MXPA00007545A - THREE-DIMENSIONAL STRUCTURES AND MODELS OF Fc RECEPTORS AND USES THEREOF - Google Patents

Abstract

Disclosed are crystals, crystal structure Fc&ggr;RIIa protein, three-dimensional coordinates of Fc&ggr;RIIa protein, and structures and models derived from the Fc&ggr;RIIa structure. Also disclosed are crystals of Fc&egr;RI protein and three-dimensional coordinates of Fc&egr;RI protein monomers and dimers derived from the Fc&ggr;RIIa structure. Also disclosed are three-dimensional coordinates of Fc&ggr;RIIIb proteins and models of Fc&ggr;RIIIb derived from the Fc&ggr;RIIa structure. The present invention also includes methods to produce such crystals, crystal structures and models. Uses of such crystals, crystal structures and models are also disclosed, including structure based drug design and therapeutic compositions.

Description

THREE-DIMENSIONAL STRUCTURES AND MODELS OF FEC RECEIVERS AND THEIR USES FIELD OF THE INVENTION The present invention relates to three-dimensional structures of Fc (FcR) receptors, including Fc? Rlla, crystalline FceRI, three-dimensional coordinates of the Fc? Rl la protein, a three-dimensional structure of Fc? Rlla, three-dimensional structures of FcR, and particularly FceRI and Fc? Rl l lb, derived from the structure of Fc? Rl la, its models, and uses of said structures and models.

BACKGROUND OF THE INVENTION Fc receptors (FcR) are a family of highly related receptors that are specific for the Fc portion of immnoglobulin (Ig). These receptors play important roles in normal immunity and resistance to infection and provide the humoral immune system with a cellular effector arm. The receptors have been defined for each of the immunoglobulin classes and as such are defined by the class of Ig to which they bind (ie, the gamma Fc receptor (Fc? R) binds gamma immunoglobulin (IgG), the epsilon Fc receptor (FceR) binds to epsilon immunoglobulin (IgE), the alpha Fc receptor (FcaR) binds to alpha immunoglobulin (IgA)). Among the Fc? R receptors, three subfamily members have been defined; Fc? RI, which is a high affinity receptor for IgG; Fc? RII, which are low affinity receptors for IgG that avidly bind to aggregated immune complexes and Fc? RIII, which are low affinity receptors that bind to immune complexes. These receptors are highly structurally related, but perform different functions. The structure and function of Fc? RI I are of interest due to their interaction with immune complexes and their association with diseases. Fc? R are expressed in most hematopoietic cells, and through the binding of IgG play an important role in the homeostasis of the immune system and host protection against infection. Fc? RI I is a low affinity receptor for IgG that essentially binds only to immune complexes of IgG and is expressed in a variety of cell types including, for example, monocytes, macrophages, neutrophils, eosinophils, platelets and B lymphocytes. Fc? RII is involved in several immune and inflammatory responses including antibody-dependent cell-mediated cytotoxicity, clearance of immune complexes, release of inflammatory mediators and regulation of antibody production. The binding of IgG to an FcγR can lead to disease indications involving regulation by FcγR. For example, purple thrombocytopenia autoimmune disease, involves tissue damage (bundles) resulting from the activation of the platelet Fc? R-dependent IgG immune complex or its destruction by Fc? R + phagocytes. In addition, it is known that several inflammatory diseases involve IgG immune complexes (eg, rheumatoid arthritis, systemic lupus erythematosus), including type I I and type III hypersensitivity reactions. Type II and type ll hypersensitivity reactions are mediated by IgG, which can activate either complement-mediated mechanisms or phagocytic effectors, which lead to tissue damage. The clarification of the structure of Fc? Rlla, FceRI, or in fact any FcR is of importance in the formulation of therapeutic reagents and diagnostics for the management of diseases. Until the discovery of the present invention, the structure and resulting mechanism through which FcγR1 regulates immune responses, was unknown. In this way, despite the general multifunctional role of Fc? Rl la, the development of useful reagents for the treatment or diagnosis of diseases was impeded by the lack of structural information of the recipient. The linear amino acid and nucleic acid sequence of Fc? Rl has been previously reported (Hibbs et al., Proc. Natl. Acad. Sci. USA, vol 85, p 2240-2244, 1988). Mutagenesis studies to identify regions of human FcγRlla (Hulett et al., Eur.J. Immunol., Vol.23, pp. 40-645, 1993; Hulett et al., J. Biol. Chem., Vol. '69 , pp. 15287-15293, 1994, and Hulett et al., J. Biol. Chem., vol.270, pp. 21188-21 194, 1995), human Fc? Rlllb (Hibbs et al., J. Immunol., vol. 152, pp. 4466, 1994; and Tamm et al., J. Biol. Chem., Vol 271, pp. 3659, 1996) and mouse Fc? RI (Hulett et al., J.

Immunol. , vol. 148, p. 1863-1868, 1991) have defined important regions of IgG by binding to Fc? R. However, information based on linear sequences can not accurately predict the three-dimensional structure of the protein and its functional domains. Huber et al., (J. Mol. Biol., Vol.302, p.1077-1083, 1993) have described the crystal formation of the neonatal rat Fc receptor protein (FcRn). Burmeister et al., (Nature, vol 372, pp. 336-343, 1994, and Nature, vol 372, pp 379-383, 1994), have described the structure of FcRn crystals. However, FcRn is closely related to the major histocompatibility protein complex and is not related to the Fc? R family of leukocyte through function or structure. In this manner, the structure of the FcRn protein is not a prognosis of the FcR structure of the present invention. FceR are expressed in mast cells, and through the binding of IgE, an inflammatory immune response is triggered, which is mainly due to the release of inflammatory mediators after degranulation of the barley cell (for example, histamine and serotonin) . The release of these mediators causes localized basal permeability and increased fluid in local tissues, including an influx of polymorphonuclear cells at the site. In this way, binding of IgE to a FceRI receptor can lead to disease indications involving the discharge of fluids from the intestines and an increased secretion of mucus and bronchial contraction, said indications typically being associated with diseases involving allergic inflammation, therefore, the clarification of the protein structure of FceRI is of great importance in the formation of therapeutic and diagnostic reagents for the management of diseases, and in particular, for the management of diseases related to allergic inflammation and other immune responses based on of Th2. As for the FcγR described above, the linear nucleic acid and amino acid sequences of human FceR I have been previously reported (Kochan et al., 1998, Nuc Acid Res. 16: 3584). Until the discovery of the present invention, however, the structure and resulting mechanism through which FceR regulates immune responses, was unknown. Thus, despite knowledge of the general action of FceRI, the development of useful reagents for the treatment or diagnosis of diseases, such as diseases associated with allergic inflammation, was impeded by the lack of structural information of the recipient. Therefore, there is a need in the art to produce three-dimensional structures and models of Fc receptors, and to use such structures and models in therapeutic strategies, such as drug design.

COMPENDIUM OF THE INVENTION The present invention relates to crystalline FcγR and crystalline FceRI, three-dimensional coordinates of the Fc ?Rlla protein, the three-dimensional structure of Fc ?Rl la, three-dimensional structures and models of Fc receptors (FcR) derived from the structure of Fc? Rl la, including FceRI and Fc? Rl l lb, and uses of such structures and models. Obtaining said crystals is an unexpected result. It is well known in the protein crystallography technique that obtaining crystals of sufficient quality to determine the structure of a protein is impossible to predict. In particular, the obtaining of crystals of sufficient quality to determine the three-dimensional structure (3-D) of Fc? R l la it has not been possible to obtain until the crystallization of Fc? R l as described in the present application. As such, the determination of the three dimensional structure of Fc? R l la has not been possible until the discovery of the present invention. Furthermore, until the discovery of the present invention, the derivation of the three-dimensional structure and models of other Fc receptor proteins (FcR) has not been possible. The inventors of the present are also the first to define the three-dimensional structure and provide three-dimensional models for the design of drugs for FceR I and Fc? R l l l b. Therefore, an object of the present invention is to provide crystals of sufficient quality to obtain a determination of the three-dimensional structure of Fc? Rl at high resolution, preferably at a resolution of about 1.8 angstrom. The present invention also includes methods for producing crystalline FcγR.

Still another object of the present invention is to provide crystals of the FceRI protein, preferably of sufficient quality to obtain a determination of the three-dimensional structure of FceRI at a high resolution. The present invention also includes methods for producing crystalline FceRI. The value of the Fc? Rl la and FceRI crystals extends beyond merely being able to obtain said crystals. The knowledge obtained with respect to the crystal structure Fc? Rl for example, has been used by the inventors herein to define the hitherto unknown tertiary structure of the Fc? Rlla protein, to modalize and derive atomic coordinates for the structure previously unknown tertiary of the FceRI protein and the hitherto unknown tertiary structure of the Fc? Rl l lb protein, and in addition can be used to modalize the hitherto unknown tertiary structure of other FcR proteins having a linear sequence of substantially related amino acid, such as for other members of the Fc? R protein family and the FcaRI protein. There are three members of the Fc? R family of proteins, Fc? RI, Fc? RII and Fc? RIII, all act as immunoregulatory molecules and all bind to IgG. The comparison of the nucleic acid and amino acid sequences of the Fc [reg] R family of receptors indicates that the receptors are highly homologous. In addition, each member of the Fc? R receptor family belongs to the Ig molecule superfamily, an assignment based on well-established criteria (Hulett et al., 1994, ibid.). In addition, Fc? RII, Fc? RI I I, Fce and FcaRI each contain Ig-like domains, indicating the similarity between these receptors. Fc? RI contains three domains of type Ig. However, the first and second Fc? RI domains are substantially homologous to the Ig-like domains of Fc? RI I, Fc? R I I, FceRI and FcaRI. Current methods of tertiary structure determination that are not based on X-ray diffraction techniques and thus do not require protein crystallization (eg, computer modeling and nuclear magnetic resonance techniques) allow the derivation and refinement of models of other Fc? R proteins, the FceRI protein and FcaRI, extrapolated from a three-dimensional structure of the Fc? Rl protein. In this way, knowledge of the three-dimensional structure of the Fc? R protein has provided a starting point for research into the structure of all these proteins. Accordingly, a second object of the present invention is to provide information regarding the structure of the Fc? Rl protein and the models, coordinated atomic and three-dimensional structures derived from other members of the Fc? R protein family, and the FceRI protein. and FcaR I. Knowledge of the three-dimensional structure of Fc? Rl la and models of other FcR provides a means to design and produce compounds that regulate immune function and inflammation in an animal, including humans (ie, structure-based drug design). ). For example, chemical compounds can be designed to block the binding of immunoglobulin to an Fc receptor protein using various computer programs and models. Another embodiment of the present invention is to provide a three-dimensional computer image of the three-dimensional structure of an FcR. Another embodiment of the present invention is to provide a computer-readable medium encoded with a group of three-dimensional coordinates selected from the group of three-dimensional coordinates represented in Table 1, three-dimensional coordinates represented in Table 2, the three-dimensional coordinates represented in Table 3, three-dimensional coordinates represented in Table 4, and the three-dimensional coordinates represented in Table 5, where, using a graphical presentation software program, the three-dimensional coordinates create an electronic file that can be visualized in a computer capable of representing said electronic file as a three-dimensional image. Accordingly, a third object of the present invention is to provide methods for using a three-dimensional FcR structure, such as Fc? Rlla, and structures, coordinates and derived models using said structure to design reagents for the treatment and diagnosis of diseases, such as the binding to or the similarity to the action of the FcR protein, the binding to or the similarity of the action of an immunoglobulin (Ig), interruption of the cellular signal transduction through an FcR protein, for example, avoiding the dimerization of two FcR proteins, or by improving cell signal transduction or binding to an FcR, for example, by improving the targeting of two FcR proteins. Knowledge of the three-dimensional structure of FcR also provides a means to design proteins that have altered beneficial functions by analyzing the structure of interactions between the individual amino acids of the protein. For example, therapeutic proteins that have enhanced binding to Ig or Ig immune complexes can be designed to be used as therapeutic compounds to prevent binding of the in mune complex to cells or to improve biological responses such as cell signal transduction after of the binding of FcR to Ig or its complexes. In this way, the recombinant soluble FcR engineered to contain improvements can be produced based on the knowledge of the three-dimensional structure. Accordingly, a fourth object of the present invention is to provide an extrapolation of the three-dimensional structure of FcR to create a recombinant protein having an altered biological activity. One embodiment of the present invention is a model of an FcR protein, wherein the model represents the three-dimensional structure of the FcR protein, wherein the structure substantially conforms to the atomic coordinates represented by Table 1. Other embodiments of the present invention are the three-dimensional structure of an Fc? Rl la protein, which substantially conforms to the atomic coordinates represented by Table 1; the three-dimensional structure of a dimeric Fc? Rlla protein, which substantially conforms to the atomic coordinates represented by Table 2; the three-dimensional structure of a monomeric FCeRI protein, which is substantially conformed to the atomic coordinates represented by Table 3; the three-dimensional structure of a dimeric FceRI protein, which conforms to the atomic coordinates represented by Table 4; the three-dimensional structure of a dimeric Fc? Rl l lb protein, which is substantially conformed to the atomic coordinates represented by Table 5 and models that represent said structures. In addition, other embodiments of the present invention relate to a group of three-dimensional coordinates of an Fc? Rl la protein, wherein said coordinates are represented in Table 1; a group of three-dimensional coordinates of a dimeric Fc? Rl protein, wherein said coordinates are represented in Table 2, a group of three-dimensional coordinates of a FceRI protein, wherein said coordinates are represented in Table 3; a group of three-dimensional coordinates of a FceRI protein, where said coordinates are represented in table 4; and a group of three-dimensional coordinates of Fc? Rlllb, wherein said coordinates are represented in Table 5. The present invention also includes methods for using said structures including the drug design based on structures and methods for deriving models and images of FcR structures. objective. Another embodiment of the present invention is a composition comprising an Fc? Rl protein in a crystalline form. Yet another embodiment of the present invention is a composition comprising a FceRI protein in a crystalline form. Another embodiment of the present invention is a method for producing Fc? Rlla crystals, which comprises combining a Fc? Rl la protein with a pH regulator of mother liquor selected from the group consisting of an acetate salt pH regulator and a sulfate pH regulator, and induce the formation of crystal to produce said crystals Fc? Rl la. The present invention also includes a method for producing FceRI crystals, which comprises combining the FceRI protein with a pH regulator of mother liquor selected from the group consisting of an acetate salt pH regulator, a pH regulator of sodium cacodylate and a pH regulator of sodium citrate, and inducing crystal formation to produce said FceRI crystals. The present invention also includes a therapeutic composition which, when administered to an animal, reduces IgG-mediated tissue damage, said therapeutic composition comprising an inhibitory compound that inhibits the activity of an FcγRlα protein, said inhibitor compound being identified by the method comprising: (a) providing a three-dimensional structure of an Fc? Rlla protein; (b) using said three-dimensional structure to design a chemical compound selected from the group consisting of a compound that inhibits the binding of the Fc? Rlla protein to IgG, a compound that substantially mimics the three-dimensional structure of the Fc? Rlla protein and a compound which inhibits the binding of the Fc? Rlla protein with a molecule that stimulates the cellular signal transduction through an Fc? Rlla protein; (c) chemically synthesizing said chemical compound; and (d) evaluating the ability of said synthesized chemical compound to reduce tissue damage mediated by IgG. Another embodiment of the present invention is a therapeutic composition that is capable of stimulating a humoral IgG immune response in an animal. Another embodiment of the present invention is a therapeutic composition that improves the therapeutic affects of an antibody, which is administered to an animal to be treated, by opsinization or Fc? R-dependent effector functions (eg, Fc? R-mediated cytotoxicity dependent on antibody, phagocytosis or release of cellular mediators) a particular disease, including, but not limited to, cancer or infectious disease (e.g., oral infections such as HIV, herpes, bacterial infections, yeast infections or infections by parasites). Said therapeutic composition includes one or more stimulating compounds that have an increased binding to IgG, improve the binding of IgG to Fc? R, improve the dimer formation of an Fc? R and / or improve signal transduction through Fc? . A method for stimulating a humoral response is also included in the present invention. The method includes the step of administering to an animal a therapeutic composition of the present invention. The present invention also includes a therapeutic composition that, when administered to an animal, reduces damage to IgG mediated tissue, said therapeutic composition comprising an inhibitory compound that inhibits the activity of an Fc? Rll lb protein, said inhibitor compound being identified by the method comprising: (a) providing a three-dimensional structure of a protein Fc? Rl l lb; (b) using said three-dimensional structure to design a chemical compound selected from the group consisting of a compound that inhibits the binding of the Fc? Rlllb protein to IgG, a compound that substantially mimics the three-dimensional structure of the Fc? Rl l lb protein and a compound that inhibits the binding of the Fc? Rl l Ib protein with a molecule that stimulates cell signal transduction through an Fc? Rlllb protein; (c) chemically synthesizing said chemical compound; and (d) evaluating the ability of said synthesized chemical compound to reduce tissue damage mediated by IgG. One embodiment of the present invention is a therapeutic composition that is capable of reducing IgE-mediated responses. Said therapeutic compositions are capable of reducing IgE-mediated responses resulting from IgE-mediated hypersensitivity, release of inflammatory modulators mediated by IgE or other biological mechanisms involved in the recruitment of inflammatory cells mediated by IgE involving the FceR protein. Said therapeutic composition of the present invention can: (1) inhibit (ie prevent, block) the binding of the FceR protein by having a FceR protein (eg, mast cells) to an IgE immune complex by interfering with the binding site of IgE of a FceR protein; (2) inhibit the precipitation of IgE or Ig E immune complexes (ie, prevent Fc: Fc interactions between two Ig E); (3) inhibit the cellular signal transduction mediated by immunoglobulin by interfering with the binding of an IgE to a cell surface receptor; and (4) inhibiting FceR mediated cell signal transduction by interfering with the binding of a cell signal induction molecule (i.e., a molecule that induces cellular signal transduction through a FceR protein) to a protein FceR. Said therapeutic compositions include one or more inhibitory compounds that inhibit the binding of IgE to the FceR protein, IgE to IgE, IgE to a cell surface receptor, or an induction molecule of cell signal to the FceR protein. Methods for reducing IgE-mediated responses, such as igE-mediated inflammation, are also included in the present invention. Another embodiment of the present invention is a therapeutic composition that is capable of stimulating a humoral IgE immune response in an animal. Yet another embodiment of the present invention is a therapeutic composition that enhances the therapeutic effects of an antibody that is administered to an animal to be treated, by opsinization or Fce R-dependent effector functions (e.g., phagocytosis or release of cellular mediators), a particular disease. Said therapeutic composition includes one or more stimulating compounds that have increased the binding to IgE, improve the binding of IgE to FceRI, improve the formation of FceRI dimer and / or otherwise improve signal transduction through FceRI. A method for stimulating a humoral immune response is also included in the present invention. The method includes the step of administering to an animal a therapeutic composition of the present invention.

BRIEF DESCRIPTION OF THE DRAWINGS Figure 1 is a scanned image of SDS-PAGE analysis of the PsFcαR protein during the purification process. Figure 2 is a scanned image of two-dimensional analysis N EPHGE of the protein PsFc? Rl la. Figure 3 illustrates Langmuir plots of the purified protein PsFc? Rl by binding to different isotypes of human immunoglobulin G Figure 4 illustrates a graphical representation of the dimer of PFc? Rl l a. Figure 5 illustrates the positions of the beta sheets in domains 1 and 2 of FcγR1la and compares amino acid sequences of the FcγRII isoforms. Figure 6 illustrates the stereo view of the Fc? Rl structure a shown in Figure 4. Figure 7 illustrates the location of amino acids involved in the binding of Fc? Rlla to IgG. Figure 8 illustrates an expanded view of an IgG binding region showing the position and side chains of the amino acids involved. Figure 9 illustrates an expanded view of the IgG binding region showing amino acids that when mutated to alanine, improve the binding of IgG to Fc? Rlla. Figure 10 illustrates an expanded view of the region of an FcγRlla monomer that contributes to the dimer interface. Figure 11 illustrates a comparison of the amino acid sequence of the Fc? Rlla protein with the amino acid sequences of the Fc? RI protein, Fc? RIIIb and FceRI. Figure 12 illustrates a comparison of the structural aspects shared by the Fc? Rlla, Fc? RI, Fc? Rlllb and FceRI proteins. Figure 13 illustrates a sequence alignment of the amino acid sequences of Fc? Rlla and FceRI. Figure 14 is an explored image illustrating a worm representation of the structure of a FceRI monomer. Figure 15 is an explored image illustrating a worm representation of the structure of a FceRI dimer. Figure 16 is a scanned image illustrating a molecular surface representation of a FceRI dimer model. Figure 17 is a schematic representation of target sites in the FcR structure for drug design. Figure 18 illustrates a sequence alignment of the amino acid sequences of Fc? Rl la and Fc? Rll lb.

DETAILED DESCRIPTION OF THE INVENTION The present invention relates to the discovery of the three-dimensional structure of Fc receptor proteins (FcR), models of said three-dimensional structures, a structure-based drug design method using said structures, the compounds identified by such methods and the use of said compounds in therapeutic compositions. More particularly, the present invention relates to novel crystals of the Fclia gamma receptor (Fc? Rlla), novel crystals of the Fc epsilon I receptor (FceRI), methods for the production of said crystals, three-dimensional coordinates of the Fc? Rlla protein. , a three-dimensional structure of the Fc? Rl protein, FcR structures and models derived from the Fc? Rlla structure, including FceRI and Fc? Rlllb, and the uses of said structure and models to derive the FcR structures and design strategies from drugs. It should also be noted that the term "an" or "an, an" as an entity refers to one or more of that entity; for example, a compound refers to one or more compounds or at least one compound. As such, the terms "a, an" (or "an, a, some, some"), "one or more" and "at least one" may be used interchangeably herein. It should also be noted that the terms "comprising", "including", and "having" can be used interchangeably. In addition, a compound "selected from the group consisting of" refers to one or more of the compounds in the list that follows, including mixtures (ie, combinations) of two or more of the compounds. In accordance with the present invention, an isolated, or pure, protein is a protein that has been removed from its natural environment. As such "isolated" and "biologically pure" do not necessarily reflect the degree to which the protein has been purified. An isolated protein of the present invention can be obtained from its natural source, it can be produced using recombinant DNA technology or it can be produced through chemical synthesis. It should also be noted that the terms "tertiary" and "three-dimensional" can be used interchangeably. It should also be noted that the reference to an "FcR protein" can also be simply dictated as "FcR" and such terms can be used to refer to the complete FcR protein, a portion of the FcR protein, such as a polypeptide and / or a monomer or a dimer of the FcR protein. When specific reference is made to a monomer or dimer, for example, such a term is typically used together with the name of the FcR protein. The production of the crystal structure of FcγR1 has been described in detail in the provisional application of E.U.A. series No. 60 / 073,972, filed on February 6, 1998. The entire description of the provisional application of E. U.A. No. 60 / 073,972 series is incorporated herein by reference in its entirety. One embodiment of the present invention includes a model of an Fc receptor, wherein the model represents a three-dimensional structure of an Fc receptor protein (FcR). Another embodiment of the present invention includes the three-dimensional structure of an FcR structure. A three-dimensional structure of an FcR protein encompassed by the present invention substantially conforms to the atomic coordinates represented in any of Tables 1 -5. According to the present invention, the use of the term "substantially conforms" refers to at least a portion of a three-dimensional structure of an FcR protein, which is sufficient and spatially similar to at least a portion of a three-dimensional configuration specific to a particular group of atomic coordinates (for example, those represented by Table 1) to allow the three-dimensional structure of the FcR protein to be modeled or calculated (ie, through molecular replacement) using the particular group of atomic coordinates as a basis to determine the atomic coordinates defining the three-dimensional configuration of the FcR protein. According to the present invention, a three-dimensional structure of a dimer of a first FcR can substantially be conformed to the atomic coordinates that represent a three-dimensional structure of a monomer of a second FcR, and vice versa. In the first case, at least a portion of the structure of the first FcR protein (ie, a monomer of the first dimer of the FcR protein) substantially conforms to the atomic coordinates representing the three-dimensional configuration of the second FcR monomer. In the second inverted case, a first monomeric FcR protein substantially conforms to at least a portion of the second FcR protein (ie, a dimer monomer of the second FcR protein). Similarly, a three-dimensional structure of a given portion or chain of a first FcR can substantially conform to at least a portion of the atomic coordinates that represent a three-dimensional configuration of a second FcR. More particularly, a structure that substantially conforms to an atomic coordinate die group is a structure in which at least about 50% of said structure has an average deviation from the square root of the mean of the squares of the instantaneous values (RMSD, for its acronym in English) less than about 1.5 A for the base structure atoms in the secondary elements in each domain, and most preferably, less than about 1.3 A for the base structure atoms in the secondary structure elements in each domain, and, more preferably, less than about 1.0 A, less than about 0.7 A, less than about 0.5 A and most preferably less than about 0.3 A for the base structure atoms in Secondary structure elements in each domain. In a very preferred mode, a structure that substantially conforms to a given group of atomic coordinates is a structure in which at least about 75% of said structure has the value recited from the average deviation of the square root of the mean of the squares of the instantaneous values (RMSD), and most preferably at least about 90% of said structure has the recited value of average deviation of the square root of the mean of the squares of the instantaneous values (RMSD), and most preferably, about 100% of said structure has the recited value of the average deviation of the square root of the mean of the squares of the instantaneous values (RMSD). In a still highly preferred embodiment, the above definition of "substantially conforms" can be extended to include atoms of amino acid side chains. As used herein, the phrase "common amino acid side chains" refers to amino acid side chains that are common both to the structure that substantially conforms to a given set of atomic coordinates and to the structure that is actually represented by said atomic coordinates. Preferably, a three-dimensional structure substantially conforming to a given group of atomic coordinates is a structure in which at least about 50% of the common amino acid side chains have an average deviation from the square root of the mean of the squares of the amino acids. instantaneous values (RMSD) less than about 1.5 A, and most preferably less than about 1.3 A, and, most preferably, less than about 1.0 A, less than about 0.7 A, less than about 0.5 A, and very preferably less than about 0.3 A. In a more preferred embodiment, a structure that substantially conforms to a given group of atomic coordinates is a structure wherein at least about 75% of the common amino acid side chains have the recited value of average deviation of the square root of the mean of the squares of the instantaneous values (RMSD), and very preferable at least about 90% of the common amino acid side chains have the recited value of the average square root deviation of the mean of the squares of the instantaneous values (RMSD), and most preferably, about 100% of the the common amino acid side chains have the recited value of the average square root deviation of the mean of the squares of the instantaneous values (RMSD). A three-dimensional structure of an FcR protein, which substantially conforms to a specific group of atomic coordinates, can be modeled through a suitable modeling computer program such as MODELER (A. Sali and TL Blundell, J. Mol. Biol. , Vol 234: 779-815, 1993 as implemented in the Insight II Homology software package (Insight II (97.0), MSI, San Diego)), using information, for example, derived from the following data: (1) the sequence of amino acid of the FcR protein; (2) the amino acid sequence of the related portions of the protein represented by the specific group of atomic coordinates having a three-dimensional configuration; and (3) the atomic coordinates of the specific configuration. A three-dimensional structure of an FcR protein, which substantially conforms to a specific group of atomic coordinates, can also be calculated through a method such as molecular replacement, which is described in detail below. A suitable three-dimensional structure of an FcR protein for use in the modeling or calculation of the three-dimensional structure of another FcR protein comprises the group of atomic coordinates represented in Table 1. The group of three-dimensional coordinates set forth in Table 1 is represented in a standard protein databank format. According to the present invention, an FcR protein selected from the group of Fc? RI, Fc? Rlla, Fc? Rllb, Fc? Rllc, Fc? Rlllb, FceRI and FcaRI has a three-dimensional structure, which substantially conforms to the group of Atomic coordinates represented by Table 1. As used herein, a three-dimensional structure can also be a very likely or important setting with a group of atomic coordinates. According to the present invention, a very probable or important adjustment refers to the adjustment that a particular FcR protein has with a group of atomic coordinates derived from that particular FcR protein. Said atomic coordinates can be derived from, for example, the crystal structure of the protein so that the coordinates determined for the Fc? Rlla structure provided herein, or from a model of the structure of the protein determined in the present for FceRI and Fc? Rll lb. For example, the three-dimensional structure of a Fc? Rlla monomeric protein, including a naturally occurring or recombinantly produced protein, substantially conforms to and is a very likely adjustment, or a major adjustment, to the atomic coordinates of Table 1. The three-dimensional structure of Fc? Rlla that was determined by the present inventors, comprises the atomic coordinates of Table 1. Also as an example, the three-dimensional structure of a FceRI protein substantially conforms to the atomic coordinates of Table 1 and both substantially it conforms to how it is a very likely adjustment with the atomic coordinates of Table 3, and the three-dimensional structure of the FceRI monomer model determined by the present inventors comprises the atomic coordinates of Table 3. This definition can be applied to other FcR proteins in a similar way. A preferred structure of an FcR protein according to the present invention substantially conforms to the atomic coordinates, and the V values and / or the thermal parameters shown in Table 1. Such values as listed in Table 1 can be interpreted by some expert in the art. A highly preferred three-dimensional structure of an FcR protein substantially conforms to the three-dimensional coordinates shown in Table 1. A highly preferred three-dimensional structure of an FcR protein is a very likely adjustment with the three-dimensional coordinates shown in Table 1. Methods for determining a substantially conformant and probable fit are within the experience of those skilled in the art and are described herein in the examples section. A preferred FcR protein having a three-dimensional structure, which substantially conforms to the atomic coordinates represented by Table 1, includes an FcR protein having an amino acid sequence that is at least about 25%, preferably at least about 30. %, preferably at least about 40%, most preferably at least about 50%, most preferably at least about 60%, most preferably at least 70%, most preferably at least about 80% and most preferably at least about 90% identical to an amino acid sequence of an Fc? Rlla protein, preferably an amino acid sequence including SEQ ID NO: 3, SEQ ID NO: 10, SEQ ID NO: 1 1 and / or SEQ ID NO: 12, through the entire length of the FcR sequence when, for example, a sequence alignment program such as the program is used. DNAsis ™ (available from Hitachi Software, San Bruno, CA) or the MacVector ™ program (available from Eastman Kodak Company, New Haven, CT) or the GC? ™ program (available from "GC?", University of Wisconsin, Madison, Wl), said alignment being performed for example, using the standard default values accompanying said alignment programs. One embodiment of the present invention includes a three-dimensional structure of the Fc? Rlla protein. A suitable three-dimensional structure of the Fc? Rl protein is substantially conformed to the atomic coordinates represented in Table 1. A suitable three-dimensional structure of Fc? Rl la is also substantially conformed to the atomic coordinates represented by Tables 2-5. A suitable three-dimensional structure of the Fc? Rlla protein also comprises a group of atomic coordinates represented in Table I. The group of three-dimensional coordinates of the Fc? Rlla protein is represented in the format of Standard Protein Data Bank. A preferred structure of the Fc? Rl protein is substantially conformed to the atomic coordinates, and the B values and / or the thermal parameters shown in Table 1 (Fc? Rl the monomeric) or Table 2 (Fc? Rl the dimeric ). Said values as listed in Table 1 can be interpreted by a person skilled in the art. A very preferred three-dimensional structure of the Fc? Rl protein has a very likely fit with the three-dimensional coordinates shown in Table 1.

One embodiment of the present invention includes a three-dimensional structure of the FceRI protein. A suitable three-dimensional structure of the FceRI protein substantially conforms to the atomic coordinates represented in Table 1, Table 2, Table 4, Table 4 or Table 5. A more suitable three-dimensional structure of the FceRI protein substantially conforms to the groups of the atomic coordinates represented in Table 3 (monomeric FceRI) or Table 4 (dimeric FceRI). A suitable three-dimensional structure of the FceRI protein also comprises the group of atomic coordinates represented in Tables 3 or 4. The three-dimensional coordinate groups of the FceRI protein are represented in the Standard Protein Data Bank format. Said coordinates as listed in Tables 1-5 can be interpreted by a person skilled in the art. A highly preferred three-dimensional structure of the FceRI protein has a likely fit with the three-dimensional coordinates shown in Tables 3 or 4. One embodiment of the present invention includes a three-dimensional structure of the Fc? Rlllb protein. A suitable three-dimensional structure of the Fc? Rll protein is substantially conformed to the atomic coordinates represented in Table 1, Table 2, Table 3, Table 4 or Table 5. A three-dimensional structure of the Fc? Rlllb protein that is still highly adequate is substantially It conforms to the group of atomic coordinates represented in Table 5. An adequate three-dimensional structure of the Fc? Rl llb protein also comprises the group of atomic coordinates represented in Table 5. The three-dimensional coordinate groups of the Fc? Rl ll b protein they are represented in the standard protein databank format. A highly preferred three-dimensional structure of the Fc? Rll lb protein has a very likely fit with the three-dimensional coordinates shown in Table 5. A three-dimensional structure of any FcR protein can be modeled using methods generally known in the art based on information obtained from From the analysis of a crystal of Fc? Rl la, and of other FcR structures, which are derived from a crystal of Fc? Rl la. The example section, which is presented below, describes the production of a FceRI crystal, the production of an Fc? Rlla crystal, the three-dimensional structure of an Fc? Rlla protein monomer and a dimer derived from the FceRI crystal, and the model of the three-dimensional structure of a monomer and dimer of the Fc? Rl protein using the methods generally known in the art, based on the information obtained from analysis of an Fc? Rlla crystal. It is an embodiment of the present invention that the three-dimensional structure of a crystalline FcR, such as the crystalline Fc? Rl, can be used to derive the three-dimensional structure of any other FcR, such as the FceRI described herein. Subsequently, the three-dimensional structure derived from said FcR (eg, FceRI) derived from the crystal structure of Fc? Rlla can be used to derive the three-dimensional structure of another FcR, such as Fc? RIII. Therefore, the novel discovery of the present of the crystalline Fc? Rlla and the three-dimensional structure of Fc? Rlla allows one skilled in the art to derive now the three-dimensional structure and its models, of any FcR. The derivation of the structure of any FcR can now be achieved even in the absence of having crystal structure data of the other FcR, and when the crystal structure of another FcR is available, the modeling of the three-dimensional structure of the new FcR can be refined using the knowledge already obtained from the structure of Fc? Rlla. It is an advantage of the present invention that, in the absence of crystal data of other FcR proteins, the three-dimensional structures of other FcR proteins can be modeled, taking into account the differences in the amino acid sequence of the other FcR. In fact, the recent report of the crystallization of monomeric FceRI and the publication of a receptor model (Garman et al., December 23, 1998, Cell 95: 951-961) subsequent to the priority presentation dates of the present application has confirmed that the monomeric FceRI protein determined by the inventors of the present invention comprising the atomic coordinates represented in Table 3, has all the raw structural aspects of the three-dimensional structure of crystalline FceRI reported by Garman et al. Although the atomic coordinates of the Garman structure and other crystalline FceRI are not currently and publicly available, a review of the structural representations and discussion by Garman et al. Indicates that the three-dimensional structure of the crystalline FceRI is expected to substantially conform to the coordinates Atoms represented in Table 3. In addition, the novel discoveries of the present invention allow drug design based on the structure of compounds that affect the activity of virtually any FcR, and in particular, of Fc? R and FceRI. The crystals are derivatized with heavy atom compound such as complexes or salts of Pt, Hg, Au and Pb and the X-ray diffraction data were measured for native and derivatized crystals. Differences in diffraction intensities for native crystals and derivatized crystals can be used to determine phases for these data through the methods of MI R (multiple isomorphic replacement) or SI RAS (individual isomorphic replacement with anomalous diffusion). The Fourier transformation of this data produces a low resolution electronic density map for the protein. This electron density can be modified through imaging techniques. A molecular model for the protein is then placed in the electron density. This initial (partial) structure can be refined using a computer program (XPLOR) by modifying the parameters that describe the structure to minimize the difference between the measured and calculated diffraction patterns, while simultaneously restricting the model to conform to known properties Geometric and chemical proteins, new phases and in this way a new electron density map can be calculated for the protein.Using this map for a guide, the molecular model of the structure can be manually improved. give the structure of the protein, represented here for Fc? Rlla as a group of atomic coordinates in Table 1. One embodiment of the present invention includes a three-dimensional structure of the Fc? Rl la protein, wherein the atomic coordinates of the protein Fc? Rlla are generated by the method comprising: (a) providing the Fc protein ? Rlla in crystalline form; (b) generating an electron density map of the crystalline Fc? Rlla protein; and (c) analyze the electron density map to produce the atomic coordinates. In accordance with the present invention, a three-dimensional structure of the Fc? Rl protein of the present invention can be used to derive a model of the three-dimensional structure of another FcR protein (i.e., a structure to be modeled). As used herein, a "structure" of a protein refers to the components and manner of arrangement of the components to constitute the protein. As used herein the term "model" refers to a representation in a tangible medium of the three-dimensional structure of a protein, polypeptide or peptide. For example, a model can be a representation of the three-dimensional structure in an electronic file, on a computer screen, on a piece of paper (that is, on a two-dimensional medium), and / or as a figure of spheres and rods. The physical three-dimensional models are tangible, and include, but are not limited to, rod models and space fill models. The phrase "model imaging on a computer screen" refers to the ability to express (or represent) and manipulate the model on a computer screen using appropriate computer hardware and software technology known to those skilled in the art. . Such technology is available from a variety of sources including, for example, Evans and Sutherland, Salt Lake City, Utah, and Biosym Technologies, San Diego, CA. The phrase "provide an image of the model" refers to the ability to generate a "hard copy" of the model. The printed copies include both moving and still images. The images and illustrations on the computer screen of the model can be displayed in a format number including space fill representations, a-carbon footprints, ribbon diagrams (see, for example, Figure 14, which is a model of two-dimensional ribbon diagram of a three-dimensional structure of the human FceRI protein) and electron density maps. Suitable FcR structures for the model using a method of the present invention include any FcR protein, polypeptide or peptides, including monomers, dimers and multimers of an FcR protein, which is substantially and structurally related to an Fc? Rlla protein. An FcR structure that is substantially and structurally related to an Fc? Rlla protein includes a target FcR structure having an amino acid sequence that is at least about 25%, preferably at least 30%, preferably at least about 36% , most preferably at least about 40%, preferably at least about 50%, most preferably at least about 60%, most preferably at least about 70%, most preferably at least about 80% and most preferably at least less than 90% identical to an amino acid sequence of an Fc? Rl protein, preferably an amino acid sequence including SEQ ID NO: 3, SEQ ID NO: 10, SEQ ID NO: 1 1, SEQ ID NO: 12, SEC ID NO: 14 and / or SEQ ID NO: 15, crosses the length of the sequence of the target FcR structure when using, for example, a sequence alignment program such as the DNAsis ™ program (available from H). itachi Software, San Bruno, CA) or the MacVector ™ program (available from Eastman Kodak Company, New Haven, CT), or the GC? ™ program, (available from "GC?", University of Wisconsin, Madison, Wl), said alignment being performed, for example, using the standard default values that accompany said alignment programs. Preferred target FcR structures for modeling include proteins comprising amino acid sequences that are at least about 50%, preferably at least about 60%, preferably at least about 70%, most preferably at least about 80%, most preferably at least about 90%, and most preferably at least about 95%, identical to the sequence of amino acid SEQ ID NO: 3, SEQ ID NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEC ID NO: 12, or SEQ ID NO: 13, when compared to preferred regions of the sequence, such as the amino acid sequence for domain 1 or domain 2 of any of the amino acid sequences, when a program of DNA alignment described herein to align the amino acid sequences. A highly preferred target FcR structure for modeling includes a structure comprising an FcγRI protein, FcγRlla, FcγRllb, FcγRllc, FcγRlllb, FceRI or Fca, most preferably a structure comprising the amino acid sequence SEC ID NO: 3, SEQ ID NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEQ ID NO : 12, or SEQ ID NO: 13, and most preferably a structure consisting of the amino acid sequence SEQ ID NO: 3, SEQ ID NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEQ ID NO: 12, or SEQ ID NO: 13. Preferred target FcR structures for modeling also include, but are not limited to, Fc receptor protein shunts, such as an Fc receptor having one or more substituted, deleted or added amino acid residues (referred to herein as Fc receptor mutants). ), or proteins encoded by natural allelic variants of a nucleic acid molecule encoding an Fc receptor. A preferred Fc receptor protein for modeling includes Fc? Rlla? Tm (ie, an Fc? Rlla protein from which the transmembrane domain has been deleted), and natural allelic mutants or variants of a nucleic acid molecule that encodes the Fc? RI, Fc? Rlla, Fc? Rllb, Fc? Rllc, Fc? Rlllb, FceRI, FcaRI protein. Very preferred Fc receptor proteins for modeling include Fc receptor proteins having an amino acid sequence including SEQ ID NO: 3, SEQ ID NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEQ ID NO: 12, or SEQ ID NO: 13, or mutants or natural allelic variants of SEQ ID NO: 3, SEQ ID NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEQ ID NO: 12, or SEQ ID NO: 13 . According to the present invention, an amino acid sequence for Fc? Rllb is represented herein as SEQ ID NO: 5, an amino acid sequence for Fc? Rllc is represented herein as SEQ ID NO: 6, an amino acid sequence for Fc? RI is represented herein as SEQ ID NO: 7, an amino acid sequence for Fc? RIII is represented herein as SEQ ID NO: 8, an amino acid sequence for FceRI is represented herein as SEQ ID NO: 9 and as set forth in Figure 13, and an amino acid sequence for FCaRI is represented herein as SEQ ID NO: 13. It should be noted that the nucleotide and amino acid sequences for all known prior FcRs are known and are publicly available. Preferred allelic variants for modeling include, but are not limited to, allelic variants FcγRlla having a glutamine at residue 27 of SEQ ID NO: 3 and an arginine at the residue of SEQ ID NO: 3, represented herein as SEQ ID NO. NO: 10; a tryptophan at residue 27 of SEQ ID NO: 3 and a histidine at residue 131 of SEQ ID NO: 3, represented herein as SEQ ID NO: 11; or a tryptophan in residue 27 of SEQ ID NO: 3 and an arginine in residue 131 of SEQ ID NO: 3, represented herein as SEQ ID NO: 12. As used herein, a "natural allelic variant" is refers to alternative forms of a gene that occupies corresponding sites on homologous chromosomes. Allelic variants typically encode proteins that have activity similar to that of the protein encoded by the gene with which they are being compared. Allelic variants may also comprise alterations in the 5 'or 3' untranslated regions of the gene (eg, in regulatory control regions). Allelic variants are well known to those skilled in the art and can be expressed to be found within a given group of genes encoding an Fc receptor in a given animal species. As used herein, "mutants of a nucleic acid molecule encoding an Fc receptor" refer to nucleic acid molecules modified by insertions, deletions and / or nucleotide substitutions. Preferably, a mutant of an Fc receptor nucleic acid molecule comprises modifications such that the protein encoded by the mutant of an Fc receptor nucleic acid molecule (i.e., a protein mutant of the Fc receptor) has one or more epitopes which can be activated by an immune or humoral response against a non-mutated Fc receptor protein. Most preferably, the nucleic acid molecule encoding a mutant Fc receptor protein can form a stable hybrid with a nucleic acid sequence encoding a non-mutated Fc receptor nucleic acid molecule under severe hybridization conditions. Still most preferably, the nucleic acid molecule encoding a mutant Fc receptor protein can form a stable hybrid, under severe hybridization conditions, with a nucleic acid sequence encoding an amino acid sequence including SEQ ID NO: 3, SEQ ID NO. NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 1 1, SEQ ID NO: 12, or SEQ ID NO: 13. As used herein, severe hybridization conditions refer to standard hybridization conditions under which nucleic acid molecules are used to identify similar nucleic acid molecules. Such standard conditions are described in, for example, Sambrook et al., Molecular Cloning: A Laboratory Manual, Cold Spring Harbor Labs Press, 1989. Sambrook et al., Ibid. , which is incorporated herein by reference in its entirety (see specifically, pages 9.31 -9.62, 1 1 .7 and 11 .45-1 1.61). In addition, formulas for calculating appropriate hybridization and washing conditions to achieve hybridization that allow varying degrees of nucleotide misadaptation are described in, eg, Meinkoth et al., 1984, Anal. Biochem. 138, 267-284; Meinkoth et al., Ibid, which is hereby incorporated by reference in its entirety. Most particularly, the severe hybridization conditions as illustrated herein, refer to conditions that allow the isolation of nucleic acid molecules having at least about 70% nucleic acid sequence identity with the nucleic acid molecule that is being used to place a probe to identify or isolate the hybridization reaction, more particularly at least about 75%, and most particularly about 80%. These conditions will vary, depending on the DNA: RNA or DNA: DNA hybrids that are being formed. The melting temperatures calculated for the DNA: DNA hybrids are 10 ° C lower than for the DNA: RNA hybrids. In particular embodiments, the severe hybridization conditions for the DNA: DNA hybrids include hybridization at an ionic strength of 0.1 X SSC (0.157 M Na +) at a temperature between about 20 ° C and about 35 ° C., preferably between about 28 ° C and about 40 ° C and most preferably between about 35 ° C and about 45 ° C. In particular embodiments, the severe hybridization conditions for DNA: RNA hybrids include hybridization at an ionic strength of (0.157 M Na ') at a temperature between about 30 ° C and about 45 ° C, preferably between about 38 ° C. C and about 50 ° C, and still most preferably between about 45 ° C and 55 ° C. These results are based on calculations of a melting temperature for molecules greater than about 100 nucleotides, 0% formamide and a G + C content of about 50%. Alternatively, Tm can be calculated empirically as established in Sambrook et al., Supra, p. 1 1 .55 to 1 1 .57. A model of the present invention can be derived using conserved structural aspects between the known three-dimensional structure of an FcR protein, such as FcγRI, and another target FcR structure. Such structural aspects include, but are not limited to, the amino acid sequence, conserved disulfide bonds, and β-fiiaments or β-sheets that are highly conserved in members of the immunoglobulin superfamily. For example, Figures 5, 11 and 12 illustrate the ratio of ß-filaments to the linear amino acid sequence of several Fc receptor proteins. Preferably, a model of the present invention is derived starting with the base structure of the three-dimensional structure of the Fc? Rl la protein. Then, the individual residues are replaced according to the amino acid sequence of the target FcR structure in residues that differ from the amino acid sequence of an Fc? Rlla protein. Care must be taken that the replacement of waste does not disturb the tertiary structure of the base structure. Although methods to model target FcR structures are generally known in the art, the present invention provides the first three-dimensional structure of the Fc? Rl protein and the first three-dimensional structures of proteins substantially related to a member of the Fc? Receptor family. R, and an Fc? Rl l lb. In this manner, the present invention provides essential information for producing accurate and, therefore, useful models of a member of the Fc [reg] R family of receptors, the FceRI receptor and the FcaRI receptor. As discussed above, once the three-dimensional structure of a second FcR has been derived from a determined three-dimensional structure of a first FcR such as Fc? Rlla described herein, the second three-dimensional structure of FcR can be used to derive (i.e. , model or calculate) the three-dimensional structure of another FcR. In accordance with the present invention, a structure can be modeled using techniques generally described, for example, by Sali, Current Opinions in Biotechnology, vol. 6, p. 437-451, 1995, and algorithms can be implemented in program packages such as Homology 95.0 (in the Insight II program, available from Biosym / MSI, San Diego, CA). The use of Homology 95.0 requires an alignment of an amino acid sequence of a known structure having a known three-dimensional structure with an amino acid sequence of a target structure to be modeled. The alignment may be a pairwise alignment or a multiple sequence alignment including another related sequence (eg, using the method generally described by Rost, Meth. Enzymol., Vol 266, pp. 525-539, 1996) to improve the accuracy. Structurally conserved regions can be identified by comparing related structural aspects, or by examining the degree of sequence homology between the known structure and the target structure. Certain coordinates for the target structure are assigned using known structures from the known structure. The coordinates for other regions of the target structure can be generated from fragments obtained from known structures such as those found in the Protein Data Bank maintained by Brookhaven National Laboratory, Upton, NY. The conformation of side chains of the target structure can be assigned with reference what is sterically permissible and using a collection of rotamers and their frequency of occurrence (as generally described by Ponder and Richards, J. Mol. Biol., Vol. , page, 775-791, 1987). The resulting model of the target structure can be refined by molecular mechanisms (as modalized in the Discover program, available from Biosym / MSI) to ensure that the model is chemically and conformationally reasonable. Accordingly, one embodiment of the present invention is a method for deriving a model of the three-dimensional structure of a target FcR structure, the method comprising the steps of: (a) providing an amino acid sequence of an Fc? Rlla protein and a sequence amino acid sequence of a target FcR structure, (b) identify structurally conserved regions shared between the Fc? Rlla amino acid sequence and the amino acid sequence of the target FcR structure; (c) determining atomic coordinates for the target FcR structure by assigning said structurally conserved regions of the target FcR structure to a three-dimensional structure using a three-dimensional structure of an Fc? Rlla protein based on atomic coordinates substantially conforming to the atomic coordinates represented in the Table 1, to derive a model of the three-dimensional structure of the amino acid sequence of target structure. A model according to the present invention has been previously described here. Preferably, the model comprises a computer model. The model can further comprise the step of electronically simulating structural assignments to derive a computer model of the three-dimensional structure of the amino acid sequence of the target structure. Suitable target structures for modeling include Fc receptor proteins, polypeptides and peptides described herein, including monomers and dimers of said receptors. Preferred amino acid sequences for modeling are described herein. Another embodiment of the present invention is a method for deriving a computer model of the three-dimensional structure of an objective FcR structure for which a crystal has been produced (referred to herein as a "crystallized target structure"). A suitable method for producing said model includes the method comprising molecular replacement. Molecular replacement methods are generally known to those skilled in the art (generally described by Brunger, Meth. Enzym., Vol 276, pp. 558-580, 1997; Navaza and Saludjian, Meth. Enzym., Vol. 276, pp. 581-594, 1997, Tong and Rossmann, Meth. Enzym., vol.276, pp. 594-61 1, 1997, and Bentley, Meth. Enzym., vol.276, pp. 711-619, 1997, each of which is incorporated herein by reference in its entirety), and are made in a software program including, for example, XPLOR. According to the present invention, the X-ray diffraction data is collected from the crystal of a crystallized target structure. The X-ray diffraction data is transformed to calculate a Patterson function. The Patterson function of the crystallized target structure is compared to a Patterson function calculated from the known structure (referred to herein as a search structure). The Patterson function of the crystallized objective structure is rotated on the Patterson function of the search structure to determine the correct orientation of the objective structure crystallized in the crystal. The translation function is then calculated to determine the location of the target structure with respect to the crystal axes. Once the crystallized target structure has been correctly placed in the unit cell, the initial phases for the experimental data can be calculated. These phases are necessary to calculate a map of electron density from which structural differences can be observed and for the refinement of the structure. Preferably, the structural aspects (e.g., amino acid sequence, conserved disulfide bonds, and β-filaments or β-sheets) of the search molecule are related to the crystallized target structure. Preferably, a crystallized target FcR structure useful in a molecular replacement method according to the present invention has an amino acid sequence that is at least about 25%, preferably at least about 30%, most preferably at least about 40%, most preferably at least about 50%, most preferably at least about 60%, most preferably at least about 70%, most preferably at least about 80%, and most preferably at least about 90% identical to the amino acid sequence of the search structure (for example, Fc? Rlla), when two amino acid sequences are compared using a DNA alignment program described herein. A preferred search structure of the present invention includes an FcγRl protein which comprises an amino acid sequence including SEQ ID NO: 3, SEQ ID NO: 10, SEQ ID NO: 1 1, SEQ ID NO: 12, SEC ID NO: 14 or SEQ ID NO: 15. A highly preferred search structure of the present invention includes an Fc? Rl protein which has a three-dimensional structure that substantially conforms to the atomic coordinates listed in Table 1. Preferably, a Patterson function of the Fc? Rl crystal protein is derived from the X-ray diffraction of an Fc? Rl crystal of the present invention. A FcR target structure for use in a strategy molecular replacement of the present invention include Fc? RI, Fc? RLLB, Fc? Rl lc, Fc? RI I I, FceRI and / or FcåRI, and most preferably FceRI and Fc? Rlllb. A preferred embodiment of the present invention includes a method to derive a three dimensional structure of a crystallized target FcR structure (ie, one FcR protein crystallized), said method comprising the steps of: (a) comparing the Patterson function of FcR structure crystallized target with the Patterson function of the Fc? Rl protein the crystalline to produce an electron density map of said crystallized target FcR structure; and (b) analyzing the electron density map to produce the three-dimensional structure of the target crystallized FcR structure. Another embodiment of the present invention is a method for determining a three-dimensional structure of an objective structure, wherein the three-dimensional structure of the target FcR structure is not known. Said method is useful for identifying structures that are related to the three-dimensional structure of an Fc? Rlla protein based solely on the three-dimensional structure of the target structure. In this way, the method of the present allows the identification of structures that do not have a high amino acid identity with an Fc? Rlla protein, but that share similarities of three-dimensional structure. A preferred method for determining a three-dimensional structure of an objective FcR structure comprises: (a) providing an amino acid sequence of an objective structure, wherein the three-dimensional structure of the target structure is not known; (b) analyzing the fold pattern of the amino acid sequence in a three-dimensional conformation through bending recognition; and (c) comparing the fold pattern of the target structure amino acid sequence with the three-dimensional structure of the Fc? Rl la protein to determine the three-dimensional structure of the target structure, wherein the three-dimensional structure of the Fc? Rlla structure substantially it conforms to the atomic coordinates represented in Table 1. Preferred methods for bending recognition include the methods generally described by Jones, Curr. Opinion Struc. Biol., Vol. 7, p. 377-387, 1997. Said bending can be analyzed based on hydrophobic and / or hydrophilic properties of an objective structure. One embodiment of the present invention includes a three-dimensional computer image of the three-dimensional structure of an FcR protein. The structures suitable for producing three-dimensional computer images are described herein. Preferably, a computer image is created so that a structure substantially conforms to the three-dimensional coordinates listed in Table 1. A computer image of the present invention can be produced using any suitable software program, including, but not limited to MOLSCRI PT 2.0 (Avatar Software AB, Heleneborgsgatan 21 C, SE-1 1731 Stockholm, Sweden), the presentation O program graphic (Jones et al., Acta Crystallography, col.A47, page 1 1 0, 1 991), or the graphic representation program G RASP. Suitable computer hardware useful for producing an image of the present invention is known to those skilled in the art. Preferred computer hardware includes a Silicon Graphics Workstation station. Another embodiment of the present invention relates to a computer-readable medium encoded with a group of three-dimensional coordinates selected from the group of three-dimensional coordinates represented in Table 1, the three-dimensional coordinates represented in Table 2, the three-dimensional coordinates represented in the Table 3, the three-dimensional coordinates represented in Table 4, and the three-dimensional coordinates represented in Table 5, where, using a software program of graphical presentation, the three-dimensional coordinates create an electronic file that can be visualized in a computer capable of represent said electronic asset as a three-dimensional image. Preferably, the three-dimensional structure is of an FcR protein selected from the group of Fc? R l la, FceRI, and Fc? R l l l b. In yet another embodiment of the present invention, it relates to a computer readable medium encoded with a group of three-dimensional coordinates of a three-dimensional structure, which substantially conforms to the three-dimensional coordinates represented in Table 1., where, using a software program of graphic representation, the group of three-dimensional coordinates create an electronic file that can be visualized in a computer capable of representing said electronic file as a three-dimensional image. Preferably, the three-dimensional structure is of an FcR protein selected from the group of FcγRI, FcΔRl la, FcΔRlbL, FcγRllc, FcγRI, FceRI and FcaRI. Another embodiment of the present invention relates to a two-dimensional image of an FcR, including those illustrated in Fig. 4, Fig. 6, Fig. 7, Fig. 8, Fig. 9, Fig. 10, Fig. 14, Fig. 15 or Fig. 16. Most of these Figures were designed with MOLSCRIPT 2.0 (Avatar Software AB, Heleneborgsgatan 21 C, SE-1 171 Stockholm, Sweden). One embodiment of the present invention includes an image of the FcR protein that is generated when a group of three-dimensional coordinates comprising the three-dimensional coordinates represented in Table 1 are analyzed in a computer using a graphical software program to create an electronic file of said image and visualize said electronic file in a computer capable of representing an electronic file as a three-dimensional image. The appropriate graphic software representation programs include MOLSCRI PT 2.0, O and GRASP. A suitable computer to view said image includes a Silicon Graphics Workstation station. The structures and models suitable for forming images are described herein. Preferably, the three-dimensional structures and / or the models are of an FcR protein selected from the group of FcγRI, FcγRI, FcγRllb, FcγRllc, FcγRII I, FceRI and FcaRI. The present invention also includes a three-dimensional model of the three-dimensional structure of a target structure including the FcγRI protein, the FcγRlla protein, the FcγRllb protein, the FcγRlc protein, the Fcαl protein, the FceRI protein, and the FcaRI protein, said three-dimensional model being produced through the method comprising: (a) providing amino acid sequences of an Fc? Rlla protein and an amino acid sequence of a target FcR structure; (b) identifying structurally conserved regions shared between the amino acid sequence Fc? Rl la and the amino acid sequence of the target FcR structure; (c) determining atomic coordinates for the FcR protein by assigning the structurally conserved regions of the target FcR structure to a three-dimensional structure using a three-dimensional structure of an Fc? Rl protein based on atomic coordinates that substantially conform to the atomic coordinates represented in Table 1 to derive a model of the three-dimensional structure of the amino acid sequence of the target FcR structure. Preferably, the model comprises a computer model. Preferably, the method further comprises the step of electronically simulating the structural assignments to derive a computer model of the three-dimensional structure of the amino acid sequence of the target FcR structure. The preferred amino acid sequences of the FcγRI protein, the FcγRllb protein, the FcγR1c protein, the FcγRllb protein, and the FceRI protein are described herein. One embodiment of the present invention includes a method for producing Fc? Rl la crystals, which comprises combining the Fc? Rlla protein with a mother liquor and inducing crystal formation to produce the Fc? Rl la crystals. Another embodiment of the present invention includes a method for producing FceRI crystals, which comprises combining the FceRI protein with a mother liquor and inducing crystal formation to produce FceRI crystals. Although the production of Fc? Rl la and FceRI crystals is specifically described herein, it should be understood that such processes as described herein, can be adapted by those skilled in the art to produce crystals of other Fc receptors (FcR), particularly Fc. RI, Fc? Rl lb, Fc? Rllc, Fc? Rlllb and FcaRI, are three-dimensional structures of which are also encompassed by the present invention. Preferably, the FcγRlα crystals are formed using a solution containing an FcγRlla protein scale of about 1 mg / ml to about 20 mg / ml, preferably from about 2 mg / ml to about 15 mg / ml, and still most preferably from about 3 mg / ml to about 6 mg / ml of the Fc? Rlla protein in a mother liquor, with 3 mg / ml to 6 mg / ml of the Fc? Rl protein being most preferred in a liquor mother. Preferably, the crystals are formed using drops containing from about 1 μg to about 30 μg, preferably from about 5 μg to about 25 μg, and most preferably from about 4.5 μg to about 9 μg of the FcαRlla protein per drop of 3 μl. A suitable mother liquor of the present invention comprises an acetate salt pH regulator. A preferred acetate salt pH regulator of the present invention comprises ammonium acetate. The concentration of ammonium acetate in the pH regulator before crystallization can vary from about 100 mM to about 500 mM ammonium acetate. Preferably, the concentration of ammonium acetate in the pH regulator ranges from about 150 mM to about 300 mM ammonium acetate. Most preferably, the concentration of ammonium acetate in the pH regulator is 200 mM ammonium acetate. A suitable acetate salt pH regulator preferably includes a pH regulator having a pH of from about 5 to about 7, preferably from about 5.5 to about 6.5 and most preferably a pH of about 5.6. Preferably, the pH of an acetate salt pH regulator of the present invention is controlled using sodium citrate. An appropriate acetate salt pH regulator contains sodium citrate at a concentration of about 0.01 M sodium citrate, preferably 0.05 M sodium citrate and most preferably 0.1 M sodium citrate. A suitable acetate salt pH regulator contains any polyethylene glycol (PEG), PEG 4000 being highly preferred. Suitable concentrations of PEG 4000 in an acetate salt pH regulator of the present invention include a concentration of about 20%, preferably about 25% and most preferably about 30% of PEG 4000 Another suitable mother liquor of the present invention comprises a sulfate pH regulator. A preferred sulfate pH regulator of the present invention comprises lithium sulfate. The concentration of lithium sulfate in the pH regulator before crystallization can vary from about 100 mM to about 2.5 M lithium sulfate. Preferably, the concentration of lithium sulfate in the pH regulator ranges from 500 mM to about 2 M lithium sulfate. Most preferably, the concentration of lithium sulfate in the pH regulator is about 1.5 M lithium sulfate. A suitable sulfate pH regulator preferably includes a pH regulator having a pH value of from about 5 to about 9, preferably from about 6 to about 8, and most preferably a pH of about 1.5. Preferably, the pH value of a sulfate pH regulator of the present invention is controlled using HEPES. A suitable sulfate pH regulator contains H EPES at a concentration of about 0.01 M H EPES, preferably 0.05 M HEPES and most preferably 0.01 M H EPES. The supersaturated solutions of the Fc? Rl protein can be induced to crystallize through various methods including, but not limited to, vapor diffusion, liquid diffusion, intermittent crystallization, constant temperature and temperature induction, or a combination thereof. . Preferably, the supersaturated solutions of the Fc? Rlla protein are induced to crystallize through vapor diffusion (i.e., pendant drop method). In a vapor diffusion method, an Fc? Rl protein is combined with a mother liquor of the present invention which will make the Fc? Rl protein solution supersaturated and form Fc? Rl crystals at a constant temperature. Steam diffusion is preferably carried out at a controlled temperature in the range from about 15 ° C to about 30 ° C, preferably from about 20 ° C to about 25 ° C and most preferably at a constant temperature of about 22 ° C. In a preferred embodiment, the present invention includes a method for producing Fc? Rl la crystals, comprising the steps of: (a) preparing a solution of about 3 mg / ml of an Fc? Rlla protein in a pH regulator of acetate salt to form a supersaturated formulation, wherein the pH regulator comprises about 200 mM ammonium acetate, about 100 mM sodium citrate and about 30% PEG 4000 and has a pH of about 5.8; (b) dripping about 3 μl drops of the supersaturated formulation onto a coverslip and inverting it over a cavity containing about 1 ml of the acetate salt pH buffer; and (c) incubating until the crystals of Fc? Rl la form. In another preferred embodiment, the present invention includes a method for producing Fc? Rlla crystals, comprising the steps of: (a) preparing a solution of about 3 mg / ml of an Fc? Rlla protein in a sulfate pH buffer to form a supersaturated formulation, wherein the pH regulator comprises about 0.5 MH EPES and about 1.5 M lithium sulfate and has a pH of about 7.5; (b) dripping about 3 μl drops of the supersaturated formulation onto a coverslip and inverting this over a cavity containing about 1 ml of the sulfate pH regulator and (c) incubating until crystals of Fc? Rl la form. As discussed above, another embodiment of the present invention is a method for producing FceRI crystals and the FceRI crystals produced there through. Preferably, the FceRI crystals are formed using a solution containing a FceRI protein scale of about 1 mg / ml to about 20 mg / ml, preferably from about 2 mg / ml to about 15 mg / ml, and still very preferably from about 3 mg / ml to about 6 mg / ml of the FceRI protein in a mother liquor, 3 mg / ml and 6 mg / ml of the FceRI protein being most preferred in a mother liquor. Preferably, the crystals are formed using drops containing from about 1 μg to about 30 μg, preferably from about 5 μg to about 25 μg, and most preferably from about 4.5 μg to about 9 μg of the FceRI protein per 3 μl of drop. A suitable mother liquor of the present invention comprises an acetate salt pH regulator. A preferred acetate salt pH regulator of the present invention comprises calcium acetate. The concentration of calcium acetate in the pH regulator before crystallization can vary from about 100 mM to about 500 mM calcium acetate. Preferably, the concentration of calcium acetate in the pH regulator ranges from about 150 mM to about 300 mM calcium acetate. Most preferably, the concentration of calcium acetate in the pH regulator is 200 mM calcium acetate. A suitable acetate salt pH regulator preferably includes a pH regulator having a pH value of about 5.5 to about 7.5, most preferably about 6.0 to about 7.0, and preferably a pH value of about 6.5. Preferably, the pH of an acetate salt pH regulator of the present invention is controlled using sodium cacodylate. An appropriate acetate salt pH regulator contains sodium cacodylate at a concentration of about 0.01 M sodium cacodylate, preferably 0.05 M sodium cacodylate and most preferably 0.1 M sodium cacodylate. A suitable acetate salt pH regulator contains any polyethylene glycol (PEG), with PEG 8000 being very preferred. Suitable concentrations of PEG 8000 in an acetate salt pH regulator of the present invention include a concentration of about 10% p. / v, preferably about 15% and most preferably about 20% w / v PEG 8000. Another suitable mother liquor of the present invention comprises a pH regulator, which includes sodium cacodylate together with 2-propanol and glycol polyethylenic A preferred sodium cacodylate pH buffer of the present invention comprises a concentration of sodium cacodylate in the pH regulator prior to the crystallization of about 0.01 M sodium cacodylate, preferably 0.05 M sodium cacodylate and most preferably 0.1 M sodium cacodylate. A suitable sodium cacodylate pH buffer preferably includes a pH regulator having a pH value of about 5 to about 7., preferably from about 5.5 to about 6.5 and most preferably a pH from about 5.5 to about 6.0. A pH regulator of suitable sodium cacodylate contains 2-propanol at a concentration of about 5% v / v, preferably 7% v / v and most preferably 10% v / v. A pH regulator of suitable sodium cacodylate contains any polyethylene glycol (PEG), with PEG 4000 being very preferred. Suitable concentrations of PEG 4000 in an acetate salt pH regulator of the present ntion include a concentration of about 10% p. / v, preferably about 15% and most preferably about 20% w / v of PEG 4000. Another suitable mother liquor of the present ntion comprises a pH regulator of sodium citrate, which includes trisodium citrate dihydrate together with sodium cacodylate and 2-propanol. A preferred sodium citrate pH regulator of the present ntion comprises a concentration of trisodium citrate dihydrate in the pH buffer prior to the crystallization of about 0.05 M trisodium citrate dihydrate, most preferably 0.1 M trisodium citrate dihydrate and preferably 0.2 M trisodium citrate dihydrate. A suitable sodium citrate pH regulator preferably includes a pH regulator having a pH value of from about 5.5 to about 7, preferably from about 6.0 to about 7.0, and most preferably a pH of about 6.5. A preferred sodium citrate pH regulator of the present ntion comprises a concentration of sodium cacodylate at a pH concentration prior to the crystallization of about 0.01 M sodium cacodylate, preferably 0.05 M sodium cacodylate and most preferably 0.1 M sodium cacodylate. The suitable sodium citrate pH regulator contains 2-propanol at a concentration of about 15% v / v, preferably 20% v / v and most preferably 30% v / v. The supersaturated solutions of the FceRI protein can be induced to crystallize through various methods including, but not limited to, vapor diffusion, liquid diffusion, intermittent crystallization, constant temperature and temperature induction, or a combination thereof. Preferably, the supersaturated solutions of the FceRI protein are induced to crystallize through vapor diffusion (i.e., pendant drop method). In a vapor diffusion method, a FceRI protein is combined with a mother liquor of the present ntion that will make the FceRI protein solution supersaturated and form FceRI crystals at a constant temperature. Steam diffusion is preferably carried out at a controlled temperature in the range from about 15 ° C to about 30 ° C, preferably from about 20 ° C to about 25 ° C and most preferably at a constant temperature of about 22 ° C. In a preferred embodiment, the present ntion includes a method for producing FceRI crystals, comprising the steps of: (a) preparing a solution of about 3 mg / ml of a FceRI protein in an acetate salt pH regulator to form a supersaturated formulation, wherein the pH regulator comprises about 200 mM calcium acetate, about 100 mM sodium cacodylate and about 18% w / v PEG 8000 and has a pH of about 6.5; (b) dripping drops of approximately 3 μl of the supersaturated solution on a coverslip and inverting it over a cavity containing about 1 ml of the acetate salt pH regulator; and (c) incubating until the FceRI crystals are formed. In another preferred embodiment, the present invention includes a method for producing FceRI crystals, comprising the steps of: (a) preparing a solution of about 3 mg / ml of a FceRI protein in a pH regulator of sodium cacodylate to form a supersaturated formulation, wherein the pH regulator comprises about 100 mM of sodium cacodylate, about 10% v / v of 2-propanol and about 20% of w / v of PEG 4000 and has a pH of about 5.5-6.0 (b) dripping approximately 3 μl of drops of the supersaturated formulation onto a coverslip and inverting this over a cavity containing about 1 ml of the sulfate pH buffer; and (c) incubating until FceRI crystals are formed. In another preferred embodiment, the present invention includes a method for producing FceRI crystals, comprising the steps of: (a) preparing a solution of about 3 mg / ml of a FceRI protein in a pH regulator of sodium citrate to form a supersaturated formulation, wherein the pH regulator comprises about 200 mM trisodium citrate dihydrate, about 100 mM sodium cacodylate and about 30% v / v 2-propanol and has a pH of about 6.5; (b) dripping drops of about 3 μl of the supersaturated formulation on a coverslip and inverting this over a cavity containing about 1 ml of the phosphate pH regulator; and (c) incubating until FceRI crystals are formed. Any isolated FcR protein can be used with the method herein. An isolated FcR protein can be isolated from its natural environment or produced using recombinant DNA technology (e.g., polymerase chain reaction (PCR) amplification, cloning) or chemical synthesis. To produce the recombinant FcR protein, a nucleic acid molecule encoding the FcR protein can be inserted into any vector capable of delivering the nucleic acid molecule to a host cell. Suitable and preferred nucleic acid molecules for inclusion in recombinant vectors of the present invention are described herein. A preferred nucleic acid molecule of the present invention encodes a human FcR protein, and most preferably, a human FcγRlla protein, a human FceRI protein or a human FcγRl l lb protein. A nucleic acid molecule of the present invention can encode any portion of an FcR protein, preferably a full-length FcR protein, and most preferably a soluble form of the FcR protein (i.e., a form of the FcR protein capable of being secreted by a cell that produces said protein). A highly preferred nucleic acid molecule for inclusion in a recombinant vector, and in particular in a recombinant molecule, includes a nucleic acid molecule encoding a protein having the amino acid sequence represented by SEQ ID NO: 3, SEQ ID NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 1 1, SEQ ID NO: 12, or SEQ ID NO: 13. A preferred nucleic acid molecule for inclusion in a recombinant molecule includes sFc? Rl la and sFceRI, the production of which is described in the examples section. A recombinant vector of the present invention can be either RNA or DNA, either prokaryotic or eukaryotic, and typically is a virus or a plasmid. Preferably, a nucleic acid molecule encoding an FcR protein is inserted into a vector comprising an expression vector to form a recombinant molecule. As used herein, an "expression vector" is a DNA or RNA vector that is capable of transforming a host cell and effecting the expression of a specific nucleic acid molecule. The expression vectors of the present invention include any of the vectors that function (i.e., direct gene expression) in recombinant cells of the present invention, including in bacterial, fungal, endoparasitic, insect, other animal, and plant cells. Preferred expression vectors of the present invention direct expression in insect cells. A highly preferred expression vector of the present invention comprises the promiscuous plasmid of baculovirus pVL1392. A recombinant molecule of the present invention comprises pVL-sFc? Rlla (a), pVL-sFc? Rlla (b), and pVL-sFceRI. An expression vector of the present invention can be transformed into any suitable host cell to form a recombinant cell. A suitable host cell includes any cell capable of expressing a nucleic acid molecule inserted into the expression vector. For example, a prokaryotic expression vector can be transformed into a bacterial host cell. A preferred host cell of the present invention includes a cell capable of expressing a baculovirus, in particular an insect cell, Spodoptera frugiperda or Trichoplusia ni cells being most preferred. A preferred recombinant cell of the present invention includes the S. frusr / persian cells: pVL-sFc? Rlla (a) / pVL-sFc? Rlla (b) and S. frug pero'a: pVL-sFceRI, the production of the which is described herein. A method for isolating the useful FcR protein to produce FcR crystals includes the recovery of recombinant proteins from cell cultures of recombinant cells expressing said FcR protein. In one embodiment, an isolated recombinant FcR protein of the present invention is produced by culturing a cell capable of expressing the protein under conditions effective to produce the protein, and recovering the protein. A preferred cell for the culture is a recombinant cell of the present invention. Effective conditions of the culture include, but are not limited to, effective media, bioreactor, temperature, pH and oxygen conditions and culture medium that allow the production of the protein. Said cultivation conditions are within the experience of any expert in the art. Examples of suitable conditions are included in the examples section. Preferably, a recombinant cell of the present invention expresses a secreted form of the FcR protein. The FcR proteins of the present invention can be purified using a variety of standard protein purification techniques, such as but not limited to, affinity chromatography, ion exchange chromatography, filtration, electrophoresis, hydrophobic interaction chromatography, filtration chromatography. of gel, reverse phase chromatography, chromatofocusing and differential solubilization. Preferably, an FcR protein is purified in such a way that the protein is sufficiently purified for the formation of crystals useful for obtaining information regarding the three-dimensional structure of an FcR protein. Preferably, a composition of the FcR protein is about 70%, preferably 75%, preferably 80%, most preferably 85% and still most preferably 90% pure. In one embodiment, a recombinant FcR protein is purified from a harvested cell culture supernatant between about 20 hours and about 60 hours after infection, preferably between about 30 hours and about 50 hours after infection, and most preferably about 40 hours after infection. Preferably, an Fc? Rlla protein is purified from a supernatant, through a method comprising the steps of: (a) applying the supernatant of the S. rug / perda cells: pVL-sFc? Rlla (a) / pVL-sFc? Rlla (b) to an ion exchange column; (b) collecting the unbound protein from the ion exchange column and applying the non-bound protein to an immunoaffinity chromatography column; (c) eluting the proteins bound to the immunoaffinity chromatography column and applying the eluted proteins to a gel filtration column; and (d) collecting the filtered proteins from the gel filtration column to obtain the Fc? Rlla protein. Preferably, a FceRI protein is purified from a supernatant through a method comprising the steps of: (a) applying the supernatant of the S. fr? _ Cells, or percfa: pVL-sFceRI to an exchange column of ion; (b) collecting the unbound protein from the ion exchange column and applying the non-bound protein to an immunoaffinity chromatography column; (c) eluting the proteins bound to the immunoaffinity chromatography column and applying the eluted proteins to a gel filtration column; and (d) collecting the filtered proteins from the gel filtration column to obtain the FceRI protein. In view of the high degree of amino acid sequence homology between human Fc? R proteins and other members of the Fc? R family of proteins, the methods for purifying of the present invention can be applied to each member of the Fc family. ? R. In addition, one skilled in the art will recognize that the purification methods of the present invention are generally useful for purifying any FcR protein, such as the FceRI protein, except that using IgE in place of IgG for the purification step of immunoaffinity chromatography, and for the FcaRI protein, using IgA instead of IgG for the purification step. The protein isolated from the members of the FcγR protein family, the FceR protein and the FcaR protein, can be obtained through recombinant DNA technology or can be purified from natural sources, including, but not limited to, monocytes, macrophages, neutrophils, eosinophils, platelets and B lymphocytes (ie, B cells). Descriptions of the recombinant production of the isolated Fc? Rlla and FceRI proteins are described in the examples section. Another embodiment of the present invention includes a composition comprising the FcR protein in a crystalline form (ie, FcR crystals). As used herein, the terms "crystalline FcR" and "FcR crystal" both refer to the crystallized FcR protein and are intended to be used interchangeably Preferably, a crystalline FcR protein is produced using the method of formation of The crystal described herein, in particular according to the method described in Example 6 or Example 9. An FcR crystal of the present invention can comprise any crystal structure and is preferably precipitated as an orthorhombic crystal. present invention includes a monomer or a multimer of the FcR protein A preferred crystalline FcR protein comprises an FcR protein in an asymmetric unit A highly preferred crystalline FcR protein comprises a dimer of the FcR proteins A particular embodiment of the present invention includes a composition comprising the Fc? Rlla protein in a crystalline form (ie crystals of Fc? Rlla) As used herein, the terms "Fc? Rlla crystallina" and "Fc? Rlla crystal" both refer to the crystallized Fc? Rlla protein and are intended to be used interchangeably. Preferably, a crystal Fc? Rlla is produced using the crystal formation method described herein, in particular according to the method described in Example 6. An Fc? Rl crystal of the present invention can comprise any structure of glass and preferably precipitates as an orthorhombic crystal. Preferably, a composition of the present invention includes Fc? Rl protein molecules arranged in a crystalline form in a P2 2? 2 separation group., in order to form a unit cell with dimensions of a = 78.80 A, b = 100.55 A, c = 27.85 A. A preferred crystal of the present invention provides X-ray diffraction data for the determination of atomic coordinates of the protein Fc? Rlla at a resolution of about 3.0 A, preferably about 2.4 A, and most preferably about 1.8 A. A suitable Crystalline Fc? Rlla protein of the present invention includes a monomer or a multimer of the Fc? Rl protein. . A preferred crystalline Fc? Rla protein comprises an Fc? Rl protein in an asymmetric unit. A highly preferred crystalline Fc? Rl protein comprises a dimer of Fc? Rlla proteins. Another particular embodiment of the present invention includes a composition comprising a FceRI protein in a crystalline form (ie, FceRI crystals). As used herein, the terms "crystalline FceRI" and "FceRI crystal" both refer to the crystallized FceRI protein and are intended to be used interchangeably. Preferably, a crystal FceRI is produced using the crystal formation method described herein, in particular according to the method described in Example 9. A FceRI crystal of the present invention can comprise any crystal structure and is preferably It precipitates like an orthorhombic crystal. A suitable crystalline FceRI protein of the present invention includes a monomer or a multimer of the FceRI protein. A preferred crystalline FceRI comprises a FceRI protein in an asymmetric unit. A highly preferred crystalline FceRI comprises a dimer of FceRI proteins. In accordance with the present invention, the crystalline FcR can be used to determine the ability of a chemical compound of the present invention to bind to the Fc? Rlla protein, a predicted form by a structure based on the drug design method of the invention. present invention. Preferably, an Fc? Rl crystal is immersed in a solution containing a chemical compound of the present invention. The binding of the chemical compound to the crystal is then determined by standard methods in the art. One embodiment of the present invention is a therapeutic composition. A therapeutic composition of the present invention comprises one or more therapeutic compounds. Preferred therapeutic compounds of the present invention include inhibitory compounds and stimulant compounds. One embodiment of the present invention is a therapeutic composition that is capable of reducing tissue damage mediated by IgG. Suitable therapeutic compositions are capable of reducing IgG-mediated tissue damage resulting from IgG-mediated hypersensitivity or other biological mechanisms involved in the recruitment of IgG-mediated inflammatory cells involving the FcγR protein. For example, a therapeutic composition of the present invention can: (1) inhibit (ie, prevent, block) the binding of the FcγR protein to a cell having an FcγR protein (eg, B cells, cells) of macrophage, neutrophil, eosinophil, or platelet) to an IgG immune complex interfering with the IgG binding site of an Fc? R protein; (2) binding to the Fc portion of IgG to inhibit complement fixation through an IgG immune complement by interfering with the complement binding site of an IgG molecule; (3) inhibit the precipitation of IgG or IgG immune complexes (ie, avoid Fc: Fc interactions between two IgGs); (4) inhibit the cellular signal transduction mediated by immunoglobulin by interfering with the binding of an IgG to a cell surface receptor; (5) inhibit cell signal transduction mediated by FcγR by interfering with the binding of a cellular signal molecule (ie, a molecule that induces cell signal transduction through an FcγR protein) to an Fc protein ? R; (6) inhibit the opsinization of pathogens by inhibiting the binding of IgG bound to a pathogen to an FcγR protein on a phagocytic cell (eg, to avoid antibody-dependent enhancement (ADE) of viral infection, such as with flavivirus and Dengue virus); (7) inhibit the binding of viral molecules to the FcγR protein (eg, nucleocapsid protein from measles virus). As used herein, the term "immune complex" refers to a complex that is formed when an antibody binds to a soluble antigen. As used herein, the term "complement fixation" refers to the activation of complement through an antigen: antibody complex that results in the recruitment of inflammatory cells, typically through the assembly of a complex comprising C3a and C5a, or the generation of C4 divided. As used herein, the term "binding site" refers to the region of a molecule (e.g., a protein) to which another molecule specifically binds. Said therapeutic compositions include one or more inhibitory compounds, which inhibit the binding of IgG to the FcγR protein, IgG to complement, IgG to IgG, IgG to a cell surface receptor, a cell signal induction molecule to the Fc? R protein, the Fc? R protein to the virus or to inhibit opsinization. Also included in the present invention are methods for reducing tissue damage mediated by IgG. The method includes the step of administering to an animal a therapeutic composition of the present invention. Another embodiment of the present invention is a therapeutic composition that is capable of stimulating a humoral IgG immune response in an animal. Yet another embodiment of the present invention is a therapeutic composition that improves the therapeutic effects of an antibody that is administered to an animal to be treated, through opsinization or Fc? R-dependent effector functions (eg, Fc? R-mediated cytotoxicity). antibody dependent, phagocytosis or release of cellular mediators), a particular disease, including, but not limited to, cancer or infectious diseases (e.g., oral infections such as HIV, herpes, bacterial infections, yeast infections or parasitic infections) . Said therapeutic composition that includes one or more stimulating compounds that have increased the binding to IgG, improve the binding of IgG to Fc? R, improve the dimer formation of an Fc? R and / or improve signal transduction through Fc. ? R. A method for stimulating an immune-humoral response is also included in the present invention. The method includes the step of administering to an animal a therapeutic composition of the present invention. Suitable inhibitor compounds of the present invention are compounds that directly interact with an FcγR protein, preferably an FcγRlla protein, or an FcγRlllb protein, thereby inhibiting the binding of IgG to an FcγR protein, either by blocking the IgG binding site of an FcγR protein (referred to herein as substrate analogues) or by modifying other regions of the FcγR protein (such as in the upper groove of the IgG junction gap between the monomers of a dimer Fc? R, on the adjoining surface of the dimer, in the region of fissure or hinge between D1 and D2 on each monomer, and / or below the cleavage gap of IgG in the lower groove formed by the monomers of an Fc? R dimer), so that IgG can not join Fc? R (for example, through aloestérica interaction). An analogue of the FcγR substrate refers to a compound that interacts with (e.g., binds, associates with, modifies) the IgG binding site of an FcγR protein. An analogue of the Fc? R substrate may, for example, comprise a chemical compound that resembles the Fc portion of an IgG, or that specifically binds to the IgG binding site of an Fc? R, but does not resemble the Fc portion of an IgG. An inhibitor compound of the present invention may also include a compound that essentially resembles at least a portion of an FcγRlla protein that binds to IgG (herein referred to as a peptide mimetic compound). Other suitable inhibitor compounds of the present invention include compounds that inhibit the binding of an FcγR protein to a cell signal induction molecule other than IgG. Examples of such cell signal induction molecules include another FcγR (ie, to form an FcγR protein dimer) or an accessory cell surface molecule, an intracellular accessory molecule or virus (eg, nucleocapsid protein) of measles virus). One embodiment of the present invention is a therapeutic composition that is capable of reducing IgE-mediated responses. Suitable therapeutic compositions are capable of reducing the IgE-mediated responses resulting from IgE-mediated hypersensitivity, IgE-mediated inflammatory modulator disease, or biological mechanisms involved in the IgE-mediated recruitment of inflammatory cells involving the FceR protein. For example, a therapeutic composition of the present invention can: (1) inhibit (ie, prevent, block) the binding of the FceR protein on a cell having a FceR protein (eg, mast cells) to an immune complex of IgE interfering with the IgE binding site of a protein FceR; (2) inhibit the precipitation of IgE or immune complexes of IgE (ie, prevent Fc: Fc interactions between two IgEs); (3) inhibit the cellular signal transduction mediated by immunoglobulin by interfering with the binding of an IgE to a cell surface receptor; (4) inhibiting FceR mediated cell signal transduction by interfering with the binding of a cell signal induction molecule (ie, a molecule that induces cellular signal transduction through a FceR protein) to a FceR protein. Said therapeutic compositions include one or more inhibitor compounds, which inhibit the binding of IgE to the FceR protein, IgE to IgE, IgE to a cell surface receptor, or a cell signal induction molecule to the FceR protein. Also included in the present invention are methods for reducing IgE-mediated responses, such as IgE-mediated inflammation. The method includes the step of administering to an animal a therapeutic composition of the present invention. Another embodiment of the present invention is a therapeutic composition that is capable of stimulating a humoral IgE immune response in an animal. Yet another embodiment of the present invention is a therapeutic composition that improves the therapeutic effects of an antibody that is administered to an animal for treatment, through opsinization or FceR-dependent effector functions (e.g., phagocytosis or release of cellular mediators), a particular disease. Said therapeutic composition includes one or more stimulating compounds that have increased to IgE, improve the binding of IgE to FceRI, improve the dimer formation of a FceR, and / or improve signal transduction through FceR. A method for stimulating an immune-humoral response is also included in the present invention. The method includes the step of administering to an animal a therapeutic composition of the present invention. Suitable inhibitor compounds of the present invention are compounds that interact directly with a FceR protein, thereby inhibiting the binding of IgE to a FceR protein, either by blocking the IgE binding site of a FceR protein (referred to herein as substrate analogues) or by modifying other regions of the FceR protein (such as in the upper groove of the IgE junction gap between the monomers of a FceRI dimer, on the adjoining surface of the dimer, in the region of fissure or hinge between D1 and D2 on each monomer, and / or below the cleavage gap of IgE in the lower groove formed by the monomers of a FceRI dimer), so that IgE can not bind to FceR (for example, via alloestheric interaction). An analogue of the FceR substrate refers to a compound that interacts with (e.g., binds, associates with, modifies) the IgE binding site of a FceR protein. An analogue of the FceR substrate, for example, may comprise a chemical compound that resembles the Fc portion of an IgE, or that specifically binds to the IgE binding site of an FceR, but does not resemble the Fc portion of an IgE. An inhibitor compound of the present invention may also include a compound that essentially resembles at least a portion of a FceR protein that binds to IgE (herein referred to as a peptide mimetic compound) Other suitable inhibitor compounds of the present invention include compounds that inhibit the binding of a FceR protein to a cell signal induction molecule other than IgE Examples of said cell signal induction molecules include other FceR proteins (ie, to form a FceR protein dimer), or an accessory cell surface molecule, an intracellular accessory molecule or virus (eg, measles virus nucleocapsid protein) The inhibitor compounds of the present invention can be identified through various methods known to those skilled in the art. For example, the binding of an inhibitory compound to, or otherwise the interaction with, an FcR protein, can be determined with the FcR protein in solution or in cells using, for example, immunoassays, such as immunoassays with enzyme-linked immunosorbent (ELISA) ) and radioimmunoassays (RIA) or binding assays such as Biacore assays. Cell based assays may include, for example, cytosine secretion assays (eg, I L-4, I L-6 or IL-12), or intracellular signal transduction assays that determine, for example, the phosphorylation of protein or lipid, mediator release or intracellular Ca ++ mobilization after FcR binding to a cell signal induction molecule. Suitable therapeutic stimulatory compounds of the present invention are compounds that exhibit improved binding to Ig, when compared to the ability of a natural FcR protein (eg, an FcR protein isolated from its natural environment) to bind to Ig, and also include compounds that improve the binding of Ig to its FcR or improve signal transduction through FcR. The stimulating compounds of the present invention are identified by their ability to: (1) bind to, or otherwise interact with, Ig at a higher level than, for example, the natural FcR protein; (2) improve the binding of Ig to its FcR; (3) improving the dimer formation of an FcR by binding to either FcR, Ig that binds to FcR or to the combination of Ig bound to FcR; and / or (4) improve signal transduction through FcR. Methods for determining the enhanced binding of Ig to a stimulatory compound of the present invention compared to, for example, the natural FcR protein, include binding assays that determine binding stability, affinity or kinetics at which Ig binds to a stimulating compound and a natural FcR protein. Such methods are well known to those skilled in the art and are described here in the examples section. A stimulating compound of the present invention may also include a compound that binds to Ig or an FcR protein, thereby enhancing the binding of Ig to the FcR protein or improving cell signal transduction during or after the binding of Ig to the FcR protein. , for example, by modifying other regions of FcR or Ig through an alloestheric interaction that modifies the Ig binding site of FcR or the Fc portion of Ig that binds to an FcR protein. Another stimulating compound of the present invention may include a compound that binds to the FcR protein in the absence of Ig, such that FcR-mediated cell signal transduction is stimulated. One skilled in the art will understand that the inhibitory or stimulating compounds can also be developed based on the structure of any FcR and its Ig ligand, as described above for the FcγR protein of IgG and FceRI and IgE. In accordance with the present invention, suitable therapeutic compounds of the present invention include peptides or other organic molecules and inorganic molecules. Suitable organic molecules include small organic molecules. Preferably, a therapeutic compound of the present invention is not harmful (eg, toxic) to an animal when said compound is administered to an animal. Peptides refer to a class of compounds that is small in molecular weight and produces two or more amino acids after hydrolysis. A polypeptide is composed of two or more peptides. As used herein, a protein is composed of one or more polypeptides. Preferred therapeutic compounds for design include peptides composed of the amino acids "L" and / or "D" which are configured as normal or retro-inverso peptides, peptide mimetic compounds, small organic molecules, or their homo- or heteropolymers, in linear and branched configurations. The therapeutic compounds of the present invention can be designed using structure-based drug design. Until the discovery of the three-dimensional structure of the present invention, there was no information available for the development based on the structure of therapeutic compounds based on the structure of the FcR protein. Said rational development so far could not be executed again from the available linear amino acid sequence information. The structure-based drug design refers to the use of computer simulation to predict a conformation of a peptide, polypeptide, protein or conformational interaction between a peptide or polypeptide, and a therapeutic compound. For example, in general, for a protein to interact effectively with a therapeutic compound, it is necessary that the three-dimensional structure of the therapeutic compound assumes a compatible conformation that allows the compound to bind to the protein in such a way that a desired result is obtained after of the Union. The recognition of the three-dimensional structure of the protein allows one skilled in the art to design a therapeutic compound having said compatible conformation. For example, knowledge of the three-dimensional structure of the IgG binding site of the Fc? Rlla protein allows one skilled in the art to design a therapeutic compound that binds to Fc? Rlla, be stable and result in the inhibition of a biological response such as the binding of IgG to cells having FcγR, or cellular signal transduction, after said binding. In addition, for example, recognition of the three-dimensional structure of the IgG binding site of the Fc? Rl protein allows one skilled in the art to design a substrate analog of the Fc? Rl la protein. Suitable structures and models useful for the structure-based drug design are described herein. Preferred structures for use in a structure-based drug design method include a structure of the Fc? Rl protein, a structure of the FceRI protein, a structure of the Fc? Rl protein, a model of a structure Target FcR. Preferred models of target structures for use in a structure-based drug design method include models produced through any modeling method described herein, including molecular replacement and methods related to bending recognition. One embodiment of the present invention is a computer-aided method of drug design based on the structure of bioactive compounds, comprising: (a) providing a structure of a protein that includes a three-dimensional structure of an FcR protein or a model of the present invention; (b) design a chemical compound using the three-dimensional structure or model; and (c) chemically synthesizing the chemical compound. Said method may further include the step of (d) evaluating the bioactivity of the synthesized chemical compound. Suitable three-dimensional structures, an FcR protein and models for use with the method herein are described herein. In accordance with the present invention, the step of designing may include creating a new chemical compound or search databases of collections of known compounds (e.g., a compound listed in a computer-based presentation database containing three-dimensional structures of compounds known). The design can also be done by simulating chemical compounds that have substitute portions in certain structural aspects. The step of designing may include selecting a chemical compound based on a known function of the compound. A preferred design step comprises the computer presentation of one or more compound databases, wherein the three-dimensional structure of the compound is known and is interacted (eg, suppressed, aligned, and trained, interconnected) with the three-dimensional structure of a FcR protein through the computer (for example, as described by Humblet and Dumbar, Animal Reports in Medicinal Chemistry, vol.28, pp. 275-283, 1993, M Venuti, ed., Academic Press). Methods for synthesizing suitable chemical compounds are known to those skilled in the art and depend on the structure of the chemical being synthesized. The methods for evaluating the bioactivity of the synthesized compound depend on the bioactivity of the compound (eg, inhibitor or stimulant) and are described herein. Several other drug-based structure design methods are described by Maulik et al., 1997, Molecular Biotechnology: Therapeutic Applications and Strategies, Wiley-Liss, Inc., which is incorporated herein by reference in its entirety. Maulik et al. Describe, for example, methods for direct design, where the user directs the process of creating new molecules from a collection of appropriately selected fragments; random design, wherein the user uses a genetic algorithm or other algorithm to randomly mutate fragments and their combinations, while simultaneously applying a selection criterion to evaluate the fitness of candidate ligands; and a grid-based appearance, wherein the user calculates the interaction energy between the three-dimensional receptor structures and small fragment probes, followed by the joint joining of favorable probe sites. Preferably, a chemical compound of the present invention that binds to the Ig-binding site of an FcR protein is known to originate from a chemical compound that has a chemical and / or stereochemical complementarity with the FcR and / or Ig protein. Such complementarity is characteristic of a chemical compound that matches the surface of the receptor either in the form or distribution of chemical groups and binds to the FcR protein to promote or inhibit the binding of Ig to the FcR protein, or to induce transduction of cellular signal after binding to the FcR protein. Most preferably, a chemical compound that binds to the Ig binding site of an FcR protein is associated with an affinity of at least about 10"6 M, and most preferably with an affinity of at least about 10" 8 M. Preferably, five sites of the FcR protein are targets for the structure-based drug design. These sites include the Ig binding site of the FcR protein, the upper groove between two FcR monomers, the adjacent dimerization surface between two FcR protein monomers, the lower groove between two FcR monomers, the adjoining surface, fissure region or hinge. between domains 1 and 2 of the FcR protein, and combinations of any of these sites (e.g., interacting with the Ig binding site and the upper groove between monomers, simultaneously). A schematic representation of these sites is shown in Figure 17, with "a" representing the Ig binding site of the FcR protein, "b" representing the upper groove between two FcR monomers, "c" representing the adjoining dimerization surface between two FcR protein monomers, "d" representing the abutting surface, fissure region or hinge between domains 1 and 2 of the FcR protein and "e" representing the lower groove between two FcR monomers. The following discussion provides a specific detail on the drug design using objective FcR sites and as an example, references of preferred target sites in the Fc? Rlla structure. However, it should be understood that one skilled in the art, using the description of the FceRI structure and the Fc? Rlllb structure provided herein, will be able to effectively select similar target sites in the FceRI protein monomer and the dimer for the design of drug based on structure. In addition, one skilled in the art now that is able to model the other FcR proteins based on the information provided herein, will also be able to effectively select similar target sites in other FcR proteins for the structure-based drug design. The Ig binding site (Figure 17; "a") is activated to directly affect the binding of FcR to Ig (i.e., inhibition or improvement). The IgG binding site of the Fc? Rl la protein, for example, includes, but is not limited to, residues 155, 156, 158-160, 1 13-1 16, 129, 131, 133 and 134 of SEC ID NO: 3, and may also include at least a portion of the second site described above (Figure 17; "b"), the gap between the two IgG binding sites that are formed after the dimerization of the Fc protein. the. The "b" site residues that are included in the IgG binding, include, but are not limited to, residues 1 17-121, 125-129, 150-154 and 157-161 of SEQ ID NO: 3. A suitable target site for the structure-based drug design comprising the IgG binding site for the Fc? Rlla protein, is illustrated in Figure 7. More specifically, the mutagenesis studies have identified several residues, which have a effect on the binding of IgG, and the three-dimensional structure described here clearly identifies which residues are exposed on the surface (ie, they are probably those that participate in the binding of IgG and that do not just have an alloestheric effect). These studies can be classified into three special groups: (1) Phe129, His131, Lys1 13, Pro1 14, Leu 1 15, Val 1 16; (2) Pro134 and Asp133; and (3) Leu 159 and Ser161. The group (1) forms a continuous surface leading from the lip of the groove "b" (Figure 17) through the joint surface "a" (Figure 17), and represents the very preferred objective of the design work in the IgG binding site. Group (2) is separated from group (1) through Leu132, which is currently of unknown importance in the binding of IgG, and can be part of the residues exposed on the surface. Group (3) contains residues, which are far from the other two groups and do not appear to be available to participate in the binding of IgG through the dimeric structure. The upper groove between the two FcR monomers (Figure 17; "b") is also activated to directly affect the binding of FcR to Ig (i.e., inhibition or enhancement). The upper groove provides an attractive site to develop, in contrast to the activation of a flat protein surface. The dimeric structure of the Fc? Rlla protein suggests the activation of symmetric inhibitors of C2 or pseudo C2. Preferred residues for activation in the Fc? Rlla protein include Lys117, His131, Phe129, Asn 154, Ser161, Leu 159, Thr152 and Phe121, with Phe129, Lys1 17 and His131 being highly preferred. In one embodiment, compounds can be designed that interact with both the upper "b" groove and the "a" IgG binding surface simultaneously. For example, improved Ig regulatory compounds can be obtained by designing regulatory compounds that flow out of the groove and attach to the "a" binding surface, as described above. Alternatively, a regulatory compound, which binds to "b", can be sterically an obstacle to the binding of IgG to "a" without actually interacting with the "a" binding surface. The neighboring dimeric receptor surface (Figure 17; "c") is activated to directly effect the ability of the two FcR proteins to form a dimer, thus affecting cell signal transduction through one or both of the FcR proteins. Without being bound by theory, the inventors of the present believe that dimer formation can affect the cellular signal transduction or affect the conformation of the Ig binding of one or both of the FcR proteins involved in the dimer, thus affecting transduction of cellular signal. In addition, the abutting surface of the dimer represents an excellent target site, since one monomer provides ligand information for the other monomer and vice versa. A suitable target site for the drug-based structure design comprising the adjoining dimerization surface between the two Fc? Rl proteins., is illustrated in Figure 10. More specifically, residues 1 17-131 and residues 150-164 form the interfacial area of the Fc? Rlla dimer, and the peptides from these sequences or their like can be binding inhibitors. An examination of hydrogen-bonding interactions from the crystal structure of Fc? Rlla indicates very few interactions between the monomers and the interfacial area, but a remarkable group extends through the hexapeptide Phe121 -Gln122-Asn123-Gly124-Lys125 -Ser126 In addition, there is a hydrogen bond between the monomers involving Gly124-Ser561 and Ser126-Leu559. There are also some hydrophobic contacts made through the side chain of Lys125 and through the phenyl ring Phe121. The adjoining surface between domains 1 and 2 (Figure 17; "d") is activated to affect the binding of IgG to an Fc? Rlla protein. The inventors of the present invention have discovered that in the three-dimensional structure of the Fc? Rlla protein, domain 1 makes close contact with domain 2. In particular, a loop comprising residues 17-20 of SEQ ID NO: 3 in the domain 1 lie near the loops of domain 2 to form at least a portion of the IgG binding site. Interactions with IgG are thought to occur near the adjoining surface of D1 D2 and these alterations at this site can effect Ig binding. In addition, a crack is defined by residues 12-14 (base), 6-10 and 77-80 (face D1) and 93-96 and 101 (face D2), and as such represent a potential site for the inhibitor design. The suitable target site for the structure-based drug design comprising the abutting surface between the domain and domain 2 of the Fc? Rl protein is illustrated in FIG. 5. The lower slot between the two FcR monomers (FIG. 17, "e") is also activated to directly activate the binding of FcR to Ig (ie, inhibition or improvement). A similar design strategy can be used for this site as described above for the upper "b" slot, although it is less clear if the compounds that bind to this site can be inhibitors, or probably improve the binding of IgG to Fc? R. The drug design strategies, as described above in specific form, with respect to the residues and regions of the Fc? Rl monomer and dimer can be similarly applied to the other FcR structures, including the Fc? Rlllb and FceRI structures described herein. . One skilled in the art, using the modeling programs recognized by the technique and drug design methods, many of which are described here, will be able to modify the Fc? Rlla design strategy according to the differences in the sequence of amino acid and most favored structures, for example in the other FcR, to similarly design compounds that regulate another FcR action. In addition, one skilled in the art can utilize lead compound structures derived from an FcR, such as the Fc? Rlla protein, and take into account differences in amino acid residues in another FcR protein, such as FceRI, modify the lead compound of Fc? Rl la to design structures of lead compound for the regulation of the FceRI protein. For example, His131 > Tyr131 in the upper slot pharmacophore can be adapted by changing an acid portion in a lead compound structure Fc? RI to an electron-deficient ketone portion. In the present method of the structure-based drug design, it is not necessary to align a candidate chemical compound (ie, a chemical compound being analyzed in, for example, a computational representation method of the present invention) to each residue in an objective site. Suitable candidate chemical compounds can be aligned to a subset of residues described for a target site. Preferably, a candidate chemical compound comprises a conformation that promotes the formation of covalent or non-covalent entanglement between the target site and the candidate chemical compound. Preferably, a candidate chemical compound is attached to a surface adjacent to a target site to provide an additional site of interaction in a complex. When designing an antagonist (i.e., a chemical compound that inhibits the binding of a ligand to the FcR protein by blocking a binding site or abutting surface), the antagonist must bind with sufficient affinity to the binding site or substantially prohibit a ligand (ie, a molecule that specifically binds to the target site) binds to a target area. It will be appreciated by one skilled in the art that it is not necessary that the complementarity between a candidate chemical compound and a target site extend over all the residues specified herein in order to inhibit or promote the binding of a ligand. In general, the design of a chemical compound that possesses stereochemical complementarity can be achieved through techniques that optimize, chemically or geometrically, the "fit" between a chemical compound and a target site. Such techniques are described in, for example, Sheridan and Venkataraghavan, Acc. Chem. Res., Vol. 20, p. 322, 1987: Goodford, J. Med. Chem., Vol. 27, p. 557, 1984; Beddell, Chem. Soc. Reviews, vol. 279, 1985; Hol, Angew. Chem., Vol. 25, p. 767, 1986; and Verlinde and Hol, Structure, vol. 2, p. 577, 1994, each of which is incorporated herein by reference in its entirety. One embodiment of the present invention for the structure-based drug design comprises identifying a chemical compound that complements the form of an FcR protein or a structure that is related to an FcR protein. Said method is referred to herein as a "geometric aspect". In a geometrical aspect of the present invention, the number of internal degrees of freedom (and the corresponding local minimum in the molecular conformation space) is reduced by considering only the geometric interactions (hard sphere) of two rigid bodies, wherein a body ( the active site) contains "cavities" or "groove" that form binding sites for the second body (the complementation molecule, such as a ligand). The geometrical aspect is described by Kuntz et al., J. Mol. Biol., Vol. 161, p. 269, 1982, which is incorporated herein by reference in its entirety. The algorithm for chemical compound design can be implemented using the DOCK software program package, version 1.0 (available from Regents of the University of California). According to the Kuntz algorithm, the shape of the cavity or groove on the surface of a structure (e.g., the Fc? Rl la protein) at a binding site or abutting surface is defined as a series of overlapping spheres of different radios. One or more extensive databases of crystallographic data (for example, the Cambridge Structural Data System maintained by University Chemical Laboratory, Cambridge University, Lensfield Road, Cambridge CB2 1 EW, U.K.) or the Protein Data Bank maintained by Brookhaven National Laboratory, then then looking for chemical compounds that approximate the shape thus defined. The chemical compounds identified by the geometric aspect can be modified to meet criteria associated with chemical complementarity, such as hydrogen bonding, ionic interactions, or Van der Waals interactions. Another embodiment of the present invention for the structure-based drug design comprises determining the interaction of chemical groups ("probes") with an active site at the sample positions in and around a binding site or abutting surface, giving as resulting in a disposition of energy values from which three-dimensional contour surfaces can be generated at selected energy levels. This method is referred to herein as a "chemical probe aspect". The chemical probe aspect for the design of a chemical compound of the present invention is described, for example, by Goodford J. Med. Chem., Vol. 28, p. 849, 1985, which is incorporated herein by reference in its entirety, and is implemented using an appropriate software package including, for example, GRID (available from Molecular Discovery Ltd., Oxford OX2 9LL, U.K). The chemical prerequisites for a site complementation molecule can be identified at the beginning, by placing a probe to the active site of an Fc? Rlla protein, for example (as represented by the atomic coordinates shown in Table 1) with different probes chemicals, for example water, a methyl group, an amine nitrogen, a carboxyl oxygen and / or a hydroxyl. The preferred sites for the interaction between an active site and a probe can be determined. The putative complementary chemical compounds can be generated using the three-dimensional pattern resulting from said sites. A therapeutic composition of the present invention may comprise one or more therapeutic compounds of the present invention. A therapeutic composition may further comprise other compounds capable of reducing Ig-mediated responses or increasing a humoral immune response. For example, a therapeutic composition of the present invention useful for reducing tissue damage may also include compounds that block the recruitment of inflammatory cells, through, for example, blocking complement fixation, extravasation, blocking viral protein binding to FcR, blocking the optimization or improvement of the normal and passive immunity of the antibody. A therapeutic composition of the present invention useful for reducing Ig-mediated inflammation may include compounds that block the recruitment of inflammatory cells and / or block the path of signal transduction, which leads to the release of inflammatory mediators. A therapeutic composition of the present invention useful for increasing a humoral response may also include compounds that increase the production of antibody against an antigen (ie, ancillary), including, but not limited to, cytokines, and compounds that induce cytokine production. and chemokines (e.g., cyto-macrophage granule colony stimulation factor (GM-CSF), granulocyte colony stimulation factor (G-CSF), macrophage colony stimulation factor (M-CSF), colony stimulation (CSF), erythropoietin (EPO), interleukin 2 (I L-2), interleukin-3 (IL-3), interleukin-4 (IL-4), interleukin-5 (I L-5), interleukin -6 (I L-6), interleukin-7 (IL-7), interleukin-8 (I L-8), interleukin-10 (I L-10), interleukin-12 (I L-12), interferon gamma , interferon gamma induction factor I (IGI F), transformation growth beta factor, RANTES (regulated after activation, at normal T expressed and presumably secreted), macrophage inflammatory proteins (e.g. MIP-1 alpha and MI P-1 beta), bacterial components (e.g., endotoxins, particularly superantigens, exotoxins and cell wall components); salts based on aluminum; calcium-based salts; silica; polynucleotides; toxoids; whey proteins, viral coat proteins; blocking copolymer auxiliaries (for example, Hunter's auxiliary Titermax ™ (Vaxcel ™, Inc. Norcross, (GA), Ribi auxiliaries (Ribi Immunochem Research, Inc., Hamilton, MT); and saponins and their derivatives (for example, Quil A (Superfos Biosector A / S, Denmark).

A therapeutic composition of the present invention can be used to treat a disease in an animal by administering said composition to an animal in such a manner that desired therapeutic results are obtained. Preferred animals to treat include mammals, marsupials, reptiles and birds, with humans, companion animals, food animals, zoo animals and other economically important animals (for example, racehorses and animals valued for their skins, such as chinchillas and minks). The most preferred animals to treat include humans, dogs, cats, horses, cattle, sheep, pigs, chickens, ostriches, turkeys, koalas and kangaroos. The animals particularly preferred to protect are humans, dogs and cats. A preferred therapeutic composition of the present invention also includes an excipient, an auxiliary, and / or a carrier. Suitable excipients include compounds that the animal, which will be treated, can tolerate. Examples of such excipients include water, saline, Ringer's solution, dextrose solution, Hank's solution, and other physiologically balanced, aqueous salt solutions. Nonaqueous vehicles such as fixed oils, sesame oil, ethyl oleate or triglycerides can also be used. Other useful formulations include suspensions containing viscosity improving agents, such as sodium carboxymethylcellulose, sorbitol or dextran. The excipients may also contain minor amounts of additives, such as substances that improve isotonicity and chemical stability. Examples of pH regulators include phosphate pH regulator, bicarbonate pH regulator and tris pH regulator, although examples of preservatives include thimerosal, o-cresol, formalin and benzyl alcohol. The standard formulations can be either liquid or solid injectable products, which can be taken in a suitable liquid such as a suspension or solution for injection.

Thus, in a non-liquid formulation, the excipient may comprise dextrose, human serum albumin, preservatives, etc. , where sterile or saline water can be added before administration. In one embodiment of the present invention, a therapeutic composition may include a carrier. Supporting carriers include compounds that increase the half-life of a therapeutic composition in a treated animal. Suitable vehicles include, but are not limited to, polymeric controlled release vehicles, biodegradable implants, liposomes, bacteria, viruses, other cells, oils, esters and glycols. Acceptable protocols for administering therapeutic compositions of the present invention in an effective form include the individual dose size, number of doses, frequency of dose administration and mode of administration. The determination of said protocols can be achieved by one skilled in the art. The modes of administration may include, but are not limited to, subcutaneous, intradermal, intravenous, intranasal, oral, transdermal, intraocular, and intramuscular routes. Another embodiment of the present invention are diagnostic compounds capable of detecting the altered FcR protein in or isolated from cells obtained from patients having abnormal immunity or inflammation. With the use of the structure-based drug design methods described herein, diagnostic reagents can be developed that bind to the FcR protein, using the three-dimensional structure of the FcR protein. Preferred diagnostic reagents of the present invention include molecules capable of binding to the Ig-binding site of an FcR protein capable of binding to Ig and molecules capable of binding to the circulating FcR protein obtained from patients with inflammation. Preferred diagnostic reagents include molecules that are immunogenic or can be chemically coupled to detectable compounds, such as radioisotopes, enzymes, dyes or biotins. In a preferred embodiment, a therapeutic compound or diagnostic compound of the present invention comprises a protein engineered through recombinant DNA methods.

TABLE 1 C0M - NT-- IO Ult-Unaa coordinate * dß the structure of the Receiver Ha Fc CO-ßHZaRIO lacrlto by O v rmí? A 5.10.1 COMMENTARY Miércolßß 20 dß Hayo 10:23:51 1998 CRISTI 79,221 100,866 28,172 90.00 90.00 90.00 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 BSCBU-1 0.012623 0.000000 0.000000 0.00000 XSC-UJ-2 0.000000 0.009914 0.000000 0. OOOOO -fl »C-T 0.000000 0. OOOOOO 0.035496 0.0000C ATCMO 1 CB AIA 36,645 68,826 -4.702 1.00 51.37 6 ÁTOMO 2 c ALA 36. 199 68.294 -2.285 1.00 42.22 6 ATCMO 3 or ALA 36,801 67,492 -1,569 1.00 42.70 8 ATCMO 4 N ALA 34,367 68,121 -3,997 1.00 45.74 7 ATOM 5 CA ALA 35,829 67,992 -3,724 1.00 43.68 6 ATOM 6 N PRO 2 35,903 69,499 -1. 817 1.00 40.54 7 TOMO 7 CD PRO 2 35,149 70,546 -2,533 1.00 38.91 6 ATOMO 8 CA PRO 2 36,172 69,844 -0,425 1.00 38. 61 6 ATOM 9 CB PRO 2 35,765 71,300 -0,322 1.00 39.86 6 ATOMO 10 CG PRO 2 34,790 71,513 -1,426 1.00 41.36 6 ATCMO '11 C PRO 2 35,294 68,931 0.434 1.00 36.70 6 ATOM 12 OR PRO 2 34,188 68,654 -0,042 1.00 32.46 8 ATCMO 13 H PRO 3 35,789 68,496 1,579 1.00 33.82 7 TOMO 14 CD PRO 3 37,120 68,857 2,110 1.00 35.16 6 ATOM 15 C? PRO 3 35,069 67,637 2,491 1.00 38.25 6 ATOM 16 CB PRO 3 35,872 67,639 3,799 1.00 37.39 6 VOLUME 17 CG PRO 3 37,180 68,267 3,486 1.00 37.41 6 ATOMO 18 C PRO 3 33,653 68,136 2 .790 1.00 37.48 6 ATOM 19 OR PRO 3 33,393 69,335 2. 683 1.00 34.39 8 ATOM 20 N LYS 32,763 67,212 3,173 1.00 37.04 7 VOLUME 21 C? 1YS 31,399 67,678 3,424 1.00 34.97 6 ATOM 22 CB LYS 30,318 66,664 3,122 1.00 43.98 6 ATCMO 23 CG LYS 30,564 65,191 3,278 1.00 47.64 6 ATOM 24 CD LYS 29,775 64,349 2,292 1.00 52.03 6 ATOM 25 CB LYS 28,317 64,743 2,137 1.00 57.56 6 VOLUME 26 NZ LYS 27,724 64,253 0.855 1.00 56.40 7 VOLUME 27 C LYS 31,243 68 .234 4,825 1.00 31.44 6 VOLUME 28 OR LYS 31,846 67,769 5,784 1.00 29.91 8 ATCMO 29 N ALA 5 30,416 69,280 4. 908 1.00 28.75 7 ATOM 30 C? ALA 5 30,039 69,813 6,218 1.00 27.21 6 ATCMO 31 CB ALA 5 29. 155 71,032 6.110 1.00 21. 94 6 ÁTOMO 32 C ALA 5 29,278 68,683 6,923 1.00 26.42 6 ATCMO 33 OR WING 5 28,760 67,794 6,222 1.00 26.10 8 ATCMO 34 N VAL 6 29,231 68. 674 8,241 1.00 24.91 7 ATCMO 35 CA VAL 6 28,515 67. 632 8,985 1.00 26.95 6 VOLUME 36 CB VAL 6 29,490 66,738 9.770 1.00 29.36 6 ÁTOMO 37 CG1 VAL 6 28,779 65,726 10,676 1.00 29.86 6 ÁTOMO 38 CG2 VAL 6 30,434 66,024 8,801 1.00 26.74 6 ATCMO 39 C VAL 6 27.503 68.253 9.942 1.00 28.93 6 ATCMO 40 O VAL 6 27,846 68,994 10,866 1.00 31.46 8 ÁTOMO 41 N LEU 7 26,233 67,929 9,758 1.00 30.08 7 TOMO 42 CA LEU 7 25,105 68,383 10,546 1.00 29.33 6 ÁTOMO 43 CB LEU 7 23,839 68,346 9. 657 1.00 33.18 6 VOLUME 44 CG LEU 7 22,828 69,458 9,960 1.00 34.94 6 ÁTOMO 45 CDl LEU 7 22,082 69,876 8,721 1.00 27.55 6 ATOMO 46 CDZ LEU 7 21,887 69,002 11,069 1.00 32.30 6 ÁTOMO 47 C LEU 7 24,816 67,565 11,794 1.00 29.57 6 A3CM0 48 O LEU 7 24. 653 66,351 11. 800 1.00 30.04 8 ATCMO 49 N LYS ß 24,768 68,242 12,930 1.00 28.04 7 ATCMO 50 C? LYS 8 24,568 67,692 14,257 1.00 25.12 6 ATCMO 51 CB LYS 8 25,738 68,179 15,132 1.00 33.32 6 ATCMO 52 CG LYS 8 25.777 67.611 16.532 1.00 39.37 6 VOLUME 53 CD LYS 8 25.967 68.598 17.652 1.00 43. 84 6 ATCMO 54 CB LYS 8 27.129 69.561 17.487 1.00 47.78 6 ATCMO 55 HZ LYS 8 27,525 70. 175 18,793 1.00 48.98 7 ATCMO 56 C LYS 8 23,233 68,192 14,797 1.00 24.53 6 TOMO 57 O LYS 8 22,934 69,384 14,339 1.00 25.35 8 ÁTOMO 58 N LEU * 9 22,423 67,310 15,333 1.00 24.78 7 ATOMO 59 CA LEU 9 21,080 67,553 15,843 1.00 22.07 6 ATOMO 60 CB LEU 9 20,189 66,483 15,190 1.00 20.04 6 ATCMO 61 CG LEU 9 18,725 66,363 15,596 1.00 20.57 6 VOLUME 62 CDl LEU 9 17,980 67. 624 15,214 1.00 19.57 6 ATCMO 63 CD2 LEU 9 * 18,084 65. 137 14.903 1.00 23.44 6 ATCMO 64 C LEU 9 21,019 67,415 17,336 1.00 21.01 6 ATOMO 65 OR LEU 9 21,424 66,393 17,869 1.00 22.38 8 ÁTOMO 66 N GLU 10 20,583 68,410 18,118 1.00 22.53 7 ÁTOMO 67 CA GLU 10 20,480 68,285 19,567 1.00 21.02 6 ATOM 68 CB GL? 10 21,523 69,182 20,270 1.00 27.36 6 ATOMO 69 CG? GLU 10 22,971 68,778 20,090 0.50 28.21 6 ATOM 70 CGB GLU 10 22,946 68,657 20,195 0.50 38.29 6 ÁTOMO 71 COA GLO 10 24,047 69,789 20,422 0.50 28.55 6 ATOMO 72 CDB GLU 10 23,100 67,202 20,587 0.50 43.48 6 ATCMO 73 OBI GLU 10 25,131 69,365 20,907 0.50 26.56 8 ÁTOMO 74 OB GLU 10 22,443 66,771 21,565 0.50 47.24 8 ÁTOMO 75 OE2 GLU 10 23.888 71.008 20.186 0.50 22.10 8 ÁTOMO 76 OE2 GLU 10 23,871 66,486 19,908 0.50 46.42 8 ÁTOMO 77 C GLU 10 19,096 68,728 20,008 1.00 19.76 6 ATOMO 78 OR GLU 10 18.701 69.842 19.613 1.00 18.00 8 ATOMO 79 N PRO 11 18,423 67,995 20,888 1.00 19.07 7 ATOM 80 CD PRO 11 17,058 68,340 21,390 1.00 18.71 6 ATCMO 81 CA PRO 11 18,834 66,662 21,319 1.00 18.84 6 ATOMO '82 CB PRO 11 17,807 66,272 22,365 1.00 17.38 6 ATOMO 83 CG PRO 11 16,560 67,000 21,944 1.00 18.86 6 ATOMO 84 C PRO 11 18,787 65,758 20,090 1.00 20.01 6 ATOM 85 OR PRO 11 18,310 66,212 19,051 1.00 16.22 8 ATOMY 86 N PRO 12 19,232 64,517 20,155 1.00 19.94 7 ATOMO 87 CD PRO 12 19,915 63,948 21,361 1.00 21.08 6 ATOMO 88 CA PRO 12 19.409 63.700 18.976 1.00 20.68 6 ATOMO 89 CB PRO 12 20,455 62,656 19,397 1.00 19.82 6 ATOMO 90 CG PRO 12 20,292 62,567 20,872 1.00 23.59 6 ÁTOMO 91 C PRO 12 18,179 63,061 18,395 1.00 18.70 6 ATOM 92 OR PRO 12 18,268 62,475 17,318 1.00 19.85 8 ÁTOMO 93 N TRP 13 17,039 63,169 19,059 1.00 15.64 7 ATOM 94 C? TRP 13 15,815 62,568 18,561 1.00 17.91 6 ATOM 95 CB TRP 13 14,688 62,840 19,562 1.00 14.32 6 ÁTOMO 96 CG TRP 13 15.124 62.749 21.006 1.00 16.77 6 ATOM 97 CD2 TRP 13 15,633 61,612 21,703 1.00 16.90 6 ATOM 98 CB2 TRP 13 15,899 62. OOS 23,032 1.00 16.87 6 TOMO 99 CB3 TRP 13 15,867 60,279 21,350 1.00 18.03 6 ATOMO 100 CDl TRP 13 15.106 63.769 21.916 1.00 18.97 6 ATOM 101 UBI TRP 13 15,589 63,343 23,137 1.00 11.16 7 ÁTOMO 102 CZ2 TRP 13 16.405 61.124 23.973 1.00 15.92 6 ÁTOMO 103 CZ3 TRP 13 16,358 59,409 22,301 1.00 10.59 6 ATOM 104 CH2 TRP 13 16,645 59,825 23,611 1.00 17.87 6 ATOMO 105 C TRP 13 15,421 63,033 17,163 1.00 19.47 6 ATOMO 106 OR TRP 13 15,283 64,238 16.908 1.00 17.22 8 ATOMY 107 N ILE 14 15,101 62,078 16,275 1.00 16.57 7 ÁTOMO 108 CA ILE 14 14,666 62,441 14.936 1.00 18.93 6 ATOM 109 CB rus 14 15,185 61,523 13,816 1.00 16.07 6 ATOM 110 CG2 XLB 14 16,720 61,521 13,840 1.00 16.61 6 ÁTOMO 111 CG1 XLE 14 14,582 60,119 13,972 1.00 21.35 6 ATOMO 112 CDl ILE 14 15,045 59,150 12,896 1.00 26.28 6 ATOMO 113 C ILE 14 13,144 62,549 14,825 1.00 20.48 6 ÁTOMO 114 O XLE 14 12,652 63,048 13,817 1.00 19.41 8 ATOM 115 N N 15 154036 1.00 19.46 7 ATOM 116 C? ASN 15 10,935 62,270 15,778 1.00 18.11 6- ATOM 117 CB ASN 15 10,161 60,962 15,731 1.00 13.53 6 ATOM 118 CS ASN 15 10,591 59,946 16,762 1.00 19.11 6 ATOM 119 OD1 ASN 15 11.728 S9.959 17.227 1.00 13.35 8 ATOM 120 ND2 ASN 15 9,688 59,033 17,142 1.00 10.11 7 ATCMO 121 C ASN 15 10,632 63,124 17,005 1.00 17.54 6 ÁTOMO 122 OR ASN 15 11,016 62,735 18,111 1.00 15.32 8 ÁTOMO 123 N VAL 16 10,122 64,331 16,805 1.00 16.86 7 ATOMO 124 CA VAL 16 9.871 65.273 17.893 1.00 15.77 6 ATOMO 125 CB VAL 16 10,761 66,534 17,748 1.00 16.54 6 ATOMS 126 CG1 VAL 16 12,251 66,141 17,733 1.00 13.42 6 ÁTOMO 127 CG2 VAL 16 10,490 67,345 16,491 1.00 18.04 6 ATOM 128 C VAL 16 8,420 65,708 17,921 1.00 19.01 6 ATOMO 129 OR AL '16 7.618 65.381 17.010 1.00 17.12 8 ATOMO 130 N LEU 17 8,022 66,422 18,964 1.00 17.68 7 ATOMO 131 CA LEU 17 6,664 66,962 19,068 1.00 15.11 6 ATOM 132 CB LEU 17 6,162 66,726 20,522 1.00 20.26 6 ATCMO 133 CG LEU 17 5,873 65,251 20,823 1.00 23.07 6 ATOMO 134 CDl LEU 17"5,447 65,013 22,253 1.00 17.70 6 ? TOMO 135 CD2 LEU 17 4.832 64.714 19.855 1.00 26.74 6 ÁTOMO 136 C LEU 17 6,563 68,439 18,732 1.00 16.37 6 ATOMUM 137 OR LEU 17 7.51B 69,187 18,961 1.00 18.24 8 ? VOLUME 138 N GLN 18 5,424 68,931 18,227 1.00 18.55 7 ATOMO 139 CA GLN 18 5,237 70,370 18,032 1.00 19.13 6 ATCMO 140 CB GLN 18 3.790 70.721 17.696 1.00 31.65 6 ATOMO 141 CG GLN 18 3.510 71.249 16.314 1.0037.32 6 ÁTOMO 142 CD GLN 18 2,120 70,902 15,800 1.0036.92 6 ATOM 143 OBI GLN 18 1,953 70,032 14,943 1,0030.97 8 ÁTOMO 144 NE2 GLN 18 1,135 71,618 16,333 1,0031.73 7 ÁTOMO 145 C GLN 18 5,561 71,077 19,348 1.00 19.43 6 ÁTOMO 146 O GLN 18 5,194 70,568 20,413 1,0018.10 8 ÁTOMO 147 N GLU 19 6,317 72,164 19,232 1.00 19.68 7 ATOMO 148 CA GLO 19 6,727 73,045 20,293 1.00 18.88 6 ATOMO 149 CB GLO 19 5,597 73,341 21,293 1,0027.39 6 ATOM 150 CG GLU 19 4,649 74,418 20,714 1,0030.12 6 ATOM 151 CD GLU 19 3,558 74,699 21,720 1,0041.87 6 ÁTOMO 152 OE1 GLO 19 3,857 75,330 22,758 1,0048.83 8 ATOMO 153 OB2 GLO 19 2,421 74,272 21,464 1.00 46.61 8 ATOMUS 154 C GLU 19 8,004 72,622 20,998 1.0021.46 6 ATOM 155 OR GLU 19 8,496 73,405 21,815 1,0026.39 8 ATOMY 156 N ASP 20 8,606 71,506 20,619 1.00 19.91 7 ATOMO 157 CA ASP 20 9,898 71,094 21,114 1,0020.76 6 ATOMO 158 CB ASP 20 10,285 69,649 20,726 1.00 13.47 6 ATOMO 159 CG? SP 20 9,587 68,578 21,526 1.00 13.93 6 ATOMIO 160 OD1? SP 20 8,873 68,805 22,534 1,0017.57 8 ATOM 161 OD2 ASP 20 9.723 67.405 21.104 1.00 13.79 8 ÁTOMO 162 C ASP 20 11,002 71,950 20,451 1.00 19.58 6 ATOM 163 OR ASP 20 10,913 72,219 19,262 1.00 17.49 8 ÁTOMO 164 N SER 21 12,071 72,198 21,174 1.0017.22 7 ATOMO 165 CA SER 21 13,233 72,929 20,659 1.00 17.62 6 ATOMO 166 CB? SER 21 14,011 73,525 21,844 0.50 17.49 6 ATOM 167 CBB SER 21 13,981 73,556 21,846 0.50 13.14 6 ÁTOMO 168 OGA SER 21 14.900 74.516 21.35S 0.5022.95 8 ATCMO 169 OGB SER 21 13,175 74,579 22,416 0.50 6.85 8 ÁTOMO 170 C SER 21 14,181 72,038 19,873 1.00 18.61 6 ATCMO 171 OR SER 21 14,424 70,884 20,265 1.0021.41 8 ATOMO 172 N VAL 22 14,638 72,512 18,721 1.00 15.80 7 ATCMO 173 CA VAL 22 15,585 71,733 17,910 1.00 17.93 6 ATOM 174 CB VAL 22 15,052 71,234 16,560 1.0020.37 6 ÁTOMO 175 CG1 VAL 22 16,093 70,401 15,804 1.00 17.77 6 ATOMO 176 CG2 VAL 22 13.8S8 70,300 16,679 1.00 17.26 6 ATOMO 177 C VAL 22 16,822 72,609 17,665 1.0019.20 6 ATOMO 178 O VAL 22 16.633 73.769 17.291 1.00 18.52 8 ATOMO 179 N THR 23 18,021 72,107 17,917 1,0016.32 7 ATOMO 180 CA THR 23 19,249 72,823 17,648 1.0019.99 6 ATOMO 181 CB THR 23 20,080 73,128 18,911 1,0022.97 6 ÁTOMO 182 OG1 THR 23 19,192 73,749 19,850 1.00 18.42 8 ATOMO 183 CG2 THR 23 21,241 74,057 18,614 1.00 16.78 6 ATOMUM 184 C THR 23 20,098 72,016 16,658 1.0024.68 6 ATOMO 185 OR THR 23 20,509 70,880 16,897 1.0022.59 8 ÁTOMO 186 N LEU 24 20,257 72,618 15,467 1,0023.73 7 ATOMO 187 CA LEU 24 21,081 72,051 14,423 1.0023.11 6 ÁTOMO 188 CB LEU 24 20,427 72,206 13,046 1.0020.25 6 ATOMO 189 CG LEU 24 19,053 71,480 12,959 1.0023.95 6 ATOMO 190 CDl LEU 24 18,324 71,856 11,681 1.0020.78 6 ATOMO 191 CD2 LEU 24 19,251 69,985 13,049 1.0022.74 6 ÁTOMO 192 C LEU 24 22,444 72,763 14,450 1.0025.87 6 ATOM 193 OR LEU 24 22,470 74,008 14,537 1.00 24.57 8 ATOM 194 N THR 25 23,520 71,980 14,367 1.0020.22 7 ATOMO 195 CA THR 25 24,847 72,600 14,336 1.0023.21 6 ATOM 196 CB THR 25 25,656 72,265 15,597 1,0027.69 6 ÁTOMO 197 OG1 THR 25 24.945 72.730 16.755 1.0026.30 8 ATOMO 198 CG2 THR 25 27,041 72,925 15,590 1.0028.49 6 ATOMO 199 C THR 25 25.604 72,166 13,075 1.0022.31 6 ATOMO 200 OR THR '25 25.706 70.951 12.819 1.0023.86 8 ATOMO 201 N CYS 26 26,092 73,134 12.307 1.00 18.68 7 ÁTOMO 202 CA CYS 26 26,832 72,888 11,075 1.0023.20 6 ATOMO 203 C CYS 26 28,345 72,910 11,346 1.0023.06 6 ATOM 204 OR CYS 26 28,957 73,980 11,556 1,0023.76 8 ATOMO 205 CB CYS 26 * 26,509 73,881 9,958 1.00 17.92 6 ATOMO 206 SG CYS 26 27,138 73,358 8,311 1,0022.25 16 ATOMO 207 N GLN 27 28,929 71,729 11,355 1.00 19.35 7 ATOMO 208 CA GLN 27 30,332 71,521 11,658 1.0023.30 6 ATOMO 209 CB GLN 27 30,543 70,209 12,464 1.0029.78 6 ATOMO 210 CG GLN 27 29,623 70,044 13,672 1.0031.50 6 ATOMO 211 CD GLN 27 29,927 68,828 14,518 1.0033.01 6 ATOMO 212 OE1 GLN 27 30,322 67,774 14,032 1.0038.67 8 ATOMUS 213 NE2 GLN 27 29.792 68.895 15.834 1.00 36.36 7 ATOMO 214 C GLN 27 31,169 71,417 10,377 1.00 26.33 6 ATOMO 215 OR GLN 27 30.764 70.856 9.347 1.0023.15 8 ÁTOMO 216 V GLY 28 32,363 72,019 10,438 1.00 27.69 7 ATOM 217 C? GLY 28 33,289 72,019 9,313 1,0028.02 6 ATOMO 218 c GLY 2B 34,022 73,360 9.21S 1.00 29.41 6 ATOMO 219 or GLY 28 33,639 74,335 9.B62 1.0028.46 8 ÁTOMO 220 N ALA 29 35,062 73,421 8,389 1.00 27.48 7 ATOMO 221 CA ALA 29 35,824 74,640 8,210 1.00 27.39 6 ATOM 222 CB ALA 29 36,979 74,353 7,239 1.00 25.91 6 ATCMO 223 C? LA 29 34,959 75,730 7,574 1.00 28.27 6 ATOM 224 or ALA 29 34,315 75,415 6,561 1.00 26.07 8 ATOMO 225 N ARG 30 35,060 76,951 8,064 1,0023.97 7 ATOMO 226 CA ARG 30 34,303 78,055 7,490 1,0027.17 6 ÁTOMO 227 CB ARG 30 33,571 78,823 8,601 1.00 30.34 6 ATOMO 228 CG ARG 30 32,574 78,090 9,460 1.00 34.05 6 ATOM 229 CD ARG 30 32,365 78,880 10,761 1.0033.86 6 ATOMO 230 NE ARG 30 32.407 77.902 11.836 1.00 38.60 7 ATOMO 231 CZ ARG 30 32,487 78,082 13,926 1.00 38.08 6 ATOMO 232 NH1 ARG 30 32,567 79,298 13,635 1.00 36.51 7 ATOM 233 NH2? RG 30 32,467 76,990 13,879 1.00 46.13 7 ATOMO 234 C ARG 30 35,194 79,148 6,880 1.00 26.70 6 ATOMO 235 OR ARG 30 36,399 79,142 7,075 1.00 29.22 8 ATOMO 236 N SER 31 34,573 80,129 6,646 1.00 26.85 7 ÁTOMO 237 CA SER 31 35,315 81,284 5,738 1.0026.56 6 ATOMO 238 CB SER 31 34,682 81,846 4,476 1.00 25.03 6 ATOMO 239 OG SER 31 34,562 80,875 3,477 1.00 27.59 8 ATOMO 240 C SER 31 35,273 82,321 6,861 1.0026.58 6 ATOM 241 OR SBR 31 34,396 82,246 7,739 1,0023.91 8 ATOMO 242 N PRO 32 36,163 83,308 6,839 1.00 23.48 7 ATOMO 243 CD PRO 32 37.224 83.483 5.842 1.00 22.70 6 ATOMO 244 CA PRO 32 36,176 84,350 7,861 1.00 24.75 6 ATOMO 245 CB PRO 32 37,621 84,830 7,805 1.0024.34 6 ATOMO 246 CG PRO 32 38,095 84,571 6,414 1.00 23.77 6 ATOMO 247 C PRO 32 35,172 85,449 7,549 1.00 29.23 6 ATOM 248 OR PRO 32 35,472 86,609 7.223 1.0028.28 8 ATOMO 249 N GLU 33 33,913 85,121 7,709 1.0029.77 7 ATOMO 250 C? GLU 33 32,725 85,896 7,417 1.00 33.37 6 ATOMO 251 CB GLU 33 32,177 85,426 6,073 0.50 35.18 6 ATOMO 252 CBB GLU 33 32.123 85.457 6.084 0.50 31.98 6 ÁTOMO 253 CGA GLU 33 30,795 84,829 5,952 0.50 39.40 6 ATOMO 254 CGB GLU 33 31.776 83.990 5.954 0.50 34.05 6 ATOMO 255 CDA GLU 33 30,394 84,525 4,521 0.50 46.48 6 ATOMO 256 CDB GLU 33 31.601 83.533 4.517 0.5034.67 6 ÁTOMO 257 OE1 GLU 33 29,268 84,856 4,076 0.50 49.23 8 ATOMO 258 OE1 GLU 33 32,194 84,168 3,619 0.50 32.81 8.

ATOMO 259 OE2 GLU 33 31,232 83,952 3.78B 0.50 47.50 8 ÁTOMO 260 OE2 GLU 33 30,877 82,542 4,275 0.50 24.64 8 ÁTOMO 261 C GLU 33. 31,683 85,689 8,519 1,0032.61 6 ATOMO 262 OR GLU 33 31,612 84,600 9,085 1.00 28.72 8 ATOMO 263 N SER 34 30,844 86,682 8,743 1.0032.15 7 ÁTOMO 264 CA SER 34 29.804 86.591 9.764 1.00 32.72 6 ÁTOMO 265 CB SER 34 29,277 88,013 10,037 1.00 34.26 6 ATOMO 266 OG SER 34 28,320 87,931 11,093 1.00 45.88 8 ATOMO 267 C SER 34 28,668 85,674 9,332 1.00 30.93 6 ATOM 268 OR SER 34 28,156 84,883 10,124 1.00 28.87 8 ÁTOMO 269 N ASP 35 28,222 85,773 8,082 1,0028.02 7 ATOMO 270 CA ASP 35 27,167 84,858 7,599 1,0028.62 6 ATOMO 271 CB ASP '35 26,292 85,538 6,585 1.00 29.65 6 ÁTOMO 272 CG ASP 35 25,357 86,639 7,057 1.00 37.43 6 ATOMO 273 OD1 ASP 35 25,027 86,769 8,258 1.00 33.53 8 ? TOMO 274 OD2 ASP 35 24.902 87.396 6.154 1.00 36.01 8 ATOMO 275 C ASP 35 27.882 83.643 6.973 1.00 27.08 6 ATOMO 276 O ASP 35"27,997 83,566 5,756 1.00 28.07 8 ATOMO 277 N SER 36 28,461 82,748 7,774 1.00 25.55 7 ATOMO 278 CA SER 36 29,282 81,680 7,225 1.00 27.45 6 ATOMO 279 CB SER 36 30,440 81,431 8.213 1.00 34.87 6 ATOMO 280 OG SER 36 29,973 80,802 9,405 1.00 39.51 8 ATOMO 281 C SER 36 28,558 80,382 6,890 1.0027.14 6 ATOMO 282 OR SER 36 29,143 79,421 6,363 1,0025.67 8 ATOMO 283 N XLE 37 27,293 80,223 7,231 1,0024.64 7 ATOMO 2B4 CA XLE 37 26,580 78,973 6,977 1.00 24.33 6 ATOMO 285 CB XLE 37 26,164 78,307 8,309 1.00 30.71 6 ATOMO 286 CG2 XLE 37 25,561 76,931 8,032 1.00 26.94 6 ÁTOMO 287 CG1 XLE 37 27,333 78,221 9,308 1.00 21.66 6 ÁTOMO 288 CDl ILE 37 2B.443 77.278 8.867 1.00 27.66 6 ATOMO 289 C XLB 37 25.336 79.159 6.128 1.00 24.08 6 ATOMO 290 OR XLE 37 24,515 80,033 6,390 1.00 23.50 8 ATOMO 291 N GLN 38 25.122 78.314 5.127 1.00 24.52 7 ATOMO 292 C? GLN 38 23,862 78,296 4,399 1,00 23,13 6 ATOMO 293 CB GLN 38 24,016 78,068 2,905 1.00 29.28 6 ATOMO 294 CG GLN 38 24,458 79,296 2,123 1.00 29.86 6 ATOMO 295 CD GLN 38 24,692 78,965 0.661 1.00 33.48 6 ATOMO 296 OE1 GLN 38 25,540 78,122 0.323 1.00 28.34 8 ATOMO 297 NE2 GLN 38 23.922 79.668 -0.177 1.00 38.54 7 ATOMO 298 C GLN 38 23.048 77.128 4.985 1.00 23.81 6? VOLUME 299 OR GLN 38 23.S98 76.022 5.087 1.00 22.62 8 VOLUME 300 N TRP 39 21.807 77.386 5.371 1.00 21.43 7 ATCMO 301 C? TRP 39 20.987 76.304 S.905 1.00 21.73 6 ATOMS 302 CB TRP 39 20,345 76,633 7,257 1.00 21.01 6 ATOMS 303 CG TRP 39 21,264 76,633 8,430 1.00 17.58 6? VOLUME 304 CD2 TRP 39 21,721 75,523 9,212 1,00 17,00 6 ATOMS 305 CE2 TRP 39 22,569 76,033 10,220 1,306 16,071 6,774 6,174 1,00 19,657 6,174 1,00 19,168 6 ATOMO 308 NEI TRP 39 22,626 77,400 10,061 1,00 22,18 7 ATOMO 309 CZ2 TRP 39 23,218 75,220 11,152 1.00 18.29 6 ATOMO 310 CZ3 TRP 39 22.109 73.329 10.091 1.00 21.62 6 ATOMO 311 CH2 TRP 39 22.960 73.874 11.064 1.00 20.15 6 ATOMO 312 C TRP 39 19.890 75.993 4.898 1.00 22.76 6 ATOMO 313 OR TRP 39 19.407 76.925 4.238 1.00 23.42 8 ATOMO 314 N PHE 40 19.533 74.701 4.758 1.00 22.91 7 ATOM 315 C? PHE 40 18,512 74,389 3,754 1.00 26.86 6 ATOMO 316 CB PHE 40 19.121 73.722 2.513 1.00 24.16 6 ATOMO 317 CG PHE 40 20,225 74,429 1,788 1.00 23.96 6 ATOMO 318 CDl PHE 40 21,551 74,280 2,189 1.00 23.61 6 ATOMO 319 CD2 PHE 40 19,945 75,244 0.696 1.00 22.47 6? VOLUME 320 CEI PHE 40 22,564 74,919 1,504 1.00 20.83 6 ATOMO 321 CE2 PHE 40 20,967 75,880 0.020 1.00 21.69 6 ATOMO 322 CZ PHE 40 22,267 75,740 0.432 1.00 21.86 6 ATOMS 323 C PHE 40 17,466 73,435 4,349 1.00 23.51 6 ATOMO 324 OR PHE 40 17,838 72,588 5,151 1.00 21.94 8 ATOMO 325 N HTS 41 16,232 73,575 3,905 1.00 21.59 7 ATOMO 326 C? HXS 41 15.107 72.771 4.366 1.00 24.07 6? TOMO 327 CB HXS 41 14.032 73.572 5.099 1.00 18.72 6 ATOMO 328 CG HXS 41 12.864 72.727 5.548 1.00 23.41 6 ATOMO 329 CD2 HIS 41 12.794 71.415 5.899 1.00 21.85 6. ATOMO 330 ND1 HITS 41 11.588 73.218 5.709 1.00 21.97 7 ATOMO 331 CEI HXS 41 10.789 72.259 6.135 1.00 22.79 6 ATOMO 332 NE2 HXS 41 11.504 71.161 6.268 1.00 21.87 7? VOLUME 333 C HIS 41 14.455 72.163 3.115 1.00 21.83 6 ATOMO 334 OR HXS 41 13.972 72.919 282 1.00 21.37 8 ATOMO 335 N? SN 42 14.576 70.847 2.959 1.00 22.08 7 ATOMO 336 CA? SN 42 14.077 70.196 1.726 1.00 20.46 6 ATOMUM 337 CB? SN 42 12.562 70.322 1.722 1.00 18.21 6 ATOMO 338 CG ASN 42 11.925 69.397 2.761 1.00 22.74 6 ATOMO 339 OD1 ASN 42 12,473 68,343 3,087 1.00 24.40 8? TOMO 340 ND2? SN 42 10,804 69,804 3,341 1.00 18.43 7? VOLUME 341 C? SN 42 14,733 70,811 0.488 1.00 21.32 6 ATCMO 342 OR ASN '42 14,085 71,047 -0,533 1.00 20.13 8 ATOMUM 343 N GLY 43 16,002 71,220 0.568 1.00 20.53 7 ATOMO 344 C? GLY 43 16.767 71.861 -0.480 1.00 20.83 6 ATOMUM 34S C GLY 43 16.586 73.360 -0.661 1.00 24.51 6 ATOMO 346 OR GLY 43 17.209 73.987 -1.550 1.00 25.30 B? VOLUME 347 N? SN 44 15.633 73.970 0.051 1.00 21.27 7 ATCMO 348 C? ASN 44 15.391 75.393 -0.112 1.00 20.46 6 ATOMO 349 CB ASN 44 13.903 75.734 0.000 1.00 23.82 6 ATCMO 350 CG ASN 44 13.049 74.834 -0.891 1.00 22.26 6 ATOMO 351 OD1 ASN 44 12.148 74.144 -0.409 1.00 25.47 8 ATOMO 352 ND2 ASN 44 13.382 74,787 -2,171 1.00 21.59 7 ATCMO 353 C ASN 44 16,208 76,143 0.937 1.00 19.78 6 ATOMUM 354 OR ASN 44 16,180 75,778 2,107 1.0022.07 8 ATOMO 355 N LEU 45 16.907 77.188 0.523 1.0022.22 7 ATOM 356 C? LEU 45 17,730 77,962 1,459 1.00 21.67 6 ATOMO 357 CB LEU 45 18,391 79,141 0.715 1.00 28.15 6 ÁTOMO 358 CG LEU 45 19,159 80,171 1,538 1.0029.14 6 ATOMO 359 CDl LEU 4S 20,479 79,571 2,002 1.0025.07 6 ATOMO 360 CD2 LEU 45 19,452 81,466 0.775 1.00 28.51 6 ATOMO 361 C LEU 45 16,825 78,559 2,525 1.0022.27 6 ATOMO 362 O LEU 45 15,748 78,997 2,118 1.0020.13 8 ATOMO 363 N XLE 46 17,263 78,604 3,766 1.0020.11 7 ATOM 364 C? XLB 46 16,539 79,322 4,835 1.0024.64 6 ATOMO 365 CB XLE 46 16.657 78.S08 6.132 1.0022.24 6 ATONO 366 CG2 XLE 46 16,007 79,134 7,358 1.0021.33 6 ATCMO 367 CGl XLB 46 16,111 77,072 5,945 1,0020.74 6 ATOMO 368 CDl XLB 46 16,664 76,147 7,024 1,0020.48 6 ATOMUM 369 C ILB 46 17,351 80,625 5,006 1.0025.53 6 ATOMO 370 OR XLB 46 18,419 80,600 5,624 1,0022.91 8 ATOMO 371 N PRO 47 16,937 81,747 4,444 1,0030.56 7 ATOMO 372 CD PRO 47 15.704 81.884 3.620 1.0032.61 6 ATOMO 373 C? PRO 47 17,731 82,968 4,434 1,0030.93 6 ATOM 374 CB PRO 47 17,030 83,836 3,363 1.0031.28 6 ATOM 375 CG PRO 47 15,610 83,400 3,441 1.0032.54 6 ATOMO 376 C PRO 47 17,888 83,762 5,706 1.0028.32 6 ATOM 377 OR PRO 47 18,733 84,670 5,747 1.0029.24 8 ATOMO 378 N THR 48 17,092 83,513 6,730 1.0026.79 7 ATOM 379 C? THR 48 17,135 84,298 7,971 1,0026.97 6 ATOM 380 CB THR 48 15,698 84,323 8,532 1,0031.78 6 ATOMO 381 OG1 THR 48 15,241 82,958 8,520 1,0031.45 8 ATOM 382 CG2 THR 48 14,798 85,150 7,605 1,0027.40 6 ATOMO 383 C THR 48 18,075 83,757 9,021 1.0026.31 6 ATOMO 384 OR THR 48 18,206 84,334 10,113 1.0028.00 8 ATOMO 385 N HXS 49 18,698 82,602 8,772 1.00 24.44 7 ? TOMO 386 C? HXS 49 19,612 81,942 9,707 1.0024.19 6 ATOMO 387 CB HIS 49 18,953 80,610 10,174 1.0025.11 6 ATOMO 388 CG HXS 49 17,722 80,939 10,961 1.0022.20 6 ATCMO 389 CD2 HXS 49 16,430 81,109 10,624 1,0027.86 6 ATOMO 390 ND1 HXS 49 17,809 81,225 12,306 1.0029.80 7 ATOMO 391 CEI HXS 49 16,595 81,526 12,762 1.0028.91 6 ATOMO 392 NE2 HIS 49 15,748 81,474 11,761 1.0025.35 7 ATOMO 393 C HXS 49 20,923 81,588 9,041 1.0023.08 6 ATOMO 394 OR HXS 49 20,942 80,805 8.07S 1.0020.57 8 ATOMO 395 N THR 50 22,038 82,162 9,497 1.0025.11 7 ATOMO 396 C? THR 50 23,321 81,974 8,807 1,0022.98 6 ATOMO 397 CB THR 50 23,732 83,314 8,137 1,0023.01 6 ATOM 398 OG1 THR 50 23,843 84,252 9,231 1.00 18,66 8 ATOM 399 CG2 THR 50 22,757 83,817 7,101 1.00 19.07 6 ? TOMO 400 C THR 50 24,460 81,645 9,766 1.0024.61 6 ? TOMO 401 OR THR 50 25,640 81,772 9,393 1.0026.17 8 ATOM 402 402 N GLN 51 24,126 81,274 10,985 1.0024.52 7 ? TOMO 403 C? GLN 51 25,132 80,979 11,995 1.0027.31 6 ATOMO 404 CB GLN 51 24.708 81.505 13.378 1.0028.63 6 ATOMO 405 CG GLN 51 24,438 83,014 13,378 1.00 32.81 6 ATOMO 406 CD GLN 51 25,677 83,810 12,995 1.0038.53 6 ATOMO 407 OBI GLN 51 26.606 83.952 13.802 1.00 37.60 8 ATOMO 408 NB2 GLN 51 25,724 84,331 11,765 1.00 32.79 7 ATOM 409 C GLN 51 25,411 79,487 12,101 1.00 26.69 6 ATOM 410 or GLN 51 24,626 78,636 11,689 1.0026.27 8 ATOM 411 N PRO 52 26,510 79,138 12,769 1.00 25.16 7 ATOMO 412 CD PRO 52 27.553 80.091 13.270 1.0024.54 6 ATOMO 413 C? PRO * 52 26.917 77.763 12.974 1.00 25.24 6 ATOMO 414 CB PRO 52 28.264 77.888 13.708 1.00 26.09 6 ATOMO 415 CG PRO 52 28,804 79,217 13,257 1.00 23.35 6 ATOMO 416 C PRO 52 25,900 76,915 13,722 1.00 25.71 6 ATCMO 417 O PRO 52 25,877 75,687 13,542 1.00 21.61 8 ATOMO 418 N SER 53 * 25,044 77,497 14,556 1.0024.05 7 ATOMO 419 C? SER 53 23,991 76,773 15,239 1.00 25.63 6 ATOMO 420 CB SER 53 24.105 76.711 16.758 1.00 31.86 6 ? TOMO 421 OG SER 53 24,778 75.49S 17,094 1.00 42.46 8 ÁTOMO 422 c SER 53 22,681 77,460 14,854 1.00 24.85 6 ATOMO 423 0 SBR 53 22,681 78,673 14,691 1.00 23.68 8 ATOM 424 N TYR 54 21,658 76,689 14,614 1.00 24.52 7 ATOM 425 C? TYR 54 20,333 77,167 14,212 1.0026.29 6 ATOMO 426 CB TYR 54 20,050 76,886 12,729 1.00 26.92 6 ATCMO 427 CG TYR 54 18,612 76,998 12,274 1.00 30.15 6 ATCMO 428 CDl TYR 54 17,719 77,905 12,825 1.00 29.18 6? VOLUME 429 CEI TYR 54 16.407 78.006 12.409 1.00 31.26 6 ATOM 430 CD2 TYR 54 18,104 76,166 11,280 1.00 31.67 6 ATOMO 431 CB2 TYR 54 16,796 76,217 10,855 1.00 31.66 6 ATOMO 432 CZ TYR 54 15,950 77,151 11,429 1.00 33.63 6 ATOMO 433 OH TYR 54 14,624 77,219 11,038 1.00 34.53 8 ATOMO 434 C TYR 54 19,378 76,450 15,167 1.00 24.84 6 ATCMO 435 O TYR 54 19,300 75,210 15,129 1.00 22.53 8 ATOMO 436 N ARG 55 18,773 77,181 16,070 1.00 21.66 7 ATOM 437 C? ARG 55 17,864 76,650 17,070 1.00 23.60 6 ? TOMO 438 CB ARG 55 18,242 77,157 18,480 1.00 25.95 6 ATOMO 439 CG ARG 55 17,478 76,340 19,551 1.00 23.98 6 ATOMO 440 CD ARG 55 17,651 76,982 20,918 1.00 35.38 6 ÁTOMO 441 NE ARG 55 16,821 76,365 21,956 1.00 27.47 7 ÁTOMO 442 CZ ARG 55 17,278 75,530 22,879 1.00 33.10 6 ATOMO 443 NH1? RG 55 18,570 75,209 22,904 1.00 30.00 7 ATOMO 444 NH2 ARG 55 16,418 75,049 23,778 1.00 32.66 7 ÁTOMO 44S C ARG 55 16,434 77,103 16,780 1.00 27.49 6 ÁTOMO 446 OR ARG 55 16,275 78,312 16,569 1.00 22.62 8 ATOMO 447 N PHE 56 15,455 76,174 16,881 1.00 23.78 7 ATOM 448 C? PHB 56 14,092 76,636 16,510 1.00 21.92 6 ÁTOMO 449 CB PHE 56 13,716 76,495 15,036 1.0025.99 6 ATOMO 450 CG PHE 56 13,819 75,131 14,386 1.00 20.84 6 ATOMO 451 CDl PHE 56 15,019 74.6S3 13.897 1.00 21.33 6 ATOMO 452 CD2 PHB 56 12,705 74,319 14,264 1.00 20.31 6 ? VOLUME 453 CEI PHE 56 15,103 73,415 13,283 1.00 21.52 6 ? VOLUME 454 CE2 PHE 56 12,768 73,077 13,680 1.00 18.36 6 ATOMO 455 CZ PHB 56 13,939 72,616 13,159 1.00 18.3B 6 ATOMO 456 C PHB 56 13,095 75,862 17,372 1.00 23.93 6 ÁTOMO 457 O PHE 56 13,454 74,833 17,921 1.00 22.42 8 ? TOMO 458 N LYS 57 11,865 76,340 17,423 1.00 22.46 7 ATOMO 459 C? LYS 57 10,735 75,659 18,054 1.00 24.34 6 ATOM 460 CB? LYS 57 9,892 76,620 18,881 0.50 28.51 6 ATOMO 461 CBB LYS 57 9,822 76,727 18,669 0.50 22.87 6 ÁTOMO 462 CGA LYS 57 10,656 77,298 20,010 0.50 33.64 6 ÁTOMO 463 CGB LYS 57 8,769 76,208 19,632 0.50 24.29 6 ATOM 464 CD? LYS 57 11,436 76,342 20,892 0.50 40.75 6 ATOM 465 CDB LYS 57 8.631 77,186 20.798 0.50 26.90 6 ÁTOMO 466 CEA LYS 57 12,612 76,990 21,603 0.50 43.07 6 ? TOMO 467 CEB LYS 57 9,138 76,604 22,092 O.SO 29.79 6 ATOMO 468 NZ? LYS 57 12,703 76,630 23,044 0.50 51.71 7 ATCMO 469 NZB LYS 57 8,050 76,265 23,060 0.50 36.22 7 ? TOMO 470 C LYS 57 9,950 74,923 16,969 1.00 21.30 6 ATOMO 471 OR LYS 57 9,436 75,551 16,052 1.00 19.46 8 ATCMO 472 N ALA 58 9.928 73.588 16.945 1.00 18.23 7 ATCMO 473 C? WING 58 9,341 72,864 15,821 1.00 15.74 6 ATOMO 474 CB ALA 58 9.612 71.361 16.094 1.00 9.09 6 ATOMO 475 C ALA 58 7,841 -73,034 15,614 1.00 20.26 6 ÁTOMO 476 OR ALA 58 7,067 73,064 16,574 1.00 18.04 8 ÁTOMO 477 N? SN 59 7,392 73,126 14,367 1.00 18.31 7 TOMO 478 C? ASN 59 5,986 73,071 14,019 1.00 23.04 6 ATOMO 479 CB ASN 59 5,222 74,301 13,612 1.00 32.39 6 ATOMO 480 CG ASN 59 5,880 75,643 13,665 1.00 38.26 6 ATOMO 481 OD1? SN 59 5,855 76,279 14,716 1.00 42.50 8 ÁTOMO 482 ND2 ASN 59 6,426 76,066 12,529 1.00 43.39 7 ATOMUM 483 C ASN 59 5,825 72,052 12,867 1.00 24.07 6 ATOMO 484 OR ASN '59 6,794 71,476 12,365 1.00 21.25 8 ATOMO 485 N ASN 60 4,582 71,833 12,484 1.00 24.40 7 ATOM 486 C? ASN 60 4,192 70,823 11,519 1.00 31.47 6 ATOMO 487 CB ASN 60 2,680 70,893 11,234 1.00 31.46 6 ATOM 488 CGA ASN 60 2,272 69,776 10,274 0.50 31.26 6 ATOMO 489 CGB ASN 60 * 2,221 72,272 10,814 O.SO 35.72 6 ATOM 490 OD1 ASN 60 2,337 68,582 10,597 O.SO 22.52 8 ? TOMO 491 OD1 ASN 60 2,985 73,240 10,768 0.50 33.04 8 ATOMUM 492 ND2? SN 60 1,863 70,175 9,070 0.50 26.04 7 ATOM 493 ND2 ASN 60 0.932 72.391 10.483 0.50 39.47 7 ATOMO 494 C ASN 60 5,006 70,943 10,234 1.00 29.05 6 ATCMO 495 O? SN 60 5,645 69,986 9,780 1.00 32.27 8? VOLUME 496 N ASN 61 5,098 72,153 9.710 1.00 30.20 7? VOLUME 497 CAA ASN 61 5,863 72,487 8,529 0.50 28.68 6? VOLUME 498 CAB ASN 61 5,857 72,367 8,477 0.50 29.13 6? VOLUME? 499 CBA ASN 61 5,564 73,955 8,150 0.50 26.19 6? TOMO 500 CBB ASN 61 5,403 73,671 7,806 0.50 30.25 6? TOMO 501 CGA ASN 61 4.101 74.127 7.792 0.50 27.01 6? VOLUME 502 CGB? SN 61 5.608 74.882 8.678 0.50 32.36 6 ATOM 503 ODl ASN 61 3.502 75.125 8.184 0.50 28.58 8? VOLUME 504 ODl ASN 61 6,383 74,820 9,637 0.50 33.38 8? VOLUME 505 ND2 ASN 61 3.526 73.172 7.071 O.SO 34.39 7 ATOMO 506 ND2 ASN 61 4.927 75.991 8.384 0.50 33.52 7 ATOMO 507 C ASN 61 7.371 72.336 8.628 1.00 25.33 6 ATOMO 508 OR ASN 61 8.030 72.535 7.617 1.00 21.46 8 ATOMO 509 N ASP 62 7.932 71.978 9.767 1.00 24.89 7 ATOMO 510 CA ASP 62 9.373 71.842 9.941 1.00 21.37 6 ATOMO 511 CB ASP 62 9.749 72.284 11.372 1.00 16.89 6 ATOMO 512 CB? SP 62 9.620 73.782 11.538 1.00 26.20 6 ATOMO 513 ODl ASP 62 9.824 74.549 10.570 1.00 20.81 ATOM 514 OD2 ASP 62 9.276 74.273 12.611 1.00 17.90 8 ATOM 515 C ASP 62 9.887 70.439 9.645 1.00 18.69 6 ATOMO 516 O? SP 62 11.104 70.209 9.654 1.00 20.50 8 ATOMO 517 N SER 63 9,011 69,477 9,394 1.00 19.81 7 ATOMO 518 C? SER 63 9,434 68,132 9,015 1.00 19.84 6 ATOM 519 CB SER 63 8.268 67,164 8,811 1.00 22.04 6 ATOMO 520 OG SER 63 7,506 67,018 10,009 .0020.02 8 ATOMO 521 C SER 63 10,196 68,204 7,682 .00 23.89 6 ATOMO 522 OR SER 63 10,015 69,160 6,911 .0017.92 8 ATOM 523 N GLY 64 11,056 67,195 7,467 00 19.50 7 ATOM 524 C? GLY 64 11.769 67.191 6.190 0022.23 6 ATOM 525 C GLY 64 13.272 66.965 6.340 1.00 19.81 6 ATOMO 526 OR GLY 64 13,744 66,564 7.399 1.00 18.93 8 ATOMO 527 N GLU 65 13,980 67,226 5,238 1.00 17.01 7 ATOMO 528 C? GLU 65 15,428 67,013 5,269 1.00 21.39 6 ATOMO 529 CBA GLU 65 15,934 66,562 3,901 0.50 13.64 6 ATOM 530 CBB GLO 65 15,933 66,446 3,947 0.50 23.81 6 ATOMO 531 CGA GLO 65 16,507 65,158 3,813 O.SO 15.71 6 ATOM 532 CGB GLO 65 15,409 65,059 3.602 O.SO 32.15 6 ATOMO 533 CDA GLU 65 16,656 * 64,679 2,381 0.50 22.33 6 ATOMO 534 CDB GLO 65 15,898 63,965 4,520 0.50 40.56 6 ATOMO 535 OB GLU 65 17,428 65,263 1,586 0.50 22.70 8? VOLUME 536 OE1 GLO 65 16,578 64,271 5,525 0.50 41.83 8 ATOMO 537 OB2 GLO 65 15,991 63,686 2,014 0.50 31.04 8 ATOMO 538 OE2 GLU 65 15,624 62,758 4,278 0.50 46.02 8 ATOMUM 539 C GLU 65 16,155 68,324 5,593 1.00 21.56 6 ATOMO 540 OR GLU 65 15,756 69,325 5,007 1.00 21.41 8 ATOMS 541 N TTR 66 17,172 68,268 6,458 1.00 21.38 7 ATOMY 542 C? TYR 66 17.966 69.483 6.691 1.00 17.91 6 • ATOMO 543 CB TYR 66 17.954 69.984 8.129 1.00 17.39 6 ATOMO 544 CG TYR 66 16.620 70.563 8.534 1.00 18.08 6 ATCMO 545 CDl TYR 66 15.605 69.686 8.957 1.00 18.56 6 ATOMO 546 CEI TYR 66 14.369 70.147 9.323 1.00 16.48 6? VOLUME 547 CD2 TYR 66 16.348 71.921 8.485 1.00 18.23 6? VOLUME 548 CE2 TYR 66 15.102 72.382 8.867 1.00 18.37 6 ATOMO 549 CZ TYR 66 14.124 71.516 9.279 1.00 18.98 6 ATOMO 550 OH TYR 66 12.872 71.939 9.624 1.00 14.14 8 ATOMO 551 C TYR 66 19,379 69,231 6,212 1.00 13.96 6 ATOMO 552 OR TYR 66 19,923 68,135 6,353 1.00 18.14 8? VOLUME 553 N THR 67 20,010 70,228 5,568 1.00 17.95 7 ATOMUM 554 C? THR 67 21.374 70.138 5.117 1.00 18.06 6 ATOMO 555 CB THR '67 21,514 69,844 3,599 1.00 22.52 6 ATOMO 556 OG1 THR 67 20,669 70,737 2.83S 1.00 16.85 8 ATOMS 557 CG2 THR 67 21,215 68,371 3,309 1.00 17.46 6 ATCMO 558 C THR 67 22,044 71,508 5.384 1.00 18.76 6 ATOMO 559 OR THR 67 21,354 72,515 5,567 1.00 17.47 8 ATOMO 560 N CYS 68 23,354 71,540 5,389 1.00 19.74 7 ATOMO 561 C? CYS 68 24,099 72,792 5,597 1.00 23.50 6 ATOMO 562 C CYS 68 25,382 72,759 4,758 1.00 23.12 6 ATOMO 563 OR CYS 68 25,791 71,712 4,279 1.00 25.07 8 ATOMO 564 CB CYS 68 24,434 73,082 7,055 1.00 18.70 6 ATOMS 565 SG CYS 68 25,675 71,985 7,798 1.00 23.45 16? VOLUME 566 N GLN 69 25,975 73,920 4,534 1.00 24.47 7 ATOMS 567 C? GLN 69 27,174 74,121 3,770 1.0024.99 6 ATOMO 568 CB GLN 69 26.909 74.344 2.264 1.0027.22 6 ATOMO 569 CG GLN 69 28,155 74,057 1,419 1.00 2S.14 6 ATOMO 570 CD GLN 69 27.857 74.022 -0.065 1.00 32.43 6 ATOMO 571 OBI GLN 69 26,710 74,166 -0,487 1.0031.34 8 ÁTOMO 572 NE2 GLN 69 28,896 73,814 -0,874 1,0027.89 7 ? TOMO 573 C GLN 69 27.901 75.3B3 4.266 1.00 27.60 6 ATCMO 574 O GLN 69 27,289 76,352 4,734 1,0025.37 8 ? TOMO 575 N THR 70 29,206 75,318 4,115 1,0028.73 7 ATOMO 576 C? THR 70 30,059 76,465 4,439 1,0032.10 6 ATOMO 577 CB THR 70 31.125 76.153 5.491 1.00 33.36 6 ATOMO 578 OG1 THR 70 30,619 75,311 6,553 1.0045.26 8 ? TOMO 579 CG2 THR 70 31,453 77,444 6.210 1.00 50.20 6 ATOMO 580 C THR 70 30.737 76.890 3.138 1.00 32.77 6 ATOM 581 OR THR 70 30,680 76,170 2,130 1.00 30.75 8 ATOMO 582 N GLY 71 31,472 78,007 3,175 1.0031.83 7 ATOMO 583 C? GLY 71 32,224 78,469 2,033 1,0027.97 6 ATOMO 584 C GLY 71 33,376 77,544 1,690 1.0029.94 6 ATOMO 5B5 0 GLY 71 33.938 77.668 0.596 1.00 32.37 8 ATOM 5B6 N GLN 72 33,842 76,707 2,594 1.0024.86 7 TOMO 587 C? GLN 72 34,920 75,779 2,457 1.00 27.14 6 ? TOMO 588 CB GLN 72 35,868 75,974 3,667 1.00 27.31 6 ATOM 589 CG GLN 72 36,291 77,451 3,825 1,0030.51 6 ATOMO 590 CD GLN 72 36,961 77,995 2,567 1,0030.53 6 ÁTOMO 591 OE1 GLN 72 37,981 77,441 2,161 1.00 39.95 8 ÁTOMO 592 NE2 GLN 72 36,402 79,014 1,944 1.00 31.16 7 ATOMO 593 C GLN 72 34,530 74,305 2,441 1.00 29.60 6 ÁTOMO 594 O GLN 72 35,419 73,442 2,578 1.00 30.82 8 ATOMO 595 H THR 73 33,248 73,954 2,380 1.0025.83 7 ATOM 596 C? THR 73 32,861 72,549 2,426 1,0026.62 6 ATOMO 597 CB THR 73 32,278 72,135 3,792 1.00 26.64 6 ATCMO 598 OG1 THR 73 31,226 73,051 4.138 1.00 27.54 8 ATOM 599 CG2 THR 73 33,313 72,124 4,897 1.0028.16 6 ? TOMO 600 C THR 73 31,824 72,223 1,371 1,0026.31 6 ? TOMO 601 OR THR 73 31.210 73.110 0.776 1.0028.00 8 ? TOMO 602 N SER 74 31,685 70,927 1,074 1,0028.62 7 TOMO 603 C? SER 74 30,592 70,605 0.112 1.00 29.44 6 ATOMO 604 CB SER 74 31,020 69,470 -0,803 1.0030.45 6 ATOMO 605 OG SER 74 31.407 68.399 0.034 1.00 41.05 8 ATOMO 606 C SER 74 29,366 70,395 0.992 1.0026.65 6 ATOMUM 607 OR SER 74 29,461 70,438 2,228 1.00 25.57 8 ? TOMO 608 N LEU 75 28,178 70,281 0.442 1.00 29.47 7 ATOMO 609 CA LEU 75 26,915 70,163 1,158 1.0025.10 6 ÁTOMO 610 CB LEU 75 25,749 70,141 0.159 1.0027.83 6 ? TOMO 611 CG LEU 75 24,348 70,136 0.777 1.00 27.24 6 ATOM 612 CDl LEU 75 23,888 71,554 1,094 1.0024.13 6 ATOMO 613 CD2 LEU 75 23,349 69,420 -0,133 1.0024.42 6 ATOMO 614 C LEU 75 26,884 68,973 2,087 1.00 25.84 6 ATOM 615 OR LEU 75 27,300 67,858 1,711 1.00 22.45 8 ATOM 616 N SER 76 26,376 69,158 3,315 1.0023.31 7 ATOM 617 C? SER 76 26,357 68,009 4,219 1.00 25.20 6 ATOM 618 CB SBR 76 25,916 68,402 5,644 1,0026.64 6 ATOM 619 OG SER 76 24,514 68,663 5,624 1,0029.43 8 ÁTOMO 620 C SER 76 25,346 66,955 3,738 1.0023.00 6 ATOMO 621 OR SER 76 24,431 67,304 3,006 1.0021.02 8 ATOMO 622 N? SP 77 25.506 65.739 4.241 1.0022.24 7 ATOM 623 C? ? SP 77 24,493 64,712 4,094 1,0026.03 6 ÁTOMO 624 CB? SP 77 24,907 63,362 4,683 1.0020.27 6 ATOMO 625 CG? SP 77 25,914 62,676 3,758 1.0025.73 6 ATOMO 626 OD1? SP "77 25,821 62,893 2,541 1,0023.79 8 ATOM 627 OD2? SP 77 26,769 61,954 4,292 1.0028.92 8 ATOMO 628 C? SP 77 23,267 65,191 4,929 1.00 25.85 6 ATCMO 629 O? SP 77 23,423 65,904 5,914 1.0024.00 8 ATOM 630 N PRO 78 22,098 64,758 4,492 1.00 27.37 7 ATOM 631 CD PRO 78 21,917 63,917 3,275 1.0026.84 6 ATOMO 632 C? PRO 78 20,849 65,130 5,098 1.00 25.42 6 ATOMO 633 CB PRO 78 19.795 64.592 4.141 1.0028.38 6 ATOMO 634 CG PRO 78 20,453 63,586 3,272 1,0027.24 6 ATOM 635 C PRO 78 20.S7S 64,556 6,479 1.00 25.28 6 ATOMO 636 OR PRO 78 21,006 63,459 6,820 1.00 23.68 8 ATOMO 637 N VAL 79 19,833 65,331 7,265 1.00 20.24 7 ATOM 638 C? VAL 79 19,287 64,861 8,535 1.00 18.86 6 ATOMO 639 CB VAL 79 19,850 65,516 9,783 1.00 19.49 6 ATOMO 640 CG1 VAL 79 19,042 65,239 11,046 1.0022.25 6 ATOMO 641 CG2 VAL 79 21,275 64,959 10,036 1.00 21.95 6 ATOMO 642 C VAL 79 17,777 65,046 8,399 1.00 19.76 6 ATOMO 643 O VAL 79 17,283 66,130 8.076 1.0022.34 8 ATOMO 644 N HXS 80 17,024 63,955 8,566 1.00 19.43 7 ATOM 645 C? HXS 80 15,584 63,976 8,387 1.00 18.11 6 ATOMO 646 CB HXS 80 15,130 62,621 7,784 1.00 26.87 6 ATOM 647 CG HXS 80 13,712 62,754 7,293 1.00 31.93 6 ATOM 648 CD2 HXS 80 13,194 62,983 6,069 1.00 27.05 6 ATOMO 649 ND1 HIS 80 12,637 62,697 8,176 1.0034.35 7 ATOMO 650 CEI HXS 80 11,525 62,847 7,480 1.00 34.80 6 ATOM 651 NE2 HIS 80 11,831 63,016 6,210 1.00 34.81 7 ATOM 652 C H1S 80 14,865 64,187 9.718 1.0023.08 6 ATOM 653 OR HXS 80 15,096 63,496 10,709 1.00 23.37 8 ÁTOMO 654 N LEU 81 13,953 65,138 9,747 1.00 19.18 7 ATOMO 655 C? LEU 81 13,244 65,478 10,957 1.0021.58 6 ÁTOMO 656 CB LEU 81 13,567 66,937 11,331 1.00 18.20 6 ? TOMO 657 CG LEU 81 12,847 67,381 12,605 1.00 18.21 6 ? TOMO 658 CDL LEO 81 13,496 66,708 13,812 1.00 19.39 6 ATOMO 659 CD2 LEO 81 12,865 68,912 12,696 1.00 14.76 6 ATOMO 660 C LEO 81 11,747 65,255 10,783 1.00 19.36 6 ATOMO 661 OR LEO 81 11,225 65,543 9.720 1.0020.96 8 ATOM 662 N THR 82 11,100 64,689 11,793 1.00 19.61 7 ATOMO 663 C? THR 82 9,642 64,463 11,680 1.00 18.45 6 ATOM 664 CB THR 82 9,316 62,950 11,683 1.00 25.98 6 ÁTOMO 665 OG1 THR 82 9.907 62.351 10.527 1.00 18.89 8 ATOMO 666 CG2 THR 82 7,795 62,775 11,666 1.00 24.98 6 ATOMO 667 C THR 82 8,971 65,100 12,891 1.00 16.02 6 ATOMO 668 OR THR 82 9,248 64,735 14,035 1.00 14.79 8 ATOMO 669 N VAL 83 8.075 66,045 12,647 1.00 16.23 7 ATOM 670 C? VAL 83 7,451 66,758 13,953 1.00 16.97 6 ATOM 671 CB VAL 83 7,559 68,282 13,530 1.00 12.81 6 ATOMO 672 CG1 VAL 83 7,051 68,972 14,799 1.00 15.92 6 ATOM 673 CG2 VAL 83 8,986 68,760 13,246 1.00 11.78 6 ATOM 674 C VAL 83 6,020 66,264 13,892 1.00 19.97 6 ATOMO 675 O VAL 83 5,261 66,329 12,918 1.00 18.57 B ATOMO 676 N LEO 84 5,686 65,756 15,075 1.00 16.89 7 TOMO 677 C? LEO 84 4,372 65,188 15,312 1.00 19.89 6 ATOMO 678 CB LEO 84 4,621 63,786 15,890 1.00 18.15 6 ATOM 679 CG LEU 84 5,491 62,863 15,021 1.00 23.40 6 ATOM 680 CDl LEU 84 5,927 61,690 15,868 1.00 25.20 6 ATOMO 681 CD2 LEU 84 4,752 62,396 13,958 1.00 20.46 6 ÁTOMO 682 C LEU 84 3,487 66,016 16,228 1,0022.29 6 ATCMO 683 OR LEU 84 3.928 66.891 16.975 1.0023.90 8 ATOMO 684 N PHE 85 2,189 65,750 16,218 1.00 21.03 7.

ATOM 685 C? PHE 85 1,254 66,444 17,111 1.00 22.92 6 ATOMO 686 CB PHE 85 0.399 67.431 16.333 1.00 21.76 6 ATCMO 687 CG PHE 85 -0.440 68.350 17.184 1.00 27.90 6 ATOMO 68B CDl PHB 85 0.103 69,013 18,266 1.00 28.30 6 ATOM 689 CD2 PHE 85 -1.787 68,533 16,899 1.0026.61 6 ATOMO 690 CEI PHE 85 -0.664 69.874 19.040 1.0029.65 6 ÁTOMO 691 CE2 PHE 85 -2,559 69,386 17,668 1.00 25.61 6 ATOMO 692 CZ PHE 85 -1,996 70,047 18,733 1,0028.75 6 ATOMO 693 C PHE 85 0.455 65.399 17.852 1.00 21.99 6 ATOMO 694 OR PHE 85 -0,642 65,000 17,426 1.0022.11 8 ATCMO 695 N GLU 86 1,023 64,883 18,938 1.00 20.76 7 ATOMO 696 C? GLU 86 0.421 63.762 19.702 1.00 18.04 6 ATOMO 697 CB GLU '86 1,142 62,463 19,210 1,0020.84 6 ATOMO 69B CG GLU 86 0.711 61.815 17.911 1.0025.05 6 ATOMO 699 CD GLO 86 1,647 61,048 17,019 1.00 41.96 6 ÁTOMO 700 OE1 GLO 86 2.719 60.507 17.416 1.00 46.14 B ATOM 701 OE2 GLU 86 1,429 60,893 15,765 1.00 40.77 8 ATOMO 702 C GLO 86 0.694 64.026 21.176 1.00 18.46 6 ATOMO 703 OR GLU 86 1,588 64,839 21,462 1.00 16.67 8 ATOMO 704 N TRP 87 0.031 63.408 22.156 1.00 12.60 7 ATOM 705 C? TRP 87 0.328 63.631 23.553 1.00 13.01 6 ÁTOMO 706 CB TRP 87 -0.808 63,056 24,411 1.00 18.40 6 ATOMO 707 CG TRP 87 -1.922 64.023 24.687 1.0021.87 6 ÁTOMO 708 CD2 TRP 87 -1,812 65,176 25,521 1,0021.14 6? VOLUME 709 CE2 TRP 87 -3,065 65,805 25,526 1,0024.31 6 ? TOMO 710 CE3 TRP 87 -0.767 65.738 26.255 1.0024.84 6 ATOM 711 CDl TRP 87 -3,216 63,985 24,231 1.0022.52 6 ATOMO 712 NEI TRP 87 -3.907 65,069 24,734 1.00 22.53 7 ATOM 713 CZ2 TRP 87 -3,303 66,966 26,266 1.0029.91 6 ? TOMO 714 CZ3 TRP 87 -0,998 66,890 26,987 1.0029.83 6 ATOMO 715 CH2 TRP 87 -2,254 67,499 26,970 1.0029.09 6 ? TOMO 716 C TRP 87 1,599 62,967 24,068 1.00 15.44 6 ATOMO 717 OR TRP 87 2,178 63,499 25,018 1.00 16.68 8 ATCMO 718 N LEU 88 2,036 61,873 23,447 1.00 14.44 7 ATOMO 719 C? LEU 88 3,153 61,051 23,861 1,0020.07 6 ATOM. 720 CB LEU 88 2,596 59,942 24,783 1.00 17.49 6 ATOM 721 CG LEU 88 3,608 59,303 25,769 1.00 16.97 6 ATOM 722 CDl LEU 88 4,062 60,299 26,830 1.00 17.38 6 ATOMO 723 CD2 LEU 88 2,987 58,053 26,370 1.0013.93 6 ATOMO 724 C LEU 88 3,889 60,399 22,677 1,0020.44 6 TOMO 725 OR LEO 88 3,255 59,857 21,752 1.00 19.65 8 ATOMO 726 N VAL 89 5.218 60.517 22.620 1.00 18.11 7 ATOMO 727 C? VAL 89 5,998 59,926 21,542 1.00 14.66 6 ATOM 728 CBA VAL 89 6,686 61,029 20,699 0.50 7.52 6 ATOMO 729 CBB VAL 89 6.677 60.941 20.604 0.50 13.86 6 ATCMO 730 CG1 VAL 89 7.573 61.890 21.597 0.50 7.13 6 ATOMO 731 CG1 VAL 89 5,696 61,409 19,543 0.50 15.87 6 ATOMO 732 CG2 VAL 89 7,501 60,486 19,531 O.SO 3.91 6 ? TOMO 733 CG2 VAL 89 7.264 62.090 21.402 O.SO 18.65 6 ? TOMO 734 C VAL 89 7,109 59,032 22,107 1.00 15.71 6 ATOM 735 OR VAL 89 7,689 59,262 23,179 1.00 14.52 8 ATOM 736 N LEO 90 7,379 57,958 21,386 1.00 15.13 7 ? TOMO 737 C? LEU 90 8,520 57,133 21,703 1.00 13.72 6 ATCMO 738 CB LEU 90 8,287 55,625 21,488 1.00 17.87 6 ? TOMO 739 CG LEO 90 9,650 54,978 21,873 1,0026.07 6 ATOM 740 CDl LEO 90 9,479 54,066 23,036 1,0030.57 6 ATOM 741 CD2 LEO 90 10,373 54,463 20,662 1.0025.07 6 ? TOMO 742 C LEU 90 9,657 57,674 20,803 1.00 17.58 6 ATOM 743 OR LEO 90 9,611 57,517 19,576 1.00 14.46 8 ATOM 744 N GLN 91 10,673 58,298 21,412 1.00 15.83 7 ATOM 745 C? GLN 91 11,745 58,908 20,623 1.00 17.70 6 ATOM 746 CB GLN 91 12,252 60,238 21,264 1.00 15.03 6 ATOMO 747 CG GLN 91 11,105 61,231 21,472 1.00 12.81 6 ATOM 748 CD GLN 91 11,564 62,636 21,868 1.00 15.79 6 ATOMO 749 OE1 GLN 91 12,023 62,823 22,988 1.00 14.61 8 ÁTOMO 750 KE2 GLN 91 11,409 63,610 20,984 1.00 16.27 7 ATCMO 751 C GLN 91 12,971 58,042 20,375 1.00 17.71 6 ATOMO 752 OR GLN 91 13,370 57,296 21,268 1.00 19.37 8 ATOMUS 753 N THR 92 13.607 58.207 19.218 1.00 14.05 7 ATOMO 754 C? THR 92 14,853 57,488 18,934 1.00 19.01 6 ATOM 755 CB THR 92 14,562 56,225 18,089 1.00 16.40 6- ATOM 756 OG1 THR 92 15.769 55.485 17.905 1.00 18.39 8 ATOM 757 CG2 THR 92 13,943 56,499 16,720 1.00 10.45 6 ATOMO 758 C THR 92 15,803 58,416 18,173 1.00 18.96 6 ATOMO 759 OR THR 92 15,339 59,272 17.409 1.00 21.88 8 ATOMO 760 N PRO 93 17,095 58,153 18,251 1.00 18.78 7 ATOMO 761 CD PRO 93 17,747 57,169 19,135 1.0022.16 6 ATOMO 762 CA PRO 93 18,090 58,929 17,530 1.0024.37 6 ? TOMO 763 CB PRO 93 19,352 58,803 18,371 1.0024.99 6 ATOM 764 CG PRO 93 19,162 57,609 19,235 1.00 26.05 6 ? TOMO 765 C PRO 93 18,285 58,362 16,138 1.00 27.02 6 ATOM 766 OR PRO 93 18,852 59,019 15,248 1.00 27.04 8 ATOM 767 N HXS 94 17,978 57,069 15,960 1.0024.22 7 ATOM 768 C? Hrs' 94 18,114 56,421 14,651 1,0025.72 6 ATOM 769 CB HXS 94 19,444 55,690 14,439 1.00 20.09 6 ATOMO 770 CG HXS 94 20,639 56,587 14,595 1.0021.67 6 ATOM 771 CD2 HXS 94 21,161 57,530 13,998 1.00 23.30 6 ATOMO 772 NDl HXS 94. 21,380 56,595 15,754 1,0027.49 7 ATOMO 773 CEI HXS 94 22,338 57,501 15,657 1.00 26.54 6 ATOM 774 NE2 HXS 94 22,211 S8,078 14,482 1.00 32.10 7 ÁTOMO 775 C HIS 94 17,038 55,350 14,453 1.00 24.49 6 ATOM 776 OR HXS 94 16,481 54,838 15,429 1.0024.01 8 ? TOMO 777 N LEO 95 16,847 54,929 13,214 1.00 21.96 7 ATCMO 778 C? LEU 95 15,900 53,847 12,960 1.0026.06 6 ATCMO 779 CB LEU 95 15.014 54.118 11.741 1.00 26.66 6 ATOM 780 CG LEU 95 13.994 55.248 11.899 1.003S.19 6 ATOMO 781 CDl LEO 95 13.449 55.601 10.525 1 .00 25 .66 6? VOLUME 782 CD2 LEU 95 12.895 54.908 12.900 1. 00 24 .13 6 ATOMO 7 78833 C LEU 95 16,626 52,525 12,720 1 .00 26 .30 6 ATOMY 7 78844 OR LEU 95 15,999 51,464 12,790 1 .00 26 .83 8 ATOMS 785 N GLU 96 17,884 52,601 12,326 1 .00 25. 44 7 ATOM 786 C? GLU 96 18.6B8 51,413 12,087 1 .00 28 .55 6 ATOMO 787 CB GLU 96 19,062 51,144 10,634 1 .00 28 .97 6 ATOM 788 GL GLU 96 17,977 51,334 9,605 1 .00 34 .46 6 ATOM 789 CD GLU 96 18,414 51,109 8,168 1,004 .7 7 6 ATOM 790 OBI GLU 96 19,560 50,709 7,882 1 .00 41 .53 8 ATOMO 791 OE2 GLU 96 17,592 51,343 7,256 1 .00 45 .31 8 ATOMS 792 C GLU 96 19,995 51,575 12,885 1 .00 32 .22 6? VOLUME 793 OR GLU 96 20,525 52,686 13,015 1 .00 3 .68 8 ATOMO 794 N PHE 97 20,396 50,487 13,538 1 .00 29 .38 7? TOMO 795 C? PHE 97 21,622 50,447 14,315 1 .00 31 .45 6 ATOM 796 CB PHE 97 21,388 50,351 15,832 1 .00 29 .88 6? TOMO 797 CG PHE 97 20,640 51,497 16,464 1 .00 28 .91 6 ATOMO 798 CDl PHE 97 19,256 51,580 16.386 1 .00 19 .88 6 ATOMO 799 CD2 PHE 97 21.311 52.503 17.131 1 .00 27. .06 6 ATOMO 800 CEI PHE 97 18,557 52,624 16,971 1 .00 23 .29 6 ATOMO 801 CE2 PHE 97 20,622 53,545 17,719 1 .00 23. .27 6 ÁTOMO 802 CZ PHE 97 19,244 53,626 17,636 1 .00 25. .87 6 ATOMO 8 80033 C PHE 97 22,455 49,233 13,861 1 .00 31 .11 6? VOLUME 8 80044 OR PHE 97 22,007 48,334 13,164 1 .00 32, .31 8 ATOMO 8 80055 N GLN 98 23,726 49,213 14,219 1 .00 34. .14 7 ATOM 806 C? GLN 98 24,636 48,131 13,939 1 .00 33. .31 6 ATOMO 807 CB GLN 98 26,042 4B.629 13,635 1 .00 38. .15 6 ATOMO 808 CG GLN 98 26,207 49,422 12,356 1 .00 45. .65 6 ATOMO 809 CD GLN 98 25,763 48,712 11,097 1. .00 49. .99 6 ATCMO 810 OE1 GLN 98 26,455 47,828 10,589 1 .00 52. .58 8 ATOMO 811 NE2 GLN 98 24,603 49,088 10,563 1. .00 53. .06 7? VOLUME 8 81122 C GLN 98 24,662 47,218 15,172 1 .00 31. .48 6 ATOMO 8 81133 O GLN 98 24,459 47,664 16,300 1. .00 27. .98 8 ATOMO 814 N GLU 99 24,990 45.9 S5 14.920 1. .00 30. .75 7 ATOM 815 C? GLU 99 25,112 44,978 16,009 1. .00 32. .56 6? VOLUME 816 CB GLU 99 25,598 43,653 15,420 1 1 .. .00 36. .89 6? VOLUME 817 CG GLU 99 25,204 42,392 16,141 1 1 ... 0000 4444 ... 86 6 ATOMO 818 CD GLU 99 24.771 41.288 15.184 1 1 ... 0000 4488, .. 45 6? VOLUME 819 OB GLU 99 23.802 40.573 15.521 1, .00 53. .90 8 ATOMO 820 OE2 GLU 99 25.400 41.148 14.118 1. .00 50., 56 8? VOLUME 8 82211 C GLO 99 26,130 45,551 16,992 1. .00 31. .14 6 ATOMUM 882222 OR GLU 99 27,136 46,048 16,475 1. .00 31. .94 8 ATOMO 882233 N GLY 100 25,919 45,571 18,275 1. .00 32. .19 7 ATOMO 824 C? GLY 100 26,874 46,123 19,217 1. .00 31., 10 6 ATOMO 825 c GLY 100 26,643 47,541 19,696 1. .00 31. .51 6 ATOMO 8 82266 or GLY 100 27,082 47,931 20,789 1. .00 30. .30 8 - ATOMO 882277 N GLO 101 25,948 48,369 18,921 1. .00 34. .41 7 ATOM 828 C? GLO 101 25,675 49,746 19,297 1. .00 34., 07 6 ATOMO 829 CB GLO 101 24,949 50,452 18,148 1. .00 37, 86 6 ATOMUS 830 CG GLO 101 25,777 50,676 16,889 1.00 48. 38 6 ATOMUS 831 cb GLO 101 24.984 51.520 15.895 1. .00 49., 17 6 ATOM 832 OBI GLU 101 24,251 52,408 16,385 1. .00 58., 51 8 ATOM 833 OE2 GLU 101 25,046 51,333 14,669 1. .00 48. 56 8 ATOM 8 83344 c GLU 101 24.783 49.848 20.537 1. .00 33. 06 6 ATONO 883355 or GLU 101 24.086 48.888 20.886 1. .00 27., 70 8 ATOM 836 N THR 102 24.747 51.057 21.107 1. .00 31. 92 7 ATOMO 837 C? THR 102 23,870 51,303 22,248 1.00 32. 85 6 ATOMO 838 CB THR. 102 24.508 52.161 23.341 1. 00 35. 75 6 ATOMO 839 OG1 THR 102 25,546 51,438 24,021 1. .00 36. 79 8 ATOM 840 CG2 THR 102 23,532 52,577 24,441 1. .00 35. 82 6 ATOMO 8 84411 C THR 102 22,582 51,944 21,721 1. 00 32. 54 6 ATOMO 884422 OR THR 102 22,650 52,932 20,991 1,00 30. 03 8 ATOM 843 N ILE 103 21,431 51,329 22,014 1. 00 28. 53 7? VOLUME 844 C? ILE 103 20,162 51,939 21,590 1. 00 25. 40 6 ATCMO 845 CB XLE 103 19,131 50,873 21,163 1. 00 26. 58 6 ATCMO 846 CG2 XLE 103 17,776 51,496 20,828 1,00 25. 47 6 ATOMO 847 CG1 ILE 103 19,669 50,080 19,971 1. 00 21., 79 6 ATOMO 848 CDl XLE 103 18.739 49.003 19.438 1. 00 19. 73 6 ATOMUM 849 C XLE 103 19,624 52,753 22,767 1. 00 25. 27 6 ATOM 850 or ILE 103 19,439 52,181 23,853 1.00 23 06 8 ATOMO 851 N MET 104 19,443 54,059 22,591 1.00 24.90 7 ATOMO 852 CA MET 104 18,893 54,913 23,639 1,0021.55 6 ÁTOMO 853 CB MBT 104 19.797 56.097 23.963 1.00 33.48 6 ATOMO 854 CG MET 104 20,810 55,826 25,101 1.0029.68 6 ATOMO 855 SD MBT 104 21,940 57,256 25,242 1.00 46.02 16 ATOMO 856 CE MET 104 22,667 57,216 23,589 1.00 31.10 6 ATOM 857 C MET 104 17,528 55,456 23,215 1.0021.27 6 ATOM 85B OR MBT 104 17,374 55,991 22.106 1.0022.96 8 ATOMO 859 N LEU 105 16,503 55,242 24,027 1,0020.55 7 ATOM 860 C? LEU 105 15,134 55,668 23,728 1.0022.33 6 ATOM 861 CB LEO IOS 14,192 54,450 23,550 1.00 14.66 6 ATOM - 862 CG LEO IOS 14,713 53,389 22,561 1.00 18.89 6 ATOM 863 CDl LEO 105 13,996 52,178 22,489 1.00 19.44 6 ATOM 864 CD2 LEO 105 14,882 54,056 21,186 1.00 18.70 6 ? VOLUME 865 C LEU 105 14.567 S6.SS9 24.817 1.00 20.15 6 ATOMOM 866 OR LEO 105 15,050 56,506 25,950 1.00 18.39 8 ? TOMO 867 N ARG 106 13,523 57,324 24,483 1.00 18.25 7 TOMO 868 C? ? RG 106 12,912 58,174 25,516 1.00 17.87 6 ÁTOMO 869 CB? RG 106 13.607 59.553 25.S08 1.00 14.96 6 ATOM 870 CG ARG 106 12,834 60,597 26,290 1.00 16.79 6 ATOMO 871 CD ARG 106 13,699 61,788 26,757 1.00 19.51 6 TOMO 872 NE ARG 106 13,334 62,927 26,025 1,0023.46 7 ATOM 873 CZ? RG 106 12,990 64,174 26,065 1.00 24.43 6 ATOMO 874 NH1 ARG 106 12.923 64.892 27.176 1.0025.93 7 ATOM 875 NH2 ARG 106 12,697 64,795 24,936 1.00 18.72 7 ATOM 876 C ARG 106 11,422 58,321 25,304 1.00 18.56 6 ATOMO 877 O? RG 106 10,998 58,479 24,142 1,0020.43 8 ATOMO 878 N CYS 107 10,642 58,246 26,378 1.00 15.23 7 ATOM 879 C? CYS 107 9,189 58,419 26,292 1.00 14.89 6 ATOMO 880 c CYS 107 8,934 59,891 26,583 1.00 15.28 6 ATOMO 881 0 CYS 107 9,296 60,294 27,690 1.00 15.96 8 ATOMO 882 CB CYS 107 8,438 57,565 27,322 1.00 14.55 6 ATOMO 883 SG CYS 107 6,691 57,368 27,013 1.00 13.91 16 ATOM 884 N HXS 108 8,446 60,653 25,604 1.00 15.07 7 ATCMO 885 C? BIS 108 8.334 62.103 25.811 1.00 11.91 6 ATOMO 886 CB HXS 108 9.190 62.757 24.708 1.00 16.03 6 ATOM 887 CG HXS 108 9.119 64.240 24.572 1.00 16.94 6 ATCMO 888 CD2 HXS 108 9,068 65,023 23,462 1.00 17.64 6 ATOMO 889 ND1 HXS 108 9.103 65.108 25.657 1.00 17.41 7 ATOM 890 CEI HXS 108 9,034 66,350 25,215 1.00 17.37 6 ATOM 891 NE2 HXS 108 9,021 66,333 23,895 1.0020.00 7 ATOMO 892 C HXS 108 6,925 62,647 25,733 1,0011.83 6 ATOM 893 OR HXS 108 .6,224 62,361 24,762 1.00 12.54 8 ATOM 894 N SER 109 6,515 63,502 26,654 1.00 13.70 7 ATOM 895 C? SER 109 5,160 64,091 26.605 1.00 11.70 6 ATOM 896 CB SER 109 4,583 64,134 28,041 1.00 13.47 6 ATOMO 897 OG SER 109 5,609 64,845 28,800 1.00 16.16 8- ATOMO 89B C SER 109 5,190 65,459 25,970 1.00 14.21 6 ATOM 899 OR SER 109 6,180 66,232 25,903 1.00 14.63 8 ATCMO 900 N TRP 110 4,047 65,804 25,381 1.00 16.58 7 ATOM 901 C? TRP 110 3.860 67.102 24.708 1.00 16.04 6 ATCMO 902 CB TRP 110 2,480 67,158 24,072 1.00 18.73 6 ATOMO 903 CG TRP 110 2,187 68.42S 23.306 1.0021.24 6 ATOM 904 CD2 TRP 110 1,135 69,339 23,589 1.0020.70 6 ATOMO 905 CE2 TRP 110 1,193 70,361 22,616 1.0025.92 6 ATOM 906 CE3 TRP 110 0.112 69.372 24.549 1.0024.16 6 ATOMO 907 CDl TRP 110 2,827 68,908 22,214 1.0022.22 6 ÁTOMO 908 NEI TRP 110 2,233 70,069 21,765 1,0022.81 7 ATOMO 909 CZ2 TRP. 110 0.276 71.404 22.568 1.0024.18 6 ATOMO 910 CZ3 TRP 110 -0,781 70,434 24.509 1.0030.15 6 ATOMO 911 CH2 TRP 110 -0.698 71.433 23.526 1.0031.04 6 ATOMO 912 C TRP 110 4,082 68,245 25,681 1.00 14.44 6 ATOMO 913 OR TRP 110 3,665 68,219 26.852 1.00 17.08 8 ATOM 914 N LYS 111 - 4,928 69,199 25,294 1.00 19.42 7 ATOM 915 C? LYS 111 5,347 70,325 26,115 1.00 19.40 6 ATOM 916 CB LYS 111 4,131 71,241 26,418 1,0021.00 6 ATOM 917 CG LYS 111 3,583 71,904 25,155 1.00 24.94 6 ? TOMO 91B CD LYS 111 2,124 72,287 25,337 1.00 34.17 6 ATOMO 919 CE LYS lil 1,952 73,719 25,781 1.00 37.49 6 ATCMO 920 NZ LYS 111 2,783 74,668 24,987 1,0052.66 7 ATOMO 921 C LYS 111 5,940 69,921 27,450 1,0020.33 6 ATOMO 922 OR LYS 111 5,905 70,694 28,419 1.00 16.80 8 ATOMO 923 H? SP 112 6,444 68,695 27.602 1.00 18.28 7 ATOMO 924 C? ? SP 112 6,989 68,233 2B.861 1.00 20.31 6 ATOM 925 CB? SP 112 8,242 69,088 29,191 1.00 24.52 6 ATOMO 926 CG? SP 112 9,306 68,737 28,155 1.00 31.39 6 ? TOMO 927 OD1? SP 112 9.700 67.54S 28.119 1.00 39.68 8 ATOMO 92T OD2? SP 112 9.719 69.588 27.360 1.00 35.00 8 ATOMO 929 C? SP 112 6.015 68.203 30.018 1.00 23.40 6 ? TOMO 930 OR? SP 112 6,426 68,475 31,148 1.00 23.42 8 ATOM 931 N LYS 113 4.731 67.889 29.785 1.00 23.10 7 ATOMO 932 C? LYS 113 3,792 67,721 30,891 1.00 22.35 6 ? TOMO 933 CB LYS 113 2,352 67,432 30,437 1.00 21.68 6 ÁTOMO 934 CG LYS 113 1.7S8 68,611 29,659 1.00 27.09 6 ATOM 935 CD LYS 113 0.232 68,574 29.608 1.00 28.34 6 ATOM 936 CE LYS 113 -0,269 69,780 28,816 1.00 32.92 6 ATOM 937 NZ LYS 113 -0,196 71,075 29,554 1.00 33.55 7 ATOM 938 C LYS 113 4,352 66,597 31,748 1.00 19.86 6 ÁTOMO 939 O LYS 113 4,890 65,603 31,264 1.00 21.45 ß ATOM 940 N PRO 114 4,288 66,761 33,066 1.00 20.08 7 ATOM 941 CD PRO 114 3,701 67,928 33,768 1.00 16.95 6 ATOM 942 C? PRO 114 4.923 65.801 33.957 1.00 17.00 6 ? TOM? 943 CB PRO 114 4,548 66,292 35,342 1.00 19.22 6 ATOM 944 CG PRO 114 4,169 67,733 35,176 1.00 21.34 6 ATOM 945 C PRO 114 4,451 64,405 33,636 1.00 16.83 6 ATOM 946 OR PRO 114 3,237 64,125 33,512 1.00 16.01 8 ÁTOMO 947 N LEO 115 5.414 63.483 33.560 1.00 15.95 7 ATOM 948 C? LEO 115 5,081 62,104 33,215 1.00 17.10 6 ATOM 949 CB LEU 115 5,769 61,879 31,856 1.00 16.83 6 ATOMO 950 CG LEU 115 5.790 60.498 31.231 1.00 21.64 6 ATOMO 951 CDl LEU 115 4,399 60,132 30,733 1.00 19.24 6 ATCMO 952 CD2 LEU 115 6.777 60.486 30.043 1.00 19.80 6 ATOMO 953 C LEU 115 5,606 61,116 34,226 1.00 21.13 6 ATOM 954 OR LEU 115 6,788 61,200 34,569 1.00 18.84 8 ATCMO 955 N VAL 116 4,839 60,105 34,630 1.00 20.51 7 ATOM 956 C? VAL 116 5,314 59,073 35,545 1.00 20.40 6 ÁTOMO 957 CB VAL 116 4,787 59,277 36,971 1.00 18.72 6 ATOMO 958 CG1 VAL 116 5.313 60.547 37.644 1.00 22.67 6 ATOM 9S9 CG2 VAL 116 3,257 59,328 36,998 1.00 22.12 6 ATOMO 960 C VAL 116 4,807 57,703 35,073 1.00 19.73 6 ATOM 961 OR VAL 116 3.910 57.682 34.223 1.00 20.76 8 ATOM 962 N LYS 117 5,268 56,615 35,693 1.00 17.34 7 ATCMO 963 C? LYS 117 4,760 55,290 35,381 1.00 20.33 6 ATOM 964 CB LYS 117 3,271 55,182 35,802 1.00 21.74 6 ATOMO 965 CG LYS 117 3.115 54.927 37.301 1.00 24.43 6 ? TOMP 966 CD LYS 117 1,793 55,445 37,832 1.00 32.69 6 ATOM 967 CE LYS 117 0.798 54.314 38.056 1.00 40.27 6 ATOM 968 NZ LYS 117 -0.568 54.865 38.266 1.00 44.06 7" ATOM 969 C LYS 117 4,956 54,936 33,914 1.00 18.58 6 ATOMO 970 OR LYS 117 4,026 54,535 33,234 1.00 24.35 8 ATOM 971 N VAL 118 6,181 55,063 33,417 1.00 20.45 7 ÁTONO 972 C? VAL 118 6,542 54,798 32,039 1.00 19.15 6 ATCMO 973 CB VAL 118 7,756 55,643 31.607 1.00 12.17 6 ? TOMO 974 CG1 VAL 118 8.199 55.396 30.176 1.00 18.94 6 TOMO 975 CG2 VAL 118 7,408 57,129 31,794 1.00 16.75 6 ATOM 976 C VAL 118 6,868 53,330 31,797 1.00 18.58 6 ATOM 977 OR VAL 118 7,606 52,717 32,564 1.00 17.16 8 ATOM 978 N THR 119 6,307 52,803 30,711 1.00 15.94 7 ATOMO 979 C? THR 119 6,527 51,425 30,335 1.00 16.50 6 ATOM 980 CB THR. 119 5,291 50,523 30,367 1.00 19.59 6 ATOM 981 OG1 THR 119 4,770 50,410 31,693 1.00 23.11 8 ATOM 982 CG2 THR 119 5,695 49,123 29,872 1.00 24.83 6 ATOM 983 C THR 119 7,053 51,424 28,881 1.00 17.81 6 ATOM 984 OR THR 119 6.436 52,130 28.09S 1.00 14.36 8 ATOM 985 N PHE 120 - 8,121 50,679 28,643 1.00 14.86 7 ATOM 986 C? PHE 120 8,616 50,608 27,259 1.00 13.85 6 ATCMO 987 CB PHE 120 10,122 50,797 27,240 1.00 15.51 6 ATOM 988 CG PHE 120 10,553 52,230 27,463 1.00 13.38 6 ATOMO 989 CDl PHE 120 10.748 52.701 28.750 1.00 20.15 6 ATTACK 990 CD2 PHE 120 10,792 53,051 26,381 1.00 20.08 6 ATCMO 991 CEI PHE 120 11,186 54,002 28,953 1.00 17.14 6 ATOM 992 CE2 PHE 120 11,230 54,367 26,578 1.00 22.12 6 ATOMS 993 CZ PHE 120 11,423 54,818 27,867 1.00 17.10 6 ATOMO 994 C 120 8,279 49,216 26,721 1.00 17.13 6 ATOM 995 or PHB 120 8,640 48,221 27.407 1.00 14.78 8 ATOMO 996 N PHB 121 7.626 49.166 25.575 1.00 16.20 7 ATOM 997 C? PHB 121 7.277 47.868 25.011 1.00 18.83 6 ATOMS 998 CB PHE 121 5.799 47.821 24.616 1.00 13.50 6 ATOMS 999 CG PHE 121 4,768 48,052 25,656 1.00 18.60 6 ATOMS 1000 CDl PHE 121 4,368 49,339 26,017 1.00 17.37 6 ATOMS 1001 CD2 PHE 121 4,208 46,961 26,334 1.00 18.44 6 ÁTOMO 1002 CEI PHE 121 3,409 49,524 27,006 1.00 19.78 6? VOLUME 1003 CE2 PHB 121 3,260 47,173 27,313 1.00 22.69 6 ATOMS 1004 CZ PHB 121 2,843 48,445 27,660 1.00 15.74 6 ATOMS 1005 C PHE 121 8,074 47,539 23,749 1.00 18.44 6 ATOMS 1006 OR PHE 121 8.351 48.454 22.987 1.00 15.63 8 ATOMO 1007 N GLN 122 B.333 46.253 23.480 1.00 19.35 7 ATOMO 1008 C? GLN 122 8,959 16,32 6 ATOMO 1010 CG GLN 122 10,784 44,583 21,065 1,00 18,39 6 ATOMO 1011 CD GLN 122 12,050 43,764 21,247 1.00 21.98 6 ATCMO 1012 OBI GLN 122 12,423 43,461 22,374 1.00 19.18 8 ATOMS 1013 KB2 GLN 122 12.700 43.396 20.153 1.00 24.51 7 ATOMS 1014 C GLN 122 8.067 44.774 21.609 1.00 15.34 6 ATOM 1015 OR GLN 122 7,789 43,832 22,321 1.00 17.30 8 ATOM 1016 N ASN 123 7,474 44,931 20,439 1.00 18.98 7 ATOM 1017 C? ASN 123 6.542 43.975 19.859 1.00 22.95 6 ATOMO 1018 CB? SN 123 7.241 42.708 19.332 1.00 19.57 6 ATOMO 1019 CG ASN 123 8.228 43.130 18.244 1.00 26.31 6 ATOMO 1020 OD1? SN 123 8.013 44.053 17.441 1.00 19.76 8 ATOM 1021 ND2 ASN 123 9.375 42.463 18.213 1.00 28.57 7? VOLUME 1022 C ASN 123 5,397 43,643 20,803 1.00 21.02 6 ATOMO 1023 OR ASN 123 4,911 42,525 20,918 1.00 19.19 8 ATOM 1024 N GLY 124 4,951 44,632 21,579 19.77 7 ATCMO 1025 C? GLY 124 3,852 44,516 22,495 16.41 6 ATOM 1026 c GLY 124 4,159 43,885 23,844 14.85 6 ATOMO 1027 or GLY 124 3,210 43,658 24,611 15.05 8 ATOM 1028 N LYS 125 5,405 43,610 24,133 13.81 7 ATOM 1029 C? LYS 125 5.830 6 ATOMO 1031 CG LYS 125 6.934 41.032 26.559 1.00 16.28 6 ATOM 1032 CD LYS 125 7.406 39.587 26.281 1.00 22.51 6 ATOM 1033 CE LYS 125 7.925 38.989 27.587 1.00 30.62 6 ATOM 1034 NZ LYS 125 8,822 37,818 27,330 1.00 36.72 7 ATOM 1035 C LYS 125 6,725 44,014 26,121 18.20 6 ATOM 1036 or LYS 125 7,648 44,525 25,509 19.98 8? VOLUME 1037 M SER 126 6,385 44,216 27,393 17.62 7? VOLUME 1038 C? SER 126 7.107 45.241 28.155 20.03 6? TOMO 1039 CB SBR 126 6,355 45,459 29,485 23.22 6 '? TCMO 1040 OG SER 126 7,317 45,773 30,466 38.12 8 ATOM 1041 C SER 126 8,541 44,823 28,389 17.85 6 ATOM 1042 OR SER 126 8,842 43,657 28,647 21.31 8 ATOMO 1043 N GLN 127 9,490 45,718 28,254 17.16 7 ATOMO 1044 C? GLN 127 10.898 45.515 28.408 1.00 17.45 6 ATOMO 1045 CB GLN 127 11.723 46.073 27.225 1.00 20.82 6? TCMO 1046 CG GLN 127 11.352 45.419 25.897 00 18.56 6 ATOMO 1047 CD GLN 127 11.497 43.912 25.927 00 24.44 6 ATOMO 1048 OE1 GLN 127 12.606 43.416 26.116 00 31.62 8? TQMO 1049 NE2 GLN 127 10,436 43,130 25,773 00 19.15 7 ATOM 1050 C GLN 127 11,386 46,251 29,661 00 20.94 6 ATOM 1051 OR GLN. 127 12,439 45,929 30,179 1.00 18.25 8 ATOM 1052 N LYS 128 10,643 47,285 30,032 1.00 21.18 7 ATOM 1053 C? LYS 128 11,070 48,048 31,216 1.00 23.10 6 ÁTOMO 1054 CB LYS 128 12,177 49,034 30,842 1.00 21.83 6? VOLUME 1055 CG LYS 128 12,683 49,882 32,013 1.00 24.67 6 ATOM 1056 CD LYS 128 13,939 50,905 31,589 1.00 18.23 6 ATOM 1057 CE LYS 128 14,048 51,746 32,870 1.00 27.02 6 ATOM 1058 NZ LYS 128 15,081 52,794 32,574 1.00 24.24 7 ATOMO 1059 C LYS 128 9.884 48.844 31.754 1.00 24.93 6 ATOM 1060 OR LYS 128 9.193 49.481 30.960 1.00 20.79 8? VOLUME 1061 N PHB 129 9.678 48.822 33.062 1.00 21.39 7 ATOM 1062 C? PHB 129 8.708 49.695 33.695 1.00 24.45 6 ATOMO 1063 CB PHB 129 7.610 48.926 34.458 1.00 25.50 6 ATOM 1064 CG PHB 129 6.772 49.837 35.327 1.0025.SI 6 ATOMO 1065 CDl PHE 129 5.799 50,630 34.762 1.00 19.40 6 ATOMO 1066 CD2 PHE 129 7.002 49.928 36.700 1.0029.98 6 ATOM 1067 CEI PHE 129 5,026 51,491 35,535 1.0025.00 6 ATOM 1068 CE2 PHE 129 6,249 50,788 37,491 1,0028.84 6 ATOMO 1069 CZ PHE 129 5,262 51,574 36,902 1.0032.29 6 ATONO 1070 C PHE 129 9,480 50,577 34,687 1,0027.88 6 ATOMO 1071 OR PHE 129 10,388 50,049 35,359 1.0030.99 8 ATOM 1072 N SER 130 9.134 51.846 34.853 1.0026.67 7 ATOM 1073 C? SER 130 9.779 52.641 35.917 1.0024.98 6 ATOM 1074 CB SER 130 11,025 53,344 35,422 1.0021.29 6 ATOM 1075 OG SER 130 11,271 54,465 36,250 1,0025.72 8 ATOM 1076 C SER 130 8.777 53.667 36.434 1.0024.39 6 ATOM 1077 OR SER 130 8.123 S4.28S 35,576 1.00 24.91 8 ATOM 1078 N HXS 131 8,668 S3.889 37,730 1.0022.12 7 ATOMO 1079 C? HXS 131 7.710 54.901 38.204 1.0023.65 6 ATOMO 1080 CB HXS 131 7,604 54,918 39,737 1,0028.35 6 ATOM 1081 CG HXS 131 6,859 53,706 40,197 1,0023.57 6 ATOM 1082 CD2 HXS 131 7,307 52,509 40,642 1.00 18.55 6 ? TOMO 1083 ND1 HXS 131 5.478 53.666 40.170 1.0026.69 7 ? TOMO 1084 CEI HXS 131 5,095 52,478 40,617 1.00 16.65 6 ATOM 1085 KE2 HXS 131 6,173 51,764 40,890 1,0023.94 7 ATOM 1086 C HXS 131 8,108 56,314 37,814 1,0023.89 6 ATOM 1087 OR HXS 131 7,261 57,205 37,712 1,0026.21 8 ATOM 1088 N LEO 132 9,426 56,548 37,689 1.0021.77 7 ATOMO 1089 C? LEO 132 9,886 57,900 37,480 1,0020.70 6 ATOM 1090 CB LEO 132 10,630 58,361 38,760 1.0030.28 6 ATOMO 1091 CG LEO 132 10,022 58,084 40,148 1.0026.56 6 ATOMO 1092 CDl LEU 132 11,073 58,316 41,229 1.0029.07 6 ATOMO 1093 CD2 LEO 132 8,814 58,980 40,435 1.0024.99 6 ATOM 1094 C LEU 132 10,762 58,144 36,279 1.0022.94 6 ATOM 1095 OR LEU 132 10,794 S9,326 35,900 1.0022.01 8 ATOM 1096 N? SP 133 11,541 57,181 35,778 1,0021.75 7 ATOM 1097 C? ? SP 133 12,469 57,401 34,679 1,0024.62 6 ATOM 1098 CB? SP 133 13,560 56,327 34,854 1.00 29.71 6 ? TOMO 1099 CG? SP 133 14,734 56,321 33,915 1.0032.90 6 ATOM 1100 OD1? SP 133 14,837 57,254 33,083 1.0032.91 8 ATOM 1101 OD2? SP 133 15,597 55,394 34,000 1.0036.01 8 ATOM 1102 C ASP 133 11,843 57,230 33,296 1.00 25.88 6 ATOM 1103 OR ASP 133 11,419 56,136 32,940 1.0024.36 8 ATOMO 1104 N PRO 134 11.857 58.261 32.460 1.0024.65 7 ? TOMO 1105 CD PRO 134 12,347 59,620 32,778 1,0022.97 6 ATCMO 1106 C? PRO 134 11,293 58,185 31,112 1.0024.00 6 ATOM 1107 CB PRO 134 10,889 59,662 30,870 1.0024.02 6 ATOMO 1108 CG PRO 134 11.987 60.433 31.544 1.0023.04 6 ATOM 1109 C PRO 134 12,256 57,764 30,017 1.0022.11 6 ATOM 1110 OR PRO 134 11,970 57,930 28,824 1.00 19.00 8 ÁTOMO llll N THR 135 13,420 57,212 30,350 1.00 21.43 7 ATCMO 1112 C? THR 135 14,424 56,805 29.401 1.00 24.98 6 ATOM 1113 CB THR 135 15,748 57,584 29,593 1.0027.24 6 ATOM 1114 OG1 THR 135 16,331 57,065 30,796 1.0024.99 8 ATOM 1115 CG2 THR 135 15,461 59,069 29.706 1.0026.07 6 ATOM 1116 C THR 135 14,747 55,312 29,451 1.0023.58 6 ATOMO 1117 OR THR 135 14,445 54,629 30,423 1.0026.14 8 ATOMO 1118 N PHE 136 15,267 54,790 28,347 1,0020.63 7 ATOMO 1119 C? PHB 136 15,549 53,391 28,150 1.0020.10 6 ATOM 1120 CB PHE 136 14,343 52,706 27,523 1.0025.47 6 ATOM 1121 CG PHB 136 14,408 51,250 27,170 1,0025.61 6 ATOMO 1122 CDl PHE. 136 14,528 50,270 28.121 1.0027.00 6 ATOMO 1123 CD2 PHE 136 14,332 50,847 25,841 1,0027.45 6 ATOMO 1124 CEI PHE 136 14,571 48,929 27.787 1.0032.62 6 ATOMO 1125 CE2 PHE 136 14,385 49,516 25,490 1.0028.46 6 ATOMO 1126 CZ PHE 136 14,493 48,549 26,463 1,0030.41 6 ATOMO 1127 C PHE 136 16,796 53,197 27,297 1.0024.00 6 ATOMO 1128 OR PHE 136 16.952 53.801 26.230 1.0024.50 8 ÁTOMO 1129 N SBR 137 17,665 52,294 27,730 1,0021.97 7 ATCMO 1130 C? SER 137 18,914 52,010 27,050 1.0026.52 6 ? TOMO 1131 CB SER 137 20,120 52,418 27.908 1.0030.03 6 ? VOLUME 1132 OG SER 137 20,769 53,559 27,412 1.00 44.19 8 ATOMO 1133 C SER 137 19.128 50.507 26.840 1.0027.38 6 ATOM 1134 OR SER 137 18,911 49,694 27,721 1,0027.33 8? VOLUME 1135 N XLE 138 19,654 50,164 25,686 1,0025.86 7 ATOMO 1136 CA XLE 138 20,004 48,806 25,343 1.0029.46 6 ATOM 1137 CB XLB 138 19,189 48,176 24,193 1.00 33.38 6 ATOM 1138 CG2 XLE 138 19,669 46,748 23,941 1,0027.23 6 ATOM 1139 CGl ILE 138 17,679 48,197 24,472 1.00 30.55 6 ATCMO 1140 CDl XLE 138 16,817 48,155 23,223 1.00 29.53 6 ? TOMO 1141 C XLE 138 21,477 48,875 24,926 1,0029.88 6 ? VOLUME 1142 OR XLB 138 21,768 49,377 23,849 1.00 27.99 8 ATOM 1143 N PRO 139 22,345 48,476 25,837 1.00 31.71 7 ATOMO 1144 CD PRO 139 22,018 47,938 27,184 1.00 32.73 6 ATOM 1145 CA PRO 139 23,776 48,398 25,598 1.0033.85 6 ATOM 1146 CB PRO 139 24,380 48,213 26,983 1.0036.13 6 ATOMO 1147 CG PRO 139 23,248 48,384 27,950 1.0034.99 6 ATOM 1148 C PRO 139 24,030 47,160 24,741 1.00 35.63 6 ATOM 1149 OR PRO 139 23,324 46,160 24,888 1.0038.22 8 ATCMO 1150 N GLN 140 24,974 47,208 23,827 1.00 36.97 7 ATOM 1151 CA GLN 140 25,288 46,110 22,935 1.0035.17 6 ATOM 1152 CB GLN 140 26,223 45,124 23,631 1.00 43.87 6 ATOM 1153 CG GLN 140 27,518 45,802 24,088 1.00 49.77 6 ÁTOMO 1154 CD GLN 140 27.883 45.282 25.468 1.00 56.21 6 ATOM 1155 OBI GLN 140 28,145 44,084 25,593 1.00 57.44 8 ATCMO 1156 NE2 GLN 140 27.883 46.161 26.468 1.0057.25 7 ATCMO 1157 C GLN 140 24,060 45,418 22,362 1.0034.61 6 ATOMO 1158 OR GLN 140 23,677 44,284 22,693 1.00 33.34 8 ATOM 1159 N ALA 141 23,473 46,111 21,391 1.00 29.80 7 ATOM 1160 C? ALA 141 22,287 45,634 20,694 1.00 30.02 6 ? TOMO 1161 CB ALA 141 21,778 46,745 19,774 1,0027.89 6 ATCMO 1162 C ALA 141 22,561 44,400 19,832 1.00 29.52 6 TCMO 1163 OR WING 141 23,650 44,270 19,263 1.00 29.60 8 ATOM 1164 N ASN 142 21,528 43,582 19,665 1.00 30.60 7 ATOM 1165 C? SN 142 21,642 42,435 18,738 1.00 31.55 6 ATOMO 1166 CB ASN 142 21,985 41,139 19,453 1.00 30.39 6 ATOM 1167 CG? SN 142 21,012 40,749 20,534 1.00 31.63 6 ATOMO 1168 ODl? SN 142 19,838 40,423 20,268 1,0027.57 8 ATCMO 1169 ND2? SN 142 21,479 40,739 21,781 1.00 33.23 7 ATOMO 1170 C? SN 142 20,357 42,321 17,936 1.00 32.33 6 ATOMO 1171 OR ASN 142 19,453 43,168 18,122 1.00 29.09 8 TCMO 1172 N HIS 143 20,223 41,257 17,134 1.00 29.40 7 ATOM 1173 C? HXS 143 19,075 41,086 16,266 1.00 28.82 6 ATOM 1174 CB HXS 143 19,262 39,895 15,272 1.00 24.51 6 ATOMO 1175 CG HXS 143 20,360 40,234 14,295 1.00 31.72 6 ATOM 1176 CD2 HXS 143 20,704 41,420 13,740 1.00 33.88 6 ATOM 1177 ND1 HXS 143 21,278 39,328 13,822 1.00 32.86 7 ATOM 1178 CEI HXS 143 22,117 39,927 13,008 1,0031.84 6 ÁTONO 1179 NE2 HXS 143 21,794 41,202 12,941 1.00 31.48 7 ATOMO 1180 C HXS 143 17.747 40.857 16.976 1.00 26.62 6 ATOM 1181 OR HXS 143 16,696 41,098 16,366 1.00 25.96 8 ATOMO 1182 N SER 144 17,812 40,412 18,221 1,0020.85 7 ATOM 1183 C? BE 144 16,557 40,128 18,941 1,0024.82 6 ATOMO 1184 CB SER 144 16,839 38,979 19,915 1.0030.28 6 ATOMO 1185 OG SER 144 17,739 39,389 20,930 1.00 39.11 8 ATOM 1186 C SER 144 15,976 41,423 19,474 1.0024.89 6 ATOM 1187 OR BE 144 14,775 41,518 19,755 1.00 25.22 8 ÁTOMO 1188 N HXS 145 16,746 42,522 19,463 1.00 20.33 7 ATOM 1189 C? HXS 145 16,306 43,861 19,811 1.00 19.38 6 ATOM 1190 CB HXS 145 17,474 44,762 20,302 1.00 19.40 6 ATGMO 1191 CG HXS 145 18,145 44,212 21,534 1.00 18.37 6 ATCMO 1192 CD2 HXS 14S 17,620 43,886 22,744 1.00 18.22 6 ATOM 1193 ND1 HXS. 145 19,493 43,965 21,627 1.00 23.55 7 TCMO 1194 CEI HXS 145 19,768 43,492 22,829 1.00 26.33 6 ATCMO 1195 NE2 HXS 145 18,643 43,412 23,525 1.0021.OS 7 ATCMO 1196 C HXS 145 15,589 44,553 18,657 1.00 22.05 6 ATOM 1197 OR HXS 145 15,013 45,636 18,848 1.00 21.86 8 ATOM 1198 N SER 146 - 15,569 43,997 17,440 1.0020.66 7 ATOM 1199 C? BE 146 14,833 44,649 16,363 1.00 19.96 6 ? TOMO 1200 CB SBR 146 15,075 44,009 14,986 1.00 20.48 6 ATCMO 1201 OG SER 146 16,442 44,154 14,613 1.00 25.61 8 ? TCMO 1202 C SER 146 13,339 44,596 16,656 1,0020.51 6 TCMO 1203 OR SER 146 12.915 43.614 17.287 1.00 22.06 8 ÁTOMO 1204 N GLY 147 12,556 45,578 16,197 1.00 16.70 7 ATOM 1205 C? GLY 147 11,123 45,383 16,411 1.00 20.49 6? VOLUME 1206 C GLY 147 10,385 46,714 16,555 1.00 22.63 6 TOMO 1207 OR GLY 147 10,982 47,762 16,332 1.00 16.09 8 ATOM 1208 N ASP 148 9.111 46.560 16.951 1.00 20.62 7 ATOM 1209 CA ASP 148 8,324 47,777 17,121 1.00 21.57 6 ATOMO 1210 CB? SP 148 6,882 47,579 16,674 1.00 28.99 6 ATOM 1211 CG ASP 148 6,819 47,144 15,219 1.00 41.07 6 ATOM 1212 OD1? SP 148 7,849 47,338 14,540 1.00 39.21 8 ATOM 1213 OD2 ASP 148 5,763 46,620 14,808 1.00 39.40 8 ? TOMO 1214 C? SP 148 8.315 48.214 18.590 1.00 20.72 6 ATCMO 1215 O? SP 148 7. B17 47,469 19,447 1.00 20.27 8 ATOM 1216 N TYR 149 8,822 49,440 18,798 1.00 16.97 7 ATOM .1217 C? TYR 149 8,811 49,966 20,164 1.00 18.60 6 ? TOMO 1218 CB TYR 149 10,193 50,587 20,472 1.00 16.94 6 ATOMO 1219 CG TYR 149 11,272 49,534 20,606 1.00 18.45 6 ATOM 1220 CDl TYR 149 11,901 48,928 19,528 1.00 19.27 6 ATCMO 1221 CEI TYR 149 12.877 47.948 19.737 1.00 20. IB 6 ATOM 1222 CD2 TYR 149 11,672 49,162 21,879 1.00 18.36 6 ATOM 1223 CE2 TYR 149 12,636 48,216 22,116 1.00 15.60 6 ATCMO 1224 CZ TYR 149 13,238 47,606 21,027 1.00 18.77 6 ATOM 1225 OH TYR 149 14,211 46,660 21,253 1.00 18.41 B ATOM 1226 C TYR 149 7,767 51,061 20,355 1.00 15.78 6 ? VOLUME 1227 OR TYR 149 7.539 51.859 19.450 1.00 15.86 8 TCMO 1228 N B S 150 7,196 51,126 21,559 1.00 15.01 7 ATOM 1229 C? BXS 150 6,247 52,171 21,925 1.00 12.99 6 ATOM 1230 CB HXS 150 4,849 51,980 21,372 1.00 11.96 6 ATOM 1231 CG HXS 150 3.942 51.032 22.117 1.00 17.71 6 ATOMO 1232 CD2 HXS 150 2 .944 S1.29S 23.004 1.00 16.09 6 ATCMO 1233 ND1 HIS 150 3,988 49,660 21,971 1.00 11.60 7 ATOMO 1234 CEI HXS 150 3,058 49,103 22,716 1.00 16.95 6 ATCMO 1235 NE2 HXS 150 2,407 50,057 23,370 1.00 19.22 7 ÁTOMO 1236 C HXS 150 6,263 52,270 23,462 1.00 13.37 6 ATOMO 1237 OR HXS 150 6,922 51,448 24.129 1.00 12.78 8 ATOMO 1238 N CYS 151 5,680 53,355 23,957 1.00 14.21 7 ATCMO 1239 C? CYS 151 5,670 53,559 25,414 1.00 15.38 6 ? TOMO 1240 c CYS 151 4,301 53,982 25,880 1.00 16.27 6 ? TOMO 1241 or CYS 151 3,422 54,404 25,132 1.00 15.15 8 ATCMO 1242 CB CYS 151 6,746 54,562 25,856 1.00 16.85 6 ATOM 1243 SG CYS 1S1 6,581 56,269 25.24B 1.00 14.82 16 ÁTOMO 1244 N THR 152 4. 080 53.805 27,186 1.00 17.41 7 ? TOMO 1245 C? THR 152 2,875 54,223 27,862 1.00 17.27 6 ATOM 1246 CB THR 152 1,899 53,131 2B .305 1.00 21.80 6 ? TOMO 1247 OG1 THR 152 2.527 52.212 29.205 1.00 17.53 B ATCMO 1248 CG2 THR 152 1,356 52,388 27,075 1.00 17.12 6 ATOM 1249 C THR 152 3,346 54,989 29,127 1.00 19.83 6 ATOM 1250 OR THR 1S2 4,471 54,724 29,600 1.00 16.21 8 ATCMO 1251 N GLY 1S3 2,496 55,913 29,534 1.00 17.84 7 ATOM 1252 C? GLY 1S3 2,815 56,706 30,731 1.00 20.33 6 ATCMO 1253 c GLY 153 1,647 57,605 31.108 1.00 18.60 6 ATOMO 1254 or GLY 153 0.779 57.915 30.293 1.00 19.87 8 ATOM 1255 N ASN 154 1,603 58,000 32,373 1.00 20.99 7 ATOMO 1256 C? ASN 154 0.560 58.815 32.959 1.00 20.36 6 ÁTOMO 1257 CB? SN 154 0.512 58.556 34.478 1.00 26.77 6 ATOM 1258 CG? SN 154 -0,800 57,928 34,897 1.00 40.91 6 ATOM 1259 OD1 ASN 154 -1,700 58,580 35,441 1.00 46.67 8 ATOM 1260 ND2? SN 154 -0.927 56,639 34,633 1.00 40.24 7 ATOMO 1261 C ASN 154 0.879 60.300 32.817 1.00 22.51 6 ATOM 1262 O? SN 154 1,973 60,685 33,272 1.00 22.15 8 ATOM 1263 N XLE 155 -0,018 61,067 32,202 1.00 19.40 7 TCMO 1264 C? XLE 155 0.198 62.514 32.139 1.00 22.27 6 ATOM 1265 CB ILE 155 0.210 63.116 30.731 1.00 26.29 6 ATOMO 1266 CG2 XLE 155 0.327 64.640 30.831 1.00 23.31 6 ATOM 1267 CG1 XLE 155 1,367 62,544 29,899 1.00 28.16 6 ATOMO 1268 CDl ILE 155 1,371 62,874 28,434 1.00 29.42 6 ATOMO 1269 C ILE 155. -0.974 63.089 32.941 1.00 27.67 6 ATOMO 1270 OR XLE 155 -2,112 62,726 32,639 1.00 24.10 8 ATOMO 1271 N GLY 156 -0.732 63.838 34.020 1.00 33.10 7 ATOMO 1272 C? GLY 156 -1.942 64.285 34.780 1.00 37.62 6 ? TOMO 1273 c GLY 156 -2,447 63,053 35,527 1.00 38.80 6 ? TOMO 1274 or GLY 156 -1,659 62,512 36,299 1.00 43.91 8 ATOM 1275 N TYR 157 -3,655 62,573 35,307 1.00 41.47 7 ATOM 1276 C? TYR 157 -4,182 61,357 35,894 1.00 43.65 6 ATCMO 1277 CB TYR 157 -5,381 61,642 36,832 1.00 51.51 6 ATOMO 1278 CG TYR 157 -5,020 62,592 37,961 1.00 57.42 6 ATCMO 1279 CDl TYR 157 -5,523 63,885 37,982 1.00 60.45 6 ATOMO 1280 CEI TYR 157 -5.179 64.765 38.992 1.00 62.57 6 ATCMO 1281 CD2 TYR 157 -4,140 62,204 38,963 1.00 61.00 6 ATOMO 1282 CE2 TYR 157 -3.788 63.079 39.982 1.00 63.03 6 ATCMO 1283 CZ TYR 157 -4,313 64,353 39,986 1.00 63.56 6 ATOMO 1284 OH -TYR 157 -3.979 65.237 40.984 1.00 66.68 B ? TOMO 1285 C TYR 157 -4,676 60,351 34,849 1.00 41.96 6 ATOM 1286 OR TYR 157 -5,445 59,420 35,115 1.00 41.33 8 ATOMO 1287 N THR 158 -4,298 60,547 33,594 1.00 36.77 7 ATOM 1288 C? THR 158 -4,722 59,693 32,496 1.00 30.71 6 ATOMO 1289 CB THR 158 -5,260 60,597 31,364 1.00 30.82 6 ATOM 1290 OG1 THR 158 -6,237 61,471 31,942 1.00 30.47 B ATOM 1291 CG2 TBR 158 -5,851 59,819 30,207 1.00 29.21 6 ATCMO 1292 C THR 158 -3,532 58,944 31,912 1.00 25.66 6 ATOMO 1293 OR THR 158 -2,521 59,609 31,642 1.00 24.50 B ? TOMO 1294 N LEO 159 -3,689 57,664 31,609 1.00 21.00 7 ATOM 1295 C? LEO 159 -2,617 56,924 30,960 1.00 21.01 6 ATOMO 1296 CB LEO 159 -2,737 55,435 31,284 1.00 26.53 6 ATOMO 1297 CG LEO 159 -1.601 54.487 30.958 1.00 27.15 6 ? TOMO 1298 CDL LEO 159 -0.323 54.817 31.713 1.00 25.15 6 ATOM 1299 CD2 LEO 159 -1,979 53,036 31,316 1.00 28.75 6 ATOMO 1300 C LEO 159 -2,654 57,179 29,461 1.00 22.04 6 ATOMO 1301 OR LEU 159 -3,711 57,248 28,844 1.00 22.64 8 ATOMO 1302 N PHE 160 -1.4B4 57,396 28,855 1.00 20.79 7 ATOM 1303 C? PHE 160 -1,430 57,576 27.409 1.00 19.10 6 ATCMO 1304 CB PHE 160 -0.821 58.946 27.060 1.00 20.91 6 ATOMO 1305 CG PHE 160 -1,848 60,034 27,216 1.00 19.50 6 ATCMO 1306 CDl PHE 160 -1.971 60.676 28.442 1.00 24.86 6 ATOMO 1307 CD2 PHE 160 -2,645 60,409 26,156 1.00 21.03 6 TCMO 1308 CEI PHE 160 -2,903 61,709 28,588 1.00 29.44 6 ATOMO 1309 CE2 PHE 160 -3.582 61.421 26.296 1.00 19.89 6 ÁTOMO 1310 CZ PHE 160 -3.704 62,074 27,529 1.00 25.34 6 ATOMO 1311 C PHE 160 -0.521 56.513 26.794 1.00 17.36 6 ATOMS 1312 OR PHE 160 0.346 55.982 27.504 1.00 18.36 8 ATOM 1313 N SER 161 -0.753 S6.240 25,521 1.00 17.60 7 ATOM 1314 C? SER 161 0.087 55.302 24.785 1.00 14.63 6 ATOM 1315 CB SER 161 -0.744 54,150 24,188 1.00 20.14 6 ÁTOMO 1316 OG SER 161 0.115 53.054 23.901 1.00 21.55 8 ATOM 1317 C SER 161 0.662 56,037 23,561 1.00 18.96 6 ATOM 1318 OR SER 161 -0. 101 56,753 22,894 1.00 19.79 8 ATOM 1319 N SER 162 1,921 55,796 23,232 1.00 16.19 7 ATOM 1320 C? SER 162 2.518 56.404 22.049 1.00 16.74 6 ATOM 1321 CB SER 162 4,029 56,678 22,233 1.00 16.78 6 ÁTOMO 1322 OG SER 162 4,801 55,530 21,900 1.00 21.00 8 ATOM 1323 C SER 162 2,322 55,485 20,845 1.00 18.24 6 ' ATOMO 1324 OR SER 162 1,949 54,305 20,987 1.00 16.85 8 ATOM 1325 N LYS 163 2,535 56,027 19,652 1.00 17.96 7 ATOM 1326 C? LYS 163 2,484 55,203 18,445 1.00 17.36 6 ATOM 1327 CB LYS 163 2,369 55,957 17,133 1.00 20.94 6 ATOMO 1328 CG LYS 163 1,228 56,885 16,902 1.00 25.34 6 ATOMO 1329 CD LYS 163 -0.128 56.271 16.685 1.00 29.02 6 ATOMUS 1330 CE LYS 163 -0.954 57,131 15,721 1.00 42.35 6 ATOMO 1331 NZ LYS 163 -0,495 58,558 15,692 1.00 38.14 7 ATOMO 1332 C LYS 163 3,821 54,466 18,391 1.00 17.27 6 ATOMO 1333 OR LYS 163 4,817 54,906 18,978 1.00 16.54 8 ATCMO 1334 N PRO 164 3.840 53.348 17.696 1.00 18 .39 7 ATOM 1335 CD PRO. 164 2,702 52,743 16,952 1.00 20.79 6 ATOMO 1336 C? PRO 164 5,060 52,572 17,556 1.00 19.84 6 ATOM 1337 CB PRO 164 4,545 51,177 17,142 1.00 17.33 6 ATOM 1338 CG PRO 164 3,254 51,416 16,475 1.00 21.76 6 ? TCMO 1339 C PRO 164 6,032 53,169 16,528 1.00 19.62 6 ATOM 1340 OR PRO 164 • 5,723 53,942 15,619 1.00 19.46 8 ATOM 1341 N VAL 165 7,295 52,833 16,674 1.00 17.22 7 ? TOMO 1342 C? VAL 165 8,427 53,162 15,841 1.00 20.36 6 ATOM 1343 CB VAL 165 9,405 54,190 16,450 1.00 20.84 6 ATOM 1344 CG1 VAL 165 10,418 54,643 15,404 1.00 20.46 6 ATOM 1345 CG2 VAL 165 8.699 55.475 16.899 1.00 23.72 6 ATOM 1346 C VAL 165 9. 173 51,833 15,590 1.00 22. OS 6 ATOMO 1347 OR VAL 165 9.532 51.094 16.499 1.00 22.10 8 ATOMO 1348 N THR 166 9,444 51,549 14,320 1.00 24.93 7 ATOM 1349 CA THR 166 10,111 50,317 13,939 1.00 26.07 6 ATOMO 1350 CB THR 166 9,631 49,784 12,579 1.00 31.66 6 ATOMO 1351 OS1 THR 166 9.737 50.811 11.569 1.00 38.39 8 ATOM 1352 CG2 THR 166 8,180 49.3S3 12,694 1.00 23.71 6 ATOM 1353 C THR 166 11,611 50,597 13,990 1.00 25.06 6 ATOM 1354 OR THR 166 11,985 51,536 13,244 1.00 21.88. 8 ATOM 1355 N ILE 167 12,362 49,878 14,714 1.00 21.40 7 ATCMO 1356 C? I LE 167 13,784 49,907 14,909 1.00 25.06 6 ATOM 1357 CB I LE 167 14,088 50,164 16,424 1.00 26.21 6 ATOM 1358 CG2 I LE 167 15,588 50,159 16,673 1.00 26.68 6 ATOMO 1359 CG1 ILE 167 13,415 51,472 16,825 1.00 26.56 6 ATOM 1360 CDl XLE 167 13,946 52,318 17,939 1.00 30.83 6 ATOMO 1361 C I LE 167 14,416 48,572 14.501 1.00 24.36 6 ATOMO 1362 OR ILE 167 14,013 47,482 14.920 1.00 23.36 8 ATOMO 1363 N THR 168 15,412 48,591 13,630 1.00 22.83 7 ATOMO 1364 C? THR 168 16,083 47,405 13,152 1.00 27.27 6 ATOM 1365 CB THR 168 15,945 47,266 11,622 1.00 31.88 6 ATOMO 1366 OG1 THR 168 14,565 47,371 11,277 1.00 32.11 8 ATOM 1367 CG2 THR 168 16,462 45,894 11,179 1.00 34.54 6 ? TOMO 1368 C THR 168 17,575 47,414 13,950 1.00 28.53 6 ATOMO 1369 OR THR 168 18,190 48,483 13.508 1.00 32.64 8 ATOMO 1370 N VAL 169 18,090 46,260 13,863 1.00 23.55 7 ATOMO 1371 C? VAL 169 19,472 46,011 14,163 1.00 27.27 6 ATOMO 1372 CB VAL 169 19,728 45,359 15,523 1.00 28.51 6 ATOMO 1373 CG1 VAL 169 21,227 45,133 15,757 1.00 26.42 6 ATOM 1374 CG2 VAL 169 19,189 46,160 16,696 1.00 27.97 6 ÁTOMO 1375 C VAL 169 20,011 45,022 13,098 1.00 32.65 6 ATOM 1376 OR VAL 169 19,332 44,056 12,710 1.00 33.21 8 ÁTOMO 1377 N GLN 170 21,245 45,196 12,689 0.01 33.85 7 ATOMO 1378 C? GLN 170 21,966 44,390 11,737 0.01 35.75 6 ATOM 1379 CB GLN 170 23,335 44,027 12,362 0.01 36.48 6 ÁTOMO 1380 CG GLN 170 24,465 44,012 11,347 0.01 37.54 6 ATON 1381 CD GLN 170 25,478 45,110 11,599 0.01 37.91 6 ATOMO 1382 OBI GLN 170 25,142 46,186 12,096 0.01 38.17 8 ATOMO 1383 NE2 GLN 170 26,735 44,846 11,257 0.01 38.21 7 ÁTOMO 1384 C GLN 170 21,355 43,088 11,241 0.01 36.70 6 ATOMO 1385 OR GLN 170 21,049 42,167 11,995 0.01 36.81 8 ATOMUS 1386 N VAL 171 21,273 42,959 9,919 0.01 37.51 7 ATOMO 1387 C? VAL 171 20,781 41,772 9,240 0.01 38.20 6 ATCMO 1388 CB VAL 171 19,483 41,208 9,842 0.01 38.61 6 ATOMO 1389 CG1 VAL 171 18,334 42,199 9,681 0.01 38.88 6 ATOM 1390 CG2 VAL 171 19,115 39,881 9,180 0.01 38.83 6 ATOMO 1391 C VAL 171 20,587 42,048 7,750 0.01 38.42 6 ATOM 1392 OR VAL 171 21,420 41,573 6,949 0.01 38.53 8 ÁTOMO 1393 owo WAT 201 13,958 68,106 19,930 1.00 18.36 8 ATCMO 1394 ovo WAT 202 13,653 41,241 23,320 1.00 24.59 8 ' ATOMO 1395 owo n? 203 5,895 57,410 18,965 1.00 14.14 8 ATOM 1396 OWO HAT 204 9,519 72,688 30,514 1.00 42.11 8 ATOM 1397 OWO WAT 205 8,700 64,454 28,355 1.00 21.65 8 ATOMO 1398 swo WAT 206 25,548 65,664 7,898 1.00 24.88 8 ATOM 1399 OWO WAT 207 2,902 52,471 31,897 1.00 19.13 8 ATOM 1400 OWO WAT. 208 14.303 45.256 23.676 1.00 24.28 8 ATOM 1401 OWO WAT 209 10,371 62,552 29,076 1.00 27.73 8 ATOM 1402 OWO WAT 210 12,433 66,629 21,505 1.00 14.04 8 ATOMO 1403 OWO WAT 211 5.417 47.499 21.002 1.00 16.89 8 ATOM 1404 OWO WAT 212 29,599 82,797 11,595 1.00 34.62 ß ATOMO 1405 OWO WAT 213 17,813 70,187 2,648 1.00 16.34 8 ATOM 1406 OWO WAT. 214 6,656 58,315 16,413 1.00 24.31 8 ATOMO 1407 OWO WAT 215 21,191 80,146 5,335 1.00 30.05 B TCMO 1408 OWO WAT 216 15,621 66,766 18,319 1.00 18.82 8 ATOM 1409 OWO WAT 217 6,528 56,410 14,460 1.00 26.68 8 ATOMO 1410 OWO WAT 218 6.213 69.723 22.792 1.00 19.89 8 ATOMO 1411 owo WAT 219 • 12.935 67.874 24.109 1.00 29.95 ß ATOMO 1412 owo WAT 220 -2,277 62,236 20,953 1.00 28.34 8 ATOMO 1413 owo WAT 221 20,151 71,344 0.183 1.00 21.62 8 ÁTOMO 1414 owo WAT 222 27.773 6S.203 6.295 1.00 20.74 8 ? TOMO 1415 owo WAT 223 -0.481 58.864 19.811 1.00 24.67 8 ? TOMO 1416 swo WAT 224 17,815 67,914 1,120 1.00 26.99 8 ÁTOMO 1417 owo WAT 225 16,604 64,761 25,523 1.00 18.45 8 ATOMO 1418 owo WAT 226 -0.330 59,580 22,516 1.00 29.01 8 ATOM 1419 OWO WAT 227 13,324 40,955 17,129 1.00 40.98 8 ATOMO 1420 OWO WAT 228 9,214 41,380 22,450 1.00 41.91 8 ATOMO 1421 OWO WAT 229 20,146 82,270 13,850 1.00 50.03 8 ATOM 1422 OWO WAT 230 21,707 80,353 12,325 1.00 18.46 8 ATOM 1423 OWO WAT 231 15,403 67,167 25,599 1.00 21.44 8 ATOM 1424 OWO WAT 232 12,703 63,258 30,174 1.00 37.28 8 ATOM 1425 OWO WAT 233 12,479 61,400 39,250 1.00 23.78 8 ATOMO 1426 OWO WAT 234 13,921 59,460 9,106 1.00 40.49 8 ÁTOMO 1427 OWO WAT 235 7,230 72,381 24,432 1.00 41.81 8 ÁTOMO 1428 OWO WAT 236 2,989 58,681 19,344 1.00 17.29 8 ATOM 1429 swo WAT 237 12,865 75,036 10,180 1.00 47.19 8 ATOM 1430 swo WAT 238 2,754 67,991 13,259 1.00 35.75 8 ÁTOMO 1431 swo WAT 239 17,416 57,608 26,641 1.00 32.09 8 ATOM 1432 OWO WAT 240 31,068 75,579 10,888 1.00 20.85 8 ATOMO 1433 CWO WAT 241 17,725 71,985 21,261 1.00 25.43 8 ATOM 1434 OWO WAT 242 32,760 65,251 6,079 1.00 38.04 8 ATOM 1435 OWO WAT 243 14,079 72,373 25,218 1.00 20.23 8 ATOMO 1436 OWO WAT 244 16,644 77,936 -2,315 1.00 34.00 8 ATOM 1437 OWO WAT 245 1,790 62,643 35,518 1.00 30.63 8 ATOMO 1438 swo WAT 246 10,026 76,840 13,639 1.00 31.10 8 ATOMO 1439 swo WAT 247 11,096 40,538 24,599 1.00 33.25 8 ATOMO 1440 OWO WAT 248 19,457 73,016 -2,970 1.00 36.88 8 ATOM 1441 swo WAT 249 18,578 60,108 26,756 1.00 30.86 8 ATOM 1442 OWO WAT 250 11,119 78,675 16,190 1.00 37.83 8 ATOMO 1443 OWO WAT 251 2,583 76,687 28,032 1.00 73.18 8 ATOM 1444 OWO WAT 252 0.243 75,153 22.803 1.00 34.15 8 ATOM 1445 OWO WAT 253 33,328 82,165 10,255 1.00 23.17 8 ATOM 1446 OWO WAT 254 22,212 87,081 5,080 1.00 51.41 8 ATOMO 1447 swo WAT 255 21,393 83,921 11,680 1.00 31.47 8 ATOM 1448 swo WAT 256 37,174 72,382 4,349 1.00 36.66 8 ATOM 1449 OWO WAT 257 23,291 53,950 13,981 1.00 45.02 8 ÁTOMO 1450 OWO WAT 258 31,521 80,134 5,404 1.00 28.19 8 ATOMO 1451 swo WAT 259 11,904 78,169 8.209 1.00 61.39 8 ATOM 1452 OWO WAT 260 7,393 36,160 24,668 1.00 45.96 8 ATOM 1453 OWO WAT 261 12,356 70,954 23,727 1.00 23.77 8 ATOM 1454 OWO WAT 262 33,898 69,078 7,353 1.00 32.96 8 ATOMO 1455 OWO AT 263 28,502 52,764 25,478 1.00 58.40 8 ATOM 1456 OWO WAT 264 23,414 37,810 IB.427 1.00 35.16 8 ÁTOMO 1457 OWO WAT 265 4,792 74,631 16,778 1.00 44.49 8 ATOMO 1458 OWO AT 266 28.509 77.721 -1.620 1.00 50.51 8 ÁTOMO 1459 swo WAT 267 19,685 68,488 -0,712 1.00 45.74 8 ÁTOMO 1460 OWO WAT 268 10,899 74,487 23,620 1.00 43.61 8 ATOMO 1461 swo WAT 269 -1,033 73,720 20,128 1.00 34.52 8 ATOMO 1462 OWO WAT 270 15,215 67,397 0.077 1.00 27.35 8 ÁTOMO 1463 OWO WAT 271 8.748 79.989 16.508 1.00 51.59 8 ATOMO 1464 swo WAT 272 22,332 82,314 3,707 1.00 30.25 8 ÁTOMO 1465 OWO WAT 273 23,373 70,771 17,610 1.00 22.44 8 ATOMO 1466 swo WAT 274 11,965 67,872 26,359 1.00 26.92 8 ÁTOMO 1467 swo WAT 275 35,793 71,146 7,198 1.00 27.19 8 ATOMO 1468 swo WAT 276 10,333 72,530 25,867 1.00 46.78 8 ATOMO 1469 OWO WAT 277 17,230 69,185 24,852 1.00 26.22 8 ATOMO 1470 OWO WAT 278 17,594 51,432 30,830 1.00 32.58 8 ATCMO 1471 OWO WAT 279 8,561 67,703 32,884 1.00 37.04 8 TCMO 1472 OWO WAT 280 16,374 71,765 -4,195 1.00 31.45 8 ÁTOMO 1473 swo WAT 281 8,995 70,329 24,946 1.00 36.64 8 ATOMO 1474 swo WAT 282 19,019 47,051 28,676 1.00 48.06 8 ATOMO 1475 swo WAT 283 20,039 61,350 15,742 1.00 23.23 8 ATOMO 1476 OWO WAT 284 21,308 55,309 20,658 1.00 28.24 8 ÁTOMO 1477 swo WAT 285 7,405 70,019 5,261 1.00 41.47 8 ÁTOMO 1478 swo WAT- 286 23,729 66,066 0.632 1.00 30.27 8 TOMO 1479 OWO WAT 287 15,826 40,095 23,946 1.00 41.94 8 ATOM 1480 swo WAT 288 -0,119 50,371 24,812 O.SO 25.93 8 ATOMO 1481 OWO WAT 289 3,397 54,879 42,245 1.00 29.87 8 ATOM 1482 OWO WAT 290 10,215 53,151 32,270 1.00 43.33 8 ÁTOMO 1483 swo WAT 291 - 8.440 65.109 33.883 1.00 34.09 8 ? B COMBO 2 COM-HU-ZO Written by O veralßa 5.10.1 COHDTEAStXO Itíu • roo. j 20 from «ring 10:23:51 1998 CRISTI 79. 221 100. 866 28,172 90.00 90.00 1 90.00 ORXGX1 1.000000 0.000000 0.000000 0.00000 ORXGX2 0.000000 1.000000 0.000000 0.00000 ORXGX3 0.000000 0.000000 1.000000 0.00000 ESCAL? l 0.012623 0.000000 0.000000 0.00000 KSCAI? 2 0.000000 0.009914 0.000000 0.00000 ESC? U-3 0.000000 0.000000 0.035496 0.00000? TOMO 1 CB ALA 1 36,645 68 .826 -4.702 1.00 51.37 6 ATCMO 2 c ALA 1 36,199 68,294 -2,285 1.00 42.22 6 ÁTOMO 3 0 ALA 1 36.801 67,492 -1,569 1.00 42.70 8 ÁTOMO 4 N ALA 1 34,367 68,121 -3,997 1.00 45.74 7 ATOM. 5 C? ALA 1 35,829 67,992 -3,724 1.00 43.68 6 ? TOMO 6 N PRO 2 35,903 69,499 -1,817 1.00 40.54 7 ? TOMO 7 CD PRO 2 35,149 70,546 -2,533 1.00 38.91 6 TOMO 8 C? PRO 2 36,172 69,844 -0,425 1.00 38.61 6 ATOM 9 CB PRO 2 35,765 71,300 -0,322 1.00 39.86 6 ? TOMO 10 CG PRO 2 34,790 71,513 -1,426 1.00 41.36 6 ATOMO 11 C PRO 2 35,294 68,931 0.434 1.00 36.70 6 ATOMO 12 OR PRO 2 34,188 68,654 -0,042 1.00 32.46 8 ATOMUS 13 N PRO 3 35,789 68,496 1,579 1.00 33.82 7 ATOMS 14 CO PRO 3 37,120 68,857 2,110 1.00 35.16 6 ATOM 15 CA PRO 3 35,069 67,637 2,491 1.00 38.25 6 ATOM 16 CB PRO 3 35,872 67,639 3,799 1.00 37.39 6 ÁTOMO 17 CG PRO 3 37,180 68,267 3,486 1.00 37.41 6 ATOMO 18 C PRO 3 33,653 68,136 2,790 1.00 37.48 6 ATOMO 19 OR PRO 3 33,393 69,335 2,683 1.00 34.39 8 ATCMO 20 N LYS 4 32,763 67,212 3,173 1.00 37.04 7 ATOMO 21 C? LYS 4 31,399 67,678 3,424 1.00 34.97 6 ATCMO 22 CB LYS 4 30.31B 66.664 3.122 1.00 43.98 6 ATOMO 23 CG LYS 4 30,564 6,191 3,278 1.00 47.64 6 ATOMO 24 CD LYS 4 29,775 64,349 2,292 1.00 52.03 6 TCMO 25 CE LYS 4 28,317 64,743 2,137 1.00 57.56 6 ATOMO 26 NZ LYS 4 27,724 64,253 0.855 1.00 56.40 7 ATCMO 27 C LYS 4 31,243 68,234 4,825 1.00 31.44 6 ATOMO 28 OR LYS 4 31,846 67,769 5,784 1.00 29.91 8 ÁTOMO 29 NÁ LA 5 30,416 69,280 4,908 1.00 28.75 7 ? TCMO 30 C? ALA 5 30,039 69,813 6,218 1.00 27.21 6 TCMO 31 CB ALA 5 29,155 71,032 6.110 1.00 21.94 6 ATOMO 32 C ALA 5 29,278 68,683 6,923 1.00 26.42 6 ATCMO 33 OR WING 5 28,760 67,794 6,222 1.00 26.10 8 ATOMUS 34 N VAL 6 29,231 68,674 8,241 1.00 24.91 7 ATOMO 35 C? VAL 6 28,515 67,632 8,985 1.00 26.95 6 ATOMUM 36 CB VAL 6 29,490 66,738 9,770 1.00 29.36 6 ATOMO 37 CG1 VAL 6 28.779 65.726 10.676 1.00 29.86 6 TCMO 38 CG2 VAL 6 30,434 66,024 8,801 1.00 26.74 6 ? TOMO 39 C VAL 6 27.503 68.253 9.942 1.00 28.93 6 ATOMO 40 O VAL 6 27,846 68,994 10,866 1.00 31.46 8 ? TOMO 41 N LEU 7 26,233 67,929 9,758 1.00 30.08 7 ATOM 42 C? LEO 7 25.105 68.383 10.546 1.00 29.33 6 ÁTONO 43 CB LEO 7 23,839 68,346 9,657 1.00 33.18 6 ATOMO 44 CG LEO 7 22,828 69,458 9,960 1.00 34.94 6 ÁTONO 45 CDl LEO 7 22,082 69,876 8,721 1.00 27.55 6 ATCMO 46 CD2 LEU 7 21,887 69,002 11,069 1.00 32.30 TS ÁTOMO 47 C LEU 7 24,816 67,565 11,794 1.00 29.57 6 ATOMO 48 OR LEO 7 24,653 66,351 11,800 1.00 30.04 8 ATOMO 49 N LYS 8 24,768 68,242 12,930 1.00 28.04 7 ATOM 50 C? LYS 8 24,568 67,692 14,257 1.00 25.12 6 ATOMO 51 CB LYS 8 25,738 68,179 15,132 1.00 33.32 6 ÁTOMO 52 CG LYS. 8 25.777 67.611 16.532 1.00 39.37 6 ATOMO 53 CD LYS 8 25,967 68,598 17,652 1.00 43.84 6 ATOMO 54 CE LYS 8 27.129 69.561 17.487 1.00 47.78 6 ATOMO 55 NZ LYS 8 27,525 70,175 18,793 1.00 48.98 7 ? TOMO 56 C LYS 8 23,233 68,192 14,797 1.00 24.53 6 ATCMO 57 0 LYS 8. 22,934 69,384 14,339 1.00 25.35 8 ÁTOMO 58 N LEU 9 22,423 67,310 15,333 1.00 24.78 7 ATCMO 59 C? LEU 9 21,080 67.S53 15,843 1.00 22.07 6 ATOM 60 CB LEO 9 20,189 66,483 15,190 1.00 20.04 6 ATOMO 61 CG LEU 9 18,725 66,363 15,596 1.00 20.57 6 ? TOMO 62 CDl LEU 9 17.980 67.624 15.214 1.00 19.57 6 ÁTOMO 63 CD2 LEU 9 18,084 65,137 14,903 1.00 23.44 6 ÁTOMO 64 C LEU 9 21,019 67,415 17,346 1.0021.01 6 ATOMO 65 OR LEO 9 21,424 66,393 17,869 1.0022.38 8 ATOM 66 N GLO 10 20,583 68,410 18,118 1.0022.53 7 ATCMO 67 C? GLO 10 20,480 68,285 19,567 1.0021.02 6 ÁTOMO 68 CB GLU 10 21,523 69,182 20,270 1.0027.36 6 ? TOMO 69 CGA GLU 10 22,971 68,778 20,090 0.5028.21 6 ATCMO 70 CGB GLO 10 22,946 68,657 20,195 O.SO 38.29 6 ATOMO 71 CD GLU 10 24,047 69,789 20,422 0.5028.55 6 ATOMO 72 CDB GLU 10 23,100 67,202 20,587 0.50 43.48 6 ÁTONO 73 OE1 GLO 10 25,131 69,365 20,907 0.5026.56 8 ? TOMO 74 OBI GLO 10 22.443 66.771 21.S6S 0.50 47.24 8 ATONO 75 OE2 GLU 10 23.888 71.008 20.186 0.5022.10 8 ATCMO 76 OE2 GLU 10 23,871 66,486 19,908 0.5046.42 8 ÁTOMO 77 C GLU 10 19,096 68,728 20,008 1.00 19.76 6 ATOMO 78 OR GLU 10 18.701 69.842 19.613 1.00 18.00 8 ATOMO 79 N PRO 11 18,423 67,995 20.88B 1.00 19.07 7 ATOMO 80 CD PRO 11 17,058 68,340 21,390 1.0018.71 6 ATOM 81 C? PRO 11 18,834 66,662 21,319 1.0018.84 6 ATOMO 82 CB PRO 11 17,807 66,272 22,365 1.00 17.38 6 ATOMO 83 CG PRO 11 16,560 67,000 21,944 1,0018.86 6 ATOMO 84 C PRO 11 18,787 65,758 20,090 1.00 20.01 6 ? VOLUME 85 OR PRO 11 18,310 66,212 19,051 1,0016.22 8 TCMO 86 N PRO 12 19,232 64,517 20,155 1.00 19.94 7 ATOMO 87 CD PRO 12 19,915 63,948 21,361 1.0021.08 6 ATOM 88 C? PRO 12 19.409 63.700 18.976 1.00 20.68 6 ATCMO 89 CB PRO 12 20,455 62,656 19,397 1.00 19.82 6 ATOMO 90 CG PRO 12 20,292 62,567 20,872 1.0023.59 6 ATCMO 91 C PRO 12 18,179 63,061 18,395 1.00 18.70 6 ATOM 92 OR PRO 12 18,268 62,475 17,318 1.00 19.85 8 ÁTOMO 93 N TRP 13 17,039 63,169 19,059 1.0015.64 7 TOMO 94 C? TRP 13 15,815 62,568 18,561 1.00 17.91 6 ATOM 95 CB TRP 13 14,688 62,840 19,562 1.0014.32 6 ATOMO 96 CG TRP 13 15.124 62.749 21.006 1.00 16.77 6 ? TOMO 97 CD2 TRP 13 15,633 61,612 21,703 1.00 16.90 6 ATOM 98 CB2 TRP 13 15,899 62,005 23,032 1.00 16.87 6 ATOM 99 CE3 TRP 13 15,867 60,279 21,350 1.0018.03 6 ? TOMO 100 CDL TRP 13 15.106 63.769 21.916 1.00 18.97 6 ATCMO 101 NEI TRP 13 15,589 63,343 23,137 1.00 11.16 7 ÁTOMO 102 CZ2 TRP 13 16.405 61.124 23.973 1.00 15.92 6 ATOMO 103 CZ3 TRP 13 16,358 59,409 22,301 1,0010.59 6 ATOM 104 CH2 TRP 13 16,645 59,825 23,611 1.00 17.87 6 ATOMO 105 C TRP 13 15,421 63,033 17,163 1.00 19.47 6 ATOMO 106 OR TRP 13 15,283 64,238 16.908 1.0017.22 8 ATOM 107 N XLE 14 15,101 62,078 16,275 1.00 16.57 7 ATCMO 108 C? XLE 14 14,666 62,441 14,936 1.00 18.93 6 ATOMO 109 CB XLE 14 15,185 61,523 13,816 1.00 16.07 6 ? VOLUME 110 CG2 ILE 14 16,720 61,521 13,840 1.00 16.61 6 ATOMO 111 CG1 ILE 14 14,582 60,119 13,972 1.0021.35 6 ATON 112 CDl ILE 14 15,045 59,150 12,896 1.0026.28 6 ÁTOMO 113 C XLE 14 13,144 62,549 14,825 1,0020.48 6 ÁTOMO 114 O XLE 14 12,652 63,048 13,817 1.00 19.41 8 ATOMO 115 N ASN 15 12,403 62,087 15,836 1.0019.46 7 ATOM 116 C? ? SN 15 10,935 62,270 15,778 1.00 18.11 6 ATCMO 117 CB? SN 15 10,161 60,962 15,731 1.00 13.53 6 ATOMO 118 CG? SN 15 10,591 59,946 16,762 1.00 19.11 6 ATOMO 119 OD1 ASN 15 11.728 59.959 17.227 1.00 13.35 8 ATOM 120 ND2 ASN 15 9,688 59,033 17,142 1.00 10.11 7 ÁTOMO 121 C ASN 15 10,632 63,124 17,005 1.00 17.54 6 ATOMO 122 O? SN 15 11,016 62,735 18,111 1.00 15.32 8 ATOMO 123 N VAL- 16 10.122 64.331 16.805 1.00 16.86 7 ATOMO 124 C? VAL 16 9.871 65.273 17.893 1.00 15.77 6 ATOMO 125 CB VAL 16 10,761 66,534 17,748 1.00 16.54 6 ATO OR 126 CG1 VAL 16 12,251 66,141 17,733 1.00 13.42 6 ATONO 127 CG2 VAL 16 10,490 67,345 16,491 1.00 18.04 6 ATOMY 128 C VAL 16 * 8,420 65,708 17,921 1.00 19.01 6 ÁTOMO 129 O VAL 16 7.618 65.381 17.010 1.00 17.12 8 ATOMO 130 N LEO 17 8,022 66,422 18,964 1.00 17.68 7 ATOMO 131 C? LEO 17 6,664 66,962 19,068 1.00 15.11 6 ATOMO 132 CB LEO 17 6,162 66,726 20,522 1,0020.26 6 ATOMO 133 CG LEO 17 5,873 65.2S1 20,823 1.0023.07 6 ATOMO 134 CDl LEO 17 5,447 65,013 22,253 1.00 17.70 6 ATCMO 135 CD2 LEO 17 4,832 64,714 19,855 1,0026.74 6 ATOMO 136 C LEO 17 6,563 68,439 18,732 1 .00 16 .37 6 ATOM 1 13377 OR LEO 17 7.S18 69,187 18,961 1 .00 18 .24 8 ATOMO 1 13388 N GLN 18 5,424 68,931 18,227 1 .00 18 .55 7 ATOMUM 139 C? GLN 18 5.237 70.370 18.032 1 .00 19 .13 6? VOLUME 140 CB GLN 18 3.790 70.721 17.696 1 .00 31.65 6 ATOMS 141 CG GLN 18 3.510 71.249 16.314 1 .00 37 .32 6 ATOMO 142 CD GLN 18 2.120 70.902 15,800 1 .36 36 .92 6 ATOMO 143 OBI GLN 18 1,953 70,032 14,943 1 .00 30 .97 8? VOLUME 144 RE2 GLN 18 1,135 71,618 16,333 1 .00 31 .73 7 ATCMO 1 144SS C GLN 18 5,561 71,077 19,348 1. 00 19 .43 6 ATCMO 1 14466 O GLN 18 5,194 70,568 20,413 1 .00 18 .10 8 ATCMO 1 14477 N GLO 19 6,317 72,164 19,232 1 .00 19 .68 7? VOLUME 148 C? GLU 19 6,727 73,045 20,293 1 .00 18 .88 6 ATOMO 149 CB GLU 19 5,597 73,341 21,293 1 .00 27 .39 6 ATOMO 150 CG GLO 19 4,649 74,418 20,714 1 .00 30 .12 6 ATOM 151 CD GLO 19 3,558 74,699 21,720 1 .00 41 .87 6 ATOMO 152 OE1 GLO 19 3,857 75,330 22,758 1. .00 48, .83 8 ATOMUM 153 OE2 GLU 19 2,421 74,272 21,464 1.. 46 46, .61 8 ATOMO 1 15544 C GLU 19 8,004 72,622 20,998 1 .00 21 .46 6? VOLUME 1 15555 OR GLO 19 8.496 73.405 21.815 1 .00 26 .39 8 ATOMY 156 N? SP 20 8,606 71,506 20,619 1, .00 19 .91 7 ATOMO 157 CA? SP 20 9.B98 71.094 21.114 1. .00 20 .76 6 ATOMO 158 CB? SP 20 10.285 69.649 20.726 1, .00 13, .47 6 ATOMO 159 CG? SP 20 9.587 68.S78 21.526 1. .00 13. .93 6 ATCMO 160 OD1 ASP 20 8.873 68.805 22.534 1. .00 17 .57 8 ATOMO 161 OD2 ASP 20 9.723 67.405 21.104 1. .00 13 .79 8 ATOM 1 16622 C ASP 20 11,002 71,950 20,451 1, .00 19 .58 6? TCMO 116633 OR ASP 20 10,913 72,219 19,262 1. .00 17. .49 8? VOLUME 116644 N SER 21 12,071 72,198 21,174 1. .00 17. .22 7? TCMO 165 C? SBR 21 13,233 72,929 20.6S9 1. .00 17. .62 6? TCMO 166 CBA SER 21 14,011 73,525 21,844 0. .50 17. .49 6 ATOMS 167 CBB SER 21 13,981 73,556 21,846 0. .50 13, .14 6 ATOMO 168 OGA SER 21 14.900 74.516 21.355 0..50 22. .95 8 ATOMO 169 OGB SER 21 13,175 74,579 22,416 0, .50 6. .85 ATOMO 170 C SER 21 14,181 72,038 19,873 1. .00 18 , .61 6 ATOMO 171 OR SER 21 14.424 70.884 20.265 1. .00 21. .41 8 ATOMIO 172 N VAL 22 14.638 72.512 18.721 1. .00 15. .80 7 ATCMO 173 CA VAL 22 15.585 71.733 17.910 1. .00 17. .93 6 ATOMO 174 CB VAL 22 15,052 71,234 16,560 1. .00 20. .37 6 ATOMS 175 CG1 VAL 22 16,093 70,401 15,804 1., 00 17, .77 6 ATOMO 176 CG2 VAL 22 13,858 70,300 16,679 1.. 00 17. .26 6 ATOMO 1 17777 C VAL 22 16.822 72.609 17.665 1., 00 19. .20 6 ATCMO 117788 OR VAL 22 16.633 73.769 17.291 1. .00 18. .52 8 ATOMS 117799 N THR 23 18,021 72,107 17,917 1 ., 00 16. .32 7 ATOMO 180 C? THR 23 19,249 72,823 17,648 1. .00 19. .99 6 ATOMO 181 CB THR 23 20,080 73,128 18,911 1. .00 22. .97 ATOMO 182 OG1 THR 23 19,192 73,749 19,850 1. .00 18. .42 8? TOMO 183 CG2 THR 23 21,241 74,057 18,614 1., 00 16., 78 6 ATOM 1 18844 C THR 23 20,098 72,016 16,658 1., 00 24., 68 6 ATOMO 118855 OR THR 23 20,509 70,880 16.897 1. .00 22. .59 8 ATOMO 186 N LEO 24 20,257 72,618 15,467 1. .00 23. .73 7 ATCMO 187 C? LEO 24 21,081 72,051 14,423 1. 00 23. 11 6 ÁTOMO 188 CB LEO 24 20,427 72,206 13,046 1. 00 20. 25 6 ÁTOMO 189 CG LEU 24 19,053 71,480 12,959 1. 00 23. 95 6 ÁTOMO 190 CDl LEU 24 18,324 71,856 11,681 1. 00 20. .78 6 ATOM 191 CD2 LEU 24 19,251 69,985 13,049 1. 00 22., 74 6 ATOMUM 192 C LEU 24 22,444 72,763 14,450 1.00 25. 87 6 ATCMO 193 0 LE 24 22,470 74,008 14,537 1. 00 24. 57 8 ATOMS 194 N THR 25 23,520 71,980 14,367 1. 00 20. 22 7 ATOMS 195 C? THR 25 24,847 72,600 14,336 1. 00 23. 21 6 ATOM 196 CB THR 25 25,656 72,265 15,597 1. 00 27. 69 6 ATOMO 197 OG1 THR 25 24,945 72,730 16,755 1.00 26. 30 8 ATOM 198 CG2 THR 25 27,041 72,925 15,590 1. 00 28. 49 6 ATOMO 199 C THR 25 25.604 72.166 13.075 1. 00 22. 31 6 ATOMUM 200 OR THR 25 25.706 70.951 12.819 1. 00 23. 86 8 ATOMUM 201 N CYS 26 26.092 73.134 12.307 1. 00 18. 68 7 ATOM 202 C? CYS 26 26,832 72,888 11,075 1. 00 23. 20 6 ATOM 203 c CYS 26 28,345 72,910 11,346 1. 00 23. 06 6 ATCMO 204 or CYS 26 28,957 73,980 11,556 1. 00 23. 76 8 ATOMO 205 CB CYS 26 26,509 73,881 9,958 1. 00 17. 92 6 ATOMO 206 SG CYS 26 27,138 73,358 8,311 1,0022.25 16 ATCMO 207 N GLN 27 28,929 71,729 11,355 1.00 19.35 7 ATOMO 208 C? GLN 27 30,332 71,521 11,658 1.00 23.30 6 ATCMO 209 CB GLN 27 30,543 70,209 12,464 1.00 29.78 6 ATOMO 210 CG GLN 27 29,623 70,044 13,672 1.0031.50 6 ATCMO 211 CD GLN 27 29,927 68,828 14,518 1.0033.01 6 ? TOMO 212 OE1 GLN 27 30,322 67,774 14,032 1.0038.67 8 ATCMO 213 NE2 GLN 27 29.792 68.895 15.834 1.00 36.36 7 ATCMO 214 C GLN 27 31,169 71,417 10,377 1,0026.33 6 ? TCMO 215 OR GLN 27 30,764 70,856 9,347 1.0023.15 8 ATCMO 216 N GLY 28 32,363 72,019 10,438 1,0027.69 7 ATOM .217 C? GLY 28 33,289 72,019 9,313 1.00 28.02 6 ÁTOMO 218 c GLY 28 34,022 73,360 9,215 1,0029.41 6 TCMO 219 0 GLY 28 33,639 74,335 9,862 1.00 28.46 8 ? TOMO 220 N ALA 29 35,062 73,421 8,389 1,0027.48 7 ? TOMO 221 C? ALA 29 35,824 74,640 8,210 1.00 27.39 6 TCMO 222 CB ALA 29 36,979 74,353 7,239 1,0025.91 6 TCMO 223 c ALA 29 34,959 75,730 7,574 1.00 28.27 6 ATOM 224 or ALA 29 34.31S 75,415 6,561 1,0026.07 8 ATOM 225 N ARG 30 35,060 76,951 8,064 1.00 23.97 7 ATOM 226 C? ? RG 30 34.303 78.055 7.490 1.0027.17 6 ? TCMO 227 CB ARG 30 33,571 78,823 8,601 1,0030.34 6 TCMO 228 CG ARG 30 32,574 78,090 9,460 1.00 34.05 6 ATOM 229 CD ARG 30 32,365 78,880 10,761 1.00 33.86 6 ÁTOMO 230 ME ARG 30 32.407 77.902 11.836 1.00 38.60 7 ATOMO 231 CZ? RG 30 32,487 78,082 13,926 1.0038.08 6 ATOM 232 NH1 ARG 30 32,567 79,298 13,635 1.0036.SI 7 ATOM 233 NH2 ARG 30 32,467 76,990 13,879 1.00 46.13 7 ? TOMO 234 C ARG 30 35,194 79,148 6,880 1,0026.70 6 ? TOMO 23S O? RG 30 36,399 79,142 7,075 1,0029.22 8 ATCMO 236 N SER 31 34,573 80,129 6,246 1.00 26.85 7 ATCMO 237 C? SER 31 35,315 81.2B4 5,738 1.00 26.56 6 ÁTOMO 238 CB SER 31 34,682 81,846 4,476 1,0025.03 6 TCMO 239 OG SER 31 34,562 80,875 3,477 1,0027.59 8 ? VOLUME 240 C SBR 31 35,273 82,321 6,861 1.00 26.58 6 ATOM 241 OR SER 31 34,396 82,246 7,739 1.00 23.91 8 TOMO 242 N PRO 32 36,163 83,308 6,839 1.00 23.48 7 ATOMO 243 CD PRO 32 37,224 83,483 5,842 1,0022.70 6 ATOM 244 C? PRO 32 36,176 84,350 7,861 1.00 24.75 6 ATOMO 245 CB PRO 32 37,621 84,830 7,805 1.0024.34 6 ATCMO 246 CG PRO 32 38,095 84,571 6,414 1,0023.77 6 ATCMO 247 C PRO 32 35,172 85,449 7,549 1.0029.23 6 ? TOMO 248 OR PRO 32 35,472 86,609 7.223 1.00 28.28 8 ? TOMO 249 N GLU 33 33,913 85,121 7,709 1.00 29.77 7 ATOM 2S0 C? GLO 33 32,725 85,896 7,417 1,0033.37 6 ? TCMo 251 CBA GLO 33 32,177 85,426 6,073 0.50 35.18 6 ? TOMo 252 CBB GLU 33 32.123 85.457 6.084 0.50 31.98 6 ATCMo 253 CGA GLO 33 30,795 84,829 5,952 0.50 39.40 6 ? TOMO 254 CGB GLO 33 31.776 83.990 5.954 0.5034.05 6 ? TCMO 255 CD? GLO 33 30,394 84,525 4,521 0.50 46.48 6 ? TOMO 256 CDB GLU 33 31.601 83.533 4.517 0.50 34.67 6 ÁTOMO 257 OE1 GLU 33 29,268 84,856 4,076 0.50 49.23 8 ? TCMO 258 OBI GLU 33 32,194 84,168 3,619 0.5032.81 8 ÁTOMO 259 OE2 GLU 33 31,232 83,952 3,788 0.50 47.50 8 ÁTOMO 260 OE2 GLU 33 30,877 82,542 4,275 0.50 24.64 8 ÁTOMO 261 C GLU 33 31,683 85,689 8,519 1,0032.61 6 ÁTOMO 262 O GLU 33 31,612 84,600 9,085 1.00 28.72 8 ATOM 263 N SER 34 30,844 86,682 8,743 1.0032.15 7 ÁTOMO 264 CA SBR 34 29,804 86,591 9,764 1.00 32.72 6 ÁTOMO 265 CB SER '34 29,277 88,013 10,037 1.0034.26 6 ÁTOMO 266 OG SER 34 28,320 87,931 11,093 1.00 45.88 8 ? TCMO 267 C SER 34 28,668 85,674 9,332 1.00 30.93 6 ? TOMO 268 OR SER 34 28,156 84,883 10,124 1.00 28.87 8 ? TOMO 269 N? SP 35 28.222 85.773 8.082 1.0028.02 7 ATOM 270 C? ? SP 35 27,167 84,858 7,599 1.00 28.62 6 ? TOMo 271 CB? SP 35 26,292 85,538 6,585 1.00 29.65 6 ÁTOMO 272 CG ASP 35 25,357 86,639 7,057 1,0037.43 6 ? TOMO 273 OD1? SP 35 25,027 86,769 8.2S8 1.00 33.53 8 ÁTOMO 274 OD2 ASP 35 24.902 87.396 6.154 1.00 36.01 8 ÁTOMO 275 C ASP 35 27.882 83.643 6.973 1.0027.08 6 ÁTOMO 276 O? SP 35 27,997 83,566 5,756 1,0028.07 8 ÁTOMO 277 N SER 36 28,461 82,748 7,774 1.00 25.55 7 ATOM 278 C? SER 36 29,282 81,680 7,225 1.00 27.45 6 ATOMO 279 CB SER 36 30,440 81,431 8.213 1.00 34.87 6 ATOMO 280 OG SER 36 29.973 80.802 9.405 1.00 39.51 8 ATOMO 281 C SER 36 28,558 80,382 6,890 1.00 27.14 6 ATOMO 282 OR SER 36 29,143 79,421 6,363 1.00 25.67 8 ATOMO 283 N XLB 37 27,293 80,223 7,231 1.00 24.64 7 ATOMO 284 C? XLB 37 26,580 78,973 6,977 1.00 24.33 6 TCMO 285 CB ILE 37 26,164 78,307 8,309 1.00 30.71 6 ATOMO 286 CG2 ILB 37 25,561 76,931 8,032 1.00 26.94 6 TCMO 287 CG1 XLE 37 27,333 78,221 9,308 1.00 21.66 6 TCMO .288 CDl XLE 37 28,443 77,278 8,867 1.00 27.66 6 TCMO 289 C ILE 37 25,336 79,159 6,128 1.00 24.08 6 ? TOMO 290 O XLE 37 24,515 80,033 6,390 1.00 23.50 8 ÁTOMO 291 N GLN 38 25.122 78.314 5.127 1.00 24.52 7 ATOM 292 C? GLN 38 23,862 78,296 4,399 1.00 23.13 6 TCMO 293 CB GLN 38 24,016 78,068 2,905 1.00 29.28 6 TOMO 294 CG GLN 38 24,458 79,296 2,123 1.00 29.86 6 ATOMO 295 CD GLN 38 24,692 78,965 0.661 1.00 33.48 6 ÁTOMO 296 OE1 GLN 38 25,540 78,122 0.323 1.00 28.34 8 ATCMO 297 NE2 GLN 38 23,922 79,668 -0,177 1.00 38.54 7 ATOMO 298 C GLN 38 23,048 77,128 4,985 1.00 23.81 6 ÁTOMO 299 0 GLN 38 23,598 76,022 5,087 1.00 22.62 ß ATOMO 300 N TRP 39 21,807 77,386 5,371 1.00 21.43 7 ? TCMO 301 C? TRP 39 20,987 76,304 5,905 1.00 21.73 6 ATOM 302 CB TRP 39 20,345 76,633 7,257 1.00 21.01 6 ATOMO 303 CG TRP 39 21,264 76,633 8,430 1.00 17.58 6 ? TCMO 304 CD2 TRP 39 21,721 75,523 9,212 1.00 17.00 6 ATOMO 305 CE2 TRP 39 22,569 76,033 10,220 1.00 16.71 6 ATOMO 306 CE3 TRP 39 21,495 74,147 9,158 1.00 21.47 6 ATOMO 307 CDl TRP 39 21,844 77,750 8,974 1.00 19.92 6 ATOMO 308 NEI TRP 39 22,626 77,400 10,061 1.00 22.18 7 ATOMO 309 CZ2 TRP 39 23,218 75,220 11,152 1.00 18.29 6 ÁTOMO 310 CZ3 TRP 39 22.109 73.329 10.091 1.00 21.62 6 ATCMO 311 CH2 TRP 39 22,960 73,874 11,064 1.00 20.15 6 ATOMO 312 C TRP 39 19,890 75,993 4,898 1.00 22.76 6 ATOMO 313 OR TRP 39 19.407 76.925 4.238 1.00 23.42 8 ATOM 314 N PHE 40 19,533 74,701 4,758 1.00 22.91 7 ATOM 315 C? PHE 40 18,512 74,389 3,754 1.00 26.86 6 ATOM 316 CB PHB 40 19.121 73.722 2.513 1.00 24.16 6 ATOMO 317 CG PHE 40 20,225 74,429 1,788 1.00 23.96 6 ATONO 318 CDl PHE 40 21,551 74,280 2,189 1.00 23.61 6 ATOMO 319 CD2 PHE 40 19,945 75,244 0.696 1.00 22.47 6 ATOMO 320 CEI PHE 40 22,564 74,919 1,504 1.00 20.83 6 TCMO 321 CE2 PHE 40 20.967 75.880 0.020 1.00 21.69 6 ÁTOMO 322 CZ PHB 40 22,267 75,740 0.432 1.00 21.86 6 ÁTOMO 323 c PHE 40 17,466 73,435 4,349 1.00 23.51 6 ATOM 324 or PHE 40 17,838 72,588 5,151 1.00 21.94 8 ATOMO 325 N HXS 41 16,232 73,575 3,905 1.00 21.59 7 ATOMO 326 C? HXS 41 15.107 72.771 4.366 1.00 24.07 6 ATOMO 327 CB HIS 41 14,032 73,572 5,099 1.00 18.72 6 ATOMO 328 CG HXS 41 12,864 72,727 5,548 1.00 23.41 6 ATOMO 329 CD2 BIS 41 12,794 71,415 5,899 1.00 21.85 6 ATCMO 330 ND1 HXS 41 11,588 73,218 5,709 1.00 21.97 7 ATOMO 331 CEI HIS 41 10.789 72.259 6.135 1.00 22.79 6 ATOMO 332 NE2 HIS 41 11.504 71.161 6.268 1.00 21.87 7 ATOMO 333 C HXS 41 14,455 72,163 3,115 1.00 21.83 6 ATOMO 334 OR HXS 41 13.972 72.919 2.282 1.00 21.37 8 ATOM 335 335 N ASN 42 14,576 70,847 2,959 1.00 22.08 7 ATOMO 336 C? ASN 42 14,077 70,196 1,726 1.00 20.46 6 ATCMO 337 CB? SN 42 12,562 70,322 1,722 1.00 18.21 6 ATOMUM 338 CG? SN 42 11.925 69.397 2.761 1.00 22.74 6 ATOMO 339 OD1? SN 42 12,473 68,343 3,087 1.00 24.40 8 ATOMO 340 ND2? SN 42. 10,804 69,804 3,341 1.00 18.43 7 ATOMO 341 C? SN 42 14,733 70,811 0.488 1.00 21.32 6 ATOMUM 342 OR ASN 42 14,085 71,047 -0,533 1.00 20.13 8 ATOMO 343 N GLY 43 16,002 71,220 0.568 1.00 20.53 7 TOMO 344 C? GLY 43 16,767 71,861 -0,480 1.00 20.83 6 ATOMO 345 C GLY 43 16,586 73,360 -0,661 1.00 24.51 6 ATOMO 346 0 GLY 43 17,209 73,987 -1,530 1.00 25.30 8 ATCMO 347 N ASN 44 15,633 73,970 0.051 1.00 21.27 7? TOMO 348 CA? SN 44 15,391 75,393 -0,112 1.00 20.46 6 ? TOMO 349 CB ASN 44 13.903 75.734 0.000 1.00 23.82 6 ATCMO 350 CG ASH 44 13,049 74,834 -0,891 1.0022.26 6 ATOMO 351 OD1 ASN 44 12,148 74,144 -0,409 1.0025.47 8 TCMO 352 RD2 ASH 44 13,382 74,787 -2,171 1.0021.59 7 ATOMO 353 C ASH 44 16,208 76,143 0.937 1.00 19.78 6 ATOMO 354 O? SH 44 16,180 75,778 2,107 1.0022.07 8 ÁTOMO 355 N LEO 45 16.907 77.1B8 0.523 1.0022.22 7 ATCMO 356 C? LEU 45 17,730 77,962 1,459 1.0021.67 6 ATOMO 357 CB LEU 45 18,391 79,141 0.715 1.0028.15 6 ATOMO 358 CG LEO 45 19,159 B0.171 1,538 1.0029.14 6 ATOMO 359 CDl LEO 45 20,479 79,571 2,002 1.0025.07 6 ATOMO 360 CD2 LEU 45 19,452 81,466 0.775 1.0028.51 6 ATOMO 361 C LEU 45 16.8..5 78,559 2,525 1.0022.27 6 ATOMO 362 OR LEU 45 15,748 78,997 2,118 1.0020.13 8 ? TOMO 363 H XLE 46 17,263 78,604 3,766 1.0020.11 7 ? TOMO 364 C? XLB 46 16,539 79,322 4,835 1.00 24.64 6 ATOMO 365 CB XLE 46 16,657 78,508 6,132 1.0022.24 6 ATOMO 366 CG2 XLE 46 16,007 79,134 7,358 1.0021.33 6 ATOMO 367 CG1 XLE 46 16,111 77,072 5,945 1,0020.74 6 ? TOMO 368 CDl XLE 46 16,664 76,147 7,024 1,0020.48 6 ATOMO 369 C XLE 46 17,351 80,625 5,006 1.0025.53 6 ÁTOMO 370 O XLE 46 18,419 80,600 5,624 1.00 22.91 8 ATCMO 371 H PRO 47 16,937 81,747 4,444 1,0030.56 7 ATOMO 372 CD PRO 47 15.704 81.884 3.620 1.0032.61 6 ATOM 373 C? PRO 47 17,731 82,968 4,434 1,0030.93 6 ? TOMO 374 CB PRO 47 17,030 B3,836 3,363 1.0031.28 6 ? TOMO 375 CG PRO 47 15,610 83,400 3,441 1,0032.54 6 ATCMO 376 C PRO 47 17,888 83,762 5,706 1.0028.32 6 ATOM 377 OR PRO 47 18,733 84,670 5,747 1.0029.24 8 ÁTOMO 378 H THR 48 17,092 83,513 6,730 1.0026.79 7 ? TOMO 379 C? THR 48 17,135 84,298 7,971 1.00 26.97 6 ATOM 380 CB THR 48 15,698 84,323 8,532 1,0031.78 6 ATOMO 381 OG1 THR 48 15,241 82,958 8,520 1,0031.45 8 ATOM 382 CG2 THR 48 14,798 85,150 7,605 1.00 27.40 6 ATOM 3B3 C THR 48 18,075 83,757 9,021 1.0026.31 6 ATOMO 384 OR THR 48 18,206 84,334 10,113 1.0028.00 8 ATOMO 385 N HXS 49 IB.698 82,602 8.772 1.00 24.44 7 ? TOMO 386 C? HIS 49 19,612 81,942 9,707 1.0024.19 6 ATCMO 387 CB HXS 49 18,953 80,610 10,174 1.0025.11 6 ATCMO 388 CG HXS 49 17,722 80,939 10,961 1.00 22.20 6 ATOMO 389 CD2 HXS 49 16,430 81,109 10,624 1.00 27.86 6 ? TOMO 390 HD1 HXS 49 17,809 81,225 12,306 1.0029.80 7 ATOMO 391 CEI HXS 49 16,595 81,526 12,762 1.0028.91 6 ATOM 392 NB2 HXS 49 15,748 81,474 11,761 1.0025.35 7 ATOMO 393 C HXS 49 20,923 81,588 9,041 1.0023.08 6 ? TOMO 394 OR HXS 49 20,942 80,805 8.075 1.0020.57 8 ÁTOMO 395 H THR 50 22,038 82,162 9,497 1,002S.11 7 TOMO 396 C? THR 50 23,321 81,974 8,807 1,0022.98 6 TCMO 397 CB THR 50 23,732 83,314 8,137 1,0023.01 6 TCMO 398 OG1 THR 50 23,843 84,252 9,231 1.00 18,66 8 ATC-MD 399 CG2 THR 50 22,757 83,817 7,101 1.00 19.07 6 ? TOMO 400 C THR 50 24,460 81,645 9,766 1.0024.61 6 TCMO 401 OR THR 50 25,640 81,772 9,393 1.0026.17 8 ATOM 402 402 N GLN 51 24,126 81,274 10,985 1.0024.52 7 ATOM 403 C? GLN 51 25,132 80,979 11,995 1.0027.31 6 ÁTOMO 404 CB GLN 51 24.708 81.505 13.378 1.00 28.63 6 TCMO 405 CG GLN 51 24,438 83,014 13,378 1,0032.81 6 ATOMO 406 CD GLW 51 25,677 83,810 12,995 1.00 38.53 6 ATOMO 407 OBI GLN '51 26.606 83.952 13.802 1.0037.60 8 ? TOMO 408 NE2 GLN 51 25,724 84,331 11,765 1.0032.79 7 TCMO 409 C GLN 51 25,411 79,487 12.101 1.0026.69 6 ? TOMO 410 O GLN 51 24,626 78,636 11,689 1.0026.27 8 ATCMO 411 H PRO 52 26,510 79,138 12,769 1.0025.16 7 ATOMo 412 CD PRO 52"27.553 80.091 13.270 1.0024.54 6 TCMO 413 C? PRO 52 26,917 77,763 12,974 1.0025.24 6 ATOM 414 CB PRO 52 28,264 77,888 13,708 1.0026.09 6 ATOM 415 CG PRO 52 28,804 79,217 13,257 1,0023.35 6 ? TOMO 416 C PRO 52 2S.900 76.915 13.722 1.0025.71 6 TOMO 417 OR PRO 52 25,877 75,687 13,542 1,0021.61 8 ATOMO 418 N SER 53 25,044 77,497 14,556 1.0024.05 7 ATOM 419 C? SER 53 23,991 76,773 15,239 1.0025.63 6 ÁTOMO 420 CB SER 53 24.105 76.711 16.758 1.0031.86 6 ? TOMO 421 OG SER 53 24,778 75,495 17,094 1.00 42.46 8 ÁTOMO 422 C SER 53 22,681 77,460 14,854 1.00 24.85 6 TOMO 423 OR SER 53 22,681 78,673 14,691 1.0023.68 8 ? TOMO 424 N TYR 54 21,658 76,689 14,614 1.00 24.52 7 ATOMO 425 C? TYR 54 20,333 77,167 14,212 1.00 26.29 6 ? TOMO 426 CB TYR 54 20,050 76,886 12,729 1.00 26.92 6 ? TOMO 427 CG TYR 54 18,612 76,998 12,274 1.0030.15 6 TCMO 428 CDl TYR 54 17,719 77,905 12,825 1.0029.18 6 ? TOMO 429 CB1 TYR 54 16.407 78.006 12.409 1.00 31.26 6 ATCMO 430 CD2 TYR 54 18.104 76.166 11.280 1.00 31.67 6 TCMO 431 CE2 TYR 54 16,796 76,217 10,855 1.00 31.66 6 ATCMO 432 CZ TYR 54 15,950 77,151 11,429 1,0033.63 6 ÁTOMO 433 OH TYR 54 14,624 77,219 11,038 1.00 34.53 8 ATOM 434 C TYR 54 19,378 76,450 15,167 1.00 24.84 6 ATOM 435 OR TYR 54 19,300 75,210 15,129 1.0022.53 8 ATOM 436 N ARG 55 18,773 77,181 16,070 1.0021.66 7 ATOMO 437 C? ARG 55 17,864 76,650 17,070 1,0023.60 6 ATCMO 438 CB? RG 55 18,242 77,157 18,480 1.00 25.95 6 ATOMO 439 CG ARG 55 17,478 76,340 19,551 1.00 23.98 6 ÁTOMO 440 CD ARG 55 17,651 76,982 20,918 1.0035.38 6 ATOMO 441 NE ARG 55 16,821 76,365 21,956 1.00 27.47 7 ATCMO 442 CZ? RG 55 17,278 75,530 22,879 1.00 33.10 6 ÁTOMO 443 NH1 ARG 55 18,570 75,209 22,904 1.00 30.00 7 ÁTOMO 444 NH2 ARG 55 16,418 75,049 23,778 1.00 32.66 7 ATOMO 445 C ARG 55 16,434 77,103 16,780 1.00 27.49 6 TOMO 446 O? RG 55 16,275 78,312 16,569 1.00 22.62 8 ATOMS 447 N PHB 56 15,455 76,174 16,781 1.0023.78 7 ATOM 44B C? PHE 56 14,092 76,636 16,510 1,0021.92 6 ÁTOMO 449 CB PHB 56 13,716 76,495 15,036 1.00 25.99 6 ATCMO 450 CG PHE 56 13,819 75,131 14,386 1.00 20.84 6 ATOMO 451 CDl PHE 56 15,019 74,653 13,997 1.0021.33 6 ? TOMO 452 CD2 PHE 56 12,705 74,319 14,264 1,0020.31 6 ATOM 453 CE PHB 56 15,103 73,415 13,283 1.0021.52 6 ATCMO 454 CB2 PHE 56 12,768 73,077 13,680 1.00 18.36 6 ATCMO 455 CZ PHB 56 13,973 72,616 13,159 1.00 18.38 6 ÁTOMO 456 C PHE 56 13,095 75,862 17,372 1.00 23.93 6 ÁTOMO 457 O PHB 56 13,454 74,833 17,921 1.00 22.42 8 ÁTOMO 458 N LYS 57 11,865 76,340 17,423 1.00 22.46 7 TCMO 459 C? LYS 57 10.73S 75.659 18.054 1.00 24.34 6 TOMO 460 CBA LYS 57 9,892 76,620 18,881 O.SO 28.51 6 ? TOMO 461 CBB LYS 57 9,822 76,727 18,669 O.SO 22.87 6 ? TOMo 462 CGA LYS 57 10,656 77,298 20,010 0.50 33.64 6 ATCMO 463 CGB LYS 57 8,769 76,208 19,632 0.5024.29 6 ATOMo 464 COA LYS 57 11,436 76,342 20,892 0.5040.75 6 ATOMo 465 CDB LYS 57 8.631 77,186 20.798 0.50 26.90 6 ATCMo 466 CEA LYS 57 12,612 76,990 21,603 O.SO 43.07 6 ATOMO 467 CBB LYS 57 9,138 76,604 22,092 0.5029.79 6 ATOM 468 NZ? LYS 57 12,703 76,630 23,044 0.50 51.71 7 TOMO 469 NZB LYS 57 8,050 76,265 23,060 0.50 36.22 7 ? TOMO 470 C LYS 57 9,950 74,923 16,969 1.0021.30 6 ATOMO 471 OR LYS 57 9,436 75,551 16,052 1.00 19.46 8 ATCMO 472 N ALA 58 9.928 73.588 16.945 1.00 18.23 7 ATOMO 473 C? WING 58 9,341 72,864 15,821 1.00 15.74 6 TCMO 474 CB WING 58 9.612 71.361 16.094 1.00 9.09 6 ATOM 475 C ALA 58 7,841 73,034 15,614 1.0020.26 6 ATCMO 476 OR WING 58 7,067 73,064 16,574 1.00 18.04 8 ATOM 477 N ASN 59 7,392 73,126 14,367 1.00 18.31 7 ATOMO 478 C? ASN '59 5,986 73,071 14,019 1.0023.04 6 ATOMO 479 CB? SN 59 5,222 74,301 13,612 1,0032.39 6 ATOMO 480 CG ASN 59 5,880 75,643 13,665 1.0038.26 6 ATOMO 481 OD1 ASN 59 5,855 76,279 14,716 1.00 42.50 8 ÁTOMO 482 ND2 ASN 59 6,426 76,066 12,529 1,0043.39 7 ATOMO 483 C ASN 59"5,825 72,052 12,867 1.0024.07 6 ATOMO 484 O? SN 59 6,794 71,476 12,365 1.0021.25 8 ÁTOMO 485 N ASN 60 4,582 71,833 12,484 1,0024.40 7 ATOM 486 C? ? SN 60 4,192 70,823 11,519 1,0031.47 6 ATOMO 487 CB? SN 60 2,680 70,893 11,234 1,0031.46 6 ? TOMO 488 CGA ASN 60 2,272 69,776 10,274 O.SO 31.26 6 ATOMS 489 CGB? SN 60 2,221 72,272 10,814 O.SO 35.72 6 ATOMS 490 OD1 ASN 60 2,337 68,582 10,597 0.5022.52 8 TCMO 491 OD1? SN 60 2,985 73,240 10,768 0.5033.04 8 ? TOMO 492 ND2? SN 60 1,863 70,175 9,070 0.5026.04 7 ATOM 493 ND2 ASN 60 0.932 72,391 10,483 0.5039.47 7 ? TOMO 494 C? SN 60 5,006 70,943 10,234 1,0029.05 6 ATOM 495 OR ASN 60 5.645 69.986 9.780 1.0032.27 B TCMO 496 N ASN 61 5,098 72. 53 9.710 1.0030.20 7 ATOMO 497 CAA ASN 61 5,863 72,487 8,529 0.5028.68 6 ATOMO 498 CAB? SN 61 5,857 72,367 8,477 0.5029.13 6 ATOM 499 CBA ASN 61 5,564 73,955 8,150 0.5026.19 6 ATCMO 500 CBB ASN 61 5,403 73,671 7,806 0.5030.25 6 ATCMO .501 CGA ASN 61 4,101 74,127 7,792 0.5027.01 6 ATOM 502 CGB? SN 61 5,608 74,882 8,678 0.5032.36 6 ATOM 503 OD1? SN 61 3,502 75,125 8,184 0.5028.58 8 ATCMO 504 OD1? SN 61 6,383 74,820 9,637 0.5033.38 8 ATOM 505 ND2 ASN 61 3,526 73,172 7,071 0.5034.39 7 ATCMO 506 ND2 ASN 61 4,927 75,991 8,384 0.50 33.52 7 ATOMO 507 C? SN 61 7,371 72,336 8,628 1,0025.33 6 ATOMO 508 O? SN 61 8,030 72,535 7,617 1,0021.46 8 ? TOMO 509 N ASP 62 7,932 71,978 9,767 1.0024.89 7 ? TOMO 510 C? ASP 62 9,373 71,842 9,941 1,0021.37 6 ? TCMO 511 CB ASP 62 9.749 72.284 11.372 1.0016.89 6 ATCMO 512 CG ASP 62 9.620 73.782 11.538 1.0026.20 6 ATOM 513 OD1 ASP 62 9,824 74,549 10,570 1.0020.81 8 ATCMO 514 OD2 ASP 62 9.276 74.273 12.611 1.00 17.90 8 ATOMO 515 C? SP 62 9,887 70,439 9.645 1.00 18.69 6 ATCMO 516 O? SP 62 11,104 70,209 9.6S4 1.0020.50 8 ATOM 517 N SER 63 9,011 69,477 9,394 1.00 19.81 7 ATOM 518 C? SER 63 9,434 68,132 9,015 1.00 19.84 6 ATOM 519 CB SER 63 8,268 67,164 8,811 1,0022.04 6 ÁTOMO 520 OG SER 63 7.506 67.018 10.009 1.0020.02 8 ATOM 521 C SER 63 10,196 68,204 7,682 1.0023.89 6 ? VOLUME 522 0 SER 63 10,015 69,160 6,911 1,0017.92 8 ATOM 523 N GLY 64 11,056 67,195 7,467 1.00 19.50 7 ATOM 524 C? GLY 64 11,769 67,191 6,190 1.0022.23 6 ? TOMO S2S C GLY 64 13,272 66,965 6,340 1.00 19.81 6 ? VOLUME 526 OR GLY 64 13,744 66,564 7,399 1.00 18.93 8 ? VOLUME 527 N GLU 65 13,980 67,226 5,238 1.00 17.01 7 ATOM S28 C? GLU 65 15,428 67,013 5,269 1.0021.39 6 ATOM 529 CUA GLU 65 15,934 66,562 3,901 0.50 13.64 6 ATOMo 530 CBB GLU 65 15,933 66,446 3,947 0.5023.81 6 TCMO 531 CGA GLU 65 16.507 65.158 3.813 0.5015.71 6 ATOM 532 CGB GLU 65 15,409 65,059 3,602 0.5032.15 6 ATCMO 533 CDA GLO 65 16,656 64,679 2,381 0.5022.33 6 ATCMQ 534 CDB GLU 65 15,898 63,965 4,520 0.50 40.56 6 ? TOMO 535 OE1 GLU 65 17,428 65,263 1,586 0.5022.70 8 ATCKo 536 OE1 GLU 65 16,578 64,271 5,525 O.SO 41.83 8 ATCMo 537 OE2 GLO 65 15,991 63,686 2,014 O.SO 31.04 8 ATOMo 538 OE2 GLU 65 15,624 62,758 4,278 0.50 46.02 8 ATOMo 539 C GLU 65 16,155 68,324 5,593 1.0021.56 6 ATOMo 540 O GLO 65 15.756 69.325 5.007 1.0021.41 8 ATCMo 541 N TYR 66 17,172 68,268 6,458 1.0021.38 7 ATOM 542 C? TYR 66 17,966 69,483 6,691 1.00 17.91 6 ? TCMO 543 CB TYR 66 17,954 69,984 8,129 1.00 17.39 6 ATCMO 544 CG TYR 66 16,620 70,563 8,534 1.0018.08 6 ATOMO 545 CDl TYR 66 15.605 69.686 8.957 1.0018.56 6 ATOM 546 CEI TYR 66 14,369 70,147 9,323 1.00 16.48 6 ATOMO 547 CD2 TYR 66 16,348 71,921 8,485 1.00 IB.23 6 ATCMO 548 CE2 TYR 66 15.102 72.382 8.867 1.00 18.37 6 ATOMS 549 CZ TYR * 66 14.124 71.S16 9.279 1.00 18.98 6 ATCMO 550 OH TYR 66 12.872 71.939 9.624 1.00 14.14 8 ATOMO 551 C TYR 66 19,379 69,231 6,212 1.00 13.96 6 ATOMY 552 OR TYR 66 19,923 68,135 6,353 1.00 18.14 8 ÁTOMO 553 N THR 67 20,010 70,228 5,568 1.00 17.95 7 ATOM 554 C? TBR 67"21,374 70,138 5,117 1.00 18.06 6 ATOMO 555 CB THR 67 21,514 69,844 3,599 1.0022.52 6 ATOMO 556 OG1 THR 67 20,669 70,737 2,835 1.00 16.85 8 ATOMO 557 CG2 THR 67 21,215 68,371 3,309 1.00 17.46 6 ÁTOMO 558 C THR 67 22,044 71,508 5,384 1.00 18.76 6 ATOMO 559 0 THR 67 21,354 72,515 5,567 1.00 17.47 8 ATOMO 560 N CYS 68 23,354 71,540 5,389 1.00 19.74 7 ATCMO 561 CA CYS 68 24,099 72,792 5,597 1.00 23.50 6 ATCMO 562 C CYS 68 25,382 72,759 4,758 1.0023.12 6 ATOMS 563 OR CYS 68 25,791 71,712 4,279 1.00 25.07 8 ÁTOMO 564 CB CYS 68 24,434 73,082 7,055 1.00 18.70 6 TCMO 565 SG CYS 68 25,675 71,985 7,798 1.00 23.45 16 ATOMO 566 N GLN 69 25,975 73,920 4,534 1.0024.47 7 ATOM 567 C? GLN 69 27,174 74,121 3,770 1.00 24.99 6 ATOMO 568 CB GLN 69 26.909 74.344 2.264 1.00 27.22 6 ATCMO 569 CG GLN 69 28,155 74,057 1,419 1.00 25.14 6 ÁTOMO 570 CD GLN 69 27.857 74.022 -0.065 1.00 32.43 6 ATOMO 571 OEl GLN 69 26,710 74,166 -0,487 1.00 31.34 8 ÁTOMO 572 NB2 GLN 69 28.896 73.B14 -0.874 1.0027.89 7 ÁTOMO 573 C GLN 69 27.901 75.383 4.266 1.0027.60 6 ÁTOMO 574 O GLN 69 27,289 76,352 4,734 1,0025.37 8 TCMO 575 N THR 70 29,206 75,318 4,115 1,0028.73 7 ATOM 576 C? THR 70 30,059 76,465 4,439 1,0032.10 6 ? TOMO 577 CB THR 70 31.125 76.153 5.491 1.0033.36 6 TCMO 578 OG1 THR 70 30,619 75,311 6,553 1.00 45.26 8 ATCMO 579 CG2 THR 70 31,453 77,444 6,210 1.00 50.20 6 ATOMO 580 C THR 70 30.737 76.890 3.138 1.00 32.77 6 ATOM 581 OR THR 70 30,680 76,170 2,130 1.0030.75 8 ATOMO 582 N GLY 71 31,472 78,007 3,175 1,0031.83 7 ATOM 583 C? GLY 71 32,224 78,469 2,033 1,0027.97 6 ÁTOMO 584 c GLY 71 33,376 77,544 1,690 1.00 29.94 6 ATCMO 585 or GLY 71 33,938 77,668 0.596 1.0032.37 8 ATOMO 586 N GLN 72 33,842 76,707 2,594 1.00 24.86 7 ATCMO 587 C? GLN 72 34,920 75,779 2,457 1.00 27.14 6 ? TOMO 588 CB GLN 72 35,668 75,974 3,667 1.00 27.31 6 ? TOMO 589 CG GLN 72 36,291 77,451 3,825 1.00 30.51 6 ATOM 590 CD GLN 72 36,961 77,995 2,567 1.00 30.53 6 ATOMO 591 OBI GLN 72 37,981 77,441 2,161 1.00 39.95 8 TCMO 592 NB2 GLN 72 36,402 79,014 1,944 1.00 31.16 7 ÁTOMO 593 C GLN 72 34,530 74,305 2,441 1.00 29.60 6 ATCMO 594 O GLN 72 35,419 73,442 2,578 1.00 30.82 8 ATOMO 595 N THR 73 33,248 73,954 2,380 1.00 25.83 7 ATOMo 596 C? THR 73 32,861 72,549 2,426 1.00 26.62 6 ? TOMo 597 CB THR 73 32,278 72,135 3,792 1.00 26.64 6 ? VOLUME 598 OG1 THR 73 31,226 73,051 4,138 1.00 27.54 8 ? VOLUME 599 CG2 THR 73 33,313 72,124 4,897 1.00 28.16 6 ÁTOMO 600 C THR 73 31,824 72,223 1,371 1.00 26.31 6 ATOM 601 OR THR 73 31,210 73,110 0.776 1.00 28.00 8 ATOM 602 N SBR 74 31,685 70,927 1,074 1.00 28.62 7 ATOM 603 C? SER 74 30,592 70,605 0.112 1.00 29.44 6 ATOM 604 CB SER 74 31,020 69,470 -0,803 1.00 30.45 6 ATOMO 605 OG SER 74 31.407 68.399 0.034 1.00 41.05 8 ? TOMo 606 C SER 74 29,366 70,395 0.992 1.00 26.65 6 ? TCMo 607 OR SER 74 29.461 70.438 2.228 1.0025.57 8 ATCMo 608 N LEO 75 28,178 70,281 0.442 1.00 29.47 7 ATOMO 609 C? LEO 75 26,915 70,163 1,158 1.0025.10 6 ÁTOMO 610 CB LEO 75 25,749 70,141 0.159 1.00 27.83 6 TCMO 611 CG LEO 75 24,348 70,136 0.777 1.0027.24 6 TCMO 612 CDl LEU 75 23,888 71,554 1,094 1.00 24.13 6 ? TCMO 613 CD2 LEU 75 23,349 69,420 -0,133 1.0024.42 6 ATOM 614 C LEU 75 26,884 68,973 2,087 1.00 25.84 6 TOMO 615 OR LEU 75 27,300 67,858 1,711 1.00 22.45 8 ATOM 616 N SER 76 26,376 69,158 3,315 1.00 23.31 7 I TAKE 617 C? SER 76 26,357 68,009 4,219 1.00 25.20 6 ATCMo 618 CB SER 76 25,916 68,402 5,644 1.00 26.64 6 ATOMo 619 OG SER 76 24,514 68,663 5,624 1,0029.43 8 ? TOMo 620 C SER • 76 25,346 66,955 3,738 1.0023.00 6 ? TOMO 621 0 SER 76 24,431 67,304 3,006 1.0021.02 8 ATCMO 622 N ASP 77 25,506 65,739 4,241 1.00 22.24 7 ATOM 623 C? ? SP 77 24,493 64,712 4,094 1.00 26.03 6 ATOM 624 CB ASP 77 24,907 63,362 4,683 1.00 20.27 6 ATCMO 625 CG ASP 77"" 25,914 62,676 3,758 1.00 25.73 6 ? TOMO 626 OD1 ASP 77 25,821 62,893 2,541 1.00 23.79 8 TCMO 627 OD2? SP 77 26,769 61,954 4,292 1.0028.92 8 ? TOMO 628 C ASP 77 23.267 65.191 4.929 1.00 25.85 6 ATOM 629 0 ASP 77 23,423 65,904 S. 914 1.00 24.00 8 ÁTOMO 630 N PRO 78 22,098 64.7S8 4,492 1.0027.37 7 ATOM 631 CD PRO 78 21,917 63,917 3.27S 1.00 26.84 6 ATOM 632 C? PRO 78 20,849 65,130 5,098 1.00 25.42 6 ATOMO 633 CB PRO 78 19,795 64,592 4,141 1.00 28.38 6 ATOKO 634 CG PRO 78 20,453 63,586 3,272 1.00 27.24 6 ATCMO 635 C PRO 78 20,575 64,556 6,479 1.00 25.28 6 ATCMO 636 O PRO 78 21,006 63,459 6,820 1.00 23.68 8 ATOMO 637 N VAL 79 19,833 65,331 7,265 1.00 20.24 7 ATOM 638 C? VAL 79 19,287 64,861 8,535 1.00 18. B6 6 ATOM 639 CB VAL 79 19,850 65,516 9,783 1.00 19.49 6 ÁTOMO 640 CGl VAL 79 19,042 65,239 11,046 1.00 22.25 6 ATOM 641 CG2 VAL 79 21,275 64,959 10,036 1.00 21.95 6 ÁTOMO 642 C VAL 79 17,777 65,046 8,399 1.00 19.76 6 ATOMO 643 O VAL 79 17,283 66,130 8.076 1.00 22.34 8 ÁTOMO 644 N HXS 80 17,024 63,955 8,566 1.00 19.43 7 ATOM 645 C? HXS 80 15,584 63,976 8,387 1.00 18.11 6 ÁTOMO 646 CB HXS 80 15,130 62,621 7,784 1.00 26.87 6 ATOMO 647 CG HXS 80 13,712 62,754 7,293 1.00 31.93 6 ATOM 648 CD2 HIS 80 13,194 62,983 6,069 1.00 27.05 6 ATOMO 649 HD1 HXS 80 12,637 62,697 8,176 1.00 34.35 7 ATOMO 650 CEI B S 80 11,525 62,847 7,480 1.00 34.80 6 ATOM 651 NE2 HXS 80 11,831 63,016 6,210 1.00 34.81 7 ATOMO 652 C HXS 80 14,865 64,187 9.718 1.00 23.08 6 ATOM 653 OR HXS B0 15,096 63,496 10,709 1.00 23.37 8 ÁTOMO 654 H LEU 81 13,953 65,138 9,747 1.00 19.18 7 ATCMO 655 C? LEU 81 13,244 65,478 10,957 1.00 21.58 6 ÁTOMO 656 CB LEO 81 13,567 66,937 11,331 1.00 18.20 6 ATCMO 657 CG LEO 81 12,847 67,381 12,605 1.00 18.21 6 ATOM 658 CDl LEO Bl 13,496 66,708 13,812 1.00 19.39 6 ATOM 659 CD2 LEO 81 12,865 68,912 12,696 1.00 14.76 6 ATOM 660 C LEO Bl 11,747 65,255 10,783 1.00 19.36 6 ATOM 661 OR LEO 81 11,225 65,543 9,720 1.00 20.96 ß ATOM 662 N THR 82 11,100 64,689 11,793 1.00 19.61 7 ATCMO 663 C? THR 82 9.642 64.463 11.6B0 1.00 18.45 6 ATOM 664 CB THR 82 9,316 62,950 11,683 1.00 25.98 6 ÁTOMO 665 OG1 THR 82 9.907 62.351 10.527 1.00 18.89 8 ATOM 666 CG2 THR 82 7,795 62,775 11,666 1.00 24.98 6 ATOM 667 C THR 82 8,971 65,100 12,891 1.00 16.02 6 ? TOMO 668 OR THR 82 9.248 64.735 14.035 1.00 14.79 8 ATOM 669 N VAL 83 8.075 66,045 12,647 1.00 16.23 7 ATOM 670 C? VAL 83 7,451 66,758 13,953 1.00 16.97 6 ATOM 671 CB VAL 83 7,559 68,282 13,530 1.00 12.81 6 ATOM 672 CGl VAL 83 7,051 68,972 14,799 1.00 15.92 6 ATOM 673 CG2 VAL 83 8,986 68,760 13,246 1.00 11.78 6 ATOM 674 C VAL 83 6,020 66,264 13,892 1.00 19.97 6 ATOM 675 OR VAL 83 5,261 66,329 12,918 1.00 18.57 8 ATOM 676 N LEU 84 5,686 65,756 15,075 1.00 16.89 7 ATCMO 677 CA LEU 84 4,372 65,188 15,312 1.00 19.89 6 ATOM 678 CB LEU 84 4,621 63,786 15,890 1.00 18.15 6 TCMO 679 CG LÍO 84 5,491 62,863 15,021 1,0023.40 6 ATOM 680 CDl LEU 84 5,927 61,690 15,868 1.00 25.20 6 ATOMO 681 CD2 LEU 84 4,752 62,396 13,958 1.00 20.46 6 ? TOMO 682 C LEU 84 3,487 66,016 16,228 1.00 22.29 6 TCMO 683 O LEU 84 3,928 66,891 16,975 1.00 23.90 8 ÁTOMO 684 N PHE 85 2,189 65,750 16,218 1.00 21.03 7 ATOM 685 C? PHE 85 1,254 66,444 17,111 1.00 22.92 6 ÁTOMO 686 CB PHE 85 0.399 67.431 16.333 1.00 21.76 6 ATOMO 687 CG PHE 85 -0,440 68,350 17,184 1.00 27.90 6 ÁTOMO 688 CDl PHE 85 0.103 69,013 18,266 1.00 28.30 6 ÁTOMO 689 CD2 PHE 85 -1.787 68,533 16,899 1.00 26.61 6 ÁTOMO 690 CEI PHE 85 -0,664 69,874 19,040 1.00 29.65 6 ÁTOMO 691 CE2 PHE '85 -2,559 69,386 17,668 1.00 25.61 6 ÁTOMO 692 CZ PHE 85 -1,996 70,047 18,733 1.00 28.75 6 ATOMO 693 C PHE 85 0.455 65.399 17.852 1.00 21.99 6 ATCMO 694 OR PHE 85 -0,642 65,000 17,426 1.00 22.11 8 ATOMO 695 N GLU 86 1,023 64,883 18,938 1.00 20.76 7 ATOM 696 C? GLU 86 * 0.421 63.762 19.702 1.00 18.04 6 ATOMO 697 CB GLO 86 1,142 62,463 19,210 1.00 20.84 6 ? TOMO 698 CG GLO 86 0.711 61.815 17.911 1.00 25.05 6 ? TOMO 699 CD GLO 86 1,647 61,048 17,019 1.00 41.96 6 TCMO 700 OE1 GLO 86 2.719 60.507 17.416 1.00 46.14 8 ? TCMO 701 OE2 GLU 86 1.429 60.893 15.765 1.00 40.77 8 ATOMO 702 C GLO 86 0.694 64.026 21.176 1.00 18.46 6 ATOMO 703 OR GLU 86 1,588 64,839 21,462 1.00 16.67 8 ÁTOMO 704 N TRP 87 0.031 63.408 22.156 1.00 12.60 7 ATOM 705 C? TRP 87 0.328 63.631 23.553 1.00 13.01 6 ÁTOMO 706 CB TRP 87 -0.808 63,056 24,411 1.00 18.40 6 ATOMO 707 CG TRP 87 -1.922 64.023 24.687 1.00 21.87 6 ATCMO 708 CD2 TRP B7 -1,812 65,176 25,521 1.00 21.14 6 ATCMO 709 CB2 TRP 87 -3,065 65,805 25,526 1.00 24.31 6 ATCMO 710 CB3 TRP 87 -0,767 65,738 26,255 1.00 24.84 6 ? TOMO 711 CDl TRP 87 -3,216 63,985 24,231 1.00 22.52 6 ? TCMO 712 NEI TRP 87 -3.907 65,069 24,734 1.00 22.53 7 TCMO 713 CZ2 TRP 87 -3,303 66,966 26,266 1.00 29.91 6 ATOM 714 CZ3 TRP 87 -0,998 66,890 26.987 1.00 29.83 6 ATOM "715 CH2 TRP 87 -2,254 67,499 26,970 1.00 29.09 6 ATOM 716 C TRP 87 1,599 62,967 24,068 1.00 15.44 6 ATOM 717 OR TRP 87 2,178 63,499 25,018 1.00 16.68 8 ATOM 718 N LEU 88 2,036 61,873 23,447 1.00 14.44 7 ATOM 719 C? LEO 88 3,153 61,051 23,861 1.00 20.07 6 ATOMO 720 CB LEU 88 2,596 59,942 24,783 1.00 17.49 6 ATCMO 721 CG LEU 88 3,608 59,303 25,769 1.00 16.97 6 ? TOMO 722 CDl LEO 88 4,062 60,299 26,830 1.00 17.38 6 TCMO 723 CD2 LEO 88 2,987 58,053 26,370 1.00 13.93 6 ATCMO 724 C LEU 88 3,889 60,399 22,677 1.00 20.44 6 ? TOMO 72S 0 LEO 88 3,255 S9.8S7 21,752 1.00 19.65 8 TCMO 726 N VAL 89 5.218 60.517 22.620 1.00 18.11 7 ATOMO 727 C? VAL 89 5,998 59,926 21,542 1.00 14.66 6 ATOM 728 CBA VAL 89 6,686 61,029 20,699 0.50 7.52 6 ATOM 729 CBB VAL 89 6,677 60,941 20,604 0.50 13.86 6 ATOM 730 CGl VAL 89 7,573 61,890 21,597 0.50 7.13 6 ATOM 731 CGl VAL 89 5,696 61,409 19,543 O.SO 13.87 6 ATOM 732 CG2 VAL 89 7,501 60,486 19,531 0.50 3.91 6 ATOM 733 CG2 VAL 89 7.264 62.090 21.402 0.50 18.65 6 ATOM 734 C VAL 89 7,109 59,032 22,107 1.00 15.71 6 ATCMo 735 0 VAL 89 7,689 59,262 23,179 1.00 14.52 8 ATCMo 736 H LEO 90 7.379 57.958 21.386 1.00 15.13 7 ATOM 737 C? LEU 90 8,520 57,133 21,703 1.00 13.72 6 ATOM 738 CB LEU 90 8,287 55,625 21,488 1.00 17.87 6 ATCMo 739 CG LEU 90 9.650 54.978 21.873 1.00 26.07 6 ATCMO 740 CDl LEU 90 9,479 54,066 23,036 1.00 30.57 6 ATCMO 741 CD2 LEU 90 10,373 S4,463 20,662 1.00 25.07 6 ATCMO 742 C LEU 90 9,657 57,674 20,803 1.00 17.58 6 ATOM 743 0 LEU 90 9,611 57,517 19,576 1.00 14.46 8 ATOMo 744 N GLN 91 10,673 58.29B 21,412 1.00 15.83 7 ATOM 745 C? GLN 91 11,745 58,908 20,623 1.00 17.70 6 ATOM 746 CB GLN 91 12,252 60,238 21,264 1.00 15.03 6 ATOM 747 CG GLN 91 11,105 61,231 21,472 1.00 12.81 6 ATCMO 748 CD GLN 91 11,564 62,636 21,868 1.00 15.79 6 ATCMo 749 OE1 GLN 91 12,023 62,823 22,988 1.00 14.61 ATCMo 750 NE2 GLN 91 11,409 63,610 20,984 1.00 16.27 ? TCMO 751 C GLN 91 12,971 58,042 20,375 1.00 17.71 ÁTOMO 752 0 GLN 91 13,370 57,296 21,268 1.00 19.37 ? TOMO 753 N THR 92 13.607 58.207 19.218 1.00 14.05 ATOM 754 C? THR 92 14,853 57.48B 18,934 1.00 19.01 6 ATOM 755 CB THR 92 14,562 56,225 18,089 1.00 16.40 6 ? TOMO 756 OG1 THR - 92 15.769 55.485 17.905 1.00 18.39 8 ATOM 757 CG2 THR 92 13,943 56,499 16,720 1.00 10.45 6 ATOMO 758 C THR 92 15,803 58,416 18,173 1.00 18.96 6 ATOM 759 OR THR 92 15,339 59,272 17.409 1.00 21.88 8 ? TCMO 760 N PRO 93 17,095 58,153 18,251 1.00 18.78 7 ? TCMo 761 CD PRO 93 17,747 57,169 19,135 1.00 22.16 6 ATOM 762 C? PRO- 93 18,090 58,929 17,530 1.00 24.37 6 ATOM 763 CB PRO 93 19,352 58,803 18,371 1.00 24.99 6 ? TOMo 764 CG PRO 93 19,162 57,609 19,235 1.00 26.05 6 ? TCMO 765 C PRO 93 18,285 58,362 16,138 1.00 27.02 6 ATOM 766 OR PRO 93 18,852 59,019 15,248 1.00 27.04 8 ATOM 767 N HXS 94 - 17,978 57,069 15,960 1.00 24.22 7 ATOM 768 C? HXS 94 18,114 56,421 14,651 1.00 2S.72 6 ATCMO 769 CB H1S 94 19,444 55,690 14,439 1.00 20.09 6 ATOM 770 CG HXS 94 20,639 56,587 14,595 1.00 21.67 6 ATOM 771 CD2 HXS 94 21,161 57,530 13,998 1.00 23.30 6 ATCMO 772 ND1 HXS 94 21,380 56,595 15,754 1.00 27.49 7 ATOM 773 CB1 HIS 94 22,338 57,501 15,657 1.00 26.54 6 ATOM 774 NE2 HXS 94 22,211 58,078 14,482 1.00 32.10 7 ATCMO 775 C HXS 94 17,038 55,350 14,453 1.0024.49 6 ATCMO 776 OR HXS 94 16,481 54,838 15,429 1.00 24.01 8 ATCMO 777 N LEO 95 16,847 54,929 13,214 1.00 21.96 7 ATOM 778 C? LEU 95 15,900 53,847 12,960 1.00 26.06 6 TOMO 779 CB LEU 95 15,014 54,118 11,741 1.0026.66 6 ATOM 780 CG LEU 95 13,994 55,248 11,899 1.00 35.19 6 ATOM 781 CDl LEU 95 13,449 55,601 10,525 1.00 25.66 6 ATOM 782 CD2 LEU 95 12,895 54,908 12,900 1.00 24.13 6 ATOM 783 C LEU 95 16,626 52,525 12,720 1.00 26.30 6 ? TOMO 784 OR LEU 95 15,999 51,464 12,790 1.00 26.83 8 ATCMO 785 H GLU 96 17,884 52,601 12,326 1,0025.44 7 TCMO 786 C? GLO 96 18,688 51,413 12,087 1.0028.55 6 TCMO 787 CB GLO 96 19,062 51,144 10,634 1.00 28.97 6 ? TOMO 788 CG GLO 96 17,977 51,334 9,605 1.00 34.46 6 ATOM 789 CD GLO 96 18,414 51,109 8,168 1.00 42.07 6 ATOM 790 OE1 GLU 96 19,560 50,709 7,882 1.00 41.53 8 ÁTOMO 791 OE2 GLO 96 17,592 51,343 7,256 1,0045.31 8 ATOMO 792 C GLO 96 19,995 51,575 12,885 1.00 32.22 6 ATOMO 793 OR GLO 96 20,525 52,686 13,015 1.00 31.68 8 ATCMO 794 H PHB 97 20,396 50,487 13,538 1.00 29.38 7 ATCMO 795 C? PHB 97 21,622 50,447 14,315 1.00 31.45 6 ? TOMO 796 CB PHE 97 21,388 50,351 15,832 1.00 29.88 6 ATOM 797 CG PHE 97 20,640 51,497 16,464 1.00 28.91 6 ATOM 798 CDl PHE 97 19,256 51,580 16,386 1.00 19.88 6 ATOMO 799 CD2 PHE 97 21.311 52.503 17.131 1.00 27.06 6 ÁTOMO 800 CEI PHB 97 18,557 52,624 16,971 1.00 23.29 6 ATOM 801 CB2 PHB 97 20,622 53,545 17,719 1.00 23.27 6 ÁTOMO 802 CZ PHB 97 19,244 53,626 17,636 1.0025.87 6 ATOM 803 C PHB 97 22,455 49,233 13,861 1.00 31.11 6 ATOMO 804 OR PHB 97 22,007 48,334 13,164 1.00 32.31 8 ATOM 805 H GLN 98 23,726 49,213 14,219 1.00 34.14 7 ATOMO 806 C? GLN 98 24,636 48,131 13,939 1.00 33.31 6 ÁTOMO 807 CB GLN 98 26,042 48,629 13,635 1.00 38.15 6 ATOMO 808 CG GLN 98 26,207 49,422 12,356 1.00 45.65 6 ATOMO 809 CD GLN 98 25,763 48,712 11,097 1.00 49.99 6 ATOM 810 OBI GLN 98 26,455 47,828 10,589 1,0052.58 8 ATOM 811 NE2 GLN 98 24,603 49,088 10,563 1,0053.06 7 ATOMO 812 C GLN 98 24,662 47,218 15,172 1.00 31.48 6 ATON 813 O GLN 98 24,459 47,664 16,300 1.00 27.9B 8 ATOMUS 814 N GLU 99 24,990 4,195,114,920 1.00 30.75 7 ATOMO 815 C? GLO 99 25,112 44,978 16,009 1.0032.56 6 ATOM 816 CB GLO 99 25,598 43,653 15,420 1,0036.89 6 ATOM 817 CG GLO 99 25,204 42,392 16,141 1.00 44.86 6 ? TOMO 818 CD GLO 99 24,771 41,288 15,184 1.00 48.45 6 ATOM 819 OBI GLO 99 23,802 40,573 15,521 1.00 53.90 8 ATCMO 820 OE2 GLO 99 25,400 41,148 14,118 1.00 50.56 8 ATOMUM 821 C GLU 99 26,130 45,551 16,998 1.00 31.14 6 ATCMO 822 OR GLO 99 27,136 46,048 16,475 1.00 31.94 8 ATOM 823 H GLY 100 25,919 45,571 18,275 1.00 32.19 7 TOMO 824 C? GLY 100 26,874 46,123 19,217 1.00 31.10 6 ATOM 825 c GLY 100 26,643 47,541 19,696 1.00 31.51 6 ATOM 826 or GLY 100 • 27,082 47,931 20,789 1.00 30.30 8 ATOM 827 H GLO 101 25,948 48,369 18,921 1,0034.41 7 ATOMO B28 C? GLO 101 25,675 49,746 19,297 1.00 34.07 6 ATOM 829 CB GLO 101 24,949 50,452 18,148 1,0037.86 6 ATOM 830 CG GLU 101 25,777 50,676 16,889 1.00 48.38 6 ATOMO 831 CD GLU 101 24,984 51,520 15,895 1.0049.17 6 ATCMO 832 OE1 GLU 101 24,251 52,408 16,385 1,0058.51 8 ATOMO 833 OE2 GLU '101 25,046 51,333 14,669 1.00 48.56 8 ATOMO 834 C GLO 101 24,783 49,848 20,537 1,0033.06 6 ATOM 835 OR GLU 101 24,086 48,888 20,886 1.0027.70 8 ATOMO 836 N THR 102 24.747 51.057 21.107 1.0031.92 7 ATOMO 837 C? THR 102 23,870 51,303 22,248 1,0032.85 6 ATOM B38 CB THR 102 * 24,508 52,161 23,341 1,0035.75 6 ATOMO 839 OG1 THR 102 25,546 51,438 24,021 1.00 36.79 8 ? TCMO 840 CG2 THR 102 23,532 52,577 24,441 1.00 35.82 6 ATCMO 841 C THR 102 22,582 51,944 21,721 1,0032.54 6 ATOMO 842 OR THR 102 22,650 52,932 20,991 1,0030.03 8 ATOM 843 N XLE 103 21,431 51,329 22,014 1,0028.53 7 ATOM 844 C? ILE 103 20,162 51,939 21,590 1.0025.40 6 ATOM 845 CB XLE 103 19,131 50,873 21,163 1.00 26.58 6 ATOM 846 CG2 XLB 103 17,776 51,496 20,828 1.00 25.47 6 ATOM 847 CGl I LE 103 19,669 50,080 19,971 1.00 21.79 6 ATOMO 848 CDl XLB 103 18.739 49.003 19.438 1.00 19.73 6 ATOMUS 849 c XLB 103 19,624 52,753 22,767 1.00 25.27 6 ATOM 850 or XLE 103 19,439 52,181 23,853 1.00 23.06 8 ATCMO 851 N MET 104 19,443 54,059 22,591 1.00 24.90 7 ATOMO 852 CA MET 104 18,893 54,913 23,639 1.00 21.55 6 ATOM 853 CB MET 104 19.797 56.097 23.963 1.00 33.48 6 ATOM 854 CG MBT 104 20,810 55,826 25,101 1.00 29.68 6 ÁTOMO BSS SD MET 104 21,940 57,256 25,242 1.00 46.02 16 ATOM 856 CB MET 104 22,667 57,216 23,589 1.00 31.10 6 ATON 857 C MET 104 17,528 55,456 23,215 1.00 21.27 6 ATOM 858 OR MBT 104 17,374 55,991 22.106 1.00 22.96 8 ATOMO 859 H LEU 105 16,503 55,242 24,027 1.00 20.55 7 ATOMO 860 C? LEU 105 15,134 55,668 23,728 1.00 22.33 6 ATOM 861 CB LEU 105 14,192 54,450 23,550 1.00 14.66 6 ATOM 862 CG LEU 105 14,713 53,389 22,561 1.00 18.89 6 ATOMO 863 CDl LEU IOS 13,796 52,178 22,489 1.00 19.44 6 ? TOMO 864 CD2 LEU IOS 14,882 54,056 21,186 1.00 18.70 6 ATOM 865 C LEU IOS 14,567 56,559 24,817 1.00 20.15 6 ATOMO 866 OR LEU 105 15,050 56,506 25,950 1.00 18.39 8 ATCMO 867 H ARG 106 13,523 57,324 24,483 1.00 18.25 7 ATCMO 868 C? ? RG 106 12,912 58,174 25,516 1.00 17.87 6 ? TOMO 869 CB ARG 106 13.607 59.553 25.508 1.00 14.96 6 ? TOMO 870 CG? RG 106 12,834 60,597 26,290 1.00 16.79 6 ATOMO 871 CD? RG 106 13,699 61,788 26,757 1.00 19.51 6 ATOMO 872 NE? RG 106 13,334 62,927 26,025 1.00 23.46 7 ATOM 873 CZ? RG 106 12,990 64,174 26,065 1.00 24.43 6 ATCMO 874 NH1 ARG 106 12.923 64.892 27,176 1.00 25.93 7 ATOM 875 NH2 ARG 106 12,697 64,795 24,936 1.00 18.72 7 ATOM 876 C ARG 106 11,422 58,321 25,304 1.00 18.56 6 ATOM 877 O? RG 106 10,998 58,479 24,142 1.00 20.43 8 ATOM 878 H CYS 107 10,642 58,246 26,378 1.00 15.23 7 ATCMO 879 CA CYS 107 9,189 58,419 26,292 1.00 14.89 6 ATOMO 880 C CYS 107 8,934 59,891 26,583 1.00 15.28 6 ATOM 881 OR CYS 107 9,296 60,294 27,690 1.00 15.96 8 ATCMO 882 CB CYS 107 8,438 57,565 27,322 1.00 14.55 6 ATOMO 883 SG CYS 107 6,691 57,368 27,013 1.00 13.91 16 ATOMUM 884 H HXS 108 8,446 60,653 25,604 1.00 15.07 7 ATOM 885 CA HXS 108 8,334 62,103 25,811 1.00 11.91 6 ATOM 886 CB HXS 108 9.190 62.757 24.708 1.00 16.03 6 TCMO 887 CG HXS 108 9.119 64.240 24.572 1.00 16.94 6 ATCMO 888 CD2 HXS 108 9,068 65,023 23,462 1.00 17.64 6 ? TOMO 889 ND1 HXS 108 9.103 65.108 25.657 1.00 17.41 7 ? TOMO 890 CEI HXS 108 9,034 66,350 25.21S 1.00 17.37 6 TCMO 891 NE2 HXS 108 9,021 66,333 23,895 1.00 20.00 7 ATOM 892 C HXS 108 6,925 62,647 25,733 1.00 11.83 6 ATCMO 893 OR HXS 108 6,224 62,361 24,762 1.00 12.54 8 ATOMO 894 N SER 109 6.515 63.502 26.654 1.00 13.70 7 ATOMO 895 C? SER 109 5,160 64,091 26.605 1.00 11.70 6 ATOMO 896 CB SER 109 4,583 64,134 28,041 1.00 13.47 6 ATONO 897 OG SER 109 S.609 64,845 28,800 1.00 16.16 8 ATOM 898 C SER 109 5,190 65,459 25,970 1.00 14.21 6 ATCMO 899 OR SER 109 6,180 66,232 25,903 1.00 14.63 8 ATOMO 900 N TRP 110 4,047 65,804 25,381 1.00 16.58 7 TCMO 901 C? TRP 110 3.860 67.102 24.708 1.00 16.04 6 ATCMO 902 CB TRP 110 2,480 67,158 24,072 1.00 18.73 6 ATOMO 903 CG TRP 110 2,187 68,425 23.306 1.00 21.24 6 ATOM 904 CD2 TRP * 110 1,135 69,339 23,589 1.00 20.70 6 ATOMO 905 CE2 TRP 110 1,193 70,361 22,616 1.00 25.92 6 ATOMO 906 CE3 TRP 110 0.112 69.372 24.549 1.00 24.16 6 ATOMO 907 CDl TRP 110 2,827 68,908 22,214 1.00 22.22 6 ATCMO 908 NEI TRP 110 2,233 70,069 21,765 1.00 22.81 7 TCMO 909 CZ2 TRP 110"0.276 71.404 22.568 1.00 24.18 6 ATOM 910 CZ3 TRP 110 -0,781 70,434 24.509 1.00 30.15 6 ATOMO 911 CH2 TRP 110 -0,698 71,433 23,526 1.00 31.04 6 ATOMO 912 C TRP 110 4,082 68,245 25,681 1.00 14.44 6 ATOM 913 OR TRP 110 3,665 68,219 26,852 1.00 17.08 8 ATOMO 914 N LYS 111 4,928 69,199 25,294 1.00 19.42 7 ATOMO 915 C? LYS 111 5,347 70,325 26,115 1.00 19.40 6? TCMO 916 CB LYS 111 4,131 71,241 26,418 1,0021.00 6? TCMO 917 CG LYS 111 3,583 71,904 25,155 1.00 24.94 6 ATOM 918 CD LYS 111 2,124 72,287 25,337 1.00 34.17 6 ATOMO 919 CE LYS 111 1,952 73,719 25.781 1.00 37.49 6 ATCMO 920 NZ LYS 111 2,783 74,668 24.987 1.00 52.66 7? VOLUME 921 C LYS 111 5,940 69,921 6,450 1,00 20.33 6 ATOMO 922 OR LYS 111 5,905 70,694 28,419 1.00 16.80 8 ATOMO 923 N ASP 112 6,444 68,695 27.602 1.00 18.28 7 TCMO 924 C? ? SP 112 6,989 68,233 28,861 1.00 20.31 6 ATOM 925 CB? SP 112 8,242 69,088 29,191 1.00 24.52 6 ATOMO 926 CG? SP 112 9,306 68,737 28,155 1.00 31.39 6 ATOM 927 OD1? SP 112 9,700 67,545 28,119 1.00 39.68 8 ATCMO 928 OD2? SP 112 9.719 69.588 27.360 1.00 35.00 8 ATOMO 929 C? SP 112 6.015 68.203 30.018 1.00 23.40 6 ATCMO 930 O? SP 112 6.426 68.475 31.148 1.00 23.42 8 ATOMO 931 N LYS 113 4.731 67.889 29.785 1.00 23.10 7 ATONO 932 C? LYS 113 3.792 67.721 30.B91 1.00 22.35 6 ATONO 933 CB LYS 113 2.352 67.432 30.437 1.00 21.68 6 ATOMO 934 CG LYS 113 1.758 68.611 29.659 1.00 27.09 6 ATCMO 935 CD LYS 113 0.232 68.574 29.608 1.00 28.34 6 ATOM 936 CE LYS 113 -0.269 69,780 28,816 1.00 32.92 6? TCMO 937 NZ LYS 113 -0.196 71,075 29,554 1.00 33.55 7 ATCMO 938 C LYS 113 4,352 66,597 31,748 1.00 19.86 6 ATOM 939 O LYS 113 4,890 65,603 31,264 1.00 21.45 8 ATOM 940 N PRO 114 4,288 66,761 33,066 1.00 20.08 7? VOLUME 941 CD PRO 114 3,701 67,928 33,768 1.00 16.95 6 ATOMS 942 CA PRO 114 4,923 65,801 33.9S7 1.00 17.00 6 ATOM 943 CB PRO 114 4.548 66.292 35.342 1.00 19.22 6 ATOMO 944 CG PRO 114 4.169 67.733 35.176 1.00 21.34 6 ATOMO 945 C PRO 114 4.451 64.405 33.636 1.00 16.83 6 ATOMO 946 OR PRO 114 3.237 64.125 33.512 1.00 16.01 8 ATOMO 947 N LEU 115 5.414 63.483 33.560 1.00 15.95 7 ATOM 948 C? LEU 115 5.081 62.104 33.215 1.00 17.10 6 ATOMO 949 CB LEU 115 5,769 61,879 31,856 1.00 16.83 6 ATCMO 950 CG LEU 115 5,790 60,498 31,231 1.00 21.64 6 ATOMO 951 CDl LEU 115 4,399 60,132 30,733 1.00 19.24 6 ATOMO 952 CD2 LEO 115 6,777 60,486 30,043 1.00 19.80 6 ATOMO 953 C LEO 11S 5,606 61,116 34,226 1.00 21.13 6 ATOMO 954 OR LEU 115 6,788 61,200 34,569 1.00 18.84 8 ATOMO 955 N VAL 116 4,839 60,105 34,630 1.00 20.51 7 ATCMO 956 C? VAL 116 5.314 59.073 35.545 1.00 20.40 6 ATOMO 957 CB VAL 116 4.787 59.277 36.971 1.00 18.72 6 ATCMO 958 CGl VAL 116 5.313 60.547 37.644 1.00 22.67 6 ATCMO 959 CG2 VAL 116 3.257 59.328 36.998 1.00 22.12 6? TOMO 960 C VAL 116 4.807 57.703 35.073 1.00 19.73 6 ATOM 961 OR VAL 116 3.910 57.682 34.223 1.00 20.76 8 ATCMO 962 N LYS 117 5.268 56.61S 35.693 1.00 17.34 7 ATOM 963 C? LYS 117 4,760 55,290 35,381 1.00 20.33 6 ATOM 964 CB LYS 117 3,271 55,182 35,802 1,0021,774 6 ATOM 965 CG LYS 117 3,115 54,927 37,301 1,00 24,43 6 ATOM 966 CD LYS 117 1,793 55,445 37,832 1.00 32.69 6 ATOM 967 CE LYS 117 0.798 54,314 38,056 1.00 40.27 6 ATOMO 968 NZ LYS 117 -0.568 S4.865 38.266 1.00 44.06 7 ATCMO 969 C LYS 117 4,956 54,936 33,914 1.00 18.58 6 ATOMO 970 OR LYS 117 4,026 54,535 33,234 1.00 24.35 8 ATOMO 971 N VAL 118 6,181 55,063 33,417 1.00 20.45 7 ATOM 972 C? VAL 118 6.542 54.798 32.039 1.00 19.15 6 ATOMO 973 CB VAL 118 7.756 55.643 31.607 1.00 12.17 6 ATOMO 974 CGl VAL 118 8.199 55.396 30.176 1.00 18.94 6 ATOMS 975 CG2 VAL 118 7.408 57.129 31.794 1.00 16.75 6 ATOMS 976 C VAL '118 6.868 53.330 31.797 1.00 18.58 6 ATOM 977 OR VAL 118 7.606 52.717 32.564 1.00 17.16 8 ATOM 978 N THR 119 6.307 52.803 30.711 1.00 15.94 7 ATOMO 979 C? THR 119 6.527 51.425 30.335 1.00 16.50 6 ATCMO 980 CB THR 119 5.291 50.523 30.367 1.00 19.59 6 ATCMO 981 OG1 THR 119 - 4.770 50.410 31.693 1.00 23.11 8 ATCMO 982 CG2 THR 119 5.695 49.123 29.872 1.00 24.83 6 ATOMO 983 C THR 119 7,053 51,424 28,881 1.00 17.81 6 ATOMO 984 OR THR 119 6.436 52.130 28.095 1.00 14.36 8 ATOMO 985 N PHE 120 8.121 SO.679 28.643 1.00 14.86 7 ATOMO 986 C? PHB 120 8,616 50,608 27,259 1.00 13.85 6 ATOM 987 CB PHE 120 10,122 50,797 27,240 1.00 15.51 6 ATOM 988 CG PHE 120 10,553 52,230 27,463 1.00 13.38 6 ATCMO 989 CDl PHB 120 10.748 52.701 28.750 1.00 20.15 6 ATOMO 990 CD2 PHE 120 10,792 53,051 26,381 1.00 20.08 6 TCMO 991 CEI PHE 120 11,186 54,002 28,953 1.00 17.14 6 ATOM 992 CE2 PHE 120 11,230 54,367 26,578 1.00 22.12 6 ATOM 993 CZ PHB 120 11,423 54,818 27,867 1.00 17.10 6 ATCMO 994 C PHE 120 8.279 49.216 26.721 1.00 17.13 6 ATOM 995 or PHE 120 8,640 48,221 27.407 1.00 14.78 8 ATCMO 996 N PHE 121 7,626 49,166 25,575 1.00 16.20 7 ATOMO 997 C? PHB 121 7,277 47,868 25,011 1.00 18.83 6 ATCMO 998 CB PHB 121 5.799 47.821 24.616 1.00 13.50 6 ATOM 999 CG PHE 121 4,768 48,052 25,656 1.00 18.60 6 ATOM 1000 CDL PHE 121 4,368 49,339 26,017 1.00 17.37 6 ATCMO 1001 CD2 PHE 121 4,208 46,961 26,334 1.00 18.44 6 ATOMO 1002 CEI PHE 121 3,409 49,524 27,006 1.00 19.78 6 ATOM 1003 CE2 PHE 121 3,260 47,173 27,313 1.00 22.69 6 ATOM 1004 CZ PHE 121 2,843 48,445 27,660 1.00 15.74 6 ATCMO 1005 C PHE 121 8,074 47,539 23,749 1.00 18.44 6 ATOM 1006 or PHE 121 8,351 48,454 22,987 1.00 15.63 8 ÁTOMO 1007 N GLN 122 8,333 46,253 23,480 1.00 19.35 7 ATOM 1008 C? GLN 122 8,959 45,880 22,203 1.00 19.90 6 ATOM 1009 CB GLN 122 10,396 45,379 22,317 1.00 16.32 6 ATONO 1010 CG GLN 122 10,784 44,583 21,065 1.00 18.39 6 ATOM 1011 CD GLN 122 12,050 43,764 21,247 1.00 21.98 6 ATOM 1012 OBI GLN 122 12,423 43,461 22,374 1.00 19.18 8 ATOMO 1013 NE2 GLN 122 12,700 43,396 20,153 1.00 24.51 7 ATOM 1014 C GLN 122 8,067 44,774 21,609 1.00 15.34 6 ATOM 1015 OR GLN 122 7,789 43,832 22,321 1.00 17.30 8 ATOMO 1016 N ASN 123 7.474 44.931 20.439 1.00 18.98 7 ATOMO 1017 C? ASN 123 6.542 43.975 19.859 1.00 22.95 6 ATOM 1018 CB ASN 123 7,241 42,708 19,332 1.00 19.57 6 TCMO 1019 CG? SN 123 8,228 43,130 18,244 1.00 26.31 6 ATOM 1020 OD1? SN 123 8.013 44.053 17.441 1.00 19.76 8 ATOMO 1021 ND2? SN 123 9,375 42,463 18,213 1.00 28.57 7 ATOM 1022 C ASN 123 5,397 43,643 20,803 1.00 21.02 6 ATOM 1023 OR ASN 123 4,911 42,525 20,918 1.00 19.19 8 ATOM 1024 N GLY 124 4,951 44,632 21,579 1.00 19.77 7 ATOMO 1025 C? GLY 124 3,852 44,516 22,495 1.00 16.41 6 ATOMO 1026 c GLY 124 4,159 43,885 23,844 1.00 14.85 6 TCMO 1027 or GLY 124 3,210 43,658 24,611 1.00 15.05 8 ATON 1028 N LYS 125 5,405 43,610 24,133 1.00 13.81 7 ATOM 1029 C? LYS 125 5,830 42,997 25,379 1.00 21.18 6 ATOM 1030 CB LYS 125 6,700 41,738 25,247 1.00 14.85 6 TCMO 1031 CG LYS 125 6,934 41,032 26,559 1.00 16.28 6 ? TOMO 1032 CO LYS 125 7,406 39,587 26,281 1.00 22.51 6 ? TOM ° 1033 CB LYS 125 7,925 38,989 27,587 1.00 30.62 6.

ATOM0 1034 NZ LYS 125 8,822 37,818 27,330 1.00 36.72 7 ATCM ° 1035 C LYS 125 6.725 44.014 26.121 1.00 18.20 6 ATOM 1036 OR LYS 125 7.648 44.525 25.509 1.00 19.98 8 ATONO 1037 N SBR 126 6,385 44,216 27,393 1.00 17.62 7 ATOMO 1038 C? SER 126 - 7,107 45,241 28,155 1.00 20.03 6 ATOM 1039 CB SER 126 6,355 45,459 29,485 1.00 23.22 6 ATOM 1040 OG SER 126 7,317 45,773 30,466 1.00 38.12 8 ATOM 1041 C SER 126 8,541 44,823 28,389 1.00 17.85 6 ATOMO 1042 OR SER 126 8,842 43,657 28,647 1.00 21.31 8 ATOMO 1043 N GLN 127 9,490 45,718 28,254 1.00 17.16 7 ATCMO 1044 C? GLN 127 10,898 45,515 28.408 1.00 17.45 6 ATOM 1045 CB GLN 127 11,723 46,073 27,225 1.00 20.82 6 TCMO 1046 CG GLN '127 11,352 45,419 25,897 1.00 18.56 6 TCMO 1047 CD GLN 127 11,497 43,912 25,927 1.00 24.44 6 ATOM 1048 OBI GLN 127 12,606 43,416 26,116 1.00 31.62 8 ATOM 1049 NE2 GLN 127 10,436 43,130 25.773 1.00 19.15 7 ATOM 1050 C GLN 127 11,386 46,251 29,661 1.00 20.94 6 ATOM 1051 OR GLN 127"12,439 45,929 30,179 1.00 18.25 8 ATCMO 1052 N LYS 128 10,643 47,285 30,032 1.00 21.18 7 ATCMO 1053 C? LYS 128 11,070 48,048 31,216 1.00 23.10 6 ATOM 1054 CB LYS 128 12,177 49,034 30,842 1.00 21.83 6 ATOMO 1055 CG LYS 128 12,683 49,882 32,013 1.00 24.67 6 ATOM 1056 CD LYS 128 13.739 50.905 31.589 1.00 18.23 6 ATOMO 1057 CB LYS 128 14,048 51,746 32,870 1.00 27.02 6 ATOM 1058 NZ LYS 128 15,081 52,794 32,574 1.0024.24 7 ? TOMO 1059 C LYS 128 9,884 48,844 31,754 1,0024.93 6 ? TOMO 1060 OR LYS 128 9.193 49.481 30.360 1.0020.79 8 ATOM 1061 N PHE 129 9.678 48.822 33.062 1.0021.39 7 TOMO 1062 C? PHE 129 8.708 49.695 33.695 1.0024.45 6 ATCMO 1063 CB PHE 129 7.610 48.926 34.458 1.0025.50 6 ATOM 1064 CG PHE 129 6,772 49,837 35,327 1,0025.51 6 TCMO 1065 CDl PHE 129 5.799 50,630 34.762 1.00 19.40 6 ? TOMO 1066 CD2 PHE 129 7.002 49.928 36.700 1.0029.98 6 TCMO 1067 CEI PHE 129 5,026 51,491 35,535 1.0025.00 6 ATOM 1068 CE2 PHE 129 6.249 SO.788 37.491 1.0028.84 6 ATOM 1069 CZ PHB 129 5,262 51,574 36,902 1.0032.29 6 ATOMO 1070 C PHE 129 9.4B0 50,577 34,687 1.0027.88 6 ATCMO 1071 OR PHE 129 10,388 50,049 35,359 1.0030.99 8 ATOM 1072 N SER 130 9.134 51.846 34.853 1.0026.67 7 ATOMO 1073 C? SER 130 9.779 52.641 35.917 1.0024.98 6 ATOM 1074 CB SER 130 11,025 53,344 35,422 1.0021.29 6 ATOMO 1075 OG SER 130 11,271 54,465 36,250 1,0025.72 8 ATOMO 1076 C SER 130 8.777 53.667 36.434 1.0024.39 6 ATOMO 1077 OR SER 130 8.123 54.285 35.576 1.0024.91 8 ATOM 1078 H HXS 131 8,668 53,889 37,730 1.0022.12 7 ATOM 1079 C? HXS 131 7.710 54.901 38.204 1.0023.65 6 ATOMO 1080 CB BXS 131 7,604 54,918 39,737 1.0028.35 6 ATOMO 1081 CG HXS 131 6.859 53.706 40.197 1.0023.57 6 ATOM 1082 CD2 HXS 131 7,307 52,509 40,642 1.00 18.55 6 TCMO 1083 ND1 HXS 131 5.478 53.666 40.170 1.0026.69 7 ATCMO 1084 CEI HXS 131 5,095 52,478 40,617 1.00 16.65 6 ATOM 1085 NB2 HXS 131 6,173 51,764 40,890 1,0023.94 7 ATOMO 1086 C HXS 131 8,108 56,314 37,814 1,0023.89 6 ATOMO 1087 OR HXS 131 7,261 57,205 37,712 1,0026.21 8 ATOM 1088 N LEO 132 9,426 56,548 37,689 1.0021.77 7 ATCMO 1089 C? LEU 132 9,886 57,900 37,480 1,0020.70 6 ATCMO 1090 CB LEU 132 10,630 58,361 38,760 1.0030.28 6 ATOMO 1091 CG LEU 132 10,022 58,084 40,148 1.0026.56 6 ATOM 1092 CDl LEU 132 11,073 58,316 41,229 1.0029.07 6 ATOM 1093 CD2 LEU 132 8,814 58,980 40,435 1.0024.99 6 ATOM 1094 C LEU 132 10,762 58,144 36,279 1.00 22.94 6 ATOM 1095 OR LEU 132 10,794 59,326 35,900 1.0022.01 8 ATOM 1096 N? SP 133 11,541 57,181 35,778 1,0021.75 7 ATOM 1097 C? ASP 133 12,469 57,401 34,679 1,0024.62 6 ATCMO 1098 CB? SP 133 13,560 56,327 34,854 1.0029.71 6 ATOMO 1099 CG? SP 133 14,734 56,321 33,915 1.0032.90 6 ATCMO 1100 OD1 ASP 133 14,837 57,254 33,083 1.0032.91 8 ATOMO 1101 OD2 ASP 133 15,597 55,394 34,000 1.0036.01 8 ATOM 1102 C? SP 133 11,843 57,230 33,296 1.0025.88 6 ATOM 1103 OR ASP 133 11,419 56,136 32,940 1.0024.36 B ATCMO 1104 N PRO 134 11.857 58.261 32.460 1.0024.65 7.

ATONO 1105 CD PRO 134 12,347 59,620 32,778 1.00 22.97 6 ATOM 1106 C? PRO 134 11,293 58.18S 31,112 1.0024.00 6 ATOM 1107 CB PRO 134 10,889 59,662 30,870 1.0024.02 6 ATCMO 1108 CG PRO 134 11.987 60.433 31.544 1.0023.04 6 ATOM 1109 C PRO 134 12,256 57,764 30,017 1.0022.11 6 ATOM 1110 OR PRO 134 11.970 57.930 28.824 1.0019.00 8 ÁTOMO illl N THR 135 13,420 57,212 30,350 1,0021.43 7 ATOMO 1112 C? THR 135 14,424 56,805 29.401 1.0024.98 6 ATCMO 1113 CB THR 135 15,748 57,584 29,593 1.0027.24 6 ATOM 1114 OG1 THR 135 16,331 57,065 30,796 1.0024.99 8 ATOM 1115 CG2 THR 135 15,461 59,069 29.706 1.0026.07 6 ? TOMO 1116 C THR 135 14,747 55,312 29,451 1,0023.58 6 ATOMO 1117 OR THR * 135 14,445 54,629 30,423 1.0026.14 8 ATOMO 1118 N PHE 136 15,267 54,790 28,347 1,0020.63 7 ATOMO 1119 C? PHE 136 15,549 53,391 28,150 1.0020.10 6 ATOMO 1120 CB PHE 136 14,343 52,706 27,523 1.0025.47 6 ATOMO 1121 CG PHE 136 14.408 51.250 27.170 1.0025.61 6 ATOM 1122 CDl PHE 136 * 14,528 50,270 28.121 1.0027.00 6 ATOMO 1123 CD2 PHE 136 14,332 50,847 25,841 1,0027.45 6 ATCMO 1124 CB1 PHE 136 14,571 48,929 27.787 1.00 32.62 6 ATOMO 1125 CB2 PHE 136 14,385 49,516 25,490 1.00 28.46 6 ATOM 1126 CZ PHE 136 14,493 48,549 26,463 1,0030.41 6 ATOM 1127 C PHE 136 16,796 53,197 27,297 1.0024.00 6 ATOMO 1128 OR PHE 136 16.952 53.801 26.230 1.0024.50 8 ATOMO 1129 N SBR 137 17,665 52,294 27,730 1.00 21.97 7 ATOMO 1130 CA SBR 137 18,914 52,010 27.OF 1.0026.52 6 ATOMO 1131 CB SBR 137 20,120 52,418 27.908 1.00 30.03 6 ATOM 1132 OG SBR 137 20,769 53,559 27,412 1.00 44.19 8 TCMO 1133 C SER 137 19.128 50.507 26.840 1.00 27.38 6 ATCMO 1134 OR SER 137 18,911 49,694 27,721 1,0027.33 8 ÁTOMO 1135 H XLE 138 19,654 50,164 25,686 1,002S.86 7 ATOM 1136 C? XLE 138 20,004 48,806 25,343 1.00 29.46 6 ATOM 1137 CB XLB 138 19,189 48,176 24,193 1.0033.38 6 ATOM 1138 CG2 XLB 138 19,669 46,748 23,941 1,0027.23 6 ATOMO 1139 CGl XLB 138 17,679 48,197 24,472 1,0030.55 6 ATOMO 1140 CDl XLB 138 16.817 48.155 23.223 1.0029.53 6 ATOM 1141 C XLB 138 21,477 48,875 24,926 1,0029.88 6 ATOM 1142 OR ILE 138 21,768 49,377 23,849 1.00 27.99 8 ATCMO 1143 N PRO 139 22,345 48,476 25,837 1,0031.71 7 ? TOMO 1144 CD PRO 139 22,018 47,938 27,184 1,0032.73 6 ATOM 1145 C? PRO 139 23,776 48,398 25,598 1.0033.85 6 ATOM 1146 CB PRO 139 24,380 48,213 26,983 1.00 36.13 6 ATOM 1147 CG PRO 139 23,248 48,384 27,950 1.0034.99 6 ATOM 1148 C PRO 139 24,030 47,160 24.741 1.0035.63 6 ATOM 1149 0 PRO 139 23,324 46,160 24.888 1.0038.22 8 ÁTOMO 1150 H GLN 140 24,974 47,208 23,827 1.00 36.97 7 ATOM 1151 C? GLN 140 25,288 46,110 22,935 1.00 35.17 6 ? TOMO 1152 CB GLN 140 26,223 45,124 23,631 1.00 43.87 6 ATOM 1153 CG GLN 140 27,518 45,802 24,088 1.00 49.77 6 ÁTOMO 1154 CD GLN 140 27.883 45.282 25.468 1.00 56.21 6 ATOMO 1155 OBI GLN 140 28,145 44,084 25,593 1,0057.44 8 ? VOLUME 1156 NE2 GLN 140 27,883 46,161 26,468 1.00 57.25 7 ATOMO 1157 C GLN 140 24,060 45,418 22,362 1.0034.61 6 ATOM 1158 OR GLN 140 23,677 44,284 22,693 1.00 33.34 8 ATOMO 1159 N ALA 141 23,473 46,111 21,391 1.00 29.80 7 TOMO 1160 C? ALA 141 22,287 45,634 20,694 1.00 30.02 6 ATCMO 1161 CB ALA 141 21,778 46,745 19,774 1,0027.89 6 ATOM 1162 C ALA 141 22,561 44,400 19,832 1.00 29.52 6 ATOM 1163 OR ALA 141 23,650 44,270 19,263 1.0029.60 8 ATOM 1164 N ASH 142 21,528 43,582 19,665 1,0030.60 7 ATOM 1165 C? ASN 142 21,642 42,435 18,738 1,0031.55 6 ATOM 1166 CB? SN 142 21,985 41,139 19,453 1.00 30.39 6 ATOM 1167 CG ASN 142 21,012 40,749 20,534 1.00 31.63 6 ATOM 1168 OD1? SN 142 19,838 40,423 20,268 1.00 27.57 8 ATOM 1169 HD2 ASN 142 21,479 40,739 21,781 1.0033.23 7 ATOM 1170 C? SN 142 20,357 42,321 17,936 1.00 32.33 6 ATOM 1171 OR ASN 142 19,453 43,168 18,122 1.0029.09 8 ATOM 1172 H HXS 143 20,223 41,257 17,134 1.00 29.40 7 ATOM 1173 C? HXS 143 19,075 41,086 16,266 1.00 28.82 6 ATOM 1174 CB HXS 143 19,262 39,895 15,272 1.0024.51 6 ATOM0 1175 CG HXS 143 20,360 40,234 14,295 1.00 31.72 6 ATOMO 1176 CD2 HIS 143 20,704 41,420 13,740 1.0033.88 6 ? TOMP 1177 HD1 HXS 143 21,278 39,328 13,822 1,0032.86 7 ATOMO 1178 CEI HXS 143 22,117 39,927 13,008 1.0031.84 6 ATOM 1179 NB2 HIS 143 21,794 41,202 12,941 1,0031.48 7 ? TOMO 1180 C HXS 143 17,747 40,857 16,976 1,0026.62 6 TOMO 1181 OR HXS 143 16,696 41,098 16,366 1.00 25.96 8 ATCMO 1182 N SBR 144 17,812 40,412 18,221 1.00 20.85 7 ATOM 1183 C? SBR 144 16,557 40,128 18,941 1,0024.82 6 ATOM 1184 CB SER 144 16,839 38,979 19,915 1.00 30.28 6 ATOM 1185 OG SER 144 17,739 39,389 20,930 1.00 39.11 8 ATOM 1186 C SER 144 15,976 41,423 19,474 1.00 24.89 6 ATOMO 1187 OR SBR 144 14,775 41,518 19.755 1.00 25.22 8 ATOMO 1188 N HTS '145 16,746 42,522 19,463 1.0020.33 7 ATOM 1189 C? HXS 145 16,306 43,861 19,811 1.00 19.38 6 ATONO 1190 CB HIS 145 17,474 44,762 20,302 1.00 19.40 6 ATOMO 1191 CG HIS 145 18,145 44,212 21,534 1.00 18.37 6 ATCMO 1192 CD2 HXS 145 17,620 43,886 22,744 1.00 18.22 6 ATOM 1193 ND1 HS 145 * 19,493 43,965 21,627 1,0023.55 7 ÁTOMO 1194 CB1 HXS 145 19,768 43,492 22,829 1.00 26.33 6 ATOM 1195 NB2 HXS 145 18,643 43,412 23,525 1.00 21.05 7 ATOM 1196 C HXS 145 15,589 44,553 18,657 1.00 22.05 6 ÁTOMO 1197 0 HXS 145 15,013 45,636 18,848 1.00 21.86 8 ATOM 1198 N SBR 146 15,569 43,997 17,440 1,0020.66 7 ATOMO 1199 C? SER 146 14,833 44,649 16,363 1.00 19.96 6 ATOMO 1200 CB SER 146 15.075 44.009 14.986 1.00 20.48 6 ATOMO 1201 OG SER 146 16.442 44.154 14.613 1.00 25.61 8? TCMO 1202 C SER 146 13.339 44.596 16.656 1.00 20.51 6? TCMO 1203 OR SER 146 12.915 43.614 17.287 1.00 22.06 8? TCMO 1204 H GLY 147 12,556 45,578 16,197 1.00 16.70 7? TCMO 1205 C? GLY 147 11.123 45.383 16.411 1.00 20.49 6 ATOMO 1206 C GLY 147 10.385 46.714 16.555 1.00 22.63 6 ATOMO 1207 OR GLY 147 10.982 47.762 16.332 1.00 16.09 8 ATOMO 1208 H? SP 148 9: 111 46.560 16.951 1.00 20.62 7? VOLUME 1209 C? SP 148 8.324 47.777 17.121 1.00 21.57 6? TOMO 1210 CB? SP 148 6.882 47.579 16.674 1.00 28.99 6 ATOM 1211 CG? SP 148 6,819 47,144 15,219 1.00 41.07 6? VOLUME 1212 OD1 ASP 148 7,849 47,338 14,540 1.00 39.21 8? TCMO 1213 OD2 ASP 148 5,763 46,620 14,808 1.00 39.40 8? TCMO 1214 C? SP 148 8,315 48,214 18,590 1.00 20.72 6 ATOMY 1215 O? SP 148 7,817 47,469 19,447 1.00 20.27 8 ATCMO 1216 N TYR 149 8,822 49,440 18,798 1.00 16.97 7 ATOM 1217 C? TYR 149 8,811 49,966 20,164 1.00 18.60 6 ATCMO 1218 CB TYR 149 10,193 50,587 20,472 1.00 16.94 6 ATOM 1219 CG TYR 149 11,272 49,534 20,606 1.00 18.45 6 • TOM ° 1220 CDl TYR 149 11.901 48.928 19.528 1.00 19.27 6 ATOM 1221 CEI TYR 149 12.877 47.948 19.737 1.00 20.18 6 ATCMO 1222 CD2 TYR 149 11,672 49,162 21,879 1.00 18.36 6 ATOM 1223 CE2 TYR 149 12,636 48,216 22,116 1.00 15.60 6? TCMO 1224 CZ TYR 149 13,238 47,606 21,027 1.00 18.77 6 ATOM 1225 OH TYR 149 14,211 46,660 21,253 1.00 18.41 8 ATOM 1226 C TYR 149 7,767 51,061 20,355 1.00 15.78 6 ATCMO 1227 O TYR 149 7.539 51.859 19.450 1.00 15.86 8 ÁTOMO 1228 H HXS 150 .196 51,126 21,559 1.00 15.01 7 ATCMO 1229 C? HXS 150 .247 52,171 21,925 1.00 12.99 6 ATOM 1230 CB HIS 150 .849 51,980 21,372 1.00 11.96 6 ATOMO 1231 CG HXS 150 .942 51,032 22,117 1.00 17.71 6 ATOMO 1232 CD2 HXS 150 .944 51,295 23,004 1.00 16.09 6 ATCMO 1233 ND1 HIS 150 .988 49,660 21,971 1.00 11.60 7 ATOMO 1234 CEI HXS 150 .058 49,103 22,716 1.00 16.95 6 ATOMO 1235 NE2 HXS 150 .407 50,057 23,370 1.00 19.22 7 ATOMO 1236 C HIS 150 .263 52,270 23,462 00 13.37 6 ATOMO 1237 OR HIS 150 .922 51,448 24.129, 00 12.78 8 ATOMO 1238 N CYS 151 5,680 53,355 23,957 .00 14.21 7 ATOMO 1239 C ? CYS 151 5,670 53,559 25,414 00 15.38 6 ATOM 1240 C CYS 151 4,301 53,982 25,880 00 16,27 6? VOLUME 1241 OR CYS 151 3,422 54,404 25,132 1.00 15.15 8? TCMO 1242 CB CYS 151 6,746 54,562 25,856 1.00 16.85 6 ATOMS 1243 SG CYS 151 6,581 56,269 25,248 1.00 14.82 16 ATOM 1244 N THR 152 4,080 53,805 27,186 1.00 17.41 7 ? TOM ° 1245 C? THR 152 2,875 54,223 27,862 1.00 17.27 6 ATOM0 1246 CB THR 152 1.899 53.131 28.305 1.00 21.80 6-ATOM0 1247 OG1 THR 152 2.527 52.212 29.205 1.00 17.53 ß ATOM0 1248 CG2 THR 152 1.356 52.388 27.075 1.00 17.12 6 ATOM ° 1249 C THR 152 3.346 54.989 29.127 1.00 19.83 6 ATOM ° 1250 O THR 152,471 54,724 29,600 1.00 16.21 8 ATCM ° 1251 N GLY 153 2,496 55,913 29,534 1.00 17.84 7 ATOM 1252 C? GLY 153 2.815 56.706 30.731 1.00 20.33 6 ATCMO 1253 C GLY 153 1.647 57.605 31.108 1.00 18.60 6 ATCMO 1254 OR GLY 153 0.779 57.915 30.293 1.00 19.87 8 ATOMO 1255 N? SH 154 1.603 58.000 32.373 1.00 20.99 7? TCMO 1256 C? ? SN 154 0.560 58.815 32.959 1.00 20.36 6? TCMO 1257 CB? SN 154 0.512 58.556 34.478 1.00 26.77 6 ATOM 1258 CG? SN 154 -0.800 57.928 34.897 1.00 40.91 6 ATOMO 1259 OD1? SN '154 -1.700 58.580 35.441 1.00 46.67 8 ATOMO 1260 ND2 ASN 154 -0.927 S6.639 34.633 1.00 40.24 7 ATOM 1261 C ASN 154 0.879 60.300 32.817 1.00 22.51 6 TCMO 1262 O? SN 154 1,973 60,685 33,272 1.00 22.15 8 ATOM 1263 N ILE 155 -0,018 61,067 32,202 1.00 19.40 7 ATOM 1264 C? XLB 155 0.198 62.514 32.139 1.00 22.27 6 ATCMO 1265 CB ILE 155 0.210 63.116 30.731 1.00 26.29 6 ATCMO 1266 CG2 ILE 155 0.327 64.640 30.831 1.00 23.31 6 ATOMO 1267 CGl XLB 155 1.367 62.544 29.899 1.00 28.16 6 ATOM 1268 CDl ILE 155 1,371 62,874 28,434 1.00 29.42 6 ATOMO 1269 C XLB 155 - 0.974 63,089 32,941 1.00 27.67 6 ATOM 1270 OR XLE 155 -2,112 62,726 32,639 1.00 24.10 8 ATOM 1271 H GLY 156 -0,732 63,838 34,020 1.00 33.10 7 ATOM 1272 C? GLY 156 -1.942 64.285 34.780 1.00 37.62 6 TOMO 1273 C GLY 156 -2,447 63,053 35,527 1.00 38.80 6 ATOM 1274 OR GLY 156 -1,659 62,512 36,299 1.00 43.91 8 ? TOMO 1275 N TYR 157 -3,655 62,573 35,307 1.00 41.47 7 ATCMO 1276 C? TYR 157 -4,182 61,357 35,894 1.00 43.65 6 ATOMO 1277 CB TYR 157 -S. 381 61,642 36,832 1.00 51.51 6 ATONO 1278 CG TYR 157 -5,020 62,592 37,961 1.00 57.42 6 ATOM 1279 CDl TYR 157 -5,523 63,885 37,982 1.00 60.45 6 ATOM 1280 CEI TYR 157 -5,179 64,765 38,992 1.00 62.57 6 ATCMO 1281 CD2 TYR 157 -4,140 62,204 38,963 1.00 61.00 6 TCMO 1282 CE2 TYR 157 -3.788 63.079 39.982 1.00 63.03 6 ATCMO 1283 CZ TYR 157 -4,313 64,353 39,986 1.00 63.56 6 ATOM 1284 OH TYR 157 -3,979 65,237 40,984 1.00 66.68 8 ATOM 1285 C TYR 157 -4,676 60,351 34,849 1.00 41.96 6 ATCMO 1286 OR TYR 157 -5,445 59,420 35,115 1.00 41.33 8 ATOMO 1287 N THR 158 -4,298 60,547 33,594 1.00 36.77 7 ATCMO 1288 C? THR 158 -4,722 59. 693 32,496 1.00 30.71 6 ATOM 1289 CB THR 158 -5,260 60,597 31,364 1.00 30.82 6 ATCMO 1290 OG1 THR 158 -6,237 61,471 31,942 1.00 30.47 8 ATOMO 1291 CG2 THR 158 -5,851 59,819 30,207 1.00 29.21 6 ATCMO 1292 C THR 158 -3,532 58,944 31,912 1.00 25.66 6 ATOM 1293 OR THR 158 -2,521 59,609 31,642 1.00 24.50 8 TCMO 1294 N LEU 159 -3,689 57,664 31.609 1.00 21.00 7 ATOMO 1295 C? LEU 159 -2,617 56,924 30,960 1.00 21.01 6 ATOMO 1296 CB LEU 159 -2,737 55,435 31,284 1.00 26.53 6 ATCMO 1297 CG LEO 159 -1.601 54.487 30.958 1.00 27.15 6 ? TOMO 1298 CDl LEU 159 -0.323 54.817 31.713 1.00 25.15 6 ATOM 1299 CD2 LEO 159 -1,979 53,036 31,316 1.00 28.75 6 ATOMO 1300 C LEO 1S9 -2,654 57,179 29,461 1.00 22.04 6 TOMO 1301 OR LEU 159 -3,711 57,248 28,844 1.00 22.64 8 ATOM 1302 N PHE 160 -1,484 57,396 28,855 1.00 20.79 7 ATOM 1303 C? PHE 160 -1,430 57,576 27.409 1.00 19.10 6 ATOMO 1304 CB PHE 160 -0.821 58.946 27.060 1.00 20.91 6 ATCMO 1305 CG PHE 160 -1,848 60,034 27,216 1.00 19.50 6 ATCMO 1306 CDl PHE 160 -1.971 60.676 28.442 1.00 24.86 6 ATOM 1307 CD2 PHE 160 -2,645 60,409 26,156 1.00 21.03 6 ATOM 1308 CEI PHE 160 -2,903 61,709 28,588 1.00 29.44 6 ATOMO 1309 CE2 PHE 160 -3.582 61.421 26.296 1.00 19.89 6 ATOMO 1310 CZ PHE 160 -3.704 62,074 27,529 1.00 25.34 6 ATCMO 1311 C PHE 160 -0.521 56.513 26.794 1.00 17.36 6 ATOMO 1312 OR PHB 160 0.346 55.982 27.504 1.00 18.36 8 ATOMO 1313 N SER 161 -0.753 56,240 25,521 1.00 17.60 7 ATOM 1314 C? SER 161 0.087 55.302 24.785 1.00 14.63 6 ATOM 1315 CB SER 161 -0.744 54,150 24,188 1.00 20.14 6 ATOMO 1316 OG SER 161 0.115 53.054 23.901 1.00 21.55 8 ATCMO 1317 C SER 161 0.662 56.037 23.561 1.00 18.96 6.

ATOM 1318 OR SER 161 -0.101 56.753 22.894 1.00 19.79 8 ATON 1319 N SER 162 1,921 55,796 23,232 1.00 16.19 7 ATON 1320 C? SER 162 2.518 56.404 22.049 1.00 16.74 6 ATOMO 1321 CB SBR 162 4,029 56,678 22,233 1.00 16.78 6 ATCMO 1322 OG SER 162 4,801 55,530 21,900 1.00 21.00 8 ATOMO 1323 C SER 162 2,322 55,485 20,845 1.00 18.24 6 ATOMO 1324 OR SER 162 1,949 54,305 20,987 1.00 16.85 8 ATOM 1325 N LYS 163 2,535 56,027 19. 652 1.00 17.96 7 ÁTO OR 1326? LYS 163 2,484 55,203 18,445 1.00 17.36 6 ATCMO 1327 CB LYS 163 2,369 55,957 17,133 1.00 20.94 6 ATOM 1328 CG LYS 163 1,228 56,885 16,902 1.00 25.34 6 ATOMO 1329 CD LYS 163 -0.128 56.271 16.685 1.00 29.02 6 ATOM 1330 CE LYS "163 -0.954 57,131 15,721 1.00 42.35 6 ATOMO 1331 NZ LYS 163 -0,495 58,558 15. 692 1.00 38.14 7 ATOMO 1332 C LYS 163 3,821 54,466 18,391 1.00 17.27 6 ATOMO 1333 OR LYS 163 4,817 54,906 18,978 1.00 16.54 8 ATCMO 1334 N PRO 164 3.840 53.348 17.696 1.00 18.39 7 ATCMO 133S CD PRO 164 2,702 52,743 16,952 1.00 20.79 6 ATCMO 1336 C? PRO 164 5,060 52,572 17,556 1.00 19.84 6 ATCMO 1337 CB PRO 164 4,545 51,177 17,142 1.00 17.33 6 TCMO 1338 CG PRO 164 3,254 51,416 16,475 1.00 21.76 6 ATCMO 1339 C PRO 164 6,032 53,169 16,528 1.00 19.62 6 ATOMO 1340 OR PRO 164 5,723 53,942 15,619 1.00 19.46 8 ATOMO 1341 N VAL 165 7.295 52.833 16. 674 1.00 17.22 7 ATOM 1342 C? VAL 165 8,427 53,162 15,841 1.00 20.36 6 ATOM 1343 CB VAL 165 9,405 54,190 16,450 1.00 20.84 6 ATOM 1344 CGl VAL 165 • 10,418 54,643 15,404 1.00 20.46 6 ATCMO 1345 CG2 VAL 165 8.699 55.475 16.899 1.00 23.72 6 ATOMUM 1346 C VAL 165 9.173 51.833 15.590 1.00 22.05 6 ÁTOMO 1347 0 VAL 165 9.532 51.094 16.499 1.00 22.10 8 ATOM 1348 N THR 166 9,444 51,549 14,320 1.00 24.93 7 ATOM 1349 C? THR 166 10,111 50,317 13,939 1.00 26.07 6 ATOMO 1350 CB THR 166 9,631 49,784 12,579 1.00 31.66 6 ATOM ° 1351 OG1 THR 166 9.737 50.811 11.569 1.00 38.39 8 ATOM 1352 CG2 THR 166 8,180 49,353 12,694 1.00 23.71 6 ATCMO .1353 C THR 166 11,611 50,597 13,990 1.00 25.06 6 ATOM 1354 OR THR 166 11,985 51,536 13,244 1.00 21.88 8 ATOM 1355 N ILE 167 12,362 49,878 14,714 1.00 21.40 7 ATOM 1356 C? XLB 167 13,784 49,907 14,909 1.00 25.06 6 ATOM 1357 CB XLE 167 14,088 50,164 16,424 1.00 26.21 6 ATOM0 1358 CG2 XLE 167 15,588 50,159 16,673 1.00 26.68 6 ATOM ° 1359 CGl XLE 167 13,415 51,472 16,825 1.00 26.56 6 ATOM 1360 CDl XLB 167 13,946 52,318 17,339 1.00 30.83 6 ATOM ° 1361 C XLE 167 14,416 48,572 14,501 1.00 24.36 6 ATOM0 1362 OR ILE 167 14,013 47,482 14.920 1.00 23.36 8 ATOM0 1363 H THR 168 15,412 48,591 13,630 1.00 22.83 7 ATGM ° 1364 C? THR 168 16,083 47,405 13,152 1.00 27.27 6 ATCM ° 1365 CB THR 168 15,945 47,266 11,622 1.00 31.88 6 ÁTOMO 1366 OG1 THR 168 14,565 47,371 11,277 1.00 32.11 8 ? TOMO 1367 CG2 THR 168 16,462 45,894 11,179 1.00 34.54 6 ATOMS 1368 C THR 168 17,575 47,414 13,951 1.00 28.53 6 ATOMO 1369 0 THR 168 18,190 48,483 13.508 1.00 32.64 8 ? TOMO 1370 N VAL 169 18,090 46,260 13,863 1.00 23.55 7 ATCMO 1371 C? VAL 169 19,472 46,011 14,163 1.00 27.27 6 ATOM 1372 CB VAL 169 19,728 45,359 15,523 1.00 28.51 6 ATOM 1373 CGl VAL 169 21,227 45,133 15,757 1.00 26.42 6 ATOM 1374 CG2 VAL 169 19,189 46,160 16,696 1.00 27.97 6 ATCMO 1375 C VAL 169 20,011 45,022 13,098 1.00 32.65 6 ATOMO 1376 0 VAL 169 19,332 44,056 12.710 1.00 33.21 8 ATOM 1377 N GLN 170 21,245 45,196 12.6B9 0.01 33.85 7? TCM ° 1378 C? GLN 170 21,966 44,390 11,737 0.01 3S.75 6 ATCMO 1379 CB GLN 170 23,335 44,027 12,362 0.01 36.48 6 ATOM ° 1380 CG GLN 170 24,465 44,012 11,347 0.01 37.54 6 ? TOM ° 1381 CD GLN 170 25,478 45,110 11,599 0.01 37.91 6 ÁTOMO 13B2 OBI GLN 170 25,142 46,186 12,096 0.01 38.17 8 ATOM 1383 NE2 GLN 170 26.73S 44,846 11,257 0.01 38.21 7 ÁTOMO 13B4 C GLN 170 21,355 43,088 11,241 0.01 36.70 6 ATOMS 13B5 OR GLN 170 21,049 42,167 11,995 O.Ol 36.81 8 ATOM ° 1386 N VAL 171 21,273 42,959 9,919 0.01 37.51 7 ATCM ° 1387 C? VAL 171 20,781 41,772 9,240 0.01 38.20 6 ATOM0 1388 CB VAL 171 19,483 41,208 9,842 0.01 38.61 6- ATOM0 1389 CGl VAL 171 18,334 42,199 9.681 0.01 38.88 6 ATON ° 1390 CG2 VAL 171 19,115 39,881 9,180 0.01 38.83 6 ATCMO 1391 C VAL 171 20,587 42,048 7,750 0.01 38.42 6 ATOM 1392 OR VAL 171 21,420 41,573 6,949 0.01 38.53 8 ÁTOMO 1393 owo WAT 201 13,958 68,106 19,930 1.00 18.36 8 ÁTOMO 1394 owo WAT 202 13,653 41,241 23,320 1.00 24.59 8 ATOMO 1395 swo WAT 203 5,895 57,410 18. 65 1.00 14.14 8 ATOMO 1396 owo WAT 204 9,519 72,688 30,514 1.00 42.11 8 ATOMO 1397 owo WAT 205 8,700 64,454 28,355 1.00 21.65 8 ATCMO 1398 owo WAT 206 25,548 65,664 7,898 1.00 24.88 8 ATOMO 1399 owo WAT 207 2,902 52,471 31,897 1.00 19.13 8 ATOMO 1400 owo WAT 208 14,303 45,256 23,676 1.00 24.28 8 ATOMO 1401 owo WAT '209 10,371 62,552 29,076 1.00 27.73 8 ATOMO 1402 owo WAT 210 12,433 66,629 21,505 1.00 14.04 8 ATOMO 1403 owo WAT 211 5,417 47,499 21,002 1.00 16.89 8 ATOMO 1404 owo WAT 212 29,599 82,797 11,595 1.00 34.62 8 TOMO 1405 owo WAT 213. 17,813 70,187 2,648 1.00 16.34 8 ATOMO 1406 owo WAT 214 6,656 58,315 16,413 1.00 24.31 8 ATOMO 1407 owo WAT 215 21,191 80,146 5,335 1.00 30.05 8 ATOM 1408 owo WAT 216 15,621 66,766 18,319 1.00 18.82 8 TCMO 1409 owo WAT 217 6,528 56,410 14,460 1.00 26.68 8 ATOMO 1410 owo WAT 218 6,213 69,723 22,792 1.00 19.89 8 ATOMO 1411 owo WAT 219 12,935 67,874 24.109 1.00 29.95 8 ATOM 1412 owo WAT 220 -2,277 62,236. 20.953 1.00 28.34 8 ATOM 1413 OWO WAT 221 20,151 71,344 0.183 1.0021.62 8 ÁTOMO 1414 OWO WAT 222 27,773 65,203 6,295 1,0020.74 8 ATCMO 1415 swo WAT 223 -0,481 58,864 19,811 1.0024.67 8 ATOM 1416 OWO WAT 224 17,815 67,914 1,120 1.0026.99 8 ÁTOMO 1417 OWO WAT 225 16.604 64.761 25.S23 1.0018.45 8 ATOM 1418 OWO WAT 226 -0.330 59,580 22,516 1.0029.01 8 ATOMO 1419 swo WAT 227 13,324 40,955 17,129 1.00 40.98 8 ÁTOMO 1420 OWO WAT 228 9,214 41,380 22,450 1.00 41.91 8 ATOM 1421 OWO WAT 229 20,146 82,270 13,850 1,0050.03 8 ATOM 1422 OWO WAT 230 21,707 80,353 12,325 1.00 18.46 8 ATOMO 1423 OWO WAT 231 15,403 67,167 25,599 1,0021.44 8 ATOM 1424 OWO WAX 232 12,703 63,258 30,174 1.00 37.28 8 ATOM "1425 OWO WAT 233 12,479 61,400 39,250 1.0023.78 8 ATOMO 1426 OWO WAT 234 13,921 59,460 9.106 1.0040.49 8 ATOMO 1427 OWO WAT 235 7,230 72,381 24,432 1.00 41.81 8 ATOMO 1428 swo WAT 236 2,989 58,681 19,344 1.00 17.29 8 ATONO 1429 swo WAT 237 12,865 75,036 10,180 1.00 47.19 8 ATOMO 1430 swo WAT 238 2,754 67,991 13,259 1.0035.75 8 ATOMO 1431 OWO WAT 239 17,416 57,608 26,641 1,0032.09 8 ATCMO 1432 swo WAT 240 31,068 75,579 10,888 1.0020.85 8 ATOM 1433 OWO WAT 241 17,725 71,985 21,261 1,0025.43 8 ATCMO 1434 swo WAT 242 32,760 6S.2S1 6.079 1.0038.04 8 ÁTOMO 1435 swo WAT 243 14,079 72,373 25,218 1.00 20.23 8 ATOM 1436 swo WAT 244 16,644 77,936 -2,315 1.0034.00 8 ATOM 1437 OWO WAT 245 1,790 62,643 35,518 1,0030.63 8 ATOM 1438 OWO WAT 246 10,026 76,840 13,639 1.0031.10 8 ATOM 1439 OWO WAT 247 11,096 40,538 24,599 1.0033.25 8 ÁTONO 1440 swo WAT 248 19,457 73,016 -2,970 1.0036.88 8 ATOM 1441 swo WAT 249 18,578 60,108 26,756 1.0030.86 8 ATOMO 1442 swo WAT 250 11,119 78.67S 16,190 1.0037.83 8 ATOMO 1443 OWO WAT 251 2,583 76,687 28,032 1.00 73.18 8 ATOM 1444 OWO WAT 252 0.243 75,153 22.803 1.0034.15 8 ATOM 1445 OWO WAT 253 33,328 82,165 10,255 1.0023.17 8 TOMO 1446 OWO WAT 254 22,212 87,081 5,080 1,0051.41 8 ATOMO 1447 OWO WAT 255 21,393 83,921 11,680 1.0031.47 8 ATOMO 1448 OWO WAT 256 37,174 72,382 4,349 1.0036.66 8 ATOM 1449 OWO WAT 257 23,291 S3,950 13,981 1.00 45.02 8 ATOMO 14S0 OWO WAT 258 31,521 80,134 5.404 1.0028.19 8 ATOMO 1451 swo WAT 259 11,904 78,169 8.209 1.00 61.39 8 ATOMO 1452 swo WAT 260 7,393 36,160 24,668 1.00 45.96 8 ATCMO 1453 OWO WAT 261 12,356 70,954 23,727 1,0023.77 8 TOMO 1454 OWO WAT 262 33,898 69,078 7,353 1.0032.96 8 ATOMO 1455 OWO WAT 263 28,502 52,764 25,478 1,0058.40 8 ATCMO 1456 OWO WAT 264 23,414 37,810 18,427 1,0035.16 8 ÁTOMO 1457 OWO WAT 265 4,792 74,631 16,778 1,0044.49 8 ATOM ° 1458 OWO WAT 266 28.509 77.721. -1.620 1.0050.51 8 ATCM ° 1459 OWO WAT 267 19,685 68,488 -0,712 1.00 45.74 8.

ATOM ° 1460 OWO WAT 268 10,899 74,487 23,620 1.00 43.61 8 ATOM ° 1461 OWO WAT 269 -1,033 73,720 20,128 1.0034.52 8 ATCM ° 1462 OWO WAT 270 15,215 67,397 0.077 1.0027.35 8 ATOM 1463 swo WAT 271 8,748 79,989 16,508 1,0051.59 8 ATOM 1464 OWO WAT 272 22,332 82,314 3,707 1.00 30.25 8 ATOMO 146S OWO WAT 273 23,373 70,771 17,610 1,0022.44 8 ATCMO 1466 swo WAT 274 11,965 67,872 26,359 1,0026.92 8 ÁTOMO 1467 OWO WAT 275 35,793 71,146 7,198 1,0027.19 8 ATOMO 1468 OWO WAT 276 10,333 72,530 25,867 1.00 46.78 8 ATOM 1469 OWO WAT 277 17,230 69,185 24,852 1.0026.22 8 ATOMO 1470 OWO WAT 278 17,594 51,432 30,830 1.00 32.58 8 ATOMO 1471 OWO WAT 279 8,561 67,703 32,884 1.00 37.04 8 ATOM 1472 OWO WAT * 280 16,374 71,765 -4,195 1.0031.45 8 ATOMO 1473 OWO WAT 281 8,995 70,329 24,946 1.00 36.64 8 TOMO 1474 OWO WAT 282 19,019 47,051 28,676 1.00 48.06 8 ATCMO 1475 swo WAT 283 20,039 61,350 15,742 1.0023.23 8 ATOMO 1476 OWO WAT 284 21.308 55.309 20.658 1.0028.24 8 ATOM 1477 OWO WAT 285 * 7,405 70,019 5,261 1.00 41.47 8 ATCMO 1478 swo WAT 286 23,729 66,066 0.632 1.0030.27 8 ATCMO 1479 swo WAT 287 15,826 40,095 23,946 1.00 41.94 8 TOMO 1480 OWO WAT 288 -0.119 50.371 24.812 0.5025.93 8 ATOM 1481 OWO WAT 289 3,397 54,879 42,245 1,0029.87 8 ATOMO 1482 OWO WAT 290 10,215 S3.151 32,270 1.00 43.33 8 ATOMO 1483 OWO WAT 291 8.440 65.109 33.883 1.00 34.09 8 ATOMO 1 CB? LA 401 -36,645 32,040 -4.702 1.0051.37 6 ATOM 2 C ALA 401 -36,199 32,572 -2,285 1.00 42.22 6 ATOM 3 OR ALA 401 -36,801 33,374 -1,569 1.00 42.70 8 ATCMO 4 N ALA 401 -34,367 32,745 -3,997 1.00 45.74 7 ATCMO 5 C? ALA 401 -35,829 32,874 -3,724 1.00 43.68 6 ATCMO 6 N PRO 402 -35,903 31,367 -1,817 1.00 40.54 7 ATOM 7 CD PRO 402 -35,149 30,320 -2,533 1.00 38.91 6 ATOM 8 C? PRO 402 -36,172 31,022 -0,425 1.00 38.61 6 ATOMO 9 CB PRO 402 -35,765 29,566 -0,322 1.00 39.86 6 ATOM 10 CG PRO 402 -34,790 29,353 -1,426 1.00 41.36 6 ATOMO 11 C PRO 402 -35,294 31,935 0.434 1.00 36.70 6 ATONO 12 OR PRO 402 -34,188 32,212 -0,042 1.00 32.46 8 ATOMO 13 N PRO 403 -35,789 32,370 2,579 1.00 33.82 7 ATCMO 14 CD PRO 403 -37,120 32,009 2,110 1.00 35.16 6 ATCMO 15 C? PRO 403 -35,069 33,229 2,491 1.00 38.25 6 ATOM 16 CB PRO 403 -35,872 33,227 3,799 1.00 37.39 6 ÁTOMO 17 CG PRO 403 -37,180 32,599 3,486 1.00 37.41 6 ATOMO 18 C PRO 403 -33,653 32,730 2,790 1.00 37.48 6 ATOMO 19 OR PRO 403 -33,393 31,531 2,683 1.00 34.39 8 ATONO 20 N LYS 404 -32,763 33,654 3,173 1.00 37.04 7 ATOMO 21 C? LYS 404 -31,399 33,188 3,424 1.00 34.97 6 ATOMO 22 CB LYS 404 -30,318 34,202 3,122 1.00 43.98 6 ATOMO 23 CG LYS 404 -30,564 35,675 3,278 1.00 47.64 6 ATOM 24 CD LYS 404 -29,775 36,517 2,292 1.00 52.03 6 ATOM 25 CE LYS 404 -28,317 36,123 2,137 1.00 57.56 6 ATCMO 26 NZ LYS 404 -27,724 36,613 0.855 1.00 56.40 7 ÁTOMO 27 C LYS 404 -31,243 32,632 4,825 1.00 31.44 6 ATOMO 28 OR LYS 404 -31,846 33,097 5,784 1.00 29.91 8 ATCMO 29 H ALA 405 -30,416 31,586 4,908 1.00 28.75 7 ATOM 30 C? ALA 40S -30,039 31,053 6,218 1.00 27.21 6 ATOM 31 CB ALA 40S -29,155 29,834 6.110 1.00 21.94 6 ATCMO 32 C ALA 405 -29,278 32,183 6,923 1.00 26.42 6 ATOMO 33 OR ALA 405 -28,760 33,072 6,222 1.00 26.10 8 ATOMUS 34 N VAL 406 -29,231 32,192 8,241 1.00 24.91 7 TOMO 35 C? VAL 406 -28,515 33,234 8,985 1.00 26.95 6 ATOM 36 CB VAL 406 -29,490 34,128 9,770 1.00 29.36 6 ATOMO 37 CGl VAL 406 -28,779 35,140 10,676 1.00 29.86 6 ATOMO 38 CG2 VAL 406 -30,434 34,842 8,801 1.00 26.74 6 ATONO 39 C VAL 406 -27,503 32,613 9,942 1.00 28.93 6 ATCMO 40 O VAL 406 -27,846 31,872 10,866 1.00 31.46 8 ÁTOMO 41 N LEU 407 -26,233 32,937 9,758 1.00 30.08 7 ATON 42 C? LEO 407 -25.105 32.483 10.546 1.00 29.33 6 ATOMO 43 CB LEO 407 -23,839 32,520 9,657 1.00 33.18 6 ATOMO 44 CG LEU 407 -22,828 31,408 9,960 1.00 34.94 6 ATCMO 45 CDl LEO 407 -22,082 30,990 8.721 1.00 27.55 6 ATCMO 46 CD2 LEU 407 -21,887 31,864 11,069 1.00 32.30 6 ÁTOMO 47 C LEU 407 -24,816 33,301 11,794 1.00 29.57 6 ATOMO 48 OR LEO 407 -24,653 34,515 11,800 1.00 30.04 8 ATOM 49 N LYS 408 -24,768 32,624 12,930 1.00 28.04 7 ATOMO 50 C? LYS 408 -24,568 33,174 14,257 1.00 25.12 6 ATOMO 51 CB LYS 408 -25,738 32,687 15,132 1.00 33.32 6 ÁTOMO 52 CG LYS 408 -25,777 33,255 16,532 1.00 39.37 6 ATCMO 53 CD LYS 408 -25.967 32.268 17.652 1.00 43.84 6 ATOMO 54 CB LYS 408 -27,129 31,305 17,487 1.00 47.78 6 ATOMO 55 NZ LYS 408 -27,525 30,691 18,793 1.00 48.98 7 ATOMY 56 C LYS 408 -23,233 32,674 14,797 1.00 24.53 6 ÁTOMO 57 O LYS 408 -22.934 31,482 14.739 1.00 25.35 8 ATOMO 58 N LEO 409 -22,423 33,556 15,333 1.00 24.78 7 ATOM 59 C? LEU 409 -21,080 33,313 15,843 1.00 22.07 6 ATOM 60 CB LEO 409 -20,189 34,383 15,190 1.00 20.04 6 ATOMO 61 CG LED 409 -18,725 34,503 15,596 1.00 20.57 6 ATOM 62 CDl LEO 409 -17,980 33,242 15,214 1.00 19.57 6 ATOM 63 CD2 LEO 409 -18,084 35,729 14,903 1.00 23.44 6 ÁTOMO 64 C LEO 409 -21,019 33,451 17,346 1.00 21.01 6 ATOMO 65 OR LEO 409 -21,424 34,473 17,869 1.00 22.38 8 ÁTOMO 66 N GLU 410 -20,583 32,456 18,118 1.00 22.53 7 ATOMO 67 C? GLU 410 -20,480 32,581 19,567 1.00 21.02 6 ÁTOMO 68 CB GLU 410 -21,523 31,684 20,270 1.00 27.36 6 ATOMO 69 CGA GLU 410 -22,971 32,088 20,090 0.50 28.21 6 ATOMO 70 CGB GLU 410 -22.946 32.209 20.195 0.50 38.29 6 ATOMO 71 CD? GLU 410 -24,047 31,077 20,422 0.50 28.55 6 ATOMO 72 CDB GLO 410 -23,100 33,664 20,587 0.50 43.48 6 ATCMO 73 OE1 GLU 410 -25,131 31,501 20,907 0.5026.56 8 ATONO 74 OBI GLO 410 -22,443 34,095 21,565 0.50 47.24 8 ATOMO 75 OE2 GLO 410 -23,868 29,858 20,186 0.5022.10 8 ATOMO 76 OE2 GLO 410 -23,871 34,380 19,908 0.50 46.42 8 ÁTOMO 77 C GLO 410 -19,096 32,138 20,008 1.00 19.76 6 ATOMO 78 OR GLO 410 -18.701 31,024 19,613 1.00 18.00 8 ATCMO 79 N PRO 411 -18,423 32,871 20,888 1.00 19.07 7 ATOM 80 CD PRO 411 -17,058 32,526 21,390 1.00 18.71 6? TOM ° 81 C? PRO 411 -18,834 34,204 21,319 1.00 18.84 6 ÁTOMO 82 CB PRO 411 -17,807 34,594 22,365 1.00 17.38 6 ATOMO 83 CG PRO 411 -16,560 33,866 21,944 1.00 18.86 6 ATOMO 84 C PRO 411 -18,787 35,108 20,090 1.00 20.01 6 ATOM ° 85 0 PRO 411 -18,310 34,654 19,051 1.00 16.22 8 ATOMY 86 N PRO 412 -19,232 36,349 20,155 1.00 19.94 7 ATOMO 87 CD PRO 412 -19,915 36,918 21,361 1.00 21.08 6 ATOM ° 88 C? PRO 412 -19,409 37,166 18,976 1.0020.68 6 ATOM0 89 CB PRO 412 -20.455 38.210 19.397 1.00 19.82 6 ATOMO 90 CG PRO 412 -20,292 38,299 20,872 1.00 23.59 6 ATOMO 91 C PRO 412 -18,179 37,805 18,395 1.00 18.70 6 ATCM ° 92 OR PRO 412 -18.268 38.391 17.318 1.00 19.85 8 ? TOM ° 93 N TRP 413 -17,039 37,697 19,059 1.00 15.64 7 ÁTOMO 94 CA TRP 413 -15,815 38,298 18,561 1.00 17.91 6 ATONO 95 CB TRP 413 -14,688 38,026 19,562 1.00 14.32 6 ÁTOMO 96 CG TRP 413 -15,124 38,117 21,006 1.00 16.77 6 ATOM 97 CD2 TRP 413 -15,633 39,254 21,703 1.00 16.90 6 ATCMO 98 CB2 TRP 413 -15,899 38,861 23,032 1.0016.87 6 TCMO 99 CES TRP 413 -15,867 40,587 21,350 1.00 18.03 6 TCMO 100 CDl TRP 413 -15,106 37,097 21,916 1.00 18.97 6 TCMO 101 NEI TRP 413 -15,589 37. S23 23,137 1.00 11.16 7 ATCMO 102 CZ2 TRP 413 -16,405 39,742 23,973 1.00 15.92 6 ATCMO 103 CZ3 TRP 413 -16.358 41.4S7 22.301 1.00 10.59 6 ATOM 104 CH2 TRP 413 -16,645 41,041 23,611 1.00 17.87 6 ATOMUS 105 C TRP 413 -15,421 37,833 17,163 1.00 19.47 6 ATOMO 106 0 TRP 413 -15,283 36,628 16,990 1.00 17.22 8 ATOM 107 N XLE 414 -15,101 38,788 16,275 1.00 16.57 7 ATOM 108 C? XLE 414 -14,666 38,425 14.936 1.00 18.93 6 ATCMO 109 CB XLE 414 -15,185 39,343 13,816 1.00 16.07 6 ÁTOMO 110 CG2 XLE 414 -16,720 39,345 13,840 1.00 16.61 6 ÁTOMO 111 CGl XLE 414 -14,582 40,747 13,972 1.0021.35 6 ATOMO 112 CDl XLE 414 -15,045 41,716 12,896 1.0026.28 6 ÁTOMO 113 C ILE 414 -13,144 38,317 14,825 1.00 20.48 6 ATOMP 114 O XLE 414 -12,652 37,818 13,817 1.00 19.41 8 ? TOM ° 115 N? SN 415 -12,403 38,779 15,836 1.00 19.46 7 ? TCMP 116 C? ? SN 415 -10,935 38,596 15,778 1.00 18.11 6 ATOMP 117 CB? SN 415 -10,161 39,904 15,731 1.00 13.53 6 ATCMP 118 CG? SN 415 -10,591 40,920 16,762 1.00 19.11 6 ATOM 119 OD1? SN 415 -11,728 40,907 17,227 1.00 13.35 8 ATOM 120 ND2? SN 415 -9,688 41,833 17,142 1.00 10.11 7 ATCMO 121 C ASN 415 -10,632 37,742 17,005 1.00 17.54 6 ÁTOMO 122 O? SN 415. -11,016 38,131 18,111 1.00 15.32 8 ÁTOMO 123 N VAL 416 -10,122 36,535 16,805 1.00 16.86 7 ATOMO 124 CA VAL 416 -9,871 35,593 17,893 1.00 1S.77 6 ATOMO 125 CB VAL 416 -10,761 34,332 17,748 1.00 16.54 6 ATOMO 126 CGl VAL 416 -12,251 34,725 17,733 1.00 13.42 6 ÁTOMO 127 CG2 VAL 416 -10,490 33,521 16,491 1.00 18.04 6 ÁTOMO 128 C VAL 416 -8,420 35,158 17,921 1.00 19.01 6 TCMO 129 0 VAL 416 -7,618 35.4BS 17,010 1.00 17.12 8 ÁTOMO 130 N LEU 417 -9,022 34,444 18,964 1.00 17.68 7 ATOMO 131 C? LEO "417 -6,664 33,904 19,068 1.00 15.11 6 ATOM 132 CB LEO 417 -6,162 34,140 20,522 1.0020.26 6 ATOMO 133 CG LEO 417 -5,873 35,615 20,823 1.0023.07 6 TCMO 134 CDl LEO 417 -5,447 35,853 22,253 1.0017.70 6 ÁTOMO 135 CD2 LEU 417 -4,832 36,152 19,855 1,0026.74 6 ÁTOMO 136 C LEU 417 -6,563 32,427 18,732 1.00 16.37 6 ATOMO 137 OR LEU 417 -7,518 31,679 18,961 1.00 18.24 8 ATCMO 138 N GLN 418 -5,424 31,935 18,227 1.00 18.55 7 ATOM 139 C? GLN 418 -5,237 30,496 18,032 1.00 19.13 6 ATOM 140 CB GLN 418 -3,790 30,145 17,696 1.00 31.65 6 ATOMO 141 CG GLN 418 -3,510 29,617 16,314 1.00 37.32 6 ATOMO 142 CD GLN 418 -2,120 29,964 .15,800 1.00 36.92 6 ATOMO 143 OE1 GLN 418 -1.953 30,834 14.943 1.00 30.97 8 ATOM 144 HE2 GLN 418 -1,135 29,248 16,333 1.0031.73 7 ÁTOMO 145 C GLN 418 -5,561 29,789 19,348 1.00 19.43 6 ATCMO 146 O GLN 418 -5,194 30,298 20,413 1.00 18.10 8 ÁTOMO 147 N GLU 419 -6,317 28,702 19,232 1.00 19.68 7 ATOM 148 C? GLU 419 -6,727 27,821 20,293 1.00 18.88 6 TCMO 149 CB GLO 419 -5.597 27.525 21.293 1.0027.39 6 ? TOMO 150 CG GLO 419 -4,649 26,448 20,714 1.00 30.12 6 ? TOMO 151 CD GLO 419 -3.558 26.167 21.720 1.00 41.87 6 ? TCMO 152 OO GLO 419 -3.857 25,536 22.758 1.00 48.83 8 ATCMO 153 OE2 GLO 419 -2,421 26,594 21,464 1,0046.61 8 ATOMO 154 C GLO 419 -8,004 28,244 20,998 1.0021.46 6 ATOM 155 OR GLU 419 -8,496 27,461 21,815 1.0026.39 8 ATOMO 156 N? SP 420 -8.606 29,360 20,619 1.00 19.91 7 ATOM 157 C? ASP 420 -9,898 29,772 21,114 1,0020.76 6 ATOMO 158 CB? SP 420 -10.285 31.217 20.726 1.00 13.47 6 ATOMO 159 CG? SP 420 -9.5B7 32,288 21,526 1.00 13.93 6 ATOM 160 OD1? SP 420 -8,873 32,061 22,534 1.00 17.57 8 ATOM 161 OD2 ASP 420 -9,723 33,461 21,104 1.00 13.79 8 ÁTOMO 162 C? SP 420 -11,002 28,916 20,451 1.00 19.58 6 ATOMO 163 O? SP 420 -10,913 28,647 19,262 1.00 17.49 8 ÁTOMO 164 N SER 421 -12,071 28,668 21,174 1.00 17.22 7 ATOMO 165 CA SER 421 -13,233 27,937 20,659 1.00 17.62 6 ÁTOMO 166 CBA SER 421 -14,011 27,341 21,844 0.50 17.49 6 TCMO 167 CBB SER 421 -13.981 27,310 21,846 O.SO 13.14 6 ATCMO 168 OGA SER 421 -14,900 26,350 21,355 0.50 22.95 8 ATCMO 169 OGB SER 421 -13,175 26,287 22,416 0.50 6.85 8 ÁTOMO 170 C SER 421 -14,181 28,828 19,873 1.00 18.61 6 ATCMO 171 OR SER 421 -14,424 29,982 20,265 1.0021.41 8 ATCMO 172 N VAL 422 -14,638 2B.3S4 18,721 1.00 15.80 7 ATOMO 173 C? VAL 422 -15.585 29,133 17,910 1.00 17.93 6 ATOMO 174 CB VAL 422 -15,052 29,632 16,560 1.0020.37 6 ? TOMO 175 CGl VAL 422 -16,093 30,465 15,804 1.00 17.77 6 ATCMO 176 CG2 VAL 422 -13.858 30.566 16.679 1.00 17.26 6 ATCMO 177 C VAL 422 -16,822 28,257 17,665 1.00 19.20 6 ATCMO 178 O VAL 422 -16,633 27,097 17,291 1.00 18.52 8 ATOMO 179 N THR 423 -18,021 28,759 17,917 1.00 16.32 7 ATOMO 180 C? THR 423 -19,249 28,043 17,648 1.00 19.99 6 ATCMO 181 CB THR 423 -20,080 27,738 18,911 1.00 22.97 6 ATCMO 182 OG1 THR 423 -19,192 27,117 19,850 1.00 18.42 8 ÁTOMO 183 CG2 THR 423 -21,241 26,809 18,614 1.00 16.78 6 ATOMO 184 C THR 423 -20,098 28.B50 16,658 1.00 24.68 6 ATOMO 185 OR THR 423 -20,509 29,986 16,897 1.00 22.59 8 ATOMO 186 H LEO 424 -20,257 28,248 15,467 1.0023.73 7 ATOM ° 187 C? LEU 424 -21,081 28.B15 14,423 1.00 23.11 6 ATCM ° 188 CB LEU 424 -20,427 28,660 13,046 1.0020.25 6 ATOM0 189 CG LEU 424 -19,053 29,386 12,959 1.0023.95 6 ATOM0 190 CDl LEO 424 -18,324 29,010 11,681 1.0020.78 6 ATOM ° 191 CD2 LEO 424 -19,251 30,881 13,049 1.0022.74 6 ATON ° 192 C LEO 424 -22,444 28,103 14,450 1.00 25.87 6 ATOM 193 OR LEO 424 -22,470 26,858 14,537 1.00 24.57 8 ATOM 194 N THR 425 -23,520 28,886 14,367 1.00 20.22 7 ATOM 195 C? • THR 425 -24,847 28,266 14,336 1.00 23.21 6 ATOM 196 CB THR 425 -25,656 28,601 15,597 1.00 27.69 6 ATOMO 197 OG1 THR 425 -24.945 28,136 16.755 1.00 26.30 8 ATOMO 198 CG2 THR 425 -27,041 27,941 15,590 1.00 28.49 6 ÁTOMO 199 C THR 425 -25,604 28,700 13,075 1.00 22.31 6 ATCMO 200 OR THR 425 -25,706 29,915 12,819 1.00 23.86 8 ATCMO 201 N CYS 426 -26,092 27,732 12,307 1.00 18.68 7 ATOM 202 C? CYS '426 -26,832 27,978 11,075 1.0023.20 6 ATCMO 203 c CYS 426 -28,345 27,956 11,346 1.00 23.06 6 ATOM 204 or CYS 426 -28,957 26.8B6 11,556 1.00 23.76 8 ATON 205 CB CYS 426 -26,509 26,985 9,958 1.00 17.92 6 ATOMO 206 SG CYS 426 -27,138 27,508 8,311 1.00 22.25 16 ATOMO 207 N GLN 427 -28,929 29,137 11,355 1.00 19.35 7 ATOMO 208 C? GLN 427 -30,332 29,345 11,658 1.00 23.30 6 ATOM 209 CB GLN 427 -30,543 30,657 12,464 1.00 29.78 6 ÁTOMO 210 CG GLN 427 -29,623 30,822 13,672 1.00 31.50 6 ATOMO 211 CD GLN 427 -29,927 32,038 14,518 1.0033.01 6 ATOMO 212 OBI GLN 427 -30,322 33,092 14,032 1.0038.67 8 ATOMO 213 NE2 GLN 427 -29,792 31,971 15,834 1.00 36.36 7 ATOMS 214 C GLN 427 -31,169 29,449 10,377 1.00 26.33 ATOMO 215 OR GLN 427 -30,764 30,010 9,347 1.00 23.15 8 ATOMUS 216 N GLY 428 -32,363 28,847 10,438 1.00 27.69 7 ATOM 217 C? GLY 428 -33,289 28,847 9,313 1.00 28.02 6 ATOMS 218 C GLY 428 -34,022 27,506 9,215 1.00 29.41 6 ATOMO 219 or GLY 428 -33,639 26,531 9,862 1.00 28.46 8 ATOM 220 N ALA 429 -35,062 27,445 8,389 1.00 27.48 7 ATOM 221 C? ALA 429 -35,824 26,226 8,210 1.00 27.39 6 ? TOMO 222 CB ALA 429 -36,979 26,513 7,239 1.00 25.91 6 ? TOMO 223 C ALA 429 -34.959 25,136 7,574 1.00 28.27 6 ATOM 224 OR ALA 429 -34,315 25,451 6,561 26.07 8 ATOM 225 N ARG 430 -35,060 23,915 8,064 23.97 7 ATOM 226 C? ARG 430 -34,303 22,811 7,490 1.00 27.17 6 ATOMO 227 CB? RG 430 -33,571 22,043 8,601 1.00 30.34 6 ATCMO 228 CG ARG 430 -32,574 22,776 9,460 1.00 34.05 6 ATOMO 229 CD? RG 430 -32,365 21,986 10,761 1.00 33.86 6 ATOM 230 NB ARG 430 -32,407 22,964 11,836 1.00 38.60 7 ÁTOMO 231 CZ ARG 430 -32,487 22,784 13,126 1.00 38.08 6 ATOMO 232 NH1 ARG 430 -32,567 21,568 13,635 1.00 36.51 7 ATOMO 233 NH2? RG 430 -32,467 23,876 13,879 1.00 46.13 7 ATOMO 234 C ARG 430 -35,194 21,718 6,880 1.00 26.70 6 ÁTOMO 235 OR ARG 430 -36,399 21,724 7,075 1.00 29.22 8 ÁTOMO 236 N SER 431 -34,573 20,737 6,246 1.00 26.85 7 TCMO 237 C? SBR 431 -35,315 19,582 5,738 1.00 26.56 6 ATOMO 238 CB SER 431 -34,682 19,020 4,476 1.00 25.03 6 ÁTOMO 239 OG SER 431 -34,562 19,991 3,477 1.00 27.59 8 ATONO 240 C SER 431 -35,273 18,545 6,861 1.00 26.58 6 ATOMO 241 OR SER 431 -34,396 18,620 7,739 1.00 23.91 8 ATOMO 242 N PRO 432 -36,163 17,558 6,839 1.00 23.48 7 ATOMO 243 CD PRO 432 -37,224 17,383 5,842 1.00 22.70 6 ATOMO 244 C? PRO 432 -36,176 16,516 7,861 1.00 24.75 6 ATOM 245 CB PRO 432 -37,621 16,036 7,805 1.00 24.34 6 ATOMO 246 CG PRO 432 -38,095 16,295 6,414 1.00 23.77 6 ATCMO 247 C PRO 432 -35,172 15,417 7,549 1.00 29.23 6 ATOMO 248 OR PRO 432 -35,472 14,257 7,223 1.00 28.28 8 ÁTOMO 249 N GLU 433 -33,913 15,745 7,709 1.00 29.77 7 ATOMO 250 C? GLU 433 -32,725 14,970 7,417 1.00 33.37 6 ÁTOMO 251 CBA GLU 433 -32,177 15,440 6,073 0.50 35.18 6 ATOM 252 CBB GLO 433 -32,123 15,409 6,084 0.50 31.98 6 ATOMO 253 CGA GLO 433 -30,795 16,037 5,952 O.SO 39.40 6 ATCMO 254 CGB GLU 433 -31,776 16,876 5,954 0.50 34.05 6 ATOMO 255 CDA GLU 433 -30,394 16,341 4,521 0.50 46.48 6 ATOM 256 CBD GLO 433 -31,601 17,333 4,517 0.50 34.67 6 ATOMO 257 OBI GLU 433 -29,268 16,010 4,076 O.SO 49.23 8 ÁTOMO 258 OBI GLU 433 -32,194 16,698 3,619 0.50 32.81 8 ATOMO 259 OB2 GLO 433 -31,232 16,914 3,788 0.50 47.50 8 ? TCMO 260 OB2 GLU 433 -30,877 18,324 4,275 O.SO 24.64 8 - ÁTOMO 261 C GLO 433 -31,683 15,177 8,519 1.00 32.61 6 ÁTOMO 262 OR GLU 433 -31,612 16,266 9,085 1.00 28.72 8 ÁTOMO 263 N SER 434 -30,844 14,184 8,743 1.00 32.15 7 ATOM 264 C? SER 434 -29,804 14,275 9,764 1.00 32.72 6 ÁTOMO 265 CB SER 434 -29,277 12,853 10,037 1.00 34.26 6 ATCMO 266 CG SER 434 -28,320 12,935 11,093 1.00 45.88 8 ATOMO 267 C SER 434 -28,668 15,192 9,332 00 30.93 6 ÁTOMO 268 OR SER 434 -28,156 15,983 10,124 00 28.87 8 ATOMO 269 N ASP 435 -28,222 15,093 8,082 00 28.02 7 ATOMO 270 C? SP 435 -27,167 16,008 7,599 00 28,62 6 ATOMO 271 CB ASP 435 -26,292 15,328 6,585 00 29.65 6 ATCMO 272 CG ASP 435 -25,357 14,227 7,057 1.00 37.43 6 ÁTOMO 273 OD1 ASP '435 -25,027 14,097 8,258 1.00 33.53 8 ÁTOMO 274 OD2? SP 435 -24,902 13,470 6,154 1.00 36.01 8 ÁTOMO 275 C ASP 435 -27,882 17,223 6,973 1.00 27.08 6 ÁTOMO 276 O ASP 435 -27,997 17,300 5,756 1.00 28.07 8 ÁTOMO 277 N SBR 436 -28,461 18,118 7,774 1.00 25.55 7 ATOMO 278 C? SER 436 -29,282 19,186 7,225 1.00 27.45 6 ÁTOMO 279 CB SBR 436 -30,440 19,435 8.213 1.00 34.87 6 ÁTOMO 280 OG SER 436 -29,973 20,064 9,405 1.00 39.51 8 TCMO 281 C SER 436 -28,558 20,484 6,890 1.00 27.14 6 ATOMO 282 OR SER 436 -29,143 21,445 6,363 1.00 25.67 8 ÁTOMO 283 N XLE 437 -27,293 20,643 7,231 1.00 24.64 7 ATOM 284 C? ILE 437 -26,580 21,893 6,977 1.00 24.33 6 ATOMS 285 CB XLB 437 -26,164 22,559 8,309 1.00 30.71 6 ÁTOMO 286 CG2 XLE 437 -25,561 23,935 8.032 1.00 26.94 6 ATOMO 287 CGl XLE 437 -27,333 22,645 9,308 1.00 21.66 6 ATOMO 288 CDl XLB 437 -28,443 23,588 8,867 1.00 27.66 6 ATOMO 289 C ILE 437 -25,336 21,707 6,128 1.00 24.08 6 ATCMO 290 OR IXJB 437 -24,515 20,833 6,390 1.00 23.50 8 ATOMO 291 N GLN 438 -25,122 22,552 5,127 1.00 24.52 7 TOMO 292 C? GLN 438 -23,862 22,570 4,399 1.00 23.13 6 ? TOMO 293 CB GLN 438 -24,016 22,798 2,905 1.00 29.28 6 ÁTOMO 294 CG GLN 438 -24,458 21,570 2,123 1.00 29.86 6 ÁTOMO 295 CD GLN 438 -24,692 21,901 0.661 1.00 33.48 6 ATOM. 296 OE1 GLN 438 -25,540 22,744 0.323 1.00 28.34 8 ÁTOMO 297 NE2 GLN 438 -23,922 21,198 -0,177 1.00 38.54 7 ÁTOMO 298 C GLN 438 -23,048 23,738 4,985 1.00 23.81 6 ATOMO 299 OR GLN 438 -23,598 24,844 5,087 1.00 22.62 8 ATOMO 300 N TRP 439 -21,807 23,480 5,371 1.00 21.43 7 ATOMO 301 CA TRP 439 -20,987 24,562 5,905 1.00 21.73 6 ATOM 302 CB TRP 439 -20,345 24,233 7,257 1.00 21.01 6 ATCMO 303 CG TRP 439 -21,264 24,233 8,430 1.00 17.58 6 ATOM 304 CD2 TRP 439 -21,721 25,343 9.212 1.00 17.00 6 ? TOMO 305 CE2 TRP 439 -22,569 24,833 10,220 1.00 16.71 6 ATOM 306 CE3 TRP 439 -21,495 26,719 9,158 1.00 21.47 6 ATOM 307 CD l TRP 439 -21,844 23,116 8,974 1.00 19.92 6 ÁTOMO 308 NEI TRP 439 -22,626 23,466 10,061 1.00 22.18 7 ATOMO 309 CZ2 TRP 439 -23,218 25,646 11,152 1.00 18.29 6 ATOM 310 CZ3 TRP 439 -22,109 27,537 10,091 1.00 21.62 6 ATOMO 311 CH2 TRP 439 -22,960 26,992 11,064 1.00 20.15 6 ATOMO 312 C TRP 439 -19,890 24,873 4,898 1.00 22.76 6 ATOM 313 OR TRP 439 -19,407 23,941 4,238 1.00 23.42 8 ATOM 314 N PHE 440 -19,533 26,165 4,758 1.00 22.91 7 TOMO 315 C? PHB 440 -18,512 26,477 3,754 1.00 26.86 6 ATOM 316 CB PHB 440 -19,121 27,144 2,513 1.00 24.16 6 ATOM 317 CG PHB 440 -20,225 26,437 1,788 1.00 23.96 6 ATOM 318 CDl PHB 440 -21,551 26,586 2,189 1.00 23.61 6 ATOM 319 CD2 PHB 440 -19,945 25,622 0.696 1.00 22.47 6 ATOM ° 320 CEI PHB 440 -22,564 25,947 1,504 1.00 20.83 6 ÁTOMO 321 CE2 PHE 440 -20.967 24.986 0.020 1.00 21.69 6 ÁTOMO 322 CZ PHB 440 -22,267 25,126 0.432 1.00 21.86 6 ÁTOMO 323 C PHB 440 -17,466 27,431 4,349 1.00 23.51 6 ATQM ° 324 OR PHE 440 -17,838 28,278 5,151 1.00 21.94 8 ATOMO 325 N HXS 441 -16,232 27,291 3,905 1.00 21.59 7 ATOM 326 C? HXS 441 -15,107 28,095 4,366 1.00 24.07 6 ATOM 327 CB HIS 441. -14,032 27,294 5,099 1.00 18.72 6 ÁTOMO 328 CG HIS 441 -12,864 28,139 5,548 1.00 23.41 6 ATOM0 329 CD2 HIS 441 -12,794 29,451 5,899 1.00 21.85 6 ATOM ° 330 ND1 HIS 441 -11,588 27,648 5,709 1.00 21.97 7 ATOM0 331 CEI HIS 441 -10.789 28.607 6.135 1.00 22.79 6 ATOM0 332 NB2 HIS 441 -11,504 29,705 6,268 1.00 21.87 7 ? TOMP 333 C HXS 441 -14,455 26,703 3,115 1.00 21.83 6 ? TCMP 334 OR HIS 441 -13.972 27.947 2.282 1.00 21.37 8 ATOMUS 335 N? SN 442 -14,576 30,019 2,959 1.00 22.08 7 ATOM 336 C? ASH 442 -14,077 30,670 1,726 1.00 20.46 6 ATOMO 337 CB ASH 442 -12,562 30,544 1,722 1.00 18.21 6 ? TOMO 338 CG? SH 442 -11.925 31.469 2.761 1.00 22.74 6 ATOMO 339 OD1 ASH 442 -12,473 32,523 3,087 1.00 24.40 8 ATOM 340 HD2 ASH 442 -10,804 31,062 3,341 1.00 18.43 7 ÁTOMO 341 C? SH 442 -14,733 30,055 0.488 1.00 21.32 6 ÁTOMO 342 O? SH 442 -14,085 29,819 -0,533 1.00 20.13 8 ATOMO 343 H GLY 443 -16,002 29,646 0.S6B 1.00 20.53 7 ATOM 344 C? GLY 443 -16,767 29,005 -0,480 1.00 20.83 6 ATOMO 345 c GLY 443 -16,586 27.506 -0.661 1.00 24.51 6 ÁTOMO 346 0 GLY 443 -17,209 26,879 -1.S50 1.00 25.30 8 ÁTOMO 347 H ASH 444 -15,633 26,896 0.051 1.00 21.27 7 ATOMO 348 C? ASH 444. -15,391 25,473 -0,112 1.00 20.46 6 ÁTOMO 349 CB ASH 444 -13,903 25,132 0.000 1.00 23.82 6 ATOMO 350 CG ASH 444 -13,049 26,032 -0,891 1.00 22.26 6 ATOMO 351 OD1 ASH 444 -12,148 26,722 -0,409 1.00 25.47 8 ATOM 3S2 ND2? SN 444 -13,382 26,079 -2,171 1.00 21.59 7 ÁTOMO 353 C? SN 444 -16,208 24,723 0.937 1.00 19.78 6 ATOMO 354 OR ASH 444 -16,180 25,088 2.107 1.00 22.07 8 ATOMO 355 N LEU 445 -16,907 23,678 0.523 1.00 22.22 7 ATOMUM 356 C? LEO 445 -17,730 22,904 1,459 1.00 21.67 6 ATOMO 357 CB LEO 445 -18,391 21,725 0.715 1.00 28.15 6 ATOMO 358 CG LEO 445 -19,159 20,695 1,538 1.00 29.14 6 ATOMO 359 CDl LEO 445 -20,479 21,295 2,002 1.00 25.07 6 ATOMO 360 CD2 LEO 445 -19,452 19,400 0.775 1.00 28.51 6 ATCMO 361 C LEO 445 -16,825 22,307 2,525 1.00 22.27 6 ATOMO 362 OR LEO 445 -15,748 21,869 2,118 1.00 20.13 8 ATOMUM 363 N ILE 446 -17,263 22,262 3,766 1.00 20.11 7 ATOM 364 C? XLE 446 -16,539 21,544 4,835 1.00 24.64 6 ATOM 365 CB XLB 446 -16,657 22,358 6,132 1.00 22.24 6 ATOM 366 CG2 XLB 446 -16,007 21,732 7,358 1.00 21.33 6 ATOMO 367 CGl XLE 446 -16,111 23,794 5,945 1.00 20.74 6 ATOMO 368 CDl XLB 446 -16,664 24,719 7,024 1.00 20.48 6 ? VOLUME 369 C XLB 446 -17,351 20,241 5,006 1.00 25.53 6 ATOM 370 OR ILE 446 -18,419 20,266 5,624 1.00 22.91 8 ? TOMO 371 N PRO 447 -16.937 19.119 4.444 1.00 30.56 7 TCMO 372 CD PRO 447 -15,704 18,982 3,620 1.00 32.61 6 ATOM 373 C? PRO 447 -17,731 17,898 4,434 1.00 30.93 6 ATOMO 374 CB PRO 447 -17,030 17,030 3,363 1.00 31.28 6 ATOM 375 CG PRO 447 -15,610 17,466 3,441 1.00 32.54 6 ÁTOMO 376 C PRO 447 -17,888 17,104 5,706 1.00 28.32 6 ATOMO 377 OR PRO 447 -18,733 16,196 5,747 1.00 29.24 8 ÁTOMO 378 H THR 446 -17,092 17,353 6,730 1.00 26.79 7 ATOM 379 C? THR 448 -17,135 16,568 7,971 1.00 26.97 6 ÁTOMO 380 CB THR 448 -15,698 16,543 8,532 1.00 31.78 6 ? VOLUME 3B1 OG1 THR 448 -15,241 17,908 8,520 1.00 31.45 8 ATOM 382 CG2 THR 448 -14,798 15,716 7,605 1.00 27.40 6 ATCMO 383 C THR 448 -18,075 17,109 9,021 1.00 26.31 6 ATCMO 384 OR THR 448 -18,206 16.S32 10,113 1.00 28.00 8 ATOMO 385 N HXS 449 -18,698 18,264 8,772 1.00 24.44 7 ATCMO 386 C? HIS 449 -19,612 18,924 9.707 1.00 24.19 6 ATOMO 387 CB HXS 449 -18,953 20.2S6 10,174 1.00 25.11 6 ÁTOMO 388 CG HXS 449 -17,722 19,927 10,961 1.00 22.20 6 ATOMO 389 CD2 HXS 449 -16,430 19,757 10,624 1.00 27.86 6 ATOMO 390 HD1 HIS 449 -17,809 19,641 12,306 1.00 29.80 7 ATCMO 391 CEI HIS 449 -16,595 19,340 12,762 1.00 28.91 6 ATOMO 392 NE2 HXS 449 -15,748 19,392 11,761 1.00 25.35 7 ATOM 393 c HXS 449 -20,923 19,278 9,041 1.00 23.08 6 ÁTOMO 394 or HIS 449 -20,942 20,061 8.075 1.00 20.57 8 ATOMO 395 N THR 450 -22,038 18,704 9,497 1.00 25.11 7 ATOM 396 C? THR 450 -23,321 18,892 8,807 1.00 22.98 6 ATOMO 397 CB THR 450 -23,732 17,552 8,137 1.00 23.01 6 ATCMO 398 OG1 THR 450 -23,843 16,614 9,231 1.00 18.66 8 ATOM 399 CG2 THR 450 -22,757 17,049 7,101 1.00 19.07 6 ATOM ° 400 C THR 450 -24,460 19,221 9.766 1.00 24.61 6 ATOM ° 401 OR THR 450 -25,640 19,094 9,393 1.00 26.17 8 TON ° 402 H GLN 451 -24,126 19,592 10,985 1.00 24.52 7 ATOM ° 403 C? GLN 451 -25,132 19,887 11,995 1.00 27.31 6 ATOM ° 404 CB GLN 451 -24,708 19,361 13,378 1.00 28.63 6? TON ° 405 CG GLN 451 -24,438 17,852 13,378 1.00 32.81 6 ATONO 406 CD GLN 451 -25,677 17,056 12,995 1.00 38.53 6 ATOMO 407 OBI GLN 451. -26,606 16,914 13,980 1.00 37.60 8 ÁTOMO 408 NE2 GLN 451 -25,724 16,535 11,765 1.00 32.79 7 ATOMO 409 C GLN 451 -25,411 21,379 12,101 1.00 26.69 6 ÁTOMO 410 O GLN 451 -24,626 22,230 11,689 1.00 26.27 8 ATON 411 N PRO 452 -26,510 21,728 12,769 1.00 25.16 7 ATOMO 412 CD PRO 452 -27.553 20.775 13.270 1.00 24.54 6 ATOM 413 C? PRO 452 -26,917 23,103 12,974 1.00 25.24 6 ATOM 414 CB PRO 452 -28,264 22,978 13,708 1.00 26.09 6 ATOM 415 CG PRO * 452 -28,804 21,649 13,257 1.00 23.35 6 ATCMO 416 C PRO 452 -25,900 23,951 13,722 1.00 25.71 6 ATOM 417 OR PRO 452 -25,877 25,179 13,542 1.00 21.61 8 ATOMO 418 H SER 453 -25,044 23,369 14,556 1.00 24.05 7 ATOM 419 C? SER 453 -23,991 24,093 15,239 1.00 25.63 6 ÁTOMO 420 CB SER 453 -24,105 24,155 16,758 1.00 31.86 6 ÁTOMO 421 OG SER 453 -24,778 25,371 17,094 1.00 42.46 8 ATOMO 422 C SER 453 -22,681 23,406 14,854 1.00 24.85 6 ÁTOMO 423 OR SER 453 -22,681 22,193 14,691 1.00 23.68 8 ATCMO 424 H TYR 454 -21,658 24,177 14,614 1.00 24.52 7 ATOMO 425 C? TYR 454 -20.333 23,699 14,212 1.00 26.29 6 ATOMO 426 CB TYR 454 -20,050 23,980 12,729 1.00 26.92 6 ATOMUM 427 CG TYR 454 -18,612 23,868 12,274 1.0030.15 6 ATOM 428 CDl TYR 454 -17,719 22,961 12,825 1.0029.18 6 ATOM 429 CEI TYR 454 -16,407 22,860 12,409 1.00 31.26 6 ATOM 430 CD2 TYR 454 -18,104 24,700 11,280 1.0031.67 6 ATOM 431 CE2 TYR 454 -16,796 24,649 10,855 1.00 31.66 6 ? TOMO 432 CZ TYR 454 -15.950 23.71S 11,429 1.00 33.63 6 ? TOMO 433 OH TYR 454 -14,624 23,647 11,038 1.00 34.53 8 ATOMO 434 C TYR 454 -19,378 24,416 15,167 1.0024.84 6 ATOMO 435 OR TYR 454 -19,300 25,656 15,129 1.00 22.53 8 ÁTOMO 436 N ARG 455 -18,773 23,685 16,070 1.0021.66 7 ATOMO 437 CA? RG 455 -17,864 24,216 17,070 1.0023.60 6 ATCMO 438 CB? RG 455 -18,242 23,709 18,480 1.00 25.95 6 ATOMO 439 CG ARG 455 -17,478 24,526 19,551 1.00 23.98 6 ATOMO 440 CD ARG 455 -17,651 23,884 20,918 1.0035.38 6 ÁTOMO 441 NE? RG 455 -16,821 24,501 21,956 1,0027.47 7 ATOMO 442 CZ? RG 455 -17,278 25,336 22,879 1.0033.10 6 ATOMO 443 NH1 ARG 455 -18,570 25,657 22,904 1.00 30.00 7 ÁTOMO 444 NH2 ARG 455 -16,418 25,817 23,778 1.00 32.66 7 ATOMO 445 C ARG 455 -16,434 23,763 16,802 1.0027.49 6 ATCMO 446 O? RG 455 -16,275 22,554 16,569 1.00 22.62 8 ÁTOMO 447 N PHE 456 -15,455 24,692 16,881 1.00 23.78 7 ATOM 448 C? PHE 456 -14,092 24,230 16,510 1,0021.92 6 ÁTOMO 449 CB PHE 456 -13,716 24,371 15,036 1.00 25.99 6 TCMO 450 CG PHB 456 -13.819 25.735 14.386 1.00 20.84 6 ? TOMO 451 CDl PHE 456 -15,019 26,213 13,897 1.0021.33 6 ÁTOMO 452 CD2 PHE 456 -12,705 26,547 14,264 1.00 20.31 6 ATOMO 453 CEI PHB 456 -15,103 27,451 13,283 1.0021.52 6 ATOMO 454 CB2 PHE 456 -12,768 27,789 13,680 1.00 18.36 6 ATOMO 455 CZ PHE 456 -13,973 28,250 13,159 1.00 18.38 6 ÁTOMO 456 C PHE 456 -13,095 25,004 17,372 1.0023.93 6 ATCMO 457 OR PHE 456 -13,454 26,033 17,921 1.00 22.42 8 ATOMO 458 N LYS 457 -11,865 24,526 17,423 1.00 22.46 7 ATCMO 459 C? LYS 457 -10,735 25,207 18,054 1.0024.34 6 ATOM 460 CBA LYS 457 -9,892 24,246 18. BBl 0.5028.51 6 ÁTOMO 461 CBB LYS 457 -9,822 24,139 18,669 0.50 22.87 6 ÁTOMO 462 CGA LYS 457 -10,656 23,568 20,010 0.5033.64 6 ATOMO 463 CGB LYS 457 -8,769 24,658 19,632 0.5024.29 6 ÁTOMO 464 COA LYS 457 -11,436 24,524 20,892 O.SO 40.75 6 ATOMO 465 CDB LYS 457 -8,631 23,680 20,798 O.SO 26.90 6 ATCMO 466 CEA LYS 457 -12,612 23,876 21,603 0.50 43.07 6 ATOMO 467 CEB LYS 457 -9,138 24,262 22,092 0.50 29.79 6 TCMO 468 NZA LYS 457 -12,703 24,236 23,044 0.5051.71 7 ATOMO 469 NZB LYS 457 -8,050 24,601 23,060 O.SO 36.22 7 ATOM 470 C LYS 457 -9,950 25,943 16,969 1.0021.30 6 ? TOMO 471 OR LYS 457 -9,436 25,315 16,052 1.00 19.46 8 ATCM ° 472 H ALA 458 -9,928 27,278 16,945 1.00 18.23 7 ATOM 473 C? ALA 458 -9,341 28,002 15,821 1.00 15.74 6- ATCM ° 474 CB ALA 458 -9,612 29.505 16,094 1.00 9.09 6 ATOM ° 475 C ALA 458 -7,841 27,832 15,614 1.00 20.26 6 ATOMP 476 0 ALA 458 -7,067 27,802 16,574 1.00 18.04 8 ÁTOMO 477 N? SN 459 -7,392 27,740 14,367 1.00 18.31 7 ATOM ° 478 C? ? SN 459 -5,986 27,795 14,019 1.0023.04 6 ATOM ° 479 CB? SN 459 -5,222 26,565 13,612 1.0032.39 6 ATOMO 480 CG? SN 459. -5,880 25,223 13,665 1.0038.26 6 ATOM 481 OD1? SN 459 -5,855 24,587 14,716 1.00 42.50 8 ATOMO 482 ND2? SN 459 -6,426 24,800 12,529 1.00 43.39 7 ATOMO 483 C? SN 459 -5,825 28,814 12,867 1.00 24.07 6 ATOMUM 484 OR ASH 459 -6,794 29,390 12,365 1.0021.25 8 ATOMO 485 N ASN 460 -4,582 29,033 12,484 1.00 24.40 7 ATOMO 486 C? ? SN '460 -4,192 30,043 11,519 1.00 31.47 6 ATOMO 487 CB? SN 460 -2,680 29,973 11,234 1.00 31.46 6 ATOM 488 CGA ASN 460 -2,272 31,090 10,274 0.5031.26 6 ATOMO 489 CGB? SN 460 -2,221 28,594 10,814 0.50 35.72 6 ATOM 490 OD1 ASN 460 -2,337 32,284 10,597 0.50 22.52 8 ATOM 491 OD1 ASH 460 -2,985 27,626 10,768 0.5033.04 8 TCMO 492 ND2? SN 460 -1,863 30,691 9,070 0.50 26.04 7 ? TOMO 493 ND2? SN 460 -0.932 28,475 10,483 0.50 39.47 7 ATCMO 494 C? SN 460 -5,006 29,923 10,234 1.0029.05 6 ATOM 495 OR ASN 460 -5,645 30,880 9.780 1.0032.27 8 ÁTOMO 496 N ASN 461 -5,098 28,713 9.710 1.0030.20 7 ATOMO 497 CAÁ ASN 461 -5,863 28,379 8,529 O.SO 28.68 6? TCMO 498 CAB ASN 461 -5,857 28,499 8,477 0.5029.13 6 ATOMO 499 CBA ASN 461 -5,564 26,911 8,150 0.50 26.19 6 ATOMO 500 CBB ASN 461 -5,403 27,195 7,806 0.50 30.25 6 ATCMO SOI CGA ASN 461 -4,101 26,739 7,792 0.50 27.01 6 ATOM 502 CGB? SN 461 -5,608 25,984 8.678 0.50 32.36 6 ? TOMO 503 OD1 ASN 461 -3.502 25.741 8.1B4 0.50 28.58 8 ATOMO 504 OD1 ASN 461 -6,383 26,046 9,637 0.50 33.38 8 ATCMO 505 ND2 ASN 461 -3,526 27,694 7,071 0.50 34.39 7 ATCMO 506 ND2 ASH 461 -4,927 24,875 8,384 O.SO 33.52 7 ATOMO 507 C ASH 461 -7,371 28,530 8,628 1.00 25.33 6 ATOM 508 0 ASN 461 -8,030 28,331 7,617 1.00 21.46 8 ATCMO. 509 N ASP 462 -7,932 28.8B8 9.767 1.00 24.89 7 ATOMO 510 C? ASP 462 -9,373 29,024 9,941 1.00 21.37 6 ATOMO 511 CB ASP 462 -9,749 28,582 11,372 1.00 16.89 6 ATOMO 512 CG ASP 462 -9,620 27,084 11,538 1.00 26.20 6 ATCMO 513 ODl ASP 462 -9,824 26,317 10,570 1.00 20.81 8 ATOM 514 OD2 ASP 462 -9,276 26,593 12,611 1.00 17.90 8 ATOM 515 C? SP 462 -9,887 30,427 9.645 1.00 18.69 6 ATOMO 516 O? SP 462 -11,104 30,657 9,654 1.00 20.50 8 ATOMO 517 N SER 463 -9,011 31.3B9 9.394 1.00 19.81 7 ATOM 518 C? SER 463 -9,434 32,734 9,015 1.00 19.84 6 ATOM 519 CB SER 463 -8,268 33,702 8,811 1.00 22.04 6 ATOMO 520 OG SER 463 -7,506 33,848 10,009 1.00 20.02 8 ATOMO 521 C SER 463 -10,196 32,662 7,682 1.00 23.89 6 ATOM 522 OR SER 463 -10,015 31,706 6,911 1.00 17.92 8 ATOMO 523 H GLY 464 -11,056 33,671 7,467 1.00 19.50 7 ATOMO 524 C? GLY 464 -11,769 33,675 6,190 1.00 22.23 6 ATOM 525 C GLY 464 -13,272 33,901 6,340 1.00 19.81 6 ATOM 526 0 GLY 464 -13,744 34,302 7,399 1.00 18.93 8 ATOM 527 N GLO 465 -13,980 33,640 5,238 1.00 17.01 7 ATOM 528 C? GLÜ 465 -15,428 33,853 5,269 1.00 21.39 6 ATOMO 529 CBA GLO 465 -15,934 34,304 3,901 0.50 13.64 6 ATCMO 530 CBB GLU 465 -15.933 34.420 3.947 0.50 23.81 6 ATOMO 531 CGA GLU 465 -16,507 35,708 3.813 0.50 15.71 6 ? TOMO 532 CGB GLU 465 -15,409 35,807 3,602 O.SO 32.15 6 ATOM 533 CD? GLU 465 -16,656 36,187 2,381 O.SO 22.33 6 ATOMO 534 CDB GLU 465 -15,898 36,901 4,520 O.SO 40.56 6 ATOMUM 535 OE1 GLU 465 -17,428 35,603 1,586 0.50 22.70 8 ÁTOMO 536 OE1 GLU 465 -16,578 36,595 5,525 0.50 41.83 8 ATOMO 537 OE2 GLU 465 -15,991 37,180 2,014 O.SO 31.04 8 ? VOLUME 538 OE2 GLO 465 -15,624 38,108 4,278 0.50 46.02 8 ATOMUM 539 C GLU 465 -16,155 32,542 5,593 1.00 21.56 6 ATOMO 540 O GLU 465 -15,756 31,541 5,007 1.00 21.41 8 ATOMS 541 H TYR 466 -17,172 32,598 6,458 1.00 21.38 7 ATOM 542 C? TYR 466 -17,966 31,383 6,691 1.00 17.91 6 ATOMO 543 CB TYR 466 -17,954 30,882 8,129 1.00 17.39 6 ATOMO 544 CG TYR 466 -16,620 30,303 8,534 1.00 18.08 6 ATOMO 545 CDl TYR 466 -15,605 31,180 8,957 1.00 18.56 6 ATCMO 546 CEI TYR 466 -14,369 30,719 9,323 1.00 16.48 6 ? TOMO 547 CD2 TYR 466 -16,348 28,945 8,485 1.00 18.23 6 ATOM 548 CE2 TYR 466 -15,102 28,484 8,867 1.00 18.37 6 ATOMO 549 CZ TYR 466 -14,124 29,350 9,279 1.00 18.98 6 TCMO 550 OH TYR 466 -12,872 28,927 9,624 1.00 14.14 8 ? TOMO 551 C TYR 466 -19.379 31,635 6.212 1.00 13.96 6 ATCMO 552 O TYR 466 -19,923 32,731 6,353 1.00 18.14 8 ATCMO 553 N THR 467 -20,010 30,638 5.56B 1.00 17.95 7 ATOMO 554 C? THR 467 -21,374 30,728 5,117 1.00 18.06 6 ? TOMO 555 CB THR 467 -21,514 31,022 3,599 1.00 22.52 6 ATOM 556 OG1 THR. 467 -20,669 30,129 2,835 1.00 16.85 8 ÁTOMO 557 CG2 THR 467 -21,215 32.49S 3,309 1.00 17.46 6 ATOMO 558 C THR 467 -22,044 29,358 5,384 1.00 18.76 6 ATOMO 559 OR THR 467 -21,354 28,351 5,567 1.00 17.47 B ? VOLUME 560 N CYS 468 -23,354 29,326 5,389 1.00 19.74 7 ATOMO 561 C? CYS 468 -24,099 28,074 5,597 1.00 23.50 6 ATOMO 562 c CYS 468 -25,382 28,107 4,758 1.00 23.12 6 ATOMS 563 or CYS 468 -25,791 29,154 4,279 1.00 25.07 B ATCMO 564 CB CYS 468 -24,434 27,784 7,055 1.00 18.70 6 ATOMO 565 SG CYS 468 -25,675 28,881 7,798 1.00 23.45 16 ÁTOMO 566 N GLN 469 -25,975 26,946 4,534 1.00 24.47 7 ATOM 567 C? GLN 469 -27,174 26,745 3,770 1.00 24.99 6 ATOMO 568 CB GLN 469 -26,909 26,522 2,264 1.00 27.22 6 ATOMS 569 CG GLN 469 -28,155 26,809 1,419 1.0025.14 6 ATCMO 570 CD GLN 469 -27,857 26,844 -0,065 1.0032.43 6 ÁTOMO 571 OBI GLN 469 -26,710 26,700 -0,487 1.0031.34 8 ATOMO 572 HB2 GLN 469 -28.B96 27,052 -0,874 1.0027.89 7 ÁTOMO 573 C GLN 469 -27,901 25,483 4,266 1.0027.60 6 ATOMO 574 OR GLN 469 -27,289 24,514 4,734 1.0025.37 8 ÁTOMO 575 H THR 470 -29,206 25,548 4,115 1,0028.73 7 TCMO 576 C? THR 470 -30,059 24,401 4,439 1.0032.10 6 TCMO 577 CB THR 470 -31,125 24,713 5,491 1.00 33.36 6 ÁTOMO 578 OG1 THR 470 -30,619 25,555 6,553 1.00 45.26 B TCMO 579 CG2 THR 470 -31,453 23,422 6.210 1.0050.20 6 ATOMO 580 C THR 470 -30,737 23,976 3,138 1.0032.77 6 ATCMO 581 OR THR 470 -30,680 24,696 2,130 1.00 30.75 8 TOMO 582 H GLY 471 -31,472 22,859 3,175 1.0031.83 7 ATOM 583 C? GLY 471 -32,224 22,397 2,033 1,0027.97 6 ATCMO 584 c GLY 471 -33,376 23,322 1,690 1.0029.94 6 ATOMO 585 or GLY 471 -33,938 23,198 0.596 1.0032.37 8 ÁTOMO 586 N GLN 472 -33,842 24,159 2,594 1.0024.86 7 ATOMO 587 C? GLN 472 -34,920 25,087 2,457 1.0027.14 6 ATOMO 588 CB GLN 472 -35,868 24,892 3,667 1.0027.31 6 ATCMO 589 CG GLN 472 -36,291 23,415 3,825 1,0030.51 6 ATCMO 590 CD GLN 472 -36,961 22,871 2,567 1.00 30.53 6 ATOMO 591 OBI GLN 472 -37,981 23,425 2,161 1,0039.95 8 ? VOLUME 592 NE2 GLN 472 -36,402 21,852 1.944 1.0031.16 7 ? TOMO 593 C GLN 472 -34,530 26,561 2,441 1,0029.60 6 ATOMUM 594 OR GLN 472 -35,419 27,424 2,578 1.00 30.82 8 ATOMUS 595 N THR 473 -33,248 26,912 2,380 1.0025.83 7 TCMO 596 C? THR 473 -32,861 28,317 2,426 1,0026.62 6 TCMO 597 CB THR 473 -32,278 28,731 3,792 1.0026.64 6 ATCMO 598 OG1 THR 473 -31,226 27,815 4.138 1.0027.54 8 ATOM 599 CG2 THR 473 -33,313 28,742 4-897 1.0028.16 6 ATCMO 600 C THR 473 -31,824 28,643 1,371 1.0026.31 6 ATCMO 601 OR THR 473 -31,210 27.756 0.776 1.00 28.00 8 ATOM 602 N SER 474 -31,685 29,939 1,074 1.0028.62 7 ATOM 603 C? SBR 474 -30,592 30,261 0.112 1.0029.44 6 ATOM 604 CB SER 474 -31,020 31,396 -0,803 1.0030.45 6 ATOM 605 OG SER 474 -31,407 32,467 0.034 1.00 41.05 8 ATOMO 606 C SER 474 -29,366 30,471 0.992 1.00 26.65 6 ATOMO 607 OR SER 474 -29,461 30,428 2,228 1.00 25.57 8 ATOMO 608 N LEU 475 -28,178 30,585 0.442 1.0029.47 7 ATOM 609 C? LEU 475 -26,915 30,703 1,158 1.0025.10 6 ? TOMO 610 CB LEU 475 -25.749 30.725 0.159 1.0027.83 6 ATOM 611 CG LEU 475 -24,348 30,730 0.777 1.0027.24 6 TCMO 612 CDl LEU 475 -23,888 29,312 1,094 1.00 24.13 6 ? TOMO 613 CD2 LEU 475 -23.349 31.446 -0.133 1.0024.42 6 ATCMO 614 C LEU 475 -26,884 31,893 2,087 1,0025.84 6 ATOM 615 OR LEU 475 -27,300 33,008 1,711 1,0022.45 8 ATOM 616 N SER 476 -26,376 31,708 3,315 1.0023.31 7 ATOMO 617 C? SBR 476 -26,357 32,857 4.219 1.0025.20 6 ATCMO 618 CB SER 476 -25,916 32,464 5,644 1.00 26.64 6 ATOM 619 OG SER 476 -24,514 32,203 5,624 1,0029.43 8 ATOMO 620 C SER 476 -25,346 33,911 3,738 1.0023.00 6 ATOMO 621 OR SER 476 -24,431 33,562 3,006 1.0021.02 ß ATCMO 622 H? SP 477 -25,506 35,127 4,241 1.0022.24 7 ATOMO 623 C? ? SP 477 -24,493 36,154 4,094 1.0026.03 6 ATOM 624 CB ASP 477 -24,907 37,504 4,683 1.0020.27 6 ATOMO 625 CG ASP 477 -25,914 38,190 3,758 1.0025.73 6 ATCMO 626 OD1 ASP 477 -25,821 37,973 2,541 1.0023.79 8 ATOM 627 OD2? SP 477 -26,769 38,912 4,292 1.00 28.92 8 ATOM 628 C ASP "477 -23,267 35,675 4,929 1,0025.85 6 ATCMO 629 OR ASP 477 -23,423 34,962 5,914 1.0024.00 8 ATCMO 630 N PRO 478 -22,098 36,108 4,492 1.00 27.37 7 ATOM 631 CD PRO 478 -21,917 36,949 3,275 1.0026.84 6 ATCMO 632 C? PRO 478 -20,849 35,736 5,098 1.0025.42 6 ATOMO 633 CB PRO 478 -19,795 36,274 4.141 1.00 28.38 6 ATCMO 634 CG PRO 478 -20,453 37,280 3,272 1.00 27.24 6 ? TCMO 635 C PRO 478 -20,575 36,310 6,479 1.0025.28 6 TCMO 636 OR PRO 478 -21,006 37,407 6,820 1,0023.68 8 TCMO 637 N VAL 479 -19,833 35,535 7,265 1.0020.24 7 ATCMO 638 C? VAL 479 -19,287 36,005 8,535 1.00 18.86 6 ATOM 639 CB VAL 479 -19,850 35,350 9,783 1.00 19.49 6 ATOM 640 CGl VAL 479 -19,042 3,627 11,046 1.00 22.25 6 ATOMO 641 CG2 VAL 479 -21,275 35,907 10,036 1.00 21.95 6 ÁTOMO 642 C VAL 479 -17,777 35,820 8,399 1.00 19.76 6 ATOMO 643 O VAL 479 -17,283 34,736 8,076 1.00 22.34 8 ÁTOMO 644 N HXS 480 -17,024 36,911 8,566 1.00 19.43 7 ATOM 645 C? HXS 480 -15,584 36,890 8,387 1.00 IB .11 6 ATOMUM 646 CB HIS 480 -15,130 38.24S 7,784 1.00 26.87 6 ATOM 647 CG HXS 480 -13,712 38,112 7.293 1.00 31.93 6 ATOMO 648 CD2 HXS 480 -13,194 37,883 6.069 1.00 27.05 6 TCMO 649 ND1 HXS 480 -12,637 38,169 8.176 1.00 34.35 7 • TCMO 650 CEI HXS 480 -11,525 38,019 7.480 1.00 34.80 6 ATOM. 651 NB2 HXS 480 -11,831 37,850 6,210 1.00 34.81 7 ÁTOMO 652 C HXS 480 -14,865 36,679 9,716 1.00 23.08 6 ATOMO 653 OR HXS 480 -15,096 37,370 10.709 1.00 23.37 8 ATOMO 654 H LEO 481 -13,953 35,728 9,747 1.00 19.18 7 ATOMO 655 C? LEO 481 -13,244 35,388 10,957 1.00 21.58 6 ÁTOMO 656 CB LEU 481 -13,567 33,929 11,331 1.00 1B .20 6 ATOMO 657 CG LEO 481 -12,847 33,485 12,605 1.00 IB .21 6 ATOMO 658 CDl LEO 481 -13,496 34,158 13,812 1.00 19.39 6 ATOM 659 CD2 LEO 481 -12,865 31,954 12,696 1.00 14.76 6 ATOMO 660 C LEO 481 -11,747 35,611 10,783 1.00 19.36 6 ATOMO 661 OR LEU 481 -11,225 35,323 9.720 1.00 20.96 8 ATOMO 662 N THR 482 -11,100 36,177 11,793 1.00 19.61 7 ATOMO 663 C? THR 482 -9,642 36,403 11,680 1.00 18.45 6 ATOMO 664 CB THR 482 -9,316 37,916 11,683 1.00 25.98 6 ? VOLUME 665 OG1 THR 482 -9,907 38,515 10,527 1.00 18.89 8 ATOM 666 CG2 THR 482 -7,795 38,091 11,666 1.00 24.98 6 ATOM 667 C THR 482 -B.971 35,766 12.891 1.00 16.02 6 ATOMO 668 OR THR 482 -9,248 36,131 14,035 1.00 14.79 8 ? TOMO 669 N VAL 483 -8,075 34,821 12,647 1.00 16.23 7 ATOM 670 C? VAL 483 -7,451 34.108 13.753 1.00 16.97 6 ATOM 671 CB VAL 483 -7,559 32,584 13,530 1.00 12.81 6 ATOM 672 CGl VAL 483 -7,051 31,894 14,799 1.00 1S.92 6 ? TOMO 673 CG2 VAL 483 -8.986 32.106 13.246 1.00 11.78 6 ATOMO 674 C VAL 483 -6,020 34.602 13.892 1.00 19.97 6 ATOMO 675 O VAL 483 -5,261 34,537 12,918 1.00 18.57 8 ATOM 676 H LEO 484 -5,686 35,110 15,075 1.00 16.89 7 ATOM 677 C? LEU 484 -4,372 35,678 15,312 1.00 19.89 6 ATCMO 678 CB LEU 484 -4,621 37,080 15,890 1.00 18.15 6 ATOMO 679 CG LED 484 -5.491 38.003 15.021 1.00 23.40 6 ATOMO 680 CDl LEU 484 -5,927 39,176 15,868 1.00 25.20 6 ATOMO 681 CD2 LEU 484 -4,752 38,470 13,958 1.00 20.46 6 ? TCMO 682 C LEU 484 -3,487 34,850 16,228 1.00 22.29 6 ÁTOMO 683 OR LEU 484 -3.928 33.975 16.975 1.00 23.90 8 ÁTOMO 684 H PHE 485 -2,189 35,116 16,218 1.00 21.03 7 ATCMo 685 C? PHE 485 -1,254 34,422 17,111 1.00 22.92 6 ATOMO 686 CB PHE 485 -0,399 33,435 16,333 1.00 21.76 6 ATOMO 687 CG PHB 485 0.440 32.516 17.184 1.00 27.90 6 ? TOMO 688 CDL FHE 485 -0.103 31,853 18,266 1.00 28.30 6 ATOM 689 CD2 PHE 485 1,787 32,333 16,899 1.00 26.61 6 ? TOMO 690 CEI PHE 485 0.664 30.992 19.040 1.00 29.65 6 ATOMO 691 CB2 PHE 485 2,559 31,480 17,668 1.00 25.61 6 ATOMO 692 CZ PHE 48S 1,996 30,819 18,733 1.00 28.75 6 ATOMO 693 C PHE 485 -0.455 35.467 17. B52 1.00 21.99 6 ATCMO 694 OR PHE 485 0.642 35.866 17.426 1.00 22.11 8 ÁTOMO 695 N GLU 486 -1,023 35,983 18,938 1.00 20.76 7 ATCMO 696 C? GLO 486 -0.421 37.104 19.702 1.00 18.04 6 ATOMO 697 CB GLU 486 -1,142 38,403 19,210 1.00 20.84 6 ÁTOMO 698 CG GLU 486 -0.711 39,051 17,911 1.00 25.05 6 ATOM 699 CD GLU 486 -1,647 39,818 17,019 1.00 41.96 6 ÁTOMO 700 OBI GLO 486 -2,719 40,359 17,416 1.00 46.14 8 ÁTOMO 701 OE2 GLO 486 -1,429 39,973 15,765 1.00 40.77 8 ÁTOMO 702 C GLU 486 -0,694 36,840 21,176 1.00 18.46 6 ATOMO 703 OR GLU 486. -1,588 36,027 21,462 1.00 16.67 8 ? TOMO 704 H TRP 487 -0.031 37,458 22,156 1.00 12.60 7 ATOM 705 C? TRP 487 -0.328 37.235 23.553 1.00 13.01 6 ATOMO 706 CB TRP 487 0.808 37.810 24.411 1.00 18.40 6 ATOMO 707 CG TRP 487 1,922 36,843 24,687 1.00 21.87 6 ÁTOMO 708 CD2 TRP 487 1,812 35,690 25,521 1.00 21.14 6 ATOM 709 CE2 TRP 487 3,065 35,061 25,526 1.00 24.31 6 ATOM 710 CE3 TRP 487 0.767 35.128 26.255 1.00 24.84 6 ATOM 711 CDl TRP 487 3,216 36,881 24,231 1.0022.52 6 ATOMO 712 NEI TRP 487 3,907 35,797 24,734 1.00 22.53 7 ATOM 713 CZ2 TRP 487 3,303 33,900 26,266 1.00 29.91 6 ATOMO 714 CZ3 TRP 487 0.998 33.976 26.987 1.00 29.83 6 ATOMO 715 CH2 TRP 487 2,254 33,367 26,970 1.0029.09 6 ATOM 716 C TRP 487 -1,599 37,899 24.06B 1.00 15.44 6 ATOM 717 OR TRP 487 -2,178 37,367 25,018 1.00 16.68 8 ATOMO 718 N LEU 488 -2,036 38,993 23,447 1.00 14.44 7 TOMO 719 CA LEU 488 -3,153 39,815 23,861 1.00 20.07 6 ÁTOMO 720 CB LEO 488 -2,596 40,924 24,783 1.00 17.49 6 ATOM 721 CG LEU 488 -3,608 41,563 25,769 1.00 16.97 6 ATOMO 722 CDl LEU 488 -4,062 40,567 26,830 1.00 17.38 6 ATOM 723 CD2 LEU 488 -2,987 42,813 26,370 1.00 13.93 6 ? TOMO 724 C LEU 488 -3.889 40,467 22,677 1.00 20.44 6 ATOM 725 OR LEO 488 -3,255 41,009 21,752 1.00 19.65 8 ATOM 726 H VAL 489 -5,218 40,349 22,620 1.00 18.11 7 ATOM 727 C? VAL 489 -5,998 40,940 21,542 1.00 14.66 6 ATOM 728 CBA VAL 489 -6,686 39,837 20,699 0.50 7.52 6 ATCMO 729 CBB VAL 489 -6,677 39,925 20,604 O.SO 13.86 6 ? TOMO 730 CGl VAL 489 -7,573 38,976 21,597 O.SO 7.13 6 ATOM 731 CGl VAL 489 -5,696 39,457 19,543 0.50 15.87 6 ATOMO 732 CG2 VAL 489 -7,501 40,380 19,531 0.50 3.91 6 ATOM 733 CG2 VAL 489 -7,264 38,776 21,402 O.SO 18.65 6 ATOMO 734 C VAL 489 -7,109 41,834 22.107 1.00 15.71 6 ATOM 735 OR VAL 489 -7,689 41,604 23,179 1.00 14.52 8 ATOM 736 H LEO 490 -7,379 42,908 21,386 1.00 15.13 7 ? TOMO 737 C? LEO 490 -8,520 43,733 21,703 1.00 13.72 6 ATCMO 738 CB LEO 490 -8.287 45.241 21.4B8 1.00 17.87 6 ATCMO 739 CG LEO 490 -9,650 45,888 21,873 1.00 26.07 6 ATOM 740 CDl LEU 490 -9,479 46,800 23,036 1.00 30.57 6 ATOMO 741 CD2 LEU 490 -10,373 46,403 20,662 1.00 25.07 6 ATOMO 742 C LEU 490 -9,657 43,192 20,803 1.00 17.58 6 ATOMO 743 OR LEU 490 -9,611 43,349 19,576 1.00 14.46 8 ATOM 744 H GLN 491 -10,673 42,568 21,412 1.00 15.83 7 ATOMO 745 C? GLN 491 -11,745 41,958 20,623 1.00 17.70 6 ATOMO 746 CB GLN 491 -12,252 40,628 21,264 1.00 15.03 6 ? TOMO 747 CG GLN 491 -11,105 39,635 21,472 1.00 12.81 6 ATOM 748 CD GLN 491 -11,564 38,230 21,868 1.00 15.79 6 ATOMO 749 OE1 GLN 491 -12,023 38,043 22,988 1.00 14.61 8 ATOMO 750 HEZ GLN 491 -11,409 37,256 20,984 1.00 16.27 7 ATCMO 751 C GLN 491 -12,971 42,824 20,375 1.00 17.71 6 ÁTOMO 752 O GLN 491 -13,370 43,570 21,268 1.00 19.37 8 ATOMO 753 H THR 492 -13,607 42,659 19,218 1.00 14.05 7 ATOMO 754 C? THR 492 -14,853 43,378 18,934 1.00 19.01 6 ATOM 755 CB THR 492 -14,562 44,641 18,089 1.00 16.40 6 ATOM 756 OG1 THR 492 -15,769 4S.381 17.905 1.00 18.39 8 ATOM 757 CG2 THR 492 -13,943 44,367 16,720 1.00 10.45 6 ATOMO 758 C THR 492 -15,803 42,450 18,173 1.00 18.96 6 ATOM 759 OR THR 492 -15,339 41,594 17.409 1.00 21.88 8 ? TOMO 760 N PRO 493 -17,095 42,713 18,251 1.00 18.78 7 ? TOMO 761 CD PRO 493 -17,747 43,697 19,135 1.00 22.16 6 ATOMO 762 C? PRO 493 -18,090 41,937 17,530 1.00 24.37 6 ATCMO 763 CB PRO 493 -19,352 42,063 18,371 1.00 24.99 6 ATOMO 764 CG PRO 493 -19,162 43,257 19,235 1.00 26.05 6 ATOMO 765 C PRO 493 -18,285 42,504 16,138 1.00 27.02 6 ATCMO 766 OR PRO 493 -18,852 41,847 15,248 1.00 27.04 8 ATOMO 767 N HXS 494 -17,978 43,797 15,960 1.00 24.22 7 TOMO 768 C? HXS 494 -18,114 44,445 14,651 1.00 25.72 6 ATOM 769 CB HXS. 494 -19444 45,176 14,439 1.00 20.09 6 ATOMO 770 CG HXS 494 -20,639 44,279 14,595 1.00 21.67 6 ATOMO 771 CD2 HXS 494 -21,161 43,336 13,998 1.00 23.30 6 ATCMO 772 HD1 HXS 494 -21,380 44,271 15,754 1.00 27.49 7 ATOMO 773 CEI HXS 494 -22,338 43,365 15,657 1.00 26.54 6 ATOMO 774 NE2 HXS 494. -22,211 42,788 14,482 1.00 32.10 7 ATOM 775 C HXS 494 -17,038 45,516 14,453 1.00 24.49 6 ATOMO 776 OR HXS 494 -16,481 46,028 15,429 1.00 24.01 8 ATOMO 777 N LEU 495 -16,847 45,937 13,214 1.00 21.96 7 ATOMO 778 C? LEU 495 -15,900 47,019 12,960 1.00 26.06 6 ATOMO 779 CB LEU 495 -15,014 46,748 11,741 1.00 26.66 6 ATOM 780 CG LEU 495 -13,994 45,619 11,899 1.00 3S.19 6 ATCMO 781 CDl LEU 495 -13,449 45,265 10.52S 1.00 25.66 6 ATOM 782 CD2 LEO 495 -12,895 45,958 12,900 1.0024.13 6 ATOMO 783 C LEO 495 -16,626 48,341 12,720 1.00 26.30 6 ATOM 784 OR LEO 495 -15,999 49,402 12,790 1.00 26.83 8 TCMO 785 N GLU 496 -17,884 48,265 12,326 1.00 25.44 7 ? TOMO 786 C? GLU 496 -18,688 49,453 12,087 1.00 28.55 6 ATOMO 787 CB GLU 496 -19,062 49,722 10,634 1.00 28.97 6 ATOM 788 CG GLU 496 -17,977 49,532 9,605 1.00 34.46 6 ATOM 789 CD GLU 496 -18,414 49,757 8,168 1.00 42.07 6 ATCMO 790 OE1 GLU 496 -19,560 50,157 7,882 1.00 41.53 8 ÁTOMO 791 OE2 GLO 496 -17,592 49,523 7,256 1.00 45.31 8 ATOMO 792 C GLU 496 -19,995 49,291 12,885 1.00 32.22 6 ATOM. 793 O GLO 496 -20,525 48,180 13,015 1.00 31.68 8 ATCMO 794 N PHE 497 -20,396 50,379 13,538 1.00 29.38 7 ATOM 795 C? PHE 497 -21,622 50,419 14,315 1.00 31.45 6 ATOM 796 CB PHB 497 -21,388 50,515 15,832 1.00 29.88 6 ATOM 797 CG PHE 497 -20,640 49,369 16,464 1.00 28.91 6 ATOM 798 CDl PHE 497 -19,256 49,286 16,386 1.00 19.88 6 ATOMO 799 CD2 PHE 497 -21,311 48,363 17,131 1.00 27.06 6 ÁTOMO 800 CEI PHE 497 -18,557 48,242 16,971 1.00 23.29 6 ATOM 801 CE2 PHB 497 -20,622 47,321 17,719 1.00 23.27 6 ÁTOMO 802 CZ PHB 497 -19,244 47,240 17,636 1.00 25.87 6 ? TOMO 803 C PHE 497 -22,455 51,633 13,861 1.00 31.11 6 ATOMO 804 OR PHE 497 -22,007 52,532 13,164 1.00 32.31 8 ATOMO B05 N GLN 498 -23,726 51,653 14,219 1.00 34.14 7 ? TOMO 806 C? GLN 498 -24,636 52,735 13,939 1.00 33.31 6 ? TOMO 807 CB GLN 498 -26,042 52,237 13,635 1.00 38.15 6 TCMO 808 CG GLN 498 -26,207 51,444 12,356 1.00 45.65 6 ATOMO 809 CD GLN 498 -25,763 52,154 11,097 1.00 49.99 6 ATOM 810 OBI GLN 498 -26,455 53,038 10,589 1.00 52.58 8 ATOM 811 HE2 GLN 498 -24,603 51,778 10,563 1.00 53.06 7 ÁTOMO 812 C GLN 498 -24,662 53,648 15,172 1.00 31.48 6 ATCMO 813 O GLN 498 -24,459 53,202 16,300 1.00 27.98 8 ATOMUS 814 H GLU 499 -24,990 54,911 14,920 1.00 30.75 7 ATOM 815 C? GLU 499 -25,112 55,888 16,009 1.00 32.56 6 ATCMO 816 CB GLU 499 -25,598 57,213 15,420 1.00 36.89 6 TOMO 817 CG GLU 499 -25,204 58,474 16,141 1.00 44.86 6 ATOM 818 CD GLU 499 -24,771 59,578 15,164 1.00 48.45 6 ATCMO 819 OBI GLO 499 -23,802 60,293 15,521 1.00 53.90 8 TCMO 820 OB2 GLO 499 -25,400 59,718 14,118 1.00 50.56 8 ATOMO 821 C GLO 499 -26,130 55,315 16,998 1.00 31.14 6 ATOM 822 OR GLO 499 -27,136 54,818 16,475 1.00 31.94 8 ATOM 823 H GLY 500 -25,919 55,295 18,275 1.00 32.19 7 ATOMO 824 C? GLY 500 -26.874 54.743 19.217 1.00 31.10 6 ? TOMO 825 c GLY 500 -26,643 53,325 19,696 1.00 31.51 6 ? TCMO 826 or GLY 500 -27,082 52,935 20,789 1.00 30.30 8 ATCMO 827 H GLO 501 -25,948 52,497 18,921 1.00 34.41 7 ATOMO 828 C? GLU 501 -25,675 51,120 19,297 1.00 34.07 6 ATCMO 829 CB GLU 501 -24,949 50,414 18,148 1.00 37.86 6 TCMO 830 CG GLO 501 -25,777 50,190 16,889 1.00 48.38 6 ATOM 831 CD GLO 501 -24,984 49,346 15,895 1.00 49.17 6 ATOM 832 OBI GLO 501 -24,251 48,458 16,385 1.00 58.51 8 ATOM 833 OE2 GLO 501 -25,046 49,533 14,669 1.00 48.56 8 ATOMUM 834 C GLU 501 -24,783 51,018 20,537 1.00 33.06 6 ATOM 835 OR GLU 501 -24,086 51,978 20,886 1.00 27.70 8 ATCMO 836 H THR 502 -24,747 49,809 21,107 1.00 31.92 7 ATOM 837 C? THR 502 -23,870 49,563 22,248 1.00 32.85 6 TCMO 838 CB THR 502 -24,508 48,705 23,341 1.00 35.75 6 ? VOLUME 839 OG1 THR 502 -25,546 49,428 24,021 1.00 36.79 8 ATOMO 840 CG2 THR, 502 -23,532 48,289 24,441 1.00 35.82 6 ATOM 841 C THR "502 -22,582 4B.922 21,721 1.00 32.54 6 TCMO 842 OR THR 502 -22,650 47,934 20,991 1.00 30.03 8 ATOM 843 H ILE 503 -21,431 49,537 22,014 1.00 28.53 7 ATOMO 644 C? XLE 503 -20,162 48,927 21,590 1.00 25.40 6 ATOMO 845 CB XLB 503 -19,131 49,993 21,163 1.00 26.58 6 ATOM 846 CG2 ILE 503 -17,776 49,370 20,828 1.00 25.47 6 ATOM 847 CGl XLE 503 -19,669 50,786 19,971 1.00 21.79 6 ATOM 848 CDl XLB 503 -18,739 51,863 19,438 1.00 19.73 6 ? VOLUME 849 C ILB 503 -19,624 48,113 22,767 1.00 25.27 6 ATOM 850 or XLE 503 -19,439 48,685 23,853 1.00 23.06 8 ATOMO 851 H MBT 504 -19,443 46,807 22,591 1.00 24.90 7 ÁTOMO 852 CA MBT 504 -18,893 45,953 23,639 1.00 21.55 6 ATOMO 853 CB MET 504 -19,797 44,769 23,963 1.00 33.48 6 ATOM 854 CG MET 504 -20,810 45,040 25.101 1.00 29.68 6 ATOMO 855 SD MBT 504 -21,940 43,610 25,242 1.00 46.02 16 ATOM 856 CE MET 504 -22,667 43,650 23,589 1.00 31.10 6 ÁTOMO 857 C MET 504 -17,528 45,410 23,215 1.00 21.27 6 ATOM 858 OR MET 504 -17,374 44,875 22.106 1.00 22.96 8 ÁTOMO B59 N LEO 505 -16,503 45,624 24,027 1.00 20.55 7 ATOM 860 C? LEO 505 -15,134 45,198 23,728 1.00 22.33 6 TCMO 861 CB LEO 505 -14,192 46,416 23,550 1.00 14.66 6 ? TOMO 862 CG LEU 50S -14,713 47,477 22,561 1.00 18.89 6 ATOMO 863 CDl LEU 505 -13,796 48,688 22,489 1.00 19.44 6 ATOM 864 CD2 LEU 505 -14,882 46,810 21,186 1.00 18.70 6 ATOM 865 C LEO 505 -14,567 44,307 24,817 1.00 20.15 6 ATOMOM 866 OR LEO 505 -15,050 44,360 25,950 1.00 18.39 8 ATOM 867 N ARG 506 -13,523 43,542 24,483 1.00 18.25 7 ATOMO 868 C? ? RG 506 -12,912 42,692 25,516 1.00 17.87 6 ATCMO 869 CB ARG 506 -13,607 41,313 25,508 1.00 14.96 6 ? TOMO 870 CG ARG 506 -12,834 40,269 26,290 1.00 16.79 6 ATOM 871 CD ARG 506 -13,699 39,078 26.757 1.00 19.51 6 ATOMO 872 NE ARG 506 -13,334 37,939 26,025 1.00 23.46 7 ATOM 873 CZ ARG 506 -12,990 36,692 26,065 1.00 24.43 6 ATOM 874 NH1 ARG 506 -12,923 35,974 27,176 1.00 25.93 7 ATOMO 875 NH2 ARG 506 -12,697 36,071 24,936 1.00 18.72 7 ATOM 876 C ARG 506 -11,422 42,545 25,304 1.00 18.56 6 ATOMO 877 OR ARG 506 -10,998 42,387 24,142 1.00 20.43 8 ATOM 878 N CYS 507 -10,642 42,620 26,378 1.00 15.23 7 ATOM 879 C? CYS 507 -9,189 42,447 26,292 1.00 14.89 6 ATOM 880 c CYS 507 -8,934 40,975 26,583 1.00 15.28 6 ATCMO 881 or CYS 507 -9,296 40,572 27,690 1.00 15.96 8 ATCMO 882 CB CYS 507 -8,438 43,301 27,322 1.00 14.55 6 ATOMO 883 SG CYS 507 -6,691 43,498 27,013 1.00 13.91 16 ATOM 884 N HXS 508 -8,446 40,213 25,604 1.00 1S .07 7 ATOMO 885 C? HXS 508 -8,334 38,763 25,811 1.00 11.91 6 ATOM 886 CB HXS 508 -9,190 38,109 24,708 1.00 16.03 6 ATOM 887 CG HXS 508 -9,119 36,626 24,572 1.00 16.94 6 ATCMO 888 CD2 HXS 508 -9,068 35,843 23,462 1.00 17.64 6 ATCMO 889 ND1 HXS 508 -9,103 35,758 25,657 1.00 17.41 7 ATCMO 890 CB1 HIS 508 -9,034 34,516 25,215 1.00 17.37 6 ATCMO 891 NE2 HIS 508 -9,021 34,533 23,895 1.00 20.00 7 ATCMO 892 C HIS 508 -6,925 38,219 25,733 1.00 11.83 6 ? TOMO 893 OR HXS 508 -6,224 3B .505 24,762 1.00 12.54 8 ATOM 894 N SER S09 -6,515 37,364 26,654 1.00 13.70 7 ATOM 895 C? SER 509 -5,160 36,775 26.605 1.00 11.70 6 ? TCMO 896 CB SER 509 -4,583 36,732 28,041 1.00 13.47 6 ? VOLUME 897 OG SER 509 -5,609 36,021 28,800 1.00 16.16 8 ATOMO 898 C SER 509 -5.190 35.407 25.970 1.00 14.21 6 ? TOMO 899 OR SER 509 -6,180 34,634 25,903 1.00 14.63 8 ? TOMO 900 H TRP 510 -4,047 35,062 25,381 1.00 16.58 7 ATOMO 901 C? TRP 510 -3,860 33,764 24,708 1.00 16.04 6 ATOMO 902 CB TRP S10 -2,480 33,708 24,072 1.00 18.73 6 ATOM 903 CG TRP 510 -2,187 32,441 23,306 1.00 21.24 6 ATOM 904 CD2 TRP 510 -1,135 31,527 23,589 1.00 20.70 6 ATOMO 905 CB2 TRP 510 • -1,193 30,505 22,616 1.00 25.92 6 ATOM 906 CE3 TRP 510 -0,112 31,494 24,549 1.00 24.16 6 ATOMO 907 CDl TRP 510 -2,827 31,958 22,214 1.00 22.22 6 ? TCMO 908 NEI TRP 510 -2,233 30,797 21,765 1.00 22.81 7 ATOM 909 CZ2 TRP 510 -0,276 29,462 22,568 1.00 24.18 6 ATOMO 910 CZ3 TRP 510 0.781 30.432 24.S09 1.00 30.15 6 ATCMO 911 CH2 TRP, 510 0.698 29.433 23.526 1.00 31.04 6 ? TCMO 912 C TRP 510 -4,082 32,621 25,681 1.00 14.44 6 ATCMO 913 OR TRP 510 -3,665 32,647 26.852 1.00 17.08 8 ATOMO 914 N LYS 511 -4,928 31,667 25,294 1.00 19.42 7 ATCMO 915 C? LYS 511 -5,347 30,541 26,115 1.00 19.40 6 ? TOMO 916 CB LYS 511 -4,131 29,625 26,418 1.00 21.00 6 ATOM 917 CG LYS 511 -3,583 28,962 25,155 1.00 24.94 6 ATOMO 918 CD LYS 511 -2,124 28,579 25,337 1.00 34.17 6 ATOM 919 CE LYS 511 -1.952 27,147 25,781 1.00 37.49 6 ATOM 920 HZ LYS 511 -2,783 26,198 24,987 1.00 52.66 7 ATOMO 921 C LYS 511 -5,940 30,945 27,450 1.00 20.33 6 ATOMO 922 OR LYS 511 -5,905 30,172 28,419 1.00 16.80 8 ATOM 923 N? SP 512 -6,444 32,171 27.602 1.00 18.28 7 ATOM 924 C? ASP 512 -6.989 32.633 28.861 1.00 20.31 6 ATOMO 925 CB ASP 512 -8.242 31.778 29.191 1.0024.52 6 ATCMO 926 CG ASP 512 -9.306 32.129 28.155 1.00 31.39 6 ATOM 927 OD1 ASP 512 -9,700 33,321 28,119 1.0039.68 8 ATOM 928 OD2 • SP 512 -9,719 31,278 27,360 1.0035.00 8 • VOLUME 929 C ASP 512 -6,015 32,663 30,018 1.0023.40 6 ATOM 930 OR ASP 512 -6,426 32,391 31,148 1.00 23.42 8 ATOMO 931 M LYS 513 -4,731 32,977 29.785 1.0023.10 7 ? TOMO 932 C? LYS 513 -3.792 33,145 30.891 1.0022.35 6 ATOMO 933 CB LYS 513 -2,352 33,434 30,437 1.0021.68 6 ATOMO 934 CG LYS 513 -1.758 32.255 29.659 1.0027.09 6 ATOM 935 CD LYS 513 -0.232 32.292 29.608 1.0028.34 6 ATCMO 936 CE LYS 513 0.269 31,086 28,816 1,0032.92 6 ATOM 937 HZ LYS 513 0.196 29,791 29,554 1,0033.55 7? TCMO 938 C LYS 513 -4,352 34,269 31,748 1.00 19.86 6 ATOM 939 OR LYS 513 -4,890 35,263 31,264 1.00 21.45 8 ATCMO 940 H PRO 514 -4,288 34.105 33,066 1.0020.08 7 ATOM 941 CD PRO 514 -3.701 32,938 33.768 1.00 16.95 6 ATONO 942 C? PRO 514 -4.923 3S.06S 33.957 1.00 17.00 6 ATOM 943 CB PRO 514 -4,548 34,574 35,342 1.00 19.22 6? TCMO 944 CG PRO 514 -4,169 33,133 35,176 1.0021.34 6? VOLUME 945 C PRO 514 -4,451 36,461 33,636 1.00 16.83 6 ATOMO 946 OR PRO 514 -3.237 36.741 33.512 1.00 16.01 a ATOM 947 H LEO 515 -5.414 37.383 33.560 1.00 15.95 7 ATOMO 948 C? LEO SIS -5.081 38.762 33.215 1.00 17.10 6? TOMO 949 CB LEO 515 -5.769 38.987 31.856 1.00 16.83 6 ATCMO 950 CG LEO 515 -5.790 40.368 31.231 1.00 21.64 6 ATOMO 951 CDl LEU 515 -4.399 40.734 30.733 1.00 19.24 6 ATOMO 952 CD2 LEO 515 -6.777 40.380 30.043 1.00 19.80 6 ATOMO 953 C LEO 515 -5.606 39.750 34.226 1.00 21.13 6 ATOMO 954 OR LEO 515 -6.788 39,666 34,569 1.00 18.84 8 ATOM 955 H VAL 516 -4,839 40,761 34,630 1.00 20.51 7 ATOM 956 C? VAL 516 -S.314 41.793 35.545 1.0020.40 6 ATOMO 957 CB VAL 516 -4.787 41.589 36.971 1.00 18.72 6 ATOMUM 958 CGl VAL 516 -5.313 40.319 37.644 1.00 22.67 6 ATOMO 959 CG2 VAL 516 -3.257 41.538 36.998 1.0022.12 6 ATOMO 960 C VAL 516 -4.807 43.163 35.073 1.00 19.73 6 ATOMO 961 OR VAL 516 -3.910 43.184 34.223 1.0020.76 8 ATOMO 962 H LYS 517 -5.268 44.251 35.693 1.00 17.34 7 ATOMO 963 C? LYS 517 -4,760 45,576 35,381 1.00 20.33 6 ATOMO 964 CB LYS 517 -3,271 45,684 35,802 1.00 21.74 6 ATOMS 965 CG LYS 517 -3,115 45,939 37,301 1.0024.43 6 ATOMS 966 CD LYS 517 -1.793 45,421 37,832 1.00 32.69 6 ATOM 967 CE LYS 517 -0.798 46,552 38,056 1.00 40.27 6 ATOM 968 HZ LYS 517 0.568 46.001 38.266 1.00 44.06 7 ATOM 969 C LYS 517 -4.956 45,930 33,914 1.00 18.58 6? TOMO 970 OR LYS 517 -4,026 46,331 33,234 1.00 24.35 8 ATOMO 971 H VAL 518 - 6,181 45,803 33,417 1,0020.45 7 ATOM 972 C? VAL 518 -6.542 46.068 32.039 1.00 19.15 6 ATOMUM 973 CB VAL 518 -7.756 45.223 31.607 1.00 12.17 6 ATCMO 974 CGl VAL 518 -8.199 45.470 30.176 1.00 18.94 6 ATOMO 975 CG2 VAL '518 -7.408 43.737 31.794 1.00 16.75 6 ATOMO 976 C VAL S18 -6.868 47,536 31.797 1.00 18.58 6 ATOM 977 OR VAL 518 -7,606 48,149 32,564 1.00 17.16 8 ATOMO 978 N THR 519 -6,307 48,063 30,711 1.00 15.94 7 ATCMO 979 C? THR 519 -6,527 49,441 30,335 1.00 16.50 6 ATOM 980 CB THR 519 -5,291 50,343 30,367 1.00 19.59 6 ATOM 981 OG1 THR 519 -4,770 50,456 31,693 1.0023.11 8 ÁTO OR 982 CG2 THR. 519 -5.695 51.743 29.872 1.00 24.83 6 ATOMO 983 C THR 519 -7.053 49.442 28.881 1.00 17.81 6 ATOMO 984 OR THR 519 -6.436 48.736 28.095 1.00 14.36 8 ATOMO 985 H PHE 520 -8.121 50.187 28.643 1.00 14.86 7 ATOMO 986 C? PHB 520 -8,616 50,258 27,259 1.00 13.85 6 ATOM 987 CB PHB 520. -10.122 50.069 27.240 1.00 15.51 6 ATOMO 988 CG PHE 520 -10.553 48.636 27.463 1.00 13.38 6 ATOMO 989 CDl PHB 520 -10.748 48.165 28.750 1.0020.15 6 ATOMO 990 CD2 PHB 520 -10.792 47.815 26.381 1.00 20.08 6 ATOMO 991 CEI PHB 520 - 11,186 46,864 28,953 1.00 17.14 6 ATOM 992 CE2 PHB 520 -11,230 46,499 26,578 1.00 22.12 6? TOMO 993 CZ PHB 520 -11,423 46,048 27,867 1.00 17.10 6 ATOM 994 C PHB S20 -8,279 51,650 26,721 1.00 17.13 6 ATOM 995 OR PHE 520 -8,640 52,645 27.407 1.00 14.78 8 ÁTOMO 996 H PHE 521 -7,626 51,700 25,575 1.00 16.20 7 ATOMO 997 C? PHB 521 -7,277 52,998 25,011 1.00 18.83 6 TCMO 998 CB PHE 521 -5,799 53,045 24,616 1.00 13.50 6 ATOM 999 CG PHE 521 -4,768 52,814 25,656 1.00 18.60 6 TCMO 1000 CDl PHE 521 -4,368 51,527 26,017 1.00 17.37 6 ATOMO 1001 CD2 PHB 521 -4,208 53,905 26,334 1.00 18.44 6 ÁTOMO 1002 CEI PHE 521 -3.409 51.342 27.006 1.00 19.7ß 6 ATOMO 1003 CE2 PHB 521 -3,260 53,693 27,313 1.0022.69 6 ÁTOMO 1004 CZ PHE 521 -2,843 52,421 27,660 1.0015.74 6 ? TOMO 1005 C PHB 521 -8,074 53,327 23,749 1.00 18.44 6 ATOM 1006 OR PHE 521 -8,351 52,412 22,987 1.00 15.63 8 ? T0MO 1007 H GLN 522 -8,333 54,613 23,480 1,0019.35 7 ATOM 1008 C? GLN 522 -8,959 54,986 22,203 1.00 19.90 6 ÁTOMO 1009 CB GLN 522 -10,396 55,487 22,317 1.00 16.32 6 ATOM 1010 CG GLN 522 -10,784 56,283 21,065 1.00 18.39 6 ATOMO 1011 CD GLN 522 -12,050 57,102 21,247 1,0021.98 6 ÁTOMO 1012 OEl GLN 522 -12,423 57.40S 22,374 1.00 19.18 8 ATOMO 1013 NE2 GLN 522 -12,700 57,470 20,153 1.0024.51 7 ATOM 1014 C GLN 522 -8,067 56,092 21.609 1.00 15.34 6 ATOM 1015 OR GLN 522 -7,789 57,034 22,321 1.00 17.30 8 ATOM 1016 H ASN 523 -7,474 55,935 20,439 1.00 18.98 7 ATOM 1017 C? ? SN 523 -6,542 56,891 19,859 1.0022.95 6 ATOM 1018 CB? SN 523 -7,241 58,158 19,332 1.00 19.57 6 ATOMO 1019 CG? SN 523 -8,228 57,736 18,244 1.00 26.31 6 ATOM 1020 OD1? SN 523 -8,013 56,813 17,441 1,0019.76 8 ATOM 1021 HD2? SN 523 -9,375 58,403 18,213 1.0028.57 7 ATOM 1022 C ASN 523 -5,397 57,223 20,803 1.00 21.02 6 TCMO 1023 OR ASN 523 -4,911 S8,341 20,918 1.00 19.19 8 ? TOMO 1024 N GLY 524 -4.951 56.234 21.579 1.00 19.77 7 ATOM 1025 C? GLY 524 -3,852 56,350 22,495 1.00 16.41 6 ATOMO 1026 c GLY 524 -4,159 56,981 23,844 1.00 14.85 6 ATCMO 1027 or GLY 524 -3.210 57.208 24.611 1.00 15.05 8 ATOM 1028 H LYS 525 -5,405 57,256 24,133 1.00 13.81 7 ATOM 1029 CA LYS 525 -5,830 57,869 25,379 1.00 21.18 6 ATCMO 1030 CB LYS 525 -6,700 59,128 25,247 1.00 14.85 6 ATOMO 1031 CG LYS 525 -6,934 59,834 26,559 1.00 16.28 6 ATCMO 1032 CD LYS 525 -7,406 61,279 26,281 1.0022.51 6 ATOMO 1033 CE LYS 525 -7,925 61,877 27,587 1.00 30.62 6 ATCMO 1034 HZ LYS 525 -8,822 63,048 27,330 1.00 36.72 7 ATOMO 1035 C LYS 525 -6,725 56,852 26.121 1.00 18.20 6 ATOMO 1036 OR LYS 525 -7,648 56,341 25,509 1.0019.98 8 ATOMO 1037 H SER 526 -6,385 56,650 27,393 1.00 17.62 7 ATOMO 1038 C? SER 526 -7,107 55,625 28,155 1,0020.03 6 ATOMO 1039 CB SER 526 -6.355 55.407 29.485 1.0023.22 6 ATOMO 1040 OG SBR 526 -7,317 55,093 30,466 1.0038.12 8 ? TCMO 1041 C SER 526 -8,541 56,043 28,389 1.00 17.85 6 ATOMO 1042 OR SER 526 -8,842 57,209 28,647 1.00 21.31 8 ATOM 1043 H GLN 527 -9,490 55,148 28,254 1.00 17.16 7 TCMO 1044 C? GLN 527 -10,898 SS.351 28.408 1.00 17.45 6? VOLUME 1045 CB GLN 527 -11,723 54,793 27,225 1,0020.82 6 ATOM 1046 CG GLN 527 -11,352 55,447 25,897 1.00 18.56 6 ? TOMO 1047 CD GLN 527 -11,497 56,954 25,927 1.00 24.44 6 ATCMO 1048 OEl GLN 527 -12. 06 57,450 26,116 1,0031.62 8 ATOM 1049 HE2 GLN 527 -10,436 57,736 25,773 1.00 19.15 7 ATOMO 1050 C GLN 527 -11,386 54,615 29,661 1.00 20.94 6 ATOMO 1051 OR GLN 527 -12,439 54,937 30,179 1.00 18.25 8 ATOMO 1052 H LYS 528 -10,643 53,581 30,032 1.0021.18 7 ATOM 1053 C? LYS 528 -11,070 52,818 31,216 1.0023.10 6 TCMO 1054 CB LYS 528 -12,177 51,832 30,842 1.0021.83 6 TCMO 1055 CG LYS 528 -12,683 50,984 32,013 1.0024.67 6 ? TOMO 1056 CD LYS 528 -13,739 49,961 31,589 1.00 18.23 6 ATOM 1057 CE LYS 528 -14,048 49,120 32,870 1.0027.02 6 ATOMO 1058 HZ LYS 528 -15,081 48,072 32,574 1.00 24.24 7 ATOM 1059 C LYS 528 -9,884 52,022 31,754 1.0024.93 6 ATCMO 1060 OR LYS 528 -9,193 51,385 30,960 1.0020.79 8 ATOMO 1061 H PHB 529 -9,678 52,044 33,062 1.0021.39 7 ATOM 1062 CA PHE 529 -8,708 51,171 33,695 1.0024.45 6 ATOM 1063 CB PHE 529 -7,610 51,940 34,458 1.0025.50 6 ATOM 1064 CG PHE 529 -6,772 51,029 35,327 1,0025.51 6 ATOMO 1065 CDl PHE 529 -5,799 50,236 34,762 1.00 19.40 6 ATOM 1066 CD2 PHE 529 -7,002 50,938 36,700 1.0029.98 6 ATOM 1067 CB1 PHE 529 -5,026 49,375 35,535 1.00 25.00 6 ATOM 1068 CB2 PHE 529 -6,249 50,078 37,491 1.00 28.84 6 ATOM 1069 CZ PHB 529 -5,262 49,292 36,902 1.00 32.29 6 ? TOMO 1070 C PHE 529 -9,480 50,289 34,687 1.00 27.88 6 ? TOMO 1071 OR PHE 529 -10,388 50,817 35,359 1.00 30.99 ß TCMO 1072 N SER 530 -9,134 49,020 34.853 1.00 26.67 7 ? TOMO 1073 CA SER 530 -9,779 48,225 35,917 1.00 24.98 6 ATOM 1074 CB SER 530 -11,025 47,522 35,422 1.00 21.29 6 TCMO 1075 OG SBR 530 -11,271 46,401 36,250 1.00 25.72 8 ? TCMO 1076 C SER 530 -8,777 47,199 36,434 1.00 24.39 6 TCMO 1077 OR SER 530 -8,123 46,581 35,576 1.00 24.91 8 ATOM 1078 N HXS 531 -8,668 46,977 37,730 1.00 22.12 7 ATOM 1079 C? HXS 531 -7,710 45,965 38,204 1.00 € 23.65 ATOMO 1080 CB HXS 531 -7,604 45,948 39,737 1.00 28.35 6 ATCMO 1081 CG HXS 531 -6,859 47,160 40,197 1.00 23.57 6 TCMO 1082 CD2 HXS 531 -7.307 48,357 40,642 1.00 18.55 6 ATOMO 1083 ND1 HXS 531 -5,478 47,200 40,170 1.00 26.69 7 ATOMO 1084 CEI HXS 531 -5,095 48,388 40,617 1.00 16.65 6 ATOM 1085 NE2 HXS 531 -6,173 49,102 40,890 1.00 23.94 7 ATCMO 1086 C HXS 531 -8,108 44,552 37,814 1.00 23.89 6 ATCMO 1087 OR BIS 531 -7,261 43,661 37,712 1.00 26.21 8 ATOMO 1088 N LEO 532 -9,426 44,318 37,689 1.00 21.77 7 ATOMO 1089 C? LED 532 -9,886 42,966 37,480 1.00 20.70 6 ATOMO 1090 CB LEU 532 -10,630 42,505 38,760 1.00 30.28 6 ATOM 1091 CG LEU 532 -10,022 42,782 40,148 1.00 26.56 6 ATOMO 1092 CDl LEU 532 -11,073 42,550 41,229 1.00 29.07 6 ATOM 1093 CD2 LEO 532 -8,814 41,886 40,435 1.00 24.99 6 ATOMO 1094 C LEU 532 -10,762 42,722 36,279 1.00 22.94 6 TCMO 1095 OR LEU 532 -10,794 41,540 35,900 1.00 22.01 8 ATCMO 1096 N? SP 533 -11,541 43,685 35,778 1.00 21.75 7 TCMO 1097 C? SP 533 -12,469 43,465 34,679 1.00 24.62 6 ATOM 1098 CB? SP 533 -13,560 44,539 34,854 1.00 29.71 6 ATOMO 1099 CG? SP 533 -14,734 44,545 33,915 1.00 32.90 6 TCMO 1100 OD1 SP 533 -14,837 43,612 33,083 1.00 32.91 8 TCMO 1101 OD2 SP 533 -15,597 45,472 34,000 1.00 36.01 8 ÁTOMO 1102 C? SP 533 -11,843 43,636 33,296 1.00 25.88 6 ÁTOMO 1103 O? SP 533 -11,419 44,730 32,940 1.00 24.36 8 ATOMO 1104 N PRO 534 -11,857 42,605 32,460 1.00 24.65 7 ATOM 1105 CD PRO 534 -12,347 41,246 32,778 1.00 22.97 6 ATOM 1106 C? PRO S34 -11,293 42,681 31,112 1.00 24.00 6 ATOMO 1107 CB PRO 534 -10,889 41,204 30,870 1.00 24.02 6 ATOM 1108 CG PRO 534 -11,987 40,433 31,544 1.00 23.04 6 ATON 1109 C PRO 534 -12,256 43,102 30,017 1.00 22.11 6 ? TOMO 1110 0 PRO 534 -11,970 42,936 28,824 1.00 19.00 8 ÁTOMO llll H THR 535 -13,420 43,654 30,350 1.00 21.43 7 ATOM 1112 C? THR 535 -14,424 44,061 29.401 1.00 24.98 6 ATOM 1113 CB THR 535 -15,748 43,282 29,593 1.00 27.24 6 ? TOMO 1114 061 THR 535 -16,331 43,801 30,796 1.00 24.99 8 ATOM 1115 CG2 THR 535 -15,461 41,797 29.706 1.00 26.07 6 ? TCMO 1116 C THR 535 -14,747 45,554 29,451 1.00 23.58 6 TCMO 1117 OR THR 535 -14,445 46,237 30,423 1.00 26.14 8 ATCMO 1118 H PHE 536 -15,267 46,076 28,347 1.00 20.63 7 ATOMO 1119 C? PHB 536 -15,549 47,475 28,150 1.00 20.10 6 ATOMO 1120 CB PHB 536 -14,343 48,160 27,523 1.00 25.47 6 ATCMO 1121 CG PHE 536 -14,408 49,616 27,170 1.00 25.61 6 ATOM 1122 CDl PHE 536 -14,528 50,596 28.121 1.00 27.00 6 ? TOMO 1123 CD2 PHE 536 -14,332 50,019 25,841 1.00 27.45 6 ATOMO 1124 CEI PHB 536 -14,571 51,937 27.787 1.00 32.62 6 ATOM 1125 CE2 PHE 536 -14,385 51,350 25,490 1.00 28.46 6 ÁTOMO 1126 CZ PHE 536 -14,493 52,317 26,463 1.00 30.41 6 ATOMO 1127 C PHE 536 -16,796 47,669 27,297 1.00 24.00 6 ATOM 1128 OR PHE 536 -16.952 47,065 26,230 1.00 24.50 8 ? TCMO 1129 N SER 537 -17,665 48,572 27,730 1.00 21.97 7 ATOMO 1130 C? SBR 537 -18,914 48,856 27,050 1.00 26.52 6 ATCMO 1131 CB SER 537 -20,120 48,448 27.908 1.00 30.03 6 ATOM 1132 OG SER 537 -20,769 47,307 27,412 1.00 44.19 8 TOMO 1133 C SER 537 -19,128 50,359 26,840 1.00 27.38 6 ATOM 1134 OR SER 537 -18,911 51,172 27,721 1.00 27.33 8 ATOM 1135 N XLB 538 -19,654 50,702 25,686 1.00 25.86 7 TCMO 1136 C? XLB 538 -20,004 52,060 25,343 1.00 29.46 6 ATOMS 1137 CB ILE 538 -19,189 52,690 24,193 1.00 33.38 6 ATOM 1138 CG2 XLE 538 -19,669 54,118 23,941 1.00 27.23 6 ATOMO 1139 CGl XLE 538 -17,679 52,669 24,472 1.00 30.55 6 ? TOMO 1140 CDl ILE 538 -16,817 52,711 23,223 1.00 29.53 6 ATOM 1141 C XLE 538 -21,477 51,991 24,926 1.00 29.88 6 ATOM 1142 OR XLE 538 -21,768 51,489 23,849 1.00 27.99 8 ATOM 1143 N PRO 539 -22,345 52,390 25,837 1.00 31.71 7 ATOM 1144 CD PRO 539 -22,018 52,928 27,184 1.00 32.73 6 ATOM 1145 C? PRO 539 -23,776 52,468 25,598 1.00 33.85 6 ATOM 1146 CB PRO 539 -24,380 52,653 26,983 1.00 36.13 6 ATOM 1147 CG PRO 539 -23,248 52,482 27,950 1.00 34.99 6 ATOM .1148 C PRO 539 -24,030 53,706 24.741 1.00 35.63 6 ATOM 1149 OR PRO 539 -23,324 54,706 24.888 1.00 38.22 8 ATCMO 1150 H GLN 540 -24,974 53,658 23,827 1.00 36.97 7 ATCMO 1151 C? GLN 540 -25,288 54,756 22,935 1.00 35.17 6 ATOMO 1152 CB GLN 540 -26,223 55,742 23,631 1.00 43.87 6 ÁTOMO 1153 CG GLN 540 -27,518 55,064 24,088 1.00 49.77 6 ÁTOMO 1154 CD GLN 540 -27,883 55,584 25,468 1.00 56.21 6 ATCMO 1155 OIN GLN 540 -28,145 56,782 25,593 1.00 57.44 8 ATOM 1156 HE2 GLN 540 -27,883 54,705 26,468 1.00 57.25 7 ? TOMO 1157 C GLN S40 -24,060 55,448 22,362 1.00 34.61 6 ? TOMO 1158 0. GU540 -23,677 56,582 22,693 1.00 33.34 8 ATOM 1159 H ALA 541 -23,473 54,755 21,391 1.00 29.80 7 ATOM 1160 C? ALA 541 -22,287 55,232 20,694 1.00 30.02 6 ATOM 1161 CB ALA 541 -21,778 54,121 19,774 1.00 27.89 6 ATCMO 1162 C ALA 541 -22,561 56,466 19,832 1.00 29.52 6 ATOM 1163 O? L? 541 -23,650 56,596 19,263 1.00 29.60 8 ÁTOMO 1164 H? SH 542 -21,528 57,284 19,665 1.00 30.60 7 ATOM 1165 C? SH 542 -21,642 58,431 18,738 1.00 31.55 6 ATOMO 1166 CB? SN 542 -21,985 59,727 19,453 1.00 30.39 6 ATOMO 1167 CG ASN 542 -21,012 60,117 20,534 1.00 31.63 6 ATOMO 1168 OD1 ASH 542 -19,838 60,443 20,268 1.00 27.57 8 ATOM 1169 HD2? SN 542 -21,479 60,127 21,781 1.00 33.23 7 ? TOMO 1170 C? SN 542 -20,357 58,545 17,936 1.00 32.33 6 ? VOLUME 1171 0 ASN S42 -19,453 57,698 18,122 1.00 29.09 8? VOLUME 1172 H HTS 543 -20,223 59,609 17,134 1.00 29.40 7? VOLUME 1173 C? HIS 543 -19,075 59,780 16,266 1.00 28.82 6 ATOM 1174 CB HIS 543 -19,262 60,971 15,272 1.00 24.51 6 ATOM 1175 CG HIS 543 -20,360 60,632 14,295 1.00 31.72 6 ATOMO 1176 CD2 HIS 543 -20,704 59,446 13,740 1.00 33.88 6 ATOMO 1177 ND1 HXS 543 -21,278 61,538 13,822 1.00 32.86 7? VOLUME 1178 CEI HXS 543 -22,117 60,939 13,008 1.00 31.84 6 ATOMO 1179 NE2 HXS 543 -21,794 59,664 12,941 1.00 31.48 7 ATOMO 1180 C HXS 543 -17,747 60,009 16,976 1.00 26.62 6 ATOM 1181 OR HXS 543 -16,696 59,768 16,366 1.00 25.96 8 ? VOLUME 1182 N SER S 4 -17.812 60.454 18.221 1.00 20.85 7 ATOMO 1183 C? SER 544 -16,557 60,738 18,941 1.00 24.82 6 ATCMO 1184 CB SER 544 -16,839 61,887 19,915 1.00 30.28 6 ATOM 1185 OG SER 544 -17,739 61,477 20,930 1.00 39.11 8 ATOMO 1186 C SER 544 -15,976 59,443 19,474 1.00 24.89 6 ATOM 1187 0 SER 544 -14,775 59,348 19,755 1.00 25.22 8 ATCMO 1188 N HXS 545 -16,746 58,344 19,463 1.00 20.33 7 ATOM 1189 C? HXS 545 -16,306 57,005 19,811 1.00 19.38 6 ATOMO 1190 CB HXS 545 -17,474 56,104 20,302 1.00 19.40 6 ATCMO 1191 CG HXS 545 -18,145 56,654 21,534 1.00 18.37 6 ATOMO 1192 CD2 HXS 545 -17,620 56,980 22,744 1.00 18.22 6 ATCMO 1193 HD1 HXS 545 -19,493 56,901 21,627 1.00 23.55 7 ATCMO 1194 CEI HXS 545 -19,768 57,374 22,829 1.00 26.33 6 ATCMO 1195 NB2 HXS. 545 -18,643 57,454 23,525 1.00 21.05 7 ATOMO 1196 C HIS 545 -15,589 56,313 18,657 1.00 22.05 6 ATOM 1197 OR HXS 545 -15,013 55,230 18,848 1.00 21.86 8 TCMO 1198 N SER 546 -15,569 56,869 17,444 1.00 20.66 7 ATOMO 1199 C? SER 546 -14,833 56,217 16,363 1.00 19.96 6 ATOMO 1200 CB SER 546 - -15,075 56,857 14,986 1.00 20.48 6 ÁTOMO 1201 OG SER 546 -16,442 56,712 14,613 1.00 25.61 8 ÁTOMO 1202 C SBR 546 -13,339 56,270 16,656 1.00 20.51 6 ATOMO 1203 0 SER 546 -12,915 57,252 17,287 1.00 22.06 8 TOMO 1204 H GLY 547 -12,556 55,288 16,197 1.00 16.70 7 TCMO 1205 C? GLY 547 -11,123 55,483 16,411 1.00 20.49 6 ATOMO 1206 c GLY 547 -10,385 54,152 16,555 1.00 22.63 6 ? VOLUME 1207 or GLY 547 -10,982 53,104 16,332 1.00 16.09 8 ATOM 1208 M? SP 548 -9,111 54,306 16.951 .0020..62 7 ATOMO 1209 C? ? SP S48 -8.324 53.089 17.121 .00 21..57 6 ATCMO 1210 CB? SP 548 -6.882 53.287 16.674 .00 28..99 6 ATOMS 1211 CG? SP 548 -6.819 53.722 15.219 .00 41..07 6? VOLUME? 1212 OD1? SP 548 -7,849 53,528 14,540 .00 39..21 8 ATOMO 1213 OD2? SP 548 -5,763 54,246 14,808 .00 39..40 8 ATOMO 1214 C? SP 548 -8,315 52,652 18,590 .00 20..72 6 ATOM 1215 OR ASP 548 -7,817 53,397 19,447 .00 20..27 8 ATOM 1216 N TYR 549 -8,822 51,426 18,798 .00 16 .. 97 7 ATOM 1217 C? TYR 549 -8,811 50,900 20,164 .00 18..60 6 ATOM 1218 CB TYR 549 -10,193 50,279 20,472 .00 16..94 6 ATOMO .1219 CG TYR 549 -11,272 51,332 20,606 .00 18..45 6 ATOM 1220 CDl TYR 549 -11,901 51,938 19.S28 .00 19..27 6 ATOM 1221 CEI TYR 549 -12,877 52,918 19,737 .00 20..18 6 ATONO 1222 CD2 TYR 549 -11,672 51,704 21,879 .00 18..36 6 ATCMO 1223 CE2 TYR 549 -12,636 52,650 22,116 .00 15..60 6 ATOM 1224 CZ TYR 549 -13,238 53,260 21,027 .00 18..77 6? VOLUME 1225 OH TYR 549 -14,211 54,206 21,253 .00 18..41 8 ATOMO 1226 C TYR 549 -7.767 49.80S 20.355 .00 15..78 6 ATOMS 1227 OR TYR 549 -7.539 49.007 19.450 .00 15..86 8 ATOMS 1228 N HIS 550 -7.196 49.740 21.SS9 .00 15..01 7 ATOMO 1229 C? HXS 550 -6.247 48.69S 21.925 .00 12..99 6 ATOMO 1230 CB HXS 550 -4.849 48.886 21.372 .00 11..96 6? VOLUME 1231 CG HXS 550 -3.942 49.834 22.117 .00 17..71 6 ATOMO 1232 CD2 RTS 5S0 -2,944 49,571 23,004 .00 16..09 6 ATOMO 1233 ND1 HXS 550 -3.988 51.206 21.971 .00 11..60 7 ATOMO 1234 CEI HXS 550 -3.058 51.763 22.716 .00 16..95 6? TCMO 1235 HE2 HXS 550 -2.407 50.809 23.370 .00 19..22 7? VOLUME 1236 C HXS 550 -6.263 48.596 23.462 .00 13..37 6 ATOMO 1237 OR HXS 550 -6.922 49.418 24.129 .00 12..78 8 ATOMO 1238 H CYS 551 -5,680 47,511 23,957 .00 14..21 7 ATOM 1239 C? CYS 551 -5,670 47,307 25,414 .00 15..38 6 ATCMO 1240 C CYS 551 -4,301 46,884 25,880 .00 16..27 6 ATCMO 1241 O CYS 551 -3,422 46,462 25,132 .00 15..15 8 ATOM 1242 CB CYS 551 -6,746 46,304 25,856 .00 16,85 6 ATOM 1243 SG CYS 551 -6,581 44,597 25,248 .00 14. 82 16 ATCMO 1244 H THR 552 -4,080 47,061 27,186 .00 17.41 7 ATOM 1245 C? THR 5S2 -2,875 46,643 27,862 .00 17. 27 6 ATOMO 1246 CB THR 552 -1,899 47,735 2B.305, 00 21.80 6 ATOMUM 1247 OG1 THR 552 -2,527 48,654 29,205, 00 17.53 8 ATOMO 1248 CG2 THR 552 -1,356 48,478 27,075, 00 17.12 6 ATOMO 1249 C THR 552 -3,346 45,877 29.127, 00 19.83 6 ATOM 1250 OR THR 552 -4,471 46,142 29,600, 00 16.21 8 ATCMO 1251 H GLY 553 -2,496 44,953 29,534, 00 17.84 7 ATOM 1252 C? GLY 553 -2,815 44,160 30,731, 00 20.33 6 ATOM 1253 C GLY 553 -1,647 43,261 31,108 .00 18.60 6 ATOM 1254 OR GLY 553 -0,779 42,951 30,293, 00 19.87 8-? TCMO 1255 N? SN 554 -1.603 42,866 32,373, 00 20.99 7 ATOMO 1256 C? ASN 554 -0.S60 42,051 32,959 00 20.36 6? TOMO 1257 CB ASN 554 -0,512 42,310 34,478 00 26.77 6? VOLUME 1258 CG ASN 554 0.800 42,938 34,897 00 40.91 6? VOLUME 1259 OD1 ASN 55 1,700 42,286 35,441 00 46.67 8 ATOM 1260 HD2 ASH 554 0.927 44.227 34.633, 00 40.24 7 ATOM 1261 C ASN 554 -0.879 40,566 32,817 .00 22.51 6? VOLUME 1262 OR ASH 554 -1,973 40,181 33,272 00 22.15 8 ATCMO 1263 H ILB 555 0.018 39.799 32.202 .00 19.40 7 ATCMO 1264 C? XLE 555 -0,198 38,352 32,139 .00 22.27 6 ATCMO 1265 CB ILB 555 -0.210 37,750 30,731 00 26.29 6 ATOMO 1266 CG2 ILE 555 -0,327 36,226 30,831 00 23.31 6? VOLUME 1267 CGl ILE '555 -1,367 38,322 29,899 00 28.16 6 ATOM 1268 CDl 1LB 555 -1,371 37,992 28,434 00 29.42 6 ATCMO 1269 C ILE 555 0.974 37.777 32.941 00 27.67 6 ATCMO 1270 OR XLE 555 2,112 38,140 32,639 00 24.10 8 ATOMS 1271 H GLY 556 0.732 37.028 34.020 00 33.10 7 ATCMO 1272 C? GLY 556 1,942 36,581 34,780 00 37.62 6 ATCMO 1273 C GLY 556 2,447 37,813 35,527 00 38.80 6 ATOMO 1274 OR GLY 556 1,659 38,354 36,299 00 43.91 8 ATOMO 1275 N TYR 557 3,655 38,293 3S,307 00 41.47 7 ATOM 1276 CA TYR 557 4,182 39,509 35.894 .00 43.65 6 ATOMO 1277 CB TYR 557 5,381 39,224 36,832 00 51.51 6? VOLUME 1278 CG TYR 557 5,020 38,274 37,961, 00 57.42 6 ATOMS 1279 CDl TYR 557 5,523 36,981 37,982 1.00 60.45 6 ATOM 1280 CEI TYR 557 5,179 36,101 38,992 1.00 62.57 6 ATOMO 1281 CD2 TYR 557 4,140 38,662 38,963 1.00 61.00 6 ATOM 1282 CE2 TYR 557 3,788 37,787 39,982 1.00 63.03 6 ATOM 1283 CZ TYR 557 4,313 36,513 39,986 1.00 63.56 6 ATOMO 1284 OH TYR 557 3,979 35,629 40,984 1.00 66.68 8 ATOM 1285 C TYR 557 4,676 40,515 34,849 1.00 41.96 6 ATOM 1286 OR TYR 557 5,445 41,446 35,115 1.00 41.33 8 ATOM 1287 N THR 558 4,298 40,319 33,594 1.00 36.77 7 ATOM 1288 CA THR 558 4,722 41,173 32,496 1.00 30.71 6 ATOM 1289 CB THR 558 5,260 40,269 31,364 1.00 30.82 6 ATOM. 1290 OG1 THR 558 6,237 39,395 31,942 1.00 30.47 8 ATOM 1291 CG2 THR 558 5,851 41,047 30,207 1.00 29.21 6 ATOM 1292 C THR 558 3,532 41,922 31,912 1.00 25.66 6 ATOMO 1293 OR THR 558 2,521 41,257 31,642 1.00 24.50 8 ATOM 1294 N LEO 559 3,689 43,202 31.609 1.00 21.00 7 ATOMO 1295 C? LEO 559 2,617 43,942 30,960 1.00 21.01 6 ATOM 1296 CB LEO 559 2,737 45,431 31,284 1.00 26.53 6 ATOM 1297 CG LEO 559 1,601 46,379 30,958 1.00 27.15 6 ATCMO 1298 CDl LEO 559 0.323 46.049 31.713 1.00 25.15 6 ATOM 1299 CD2 LEO 559 1,979 47,830 31,316 1.00 28.75 6 ATCMO 1300 C LEO 559 2,654 43,687 29,461 1.00 22.04 6 ATCMO 1301 OR LEO 559 3,711 43,618 28,844 1.00 22.64 8 ATOM 1302 H PHE 560 1,484 43,470 28,855 1.00 20.79 7 ATCMO 1303 C? PHE 560 1,430 43,290 27.409 1.00 19.10 6 ATOMO 1304 CB PHE 560 0.821 41.920 27.060 1.00 20.91 6 ATCMO 1305 CG PHE 560 1,848 40,832 27,216 1.00 19.50 6 ATCMO 1306 CDl PHE 560 1,971 40,190 28,442 1.00 24.86 6 ATOMO 1307 CD2 PHE 560 2,645 40,457 26.1S6 1.00 21.03 6 ATOM 1308 CEI PHB S60 2,903 39,157 28,588 1.00 29.44 6 ATOMO 1309 CE2 PHE 560 3,582 39,445 26,296 1.00 19.89 6 ATOMS 1310 CZ PHB 560 3,704 38,792 27,529 1.00 25.34 6 ÁTOMO 1311 c PHE 560 0.521 44.3S3 26.794 1.00 17.36 6 ? TOMO 1312 or PHE 560 -0.346 44.884 27.504 1.00 18.36 8 ATOM 1313 H SER 561 0.753 44,626 25,521 1.00 17.60 7 ATOM 1314 C? SER 561 -0,087 45,564 24,785 1.00 14.63 6 ATOM 1315 CB SER 561 0.744 46.716 24.188 1.00 20.14 6 ? VOLUME 1316 OG SER 561 -0,115 47,812 23.901 1.00 21.55 8 ATCMO 1317 C SBR 561 -0,662 44,829 23,561 1.00 18.96 6 ATOM 1318 OR SER 561 0.101 44,113 22.894 1.00 19.79 8 ? TOMO 1319 H SER 562 -1,921 45,070 23,232 1.00 16.19 7 ? TOMO 1320 C? SBR S62 -2,518 44,462 22,049 1.00 16.74 6 ATCMO 1321 CB SBR 562 -4,029 44,188 22,233 1.00 16.78 6 ATOMO 1322 OG SER 562 -4,801 45,336 21,900 1.00 21.00 8 ATOM 1323 C SER 562 -2,322 45,381 20,845 1.00 18 .24 6 TCMO 1324 OR SER 562 -1,949 46,561 20,987 1.00 16.85 8 ATOMO 1325 H LYS 563 -2,535 44,839 19,652 1.00 17.96 7 ATOM 1326 C? LYS 563 -2,484 45,663 18,445 1.00 17.36 6 ATOM 1327 CB LYS 563 -2,369 44,909 17,133 1.00 20.94 6 ATOM 1328 CG LYS 563 -1,228 43,981 16,902 1.00 25.34 6 ATOMO 1329 CD LYS 563 0.128 44.595 16.685 1.00 29.02 6 ATOM 1330 CB LYS S63 0.954 43.735 15.721 1.00 42.35 6 ATOM 1331 HZ LYS 563 - 0.495 42.308 15.692 1.00 38 .14 7 ATOM 1332 C LYS 563 -3,821 46,400 18,391 1.00 17.27 6 ATON 1333 OR LYS 563 -4,817 45,960 18,978 1.00 16.54 8 ATOM 1334 N PRO 564 -3,840 47,518 17,696 1.00 18.39 7 ATON 1335 CD PRO 564 -2,702 48,123 16,952 1.00 20.79 6 ATOM 1336 C? PRO 564 -5,060 48,294 17,556 1.00 19.84 6 ATOMO 1337 CB PRO. 564 -4,545 49,689 17,142 1.00 17.33 6 ATOMO 1338 CG PRO 564 -3,254 49,450 16,475 1.00 21.76 6 ATOM 1339 C PRO 564 -6,032 47,697 16,528 1.00 19.62 6 ATOM 1340 OR PRO 564 -5,723 46,924 15,619 1.00 19.46 8 ATON 1341 H VAL 565 -7,295 48,033 16,674 1.00 17.22 7 ATOM 1342 C? VAL 565 -8,427 47,704 15,841 1.00 20.36 6 ATOM 1343 CB VAL 565 -9,405 46,676 16,450 1.00 20.84 6 ? TOMO 1344 CGl VAL 565 -10,418 46,223 15,404 1.00 20.46 6 ATOMO 1345 CG2 VAL 565 -8,699 45,391 16,899 1.00 23 .72 6 ATON 1346 C VAL 565 -9,173 49,033 15,590 1.00 22.05 6 ATO OR 1347 OR VAL 565 -9.532 49.772 16.499 1.00 22.10 8 ATOMO 1348 N THR 566 -9,444 49,317 14,320 1.00 24.93 7 TCMO 1349 C? THR 566 -10,111 50,549 13,939 1.00 26.07 6 ATOMS 1350 CB HR 566 -9,631 51,082 12.S79 1.00 31.66 6 ATCMO 1351 OG1 THR 566 -9,737 50,055 11,569 1.00 38.39 8 ATCMO 1352 CG2 THR 566 -8,180 51,513 12,694 1.00 23.71 6 ATOM 1353 C THR 566 -11,611 50,269 13,990 1.00 25.06 6 ? TOMO 1354 OR THR 566 -11,985 49,330 13,244 1.00 21.88 8 ATCMO 1355 H ILE 567 -12,362 50,988 14,714 1.00 21.40 7 ATCMO 1356 C? XLE 567 -13,784 50,959 14,909 1.00 25.06 6 ATOM 1357 CB XLE 567 -14,088 50,702 16,424 1.00 26.21 6 ATCMO 1358 CG2 ILE 567 -1S.S88 50,707 16,673 1.00 26.68 6 ATCMO 1359 CGl XLE 567 -13,415 49,394 16,825 1.00 26.56 6 ATOMO 1360 CDl ILE 567 -13,946 48,548 17,939 1.00 30.83 6 ATOM .1361 C XLE 567 -14,416 52,294 14,501 1.00 24.36 6 ATON 1362 OR ILE 567 -14,013 53,384 14,920 1.00 23.36 8 ATOM 1363 N THR 568 -15,412 52,275 13,630 1.00 22.83 7 ATCMO 1364 C? THR 568 -16,083 53,461 13,152 1.00 27.27 6 ATCMO 1365 CB THR 568 -15,945 53,600 11,622 1.00 31.88 6 ATOMO 1366 OG1 THR 568 -14,565 53,495 11,277 1.00 32.11 8 ATOMO 1367 CG2 THR 568 -16,462 54,972 11,179 1.00 34.54 6 ATOMO 1368 C THR 568 -17,575 53,452 13,951 1.00 28.53 6 ATOM 1369 OR THR 568 -18,190 52,383 13,508 1.00 32.64 8 ATOMO 1370 N VAL 569 -18,090 54,606 13,863 1.00 23.55 7 ? TOMO 1371 C? VAL 569 -19,472 54,855 14,163 1.00 27.27 6 ATCMO 1372 CB VAL 569 -19,728 55,507 15,523 1.00 28.51 6 ATOM 1373 CGl VAL 569 -21,227 55,733 15,757 1.00 26.42 6 ATOM 1374 CG2 VAL 569 -19,189 54,706 16,696 1.00 27.97 6 ? TOMO 1375 C VAL 569 -20,011 5S.844 13,098 1.00 32.65 6 TCMO 1376 OR VAL 569 -19,332 56,810 12,710 1.00 33.21 8 ATCMO 1377 N GLN 570 -21,245 55,670 12,689 0.01 33.85 7 TCMO 1378 C? GLN 570 -21,966 56,476 11,737 0.01 35.75 6 ? TOMO 1379 CB GLN 570 -23,335 56,839 12,362 0.01 36.48 6 ATOMO 1380 CG GLN 570 -24,465 56,854 11,347 0.01 37.54 6 ATCMO 1381 CD GLN 570 -25,478 55,756 11,599 0.01 37.91 6 ÁTOMO 1382 OEl GLN 570 -25,142 54,680 12,096 0.01 38.17 8 ATCMO 1383 NB2 GLN 570 -26,735 56,020 11,257 0.01 38.21 7 ATCMO 1384 C GLN 570 -21,355 57,778 11,241 0.01 36.70 6 ATOM 1385 OR GLN 570 -21,049 58,699 11,995 0.01 36.81 8 ATOMO 1386 N VAL 571 -21,273 57,907 9,919 0.01 37.51 7 ATCMO 1387 C? VAL 571 -20,781 59,094 9,240 0.01 38.20 6 ATCMO 1388 CB VAL 571 -19,483 59,658 9,842 0.01 38.61 6 ATCMO 1389 CGl VAL 571 -18,334 58,667 9,681 0.01 38.88 6 ATCMO 1390 CG2 VAL 571 -19,115 60,985 9.1B0 0.01 38.83 6 ATCMO 1391 C VAL S71 -20,587 58,818 7,750 0.01 38.42 6 ATCMO 1392 OR VAL 571 -21,420 59,293 6,949 0.01 38.53 8 ATOMO 1 owo WAT 601 -13.958 32.760 19.930 1.00 18.36 8 ATOMO 2 OWO WAT 602 -13,653 59,625 23,320 1.00 24.59 8 ATOMO 3 OWO WAT 603 -5,895 43,456 18,965 1.00 14.T4 8 ATCMO 4 OWO WAT 604 -9,519 28,178 30,514 1.00 42.11 8 ? VOLUME 5 swo WAT 605 -8,700 36,412 28,355 1.00 21.65 8 ? TCMO 6 swo WAT 606 -25,548 35,202 7,898 1.00 24.88 8 ÁTOMO 7 owo WAT 607 -2,902 48,395 31,897 1.00 19.13 8 ATOMO 8 swo WAT 608 -14,303 55,610 23,676 1.00 24.28 8 ÁTOMO 9 owo WAT 609 -10,371 38,314 29,076 1.00 27.73 8 ATCMO 10 swo WAT 610 -12,433 34,237 21,505 1.00 14.04 8 ÁTOMO 11 owo WAT 611 -5,417 53,367 21,002 i.00 16.89 8 ATCMO 12 owo WAT 612 -29,599 18,069 11,595 1.00 34.62 8 ATCMO 13 owo WAT 613 -17,813 30,679 2,648 1.00 16.34 8 ATOM 14 swo WAT 614 -6,656 42,551 16,413 1.00 24.31 8 ATOMO 15 swo WAT 615 -21,191 20,720 5,335 1.00 30.05 8 ATOM 16 swo WAT. 616 -15,621 34,100 18,319 1.00 18.82 8 TOMO 17 swo WAT 617 -6,528 44,456 14,460 1.00 26.68 8 ATOMO 18 owo WAT 618 -6,213 31,143 22,792 1.00 19.89 8 ATCMO 19 swo WAT 619 -12,935 32,992 24.109 1.00 29.95 8 ATCMO 20 swo WAT 620 2,277 38,630 20,953 1.00 28.34 8 ATOMO 21 owo WAT 621. -20,151 29,522 0.183 1.00 21.62 8 ATOMO 22 owo WAT 622 -27,773 35,663 6,295 1.00 20.74 8 ATOMO 23 owo WAT 623 0.481 42.002 19.811 1.00 24.67 8 ATCMO 24 swo WAT 624 -17,815 32,952 1,120 1.00 26.99 8 ATOMO 25 owo WAT 625 -16,604 36.IOS 25,523 1.00 18.45 8 ATCMO 26 owo WAT 626 0.330 41.286 22.516 1.00 29.01 8 ATOMO 27 owo WAT 627 -13,324 59,911 17,129 1.00 40.98 8 ATOMO 28 owo WAT 628 -9,214 59,486 22,450 1.00 41.91 8 ATOMO 29 swo WAT 629 -20,146 18,596 13,850 1.00 50.03 8 TOMO 30 OWO WAT 630 -21,707 20,513 12,325 1.00 18.46 8 ? TOMO 31 swo WAT 631 -15,403 33,699 25,599 1.00 21.44 8 ATOMO 32 OWO WAT 632 -12,703 37,608 30,174 1.00 37.28 8 ATOMO 33 OWO WAT 633 -12,479 39,466 39,250 1.00 23.78 8 ATCMO 34 owo WAT 634 -13.921 41.406 9.106 1.00 40.49 8 ATCMO 35 owo WAT 635 -7,230 28,485 24,432 1.00 41.81 8 ATCMO 36 swo WAT 636 -2,989 42,185 19,344 1.00 17.29 8 ATCMO 37 swo WAT 637 -12,865 25,830 10,180 1.00 47.19 8 ATCMO 38 owo WAT 638 -2,754 32,875 13,259 1.00 35.75 8 ATOMO 39 OWO WAT 639 -17,416 43,258 26,641 1.00 32.09 8 ATOM. 40 swo WAT 640 -31,068 25,287 10,888 1.00 20.85 8 ATOMO 41 swo WAT 641 -17,725 28,881 21,261 1.00 25.43 8 ? TOMO 42 swo WAT 642 -32,760 35,615 6,079 1.00 38.04 8 ATOMO 43 owo WAT 643 -14,079 28,493 25,218 1.00 20.23 8 ATOMO 44 owo WAT 644 -16,644 22,930 -2,315 1.00 34.00 8 ATOMO 45 owo WAT 645 -1.790 38.223 35.518 1.00 30.63 8 ATOMO 46 owo WAT 646 -10,026 24,026 13,639 1.00 31.10 8 ÁTOMO 47 owo WAT 647 -11,096 60,328 24,599 1.00 33.25 8 ATOMO 48 owo WAT 648 -19,457 27,850 -2,970 1.00 36.68 8 ATOM 49 swo WAT 649 -18,578 40,758 26,756 1.00 30.86 8 ATCMO 50 owo WAT 650 -11,119 22,191 16,190 1.00 37.83 8 ATOMO 51 owo WAT 651 -2,583 24,179 28,032 1.00 73.18 8 ? TCMO 52 owo WAT 652 -0.243 25.713 22.803 1.00 34.15 8 ? TCMO 53 owo WAT 653 -33,328 18,701 10,255 1.00 23.17 8 ÁTOMO 54 owo WAT 654 -22,212 13,985 5,080 1.00 51.41 8 ATOMO 55 swo WAT 655 -21,393 16,945 11,680 1.00 31.47 8 ÁTOMO 56 owo WAT 656 -37,174 28,484 4,349 1.00 36.66 8 ÁTOMO 57 owo WAT 657 -23,291 46,916 13,981 1.00 4S.02 8 ? TOMO 58 owo WAT 6S8 -31.521 20.732 5.404 1.00 28.19 8 ? TOMO 59 swo WAT 659 -11,904 22,697 8,209 1.00 61.39 8? VOLUME 60 swo WAT 660 -7,393 64,706 24,668 1.00 45.96 8 ATCMO 61 swo WAT 661 -12,356 29,912 23,727 1.00 23.77 8 ATCMO 62 owo WAT 662 -33,898 31,788 7,353 1.00 32.96 8 ATCMO 63 owo WAT 663 -28,502 48,102 25,478 1.00 58.40 8 ? TCMO 64 swo WAT 664 -23,414 63,056 18,427 1.00 35.16 8 TCMO 65 swo WAT 665 -4,792 26,235 16,778 1.00 44.49 8 TCMO 66 swo WAT 666 -28,509 23,145 -1,620 1.00 50.51 8 ATCMO 67 swo WAT 667 -19,685 32,378 -0,712 1.00 45.74 8 ÁTOMO 68 owo WAT 668 -10,899 26,379 23,620 1.00 43.61 8 ÁTOMO 69 owo WAT 669 1,033 27,146 20,128 1.00 34.52 8 ATOM 70 Swo WAT 670 -15,215 33,469 0.077 1.00 27.35 8 ATOMO 71 swo WAT 671 -8,748 20,877 16,508 1.00 51.59 8 ATCMO 72 owo WAT 672 -22,332 18.SS2 3,707 1.00 30.25 8 ÁTOMO 73 swo WAT 673 -23,373 30,095 17,610 1.00 22.44 8 ATCMO 74 swo WAT 674 -11,965 32,994 26,359 1.00 26.92 8 ATOMO 75 swo WAT 675 -35,793 29,720 7,198 1.00 27.19 8 ATOMO 76 swo WAT 676 -10,333 28,336 25,867 1.00 46.78 8 ÁTOMO 77 owo WAT 677 -17,230 31,681 24,852 1.00 26.22 8 ? TOMO 78 swo WAT 678 -17.594 49.434 30.830 1.00 32.58 8? TOMO 79 owo WAT 679 -8.561 33.163 32.884 1.00 37.04 8? TOMO 80 swo WAT 680 -16.374 29.101 -4.195 1.00 31.45 8 ATCMO 81 owo WAT 681 -1,995 30,537 24,946 1.00 36.64 8 ATOMO 82 swo WAT 682 -19,019 53,815 28,676 1.00 48.06 8 ATOM 83 swo WAT 683 -20,039 39,516 15,742 1.00 23.23 8 ATCMO 84 OWO WAT 684 -21.308 45,557 20,658 1.00 28.24 8 TCMO 85 owo WAT 685 -7,405 30,847 5,261 1.00 41.47 8 ATOMO 86 OWO WAT 686 -23,729 34,800 0.632 1.00 30.27 8 ÁTOMO 87 owo WAT 687 -15,826 60,771 23,946 1.00 41.94 8 ATOMO 88 owo AT '688 0.119 50.495 24.812 0.50 25.93 8 ATCMO 89 owo WAT 689 -3,397 45,987 42,245 1.00 29.87 8 ÁTOMO 90 owo WAT 690 -10,215 47,715 32,270 1.00 43.33 8 ÁTOMO 91 owo WAT 691 -8,440 35,757 33,883 1.00 34.09 8 na of Ha-oloßle of Receiver X «pellón Wa por V.C. * p * t eaedb ea the structure of .TogXXe by X. 1 643.1817 ATOMO 1 N VAL 1 36,442 43,253 22,184 1.00 0.14 1SG 2 ATCMO 2 CA VAL 1 37,922 43,321 22,176 1.00 0.14 1SG 3 ATOM 3 CB VAL 1 38,483 42,986 23,538 1.00 0.14 1SG 4 ATCMO 4 CGl VAL 1 38,026 44,080 24,516 1.00 0.14 1SG 5 ATCMO 5 CG2 VAL 1 38,051 41,576 23,970 1.00 0.14 1SG 6 ATCMO 6 C VAL 1 38,614 42.SOS 21,119 1.00 0.14 1SG 7 TCMO 7 O VAL 1 .39.758 42.821 20.796 1.00 0.14 1SG 8 ?I TAKE . 8 N PRO 2 38,026 41,492 20,533 1.00 0.15 1SG 9 ATCMO 9 CA PRO 2 38,761 40,840 19,488 1.00 0.15 1SG 10 ATOM 10 CD PRO 2 37,208 40,531 21,266 1.00 0.15 1SG 11 ATOM 11 CB PRO 2 38,099 39,483 19,270 1.00 0.15 1SG 12 ATOMO 12 CG PRO 2 37,502 39,155 20,647 1.00 0.15 1SG 13 ATOMO 13 C PRO 2 38,754 41,707 18,276 1.00 0.15 1SG 14 ATOMS 14 OR PRO 2 37.885 42.569 18.163 1.00 0.15 1SG 15 ATOM 15 N GLN 3 39,714 41,495 17,359 1.00 0.19 1SG 16 ATOM 16 C? GLN 3 39,782 42,301 16,180 1.00 0.19 1SG 17 TCMO 17 CB GLN 3 40,951 41,913 15,260 1.00 0.19 1SG 18 TCMO 18 CG GLN 3 41,177 42,871 14,092 1.00 0.19 1SG 19 ATOM 19 CD GLN 3 42,430 42,400 13,369 1.00 0.19 1SG 20 ATCMO 20 O GLN 3 42,839 41,249 13,950 1.00 0.19 1SG 21 TCMO 21 NE2 GLN 3 43,063 43,312 12,584 1.00 0.19 1SG 22 ÁTOMO 22 C GLN 3 38,497 42,103 15,448 1.00 0.19 1SG 23 ATOMO 23 OR GLN 3 37,821 41,091 15,627 1.00 0.19 1SG 24 ATOM 24 N LYS 4 38,112 43,088 14,614 1.00 0.23 1SG 25 ATOMO 25 C? LYS 4 36,855 42,998 13,932 1.00 0.23 1SG 26 ATOMO 26 CB LYS 4 36,146 44,354 13,976 1.00 0.23 1SG 27 ATCMO 27 CG LYS 4 35,714 44,972 15,107 1.00 0.23 1SG 28 ATCMO 28 CD LYS 4 35,315 46,446 14.996 1.00 0.23 1SG 29 ATCMO 29 CE LYS 4 36,506 47,386 14,804 1.00 0.23 1SG 30 TCMO 30 HZ LYS 4 36,033 48,778 14,631 1.00 0.23 1SG 31 ATCMO 31 C LYS 4 37,089 42,464 12,560 1.00 0.23 1SG 32 ÁTOMO 32 O LYS 4 37,990 42,883 11,834 1.00 0.23 1SG 33 ATOMO 33 H PRO S 36,261 41,520 12,218 1.00 0.25 1SG 34 ATCMO 34 C? PRO 5 36,316 40,878 10,938 1.00 0.25 1SG 35 ATOMO 35 CD PRO 5 34,937 41,436 12,804 1.00 0.25 1SG 36 ATOM 36 CB PRO 5 35,140 39,910 10,930 1.00 0.25 1SG 37 ÁTOMO 37 CG PRO 5 34,094 40,656 11,780 1.00 0.25 1SG 38 TCMO 38 C PRO 5 36,086 41,953 9,932 1.00 0.25 1SG 39 ATOMO 39 0 PRO 5 35,464 42,958 10,275 1.00 0.25 1SG 40 ATOMO 40 N LYS 6 36,592 41,786 8,699 1.00 0.35 1SG 41 ATOM 41 C? LYS 6 36,336 42,790 7,714 1.00 0.35 1SG 42 ATOMO 42 CB LYS 6 37,597 43,344 7,030 1.00 0.35 1SG 43 ATOMO 43 CG LYS 6 38,418 44,275 7,924 1.00 0.35 1SG 44 ATOM 44 CD LYS 6 39,065 43,574 9.120 1.00 0.35 1SG 45 ÁTOMO 45 CE LYS 6 39,884 44,516 10,004 1.00 0.35 1SG 46 ÁTOMO 46 NZ LYS 6 40,469 43,767 11,137 1.00 0.35 1SG 47 ATOMO 47 C LYS 6 35,491 42,168 6,659 1.00 0.3S 1SG 48 ATOMO 48 0 LYS * 6 35,686 41,011 6,289 1.00 0.35 1SG 49 ATCMO 49 N VAL 7 34,498 42,928 6,165 1.00 0.35 1SG 50 ATOM 50 C? VAL 7 33,668 42,408 5,124 1.00 0.35 1SG 51 ATCMO 51 CB VAL 7 32,207 42,721 5,299 1.00 0.35 1SG 52 ATOMO 52 CGl VAL 7 32,014 44,247 5,280 1.00 0.35 1SG 53 ÁTOMO 53 CG2 VAL 7 31,423 41,985 4,200 1.00 0.3S 1SG 54 ÁTOMO 54 C VAL 7 34,132 43,039 3,857 1.00 0.35 1SG 55 ATCMO 55 0 VAL 7 34,313 44,254 3,783 1.00 0.35 1SG 56 ÁTOMO 56 N SER 8 34,363 42,211 2,825 1.00 0.17 1SG 57 ATCMO 57 C? SER 8 34,831 42,734 1,580 1.00 0.17 1SG 58 ATOMO 58 CB SER 8 36,059 41,994 1,024 1.00 0.17 1SG 59 ATCMO 59 OG SER 8 36,458 42,571 -0,210 1.00 0.17 1SG 60 ATCMO 60 C SER 8 33.-733 42,575 0.586 1.00 0.17 1SG 61 ATCMO 61 OR SBR 8 33,030 41,566 0.575 1.00 0.17 1SG 62 ÁTOMO 62 N LEO 9 33,552 43,593 -0,272 1.00 0.11 1SG 63 ATCMO 63 C? LEU 9 32,519 43,525 -1,257 1.00 0.11 1SG 64 ATOM 64 CB LEO 9 31,563 44,731 -1,198 1.00 0.11 1SG 65 ATOMO 65 CG LEO 9 30,442 44,709 -2,253 1.00 0.11 1SG 66 ATOMO 66 CD2 LEO 9 29,725 46,068 -2,316 1.00 0.11 1SG 67 ÁTOMO 67 CDl LEO 9 29,474 43,536 -2,025 1.00 0.11 1SG 68 ÁTOMO 68 C LEO 9 33,175 43,554 -2,597 1.00 0.11 1SG 69 ATOMO 69 OR LEO 9 33,992 44,428 -2,883 1.00 0.11 1SG 70 ATOMO 70 N? SN 10 32,851 42,565 -3,450 1.00 0.17 1SG 71 ATCMO 71 CA ASN 10 33.401 42.565 -4.771 1.00 0.17 1SG 72 ÁTOMO 72 CB ASN 10 34.406 41.428 -5.011 1.00 0.17 1SG 73 ÁTOMO 73 CG ASN 10 35,623 41,693 -4,139 1.00 0.17 1SG 74 ATCMO 74 OD1 ASN 10 35.830 41.018 -3.132 1.00 0.17 1SG 75 ÁTOMO 75 ND2? SN 10 36,451 42,698 -4,532 1.00 0.17 1SG 76 ATCMO 76 C ASM 10 32,257 42,340 -5,702 1.00 0.17 1SG 77 ÁTOMO 77 OR ASN 10 31,543 41,346 -5,585 1.00 0.17 1SG 78 ATOMO 78 N PRO 11 32,037 43,241 -6,615 1.00 0.35 lSß 79 ÁTOMO - 79 C? PRO 11 32,836 44,431 -6,695 1.00 0.35 1SG 80 ATOMO 80 CD PRO 11 31,554 42,825 -7,923 1.00 0.35 1SG 81 ? TOMO 81 CB PRO 11 32.565 45.023 -8.076 1.00 0.35 1SG 82 ATCMO 82 CG PRO 11 32.180 43.B03 -8.930 1.00 0.35 1SG 83 ATCMO 83 C PRO 11 32,450 45,345 -5,579 1.00 0.35 1SG 84 ATOM 84 OR PRO 11 31,441 45,098 -4,920 1.00 0.35 1SG 85 ATCMO 85 H PRO 12 33,234 46,363 -5,359 1.00 0.52 1SG 86 ATOMO 86 C? PRO 12 32,980 47,289 -4,289 1.00 0.52 1SG 87 ATOMO 87 CD PRO 12 34,649 46,281 -5,684 1.00 0.52 1SG 88 ÁTOMO 88 CB PRO 12 34.259 48.107 -4.134 1.00 0.52 1SG 89 ATOMO 89 CG PRO 12 35,360 47,165 -4,647 1.00 0.52 1SG 90 ATOMO 90 C PRO 12 31,775 48,132 -4,544 1.00 0.52 1SG 91 ATOMO 91 OR PRO 12 31,347 48,837 -3,632 1.00 0.52 1SG 92 ÁTOMO 92 H TRP 13 31,217 48,087 -5,767 1.00 0.3S 1SG 93 ATOM 93 C? TRP 13 30,116 48,944 -6,099 1.00 0.35 1SG 94 ATOM 94 CB TRP 13 29,535 48,655 -7,492 1.00 0.35 1SG 95 ATOMO 95 CG TRP 13 30.569 48.725 -8.590 1.00 0.35 1SG 96 ATONO 96 CD2 TRP 13 31,368 49,880 -8,883 1.00 0.35 1SG 97 TCMO 97 CDl TRP 13 30.982 47.743 -9.442 1.00 0.35 1SG 98 ? TOMO 98 NEI TRP 13 31,981 48,216 -10,257 1.00 0.35 1SG 99 ÁTOMO 99 CE2 TRP 13 32.232 49.530 -9.921 1.00 0.35 1SG 100 ATOMUS 100 CE3 TRP 13 31,389 51,127 -8,327 1.00 0.35 1SG 101 ? TOMO 101 CZ2 TRP 13 33,131 50,426 -10,422 1.00 0.35 1SG 102 ÁTOMO 102 CZ3 TRP 13 32,292 52,032 -8,839 1.00 0.35 1SG 103 ATOMO 103 CH2 TRP 13 33.145 51.6B7 -9.867 1.00 0.35 1SG 104 ÁTOMO 104 C TRP 13 29,028 48,729 -5,094 1.00 0.35 1SG 105 ? TCMO 105 O TRP 13 28,536 47,615 -4,920 1.00 0.35 1SG 106 ÁTOMO 106 N ASH 14 28,646 49,808 -4,379 1.00 0.15 1SG 107 ATOM 107 C? ? SH 14 27.615 49.722 -3.385 1.00 0.15 1SG 108 ATOM 108 CB ASN 14 27,490 50,980 -2,504 1.00 0.15 1SG 109 ATOMO 109 CG ASN 14 26,978 52,146 -3,340 1.00 0.15 1SG 110 ATOM 110 OD1 ASN 14 27.409 52.366 -4.471 1.00 0.15 1SG 111 ATCMO 111 HD2 ASN 14 26,008 52,913 -2,773 1.00 0.15 1SG 112 ÁTOMO 112 C ASH 14 26,300 49,521 -4,065 1.00 0.15 1SG 113 ? TOMO 113 OR ASH 14 25.463 48.747 -3.602 1.00 0.15 1SG 114 ÁTOMO 114 N ARG 15 26,087 50,221 -5,196 1.00 0.13 1SG 115 ATOMO 115 C? ARG 15 24,834 50,135 -5,884 1.00 0.13 1SG 116 ÁTOMO 116 CB ARG 15 24,365 51,472 -6,487 1.00 0.13 1SG 117 ÁTOMO 117 CG ARG 15 24,050 52,558 -5.45B 1.00 0.13 1SG 118 ATOM 118 CD ARG 15 23,590 53,872 -6,094 1.00 0.13 1SG 119 ATOMO 119 NB ARG 15 23,349 54.B44 -4,990 1.00 0.13 1SG 120 ? TOMO 120 CZ ARG 15 22,138 55,461 -4,864 1.00 0.13 1SG 121 ÁTOMO 121 HHl ARG 15 21,143 55,212 -5,764 1.00 0.13 1SG 122 ÁTOMO 122 NH2 ARG 15 21,924 56,330 -3,833 1.00 0.13 1SG 123 ? TOMO 123 C ARG 15 25,033 49,218 -7,039 1.00 0.13 1SG 124 ATOM 124 or ARG 15 25,976 49,374 -7,813 1.00 0.13 1SG 125 ATCMO 125 N ILE 16 24,144 48,220 -7,185 1.00 0.12 1SG 126 ATOMO 126 C? XLB 16 24,295 47,330 -8,294 1.00 0.12 1SG 127 ATOM 127 CB XLE 16 24,817 45,969 -7.92B 1.00 0.12 1SG 128 ? VOLUME 128 CG2 ILE 16 26,224 46,139 -7,331 1.00 0.12 1SG 129 TCMO 129 CGl XLE 16 23,828 45,237 -7,005 1.00 0.12 1SG 130 ATOM 130 CDl ILB 16 24,141 43,749 -6,850 1.00 0.12 1SG 131 ÁTOMO 131 C ILE 16 22,948 47,120 -8,892 1.00 0.12 1SG 132 ÁTOMO 132 0 ILE 16 21,939 47,597 -8,374 1.00 0.12 1SG 133 ATOM 133 N PHE 17 22,919 46,404 -10,030 1.00 0.17 1SG 134 ATOMO 134 C? PHE 17 21,684 46,108 -10,688 1.00 0.17 1SG 135 ÁTOMO 135 CB PHB 17 21,755 46,075 -12,223 1.00 0.17 1SG 136 ATOMO 136 CG PHE 17 21,919 47,447 -12,765 1.00 0.17 1SG 137 ATOMO 137 CDl PHE 17 20,844 48,303 -12,811 1.00 0.17 1SG 138 ATOMO 138 CD2 PHE 17 23,137 47,862 -13,248 1.00 0.17 1SG 139 ATOMO 139 CEI PHB 17 20,984 49,568 -13,324 1.00 0.17 1SG 140 ATOM 140 CE2 PHB 17 23.283 49.126 -13.764 1.00 0.17 1SG 141 ? TOMO 141 CZ PHE 17 22,205 49,976 -13,800 1.00 0.17 1SG 142 ATOMO 142 C PHE 17 21,314 44,719 -10,316 1.00 0.17 1SG 143 ATCMO 143 OR PHB 17 22,151 43,922 -9,896 1.00 0.17 1SG 144 ATCMO 144 N LYS 18 20,018 44,402 -10,462 1.00 0.22 1SG 145 ATOMO 14S C? LYS 18 19,571 43,082 -10,162 1.00 0.22 1SG 146 ATOMO 146 CB LYS 18 18,040 42,943 -10,187 1.00 0.22 1SG 147 ÁTOMO 147 CG LYS 18 17,424 43,301 -11,539 1.00 0.22 1SG 148 ATOM 148 CD LYS 18 15,961 42,882 -11,672 1.00 0.22 1SG 149 ATOMO 149 CE LYS 18 15,353 43,196 -13,039 1.00 0.22 1SG 150 ATONO 150 NZ LYS 18 14,014 42,574 -13,142 1.00 0.22 1SG 151 ATOMO 151 C LYS 18 20,141 42,189 -11,210 1.00 0.22 1SG 152 ÁTOMO 152 O LYS 18 20,335 42,596 -12,355 1.00 0.22 1SG 153 ATOMUS 153 N GLY 19 20,455 40,940 -10,824 1.00 0.21 1SG 154 ATOMO 154? GLY 19 20,986 40,005 -11,767 1.00 0.21 1SG 155 ATOM 155 C GLY 19 22,474 40,059 -11,692 1.00 0.21 1SG 156 ATOMO 156 or GLY 19 23,160 39,196 -12,236 1.00 0.21 1SG 157 ATOMUM 157 N GLU 20 23,017 41,079 -11,005 1.00 0.23 1SG 158 ATOM 158 C? GLU 20 24,442 41,177 -10,910 1.00 0.23 1SG 159 ATOMO 159 CB GLU 20 24,940 42,579 -10,523 1.00 0.23 1SG 160 ATOM 160 CG GLU 20 24,680 43,613 -11,619 1.00 0.23 1SG 161 ATCMO 161 CD GLU 20 25,391 43,115 -12,870 1.00 0.23 1SG 162 ÁTOMO 162 OEl GLU 20 26,556 42,653 -12,741 1.00 0.23 1SG 163 ATCMO 163 OE2 GLU 20 24,774 43,175 -13,967 1.00 0.23 1SG 164 ÁTOMO 164 C GLO 20 24,897 40,218 -9,864 1.00 0.23 1SG 165 ÁTOMO 165 O GLU 20 24.122 39.806 -9.001 1.00 0.23 1SG 166 ATOMO 166 N? SH 21 26,181 39,822 -9,930 1.00 0.16 1SG 167 ATOMO 167 C? ? SH 21 26,694 38,898 -8.96S 1.00 0.16 1SG 168 ATOMO 168 CB? SN 21 27,686 37,880 -9,553 1.00 0.16 1SG 169 ATOMO 169 CG? SN 21 26,895 36,971 -10,481 1.00 0.16 1SG 170 ATOM 170 OD1? SN 21 25,671 36,909 -10,394 1.00 0.16 1SG 171 ÁTOMO 171 ND2? SH 21 27.602 36.251 -11.392 1.00 0.16 1SG 172 ÁTOMO 172 C ASN 21 27,415 39,694 -7,933 1.00 0.16 1SG 173 TCMO 173 OR ASH 21 28.121 40.652 -8.246 1.00 0.16 1SG 174 ? TOMO 174 N VAL 22 27.217 39.327 -6.654 1.00 0.07 1SG 175 ? TCMO 175 C? VAL 22 27,876 40,026 -5,596 1.00 0.07 1SG 176 ÁTOMO 176 CB VAL 22 26,922 40,670 -4,632 1.00 0.07 1SG 177 ATOMO 177 CGl VAL 22 27,727 41,288 -3,478 1.00 0.07 1SG 178 ATCMO 178 CG2 VAL 22 26,056 41,681 -5,405 1.00 0.07 1SG 179 ATOMO 179 C VAL 22 28,661 39,015 -4,836 1.00 0.07 1SG 180 ATOMO 180 O VAL 22 28,186 37,907 -4,590 1.00 0.07 1SG 181 ÁTOMO 181 H THR 23 29.908 39.362 -4.469 1.00 0.06 1SG 182 ATON 182 C? THR 23 30,692 38,440 -3.706 1.00 0.06 1SG 183 ? T0MO 183 CB THR 23 31,980 38,047 -4,368 1.00 0.06 1SG 184 ATCMO 184 OG1 THR 23 31,714 37,430 -5,619 1.00 0.06 1SG 185 ATOMO 185 CG2 THR 23 32,727 37,067 -3,446 1.00 0.06 1SG 186 ATCMO 186 C THR 23 31,044 39,117 -2,425 1.00 0.06 1SG 187 ATOMO 187 OR THR 23 31,577 40,225 -2,418 1.00 0.06 1SG 188 ÁTOMO 188 N LEO 24 30,731 38,460 -1,295 1.00 0.06 1SG 189 ATOM 189 C? LEO 24 31,057 39,021 -0,020 1.00 0.06 1SG 190 ATOMO 190 CB LEO 24 29,871 39,048 0.956 1.00 0.06 1SG 191 ATOM 191 CG "LEU 24 28,702 39,930 0.479 1.00 0.06 1SG 192 ATOMO 192 CD2 LEU 24 29,182 41,346 0.123 1.00 0.06 1SG 193 ATOMO 193 CDl LEU 24 27,548 39,924 1,495 1.00 0.06 1SG 194 ATOMO 194 C LEU 24 32,076 38,112 0.572 1.00 0.06 1SG 195 ÁTOMO 195 O LEO 24 31.886 36.898 0.615 1.00 0.06 1SG 196 ATOM 196 N THR 25 33,206 38,678 1,030 1.00 0.28 1SG 197 TOMO 197 C? THR 25 34,202 37,838 1,616 1.00 0.28 1SG 198 ? TCMO 198 CB THR 25 35,507 37,852 0.876 1.00 0.28 1SG 199 ATCMO 199 OG1 THR 25 35,319 37,412 -0,461 1.00 0.28 1SG 200 ATOMUM 200 CG2 THR 25 36,496 36,927 1,605 1.00 0.28 1SG 201 ATOMO 201 C THR 25 34,460 38,367 2,979 1.00 0.28 1SG 202 ATOMO 202 OR THR 25 34,579 39,572 3,187 1.00 0.28 1SG 203 ATOM 203 N CYS 26 34,543 37,462 3,960 1.00 0.52 1SG 204 ATOM 204 C? CYS 26 34,770 37,922 5,286 1.00 0.52 1SG 205 ATOMO 205 CB CYS 26 33,724 37,332 6,226 1.00 0.52 1SG 206 ATOMO 206 SG CYS 26 33,905 37,844 7,940 1.00 0.52 1SG 207 ATOMO 207 C CYS 26 36,111 37,410 5,681 1.00 0.52 1SG 208 ATOMO 208 OR CYS 26 36,327 36,201 5,748 1.00 0.52 1SG 209 ATOMUM 209 N ASH 27 37,050 38,332 5,961 1.00 0.35 1SG 210 ATOM 210 C? ASH 27 38,377 37,918 6,298 1.00 0.35 1SG 211 ATOM 211 CB ASH 27 39,472 38,673 5,527 1.00 0.35 1SG 212 ? TOMO 212 CG? SH 27 39.389 40.140 5.927 1.00 0.35 1SG 213 ATOMO 213 OD1? SH 27 38,320 40,747 5,897 1.00 0.35 1SG 214 ? TCMO 214 HD2? SH 27 40,549 40,726 6,326 1.00 0.35 1SG 215 ATOMUS 215 C? SH 27 38,595 38,211 7,743 1.00 0.35 1SG 216 ATOMO 216 OR ASH 27 37,972 39,107 8,310 1.00 0.35 1SG 217 TOMO 217 H GLY 28 39,483 37,427 8.3B1 1.00 0.15 1SG 218 ATOM 218 C? GLY 28 39,779 37,636 9,765 1.00 0.15 1SG 219 ÁTOMO 219 C GLY 28 40,251 36,330 10,306 1.00 0.15 1SG 220 ATCMO 220 OR GLY 28 40,302 35,333 9,587 1.00 0.15 1SG 221 ATOMO 221 H ASH 29 40,604 36,299 11,606 1.00 0.16 1SG 222 ATOM 222 C? ASH 29 41,053 35,065 12,173 1.00 0.16 1SG 223 ATOM 223 CB? SN 29 41,554 35,176 13,624 1.00 0.16 1SG 224 ATOMO 224 CG? SH 29 42,895 35,895 13,621 1.00 0.16 1SG 225 ATOM 225 OD1? SH 29 43,494 36,131 12,573 1.00 0.16 1SG 226 ? TOMO 226 HD2? SH 29 43,391 36,241 14,838 1.00 0.16 1SG 227 ÁTOMO 227 C? SH 29 39,883 34,143 12,168 1.00 0.16 1SG 228 ATOMO 228 O? SH 29 38,741 34,566 12,336 1.00 0.16 1SG 229 ÁTOMO 229 H? SH 30 40,148 32,843 11,949 1.00 0.16 1SG 230 ATOM 230 C? SH 30 39,080 31,893 11,889 1.00 0.16 1SG 231 ATOMO 231 CB ASH 30 38,855 31,359 10,468 1.00 0.16 1SG 232 ÁTOMO 232 CG ASN 30 37,718 30,355 10,511 1.00 0.16 1SG 233 ATOM 233 OD1? SN 30 36,716 30,535 11,200 1.00 0.16 1SG 234 ATOM 234 HD2 ASN 30 37,899 29,239 9,758 1.00 0.16 1SG 235 ATOMO 235 C ASH 30 39,436 30,721 12,744 1.00 0.16 1SG 236 ATOMO 236 OR ASW 30 40,609 30,390 12,909 1.00 0.16 1SG 237 TCMO 237 H PHB 31 38.409 30.073 13.332 1.00 0.12 1SG 238 TCMO 238 C? PHE 31 38,628 28,899 14,123 1.00 0.12 1SG 239 ? TOMO 239 CB PHE 31 37,510 28,639 15,146 1.00 0.12 1SG 240 ATCMO 240 CG PHE 31 37,857 27.404 15.902 1.00 0.12 1SG 241 ATOMO 241 CDl PHE 31 38,774 27,447 16,927 1.00 0.12 1S6242 ATOMO 242 CD2 PHB 31 37,260 26,205 15,592 1.00 0.12 1SG 243 ATCMO 243 CEI PHE 31 39,092 26,310 17,631 1.00 0.12 1SG 244 ATOM 244 CE2 PHB 31 37,575 25,064 16,292 1.00 0.12 1SG 245 ÁTOMO 245 CZ PHB 31 38,495 25,115 17,312 1.00 0.12 1SG 246 ATCMO 246 C PHE 31 38,639 27,765 13,155 1.00 0.12 1SG 247 TOMO 247 O PHE 31 38,118 27,888 12,049 1.00 0.12 1SG 248 TCMO 248 H PHE 32 39,248 26,626 13,528 1.00 0.11 1SG 249 ATOMO 249 C? PHE 32 39,265 25,565 12,570 1.00 0.11 1SG 250 TCMO 250 CB PHE 32 40,426 24,579 12,773 1.00 0.11 1SG 251 ? TOMO 251 CG PHE 32 41,663 25,381 12,563 1.00 0.11 1SG 252 ATCMO 252 CDl PHE 32 42,195 26.109 13.602 1.00 0.11 1SG 253 ATOMO 253 CD2 PHE 32 42,284 25,417 11,337 1.00 0.11 1SG 254 ÁTOMO 254 CEI PHE 32 43,335 26,857 13,428 1.00 0.11 1SG 255 ATCMO 255 CE2 PHB 32 43,424 26,164 11,157 1.00 0.11 1SG 256 ATOM 256 CZ PHB 32 43,952 26,885 12,201 1.00 0.11 1SG 257 ATOMO 257 C PHB 32 37,980 24,827 12,710 1.00 0.11 1SG 258 ATOM 258 OR PHE 32 37,879 23,858 13,460 1.00 0.11 1SG 259 ATOM 259 N GLO 33 36,949 25,287 11,977 1.00 0.10 1SG 260 ATOM 260 C? GLO 33 35,673 24,643 12,038 1.00 0.10 1SG 261 ÁTOMO 261 CB GLU 33 34,682 25,327 12,994 1.00 0.10 1SG 262 ÁTOMO 262 CG GLU 33 34,364 26,773 12,610 1.00 0.10 1SG 263 ATCMO 263 CD GLU 33 33,383 27,314 13,638 1.00 0.10 1SG 264 ÁTOMO 264 OEl GLU 33 32,437 26,565 13,999 1.00 0.10 1SG 265 ATOMO 265 OE2 GLU 33 33,567 28,481 14,077 1.00 0.10 1SG 266 ÁTOMO 266 C GLO 33 35,076 24,698 10,672 1.00 0.10 1SG 267 ATOMO 267 OR GLO 33 35,453 25,532 9,849 1.00 0.10 1SG 268 ATCMO 26B N VAL 34 34,130 23,784 10,391 1.00 0.09 1SG 269 ATOM 269 C? VAL 34 33,509 23,763 9.103 1.00 0.09 1SG 270 TCMO 270 CB VAL 34 32,562 22,612 8,943 1.00 0.09 1SG 271 ÁTOMO 271 CGl VAL 34 31,945 22,676 7,538 1.00 0.09 1SG 272 ÁTOMO 272 CG2 VAL 34 33.33S 21.310 9.215 1.00 0.09 1SG 273 ? TOMO 273 C VAL 34 32,742 25,032 8,926 1.00 0.09 1SG 274 TCMO 274 OR VAL 34 32,854 25,693 7,895 1.00 0.09 1SG 275 ÁTOMO 275 N SER 35 31.953 25.431 9.942 1.00 0.11 1SG 276 ATOM 276 C? SBR 35 31,202 26,645 9,800 1.00 0.11 1SG 277 ATOMO 277 CB SER 35 29,838 26,613 10,522 1.00 0.11 1SG 278 ? TCMO 278 OG SBR 35 30,011 26,400 11,915 1.00 0.11 1SG 279 ATOMO 279 C SER 35 32,033 27.743 10,378 1.00 0.11 1SG 280 ATOMO 280 OR SER 35 31.856 28,153 11,524 1.00 0.11 1SG 281 ATOMO 281 N SER 36 32,974 28,249 9,563 1.00 0.27 1SG 282 TCMO 282 C? SER 36 33.906 29.251 9.984 1.00 0.27 1SG 283? TOMO 283 CB SER 36 34.962 29.539 8.905 1.00 0.27 1SG 284 ATOMO 284 OG SER 36 35,648 28,343 8,571 1.00 0.27 1SG 285 ÁTOMO 285 C SER 36 33,204 30,541 10,256 1.00 0.27 1SG 286 ATOMO 286 OR SER 36 33,439 31,186 11,277 1.00 0.27 1SG 287 ATOMO 287 N THR 37 32,290 30,954 9,360 1.00 0.48 1SG 288 ATOMO 288 C? THR 37 31,752 32,266 9,550 1.00 0.48 1SG 289 ÁTOMO 289 CB THR 37 32,132 33,216 8,462 1.00 0.48 1SG 290 ATOMO 290 OG1 THR 37 31,579 34,490 8,737 1.00 0.48 1SG 291 ÁTOMO 291 CG2 THR 37 31,591 32,685 7,124 1.00 0.48 1SG 292 ÁTOMO 292 C THR 37 30,265 32,253 9,596 1.00 0.48 1SG 293 ATOMO 293 OR THR 37 29.607 31.337 9.105 1.00 0.48 1SG 294 ÁTOMO 294 H LYS 38 29,708 33,307 10,225 1.00 0.41 1SG 295 ATOM 295 C? LYS 38 28,291 33,482 10,294 1.00 0.41 1SG 296 ATCMO 296 CB LYS 38 27,770 33,754 11,715 1.00 0.41 1SG 297 ÁTOMO 297 CG LYS 38 28,245 32,739 12,757 1.00 0.41 1SG 298 ATOM 298 CD LYS 38 29,734 32,877 13,087 1.00 0.41 1SG 299 ÁTOMO 299 CE LYS 38 30,193 32,030 14,276 1.00 0.41 1SG 300 ATOMO 300 HZ LYS 38 31,621 32,301 14,565 1.00 0.41 1SG 301 ATCMO 301 C LYS 38 28,013 34,720 9,506 1.00 0.41 1SG 302 ATOMO 302 OR LYS 38 28,709 35,726 9,652 1.00 0.41 1SG 303 ATOMO 303 H TRP 39 26,998 34,677 8,624 1.00 0.18 1SG 304 ATOMO 304 C? TRP 39 26,680 35,852 7,870 1.00 0.18 1SG 305 ATOM 305 CB TRP 39 26,599 35,645 6,344 1.00 0.18 1SG 306 ATOM 306 CG TRP 39 27,940 35,495 5,663 1.00 0.18 1SG 307 ATCMO 307 CD2 TRP 39 28.804 36.606 5.377 1.00 0.18 1SG 308 ATOM 308 CDL TRP 39 28,585 34,378 5,220 1.00 0.18 1SG 309 ATCMO 309 NEI TRP 39 29,800 34,725 4,672 1.00 0.18 1SG 310 ÁTOMO 310 CE2 TRP 39 29,947 36,094 4,764 1.00 0.18 1SG 311 ATCMO 311 CE3 TRP 39 28,656 37,943 5,611 1.00 0.18 1SG 312 ATOM 312 CZ2 TRP 39 30,964 36,918 4,374 1.00 0.18 1SG 313 ATOMO 313 CZ3 TRP 39 29,681 38,772 5,214 1.00 0.18 1SG 314 ATOMO 314 CH2 TRP 39 30,813 38,269 4,607 1.00 0.18 1SG 315 ATOMO 315 C TRP 39 25,345 36,329 8,319 1.00 0.18 1SG 316 TCMO 316 OR TRP 39 24,473 35,536 8,668 1.00 0.18 1SG 317 ATCMO 317 H PHB 40 25,166 37,662 8,355 1.00 0.08 1SG 318 TCMO 318 C? PHB 40 23,898 38,177 8,759 1.00 0.08 1SG 319 ? TOMO 319 CB PHB 40 23,942 38,924 10,102 1.00 0.08 1SG 320 ATOMO 320 CG PHB 40 24,268 37,911 11,142 1.00 0.08 1SG 321 ATCMO 321 CDl PHE 40 25,575 37,560 11,393 1.00 0.08 1SG 322 ATCMO 322 CD2 PHB 40 23,262 37,311 11,865 1.00 0.08 1SG 323 ATCMO 323 CEI PHE 40 25,872 36,623 12,352 1.00 0.08 1SG 324 ATOM 324 CE2 PHE 40 23,555 36,372 12,826 1.00 0.08 1SG 325 ATCMO 325 Z PHE 40 24,863 36,028 13,071 1.00 0.08 1SG 326 ÁTOMO 326 C PHB 40 23,449 39,146 7,721 1.00 0.08 1SG 327 ÁTOMO 327 or PHB 40 24,243 39,920 7,189 1.00 0.08 1SG 328 ÁTOMO 328 H HXS 41 22,150 39,090 7,382 1.00 0.10 1SG 329 ATOM 329 C? HXS 41 21,589 40,033 6,468 1.00 0.10 1SG 330 ? TCMO 330 ND1 HTS 41 19.882 40.132 3.044 1.00 0.10 1SG 331 ÁTOMO 331 CG HXS 41 20,491 40,427 4,242 1.00 0.10 1SG 332 ATCMO 332 -CB HXS 41 20,942 39,397 5,232 1.00 0.10 1SG 333 ÁTOMO 333 NE2 HXS 41 20,036 42,349 3,153 1.00 0.10 1SG 334 ATCMO 334 CD2 HXS 41 20,577 41,784 4,294 1.00 0.10 1SG 335 ATCMO 335 CEI BIS 41 19,631 41,317 2,434 1.00 0.10 1SG 336 ATCMO 336 C BIS 41 20,508 40,722 7,226 1.00 0.10 1SG 337 ÁTOMO 337 O HIS 41 19,557 40,090 7,682 1.00 0.10 1SG 338 ATCMO 338 N ASN 42 20,632 42,049 7,386 1.00 0.11 1SG 339 ATCMO 339 C? ASN 42 19,651 42,772 8,132 1.00 0.11 1SG 340 ATOM 340 CB ASN 42 18,252 42,764 7,489 1.00 0.11 1SG 341 ÁTOMO 341 CG? SH 42 18,291 43,691 6,283 1.00 0.11 1SG 342 ATOMUM 342 OD1? SH 42 19,275 44,395 6,062 1.00 0.11 1SG 343 ATCMO 343 ND2? SH 42 17,185 43,710 5,492 1.00 0.11 1SG 344 ATCMO 344 C? SH 42 19-, 566 42,155 9,490 1.00 0.11 1SG 345 ATOMO 345 O? SH 42 18,525 42,200 10,144 1.00 0.11 1SG 346 ? TQM0 346 N GLY 43 20,683 41,567 9,955 1.00 0.08 1SG 347 ATCMO 347 C? GLY 43 20,714 41,014 11,277 1.00 0.08 1SG 348 ÁTOMO 348 c GLY 43 20,172 39,620 11,264 1.00 0.08 1SG 349 ATOMO 349 or GLY 43 20,036 39,001 12,318 1.00 0.08 1SG 350 ATOMO 350 N SER 44 19,844 39,074 10,079 1.00 0.15 1SG 351 ATCMO 351? SER 44 19,330 37,735 10,068 1.00 0.15 1SG 352 ÁTOMO 352 CB SER 44 18,218 37,498 9,034 1.00 0.15 1SG 3S3 ÁTOMO 353 OG SER 44 18,737 37,641 7,720 1.00 0.15 1SG 354 ÁTOMO 354 C SER 44 20,464 36,832 9.717 1.00 0.15 1SG 355 ÁTOMO 355 OR SBR 44 21,203 37,085 8,769 1.00 0.15 1SG 356 ATOMO 3S6 N LEU 45 20,638 35,747 10,491 1.00 0.35 1SG 357? VOLUME 357 C? LEU 45 21,720 34,343 10,241 1.00 0.35 1SG 358 ATCMO 358 CB LEU 45 21,939 33,852 11,413 1.00 0.35 1SG 359 ATOMO 359 CG LEU 45 23,091 32,823 11,298 1.00 0.35 1SG 360 ATOMO 360 CD2 LEU 45 22,938 31,865 10,100 1.00 0.35 1SG 361 ATOMO 361 CDl LEU 45 23,226 32,022 12,602 12,602 1.00 0.35 1SG 362? VOLUME 362 C LEU 45 21,398 34,097 8,988 1.00 0.35 1SG 363? TCMO 363 OR LEO 45 20,249 33,736 8,740 1.00, 35 1SG 364 ATOMUM 364 N SER 46 22,430 33,863 8,153 1.00, 48 1SG 363 ATOMUM 365 C ? SER 46 22,263 33,118 6,938 1.00, 48 1SG 366 ATOMO 366 CB SBR 46 22.9S7 33,730 5,707 1.00, 48 1SG 367 ATOMO 367 OG SER 46 22,355 34,958 5,334 1.00 .48 1SG 368? VOLUME 368 C SER 46 22,960 31,813 7,135 1.00 .48 1SG 369 ATOMO 369 OR SER 46 24,137 31,770 7,487 1.00, 48 1SG 370 ATOMO 370 N GLO 47 22,221 30,711 6,936 00 0.44 1SG 371 ATOMO 371 C? GLO 47 22.724 29.371 7.017 00 0.44 1SG 372 ATOMO 372 CB GLO 47 21.604 28.321 7.026 00 0.44 1SG 373 ATOMO 373 CG GLU 47 20,768 28,350 5.74S 00 0.44 1SG 374? TOMO 374 CD GLO 47 19,700 27,272 5,839 00 0.44 1SG 375 ATOMO 375 OEl GLO 47 19,539 26,690 6,945 00 0.44 1SG 376 ÁTOMO 376 OE2 GLU 47 19,030 27,016 4,803 00 0.44 1SG 377 ÁTOMO 377 C GLU 47 23,552 29,092 5,800 00 0.44 1SG 378 ATCMO 378 O GLO 47 24,413 28,215 5,800 00 0.44 1SG 379 ÁTOMO 379 N GLO 48 23,288 29,858 4,730 1.00 0.45 1SG 380? TOMO 380 C? GLU 48 23,741 29,635 3,387 1.00 45 1SG 381? VOLUME 381 CB GLU 48 23,284 30,775 2,465 1.00 45 1SG 382? VOLUME 382 CG GLU 48 23,798 32,140 2,929 1.00 45 1SG 383 ATOMO 383 CD GLO 48 23,187 33,215 2,041 1.00 45 1SG 384? VOL. 384 OThe GLU 48 22,440 32.852 1,094 1.00 0.45 1SG 385 ATOMO 385 OE2 GLU 48 23,459 34,417 2,302 1.00 0.45 1SG 386? VOLUME 386 C GLO 48 25,226 29,496 3.19S 1.00 0.4S 1SG 387 ATOMO 387 OR GLO 48 25,647 28,553 2,528 1.00 0.45 1SG 388? TCMO 388 N THR 49 26,087 30,365 3,758 1.00 0.55 1SG 389? TOMO 389 CA THR 49 27,427 30,251 3,247 1.00 0.55 1SG 390? TOMO 390 CB THR 49 27,684 31,331 2,235 1.00 0.5S 1SG 391? TCMO 391 OG1 THR 49 28,936 31,166 1,589 1.00 0.55 1SG 392? TCMO 392 CG2 THR 49 27,629 32,679 2,968 1,00, 55 1SG 393 ATOM 393 C THR 49 28,482 30,361 4,310 1,00, 55 1SG 394 ATOM 394 OR THR 49 28,213 30,658 5,473 1,00 55 1SG 395 ATOMO 395 N ASN 50 29,736 30,090 3,881 1.00 .44 1SG 396? TCMO 396 C? ? SN 50 30,937 30.109 4.66S 1.00, 44 1SG 397 ATOMO 397 CB? SN 50 31,925 28,990 4,291 1.00, 44 1SG 398? TCMO 398 CG ASH 50 31,335 27,665 4,747 1.00 44 1SG 399 ATOMO 399 OD1? SH 50 31,044 27,481 5,927 1.00 0.44 1SG 400 ATOMO 400 ND2 ASH 50 31,153 26,715 3,790 00 0.44 13G 401 ATOMO 401 C ASN 50 31,648 31,407,437 00 0.44 1SG 402 ATOM 402 402 OR ASN 50 31,038 32,472 4,355 00 0.44 1SG 403? VOLUME 403 H SER 51 32,990 31,325 4,329 00 0.25 1SG 404 ATCMO 404 C? SER 51 33,843 32,473 4,237 00 0.25 1SG 405 ATOMO 405 CB SER 51 35,323 32,099 4,049 1.00 0.25 1SG 406 ATCMO 406 OG SER 51 35.S06 31,465 2,792 1.00 0.25 1SG 407 ATOMO 407 C SBR 51 33,455 33,328 3,073 1.00 0.25 1SG 408 ATOMO 408 OR SER 51 33,338 34,545 3,215 1.00 0.25 1SG 409 ATOMO 409 N SER 52 33.234 32.733 1.887 1.00 0.14 1SG 410 ATOMO 410 C? SER 52 32.906 33.575 0.772 1.00 0.14 1SG 411 ATOMO 411 CB SER 52 33.750 33.288 -0.481 1.00 0.14 1SG 412 ATOMO 412 OG SER 52 35,116 33,578 -0.227 1.00 0.14 1SG 413 ATOM 413 C SER 52 31,480 33,343 0.406 1.00 0.14 1SG 414 ATOM 414 OR SBR 52 31,035 32,204 0.274 1.00 0.14 1SG 415 ATCMO 415 H LEO 53 30,709 34,437 0.251 1.00 0.09 1SG 416 ATOM 416 C? LEO 53 29,346 34,271 -0,150 1.00 0.09 1SG 417? TOMO 417 CB LEO 53 28,319 34,889 0.816 1.00 0.09 1SG 418 ATOM 418 CG LEU 53 26,856 34,696 0.368 1.00 0.09 1SG 419 ATOMO 419 CD2 LEO 53 25,893 35,495 1,259 1.00 0.09 1SG 420 ATOMO 420 CDl IiBO 53 26,482 33,208 0.298 1.00 0.09 1SG 421 ÁTOMO 421 C LEO 53 29,195 34,941 -1,473 1.00 0.09 1SG 422 ÁTOMO 422 O LEO 53 29,476 36,130 -1,619 1.00 0.09 1SG 423 ÁTOMO 423 H? SH 54 28,760 34,174 -2,488 1.00 0.09 1SG 424 TCMO 424 C? ASH 54 28,584 34,749 -3,786 1.00 0.09 1SG 425 ATOM 425 CB ASH 54 29,349 34,011 -4,897 1.00 0.09 1SG 426 ATOMO 426 CG ASH 54 29,234 34,837 -6,169 1.00 0.09 1SG 427 ÁTOMO 427 OD1 ASN 54 28,770 35.97S -6,145 1.00 0.09 1SG 428 ÁTOMO 428 ND2 ASH 54 29,658 34,244 -7,317 1.00 0.09 1SG 429 ÁTOMO 429 C ASH 54 27,137 34,629 -4.llß 1.00 0.09 1SG 430 ÁTOMO 430 O? SH 54 26,544 33,562 -3,972 1.00 0.09 1SG 431 ÁTOMO 431 N XLE 55 26,522 35,736 -4,566 1.00 0.08 1SG 432 TCMO 432 C? XLE 55 25,141 35,665 -4,922 1.00 0.08 1SG 433? TOMO 433 CB XLE 55 24,258 36,575 -4,120 1.00 0.08 1SG 434 ÁTOMO 434 CG2 XLE 55 24,346 36,152 -2,644 1.00 0.08 1SG 435 ÁTOMO 435 CGl XLE 55 24,636 38,044 -4,369 1.00 0.08 1SG 436 ? TOMO 436 CDl XLE 55 23,600 39,030 -3,832 1.00 0.08 1SG 437 ÁTOMO 437 C XLE 55 25,039 36,115 -6,337 1.00 0.08 1SG 438 ATOMO 438 OR XLE 55 25.773 36.998 -6.779 1.00 0.08 1SG 439 ATOMO 439 N VAL 56 24,119 35,493 -7,090 1.00 0.10 1SG 440 ATOM 440 C? VAL 56 23,922 35,858 -8,456 1.00 0.10 1SG 441 ÁTOMO 441 CB VAL 56 23.9B5 34,683 -9,389 1.00 0.10 1SG 442 ATOMO 442 CGl VAL 56 23,615 35,140 -10,810 1.00 0.10 1SG 443 ATOM 443 CG2 VAL 56 25,383 34,050 -9,280 1.00 0.10 1SG 444 ? TCMO 444 C VAL 56 22,544 36,412 -8,532 1.00 0.10 1SG 445 ÁTOMO 445 O VAL 56 21,686 36,071 -7,719 1.00 0.10 1SG 446 ? TOMO 446 H ASH 57 22,312 37,292 -9,523 1.00 0.11 1SG 447 TOMO 447 C? ASH 57 21,035 37,906 -9,706 1.00 0.11 1SG 448 TCMO 448 CB ASH 57 19,953 36,958 -10,250 1.00 0.11 1SG 449 TCMO 449 CG ASN 57 18.801 37.822 -10.747 1.00 0.11 1SG 450 ATOMO 450 OD1? SN 57 18.420 38.801 -10.107 1.00 0.11 1SG 451 TOMO 451 ND2 ASH 57 18,239 37,461 -11,932 1.00 0.11 1SG 452 ÁTOMO 452 C ASH 57 20,576 38,473 -8,404 1.00 0.11 1SG 453 ATOMO 453 O? SH 57 19,548 38,066 -7,865 1.00 0.11 1SG 454 ÁTOMO 454 H ALA 58 21,353 39,425 -7,850 1.00 0.21 1SG 455 ATCMO 455 C? ALA 58 20,945 40,022 -6,615 1.00 0.21 1SG 456 TCMO 456 CB WING 58 21,884 41,136 -6,118 1.00 0.21 1SG 457 TOMO 457 C ALA 58 19,608 40,631 -6,871 1.00 0.21 1SG 458 ? TOMO 4S8 OR WING 58 19,393 41,275 -7,897 1.00 0.21 1SG 459 ? TOMO 459 H LYS 59 18,660 40,414 -5,941 1.00 0.31 1SG 460 TOMO 460 C? LYS 59 17,329 40,910 -6,123 1.00 0.31 1SG 461 ÁTOMO 461 CB LYS 59 16,237 39,929 -5,664 1.00 0.31 1SG 462 ATCMO 462 CG LYS 59 16,172 38,657 -6,511 1.00 0.31 1SG 463 ATOM 463 CD LYS 59 15,844 38,913 -7,985 1.00 0.31 1SG 464 ? TOMO 464 CE LYS 59 15,812 37,638 -8,834 1.00 0.31 1SG 465 ÁTOMO 465 HZ LYS 59 15,485 37,972 -10,239 1.00 0.31 1SG 466 ATOMO 466 C LYS 59 17,157 42,162 -5,331 1.00 0.31 1SG 467 ATCMO 467 O LYS 59 18,068 42,622 -4,645 1.00 0.31 1SG 468 ÁTOMO 468 H PHE 60 15,948 42,746 -5,431 1.00 0.23 1SG 469 ATOM 469 C? PHE 60 15,595 43,928 -4,704 1.00 0.23 1SG 470 ATOM 470 CB PHB 60 14,165 44,410 -4,999 1.00 0.23 1SG 471 TCMO 471 CG PHE 60 13.854 45.482 -4.011 1.00 0.23 1SG 472 ATOMO 472 CDl PHB 60 14,289 46,773 -4,202 1.00 0.23 1SG 473 ATOM 473 CD2 PHE 60 13,119 45,189 -2,885 1.00 0.23 1SG 474 ATOMO 474 CB1 PHE 60 13,998 47,753 -3,282 1.00 0.23 1SG 475 ATOM 475 CE2 FBE 60 12,825 46,165 -1,962 1.00 0.23 1SG 476 ÁTOMO 476 CZ FHE 60 13,264 47,451 -2,161 1.00 0.23 1SG 477 ÁTOMO 477 C PHE 60 15,656 43,581 -3,255 1.00 0.23 1SG 478 ATCMO 478 OR PHE 60 16,056 44,387 -2,417 1.00 0.23 1SG 479 ÁTOMO 479 H GLO 61 15,265 42,337 -2,942 1.00 0.15 1SG 480 ATOMO 480 C? GLU 61 15,215 41,816 -1.609 1.00 0.15 1SG 481 ÁTOMO 481 CB GLO 61 14,699 40,370 -1.604 1.00 0.15 1SG 482 ATCMO 482 CG GLO 61 15,521 39,448 -2,507 1.00 0.15 1SG 483 ATOM 483 CD GLU 61 14,713 38,185 -2,765 1.00 0.15 1SG 484 ÁTOMO 484 OEl GLO 61 14,026 37,714 -1,820 1.00 0.15 1SG 485 ÁTOMO 485 OE2 GLO 61 14,761 37,681 -3,919 1.00 0.15 1SG 486 ÁTOMO 486 C GLO 61 16..S95 41,837 -1,028 1.00 0.15 1SG 487 ATCMO 487 O GLU 61 16,769 42,050 0.170 1.00 0.15 1SG 488 ATOMO 488 H ASP 62 17,618 41,636 -1,877 1.00 0.16 1SG 489 ATOMO 489 CA ASP 62 18,983 41,538 -1,440 1.00 0.16 1SG 490 ATOMO 490 CB? SP 62 19,962 41,211 -2,582 1.00 0.16 1SG 491 ATOMO 491 CG ASP 62 19,751 39,749 -2,954 1.00 0.16 1SG 492 ATOM 492 OD1 ASP 62 18,944 39,075 -2,259 1.00 0.16 1SG 493 ATOM 493 OD2? SP 62 20,401 39,282 -3,927 1.00 0.16 1SG 494 ATOMO 494 C? SP 62 19,437 42,801 -0,773 1.00 0.16 1SG 495 ATOMO 495 O? SP 62 20,299 42,749 0.100 1.00 0.16 1SG 496 ATCMO 496 N SER 63 18.904 43.974 -1.168 1.00 0.20 1SG 497 ATOMO 497 C? SER 63 19,352 45,201 -0,565 1.00 0.20 1SG 498 ATOM 498 CB SER 63 18,578 46,439 -1,050 1.00 0.20 1SG 499 ÁTOMO 499 OG SER 63 17.217 46.346 -0.6S5 1.00 0.20 1SG 500 ATCMO 500 C SER 63 19,192 45,109 0.923 1.00 0.20 1SG 501 ATOM 501 OR SER 63 18,201 44,586 1,430 1.00 0.20 1SG 502 ATOMO 502 N GLY 64 20,203 45,609 1,665 1.00 0.22 1SG 503 ATOM 503 C? GLY 64 20,164 45,561 3,098 1.00 0.22 1SG 504 ? TCMO 504 c GLY 64 21,570 45,701 3,585 1.00 0.22 1SG 505 ATCMO 505 or GLY 64 22,472 46,032 2,817 1.00 0.22 1SG 506 ÁTOMO 506 N GLO 65 21,792 45,447 4,892 1.00 0.19 1SG 507 ATOMO 507 C? GLU 65 23,115 45,557 5,436 1.00 0.19 1SG 50B ATOMO 508 CB GLU 65 23,191 46,214 6,825 1.00 0.19 1SG 509 ATOM 509 CG GLU 65 22,869 47,707 6,845 1.00 0.19 1SG 510 ATOMO 510 CD GLO 65 23,123 48,205 8,262 1.00 0.19 1SG Sil ATCMO 511 O GLU 65 22,725 47,496 9,225 1.00 0.19 1SG 512 ATOMO 512 OE2 GLO 65 23,734 49,299 8,401 1.00 0.19 1SG 513 ATOM 513 C GLO 65 23,647 44,176 5,620 1.00 0.19 1SG 514 ATOMO 514 O GLU 65 22,902 43,245 5,925 1.00 0.19 1SG 515 ATCMO 515 N TYR 66 24,970 44,009 5,422 1.00 0.22 1SG 516 ATCMO 516 C? TYR 66 25,570 42,720 5,594 1.00 0.22 1SG 517 ATOM 517 CB TYR 66 26,312 42,202 4,348 1.00 0.22 1SG 518 ATOM 518 CG TYR 66 25.308 41.992 3.266 1.00 0.22 1SG 519 ATOM 519 CDl TYR 66 24,943 43,031 2,440 1.00 0.22 1SG 520 ATOM 520 CD2 TYR 66 24,726 40,759 3,079 1.00 0.22 1SG 521 ATOM 521 CEI TYR 66 24,019 42,842 1,440 1.00 0.22 1SG 522 ATOMO 522 CB2 TYR 66 23,800 40,563 2,081 1.00 0.22 1SG 523 ATOM 523 CZ TYR 66 23,446 41,606 1,260 1.00 0.22 1SG 524 ATOM 524 OH TYR 66 22,497 41,407 0.236 1.00 0.22 1SG 525 ATOM 525 C TYR 66 26,580 42.82B 6,692 1.00 0.22 1SG 526 ATOM 526 OR TYR 66 27,258 43,845 6,835 1.00 0.22 1SG 527 ATOM 527 N LYS 67 26,683 41 768 7,516 1.00 0.45 1SG 528 ATOM 528 C? LYS 67 27,618 41,753 8,602 1.00 0.45 1SG 529 ATOM 529 CB LYS 67 26,953 42,023 9,958 1.00 0.45 1SG 530 ATOM 530 CG LYS 67 26,340 43,420 10,055 1.00 0.45 1SG 531 ATOMO 531 CD LYS 67 25,324 43,562 11,188 1.00 0.45 1SG 532 ATOM 532 CE LYS 67 23,974 42,913 10,871 1.00 0.45 1SG 533 ATOM 533 NZ LYS 67 23,325 43,628 9,750 1.00 0.45 1SG 534 TCMO 534 C LYS 67 28,183 40,371 8,662 1.00 0.45 1SG 535 ATCMO 535 OR LYS 67 27,569 39,421 8,180 1.00 0.45 1SG 536 ATOMUM 536 N CYS 68 29,390 40.22B 9.244 1.00 0.52 1SG 537 ATCMO 537 C? CYS 68 30,003 38,935 9,333 1.00 0.52 1SG 538 ATOMO 538 CB CYS 68 31,059 38,703 8.250 1.00 0.52 1SG 539 ATOMO 539 SG CYS 68 32,113 37,291 8,666 1.00 0.52 1SG 540 ATOMO 540 C CYS 68 30,754 38,840 10,621 1.00 0.52 1SG 541 ATOMY 541 OR CYS 68 31,295 39,830 11,110 1.00 0.52 1SG 542 ÁTOMO 542 N GLN 69 30,796 37,631 11,218 1.00 0.27 1SG 543 ATOMO 543 C? GLN 69 31,610 37,462 12,382 1.00 0.27 1SG 544 ATCMO 544 CB GLN 69 30,855 37,549 13,718 1.00 0.27 1SG 545 ATOMO 545 CG GLN 69 29,833 36,434 13,929 1.00 0.27 1SG 546 ÁTOMO 546 CD GLN 69 29,290 36.S75 15,342 1.00 0.27 1SG 547 ATOMO 547 OBI GLN 69 29,847 37,306 16,160 1.00 0.27 1SG S4B ÁTOMO 548 NE2 GLN 69 28,177 35,853 15,642 1.00 0.27 1SG 549 ATCMO 549 C GLN 69 32,221 36,103 12,322 1.00 0.27 1SG 550 ATCMO 550 O GLN 69 31,741 35,214 11,620 1.00 0.27 1SG 551 ATOMO 551 N HXS 70 33,333 35,928 13,056 1.00 0.11 1SG 552 ATOMO 552 C? HXS 70 33,988 34,660 13,145 1.00 0.11 1SG 553 ÁTOMO 553 ND1 HXS 70 35,166 33,594 10,252 1.00 0.11 1SG 554 ATOMO 554 CG HXS 70 35,399 34,688 11,056 1.00 0.11 1SG 555 ATOMO 555 CB HXS 70 35,405 34,631 12,551 1.00 0.11 1SG 556 ATOMO 556 NB2 BIS 70 35,486 35,325 8,894 1.00 0.11 1SG 557 ATOM 5S7 CD2 HXS 70 35,593 35,736 10,211 1.00 0.11 1SG 558 ATOMO 558 CEI HIS 70 35,229 34,031 8,970 1.00 0.11 1SG SS ÁTOMO 559 C BIS 70 34,110 34,372 14,599 1.00 0.11 1SG 560 ATOMO 560 OR HXS 70 33,793 35,212 15,438 1.00 0.11 1SG 561 ATOMO 561 N GLN 71 34,541 33,146 14.938 1.00 0.12 1SG 562 ATOM 562 C? GLN 71 34,685 32,822 16,322 1.00 0.12 1SG 563 ATOMO 563 CB GLN 71 35,169 31,379 16,553 1.00 0.12 1SG 564 ATOMO 564 CG GLN 71 34,160 30.29B 16,156 1.00 0.12 1SG 565? VOLUME 565 CD GLN 71 33,100 30,213 17,226 1.00 0.12 1SG 566 ÁTOMO 566 OEl GLN 71 33,038 31,052 18,143 1.00 0.12 1SG 567 ÁTOMO 567 NB2 GLN 71 32,237 29,166 17,171 1.00 0.12 1SG 568 ÁTOMO 568 C GLN 71 35,731 33,730 16,880 1.00 0.12 1SG 569 ÁTOMO 569 OR GLN 71 35.S80 34,277 17,970 1.00 0.12 1SG 570 ATCMO 570 N GLN 72 36,827 33,913 16.123 1.00 0.21 1SG 571 ATOM 571 C? GLN 72 37,952 34,675 16,575 1.00 0.21 1SG 572 ATOMO 572 CB GLN 72 39,129 34,611 15,587 1.00 0.21 1SG 573 ÁTOMO 573 CG GLN 72 39,531 33,182 15,217 1.00 0.21 1SG 574 ÁTOMO 574 CD GLN 72 39.805 32.408 16.498 1.00 0.21 1SG 575 ÁTOMO 575 OBI GLN • 72 40,001 32,986 17,566 1.00 0.21 XSG 576 ATOMO 576 NB2 GLN 72 39,809 31,053 16,390 1.00 0.21 1SG 577 ÁTOMO 577 C GLN 72 37,612 36,126 16,723 1.00 0.21 1SG 578 ? TOMO 578 O GLN 72 37,927 36,739 17,741 1.00 0.21 1SG 579 ATCMO 579 N VAL 73 36,943 36,714 15,712 1.00 0.31 1SG 580 ATOM 580 C? VAL 73 36,757 38,137 15,714 1.00 0.31 1SG 581 ATOM 581 CB VAL 73 36,891 38,749 14,349 1.00 0.31 1SG 582 ÁTOMO 582 CGl VAL 73 38,329 38,520 13,952 1.00 0.31 1SG 583 ÁTOMO 583 CG2 VAL 73 3S.809 38,152 13,433 1.00 0.31 1SG 584 ATCMO 584 C VAL 73 35,419 38,532 16,245 1.00 0.31 1SG 585 ATCMO 585 O VAL 73 34,556 37,707 16,541 1.00 0.31 1SG 586 ÁTOMO 586 N ASN 74 35,258 39,864 16,381 1.00 0.41 1SG 587 ATOM 587 C? ASH 74 34,078 40.53S 16,838 1.00 0.41 1SG 588 ATOMO 588 CB ASN 74 34,389 41,966 17,323 1.00 0.41 1SG 589 TCMO 589 CG ASN 74 33,215 42,515 18,119 1.00 0.41 1SG 590 ATOM 590 OD1 ASH 74 32,226 41,823 18,353 1.00 0.41 1SG 591 ATCMO 591 ND2? SH 74 33,322 43,804 18,540 1.00 0.41 1SG 592 ATCMO 592 C ASH 74 33,177 40,636 15,647 1.00 0.41 1SG 593 ÁTOMO 593 OR ASH 74 33,389 39,959 14,644 1.00 0.41 1SG 594 ÁTOMO 594 N GLU 75 32,113 41,457 15,746 1.00 0.48 1SG 595 ATOM 595 C? GLU 75 31,220 41,642 14,641 1.00 0.48 1SG 596 ÁTOMO 596 CB GLO 75 29,879 42,271 15,056 1.00 0.48 1SG 597 ATOMO 597 CG GLO 75 29,072 41,393 16,014 1.00 0.48 1SG 598 ATOMO 598 CD GLO 75 28.504 40.229 15.218 1.00 0.48 1SG 599 ATOM 599 OBI GLU 75 28,423 40,354 13,967 1.00 0.48 1SG 600 ATCMO 600 OB2 GLU 75 28,141 39,200 15,848 1.00 0.48 1SG 601 ATOM 601 C GLO 75 31,884 42,588 13,693 1.00 0.48 1SG 602 ATCMO 602 O GLO 75 32,611 43,491 14.107 1.00 0.48 1SG 603 ATCMO 603 N SER 76 31,657 42,386 12,381 1.00 0.42 1SG 604 ATOM 604 C? SER 76 32,239 43,230 11,379 1.00 0.42 1SG 605 ATOM 605 CB SER 76 32,350 42,539 10,010 1.00 0.42 1SG 606 ATOM 606 OG SER 76 32,918 43,427 9,061 1.00 0.42 1SG 607 ATOM 607 C SER 76 31,346 44,416 11,208 1.00 0.42 1SG 608 ATCMO 608 OR SER 76 30,182 44,388 11,604 1.00 0.42 1SG 609 ÁTOMO 609 H GLO 77 31.884 45.509 10.627 1.00 0.31 1SG 610 ATOM 610 C? GLU 77 31,059 46.6S7 10,396 1.00 0.31 1SG 611 ÁTOMO 611 CB GLU 77 31,813 47,908 9,915 1.00 0.31 1SG 612 ATCMO 612 CG GLU 77 32.856 48.431 10.898 1.00 0.31 1SG 613 ATOM 613 CD GLO 77 34,144 47,681 10,608 1.00 0.31 1SG 614 ÁTOMO 614 OBI GLO 77 34,416 47,430 9,403 1.00 0.31 1SG 615 ATOM 615 OE2 GLO 77 34,871 47,348 11,581 1.00 0.31 1SG 616 ATOMO 616 C GLO 77 30,149 46,280 9.278 1.00 0.31 1SG 617 ATOM 617 OR GLO 77 30,493 45,470 8,419 1.00 0.31 1SG 618 ATOM 618 H PRO 78 28,978 46,839 9,296 1.00 0.29 1SG 619 ATOMO 619 C? PRO 78 28,046 46,505 8,257 1.00 0.29 1SG 620 ATOMO 620 CD PRO 78 28.309 47.037 10.573 1.00 0.29 1SG 621 ATOM 621 CB PRO 78 26,663 46,846 8,806 1.00 0.29 1SG 622 ATCMO 622 CG PRO 78 26,830 46,701 10,328 1.00 0.29 1SG 623 ATCMO 623 C PRO 78 28,349 47,178 6,959 1.00 0.29 1SG 624 ATOM 624 OR PRO 78 28,956 48,248 6,958 1.00 0.29 1SG 625 ATOMO 625 N VAL 79 27,945 46,539 5,845 1.00 0.31 1SG 626 ATOMO 626 C? VAL 79 28,075 47,100 4,536 1.00 0.31 1SG 627 ATCMO 627 CB VAL 79 28,861 46,242 3,590 1.00 0.31 1SG 628 TCMO 628 CGl VAL 79 28, .171 44,872 3,480 1.00 0.31 1SG 629 ATOM 629 CG2 VAL 79 28,983 46,983 2,247 1.00 0.31 1 6 630 ÁTOMO 630 C VAL 79 26,678 47,181 4,020 1.00 0.31 1SG 631 ATOMO 631 O VAL 79 25,899 46,245 4,193 1.00 0.31 1SG 632 ATOM 632 N TYR 80 26,305 48,306 3,381 1.00 0.19 1SG 633 ATOM 633 C? TYR 80 24,946 48,385 2,937 1.00 0.19 1SG 634 ATOM 634 CB TYR 80 24,256 49,729 3.23S 1.00 0.19 1SG 635 ATOM 635 CG TYR 80 22,813 49,553 2,905 1.00 0.19 1SG 636 ATOM 636 CDl TYR 80 22,346 49,756 1,626 1.00 0.19 1SG 637 ATOM 637 CD2 TYR 80 21,926 49,172 3,886 1.00 0.19 1SG 638 ATOM 638 CEI TYR 80 21,013 49,586 1,333 1.00 0.19 1SG 639 ATOMO 639 CB2 TYR 80 20,593 49,000 3,600 1.00 0.19 1SG 640 ATOM 640 CZ TYR 80 20,135 49,209 2,322 1.00 0.19 1SG 641 ATOM 641 OH TYR 80 18,767 49,033 2,023 1.00 0.19 1SG 642 ATOM 642 C TYR 80 24,940 48,188 1,459 1.00 0.19 1SG 643 ATOM 643 OR TYR 80 25,745 48,771 0.734 1.00 0.19 1SG 644 ATOMO 644 N LEO 81 24,021 47,332 0.979 1.00 0.08 1SG 645 ATOM 645 C? LEO 81 23,950 47,054 -0,424 1.00 0.08 1SG 646 ATCMO 646 CB LEO 81 24,024 4S.551 -0.740 1.00 0.08 1SG 647 ATCMO 647 CG LEO 81 23,950 45,230 -2,243 1.00 0.08 1SG 648 ATOM 648 CD2 LEO 81 23,763 43,724 -2,484 1.00 0.08 1SG 649 ATOM 649 CDl LEO 81 25,157 45,810 -2,996 1.00 0.08 1SG 650? TOMO 650 C LEO 81 22,632 47,548 -0,923 1.00 0.08 1SG 651 ATOMO 651 OR LEO 81 21,611 47,411 -0,251 1.00 0.08 1SG 652 ÁTOMO 652 N GLO 82 22,633 48,166 -2,119 1.00 0.09 1SG 653 ATOM 653 C? GLO 82 21,417 48,652 -2,696 1.00 0.09 1SG 654 ÁTOMO 654 CB GLO 82 21,424 50,176 -2,909 1.00 0.09 1SG 655 ÁTOMO 655 CG GLU 82 21,484 50,982 -1,610 1.00 0.09 1SG 656 ? TOMO 656 CD GLO 82 21,724 52,442 -1,972 1.00 0.09 1SG 657 ? TOMO 657 OEl GLO 82 21,178 52,895 -3,014 1.00 0.09 1SG 658 ATOMO 658 OB2 GLU 82 22,467 53,122 -1,216 1.00 0.09 1SG 659 ATOM 659 c GLU 82 21,317 48,028 -4,048 1.00 0.09 XSG 660 ATOM 660 OR GLO 82 22,273 48,049 -4,822 1.00 0.09 1SG 661 ATOM 661 N VAL 83 20,151 47,442 -4,369 1.00 0.09 1SG 662? VOL 662 CA VAL 83 19,999 46,839 -5,659 1.00 0.09 1SG 663? TCMO 663 CB VAL 83 19.493 45.431 -5.602 1.00 0.09 1SG 664 ATOM 664 CGl VAL 83 20,533 44,566 -4,871 1.00 0.09 1SG 665 ATOM 665 CG2 VAL 83 18,111 45,445 -4,931 1.00 0.09 1SG 666? TCMO 666 C VAL 83 18,974 47,642 -6,383 1.00 0.09 1SG 667 ATOM 667 OR VAL 83 17,973 48,052 -5,797 1.00 0.09 1SG 668 ATOM 668 N PHE 84 19,207 47,907 -7,682 1.00 0.23 1SG 669 ATOM 669 C? PHE 84 18,257 48,698 -8,403 1.00 0.23 1SG 670? TOMO 670 CB PHE 84 18,805 50,055 -8,873 1.00 0.23 1SG 671? VOL 671 CG PHE 84 19,450 50,743 -7,723 1.00 0.23 1SG 672? VOLUME 672 CDl PHE 84 18,715 51,444 -6,799 1.00 0.23 1SG 673? TOMO 673 CD2 PHE 84 20,812 50,670 -7,567 1.00 0.23 1SG 674 ATOM 674 CEI PHB 84 19,328 52,069 -5,740 1.00 0.23 1SG 675 ATOM 675 CE2 PHE 84 21,428 51,294 -6,510 1.00 0.23 1SG 676 ATOM 676 CZ PHE 84 20,689 51,999 - 5.594 1.00 0.23 1SG 677 ATOM 677 C PHE 84 17.966 47.967 -9.668 1.00 0.23 1SG 678 ATOM 678 OR PHE 84 18.750 47.124 -10.101 1.00 0.23 1SG 679 ATOM 679 N SER 85 16.802 48.247 -10.283 1.00 0.34 1SG 680 ATCMO 680 C? SER 85 16.544 47.653 -11.558 1.00 0.34 1SG 681? TCMO 681 CB SER 85 15.248 46.824 -11.611 1.00 34 1SG 682 ATOMO 682 OG SER 85 14.121 47.637 -11.326 1.00, 34 1SG 683 ATOMO 683 C SER 85 16.439 48.779 -12.538 1.00 34 1SG 684 ATCMO 684 OR SER 85 15.403 49.431 -12.656 1.00 34 1SG 685 ATCMO 685 No. SP 86 17.538 49.042 -13.267 1.00 23 1SG 686 ATOM 686 C? ASP 86 17.542 SO.101 -14.232 1.00 0.23 1SG 687 ATTOM 687 CB ASP 86 18.144 51.413 -13.702 1.00 0.23 1SG 688 ATTOM 688 CG? SP 86 17.182 51.997 -12.678 1.00 0.23 1SG 689 ATTENTION 689 OD1 ASP 86 15,949 51,949 12,931 1.00 0.23 1SG 690 ATONO 690 OD2? SP 86 17,667 52,492 11,625 1.00 0.23 1SG 691 ATOMO 691 C? SP 86 18,413 49,652 15,356 1.00 0.23 1SG 692 ATOMO 692 OR ASP 86 19,189 48,709 -15,213 1.00 0.23 1SG 693 ATOMO 693 N TRP 87 18,280 50,297 -16,529 .00 14 1SG 694 ATOMO 694 C? TRP 87 19,116 49,918 -17,626 .00 14 1SG 695 ATOM 695 PL TRP 7 18,696 50,502 -18,982 .00 14 1SG 696 ATOMS 696 CG TRP 87 17,552 49,733 -19,589 .00 14 1SG 697 ATOMO 697 CD2 TRP 87 17,711 48,410 -20,124. 00 14 1SG 698 ATOMO 698 CDl TRP 87 16,234 50,051 19,727 .00 0.14 1SG 699 ATONO 699 NEI TRP 87 15,562 49,008 20,322 .00 0.14 1SG 700 ATOMO 700 CE2 TRP 87 16,460 47,990 20,570 .00 0.14 1SG 701 ATOMO 701 CBS TRP 87 18,813 47,610 20,230 1.00 0.14 1SG 702 ATCMO 702 CZ2 TRP 87 16,289 46,756 21,133 1.00 0.14 1SG 703 ÁTOMO 703 CZ3 TRP 87 18,640 46,369 20,801 1.00 0.14 1SG 704 ÁTOMO 704 CHZ TRP 87 17.402 * >; 5,949 21,244 1.00 0.14 1SG 705 ATOMO 705 C TRP 87 20,535 50,295 17,364 1.00 0.14 1SG 706? TOMO 706 OR TRP 87 21,443 49,504 17,607 1.00 0.14 1SG 707 ATOMO 707 H LEO 88 20,772 51,514 -16,847 1.00 0.12 1SG 708 ATCMO 708 CA LEO 88 22.128 51.938 -16.649 1.00 0.12 1SG 709 ATCMO 709 CB LEO 88 22,571 52,993 -17,679 1.00 0.12 1SG 710 ATOM 710 CG LEU 88 24,024 53,484 -17,521 1.00 0.12 1SG 711 ATOM 711 CD2 LEO 88 24,277 54,759 -18,343 1.00 0.12 1SG 712 ATOM 712 CDl LEO 88 25,038 52,377 -17,830 1.00 0.12 1SG 713 ATOM 713 C LEU 88 22,224 52,584 -15,307 1.00 0.12 1SG 714 ATOM 714 OR LEO 88 21,278 53,228 -14,856 1.00 0.12 1SG 715 ? TOMO 715 H LEO 89 23,374 52,412 -14,622 1.00 0.11 1SG 716 ATOM 716 C? LEU 89 23,535 53,058 -13,352 1.00 0.11 1SG 717 ATOMO 717 CB LEU 89 23,298 52,139 -12,138 1.00 0.11 1SG 718 ATOMO 718 CG LEU 89 23,481 52,831 -10,774 1.00 0.11 1SG 719 ? TOMO 719 CD2 LEO 89 23.511 51.805 -9.629 1.00 0.11 1SG 720 ATOMO 720 CDl LEO 89 22,428 53,934 -10,560 1.00 0.11 1SG 721 ATOMO 721 C LEO 89 24,951 53,524 -13,265 1.00 0.11 1SG 722 ATOM 722 OR LEO 89 25,847 52,949 -13,882 1.00 0.11 1SG 723 ATOM 723 H LEO 90 25,182 54,611 -12,507 1.00 0.11 1SG 724 ATOM 724 C? LEO 90 26,528 55,046 -12,310 1.00 0.11 1SG 725 ATOMO 725 CB LEU 90 26,688 56,576 -12,242 1.00 0.11 1SG 726 ATCMO 726 CG LEU 90 2B.146 57.033 -12.047 1.00 0.11 1SG 727 ATOM 727 CD2 LEU 90 28,228 58,537 -11,741 1.00 0.11 1SG 728 TCMO 728 CDl LEU 90 29,013 56,629 -13,250 1.00 0.11 1SG 729 ATOM 729 C LEU 90 26,875 54,478 -10,975 1.00 0.11 1SG 730 ATOMO 730 OR LEO 90 26,167 54,707 -9,996 1.00 O.ll 1SG 731 ATOMO 731 H GLN 91 27.972 53.704 -10.903 1.00 0.11 1SG 732 ATOMO 732 C? GLN 91 28,255 53,028 -9,674 1.00 0.11 1SG 733 ÁTOMO 733 CB GLN 91 28,619 51,545 -9,880 1.00 0.11 1SG 734 ATCMO 734 CG GLN 91 27,482 50,714 -10,484 1.00 0.11 1SG 735 ATOM 735 CD GLN 91 27,980 49,285 -10,669 1.00 0.11 1SG 736 ÁTOMO 736 OEl GLN 91 29,136 49,064 -11,026 1.00 0.11 1SG 737 ATOMO 737 NE2 GLN 91 27,089 48,288 -10,419 1.00 0.11 1SG 738 ÁTOMO 738 C GLN 91 29,413 53,684 -9,004 1.00 0.11 1SG 739 ATOM 739 OR GLN 91 30,329 54,186 -9,654 1.00 0.11 1SG 740 ÁTOMO 740 H ALA 92 29,370 53,720 -7,658 1.00 0.18 1SG 741 ATOM 741 C? ALA 92 30,446 54,291 -6,909 1.00 0.18 1SG 742 ÁTOMO 742 CB ALA 92 30,134 55,687 -6,346 1.00 0.18 1SG 743 ÁTOMO 743 C ALA 92 30,703 53,398 -5,743 1.00 0.18 1SG 744 ÁTOMO 744 OR ALA 92 29.797 52.745 -5.231 1.00 0.18 1SG 745 ATOMO 745 N SBR 93 31,975 53,316 -5,319 1.00 0.25 1SG 746 ATOMO 746 CA SER 93 32,314 52,505 -4,192 1.00 0.25 1SG 747 ? TOMO 747 CB SER 93 33,830 52,393 -3,991 1.00 0.25 1SG 748 ? TOMO 748 OG SER 93 34,110 51,577 -2,865 1.00 0.25 1SG 749 ATOMO 749 C SER 93 31,729 53,125 -2,961 1.00 0.25 1SG 750 ATOMO 750 OR SBR 93 31,113 52,443 -2,144 1.00 0.25 1SG 751 ATOMO 751 N ALA 94 31,898 54,454 -2,798 1.00 0.19 1SG 752 ATOM 752 C? ALA 94 31,393 55,085 -1,611 1.00 0.19 1SG 753 ATOMO 753 CB ALA 94 32.469 55.303 -0.534 1.00 0.19 1SG 754 ATOMO 754 C ALA 94 30,843 56,428 -1,971 1.00 0.19 1SG 755 ÁTOMO 755 OR ALA 94 31,285 57,069 -2,923 1.00 0.19 1SG 756 ÁTOMO 756 H GLO 95 29,814 56,855 -1,216 1.00 0.12 1SG 757 ATCMO 757 C? GLU 95 29,169 58,121 -1,400 1.00 0.12 1SG 758 ATOMO 758 CB GLU 95 27.888 58.222 -0.553 1.00 0.12 1SG 759 ÁTOMO 759 CG GLU -95 26,823 57,198 -0,963 1.00 0.12 1SG 760 ATOM 760 CD GLU 95 25,743 57,151 0.108 1.00 0.12 1SG 761 ATOM 761 OBI GLU 95 25,714 58,073 0.966 1.00 0.12 1SG 762 TCMO 762 OE2 GLU 95 24,930 56,188 0.080 1.00 0.12 1SG 763 ATOM 763 C GLU 95 30,096 59,221 -0,983 1.00 0.12 1SG 764 TCMO 764 O GLU 95 30,230 60,228 -1,676 1.00 0.12 1SG 765 ATOM 765 N VAL 96 30,780 59,047 0.164 1.00 0.11 1SG 766 ATOMO 766 C? VAL 96 31,626 60,097 0.652 1.00 0.11 1SG 767 ATOMO 767 CB VAL 96 31,355 60,462 2,080 1.00 0.11 1SG 768 ATOM 768 CGl VAL 96 32,367 61,537 2,516 1.00 0.11 1SG 769 TOMO 769 CG2 VAL 96 29.886 60,903 2,191 1.00 0.11 1SG 770 ATOMO 770 C VAL 96 33,039 59,638 0.573 1.00 0.11 1SG 771 ATOM 771 OR VAL 96 33,336 58,455 0.737 1.00 0.11 1SG 772 ÁTOMO 772 N VAL 97 33.954 60.587 0.303 1.00 0.10 1SG 773 ATOMO 773 C? VAL 97 35,339 60,254 0.175 1.00 0.10 1SG 774 ATOMO 774 CB VAL 97 35.826 60.312 -1.243 1.00 0.10 1SG 775 ÁTOMO 775 CGl VAL 97 35,078 59,249 -2,062 1.00 0.10 1SG 776 ATCMO 776 CG2 VAL 97 35,642 61,745 -1.768 1.00 0.10 1SG 777 ATOMO 777 C VAL 97 36,119 61,271 0.931 1.00 0.10 1SG 778 ATOM 778 OR VAL 97 35,603 62,323 1,300 1.00 0.10 1SG 779 ATCMO 779 N MET 98 37,402 60,962 1,185 1.00 0.12 1SG 780 ATCMO 780 C? MET 98 38,263 61,868 1,879 1.00 0.12 1SG 781 ATOM 781 CB MBT 98 39,295 61,145 2,762 1.00 0.12 1SG 782 ATOM 782 CG MET 98 38,651 60,261 3,835 1.00 0.12 1SG 783 ? TOMO 783 SD MET 98 37,735 61,156 5,127 1.00 0.12 1SG 784 ATOMO 784 CE MET 98 39,181 61,447 6,184 1.00 0.12 1SG 785 ATOMO 785 C MET 98 39.008 62.583 0.802 1.00 0.12 1SG 786 ATOM 786 OR MET 98 39,188 62.04B -0.290 1.00 0.12 1SG 787 ÁTOMO 787 H GLO 99 39,440 63,830 1,057 1.00 0.10 1SG 788 ATOMO 788 C? GLO 99 40,130 64,507 0.002 1.00 0.10 1SG 789 ATOM 789 CB GLO 99 40,449 65,986 0.286 1.00 0.10 1SG 790 TCMO 790 CG GLU 99 41,112 66,684 -0,906 1.00 0.10 1SG 791 TCMO 791 CD GLO 99 41.405 68.130 -0.533 1.00 0.10 1SG 792 ? TOMO 792 OEl GLO 99 40,500 68,797 0.034 1.00 0.10 1SG 793 ÁTOMO 793 OE2 GLU 99 42,546 68,586 -0,812 1.00 0.10 1SG 794 ATOMO 794 C GLU 99 41,427 63,806 -0,211 1.00 0.10 1SG 795? TOMO 795 OR GLU 99 42,056 63,330 0.733 1.00 0.10 1SG 796 ÁTOMO 796 H GLY 100 41,846 63,711 -1,486 1.00 0.20 1SG 797 ATOMO 797 C? GLY 100 43,097 63,098 -1.803 1.00 0.20 1SG 798 ATOM 798 c GLY 100 42,858 61,680 -2,198 1.00 0.20 1SG 799 ATOMO 799 or GLY 100 43,718 61,061 -2,822 1.00 0.20 1SG 800 ÁTOMO 800 H GLN 101 41,686 61,111 -1,860 1.00 0.50 1SG 801 ? TCMO 801 C? GLN 101 41,519 59,748 -2,261 1.00 O.SO 1SG 802 ATOM 802 CB GLN 101 40,589 58,891 -1,379 1.00 O.SO 1SG 803 ATCMO 803 CG GLN 101 39,119 59,298 -1,332 1.00 O.SO 1SG 804 ATOM 804 CD GLN 101 38,416 58,229 -0,499 1.00 0.50 1SG 805 ÁTOMO 805 OBI GLN 101 37,204 58,040 -0,574 1.00 0.50 1SG 806 ATOMO 806 NE2 GLN 101 39,213 57,489 0.318 1.00 0.50 1SG 807 ÁTOMO 807 C GLN 101 41,046 59,724 -3,672 1.00 0.50 1SG 808 ATCMO 808 O GLN 101 40,446 60,674 -4,176 1.00 0.50 1SG 809 ATOM 809 N PRO 102 41,375 58.6S4 -4,332 1.00 0.57 1SG 810 ATOM 810 C? PRO 102 40,964 58,525 -5,698 1.00 0.S7 1SG 811 ATOM 811 CD PRO 102 42,668 58,028 -4,098 1.00 0.57 1SG 812 ATOM 812 CB PRO 102 41,873 57,469 -6,321 1.00 0.57 1SG 813 ATOM 813 CG PRO 102 43.1S6 57,556 -5,478 1.00 0.57 1SG 814 ATOM 814 C PRO 102 39,518 58,180 -5,764 1.00 0.57 1SG 81S ATOM 815 OR PRO 102 39,021 57,507 -4,864 1.00 0.57 1SG 816 ATOM 816 N LEU 103 38,823 58,637 -6,818 1.00 0.26 1SG 817 ATOM 817 C? LEO 103 37,446 58,299 -6,967 1.00 0.26 1SG 818 ATOMO 818 CB LEU 103 36,529 59,508 -7,225 1.00 0.26 1SG 819 ATCMO 819 CG LEU 103 35,043 59,129 -7,383 1.00 0.26 1SG 820 ATOMO 820 CD2 LEU 103 34,221 60,312 -7,920 1.00 0.26 1SG 821 ATCMO 821 CDl LEU 103 34,473 58,542 -6,082 1.00 0.26 1SG 822 ATOMO 822 C LEO 103 37,366 57,422 -8,164 1.00 0.26 1SG 823 TCMO 823 O LEU 103 37,940 57,728 -9,207 1.00 0.26 1SG 824 ? TOMO 824 N PHE 104 36,674 56,279 -8,032 1.00 0.08 1SG 825 ATOM 825 C? PHE 104 36.542 S5.422 -9.168 1.00 0.08 1SG 826 TCMO 826 CB PHE 104 37,073 53,998 -8,931 1.00 0.08 1SG 827 TOMO 827 CG PHE 104 37,001 53,256 -10,222 1.00 0.08 1SG 828 ? TOMO 828 CDL PHE 104 37,981 53,414 -11,176 1.00 0.08 1SG 829 ATCMO 829 CD2 PHB 104 35.961 52.393 -10.476 1.00 0.08 1SG 830 ATCMO 830 CEI PHB 104 37.919 52.727 -12.365 1.00 0.08 1SG 831 ATOM 831 CE2 PHE 104 35,892 51,703 -11,664 1.00 0.08 1SG 832 ATOM 832 CZ PHE 104 36,873 51,871 -12,611 1.00 0.08 - 1SG 833 ATOM 833 C PHB 104 35,081 55,331 -9,441 1.00 0.08 1SG 834 TCMO 834 OR PHB 104 34.282 55.127 -8.528 1.00 0.08 1SG 835 ATOMO 835 N LEU 105 34,691 55,515 -10,715 1.00 0.10 1SG 836 ATOM 836 CA LEO IOS 33,306 55,440 -11,062 1.00 0.10 1SG 837 ATCMO 837 CB LEO ios 32,705 56,779 -11,524 1.00 0.10 1SG 838 ATOM 838 CG LEO 105 32,678 57,865 -10,432 1.00 0.10 1SG 839 ATOM 839 CD2 LEO 105 32,015 57,352 -9,144 1.00 0.10 1SG 840 ATOM 840 CDl LEO IOS 32,045 59,163 -10,958 1.00 0.10 1SG 841 ATOMO 841 C LEO IOS 33..203 54.497 -12.208 1.00 0.10 1SG 842 TCMO 842 O LEO IOS 34,173 54,269 -12,929 1.00 0.10 1SG 843 ATOM 843 N ARG 106 32,014 53,900 -12,389 1.00 0.15 1SG 844 ATOMO 844 C? ARG 106 31,866 52,960 -13,452 1.00 0.15 1SG 845 ? TOMO 845 CB ARG 106 32,026 51,519 -12,938 1.00 0.15 1SG 846 TCMO 846 CG ARG 106 31.891 50.409 -13.977 1.00 0.15 1SG 847 ? TOMO 847 CD ARG 106 32,273 49,049 -13,387 1.00 0.15 1SG 848 TCMO 848 NB ARG 106 32,035 48,004 -14,420 1.00 0.15 1SG 849 ATCMO 849 CZ ARG 106 31,108 47,032 -14,187 1.00 0.1S 1SG 850 ÁTOMO 850 NH1 ARG 106 30,419 47,031 -13,009 1.00 0.15 1SG 851 ATOM 851 NH2 ARG 106 30,895 46,057 -15,119 1.00 0.15 1SG 852 ATOMO 852 C ARG 106 30,491 53,116 -14,005 1.00 0.15 1SG 853 TCMO 853 O? RG 106 29,531 53,327 -13,265 1.00 0.15 1SG 854 ATOMO 854 N CYS 107 30,363 53,038 -15,342 1.00 0.16 1SG 855 ATOMO 855 CA CYS 107 29,059 53,096 -15,924 1.00 0.16 1SG 856 ATCMO 856 CB CYS 107 29,005 53,868 -17,255 1.00 0.16 1SG 857 ? TOMO 857 SG CYS 107 29.607 55.572 -17.068 1.00 0.16 1SG 858 ATCMO 858 C CYS 107 28,730 51,668 -16,190 1.00 0.16 1SG 859 ATOM 859 OR CYS 107 29,442 50,988. -16.927 1.00 0.16 1SG 860 ATOMO 860 N HIS 108 27,648 51,164 -15,572 1.00 0.11 1SG 861 ? TOMO 861 CA HIS 108 27.365 49.768 -15.705 1.00 0.11 1SG 862 ATOMO 862 ND1 HXS 108 25,867 46,991 -14,343 1.00 0.11 1SG 863 ATCMO 863 CG HXS 108 27,113 47,571 -14,417 1.00 0.11 1SG 864 ATOM 864 CB HIS 108 27,349 49,051 -14,343 1.00 0.11 1SG 865 ATCMO 865 NE2 HXS 108 27,329 45,329 -14,542 1.00 0.11 1SG 866 ? TOMO 866 CD2 HTS 108 27,995 46,542 -14,541 1.00 0.11 1SG 867 ATCMO 867 CB1 HXS 108 26,055 45,649 -14,420 1.00 0.11 1SG 868 ÁTOMO 868 C HXS 108 26,033 49,600 -16.3S0 1.00 0.11 1SG 869 ATCMO 869 OR HXS 108 25,078 50,307 -16,033 1.00 0.11 1SG 870 ATOMO 870 N GLY 109 25,949 48,636 -17,287 1.00 0.09 1SG 871 ATOM 871 C? GLY 109 24,722 48,381 -17,976 1.00 0.09 1SG 872 ATCMO 872 C GLY 109 24,148 47,131 -17,403 1.00 0.09 1SG 873 ATOMUM 873 OR GLY 109 24,870 46,270 -16,904 1.00 0.09 1SG 874 - | 0 ÁTOMO 874 N TRP 110 22,812 47,003 -17,469 1.00 0.32 1SG 875 ATOMO 875 CA TRP 110 22,150 45,862 -16,919 1.00 0.32 1SG 876 ? TOMO 876 CB TRP 110 20,623 46,057 -16,844 1.00 0.32 1SG 877 ATCMO 877 CG TRP 110 19,843 44,901 -16,269 1.00 0.32 1SG 878 ATOM 878 CD2 TRP 110 18,944 44,087 -17,034 1.00 0.32 1SG 879 TCMO 879 CDl TRP 110 19.782 44.442 -14.985 1.00 0.32 1SG 880 ATOMO 880 NEI TRP 110 18.904 43.387 -14.905 1.00 0.32 1SG 881 ? VOLUME 881 CE2 TRP 110 18,377 43,161 -16,158 1.00 0.32 1SG 882 ATOM 882 CB3 TRP 110 18,613 44,112 -18,358 1.00 0.32 1SG 883 ATCMO 883 CZ2 TRP 110 17,467 42,241 -16,595 1.00 0.32 1SG 884 ATOM 884 CZ3 TRP 110 17,696 43,185 -18,796 1.00 0.32 1SG 885 TCMO 885 CH2 TRP 110 17,134 42,268 -17,932 1.00 0.32 1SG 886 TCMO 886 C TRP 110 22,469 44,684 -17,783 1.00 0.32 1SG 887 ATOMO 887 OR TRP 110 22,612 44,803 -18,999 1.00 0.32 1SG 888 [- ATOMO 888 N? RG 111 22,622 43,507 -17,146 1.00 0.53 1SG 889 13 ATOM 889 CA ARG 111 22,948 42,292 -17,835 1.00 0.53 1SG 890 ATOM 890 CB ARG 111 21,891 41,812 -18,846 1.00 0.53 1SG 891 ATOMO 891 CG? RG 111 20,728 41,061 -18,202 1.00 0.53 1SG 892 ? TOMO 892 CD? RG 111 19.970 40.150 -19.176 1.00 0.53 1SG 893 ATOM 893 NE ARG 111 19,081 40,997 -20,019 1.00 0.53 1SG 894 ATOM 894 CZ ARG 111 18,507 40,481 -21,145 1.00 0.53 1SG 895 ATOMO 895 NH1 ARG 111 18,813 39,213 -21,550 1.00 0.53 1SG 896 ATOM 896 NH2 ARG 111 17,649 41,243 -21,885 1.00 0.53 1SG 897 ATOM 897 C ARG 111 24,232 42,460 -18,581 1.00 0.53 1SG 898 TCMO 898 OR ARG 111 24,532 41,678 -19,482 1.00 0.53 1SG 899 ÁTOMO B99 N ASN 112 25,038 43,468 -18,204 1.00 0.33 1SG 900 ATOMO 900 C? SN 112 26,311 43,678 -18,830 1.00 0.33 1SG 901 ATOMO 901 CB? SN 112 27,335 42,576 -18,504 1.00 0.33 1SG 902 - ÁTOMO 902 CG ASN 112 27,731 42,721 -17,046 1.00 0.33 '1SG 903 0 ATCMO 903 OD1? SN 112 28,052 43,819 -16,594 1.00 0.33 1SG 904 ATCMO 904 ND2 ASN 112 27.702 41.592 -16.288 1.00 0.33 1SG 905 ? TOMO 905 C ASN 112 26,153 43,727 -20,315 1.00 0.33 1SG 906 ATOMO 906 OR ASN 112 26,933 43,116 -21,046 1.00 0.33 1SG 907 ATCMO 907 N TRP 113 25,146 44,464 -20,817 1.00 0.13 1SG 908 ATCMo 908 C? TRP 113 25,015 44,533 -22,240 1.00 0.13 1SG 909 ATOMO 909 CB TRP 113 23,669 45,100 -22,722 1.00 0.13 1SG 910 ÁTONO 910 CG TRP 113 22,493 44,191 -22,444 1.00 0.13 1SG 911 ATONO 911 CD2 TRP 113 22,228 42,976 -23.16S 1.00 0.13 1SG 912 ATOM 912 CDl TRP 113 21.509 44.306 -21.504 1.00 0.13 1SG 913 ATCMO 913 NEI TRP 113 20,640 43,244 -21,602 1.00 0.13 1SG 914 ATCMO 914 CE2 TRP 113 21,075 42,416 -22,619 1.00 0.13 1SG 915 ATOM 915 CE3 TRP 113 22,895 42,373 -24,195 1.00 0.13 1SG 916 ATOMO 916 CZ2 TRP 113 20,571 41,241 -23,102 1.00 0.13 1SG 917 5 ATCMO 917 CZ3 TRP 113 22,379 41,191 -24,679 1.00 0.13 1SG 918 ATOM 918 CH2 TRP 113 21,238 40,635 -24,142 1.00 0.13 1SG 919 ÁTOMO 919 C TRP 113 26,119 45,405 -22,742 1.00 0.13 1SG 920 ÁTOMO 920 OR TRP 113 26,654 46,236 -22,011 1.00 0.13 1SG 921 TCMO 921 N ASP 114 26,496 45,227 -24,022 1.00 0.12 1SG 922 ATCMO 922 C? ASP 114 27,588 45,975 -24,571 1.00 0.12 1SG 923 ATCMO 923 CB ASP 114 27,841 45,683 -26,059 1.00 0. 12 1SG 924 ATOM 924 CG? SP 114 28,304 44,241 -26,189 1.00 0.12 1SG 925 ATOM 925 925 OD1? SP 114 29,314 43,875 -25,531 1.00 0.12 1SG 926 ATOMO 926 OD2? SP 114 27,652 43,486 -26,958 1.00 0.12 1SG 927 ATOMO 927 C ASP 114 27,248 47,423 -24,474 1.00 0.12 1SG 928 ÁTOMO 928 O? SP 114 26,138 47,838 -24,803 1.00 0.12 1SG 929 ATOM 929 N VAL 115 28,212 48,232 -23,999 1.00 0.21 1SG 930 ATOMO 930 C? VAL 115 27,972 49,637 -23,884 1.00 0.21 1SG 931 ATOMO 931 CB VAL 115 27.896 50.121 -22.466 1.00 0.21 1SG 932 TCMO 932 CGl VAL 115 27,643 51,639 -22,481 1.00 0.21 1SG 933? TOMO 933 CG2 VAL 115 26,813 49,317 -21,728 1.00 0.21 1SG 934 ATOMO 934 C VAL 115 29.128 50.336 -24.516 1.00 0.21 1SG 935 ? TOMO 935 OR VAL 115 30.265 49.873 -24.449 1.00 0.21 1SG 936 TCMO 936 H TYR 116 28,848 51,473 -25,172 1.00 0.44 ISG 937 ATOM 937 C? TYR 116 29,880 52,234 -2S .804 1.00 0.44 1SG 938 ATOMO 938 CB TYR 116 30,062 51,874 -27,283 1.00 0.44 1SG 939 TCMO 939 CG TYR 116 28,712 52,007 -27,883 1.00 0.44 1SG 940 ? TOMO 940 CDl TYR 116 28.279 53.200 -28.399 1.00 0.44 1SG 941 ATOMO 941 CD2 TYR 116 27,864 50,929 -27,902 1.00 0.44 1SG 942 ATOMO 942 CEI TYR 116 27,023 53,311 -28,945 1.00 0.44 1SG 943 ATOMO 943 CE2 TYR 116 26.607 51.031 -28.445 1.00 0.44 1SG 944 ATOM 944 CZ TYR 116 26,183 52,225 -28,971 1.00 0.44 1SG 945 ATOM 945 OH TYR 116 24,892 52,332 -29,530 1.00 0.44 1SG 946 ATOM 946 C TYR 116 29,464 53,663 -25,712 1.00 0.44 1SG 947 ATOMO 947 OR TYR 116 28,359 53,962 -25,263 1.00 0.44 1SG 948 ATOMO 948 H LYS 117 30,353 54,580 -26,142 1.00 0.45 1SG 949 ATOM 949 C? LYS 117 30,080 55,988 -26,073 1.00 0.45 1SG 950 ATCMO 950 CB LYS 117 29,019 56,496 -27,064 1.00 0.45 1SG 951 TCMO 951 CG LYS 117 29,519 56,616 -28,501 1.00 0.45 1SG 952 ATOM 952 CD LYS 117 28,443 57,089 -29,479 1.00 0.45 1SG 953 ÁTOMO 953 CE LYS 117 28,988 57,432 -30.86S 1.00 0.45 1SG 954 ATOM 954 HZ LYS 117 29,035 56,215 -31,705 1.00 0.45 1SG 955 ? TOMO 955 C LYS 117 29.606 56.330 -24.702 1.00 0.45 1SG 956 TCMO 9S6 O LYS 117 28,453 56,713 -24,513 1.00 0.45 1SG 957 ATOMO 957 N VAL 118 30,497 56,195 -23,704 1.00 0.21 1SG 958 ÁTOMO 958 CA VAL 118 30.122 56.475 -22.352 1.00 0.21 1SG 959 ÁTOMO 959 CB VAL 118 30.761 55.541 -21.370 1.00 0.21 1SG 960 TOMO 960 CGl VAL 118 30,419 56,016 -19,953 1.00 0.21 1SG 961 ATCMO 961 CG2 VAL 118 30,294 54,109 -21,678 1.00 0.21 1SG 962 ATOM 962 C VAL 118 30,579 57,856 -22,012 1.00 0.21 1SG 963 ATOM 963 OR VAL 118 31,688 58,262 -22,354 1.00 0.21 1SG 964 ATCMO 964 N XLE 119 29.704 58.631 -21.340 1.00 0.09 1SG 965 ATCMO 965 CA I LE 119 30,083 59.95S -20.951 1.00 0.09 1SG 966 ATOMO 966 CB XLE 119 29,298 61,032 -21,637 1.00 0.09 1SG 967 ATOMO 967 CG2 XLE 119 29,724 62,381 -21,035 1.00 0.09 1SG 968 ? TOMO 968 CGl ILE 119 29,490 60,945 -23,159 1.00 0.09 1SG 969 ? TOMO 969 CDl ILE 119 28.509 61.812 -23.947 1.00 0.09 1SG 970 TCMO 970 C XLE 119 29,821 60,088 -19,488 1.00 0.09 1SG 971 TCMO 971 OR ILE 119 28,827 59,579 -18,972 1.00 0.09 1SG 972 ATOM 972 H TYR 120 30,737 60,771 -18,778 1.00 0.09 1SG 973 ATOM 973 C? TYR 120 30,560 61,006 -17,378 1.00 0.09 1SG 974 ATCM ° 974 CB TYR 120 31,820 60,775 -16,525 1.00 0.09 1SG 975 ATOMO 975 CG TYR 120 31,970 59,317 -16,261 1.00 0.09 1SG 976 ATOM 976 CDl TYR 120 32,530 58,457 -17,178 1.00 0.09 1SG 977 ATOM 977 CD2 TYR 120 31,540 58,817 -15,054 1.00 0.09 1SG 978 ATCMO 978 CB1 TYR 120 32,652 57,117 -16,885 1.00 0.09 1SG 979 TCMO 979 CE2 TYR 120 31,659 57,483 -14,755 1.00 0.09 1SG 980 TCMO 980 CZ TYR 120 32,217 56,631 -15,673 1.00 0.09 1SG 981 ATOM 981 OH TYR 120 32,335 55,263 -15,355 1.00 0.09 1SG 982 ATOM 982 C TYR 120 30,176 62,434 -17,220 1.00 0.09 1SG 983 TOMO 983 O TYR 120 30,750 63,318 -17,855 1.00 0.09 1SG 984 ATOM 984 N TYR 121 29 * .163 62,691 -16,372 1.00 0.18 1SG 985 ATCMO 985 C? TYR 121 28,723 64,038 -16,193 1.00 0.18 1SG 986 ATOMO 986 CB TYR 121 27,258 64,245 -16,599 1.00 0.18 1SG 987 ? TOMO 987 CG TYR 121 27,150 63,949 -18,056 1.00 0.18 1SG 988 TCMO 988 CDl TYR 121 27,377 64,931 -18,993 1.00 0.18 1SG 989 ATOM 989 CD2 TYR 121 26,824 62,683 -18,486 1.00 0.18 1SG 990 ATOM 990 CEI TYR 121 27,275 64,654 -20,337 1.00 0.18 1SG 991 ATOM 991 CBZ TYR 121 26,720 62,402 -19,827 1.00 0.18 1SG 992 ATOM 992 CZ TYR 121 26,942 63,389 -20,756 1.00 0.18 1SG 993 ATOMO 993 OH TYR 121 26.834 63.101 -22.133 1.00 0.18 1SG 994 ATOM 994 C TYR 121 28,829 64,371 -14,740 1.00 0.18 1SG 995 ? TOMO 995 OR TYR 121 28,541 63,547 -13,874 1.00 0.18 1SG 996? TOMO 996 M LYS 122 29,284 65,605 -14,456 1.00 0.28 1SG 997 ATOMO 997 C? LYS 122 29,428 66,129 -13,134 1.00 0.28 1SG 998 ATOM 998 CB LYS 122 30,880 66,537 -12,818 1.00 0.28 1SG 999 ATOM 999 CG LYS 122 31,137 66,957 -11,369 1.00 0.28 1SG1000 ATOMO 1000 CD LYS 122 32.608 67.287 -11.095 1.00 0.2B 1SG1001 ATOMO 1001 CB LYS 122 33,591 66,393 -11,855 1.00 0.28 1SG1002 ATOM 1002 HZ LYS 122 34,985 66,786 -11,541 1.00 0.28 1SG1003 ? TOMO 1003 C LYS 122"28,641 67,394 -13,143 1.00 0.28 1SG1004 ATOM 1004 OR LYS 122 29,023 68,358 -13,804 1.00 0.28 1SG1005 ATCMO 1005 N ASP 123 27,517 67,417 -12,408 1.00 0.20 1SG1006 TCMO 1006 C? ? SP 123 26,698 68,590 -12,349 1.00 0.20 1SG1007 ÁTOMO 1007 CB ASP 123 27,342 69,736 -11,555 1.00 0.20 1SG1008 ATOMO 1008 CG ASP 123 27.300 69.305 -10.096 1.00 0.20 1SG1009 ATOMO 1009 OD1 ASP 123 26.407 68.486 -9.750 1.00 0.20 1SG1010 ATOM 1010 OD2? SP 123 28,159 69,781 -9,310 1.00 0.20 1SG1011 ? TOMO 1011 C ASP 123 26,373 69,035 -13,739 1.00 0.20 1SG1012 ? TOMO 1012 OR ASP 123 26.275 70.230 -14.018 1.00 0.20 1SG1013 ATOM 1013 N GLY 124 26,196 68,062 -14,652 1.00 0.17 1SG1014 ATOMO 1014 C? GLY 124 25.784 68.369 -15.990 1.00 0.17 1SG1015 ATOM 1015 C GLY 124 26,969 68,690 -16,840 1.00 0.17 1SG1016 ATOM 1016 OR GLY 124 26,818 69,053 -18,006 1.00 0.17 1SG1017 ATOMO 1017 N GLU 125 28,189 68,566 -16,293 1.00 0.24 1SG1018 ATOM 1018 C? GLO 125 29,322 68,878 -17,110 1.00 0.24 1SG1019 ATOMO 1019 CB GLU 125 30,365 69,739 -16,386 1.00 0.24 1SG1020 ATOM 1020 CG GLO 125 31,381 70,369 -17,331 1.00 0.24 1SG1021 ATOMO 1021 CD GLU 125 32,334 71,210 -16,497 1.00 0.24 1SG1022 ATOM 1022 OBI GLU 125 32,596 70,818 -15,328 1.00 0.24 1SG1023 ATOM 1023 OB2 GLU 125 32.807 72.256 -17.015 1.00 0.24 1SG1024 ATOM 1024 C GLU 125 29,961 67,582 -17,482 1.00 0.24 1SG102S ATOMO 1025 OR GLU 125 30,165 66,716 -16,637 1.00 0.24 15G1026 ATOMO 1026 N ALA 126 30,306 67,396 -18,766 1.00 0.26 1SG1027 ATCMO 1027 C? ALA 126 30,860 66,125 -19,130 1.00 0.26 1SG1028 ÁTOMO 1028 CB ALA 126 30,790 65,834 -20,639 1.00 0.26 1SG1029 ATOMO 1029 C? LA 126 32.302 66,112 -18,741 1.00 0.26 1SG1030 ATOMO 1030 OR ALA 126 33. 114 66.845 -19.302 1.00 0.26 1SG1031 ATOMO 1031 N LEO 127 32,645 65,289 -17,731 1.00 0.39 1SG1032 ATOM 1032 C? LEO 127 34.008 65.183 -17.302 1.00 0.39 1SG1033 ATOM 1033 CB LEO 127 34,179 64,277 -16,074 1.00 0.39 13G1034 ATOMO 1034 CG LEO 127 33,482 64,807 -14,812 1.00 0.39 1SG1035 ATOM 1035 CD2 LEU 127 33.881 63.986 -13.576 1.00 0.39 1SG1036 TCMO 1036 CDl LEU 127 31,960 64,884 -15,010 1.00 0.39 1SG1037 ATOM 1037 C LEU 127 34,796 64,549 -18,400 1.00 0.39 1SG1038 ATCMO 1038 OR LEO 127 35,840 65,061 -18 .800 1.00 0.39 1SG1039 ATOM 1039 N LYS 128 34,304 63,411 -18,933 1.00 0.43 1SG1040 ATOM 1040 C? LYS 128 35,062 62,772 -19,966 1.00 0.43 1SG1041 ATOMO 1041 CB LYS 128 36,120 61,788 -19,443 1.00 0.43 1SG1042 ATOM 1042 CG LYS 128 35,512 60,519 -18,844 1.00 0.43 1SG1043 ATCMO 1043 CD LYS 128 36,528 59,394 -18,642 1.00 0.43 1SG1044 ATOM 1044 CB LYS 128 35,890 58,054 -18,279 1.00 0.43 1SG1045 ATOMO 1045 NZ LYS 128 35,161 57,519 -19,451 1.00 0.43 1SG1046 ATCMO 1046 C LYS 128 34,135 61,974 -20. B20 1.00 0.43 1SG1047 ATOM 1047 OR LYS 128 33,048 61,582 -20,398 1.00 0.43 1SG1048 ATOM 1048 N TYR 129 34,557 61,737 -22,075 1.00 0.26 1SG1049 ATOM 1049 C? TYR 129 33,811 60,931 -22,993 1.00 0.26 1SG1050 ATOMO 1050 CB TYR 129 33,135 61,748 -24,108 1.00 0.26 1SG1051 TCMO 1051 CG TYR 129 32.753 60.810 -25.201 1.00 0.26 13G1052 ATOM 1052 CDl TYR 129 31,645 59,997 -25,109 1.00 0.26 1SG1053 ATOM 1053 CD2 TYR 129 33,524 60,758 -26,339 1.00 0.26 1SG10S4 ATCMO 1054 CEI TYR 129 31,320 59,142 -26,139 1.00 0.26 1SG105S ATCMO 1055 CE2 TYR 129 33".205 59,908 -27,369 1.00 0.26 1SG1056 ATCMO 1056 CZ TYR 129 32.101 59.099 -27.271 1.00 0.26 1SG10S7 ATCMO 1057 OH TYR 129 31.779 58.229 -28.332 1.00 0.26 1SG1058 ATOM 1058 C TYR 129 34,778 59,999 -23,647 1.00 0.26 1SG1059 TCMO 1059 O TYR 129 35,824 60,422 -24,135 1.00 0.26 1SG1060 ATOMO 1060 N TRP 130 34,462 58,689 -23. 653 1.00 0. 16 1SG1061 ATOMO 1061 C? TRP 130 35,333 57,766 -24,319 1.00 0.16 1SG1062 ATOM 1062 CB TRP 130 36,317 57,060 -23,376 1.00 0.16 1SG1063 ATOMO 1063 CG TRP 130 37.415 56.304 -24.085 1.00 0.16 1SG1064 ATOM 1064 CD2 TRP 130 38,743 56,820 -24,263 1.00 0.16 1SG1065 ATOM 1065 CDL TRP 130 37,411 55,054 -24,630 1.00 0.16 1SG1066 ATOM 1066 NEI TRP 130 38,651 54,765 -25,146 1.00 0.16 1SG1067 TCMO 1067 CE2 TRP 130 39,481 55,840 -24,923 1.00 0.16 1SG106B TCMO 1068 CE3 TRP 130 39,304 58,011 -23,900 1.00 0.16 1SG1069 TCMO 1069 CZ2 TRP 130 40,797 56,035 -25,232 1.00 0.16 1SG1070 ATOM 1070 CZ3 TRP 130 40,631 58,206 -24,218 1.00 0.16 1SG1071 ATOM 1071 CH2 TRP 130 41,364 57,237 -24,872 1.00 0.16 1SG1072 ATCMO 1072 C TRP 130 34,445 56,710 -24,894 1.00 0.16 1SG1073 ATOMO 1073 OR TRP 130 33,462 56,312 -24,270 1.00 0.16 1SG1074 ATOM 1074 H TYR 131 34,742 56,241 -26,120 1.00 0.17 1SG1075? TOMO 1075 C? TYR 131 33,876 55,242 -26,671 1.00 0.17 1SG1076 ATOMO 1076 CB TYR 131 34.256 54.830 -28.102 1.00 0.17 1SG1077 ATOM 1077 CG TYR 131 33,897 55,923 -29,045 1.00 0.17 1SG107B ATOM 1078 CDl TYR 131 34,677 57,051 -29,158 1.00 0.17 1SG1079 ATOM 1079 CD2 TYR 131 32.777 55.801 -29.833 1.00 0.17 1SG1080 ? TOMO 1080 CEI TYR 131 34,335 58,049 -30,040 1.00 0.17 1SG1081 ATCMO 1081 CE2 TYR 131 32,430 56,794 -30,716 1.00 0.17 1SG1082 ATOM 1082 CZ TYR 131 33,211 57,920 -30,821 1.00 0.17 1SG1083 ATOM 1083 OH TYR 131 32,855 58,940 -31,729 1.00 0.17 1SG1084 ATCMO 1084 C TYR 131 33,952 53,988 -25,858 1.00 0.17 1SG10B5 ATOM 1085 OR TYR 131 32,949 53,520 -25,323 1.00 0.17 1SG10B6 ATOM 1086 H GLO 132 35,164 53,409 -25,753 1.00 0.19 1SG1087 I TAKE 1087 C? GLU 132 35,336 52,145 -25,095 1.00 0.19 1SG10B8 ATOM 1088 CB GLU 132 36,595 51,383 -25,550 1.00 0.19 1SG1089 ATOM 1089 CG GLU 132 37,918 52,085 -25,259 1.00 0.19 1SG1090 ? TOMO 1090 CD GLO 132 39,023 51,244 -25,885 1.00 0.19 1SG1091 ÁTOMO 1091 OEl GLO 132 38,999 49,998 -25,702 1.00 0.19 1SG1092 ATCMO 1092 OE2 GLO 132 39,905 51,838 -26. S61 1.00 0.19 1SG1093 ATOM 1093 C GLO 132 35,334 52,226 -23,595 1.00 0.19 1SG1094 ATOMO 1094 OR GLO 132 34.604 51.333 -22.938 1.00 0.19 1SG1095 ATCMO 1095 H? SN 133 35.901 53.300 -23.008 1.00 0.18 1SG1096 TCMO 1096 C? ? SH 133 36.132 53.303 -21.586 1.00 0.18 1SG1097 ATCMO 1097 CB? SH 133 37,146 54,366 -21,119 1.00 0.18 1SG109B ATOM 1098 CG? SH 133 37,569 54,017 -19,697 1.00 0.18 1SG1099 ATOM 1099 OD1 ASH 133 36,964 53,162 -19,050 1.00 0.18 1SG1100 ATOM 1100 HD2 ASH 133 38,631 54,700 -19,191 1.00 0.18 1SG1101 ATOM 1101 C ASN 133 34,876 53,504 -20,800 1.00 0.18 1SG1102 ATOMO 1102 OR ASN 133 34.256 54.566 -20.828 1.00 0.18 1SG1103 TCMO 1103 N HIS 134 34,477 52,431 -20,089 1.00 0.16 1SG1104? TOMO 1104 C? HIS 134 33,342 52,361 -19,214 1.00 0.16 1SG1105 ATOM 1105 ND1 HIS 134 31,445 50,137 -20,751 1.00 0.16 1SG1106 TCMO 1106 CG HXS 134 32.655 50.103 -20.093 1.00 0.16 1SG1107 ATCMO 1107 CB HXS 134 32,970 50,911 -18,870 1.00 0.16 1SG1108 ÁTOMO 1108 NE2 HXS 134 32,738 48,717 -21,871 1.00 0.16 1SG1109 ATOMO 1109 CD2 BIS 134 33,432 49,231 -20,790 1.00 0.16 1SG 110 ÁTOMO 1110 CB1 HXS 134 31,550 49,291 -21,805 1.00 0.16 1SG1111 ? TCMO llll C HIS 134 33,620 53,068 -17,920 1.00 0.16 1SG1112 ATCMO 1112 OR HXS 134 32,711 53,632 -17,314 1.00 0.16 1SG1113 ATCMO 1113 N ASN 135 34.887 53.046 -17.453 1.00 0.14 1SG1114 ATOM 1114 C? ASN 13S 35,191 53,542 -16,136 1.00 0.14 1SG111S ATOM 1115 CB ASN 135 36,182 52,646 -15,379 1.00 0.14 1SG1116 ATOM 1116 CG ASN 135 35,543 51,277 -15,216 1.00 0.14 1SG1117 ATOM 1117 OD1 ASN 135 34,446 51,144 -14,676 1.00 0.14 1SG111B ? TOMO 1118 HD2 ASN 135 36,246 50,224 -15,714 1.00 0.14 1SG1119 ? TCMO 1119 C? SH 135 35,824 54,896 -16,197 1.00 0.14 1SG1120 ÁTOMO 1120 O? SH 135 36,357 55,313 -17,223 1.00 0.14 1SG1121 ATOMO 1121 N ILE 136 35,735 55,630 -15,065 1.00 0.19 1SG1122 ATOM 1122 CA XLE 136 36,343 56,921 -14,918 1.00 0.19 1SG1123 ATOM 1123 CB XLB 136 35,366 58,059 -14,963 1.00 0.19 1SG1124 ATOM 1124 CG2 XLE 136 34,435 57,932 -13,746 1.00 0.19 1SG1125 ATOMO 1125 CGl XLE 136 36,110 59,402 -15,040 1.00 0.19 1SG1126 ATOM 1126 CDl XLE 136 35,202 60,579 -15,391 1.00 0.19 1SG1127 ATOMO 1127 C XLE 136 36.965 56.9S2 -13.559 1.00 0.19 1SG1128 ATOM 1128 OR XLE 136 36,449 56,350 -12,619 1.00 0.19 1SG1129 ATOMO 1129 N SER 137 38,112 57,642 -13,419 1.00 0.24 1SG1130 ATOM 1130 C? SER 137 38,739 57,700 -12,133 1.00 0.24 1SG1131 ATOMO 1131 CB SER 137 39,970 56,783 -12,034 1.00 0.24 1SG1132 ATCMO 1132 OG SER 137 40,555 56,873 -10,745 1.00 0.24 1SG1133 ATOM 1133 C SBR 137 39,198 59,104 -11,907 1.00 0.24 1SG1134 ATOM 1134 OR SER 137 39,686 59,763 -12,823 1.00 0.24 1SG1135 ATCMO 1135 H XLE 138 39,035 59,607 -10,670 1.00 0.31 1SG1136 ATOM 1136 CA ILE 138 39,486 60,933 -10,378 1.00 0.31 1SG1137? TOMO 1137 CB ILE 138 38,419 61,805 -9,789 1.00 0.31 1SG1138 ATOM 1138 CG2 XLB 13B 39,058 63,162 -9,443 1.00 0.31 1SG1139 ATCMO 1139 CGl ILB 138 37,227 61,911 -10,757 1.00 0.31 1SG1140 ATOM 1140 CDl XLE 13B 35,963 62,479 -10,116 1.00 0.31 1SG1141 ? VOLUME 1141 C XLB 138 40.547 60.785 -9.343 1.00 0.31 1SG1142 ATOM 1142 OR ILE 138 40,328 60,190 -8,290 1.00 0.31 1SG1143 ATOM 1143 H THR 139 41,743 61,328 -9,610 1.00 0.40 1SG1144 ATOMO 1144 C? THR 139 42,788 61,172 -8,648 1.00 0.40 1SG1145 ATOMO 1145 CB THR 139 44.128 60.908 -9.262 1.00 0.40 1SG1146 ATOM 1146 OG1 THR 139 44,467 61,963 -10,149 1.00 0.40 1SG1147 ATOM 1147 CG2 THR 139 44,075 59,569 -10,013 1.00 0.40 1SG1148 ATOMO 1148 C THR 139 42,873 62,438 -7,870 1.00 0.40 1SG1149 ATCMO 1149 OR THR 139 42.513 63.503 -8.369 1.00 0.40 1SG1150 ÁTOMO 1150 N? SN 140 43,351 62,333 -6,613 1.00 0.29 1SG1151 ATOMO 1151 CA? SN 140 43,471 63,472 -5,750 1.00 0.29 1SG1152 ATOMO 1152 CB ASH 140 44,596 64,437 -6,160 1.00 0.29 1SG1153 ATOM 1153 CG ASN 140 45,928 63,762 -5,868 1.00 0.29 1SG11S4 ? VOLUME 1154 OD1 ASN 140 46,306 62,785 -6,513 1.00 0.29 1SG1155 ATOM 1155 ND2 ASN 140 46,667 64,304 -4,864 1.00 0.29 1SG1156 ATOMO 1156 C? SN 140 42,181 64,224 -5,754 1.00 0.29 1SG1157 ATCMO 11570 ASH 140 42,115 65,358 -6,226 1.00 0.29 1SG11S8 ATONO 1158 N ALA 141 41,113 63,595 -5,227 1.00 0.26 1SG1159 ATOM 1159 CA ALA 141 39,821 64,215 -5,216 1.00 0.26 1SG1160 ATOMO 1160 CB ALA 141 38.719 63.333 -4.603 1.00 0.26 1SG1161 ? TOMO 1161 C ALA 141 39.898 6S.471 -4.413 1.00 0.26 13G1162 ? TCMO 1162 OR WING 141 40,719 65,603 -3.507 1.00 0.26 1SG1163 ATOM 1163 N THR 142 39,031 66,442 -4,762 1.00 0.35 1SG1164 ATOM 1164 C? THR 142 38,998 67,708 -4,097 1.00 0.35 1SG1165 ATOM 1165 CB THR 142 39,528 68,833 -4,935 1.00 0.35 1SG1166 ATONO 1166 OG1 THR 142 39,621 70,022 -4,165 1.00 0.35 1SG1167 ATOMO 1167 CG2 THR 142 38,582 69,043 -6,130 1.00 0.35 1SG1168 ÁTOMO 1168 C THR 142 37,569 68,019 -3.789 1.00 0.35 1SG1169 ATOM 1169 OR THR 142 36,665 67,266 -4,145 1.00 0.35 1SG1170 ATOM 1170 N VAL 143 37,343 69,150 -3,095 1.00 0.29 1SG1171 ATCMO 1171 C? VAL 143 36,032 69.S74 -2,700 1.00 0.29 1SG1172 ÁTOMO 1172 CB VAL 143 36,059 70,811 -1.8S6 1.00 0.29 1SG1173 ÁTOMO 1173 CGl VAL 143 34,611 71,189 -1.502 1.00 0.29 1SG1174 ATOM 1174 CG2 VAL 143 36,953 70,542 -0,631 1.00 0.29 1SG117S ATOM 1175 C VAL 143 35,226 69,861 -3,926 1.00 0.29 1SG1176 ? TOMO 1176 OR VAL 143 34,025 69,598 -3,970 1.00 0.29 1SG1177 ? VOLUME 1177 N GLO 144 35.880 70.403 -4.967 1.00 0.25 1SG1178 ÁTOMO 1178 CA GLO 144 35,205 70,752 -6,183 1.00 0.25 1SG1179 ATOMO 1179 CB GLO 144 36,143 71,376 -7,228 1.00 0.25 1SG1180 ÁTOMO 1180 CG GLU 144 36,668 72,746 -6,801 1.00 0.25 1SG1181 ATOM 1181 CD GLO 144 37,666 72,520 -5,676 1.00 0.25 1SG1182 ATOMO 1182 OEl GLU 144 38.780 72.013 -5.971 1.00 0.25 1SG1183 ATOM 1183 OE2 GLU 144 37,326 72,845 -4,507 1.00 0.25 1SG1184 ÁTOMO 1184 C GLO 144 34,635 69,501 -6,767 1.00 0.25 1SG118S ATOM 1185 OR GLO 144 33,591 69,521 -7,417 1.00 0.25 1SG1186 ATOMO 1186 H ASP 145 35,312 68,367 -6,525 1.00 0.22 1SG1187 ATOM 1187 C? ? SP 145 34.927 67.107 -7.086 1.00 0.22 1SG1188 TCMO 1188 CB ASP 145 35.83S 65.959 -6.608 1.00 0.22 1SG1189 ? TCMO 1189 CG ASP 145 35,542 64,709 -7,427 1.00 0.22 1SG1190 ? TOMO 1190 OD1? SP 145 34,357 64,287 -7,484 1.00 0.22 1SG1191 ? TCMO 1191 OD2 ASP 145 36,511 64,160 -8,016 1.00 0.22 1SG1192 ATCMO 1192 C ASP 145 33,523 66,785 -6,680 1.00 0.22 1SG1193 ? TOMO 1193 OR? SP 145 32,759 66,255 -7,486 1.00 0.22 1SG1194 ATOMO 1194 H SBR 146 33,134 67,103 -5,430 1.00 0.20 1SG1195 ATOMO 1195 C? SER 146 31,813 66,766 -4,974 1.00 0.20 1SG1196 ATOM 1196 CB SBR 146 31,492 67,291 -3,563 1.00 0.20 1SG1197 ÁTOMO 1197 OG SBR 146 31,476 68,711 -3,564 1.00 0.20 1SG1198 ÁTOMO 1198 C SBR 146 30,806 67,344 -5,914 1.00 0.20 1SG1199 ATCMO 1199 OR SBR 146 31,006 68,414 -6,488 1.00 0.20 1SG1200 ÁTOMO 1200 N GLY 147 29,691 66,614 -6,114 1.00 0.21 1SG1201 ATCMO 1201 C? GLY 147 28.676 67.077 -7.012 1.00 0.21 1SG1202 ATOM 1202 C GLY 147 27,818 65,904 -7,348 1.00 0.21 1SG1203 ATOMO 1203 O GLY 147 27,869 64,869 -6,686 1.00 0.21 1SG1204 ATCMO 1204 H THR 148 26,991 66,048 -8,399 1.00 0.17 1SG1205 ATCMO 1205 C? THR 148 26,137 64,966 -8,774 1.00 0.17 1SG1206 ATCMO 1206 CB THR 148 24,735 65,398 -9,070 1.00 0.17 1SG1207 ATOM 1207 OG1 THR 148 24,174 66,037 -7,933 1.00 0.17 1S61208 ? TOMO 1208 CG2 THR 148 23.912 64.152 -9.424 1.00 0.17 1SG1209 ? TCMO 1209 C THR 148 26.701 64.381 -10.022 1.00 0.17 1SG1210 ATCMO 1210 OR THR 148 27,063 65,103 -10,949 1.00 0.17 1SG1211 ATCMO 1211 H TYR 149 26.809 63.040 -10.068 1.00 0.12 1SG1212 ATOM 1212 C? TYR 149 27,360 62,412 -11,231 1.00 0.12 1SG1213 ? TOMO 1213 CB TYR 149 28.585 61.526 -10.948 1.00 0.12 1SG1214 ATOMO 1214 CG TYR 149 29.753 62.381 -10.600 1.00 0.12 1SG1215 ATOMO 1215 CDl TYR 149 29,899 62,900 -9,335 1.00 0.12 1SG1216 ATOMO 1216 CD2 TYR 149 30,712 62,647 -11,548 1.00 0.12 1SG1217 ATCMO 1217 CEI TYR 149 30,988 63,680 -9,026 1.00 0.12 1SG1218 TCMO 1218 CE2 TYR 149 31.803 63.425 -11.245 1.00 0.12 1SG1219 ATCMO 1219 CZ TYR 149 31,940 63,945 -9,981 1.00 0.12 1SG1220 ATOM 1220 OH TYR 149 33,057 64,744 -9,663 1.00 0.12 1SG1221 ATOM 1221 C TYR 149 26,341 61,495 -11,819 1.00 0.12 1SG1222 ATOMO 1222 0 TYR 149 25,587 60,836 -11,105 1.00 0.12 1SG1223 ATOM 1223 N TYR 150 26,286 61,458 -13,164 1.00 0.12 1SG1224 ATOMO 1224 C? TYR 150 25,436 60,528 -13,842 1.00 0.12 1SGÍ225 ATCMO 1225 CB TYR ISO 24,026 61.0S6 -14,177 1.00 0.12 1SG1226 ATCMO 1226 CG TYR 150 24,091 62,236 -15,083 1.00 0.12 1SG1227 ATCMO 1227 CDl TYR 150 24,135 62,078 -16,450 1.00 0.12 1SG1228 TCMO 1228 CD2 TYR 150 24,090 63,507 -14,559 1.00 0.12 1SG1229 ATOM 1229 CEI TYR 150 24,184 63,175 -17,277 1.00 0.12 1SG1230 ATOMO 1230 CE2 TYR 150 24.140 64.607 -15.380 1.00 0.12 1SG1231 ATCMO 1231 CZ TYR 150 24,186 64,441 -16,741 1.00 0.12 1SG1232 ATOMO 1232 OH TYR 150 24,236 65,569 -17,586 1.00 0.12 1SG1233 ATOMO 1233 C TYR 150 26,154 60,142 -15,092 1.00 0.12 1SG1234 ATOM 1234 OR TYR 150 27.127 60.786 -15.483 1.00 0.12 1SG1235 ATOMO 1235 N CYS 151 25,714 59,054 -15,747 1.00 0.27 1SG1236 ATCMO 1236 C? CYS 151 26,449 5S .61S -16,891 1.00 0.27 1SG1237 ATOMO 1237 CB CYS 151 27,202 S7.301 -16,613 1.00 0.27 1SG1238 ATOMO 1238 SG CYS 151 28,205 56,708 -18,002 1.00 0.27 1SG1239 ATOMO 1239 C CYS 151 25,494 58,381 -18,012 1.00 0.27 1SG1240 ATOM 1240 0 CYS 151 24,314 58,113 -17,797 1.00 0.27 1SG1 41 ATOMO 1241 N THR 152 25,991 58,533 -19,254 1.00 0.37 1SG1242 ATOM 1242 C? THR 152 25,213 58,239 -20,419 1.00 0.37 15G1243 ATOM 1243 CB THR 152 24.881 59.420 -21.283 1.00 0.37 1SG1244 ? TOMO 1244 OG1 THR 1S2 26,039 60,203 -21,521 1.00 0.37 1SG1245 TCMO 1245 CG2 THR 152 23,764 60,239 -20,631 1.00 0.37 1SG1246 ? TCMO 1246 C THR 152 25,993 57,273 -21,235 1.00 0.37 1SG1247 ATCMO 1247 OR THR 152 27,222 57,258 -21,206 1.00 0.37 1SG1248 ATOMO 1248 N GLY 153 25.276 56.407 -21.972 1.00 0.21 1SG1249 ATCMO 1249 C? GLY 153 25.949 55.443 -22.782 1.00 0.21 1SG12S0 ATOMO 1250 C GLY 153 24,927 54,865 -23,693 1.00 0.21 1SG1251 ATOM 1251 OR GLY 153 23,727 54,978 -23,449 1.00 0.21 1SG1252 ? TOMO 1252 N LYS 154 25,384 54,221 -24,781 1.00 0.12 1SG12S3 ATONO 1253 C? LYS 154 24,429 53,670 -25,687 1.00 0.12 1SG1254 ATOMO 1254 CB LYS 154 24,681 54,054 -27,152 1.00 0.12 1SG1255 ATOM 1255 CG LYS 154 24,557 55,554 -27,414 1.00 0.12 1SG1256 ATOM 1256 CD LYS 154 25.103 55.976 -28.778 1.00 0.12 1SG1257 ATOM 1257 CE LYS 154 24,981 57,477 -29,048 1.00 0.12 1SG12S8 ATCMO 1258 HZ LYS 154 25,536 57,801 -30,382 1.00 0.12 1SG1259 ATOMO 1259 C LYS 154 24,520 52,188 -25,611 1.00 0.12 1SG1260 ATOM 1260 OR LYS 154 25,575 51,600 -25,848 1.00 0.12 1SG1261 ÁTOMO 1261 H VAL 155 23,395 51,548 -25,250 1.00 0.20 1SG1262 ? TOMO 1262 C? VAL 155 23,342 50,123 -25,248 1.00 0.20 1SG1263 ATOMO 1263 CB VAL 155 22,778 49,535 -23,985 1.00 0.20 1SG1264 ÁTOMO 1264 CGl VAL 155 23,730 49,874 -22,824 1.00 0.20 1SG1265 ATOMO 1265 CG2 VAL 155 21,347 50,064 -23,790 1.00 0.20 1SG1266 ATOMO 1266 C VAL 155 22,424 49,793 -26,367 1.00 0.20 1SG1267 ATOMO 1267 OR VAL 155 21.364 50.401 -26.514 1.00 0.20 1SG1268 ATOM 1268 H TRP 156 22,830 48,847 -27,226 1.00 0.33 1SG1269 ATCMO 1269 C? TRP 156 21,988 48,552 -28,338 1.00 0.33 1SG1270 ATCMO 1270 CB TRP 156 20,541 48,207 -27,940 1.00 0.33 1SG1271 ? TOMO 1271 CG TRP 156 20,416 46,980 -27,065 1.00 0.33 1SG1272 ATOMO 1272 CD2 TRP 156 20,349 45,628 -27,548 1.00 0.33 1SG1273 ATCMO 1273 CDl TRP 156 20,351 46,905 -25,705 1.00 0.33 1SG1274 ATOMO 1274 NEI TRP 156 20,250 45,593 -25,308 1.00 0.33 1SG127S ATOM 1275 CE2 TRP 156 20,248 44,795 -26,433 1.00 0.33 1SG1276 ATOMO 1276 CB3 TRP 156 20,371 45,122 -28,816 1.00 0.33 13G1277 ATOM 1277 CZ2 TRP 156 20,169 43,438 -26,570 1.00 0.33 1SG1278 ? TOMO 1278 CZ3 TRP 156 20,290 43,752 -28,949 1.00 0.33 13G1279 ATOM 1279 CH2 TRP 156 20,191 42,926 -27,848 1.00 0.33 1SG1280 TCMO 1280 C TRP 156 21,971 49,807 -29,139 1.00 0.33 1SG1281 ATCMO 1281 OR TRP 156 22.916 50.595 -29.101 1.00 0.33 1SG1282 ATOMO 1282 N GLN 157 20,880 50,014 -29,892 1.00 0.49 1SG1283 ATOM 1283 C? GLN 157 20,742 51,178 -30,711 1.00 0.49 1SG1284 ATOMO 1284 CB GLN 157 19,491 51,114 -31,599 1.00 0.49 1SG1285 ATOM 1285 CG GLN 157 19,421 49,846 -32,447 1.00 0.49 1SG1286 ATOM 1286 CD GLN 157 20,718 49,744 -33,227 1.00 0.49 1SG1287 ATOM? 287 OBI GLN 157 21,154 50,709 -33,851 1.00 0.49 1SG1288 ÁTOMO 1288 NE2 GLN 157 21,358 48.S47 -33,180 1.00 0.49 1SG1289 ? TCMO 1289 C GLH 157 20,571 52,382 -29,842 1.00 0.49 1SG1290 TCMO 1290 OR GLN 157 21,157 53,433 -30,097 1.00 0.49 1SG1291 ATOMO 1291 N LEO 158 19,769 52,242 -28,769 1.00 0.41 1SG1292 ATOM 1292 C? LEO 158 19,383 53,372 -27,974 1.00 0.41 1SG1293 ATOM 1293 CB LEO 158 18,139 53,117 -27,106 1.00 0.41 1SG1294 ATOM 1294 CG LEO 158 16,869 52,845 -27,933 1.00 0.41 1SG129S ATOMO 1295 CD2 LEO 158 17,020 51.S71 -28,782 1.00 0.41 1SG1296 TCMO 1296 CDl LEO 158 16,466 S4,076 -28,762 1.00 0.41 1SG1297? TOMO 1297 C LEO 158 20,476 53,827 -27,067 1.00 0.41 1SG1298 ATOMO 1298 OR LEO 158 21,433 53,107 -26,787 1.00 0.41 1SG1299 ATOM 1299 H ASP 159 20,333 55,089 -26,610 1.00 0.19 1SG1300 ATCMO 1300 CA ASP 159 21,230 55,721 -25,689 1.00 0.19 1SG1301 ATCMO 1301 CB ASP 159 21,643 57,142 -26,138 1.00 0.19 1SG1302 ATOM 1302 CG ASP 159 22,711 57,750 -25,227 1.00 0.19 1SG1303 TCMO 1303 001? SP 159 22,869 57,289 -24,067 1.00 0.19 1SG1304 TCMO 1304 OD2? SP 159 23,385 58,706 -25,697 1.00 0.19 1SG1305 ATOM 1305 C? SP 159 20,460 5S. B50 -24.413 1.00 0.19 13G1306 ATOM 1306 O? SP 159 19,280 56,200 -24,424 1.00 0.19 13G1307 ? VOLUME 1307 H TYR 160 21,100 55,535 -23,272 1.00 0.11 1SG1308 TOMO 1308 C? TYR 160 20.407 55.630 -22.022 1.00 0.11 1SG1309 ATOM 1309 CB TYR 160 20,273 54,289 -21,280 1.00 0.11 1SG1310 ATOMO 1310 CG TYR 160 19.308 53.437 -22.031 1.00 0.11 1SG1311 ATCMO 1311 CDl TYR 160 19,672 52,822 -23,207 1.00 0.11 1SG1312 ATOM 1312 CD2 TYR 160 18,036 53,241 -21,545 1.00 0.11 1SG13 3 ATOM 1313 CEI TYR 160 l.776 52,036 -23,892 1.00 0.11 1SG1314 ATOM 1314 CE2 TYR 160 17,135 52,456 -22,225 1.00 0.11 1SG1315 ATOM 1315 CZ TYR 160 17.506 51.852 -23.402 1.00 0.11 13G1316 ATOM 1316 OH TYR 160 16,587 51,045 -24,106 1.00 0.11 1SG1317 ATOM 1317 C TYR 160 21,173 56,539 -21,122 1.00 0.11 1SG1318 ATOM 1318 OR TYR 160 22,366 56,770 -21,316 1.00 0.11 1SG1319 TCMO 1319 H GLU 161 20,472 57,112 -20,124 1.00 0.12 1SG1320 ATOM 1320 C? GLU 161 21,125 57,944 -19,159 1.00 0.12 1SG1321 ? TOMO 1321 CB GLO 161 20,623 59,399 -19,119 1.00 0.12 1SG1322 TCMO 1322 CG GLO 161 21,484 60,299 -18,228 1.00 0.12 1SG1323 ATOM 1323 CD GLO 161 21,015 61,741 -18,382 1.00 0.12 1SG1324 ? TOMO 1324 OBI GLU 161 19,816 62,015 -18,112 1.00 0.12 1SG1325 ATOM 1325 OE2 GLU 161 21,860 62 .592 -18,773 1.00 0.12 1SG1326 ATOMO 1326 C GLO 161 20,870 57,327 -17,824 1.00 0.12 1SG1327 TOMO 1327 0 GLO 161 19,815 56,739 -17,589 1.00 0.12 1SG1328 ATCMO 1328 H SER 162 21,860 57,419 -16,919 1.00 0.11 1SG1329 ATCMO 1329 CA SER 162 21,729 56,834 -15,619 1.00 0.11 1SG1330 ATOM ° 1330 CB SER 162 23,065 56,348 -15,030 1.00 0.11 1SG1331 ATOMO 1331 OG SER 162 22.857 55.774 -13.748 1.00 0.11 1SG1332 ATOMO 1332 C SER 162 21,172 57,852 -14,688 1.00 0.11 1SG1333 ATOM 1333 OR SER 162 21,083 59,035 -15,012 1.00 0.11 1SG1334 ÁTOMO 1334 H GLU 163 20,754 57,391 -13,495 1.00 0.13 1SG1335 ? TOMO 1335 C? GLU 163 20.24S 58.279 -12.496 1.00 0.13 1SG1336 ATOM 1336 CB GLO 163 19,399 57,559 -11,433 1.00 0.13 1SG1337 TCMO 1337 CG GLU 163 20,166 56,464 -10,691 1.00 0.13 1SG1338 ? TOMO 1338 CD GLO 163 19,148 55,604 -9,957 1.00 0.13 1SG1339 ATOM 1339 OBI GLU 163 lff.185 55,142 -10,626 1.00 0.13 1SG1340 ÁTOMO 1340 OE2 GLO 163 19,315 55,396 -8,726 1.00 0.13 1SG1341 ÁTOMO 1341 C GLU 163 21,427 S8,899 -11,832 1.00 0.13 13G1342 ÁTOMO 1342 O GLU 163 22,501 58,306 -11,741 1.00 0.13 1SG1343 ATOM 1343 H PRO 164 21,247 60,108 -11,395 1.00 0.13 1SG1344 ATOMO 1344 C? PRO 164 22,340 60,787 -10,760 1.00 0.13 1SG1345 ATOM 1345 CD PRO 164 20,412 61,023 -12,159 1.00 0.13 1SG1346 ATOM 1346 CB PRO 164 21,993 62,271 -10,814 1.00 0.13 1SG1347 TCMO 1347 CG PRO 164 21,098 62,393 -12,057 1.00 0.13 1SG134B ? TCMO 1348 C PRO 164 22,582 60,282 -9,378 1.00 0.13 1SGX349 ? TOMO 1349 OR PRO 164 21.649 59.793 -8.745 1.00 0.13 1SG1350 ATOMO 1350 H LEO 165 23,838 60,371 -8,902 1.00 0.11 1SG1351 TCMO 1351 C? LEO 165 24,145 59,970 -7,563 1.00 0.11 1SG13S2 ATCMO 1352 CB LEO 165 25,043 58,726 -7,474 1.00 0.11 1SG1353 ATOM 1353 CG LEO 165 24,393 57,464 -8,071 1.00 0.11 1SG1354 ATOM 1354 CD2 LEO 165 22,957 57,275 -7,560 1.00 0.11 1SG13S5 ATOM 1355 CDl LEO 165 25,276 56,226 -7,849 1.00 0.11 1SG1356 ATOM 1356 C LEO 165 24.887 61,114 -6.959 1.00 0.11 1SG1357 ATCMO 1357 OR LEO 165 25,628 61,811 -7,650 1.00 0.11 1SGÍ3SB ATOM 1358 N ASH 166 24,696 61,358 -5,650 1.00 0.10 1SG1359 ATOMO 1359 C? ASN 166 25,384 62,468 -5,065 1.00 0.10 1SG1360 ATOMO 1360 CB ASH 166 24,587 63,214 -3,980 1.00 0.10 1SG1361 ATOM 1361 CG ASH 166 23,476 64,012 -4,647 1.00 0.10 1SG1362 ATOM 1362 OD1 ASN 166 23,226 63,888 -5,845 1.00 0.10 1SG1363 ? TOMO 1363 HD2? SN 166 22,794 64,872 -3,846 1.00 0.10 1SG1364 ? TOMO 1364 C? SH 166 26,621 61,954 -4,414 1.00 0.10 1SG1365 ATCMO 1365 O? SH 166 26,569 61,093 -3,537 1.00 0.10 1SG1366 ÁTOMO 1366 H XLE 167 27,780 62,472 -4.857 1.00 0.22 1SG1367 ATOM 1367 C? XLE 167 29,021 62,087 -4,261 1.00 0.22 1SG1368 ATOM 1368 CB XLE 167 30,024 61,566 -5,249 1.00 0.22 1SG1369 ATCMO 1369 CG2 XLE 167 31,364 61,380 -4,515 1.00 0.22 1SG1370 ÁTOMO 1370 CGl XLE 167 29,500 60,285 -5,918 1.00 0.22 1SG1371 ATOMO 1371 CDl ILE 167 30,315 59,855 -7,138 1.00 0.22 1SG1372 ATOMO 1372 C ILE 167 29,588 63,326 -3,662 1.00 0.22 1SG1373 ÁTOMO 1373 0 XLE 167 29,637 64,372 -4,306 1.00 0.22 1SG1374 ? TOMO 1374 N THR 168 30,016 63,251 -2,391 1.00 0.48 1SG1375 TOMO 1375 C? THR 168 30,555 64,431 -1,790 1.00 0.48 1SG1376 ATOM 1376 CB THR 168 29.789 64.932 -0.603 1.00 0.48 1SG1377 ATOMO 1377 OG1 THR 168 29,672 63,906 0.372 1.00 0.48 1SG137B ATOMO 1378 CG2 THR 168 28,411 65,422 -1,054 1.00 0.48 1SG1379 ATOM 1379 C THR 168 31,917 64,138 -1,288 1.00 0.48 1SG1380 ATCMO 1380 0 THR 168 32,229 63,015 -0,894 1.00 0.48 1SG1381 TCMO 1381 H VAL 169 32,784 65,163 -1,315 1.00 0.55 1SG1382 TCMO 1382 C? VAL 169 34,061 64,960 -0,722 1.00 0.5S 1SG1383 ? TOMO 1383 CB VAL 169 35,186 65,749 -1,338 1.00 0.55 1SG1384 TCMO 1384 CGl VAL 169 35,366 65,272 -2,785 1.00 0.55 1SG1385 ATOMO 1385 CG2 VAL 169 34.903 67.254 -1.220 1.00 0.55 1SG1386 ? TCMO 1386 C VAL 169 33,871 65,395 0.689 1.00 0.55 1SG1387 ATOMO 1387 OR VAL 169 33.425 66.509 0.960 1.00 0.55 1SG1388 ATOMO 1388 N ILE 170 34,178 64,492 1,631 1.00 0.56 1SG1389 ATOMO 1389 C? ILE 170 33,974 64,776 3,017 1.00 0.56 1SG1390 ATOM 1390 CB XLE 170 34,332 63,609 3,909 1.00 0.S6 1SG1391 ATOM 1391 CG2 XLE 170 35,849 63,375 3,822 1.00 0.S6 1SG1392 ATOM 1392 CGl XLE 170 33,816 63,807 5,348 1.00 0.56 1SG1393 ATOM 1393 CDl ILB 170 34,469 64,961 6,108 1.00 0.56 1SG1394 ? TOMO 1394 C XLE 170 34,831 65,949 3,356 1.00 0.56 1SG1395 ATOMO 1395 0 ILE 170 34,414 66,833 4,103 1.00 0.56 1SG1396 ATOM 1396 N LYS 171 36,052 65,993 2,792 1.00 0.52 1SG1397 ATCMO 1397 C? LYS 171 36,958 67,069 3,063 1.00 0.52 1SG139B? TOMO 1398 CB LYS 171 38,241 66,953 2,216 1.00 0.52 1SG1399 ATOM 1399 CG LYS 171 39,411 67,838 2,650 1.00 0.52 1SG1400 ATOM 1400 CD LYS 171 39,151 69,334 2,515 1.00 0.52 1SG1401 ATOM 1401 CE LYS 171 40,396 70,193 2,745 1.00 0.52 1SG1402 ATOM 1402 HZ LYS 171 40,985 69,879 4,064 1.00 0.52 1SG1403 ATOM 1403 C LYS 171 36,237 68,329 2,704 1.00 0.52 1SG1404 ATOM 1404 OR LYS 171 35,772 68,490 1,578 1.00 0.52 1SG1405 ÁTOMO 1405 H ALA 172 36,106 69,253 3,677 1.00 0.31 1SG1406 ATOM 1406 C? ALA 172 35,369 70,457 3,427 1.00 0.31 1SG1407 ? TOMO 1407 CB ALA 172 34,326 70,764 4,515 1.00 0.31 1SG1408 ATCMO 1408 C ALA 172 36.321 71.645 3.385 1.00 0.31 1SG1409 ATOM 1409 0 ALA 172 35,863 72,767 3,726 1.00 0.31 1SG1410 ÁTOMO 1410 OXT ALA 172 37.507 71.460 3.008 1.00 0.31 1SG1411 rxw TABLE 4 COMBK &RXO Model of Saaro * dai Receiver X -fee-Lloa Pe »V.C. Bpe, 08/28/98.

ATOM 1 H VAL? 1 35,035 67,423 -3,312 1.00 0.14 N1 + ATOMO 2 CA VAL? 1 36,312 67,082 -2,644 1.00 0.14 c TOMO 3 C VAL? 1 36,557 67,737 -1,314 1.00 0.14 c ATOM 4 OR VAL? 1 37.357 67.213 -0.542 1.00 0.14 or ATCMO 5 CB VAL? 1 37,484 67,327 -3,566 1.00 0.14 c ATOM 6 CGl VAL? 1 37,364 66,351 -4,747 1.00 0.14 c ATOM 7 CG2 VAL? 1 37,528 68,799 -4,005 1.00 0.14 c ATCMO 8 1H VAL A 1 34.869 66.862 -4.138 1.00 0.00 H ATCMO 9 2H VAL? 1 34,241 67,268 -2,703 1.00 0.00 H TCMO 10 3H VAL? 1 34,995 68,390 -3.602 1.00 0.00 H ÁTOMO 11 HAS VAL A 1 36.235 66.006 -2.400 1.00 0.00 H ATOM. 12 HB VAL A 1 38.411 67.089 -3.011 1.00 0.00 H ATOM 13 13HG1 VAL? 1 38,229 66,431 -5,429 1.00 0.00 H ATOMO 14 2HG1 VAL? 1 37.326 65.302 -4.406 1.00 0.00 H ÁTOMO 15 3HG1 VAL A 1 36,463 66,547 -5,351 1.00 0.00 H ÁTOMO 16 1HG2 VAL A 1 38.228 68.883 -4.860 1.00 0.00 H ATOMO 17 2HG2 VAL? 1 36,576 69,170 -4,412 1.00 0.00 H ATOMO 18 3HG2 VAL? 1 38.001 69.445 -3.249 1.00 0.00 H ATCMO 19 H PRO A 2 35.933 68.836 -0.959 1.00 0.15 N ATOMO 20 C? PRO A 2 36,195 69,325 0.363 1.00 0.15 c ATOMO 21 c PRO? 2 35,493 68,456 1,350 1.00 0.15 C ATOM 22 or PRO? 2 34,546 67,769 0.973 1.00 0.15 O ATOMO 23 CB PRO? 2 35,731 70,778 0.391 1.00 0.15 c ATOMO 24 CG PRO? 2 35.897 71.231 -1.067 1.00 0.15 c ATOMO 25 CD PRO? 2 35,709 69,942 -1.884 1.00 0.15 c TOMO 26 HA PRO? 2 37.285 69.336 0.S58 1.00 0.00 H ATOMO 27 1HB PRO? 2 36,304 71,370 1,118 1.00 0.00 H ATOMO 28 2HB PRO? 2 34,669 70,840 0.677 1.00 0.00 H ATCMO 29 1HG PRO? 2 36.917 71.626 -1.212 1.00 0.00 H TOMO 30 2HG PRO? 2 35,203 72,033 -1,366 1.00 0.00 H ATOM 31 1HD PRO? 2 34,667 69,886 -2,239 1.00 0.00 H ATOM 32 32 HD PRO? 2 36,339 70,042 -2,732 1.00 0.00 H ATCMO 33 H GLN? 3 35,941 68,473 2,617 1.00 0.19 N TCMO 34 C? GLN? 3 35,329 67,651 3,614 1.00 0.19 c ÁTOMO 35 c GLN? 3 33.901 68.073 3.703 1.00 0.19 C ATOM 36 or GLN? 3 33,553 69,196 3,339 1.00 0.19 O ATOM 37 CB GLN? 3 35.986 67.803 4.996 1.00 0.19 c ATOMO 38 CG GLN? 3 35,493 66,802 6,040 1.00 0.19 c ATOM 39 CD GLN? 3 36,327 67,022 7.293 1.00 0.19 c ATOMO 40 OEl GLN? 3 36,930 68,079 7,467 1.00 0.19 or ATOM 41 HE2 GLN? 3 36,374 65,997 8,185 1.00 0.19 N ATOMO 42 H GLN A 3 36,686 69,083 2,909 1.00 0.00 H ? TOMO 43 HA GLN A 3 35.401 66.596 3.289 1.00 0.00 H ? TOMO 44 1HB GLN A 3 35.828 68.836 5.351 l.OO 0.00 H ÁTOMO 45 2HB GLN A 3 37,076 67,663 4,874 1.00 0.00 H ÁTOMO 46 1HG GLN? 3 35,596 65,769 5,669 1.00 0.00 H ÁTOMO 47 2HG GLN? 3 34,444 66,987 6,303 1.00 0.00 H TOMO 48 1HB2 GLN? 3 36,281 65,050 7,857 1.00 0.00 H ATOMO 49 2HB2 GLN? 3 37,049 66,168 8,921 1.00 0.00 H ATOM 50 N LYS? 4 33,024 67,165 4,172 1.00 0.23 N ATOMO 51 C? LYS? 4 31,626 67,476 4,219 1.00 0.23 C ATOMO 52 C LYS? 4 31,282 67,937 5,594 1.00 0.23 C TOMO 53 or LYS? 4 31,667 67,348 6,603 1.00 0.23 0 ATOM 54 CB LYS? 4 30,722 66,273 3,904 1.00 0.23 c ? TCMO 55 CG LYS? 4 30,861 65,765 2,467 1.00 0.23 c ATOMO 56 CD LYS? 4 30,229 64,389 2,241 1.00 0.23 c ATCMO S7 CE LYS? 4 31,032 63,242 2,856 1.00 0.23 c ATOM 58 HZ LYS? 4 30,320 61,959 2,659 1.00 0.23 N1 + ATOMO 59 H LYS.? 4 33,282 66,218 4,377 1.00 0.00 H ATOMO 60 HA LYS? 4 31,442 68,204 3,416 1.00 0.00 H ATOMO 61 1HB LYS? 4 29,665 66,523 4,096 1.00 0.00 H ATOMO 62 2HB LYS? 4 30.952 65.46B 4.623 1.00 0.00 H ATOMO 63 1HG LYS? 4 31,919 65,737 2,150 1.00 0.00 H ATOM 64 64 LYS? 4 _.30.360 66.486 1.801 1.00 0.00 H ATOMO 65 1HD LYS? 4 30,132 64,216 1,154 1.00 0.00 H ATOM 66 66HD LYS? 4 29.200 64.402 2.64S 1.00 0.00 H ATOMO 67 1HE LYS? 4 31,168 63,364 3,942 1.00 0.00 H ATOMO 68 2HE LYS? 4 32,027 63,149 2,391 1.00 0.00 H ATOM 69 1HZ LYS? 4 30,819 61,167 3,042 1.00 0.00 H I TAKE 70 2HZ LYS? 4 29,420 61,981 3,134 1.00 0.00 H I TAKE 71 3HZ LYS? 4 30,140 61,756 1.6BS 1.00 0.00 H? TOMO 72 H PRO? 5 30,550 69,013 5,616 1.00 0.25 H ATOM 73 C? PRO? 5 30.108 69.615 6.840 1.00 0.25 c ATOMO 74 c PRO? 5 29,273 68,587 7,522 1.00 0.25 c ? TCMO 75 0 PRO A 5 28,730 67,719 6,839 1.00 0.25 or ATOMO 76 CB PRO? 5 29,231 70,784 6,411 1.00 0.25 c ATOMO 77 CG PRO? 5 28,592 70,257 5,112 1.00 0.25 c ATOMO 78 CD PRO? 5 29,678 69,350 4,507 1.00 0.25 c ATOMO 79 HA PRO? 5 30,972 69,906 7,456 1.00 0.00 H ATOM 80 1HB PRO? 5 29,730 71,743 6,357 1.00 0.00 H ATOMO 81 2HB PRO? 5 28,453 70,955 7,178 1.00 0.00 H ATOMO 82 1HG PRO? 5 28,174 70,972 4,412 1.00 0.00 H ATOM 83 83 2HG PRO? 5 27,910 69,522 5.421 1.00 0.00 H TCMO 84 1HD PRO? 5 29,236 6B .469 4,044 1.00 0.00 H ATOM 85 2HD PRO? 5 30,320 69,821 3,774 1.00 0.00 H ATOMO 86 H LYS? 6 29,172 68,639 8,861 1.00 0.35 N ATOMO 87 C? LYS? 6 28,336 67,685 9,520 1.00 0.35 C ATOMO 88 c LYS A 6 27,209 68,437 10,136 1.00 0.35 c ATOMO 89 or LYS A 6 27,391 69,533 10,666 1.00 0.35 0 ATOMO 90 CB LYS A 6 29,033 66,897 10,641 1.00 0.35 c ÁTOMO 91 CG LYS A 6 30,016 65,843 10,127 1.00 0.35 c ATOM 92 CD LYS A 6 31,243 66,430 9,427 1.00 0.35 c ATOMO 93 CE LYS? 6 32,218 65,365 8,920 1.00 0.35 c ATOM 94 NZ LYS? 6 33,370 66,010 8,253 1.00 0.35 N1 + ATCMO 95 H LYS? 6 29,530 69,396 9,434 1.00 0.00 H TOMO 96 HA LYS? 6 27,947 66,943 8,805 1.00 0.00 H ÁTOMO 97 1HB LYS A 6 28.241 66.394 11.226 1.00 0.00 H ÁTOMO 98 2HB LYS A 6 29,641 67,443 11,336 1.00 0.00 H ÁTOMO 99 1HG LYS A 6 29,498 65,154 9,434 1.00 0.00 B? TOMO 100 2HG LYS A 6 30,343 65,221 10,981 1.00 0.00 H ATOMO 101 1HD LYS A 6 31.763 67.118 10.116 1.00 0.00 H ÁTOMO 102 2HD LYS A 6 30,880 67,022 8,600 1.00 0.00 H ÁTOMO 103 1HE LYS A 6 31,740 64,699 8.183 1.00 0.00 H TCMO 104 2HE LYS A 6 32,610 64,746 9,743 1.00 0.00 H ATOMO 105 1HZ LYS A 6 33.989 65.352 7.805 1.00 0.00 H ÁTOMO 106 2HZ LYS A 6 33,032 66,644 7,532 1.00 0.00 H ATOMO 107 3HZ LYS A 6 33.939 66.555 8.889 1.00 0.00 H ATOMO 108 N VAL A 7 25,995 67,867 10,051 1.00 0.35 N ATCMO 109 C? VAL? 7 24,871 6B .517 10,651 1.00 0.35 C ATOMO 110 c VAL A 7 24,592 67,792 11,922 1.00 0.35 C ATOM 111 or VAL A 7 24,524 66,564 11,950 1.00 0.35 O TCMO 112 CB VAL? 7 23,627 68,483 9,806 1.00 0.35 C ATOMO 113 CGl VAL? 7 23,210 67,019 9,585 1.00 0.35 c ATOMO 114 CG2 VAL? 7 22,552 69,335 10,499 1.00 0.35 c ÁTOMO 115 H VAL A 7 25,821 66,977 9,615 1.00 0.00 H ÁTOMO 116 HA VAL A 7 25,120 69.57S 10,831 1.00 0.00 H ATOMO 117 HB VAL? 7 23,863 68,941 8,827 1.00 0.00 H ATOMO 118 1HG1 VAL? 7 22,471 66.96S 8,765 1.00 0.00 B ATONO 119 2HG1 VAL? 7 24,031 66,350 9,285 1.00 0.00 H ÁTOMO 120 3HG1 VAL? 7 22,693 66,586 10,456 1.00 0.00 B ATOMO 121 1HG2 VAL A 7 21,678 69,500 9,847 1.00 0.00 B ÁTOMO 122 2BG2 VAL A 7 22,176 68,844 11,412 1.00 0.00 B? TOMO 123 3HG2 VAL A 7 22,944 70,315 10,791 1.00 0.00 H? VOLUME 124 H SER? 8 24,448 68,548 13,023 1.00 0.17 N ATOM 125 C? BE ? 8 24,199 67,929 14,287 1.00 0.17 C ATOMO 126 C SER? 8 22.807 68.274 14.689 1.00 0.17 c ATOMO 127 OR BE? 8 22,347 69,396 14,481 1.00 0.17 or ATOM 128 CB SER? 8 25,131 68,420 15,407 1.00 0.17 c ATOMO 129 OG SER? 8 24,819 67,761 16,625 1.00 0.17 or ATOMO 130 H BE. 8 24,612 69,550 13,018 1.00 0.00 B ATOMO 131 HAS TO BE? 8 24,337 66,838 14,216 1.00 0.00 H ATCMO 132 1HB SER? 8 25,070 69,509 15,536 1.00 0.00 a ATOMO 133 2HB SER? 8 26,175 68,173 15,162 1.00 0.00 B? TOMO 134 HG SER? 8 24,240 68,346 17,142 1.00 0.00 B ATOMO 135 N LEO? 9. 22,092 67,295 15,268 1.00 0.11 N ATOM 136 C? LEO? 9 20,747 67,539 15,682 1.00 0.11 c TOMO 137 C LEO? 9 20,696 67,369 17,116 1.00 0.11 C ATOMO 138 OR LEU? 9 21,139 66,354 17,700 1.00 0.11 or ATOMO 139 CB LEU? 9 19,749 66,532 15,080 1.00 0.11 C ATOMO 140 CG LEU? 9 18,287 66,745 15,512 1.00 0.11 c ATOMO 141 CDl LEO? 9 17,732 68,081 14.988 1.00 0.11 c ATOMO 142 CD2 LEO? 9 17.418 65.542 15.111 1.00 0.11 c ATOM 143 B LEO? 9 22,476 66,399 15,518 1.00 0.00 ATOMO 144 HAS LEO? 9 20,438 68.S49 15,382 1.00 0.00 R ATOMO 145 1HB LEO? 9 20,066 65,510 15,354 1.00 0.00 H ATOMO 146 2HB LEO? 9 19,815 66,582 13,978 1.00 0.00 H ATOMO 147 BG LEO? 9 18,324 66,981 16,546 1.00 0.00 B ATOMO 148 1BD1 LEO? 9 16,651 68,121 15,191 1.00 0.00 B ATOMO 149 2BD1 LEO? 9 18,211 68,929 15,488 1.00 0.00 B ATOM 150 3BD1 LEO? 9 17,848 68,122 13,899 1.00 0.00 H ATCMO 151 1HD2 LEO? 9 16,368 65,690 15,400 1.00 0.00 B ÁTOMO 152 2HD2 LEU? 9 17,440 65,417 14,015 1.00 0.00 H ATOM 153 3HD2 LEU? 9 17,775 64,610 15,558 1.00 0.00 H ATOM. 154 N ASN A 10 20,176 68,388 17,872 1.00 0.17 H ATON 155 CA ASN? 10 20,046 68,267 19,291 1.00 0.17 C ATCMO 156 C ASN A 10 18,653 68,686 19,623 1.00 0.17 C ATOM 157 OR ASN? 10 18,240 69,797 19,295 1.00 0.17 O ATOMO 158 CB? SH? 10 20,992 69,194 20,070 1.00 0.17 C ATOM 159 CG ASN? 10 22,415 68,721 19,819 1.00 0.17 C ATOM 160 OD1 ASN? 10 23,167 69,361 19,086 1.00 0.17 or ATOM 161 ND2 ASN? 10 22,798 67,574 20,443 1.00 0.17 N ATCMO 162 B? SN A 10 19,900 69,270 17,449 1.00 0.00 H ATOM 163 HAS ASN? 10 20,331 67,257 19,576 1.00 0.00 B ÁTOMO 164 1HB? SN? 10 20,746 69,138 21,144 1.00 0.00 B ATOM 165 2BB? SH? 10 20.917 70.239 19.756 1.00 0.00 H ATOMO 166 1BD2? SH? 10 22,193 67,061 21,052 1.00 0.00 H ÁTOMO 167 2HD2 ASN A 10 23,732 67,251 20,255 1.00 0.00 H ATOMO 168 N PRO A 11 17,897 67,828 20,245 1.00 0.3S N ATOMO 169 C? PRO? 11 18,370 66,510 20,559 1.00 0.35 C ATOMO 170 C PRO? 11 18.404 65.700 19.305 1.00 0.35 C ATOMO 171 0 PRO? 11 17,867 66,139 18,290 1.00 0.35 0 ATOM 172 CB PRO? 11 17.403 65.958 21.604 1.00 0.35 C ? TOMO 173 CG PRO? 11 16,865 67,215 22.308 1.00 0.35 c ATOM 174 CD PRO? 11 16,938 68,307 21,228 1.00 0.35 c ATOM 175 B? PRO? 11 19,324 66,603 21.103 1.00 0.00 K ATOMO 176 1HB PRO? 11 17,862 65,215 22,273 1.00 0.00 H ATCMO 177 2BB PRO? 11 16,571 65,464 21,082 1.00 0.00 H ? TCMO 178 1BG PRO? 11 17,522 67,473 23,155 1.00 0.00 H ATCMO 179 2BG PRO A 11 15,851 67,097 22,721 1.00 0.00 H ATOMO 180 1BD PRO A 11 15.961 68.435 20.733 1.00 0.00 H ATOMO 181 2BD PRO A 11 17.234 69.288 21.626 1.00 0.00 B ATOMO 182 H PRO A 12 19,030 64,557 19,364 1.00 0.52 H ATOMO 183 C? PRO? 12 19,156 63,710 18,209 1.00 0.52 C ATOMO 184 C PRO A 12 17.853 63.101 17.809 1.00 0.52 C ATOMO 185 OR PRO A 12 17.789 62.501 16.737 1.00 0.52 O TCMO 186 CB PRO A 12 20,215 62,672 18,568 1.00 0.52 c TCMO 187 CG PRO A 12 21,088 63,386 19,613 1.00 0.52 c ATCMO 188 CD PRO? 12 20,128 64,371 20,299 1.00 0.52 c ATCMO 189 B? PRO? 12 19,493 64,305 17,344 1.00 0.00 H ATOMO 190 1HB PRO? 12 20,766 62,306 17,688 1.00 0.00 B? TOMO 1912HB PRO? 12 19,733 61,793 19,029 1.00 0.00 H ATCMO 192 1HG PRO? 12 21,889 63,941 19,096 1.00 0.00 H ATOM 193 2BG PRO? 12 21,583 62,706 20,323 1.00 0.00 H ATOMO 194 1HD PRO? 12 19.742 63; 953 21.242 1.00 0.00 H ÁTOMO 195 2HD PRO A 12 20,663 65,299 20,521 1.00 0.00 H ATOMO 196 H TRP A 13 16.809 63.231 18.646 1.00 0.35 H ATOMO 197 C? TRP A 13 15,559 62,588 18,359 1.00 0.35 C ATOMO 198 C TRP A 13 15.107 63.016 16.998 1.00 0.35 C ATOM 199 OR TRP? 13 14.934 64.204 16.731 1.00 0.35 0 ATOM 200 CB TRP? 13 14,454 62,959 19,361 1.00 0.35 C ATOMO 201 CG TRP.A 13 14,839 62,683 20,795 1.00 0.35 c ATOM 202 CDl TRP A 13 14.961 63.559 21.833 1.00 0.35 c ATOMO 203 CD2 TRP? 13 15,219 61,396 21,302 1.00 0.35 c ATOMO 204 NEI TRP? 13 15,382 62,897 22,961 1.00 0.35 N ATCMO 205 CE2 TRP A 13 15,549 61,564 22,647 1.00 0.35 c ATCMO 206 CE3 TRP A 13. .15.297 60.175 20.695 1.00 0.35 c ATCMO 207 CZ2 TRP A 13 15,962 60,510 23.408 1.00 0.35 c ATOM 208 CZ3 TRP A 13 15.707 59.110 21.468 1.00 0.35 c ATOMUM 209 CH2 TRP A 13 16,031 59,276 22,798 1.00 0.35 c ÁTOMO 210 H TRP A 13 16.881 63.779 19.484 1.00 0.00 H ÁTOMO 211 HA TRP A 13 15,723 61,498 18,375 1.00 0.00 H ÁTOMO 212 1HB TRP A 13 13.S43 62.407 19.077 1.00 0.00 H ATOM 2132HB TRP A 13 14,206 64,025 19,251 1.00 0.00 ATOM 214 HD1 TRP? 13 14.739 64.617 21.844 1.00 0.00 H ATOM 21S HE1 TRP? 13 15.809 63.343 23.741 1.00 0.00 B ATOM 216 HE3 TRP? 13 15,045 60,031 19,655 1.00 0.00 B ATOM 217 HZ2 TRP? 13 16,229 60,748 24. 420 1.00 0.00 B ATOM 218 HZ3 TRP? 13 15.79S 58 .114 21.062 1.00 0.00 B ATOM 219 HH2 TRP? 13 16,099 58,366 23,378 1.00 0.00 B ATOM 220 N? SN? 14 14.933 62.037 16.085 1.00 0.15 N ATOMO 221 CA? SN? 14 14,506 62,327 14,747 1.00 0.15 c ATOM 222 C? SN? 14 13.076 62.7S8 14.777 1.00 0.15 c ATOM 223 O? SN? 14 12. 681 63,681 14,064 1.00 0.15 0 ÁTOMO 224 CB? SN A 14 14. 605 61.127 13.785 1.00 0.15 c ATOM 225 CG ASN? 14 13.58B 60.064 14. 181 1.00 0.15 c ATOM 226 OD1 ASN? 14 13. 408 59,751 15,357 1.00 0.15 0 ATOM 227 RD2? SN? 14 12,882 59,499 13,165 1.00 0.15 N ATOMO 228 H? SN? 14 15. 126 61,062 16,292 1.00 0.00 B ATOM 229 H? SN? 14 15. 111 63,154 14 .342 1.00 0.00 B ATOM 230 1BB? SN? 14 15.612 60.678 13.806 1.00 0.00 B ÁTOMO 231 2HB ASN A 14 14,421 61,501 12,763 1.00 0.00 H ATOMO 232 1HD2 ASN? 14 12,990 59,778 12,202 1.00 0.00 H ATOM 233 2HD2? SN? 14 12,220 58,777 13,379 1.00 0.00 H ATOMUM 234 H ARG A 15 12,257 62,093 15. 615 1.00 0.13 N ATCMO 235 C? ARG A 15 10,859 62,400 15,668 1.00 0.13 c ATCMO 236 c ARG? 15 10,645 63,247 16,872 1.00 0.13 c ATCMO 237 0 ARG A 15 11,086 62,908 17,969 1.00 0.13 or ATCMO 238 CB ARG? 15 9,961 61,164 15,860 1.00 0.13 c ATOM 239 CG ARG? 15 9,990 60,171 14,698 1.00 0.13 c TOMO 240 CD ARG? 15 9,087 58,956 14.925 1.00 0.13 c TOMO 241 HE ARG A 15 9.233 58.061 13.742 1.00 0.13 N1 + ATCMO 242 CZ ARG? 15 8.137 57.682 13.023 1.00 0.13 C ATOM 243 NB1 ARG A 15 6. 892 58 .097 13,396 1.00 0.13 N ATOMO 244 NH2 ARG A 15 8 .289 56.882 11.926 1.00 0.13 H ATCMO 245 H ARG? 15 12,592 61,259 16,078 1.00 0.00 H ATOMO 246 H? ARG? 15 10,563 62,903 14,736 1.00 0.00 B ATOMO 247 1HB ARG A 15 8 .996 61,516 16,214 1.00 0.00 H ÁTOMO 248 2HB ARG A 15 10,355 60,612 16,738 1.00 0.00 H ATOMO 249 1HG ARG A 15 11. 007 59.776 14 .648 1.00 0.00 B ATOMO 2S0 2HG? RG? 15 9.785 60.645 13.726 1.00 0.00 H ATOMO 251 1HD? RG? 15 8. 048 59,228 15,153 1.00 0.00 H TCMO 252 2HD? RG A ÍS 9. 4S9 58.433 15.807 1.00 0.00 H ÁTOMO 253 HE ARG A 15 9. 923 57,342 13,749 1.00 0.00 H ÁTOMO 254 1HH1 ARG A 15 6.719 58.668 14. 192 1.00 0.00 H ÁTOMO 255 2HH1 ARG? 15 6.069 57.748 12 .956 1.00 0.00 B TCMO 256 1HH2? RG? 15 7.535 56.853 11.277 1.00 0.00 B ATOM 257 2HH2 ARG? 15 9. 189 56.912 11.491 1.00 0.00 B ATCMO 258 N XLE A 16 9. 959 64,390 16,699 1.00 0.12 H ATOM 259 C? ILE A 16 9.719 65.221 17.838 1.00 0.12 C ÁTOMO 260 c ILB A 16 8 .300 65,668 17,781 1.00 0.12 c ATCMO 261 0 ILE A 16 7,583 65,394 16,820 1.00 0.12 or ATOMO 262 CB XLE? 16 10,558 66,467 17,883 1.00 0.12 c ATOM 263 CGl XLB? 16 10,236 67,383 16,690 1.00 0.12 c ATOM 264 CG2 ILB? 16 12 .035 66,048 17,972 1.00 0.12 c ATCMO 265 CDl ILB? 16 10.816 68.789 16.840 1.00 0.12 c TOMO 266 H ILE? 16 9.590 64.694 15.804 1.00 0.00 B ATOM 267 H? ILB? 16 9.806 64.637 18 .761 1.00 0.00 H ATCMO 268 HB XLE? 16 10,323 67,011 18 .816 1.00 0.00 H ATCMO 269 1HG1 ILB? 16 9,151 67,494 16,527 1.00 0.00 B ATOM 270 2BG1 XLB? 16 10,633 66,927 15,766 1.00 0.00 H ATCMO 271 1BG2 XLE? 16 12,707 66,907 18,128 1.00 0.00 H ATCMO 272 2HG2 ILE.A 16 12 .205 65.359 18 .814 1.00 0.00 H ATCMO 273 3HG2 XLE A 16 12 .376 65,543 17,052 1.00 0.00 H ÁTOMO 274 1BD1 XLE A 16 10,934 69,273 15,860 1.00 0.00 B ÁTOMO 275 2BD1 ILE A 16 10. 156 69.429 17.440 1.00 O.00 B ÁTOMO 276 3HD1 ILE A 16 11.792 68.758 17 .336 1. 00 0.00 H ATCMO 277 N PHB A 17 - 7. 862 66,360 18,848 1.00 0.17 H ATCMO 278 C? PHE A 17 6.527 66.870 18.904 1.00 0.17 C ATCMO 279 c PHB A 17 6,595 68 .309 18 .543 1. 00 0.17 C ATOMO 280 or PHE A 17 7. 645 68.943 18.627 1.00 0.17 O TCMO 281 CB PHE A 17 5,886 66,867 20,300 1.00 0.17 c ÁTOMO 282 CG PHE A 17 5 .562 65,480 20,720 1.00 0.17 c ATOMO 283 CDl PHE A 17 4,468 64,838 20,192 1.00 0.17 c ATOMO 284 CD2 PHE A 17 6.337 64.840 21.657 1.00 0.17 c? TCMO 285 CB1 PHB? 17 4.1S4 63,561 20,585 1.00 0.17 C TCMO 286 CB2 PHE? 17 6,027 63,563 22,057 1.00 0.17 c I TAKE 287 CZ PHE? 17,935 62,927 21,518 1.00 0.17 c TCMO 288 H PHE? 17 8,468 66,690 19,582 1.00 0.00 H TCMO 289 H? PHB? 17 5,913 66,277 18,229 1.00 0.00 B ATOM 290 290BB PHE? 17,946 67,418 20,184 1.00 0.00 B ATCMO 291 2HB PHE? 17 6,495 67,400 21,041 1.00 0.00 B ATOMO 292 HD1 PHB? 17 3,883 65,351 19,440 1.00 0.00 B TOMO 293 HD2 PHE? 17 7.205 65.348 22.059 1.00 0.00 B TCMO 294 BEI PHE? 17 3,235 63,140 20,300 1.00 0.00 B TCMO 295 BE2 PHE? 17 6.677 63.097 22.778 1.00 0.00 B ATOMO 296 BZ PHE? 17 4,352 62,236 22,047 1.00 0.00 H TOMO 297 H LYS? 18 5,446 68,858 18,119 1.00 0.22 N ATOM 298 C? LYS? 18 5.403 70.243 17.781 1.00 0.22 C ATCMO 299 C LYS? 18 5,558 70,999 19,056 1.00 0.22 c ATOMO 300 OR LYS? 18 S.134 70,546 20,119 1.00 0.22 or ATOM 301 CB LYS? 18 4,077 70,663 17,126 1.00 0.22 c ATOM 302 CG LYS? 18 2,859 70,405 18,012 1.00 0.22 c ATOM 303 CD LYS? 18 1,586 71,086 17,511 1.00 0.22 c ATCMO 304 CB LYS? 18 0.375 70.870 18.418 1.00 0.22 c ATCMO 305 NZ LYS? 18 -0.743 71.728 17.967 1.00 0.22 N1 + ATOM 306 H LYS? 18 4,641 68,278 17,925 1.00 0.00 H ATOMO 307 HA LYS A 18 6.267 70.377 17.128 1.00 0.00 H ÁTOMO 308 1HB LYS A 18 3,964 70,148 16,156 1.00 0.00 H ATCMO 309 2BB LYS? 18 4.150 71.742 16.902 1.00 0.00 H TOMO 310 1BG LYS? 18 3.038 70.808 19.019 1.00 0.00 H ATCMO 311 2BG LYS? 18 2,689 69,320 18,128 1.00 0.00 H ATOM 312 1HD LYS? 18 1,354 70,729 16,492 1.00 0.00 B ? TOMO 313 2HD LYS A 18 1,792 72,168 17,428 1.00 0.00 H ÁTOMO 314 1HB LYS A 18 0.596 71.147 19.461 1.00 0.00 H ÁTOMO 315 2HE LYS A 18 0.024 69.828 18.411 1.00 0.00 H ÁTOMO 316 1HZ LYS A 18 -1,576 71,594 18,528 1.00 0.00 H ATOMO 317 2HZ LYS A 18 -0.522 72.713 18.013 1.00 0.00 H ATCMO 318 3HZ LYS A 18 -1,016 71,517 17,014 1.00 0.00 H ATCMO 319 N GLY A 19 6,207 72,174 18,978 1.00 0.21 N ATOMO 320 CA GLY A 19 6,383 72,980 20,146 1.00 0.21 C ÁTOMO 321 C GLY A 19 7,708 72,652 20,746 1.00 0.21 C ATOMO 322 OR GLY A 19 8,192 73,365 21,623 1.00 0.21 O ATOMO 323 H GLY? 19 6,494 72,539 18,071 1.00 0.00 H ATCMO 324 1HA GLY? 19 5.676 72.621 20.917 1.00 0.00 H ATCMO 325 2BA GLY? 19 6.080 74.028 20.096 1.00 0.00 H I TAKE 326 N GLU? 20 8.338 71.560 20.281 1.00 0.23 N ? TOMO 327 C? GLO? 20 9.610 71.201 20.830 1.00 0.23 C ATOMO 328 C GLO? 20 10,642 72,074 20,202 1.00 0.23 C TCMO 329 0 GLO? 20 10,428 72,635 19.128 1.00 0.23 O TOMO 330 CB GLO? 20 10,002 69,736 20,574 1.00 0.23 c TOMO 331 CG GLO? 20 9.106 68.753 21.327 1.00 0.23 c ATOMO 332 CD GLU? 20 9.228 69.092 22.806 1.00 0.23 c ATOMO 333 OEl GLU? 20 10,378 69,332 23,263 1.00 0.23 0 ATOMO 334 OE2 GLU? 20 8.174 69,131 23,495 1.00 0.23 Ol- ATOM 335 H GLU A 20 7,903 70,908 19,641 1.00 0.00 H ATOM 336 H? GLU A 20 9.596 71.403 21.915 1.00 0.00 H ÁTOMO 337 1KB GLO A 20 11,054 69,593 20,883 1.00 0.00 H ÁTOMO 338 2HB GLU- A 20 9,998 69,547 19,493 1.00 0.00 H ATCMO 339 1HG GLU? 20 9,443 67,718 21,165 1.00 0.00 H ATOMO 340 2HG GLU? 20 8.053 68.826 21.031 1.00 0.00 H ATOMO 341 N? SN? 21 11,794 72,224 20,879 1.00 0.16 N TCMO 342 C? ? SN A 21 12,833 73.0S1 20,346 1.00 0.16 C ATCMO 343 c ASN.? 21 13,814 72,151 19,677 1.00 0.16 C ATOMO 344 or? SN? 21 14,134 71,074 20,179 1.00 0.16 O ATOM 345 CB? SN? 21 13,589 73,859 21,415 1.00 0.16 c ATCMO 346 CG? SN? 21 12,613 74,885 21,970 1.00 0.16 c ATOMO 347 OD1? SN? 21 11,595 75,174 21,347 1.00 0.16 or ATOMO 348 ND2? SN A 21. .12.923 75.448 23.168 1.00 0.16 N ÁTOMO 349 H ASN A 21 12,004 71,689 21,705 1.00 0.00 H ATOM 350 H? ASH? 21 12,376 73,724 19,624 1.00 0.00 H ATOMO 351 1HB ASN? 21 14,424 74,395 20,932 1.00 0.00 H ATOMO 352 2HB? SN A 21 13,999 73,200 22,196 1.00 0.00 H ÁTOMO 353 1HD2 ASN A 21 13,738 75,183 23,688 1.00 0.00 H ATOM 354 2HD2? SN? 21 12,260 76,106 23,540 1.00 0.00 H ATOMO 355 N VAL A 22 14.289 72.567 18.490 1.00 0.07 N? VOLUME 356 C? VAL A 22 15,243 71,773 17,780 1.00 0.07 C TCMO 357 c VAL A 22 16.439 72.632 17.559 1.00 0.07 c ATOMUM 358 or VAL A 22 16,312 73,813 17,236 1.00 0.07 0 ATOM 359 CB VAL? 22 14,753 71,331 16,431 1.00 0.07 c ATOMO 360 CGl VAL A 22 15,891 70,592 15,710 1.00 0.07 c ATOM 361 CG2 VAL A 22 13,481 70,487 16,626 1.00 0.07 c TCMO 362 H VAL A 22 14,067 73,488 18,125 1.00 0.00 H ? I TAKE 363 H? VAL A 22 15,511 70,880 18,368 1.00 0.00 H ATOM 364 HB VAL? 22 14,492 72,177 15,998 1.00 0.00 H ATCMO 365 1HG1 VAL? 22 15,529 70,095 14,795 1.00 0.00 H ATOM 366 2BG1 VAL? 22 16,697 71,275 15,398 1.00 0.00 B ATCMO - 367 3HG1 VAL A 22 16,314 69,825 16,375 1.00 0.00 B ATOM 368 1HG2 VAL? 22 13.124 70.080 15.667 1.00 0.00 H ATCMO 369 2HG2 VAL? 22 13,699 69,636 17,292 1.00 0.00 H ÁTOMO 370 3HG2 VAL A 22 12,657 71,073 17,064 1.00 0.00 H ATONO 371 H THR? 23 17,641 72,066 17,762 1.00 0.06 N ÁTO OR 372 C? THR? 23 18,823 72,838 17,530 1.00 0.06 c TOMO 373 C THR? 23 19,615 72,126 16,486 1.00 0.06 C ATCMO 374 OR THR? 23 19.909 70.939 16.612 1.00 0.06 O ATOM 375 CB THR? 23 19.704 72.975 18.737 1.00 0.06 c ATOM 376 OG1 TBR? 23 18.992 73.612 19.787 1.00 0.06 0 ATCMO 377 CG2 THR A 23 20,936 73,813 18,353 1.00 0.06 c ATCMO 378 B THR A 23 17,775 71,115 18,098 1.00 0.00 R ATOM 379 B? TBR? 23 18,556 73,850 17,211 1.00 0.00 H ATOM 380 HB THR? 23 20,031 71,986 19,091 1.00 0.00 H ATOM 381 HG1 THR? 23 18,059 73,402 19,624 1.00 0.00 H TCMO 382 1HG2 THR? 23 21,551 74,025 19,243 1.00 0.00 H ATOM 383 2HG2 THR? 23 21,585 73,297 17,628 1.00 0.00 B ATOM 384 3HG2 THR? 23 20,634 74,784 17,926 1.00 0.00 H ATOMO 385 H LEO? 24 19,967 72,846 15,407 1.00 0.06 N ATOM 386 C? LEU A 24 20.752 72.253 14.368 1.00 0.06 C ATOMO 387 C LEO A 24 22,058 72,966 14,393 1.00 0.06 c ATCMO 388 OR LEU A 24 22.104 74.195 14.388 1.00 0.06 or ATOMO 389 CB LEU? 24 20,163 72,461 12,965 1.00 0.06 c TOMO 390 CG LEU? 24 18.783 71.804 12.774 1.00 0.06 c ? TOMO 391 CDl LEU A 24 18.246 72.039 11.352 1.00 0.06 c ÁTOMO 392 CD2 LEU A 24 18,814 70,318 13,167 1.00 0.06 c ÁTOMO 393 H LEU A 24 19,688 73,815 15,281 1.00 0.00 B ATOM 394 H? LEU A 24 20,869 71,185 14,552 1.00 0.00 B ÁTOMO 395 1HB LEU A 24 20.876 72.019 12.246 1.00 0.00 H ATCMO 396 2HB LEU A 24 20.105 73.537 12.729 1.00 0.00 H TCMO 397 HG LEU? 24 18,071 72,302 13,461 1.00 0.00 H ATOMO 398 1HD1 LEU? 24 17,231 71,624 11,245 1.00 0.00 H ATCMO 399 2BD1 LEU? 24 18,193 73,115 11,117 1.00 0.00 H ATOMO 400 3BD1 LEU? 24 18,893 71,560 10,600 1.00 0.00 H ATCMO 401 1BD2 LEU? 24 17,820 69,888 12,973 1.00 0.00 H ATOMO 402 2BD2 LEU? 24 19,551 69,756 12,571 1.00 0.00 B ATOM 403 3BD2 LEU? 24 19,059 70,199 14,225 1.00 0.00 H ATOM 404 H THR? 25 23,167 72,207 14,441 1.00 0.28 N ATCMO 405 C? THR? 25 24,439 72,857 14,453 1.00 0.28 C ATOM 406 C THR? 25 25,210 72,309 13,308 1.00 0.28 C ATOM 407 or THR? 25 25,220 71,106 13,059 1.00 0.28 O ATOM 408 THR? 25 25,235 72,590 15,697 1.00 0.28 C ATOMO 409 OG1 THR A 25 24,523 73,038 16,841 1.00 0.28 0 ATCM ° 410 CG2 THR? 25 26,580 73,327 15,588 1.00 0.28 c ATOM 411 H THR? 25 23,130 71,194 14,477 1.00 0.00 H ATCMO 412 H? THR A 25 24,322 73,946 14,351 1.00 0.00 H ATOM 413 HB THR? 25 25,413 71,521 15,855 1.00 0.00 H ATOM 414 HG1 THR.A 25 24,344 73,978 16,692 1.00 0.00 H ATOM 415 1BG2 THR? 25 27,114 73,289 16,552 1.00 0.00 H ATCMO 416 2BG2 TBR? 25 27,249 72,875 14,839 1.00 0.00 B ATOM 417 3BG2 TBR A 25 26,439 74,392 15,338 1.00 0.00 B ATOM 418 H CYS A 26 25,878 73,197 12,565 1.00 0.52 N ATOM 419 C? CYS A 26 .26,616 72,723 11,446 1.00 0.52 C ATOM 420 C CYS A 26 28,050 72,983 11.751 1.00 0.52 c ATOMUM 421 OR CYS A 26 28,460 74,132 11,908 1.00 0.52 0 ATOMO 422 CB CYS A 26 26,230 73,510 10,198 1.00 0.52 c ATCMO 423 SG CYS A 26 27,098 72,999 8.709 1.00 0.52 s ÁTOMO 424 H CYS A 26 25,870 74,196 12,727 1.00 0.00 H ATOM 42S H? CYS A 26 26,399 71,671 11,235 1.00 0.00 H ÁTOMO 426 1HB CYS A 26 26,355 74,595 10,346 1.00 0.00 H ÁTOMO 427 2BB CYS A 26 25,173 73,319 10,007 1.00 0.00 ATOM 428 N ASN? 27 28,853 71,907 11,836 1.00 0.35 N ATCMO 429 CA ASH? 27 30,232 72,073 12,176 1.00 0.35 c ATOMO 430 C ASH? 27 31,043 71,766 10,964 1.00 0.35 c ATOMO 431 O? SN A 27 30,620 71,010 10,092 1.00 0.35 o ATOMO 432 CB ASN A 27 30.713 71.117 13.280 1.00 0.35 c ATOM 433 CG ASN A 27 30,594 69,697 12,743 1.00 0.35 c ATOM 434 OD1 ASN A 27 29,551 69,298 12,228 1.00 0.35 or ÁTOMO 435 ND2 ASN A 27 31,698 68,912 12,855 1.00 0.35 H ATOM 436 B ASN? 27 28,542 70,946 11,685 1.00 0.00 H ? TOMO 437 B? ASN A 27 30,415 73,099 12,532 1.00 0.00 H ÁTOMO 438 1HB ASN A 27 30,081 71,201 14,180 1.00 0.00 H ATOM 439 2HB? SH? 27 31,746 71,384 13.SS7 1.00 0.00 H ÁTOMO 440 1BD2 ASH A 27 32,530 69,230 13,317 1.00 0.00 H ATOMO 441 2HD2 ASN A 27 31,597 67,953 12,575 1.00 0.00 H ÁTOMO 442 H GLY A 28 32.237 72.381 10.876 1.00 0.1S N ATOMO 443 C? GLY? 28 33.101 72.141 9.762 1.00 0.15 C ATOM 444 C GLY? 28 33.969 73.345 9.623 1.00 0.15 C ATOM 445 or GLY? 28 33,839 74,305 10,382 1.00 0.15 O ATOM 446 H GLY? 28 32,528 73,118 11,502 1.00 0.00 H ATOMO 447 lH? GLY A 28 32,514 72,014 8,837 1.00 0.00 H TOMO 448 2H? GLY A 28 33.710 71.234 9.918 1.00 0.00 H ATOM 449 N? SN? 29 34.882 73.329 8.633 1.00 0.16 N ATOMO 450 CA? SN? 29 35,730 74,467 8,454 1.00 0.16 C ÁTOMO 451 C ASN A 29 34.852 75.590 8.021 1.00 0.16 C ATOMO 452 0? SN? 29 33,866 75,388 7,315 1.00 0.16 O TCMO 453 CB ASN A 29 36,820 74,286 7,382 1.00 0.16 c TCMO 454 CG ASN? 29 37,876 73,331 7,919 1.00 0.16 c ? VOLUME 455 OD1 ASN A 29 37.878 72.973 9.096 1.00 0.16 or ATCMO 456 ND2? SN? 29 38,816 72,917 7,029 1.00 0.16 N ÁTOMO 457 H ASN A 29 35.005 72 .548 8.013 1.00 0.00 H ATCMO 458 B? ASN A 29 36.207 74.723 9.419 1.00 0.00 B ATOMO 459 1HB ASN A 29 37,363 75,225 7,240 1.00 0.00 H ATOMO 460 2HB ASN? 29 36,417 73,884 6,449 1.00 0.00 H ATOMO 461 1HD2? SN? 29 38,833 73,235 6,078 1.00 0.00 H ATOMO 462 2HD2 ASN? 29 39,532 72,304 7,380 1.00 0.00 H ÁTOMO 463 N ASN A 30 35,187 76,815 8,463 1.00 0.16 N ATOM 464 C? ASN A 30 34,377 77,945 8,127 1.00 0.16 C ATOMO 465 C ASN A 30 35,268 79,043 7.645 1.00 0.16 c ATOMO 466 or ASN? 30 36,420 79,153 8,060 1.00 0.16 or ÁTOMO 467 CB ASN A 30 33.609 78.491 9.339 1.00 0.16 c ATOM 468 CG? SN? 30 32.795 79.688 8. B86 1.00 0.16 c ATOMO 469 OD1? SN A 30 32.210 79.707 7.805 1.00 0.16 or ATCMO 470 ND2 ASN A 30 32.781 80.740 9.746 1.00 0.16 N ATOMO 471 H ASN A 30 36,004 77,014 9,015 1.00 0.00 H ATOMO 472 B? ASN? 30 33,660 77,670 7,338 1.00 0.00 B ATOMO 473 1HB? SN A 30 34,308 7B .750 10,151 1.00 0.00 H TCMO 474 2BB ASN A 30 32.904 77.733 9.720 1.00 0.00 H ? TOMO 475 1HD2? SH A 30 33.2S0 80.708 10.630 1.00 0.00 B ATOMO 476 2HD2 ASH? 30 32.0S4 81.435 9.600 1.00 0.00 B ATOMO 477 N PHE? 31 34,745 79,879 6,724 1.00 0.12 N ATOM 478 C? PHE A 31 35,486 81,003 6,236 1.00 0.12 C ATOMUM 479 C PHE A 31 35,228 82,101 7,212 1.00 0.12 c ATOMO 480 OR PHB A 31 34.243 82.061 7.945 1.00 0.12 or ATOMO 481 CB PHB? 31 35,024 81,481 4,850 1.00 0.12 c ATOMO 482 CG PHB? 31 35,870 82,641 4,458 1.00 0.12 c ATOM 483 CDl PBB A 31 37,137 82,444 3,958 1.00 0.12 c ATOMO 484 CD2 PHB A 31 35,395 83,926 4,581 1.00 0.12 c ATOMO 485 CEI PHB A 31 37.919 83.513 3.589 1.00 0.12 c ATCMO 486 CE2 PHE? 31 36,173 84,999 4,215 1.00 0.12 c ATOMO 487 CZ PHB? 31 37,439 84,793 3,720 1.00 0.12 c ATOMO 488 H PHE? 31 33,732 79,978 6,684 1.00 0.00 B ATOMO 489 H? PHB A 31 36,560 80,758 6,226 1.00 0.00 B ÁTOMO 490 1HB PHB A 31 33,955 81,746 4,883 1.00 0.00 H ÁTOMO 491 2HB PHB A 31 * 35.127 80. 664 4.121 1.00 0.00 H ATOMO 492 BD1 PHB? 31 37,521 81,438 3,830 1.00 0.00 H ATOMO 493 HD2 PHB? 31 34,399 84,066 4,975 1.00 0.00 H ÁTOMO 494 HE1 PHB A 31 38.916 83.346 3.188 1.00 0.00 H ÁTOMO 495 KB2 PHB A 31 35,783 86,009 4,316 1.00 0.00 H ÁTOMO 496 HZ PHB A 31 38,053 85,642 3,428 1.00 0.00 H ATCMO 497 N PHE A 32 36,111 83,113 7.268 1.00 0.11? VOLUME 498 C? PHE? 32 35.851 84.138 8.229 1.00 0.11 C I TAKE 499 C PHE? 32 34.911 85.104 7.598 1.00 0.11 c ATOMO 500 OR PHB? 32 35,322 86,086 6,982 1.00 0.11 or ATCMO 501 CB PHB? 32 37,114 84,895 8,670 1.00 0.11 c ATCMO 502 CG PHE? 32 37.971 83.875 9.336 1.00 0.11 c ATCMO 503 CDl PHB? 32 38,800 83,076 8,583 1.00 0.11 c ATCMO 504 CD2 PHB? 32 37.941 83.706 10.700 1.00 0.11 c TCMO 505 CB1 PHE? 32 39,597 82,127 9,178 1.00 0.11 c TCMO 506 CB2 PHE? 32 38,735 82,758 11,300 1.00 0.11 c ATOMO 507 CZ PHE? 32 39,564 81,967 10,542 1.00 0.11 c I TAKE 508 H PHE? 32 36,835 83,274 6,588 1.00 0.00 H ?I TAKE . 509 H? PHE? 32 35.409 83.699 9.143 1.00 0.00 B TOMO 510 1HB PHE? 32 36,811 85,700 9,358 1.00 0.00 B ATOM 511 2HB PHE? 32 37.630 85.368 7.820 1.00 0.00 K ATOM 512 KD1 PHE? 32 38.B64 83.214 7.507 1.00 0.00 H ATOM 513 HD2 PHE? 32 37,287 84,326 11,307 1.00 0.00 H ATOMO 514 HB1 PHB? 32 40,252 81,506 8,572 1.00 0.00 B ATCMO 515 HB2 PHE? 32 38,705 82,632 12,380 1.00 0.00 B ATOM 516 HZ PHB A 32 40,190 81,217 11,019 1.00 0.00 B ATOMO 517 N GLO A 33 33,600 84,832 7,738 1.00 0.10 H ATCMO 518 C? GLU? 33 32,616 85,702 7.171 1.00 0.10 c ATCMO 519 c GLU? 33 31,455 85,739 8,108 1.00 0.10 c ATOM 520 or GLU A 33 31,273 84.B37 8,926 1.00 0.10 or ? TOMO 521 CB GLU A 33 32,084 85,228 5,809 1.00 0.10 c ATCMO 522 CG GLO A 33 31.401 83.860 5.863 1.00 0.10 c ATOMO S23 CD GLU A 33 30.934 83.526 4.456 1.00 0.10 c ATCMO 524 GLU A 33 30,393 84,442 3,782 1.00 0.10 or ATOM 525 OB2 GLU A 33 31,113 82,351 4,035 1.00 0.10 Ol ATCMO 526 H GLU A 33 33,268 83,963 8,132 1.00 0.00 H ATOM 527 B? GLO? 33 33,037 86,717 7,082 1.00 0.00 H ATOM 528 1HB GLU? 33 32,872 85,275 5,047 1.00 0.00 H ATOM 529 2HB GLU? 33 31,344 85,987 5,494 1.00 0.00 H ATCMO S30 1HG GLU? 33 30,550 83,937 6.54S 1.00 0.00 H ATCMO 531 2HG GLU? 33 32,063 83,066 6,242 1.00 0.00 H ATOMO 532 N VAL? 34 30,644 86,808 8.020 1.00 0.09 H ATOM 533 C? VAL A 34 29,511 86,925 8,884 1.00 0.09 c ATOMUM 534 c VAL A 34 28,559 85,818 8,570 1.00 0.09 c ATOMUM 535 OR VAL A 34 28,077 85,132 9,470 1.00 0.09 0 ATOMO 536 CB VAL A 34 28.792 88.229 8.712 1.00 0.09 c ÁTOMO 537 CGl VAL A 34 27,594 88,260 9,674 1.00 0.09 c ATOM 538 CG2 VAL A 34 29.797 89.369 8.948 1.00 0.09 c ATOMO 539 B VAL A 34 30,817 87,554 7,369 1.00 0.00 H ATCMO 540 H? VAL A 34 29,835 86,811 9,932 1.00 0.00 B ATCMO 541 HB VAL A 34 28.403 88.320 7.681 1.00 0.00 B ? TOMO 542 1HG1 VAL A 34 27,078 89,234 9,646 1.00 0.00 B ATOM 543 2BG1 VAL? 34 26,840 87,496 9,421 1.00 0.00 H ÁTOMO 544 3BG1 VAL A 34 27.913 88.090 10.716 1.00 0.00 B ATCMO 545 1HG2 VAL? 34 29,295 90,352 8,942 1.00 0.00 B ÁTOMO 546 2HG2 VAL A 34 30,288 89,266 9,931 1.00 0.00 B ATCMO 547 3BG2 VAL A 34 30,583 89,418 8,177 1.00 0.00 B ÁTOMO 548 N SER A 35 28,277 85,587 7,274 1.00 0.11 N ATOM 549 C? SER A 35 27.364 84.531 6.942 1.00 0.11 c ATOMO 550 c SER A 35 28.183 83.307 6.696 1.00 0.11 c ATOMO 551 OR BE? 35 28,493 82,953 5,559 1.00 0.11 0 ÁTOMO 552 CB SER A 35 26,512 84,826 5,689 1.00 0.11 c ÁTOMO 553 OG SER A 35 27,339 85,023 4,552 1.00 0.11 o ATOMO 554 B SER A 35 28,711 86,062 6,500 1.00 0.00 H ATOMO 555 BA SER A 35 26,653 84,371 7,771 1.00 0.00 B ATOMO 556 1BB SER.? 35 25,922 85,742 5,827 1.00 0.00 H ATOMO 557 2HB SER? 35 25,812 83,985 5,528 1.00 0.00 H ATOMO 558 BG SER? 35 27,975 84,275 4,528 1.00 0.00 H ATOMO 559 N SER? 36 28,548 82,623 7,794 1.00 0.27 N ATCMO 560 C? SBR? 36 29,398 81,472 7,742 1.00 0.27 c ATOMO 561 c SER? 36 _, 28.707 80.338 7.057 1.00 0.27 c TOMO 562 or BE? 36 29,282 79,676 6,194 1.00 0.27 or ATOMO 563 CB SER A 36 29.776 80.977 9.147 1.00 0.27 c TOMO 564 OG SER? 36 30,410 82,020 9,871 1.00 0.27 or ATCMO 565 H SER? 36 28,273 82,996 8,696 1.00 0.00 B ATOM 566 H? BE A 36 30.311 81.701 7.172 1.00 0.00 H ÁTOMO 567 1HB SER A 36 30.374 80.065 9.130 1.00 0.00 8 ? TOMO 568 2HB SER A 36 28.855 80.708 9.694 1.00 0.00 B? TOMO 569 BG SER? 36 30,299 82,846 9,362 1.00 0.00 H ATCMO 570 H TBR? 37 27,431 80,089 7.399 1.00 0.48 N ATOMO 571 CA TBR? 37 26,842 78,902 6,858 1.00 0.48 C TCMO 572 C THR? 37 25,567 79,191 6,148 1.00 0.48 C TCMO 573 OR THR? 37 24,911 80,206 6,377 1.00 0.48 O ÁTOMO 574 CB THR A 37 26,522 77,882 7,901 1.00 0.48 c ATCMO 575 OG1 THR? 37 25,965 76,737 7,283 1.00 0.48 or ATOM 576 CG2 THR? 37 25,515 78,485 8,896 1.00 0.48 c ATCMO 577 B TBR? 37 26,845 80,714 7,922 1.00 0.00 H ATOM 578 H? THR? 37 27,513 78,421 6,132 1.00 0.00 H ATOM 579 BB THR? 37 27,418 77,638 8,460 1.00 0.00 H ATOM. 580 HG1 THR? 37? 5,715 76,122 7,988 1.00 0.00 H TCMO 581 1BG2 TBR? 37 25.307 77.711 9.648 1.00 0.00 H ATOM 582 2BG2 THR? 37 25,923 79,370 9,399 1.00 0.00 H ATOM 583 3HG2 THR? 37 24,557 78,741 8,418 1.00 0.00 B ATOMO 5B4 N LYS? 38 25,205 78,268 5.235 1.00 0.41 H ATOM 585 C? LYS? 38 23,972 78,360 4,517 1.00 0.41 C ATOMO 586 c LYS? 38 23,171 77,183 4,969 1.00 0.41 C ATOM 587 or LYS? 38 23,687 76,068 5,054 1.00 0.41 O ATOM 588 CB LYS? 38 24,131 78,210 2,995 1.00 0.41 c ATOM 589 CG LYS? 38 25,186 79,135 2,385 1.00 0.41 c ATOMO 590 CD LYS? 38 26,617 78,728 2,751 1.00 0.41 c ATOM 591 CE LYS? 38 27,700 79,493 1,986 1.00 0.41 c ATOMO 592 HZ LYS? 38 29,037 78,966 2,348 1.00 0.41 H1 + ATOMO 593 H LYS? 38 25,629 77,348 5,315 1.00 0.00 H ATOM 594 B? LYS? 38 23,477 79,318 4,738 1.00 0.00 H ATOMO 595 1HB LYS? 38 23,141 78,390 2,541 1.00 0.00 H TCMO 596 2BB LYS? 38 24.408 77.173 2.761 1.00 0.00 H ATOMO 597 1BG LYS? 38 24,996 80,183 2,681 1.00 0.00 H ATOMO 598 2HG LYS? 38 25,082 79,106 1,285 1.00 0.00 H ATOMO 599 1HD LYS? 38 26,726 77,658 2,649 1.00 0.00 H ATOM 600 600 LYS? 38 26,849 78,975 3,795 1.00 0.00 H I TAKE 601 1HE LYS? 38 27,684 80,565 2,244 1.00 0.00 H ATOM 602 2HB LYS? 38 27,598 79,398 0.893 1.00 0.00 H ATOM 603 1BZ LYS? 38 29.782 79.444 1.855 1.00 0.00 H TCMO 604 2BZ LYS? 38 29,227 79,092 3,336 1.00 0.00 H ATOM 605 3BZ LYS? 38 29,137 77.9B2 2.132 1.00 0.00 B ATOM 606 N TRP? 39 21,884 77,401 5,297 1.00 0.18 H ATCMO 607 C? TRP? 39 21,073 76,294 5,707 1.00 0.18 C ATOM 608 c TRP? 39 20,040 76,079 4,659 1.00 0.18 c ATOM 609 or TRP? 39 19,565 77,025 4,034 1.00 0.18 or ATOM 610 CB TRP? 39 20,331 76,490 7,044 1.00 0.18 c ATCMO 611 CG TRP? 39 21,211 76,379 8,268 1.00 0.18 c ATOM 612 CDl TRP? 39 21,745 77,350 9,062 1.00 0.18 c ATCMO 613 CD2 TRP? 39 21,658 75,123 8,802 1.00 0.18 c ATOM 614 NEI TRP? 39 22,498 76,776 10,062 1.00 0.18 H ATOM 615 CE2 TRP? 39 22,453 75,405 9,912 1.00 0.18 c ATOMO 616 CE3 TRP? 39 21,425 73,840 8,397 1.00 0.18 c ATOM 617 CZ2 TRP? 39 23,031 74,401 10,636 1.00 0.18 c ATCMO 618 CZ3 TRP? 39 22,006 72,830 9.130 1.00 0.18 c ATOM 619 CH2 TRP? 39 22.793 73.105 10.228 1.00 0.18 c ATOM 620 H TRP? 39 21,424 78,294 5,236 1.00 0.00 H ATOM 621 B? TRP? 39 21,686 75,386 5,806 1.00 0.00 H ATOM 622 1HB TRP? 39 19,541 75,720 7,109 1.00 0.00 B ATOM 623 2HB TRP? 39 19.802 77.454 7.048 1.00 0.00 B TOMO 624 BD1 TRP? 39 21,773 78,413 8,875 1.00 0.00 H I TAKE 625 BEI TRP? 39 23,073 77,294 10,699 1.00 0.00 H ATOMO 626 HE3 TRP? 39 20,762 73,621 7,571 1.00 0.00 H ATONO 627 HZ2 TRP? 39 23,619 74,619 11,521 1.00 0.00 B ATCMO 628 BZ3 TRP? 39 21,828 71,796 8,843 1.00 0.00 B ATOM 629 HH2 TRP? 39 23,234 72,302 10,807 1.00 0.00 H ATOM 630 N PHE? 40 19,690 74,803 4,416 1.00 0.08 H ATOMO 631 C? PHE? 40 18,688 74,538 3,434 1.00 0.08 C ATOM 632 c PBE? 40 .17.664 73.654 4.057 1.00 0.08 C ATOMO 633 or PHE? 40 17.990 72.739 4.811 1.00 0.08 0 ATOM 634 CB PHE A 40 19,229 73,816 2,190 1.00 0.08 c ATOM 635 CG PHB A 40 20,153 74,766 1,514 1.00 0.08 c ATCMO 636 CDl PHE? 40 21,465 74,872 1,916 1.00 0.08 c ATOM 637 CD2 PHE? 40 19.703 75.553 0.478 1.00 0.08 c I TAKE 638 CE PHE? 40 22,315 75,752 1,291 1.00 0.08 c ATOM 639 CE2 PHE? 40 20,551 76,435 -0,150 1.00 0.08 c? TCMO 640 CZ PEE? 40 21,860 76,534 0.257 1.00 0.08 TCMO 641 H PHE? 40 20,105 74,013 4,892 1.00 0.00 H ATOM 642 B? PHE? 40 18.309 75.494 3.136 1.00 0.00 H ATCMO 643 1HB PHE? 40 18,376 73,555 1,549 1.00 0.00 B ATOMO 644 2HB PBE? 40 19,730 72,882 2,471 1.00 0.00 B ATOMO 645 BD1 PHE A 40 21,845 74,243 2,717 1.00 0.00 B ATCMO 646 BD2 PHE A 40 18,681 75,450 0.130 1.00 0.00 H ATOMO 647 HE1 PHE A 40 23.355 75.778 1.589 1.00 0.00 H ATOM 648 HE2 PHB A 40 20,213 76,986 -1,023 1.00 0.00 H ATOMO 649 HZ PHE? 40 22,535 77,216 -0,253 1.00 0.00 H ATOMO 650 N HXS? 41 16,383 73,945 3,777 1.00 0.10 N ATOMO - 651 C? HIS A 41 15,322 73,109 4,242 1.00 0.10 c ATOMO 652 c BIS? 41 14,620 72,643 3,014 1.00 0.10 c ATCMO 653 or BIS? 41 14,100 73,447 2,242 1.00 0.10 or ATOMO 654 CB HIS? 41 14,287 73,836 5,109 1.00 0.10 c ATCMO 655 CG HIS A 41 13.274 72.893 5.682 1.00 0.10 c TCMO 656 ND1 HXS? 41 12,236 73,278 6,499 1.00 0.10 N ATCMO 657 CD2 HXS? 41 13,159 71,544 5,541 1.00 0.10 c ATCMO 658 CEI HXS A 41 11,548 72,151 6,810 1.00 0.10 c ATCMO 659 NE2 HXS A 41 12,071 71,072 6.253 1.00 0.10 H ATOMO 660 H HXS A 41 16,131 74,767 3,233 1.00 0.00 H ATCMO 661 B? HXS A 41 15,740 72,280 4,830 1.00 0.00 H ATCMO 662 1HB HXS A 41 13.796 74.642 4.539 1.00 0.00 H ATOMO 663 2HB HXS A 41 14,822 74,338 5,936 1.00 0.00 H ATCMO 664 HD2 HXS A 41 13,744 70,826 5,017 1.00 0.00 H TCMO 665 HE1 BIS? 41 10,614 72,196 7,348 1.00 0.00 H ? TOMO 666 HE2 HIS A 41 11,764 70,142 6,452 1.00 0.00 H ATCMO 667 N? SN? 42 14,593 71,319 2,797 1.00 0.11 H ATOM 668 C? ASN A 42 13,967 70,801 1,622 1.00 0.11 c I TAKE 669 c ASN? 42 14,617 71,443 0.440 1.00 0.11 c ATOMO 670 or ASN A 42 14,003 71,602 -0,614 1.00 0.11 or ATOMO 671 CB ASN A 42 12,450 71,059 1,562 1.00 0.11 c TCMO 672 CG ASN? 42 11.781 70.123 2.558 1.00 0.11 c ? TCMO 673 OD1? SN? 42 12,427 69,246 3,129 1.00 0.11 or ATOMO 674 ND2 ASN? 42 10,447 70,298 2,758 1.00 0.11 H ATCMO 675 H ASN A 42 14,894 70,665 3,517 1.00 0.00 H ATOM 676 HA ASN? 42 14,186 69,722 1,529 1.00 0.00 H ÁTOMO 677 1HB ASN A 42 12,064 70,773 0.568 1.00 0.00 H ATCMO 678 2HB? SN? 42 12,165 72,105 1,744 1.00 0.00 H ? TCMO 679 1BD2 ASN A 42 9,946 71,057 2,334 1.00 0.00 B ATCMO 680 2HD2 ASN? 42 10,000 69,733 3,462 1.00 0.00 B ATOMO 681 N GLY? 43 15,899 71,821 0.589 1.00 0.08 N ATOMO 682 C? GLY? 43 16.624 72.378 -0.515 1.00 0.08 C ATCMO 683 c GLY? 43 16,364 73,848 -0,611 1.00 0.08 C ATCMO 684 0 GLY? 43 16,830 74,497 -1,546 1.00 0.08 O ÁTOMO 685 H GLY A 43 16.2S0 71.979 1.521 1.00 0.00 B ATOMO 686 B? GLY A 43 16,323 71,897 -1,458 1.00 0.00 B TCMO 687 2HA GLY? 43 17.706 72.230 -0.374 1.00 0.00 B TCMO 688 N SER? 44 15,617 74,428 0.346 1.00 0.15 N ATOM 689 C? BE A 44 15.375 75.838 0.255 1.00 0.15 C ATOMO 690 c SER? 44 16,345 76,510 1,167 1.00 0.15 C ATOMO 691 0 SER? 44 16,513 76,111 2,317 1.00 0.15 O ATOMO 692 CB SER A 44 13.964 76.262 0.694 1.00 0.15 c ÁTOMO 693 OG SER A 44 13.788 76.006 2.080 1.00 0.15 0 ATOMO 694 H SER A 44 15,032 73,916 0.998 1.00 0.00 H ÁTOMO 695 HA SBR A 44 15.4B4 76,176 -0.789 1.00 0.00 H ATCMO 696 1HB SER A 44 13,195 75,690 0.158 1.00 0.00 H ATOMO 697 2HB SER? 44 13,813 77,334 0.471 1.00 0.00 H ATCMO 698 BG SER - 44 14,352 76,634 2,559 1.00 0.00 H ATCMO 699 N LEU? 45 17,025 77,556 0.666 1.00 0.35 N ATOM 700 C? LEU A 45 17,997 78,240 1,465 1.00 0.35 C ATCMO 701 c LEU? 45 17,255 79,014 2,504 1.00 0.35 c ATOMO 702 or LEU A 45 16,195 79,578 2,241 1.00 0.35 or ? TOMO 703 CB LEU A 45 .18.886 79.190 0.622 1.00 0.35 c ATOM 704 CG LEU? 45 20,000 79,986 1,345 1.00 0.35 c ATCMO 705 CDl LEU A 45 20,847 80,767 0.328 1.00 0.35 c ATOMO 706 CD2 LEU A 45 19,465 80,938 2,433 1.00 0.35 c ATOMO 707 B LEU A 45 16.859 77.916 -0.258 1.00 0.00 H TOMO 708 H? LEU A 45 18,652 77,484 1,916 1.00 0.00 H ÁTOMO 709 1HB LEU A 45 18,219 79,931 0.143 1.00 0.00 H ATCMO 710 2HB LEU A 45 19,327 78,630 -0.212 1.00 0.00 H ATOM 711 HG LEU A 45 20,665 79,253 1,840 1.00 0.00 H ATOMO 712 1HD1 LEU A 45 21.676 81.302 0.821 1.00 0.00 H TCMO 713 2HD1 LEO A 45 21,291 80,099 -0,428 1.00 0.00 H ATCMO 714 3HD1 LEO A 45 20.234 81.514 -0.203 1.00 0.00 B ? TOMO 715 1HD2 LEO A 45 19,719 81,980 2,158 1.00 0.00 H ? TOMO 716 2HD2 LEO A 45 18.389 81.005 2.576 1.00 0.00 H ÁTOMO 717 3HD2 LEU A 45 20,074 80,759 3,311 1.00 0.00 B ATCMO 718 H SER A 46 17.808 79.040 3.734 1.00 0.48 N TOMO 719 C? SBR A 46 17,218 79,785 4,809 1.00 0.48 C ATCMO 720 c SER A 46 18.124 80.941 5.078 1.00 0.48 C ATOM 721 or SBR A 46 19,320 80,771 5,301 1.00 0.48 O ATONO 722 CB SBR A 46 17,159 79,037 6,154 1.00 0.48 c ? TCMO 723 OG SER A 46 16.268 77.937 6.093 1.00 0.48 0 TCMO 724 H SER A 46 18,589 78,436 3,972 1.00 0.00 B TCMO 725 B? BE A 46 16,185 80,070 4,554 1.00 0.00 B TCMO 726 imt SER A 46 16.623 79.786 6.740 1.00 0.00 H ? TCMO 727 2HB SER? 46 18,133 78,779 6,591 1.00 0.00 H ATOM 728 HG SBR A 46 16,014 77,771 7,023 1.00 0.00 H ATOM 729 H GLU A 47 17,561 82,158 5,029 1.00 0.44 N ATOM 730 C? GLU A 47 18,248 83,383 5,316 1.00 0.44 C TCMO 731 c GLU A 47 18,453 83,486 6,797 1.00 0.44 C ATOM 732 0 GLU A 47 19,343 84,188 7,271 1.00 0.44 O ATOM 733 CB GLO A 47 17,440 84,622 4,906 1.00 0.44 c ÁTOMO 734 CG GLU A 47 16,115 84,730 5,662 1.00 0.44 c ATOM 735 CD GLU A 47 15,396 85,988 5,203 1.00 0.44 c ÁTOMO 736 OEl GLO A 47 1S.8S8 86,606 4.206 1.00 0.44 o ATCMO 737 OE2 GLU A 47 14,373 86,349 5,844 1.00 0.44 Ol ÁTOMO 738 H GLU A 47 16,607 82,284 4,724 1.00 0.00 H ATOM 739 B? GLU A 47 19,239 83,381 4,833 1.00 0.00 H ATOMO 740 1HB GLU A 47 17,273 84,585 3,815 1.00 0.00 B ÁTOMO 741 2HB GLU A 47 18,068 85,508 5,110 1.00 0.00 H ÁTOMO 742 ÍBG GLO A 47 16,248 84,814 6,752 1.00 0.00 H ATOM 743 2BG GLO A 47 15,450 83.86B 5,495 1.00 0.00 H ÁTOMO 744 H GLU A 48 17.608 82.766 7.551 1.00 0.45 H ATOM 745 C? GLU A 48 17.419 82.881 8.969 1.00 0.45 C ATOM 746 C GLO A 48 18,648 82,740 9,823 1.00 0.45 c ? TOMO 747 or GLO A 48 18.857 83.579 10.697 1.00 0.45 0 ATCMO 748 CB GLO A 48 16,414 81,833 9,468 1.00 0.45 c ATCMO 749 CG GLU A 48 16.862 80.403 9.154 1.00 0.45 c ATCMO 750 CD GLO A 48 15.749 79.447 9.560 1.00 0.45 c ATOMO 751 O GLU A 48 14,717 79,928 10,099 1.00 0.45 o ÁTOMO 752 OE2 GLU A 48 15,917 78,219 9,333 1.00 0.45 Ol ? TCMO 753 H GLU? 48 16,949 82,175 7,075 1.00 0.00 H ATCMO 754 H? GLO A 48 17.016 83.885 9.188 1.00 0.00 H ÁTOMO 7SS 1HB GLO A 48 15,437 82,052 8,999 1.00 0.00 H ? TOMO 756 2HB GLU A 48 16.290 81.972 10.557 1.00 0.00 B ATCMO 757 1HG GLU A 48 17,655 80,150 9,869 1.00 0.00 H ATCMO 758 2KG GLU A 48 17.413 80.258 8.238 1.00 0.00 H ATOM 759 N THR A 49 19,523 81,735 9,626 1.00 0.5S H ATOM 760 C? THR A 49 20,475 81,591 10,695 1.00 0.55 C ATOM 761 C THR A 49 21,869 81,303 10,218 1.00 0.55 C ATOM 762 OR THR A 49 22,124 81,078 9,036 1.00 0.55 0 ATOM 763 CB THR A 49 20,062 80,467 11,603 1.00 0.55 c ATOMO 764 OG1 THR A 49 20,882 80,388 12,757 1.00 0.55 or ATOM 765 CG2 THR A 49 20,139 79,164 10,795 1.00 0.55 c ÁTOMO 766 H THR A 49 19,450 81,037 8,909 1.00 0.00 H ATOMO 767 H? THR A 49 20,596 82,511 11,285 1.00 0.00 B ÁTOMO 768 HB THR A 49 19,051 80,768 11,920 1.00 0.00 H ATOMO 769 HG1 THR.A 49 20,723 79,538 13,198 1.00 0.00 H ATOM 770 1HG2 THR? 49 19,326 78,450 10,800 1.00 0.00 H ÁTOMO 771 2HG2 THR A 49 20,226 79,357 9.715 1.00 0.00 H ATCMO 772 3HG2 THR A 49 21,061 78,660 11,101 1.00 0.00 H ATOM 773 H? SN? 50 22.808 81.331 11.191 1.00 0.44 H ÁTOMO 774 CA ASN A 50 .24.216 81.101 11.036 1.00 0.44 C ATONO 775 C ASN? 50 24,526 79,690 11,431 1.00 0.44 C ATOM 776 OR ASH? 50 23.788 78.756 11.124 1.00 0.44 O ATCMO 777 CB? SN A 50 25,082 82,012 11.923 1.00 0.44 c ATOM 778 CG ASN A 50 24,987 83,430 11,383 1.00 0.44 c ATCMO 779 OD1? SN A 50 25.306 83.682 10.223 1.00 0.44 or ATOM 780 ND2 ASN? 50 24,536 84,383 12,243 1.00 0.44 N ATCMO 781 H ASN A 50 22,433 81,246 12,132 1.00 0.00 H ATOM 782 BA? SH? 50 24,490 81,217 9,974 1.00 0.00 K ÁTOMO 783 1HB ASH A 50 26,160 81,813 11,801 1.00 0.00 H ATCMO 784 2BB ASH? 50 24,811 81,939 12,988 1.00 0.00 B ATOMO 785 1HD2? SH? 50 24,226 84,171 13,172 1.00 0.00 H ATCMO 786 2BD2 SN? 50 24,430 85,308 11,862 1.00 0.00 H ATOM 787 N SER A 51 25,661 79,521 12,140 1.00 0.25 N ATCMO 788 C? BE ? 51 26,182 78,233 12,494 1.00 0.25 C ATOMO 789 c SER A 51 25,171 77,448 13,267 1.00 0.25 C ATOM 790 or SBR A 51 24,943 76,276 12,969 1.00 0.25 O ATOM 791 CB SBR A 51 27,446 7B,324 13,365 1.00 0.25 C ATOMO 792 OG SBR? 51 27.126 7B.894 14.625 1.00 0.25 or ATOMO * 793 H SER A 51 26,206 80,301 12,462 1.00 0.00 H ATOM 794 B? BE ? 51 26,417 77,665 11,581 1.00 0.00 H ATOMO 795 1BB SER A 51 28,230 78,908 12,849 1.00 0.00 H ATOM 796 2BB SBR A 51 27,829 77,295 13,499 1.00 0.00 H ATOMO 797 BG SER A 51 27.896 78.769 15.200 1.00 0.00 B ATOM 798 H SER A 52 24,525 7B .056 14,278 1.00 0.14 H ATOMO 799 C? BE A 52 23.591 77.273 15.036 1.00 0.14 C ATOMO 800 c SER A 52 22.214 77.760 14.740 1.00 0.14 C ATOM 801 or SER A 52 21,944 78,960 14.768 1.00 0.14 OR ? TCMO 802 CB SER A 52 23.794 77.380 16. S57 1.00 0.14 C ? TOMO 803 OG SER A 52 25,058 76,846 16,919 1.00 0.14 0 ÁTOMO 804 B SER A 52 24,837 78,941 14. 640 1.00 0.00 B ATOMO 805 H? BE A 52 23.703 76.203 14.814 1.00 0.00 B ATCMO 806 1HB SER A 52 22.983 76.804 17,042 1.00 0.00 H ATCMO 807 2HB SER A 52 23.706 78.429 16.892 1.00 0.00 B ATCMO 808 BG SER A 52 25,161 76,977 17,872 1.00 0.00 B ATOM 809 H LEU? 53 21,296 76,826 14,422 1.00 0.09 H ATOMO 810 C? LEU A 53 19,948 77,236 14,179 1.00 0.09 C ATOMO 811 c LEU A 53 19,099 76,586 15,218 1.00 0.09 C ATOM 812 or LEU A 53 19,090 75,363 15,358 1.00 0.09 O ATOMO 813 CB LEU A 53 19,400 76,833 12,798 1.00 0.09 c ATOMO 814 CG LEU A 53 17,946 77,287 12 .554 1.00 0.09 c ATOMO 815 CDl LEU A 53 17,822 78,817 12,594 1.00 0.09 c ATOM 816 CD2 LEU A 53 17,391 76,694 11,251 1.00 0.09 c ATOM 817 H LEU? 53 21,500 75,830 14,376 1.00 0.00 H ATOMO 818 B? LEU A 53 19,874 78,321 14,291 1.00 0.00 H ATOM 819 1HB LEU? 53 19.407 75.728 12.754 1.00 0.00 B ATOM 820 2BB LEU A 53 20,106 77,112 12,014 1.00 0.00 B ATOMO 821 HG LEU A 53 17,336 76,870 13,377 1.00 0.00 B ATCMO 822 1HD1 LEU A 53 16,830 79,056 13,024 1.00 0.00 B ATCMO 823 2HD1 LEU A 53 18,521 79,331 13,257 1.00 0.00 B ATOMO 824 3HD1 LEU A 53 17,754 79,272 11,609 1.00 0.00 H ATOMO 825 1HD2 LEU A 53 16.302 76.848 11.201 1.00 0.00 H ATCMO 826 2BD2 LEU A 53 17,862 77,101 10,346 1.00 0.00 B ? TOMO 827 3HD2 LEU A 53 17,544 75,602 11,226 1.00 0.00 B ATOM 828 H ASN A 54 18,372 77,405 15,998 1.00 0.09 H ATCMO 829 C? ASN A 54 17,529 76,854 17,013 1.00 0.09 C ATOM 830 c ASN A 54 16,131 77,235 16,666 1.00 0.09 C ATOM 831 or ASH? 54 15,849 78,395 16,374 1.00 0.09 O ATCMO 832 CB? SN? 54 17,800 77,421 18,416 1.00 0.09 c ATOMO 833 CG ASN? 54 16,982 76,612 19,411 1.00 0.09 c ATOM 834 OD1 ASN A 54 16,409 75,580 19,069 1.00 0.09 or ATOM 835 HD2 ASN? 54 16,916 77,099 20,679 1.00 0.09 N ATOM 836 H ASH? 54 18,265 78,392 15,833 1.00 0.00 H ATOM 837 B? ASH A S4 17.682 7S.775 17.052 1.00 0.00 B ATOM 838 1BB ASN A 54 17,555 78,493 18,473 1.00 0.00 H ATOMO 839 2HB ASN? 54 18,867 77,298 18,670 1.00 0.00 H ATOMO 840 1HD2 ASN A 54 17,381 77,945 20,949 1.00 0.00 H ATOM 841 2BD2 ASN? 54 16,363 76,577 21,336 1.00 0.00 H ATOMO 842 N XLE A 55 15.213 76.255 16.677 1.00 0.08 N ATOMO 843 C? ILE A 55 13,854 76,575 16,377 1.00 0.08 C ATOMO 844 c XLB A 55 13,041 76,131 17,542 1.00 0.08 C I TAKE 845 or XLB? 55 - 13,338 75,121 18,178 1.00 0.08 O ATOM 846 CB XLE A 55 13,310 75,856 15,178 1.00 0.08 C ATOMO 847 CGl XLE A 55 13,293 74,339 15,424 1.00 0.08 c ATOMO 848 CG2 XLE A 55 14,135 76,277 13,950 1.00 0.08 c ATOMO 849 CDl ILE A 55 12,481 73,570 14,384 1.00 0.08 c ATONO 850 B ILE A 55 15,434 75,327 17,030 1.00 0.00 H ÁTOMO 851 HA XLE A 55 13,731 77,661 16,238 1.00 0.00 H TOMO 852 HB ILE A 55 12,270 76,207 15,038 1.00 0.00 H ÁTOMO 853 1HG1 XLE A 55 12.813 74.025 16.355 1.00 0.00 H ATCMO 854 2HG1 XLE A 55 14,341 74,014 15,420 1.00 0.00 H ATOMO 855 1BG2 ILB A 55 13.703 75.895 13.010 1.00 0.00 H ÁTOMO 856 2HG2 ILE A 55 14,181 77,375 13,855 1.00 0.00 B ÁTOMO 857 3HG2 XLB A 55 15,169 75,900 14,004 1.00 0.00 B ÁTOMO 858 1BD1 XLE A 55 12,528 72,482 14,547 1.00 0.00 B ATOMO 859 2BD1 ILE A 55 11,433 73,877 14,474 1.00 0.00 H ATOM 860 3HD1 ILB A 55 12,805 73,762 13,349 1.00 0.00 H ATOM 861 H VAL? 56 11.988 76.902 17.855 1.00 0.10 N ATOM 862 C? VAL A 56 11,128 76,559 18,942 l.QO 0.10 c ATOM 863 C VAL A 56 9,803 76,269 18,333 1.00 0.10 c ATCMO. 864 OR VAL A 56 9.483 76.775 17.259 1.00 0.10 or ATOM 865 CB VAL? 56 10,938 77,689 19,914 1.00 0.10 c ATOMOM 866 CGl VAL A 56 9.887 77.287 20.962 1.00 0.10 c ATOMO 867 CG2 VAL? 56 12,308 78,053 20,510 1.00 0.10 c ATOMO 868 H VAL A 56 11,643 77,623 17,244 1.00 0.00 H ATOM 869 H? VAL? 56 11,486 75,619 19,322 1.00 0.00 H ATOMO 870 BB VAL A 56 10,550 78,573 19,374 1.00 0.00 B ATCMO 871 1BG1 VAL A 56 10,078 77,797 21,922 1.00 0.00 B ATCMO 872 2HG1 VAL A 56 8.900 77.663 20.639 1.00 0.00 H ATOMO 873 3BG1 VAL? 56 9.712 76.240 21.212 1.00 0.00 B ATOM 874 1HG2 VAL? 56 12,215 78,754 21,355 1.00 0.00 H ATOM 875 2BG2 VAL A 56 12,874 77,183 20,866 1.00 0.00 H ATOMO 876 3HG2 VAL A 56 12.944 78.553 19.759 1.00 0.00 H ATOM 877 N? SH? 57 9,004 75,433 19,021 1.00 0.11 N ATOM 878 C? ? SN A 57 7,708 75,064 18,547 1.00 0.11 c ATOMUS 879 c? SN A 57 7,819 74. 611 17.129 1.00 0.11 c ATOM 880 0 ASN? 57 7.234 75.209 16.227 1.00 0.11 0 ATCMO 881 CB ASH? 57 6,662 76,188 18,634 1.00 0.11 c ATOMO 882 CG ASN A 57 5,291 75,545 18,470 1.00 0.11 c ATCMO 883 OD1? SN? 57 5,099 74,663 17,634 1.00 0.11 or ATOMO 884 ND2? SN? 57 4.310 75.986 19.303 1.00 0.11 N TOMO 885 B ASN? 57 9.360 74.950 19.839 1.00 0.00 B TCMO 886 B? SN? 57,598 74,194 19,108 1.00 0.00 H ATOMO 887 1HB? SN? 57 6,807 76,960 17,861 1.00 0.00 H ATOMO 888 2HB? SN A 57 6,743 76,690 19,613 1.00 0.00 H ATOM 889 1BD2? SH? 57 4,556 76,658 20,013 1.00 0.00 H ATOM 890 2HD2? SN? 57 3,546 75.3S8 19,482 1.00 0.00 H ATOM 891 N ALA A 58 8.603 73.540 16.895 1.00 0.21 N ATOMO 892 CA ALA A 58 8.722 73.047 15.556 1.00 0.21 c ATCMO 893 C ALA A 58 7.341 72. 692 15,120 1.00 0.21 c ATOMO 894 OR WING A 58,578 72,084 15,870 1.00 0.21 or ATCMO 895 CB WING A 58 9.596 71.785 15 .430 1.00 0.21 c ATOM 896 B ALA A 58 9,197 73,133 17. 613 1.00 0.00 B ATOMO 897 B? WING A 58 9.154 73.899 15.035 1.00 0.00 B ATOM 898 1HB WING A 58 9.729 71.530 14.369 1.00 0.00 B ATOM 899 2HB WING A 58 10,589 71,945 15,874 1.00 0.00 H ATOMO 900 3HB WING A 58 9.118 70.934 15.936 1.00 0.00 B ? TOMO 901 H LYS A 59 6,977 73,095 13. 889 1.00 0.31 N ATOM 902 C? LYS A 59 5.653 72.852 13.401 1.00 0.31 c TCMO 903 C LYS A 59 5,671 71,665 12,498 1.00 0.31 c ATCMO 904 OR LYS A 59 6.710 71.054 12.255 1.00 0.31 or ATOMO 905 CB LYS A 59 5,066 74,025 12,597 1.00 0.31 c ATCMO 906 CG LYS A 59 4.819 75.274 13.445 1.00 0.31 c ATOMO 907 CD LYS A 59 3.812 75.062 14.579 1.00 0.31 c ATCMO 908 CE LYS A 59 3.593 76.308 15.443 1.00 0.31 c ATOMO 909 HZ LYS A 59 2,607 76,020 16,509 1.00 0.31 H1 + ATOMO 910 H LYS A 59 7.667 73.S46 13.2B3 1.00 0.00 H ATCMO 911 H? LYS .A 59 4,994 72,593 14,243 1.00 0.00 H ATOM 912 1 HB LYS A 59 4,188 73,779 11,986 1.00 0.00 H ATOMO 913 2BB LYS A 59 5.917 74.358 11.995 1.00 0.00 H ÁTOMO 914 1HG LYS A 59 4,449 76,103 12,824 1.00 0.00 H ? TOMO 915 2HG LYS A 59 5,784 75. 617 13,863 1.00 0.00 H ATCMO 916 1HD LYS A 59. 4,154 74,242 15,231 1.00 0.00 K ATOMO 917 2BD LYS A 59 2,851 74,742 14,138 1.00 0.00 H ATOMO 918 1BE LYS A 59 3.202 77. 149 14.846 1.00 0.00 H TCMO 919 2 HE LYS A 59 4.527 76. 641 15.925 1.00 0.00 H ATCMO 920 1BZ LYS A 59 2.435 76.829 17.091 1.00 0.00 H ATCMO 921 2BZ LYS A S9 1,719 75,717 16,136 1.00 0.00 H ATCMO 922 3BZ LYS A 59 2.973 75.299 17.120 1.00 0.00 H ATCMO 923 H PHE A 60 4,477 71,314 11,983 1.00 0.23 N ATOM 924 C? FHE A 60 4,318 70,228 11,063 1.00 0.23 C ATOM 925 C PHE? 60 5,095 70,579 9,839 1.00 0.23 c ATOM 926 OR PHE? 60 5.704 69.726 9.197 1.00 0.23 or ATCMO 927 CB PHB? 60 2,858 70,016 10,632 1.00 0.23 c ATOMO 928 CG PHE? 60 2,873 69,034 9,510 1.00 0.23 c ATOM 929 CDl FHE? 60 2.961 67.682 9.748 1.00 0.23 c ATOM 930 CD2 PHE? 60 2,798 69,475 8,208 1.00 0.23 c ATCMO 931 CEI PHE? 60 2.977 66.787 8.705 1.00 0.23 c ATOM 932 CE2 FHE? 60 2,813 68,584 7,161 1.00 0.23 c ATOMO 933 CZ PHB? 60 2,902 67,236 7,409 1.00 0.23 c ATOM 934 H PHE? 60 3.633 71.764 12.295 1.00 0.00 B ATOM 935 H? PHE A 60 4,520 69,253 11,406 1.00 0.00 H ATCMO 936 1HB PHB A 60 2.378 70.957 10.321 1.00 0.00 H ATOM 937 2BB PHE A 60 2,278 69,639 11,490 1.00 0.00 B ATOM 938 HD1 PHE A 60 3,027 67,313 10,769 1.00 0.00 H ? TOMO 939 BD2 PBE A 60 2,735 70,540 7,999 1.00 0.00 H TCMO 940 HE1 FHE? 60 3.056 65.721 8.908 1.00 0.00 H ATOMO 941 HE2 PHB? 60 2,763 68,947 6,138 1.00 0.00 H ATOM 942 HZ PHB? 60 2.922 66.528 6.584 1.00 0.00 H ATOMO 943 N GLU? 61 5,095 71,879 9,508 1.00 0.15 N TCMO 944 C? GLU? 61 5.748 72.420 8.354 1.00 0.15 C ATCMO 945 c GLU? 61 7.218 72.152 8.459 1.00 0.15 C ATOM 946 or GLU? 61 7,889 71,928 7,454 1.00 0.15 0 ATOM 947 CB GLU? 61,528 73,936 8,259 1.00 0.15 c ATOM 948 CG GLU A 61 5,975 74,676 9,522 1.00 0.15 c ATOM 949 CD GLU? 61 5,349 76,063 9,510 1.00 0.15 c ATOMO 950 OEl GLU? 61 5.260 76.667 8.408 1.00 0.15 0? TOMO 951 OB2 GLO? 61,938 76,533 10,605 1.00 0.15 01 ATOMO 952 H GLU? 61 4,636 72,552 10,097 1.00 0.00 B ATCMO 953 H? GLU? 61 5,382 71,916 7,445 1.00 0.00 H ATOM 954 1HB GLU? 61 4,456 7,129 8,074 1.00 0.00 H TOMO 955 2BB GLO? 61 6.074 74.289 7.366 1.00 0.00 B ATOM 956 1BG GLU? 61 7.066 74.750 9.599 1.00 0.00 H ATOM 957 2HG GLU? 61,559 74,098 10,323 1.00 0.00 H ATOMO 958 H ASP A 62 7,751 72,147 9.694 1.00 0.16 N ? TOMO 959 C? ? SP A 62 9.160 71.997 9.932 1.00 0.16 C ATOM 960 C ASP A 62 9,664 70,682 9,421 1.00 0.16 C ATOM 961 O? SP? 62 10,828 70,586 9,041 1.00 0.16 0 ATCMO 962 CB ASP? 62 9.539 72.120 11.419 1.00 0.16 c ATOMO 963 CG ASP A 62 9,413 73,590 11.797 1.00 0.16 c ATOMO 964 OD1 ASP A 62 9.136 74.412 10.883 1.00 0.16 0 ATOM 965 OD2 ASP? 62 9.605 73.914 13.000 1.00 0.16 01- ATOMO 966 H ASP? 62 7.202 72.371 10.507 1.00 0.00 a ATOM 967 B? ? SP? 62 9.712 72.751 9.343 1.00 0.00 B ATOMO 968 1BB? SP? 62 10.604 71.848 11.527 1.00 0.00 B ATOMO 969 2BB ASP A 62 9,012 71,445 12,095 1.00 0.00 B ATOMO 970 N SER A 63 8. B32 69,622 9,415 1.00 0.20 N ATOMO 971 CA SER A 63 9.308 68.342 8.962 1.00 0.20 c ATOM 972 C SER? 63 9. B69 68,484 7.579 1.00 0.20 c ATCMO 973 OR BE? 63 9,321 69,189 6,734 1.00 0.20 0 ATOMO 974 CB SER A 63 8.213 67.262 8.921 1.00 0.20 c ATOM 975 OG SER A 63 7,222 67,611 7,966 1.00 0.20 0 ATCMO 976 B SER A 63 7,856 69,781 9,622 1.00 0.00 B ATCMO 977 BA SBR A 63 10,093 68,029 9.673 1.00 0.00 B ATOMO 978 1BB SER A 63 7.772 67.106 9.916 1.00 0.00 B ATOM 979 2HB SER A 63 8,648 66,313 8,584 1.00 0.00 B ATOMO 980 HG SER A 63 6.731 68.382 8.306 1.00 0.00 H ATOMO 981 H GLY? 64 11,016 67,816 7,328 1.00 0.22 H ATOM 982 C? GL -A 64 11,651 67,892 6,044 1.00 0.22 C ATOM 983 C GLY? 64 13,081 67,501 6,233 1.00 0.22 C ATOM 984 OR GLY? 64 13,461 66,997 7,288 1.00 0.22 O ATOMO 985 H GLY A 64 11,410 67,173 8,006 1.00 0.00 H ATCMO 986 IH? GLY A 64 11,494 68,851 5,553 1.00 0.00 B ATOM 987 2 HA GLY? 64 - 11,200 67,149 5,359 1.00 0.00 B ATOM 988 H GLU? 65 13.918 67.728 5.199 1.00 0.19 N ATOM 989 CA GLU? 65 15.307 67.383 5.302 1.00 0.19 C ATOMO 990 C GLU? 65 16,074 68,644 5,515 1.00 0.19 C ATOMO 991 OR GLU A 65 1S .711 69.702 5.000 1.00 0.19 0 ATCMO 992 CB GLU? 65 15,910 66,744 4,040 1.00 0.19 C ATOMO 993 CG GLO? 65 15.403 65.337 3.730 1.00 0.19 C ATOM 994 CD GLU A 65 16,200 64,821 2,539 1.00 0.19 ATOM 995 OEl GLO? 65 16.409 65.606 1.575 1.00 0.19 0 ATCMO 996 OE2 GLU? 65 16,625 63,635 2,584 1.00 0.19 01- ATOMO 997 H GLU? 65 13,592 68,118 4,323 1.00 0.00 B ATOM 998 HA GLO? 65 15,418 66,667 6,112 1.00 0.00 B TCMO 999 1HB GLO? 65 16,996 66,696 4,211 1.00 0.00 a ATOMO 1000 2BB GLO? 65 1S.743 67.417 3.182 1.00 0.00 B ATCMO 1001 1HG GLU? 65 14,334 65,361 3,473 1.00 0.00 B ATOM 1002 2HG GLU? 65 1S.S76 64,670 4,587 1.00 0.00 B ATOM 1003 N TYR? 66 17,164 68,560 6,304 1.00 0.22 N ATOM 1004 CA TYR? 66 17,970 69,718 6,549 1.00 0.22 C TCMO 1005 C TYR? 66 19,342 69,441 6,020 1.00 0.22 C TCMO 1006 0 TYR? 66 19,839 68,318 6,099 1.00 0.22 O TCMO 1007 CB TYR? 66 18.124 70.071 8.040 1.00 0.22 C TCMO 1008 CG TYR? 66 16,782 70,448 8,567 1.00 0.22 c ATOM 1009 CDl TYR? 66 15,918 69,482 9,033 1.00 0.22 C ATOM 1010 CD2 TYR? 66 16,382 71,764 8,592 1.00 0.22 c TCMO 1011 CEI TYR? 66 14,679 69,825 9,522 1.00 0.22 c ATCMO 1012 CE2 TYR? 66 15,144 72,114 9,078 1.00 0.22 c ATOMO 1013 CZ TYR? 66 14,291 71,143 9,544 1.00 0.22 c ATOMO 1014 OH TYR? 66 13,021 71,499 10,044 1.00 0.22 or TCMO 1015 H TYR? 66 17,342 67,720 6,847 1.00 0.00 H TCMO 1016 H? TYR? 66 17,532 70,591 6,047 1.00 0.00 H ATCMO 1017 1HB TYR? 66 18.806 70.937 8.084 1.00 0.00 H ATOM 1018 2HB TYR? 66 18,599 69,314 8,651 1.00 0.00 H ATCMO 1019 HD1 TYR A 66 16,191 68,433 9,006 1.00 0.00 H ATOMO 1020 HD2 TYR A 66 17,046 72,541 8.220 1.00 0.00 H ATOMO 1021 HE1 TYR A 66 13,997 69,066 9,847 1.00 0.00 H ATOM 1022 HE2 TYR A 66 14,837 73,158 9,089 1.00 0.00 H ATOMO 1023 BB TYR A 66 12,339 71,120 9,464 1.00 0.00 H ATCMO 1024 N LYS A 67 19,979 70,475 5.440 1.00 0.45 N ATOMO 1025 C? LYS A 67 21,299 70,333 4,900 1.00 0.45 C ATOMO 1026 c LYS A 67 22,038 71,587 5,238 1.00 0.45 C ATOM 1027 or LYS A 67 21,429 72,627 5,482 1.00 0.4S OR ATCMO 1028 CB LYS A 67 21.302 70.211 3.371 1.00 0.45 c ATOMO 1029 CG LYS A 67 20,591 68,953 2,871 1.00 0.45 c ATCMO 1030 CD LYS? 67 20,205 69,019 1,394 1.00 0.45 c ATOMO 1031 CE LYS? 67 18.982 69.902 1.129 1.00 0.45 c TCMO 1032 NZ LYS? 67 17.786 69.303 1.761 1.00 0.45 N1 + ATCMO 1033 B LYS? 67 19,577 71,404 5,412 1.00 0.00 H ATOM 1034 H? LYS? 67 21,802 69,466 5,361 1.00 0.00 H ATOM 1035 - W? LYS? 67 22,349 70,191 3,016 1.00 0.00 H TCMO 1036 2HB LYS? 67 20,856 71,125 2,952 1.00 0.00 H TCMO 1037 1HG LYS? 67 19,696 68,714 3,468 1.00 0.00 B ATCMO 1038 2HG LYS? 67 21,325 68,161 3,088 1.00 0.00 B ATOM 1039 1HD LYS? 67 19.999 68.030 0.954 1.00 0.00 H ATOMO 1040 2BD LYS? 67 21,053 69,426 0.812 1.00 0.00 B ATCMO 1041 1HB LYS? 67 18,775 69,982 0.049 1.00 0.00 B ATOM 1042 2HE LYS? 67 19,096 70,919 1,529 1.00 0.00 H ATOM 1043 1BZ LYS? 67 16,927 69,761 1,486 1.00 0.00 H ATOM 1044 2HZ LYS? 67 17,669 68,327 1,501 1.00 0.00 H ATOM 1045 3HZ LYS? 67 17,829 69,331 2,772 1.00 0.00 B ATOM 1046 N CYS? 68 23,383 71,512 5,281 1.00 0.52 N ATOM 1047 C? CYS? 68 24,163 72,670 5,606 1.00 0.52 C ATOM 1048 c CYS? 68 25,428 72,644. 4.811 1.00 0.52 C ATOMO 1049 or CYS? 68 25,970 71,578 4,524 1.00 0.52 O ATCMO 1050 CB CYS? 68 24,621 72,687 7,065 1.00 0.52 c ATOM 1051 SG CYS? 68 25.956 73.B85 7.311 1.00 0.52 s ATOMO 1052 H CYS? 68 23.896 70.694 5.003 1.00 0.00 H ATCMO 1053 H? CYS.A 68 23,591 73,579 5,374 1.00 0.00 B ÁTOMO 1054 1HB CYS A 68 24,992 71,688 7,349 1.00 0.00 H ATOM 1055 2HB CYS A 68 23.803 72.945 7.724 1.00 0.00 H ? TOMO 1056 N GLN A 69 25,931 73.B32 4,420 1.00 0.27 N ATCMO 1057 C? GLN A 69 27,206 73,865 3,771 1.00 0.27 C ATCMO 1058 c GLN? 69 .27.926 75.086 4.234 1.00 0.27 C ATOM 1059 or GLN A 69 27,323 76,038 4,727 1.00 0.27 O ATCMO 1060 CB GLN A 69 27,150 73,939 2,237 1.00 0.27 c ATCMO 1061 CG GLN A 69 26,530 75,227 1,700 1.00 0.27 c TCMO 1062 CD GLN A 69 26,687 75,210 0.186 1.00 0.27 c ATOM 1063 O GLN A 69 27,435 74,400 -0,360 1.00 0.27 or ATOM 1064 NE2 GLN A 69 25,967 76,130 -0,511 1.00 0.27 N ATOM 1065 H GLN A 69 25,524 74,715 4,697 1.00 0.00 H ATOM 1066 BA GLH? 69 27.798 72.992 4.081 1.00 0.00 H ATCMO 1067 1BB GLN? 69 26,598 73,064 1,859 1.00 0.00 | H ATOM 1068 2BB GLH? 69 28,189 73,841 1,876 1.00 0.00 H ATOMO 1069 1HG GLN A 69 27,185 76,031 2,029 1.00 0.00 H ATOM 1070 2BG GLH A 69 25,497 75,374 2,036 1.00 0.00 H ATOM 1071 1HE2 GLH? 69 25,234 76,647 -0,068 1.00 0.00 H ATOMO 1072 2BE2 GLH A 69 25,927 75,922 -1,496 1.00 0.00 H TCMO 1073 H BIS A 70 29,263 75,063 4,102 1.00 0.11 N TCMO 1074 CA HXS A 70 30,076 76,188 4,443 1.00 0.11 c ATOM 1075 C BIS? 70 30,899 76,470 3,237 1.00 0.11 c TCMO 1076 OR BIS? 70 30,877 75,716 2.26 1.00 0.11 or TOMO 1077 CB HXS? 70 31,043 75,946 5,612 1.00 0.11 c ATOM 1078 CG BIS? 70 30,339 75,869 6,930 1.00 0.11 c TCMO 1079 ND1 BIS? 70 29,937 76,975 7. 646 1.00 0.11 N TOMO 1080 CD2 BIS? 70 29.953 74.791 7.664 1.00 0.11 c ? TOMO 1081 CEI HIS A 70 29,331 76,515 B .768 1.00 0.11 c ATCMO 1082 NE2 HXS A 70 29,316 75,195 8,824 1.00 0.11 N ÁTOMO 1083 H BIS A 70 29,699 74,376 3,501 1.00 0.00 H ATOMO 1084 H? BIS A 70 29,447 77,067 4,660 1.00 0.00 H ? TCMO 1085? Wtt BIS A 70 31.767 76.777 5.657 1.00 0.00 H? VOLUME 1086 2HB BIS TO 70 31,637 75,036 5.471 00 0.00 H ATCMO 1087 BD2 BIS A 70 30,099 73,743 7,447 00 0.00 H ATOMO 1088 BEI BIS A 70 29,020 77,159 9.580 00 0.00 H ATOM 1089 HE2 BIS A 70 29,016 74,625 9,592 00 0.00 H ATOM 1090 H GLH A 71 31,625 77,600 3,251 00 0.12 N TCMO 1091 C? GLH A 71 32,441 77,912 2,121 00 0.12 c ATOMO 1092 C GLH A 71 33,468 76,834 2,009, 00 0.12 c ATOM 1093 or GLN A 71 33,753 76,341 0.920 .00 0.12 or ATOM 1094 CB GLN A 71 33,197 79,243 2,276, 00 0.12 c TCMO 1095 CG GLN? 71 32.304 80.487 2.279 1.00 0.12 c ATOM 1096 CD GLN? 71 31,895 80,783 0.843 1.00 0.12 c ATCMO 1097 OBI GLN? 71 32.123 79.983 -0.063 1.00 0.12 or ATOM 1098 NB2 GLH? 71 31,272 81,970 0.623 1.00 0.12 N? VOLUME 1099 H GLH? 71 31,670 78,217 4,051 1.00 0.00 H I TAKE 1100 H? GLH? 71 31,834 77,889 1,204 1.00 0.00 B ATCMO 1101 1HB GLH? 71 33,962 79,321 1,481 1.00 0.00 B TOMO 1102 2BB GLH? 71 33.758 79.212 3.225 1.00 0.00 H ATOM 1103 1BG GLH? 71 32,874 81,347 2,668 1.00 0.00 H ATOMO 1104 2BG GLN? 71 31,411 80,332 2,901 1.00 0.00 H ATOM 1105 1HP.2 GLH? 71 31.126 82.615 1.391 1.00 0.00 H ATOM 1106 2HE2 GLH? 71 31,056 82,232 -0,322 1.00 0.00 B TCMO 1107 N GLN? 72 34,046 76,440 3,157 1.00 0.21 N ATOM 1108 C? GLN? 72 35,117 75,489 3,188 1.00 0.21 c ATOMO 1109 c GLN? 72 34,660 74,129 2,761 1.00 0.21 c ATOM 1110 or GLN? 72 35.308 73.483 1.940 1.00 0.21 or ÁTOMO llll CB GLN? 72 35,698 75,320 4,602 1.00 0.21 c ATOM 1112 CG GLN? 72 36.104 76.644 5.252 1.00 0.21 c TOMO 1113 CD GLN? 72 37,057 77,372 4,316 1.00 0.21 c TOMO 1114 OEl GLN? 72 37,630 76,784 3,400 1.00 0.21 or TOMO 1115 HE2 GLN? 72 37,224 78,701 4,547 1.00 0.21 N TCMO 1116 H GLN? 72 33.776 76.855 4.029 1.00 0.00 B ATCMO 1117 H? GLN? 72 35.857 75.781 2.433 1.00 0.00 H ATOMO 1118 1HB GLH? 72 36,568 74,648 4,507 1.00 0.00 B ATOM 11192BB GLH? 72 34.952 74.810 5.225 1.00 0.00 B ATOM 1120 1HG GLN? 72 36,614 76,561 6,211 1.00 0.00 B ATCMO 11212HG GLN? 72 35,212 77,270 5,418 1.00 0.00 B ATCMO 1122 1HE2 GLN? 72 36,792 79,141 5,341 1.00 0.00 B ATOMO 1123 2HE2 GLN? 72 37,891 79,177 3,967 1.00 0.00 H ATCMO 1124 H VAL.A 73 33,516 73,660 3,298 1.00 0.31 N ATOM 1125 C? VAL A 73 33,130 72,297 3,072 1.00 0.31 C ATCMO 1126 C VAL A 73 32,145 72,164 1,959 1.00 0.31 c ATOM 1127 OR VAL A 73 31,658 73,139 1.3B8 1.00 0.31 or ÁTOMO 1128 CB VAL A 73 32,521 71,650 4,283 1.00 0.31 c TCMO 1129 CGl VAL A 73 33,583 71,602 5,395 1.00 0.31 c ATOM 1130 CG2 VAL A 73 31,247 72,424 4,666 1.00 0.31 c ÁTOMO 1131 H VAL A 73 32.902 74.241 3.836 1.00 0.00 H ATCMO 1132 B? VAL? 73 34,032 71,730 2,786 1.00 0.00 H ATCMO 1133 BB VAL A 73 32,166 70,641 4,101 1.00 0.00 H ATCMO 1134 1HG1 VAL A 73 33,219 71,046 6,275 1.00 0.00 B ? TCMO 11352HG1 VAL A 73 34.505 71.104 5.053 1.00 0.00 B ÁTOMO 11363HG1 VAL A 73 33,855 72,612 5,740 1.00 0.00 H? VOLUME 1137 1BG2 VAL? 73 31,260 72,697 5,729 1.00 0.00 H ATOMO 1138 2BG2 VAL? 73 31,174 73,376 4,129 1.00 0.00 H ATOMO 1139 3HG2 VAL? 73 30,331 71,901 4,407 1.00 0.00 B ATOM 1140 N? SN? 74 31.857 70.887 1.634 1.00 0.41 N ATOM 1141 C? SN? 74 30,932 70,453 0.630 1.00 0.41 C TCMO 1142 c? SN? 74 29,580 70,504 1,270 1.00 0.41 c ATCMO 1143 0? SN? 74 29.409 71.115 2.322 1.00 0.41 0 ? TOMO 1144 CB ASH A 74 31,202 68,997 0.200 1.00 0.41 c TCMO 1145 CG ASH? 74 30,458 68,687 -1,090 1.00 0.41 c ATOMO 1146 OD1? SH? 74 29,812 69,553 -1,676 1.00 0.41 or ATOMO 1147 ND2? SN? 74 30,542 67,407 -1,542 1.00 0.41 N ATCMO .1148 B? SN? 74 32,331 70,149 2,145 1.00 0.00 H ATOM 1149 B? SH? 74 30,976 71,153 -0,222 1.00 0.00 B ATOM 1150 1HB SN? 74 30,921 68,305 1,004 1.00 0.00 B ATOM 1151 2HB ASN? 74 32,278 68,864 -0.003 1.00 0.00 H ÁTOMO 1152 1HD2? SN A 74 30.976 66.687 -0.997 1.00 0.00 H TOMO 1153 2BD2? SH? 74 29,971 67,179 -2,339 1.00 0.00 H TCMO 1154 N GLO? 75 28,567 69,896 0.622 1.00 0.48 N ATOMO 1155 C? GLO? 75 27,249 69,863 1,180 1.00 0.48 C ATOMO 1156 C GLO? 75 27,241 68,797 2,228 1.00 0.48 C TOMO 1157 OR GLO? 75 27,925 67,781 2,100 1.00 0.48 or ? TOMO 1158 CB GLU A 75 26,170 69,500 0.145 1.00 0.48 c ÁTOMO 1159 CG GLU A 75 26,047 70,526 -0.982 1.00 0.48 c ÁTOMO 1160 CD GLU A 75 25,367 71,763 -0,418 1.00 0.48 c ÁTOMO 1161 OEl GLO A 75 24,699 71,637 0.643 1.00 0.48 0 ÁTOMO 1162 OE2 GLO A 75 25.503 72.851 -1.039 1.00 0.48 Ol ATOM 1163 B GLU? 75 28,657 69,614 -0,346 1.00 0.00 H ATOM 1164 B? GLO A 75 27,017 70,847 1,621 1.00 0.00 H ATOMO 1165 1BB GLU A 75 25,207 69,347 0.665 1.00 0.00 B ATOM 1166 2HB GLU? 75 26,423 68,509 -0,272 1.00 0.00 H TCMO 1167 1HG GLU? 75 25,416 70,134 -1.797 1.00 0.00 B ATCMO 1168 2BG GLU? 75 27,009 70,787 -1,450 1.00 0.00 B ATOM 1169 H BE? 76 26,469 69,018 3,309 1.00 0.42 N ATOM 1170 C? BE ? 76 26,382 68,066 4,377 1.00 0.42 C ATOMO 1171 C SER? 76 25,336 67,064 4,009 1.00 0.42 C TCMO 1172 OR BE? 76 24.507 67.313 3.136 1.00 0.42 O? TOMO 1173 CB SBR? 76 25.956 68.704 5.710 1.00 0.42 c ATOM 1174 OG SER? 76 25,873 67,713 6,720 1.00 0.42 0 ATOM 1175 H BE? 76 26,027 69,921 3,444 1.00 0.00 H ATOMO 1176 H? SBR? 76 27,347 67,548 4,497 1.00 0.00 H ATOM 1177 1HB SER? 76 24,918 69,048 5,529 1.00 0.00 B ÁTOMO 1178 2HB SER A 76 26,368 69,600 6,179 1.00 0.00 B ATCMO 1179 HG SBR? 76 25,075 67,185 6,523 1.00 0.00 B ÁTOMO 1180 H GLU A 77 25,365 65,881 4,660 1.00 0.31 H ATOM 1181 C? GLO? 77 24,357 64,903 4,380 1.00 0.31 C ATOM 1182 C GLO? 77 23.106 65.426 4.998 1.00 0.31 c ATCMO 1183 OR GLU? 77 23,138 66,145 5,994 1.00 0.31 or ATOM 1184 CB GLU? 77 24,596 63,527 5,023 1.00 0.31 c TOMO 1185 CG GLO? 77 25,878 62,834 4,571 1.00 0.31 c TCMO 1186 CD GLU? 77 26,987 63,328 5,483 1.00 0.31 c ATCMO 1187 OBI GLU? 77 26.707 63.507 6.699 1.00 0.31 or ATOMO 1188 OE2 GLO? 77 28.123 63.535 4.981 1.00 0.31 Ol- ATOM 1189 H GLU? 77 26.107 65.592 5.291 1.00 0.00 B ATOM 1190 H? GLU? 77 24,351 64,725 3,293 1.00 0.00 B ATOMO 1191 1HB GLU? 77 23,730 62,916 4,704 1.00 0.00 H ATCMO 1192 2HB GLU? 77 24,496 63,579 6,121 1.00 0.00 H TOMO 1193 1HG GLU? 77 26.103 63,000 3.506 1.00 0.00 H ? TCMO 1194 2BG GLO? 77 25,778 61,745 4,715 1.00 0.00 B ATOM 1195 H PRO? 78 22,004 65,094 4,398 1.00 0.29 H TCMO 1196 C? Pro'? 78 20,764 65,579 4,932 1.00 0.29 C ATOM 1197 c PRO? 78 20,323 64,843 6,154 1.00 0.29 c ATOM 1198 0 PRO? 78 20,684 63,679 6,323 1.00 0.29 0 ATOM 1199 CB PRO? 78 19.756 65.509 3.788 1.00 0.29 c ATOMO 1200 CG PRO? 78 .20.627 65.643 2.527 1.00 0.29 c ATOMO 1201 CD PRO A 78 21.979 65.042 2.944 1.00 0.29 c ATOM 1202 B? PRO A 78 20.930 66.637 5.154 1.00 0.00 B ? TCMO 1203 1BB PRO? 78 18,975 66,271 3,881 1.00 0.00 H ATOM 1204 2BB PRO? 78 19,253 64,526 3,777 1.00 0.00 H TCMO 1205 1BG PRO? 78 20,743 66,647 2,155 1.00 0.00 H ATOM 1206 2HG PRO? 78 20,192 6,085 1,679 1.00 0.00 H ATOM 1207 1BD PRO? 78 22,062 63,992 2,622 1.00 0.00 B ATOM 1208 2HD PRO? 78 22.791 65.613 2.482 1.00 0.00 B ATOM 1209 H VAL? 79 19,557 65,529 7,022 1.00 0.31 N ATOMO 1210 CA VAL A 79 18.978 64.935 8.187 1.00 0.31 c ÁTOMO 1211 c VAL A 79 17.507 65.106 8.006 1.00 0.31 c ? TOMO 1212 0 VAL A 79 17,055 66,173 7.S93 1.00 0.31 0 TOMO 1213 CB VAL? 79 19,362 65,618 9,465 1.00 0.31 c ÁTOMO 1214 CGl VAL A 79 18.925 67.090 9.386 1.00 0.31 c ATOM 1215 CG2 VAL? 79 18,732 64,848 10,638 1.00 0.31 c TCMO 1216 H VAL A 79 19,361 66,506 6,860 1.00 0.00 B ATOM 1217 H? VAL A 79 19,257 63,869 8,216 1.00 0.00 B ATOM 1218 HB VAL? 79 20,462 65,577 9,567 1.00 0.00 H ATOMO -1219 1HG1 VAL? 79 19,391 67,661 10,210 1.00 0.00 H ATCMO 1220 2HG1 VAL? 79 19,283 67,547 8,460 1.00 0.00 H ATOM 1221 3HG1 VAL? 79 17,846 67,223 9,523 1.00 0.00 H ATOMO 1222 1HG2 VAL A 79 19,088 65,237 11,607 1.00 0.00 H ATOM 1223 2BG2 VAL? 79 17,634 64,939 10,652 1.00 0.00 H ATOMO 1224 3HG2 VAL A 79 18.990 63.776 10.606 1.00 0.00 H ATCMO 1225 H TYR? 80 16.709 64.061 8.294 1.00 0.19 N ATOM 1226 C? TYR? 80 15.305 64.228 8.067 1.00 0.19 c ATOM 1227 c TYR? 80 14,649 64,401 9,394 1.00 0.19 c ATOMO 1228 0 TYR? 80 14.925 63.669 10.343 1.00 0.19 0 ATOMO 1229 CB TYR? 80 14,628 63,040 7,359 1.00 0.19 c ATOM 1230 CG TYR? 80 13,244 63,476 7,018 1.00 0.19 c ATOMO 1231 CDl TYR? 80 12,214 63,344 7,921 1.00 0.19 c ATOMO 1232 CD2 TYR? 80 12,983 64,029 5,785 1.00 0.19 c ATCMO 1233 CBl TYR? 80 10,942 63,754 7,597 1.00 0.19 c ATCMO 1234 CB2 TYR? 80 11.714 64.441 5.454 1.00 0.19 c ÁTOMO 1235 CZ TYR A 80 10,692 64,301 6,360 1.00 0.19 c ATOMO 1236 OH TYR A 80 9.387 64.723 6.025 1.00 0.19 or ATOMO 1237 H TYR A 80 17,008 63,184 8,683 1.00 0.00 H ATOMO 1238 HA TYR A 80 15,134 65,090 7,415 1.00 0.00 H ATCMO 1239 1HB TYR A 80 14,633 62,141 7,994 1.00 0.00 H ATCMO 1240 2HB TYR A 80 15,197 62,785 6,450 1.00 0.00 B ? TOMO 1241 HDl TYR A 80 12,423 62,901 8,890 1.00 0.00 B ? TOMO 1242 BD2 TYR A 80 13.756 64.049 5.036 1.00 0.00 H ATCMO 1243 HE1 TYR? 80 10,137 63,698 8,310 1.00 0.00 H ATOM 1244 HE2 TYR A 80 11,519 64,850 4,465 1.00 0.00 H ATCMO 1245 HH TYR A 80 8.972 65.029 6.840 1.00 0.00 H ATOMO 1246 N LEU A 81 13,760 65,406 9,490 1.00 0.08 N ATOM 1247 C? LEU A 81 13,094 65,671 10,729 1.00 0.08 C ATOM 1248 c LEU A 81 11,635 65,423 10,529 1.00 0.08 C ATOM 1249 or LEU? 81 11,076 65,757 9,485 1.00 0.08 0 ATOMO 1250 CB LEO? 81 13.2S0 67,130 11,191 1.00 0.08 c ATCMO 1251 CG LEO? 81 12,542 67,437 12,522 1.00 0.08 c ATCMO 1252 CDl LEO A 81 13,157 66,632 13,678 1.00 0.08 c ATCMO 1253 CD2 LEU A 81 12,505 68,948 12,800 1.00 0.08 c ATCMO 1254 H LEU A 81 13,531 65,997 8.697 1.00 0.00 H ? TOMO 1255 B? LEU A 81 13,489 64,991 11,494 1.00 0.00 B ATOM 1256 1BB LEU A 81 12,768 67,742 10,414 1.00 0.00 R ATOMO 1257 2HB LEU A 81 14,319 67,393 11,257 1.00 0.00 H ATCMO 1258 HG LEU A 81 11,483 67,141 12,421 1.00 0.00 H ATOMO 12S9 1HD1 LEU? 81 12,405 66,346 14,427 1.00 0.00 H ATOM 1260 2BD1 LEU A 81 13,691 65,731 13,359 1.00 0.00 H ATOM 1261 3HD1 LEU-A 81 13,915 67,235 14.207 1.00 0.00 H ÁTOMO 1262 1HD2 LEU A 81 11,952 69,171 13,726 1.00 0.00 H ATOMO 1263 2HD2 LEU A 81 13,519 69,368 12,903 1.00 0.00 H ATCMO 1264 3HD2 LEU? 81 12,001 69,489 11,981 1.00 0.00 H ÁTOMO 1265 N GLU A 82 10,987 64,798 11,529 1.00 0.09 N ATCMO 1266 C? GLU.A 82 9.582 64.537 11.444 1.00 0.09 C ATOMO 1267 c GLO? 82 8,969 65,149 12,660 1.00 0.09 C TOMO 1268 0 GLU? 82 9,443 64,940 13,976 1.00 0.09 0 ATCMO 1269 CB GLU? 82 9.250 63.035 11.486 1.00 0.09 c ATOM 1270 CG GLU? 82 9.774 62.251 10.282 1.00 0.09 c ATOM 1271 CD GLU? 82 • • 9,587 60,767 10,568 1.00 0.09 c ATOM 1272 OBI GLU A 82 8,557 60,408 11,201 1.00 0.09 0 ATOM 1273 OBZ GLU A 82 10,477 59,972 10,166 1.00 0.09 01 TCMO 1274 H GLU A 82 11,437 64,495 12,385 1.00 0.00 H ATCMO 1275 B? GLU? 82 9.165 64.964 10.521 1.00 0.00 B ATOMO 1276 1BB GLU? 82 8.149 62.967 11.523 1.00 0.00 B TOMO 1277 2HB GLU? 82 9.643 62,600 12,420 1.00 0.00 H TOMO 1278 1BG GLU? 82 10.829 62.451 10.073 1.00 0.00 H ATCMO 12792BG GLO? 82 9.148 62.474 9.408 1.00 0.00 H ATOM 1280 N VAL A 83 7,896 65,936 12,476 1.00 0.09 N ATCMO 1281 C? VAL A 83 7.263 66.538 13.611 1.00 0.09 C ATOM 1282 C VAL A 83 5,907 65,928 13,711 1.00 0.09 C ATONO 1283 OR VAL A 83 5.239 65.720 12.700 1.00 0.09 O TCMO 1284 CB VAL A 83 7,069 68,016 13,470 1.00 0.09 c ? TOMO 1285 CGl VAL A 83 8.451 68.684 13.377 1.00 0.09 c ATOM 1286 CG2 VAL A 83 6,170 68,268 12,250 1.00 0.09 c ATOMO 1287 B VAL? 83 7.390 65.999 11.611 1.00 0.00 H ATONO 1288 B? VAL? 83 7,846 66,346 14,521 1.00 0.00 H ATOM 1289 HB VAL A 83 6.558 68.385 14.379 1.00 0.00 B ÁTOMO 1290 1BG1 VAL A 83 8.397 69.772 13.515 1.00 0.00 H ATOM 1291 2HG1 VAL? 83 9.130 68.308 14.159 1.00 0.00 B ATOMO 1292 3HG1 VAL A 83 8.933 68.497 12.403 1.00 0.00 B ATOMO 1293 1HG2 VAL A 83 6.508 69.061 11.601 1.00 0.00 H ATOM 1294 2BG2 VAL A 83 6.129 67.447 11.520 1.00 0.00 H ? TOMO 1295 3BG2 VAL A 83 5.180 68.342 12.716 1.00 0.00 H TCMO 1296 H PHE A 84 5.469 65.606 14.943 1.00 0.23 H ATOM 1297 C? PBE A 84 4,182 64,994 15,076 1.00 0.23 C ATOM 1298 C PHE A 84 3,459 65,747 16,138 1.00 0.23 c ATOM 1299 OR PHE? 84 4,077 66,424 16,995 1.00 0.23 0 TOMO 1300 CB PBE? 84 4.229 63.552 15.606 1.00 0.23 c ? TOMO 1301 CG FHE A 84 5.215 62.773 14.810 1.00 0.23 c ATOM 1302 CDl PHE A 84 4,889 62,234 13,590 1.00 0.23 c ATOM 1303 CD2 PHE? 84 6,487 62,595 15,293 1.00 0.23 c ATOM 1304 CEI PHE? 84 5,814 61,522 12.B65 1.00 0.23 c ATCMO 1305 CE2 PHE? 84 7.414 61.883 14.572 1.00 0.23 c ATOM 1306 CZ PHE? B4 7.081 61.341 13.357 1.00 0.23 c ATOM 1307 B PHB? 84 6.045 65.661 15.777 1.00 0.00 H TCMO 1308 HA PHE? 84 3.619 65.035 14.132 1.00 0.00 H TOMO 1309 IHfr PHB? 84 3,221 63,109 15,548 1.00 0.00 H TCMO 1310 2HB PHE? 84 4,503 63,548 16,673 1.00 0.00 H ATOM 1311 HDL PHE? 84 3,881 62,359 13,203 1.00 0.00 H ATOM 1312 BD2 FHE? 84 6,776 63,092 16,211 1.00 0.00 H ATOM 1313 HE1 PHE? 84 5.532 61.066 11.919 1.00 0.00 H ATOMO 1314 HE2 PHE? 84,434 62,194 14,641 1.00 0.00 H TCMO 1315 HZ PHE A 84 7.738 60.588 13.011 1.00 0.00 H TCMO 1316 H BE? 85 2,115 65,679 16,131 1.00 0.34 N ATOM 1317 CA SBR? 85 1.395 66.292 17.204 1.00 0.34 C ATOMO 1318 C SER A 85 0.673 65.190 17.915 1.00 0.34 C ATCMO 1319 OR SER A 85 -0.388 64.740 17.488 1.00 0.34 O ATOM 1320 CB SER? 85 0.370 67.346 16.748 1.00 0.34 c ÁTOMO 1321 OG SER A 85 -0.610 66.760 15.906 1.00 0.34 or ÁTOMO 1322 H SBR A 85 1,591 65,046 15,547 1.00 0.00 H ATOM 1323 B? BE A 85 2.077 66.796 17.905 1.00 0.00 H ATCMO 1324 1BB SER A 85 0.858 68.148 16.180 1.00 0.00 H ÁTOMO 1325 2HB SER A 85 -0.105 67.775 17.647 1.00 0.00 H ATCMO 1326 BG SER A 85 -0.897 65.942 16.364 1.00 0.00 B ATCMO 1327 H ASP A 86 1,255 64,718 19,032 1.00 0.23 N ATOM 1328 C? ASP A 86 0.646 63.662 19.785 1.00 0.23 C ATOM 1329 c ASP? 86 0.958 63.925 21.219 1.00 0.23 C? TOMO 1330 0 ASP? 86 1.850 64.710 21.535 1.00 0.23 or ? TOMO 1331 CB ASP? 86 1,209 62,269 19,458. 1.00 0.23 c ATOM 1332 CG ASP? 86 0.750 61.889 18.058 1.00 0.23 c ATCMO 1333 OD1 ASP? 86 -0.436 62,161 17,730 1.00 0.23 or ? TOMO 1334 OD2 ASP A 86 1,581 61,328 17,294 1.00 0.23 Ol ÁTOMO 1335 H? SP A 86 2,097 65,076 19,438 1.00 0.00 H ATOM 1336 H? ASF? 86 -0.450 63.676 19.655 1.00 0.00 H ATOM 1337 1HB? SP.? 86 0.728 61.556 20.149 1.00 0.00 B TCMO 1338 2HB ASP? 86 2,265 62,020 19,445 1.00 0.00 B ATCMO 1339 H TRP A 87 0.199 63.299 22.136 1.00 0.14 N ATOM 1340 C? TRP A 87 0.482 63.500 23.524 1.00 0.14 C ATOM 1341 c TRP A 87 1,782 62,871 23,895 1.00 0.14 C TOMO 1342 or TRP A 87. 2,587 63,476 24,598 1.00 0.14 0 ATOM 1343 CB TRF A 87 -0.603 62,984 24,479 1.00 0.14 c ATOMO 1344 CG TRP A 87 -1.760 63.943 24.577 1.00 0.14 c ATOMO 1345 CDl TRP A 87 -3,025 63,873 24,074 1.00 0.14 c ATCMO 1346 CD2 TRP A 87 -1,660 65,206 25,254 1.00 0.14 c ÁTOMO 1347 NEI TRF A 87 -3,722 6S.014 24.401 1.00 0.14 N ATOM 1348 CE2 TRP A 87 -2,892 65,844 25,126 1.00 0.14 c ATOMO 1349 CE3 TRF A 87 -0.621 65.786 25.924 1.00 0.14 c ATOM 1350 CZ2 TRP? 87 -3.106 67.080 25.670 1.00 0.14 c ATOM 1351 CZ3 TRP? 87 -0.B39 67,029 26,474 1.00 0.14 c ATOMO 1352 CH2 TRP A 87 -2,058 67,665 26,350 1.00 0.14 c ATCMO 1353 B TRP A 87 -0.549 62,677 21,872 1.00 0.00 B ATOMO 1354 B? TRP A 87 0.614 64.581 23.692 1.00 0.00 B ATOMO 1355 1BB TRP A 87 -0.152 62.874 25.482 1.00 0.00 B ATCMO 1356 2HB TRP A 87 -0.938 61.974 24.197 1.00 0.00 B? TOMO 1357 HDl TRP A 87 -3.478 63.070 23.505 1.00 0.00 B ATOMO 1358 HB1 TRP A 87 -4,681 65,186 24,205 1.00 0.00 H ATCMO 1359 HB3 TRP A 87 0.335 65.286 26.045 1.00 0.00 H ? TOMO 1360 HZ2 TRP A 87 -4,070 67,574 25,578 1.00 0.00 H ATOMO 1361 HZ3 TRP A 87 -0.071 67.493 27.066 1.00 0.00 H ÁTOMO 1362 HH2 TRP A 87 -2,209 68,629 26,826 1.00 0.00 H ATOM 1363 N LEO? 88 2.035 61.637 23.423 1.00 0.12 H ATOM 1364 C? LEU A 88 3.244 60.972 23.818 1.00 0.12 c ATCMO 1365 c LEU? 88 3.845 60.339 22.607 1.00 0.12 c ÁTOMO 1366 0 LEU A 88 3.126 59.888 21.717 1.00 0.12 0 ATOMO 1367 CB LEU A 88 2.988 59.838 24.827 1.00 0.12 c ATOMO 1368 CG LEO A 88 4,252 59,089 25,294 1.00 0.12 c ATOM 1369 CDl LEO A 88 5,169 59,984 26,135 1.00 0.12 c ? TOMO 1370 CD2 LEO A 88 3,893 57,777 26,012 1.00 0.12 c ATOMO 1371 B LEO? 88 1.475 61.180 22.722 1.00 0.00 H ATOM 1372 H? LEO? 88 3.945 61.699 24.244 1.00 0.00 B ATOMO 1373 1HB LEU A 88 2,285 59,119 24,367 1.00 0.00 H ? TOMO 1374 2HB LEU A 88 2.468 60.250 25.711 1.00 0.00 B ? TOMO 1375 HG LEU A 88 4,824 58,770 24,411 1.00 0.00 B ATCMO 1376 1HD1 LEU A 88 6.215 59.895 25.827 1.00 0.00 B ATOM 1377 2HD1 LEO A 88 4,833 61,025 26,171 1.00 0.00 B TOMO 1378 3HD1 LEU? 88 5.148 59.665 27.192 1.00 0.00 B ? TOMO 1379 1HD2 LEU A 88 4,792 57,191 26,258 1.00 0.00 H TCMO 1380 2HD2 LEU A 88 3,353 57,971 26,954 1.00 0.00 H TCMO 1381 3BD2 LEU A 88 3,238 57,148 25,391 1.00 0.00 B ATCMO 1382 N LEO A 89 5.192 60.305 22.535 1.00 0.11 N TCMO 1383 C? LEO A 89 5,817 59,659 21,418 1.00 0.11 c TCMO 1384 c LEU A 89 7,020 58,940 21,934 1.00 0.11 c ATOM 1385 or LEU A 89 7,608 59,330 22,942 1.00 0.11 or ATOM 1386 CB LEU A 89 6,316 60,624 20,325 1.00 0.11 c ATOM 1387 CG LEU A 89 6,996 59,930 19,129 1.00 0.11 c ATOM 1388 CDl LEU A 89 6,001 59,044 18,356 1.00 0.11 c ATOMO 1389 CD2 LEO A 89 7.712 60.949 18.228 1.00 0.11 c ATCMO 1390 H LEU A 89 5,789 60,680 23,262 1.00 0.00 B TCMO 1391 B? LEU A 89 5,072 59,108 20,865 1.00 0.00 B ÁTOMO 1392 1BB LEU A 89 7.013 61.361 20.757 1.00 0.00 B ATOMO 1393 2HB LEO A 89 5,451 61,173 19,917 1.00 0.00 B ATOM 1394 HG LEU A 89 7,833 59,325 19,477 1.00 0.00 K ATCMO 1395 1BD1 LEU? 89 6.458 5B.614 17.450 1.00 0.00 H ÁTOMO 1396 2HDl LEU A 89 5,636 58,199 18,955 1.00 0.00 B ATOMO 1397 3HD1 LEU A 89 5.127 59.633 18.029 1.00 0.00 B TOMO 1398 1BD2 LEU? 89 8.143 60.354 17.418 1.00 0.00 B ATOM 1399 2HD2 LEU? 89 7.008 61.683 17.815 1.00 0.00 H ATOMO 1400 3HD2 LEU A 89 8,510 61,485 18,761 1.00 0.00 H TOMO 1401 H LEU A 90 7,400 57,840 21,259 1.00 0.11 N TCMO 1402 C? LEU A 90 8,597 57,166 21,649 1.00 0.11 c ATOM 1403 c LEO A 90 9.606 57.680 20.677 1.00 0.11 c ATCMO 1404 0 LEU A 90 9.404 57.600 19.467 1.00 0.11 0 ATOM 1405 CB LEU A 90 8,527 55,634 21,510 1.00 0.11 c TOMO 1406 CG LEO? 90 9.818 54.918 21.950 1.00 0.11 c ATOMO 1407 CDl LEU? 90 10,083 55,137 23,448 1.00 0.11 c ATOM 1408 CD2 LEU-A 90 9.793 53.429 21.568 1.00 0.11 c TCMO 1409 H LEO A 90 7,168 57,724 20,279 1.00 0.00 B ÁTOMO 1410 HAS LEO A 90 8.845 57.420 22.688 1.00 0.00 B ATOMO 1411 1HB LEU A 90 8.288 55.373 20.463 1.00 0.00 H ÁTOMO 1412 2HB LEU A 90 7,684 55,257 22,117 1.00 0.00 H ATOMO 1413 HG LEU A 90 - 10,652 55,369 21,379 1.00 0.00 H ? TOMO 1414 1HD1 LEO A 90 11,099 55,509 23,615 1.00 0.00 H ? TOMO 1415 2HD1 LEO A 90 9.407 55.868 23.914 1.00 0.00 B ATOMO 1416 3HD1 LEO A 90 9.922 54.203 24.002 1.00 0.00 H ÁTOMO 1417 1HD2 LEU A 90 10.779 52.972 21.676 1.00 0.00 B TOMO 1418 2HD2 LEU A 90 9,069 52,884 22,192 1.00 0.00 B ÁTOMO 1419 3HD2 LEU A 90 9,493 53,311 20,514 1.00 0.00 H ÁTOMO 1420 N GLN A 91 10.719 58.238 21.185 1.00 0.11 N ATOM 1421 C? GLH? 91 11,640 58,868 20,289 1.00 0.11 C ÁTOMO 1422 c GLH A 91 12.B57 58.018 20.152 1.00 0.11 c ATOMS 1423 OR GLN A 91 13,277 57,346 21,093 1.00 0.11 or ÁTOMO 1424 CB GLN A 91 12,096 60,254 20,782 1.00 0.11 c ATOM 1425 CG GLN? 91 10,956 61,273 20,886 1.00 0.11 c ATOM 1426 CD GLN? 91 11,531 62,582 21,415 1.00 0.11 c ATOM 1427 OBI GLN A 91 12,410 62,580 22,275 1.00 0.11 or ATOMO 1428 NE2 GLN A 91 11,026 63,730 20,890 1.00 0.11 N ÁTOMO 1429 B GLN A 91 10,880 58,341 22,182 1.00 0.00 H ATOMO 1430 B? GLN A 91 11,164 59,029 19,308 1.00 0.00 B ATONO 1431 1BB GLN A 91 12,816 60,629 20,042 1.00 0.00 B ATOMO -1432 2BB GLN A 91 12,614 60,147 21,748 1.00 0.00 B ATOM 1433 1HG GLN? 91 10,184 60,951 21,607 1.00 0.00 B ATOM 1434 2HG GLN? 91 10,464 61,391 19,910 1.00 0.00 H ATOMO 1435 1HE2 GLN A 91 10,469 63,660 20,055 1.00 0.00 H ÁTOMO 1436 2HE2 GLN A 91 11,451 64,600 21,151 1.00 0.00 H ATOMO 1437 N ALA A 92 13,435 58,011 18,936 1.00 0.18 H ATOM 1438 C? WING A 92 14.630 57.261 18.701 1.00 0.18 c ÁTOMO 1439 c ALA A 92 15,533 58,108 17,870 1.00 0.18 c ATOMO 1440 or? LA A 92 15,082 58,925 17,072 1.00 0.18 or ÁTOMO 1441 CB ALA A 92 14,397 55,956 17,923 1.00 0.18 c ATCMO 1442 H ALA A 92 13,116 58,559 18,152 1.00 0.00 H ATOM 1443 H? WING A 92 15,098 56,977 19,650 1.00 0.00 H ATCMO 1444 1HB WING A 92 15.351 55.416 17.814 1.00 0.00 H ATOMO 1445 2BB WING A 92 13.693 55.304 18.463 1.00 0.00 H ATOM 1446 3BB WING A 92 13,990 56,146 16,918 1.00 0.00 H ÁTOMO 1447 H SER A 93 16.852 57.959 18.076 1.00 0.25 H ATOM 1448 C? SBR A 93 17.796 58.710 17.309 1.00 0.25 c ATOM 1449 C SER? 93 17,756 58,227 15,893 1.00 0.25 c ÁTOMO 1450 OR SER A 93 17.703 59.024 14.957 1.00 0.25 0 ATCMO 1451 CB SER A 93 19,230 58,542 17,826 1.00 0.25 c ATOMO 1452 OG SER A 93 20.123 59.308 17,034 1.00 0.25 or ATCMO 1453 B SER A 93 17,208 57,332 18,779 1.00 0.00 a ATOM 1454 B? BE A 93 17,535 59,779 17,322 1.00 0.00 H ATCMO 1455 1BB SER A 93 19,526 57,478 17.807 1.00 0.00 B ATOMO 1456 2BB SER A 93 19,278 58,881 18,878 1.00 0.00 H ATCMO 1457 BG SER A 93 21,022 59,117 17,333 1.00 0.00 H ÁTOMO 1458 N ALA A 94 17,769 56,893 15,694 1.00 0.19 N ATOM 1459 C? WING A 94 17.777 56.384 14.351 1.00 0.19 c ÁTOMO 1460 c ALA A 94 16.919 55.161 14.290 1.00 0.19 c ? TOMO 1461 or ALA A 94 16,764 54,435 15,271 1.00 0.19 0 TCMO 1462 CB WING A 94 19,179 55,986 13,860 1.00 0.19 c ÁTOMO 1463 B ALA A 94 17,675 56,216 16,429 1.00 0.00 B ATOMO 1464 B? WING A 94 17,357 57,141 13,668 1.00 0.00 B ATOMO 1465 1BB ALA? 94 19,119 55,626 12,821 1.00 0.00 B TCMO 1466 2HB ALA? 94 19,858 56,852 13,988 1.00 0.00 B ATCMO 1467 3HB WING A 94 19,610 55,186 14,481 1.00 0.00 B ATOMO 1468 N GLO A 95 16.301 54.943 13.114 1.00 0.12 N ATOMO 1469 C? GLO? 95 15,454 53,816 12,861 1.00 0.12 c ATOMO 1470 c GLO? 95 16,282 52,569 12,802 1.00 0.12 c ATOM 1471 0 GLO? 95 15,920 51,545 13,378 1.00 0.12 or ATONO 1472 CB GLO? 95 14,711 53,966 11,522 1.00 0.12 c ATOMO 1473 CG GLU? 95 13.753 55: 164 11.506 1.00 0.12 c ATOM 1474 CD GLO? 95 13,312 55,426 10,073 1.00 0.12 c ATOMO 1475 OEl GLO A 95 13,538 54,538 9,208 1.00 0.12 or ÁTOMO 1476 OB2 GLO A 95 12.742 56.522 9.826 1.00 0.12 oí ÁTOMO 1477 H GLU A 95 16,317 55,628 12,375 1.00 0.00 H ATCMO 1478 H? GLU A 95 14,723 53,702 13,677 1.00 0.00 H ATOMO 1479 1HB GLU-? 95 14,147 53,030 11,359 1.00 0.00 H ATOM 1480 2HB GLU? 95 15,448 54,046 10,704 1.00 0.00 H ATOMO 1481 1HG GLO? 95 14,200 56,089 11,906 1.00 0.00 H ATOMO 1482 2BG GLO? 95 12,869 54,967 12,134 1.00 0.00 H ATCMO 1483 H VAL? 96 17,436 52,630 12,110 1.00 0.11 N ATOM 1484 C? VAL? 96 - 18,234 51,449 11,956 1.00 0.11 C ATCMO 1485 c VAL? 96 19.504 51.637 12.709 1.00 0.11 c ÁTOMO 1486 or VAL A 96 20,025 52,747 12,813 1.00 0.11 0 ATCMO 1487 CB VAL A 96 18,599 51,162 10,531 1.00 0.11 c ÁTOMO 1488 CGl VAL A 96 19,514 49,924 10,495 1.00 0.11 c ? TOMO 1489 CG2 VAL? 96 17,299 51,002 9,726 1.00 0.11 c TCMO 1490 H VAL A 96 17.805 53.489 11.747 1.00 0.00 H ATOMO 1491 H? VAL A 96 17,676 50,587 12,332 1.00 0.00 H ÁTOMO 1492 BB VAL A 96 19,167 52,009 10,104 1.00 0.00 B ÁTOMO 1493 1HG1 VAL A 96 19,610 49,588 9,448 1.00 0.00 H ? TOMO 1494 2HG1 VAL A 96 20,517 50,203 10,851 1.00 0.00 H ÁTOMO 1495 3HG1 VAL A 96 19,099 49,089 11,077 1.00 0.00 B ATCMO 1496 1HG2 VAL A 96 17,491 50,648 8,699 1.00 0.00 B ÁTOMO 1497 2BG2 VAL A 96 16,617 50,282 10,198 1.00 0.00 B ÁTOMO 1498 3HG2 VAL A 96 16,754 51,957 9.632 1.00 0.00 H ATOMO 1499 N VAL A 97 20,028 50,531 13,268 1.00 0.10 N ATOM 1500 C? VAL A 97 21,230 50,600 14,039 1.00 0.10 C ATOMO 1501 C VAL A 97 22,100 49,467 13,620 1.00 0.10 C ATOM 1502 OR VAL A 97 21,654 48,534 12,957 1.00 0.10 O ATOMO 1503 CB VAL A 97 20,992 50,432 15,511 1.00 0.10 C ATOM 1504 CGl VAL A 97 20,128 51,603 16,004 1.00 0.10 C ATCMO 1S0S CG2 VAL A 97 20,363 49,050 15,952 1.00 0.10 C ÁTOMO 1506 H VAL A 97 19,530 49,654 13,277 1.00 0.00 B TCMO 1507 B? VAL? 97 21.758 51.S33 13.789 1.00 0.00 B ATOM 1508 BB VAL A 97 21,926 50,382 16,060 1.00 0.00 B ATOMO 1509 1HG1 VAL A 97 20,116 51,663 17.104 1.00 0.00 B ATCMO 1510 2HG1 VAL A 97 20,458 52,583 15,626 1.00 0.00 H ATOMO 1511 3BG1 VAL A 97 19,080 51,481 15,680 1.00 0.00 B ? TOMO 1512 1HG2 VAL A 97 20,214 48,890 16,835 1.00 0.00 B ATOM 1513 2HG2 VAL? 97 19,366 48,957 15,298 1.00 0.00 B ATOMO 1514 3BG2 VAL A 97 21,003 48,221 15,413 1.00 0.00 B ATOM 1515 N MET A 98 23,386 49,536 14,004 1.00 0.12 N ATCMO 1516 C? MBT? 98 24,315 48,497 13,688 1.00 0.12 C 0 ATOMUS 1517 C ME A 98 24,355 47,640 14.909 1.00 0.12 C ATOM 1518 OR MBT A 98 24,093 48,117 16,012 1.00 0.12 OR ATOM 1519 CB MBT A 98 25,737 49,029 13,442 1.00 0.12 C TCMO 1520 CG MET? 98 25,810 50,033 12,286 1.00 0.12 C ? TOMO 1521 SD META 98 25,466 49,342 10,639 1.00 0.12 S ATOM 1522 CE MBT A 98 27,170 48,804 10,325 1.00 0.12 C TOMO 1523 H MBT? 98 23,734 50,300 14,559 1.00 0.00 H ATOMO 1524 B? MBT? 98 24,011 47,939 12,813 1.00 0.00 H ATCMO 1525 1BB MBT A 98 26.406 48.172 13.257 1.00 0.00 B TCMO 1526 2HB MET? 98 26.107 49.527 14.3S6 1.00 0.00 B ATOMO 1527 1HG MET A 98 26.805 50.510 12.241 1.00 0.00 H TOMO 1528 2HG MBT? 98 25,093 50,856 12,444 1.00 0.00 H TCMO 1529 1BE MBT? 98 27,192 48,311 9,342 1.00 0.00 B TOMO 1530 2BE MBT? 98 27.854 49.665 10.300 1.00 0.00 B - c- ATOM 1531 3BE META 98 27,497 48,081 11,086 1.00 0.00 B 13 ATOMO 1532 N GLO A 99 24,653 46,339 14.755 1.00 0.10 N ATOM 1533 C? GLU A 99 24,662 45,530 15,936 1.00 0.10 C ? TOMO 1534 C GLU A 99 25.806 45.976 16.779 1.00 0.10 C ? VOLUME 1535 OR GLU A 99 26,866 46,341 16,272 1.00 0.10 OR ATOM 1536 CB GLU? 99 24,838 44,022 15,682 1.00 0.10 C ATOMO 1537 CG GLU A 99 24.757 43.196 16.970 1.00 0.10 C ATCMO 1538 CD GLU? 99 24.956 41.726 16.629 1.00 0.10 C TOMO 1S39 OEl GLU? 99 24,323 41,247 15,652 1.00 0.10 O ATOM 1540 OE2 GLO? 99 25.752 41.063 17.347 1.00 0.10 Ol- ATOMO 1541 H GLU? 99 24,979 45,929 13,900 1.00 0.00 B ATOMO 1542 HA GLU A 99 23,696 45,668 16,459 1.00 0.00 H? VOLUME 1543 1HB GLU? 99 25.788 43.861 15.155 1.00 0.00 B TCMO 1544 2BB GLO? 99 23,975 43,700 15,117 1.00 0.00 B ATCMO 1545 1BG GLU A 99 23,715 43,288 17,265 1.00 0.00 H U ATOM 15462BG GLO A 99 25,443 43,481 17,776 1.00 0.00 B ATOMO 1547 N GLY A 100 25,599 45,973 18,108 1.00 0.20 N ATOM 1548 C? GLY? 100 26,641 46,338 19,014 1.00 0.20 C ? TOMO 1549 C GLY A 100 26,474 47,770 19,396 1.00 0.20 C ATOM 1550 OR GLY.? 100 27,034 48,210 20,399 1.00 0.20 OR ATCMO 1551 H GLY A 100 24,793 45,476 18,493 1.00 0.00 B ATOM 1552 1HA GLY? 100 27,635 46,198 18,562 1.00 0.00 H ATOMO 1553 2BA GLY A 100 26,586 45,711 19,915 1.00 0.00 fl ATOMO 1554 H GLH A 101 25,696 48,551 18,624 1.00 0.50 H ATOM 1555 C? GLN? 101 -25.580 49.916 19.038 1.00 0.50 C ATOMO 1556 C GLN A 101 24,520 50,006 20,078 1.00 O.SO C ATOM 1557 OR GLN? 101 23,614 49,177 20,161 1.00 0.50 O TCMO 1558 CB GLN? 101 25,311 50,943 17,920 1.00 0.50 C ATCMO 1559 CG GLN A 101 23.985 50.816 17.175 1.00 0.50 C 5 ATOM 1560 CD GLN? 101 23,925 52,009 16,224 1.00 O.SO C ATCMO 1561 O GLN A 101 22,862 52,418 15,763 1.00 O.SO O ATOM 1562 NE2 GLN A 101 25,114 52,601 15,932 1.00 0.50 N ATCMO 1563 H GLH? 101 25,186 48,208 17,818 1.00 0.00 H ATOM 1564 B? GLH? 101 26,589 50,219 19,360 1.00 0.00 B ATOM 1565 1HB GLH? 101 26,170 SO.832 17,236 1.00 0.00 B ATOM 1566 2BB GLH? 101 25,362 51,936 18,402 1.00 0.00 B ATOM 1567 1HG GLN? 101 23.127 50.886 17.861 1.00 a.oo a ATOMO 1568 2BG GLN? 101 23,855 50,016 16,515 1.00 0.00 H ATOMO 1569 1HE2 GLN A 101 25,979 52,314 16,347 1.00 0.00 H ATOMO 1570 2HE2 GLN? 101 25,070 53,427 15,358 1.00 0.00 B ATOM 1571 N PRO A 102 24,671 50,987 20,918 1.00 0.57 N ATOMO 1572 C? PRO A 102 23.702 51.170 21.956 1.00 0.57 c ATOMUM 1573 C PRO A 102 22,464 51,776 21,396 1.00 0.57 c ATOM -1574 or PRO? 102 22,552 52,542 20,440 1.00 0.57 O ATOM 1575 CB PRO? 102 24,375 52,030 23,023 1.00 0.S7 c ATOM 1576 CG PRO? 102 25,870 51,719 22,846 1.00 0.57 c ATCMO 1577 CD PRO? 102 26,007 51,366 21,355 1.00 0.57 c ATOM 1578 H? PRO? 102 23.501 50.183 22.400 1.00 0.00 B ATOM 1579 1BB PRO? 102 23.985 51.835 24.034 1.00 0.00 a ATOM 1580 2BB PRO? 102 24,196 53,099 22,815 1.00 0.00 B ATCMO 1581 1HG PRO A 102 26,136 50,844 23,462 1.00 0.00 a ATOMO 1582 2HG PRO A 102 26,539 52,537 23,155 1.00 0.00 a ATOM 1583 1HD PRO A 102 26,352 52,231 20,768 1.00 0.00 H ? TOMO 1584 2HD PRO A 102 26,737 50,556 21,257 1.00 0.00 H ATOM 1585 H LEO A 103 21,299 51,440 21,973 1.00 0.26 H ATCMO 1586 C? LEO A 103 20,081 52,025 21,517 1.00 0.26 c ATOM 1587 c LEO? 103 19,597 52,884 22,628 1.00 0.26 c ATOM 1588 or LEO? 103 19,568 52,462 23,782 1.00 0.26 0 ATOMO 1589 CB LEO A 103 18.971 51.003 21.213 1.00 0.26 c ATOM 1590 CG LEO A 103 17,661 51,649 20,720 1.00 0.26 c ATCMO 1591 COI LEO? 103 17.856 52.3S0 19.366 1.00 0.26 c ATOM 1592 CD2 LEO? 103 16.509 50.631 20.709 1.00 0.26 c ATOMO 1593 H LEU? 103 21,252 50,742 22,706 1.00 0.00 H ATOMO 1594 B? LEU? 103 20,277 52,609 20,607 1.00 0.00 H ATCMO 1595 1HB LEU? 103 18,745 50,444 22.129 1.00 0.00 a ? TOMO 1S96 2HB LEU A 103 19,330 50,271 20,467 1.00 0.00 IB ATOMO 1597 HG LEU A 103 17,358 52,425 21,447 1.00 0.00 H ATCMO 1598 1HD1 LEU A 103 16,913 52,798 19,010 1.00 0.00 a ATOMO 1599 2BD1 LEU A 103 18,597 53,162 19,405 1.00 0.00 a ATOMO 1600 3BD1 LEU A 103 18,182 51,630 18,598 1.00 0.00 H ATOMO 1601 1BD2 LEO A 103 15,604 51,038 20,237 1.00 0.00 B ATOMO 1602 2BD2 LEU A 103 16,779 49,714 20,160 1.00 0.00 a ATOM 1603 3HD2 LEU A 103 16,227 50,355 21,735 1.00 0.00 H TCMO 1604 H PHE A 104 19,234 54,137 22,312 1.00 0.08 N? VOLUME 1605 C? PHE A 104 18,730 54,987 23,344 1.00 0.08 c ATCMO 1606 C PHE A 104 17,343 55,343 22,936 1.00 0.08 c ATOMO 1607 or PHE A 104 17,099 55,705 21,785 1.00 0.08 '9 ATOMO 1608 CB PHE A 104 19,527 S6.291 23,513 1.00 0.0B ATOMO 1609 CG PHE A 104 18.986 57.015 24.699 1.00 0.08 k c ATCMO 1610 CDl PHE? 104 19,376 56,664 25,972 1.00 0.08 c ATOMO 1611 CD2 PHE? 104 18,097 58,052 24,540 1.00 0.08 c ÁTOMO 1612 CEI PHE A 104 18,881 57,333 27,066 1.00 0.08 c ATOMO 1613 CE2 PHE A 104 17,597 58,725 25,630 1.00 0.08 c ATOMO 1614 CZ PHE A 104 17.990 58.364 26.896 1.00 0.08 c ATOM 1615 B FBE? 104 19,154 54,483 21,371 1.00 0.00 B ATCMO 1616 B? PHS A 104 18,727 54,463 24,309 1.00 0.00 B ATOMO 1617 1HB FHE A 104 19,477 56,897 22,596 1.00 0.00 B ATOMO 1618 2BB FHE A 104 20.S92 56,046 23,663 1.00 0.00 a ATOM 1619 BD1 PHE A 104 20,097 S5.B63 26.109 1.00 0.00 a ÁTOMO 1620 BD2 FHE A 104 18,020 58,419 23,527 1.00 0.00 a ATOMO 1621 BEI FHE.A 104 19,224 57,065 28,062 1.00 0.00 B ATOMO 1622 BE2 PBE A 104 16,936 59,563 25,591 1.00 0.00 a ATOM 1623 BZ PHE? 104 17,766 59,003 27,735 1.00 0.00 B ATOMO 1624 H LEU? 105 16,385 55,216 23,872 1.00 0.10 N ATOM 1625 C? LEU A 105 15,028 55,541 23,562 1.00 0.10 c ATOMO 1626 c LEU A 105 - 14,558 56,470 24,624 1.00 0.10 c ATOM 1627 or LEU A 105 15,108 56,504 25,724 1.00 0.10 or ATOMO 1628 CB LEU A 105 14,079 54,330 23,569 1.00 0.10 cATOMO 1629 CG LEU A 105 14,388 53,284 22,481 1.00 0.10 c ATOM 1630 CDl LEU A 105 13,388 52,118 22,534 1.00 0.10 c ATCMO 1631 CD2 LEU A 105 14,485 53,930 21,090 1.00 0.10 c ÁTOMO 1632 B LEU A 105 16,573 54,928 24,828 1.00 0.00 B ATCMO 1633 H? LEU? 105 14.968 56.061 22.597 1.00 0.00 a? TOMO 1634 1HB LEO? IOS 13.123 54.780 23.234 1.00 0.00 B ATONO 1635 2BB LEO? 105 13.791 53.897 24.481 1.00 0.00 H ATOM 1636 BG LEO? IOS 15,382 52,848 22,697 1.00 0.00 B ATOM 1637 1BD1 LEO? 105 13,415 51,501 21,622 1.00 0.00 B TCMO 1638 2BD1 LEO? 105 13,614 51,452 23,383 1.00 0.00 H TCMO 1639 3HD1 LEO A 105 12,364 52,474 22,682 1.00 0.00 B ATCMO 1640 1BD2 LEO? 105 14.787 53.185 20.341 1.00 0.00 B ATOM 1641 2BD2 LEO? 105 13,499 54,316 20,781 1.00 0.00 8 TCMO 1642 3BD2 LEO? 105 15,189 54,755 20,996 1.00 0.00 H TCMO 1643 N? RG? 106 13,530 57,274 24.307 1.00 0.15 H ? TOMO 1644 C? ? RG? 106 13,059 58,210 25,276 1.00 0.15 c TCMO -1645 c? RG A 106 11,579 58,303 25,130 1.00 0.15 c ATOM 1646 0 ARG? 106 11,049 58.28S 24,020 1.00 0.15 or ATCMO 1647 CB? RG? 106 13,663 59,604 25,034 1.00 0.15 c ATOM 1648 CG ARG A 106 13,241 60,704 26,004 1.00 0.15 c ATOM 1649 CD ARG A 106 14,061 61,978 25,787 1.00 0.15 c ATCMO 1650 NE ARG A 106 13,541 63,034 26,698 1.00 0.15 H1 + TCMO 1651 CZ ARG A 106 12,993 64,164 26,169 1.00 0.15 c ATOM 1652 NBT ARG A 106 12.935 64.310 24.813 1.00 0.15 N ATOM 1653 NH2 ARG A 106 12,531 65,148 26,995 1.00 0.15 H ÁTOMO 1654 B ARG A 106 13,091 57,282 23,397 1.00 0.00 H ATOM 1655 B? ARG A 106 13,331 57,888 26,288 1.00 0.00 H ? TOMO 1656 1HB ARG A 106 13.453 59.931 24.002 1.00 0.00 H ÁTOMO 1657 2BB ARG A 106 14,740 59,440 25,151 1.00 0.00 a ÁTOMO 1658 1KG ARG A 106 13,146 60,420 27,059 1.00 0.00 H ÁTOMO 1659 2HG ARG A 106 12,200 60,978 25,736 1.00 0.00 H ATCMO 1660 1HD ARG A 106 13,950 62,234 24,738 1.00 0.00 a ATCMO 1661 2HD ARG A 106 15,136 61,855 25,994 1.00 0.00 a ATOMO 1662 BE ARG? 106 13,936 63,151 27.606 1.00 0.00 B TCMO 1663 1HHT ARG A 106 12.969 63.518 24.200 1.00 0.00 a ATOMO 1664 2HH1 ARG? 106 12,383 65,056 24,442 1.00 0.00 a ÁTOMO 1665 1BB2? RG A 106 12,175 66,008 26,638 1.00 0.00 a ATCMO 1666 2HH2 ARG A 106 12,481 65,003 27,979 1.00 0.00 B TCMO 1667 N CYS A 107 10,862 58,384 26,266 1.00 0.16 H ATCMO 1668 C? CYS A 107 9,446 58,560 26,188 1.00 0.16 c ATCMO 1669 c CYS A 107 9.261 60.020 26.416 1.00 0.16 c ATOM 1670 or CYS A 107 9,650 60,546 27,458 1.00 0.16 0 ATOM 1671 CB CYS A 107 8,663 57,792 27,268 1.00 0.16 c ATOM 1672 SG CYS? 107 9,006 56,009 27,207 1.00 0.16 s ATOM 1673 H CYS? 107 11,264 58,413 27,191 1.00 0.00 H ATOMO 1674 B? CYS A 107 9,063 58,219 25,214 1.00 0.00 H ÁTOMO 1675 1BB CYS A 107 7,591 57,974 27,085 1.00 0.00 B ATOMO 1676 2HB CYS? 107 8,887 58,155 28,282 1.00 0.00 B ATOM 1677 N BIS? 108 8.681 60.725 25.429 1.00 0.11 H ATOM 1678 C? BIS? 108 8.593 62.147 2S.S57 1.00 0.11 c ATOM 1679 c BIS? 108 7.159 62.550 25.545 1.00 0.11 c ATCMO 1680 or BIS A 108 6.360 62.037 24.763 1.00 0.11 Ó ' ÁTOMO 1681 CB BIS A 108 9,321 62,875 24,412 1.00 0.11 c ÁTOMO 1682 CG BIS A 108 9.314 64.372 24.517 1.00 0.11 c ATCMO 1683 ND1 BIS A 108 8,352 65,173 23,946 1.00 0.11 H ATCMO 1684 CD2 BIS? 108 10,189 65,217 25,126 1.00 0.11 c ATOM 1685 CEI HXS? 108 8.693 66.456 24.231 1.00 0.11 c ATOM 1686 KB2 BIS? 108 9.799 66.533 24.946 1.00 0.11 N ATCMO 1687 H BIS? 108 8,344 60,317 24,563 1.00 0.00 H ATOM 1688 H? BIS? 108 9,067 62,476 26,494 1.00 0.00 H ÁTOMO 1689 1HB HXS A 108 8.903 62.553 23.443 1.00 0.00 H ATOMO 1690 2HB BIS A 108 10,372 62,547 24.407 1.00 0.00 H ÁTOMO 1691 BD2 BIS A 108 10,626 64,879 26,029 1.00 0.00 B ÁTOMO 1692 BEI BIS .A 108 7.908 67.175 24.152 1.00 0.00 B ATCMO 1693 BE2 HIS A 108 9.908 67.286 25.608 1.00 0.00 a ATOM 1694 N GLY A 109 6,805 63,499 26,433 1.00 0.09 N ATOM 1695 C? GLY A 109 5,456 63,967 26,515 1.00 0.09 c TCMO 1696 c GLY A 109 5.417 65.310 25.871 1.00 0.09 c I TAKE 1697 or GLY A 109. . 6,414 66,029 25,839 1.00 0.09 or ÁTOMO 1698 H GLY A 109 7.478 64.019 26.971 1.00 0.00 H TCMO 1699 IB? GLY A 109 5.161 64.080 27.574 1.00 0.00 H ÁTOMO 1700 2BA GLY A 109 4,765 63,247 26,058 1.00 0.00 B ATOM 1701 N TRF? 110 4,241 65,682 25,339 1.00 0.32 H ATOM 1702 C? TRP? 110 4.097 66.934 24.665 1.00 0.32 c ATCMO 1703 c TRP? 110 4,162 68,019 25,691 1.00 0.32 f ATOM 1704 or TRP? 110 3,707 67,858 26,822 1.00 0.32 or ATCMO 1705 CB TRP? 110 2.767 67.026 23.890 1.00 0.32 C ATOMO 1706 CG TRP? 110 2.534 68.315 23.142 1.00 0.32 c ATOMO 1707 CDl TRP? 110 3.146 68.796 22.021 1.00 0.32 c ATOM 1708 CD2 TRF? 110 1,525 69,270 23,495 1.00 0.32 c ATOMO 1709 NB1 TRP? 110 2,583 69,997 21,657 1.00 0.32 H ATOMO 1710 CE2 TRP? 110 1,580 70,298 22,553 1.00 0.32 c ATOM 1711 CB3 TRP? 110 0.621 69.288 24.517 1.00 0.32 c ATOMO 1712 CZ2 TRF? 110 0.729 71.364 22.620 1.00 0.32 c ATOM 1713 CZ3 TRP? 110 -0.236 70.362 24.583 00 0.32 c ATOMO 1714 CH2 TRP? 110 -0.183 71.380 23.653 00 0.32 c ATOM 1715 to TRP? 110 3.501 64.994 25.214 00 0.00 B ÁTOMO -1716 H? TRF? 110 4.922 67.038 23.933 00 0.00 to ATOMO 1717 1HB TRP? 110 1,929 66,826 24,573 00 0.00 H ATOMO 1718 2BB TRP? 110 2,766 66,199 23,167 1.00 0.00 H ATOM 1719 HDl TRP? 110 4.013 68.408 21.524 1.00 0.00 H ATOM 1720 HB1 TRP? 110 3.077 70.649 21.085 1.00 0.00 H ATOM 1721 BE3 TRP? 110 0.604 68.488 25.237 1.00 0.00 8 ATOM 1722 BZ2 TRP? 110 0.771 72.167 21.889 1.00 0.00 H? VOLUME 1723 BZ3 TRP? 110 -1,037 70,345 25,317 1.00 0.00 H ATOM 1724 HK2 TRP? 110 -0.902 72,196 23,710 1.00 0.00 B ATOMO 1725 H ARG A 111 4.775 69.157 25.311 1.00 0.53 N ATOM 1726 C? ARG A 111 4.933 70.280 26.189 1.00 0.53 C ATOMO 1727 c ARG A 111 5.683 69.866 27.413 00 0.53 c ATCMO 1728 or ARG? 111 5,653 70,566 28,425, 00 0.53 OR ATOM 1729 CB ARG A 111 3,620 70,933 26.6SS 00 0.53 c ATOM 1730 CG ARG A 111 3,020 71,896 25,633 00 0.53 c ATOM 1731 CD ARG A 111 2,053 72,917 26,245, 00 0.53 c ATOM 1732 NE ARG A 111 0.754 72.237 26.508 1.00 0.53 NÍ + ATCMO 1733 CZ ARG A 111 -0.186 72.834 27.299 1.00 0.53 C ATOMO 1734 NH1 ARG A 111 0.095 74.017 27.921 1.00 0.53 H ATCMO 1735 NH2 ARG A 111 -1.396 72.233 27.493 1.00 53 N ATCMO 1736 H ARG A 111 5,186 69,239 24,389 1.00 00 H ATOMO 1737 H? ARG A 111 5,583 71,018 25,683 1.00 00 ATOM 1738 1HB ARG A 111 3,792 71,524 27,570 1.00 00 ATCMO 17392HB ARG A 111 2.B99 70,159 26,910 1.00 00 ATOMO 1740 1HG ARG A 111 2,557 71,368 24,791 1.00 00 ATOMO 17412HG? RG? 111 3.855 72.472 25.192 1.00 0.00? VOLUME 1742 1HD ARG A 111 1,871 73,778 25,580 1.00 0.00 ATOMO 1743 2HD ARG A 111 2,462 73,292 27,198 1.00 00? TCMO 1744 HB ARG A 111 0.400 71,687 25,751 1.00 00 ATOMO 1745 1HH1 ARG A 111 0.986 74,448 27,837 1.00 00 ATCMO 17462HH1 ARG A 111 -0.584 74.483 28.480 1.00 00 ATCMO 1747 1HH2? RG A 111 -2,095 72,648 28,070 1.00 00 ATCMO 17482HH2 ARG A 111 -1,585 71,323 27,140 1.00 0.00 ATOM 1749 H ASN A 112 6,402 68,732 27,343 1.00 0.33 ATOM 1750 C? ASN A 112 191 68.280 28.452 1.00 0.33 ATOMO 1751 c ASN A 112 .360 68.240 29.693 1.00 0.33 ATOMO 1752 or ASN A 112 .800 68.685 30.754 1.00 0.33 ATCMO 1753 CB ASH A 112 8.409 69.178 28.734 1.00 0.33 ATOMO 1754 CG ASN? 112 9.405 68.984 27.605 1.00 0.33 ATOM 1755 OD1 ASH A 112 9.721 67.852 27.241 1.00 0.33 or ATOM 1756 ND2 ASN? 112 9.908 70.110 27.031 1.00 0.33 N ATOM 1757 H ASN? 112 6,362 68,142 26,519 1.00 0.00 H? VOLUME 1758 HA ASN A 112 7.515 67.243 28.253 1.00 0.00 H ATOM 1759 1HB ASN A 112 8.936 68.822 29.637 1.00 0.00 H ATOMO 17602HB ASN? 112 8.129 70.229 28.898 1.00 0.00 to ATCMO 1761 1HD2 ASH A 112 9.555 71.013 27.290 1.00 0.00 H ATOMO 17622HD2 ASH A 112 10,399 70,002 26,155 1.00 0.00 ATOMO 1763 H TRP-A 113 5,133 67,695 29,612 1.00 0.13"NI ATOMO 1764 C? TRP A 113 4.351 67.630 30.808 1.00 0.13 C¡ ATOMO 1765 C TRP A 113 4.945 66.562 31.665 1.00 0.13 c ATCMO 1766 OR TRP A 113 5.619 65.657 31.177 1.00 0.13 or ATCMO 1767 CB TRP? 113 2.864 67.316 30.572 1.00 0.13 Cl ATOMO 1768 CG TRP A 113 2.109 68,431 29.884 1.00 0.13 ATCMO 1769 CDl TRP A 113 1,666 68,514 28,595 1.00 0.13? VOLUME 1770 CD2 TRP A 113 1,737 69,663 30,524 1.00 0.13 e? VOLUME 1771 NEI TRP A 113 1,030 69,717 28,395 1.00 0.13 N ATOMO 1772 CE2 TRP A 113 1,071 70,435 29,574 1.00 0.13 C ATCMO 1773 CB3 TRP A 113 1,939 70,117 31,798 1.00 0.13 C | ÁTOMO 1774 CZ2 TRP A 113 0.593 71,676 29.891 1.00 0.13 c ATCMO 1775 CZ3 TRP A 113 1,451 71,367 32,110 1.00 0.13 Cl ATOM 1776 CH2 TRF A 113 0.791 72,133 31,174 1.00 0.13 c ATOMO 1777 B TRP A 113 4,706 67,474 28,722 1.00 0.00 B ATOM 1778 BA TRP A 113 4,416 68,602 31,331 1.00 0.00 B ATOM 1779 1BB TRP A 113 2,398 67,120 31,554 1.00 0.00 B? TCMO 17802BB TRF A 113 2,768 66,376 30,007 1.00 0.00 H ÁTOMO 1781 HDl TRP A 113 1,720 67,746 27,844 1.00 0.00 H ÁTOMO 1782 HE1 TRP A 113 0.985 70.177 27.511 1.00 0.00 B ATOMO 1783 HB3 TRP A 113 2.453 69.S24 32.547 1.00 0.00 BOMP 1784 H82 TRP A 113 -0.140 72.215 29.363 1.00 0.00 B? TCMO 1785 HZ3 TRP A 113 1,587 71,753 33,118 1.00 0.00 B ATOMO 1786 HH2 TRP A 113 0.388 73.096 31.480 1.00 0.00 to ATOMO 1787 H ASP? 114 4.712 66.648 32.9B8 1.00 0.12 H ATOM 1788 C? ? SP? 114 5.293 65.702 33.895 1.00 0.12 C? TCMO 1789 c? SF? 114 4.813 64.344 33.513 1.00 0.12 c ATCMO 1790 or? SP? 114 3.627 64.137 33.263 1.00 0.12 or ATOMO 1791 CB? SP? 114 4.874 65.921 35.357 1.00 0.12 c ATCMO 1792 CG? SP? 114 5.445 67.250 35.823 1.00 0.12 c? TCMO 1793 OD1? SP? 114 6,688 67,432 35,731 1.00 12 or ATOM 1794 OD2? SP? 114 4.640 68.101 36.285 1.00 12 01-ÁTOMO 1795 H? SP? 114 4.235 67.413 33.434 1.00, 00 B B ÁTOMO 1796 B? ASP A 114 6.396 65.763 33.822 1.00.00 H ATCMO 1797 1BB ASP A 114 5.326 65.104 35.943 1.00 .00 B ATOMO 1798 2HB ASP? 114 3,782 65,878 35,482 1.00 .00 ATOM 1799 H VAL A 115 5,746 63,378 33,447 1.00 0.21 N ATOM 1800 C? VAL? 115 5.368 62.043 33.098 1.00 0.21 C ATOMO 1801 c VAL A 115 5.97S 61.133 34.112 1.00 0.21 C ATOMO 1802 or VAL A 115 7.072 61.378 34.611 1.00 0.21 OR ATOMO 1803 CB VAL A 115 5.880 61.603 31.759 1.00 0.21 c ATCMO 1804 CGl VAL A US 5.413 60.158 31.508 1.00 0.21 c ATCMO 1805 CG2 VAL A 115 5.402 62.604 30.694 1.00 0.21 c? VOLUME 1806 H VAL? 115 6.699 63.523 33.725 1.00 0.00 to ATOMO 1807 B? VAL A 115 4.271 61.948 33.117 1.00 0.00 to ATOM 1808 BB VAL? 115 6.981 61.596 31.744 1.00 0.00 H ATOMO 18091HG1 VAL A 115 5.622 59.852 30.468 1.00 0.00 to ATOMO 1810 2HG1 VAL? 115 5.940 59.432 32.142 1.00 0.00 to ATCMO 18113BG1 VAL A 115 4.326 60.047 31.656 1.00 0.00 H ATOMO 1812 1BG2 VAL A 115 6.242 63.234 30.360 1.00 0.00 H? VOLUME 18132HG2 VAL? 115 5.022 62.106 29.788 1.00 0.00 H ATOMO 1814 3BG2 VAL? 115 4.626 63.295 31.037 1.00 0.00 to ATOMO 1815 H TYR? 116 5,249 60,058 34,455 1.00 0.44 N? VOLUME 1816 C? TYR A 116 5.738 59.110 35.407 1.00 0.44 c ATOM 1817 c TYR A 116 5.192 57.784 34.997 1.00 0.44 c ATCMO 1818 or TYR A 116 4.387 57.702 34.070 1.00 0.44 or ATOMO 1819 CB TYR A 116 5.271 59.408 36.836 1.00 0.44 c? TCMO 1820 CG TYR A 116 3,794 59,519 36,746 1.00 0.44 c ATCMO 1821 CDl TYR? 116 2,990 58,419 36,891 1.00 0.44 c ATOM 1822 CD2 TYR? 116 3.215 60.735 36.486 1.00 0.44 c ATOM 1823 CEI TYR? 116 1,624 58,535 36,797 1.00 0.44 c ATOM 1824 CE2 TYR? 116 1,851 60,859 36,391 1.00 0.44 c ATOMO 1825 CZ TYR? 116 1,050 59,757 36,548 1.00 0.44 c ATOMS 1826 OH TYR A 116 -0.352 59.883 36.451 1.00 0.44 or? VOLUME 1827 B TYR A 116 4.338 59.869 34.060 1.00 0.00 H ATOMO 1828 B? TYR? 116 6,838 59,072 35,343 1.00 0.00 H ATOMO 1829 1HB TYR? 116 5.732 60.345 37.186 1.00 0.00 H ATOM 1830 2BB TYR? 116 5,607 58,618 37,523 1.00 0.00 H ATOM 1831 BD1 TYR? 116 3,439 57,467 37,135 1.00 0.00 H ATCMO 1832 HD2 TYR? 116 3.838 61.619 36.358 1.00 0.00 H ATOMO 1833 HE1 TYR? 116 0.986 57.727 37.108 1.00 0.00 H ATOMO 1834 HE2 TYR-? 116 1,421 61,836 36,180 1.00 0.00 H ATOM 1835 HH TYR? 116 -0.572 60.683 35.940 1.00 0.00 H? TOMO 1836 H LYS? 117 5.625 56.712 35.689 1.00 0.45 N ATOMO 1837 C? LYS? 117 5,196 55,380 35,366 1.00 0.45 C ATCMO 1838 c LYS? 117 5.361 55.152 33.903 1.00 0.45 c ATOMO 1839 or LYS? 117 4.381 54.992 33.177 1.00 45 or ATOMO 1840 CB LYS? 117 3.732 55.063 35.716 1.00 .45 c ATOMO 1841 CG LYS? 117 3,486 54,831 37,205 1.00 .45 c. VOLUME 1842 CD LYS A 117 2,021 54,552 37,540 1.00 45 c ATOM 1843 CB LYS A 117 1,803 54,093 38,982 1.00, 45 c ATCMO 1844 NZ LYS A 117 1,648 55,268 39,868 1.00 0.45 N1 + ATOMO 1845 H LYS ? 117 6.471 56.822 36.234 1.00 0.00 H ATOM 1846 BA LYS? 117 5.857 54.686 35.905 1.00 0.00 H ATOMUM 1847 1HB LYS A 117 3.423 54.134 35.202 1.00 0.00 H TOMO 1848 2HB LYS? 117 3.072 55.855 35.321 1.00 0.00 H TCMO 1849 1HG LYS? 117 4.032 55.470 37.906 1.00 0.00 H ATOMO 1850 2HG LYS? 117 3.730 53.803 37.280 1.00 0.00 H ATOM 1851 1HD LYS? 117 1,662 53,770 36,846 1.00 0.00 a ATOM 1852 2BD LYS? 117 1,404 55,440 37,399 1.00 0.00 B ATCMO 1853 1HE LYS? 117 2,615 53,456 39,361 1.00 0.00 B ATOMO 1854 2HB LYS? 117 0.875 53.505 39.082 1.00 0.00 to? TOMO 18S5 1BZ LYS? 117 1,542 55,010 40,843 1.00 0.00 H ATOM 1856 2BZ LYS? 117 2,458 55,876 39,832 1.00 0.00 B ATCMO 1857 3BZ LYS? 117 0.847 55.842 39.642 1.00 0.00 H ATOM -18SB H VAL? 118 6.621 S5.134 33.433 1.00 0.21 N ÁTOMO 18S9 CA VAL A 118 6.873 54.949 32.037 1.00 0.21 c ATOM 1860 C VAL? 118 7.212 53.S12 31.806 1.00 0.21 c ATOMO 1861 OR VAL A 118 7.958 52.902 32.569 1.00 0.21 or ATOM 1862 CB VAL? 118 B.032 55,762 31,546 1.00 0.21 c ATCMO 1863 CGl VAL A 118 8.313 SS.380 30.088 1.00 0.21 c ATOMO 1864 CG2 VAL? 118 7.708 57.251 31.749 1.00 0.21 c ATCMO 1865 H VAL A 118 7.436 55.211 34.029 1.00 0.00 B ATOMO 1866 H? VAL A 118 5.985 55.27B 31.488 1.00 0.00 H ATOM 1867 BB VAL? 118 8.930 55.521 32.142 1.00 0.00 H ATOMO 1868 1BG1 VAL A 118 9.125 56.011 29.696 1.00 0.00 H ATOM 1869 2HG1 VAL? 118 8.627 54.336 29.946 1.00 0.00 B ÁTOMO 1870 3BG1 VAL A 118 7.399 55.589 29.526 1.00 0.00 H ATOM 1871 1HG2 VAL? 118 8.495 S7.906 31.341 1.00 0.00 H ? TOMO 1872 2BG2 VAL? 118 6,771 57,514 31,231 1.00 0.00 H ATOMO 1873 3BG2 VAL A 118 7,597 57,515 32,814 1.00 0.00 H ATOMO 1874 N ILE? 119 6.636 52.922 30.739 1.00 0.09 N ATOMO 1875 C? XLE? 119 6.937 51.S57 30.434 1.00 0.09 c ATOM 1876 c XLE? 119 7,363 51,496 29.OOS 1.00 0.09 c ATCMO 1877 or ILE? 119 6,814 52,188 28,149 1.00 0.09 0 ATOMO 1878 CB XLB? 119 5,765 50,634 30,583 1.00 0.09 μ ATOMO 1879 CGl XLE? 119 5,244 50,662 32,028 1.00 0.09 μ ATCMO 1880 CG2 ILE A 119 6,202 49,239 30.108 1.00 0.09 c ATOMO 1881 CDI ILE A 119 3,887 49,980 32,199 1.00 0.09 c ? TOMO 1882 B XLE? 119 6.019 53.432 30.114 1.00 0.00 B ATOMO 1883 B? XLE? 119 7,753 51,208 31,079 1.00 0.00 H ÁTOMO 1884 BB XLE A 119,974 50,986 29,918 1.00 0.00 H ÁTOMO 1885 1BG1 ILB A 119 5.127 51.696 32.388 1.00 0.00 B ÁTOMO 1886 2HG1 ILE A 119 5,962 50,087 32,618 1.00 0.00 H ATOMO 1887 1HG2 XLE A 119 5.476 48.458 30.381 1.00 0.00 H ATCMO 1888 2HG2 XLE? 119 6,342 49,174 29,021 1.00 0.00 H ATCMO 1889 3BG2 XLE? 119 7.135 48.928 30.599 1.00 0.00 H ATOMO 1890 1HD1 ILE? 119 3,583 50,024 33,259 1.00 0.00 H ATOM 1891 2BD1 ILE? 119 3,096 50,494 31,635 1.00 0.00 H ATCMO 1892 3BD1 ILE? 119 3.917 48.912 31.939 1.00 0.00 H ATOM 1893 N TYR? 120 8,383 50,666 28,722 1.00 0.09 N ATOMO 1894 C? TYR? 120 8,837 50,488 27,377 1.00 0.09 C ? TOMO 1895 C TY? 120 8.350 49.159 26.923 1.00 0.09 c ATOM 1896 or TYR? 120 8,418 48,175 27,658 1.00 0.09 jo ATOMO 1897 CB TYR? 120 10,367 50,494 27,212 1.00 0.09 μ ATOMO 1898 CG TYR? 120 10,850 51,903 27,189 1.00 0.09 c ATCMO 1899 CDl TYR? 120 11,051 52,631 28,339 1.00 0.09 c ATOM 1900 CD2 TYR? 120 11,111 52,492 25,973 1.00 0.09 c TCMO 1901 CEI TYR? 120 11.504 53.929 28.266 1.00 0.09 c ATCMO 1902 CE2 TYR? 120 11,563 53,785 25,893 1.00 0.09 c TCMO 1903 CZ TYR? 120 11.761 54.505 27.043 1.00 0.09 μ ' ? TCMO 1904 OB TYR? 120 12,226 55,832 26,949 1.00 0.09 p ' ATOM 190S B TYR.A 120 8.765 50.046 29.425 1.00 0.00 a ATOMO 1906 B? TYR A 120 8,416 51,282 26,738 1.00 0.00 a ATOMO 1907 1HB TYR A 120 10.609 49.990 26.261 1.00 0.00 H ATOMO 1908 2HB TYR? 120 10,841 49,895 28,003 1.00 0.00 H ATOMO 1909 HDl TYR? 120 10.804 52.180 29.294 1.00 0.00 H ATOMO 1910 HD2 TYR? 120 10,959 51,928 25,055 1.00 0.00 H TCMO 1911 BBl TYR? 120 11,635 54,510 29,175 1.00 0.00 H ATCMO 1912 HE2 TYR A 120 11.814 54.215 24.941 1.00 0.00 H ATCMO 1913 HH TYR? 120 11,980 56,270 27,778 1.00 0.00 H TOMO 1914 N TYR? 121 7.816 49.106 25.689 1.00 0.18 N ATOMO 1915 C? TYR? 121 7.302 47.867 25.199 1.00 0.18 C ATOMO 1916 c TYR? 121 8.013 47.542 23.925 1.00 0.18 c ATOMO 1917 0 TYR? 121 8.291 48.417 23.108 1.00 0.18 or ATOM 1918 CB TYR? 121 5,803 47,929 24,877 1.00 0.18 c ATCMO 1919 CG TYR? 121 5,083 48,219 26,150 1.00 0.18 c ATOMO 1920 CDl TYR? 121 4,694 47,198 26,987 1.00 0.18 c ATOM 1921 CD2 TYR? 121 4.800 49.517 26.509 1.00 0.18 é ATOM 1922 CEI TYR? 121 4,028 47,469 28,160 1.00 0.18 c TCMO 1923 CE2 TYR? 121 4,134 49,792 27,679 1.00 0.18 c ATOM 1924 CZ TYR? 121 3.744 48.768 28.506 1.00 0.18 c ATCMO 1925 OB TYR? 121 3.059 49.051 29.707 1.00 0.18 or ATCMO 1926 B TYR A 121 7,631 49,920 25,112 1.00 0.00 H TOMO 1927 H? TYR? 121 7.436 47.107 25.959 1.00 0.00 B ATOM 1928 1HB TYR? 121 5.532 46.953 24.447 1.00 0.00 a ATOM .1929 2BB TYR A 121 5,646 48,703 24,116 1.00 0.00 B ATCMO 1930 BD1 TYR? 121 4,897 46,165 26,711 1.00 0.00 B ATOMO 1931 BD2 TYR A 121 5.098 50.334 25.859 1.00 0.00 B ATOM 1932 BEI TYR? 121 3,695 46,652 28.797 1.00 0.00 B ATOM 1933 BE2 TYR? 121 4,048 50,841 27.783 1.00 0.00 B ATOM 1934 BB TYR? 121 2,599 49,887 29,539 1.00 0.00 B ATOM 1935 N LYS? 122 8,347 46,249 23,757 1.00 0.28 H ATOM 1936 C? LYS? 122 9,000 45,727 22,598 1.00 0.28 C ATOM 1937 C LYS? 122 8.109 44.630 22.126 1.00 0.28 c ATCMO 1938 or LYS? 122 7,986 43,602 22,790 1.00 0.28 or TCMO 1939 CB LYS? 122 10,349 45,062 22,933 1.00 0.28 c? TOMO 1940 CG LYS? 122 11,176 44,623 21,722 1.00 0.28 d TOMO 1941 CD LYS? 122 12,535 44,030 22,111 1.00 0.28 μ TOMO 1942 CE LYS? 122 13,183 44,715 23,316 1.00 0.28 c TOMO 1943 HZ LYS? 122 14,483 44,075 23,628 1.00 0.28 N1 + ATOM 1944 H LYS? 122 8.145 45.567 24.483 1.00 0.00 H ATOM 1945 H? LYS? 122 9.164 46.528 21.864 1.00 0.00 B ATOMO 1946 1HB LYS? 122 10,242 44,240 23,659 1.00 0.00 B TCMO 1947 2BB LYS? 122 10,988 45,835 23,342 1.00 0.00 H ATOM 1948 1BG LYS? 122 11,311 45,492 21,057 1.00 0.00 H ATCMO 1949 2BG LYS? 122 10,623 43,882 21,114 1.00 0.00 B ATCMO 1950 1BD LYS? 122 13.201 44.012 21.232 1.00 0.00 B I TAKE 19S1 2BD LYS? 122 12,369 42,972 22,385 1.00 0.00 B TOMO 1952 1BB LYS? 122 12,551 44,547 24,190 1.00 0.00 B ATOM 1953 2BB LYS? 122 13,425 45,746 23,185 1.00 0.00 B TOMO 1954 1BZ LYS? 122 14.925 44.473 24.445 1.00 0.00 B TCMO 1955 2BZ LYS? 122 14,393 43,081 23.789 1.00 0.00 H ATOMO 1956 3BZ LYS? 122 15,133 44,201 22,860 1.00 0.00 H ATOMO 1957 H? SP? 123 7.464 44.826 20.965 1.00 0.20 H ATOM 1958 C? ? SP? 123 6.591 43.826 20.428 1.00 0.20 c ATOM 1959 c? SP? 123 5.S95 43,429 21,470 1.00 0.20 C ATOM 1960 or? SP A 123 5,193 42,269 21,556 1.00 0.20 OR ATOMO 1961 CB ASP A 123 7,339 42,593 19,901 1.00 0.20 c ATOM 1962 CG? SP? 123 8.044 43.04S 18,631 1.00 0.20 c ATOM 1963 OD1? SP? 123 7,553 44,021 18,001 1.00 0.20 or ATOM 1964 OD2? SP A 123 9,081 42,430 18,274 1.00 0.20 oi- ATOM 196S B ASP? 123 7,666 45,628 20,369 1.00 0.00 H ATOM 1966 B? ? SP? 123 5.968 44.289 19.639 1.00 0.00 H ATOM 1967 1HB? SF? 123 6.613 41.815 19.612 1.00 0.00 H ATOM 196B 2BB? SP? 123 8.032 42.140 20.623 1.00 0.00 B ATOM 1969 H GLY? 124 5.173 44.404 22.296 1.00 0.17 H ? TOMO 1970 C? GLY? 124 4.147 44.159 23.266 1.00 0.17 C ATOM 1971 with GLY? 124 4,739 43,612 24,523 1.00 0.17 c ATOMO 1972 0 GLY? 124 4,011 43,266 25,454 1.00 0.17 or ATCMO 1973 H GLY? 124,538 45,337 22,192 1.00 0.00 H ATOMO 1974 1HA GLY? 124 3,420 43,428 22,877 1.00 0.00 B TOMO 1975 2HA GLY? 124 3,606 45,080 23,485 1.00 0.00 B ? TOMO 1976 H GLU.A 125 6.076 43.516 24.601 1.00 0.24 H ATOM 1977 C? GLO? 125 6.638 42.987 25.806 1.00 0.24 C ÁTOMO 1978 C GLO A 12S 7,229 44,137 26,552 1.00 0.24 C ? TOMO 1979 or GLO A 125 7,934 44,962 25,980 1.00 0.24 O ? TOMO 1980 CB GLU A 125 7,747 41,958 25,550 1.00 0.24 c TCMO 1981 CG GLO A 125. 8.099 41.137 26.7B5 1.00 0.24 c ATOMO 1982 CD GLO A 125 9.183 40.146 26.392 1.00 0.24 c ATOM 1983 OBI GLU? 125 10,013 40,500 25,512 1.00 0.24 0 ? TCMO 1984 OB2 GLU? 125 9,192 39,023 26,962 1.00 0.24 Ol- ATOMO 1985 H GLO A 125 6,662 43,562 23,773 1.00 0.00 B ATOM 1986 H? GLO A 125 5,870 42,467 26,400 1.00 0.00 B ÁTOMO 1987 1HB GLU A 125 8.63B 42.476 25.156 1.00 0.00 B ÁTOMO 1988 2BB GLU A 125 7.408 41.267 24.755 1.00 0.00 K ÁTOMO 1989 1BG GLU? 125 7.225 40.613 27.203 1.00 0.00 a ATCMO 1990 2BG GLO? 125 8,494 41,789 27,582 1.00 0.00 H ÁTOMO 1991 H ALA A 126 6,967 44,237 27,865 1.00 0.26 N ATOM 1992 C? TO ? 126 7,483 45,377 28,563 1.00 0.26 C ATCMO 1993 C ALA A 126 8.923 45.129 2B.870 1.00 0.26 c ATOM 1994 OR WING A 126 9.257 44.250 29.662 1.00 0.26 or ATOMO 1995 CB ALA A 126 6.771 45.654 29.898 1.00 0.26 c ATOM 1996 B ALA? 126 6,357 43,601 28,352 1.00 0.00 B ATOM 1997 B? WING A 126 7.283 46.254 27.943 1.00 0.00 B ÁTOMO 1998 1BB ALA A 126 7.244 46.526 30.375 1.00 0.00 B ATOMO 1999 2BB WING A 126 5.708 45.881 29.733 1.00 0.00 H ATOMO .2000 3HB WING A 126 6.836 44.803 30.593 1.00 0.00 H ATOMO 2001 H LEO? 127 9.819 45.889 28.210 1.00 0.39 N ATOM 2002 C? LEO? 127 11,223 45,746 2B.455 1.00 0.39 C¡ ATOMO 2003 c LEO? 127 11.504 46.207 29.846 1.00 0.39 c ATOMO 2004 or LEO? 127 12,150 45,505 30,622 1.00 0.39 0 ATOM 2005 CB LEO? 127 12,082 46,623 27,532 1.00 0.39 c ATOMO 2006 CG LEO? 127 11.973 46.250 26.046 1.00 0.39 c ATOMO 2007 CDl LEO? 127 10,541 46,453 25,527 1.00 0.39 c ATCMO 2008 CD2 LEO? 127 13,021 47,001 25,210 1.00 0.39 μ ATOMO 2009 H LEO? 127 9,483 46,608 27,583 1.00 0.00 H ATOMO 2010 B? LEU? 127 11,516 44,689 28,359 1.00 0.00 fl ATOMO 2011 1HB LEO? 127 13,130 46,502 27,866 1.00 0.00 H ATCMO 2012 2BB LEO? 127 11.833 47.689 27.665 1.00 0.00 H ATOMO 2013 BG LEO? 127 12,195 45,170 26,006 1.00 0.00 H ATOMO 2014 ÍHDI LEU? 127 10,536 47,074 24,623 1.00 0.00 H ATOMO 2015 2HD1 LEU? 127 10,073 45,481 25,396 1.00 0.00 H ATOMO 2016 3BD1 LEO? 127 9.942 47.094 26.169 1.00 0.00 H TOMO 2017 1HD2 LEO? 127 12,582 46,866 24,252 1.00 0.00 B ATOM 2018 2HD2 LEO? 127 13,035 48,076 25,442 1.00 0.00 B ATOM 2019 3HD2 LEO? 127 14,037 46,592 25,281 1.00 o.co B ATOMO 2020 H LYS A 128 11,008 47,409 30,209 1.00 0.43 N ? TOMO 2021 C? LYS A 128 11,294 47,881 31,530 1.00 0.43 C ATOM 2022 c LYS? 128 10,216 48,824 31,948 1.00 0.43 c ATCMO 2023 or LYS A 128 9.524 49.417 31.122 1.00 0.43 or ATOM 2024 CB LYS A 128 12,614 48,659 31,641 1.00 0.43 c ATOMO 2025 CG LYS A 128 12,560 50,028 30,960 1.00 0.43 c ATOM 2026 CD LYS A 12B 13,718 50,948 31,350 1.00 0.43 c ATOMUM 2027 CE LYS A 128 13,540 52,388 30,872 1.00 0.43 c TOMO 2028 HZ LYS A 128 12,447 53,031 31,635 1.00 0.43 N1 + ATOMUM 2029 B LYS A 128 10,328 47,889 29,646 1.00 0.00 a ATOM 2030 B? LYS A 128 11,296 47,023 32,227 1.00 0.00 H ATOM 2031 1 HB LYS A 128 13,445 48,056 31,235 1.00 0.00 B ATOMUM 2032 2HB LYS A 128 12.825 48.793 32.717 1.00 0.00 B ATOM 2033 1 HG LYS A 128 11,647 50,560 31,271 1.00 0.00 H TCMO 2034 2BG LYS A 128 12,473 49,888 29,880 1.00 0.00 B ATOM 2035 1BD LYS A 128 14,667 50,553 30,950 1.00 0.00 fl ATOM 2036 2HD LYS? 128 13,841 50,944 32,449 1.00 0.00 H? VOLUME 2037 1HB LYS? 128 13,239 52,423 29,841 1.00 0.00 fl ATOM 2038 2BE LYS? 128 14,468 52,924 31,072 1.00 0.00 H ATOMO 2039 18Z LYS? 128 12,368 54,022 31,429 1.00 0.00 H ATOMO 2040 2HZ LYS? 128 11,541 52,625 31,442 1.00 0.00 H ATOMO 2041 3HZ LYS? 12B 12,593 52,977 32,634 1.00 0.00 H ATOMO 2042 N TYR? 129 10,043 48,960 33,275 1.00 0.26 N ATOMO 2043 C? TYR A 129 9,095 49,877 33,832 1.00 0.26 c ATOM 2044 c TYR A 129 9.784 50.604 34.940 1.00 0.26 c ? VOLUME 2045 0 TYR A 129 10.405 49.987 35.803 1.00 0.26 or ATOMO 2046 CB TYR A 129 7,861 49,183 34,435 1.00 0.26 c ATOMUM 2047 CG TYR.A 129 7.171 50.160 35.325 1.00 0.26 μ ATOMO 2048 CDl TYR A 129 6.375 51.165 34.823 1.00 0.26 μ ATOMO 2049 CD2 TYR A 129 7.327 50.051 36.687 1.00 0.26 c ATOMO 2050 CEI TYR A 129 5.750 52.050 35.674 1.00 0.26? ATOMO 2051 CB2 TYR A 129 6.707 50.930 37.540 1.00 0.26 c ATOM 2052 CZ TYR A 129. . 5,916 51,931 37,035 1.00 0.26 c ATOMO 2053 OB TYR? 129 5,283 52,830 37,916 1.00 0.26 or ATOMO 2054 B TYR A 129 10.608 48.473 33.9S2 1.00 0.00 H ATOM 2055 B? TYR A 129 8.771 50.575 33.049 1.00 0.00 H ATOM 2056 1HB TYR? 129 8.174 48.298 35.013 1.00 0.00 H ATOMO 2057 2BB TYR? 129 7.213 48.793 33.637 1.00 0.00 H? VOLUME 2058 HDl TYR? 129 6.455 51.455 33.799 1.00 0.00 H ATOMO 2059 HD2 TYR? 129 7,952 49,261 37,097 1.00 0.00 H ATOM 2060 HE1 TYR? 129 5.114 52.806 35.239 1.00 0.00 H ATCMO 2061 BE2 TYR? 129 6.841 50.791 38.607 1.00 0.00 H ATCMO 2062 BB TYR? 129 5,829 52,879 38,713 1.00 0.00 H ATOM 2063 N TRP? 130 9.712 51.950 34.931 1.00 0.16 N ATCMO 2064 CA TRP? 130 10,311 52,685 36,006 1.00 0.16 c ATOM 2065 C TRP? 130 9,437 53,879 36,219 1.00 0.16 c ATOM 2066 OR TRF? 130 8.929 54.461 35.261 1.00 0.16 0 ATOM 2067 CB TRP? 130 11.716 53.211 35.683 1.00 0.16 c ATOM 2068 CG TRP? 130 12,467 53,739 36,882 1.00 0.16 «i ATOMO 2069 CDl TRP? 130 12,409 54,960 37,486 1.00 0.16 μ ATOM 2070 CD2 TRF? 130 13,463 52,984 37,588 1.00 0.16 c ATOMO 2071 NEI TRP? 130 13,299 55,007 38,532 1.00 0.16 N ATOM 2072 CE2 TRP? 130 13,957 53,800 38,603 1.00 0.16 c ATOM 2073 CE3 TRP? 130 13,932 51,715 37,402 1.00 0.16 c ATOM 2074 CZ2 TRP? 130 14.932 53.360 39.452 1.00 0.16 c ATOM 2075 CZ3 TRP? 130 14.913 51.273 38.264 1.00 0.16 c ATOM 2076 CB2 TRP? 130 15,404 52,079 39,270 1.00 0.16 c ATOM 2077 H TRP? 130 9.109 52.460 34.292 1.00 0.00 K ATOM 2078 B? TRP? 130 10,329 52,061 36,916 1.00 0.00 H ATOM 2079 1HB TRF? 130 11,622 53,988 34.909 1.00 0.00 H TCMO 2080 2BB TRP? 130 12.306 52.403 35.220 1.00 0.00 B ATOMO 2081 HDl TRP? 130 11,643 55,612 37,343 1.00 0.00 a ATOM 2082 HE1 TRP? 130 13,577 55,818 39,058 1.00 O.00 a ATCMO 2083 HB3 TRP? 130 13,550 51,063 36,623 1.00 O.00 H ATOMO 2084 BZ2 TRP? 130 15,318 54,001 40,242 1.00 0.00 H ATOM 2085 BZ3 TRP? 130 15,309 50,266 38,152 1.00 0.00 H ATOMO 2086 HH2 TRP? 130 16,179 51,696 39,930 1.00 0.00 H ATOM 2087 N TYR? 131 9.204 54.267 37.487 1.00 0.17 N ATOM 2088 C? TYR? 131 8.351 55.401 37.683 1.00 0.17 C ATOM 2089 C TYR? 131 8,991 56,631 37,120 1.00 0.17 c ATOM 2090 OR TYR? 131 8,436 57,284 36,238 1.00 0.17 0 ATOM 2091 CB TYR? 131 8.087 55.714 39.164 1.00 0.17 c ATOM 2092 CG TYR? 131 7.166 54.693 39.731 1.00 0.17 c ATOM 2093 CDl TYR? 131 7.617 53.438 40.072 1.00 0.17 c ATOMUM 2094 CD2 TYR A 131 5.844 55.009 39.937 1.00 0.17 c ATOMO 2095 CEI TYR A 131 6.754 52.508 40.602 1.00 0.17 c ATOMUM 2096 CE2 TYR A 131 4.977 54.084 40.465 1.00 0.17 c ? TOMO 2097 CZ TYR A 131 5.433 52.832 40.800 1.00 0.17 c ATOM 2098 or TYR A 131 4,542 51,882 41,345 1.00 0.17 or ATOMUM 2099 to TYR A 131 9.634 53.823 38.280 1.00 0.00 H ATOM 2100 B? TYR? 131 7,395 55,233 37,177 1.00 0.00 H TCMO 2101 1HB TYR? 131 7.635 56.719 39.216 1.00 0.00 H ATOMO 2102 2HB TYR? 131 9,022 55,767 39,746 1.00 0.00 B ATOM 2103 HDl TYR? 131 B.667 53.180 39.973 1.00 0.00 H ATOM 2104 HD2 TYR? 131 5,494 56,012 39,704 1.00 0.00 H ATOM 2105 BEI TYR? 131 7,138 51,529 40,884 1.00 0.00 H ATOM 2106 BE2 TYR? 131 3,963 54,370 40,710 1.00 0.00 fl ATCMO 2107 BB TYR? 131 5,048 51,342 41,965 1.00 0.00 fl ATOM 2108 GLU? 132 10,189 56,977 37,630 1.00 0.19 N ? TOMO 2109 C? GLU? 132 10.842 58.196 37.249 1.00 0.19 C ATOMO 2110 C GLU? 132 11,520 58,139 35,909 1.00 0.19 C ATOM 2111 OR GLU? 132 11.501 59.125 35.175 1.00 0.19 or ATCMO 2112 CB GLU? 132 11.851 58.705 38.295 1.00 0.19 c? VOLUME 2113 CG GLO? 132 13,030 57,774 38,565 1.00 0.19 c ATOM 2114 CD GLU? 132 13,838 58,387 39,702 1.00 0.19 c ATCMO 211S OEl GLU? 132 14,098 59,618 39,651 1.00 0.19 or ATOM 2116 OE2 GLU? 132 14.202 57.630 40.641 1.00 0.19 Ol ATOM 2117 GLU? 132 10,574 56,510 38,434 1.00 0.00 H ATOMO 2118 B? GLU.? 132 10,066 58,975 37,149 1.00 0.00 H TCMO 2119 1HB GLU? 132 11,321 58,901 39,245 1.00 0.00 H ATOM 2120 2HB GLU? 132 12,189 59,689 37,919 1.00 0.00 a ATOM 2121 1HG GLU? 132 13,639 57,522 37,692 1.00 0.00 a ATOM 2122 2BG GLU? 132 12,498 56,967 39,059 1.00 O.00 a ATCMO 2123 H? SN? 133 - 12,116 56,988 35,539 1.00 0.18 H TCMO 2124 C? SN? 133 12.974 S6.963 34.382 1.00 0.18 C ATOM 2125 C ASN? 133 12,209 57,009 33,098 1.00 0.18 c ATOM 2126 OR ASN? 133 11,487 56,080 32,738 1.00 0.18 or ATOM 2127 CB? SN? 133 13.907 55.737 34.320 1.00 0.18 c ATCMO 2128 CG ASN A 133 14.988 56.023 33.284 1.00 0.18 c ATOM 2129 OD1 ASN A 133 14.893 56.984 32.522 1.00 0.18 or ATOM 2130 HD2 ASN A 133 16,041 55,162 33,248 1.00 0.18 N ATOM 2131 H ASH? 133 12,152 56,184 36,126 1.00 0.00 H ATCMO 2132 H? SH? 133 13,641 57,843 34,482 1.00 0.00 H ATOM 2133 1HB? SN? 133 13,387 54,810 34,048 1.00 0.00 H ATCMO 2134 2HB? SN? 133 14,388 55,588 35,302 1.00 0.00 H ? TOMO 2135 1BD2? SH? 133 16,149 54,411 33.904 1.00 0.00 H ATCMO 2136 2BD2 ASH A 133 16,735 55,326 32,538 1.00 0.00 B TCMO 2137 N HIS A 134 12,358 58,148 32,393 1.00 0.16 H ATCMO 2138 CA BIS? 134 11.782 58.440 31.111 1.00 0.16 BIS? 134 12,510 57,713 'μ ATOM 2139 C 30,020 1.00 0.16 μ ATOMO 2140 OR BIS? 134 11,908 57,336 29,016 1.00 0.16 0 TOMO 2141 CB BIS? 134 11.845 59.939 30.781 1.00 0.16 μ ATOM 2142 CG BIS? 134 11,133 60,773 31,803 1.00 0.16 μ ' ATOMO 2143 HDl BIS? 134 9.767 60.954 31.837 1.00 0.16 N ATOMO 2144 CD2 BIS? 134 11,627 61,476 32.85B 1.00 0.16 c ? TOMo 2145 CEI BIS? 134 9.506 61.751 32.903 1.00 0.16 F ATOMO 2146 HE2 BIS? 134 10.603 62.094 33.554 1.00 0.16 N ATOM 2147 B BIS? 134 12,816 58,920 32,852 1.00 0.00 H ATOMO 2148 B? BIS? 134 10,736 58,098 31,094 1.00 0.00 B ATOM 2149 1KB BIS? 134 11.406 60.080 29.778 1.00 0.00 H ATOMO 2150 2HB BIS? 134 12.890 60.276 30.715 1.00 0.00 H ATCMO 2151 HD2 BIS? 134 12,657 61,578 33,175 1.00 0.00 H ATOM 2152 HE1 BIS? 134 8 .543 62,184 33,088 1.00 0.00 B ATCMO 2153 BE2 BIS? 134 10,667 62,639 34,389 1.00 0.00 B TOMO 2154 H? SH? 135 13,835 57,507 30,179 1.00 0.14 N ATOMO 2155 C? SH? 135 14,631 56,982 29,100 1.00 0.14 C ATOM 2156 c? SH? 135 14.941 55.534 29.306 1.00 0.14 C ATOMO 2157 0 ASH? 135 14,867 55,010 30,416 1.00 0.14 0 ATOM 2158 CB? SH A 135 15,986 57,690 28,963 1.00 0.14 μ ATOMO 2159 CG ASH? 135 15,720 59,156 28,665 1.00 0.14 C ATOMO 2160 ODl? SH? 135 15,032 59,498 27.704 1.00 0.14 0 TCMO 2161 ND2? SH? 135 16,270 60,053 29,528 1.00 0.14 N TOMO 2162 B? SH? 135 14,277 57,581 31,090 1.00 0.00 H ATOM 2163 B? SN? 135 14,091 57,126 28,156 1.00 0.00 B ATOMO 2164 1HB ASN A 135 16,465 57,199 28,112 1.00 0.00 a ATOMO 2165 2HB ASN A 135 16.609 57.530 29.857 1.00 0.00 a ATOM 2166 1HD2 ASN A 135 16.809 S9.763 30.324 1.00 0.00 H ATOMO 2167 2HD2 ASN A 135 16,088 61,027 29,364 1.00 0.00 H ÁTOMO 2168 N XLE A 136 15,270 54,846 28,190 1.00 0.19 N ATOM 2169 C? ILE A 136 15,665 53,467 28,207 1.00 0.19 C ATOMO 2170 c XLE A 136 16,831 53,341 27,279 1.00 0.19 c TCMO 2171 or XLE? 136 16.909 54.042 26.272 1.00 0.19 0 TOMO 2172 CB XLE? 136 14,612 52,529 27,694 1.00 0.19 c ATOM 2173 CGl XLE? 136 15,014 51,070 27,966 1.00 0.19 c TCMO 2174 CG2 ILB? 136 14,381 52,844 26,207 1.00 0.19 c TCMO 2175 CDl XLE? 136 13,874 50,077 27.751 1.00 0.19 c ATOM 2176 H XLE? 136 15,312 55,307 27,283 1.00 0.00 a ATOM 2177 H? ILE? 136 15.976 53.224 29.234 1.00 0.00 H ATOMO 2178 HB ILE? 136 13,653 52,762 28,141 1.00 0.00 H ATOMO 2179 1BC1 ILE? 136 15,391 50,970 28,996 1.00 0.00 ATOMO 2180 2HG1 ILE? 136 15,848 50,770. "27.308 1.00 0.00 ATOMO 2181 1BG2 XLE? 136 13,544 52,256 25,812 1.00 0.00 to 8 ATOMO 2182 2BG2 ILE? 136 14,172 53,918 26,193 1.00 0.00 B ATCMO 2183 3BG2 XLE? 136 1S.231 52,583 25,560 1.00 0.00 B ATCMO 2184 1BD1 XLE? 136 14,060 49,114 28,250 1.00 0.00 ATOM B 2185 2 HDl XLB? 136 12,927 50,491 28.101 1.00 0.00 « ATOMO 2186 3HD1 XLE? 136 13,745 49,876 26,675 1.00 0.00 H ATOMO 2187 H BE? 137 17,788 52,452 27.604 1.00 0.24 N ATCMO 2188 C? BE ? 137 18,920 52,298 26,741 1.00 0.24 le ATOM 2189 C SER.? 137 19,203 50,837 26. 610 1.00 0.24 c ATCMO 2190 OR SBR? 137 19.102 50.085 27.577 1.00 0.24 0 ATOMO 2191 CB SER? 137 20,185 52,972 27,299 1.00 0.24 ATOMO 2192 OG SBR? 137 21,276 52,795 26,411 1.00 0.24 ic SER? 137 17,731 51,800 28 .369 1.00 0.00 P ATOMO 2193 B 94 H? SBR? 137 18,669 52,741 25.782 1.00 0.00! H H ATOMO 21 ATOMO 2195 1HB SBR? 137 20,484 52,516 28,253 1.00 0.00 H ATOMO 2196 2HB SER? 137 20,000 54,044 27,484 1.00 0.00 H ATOM 2197 HG SER? 137 20.990 53.121 25.543 1.00 0.00 B ATOMO 2198 H ILE A 138 19,553 50,391 25,389 1.00 0.31 H ATOM 2199 C? XLE A 138 19,872 49,009 25,203 1.00 0.31 c ATOMO 2200 c XLE? 138 21,299 48,973 24.779 1.00 0.31 C TCMO 2201 or XLB? 138 21. 688 49,613 23.804 1.00 0.31 0 ATOM 2202 CB XLE? 138 19,075 48,358 24,114 1.00 0.31 C ATOM 2203 CGl ILE? 138 17,571 48,461 24,424 1.00 0.31 C ATOM 2204 CG2 XLE A 138 19,578 46,912 23,962 1.00 0.31 je TCMO 2205 CDl ILB A 138 16,674 48,147 23,229 1.00 0.31 c ÁTOMO 2206 B XLE A 138 19,620 51,007 24,588 1.00 0.00 a ATOM 2207 B? XLE A 138 19,710 48,445 26,135 1.00 0.00 a ATOMO 2208 BB XLE A 138 19,268 48,858 23,155 1.00 0.00 H ATOMO 2209 1BG1 XLB A 138 17.316 49.490 24.735 1.00 0.00 H ? TCMO 2210 2BG1 XLB? 138 17,309 47,817 25,281 1.00 0.00 fl ATOMO 2211 1HG2 XLB? 138 18,854 46,237 23,492 1.00 0.00 H ATOM 2212 2HG2 ILE? 138 20,505 46,865 23,369 1.00 0.00 H ATOMO - 2213 3HG2 ILB A 138 19.788 46.455 24.944 1.00 0.00 H ATOMO 2214 1BD1 XLE A 138 15,696 48,643 23,340 1.00 0.00 H ATOMO 2215 2BD1 XLE? 138 17,111 48,502 22,288 1.00 0.00 fl ATOM 2216 3HD1 ILB? 138 16,456 47,073 23. 163 1.00 0.00 H ATOM 2217 N TBR? 139 22,134 48,214 25.502 1.00 0.40 N ATOMO 2218 C? TBR? 139 23.S15 48,187 25,136 1.00 0.40 C ATCMO 2219 c TBR? 139 23,749 46,939 24,359 1.00 0.40 C ATOM 2220 or THR? 139 23,036 45,952 24,535 1.00 0.40 or ATOM 2221 CB THR? 139 24,443 48,189 26,311 1.00 0.40 C ATOM 2222 OG1 TBR? 139 24,163 47,077 27,147 1.00 0.40 or ATCMO 2223 CG2 TBR A 139 24.261 49.504 27.085 1.00 0.40 c ATOMO 2224 H THR? 139 21,880 47,655 26,299 1.00 0.00 H ATOMO 2225 H? THR A 139 23,767 49,068 24,524 1.00 0.00 H ATOM 2226 HB THR? 139 25,487 48,132 25,945 1.00 0.00 H ATOMO 2227 BG1 THR? 139 24,393 46,277 26. 647 1.00 0.00 H ATOM 2228 1HG2 THR? 139 24,974 49,573 27,923 1.00 0.00 H ATCMO 2229 2HG2 THR? 139 24,422 50,381 26,437 1.00 0.00 H ATCMO 2230 3HG2 THR? 139 23,249 49,577 27,515 1.00 0.00 H ATOMO 2231 N? SH? 140 24.763 46.972 23.470 1.00 0.29 N ? TOMO 2232 C? ? SN A 140 25,086 45,844 22,647 1.00 0.29 C ATOM 2233 c ASN? 140 23,840 45,344 21,994 1.00 0.29 c ATCMO 2234 or? SN? 140 23,385 44,235 22,272 1.00 0.29 b ATCMO 2235 CB ASM? 140 25,727 44,681 23,423 1.00 0.29 c ATOM 2236 CG ASN A 140 27,131 45,102 23,832 1.00 0.29 1 ASN A 140 27,317 45,982 24,671 1.00 0.29 μ ATOM 2237 OD or ATOM 2238 ND2 ASN? 140 28,154 44,447 23,222 1.00 0.29 N ATOMO 2239 B ASN A 140 25.3S1 47,783 23,365 1.00 0.00 H ÁTOMO 2240 HA ASN A 140 25.796 46.179 21.874 1.00 0.00 fl ATCMO 2241 1HB ASN A 140 25,766 43,791 22,770 1.00 0.00 H ATOMO 2242 2HB ASN A 140 25,173 44,406 24,334 1.00 0.00 B ATCMO 2243 1HD2 ASN A 140 27,995 43,721 22,547 1.00 0.00 B ATOM 2244 2HD2? SN? 140 29,087 44,710 23,487 1.00 0.00 a ATOM 2245 N ALA? 141 23,250 46,167 21.107 1.00 0.26 N ? TOMO 2246 C? WING A 141 22,029 45,798 20,453 1.00 0.26 c ATCMO 2247 c WING A 141 22,269 44,561 19,652 1.00 0.26 c ATOM 2248 or ALA A 141 23,383 44,293 19,206 1.00 0.26 or ATOMO 2249 CB ALA A 141 21,490 46,878 19,499 1.00 0.26 fc ATOMO 2250 B WING A 141 23,587 47,104 20,927 1.00 0.00 H ATOMO 2251 B? WING A 141 21,258 45,608 21,225 1.00 0.00 fl ATOMO 2252 1HB WING A 141 20,549 46,526 19,046 1.00 0.00 H ÁTOMO 2253 2HB ALA A 141 21,267 47. BOß 20,048 1.00 0.00 H ATOMO 2254 3HB WING A 141 22.201 47.104 18 .690 1.00 0.00 B ? TOMO 2255 N THR A 142 21,198 43,763 19,475 1.00 0.35 N ATOMO 2256 C? THR A 142 21,277 42,535 18,746 1.00 0.35 c ATCMO 2257 C THR A 142 20.122 42.498 17.797 1.00 0.35 c ATOM 2258 0 THR? 142 19,288 43,401 17,779 1.00 0.35? ATOMO 2259 CB THR? 142 21,175 41,319 19,617 1.00 0.35 c ATOMO 2260 061 THR A 142 21,424 40,145 18,859 1.00 0.35 0 ATCMO 2261 CG2 TBR A 142 19.764 41.270 20.230 1.00 0.35 [μ ATOMO 2262 H THR A 142 20.268 44.072 19.709 1.00 0.00 H ATOM 2263 H? TBR A 142 22,202 42,492 18,164 1.00 0.00 H ? TOMO 2264 HB TBR A 142 21,924 41,382 20,430 1.00 0.00 H ? TOMO 2265 BG1 TBR A 142 - 20,924 39,425 19,314 1.00 0.00 H ATOMO 2266 1BG2 TBR A 142 19,677 40,455 20 966 1.00 0.00 B ATOM 2267 2HG2 THR A 142 19,545 42,189 20,799 1.00 0.00 H ATOMO 2268 3BG2 THR A 142 19,002 41,155 19,495 1.00 0.00 H ATOMO 2269 N VAL A 143 20,067 41,439 16,968 1.00 0.29 N ATOMO 2270 C? VAL A 143 19,038 41,271 15,985 1.00 0.29 ? TOMO 2271 c VAL A 143 17.723 41.121 16.680 1.00 0.29" ATOMO 2272 or VAL A 143 16.696 41.601 16.203 1.00 0.29 O? TOMO 2273 CB VAL? 143 19,256 40,063 15,127 1.00 0.29 C ATOM 2274 CGl VAL? 143 18,096 39,966 14,112 1.00 0.29 C ATCMO 2275 CG2 VAL A 143 20,644 40,180 14,470 1.00 0.29 c ATOMO 2276 H VAL A 143 20.761 40.704 17.079 1.00 0.00 H ATCMO 2277 B? VAL A 143 18,850 42,036 15,329 1.00 0.00 H ATOM 2278 BB VAL? 143 19,249 39,139 15,730 1.00 0.00 fl ATCMO 2279 1BG1 VAL A 143 18,282 39,173 13,377 1.00 0.00 H ATONO 2280 2HG1 VAL A 143 17,142 .39,710 14,609 1.00 0.00 H ATOM 2281 3HG1 VAL? 143 17,963 40,905 13,559 1.00 0.00 H ÁTOMO 2282 1HG2 VAL A 143 20,742 39,540 13,578 1.00 0.00 H ÁTOMO 2283 2HG2 VAL A 143 20,859 41,210 14,167 1.00 0.00 H ATCMO -2284 3HG2 VAL A 143 21,447 39,879 15,163 1.00 0.00 a ÁTOMO 2285 H GLO A 144 17.728 40.452 17.845 1.00 0.25 ATOM 2286 C? GLU A 144 16,522 40,216 18,585 1.00 0.25 c ÁTOMO 2287 c GLU A 144 15,953 41,542 18,969 1.00 0.25 c ATOM 2288 or GLU? 144 14,738 41,707 19,072 1.00 0.25 0 ATOMO 2289 CB GLU? 144 16,760 39,414 19,874 1.00 0.25 c ATOM 2290 CG GLU? 144 17,200 37,977 19,597 1.00 0.25 c ATOM 2291 CD GLU? 144 18,626 38,030 19,072 1.00 0.25 c ATOMO 2292 OEl GLO? 144 19,542 38,318 19,886 1.00 0.25? ATCMO 2293 OE2 GLO? 144 18,817 37,791 17,849 1.00 0.25 01 ATOM 2294 H GLU? 144 18,487 39,800 18,039 1.00 0.00 a ATOMO 2295 B? GLU? 144 15.773 39.697 17.962 1.00 0.00 H ATOM 2296 1HB GLU? 144 15.791 39.405 20.406 1.00 0.00 H ATOMO 2297 2BB GLU? 144 17,460 39,925 20,552 1.00 0.00 H ATOM 2298 1BG GLU? 144 16,520 37,493 18,878 1.00 0.00 B ATCMO 2299 2HG GLU? 144 17,181 37,402 20,537 1.00 0.00 H ATOMO 2300 H? SP? 14S 16,834 42,535 19,171 1.00 0.22 N ? VOLUME 2301 C? ASP A 145 16,438 43,836 19,619 1.00 0.22 C TOMO 2302 c ASP? 145 15,451 44,418 18,657 1.00 0.22 c TOMO 2303 or? SP? 145 14,495 45,069 19,079 1.00 0.22 or ATOMO 2304 CB? SP? 145 17,632 44,802 19,718 1.00 0.22 c ATCMO 2305 CG? SP? 145 17,196 46,073 20,435 1.00 0.22 c TCMO 2306 OD1? SP? 145 16,201 46,706 19,992 1.00 0.22 or TOMO 2307 OD2? SP? 145 17,856 46,424 21,448 1.00 0.22 01 ÁTOMO 230B H? SP A 145 17,800 42,416 18,901 1.00 0.00 B ? TOMO 2309 B? ASP A 145 15.940 43.74S 20.598 1.00 0.00 fl ATOMO 2310 1HB ASP A 145 17.956 45.106 18.717 1.00 0.00 H ATOMO 2311 2BB ASP A 145 18.467 44.343 20.264 1.00 0.00 H ATOMO 2312 H SER A 146 15.63B 44.196 17.341 1.00 0.20 N ATOM 2313 C? BE A 146 14,748 44,779 16,374 1.00 0.20 C ATONO 2314 c SER A 146 13.344 44.384 16.696 1.00 0.20 C ATONO 2315 or BE? 146 13,085 43,287 17,191 1.00 0.20 0 ÁTONO 2316 CB SER? 146 15,037 44,343 14.926 1.00 0.20 C ? TOMO 2317 OG SER? 146 14.798 42.951 14.780 1.00 0.20 or ATOM 2318 to BE? 146 16,339 43,525 17,064 1.00 0.00 H ATOMO 2319 B? BE ? 146 14,867 45,875 16,450 1.00 0.00 H ATOM 2320 1BB SER? 146 16,065 44,568 14,651 1.00 0.00 B ATONO 2321 2HB SER? 146 14,320 44,815 14,248 1.00 0.00 ATOM 2322 HG SER? 146 15,341 42,471 15,433 1.00 0.00 H ATOM 2323 H GLY? 147 12,394 45,305 16,442 1.00 0.21 N ÁTOMO 2324 CA GLY A 147 11,020 45,025 16,735 1.00 0.21 C ATOM 2325 C - GLY? 147 10.301 46.331 16.762 1.00 0.21 c ATOM 2326 OR GLY? 147 10,814 47,349 16,299 1.00 0.21 0 ATOM 2327 H GLY? 147 12,612 46,212 16,041 1.00 0.00 H ÁTOMO 2328 IBA GLY A 147 10.941 44.526 17.716 1.00 0.00 H ATONO 2329 2BA GLY A 147 10,566 44.36S 15.975 1.00 0.00 H ATCMO 2330 H THR A 148 9,071 46,328 17.306 1.00 0.17 N ATCMO 2331 C? THR.A 148 8.323 47.544 17.360 1.00 0.17 C ÁTOMO 2332 c THR A 148 8.332 47.996 18.779 1.00 0.17 c ATCMO 2333 or TKR A 148 8,106 47,205 19,694 1.00 0.17 or ATOMO 2334 CB TKR A 148 6,895 47,375 16,948 1.00 0.17 c ATOMO 2335 OG1 TBR A 148 6.829 46.867 15.623 1.00 0.17? ATOM 2336 CG2 THR? 148 - 6,209 48,746 17,013 1.00 0.17 c ATOMO 2337 H THR? 148 8.580 45.466 17.587 1.00 0.00 H ATOM 2338 H? THR A 148 8,769 48,280 16,678 1.00 0.00 H ATOMO 2339 HB THR A 148 6.366 46.654 17.589 1.00 0.00 H ÁTOMO 2340 HG1 THR A 148 7,020 47,622 15,041 1.00 0.00 H ATOMO 2341 1BG2 THR A 148 5.1S1 48,632 16,730 1.00 0.00 H ATCMO 2342 2HG2 THR A 148 6.285 49.123 18.038 1.00 0.00 H ATCMO 2343 3HG2 THR A 148 6.671 49.461 16.318 1.00 0.00 H ATOM 2344 N TYR? 149 8.616 49.292 19.001 1.00 0.12 H ATOMO 2345 C? TYR? 149 8.660 49.790 20.343 1.00 0.12 ATCMO 2346 c TYR A 149 7.643 50.872 20.494 1.00 0.12 ATOM 2347 or TYR? 149 7.419 51.669 19.586 1.00 0.12 ATOM 2348 CB TYR? 149 9.999 50.438 20.732 1.00 0.12 C ATOM 2349 CG TYR? 149 11,045 49,387 20,866 1.00 0.12 ATOM 2350 CDl TYR? 149 11,674 48,868 19,759 00 0.12 ATOM 2351 CD2 TYR? 149 11.402 48.934 22.113 00 0.12 ATOM 2352 CEI? YR? 149 12,644 47,904 19,899 00 0.12 ATOM 2353 CB2 TYR? 149 12,372 47,971 22,260 00 0.12 ATOM 2354 CZ TYR A 149 12,993 47,454 21,150 00 0.12 ATOMO -2355 OH TYR A 149 13,989 46,466 21,293 00 12 s or ATCMO 2356 H TYR A 149 8,800 49,943 18,247 1.00 00 H ATOM 2357 B? TYR A 149 8.441 48.967 21.010 1.00 00 B ATOMO 2358 1HB TYR A 149 9.845 50.916 21.708 1.00 00 a? TCMO 2359 2HB TYR? 149 10,289 51,212 20,005 1.00 00 a? TCMO 2360 HDl TYR? 149 11.401 49.211 18.764 1.00 00 B ATOM 2361 BD2 TYR? 149 10.960 49.396 22.992 1.00 0.00 a? TCMO 2362 BBl TYR? 149 13.122 47.493 19.011 1.00 0.00 B ATOM 2363 BE2 TYR? 149 13,003 48,093 23,120 00 0.00 B ATOM 2364 BB TYR? 149 14,639 46,549 20,554 00 0.00 B ATOM 2365 N TYR? 150 6.980 50.898 21.666 00 0.12 H ATOMO 2366 C? TYR? 150 6.072 51.960 21.976 00 0.12 C ATCMO 2367 C TYR? 150 6.183 52.188 23.446 00 0.12 c? TCMO 2368 OR TYR? 150 6,750 51,369 24,169 1.00 0.12 or ATOM 2369 CB TYR? 150 4.570 51.774 21.565 1.00 0.12 c ATOMO 2370 CG TYR? 150 3,990 50,559 22,220 1.00 0.12 c ATOM 2371 CDl TYR? 150 3.295 50.653 23.419 1.00 0.12 c ATCMO 2372 CD2 TYR? 150 4,191 49,295 21,666 1.00 0.12 c ATCMO 2373 CEI TYR? 150 2,907 49,520 24,112 1.00 0.12 c ATOM 2374 CE2 TYR? 150 3.811 48.152 22.340 1.00 0.12 c? TOMO 2375 CZ TYR? ISO 3.225 48.255 23.614 1.00 0.12 c ATOMO 2376 CB TYR? 150 3,066 47,123 24,350 1.00 0.12 or ATOM 2377 H TYR? 150 7.166 50.227 22.400 1.00 0.00 H ATOM 2378 B? TYR? 150 6,447 52,877 21,485 1.00 0.00 at ATOM 2379 1BB TYR? 150 4,500 51,683 20,480 1.00 0.00 to ATCMO 2380 2BB TYR? 150 4,025 52,689 21,836 1.00 0.00 H ATOM 2381 HDl TYR? 150 3.054 51.631 23.829 1.00 0.00 to ATCMO 2382 HD2 TYR? 150 4.684 49.206 20.701 1.00 0.00 to ATCMO 2383 HB1 TYR? 150 2.366 49.635 25.050 1.00 0.00 to ATOMO 2384 HE2 TYR? 150 3,992 47,177 21,897 1.00 0.00 to ATCMO 2385 BB TYR? 150 2,670 47,379 25,192 1.00 0.00 H ATOMO 2386 N CYS? 151 5,668 53,328 23,936 1.00 0.27 H ATOMO 2387 C? CYS? 151 5.851 53.607 25.325 1.00 0.27 ATOMO 2388 c CYS? 151 4.536 53.997 25.912 1.00 0.27"ATOM 2389 or CYS? 151 3648 54,482 25,215 1.00 0.27 OR ATOM 2390 CB CYS? 151 6,843 54,762 25,548 1.00 0.27 ATOMUM 2391 SG CYS? 151 7,171 55,139 27,291 1.00 0.27 ATOMUM 2392 H CYS? 151 5,071 53,942 23.414 1.00 0.00 to ATOMO 2393 H? CYS A 151 6.219 52.717 25.849 1.00 0.00 to ATOM 2394 1HB CYS A 151 6.499 55.675 25.037 1.00 0.00 to ATOM 2395 2BB CYS A 151 7.796 54.462 25.083 1.00 0.00 to ATCMO 2396 H THR A 152 4.373 53.738 27.222 1.00 0.37 N ATOM 2397 C? THR A 152 3.202 54.153 27.934 1.00 0.37 0.37 C ATOMO 2398 c THR A 152 3.659 54.946 29.104 1.00 0.37 0.37 ATOMO 2399 or THR A 152 4.747 54.733 29.635 1.00 0.37 ATOMO 2400 CB TBR A 152 2.327 53.042 28.434 1.00 0.37 ATCMO 2401 OG1 THR A 152 3.105 52.054 29,091 1.00 0.37 or ATOM 2402 CG2 THR.A 1S2 1,524 52,454 27,271 1.00 0.37 ic ATOMO 2403 at THR A 152 5,098 53,297 27,770 1.00 0.00 at ATCMO 2404 BA THR A 152 2,623 54,822 27,283 1.00 0.00 H ATOM 2405 BB THR A 152 1,589 53,466 29,145 1.00 0.00 B ATOMO 2406 BG1 THR A 152 3.224 52.392 29.991 1.00 0.00 H ATCMO 2407 1HG2 THR A 152 0.849 51.662 27.628 1.00 0.00 B ATOM 2408 2BG2 THR A 152 0.960 53.241 26.770 1.00 0.00 B ATOM 2409 3BG2 THR A 152 2.188 51.996 26.521 1.00 0.00 B ATOMO 2410 H GLY? 153 2,829 55,919 29.S20 1.00 0.21 H ATOM 2411 C? GLY A 153 3.195 56.730 30.637 1.00 0.21 C ATOMO 2412 C GLY? 153 1,974 57,474 31,040 1.00 0.21 c ATOM 2413 OR GLY A 153 1,021 57,588 30,271 1.00 0.21 886 56,034 P ATOM 2414 B GLY A 153 1. 29,142 1.00 0.00 H ATONO 2415 IBA GLY? 153 3,993 57,444 30,370 1.00 0.00 H ATOM 2416 2HA GLY? 153 3.543 56.101 31.450 1.00 0.00 H ATOM 2417 H LYS A 154 1,972 58,006 32,275 1.00 0.12 N ATOMO 2418 C? LYS? 154 0.807 58.711 32.702 1.00 0.12 C TOMO 2419 C LYS? 154 1,155 60,151 32,821 1.00 0.12 c ATOMO 2420 OR LYS? 154 2,059 60,530 33,565 1.00 0.12 0 ATOM 2421 CB LYS? 154 0.290 58.265 34.077 1.00 0.12 c ATOM 2422 CG LYS? 154 -0.176 56.810 34.106 1.00 0.12 c ATOM 2423 CD LYS? 154 -0.395 56.275 35.521 1.00 0.12 c ATCMO 2424 CB LYS? 154 -0.863 54.818 35.557 1.00 0.12 c ATOM 242S NZ LYS? 154 -1,046 54,378 36,959 1.00 0.12 N1 + ÁTOMO -2426 B LYS A 154 2,733 57.89B 32,935 1.00 0.00 8 ATOM 2427 H? LYS? 154 0.031 58.632 31.958 1.00 0.00 B ATOM 2428 1BB LYS? 154 -0.S26 58.939 34.362 1.00 0.00 a ATOMO 2429 2HB LYS A 154 1,176 58,355 34,684 1.00 0.00 H ATOM 2430 1HG LYS? 154 0.548 56.156 33.586 1.00 0.00 H ATOM 2431 2BG LYS A 154 -1,115 56,752 33,543 1.00 0.00 H ATCMO 2432 1HD LYS A 154 -1,072 56,939 36,083 1.00 0.00 H ATOM 2433 2BD LYS? 154 0.602 56.301 35.950 1.00 0.00 H ATOMO 2434 1HE LYS A 154 -0.129 54,147 35,080 1.00 0.00 H TOMO 2435 2HE LYS A 154 -1,829 54,686 35,041 1.00 0.00 H ATOM 2436 1HZ LYS A 154 -1,436 53,444 36,999 1.00 0.00 R ATCMO 2437 2HZ LYS A 154 -0.179 54.358 37.466 1.00 0.00 H ATCMO 2438 3BZ LYS? 154 -1.701 54.977 37.445 1.00 0.00 H ATOMO 2439 H VAL? 155 0.441 60.994 32.056 1.00 0.20 N ATOM 2440 C? VAL? 155 0.620 62.404 32.171 1.00 0.20 c ATOMO 2441 C VAL A 1SS -0.646 62.882 32.782 1.00 0.20 c ATOMUM 2442 OR VAL A 155 -1.735 62.479 32.374 1.00 0.20 or ATOM 2443 CB VAL A 155 0.804 63.105 30.854 1.00 0.20 c ÁTOMO 2444 CGl VAL A 155 2,117 62,612 30,221 1.00 0.20 c ATOMO 2445 CG2 VAL? 1SS -0.439 62.853 29.983 1.00 0.20 c ÁTOMO 2446 H VAL A 155 -0.465 60.701 31.705 1.00 0.00 H ATOM 2447 B? VAL A 155 1,474 62,627 32,829 1.00 0.00 H ATOMO 2448 HB VAL? 155 0.898 64.185 31.070 1.00 0.00 a ATOM 2449 1BG1 VAL A 155 2,526 63,319 29,484 1.00 0.00 H ATCMO 2450 2BG1 VAL A 155 2,861 62,443 31,007 1.00 0.00 H ATOMO 2451 3HG1 VAL A 155 1,975 61,644 29,711 1.00 0.00 H ATCMO 2452 1HG2 VAL A 155 -0.249 63,172 28,942 1.00 0.00 H ATOM 2453 2BG2 VAL A 15S -0,649 61,785 29,939 1.00 0.00 H ATOM 2454 3BG2 VAL A 155 -1,343 63,391 30,285 1.00 0.00 H ATCMO 2455 H TRP A 156 -0.539 63.723 33.820 1.00 0.33 N ATOM 2456 C? TRP A 156 -1,740 64,153 34,455 1.00 0.33 C ATOMO 2457 c TRP? 156 -2,323 62,911 35,034 1.00 0.33 C ATOM 2458 or TRP? 156 -1.605 61.962 35.350 1.00 0.33 O ATOM 24S9 CB TRP? 156 -2,765 64,766 33,483 1.00 0.33 c ATOM 2460 CG TRP? 156 -2,277 66,008 32.771 1.00 0.33 c ATOMO 2461 CDl TRP? 156 -1,694 66,113 31,543 1.00 0.33 c ATOM 2462 CD2 TRP? 156 -2,345 67,341 33,303 1.00 0.33 c ATOM 2463 NEI TRP? 156 -1,392 67,427 31.27S 1.00 0.33 N ATOM 2464 CB2 TRP? 156 -1.787 68.195 32.350 1.00 0.33 c ATCMO 2465 CE3 TRP A 156 -2,832 67,816 34,487 1.00 0.33 c ATCMO 2466 CZ2 TRP A 156 -1.705 69.541 32.569 1.00 0.33 c ATOM 2467 CZ3 TRP? 156 -2,748 69,175 34.703 1.00 0.33 c ATOM 2468 CH2 TRP? 156 -2,195 70,021 33.763 1.00 0.33 c ATCMO 2469 to TRP? 156 0.348 64.062 34.155 1.00 0.00 H ATCMO 2470 B? TRP? 156 -1.505 64.859 35.270 1.00 0.00 H TCMO 2471 1HB TRP? 156 -3,617 65,114 34,092 1.00 0.00 H ATCMO 2472 2HB TRP? 156 -3,230 64,080 32.765 1.00 0.00 H ÁTOMO 2473 HDl TRP.A 156 -1,470 65,339 30,827 1.00 0.00 H ATOM 2474 HE1 TRP A 156 -0.853 67.759 30.508 1.00 0.00 H ATCMO 2475 BE3 TRP? 156 -3,265 67,164 35,237 1.00 0.00 H ATCMO 2476 HZ2 TRP? 156 -1,272 70,204 31,826 1.00 0.00 H ATOM 2477 HZ3 TRP? 156 -3.122 69.593 35.635 1.00 0.00 H ATOM 2478 BH2 TRP? 156 - -2,143 71,087 33,972 1.00 0.00 H ATOM 2479 N GLN A 157 -3,656 62,899 35,190 1.00 0.49 N ATOM 2480 C? GLN A 157 -4,338 61,769 35,739 1.00 0.49 C ATOMO 2481 C GLN A 157 -4,276 60,630 34.773 1.00 0.49 c ATCMO 2482 OR GLN A 157 -4,048 59,485 35,160 1.00 0.49 or ATOM 2483 CB GLN A 157 -5,830 62,050 35,969 1.00 0.49 c ATOMO 2484 CG GLN A 157 -6,082 63,297 36,814 1.00 0.49 c ATCMO 2485 CD GLN A 157 -5.294 63.145 3B.101 1.00 0.49 c ATOM 2486 GLN? 157 -5.354 62.107 38.756 1.00 0.49 q ATOM 2487 NE2 GLN? 157 -4,525 64,203 38,466 1.00 0.49 N ATCMO 2488 H GLN? 157 -4,225 63,687 34,941 1.00 0.00 H ATOM 2489 HA GLN? 157 -3.849 61.453 36.673 1.00 0.00 H ATOMO 2490 1HB GLN? 157 -6,280 61,160 36,442 1.00 0.00 H ATCMO 2491 2HB GLN A 157 -6.355 62.215 35.031 1.00 0.00 B ATOMO 2492 1HG GLN A 157 -7,147 63,381 37,094 1.00 0.00 H ATOMO 2493 2HG GLN? 157 -5,821 64,214 36,260 1.00 0.00 H ATOMO 2494 1BE2 GLN? 157 -4,495 65,056 37,942 1.00 0.00 H ATOM 2495 2HB2 GLN? 157 -3,997 64,103 39,316 1.00 0.00 H ATOM 2496 N LEO A 158 -4,459 60,932 33,473 1.00 0.41 N ATOMO -2497 C? LEO A 158 -4,607 59,905 32,483 1.00 0.41 c ATOM 2498 c LEU? 158 -3.306 59.269 32.127 1.00 0.41 c ATCMO 2499 0 LEO? 158 -2,227 59,803 32,381 1.00 0.41 or ATCMO 2500 CB LEU? 158 -5,252 60,399 31,176 1.00 0.41 c ATOMO 2501 CG LEO? 158 -6,699 60,889 31,364 1.00 0.41 c ATOMO 2502 CDl LEUA 158 -7,628 59,742 31,796 1.00 0.41 c TCMO 2503 CD2 LEU? 158 -6.758 62.101 32.310 1.00 0.41 c ATOMO 2504 B LEU? 158 -4,372 61,876 33,144 1.00 0.00 H ATCMO 2505 H? LEO? 158 -S.247 59,120 32,926 1.00 0.00 8 ATOMO 2506 1HB LEU? 158 -5,231 59,590 30,425 1.00 0.00 H ATOMO 2507 2KB LEU? 1S8 -4,656 61,226 30.773 1.00 0.00 H? TOMO 2508 HG LEU? 1S8 -7.047 61.227 30.367 1.00 0.00 H ATCMO 2509 1BD1 LEU? 158 -8.682 60.066 31.788 1.00 0.00 H ATOMO 2510 2HD1 LEU? 158 -7,548 58,883 31.108 1.00 0.00 H ATOMO 2511 3HD1 LEU? 158 -7,408 59,385 32,814 1.00 0.00 H ATCMO 2512 1HD2 LEU? 158 -7.652 62.708 32.086 1.00 0.00 H ATOM 2513 2HD2 LEU? 158 -6,896 61,750 33,331 1.00 0.00 H ATCMO 2514 3BD2 LEU? 15B -5.894 62.776 32.222 1.00 0.00 H ATCMO 2515 N? SP? 159 -3.419 58.062 31.533 1.00 0.19 N ATOMO 2516 C? ? SP A 159 -2,310 57,288 31,058 1.00 0.19 C ÁTOMO 2517 c ASP A 159 -2,414 57,323 29,566 1.00 0.19 C ÁTOMO 2518 0? SP A 159 -3.504 57.198 29.009 1.00 0.19 O ATOMO 2519 CB ASP? 159 -2,381 55,809 31,503 1.00 0.19 c ÁTOMO 2520 CG ASP A 159 -1.124 55.027 31.117 1.00 0.19 c ATOM 2521 001? SP? 159 -0.378 55.468 30.205 1.00 0.19 or ATCMO 2522 002? SP? 159 -0.904 53.956 31.744 1.00 0.19 01 ÁTOMO 2523 B? SP A 159 -4,304 57,666 31,271 1.00 0.00 H ATOM 2524 H? ? SP A 159 -1.394 57.724 31.412 1.00 0.00 B ATCMO 2525 1HB? SP? 159 -3,242 55,320 31,016 1.00 0.00 H ATOMO 2S26 2HB ASP? 159 -2,577 55,702 32,580 1.00 0.00 8 ATOM 2527 H TYR A 160 -1,279 57,531 28,874 1.00 0.11 N ATOMO 2528 C? TYR A 160 -1,321 57,584 27,443 1.00 0.11 C ATOMO 2529 c TYR A 160 -0.381 56.562 26.901 1.00 0.11 c ? TCMO 2530 or TYR A 160 0.535 56.111 27.589 1.00 0.11 or ATCMO 2531 CB TYR A 160 -0.884 58.937 26.857 1.00 0.11 c ATCMO 2532 CG TYR A 160 -1,939 59,942 27,171 1.00 0.11 c ATCMO 2533 CDl TYR A 160 -2,067 60,462 28,439 1.00 0.11 c ATOM 2534 CD2 TYR A 160 -2,794 60,378 26,185 1.00 0.11 c ATOM 2535 CEI TYR A 160 -3,042 61,390 28,720 1.00 0.11 c ATOM 2536 CE2 TYR A 160 -3.771 61.306 26.459 1.00 0.11 c ? TOMO 2537 CZ TYR A 160 -3,895 61,814 27,730 1.00 0.11 c ATOM 2538 OH TYR A 160 -4,895 62,767 28,019 1.00 0.11 or ATOM 2539 H TYR A 160 -0,429 57,158 29,312 1.00 0.00 H ATOM 2540 H? TYR A 160 -2,323 57,325 27.0B7 1.00 0.00 H ÁTOMO 2541 1HB TYR A 160 -0.756 58.828 25.769 1.00 0.00 H ÁTOMO 2542 2HB TYR A 160 0.099 59.231 27.261 1.00 0.00 H ATOMO 2543 HDl TYR A 160 -1.420 60.088 29.225 1.00 0.00 H ATCMO 2544 HD2 TYR. A 160 -2,708 59,975 25,179 1.00 0.00 H ATCMO 2545 BEI TYR A 160 -3,087 61,827 29,711 1.00 0.00 H ATOM 2546 BE2 TYR? 160 -4,440 61,623 25,662 1.00 0.00 H ÁTOMO 2547 HB TYR A 160 -5,696 62,470 27,566 1.00 0.00 H ATOM 2548 N GLU? 161 -0.622 56,144 25,643 1.00 0.12 N ATOM 2549 C? GLU A 161 - 0.262 55.219 25.000 1.00 0.12 C ATOMO 2550 c GLU? 161 0.753 55.893 23.762 1.00 0.12 c ATCMO 2551 or GLU? 161 0.033 56,669 23,135 1.00 0.12 or ATOM 2552 CB GLU? 161 -0.537 53.970 24.530 1.00 0.12 c ATOM 2553 CG GLO? 161 -1.765 53.494 25.343 1.00 0.12 c ATOMO 2554 CD GLO? 161 -1,424 52,544 26.509 1.00 0.12 c ATCMO 2555 OEl GLO? 161 -1,294 51,360 26,186 1.00 0.12 or ATO OR 2556 OE2 GLU A 161 -1,270 53,072 27,616 1.00 0.12 Ol-? VOLUME 2557 H GLU A 161 -1,390 56,468 25,083 1.00 0.00 H ATOM 2558 B? GLU? 161 1,082 54,949 2S,668 1.00 0.00 H ATOMO 2559 1BB GLO? 161 0.1S7 53.123 24.376 1.00 0.00 H ATOMO 2560 2HB GLU A 161 -0.927 54.220 23.S31 1.00 0.00 H ATOM 2561 1BG GLU? 161 -2,415 52,932 24. 651 1.00 0.00 H ATOM 2562 2HG GLU? 161 -2,358 54,344 25.709 1.00 0.00 H ATCMO 2563 N SER? 162 2,020 55,632 23,397 1.00 0.11 N ATOMO 2564 C? BE ? 162 2,598 56,250 22,242 1.00 0.11 c ATOM 2565 c SER? 162 2,381 55,367 21,065 1.00 0.11 c ATOM 2566 0 SER? 162 1.967 54.216 21.196 1.00 0.11 or ÁTOMO 2567 CB SER? 162 4.113 56.489 22.371 1.00 0.11 c ATCMO .2568 OG SER A 162 4,614 57,110 21,196 1.00 0.11 or ? TCMO 2569 B SER? 162 2,604 55,025 23,964 1.00 0.00 H ATCMO 2570 B? BE ? 162 2,118 57,229 22,070 1.00 0.00 a ATCMO 2571 1HB SER? 162 4,627 55,527 22,518 1.00 0.00 H ATOMO 2572 2BB SER A 162 4,316 57,117 23,249 1.00 0.00 H ATOM 2573 BG SER? 162 5.S77 57,118 21,318 1.00 0.00 H ATOM 2574 H GLO? 163 2,640 55,915 19,864 1.00 0.13 N ATOM 2575 C? GLU? 163 2.517 55.151 18. 661 1.00 0.13 C ATCMO 2576 c GLU? 163 3,757 54,333 18,544 1.00 0.13 c ATOM 2577 0 GLU? 163 4.830 54.718 19.006 1.00 0.13 6 ATOMO 2578 CB GLO? 163 2,382 56,031 17.407 1.00 0.13 c ATOM 2579 CG GLU? 163 3,567 56,976 17,202 1.00 0.13 c ATCMO 2S80 CD GLU? 163 3,153 58,020 16,177 1.00 0.13 c ATOMO 2581 OEl GLO? 163 2.076 SB .643 16.381 1.00 0.13 or ATOMO 2582 OE2 GLU? 163,900 58,212 15,181 1.00 0.13 01 ATOM 2583 8 GLU? 163 3,159 56,782 19,804 1.00 0.00 H ATOM 2584 B? GLU? 163 1,565 54,603 18,736 1.00 0.00 H ATOMO 2585 1HB GLU? 163 1,438 56,596 17,501 1.00 0.00 H ATOM 2586 2HB GLU? 163 2,265 55,357 16,540 1.00 0.00 H ATOM 2587 1HG GLU? 163 4,481 56,445 16,900 1.00 0.00 H ATOMO 2588 2BG GLO? 163 3,766 57,518 18,137 1.00 0.00 H ATOMO 2589 H PRO? 164 3.611 53.185 17.956 1.00 0.13 N ATOM 2590 C? PRO? 164 4,751 52,324 17,819 1.00 0.13 c ATOMO 2591 c PRO? 164 5,680 52,796 16,752 1.00 0.13 c ATOMO 2592 or PRO? 164 5.235 53.459 15.818 1.00 0.13 or ÁTOMO 2593 CB PRO? 164 4.189 50.930 17.56S 1.00 0.13 c ATOM 2594 CG PRO? 164 2,815 50,957 18 .251 1.00 0.13 c ATCMO 2595 CD PRO A 164 2,385 52,429 18,167 1.00 0.13 c ATOM 2596 B? PRO A 164 5,289 52,312 18,774 1.00 0.00 H ? TOMO 2597 1HB PRO A 164 4,769 50,185 18 .092 1.00 0.00 H ÁTOMO 2598 2HB PRO A 164 4.113 50.690 16.495 1.00 0.00 H ATCMO 2599 1HG PRO A 164 2.920 50.648 19.303 1.00 0.00 H ATCMO 2600 2HG PRO? 164 2.075 50.275 17.803 1.00 0.00 B ÁTOMO 2601 1BD PRO A 164 1,700 52,602 17,332 1.00 0.00 H ATOMO 2602 2HD PRO A 164 1.875 52.702 19.099 1.00 0.00 H ATOMO 2603 H LEU A 165 6,982 52,483 16,888 1.00 0.11 N ATOMO 2604 C? LEU A 165 7,932 52,840 15,879 1.00 0.11 c ATCMO 2605 C LEU A 165 8.67B 51.587 15.565 1.00 0.11 c ATOM 2606 OR LEU A 165 8,896 50,754 16,444 1.00 O.ll or ATOMO 2607 CB LEU A 165 8.953 53.897 16.327 1.00 0.11 c ATOM 2608 CG LEU? 165 8.309 55.248 16.688 1.00 0.11 c ÁTOMO 2609 CDl LEU A 165 9,377 56,304 17,011 1.00 0.11 c ? TOMO 2610 CD2 LEU A 165 7,321 55,708 15,605 1.00 0.11 c ÁTOMO 2611 H LEU A 165 7.333 52.020 17.718 1.00 0.00 B ATOM 2612 B? LEU A 165 7.399 53.174 14.975 1.00 0.00 B ATCMO 2613 1HB LEU A 165 9.663 54.039 15.492 1.00 0.00 H ÁTOMO 2614 2HB LEU A 165 9.540 53.512 17.180 1.00 0.00 H ATOMO 2615 HG LEU .A 165 7.725 55.110 17.619 1.00 0.00 H ATOMO 2616 1BD1 LEU A 165 8,889 57,250 17,269 1.00 0.00 H ÁTOMO 2617 2BD1 LEU A 165 10,014 55,959 17,841 1.00 0.00 H ÁTOMO 2618 3HD1 LEU A 165 10,045 56,456 16,150 1.00 0.00 B ATOMO 2619 1HD2 LEU A 165 7.258 56.806 15. 620 1.00 0.00 B TCMO 2620 2BD2 LEO A 165. 7.617 55.405 14.591 1.00 0.00 B ? TOMO 2621 3HD2 LEU A 165 6.293 55.405 15.796 1.00 0.00 H ATCMO 2622 N ASN A 166 9,077 51,402 14,294 1.00 0.10 N ATCMO 2623 CA ASN? 166 9.772 50.192 13.976 1.00 0.10 c ATCMO 2624 C ASN A 166 11,234 50,478 14,008 1.00 0.10 c ATOM 2625 OR ASN? 166 11.729 51.346 13.291 1.00 0.10 or ÁTOMO 2626 CB ASN A 166 9,460 49,623 12,581 1.00 0.10 c ATOMO 2627 CG ASN A 166 8.056 49.035 12.593 1.00 0.10 c ATOM 2628 OD1 ASH A 166 7.304 49.185 13.555 1.00 0.10 0 ATOM 2629 HD2? SN? 166 7.695 48.328 11.490 1.00 0.10 H ATOMO 2630 H? SN? 166 8,934 52,059 13,548 1.00 0.00 a ATOMO 2631 B? SN? 166 9.513 49.396 14.694 1.00 0.00 a ATOMO 2632 1HB ASN? 166 10,186 48,815 12,378 1.00 0.00 a ATOM 2633 2BB? SN? 166 9.555 50.379 11.786 1.00 0.00 H ATOM 2634 1BD2? SN? 166 8.315 48,199 10.712 1.00 0.00 H ÁTOMO 2635 2HD2 ASN A 166 6,774 47,924 11,489 1.00 0.00 a ATCMO 2636 H XLE A 167 11,959 49,747 14,873 1.00 0.22 N ATCMO 2637 CA ILB A 167 13.378 49.904 14.942 1.00 0.22 μ ATOM 2638 C XLE? 167 13,954 48,591 14,545 1.00 0.22 fc ATOM .2639 OR ILB? 167 13,535 47,544 15,035 1.00 0.22 0 ATOM 2640 CB ILE? 167 13,880 50,216 16,322 1.00 0.22 μ ATOM 2641 CGl XLE? 167 13,316 51,562 16.805 1.00 0.22 μ TOMO 2642 CG2 XLE? 167 15,418 50,161 16,294 1.00 0.22 3,532 51,815 18,297 μ TOMO 2643 CDl ILE? 167 1 1.00 0.22 μ TCMO 2644 H XLE? 167 11,571 48,981 15,415 1.00 0.00 B TCMO 2645 B? XLE? 167 13,699 50,705 14,261 1.00 0.00 a ATOM 2646 BB XLE? 167 13,530 49,426 17,014 1.00 0.00 H ATCMO 2647 1HG1 ILB A 167 12,227 51,610 16,623 1.00 0.00 H TCMO 2648 2BG1 XLE A 167 13,758 52,388 16,219 1.00 0.00 H ? TOMO 2649 1BG2 XLE A 167 15.829 50.322 17.306 1.00 0.00 R? TOMO 2650 2HG2 ILE A 167 15.817 49.186 15.976 1.00 0.00 H ATOMO 2651 3BG2 XLE A 167 15,852 50,951 15,670 1.00 0.00 H ? TOMO 2652 1HD1 XLB A 167 13,012 52,730 18,621 1.00 0.00 H ÁTOMO 2653 2BD1 XLE A 167 13,158 50,981 18,909 1.00 0.00 ATCMO 2654 3HD1 ILE? 167 14.602 51.943 18.511 1.00 0.00 H TCMO 2655 N THR? 168 14.926 48.604 13.618 1.00 0.48 N TCMO 2656 C? THR? 168 15,488 47,353 13,212 1.00 0.48 fc TCMO 2657 C THR? 168 16,955 47,396 13,410 1.00 0.48 ATOM 2658 OR THR? 168 17,587 48,447 13,312 1.00 0.48 o; ATOMO 2659 CB THR A 168 15,289 47,020 11,764 1.00 0.48 c ATOMO 2660 OG1 THR? 168 15,798 48,064 10,948 1.00 0.48 0 ATOM 2661 CG2 THR? 168 13,800 46,788 11,494 1.00 0.48 fc ATOMO 2662 H THR A 168 15,334 49,451 13,242 1.00 0.00 H ATOMO 2663 H? THR? 168 15.OBß 46,551 13,823 1.00 0.00 fl ATOM 2664 HB THR? 168 15,828 46,078 11,542 1.00 0.00 H ATOM 2665 HG1 THR? 168 16,752 48,111 11,107 1.00 0.00 a ATCMO 2666 1HG2 THR? 168 13,629 46,488 10,447 1.00 0.00 a ÁTOMO 2667 2HG2 THR A 168 13,392 45,995 12,141 1.00 0.00 k ? TOMO 2668 3HG2 THR A 168 13.218 47.707 11.670 1.00 0.00 H ATOM 2669 H VAL? 169 17,538 46,228 13,724 1.00 o.ss H ATOM 2670 C? VAL A 169 18.958 46.199 13.795 1.00 0.55 fc ÁTOMO 2671 C VAL A 169 19,375 45,828 12,415 1.00 0.55 μ ÁTOMO 2672 OR VAL A 169 18.935 44.820 11.863 1.00 0.55 or ÁTOMO 2673 CB VAL A .169 19.532 45.207 14.771 1.0Q .0.55 c ATOM 2674 CGl VAL? 169 19,096 45,621 16,183 1.00 0.55 je ÁTOMO 2675 CG2 VAL A 169 19.102 43.782 14.391 1.00 0.55 c ATOM 2676 H VAL? 169 17,097 45,329 13,643 1.00 0.00 K ATOM 2677 H? VAL? 169 19,344 47,190 14,069 1.00 0.00 H ÁTOMO 2678 HB VAL A 169 20,631 45,296 14,679 1.00 0.00 H ÁTOMO 2679 1HG1 VAL A 169 19,882 45,432 16,925 1.00 0.00 H ATCMO 2680 2HG1 VAL A 169 18,919 46,708 16,250 1.00 0.00 H ATOM 2681 3HG1 VAL? 169 18,150 45,151 16,482 1.00 0.00 H ATOMO 2682 1HG2 VAL A 169 19,961 43,256 14,838 1.00 0.00 B ATOM 2683 2BS2 VAL? 169 18.107 43.608 14.822 1.00 0.00 B ATOMO 2684 3HG2 VAL A 169 19,091 43,378 13,385 1.00 0.00 8 ÁTOMO 2685 H XLE A 170 20,221 46,672 11,807 1.00 0.56 N ATOM 2686 C? XLB A 170 20,637 46,451 10,457 1.00 0.56 c ATOMO 2687 C ILE A 170 21,357 45,145 10,428 1.00 0.56 fc ÁTOMO 2688 OR XLB A 170 21,198 44,364 9,490 1.00 0.56 p ATOM 2689 CB XLB? 170 21,546 47,545 9,942 1.00 0.56 c ATOMO 2690 CGl XLE? 170 21,728 47,467 8,414 1.00 0.56 c ATOM 2691 CG2 ILB? 170 .22.867 47.492 10.727 1.00 0.56 c ATOM 2692 CDl XLE? 170 22,467 46,223 7,921 1.00 0.56 c ATOM 2693 B XLE? 170 20,615 47,485 12,272 1.00 0.00 8 ATOM 2694 B? XLE? 170 19.739 46.349 9.824 1.00 0.00 H ATOM 2695 HB ILE? 170 21,142 48,513 10,164 1.00 0.00 H ? TOMO 2696 18G1 XLE? 170 22,296 48,360 8,094 1.00 0.00 H? VOLUME 2697 2BG1 ILB A 170 20,748 47,543 7,909 1.00 0.00 B ATOM 2698 1BG2 XLE A 170 23,219 48,524 10,855 1.00 0.00 8 ATOM 2699 28G2 XLE? 170 22,796 47,047 11,714 1.00 0.00 a ATOMO 2700 3HG2 XLB? 170 23,675 46,954 10,210 1.00 0.00 H ATCMO 2701 1HD1 ILE? 170 23,115 46,497 7,070 1.00 0.00 H? TOMO 2702 2HD1 XLE? 170 23,131 45,742 8,651 1.00 0.00 H? VOLUME 2703 3BD1 XLE? 170 21,776 45,472 7,510 1.00 0.00 H ATOM 2704 N LYS? 171 22,156 44,867 11,475 1.00 0.52 N ATOM 2705 C? LYS? 171 22,902 43,646 11,537 1.00 0.52 c ATCMO 2706 c LYS? 171 21.908 42.536 11.406 1.00 0.52 c ATOM 2707 OR LYS? 171 20,957 42,448 12,180 1.00 0.52 O ATONO 2708 CB LYS? 171 23,649 43,510 12,879 1.00 0.52 c ATOM 2709 CG LYS? 171 24,731 42,430 12,935 1.00 0.52 c ATOM .2710 CD LYS? 171 24,206 41,006 12.790 1.00 0.52 c TOMO 2711 CE LYS? 171 25,263 39,934 13,064 1.00 0.52 c ATOM 2712 NZ LYS? 171 26,436 40,153 12,190 1.00 0.52 N1 + ATCMO 2713 H LYS? 171 22,064 45,419 12,309 1.00 0.00 H ATOMO 2714 H? LYS? 171 23,632 43,648 10,707 1.00 0.00 H ATOM 2715 1HB LYS? 171 22,872 43,341 13,643 1.00 0.00 H ATOM 2716 2HB LYS? 171 24.129 44.479 13.070 1.00 0.00 H ATCMO 2717 1HG LYS? 171 25,345 42,498 13,836 1.00 0.00 H ATOM 2718 2HG LYS? 171 25,440 42,623 12,108 1.00 0.00 H TOMO 2719 1HD LYS? 171 23,964 40,933 11,730 1.00 0.00 H ATCMO 2720 2BD LYS? 171 23.302 40.816 13.390 1.00 0.00 H ATOM 2721 1BE LYS? 171 24,877 38,923 12,853 1.00 0.00 H TOMO 2722 2HE LYS? 171 25,630 39,937 14.101 1.00 0.00 H TCMO 2723 1BZ LYS? 171 27,152 39,454 12,333 1.00 0.00 H ATOM 2724 2BZ LYS? 171 26,174 40,112 11,214 1.00 0.00 H ATOMO 2725 3BZ LYS? 171 26,861 41,053 12,366 1.00 0.00 ATCMO 2726 N ALA A 172 22,097 41,667 10,393 1.00 0.31 ? TOMO 2727 C? ALA A 172 21,148 40,617 10,164 1.00 0.31 μ E ATOMO 2728 C ALA A 172 21,773 39,272 10,514 1.00 0.31 c ÁTOMO 2729 0 ALA A 172 21,353 38,260 9,895 1.00 0.31 or ATCMO 2730 CB ALA A 172 20,692 40,524 8,698 1.00 0.31 c ATCMO 2731 OXT ALA A 172 22,663 39,229 11,402 1.00 0.31 01- ATCMO 2732 to ALA A 172 22.C07 41,776 9,698 1.00 0.00 ATOMO 2733 HA ALA A 172 20.252 40.765 10.785 1.00 0.00 H ATOM 2734 1BB ALA? 172 19,857 39,810 8,602 1.00 0.00 H ÁTOMO 2735 2HB ALA A 172 20,320 41,491 8,321 1.00 0.00 H ATOMO 2736 3HB WING A 172 21,505 40,199 8.030 1.00 0.00 8 ÁTOMO 2737 N VAL B 1 -35,035 33,443 -3,312 1.00 0.14 N1 + ATOM 2738 C? VAL B 1 -36,312 33,784 -2,644 1.00 0.14 C ATOMO 2739 c VAL B 1 -36,557 33,129 -1,314 1.00 0.14 c ATOMO 2740 or VAL B 1 -37.357 33.653 -0.542 1.00 0.14 0 ÁTOMO 2741 CB VAL B 1 -37,484 33,539 -3,566 1.00 0.14 c ATOMO 2742 CGl VAL B 1 -37.364 34.515 -4.747 1.00 0.14 c ÁTOMO 2743 CG2 VAL B 1 -37,528 32,067 -4.005 1.00 0.14 c ATOMO 2744 ÍH VAL B 1 -34,869 34,004 -4,138 1.00 0.00 H ATOMO 2745 2B VAL B 1 -34.241 33.598 -2.703 1.00 0.00 B ' ATOMO 2746 3B VAL B 1 -34.995 32.476 -3.602 1.00 0.00 fl ATOM 2747 H? VAL B 1 -36,235 34,860 -2,400 1.00 0.00 H ATOMO 2748 HB VAL B 1 -38.411 33.777 -3.011 1.00 0.00 H ÁTOMO 2749 1BG1 VAL B 1 -38,229 34,435 -5,429 1.00 0.00 H ÁTOMO 2750 2BG1 VAL B 1 -37.326 35.564 -4.406 1.00 0.00 H ÁTOMO 2751 3BG1 VAL B 1 -36,463 34,319 -5,351 1.00 0.00 H ATCMO 2752 1HG2 VAL B 1 -38,228 31,983 -4,860 1.00 0.00 H ATCMO 2753 2HG2 VAL B 1 -36,576 31,696 -4,412 1.00 0.00 H ? TOMO 2754 3BG2 VAL B 1 -38.001 31.421 -3.249 1.00 0.00 H ? TCMO 2755 H PRO B 2 -35.933 32.030 -0.959 1.00 0.15 N ? TOMO 2756 C? PRO B 2 -36,195 31,541 0.363 1.00 0.15 C ATCMO 2757 C PRO B 2 -35.493 32.410 1.350 1.00 0.15 C ATCMO 2758 OR PRO'B 2 -34.546 33.097 0.973 1.00 0.15 or ÁTOMO 2759 CB PRO B 2 -35,731 30,088 0.391 1.00 0.15 C ATCMO 2760 CG PRO B 2 -35,897 29,635 -1,067 1.00 0.15 c ATCMO 2761 CD PRO B 2 -35.709 30.924 -1.884 1.00 0.15 c ATCMO 2762 B? PRO B 2.-37,285 31,530 0.558 1.00 0.00 a ATOMO 2763 1HB PRO B 2 -36,304 29,496 1,118 1.00 0.00 H TOMO 2764 2HB PRO B 2 -34,669 30,026 0.677 1.00 0.00 H ATOMO 2765 1BG PRO B 2 -36.917 29.240 -1.212 1.00 0.00 B ÁTOMO 2766 2BG PRO B 2 -35.203 28.833 -1-366 1.00 0.00 H ATOMO 2767 1BD PRO B 2 -34,667 30,980 -2,239 1.00 0.00 H ÁTOMO 2768 2BD PRO B 2 -36,339 30,824 -2,732 1.00 0.00 H ATOMO 2769 N GLN B 3 -35,941 32,393 2,617 1.00 0.19 N ATOM 2770 C? GLN B 3 -35,329 33,215 3,614 1.00 0.19 c ÁTOMO 2771 C GLN B 3 -33,901 32,793 3,703 1.00 0.19 c ATCMO 2772 OR GLN B 3 -33,553 31,670 3,339 1.00 0.19 TCMO 2773 CB GLN B 3 -35,986 33,063 4,996 1.00 0.19 ° c ÁTOMO 2774 CG GLN B 3 -35,493 34,064 6,040 1.00 0.19 c ATOMO 2775 CD GLN B 3 -36,327 33,844 7.293 1.00 0.19 c ? TOMO 2776 OBI GLN B 3 -36,930 32,787 7,467 1.00 0.19 0 TCMO 2777 NB2 GLN at 3 -36,374 34,869 8,185 1.00 0.19 N TCMO 2778 fl GLN B 3 -36,686 31,783 2,909 1.00 0.00 H.

TCMO 2779 B? GLN B 3 -35,401 34,270 3,289 1.00 0.00 B ? TOMO 2780 1HB GLN B 3 -35,828 32,030 5,351 1.00 0.00 H ATOMO .2781 2BB GLN B 3 -37,076 33,203 4,874 1.00 0.00 BOMP 2782 1HG GLN B 3 -35,596 35,097 5,669 1.00 0.00 fl ATCMO 2783 2BG GLN B 3 -34,444 33,879 6,303 1.00 0.00 H ATCMO 2784 1HE2 GLN B 3 -36,282 35,816 7,857 1.00 0.00 a ATCMO 2785 2HE2 GLN B 3 -37,049 34,698 8,921 1.00 0.00 a ÁTOMO 2786 N LYS B 4 -33,024 33.701 4.172 1.00 0.23 N ATOM 2787 C? LYS B 4 -31,626 33,390 4,219 1.00 0.23 C ÁTOMO 2788 c LYS B 4 -31.282 32.929 5.594 1.00 0.23 c ATCMO 2789 or LYS B 4 -31,667 33,518 6,603 1.00 0.23 d ÁTOMO 2790 CB LYS B 4 -30,722 34,593 3,904 1.00 0.23 c ÁTOMO 2791 CG LYS B 4 -30,861 35,101 2,467 1.00 0.23 c ATOMO 2792 CD LYS B 4 -30.229 36.477 2.241 1.00 0.23 c ÁTOMO 2793 CB LYS B 4 -31,032 37,624 2,856 1.00 0.23 c ATCMO 2794 NZ LYS B 4 -30.320 38.907 2.659 1.00 0.23 N1 + ATCMO 279S H LYS B 4 -33,282 34,648 4,377 1.00 0.00 B ATCMO 2796 B? LYS B 4 -31,442 32,662 3,416 1.00 0.00 H ÁTOMO 2797 1HB LYS B 4 -29,665 34,343 4,096 1.00 0.00 H ÁTOMO 2798 2HB LYS B 4 -30.952 35,398 4,623 1.00 0.00 B ÁTOMO 2799 1HG LYS B 4 -31.919 35.129 2.150 1.00 0.00 a ÁTOMO 2800 2BG LYS B 4 -30.360 34.380 1.801 1.00 0.00 a ÁTOMO 2801 ÍHD LYS B 4 -30,132 36,650 1,154 1.00 0.00 H ÁTOMO 2802 2BD LYS B 4 -29.200 36.464 2.64S 1.00 0.00 a ATCMO 2803 1BB LYS B 4 -31.168 37.502 3.942 1.00 0.00 H ÁTOMO 2804 2HB LYS B 4 -32.027 37.717 2.391 1.00 0.00 a ÁTOMO 2805 1HZ LYS B 4 -30,819 39,699 3,042 1.00 0.00 a ÁTOMO 2806 2H3 -LYS B 4 -29,420 38,885 3,134 1.00 0.00 a ÁTOMO 2807 3HZ LYS B 4 -30,141 39,110 1,685 1.00 0.00 B ATOM 2808 N PRO B 5 -30,550 31,853 5.616 1.00 0.25 N ATCMO 2809 C? PRO B 5 -30.108 31.251 6.840 1.00 0.25 C ATOMO 2810 c PRO B 5 -29,273 32,279 7,522 1.00 0.25 c ATOMO 2811 or PRO B 5 -28,730 33,147 6,839 1.00 0.25 0 ATOMO 2812 CB PRO B 5 -29.231 30.082 6.411 1.00 0.25 c ATOMO 2813 CG PRO B 5 -28.592 30.609 5.112 1.00 0.25 c ATOMO 2814 CD PRO B 5 -29,678 31,516 4,507 1.00 0.25 c ATOMO 2815 B? PRO B 5 -30.972 30.960 7.456 1.00 0.00 H ATCMO 2816 1HB PRO B 5 -29,730 29.123 6.357 1.00 0.00 B ATOMO 2817 2HB PRO B 5 -28,453 29,911 7,178 1.00 0.00 fl ÁTOMO 2818 1HG PRO B 5 -28.174 29.894 4.412 1.00 0.00 H ÁTOMO 2819 2HG PRO B 5 -27.910 31.344 5.421 1.00 0.00 H ATOMO 2820 1BD PRO B 5 -29,236 32,397 4,044 1.00 0.00 H ATOMO 2821 2HD PRO B 5 -30,320 31,045 3,774 1.00 0.00 B ATOMO 2822 N LYS B 6 -29,172 32,227 8,861 1.00 0.35 N ATOM 2823 C? LYS B 6 -28,336 33,181 9,520 1.00 0.35 C ATOMO 2824 C LYS B 6 -27,209 32,429 10,136 1.00 0.35 μ ATOMO 2825 OR LYS B 6 -27,391 31,333 10,666 1.00 0.35 p ATOMO 2826 CB LYS B 6 -29,033 33,969 10,641 1.00 0.35 c ÁTONO 2827 CG LYS B 6 -30,016 35,023 10,127 1.00 0.35 μ ATOMO 2828 CD LYS B 6 -31.243 34.436 9.427 1.00 0.35 c ATCMO 2829 CE LYS "B 6 -32,218 35,501 8,920 1.00 0.35 c ATOMO 2830 NZ LYS B 6 -33,370 34,856 8,253 1.00 0.35 Ml * ATOMO 2831 fl LYS B 6 -29,531 31,470 9,434 1.00 0.00 H ? TOMO 2832 H? LYS B 6 -27,947 33,923 8,805 1.00 0.00 H ÁTOMO 2833 1HB LYS B 6.-28.241 34.472 11.226 1.00 0.00 H ÁTOMO 2834 2HB LYS B 6 -29,641 33,423 11,336 1.00 0.00 H ATOMo 2835 1HG LYS B 6 -29,498 35,712 9,434 1.00 0.00 K ATOMO 2836 2HG LYS B 6 -30,343 35,645 10,981 1.00 0.00 H ÁTOMO 2837 ÍHD LYS B 6 -31,763 33,748 10,116 1.00 0.00 H ÁTOMO 2838 2BD LYS B 6 -30,880 33,844 8,600 1.00 0.00 H ÁTOMO 2839 IBS LYS B 6 -31,740 36,167 8,183 1.00 0.00 H ATCMO 2840 2BE LYS B 6 -32,610 36,120 9,743 1.00 0.00 H ÁTOMO 2841 1BZ LYS B 6 -33,989 35,514 7,805 1.00 0.00 B ÁTOMO 2642 2BZ LYS B 6 -33,032 34,222 7,532 1.00 0.00 B ATCMO 2843 3BZ LYS B 6 -33,939 34,311 8,889 1.00 0.00 fl TCMO 2844 H VAL B 7 -25,995 32,999 10,051 1.00 0.35 N ATOM 2845 C? VAL B 7 -24,871 32,349 10,651 1.00 0.35 fc ÁTOMO 2846 c VAL B 7 -24,592 33,074 11,922 1.00 0.35 fc ATOMO 2847 or VAL B 7 -24,524 34.302 11.950 1.00 0.35 p ÁTOMO 2848 CB VAL B 7 -23,627 32,383 9,806 1.00 0.35 C ÁTOMO 2849 CGl VAL B 7 -23.210 33.847 9.585 1.00 0.35 - c ? TOMO 2850 CG2 VAL B 7 -22.552 31.531 10.499 1.00 0.35 c ÁTOMO 2851 B VAL B 7 -25,821 33,888 9,614 1.00 0.00 a ATOMO 2852 B? VAL B 7 -25,120 31,291 10,831 1.00 0.00 a ATOMO 2853 HB VAL B 7 -23,863 31,925 8,827 1.00 0.00 B ÁTOMO 2854 1HG1 VAL B 7 -22,471 33,901 8,765 1.00 0.00 a ATCMO 2855 2BG1 VAL B 7 -24,031 34,516 9,285 1.00 0.00 a ÁTOMO 28S6 3HG1 VAL B 7 -22,693 34,280 10,456 1.00 0.00 a ATCMO 2857 1HG2 VAL B 7 -21,678 31,367 9,847 1.00 0.00 a ATCMO 2858 2HG2 VAL B 7 -22,176 32,022 11,412 1.00 0.00 a ÁTOMO 2859 3HG2 VAL B 7 -22,944 30,551 10,791 1.00 0.00 B ATCMO 2860 H SER B 8 -24,448 32,318 13,023 1.00 0.17 N ATCMO 2861 C? BE B 8 -24,199 32,937 14,287 1.00 0.17 fc ATOMO 2862 C SER B 8 -22,807 32,592 14,689 1.00 0.17 'μ ÁTOMO 2863 or SER B 8 -22,347 31,470 14,481 1.00 0.17 P ÁTOMO 2864 CB SER B 8 -25,131 32,446 15,407 1.00 0.17 c ÁTOMO 2865 OG SER B 8 -24.819 33.105 16.625 1.00 0.17 p ÁTOMO 2866 B SER B 8 -24,625 31,319 13,016 1.00 0.00 H ATOMO 2867 H? SER B 8 -24,337 34,028 14,216 1.00 0.00 a ATOMO 2868 1HB SER B 8 -25,073 31,358 15,536 1.00 0.00 a ÁTOMO 2869 2BB SER B 8 -26,174 32,697 15,163 1.00 0.00 H ? TOMO 2870 HG SER B 8 -24.204 32.543 17.US 1.00 0.00 fl ATOMO 2871 H LEU B 9 -22,092 33,571 15,268 1.00 0.11 N ATCMO 2872 CA LEU B 9 -20,747 33,327 15,682 1.00 0.11 t ? TCMO 2873 C LEU B 9 -20.696 33.497 17.164 1.00 0.11 'μ? VOLUME 2874 OR LEU B 9 -21.139 34.512 17.700 1.00 0.11 or ATCMO 2875 CB LEU B 9 -19,749 34,334 15,080 1.00 0.11 fc ATCMO 2876 CG LEU B 9 -18,287 34,121 15,512 1.00 0.11 c TOMO 2877 CDl LEU B 9 -17,732 32,785 14,988 1.00 0.11 fc ? TOMO 2878 CD2 LEU B 9 -17,418 35,324 15,111 1.00 0.11 c TCMO 2879 H LEU B 9 -22,472 34,471 15,510 1.00 0.00 B TCMO 2880 H? LEU B 9 -20,438 32,317 15,382 1.00 0.00 H ATCMO 2881 1BB LEU B 9 -20,066 3S.356 15,354 1.00 0.00 a TCMO 2882 2BB LEU B 9 -19,814 34,285 13,978 1.00 0.00 B ATCMO 2883 BG LEU B 9 -18,324 33,885 16,546 1.00 0.00 H ÁTOMO 2884 1HD1 LEU B 9 -16,651 32,745 15,192 1.00 0.00 H ÁTOMO 2885 2HD1 LEU B 9 -18,211 31,936 15,488 1.00 0.00 H ATOMO 2886 3BD1 LEU B 9 -17,848 32,744 13,899 1.00 0.00 H ATCMO 2887 1BD2 LEU B 9 -16.368 35,176 15,400 1.00 0.00 H ÁTOMO 2888 2BD2 LEU B 9 -17,440 3S,449 14,015 1.00 0.00 fl ÁTOMO 2889 3HD2 LEO B 9 -17,775 36,256 15,559 1.00 0.00 H ÁTOMO 2890 H? SH B 10 -20,176 32,478 17,872 1.00 0.17 N ATOMO 2891 C? ASN B 10 -20,046 32,599 19,291 1.00 0.17 ATOMO μ 2892 c ASN B 10 -18,653 32,180 19,623 1.00 0.17 fc ÁTOMO 2893 0? SH B 10 -18,240 31,069 19,295 1.00 0.17 p ÁTOMO 2894 CB? SH B 10 -20,992 31,672 20,070 1.00 0.17 c ATOMO 2895 CG? SN B 10 -22,415 32,145 19,819 1.00 0.17 ATCMO c 2896 OD1 ASH B 10 -23,167 31,505 19,086 1.00 0.17 p ATCMO 2897 HD2 ASH B 10 -22,798 33,292 20,443 1.00 0.17 N ATCMO 2898 H ASH B 10 -19,879 31,604 17,447 1.00 0.00 H ATCMO 2899 B? ASH B 10 -20.331 33.609 19.576 1.00 0.00 H ATOMO 2900 1BB ASN 'B 10 -20,745 31,729 21,143 1.00 0.00 H ATOMO 2901 2BB ASN B 10 -20.916 30.627 19.757 1.00 0.00 H ATOMO 2902 1BD2 ASH B 10 -22,191 33,807 21,049 1.00 0.00 B TOMO 2903 2BD2 ASN B 10 -23,731 33,618 20,254 1.00 0.00 H? VOLUME 2904 N PRO B 11 -17,897 33,038 20,245 1.00 0.3S N ATCMO 290S C? PRO B 11'-18,370 34,356 20,559 1.00 0.35 fc ATOMO 2906 C PRO B 11 -18,404 35,166 19,305 1.00 0.35 C ATCMO 2907 OR PRO B 11 -17.867 34.727 18.290 1.00 0.35 O ATCMO 2908 CB PRO B 11 -17,403 34.908 21.604 1.00 0.35 c ATOMO 2909 CG PRO B 11 -16.86S 33,651 22.308 1.00 0.35 fc ? TOMO 2910 CD PRO B 11 -16.938 32.559 21.228 1.00 0.35 fc ATOMO 2911 B? PRO B 11 -19,324 34,263 21,103 1.00 0.00 H ATOMO 2912? M PRO B: Ll -17.861 35.651 22.273 1.00 0.00 H ATCMO 2913 2HB PRO B: Ll -16.571 35.402 21.082 1.00 0.00 B ATOMO 2914 1HG PRO B: Ll -17,522 33,393 23,155 1.00 0.00 H ATCMO 2915 2HG PRO B: 11 -15,851 33,769 22,721 1.00 0.00 H ATCMO 2916 ÍHD PRO B: 11 -15,961 32,431 20,733 1.00 0.00 B ÁTOMO 2917 2BD PRO B 'Ll -17.234 31.578 21.626 1.00 0.00 a ATCMO 2918 N PRO B: L2 -19,030 36,309 19,364 1.00 0.52 N ATCMO 2919 C? PRO B '12 -19,156 37,156 18,209 1.00 0.52 C ÁTOMO 2920 c PRO B '12 -17,853 37,765 17,809 1.00 0.52 c ATOMO 2921 or PRO B 'L2 -17,789 38,365 16,773 1.00 0.52 p ÁTOMO 2922 CB PRO B 'L2 -20.215 38,194 18,568 1.00 0.52 c ATCMO. 2923 CG PRO B "L2 -21,088 37,480 19,613 1.00 0.52 c ATOMO 2924 CD PRO B: 12 -20.128 36.495 20.299 1.00 0.52 c ATCMO 2925 HA PRO B - L2 -19,493 36,561 17,344 1.00 0.00 a ATOM 2926 1HB PRO B. L2 -20,767 38,562 17,689 1.00 0.00 H ATOMO 2927 2HB PRO B: L2 -19,734 39,074 19,029 1.00 0.00 k ÁTOMO 2928 1HG PRO B: L2 -21.889 36.926 19.096 1.00 0.00 H ATOMO 2929 2HG PRO B: L2 -21.583 38.161 20.323 1.00 0.00 a ATCMO 2930 HD PRO B: 12 -19.742 36,914 21,242 1.00 0.00 H ATCMO 2931 2BD PRO B "L2 -20.663 35.567 20.521 1.00 0.00 H ÁTOMO 2932 N TRF B 'L3 -16,809 37,635 18,646 1.00 0.35 N ATOM 2933 C? TRF B: L3 -15.559 38.278 18.359 1.00 0.35 μ ATOM 2934 c TRP B: 13 -15,107 37,850 16,998 1.00 0.35 < ¿T ATOM 2935 0 TRF B: L3 -14,934 36,662 16,731 1.00 0.35 d ATOM 2936 CB TRP B: L3 -14,454 37,907 19,361 1.00 0.35? ATOM 2937 CG TRP B: L3 -14,839 38,183 20,795 1.00 0.35 c ATOMO 2938 CDL TRP B: L3 -14.961 37.307 21.833 1.00 0.35 c ATCMO 2939 CD2 TRP B j L3 -15,219 39,470 21,302 1.00 0.35 ATCMO 2940 NEI TRP B: 13 -15,382 37,969 22,961 1.00 0.35 N ci ATCMO 2941 CE2 TRP B: L3 -15.549 39.302 22.647 1.00 0.35 μ ATCMO 2942 CE3 TRP B: 13 -15,297 40,691 20,695 1.00 0.35 t ATCMO 2943 CZ2 TRP B: L3 -15.962 40.356 23.408 1.00 0.35 < -j ATOM 2944 CZ3 TRP B. L3 -15,707 41,756 21,468 1.00 0.35 μ ATOM 2945 CH2 TRP B j L3 -16,031 41,590 22.798 1.00 0.35 c ATCMO 2946 H TRP B: L3 -16,882 37,089 19,485 1.00 0.00 HJ ATCMO 2947 H? TRP B: L3 -15,723 39,368 18,375 1.00 0.00 B ÁTOMO 2948 1HB TRP B: L3 -13.543 38.459 19.077 1.00 0.00 H ATOMO 2949 2BB TRP B. L3 -14,206 36,841 19,251 1.00 0.00 ATOMO H! 2950 HDL TRP B. L3 -14,738 36,249 21,844 1.00 0.00 8 ATOMO 2951 HB1 TRP B: L3 -15.808 37.524 23.741 1.00 0.00 H ATOM 2952 HE3 TRP B: L3 -15,044 40,835 19,655 1.00 0.00 H ? TOMO 2953 HZ2 TRP B. L3 -16,229 40,119 24,420 1.00 0.00 8 TCMO 2954 BZ3 TRP B. L3 -15,795 42,752 21,062 1.00 0.00 8 ÁTOMO 2955 HH2 TRP B: 13 -16,099 42,501 23,378 1.00 0.00 H ÁTOMO 29S6 N? SH B 3 -14.933 38.829 16.085 1.00 0.15 N ATCMO 2957 C? ? SH B: -14,506 38,539 14,747 1.00 0.15 ÁTOMO 2958 c? SH B 1 -13,076 38,108 14,777 1.00 0.15 C | ATOMO 2959 or? SN B '-12.681 37.185 14.064 1.00 0.15 p ATCMO 2960 CB? SN B. -14,605 39,739 13,785 1.00 0.15 C ÁTOMO 2961 CG? SH B: -13.588 40.802 14.181 1.00 0.15 d ÁTOMO 2962 OD1? SH B 1 -13,408 41,115 15,357 1.00 0.15 0 ATCMO 2963 ND2? SH B. -12,882 41,367 13,165 1.00 0.15 N ÁTOMO 2964 H? SN B: -15,118 39,805 16,295 1.00 0.00 H ATCMO 2965 HA? SN B. -15,111 37,712 14,342 1.00 0.00 Hi TCMO 2966 1HB? SN B -15.612 40.188 13.806 1.00 0.00 H ATCMO 2967 2BB? SH B: -14.421 39.365 12.763 1.00 0.00 Bi ATCMO 2968 1HD2? SN B: -12,987 41,087 12,202 1.00 0.00 Hl TCMO 2969 2BD2 ASN B -12,217 42,087 13,380 1.00 0.00 H ATCMO 2970 H? RG B. .5 -12.257 38.773 15.615 1.00 0.13 N ATOMO 2971 CA ARG 'B: L5 -10.859 38.466 15.66B 1.00 0.13 ATOM 2972 C ARG B. L5 -10.645 37.619 16.872 1.00 0.13 Ci ATOM 2973 OR ARG B. L5 -11,086 37,958 17,969 1.00 0.13 C Oi ATCMO 2974 CB ARG B. LS -9.961 39.702 15.860 1.00 0.13 C | ATCMO 2975 CG ARG B. L5 -9,990 40,695 14,698 1.00 0.13 c ATCMO 2976 CD? RG B. LS -9.087 41.910 14.925 1.00 0.13 C? TOMO 2977 NE? RG B. L5 -9.233 42.80S 13.742 1.00 0.13 N1 + ATOM 2978 Z ARG B. 15 -8,137 43,184 13,023 1.00 0.13 ci ATCMO 2979 NH1 ARG B] L5 -6,892 42,769 13,396 1.00 0.13 H ATOMO 2980 NH2 ARG B. LS -8.289 43.984 11.926 1.00 0.13 N ATOMO 2981 H ARG B. L5 -12.591 39.606 16.079 1.00 0.00 H ATCMO 2982 H? ARG B 1 15 -10,563 37,963 14,736 1.00 0.00 H ÁTOMO 2983 1KB ARG B 15 -8,996 39,350 16,214 1.00 0.00 a ATOMO 2984 2BB ARG B 15 -10,354 40,254 16,738 1.00 0.00 B ATOMO 2985 1HG ARG B 15 -11,007 41,090 14,649 1.00 0.00 B ATOMO 2986 2HG ARG B 15 -9,785 40,221 13,726 1.00 0.00 H ÁTOMO 2987 ÍHD ARG B 15 -8,048 41,638 15,153 1.00 0.00 H ATOMO 29SB 2HD ARG B 15 -9.458 42.433 15.807 1.00 0.00 k ÁTOMO 2989 HE ARG B 15 -9.921 43.526 13.751 1.00 0.00 H ATOMO 2990 1HB1? RG B 15 -6.719 42.203 14.196 1.00 0.00 B ÁTOMO 2991 2HH1 ARG B 15 -6,069 43,121 12,958 1.00 0.00 a ÁTOMO 2992 1BH2 ARG B 15 -7,535 44,013 11,277 1.00 0.00 a ATOMO 2993 2HH2? RG B 15 -9.189 43.955 11.491 1.00 0.00 a? VOLUME .2994 H XLB B 16 -9.959 36.476 16.699 1.00 0.12 N? TCMO 2995 C? ILE B 16 -9.719 35.64S 17.838 1.00 0.12 fc ÁTOMO 2996 C XLE B 16 -8,300 35,198 17,781 1.00 0.12 c ATCMO 2997 or XLE B 16 -7.583 35.472 16.820 1.00 0.12 or ATCMO 2998 CB XLE B 16 -10.558 34.399 17.883 1.00 0.12 c? TCMO 2999 CGl XLB B 16 -10.236 33.483 16.690 1.00 0.12 c? VOLUME 3000 CG2 XLE B 16 -12.035 34.818 17.972 1.00 0.12 c ? TOMO 3001 CDl ILE B 16 -10.816 32.077 16.840 1.00 0.12 c ÁTOMO 3002 H ILE B 16 -9.5B9 36,173 15,804 1.00 0.00 H ATOM 3003 H? XLE B 16 -9.806 36.229 18.761 1.00 0.00 k ÁTOMO 3004 HB ILE B 16 -10,323 33,855 18,816 1.00 0.00 k ATCMO 3005 1HG1 XLE B 16 -9,151 33,372 16,527 1.00 0.00 k ATCMO 3006 2HG1 ILE B 16 -10,632 33,939 15,766 1.00 0.00 B ATCMO 3007 1HG2 ILE B 16 -12,707 33,959 18,128 1.00 0.00 H ATOMO 3008 2BG2 ILE B 16 -12,205 35,507 18,814 1.00 0.00 k ATOMO 3009 3BG2 ILE B 16 -12.376 35.323 17.052 1.00 0.00 k ÁTOMO 3010 1BD1 ILB B 16 -10,934 31,593 15,860 1.00 0.00 B ATOMO 3011 2HD1 ILE B 16 -10,156 31,437 17,441 1.00 0.00 H ATOM 3012 3BD1 XLB B 16 -11,792 32.108 17.336 1.00 0.00 H ? TOMO 3013 H PHB B 17 -7,862 34,506 18,848 1.00 0.17 N? TOMO 3014 C? PHE B 17 -6,527 33,996 18,904 1.00 0.17 c? VOLUME 3015 c PHE B 17 -6,595 32,557 18,543 1.00 0.17 c ATOM 3016 or PHE B 17 -7,645 31,923 18,627 1.00 0.17 or ATOMO 3017 CB PHE B 17 -5,886 33,999 20,300 1.00 0.17 c TCMO 3018 CG PBE B 17 -5,562 35,386 20,720 1.00 0.17 c ATCMO 3019 CDl PHE B 17 -4,468 36,028 20,192 1.00 0.17 fc ATOMO 3020 CD2 PHE B 17 -6.337 36.026 21.6S7 1.00 0.17 c ATOM 3021 CEI PHE B 17 -4,154 37,305 20,585 1.00 0.17 c ATOMO 3022 CE2 PHE B 17 -6.027 37.303 22.057 1.00 0.17 c ATOMO 3023 CZ PHE B 17 -4.935 37.939 21.518 1.00 0.17 c ÁTOMO 3024 H PBE B 17 -8,467 34,178 19,583 1.00 0.00 k ATOM 3025 B? PBE B 17 -5.913 34.5B9 18.229 1.00 0.00 k ATOMO 3026 1HB PBE B 17 -4,946 33,448 20,184 1.00 0.00 k ÁTOMO 3027 2BB PHE B 17 -6,495 33,466 21,041 1.00 0.00 k ATOMO 3028 HDl PHE B 17 -3.883 35.515 19.440 1.00 0.00 H ATCMO 3029 HD2 PHB B 17 -7,205 35,518 22,059 1.00 0.00 H ÁTOMO 3030 BEI PHB B 17 -3.236 37.726 20.300 1.00 0.00 fl? TCMO 3031 BE2 PHE B 17 -6.677 37.770 22.777 1.00 0.00 H ÁTOMO 3032 az PBE B 17 -4,353 38,631 22,047 1.00 0.00 H ATOM 3033 H LYS B 18 -5,446 32,008 18,119 1.00 0.22 N ATOM 3034 C? LYS B 18 -5.403 30.623 17.781 1.00 0.22 c ATOMO 3035 C LYS B 18 -5,558 29,867 19,056 1.00 0.22 C ATOMO- 3036 or LYS B 18 -5,134 30,320 20,119 1.00 0.22 0 ATOMO 3037 CB LYS B 18 -4,077 30,203 17,126 1.00 0.22 fc ATOMO 3038 CG LYS B 18 -2.859 30.461 18.012 1.00 0.22 c? TCMO 3039 CD LYS B 18 -1.586 29.780 17.511 1.00 0.22 c ATOM 3040 CE LYS B 18 -0.375 29,996 18,418 1.00 0.22 c ATOMO 3041 HZ LYS B 18 0.743 29.138 17.967 1.00 0.22 N1 + ATOMO 3042 H LYS'B 18 -4,641 32,589 17,925 1.00 0.00 k ATOM 3043 H? LYS B 18 -6,267 30,489 17,128 1.00 0.00 k ATCMO 3044 1HB LYS B 18 -3.964 30.718 16.156 1.00 0.00 H? TCMO 3045 2BB LYS B 18 -4.150 29.124 16.902 1.00 0.00 H? TCMO 3046 1HG LYS B 18 -3.038 30.058 19.019 1.00 0.00 k ATCMO 3047 2HG LYS B 18 * -2,689 31,546 18,128 1.00 0.00 k ATCMO 3048 ÍHD LYS B 18 -1,354 30,137 16,492 1.00 0.00 H ATOMO 3049 2HD LYS B 18 -1.792 28.698 17.428 1.00 0.00 k ÁTOMO 3050 1BB LYS B 18 -0.596 29.719 19.461 1.00 0.00 H ÁTOMO 3051 2BE LYS B 18 -0,024 31,038 18,411 1.00 0.00 H ATCMO 3052 1BZ LYS B 18 1.576 29.272 18.528 1.00 0.00 k ? TCMO 3053 2BZ LYS B IB 0.522 28.153 18.013 1.00 0.00 H ATOM 30543HS LYS B 18 1,016 29,349 17,015 1.00 0.00 H ATCMO 3055 H GLY B 19 -6.207 28.692 18.97B 1.00 0.21 N ? TCMO 3056 CA GLY B 19 -6.383 27.886 20.146 1.00 0.21 c ATCMO 3057 C GLY B 19 -7,708 28,214 20,746 1.00 0.21 c ATOMO 3058 OR GLY B 19 -8.192 27.501 21.623 1.00 0.21 or ? TOMO 3059 H GLY B 19 -6,495 28,327 18,071 1.00 0.00 a ATOMO 3060 lfl? GLY B 19 -5,676 28,245 20,917 1.00 0.00 a ATCMO 3061 2HA GLY B 19 -6,080 26,838 20,096 1.00 0.00 a ATOMO 3062 H GLU B 20 -8,338 29,306 20,281 1.00 0.23 N ATOM 3063 C? GLO B 20 -9,610 29,665 20,830 1.00 0.23 c ATOMO 3064 C GLO B 20 -10,642 28,792 20,202 1.00 0.23 c ATOM 3065 OR GLO B 20 -10,428 28,231 19,128 1.00 0.23 or ÁTOMO 3066 CB GLO B 20 -10.002 31,130 20,574 1.00 0.23 c ATOMO 3067 CG GLU B 20 -9.106 32,113 21,327 1.00 0.23 c ÁTOMO 3068 CD GLU B 20 -9,228 31,774 22,806 1.00 0.23 c ATOMO 3069 OEl GLO B 20 -10,378 31,534 23,263 1.00 0.23 or ÁTOMO 3070 OB2 GLO B 20 -8,174 31,735 23,495 1.00 0.23 Ol ATOMO 3071 H GLU B 20 -7,903 29,958 19,641 1.00 0.00 H ÁTOMO 3072 HA GLO B 20 -9,596 29,463 21,915 1.00 0.00 a? TCMO 3073 1HB GLU B 20 -11,054 31,273 20,883 1.00 0.00 a? VOLUME 3074 2HB GLO B 20 -9,998 31,319 19,493 1.00 0.00 R ATCMO 3075 1HG GLO B 20 -9.443 33.148 21.165 1.00 0.00 B ATCMO 3076 2HG GLU B 20 -8,053 32,040 21,031 1.00 0.00 8 ÁTOMO 3077 H? SN B 21 -11,794 28,642 20,879 1.00 0.16 N ATOM 3078 C? ? SN B 21 -12,833 27,815 20,346 1.00 0.16 C ATOMO 3079 c? SN B 21 -13,814 28,715 19,677 1.00 0.16 c ATCMO 3080 0? SH B 21 -14,134 29,792 20,179 1.00 0.16 O ATOMO 3081 CB? SH B 21 -13.589 27.007 21.415 1.00 0.16 c ATCMO 3082 CG? SN B 21 -12,613 25,981 21,970 1.00 0.16 c ATCMO 3083 OD1? SN B 21 -11,595 25,692 21,347 1.00 0.16 0 ATOM 3084 HD2? SH B 21 -12,923 25,418 23,168 1.00 0.16 N ÁTOMO 3085 H? SN B 21 -12,005 29,178 21,704 1.00 0.00 H ATOM 3086 H? ? SN B 21 -12,376 27,142 19,624 1.00 0.00 H ÁTOMO 3087 1HB ASN B 21 -14,424 26,471 20,932 1.00 0.00 H ATCMO 3088 2BB? SN B 21 -13,999 27,666 22,196 1.00 0.00 H ÁTOMO 3089 1HD2 ASH B 21 -13,739 25,683 23,687 1.00 0.00 H ÁTOMO 3090 2HD2 ASN B 21 -12,261 24,760 23.S40 1.00 0.00 a ÁTOMO 3091 N VAL B 22 -14,289 28,299 18,490 1.00 0.07 N ATOMO 3092 C? VAL B 22 -15,243 29,093 17,780 1.00 0.07 c ÁTOMO 3093 C VAL B 22 -16,438 28,234 17,559 1.00 0.07 c ÁTOMO 3094 O VAL B 22 -16.312 27.053 17.236 1.00 0.07 or ATOMO 3095 CB VAL B 22 -14.753 29.535 16.431 1.00 0.07 c ÁTOMO 3096 CGl VAL B 22 -15,891 30,274 15,710 1.00 0.07 c ATOM 3097 CG2 VAL B 22 -13,481 30,379 16,626 1.00 0.07 c ÁTOMO 3098 H VAL B 22 -14,083 27,370 18,135 1.00 0.00 H ATOM 3099 B? VAL B 22 -15,511 29,985 18,368 1.00 0.00 H ATOMO 3100 HB VAL B 22 -14,492 28,689 15,799 1.00 0.00 H ATCMO 3101 1HG1 VAL B 22 -15,529 30.772 14.795 1.00 0.00 H ATCMO 3102 2HG1 VAL B 22 -16,697 29,591 15,399 1.00 0.00 H ÁTOMO 3103 3HG1 VAL B 22 -16,314 31,040 16,376 1.00 0.00 H ÁTOMO 3104 1BG2 VAL B 22 -13,124 30,786 15,667 1.00 0.00 H ÁTOMO 3105 2HG2 VAL B 22 -13,699 31,230 17,292 1.00 0.00 H ÁTOMO 3106 3HG2 VAL B 22 -12,657 29,793 17,064 1.00 0.00 H ÁTOMO 3107 H TBR B 23 -17,641 28,800 17,762 1.00 0.06 N ATOMO 3108 C? THR B 23 -18,823 28,028 17,530 1.00 0.06 C ATOM 3109 c THR B 23 -19,615 28,740 16,486 1.00 0.06 C ATOMO 3110 OR TBR B 23 -19,909 29,927 16,612 1.00 0.06 O ATOMO 3111 CB THR B 23 -19,704 27.891 18.737 1.00 0.06 c ATOMO 3112 OG1 THR B 23 -18,992 27,254 19,787 1.00 0.06 or ATOMO 3113 CG2 THR B 23 -20.936 27,053 18,353 1.00 0.06 c ATOMO 3114 H THR B 23 -17,770 29,719 18,174 1.00 0.00 H ATOMO 3115 H? THR B 23 -18.554 27.016 17.215 1.00 0.00 H ATOM 3116 HB THR B 23 -20,030 28,886 19,078 1.00 0.00 H ATCMO 3117 HG1 TBR B 23.-19.557 27.282 20.569 1.00 0.00 H ATOM 3118 1HG2 THR B 23 -21,569 26,856 19,233 1.00 0.00 H ATCMO 3119 2BG2 THR B 23 -21.569 27.557 17.607 1.00 0.00 a ATOM 3120 3BG2 THR B 23 -20,629 26,075 17,945 1.00 0.00 3121 H LEO B 24 -19,967 28,020 15 P ATOM .407 1.00 0.06 N ATOM 3122 C? LEO B 24 -20.752 28.613 14.368 1.00 0.06 C ATOM 3123 c LEO B 24 -22,058 27,900 14,393 1.00 0.06 C ATOM 3124 or LEO B 24 -22,104 26,671 14,388 1.00 0.06 OR ATOM 3125 CB LEO B 24 -20,163 28.405 12.965 1.00 0.06 C ATOM 3126 CG LEO B 24 -18,783 29,062 12,774 1.00 0.06 μ ATOMO 3127 CDl LEO B 24 -18,246 28,827 11,352 1.00 0.06 μ ATOMO 3128 CD2 LEU B 24 -18,814 30,548 13,167 1.00 0.06 c ATOMO 3129 B LEO B 24 -19,673 27,055 15,277 1.00 0.00 H ATOMO 3130 B? LEU B 24 -20,868 29,681 14,551 1.00 0.00 B ÁTOMO 3131 1HB LEU B 24 -20,876 28,847 12,246 1.00 0.00 H ATOMO 3132 2HB LEU B 24 -20.105 27,329 12.729 1.00 0.00 B ÁTOMO 3133 BG LEO B 24 -18,071 28,564 13,461 1.00 0.00 H ATOM 3134 1HD1 LEO B 24 -17,231 29,242 11,246 1.00 0.00 H ATCMO 3135 2HD1 LEU B 24 -18,193 27,751 11,117 1.00 0.00 B ATCMO 3136 3HD1 LEU B 24 -18.893 29.306 10.600 1.00 0.00 H? TCMO 3137 1HD2 LEU B 24 -17.820 30.978 12.972 1.00 0.00 B ATCMO 3138 2HD2 LEO B 24 -19,551 31,110 12,571 1.00 0.00 H ATOM 3139 3HD2 LEU B 24 -19,058 30,667 14,225 1.00 0.00 B ATCMO 3140 N TBR B 25 -23,167 28,659 14,441 1.00 0.28 N ATOM 3141 C? TBR B 25 -24,439 28,009 14,453 1.00 0.28 C ATOM 3142 C TBR B 25 -25,210 28,557 13,308 1.00 0.28 c ATCMO 3143 OR THR B 25 -25,220 29,760 13,059 1.00 0.28 or ATOM 3144 CB TBR B 25 -25,235 28,276 15,697 1.00 0.28 C ATOM 3145 OG1 THR B 25 -24,523 27,828 16,841 1.00 0.28 b ? TOMO 3146 CG2 THR B 25 -26,580 27,539 15,588 1.00 0.28 c ATOMO 3147 H THR B 25 -23,128 29,672 14,385 1.00 0.00 a ATOM 3148 H? THR B 25 -24.321 26.920 14.354 1.00 0.00 a ATOM 3149 HB TBR B 25 -25,448 29,352 15,810 1.00 0.00 a ATOMO 3150 HG1 TBR B 25 -23,678 28,304 16,823 1.00 0.00 B ATOMO 3151 1BG2 TBR B 25 -27,114 27,581 16,552 1.00 0.00 B ATOMO 3152 2HG2 TBR B 25 -27,247 27,990 14,837 1.00 0.00 B ÁTOMO 3153 3HG2 TBR B 25 -26,441 26,473 15,342 1.00 0.00 H ATOM 3154 N CYS B 26 -25.87B 27,669 12,565 1.00 0.52 N ? TOMO 3155 C? CYS B 26 -26,616 28,143 11,446 1.00 0.S2 C TCMO 3156 c CYS B 26 -28.OSO 27.883 11.751 1.00 0.52 C ATOMO 3157 or CYS B 26 -28,460 26,734 11,908 1.00 0.52 0 ATCMO 3158 CB CYS B 26 -26,230 27,356 10,198 1.00 0.52 C ATCMO 3159 SG CYS B 26 -27,098 27,867 8.709 1.00 0.52 S ATOMO 3160 H CYS B 26 -25,872 26,670 12,726 1.00 0.00 H ATOMO 3161 B? CYS B 26 -26,399 29,195 11,235 1.00 0.00 H ATOMO 3162 1HB CYS B 26 -26,355 26,271 10,346 1.00 0.00 H ATOM 3163 2HB CYS B 26 -25,174 27,547 10,007 1.00 0.00 a ATCMO 3164 N? SH B 27 -28.853 28.959 11.836 1.00 0.35 N TOMO 3165 C? ? SH B 27 -30.232 28.793 12.176 1.00 0.35 c ATOMO 3166 C? SH B 27 -31,043 29,100 10,964 1.00 0.35 c ATOM 3167 0? SH B 27 -30,620 29,856 10,092 1.00 0.35 0 ATCMO 3168 CB ASN B 27 -30,713 29,749 13,280 1.00 0.35 fc ATOMO 3169 CG ASN B 27 -30,594 31,169 12,743 1.00 0.35 c ATCMO 3170 OD1? SN B 27 -29,551 31,568 12,228 1.00 0.35 b ATOMO 3171 ND2 ASN B 27 -31,698 31.954 12.8S5 1.00 0.35 N ÁTOMO 3172 H ASN B 27 -28,543 29,920 11,683 1.00 0.00 H ATOM 3173 B? ASH B 27 -30.415 27.767 12.532 1.00 0.00 k ÁTOMO 3174 1BB? SH B 27 -30,081 29,665 14,180 1.00 0.00 H ATOM 3175 2HB? SN B 27 -31,746 29,482 13,557 1.00 0.00 H ATOM 3176 1HD2? SN B 27 -32,530 31,636 13,316 1.00 0.00 H ATOM 3177 2HD2 ASN B 27 -31,598 32,913 12,574 1.00 0.00 a TCMO 3178 -l. GLY B 28 -32.237 28.485 10.876 1.00 0.15 N ATCMO 3179 C? GLY B 28 -33,101 28,725 9,762 1.00 0.15 fc ATCMO 3180 c GLY B 28 -33.969 27.521 9.623 1.00 0.15 C ATOMO 3181 or GLY B 28 -33,839 26,561 10,382 1.00 0.1S b ATOMO 3182 H GLY B 28 -32.52B 27.749 11.502 1.00 0.00 a ATOM 3183 1HA GLY B 28 -32,514 28,852 8,837 1.00 0.00 8 ATOM 3184 2HA GLY'B 28 -33,710 29,632 9,918 1.00 0.00 H ATOM 3185 N ASH B 29 -34,882 27,537 8.633 1.00 0.16 N ATOMO 3186 C? ASH B 29 -35,730 26,399 8,454 1.00 0.16 C ATOMO 3187 C ASH B 29 -34.852 25.276 8.021 1.00 0.16 c ATOM 3188 0 ASN B 29 -33,866 25,478 7,315 1.00 0.16 b? TCMO 3189 CB? SN B 29"-36,820 26,580 7,382 1.00 0.16 c ATCMO 3190 CG ASN B 29 -37,876 27,535 7,919 1.00 0.16 c ? TOMO 3191 OD1 ASN B 29 -37,878 27,893 9,096 1.00 0.16 b ? TOMO 3192 ND2 ASN B 29 -38,816 27,949 7,029 1.00 0.16 N ATOMO 3193 H ASH B 29 -35,006 28,318 8.013 1.00 0.00 H ATOMO 3194 H? ASN B 29 -36,207 26,143 9,419 1.00 0.00 H ATOM 3195 1HB ASN B 29 -37,363 25,641 7,240 1.00 0.00 H ATCMO 31962BB? SH B 29 -36,417 26,982 6,449 1.00 0.00 H TCMO 3197 1HD2 ASN B 29 -38,833 27,631 6,078 1.00 0.00 fl ATOMO 3198 2BD2 ASN B 29 -39,532 28,562 7,380 1.00 0.00 H ATOM 3199 H ASN B 30 -35,187 24,051 8,463 1.00 0.16 N ATCMO 3200 C? ASH B 30 -34,377 22,921 8,127 1.00 0.16 c ATOMO 3201 C ASN B 30 -35,268 21,823 7.645 1.00 0.16 c ATCMO 3202 OR ASN B 30 -36,420 21,713 8,060 1.00 0.16 or ATOMO 3203 CB? SN B 30 -33,609 22,375 9,339 1.00 0.16 c ATOMO 3204 CG? SN B 30 -32,795 21,178 8,886 1.00 0.16 c ATOMS 320S OD1? SN B 30 -32.210 21,159 7,805 1.00 0.16 0 ATOMO 3206 ND2? SH B 30 -32,781 20,126 9,746 1.00 0.16 N ÁTOMO .3207 H? SN B 30 -36.004 23.8S2 9,015 1.00 0.00 H ATOMO 3208 B? ? SN B 30 -33,660 23,196 7,338 1.00 0.00 H ATOMO 3209 1BB? SH B 30 -34,307 22,117 10,152 1.00 0.00 B ATOMO 3210 2BB? SN B 30 -32,904 23,133 9,720 1.00 0.00 H ÁTOMO 3211 1HD2? SN B 30 -33,323 20,099 10,587 1.00 0.00 H ÁTOMO 3212 2HD2? SH B 30 -32,195 19,340 9,478 1.00 0.00 H ATOMO 3213 H PHE B 31 -34,745 20,987 6.724 1.00 0.12 H ATOMO 3214 C? FHE B 31 -35,486 19,863 6.236 1.00 0.12 c ÁTOMO 3215 c PHB B 31 -35,228 18,765 7,212 1.00 0.12 c? TCMO 3216 or PHE B 31 -34,243 18,805 7,945 1.00 0.12 or ATOMO 3217 CB PHK B 31 -35,024 19,385 4.850 1.00 0.12 c ATOMO 3218 CG PHB B 31 -35,870 18,225 4,458 1.00 0.12 c ATOMO 3219 CDl FHE B 31 -37,137 IB.422 3,958 1.00 0.12 c ATOMO 3220 CD2 PHE B 31 -35,395 16,940 4,581 1.00 0.12 c? TCMO 3221 CEI PHE B 31 -37,919 17,353 3,589 1.00 0.12 c ATCMO 3222 CE2 PHE B 31 -36,173 15,867 4,215 1.00 0.12 Cl ÁTOMO 3223 CZ PHE B 31 -37,439 16,073 3,720 1.00 0.12 c ÁTOMO 3224 H PHE B 31 -33,732 20,891 6,678 1.00 0.00 B ATOM 3225 B? PBE B 31 -36,560 20,108 6.225 1.00 0.00 H ÁTOMO 3226 1BB PHE B 31 -33,955 19,120 4,883 1.00 0.00 H ÁTOMO 3227 2HB PBE B 31 -35,127 20,202 4,121 1.00 0.00 H ATOM 3228 BD1 PHE B 31 -37,521 19,428 3,830 1.00 0.00 B ATOMO 3229 BD2 PHE B 31 -34,399 16,800 4,975 1.00 0.00 H ATOMO 3230 BEI PHE B 31 -38.916 17.520 3.188 1.00 0.00 B ? TOMO 3231 HE2 PHE B 31 -35,783 14,857 4,316 1.00 0.00 8 ÁTOMO 3232 BZ FHE B 31 -38,053 15,224 3,428 1.00 0.00 H ÁTOMO 3233 H PHE B 32 -36,111 17,753 7.268 1.00 0.11 H ATOMO 3234 C? PHE B 32 -35,851 16,728 8.229 1.00 0.11 c ÁTOMO 3235 c PHE B 32 -34.911 15,762 7.598 1.00 0.11 c ATOMO 3236 or PHB B 32 -35,322 14,780 6,982 1.00 0.11 0 ? TOMO 3237 CB PHE B 32 -37.114 15.971 8.670 1.00 0.11 c ATOMO 3238 CG PHE B 32 -37.971 16.991 9.336 1.00 0.11 C | ATCMO 3239 CDl PHE B 32 -38,800 17,790 8,583 1.00 0.11 c ATOMO 3240 CD2 PHE B 32 -37.941 17.160 10.700 1.00 0.11 c ATOMO 3241 CEI FHE B 32 -39.597 18.739 9.178 1.00 0.11 c ÁTOMO 3242 CE2 FHE B 32 -38,735 18,108 11,300 1.00 0.11 c ATOMO 3243 CZ PHE B 32 -39.564 18.899 10.542 1.00 0.11 c ÁTOMO 3244 H PBE B 32 -36,832 17,591 6,586 1.00 0.00 H ATOM 3245 B? FBE B 32 -35,409 17,166 9,143 1.00 0.00 8 ATOMO 3246 1BB PHE B 32 -36,811 15,166 9,358 1.00 0.00 H ATCMO 3247 2BB PHE B 32 -37,630 15,498 7,820 1.00 0.00 8 ATCMO 3248 BD1 PHB B 32 -38.864 17.652 7.507 1.00 0.00 H ATOMO 3249 BD2 PHE B 32 -37.287 16.539 11.307 1.00 0.00 H ATCMO 3250 HE1 PHE B 32 -40,252 19,360 8,572 1.00 0.00 B ATCMO 3251 HB2 PHB B 32 -38,706 18,233 12,380 1.00 0.00 H ATCMO 3252 HZ PHE B 32 -40,190 19,649 11,019 1.00 0.00 H ÁTOMO 3253 H GLU B 33 -33,600 16,034 7.738 1.00 0.10 H ATCMO 3254 C? GLO B 33 -32,616 15,164 7,171 1.00 0.10 c ATOMO 3255 c GLU'B 33 -31.455 15.127 8.108 1.00 0.10 c¡ ÁTOMO 3256 or GLU B 33 -31,273 16,029 8,926 1.00 0.10 or ÁTOMO 3257 CB GLO B 33 -32,084 15,638 5,809 1.00 0.10 ci ATOMO 3258 CG GLO B 33 -31,401 17,006 5,863 1.00 0.10 C | ATCMO 3259 CD GLU B 33.-30.934 17.340 4.456 1.00 0.10 Cl ÁTOMO 3260 OS1 GLU B 33 -30,393 16,424 3,782 1.00 0.10 or ÁTOMO 3261 OE2 GLU B 33 -31,113 18,515 4,035 1.00 0.10 ATOMO 3262 B GLU B 33 -33,258 16,896 8,139 1.00 0.00 H ATCMO 3263 B? GLU B 33 -33,037 14,148 7,082 1.00 0.00 H ATOMO 3264 1HB GLU B 33 -32,872 15,591 5,047 1.00 0.00 Hl ÁTOMO 3265 2BB GLU B 33 -31,344 14,879 5,494 1.00 0.00 ÁTOMO 3266 1BG GLU B 33 -30,551 16,931 6,547 1.00 0.00 H H¡ ATCMO 3267 2HG GLU B 33 -32,064 17,799 6,243 1.00 0.00 H ÁTOMO 3268 H VAL B 34 -30,644 14,058 8,020 1.00 0.09 H ATOM 3269 C? VAL B 34 -29,511 13,941 8,884 1.00 0.09 c ÁTONO 3270 C VAL B 34 -28,559 15,048 8,570 1.00 0.09 c ATCMO 3271 or VAL B 34 -28,077 15,734 9,470 1.00 0.09 b ÁTONO 3272 CB VAL B 34 -28,792 12,637 8,712 1.00 0.09 fc ÁTOMO 3273 CGl VAL B 34 -27,594 12,606 9.674 1.00 0.09 c ATCMO 3274 CG2 VAL B 34 -29,797 11,497 8,948 1.00 0.09 c TCMO 3275 8 VAL B 34 -30,815 13,314 7,366 1.00 0.00 H ? TOMO 3276 B? VAL B 34 -29,835 14,056 9,932 1.00 0.00 H ? TOMO 3277 BB VAL B 34 -28,403 12,546 7,681 1.00 0.00 H ÁTOMO 3278 1HG1 VAL B 34 -27,078 11,632 9,646 1.00 0.00 H ATCMO 3279 2HG1 VAL B 34 -26,840 13,370 9,421 1.00 0.00 H ÁTOMO 3280 3HG1 VAL B 34 -27,914 12,776 10,716 1.00 0.00 H ÁTOMO 3281 1BG2 VAL B 34 -29,295 10,514 8,942 1.00 0.00 8 ATOMO 3282 2BG2 VAL B 34 -30,288 11,600 9,931 1.00 0.00 8 ATOMO 3283 3HG2 VAL B 34 -30.583 11.448 8.178 1.00 0.00 H ÁTOMO 3284 H SER B 35 -28,277 15,279 7.274 1.00 0.11 N ATOM 3285 C? SER B 35 -27,364 16,335 6,942 1.00 0.11 C ? TCMO 3286 C SER B 35 -28,183 17,559 6,696 1.00 0.11 c ATOMO 3287 OR SER B 35 -28.493 17.913 5.559 1.00 0.11 O ÁTOMO 3288 CB SER B 35 -26,512 16,040 5,689 1.00 0.11 c ÁTOMO 3289 OG SER B 35 -27,339 15,843 4,552 1.00 0.11 b ÁTOMO 3290 H SER B 35 -28,722 14,814 6,501 1.00 0.00 8 ÁTO OR 3291 B? SER B 35 -26,655 16,496 7,772 1.00 0.00 8 ÁTONO 3292 1HB SER B 35 -25,922 15,124 5,827 1.00 0.00 8 ATCMO 3293 2HB SER B 35 -25.813 16.882 5.528 1.00 0.00 H ? TOMO 3294 HG SER B 3S -27.978 16.589 4.533 1.00 0.00 H ? TOMO 3295 N SBR B 36 -28,548 18,243 7,794 1.00 0.27 N ? TCMO 3296 C? SBR B 36 -29,398 19,394 7,742 1.00 0.27 C ÁTOMO 3297 c SER B 36 -28,707 20,528 7,057 1.00 0.27 c ÁTOMO 3298 or SER B 36 -29,282 21,190 6,194 1.00 0.27 b ÁTOMO 3299 CB SER B 36 -29,776 19,889 9,147 1.00 0.27 c ? TOMO 3300 OG SER B 36 -30.410 18.B46 9.871 1.00 0.27 p ATOMO 3301 H SER B 36 -28,475 17,775 8,692 1.00 0.00 H ATOM 3302 B? SER B 36 -30,315 19,170 7,176 1.00 0.00 H ATOMO 3303 1HB SER B 36 -30.346 20.826 9.116 1.00 0.00 H ÁTOMO 3304 2HB SER B 36 -28,841 20,156 9.675 1.00 0.00 H ? TOMO 3305 BG SBR B 36 -30,330 19,061 10,811 1.00 0.00 8 ATOMO 3306 H TBR 8 37 -27,431 20,777 7,399 1.00 0.48 N ? TOMO 3307 C? TBR B 37 -26,842 21,964 6,858 1.00 0.48 C ATOMO 3308 c THR B 37 -25,567 21,675 6,148 1.00 0.48 C ATOMO 3309 or THR B 37 -24,911 20,660 6,377 1.00 0.48 O ? TOMO 3310 CB TBR B 37 -26,522 22,984 7.901 1.00 0.48 c ? TOMO 3311 OG1 TBR B 37 -25.965 24.129 7.283 1.00 0.48 or ATOMO 3312 CG2 TBR B 37 -25,515 22,381 8,896 1.00 0.48 c ÁTOMO 3313 H TBR B 37 -26,848 20,135 7,907 1.00 0.00 H • ? TOMO 3314 BA TBR B 37 -27,514 22,445 6,132 1.00 0.00 H ? TOMO 3315 HB TBR B 37 -27,418 23,228 8,460 1.00 0.00 H ? TOMO 3316 HG1 THR B 37 -25,716 24,744 7,987 1.00 0.00 H ATCMO 3317 1HG2 THR B 37 -25,307 23,154 9,649 1.00 0.00 H ATCMO 3318 2BG2 THR B 37 -25,923 21,495 9,398 1.00 0.00 H ATOM 3319 3BG2 THR B 37 -24,557 22,126 8,418 1.00 0.00 H ATOMO 3320 N LYS B 38 -25,205 22,598 5.235 1.00 0.41 N ATOMO 3321 CA LYS B 38 -23,972 22,506 4,517 1.00 0.41 fc ATOMO 3322 C LYS B 38 -23,171 23,683 4,969 1.00 0.41 C ATOMO 3323 OR LYS B 38 -23,687 24,798 5,054 1.00 0.41 O ATOMO 3324 CB LYS B 38 -24,131 22,656 2,995 1.00 0.41 c ATOM 3325 CG LYS B 38 -25,186 21,731 2,385 1.00 0.41 c ATOMO 3326 CD LYS'B 38 -26,617 22,138 2,751 1.00 0.41 c ÁTOMO 3327 CB LYS B 38 -27,700 21,373 1,986 1.00 0.41 c ÁTOMO 3328 HZ LYS B 38 -29,037 21,900 2,348 1.00 0.41 N1 + ATCMO 3329 B LYS B 38 -25,630 23,518 5,314 1.00 0.00 k ATOM 3330 B? LYS B 38.-23,477 21,547 4,738 1.00 0.00 a ATCMO 3331 1HB LYS B 38 -23,141 22,476 2,541 1.00 0.00 k ATCMO 3332 2HB LYS B 38 -24,408 23,693 2,761 1.00 0.00 H ÁTOMO 3333 1HG LYS B 38 -24,996 20,683 2,681 1.00 0.00 H ? TOMO 3334 2HG LYS B 38 -25.082 21.760 1.285 1.00 0.00 H ? TOMO 3335 ÍHD LYS B 38 -26,726 23,208 2,649 1.00 0.00 H ATOM 3336 2HD LYS B 38 -26,849 21,891 3,795 1.00 0.00 H ? TCMO 3337 1HE LYS 8 38 -27,684 20,301 2,244 1.00 0.00 H ATOM 33382HE LYS B 38 -27,598 21,468 0.893 1.00 0.00 H ATOMO 3339 1BZ LYS B 38 -29,782 21,422 1,855 1.00 0.00 fl ATOM 3340 2BZ LYS B 38 -29,227 21,774 3,336 1.00 0.00 H ATOM 3341 3BZ LYS B 38 -29,137 22,884 2,132 1.00 0.00 B ATOMO 3342 H TRF B 39 -21,884 23,465 5,297 1.00 0.18 N ATOM 3343 C? TRP B 39 -21,073 24,572 5,707 1.00 0.18 c ÁTOMO 3344 C TRP B 39 -20,040 24,787 4,659 1.00 0.18 c ATOMO 3345 OR TRP B 39 -19,565 23,841 4,034 1.00 0.18 or ATOMO 3346 CB TRP B 39 -20.331 24.376 7.044 1.00 0.18 c ATOM 3347 CG TRP B 39 -21,211 24,487 8.268 1.00 0.18 c ATCMO 3348 CDl TRF B 39 -21,745 23,516 9,062 1.00 0.18 c ATCMO 3349 CD2 TRP B 39 -21,658 25,743 8,802 1.00 0.18 c ATOMO 3350 NEI TRF B 39 -22,498 24,090 10,062 1.00 0.18 N ATOMO 3351 CE2 TRP B 39 -22,453 25,461 9.912 1.00 0.18 c ATOM 3352 CE3 TRP B 39 -21,425 27,026 8.397 1.00 0.18 c ÁTOMO 3353 CZ2 TRP B 39 -23,031 26,465 10,636 1.00 0.18 c ATTACK 3354 CZ3 TRF B 39 -22,006 28,036 9.130 1.00 0.18 c ÁTOMO 3355 CB2 TRF B 39 -22,793 27,761 10,228 1.00 0.18 c ATOMO 3356 H TRP B 39 -21,423 22,572 5,234 1.00 0.00 H ATCMO 3357 H? TRP B 39 -21,686 25,480 5,806 1.00 0.00 H ÁTOMO 3358 1HB TRP B 39 -19.S41 2S.146 7.108 1.00 0.00 H ATOM 3359 2HB TRP B 39 -19,802 23,412 7,047 1.00 0.00 H ATOMO 3360 HDl TRP B 39 -21,773 22,453 8,874 1.00 0.00 fl ATOMO 3361 HE1 TRP B 39 -23,076 23,572 10,695 1.00 0.00 H TCMO 3362 HE3 TRP B 39 -20,762 27,244 7,571 1.00 0.00 H ? TOMO 3363 HZ2 TRP B 39 -23,620 26,247 11,520 1.00 0.00 H ATCMO 3364 HZ3 TRF B 39 -21,828 29,070 8,842 1.00 0.00 fl ATOMO 3365 HH2 TRP B 39 -23,235 28,564 10,806 1.00 0.00 fl ATOM 3366 H PHE B 40 -19,690 26,063 4,416 1.00 0.08 N ATOM 3367 C? PHE B 40 -18,688 26,328 3,434 1.00 0.08 c ATOMO 3368 c PHE B 40 -17,664 27,212 4,057 1.00 0.08 c ? TOMO 3369 or PHE B 40 -17,990 28,127 4,811 1.00 0.08 0 ÁTOMO 3370 CB PHB B 40 -19,229 27,050 2,190 1.00 0.08 c ATOMO 3371 CG FHE B 40 -20,153 26,100 1,514 1.00 0.08 c ATCMO 3372 CDl FHE B 40 -21,465 25,994 1,916 1.00 0.08 c ATCMO 3373 CD2 PHE B 40 -19,703 25,313 0.478 1.00 0.08 c ATOM 3374 CEI PHE 8 40 -22,315 25,114 1,291 1.00 0.08 c ATOM 3375 CE2 PBE B 40 -20,551 24,431 -0,150 1.00 0.08 c ÁTOMO 3376 CZ PHE B 40 -21.860 24.332 0.257 1.00 0.08 c ATCMO 3377 B PBB B 40 -20.105 26.8S3 4.892 1.00 0.00 H TCMO 3378 H? PHE B 40 -18,309 25,372 3,136 1.00 0.00 H ATCMO 3379 IflB PHB B 40 -18,376 27,311 1,549 1.00 0.00 B ATOM 33B0 2BB PHE B 40 -19,730 27.984 2.471 1.00 0.00 H TCMO 3381 HDL PHB B 40 -21.845 26.623 2.717 1.00 0.00 H ATCMO 3382 HD2 PHE B 40 -18,680 25,415 0.131 1.00 0.00 a ÁTOMO 3383 BEI PHE B 40 -23,355 25,087 1,589 1.00 0.00 H ÁTOMO 3384 BE2 PHB B 40 -20.212 23.880 -1.022 1.00 0.00 H ATONO 3385 BZ FHE B 40 -22,535 23,650 -0,252 1.00 0.00 B ATOMUS 3386 N HI3 B -16,383 26,921 3,777 1.00 0.10 N ATOM 3387 C? HXS B -15.322 27.757 4.242 1.00 0.10 c ATOMO 3388 C BIS B -14,620 28,223 3,014 1.00 0.10 c ATOMO 3389 OR BIS B -14,100 27,419 2,242 1.00 0.10 or ATCMO 3390 CB BIS B -14,287 27,030 5,109. 1.00 0.10 c ATCMO 3391 CG BIS B -13.274 27.973 5.682 1.00 0.10 c- ATOM 3392 ND1 HIS B -12.236 27.588 6.499 1.00 0.10 N ATOMO 3393 CD2 BTS B -13,159 29,322 5,541 1.00 0.10 c ATCMO 3394 CEI BIS B -11,548 28,715 6,810 1.00 0.10 c ATCMO 3395 HE2 BIS B -12,071 29.794 6.253 1.00 0.10 N ATCMO 3396 H BIS B -16,137 26,064 3,279 1.00 0.00 B ATCMO 3397 H? BIS'B -15,740 28,586 4,831 1.00 0.00 H? TCMO 3398 1HB BIS B -13,799 26,218 4,545 1.00 0.00 H TCMO 3399 2HB BIS B -14,824 26,533 5,938 1.00 0.00 H ATCMO 3400 HD2 BIS B -13,745 30,040 5,019 1.00 0.00 H ÁTOMO 3401 HE1 BXS B -10,615 28,670 7,349 1.00 0.00 B ATCMO 3402 HEZ HXS B -11,766 30,724 6,456 1.00 0.00 H ATCMO 3403 N? SH B 42 -14.593 29.547 2.797 1.00 0.11 N ? TOMO 3404 C? ASN B 42 -13.967 30.065 1.622 1.00 0.11 C ATOMO 3405 c ASN B 42 -14,617 29,423 0.440 1.00 0.11 c ATOMO 3406 or? SN B 42 -14,003 29,264 -0,614 1.00 0.11 0 ATCMO 3407 CB? SN B 42 -12,450 29.807 1.562 1.00 0.11 c ATOMO 3408 CG ASH B 42 -11,781 30,743 2,558 1.00 0.11 c ATOM 3409 OD1 ASN B 42 -12,427 31,620 3,129 1.00 0.11 O ATOMO 3410 HD2? SN B 42 -10,447 30,568 2,758 1.00 0.11 N ATOMO 3411 H? SN B 42 -14,895 30,202 3,517 1.00 0.00 8 ATOMO 3412 H? ? SN B 42 -14,186 31,144 1,529 1.00 0.00 B ATOMUM 3413 1HB? SN B 42 -12,064 30,095 0.568 1.00 0.00 B ATOMO 3414 2HB? SN B 42 -12,163 28,762 1,744 1.00 0.00 H ATOMO 3415 1HD2 SN B 42 -9,941 29,816 2,328 1.00 0.00 a ÁTOMO 3416 2HD2 ASH B 42 -9,999 31,137 3,458 1.00 0.00 k ATOMUM 3417 H GLY B 43 -15,899 29,045 0.589 1.00 0.08 N? TCMO 3418 C? GLY B 43 -16.624 28.488 -0.515 1.00 0.08 C ATCMO 3419 c GLY B 43 -16.364 27.018 -0.611 1.00 0.08 c ATOMO 3420 or GLY B 43 -16,830 26,369 -1,546 1.00 0.08 b ÁTOMO 3421 H GLY B 43 -16,266 28,914 1,519 1.00 0.00 k ÁTOMO 3422 1HA GLY B 43 -16,323 28,969 -1,458 1.00 0.00 k ATOMO 3423 2BA GLY B 43 -17,706 28,635 -0,374 1.00 0.00 k ATCMO 3424 H SER B 44 -15,617 26,438 0.346 1.00 0.15 H ATOMO 3425 C? SER B 44 -15.375 25.028 0.255 1.00 0.15 c ÁTOMO 3426 c SBR B 44 -16.345 24.356 1.167 1.00 0.15 c ATCMO 3427 OR BE B 44 -16,513 24,755 2,317 1.00 0.15 0 ÁTOMO 3428 CB SER B 44 -13.964 24.604 0.694 1.00 0.15 c ÁTOMO 3429 OG SER B 44 -13,788 24,860 2,080 1.00 0.15 0 ATOMO 3430 S SER B 44 -15,082 26,974 1,012 1.00 0.00 B ATOMO 3431 HA BE B 44 -15.486 24.690 -0.788 1.00 0.00 B ÁTOMO 3432 1HB SER B 44 -13,183 25,094 0.087 1.00 0.00 B ATOMO 3433 2HB SER B 44 -13.867 23.517 0.561 1.00 0.00 H ATCMO 3434 BG SBR B 44 -13.580 25.804 2.177 1.00 0.00 B ATOMO 3435 H LEO B 45 -17,025 23,310 0.666 1.00 0.35 N ATOM 3436 C? LEO B 45 -17,997 22,626 1.46S 1.00 0.35 C ATCMO 3437 c LEU B 45 -17.255 21.852 2.504 1.00 0.35 c ATCMO 3438 or LEO B 45 -16,195 21,288 2,241 1.00 0.35 or ÁTOMO 3439 ca LEO B 45 -18,886 21,676 0.622 1.00 0.35 c ? TOMO 3440 CG LEO B 45 -20.000 20.880 1.345 1.00 0.35 c ATCMO 3441 CDl LEO B 45 -20,847 20,099 0.328 1.00 0.35 c ÁTOMO 3442 CD2 LEO B 45 -19,465 19,928 2,433 1.00 0.35 c ATOMO 3443 H LEO B 45 -16,840 22,935 -0,247 1.00 0.00 H ATCMO 3444 H? LSO B 45 -18,651 23,382 1,916 1.00 0.00 H TCMO 3445 1HB LEO B 45 -18.218 20.935 0.143 1.00 0.00 B ATCMO 3446 2HB LEO B 45 -19.327 22.235 -0.212 1.00 0.00 H ÁTOMO 3447 BG LEO B 45 -20,665 21,614 1,840 1.00 0.00 B ATOMO 3448 1HD1 LEU B 45 -21,676 19,564 0.821 1.00 0.00 H ÁTOMO 3449 2HDl LEU B 45 -21.291 20,767 -0.428 1.00 0.00 H ATCMO 3450 3HD1 LEO B 45 -20.234 19.352 -0.203 1.00 0.00 H ATCMO 3451 1HD2 LEO B 45 -19,720 18,886 2,158 1.00 0.00 H ATOMO 3452 2HD2 LEO B 45 -18,389 19,861 2,575 1.00 0.00 B ÁTOMO 3453 3HD2 LEU B 45 -20,074 20,108 3,311 1.00 0.00 fl ATOMO 3454 N SER B 46 -17,808 21,826 3,734 1.00 0.48 N ATOM 3455 C? BE B 46 -17,218 21,081 4,809 1.00 0.48 C ÁTOMO 3456 c SER B 46 -18,124 19,925 5,078 1.00 0.48 c ATOMUM 3457 or SER B 46 -19.320 20.09S 5.301 1.00 0.48 b ATCMO 345B CB SER B 46 -17,159 21,829 6,154 1.00 0.48 c ATOMO 3459 OG SER B 46 -16.268 22.929 6.093 1.00 0.48 or ÁTOMO 3460 H SER B 46 -18,582 22,438 3,972 1.00 0.00 H ATCMO 3461 KA SER B 46 -16,185 20,797 4,554 1.00 0.00 fl ATOMO 3462 1HB SER B 46 -16,623 21,080 6,739 1.00 0.00 μ ÁTOMO 3463 2HB SER B 46 -18,133 22,087 6.591 1.00 0.00 a ÁTOMO 3464 HG SER B 46 -16,007 23,091 7,021 1.00 0.00 a ATOMO 3465 N GLU B 47 -17,561 18,708 5,029 1.00 0.44 N ATOM 3466 C? GLU B 47 -18,248 17,483 5,316 1.00 0.44 fc ATCMO 3467 C GLO B 47 -18,453 17,380 6,797 1.00 0.44 c ATOMUM 346B OR GLO'B 47 -19,343 16,668 7,271 1.00 0.44 b ATOMO 3469 CB GLO B 47 -17,440 16,244 4,906 1.00 0.44 fc ATCMO 3470 CG GLO B 47 -16,115 16,136 5,662 1.00 0.44 c? TCMO 3471 CD GLO B 47 -15,396 14,878 5,203 1.00 0.44 c ATOMO 3472 OEl GLO B 47 -15,858 14,260 4,206 1.00 0.44 0 ÁTOMO 3473 OE2 GLU B 47 '-14,373 14,517 5,844 1.00 0.44 Ol ? TOMO 3474 H GLU B 47 -16.607 18.5B3 4.722 1.00 0.00 H? TCMO 3475 B? GLU B 47 -19,239 17,485 4,833 1.00 0.00 H ÁTOMO 3476 1BB GLO B 47 -17,273 16,281 3,815 1.00 0.00 H ÁTOMO 3477 2HB GLO B 47 -18,068 15,358 5.110 1.00 0.00 a ATCMO 3478 1HG GLU B 47 -16,248 16,052 6,752 1.00 0.00 H ATCMO 3479 2HG GLU B 47 -15,450 16,998 5,494 1.00 0.00 H ATOMUM 3480 H GLU B 48 -17,608 18,100 7,551 1.00 0.45 H ATCMO 3481 C? GLO B 48 -17.419 17.985 8.969 1.00 0.4S C TCMO 3482 C GLO B 48 -18,648 18,126 9,823 1.00 0.45 c ? TOMO 3483 OR GLU B 48 -18.857 17.287 10.697 1.00 0.45 O ATOMO 3484 CB GLO B 48 -16.414 19.033 9.468 1.00 0.45 c ? TOMO 3485 CG GLO B 48 -16.862 20.463 9.154 1.00 0.45 c? TCMO 3486 CD GLO B 48 -15.749 21.419 9.560 1.00 0.45 c ATOMO 3487 OBI GLU B 48 -14,717 20,938 10,099 1.00 0.45 0 ÁTOMO 348B OE2 GLO B 48 -15.917 22.647 9.333 1.00 0.45 Ol ? TOMO 3489 H GLO B 48 -16.949 18.691 7.075 1.00 0.00 H TOMO 3490 H? GLU B 48 -17,016 16,981 9,188 1.00 0.00 B TCMO 3491 1BB GLO B 48 -15,437 18,814 8,999 1.00 0.00 B ATOMUM 3492 2KB GLO B 48 -16.290 18,894 10,557 1.00 0.00 H ÁTOMO 3493 1HG GLO B 48 -17,656 20,717 9,869 1.00 0.00 B ATCMO 3494 2HG GLO B 48 -17.412 20,608 8.238 1.00 0.00 B ATCMO 3495 N THR B 49 -19,523 19,131 9,626 1.00 0.55 H ? TOMO 3496 C? THR B 49 -20,475 19,275 10,695 1.00 0.55 c ATCMO 3497 c THR B 49 -21,869 19,563 10,218 1.00 0.55 C ? TOMO 3498 or THR B 49 -22,124 19,788 9,036 1.00 0.55 O? VOLUME 3499 CB THR B 49 -20,062 20,399 11,603 1.00 0.55 c ATOMO 3500 OG1 THR B 49 -20,882 20,478 12,757 1.00 0.55 o ATOMO 3501 CG2 THR B 49 -20,139 21,702 10,795 1.00 0.55 c ATOMO 3502 H THR B 49 -19,450 19,828 8,907 1.00 0.00 H ? TOMO 3503 H? THR B 49 -20,596 18,355 11,285 1.00 0.00 H ATOMO 3504 HB THR B 49 -19,051 20,098 11,919 1.00 0.00 H ÁTOMO 3505 BG1 THR B 49 -20,702 21,317 13,210 1.00 0.00 H ATOMO 3506 1HG2 TBR B 49 -19,326 22,416 10,800 1.00 0.00 8 ATOMO 3507 2HG2 THR B 49 -20,226 21,509 9.715 1.00 0.00 8 ATOMO 3508 3HG2 TBR B 49 -21,061 22,206 11,101 1.00 0.00 B ? TOMO 3509 N? SH B 50 -22,808 19,535 11,191 1.00 0.44 H ? TOMO 3510 C? ? SH B 50 -24,216 19,765 11,036 1.00 0.44 C TCMO 3511 c? SN B 50 -24,526 21,176 11,431 1.00 0.44 C ATOMUM 3512 or? SN B 50 -23,788 22,110 11,124 1.00 0.44 O ? TOMO 3513 CB? SH B 50 -25,082 18,854 11,923 1.00 0.44 C ATOMO 3514 CG? SH B 50 -24,987 17,436 11,383 1.00 0.44 c ATOM 3515 OD1? SH B 50 -25,306 17,184 10,223 1.00 0.44 or ATOMO 3516 HD2? SH B 50 -24,536 16,483 12,243 1.00 0.44 H ÁTOMO 3517 H? SH B 50 -22,432 19,612 12,132 1.00 0.00 H ATCMO 3518 B? ? SH B 50 -24,490 19,648 9,974 1.00 0.00 a ATCMO 3519 1HB? SH B 50 -26,160 19,052 11,801 1.00 0.00 B ÁTOMO 3520 2HB ASH B SO -24,811 18,926 12,988 1.00 0.00 B? TOMO 3521 1HD2 ASH B 50 -24,229 16,692 13,173 1.00 0.00 B? TCMO 3522 2HD2 ASH B 50 -24,434 15,557 11,862 1.00 0.00 B? TCMO 3523 N SER B 51 -25,661 21.345 12.140 1.00 0.25 H TCMO 3524 C? SER B 51 -26,182 22,633 12,494 1.00 0.25 c ? TOMO 3525 C SER B 51 -25,171 23,418 13,267 1.00 0.25 c ÁTOMO 3526 OR SER B 51 -24.943 24.590 12.969 1.00 0.25 or ATOMO 3527 CB SER B 51 -27,446 22,542 13,365 1.00 0.25 c ÁTOMO 3528 OG SER B 51 -27,126 21,972 14,625 1.00 0.25 0 ? TOMO 3529 8 SER B 51 -26,217 20,565 12,448 1.00 0.00 H ATCMO 3530 B? BE B 51 -26,415 23,201 11,580 1.00 0.00 H ÁTOMO 3531 1HB SER B 51 -28,208 21,903 12.897 1.00 0.00 8 ÁTONO 3532 2HB SER B 51 -27,883 23,550 13,489 1.00 0.00 a ATOM 3533 HG. SER B 51 -26,652 22,654 15,134 1.00 0.00 B ÁTOMO 3534 H SBR B 52 -24,525 22,810 14,278 1.00 0.14 N ? TOMO 3535 C? BE B 52 -23.591 23.593 15.036 1.00 0.14 C ATCMO 3536 c SER B 52 -22.214 23.106 14.740 1.00 0.14 c ATOM 3S37 or SBR B 52 -21.944 21.906 14.768 1.00 0.14 or ATCMO 3538 CB SBR B 52 -23,794 23,486 16,557 1.00 0.14 c ÁTOMO 3539 OG SBR'B 52 -25,058 24,020 16,919 1.00 0.14 or ÁTOMO 3540 H SER B 52 -24,570 21,822 14,458 1.00 0.00 B ATOM 3541 B? BE B 52 -23,702 24,662 14,810 1.00 0.00 B ATCMO 3542 1BB SBR B 52 -22.979 24,029 17,070 1.00 0.00 a ATCMO 3543 2HB SER B 52 -23,770 22,444 16.905 1.00 0.00 a ATOM 3S44 BG SER B 52 -24,950 24,982 16,985 1.00 0.00 B ÁTOMO 3545 H LEO B 53 -21.296 24,040 14,422 1.00 0.09 N TCMO 3546 C? LEU B 53 -19,948 23,630 14,179 1.00 0.09 C ATOMO 3547 C LEO B 53 -19,099 24,280 15,218 1.00 0.09 c ATOMO 3548 OR LEO B 53 -19,090 25,503 15,358 1.00 0.09 or ATCMO 3549 CB LEO B 53 -19,400 24,033 12,798 1.00 0.09 ATCMO 3550 CG LEU B 53 -17.946 23.579 12.554 1.00 0.09? VOLUME 3551 CDl LEO B 53 -17.822 22.049 12.594 1.00 0.09 C ATOMO 3552 CD2 LEO B 53 -17,391 24,172 11,251 1.00 0.09 c ÁTOMO 3553 B LEU B 53 -21.497 25.037 14.378 1.00 0.00 H ATOMUS 3554 B? LEU B 53 -19,873 22,545 14,292 1.00 0.00 8 ? TOMO 3555 1HB LEU B 53 -19.407 25,138 12,754 1.00 0.00 B ? TOMO 3556 2HB LEU B 53 -20.106 23,754 12,014 1.00 0.00 8 ATOMO 3557 HG LEU B 53 -17,335 23,996 13,377 1.00 0.00 B ATCMO 3558 1HD1 LEU B 53 -16.829 21.811 13.024 1.00 0.00 a ÁTOMO 3559 2BD1 LEU B 53 -18,521 21,535 13,257 1.00 0.00 B ÁTOMO 3560 3HD1 LEU B 53 -17,754 21,594 11,609 1.00 0.00 B ÁTOMO 3561 1BD2 LEU B 53 -16,302 24,018 11,201 1.00 0.00 B? TCMO 3562 2HD2 LEU B 53 -17,862 23,765 10,346 1.00 0.00 B ATCMO 3563 3BD2 LEO B 53 -17,544 25,264 11,226 1.00 0.00 8 ATOMO 3564 N ASN B 54 -18,372 23,461 15,998 1.00 0.09 N ATOM 3565 C? ASH B 54 -17,529 24,012 17,013 1.00 0.09 c ATCMO 3566 c? SH B 54 -16,131 23,631 16,666 1.00 0.09 c? TCMO 3567 O? SH B 54 -15,849 22,471 16,374 1.00 0.09 0? TCMO 3568 CB ASH B 54 -17,800 23,445 18,416 1.00 0.09 c? TCMO 3569 CG? SN B 54 -16.982 24.254 19.411 1.00 0.09 c TCMO 3570 OD1? SN B 54 -16.409 25.286 19.069 1.00 0.09 0? TCMO 3571 ND2 ASN B 54 -16.916 23,767 20,679 1.00 0.09 N ÁTOMO 3572 B ASN B 54 -18,263 22,475 15,832 1.00 0.00 a ATOMO 3573 HA ASH B 54 -17,682 25,091 17,053 1.00 0.00 B ÁTOMO 3574 1BB? SH B 54 -17,555 22,373 18,473 1.00 0.00 H ATOMO 3575 2HB? SN B 54 -18.867 23.568 18.670 1.00 0.00 B ÁTOMO 3576 1BD2 ASN B 54 -17,372 22,916 20,949 1.00 0.00 8 ÁTOMO 3577 2HD2 ASN B 54 -16,360 24,293 21,330 1.00 0.00 B ATOMO 3578 N XLE B 55 -15,213 24,611 16,677 1.00 0.08 N TOMO 3579 C? XLE B 55 -13.8S4 24,291 16,377 1.00 0.08 c ? TOMO 3580 C ILE B 55 -13,041 24,735 17,542 1.00 0.08 c ATOM 3S81 OR ILE B 55 -13,338 25,745 18,178 1.00 0.08 or ÁTOMO 3582 CB XLE B 55 -13,310 25,010 15,178 1.00 0.08 c TCMO 3583 CGl XLE B 55 -13,293 26,527 15,424 1.00 0.08 c ATCMO 3584 CG2 XLE B 55 -14,135 24,589 13,950 1.00 0.08 c ÁTOMO 3585 CDl XLE B 55 -12,481 27,296 14,384 1.00 0.08 c ÁTOMO 3586 H XLE B 55 -15,436 25,536 17,039 1.00 0.00 B ATOMUM 3587 H? XLE B 5S -13,731 23,205 16,238 1.00 0.00 a ÁTOMO 3588 HB XLE B 55 -12,270 24,659 15,038 1.00 0.00 8 ATCMO 3589 1HG1 XLE B 55 -12,814 26,841 16,356 1.00 0.00 H ÁTOMO 3590 2HG1 XLE B 55 -14,341 26,851 15,420 1.00 0.00 H ATCMO 3591 1BG2 XLE B 55 -13,703 24,971 13,010 1.00 0.00 B ATCMO 3592 2BG2 ILB B S5 -14,181 23,491 13,855 1.00 0.00 B ÁTOMO 3593 3BG2 ILE B 55 -15,169 24,966 14,004 1.00 0.00 a ATOMO 3594 1HD1 XLE B 55 -12,528 28,384 14,547 1.00 0.00 8 ATOMO 3595 2HD1 XLE B 55 -11,433 26,989 14,474 1.00 0.00 a ATCMO 3596 3BD1 XLE B 55 -12.805 27.104 13.349 1.00 0.00 B ÁTOMO 3597 N VAL B 56 -11.988 23.964 17.855 1.00 0.10 N ATCMO 3598 C? VAL B 56 -11,128 24,307 18,942 1.00 0.10 c ? TOMO 3599 c VAL B 56 -9.803 24.597 18.333 1.00 0.10 c? TCMO 3600 or VAL B 56 -9.483 24.091 17.259 1.00 0.10 or ATOMO 3601 CB VAL B 56 -10,938 23,177 19,914 1.00 0.10 c ATOMO 3602 CGl VAL B 56 -9,887 23,579 20,962 1.00 0.10 c ATOM 3603 CG2 VAL B 56 -12,308 22,813 20,510 1.00 0.10 c ATOMO 3604 H VAL B 56 -11,643 23,243 17,244 1.00 0.00 B ATOMO 3605 H? VAL B 56 -11,486 25,247 19,322 1.00 0.00 B ATOMO 3606 BB VAL B 56 -10.550 22.293 19.374 1.00 0.00 B ÁTOMO 3607 1HG1 VAL B 56 -10,078 23,069 21,922 1.00 0.00 a ? TOMO 3608 2HG1 VAL B 56 -8,900 23,203 20,639 1.00 0.00 8 ? TOMO 3609 3BG1 VAL B 56 -9,712 24,626 21,212 1.00 0.00 8 ? TOMO 3610 1HG2 VAL B 56 -12.215 22.112 21.356 1.00 0.00 8 ATCMO 3611 2HG2 VAL B 56 -12,874 23,684 20,866 1.00 0.00 a ? TOMO 3612 3BG2 VAL B 56 -12.944 22.313 19.759 1.00 0.00 a ATCMO 3613 N ASN B 57 -9,004 25,433 19,021 1.00 0.11 N? TCMO 3614 C? ? SH B 57 -7.708 25.802 18.547 1.00 0.11 c? TCMO 3615 c ASN B 57 * -7.819 26.25S 17.129 1.00 0.11 c ATCMO 3616 0? SN B 57 -7,234 25,657 16,227 1.00 0.11 0 ÁTOMO 3617 CB ASN B 57 -6,662 24,678 18,634 1.00 0.11 c ATOM 3618 CG ASN B 57 -5,291 25,321 18,470 1.00 0.11 c ATOM 3619 OD1? SN B 57 -5,099 26,203 17,634 1.00 0.11 or ATCMO 3620 ND2 ASN B 57 -4,310 24,880 19,303 1.00 0.11 ATOMO 3621 B? SN B 57 -9,361 25,917 19,839 1.00 0.00 ATOM 3622 B? ASH B 57 -7,598 26,672 19.108 1.00 0.00 H ÁTOMO 3623 1BB? SN B 57 -6.807 23.906 17.861 1.00 0.00 H ? TOMO 3624 2HB? SH B 57 -6.743 24,176 19,613 1.00 0.00 fl ATOMUM 3625 1BD2? SH B 57 -4,557 24,208 20,013 1.00 0.00 H ÁTOMO 3626 2HD2 ASN B 57 -3,547 25,508 19,482 1.00 0.00 H ATOMO 3627 H ALA B 58 -8,603 27,326 16,895 1.00 0.21 N ATOM 3628 C? ALA B 58 -8,722 27,819 15,556 1.00 0.21 C ATOMO 3629 C ALA B 58 -7,341 28,174 15,120 1.00 0.21 c ATOMO 3630 OR ALA B 58 -6,578 28,782 15,870 1.00 0.21 b ATOM 3631 CB AL? B 58 -9,596 29,081 15,430 1.00 0.21 c ÁTOMO 3632 fl? LA B 58 -9,197 27,733 17,613 1.00 0.00 H ATOM .3633 H? ALA B 58 -9,154 26,967 15,035 1.00 0.00 H ÁTOMO 3634 1HB ALA B 58 -9.729 29.336 14.369 1.00 0.00 H ? TOMO 3635 2HB WING B 58 -10.589 28.921 15.874 1.00 0.00 H ÁTOMO 3636 3BB ALA B 58 -9,118 29,932 15,936 1.00 0.00 H ATOMUM 3637 H LYS B 59 -6,977 27.771 13.889 1.00 0.31 N ATOM 3638 C? LYS B 59 -5,653 28,014 13,401 1.00 0.31 C ATCMO 3639 c LYS B 59 -5,671 29,201 12,498 1.00 0.31 c ATOM 3640 or LYS B 59 -6,710 29,812 12,255 1.00 0.31 b ATOM 3641 CB LYS B 59 -5,066 26,841 12,597 1.00 0.31 c TCMO 3642 CG LYS B 59 -4,819 25,592 13.44S 1.00 0.31 c ? TOMO 3643 CD LYS B 59 -3,812 25,804 14,579 1.00 0.31 c ATCMO 3644 CE LYS B 59 -3.593 24.558 15.443 1.00 0.31 c ATOMO 3645 HE LYS B 59 -2,607 24,846 16,509 1.00 0.31 N1 + ATOMO 3646 H LYS B 59 -7,667 27,320 13,284 1.00 0.00 H ? TOMO 3647 B? LYS B 59 -4,994 28,273 14,243 1.00 0.00 H ATOM 3648 1BB LYS B 59 -4,188 27,087 11,986 1.00 0.00 H ATCMO 3649 2HB LYS B 59 -5,917 26,508 11,995 1.00 0.00 fl ATOMUM 3650 1HG LYS B 59 -4,449 24,763 12,824 1.00 0.00 μ ? TOMO 36S1 2HG LYS B 59 -5.784 2S.249 13.863 1.00 0.00 H? TCMO 3652 IHD LYS B 59 -4.154 26.623 15.231 1.00 0.00 H? VOLUME 3653 2BD LYS B 59 -2.851 26,124 14,138 1.00 0.00 H? VOLUME 3654 lflE LYS B 59 -3.202 23.717 14.846 1.00 0.00 H? VOLUME 3655 2BE LYS B 59 -4.527 24.225 15.925 1.00 0.00 H VOLUME 3656 1BZ LYS B 59 -2,435 24,037 17,091 1.00 0.00 H ÁTOMO 3657 2HZ LYS B 59 -1,719 25,149 16,136 1.00 0.00 H ÁTOMO 3658 3HZ LYS B 59 -2,973 25,567 17,120 1.00 0.00 H ? TOMO 3659 N PHE B 60 -4,477 29,552 11,983 1.00 0.23 N ? TOMO 3660 C? PHE B 60 -4,318 30,638 11,063 1.00 0.23 c ? TOMO 3661 c PHE B 60 -5,095 30,287 9,839 1.00 0.23 c ? TCMO 3662 or PBS B 60 -5.704 31,140 9.197 1.00 0.23? VOLUME 3663 CB PHE B 60 -2,858 30,850 10,632 1.00 0.23 c? VOLUME 3664 CG PBE B 60 -2,873 31,832 9,510 1,00 0.23 c? TCMO 3665 CDl FBE B 60 -2,961 33,184 9.748 1.00 0.23 c ATCMO 3666 CD2 FBE B 60 -2,798 31,391 8,208 1.00 0.23 C ' ATOM 3667 CEI PHB B 60 -2,977 34,079 8.705 1.00 0.23 c ATOMUM 3668 CE2 PHE B 60 -2,813 32,282 7,161 1.00 0.23 c? TCMO 3669 CZ PHB B 60 -2,902 33,630 7,409 1.00 0.23 c? VOLUME 3670 B FBE B 60 -3,633 29,102 12,295 1.00 0.00 H ATOM 3671 B? PHE B 60 -4,520 31,613 11,406 1.00 0.00 H ÁTOMO 3672 1HB PBE B 60 -2,378 29,909 10,321 1.00 0.00 H ATOMUM 3673 2HB PBE B 60 -2,278 31,227 11,490 1.00 0.00 H ÁTOMO 3674 HDl PHB B 60 -3,027 33,553 10,769 1.00 0.00 H ? TOMO 3675 HD2 PBE B 60 • 12,735 30,326 7,999 1.00 0.00 H ATCMO 3676 BEI PHB B 60 -3,056 35,145 8,908 1.00 0.00 ÁTOMO 3677 BE2 PBE B 60 -2,763 31,919 6,138 1.00 0.00 H « ATOMO 3678 BZ PHE B 60 -2,922 34,338 6,584 1.00 0.00 H ÁTOMO 3679 N GLU B 61 -5,095 28,987 9,508 1.00 0.15 N ATOMO 3680 C? GLU B 61 -5,748 28,446 8,354 1.00 0.15 C ATOMO 3681 c GLU'B 61 -7,218 28,714 8,459 1.00 0.15 C ? TOMO 3682 or GLU B 61 -7,869 28,938 7,454 1.00 0.15 O ATOMO 3683 CB GLO B 61 -5,528 26,930 8.259 1.00 0.15 c ATOMO 3684 CG GLU B 61 -5,975 26,190 9,522 1.00 0.15 c? VOLUME 3685 CD GLO B 61.-5,349 24,803 9,510 1.00 0.15 cl? TCMO 3686 O GLU B 61 -5,260 24,199 8,408 1.00 0.15 o¡ ATOMO 3687 OE2 GLU B 61 -4,938 24,333 10,605 1.00 0.15 Ol-? TCMO 3688 H GLU B 61 -4,636 28,314 10,097 1.00 0.00 H? TCMO 3689 H? GLU B 61 -5,382 28,950 7,445 1.00 0.00 H? TCMO 3690 1BB GLO B 61 -4,456 26,737 8,074 1.00 0.00 H? VOLUME 3691 2BB GLU B 61 -6,074 26,577 7,366 1.00 0.00 H ÁTOMO 3692 1HG GLU B 61 -7,066 26,116 9,599 1.00 0.00 fl ÁTOMO 36932HG GLU B 61 -5,569 26,768 10,323 1.00 0.00 H ÁTOMO 3694 N? SP B 62 -7.751 28.719 9.694 1.00 0.16 N ATOMO 3695 C? ASP B 62 -9,160 28,869 9,932 1.00 0.16 C ATOMO 3696 c ASF B 62 -9,664 30,184 9,421 1.00 0.16 c ATOMUM 3697 or? SP B 62 -10,828 30,280 9,041 1.00 0.16 b ATOMO 3698 CB ASP B 62 -9,539 28,746 11,419 1.00 0.16 c ATCMO 3699 CG ASP B 62 -9.413 27.276 11.797 1.00 0.16 c ATOMO 3700 OD1? SP B 62 -9,136 26,454 10,883 1.00 0.16 b ATOMO 3701 OD2 ASP B 62 -9,605 26,952 13,000 1.00 0.16 01 ÁTOMO 3702 H ASP B 62 -7,202 28,495 10,507 1.00 0.00 k ATCMO 3703 HA ASP B 62 -9,712 28,115 9,343 1.00 0.00 k ? TOMO 3704 1HB ASP B 62 -10,604 29,018 11,527 1.00 0.00 k ÁTOMO 3705 2HB? SP B 62 -9,012 29,421 12,095 1.00 0.00 k ÁTOMO 3706 H SER B 63 -8,832 31,244 9,415 1.00 0.20 N ATOMO 3707 C? BE B 63 -9.308 32,524 8.962 1.00 0.20 C TCMO 3708 C SER B 63 -9,869 32,382 7,579 1.00 0.20 fc ATCMO 3709 OR SER B 63 -9.321 31.677 6.734 1.00 0.20 b TCMO 3710 CB SER B 63 -8.213 33.604 8.921 1.00 0.20 fc ATOMO 3711 OG SER B 63 -7.222 33.25S 7.966 1.00 0.20 b ÁTOMO 3712 H SER B 63 -7.856 31,085 9.622 1.00 0.00 H ? TOMO 3713 H? SER B 63 -10,093 32,837 9.673 1.00 0.00 k ? TCMO 3714 1HB SER B 63 -7.772 33.760 9.916 1.00 0.00 a ÁTOMO 3715 2HB SER B 63 -8,648 34,553 8,584 1.00 0.00 B ATOMO 3716 BG SER B 63 -6.730 32.485 8.307 1.00 0.00 B ÁTOMO 3717 H GLY B 64 -11,016 33,050 7,328 1.00 0.22 N ATCMO 3718 C? GLY B 64 -11,651 32,974 6,044 1.00 0.22 c ÁTOMO 3719 C GLY B 64 -13,081 33,365 6.233 1.00 0.22 c ATOMUM 3720 OR GLY B 64 -13,461 33,869 7,288 1.00 0.22 b TCMO 3721 H GLY B 64 -11,410 33,693 8,006 1.00 0.00 k TCMO 3722 IBA GLY B 64 -11,495 32,015 5,554 1.00 0.00 k ATCMO 3723 2BA GLY B 64 -11,200 33,716 5,359 1.00 0.00 a ÁTOMO 3724 H GLU B 65 -13,918 33,138 5,199 1.00 0.19 N ? TOMO 3725 C? GLO B 65 -15.307 33.483 5.302 1.00 0.19 c ? TOMO 3726 c GLU B 65 -16,074 32,222 5,515 1.00 0.19 c ATOMO 3727 or GLU B 65 -15,711 31,164 5,000 1.00 0.19 or ÁTOMO 3728 CB GLU B 65 -1S.910 34.122 4.040 1.00 0.19 fc TCMO 3729 CG GLU B 65 -15,403 35,529 3,730 1.00 0.19 c ÁTOMO 3730 CD GLU B 65 -16,200 36,045 2,539 1.00 0.19 c ATOMO 3731 OBI GLU B 65 -16,409 35,260 1,575 1.00 0.19 b ATCMO 3732 OB2 GLU B 65 -16.625 37.231 2.584 1.00 0.19 bl- ATCMO 3733 B GLU B 65 -13.592 32.750 4.322 1.00 0.00 k? TCMO 3734 B? GLU B 65 -15,418 34,200 6,112 1.00 0.00 k? VOLUME 3735 1BB GLU B 65 -16,996 34,170 4,211 1.00 0.00 B? VOLUME 3736 2BB GLU B 65 -15,743 33,449 3,182 1.00 0.00 a ÁTOMO 3737 1HG CLU B 65 -14,334 35,505 3,473 1.00 0.00 H ATOMO 3738 2BG GLU B 65 -15,576 36,196 4,587 1.00 0.00 k ATOMO 3739 H TYR B 66 -17.164 32.306 6.304 1.00 0.22 N ATOMO 3740 C? TYR B 66 -17.970 31.148 6.549 1.00 0.22 c ATOM 3741 C TYR B 66 -19,342 31,425 6,020 1.00 0.22 c ATOMO 3742 0 TYR B 66 -19,839 32,548 6.099 1.00 0.22 p ATOMO 3743 CB TYR B 66 -18,124 30.795 8.040 1.00 0.22 c ATOM 3744 CG TYR B 66 -16,782 30,418 8,567 1.00 0.22 c ATOM 3745 CDl TYR B 66 -15,918 31,384 9,033 1.00 0.22 c ATOM 3746 CD2 TYR B 66 -16,382 29.102 8.592 1.00 0.22 c ATCMO 3747 CEI TYR B 66 -14,679 31,041 9,522 1.00 0.22 c ATOM 3748 CB2 TYR B 66 -15,144 28,752 9,078 1.00 0.22 c ÁTOMO 3749 CZ TYR B 66 -14.291 29.723 9.544 1.00 0.22 c ÁTOMO 3750 OH TYR B 66 -13,021 29,367 10,044 1.00 0.22 b ÁTOMO 3751 H TYR B 66 -17,342 33,146 6,847 1.00 0.00 k ATCMO 3752 B? TYR'B 66 -17.532 30.275 6.047 1.00 0.00 B ATOMO 3753 1BB TYR B 66 -18.806 29.929 8.084 1.00 0.00 H; ÁTOMO 3754 2BB TYR B 66 -18,599 31,552 8,651 1.00 0.00 B ÁTOMO 3755 HDl TYR B 66 -16.191 32.433 9.006 1.00 0.00 8 ATOM 3756 HD2 TYR B 66 -17,046 28,325 8.221 1.00 0.00 H ATOM 3757 HE1 TYR B 66 '-13,997 31,799 9,847 1.00 0.00 H ATOM 3758 HB2 TYR B 66 -14,837 27.708 9,090 1.00 0.00 B ÁTOMO 3759 HH TYR B 66 -12,338 29,749 9,466 1.00 0.00 fl ATCMO 3760 H LYS B 67 -19.979 30,391 5.440 1.00 0.45 N ATOM 3761 C? LYS B 67 -21.299 30.533 4.900 1.00 0.45 C ATOMO 3762 C LYS B 67 -22,038 29,279 5,238 1.00 0.45 fc? TCMO 3763 OR LYS B 67 -21,429 28,239 5,482 1.00 0.45 b ATOMUM 3764 CB LYS B 67 -21,302 30,655 3,371 1.00 0.45 c TCMO 3765 CG LYS B 67 -20,591 31,913 2,871 1.00 0.45 c ATOMO 3766 CD LYS B 67 -20,205 31,847 1,394 1.00 0.45 c ATCMO 3767 CB LYS B 67 -18.982 30,964 1.129 1.00 0.45 c ? TOMO 3768 HZ LYS B 67 -17,786 31,563 1,761 1.00 0.45 H1 + ATCMO 3769 H LYS B 67 -19,578 29,462 5.412 1.00 0.00 a ATOM 3770 H? LYS B 67 -21,802 31,400 5,361 1.00 0.00 B ATOMO 3771 1BB LYS B 67 -22,349 30,675 3,016 1.00 0.00 B ÁTOMO 3772 2BB LYS B 67 -20.856 29.741 2.952 1.00 0.00 a ÁTOMO 3773 1BG LYS B 67 -19,696 32,152 3,468 1.00 0.00 a ÁTONO 3774 2BG LYS B 67 -21.325 32.705 3.088 1.00 0.00 a TCMO .3775 ÍHD LYS B 67 -19,999 32,836 0.954 1.00 0.00 B ? TOMO 3776 2HD LYS B 67 -21,053 31,439 0.812 1.00 0.00 a TCMO 3777 1HB LYS B 67 -IB.775 30.B85 0.049 1.00 0.00 a ÁTOMO 377B 2BE LYS B 67 -19,097 29,947 1,529 1.00 0.00 a ÁTOMO 3779 1HZ LYS B 67 -16.926 31.112 1.480 1.00 0.00 a TCMO 3780 2HZ LYS B 67 -17,675 32,541 1,507 1.00 0.00 a ? TOMO 37813BZ LYS B 67 -17.826 31.529 2.772 1.00 0.00 B TCMO 3782 H CYS B 6B -23,383 29,354 5,281 1.00 0.52 N ATOM 3783 C? CYS B 68 -24,163 28,196 5,606 1.00 0.52 C ATOM 3784 c CYS B 68 -25,428 28,222 4,811 1.00 0.52 c? TCMO 3785 or CYS B 6B -25,970 29,288 4,524 1.00 0.52 0 ÁTOMO 3786 CB CYS B 68 -24,621 28,179 7,065 1.00 0.52 c ? TOMO 3787 SG CYS B 68 -25.956 26,981 7.311 1.00 0.52 s ÁTOMO 3788 B CYS B 68 -23,896 30,171 5,002 1.00 0.00 B ATOMO 3789 B? CYS B 68 -23,591 27,287 5,374 1.00 0.00 B ? TOMO 3790 1BB CYS B 68 -24,992 29,178 7,349 1.00 0.00 B ÁTOMO 3791 2BB CYS B 68 -23,803 27,921 7.723 1.00 0.00 B ATOMUM 3792 H GLN B 69 -25,931 27,034 4,420 1.00 0.27 H ATOM 3793 C? GLN B 69 -27.206 27.001 3.771 1.00 0.27 C ÁTOMO 3794 c GLN B 69 -27,926 25,780 4,234 1.00 0.27 μ ATOM 3795 0 GLN B 69 -27,323 24,828 4,727 1.00 0.27 or ÁTOMO 3796 CB GLN B 69 -27,150 26,927 2,237 1.00 0.27 c ATCMO 3797 CG GLN B 69 -26,530 25,639 1,700 1.00 0.27 c ÁTOMO 3798 CD GLN B 69 -26,687 25,656 0.186 1.00 0.27 c ATOM 3799 OBI GLN B 69 -27,435 26,466 -0,360 1.00 0.27 or TCMO 3800 HS2 GLN B 69 -25.967 24.736 -0.511 1.00 0.27 H ÁTOMO 3801 fl GLN B 69 -25,524 26,151 4,696 1.00 0.00 B? TCMO 3802 B? GLN B 69 -27,798 27,874 4,081 1.00 0.00 a ÁTOMO 3803 1BB GLN B 69 -26,598 27,802 1,859 1.00 0.00 a ATOMO 3804 2HB GLN B 69 -28,189 27,025 1,876 1.00 0.00 8 ÁTOMO 3805 1BG GLN B 69 -27.185 24.BSS 2.029 1.00 0.00 a ATOMO 3806 2HG GLN B 69 -25,497 25,492 2,036 1.00 0.00 a TCMO 3807 1BE2 GLN B 69 -25,235 24,219 -0.068 1.00 0.00 a ? TCMO 3808 2BE2 GLN B 69 -25,927 24,943 -1,496 1.00 0.00 a ATCMO 3809 H HIS B 70 -29,263 25,803 4,102 1.00 0.11 H ATCMO 3810 C? BXS B 70 -30,076 24,678 4,443 1.00 0.11 C - ATCMO 3811 c BIS B 70 -30,899 24,396 3,237 1.00 0.11 c ÁTOMO 3812 0 HXS B 70 -30,877 25,150 2,267 1.00 0.11 0 ATOMO 3813 CB BXS B 70 -31,043 24,920 5,612 1.00 0.11 c ATCMO 3814 CG BIS B 70 -30,339 24,997 6,930 1.00 0.11 c ATCMO 3815 HDl BIS B 70 -29.937 23.891 7.646 1.00 0.11 H ATCMO 3816 CD2 BXS B 70 -29,953 26,075 7,664 1.00 0.11 c ATOMO 3817 CEI BIS B -70 -29,331 24,351 8,768 1.00 0.11 c ATOMO 3818 HE2 BXS B 70 -29,316 25,671 8,824 1.00 0.11 H ATCMO 3819 B BXS B 70 -29,699 26,490 3,501 1.00 0.00 H ? TOMO 3820 H? BXS B 70 -29,447 23,799 4,660 1.00 0.00 B ATCMO 3821 1BB BXS B 70 -31,766 24,089 5,657 1.00 0.00 B ATCMO 3822 2HB BXS B 70 -31,637 25,829 5.471 1.00 0.00 B ÁTOMO 3823 HD2 ais' B 70 -30,099 27.123 7.447 1.00 0.00 a ÁTOMO 3824 BEI BXS B 70 -29,020 23,707 9,580 1.00 0.00 a ÁTOMO 3825 BS2 BIS B 70 -29,018 26,241 9,593 1.00 0.00 a ÁTOMO 3826 N GLN B 71 -31,625 23,266 3,251 1.00 0.12 N ATOMO 3827 C? GLN B 71.-32,441 22.954 2.121 1.00 0.12 c ? TCMO 3828 C GLN B 71 -33,468 24,032 2,009 1.00 0.12 c.

ATOMO 3829 OR GLN B 71 -33,753 24,525 0.920 1.00 0.12 b ÁTOMO 3830 CB GLN B 71 -33,197 21,623 2,276 1.00 0.12 c ATOMO 3831 CG GLN B 71 -32,304 20,379 2,279 1.00 0.12 c TCMO 3832 CD GLN B 71 -31,895 20,083 0.843 1.00 0.12 c ATCMO 3833 O GLN B 71 -32.123 20.BBS -0.063 1.00 0.12 or TCMO 3834 HE2 GLN B 71 -31,272 18,896 0.623 1.00 0.12 N [? TCMO 3835 R GLN B 71 -31,669 22,648 4,050 1.00 0.00 H? VOLUME 3836 H? GLN B 71 -31,834 22,977 1,204 1.00 0.00 H ATCMO 3837 1HB GLN B 71 -33,962 21,545 1,481 1.00 0.00 H ATOMO 3838 2HB GLN B 71 -33,758 21,654 3,225 1.00 0.00 fl ÁTOMO 3839 1BG GLN B 71 -32,874 19,519 2,668 1.00 0.00 H ÁTOMO 3840 2HG GLN B 71 -31,411 20,534 2,901 1.00 0.00 H ATOMO 3841 1HE2 GLN B 71 -31,125 18,252 1,392 1.00 0.00 H ATCMO 3842 2HB2 GLN B 71 -31,056 18,634 -0.322 1.00 0.00 H ÁTOMO 3843 N GLN B 72 -34,046 24,426 3,157 1.00 0.21 N ATCMO 3844 C? GLN B 72 -35,117 25,377 3,188 1.00 0.21 C ÁTOMO 3845 c GLN B 72 -34,660 26.737 2.761 1.00 0.21 c ÁTOMO 3846 or GLN B 72 -35,308 27,383 1,940 1.00 0.21 or ÁTOMO 3847 CB GLN B 72 -35,698 25,546 4,602 1.00 0.21 c ÁTOMO 3848 CG GLN B 72 -36,104 24,222 5,252 1.00 0.21 c ATCMO 3849 CD GLN B 72 -37,057 23,494 4,316 1.00 0.21 c ATOMO 3850 OBI GLN B 72 -37,630 24,082 3,400 1.00 0.21 O ATOMO 3851 NB2 GLN B 72 -37,224 22,165 4,547 1.00 0.21 H ATOMO 3852 H GLN B 72 -33,776 24,011 4,029 1.00 0.00 H ATOMO 3853 B? GLN B 72 -35,857 25,085 2,433 1.00 0.00 H TCMO 3854 1HB GLN B 72 -36.568 26.218 4.507 1.00 0.00 H ? TOMO 3855 2KB GLN B 72 -34.952 26,056 5.225 1.00 0.00 k TCMO 3856 1BG GLN B 72 -36,614 24,285 6.211 1.00 0.00 H ÁTOMO 3857 2BG GLN B 72 -35.212 23.596 5.418 1.00 0.00 B ÁTOMO 3858 1HS2 GLN B 72 -36,791 21,725 5,340 1.00 0.00 fl TCMO 3859 2HE2 GLN B 72 -37,890 21,689 3,966 1.00 0.00 H ÁTOMO 3860 H VAL B 73 -33,516 27,206 3,298 1.00 0.31 N ATCMO 3861 C? VAL B 73 -33,130 28,569 3,072 1.00 0.31 C ATOMO 3862 c VAL B 73 -32,145 28,702 1,959 1.00 0.31 μ ÁTOMO 3863 or VAL B 73 -31,658 27,727 1,388 1.00 0.31 b ÁTOMO 3864 CB VAL B 73 -32,521 29,216 4,283 1.00 0.31 c ATOMO 3865 CGl VAL B 73 -33,583 29,264 5,395 1.00 0.31 c ÁTOMO 3866 CG2 VAL B 73 -31,247 28,442 4,666 1.00 0.31 c ATOMO 3867 H VAL B 73 -32,902 26,625 3,835 1.00 0.00 H ATOM 3868 H? VAL B 73 -34,032 29,136 2,786 1.00 0.00 fl ATOMO 3869 HB VAL B 73 -32,166 30,225 4,101 1.00 0.00 fl ATCMO 3870 1HG1 VAL B 73 -33,219 29,820 6.275 1.00 0.00 k ATOMO 3871 2BG1 VAL B 73 -34,505 29.762 5.053 1.00 0.00 B ÁTOMO 3872 3BG1 VAL B 73 -33,855 28,254 5,740 1.00 0.00 k ATCMO 3873 1BG2 VAL B 73 -31,260 28,169 5,729 1.00 0.00 H ÁTOMO 3874 2BG2 VAL B 73 -31,174 27,490 4,129 1.00 0.00 H ÁTOMO 3875 3HG2 VAL B 73 -30,331 28,965 4.407 1.00 0.00 H ÁTOMO 3876 N ASN B 74 -31,857 29,979 1,634 1.00 0.41 N TCMO 3877 C? ASN B 74 -30.932 30.413 0.630 1.00 0.41 C ÁTOMO 3878 c ASN B 74 -29,580 30,362 1,270 1.00 0.41 c ATOMO 3879 or ASN B 74 -29,409 29.751 2.322 1.00 0.41 OR ATOMO 3880 CB? SN B 74 -31,202 31,869 0.200 1.00 0.41 c ATOMO 3881 CG? SN B 74 -30,458 32,179 -1,090 1.00 0.41 Cj ATOMO 3882 OD1? SN B 74 -29,812 31,313 -1,676 1.00 0.41 ATOM 3883 HD2? SN B 74 -30,542 33,459 -1,542 1.00 0.41 N ÁTOMO 3884 8? SN B 74 -32,331 30,717 2,145 1.00 0.00 H ATOM 3885 H? ASN B 74 -30.976 29.713 -0.222 1.00 0.00 H ÁTOMO 3886 1HB ASN B 74 -30.921 32.561 1.004 1.00 0.00 H TCMO 3887 2KB ASN B 74 -32.278 32.002 -0.003 1.00 0.00 H ATOMO 3888 1HD2 ASN B 74 -30,976 34,179 -0,997 1.00 0.00 8 ATOMO 3889 2HD2? SH B 74 -29,971 33,687 -2,339 1.00 0.00 H ÁTOMO 3890 H GLO B 75 -28.567 30.970 0.622 1.00 0.48 N ATOM 3891 C? GLO B 75 -27,249 31,003 1,180 1.00 0.48 c ÁTOMO 3892 c GLO B 75 -27,241 32,069 2,228 1.00 0.48 c ATOMO 3893 or GLO B 75 -27.925 33.085 2.100 1.00 0.48 or ÁTOMO 3894 CB GLO'B 75 -26,170 31,366 0.145 1.00 0.48 c ÁTOMO 389S CG GLU B 75 -26,047 30,340 -0,982 1.00 0.48 c ATOMO 3896 CD GLU B 75 -25.367 29.103 -0.418 1.00 0.48 c ATOMO 3897 OEl GLU B 75 -24,699 29,229 0.643 1.00 0.48 b ATOMO 3898 OE2 GLU B 75 -25,503 28,015 -1,039 1.00 0.48 01 ATOMO 3899 H GLU B 75 -28,657 31,252 -0,347 1.00 0.00 ATOM 3900 H? GLO B 75 -27,017 30,019 1,621 1.00 0.00 H H ATCMO 3901 1HB GLU B 75 -25.207 31,519 0.665 1.00 0.00 H ÁTOMO 3902 2HB GLU B 75 -26,423 32,357 -0,272 1.00 0.00 H ATCMO 3903 1HG GLU B 75 -25.416 30.732 -1.797 1.00 0.00 H ATCMO 3904 2HG GLO B 75 -27,009 30,079 -1,450 1.00 0.00 H TCMO 3905 H SER B 76 -26,469 31,848 3,309 1.00 0.42 N ATOMO 3906 C? SER B 76 -26,382 32,800 4,377 1.00 0.42 c ATOM 3907 C SER B 76 -25,336 33,802 4,009 1.00 0.42 c? TCMO 3908 OR SER B 76 -24,507 33,553 3,136 1.00 0.42 b ATOMUS 3909 CB SER B 76 -25,956 32,162 5,710 1.00 0.42 c ÁTOMO 3910 OG SER B 76 -25,873 33,153 6.720 1.00 0.42 b ATOMO 3911 B SER B 76 -26,027 30,945 3,444 1.00 0.00 k ATCMO 3912 H? SER B 76 -27,347 33,318 4,497 1.00 0.00 k ATOM 3913 1BB SER B 76 -24,918 31,818 5,529 1.00 0.00 k? TCMO 3914 2BB SER B 76 -26,368 31,266 6,179 1.00 0.00 H? TCMO 3915 HG SER B 76 -25,076 33,682 6,522 1.00 0.00 H TCMO 3916 H GLU B 77 -25,365 34,985 4,660 1.00 0.31 N ATCMO 3917 CA GLU B 77 -24,357 35,963 4,380 1.00 0.31 C ÁTOMO 3918 C GXU B 77 -23,106 35,440 4,998 1.00 0.31 C ATOM 3919 OR GLU B 77 -23,138 34,721 5,994 1.00 0.31 or ATCMO 3920 CB GLU B 77 -24,596 37,339 5,023 1.00 0.31 C ATOMO 3921 CG GLO B 77 -25,878 38,032 4,571 1.00 0.31 c ATOMIO 3922 CD GLU B 77 -26,987 37,538 5,483 1.00 0.31 c ATOMO 3923 OEl GLO B 77 -26,707 37,359 6,699 1.00 0.31 b ATOMO 3924 OE2 GLU B 77 -28,123 37,331 4,981 1.00 0.31 bi¬ ATOMO 3925 B GLU B 77 -26,107 35,274 5,290 1.00 0.00 l ÁTOMO 3926 BA GLU B 77 -24,351 36,141 3,293 1.00 0.00 a ÁTOMO 3927 1HB GLU B 77 -23,730 37,950 4,704 1.00 0.00 H ATOMO 3928 2BB GLU B 77 -24.496 37.287 6.121 1.00 0.00 H ÁTOMO 3929 1HG GLU B 77 -26,103 37,866 3,506 1.00 0.00 H ATCMO 3930 2BG GLO B 77 -25,778 39,121 4,715 1.00 0.00 H AT ATTCCMMOO 3 3993311 N H P PRROO B B 7 788 - 2222..000044 3 355..777722 4 4..339988 1 1..0000 0 0..2299 H A -T-O-M- -O 3932 C -? - P -R-O - B - -78- -20,764 3 - 5,287 4 -.9 -3-2- 1 -.0-0- 0-.2-9- c ATOM 3933 c PRO B 78 -20,323 36,023 6,154 1.00 0.29 C ATOMO 3934 0 PRO B 78 -20,684 37,187 6,323 1.00 0.29 b ATOMO 3935 CB PRO B 78 -19,756 35,357 3,788 1.00 0.29 c ATOM 3936 CG PRO B 78 -20,627 35,223 2,527 1.00 0.29 c ATOM 3937 CD PRO B 78 -21,979 35,824 2,944 1.00 0.29 c ATOMO 3938 B? PRO B 78 -20.930 34.229 5.154 1.00 0.00 k ÁTOMO 3939 1HB PRO B 78 -18.975 34.595 3.881 1.00 0.00 H ÁTOMO 3940 2HB PRO B 78 -19,253 36,340 3,777 1.00 0.00 k ÁTOMO 3941 1HG PRO B 78 -20,743 34,219 2.15S 1.00 0.00? VOLUME 3942 286 PRO B 78 -20,192 35,781 1,679 1.00 0.00 B ? TOMO 3943 ÍHD PRO B 78 -22,062 36,874 2,622 1.00 0.00 H ATOMO 3944 2HD PRO B 78 -22,791 35,253 2,482 1.00 0.00 B C / 7 7..002222 1 1..0000 0 0..3311 N I * J or 8. * 1? ß8 * 7 * f i 1. n0n0 n 0.3 - »t1 ATOMO 3947 C VAL B 79 -17,507 35,760 8,006 1.00 0.31 c ATOMO 3948 or VAL B 79 -17,055 34,693 7,593 1.00 0.31 or ATOMO 3949 CB VAL B 79 -19,362 35,248 9,465 1.00 0.31 c ÁTOMO 3950 CGl VAL B 79 -18.925 33.776 9.386 1.00 0.31 c ATOMO 3951 CG2 VAL B 79 -18,732 36,018 10,638 1.00 0.31 c ÁTOMO 3952 8 VAL B 79 -19,361 34,360 6,860 1.00 0.00 fl ATOM 3953 B? VAL B 79 -19,257 36,997 8,216 1.00 0.00 H ÁTOMO 3954 HB VAL B 79 -20,462 35,289 9,567 1.00 0.00 H ATCMO 3955 1HG1 VAL B 79 -19,391 33,205 10,210 1.00 0.00 R ATCMO 3956 2BG1 VAL B 79 -19,283 33,319 8,460 1.00 0.00 H ÁTOMO 3957 3HG1 VAL B 79 -17,846 33,643 9,523 1.00 0.00 H ÁTOMO 3958 1HG2 VAL B 79 -19,088 35,629 11,607 1.00 0.00 H ATOMO 3959 2BG2 26 10.652 1.00 0.00 0 VAL B 79 -17.634 35.9 B ÁTOMO 3960 3BG2 VAL B 79 -18,990 37,090 10,606 1.00 0.00 H? TCMO 3961 N TYR B 80 -16,709 36,805 8,294 1.00 0.19 H? VOLUME 3962 C? TYR B 80 -15,305 36,638 8,067 1.00 0.19 TOMO 3963 c TYR a 80 -14,649 36,465 9,394 1.00 0.19 C ATOM 3964 or TYR B 80 -14,925 37,197 10,343 1.00 0.19 P ? TOMO 3965 CB TYR 'B 80 -14,628 37,826 7.3S9 1.00 0.19 ATOM 3966 CG TYR B 80 -13,244 37,390 7,018 1.00 0.19 c ATOMO 3967 CDl TYR B 80 -12,214 37,522 7,921 1.00 0.19 ATOM 3968 CD2 TYR B 80 -12,983 36,837 5,785 1.00 0.19 ATCMO 3969 CEI TYR B 80 -10,942 37,112 7,597 1.00 0.19 ATOM 3970 CE2 TYR B 80 '-11,714 36,425 5,454 1.00 0.19 ATOM 3971 CZ TYR B 80 -10,692 36,565 6,360 1.00 0.19? VOLUME 3972 OB TYR B 80 -9,387 36,143 6,025 1.00 0.19? TCMO 3973 B TYR B 80 -17,008 37,682 8,682 1.00 0.00 5 Á ÁTTOOMMOO 3 3997744 HB? AT TYRR BB 8 800 - -1155..113333 3 355..777766 7 7..441155? 1.0000 0 0..0000 ATOMO 3975 1BB TYR B 80 -14,633 38,725 7,994 1.00 0.00 H ATOMO 3976 2HB TYR B 80 -15,197 38,081 6,450 1.00 0.00 B ATOMO 3977 HDl TYR B 80 -12,423 37,965 8,890 1.00 0.00 B ATCMO 3978 HD2 TYR B 80 -13,756 36,817 5,036 1.00 0.00 k? TCMO 3979 BEI TYR B 80 -10,137 37,169 8,309 1.00 0.00 H ATCMO 3980 BE2 TYR B 80 -11,519 36,016 4,465 1.00 0.00 H ATOMO 3981 HH TYR B 80 -8.978 35.822 6.837 1.00 0.00 a TCMO 3982 H LEU B 81 -13,760 35,460 9,490 1.00 0.08 N ATOM 3983 C? LEU B 81 -13,094 35,195 10,729 1.00 0.08 c ÁTOMO 3984 c LEU B 81 -11,635 35,443 10,529 1.00 0.08 c ATOMO 3985 0 LEU B 81 -11,076 35,109 9,485 1.00 0.08 0 ATOMO 3986 CB LEU B 81 -13,250 33,736 11,191 1.00 0.08 c ATOM 3987 CG LEU B 81 -12,542 33,429 12,522 1.00 0.08 c ATOM 3988 CDl LEU B 81 -13,157 34,234 13,678 1.00 0.08 c ATOM 3989 CD2 LEO B 81 -12,505 31,918 12,800 1.00 0.08 c ATCMO 3990 H LEO B 81 -13,530 34,870 8.697 1.00 o.oo H ATOM 3991 H? LEU B 81 -13,489 35,875 11,494 1.00 0.00 a ÁTOMO 3992 1KB LEU B 81 -12,768 33,124 10,414 1.00 0.00 a? TCMO 3993 2BB LEO B 81 -14,319 33,473 11,257 1.00 0.00 k ÁTOMO 3994 BG LEU B 81 -11,483 33,725 12,421 1.00 0.00 B ATCMO 3995 1HD1 LEU B 81 -12,405 34,520 14,427 1.00 0.00 k ATCMO 3996 2HD1 LEU B 81 -13,691 35,135 13,359 1.00 0.00 B ATCMO 3997 3HD1 LEU B 81 -13.915 33.631 14.207 1.00 0.00 k ÁTOMO 3998 1HD2 LEU B 81 -11.952 31,695 13,726 1.00 0.00 k ATCMO 3999 2HD2 LEU B 81 -13,519 31,498 12,903 1.00 0.00 H ÁTOMO 4000 3HD2 LEO B 81 -12,001 31,377 11,982 1.00 0.00 H? TCMO 4001 H GLU B 82 -10,987 36,068 11,529 1.00 0.09 N TCMO 4002 C? GLU B 82 -9.S82 36,329 11,444 1.00 0.09 c ATOMO 4003 C GLU B 82 -8,969 35,717 12,660 1.00 0.09 c ATOM 4004 OR GLU B 82 -9,443 35,926 13,776 1.00 0.09 0 ATCMO 4005 CB GLU B 82 -9,250 37,831 11,486 1.00 0.09 c? TCMO 4006 CG GLU B 82 -9,774 38,615 10,282 1.00 0.09 c TCMO 4007 CD GLU B 82 -9,587 40,099 10,568 1.00 0.09 c ATCMO 4008 OEl GLU B 82 -8,557 40,458 11.201 1.00 0.09 or ATOM 4009 OE2 GLU B 82 -10,477 40,894 10,166 1.00 0.09 01 TCMO 4010 II GLU B 82 -11,437 36,370 12,385 1.00 0.00 k ATCMO 4011 H? GLU B 82 -9.165 35.902 10.521 1.00 0.00 B ATCMO 4012 1HB GLU B 82 -8,149 37,899 11,523 1.00 0.00 H TCMO 4013 2BB GLU B 82 -9,643 38,266 12,420 1.00 0.00 B ÁTOMO 4014 1HG GLU B 82 -10,829 38,415 10,073 1.00 0.00 B ATCMO 4015 2BG GLU B 82 -9,148 38,392 9,408 1.00 0.00 B ATOMO 4016 N VAL B 83 -7,896 34,930 12,476 1.00 0.09 N TCMO 4017 C? VAL B 83 -7,263 34,328 13,611 1.00 0.09 C ÁTOMO 4018 c VAL B 83 -5.907 34.938 13.711 1.00 0.09 C ATOM 4019 or VAL B 83 -5,239 35,146 12,700 1.00 0.09 O ATOMO 4020 CB VAL B 83 -7,069 32,850 13,470 1.00 0.09 c ATCMO 4021 CGl VAL B 83 -8,451 32,182 13,377 1.00 0.09 c ATOM 4022 CG2 VAL B 83 -6,170 32,598 12,250 1.00 0.09 c ATOMUM 4023 H VAL B 83 -7,390 34,867 11,611 1.00 0.00 B ATCMO 4024 HA VAL B 83 -7,846 34,520 14,521 1.00 0.00 B ATOMO 4025 BB VAL B 83 -6.558 32.481 14.379 1.00 0.00 B ÁTOMO 4026 1HG1 VAL B 83 -8.397 31,094 13,515 1.00 0.00 B ATCMO 4027 2HG1 VAL B 83 -9.129 32,558 14,160 1.00 0.00 B ATONO 4028 3HG1 VAL B 83 -8.933 32.369 12.403 1.00 0.00 B ATCMO 4029 1HG2 VAL B 83 -6.508 31.805 11.601 1.00 0.00 H ATOMP 4030 2HG2 VAL B 83 -6.129 33.419 11.520 1.00 0.00 B ÁTOMO 4031 3HG2 VAL B 83 -5.180 32,524 12.716 1.00 0.00 B ATOM 4032 H PHE B 84 -5,469 35,260 14,943 1.00 0.23 N ATOM 4033 C? PHE B 84 -4,182 35,872 15,076 1.00 0.23 C ? TOMO 4034 C PHE B 84 -3.459 35.119 16.138 1.00 0.23 C ATCMO 4035 or PHE B 84 -4,077 34,442 16,959 1.00 0.23 p TCMO 4036 CB PHE 'B 84 -4,229 37,314 15,606 1.00 0.23 c ATOM 4037 CG F8E B 84 -5,215 38,093 14,810 1.00 0.23 c ATOM 4038 CDl P8E B 84 -4,889 38,632 13,590 1.00 0.23 c ATOM 4039 CD2 P8E B 84 -6,487 38,271 15,293 1.00 0.23 c ATOM 4040 CEI PBE B 84 -5,814 39,344 12,865 1.00 0.23 c TCMO 4041 CE2 PHE B 84 * -7,414 38,983 14,572 1.00 0.23 c ÁTOMO 4042 CZ PHE B 84 -7.OBI 39,525 13,357 1.00 0.23 c ATCMO 4043 H PHE B 84 -6,045 35,205 15,777 1.00 0.00 H ATOM 4044 H? PHE B 84 -3,619 35,831 14,132 1.00 0.00 H ÁTOMO 4045 1KB PHE B 84 -3.221 37.757 15,548 1.00 0.00 H? TCMO 4046 2HB PHE B 84 -4.503 37.318 16.673 1.00 0.00 H TCMO 4047 HDL PHE B 84 -3.881 38.507 13.203 1.00 0.00 H ATOMUM 4048 BD2 PBE B 84 -6.776 37.774 16.212 1.00 0.00 B ATOMO 4049 HE1 PBE B 84 -5,532 39,800 11,919 1.00 0.00 B ATCMO 4050 HE2 PHE B 84 -8.434 38.672 14.642 1.00 0.00 H ÁTOMO 4051 HZ PBE B 84 -7,738 40,278 13,011 1.00 0.00 B ÁTOMO 4052 H SER B 85 -2,115 35,187 16,131 1.00 0.34 N ATOM 4053 C? BE B 85 -1,395 34,574 17,204 1.00 0.34 C ÁTOMO 4054 c SER B 85 -0,673 35,676 17,915 1.00 0.34 c ATOMO 4055 or SER B 85 0.388 36.126 17.488 1.00 0.34 or ÁTOMO 4056 CB SER B 85 -0.370 33,520 16,748 1.00 0.34 c ATOMO 4057 OG SER B 85 0.610 34.106 15.906 1.00 0.34 or ATCMO 4058 H SER B 85 -1,592 35,821 15,547 1.00 0.00 fl ATCMO .4059 B? BE B 85 -2,077 34,071 17.905 1.00 0.00 H ATOM 4060 a. BE B 85 -0.858 32.718 16.180 1.00 0.00 H ? TOMO 4061 2HB SER B 85 0.105 33.091 17.647 1.00 0.00 H TCMO 4062 BG SER B 85 0.896 34.924 16.364 1.00 0.00 H ? TOMO 4063 N? SP B 86 -1.255 36.148 19.032 1.00 0.23 N ATOM 4064 C? ? SF B 86 -0.646 37.204 19.785 1.00 0.23 c ATOMO 4065 C? SP B 86 -0.958 36.941 21.219 1.00 0.23 c ATOMO 4066 O? SP B 86 -1,850 36,156 21,535 1.00 0.23 O ATOMO 4067 CB? SP B 86 -1,209 38,597 19,458 1.00 0.23 c ATOMO 4068 CG ASF B 86 -0,750 38,977 18,058 1.00 0.23 c ATOM 4069 OD1? SF B 86 0.436 38.705 17.730 1.00 0.23 O ÁTOMO 4070 OD2 ASP B 86 -1,581 39,538 17,294 1.00 0.23 Ol ATOMO 4071 fl? SF B 86 -2,098 35,791 19,438 1.00 0.00 H ATOMO 4072 H? ? SP B 86 0.450 37.190 19.655 1.00 0.00 H TCMO 4073 1HB? SF B 86 -0.728 39.310 20.149 1.00 0.00 H ÁTOMO 4074 2HB? SP B 86 -2.265 38.846 19.445 1.00 0.00 H ÁTOMO 4075 N TRP B 87 -0,199 37,567 22,136 1.00 0.14 N ATOM 4076 C? TRP B 87 -0.482 37.366 23.524 1.00 0.14 C ATOMO 4077 C TRF B 87 -1.782 37.995 23.895 1.00 0.14 c ATOMO 4078 OR TRF B 87 -2,587 37,390 24,598 1.00 0.14 0 ATOMO 4079 CB TRP B 87 0.603 37.882 24.479 1.00 0.14 c ATOMO 4080 CG TRP B 87 1,760 36,923 24,577 1.00 0.14 c ATOMO 4081 CDl TRP B 87 3,025 36,993 24,074 1.00 0.14 c ATOMO 4082 CD2 TRP B 87 1,660 35,660 2S.254 1.00 0.14 c ? TCMO 4083 NEI TRF B 87 3.722 35.852 24.401 1.00 0.14 N ATCMO 4084 CE2 TRP B 87 2,892 35,022 25,126 1.00 0.14 c ÁTOMO 4085 CB3 TRF B 87 0.621 35.080 25.924 1.00 0.14 c ÁTOMO 4086 CZ2 TRF B 87 3,106 33,786 25,670 1.00 0.14 c TCMO 4087 CZ3 TRP B 87 0.839 33.837 26.474 1.00 0.14 c ? TOMO 4088 CH2 TRP B 87 2,058 33,201 26,350 1.00 0.14 c TCMO 4089 a TRP B 87 0.548 38.1B9 21.872 1.00 0.00 H ATCMO 4090 H? TRF B 87 -0.614 36.285 23.692 1.00 0.00 B TCMO 4091 1BB TRP B 87 0.152 37.992 25.482 1.00 0.00 H ÁTOMO 4092 2HB TRP B 87 0.938 38.892 24.197 1.00 0.00 H ÁTOMO 4093 HDl TRP B 87 3,478 37,795 23,504 1.00 0.00 H ATCMO 4094 asi TRP B 87 4,680 35,678 24,202 1.00 0.00 H ATOMO 4095 BB3 TRP B 87 -0.335 35.580 26.045 1.00 0.00 H ÁTOMO 4096 BZ2 TRP B 87 4,070 33,292 25,578 1.00 0.00 H ÁTOMO 4097 HZ3 TRP B 87 0.071 33.373 27.066 1.00 0.00 H ÁTOMO 4098 BH2 TRP B 87 2,209 32,237 26,826 1.00 0.00 H ATOMO 4099 N LEO B 88 -2,035 39,229 23,423 1.00 0.12 N ATOM 4100 C? LEO B 88 -3.244 39.894 23.818 1.00 0.12 C ATOMO 4101 C LEO B 88 -3.845 40.527 22.607 1.00 0.12 C ÁTOMO 4102 O LEU B 88 -3.126 40.978 21.717 1.00 0.12 0 ? TOMO 4103 CB LEU B ßß -2.988 41.028 24.827 1.00 0.12 c ? TOMO 4104 CG LEU B 88 -4,252 41,777 25,294 1.00 0.12 c? VOLUME 4105 CDl LEU B 88 -5,169 40,882 26,135 1.00 0.12 c ATOMO 4106 CD2 LEU B 88 -3.893 43.089 26.012 1.00 0.12 c ÁTOMO 4107 H LEU'B 88 -1,477 39,686 22,720 1.00 0.00 B? TOMO 4108 B? LEU B 88 -3.946 39.167 24.244 1.00 0.00 H ÁTOMO 4109 1HB LEU B 88 -2,285 41,747 24,367 1.00 0.00 H ATOMO 4110 2KB LEU B 88 -2,468 40,616 25,711 1.00 0.00 fl ATCMO 4111 HG LEO B 88 -4,825 42,096 24,412 1.00 0.00 H ÁTOMO 4112 1HD1 LEO B 88"-6.215 40.971 25.827 1.00 0.00 H ATOM 4113 2HD1 LEO B 88 -4,833 39,841 26,171 1.00 0.00 H ATCMO 4114 3HD1 LEU B 88 -5.149 41.201 27.192 1.00 0.00 B? TCMO 4115 1HD2 LEU B 88 -4.793 43.673 26.263 1.00 0.00 B? TCMO 4116 2BD2 LEU B 88 -3.348 42.897 26.951 1.00 0.00 B ATCMO 4117 3HD2 LEU B 88 -3,245 43,720 25,387 1.00 0.00 H ? TOMO 4118 N LEU B 89 -5.192 40.561 22.535 1.00 0.11 N? TCMO 4119 C? LEU B 89 -5.817 41.207 21.418 1.00 0.11 c ATCMO 4120 c LEO B 89 -7,020 41,926 21,934 1.00 0.11 c ATOMO 4121 or LEO B 89 -7.608 41.536 22.942 1.00 0.11 or ATOMO 4122 CB LEU B 89 -6,316 40,242 20,325 1.00 0.11 c ATOM 4123 CG LEO B 89 -6,996 40,936 19,129 1.00 0.11 c ATOM 4124 CDl LEO B 89 -6,001 41,822 18,356 1.00 0.11 c ATOM 4125 CD2 LEU B 89 -7,712 39,917 18,228 1.00 0.11 c ÁTOMO 4126 H LEO B 89 -5.791 40,201 23,266 1.00 0.00 H ATOM 4127 H? LEO B 89 -5,075 41,763 20,868 1.00 0.00 H ATCMO 4128 flB LEU B 89 -7,014 39,506 20,758 1.00 0.00 a ÁTOMO 4129 2HB LEU B 89 -5,451 39,693 19,917 1.00 0.00 a ATOMO 4130 HG LEO B 89 -7,828 41,548 19,479 1.00 0.00 H ÁTOMO 4131 1BD1 LEU B 89 -6.459 42.253 17.451 1.00 0.00 8? TCMO 4132 2BD1 LEU B 89 -5.641 42.666 18.958 1.00 0.00 H? VOLUME 4133 3HD1 LEO B 89 -5.126 41.235 18.030 1.00 0.00 H? VOLUME 4134 1HD2 LEO B 89 -8.142 40,512 17,418 1.00 0.00 H ÁTOMO 4135 2BD2 LEU B 89 -7,007 39,183 17,817 1.00 0.00 8 ATOM 4136 3BD2 LEO B 89 -8,511 39,382 18,761 1.00 0.00 H ATCMO 4137 N LEO B 90 -7,400 43,026 21,259 1.00 0.11 N ATCMO 4138 C? LEU B 90 -8,597 43,700 21,649 1.00 0.11 c ATOM 4139 c LEU B 90 -9,606 43,186 20,677 1.00 0.11 c ÁTOMO 4140 0 LEU B 90 -9,404 43,266 19,467 1.00 0.11 0 ATOM 4141 CB LEO B 90 -8,527 45,232 21,510 1.00 0.11 c ATOMO 4142 CG LEU B 90 -9.818 45.948 21.950 1.00 0.11 c ATOM 4143 CDl LEU B 90 -10,083 45,729 23,448 1.00 0.11 c ATOM 4144 CD2 LEO B 90 -9,793 47,437 21,568 1.00 0.11 c ATOMO 4145 H LEU B 90 -6.910 43.370 20.450 1.00 0.00 H ATOM 4146 H? LEU B 90 -8,843 43,446 22,688 1.00 0.00 H ÁTOMO 4147 1HB LEO B 90 -8.289 45.492 20.463 1.00 0.00 B? TCMO 4148 2HB LEU B 90 -7.683 45.608 22.117 1.00 0.00 B? TOMO 4149 HG LEU B 90 -10.652 45.497 21.379 1.00 0.00 B? TCMO 4150 1HD1 LEU B 90 -11.099 45,356 23,615 1.00 0.00 a ATOMO 4151 2BD1 LEU B 90 -9.407 44,997 23,914 1.00 0.00 a ATOM 4152 3BD1 LEO B 90 -9,921 46,663 24,002 1.00 0.00 a ATCMO 4153 1HD2 LEO B 90 -10.779 47.894 21.677 1.00 0.00 a ATCMO 4154 2BD2 LEO B 90 -9,068 47,981 22,192 1.00 0.00 a ÁTOMO 415S 3HD2 LEU B 90 -9.494 47.554 20.513 1.00 0.00 a ATOM 4156 H GLN B 91 -10,719 42,628 21,185 1.00 0.11 N ATOMO 4157 C? GLN B 91 -11,640 41,998 20,289 1.00 0.11 c ATOM 4158 c GLN B 91 -12,857 42,848 20,152 1.00 0.11 c ATOM 4159 or GLN B 91 -13,277 43,520 21,093 1.00 0.11 or ATOM 4160 CB GLN B 91 -12,096 40,612 20,782 1.00 0.11 c ATCMO 4161 CG GLN B 91 -10,956 39,593 20,886 1.00 0.11 c ATOM 4162 CD GLN B 91 -11,531 38,284 21,415 1.00 0.11 c ATCMO 4163 OEl GLN B 91 -12,410 38,286 22,275 1.00 0.11 0 ATOM 4164 NE2 GLN B 91 -11,026 37,136 20,890 1.00 0.11 H ATOM 4165 B GLN B 91 -10,874 42,521 22,183 1.00 0.00 H ATCMO 4166 H? GLN B 91 -11,163 41,837 19,308 1.00 0.00 a ATOM 4167 1HB TLN B 91 -12,816 40,237 20,042 1.00 0.00 a ÁTOMO 4168 2BB GLN B 91 -12,614 40,719 21,748 1.00 0.00 B TCMO 4169 1HG GLN B 91 -10,184 39,916 21.606 1.00 0.00 a ÁTOMO 4170 2HG GLN B 91 -10,464 39,476 19,910 1.00 0.00 a ÁTOMO 4171 1HE2 GLN B 91 -10.465 37.207 20.058 1.00 0.00 a ÁTOMO 4172 2HE2 GLN B 91 -11,449 36,265 21,152 1.00 0.00 B ÁTOMO 4173 H ALA B 92 -13,435 42,855 18,936 1.00 0.18 H ATOM 4174 C? ALA B 92 -14,630 43,605 18,701 1.00 0.18 c ? TOMO 4175 c? LA B 92 -15.533 42.758 17.870 1.00 0.18 c ? TCMO 4176 or ALA B 92 -15.082 41.941 17.072 1.00 0.18 or? TCMO 4177 CB ALA B 92 -14.397 44.910 17.923 1.00 0.18 c ÁTOMO 4178 H ALA B 92 -13,113 42,309 18,152 1.00 0.00 H ATOM 4179 B? ALA B 92 -1,098 43,889 19,650 1.00 0.00 B ÁTOMO 41B0 1HB ALA B 92 -15.350 45.450 17.815 1.00 0.00 H ÁTOMO 4181 28B ALA B 92 -13,693 45,562 18,463 1.00 0.00 a ATOMO 4182 3HB ALA B 92 -13.990 44.720 16.918 1.00 0.00 a ÁTOMO 4183 H SER B 93 -16.852 42,907 18,076 1.00 0.25 N ATCMO 4184 C? SER B 93 -17,796 42,156 17.309 1.00 0.25 c ? TCMO 4185 C SER B 93 -17,756 42,639 15,893 1.00 0.25 c ATCMO 4186 OR SBR B 93 -17,703 41,842 14,957 1.00 0.25 or TCMO 4187 CB SER B 93 -19,230 42,324 17,826 1.00 0.25 c TCMO 41B8 OG SER B 93 -20,123 41,558 17,034 1.00 0.25 0 ATOM 4189 H SER B 93 -17,207 43,526 18,787 1.00 0.00 B ATOM 4190 B? BE B 93 -17.536 41.086 17.324 1.00 0.00 H? TCMO 4191 1BB SER B 93 -19,542 43,384 17,844 1.00 0.00 H ÁTOMO 4192 2HB SER B 93 -19,314 41,932 18,849 1.00 0.00 k ATOM 4193 HG SER B 93 -20,011 41,846 16,114 1.00 0.00 H ATOM 4194 H AL? B 94 -17,769 43,973 15,694 1.00 0.19 N ATOM 4195 C? ALA B 94 -17,777 44,482 14,351 1.00 0.19 c ÁTOMO 4196 C ALA B 94 -16.919 45.705 14.290 1.00 0.19 c ATCMO 4197 OR AL? B 94 -16,764 46,431 15,271 1.00 0.19 b ATOMO 4198 CB ALA B 94 -19,179 44,880 13,860 1.00 0.19 c? TOMO 4199 B? L? B 94 -17,658 44,650 16,428 1.00 0.00 k ATOM 4200 B? ALA B 94 -17,356 43,726 13,667 1.00 0.00 k ÁTOMO 4201 1HB ALA B 94 -19,117 45,246 12,823 1.00 0.00 k ATOM '4202 2BB AL? B 94 -19,858 44,014 13,878 1.00 0.00 H ATOM 4203 3HB? L? B 94 -19,612 45,677 14,484 1.00 0.00 k ÁTOMO 4204 N GLU B 95 -16,301 45,923 13,114 1.00 0.12 N ATCMO 4205 CA GLU B 95 -15,454 47,050 12,861 1.00 0.12 c ÁTOMO 4206 C GLU B 95 -16,282 48,297 12,802 1.00 0.12 c ATOMUM 4207 OR GLU B 95 -15,920 49,321 13,378 1.00 0.12 OR ATOMO 4208 CB GLU B 95 -14,711 46,900 11,522 1.00 0.12 c ATOMUM 4209 CG GLO B 95 -13,753 45,702 11.506 1.00 0.12 c ÁTOMO 4210 CD GLO B 95 -13.312 45.440 10.073 1.00 0.12 c ATOMO 4211 OBI GLO B 95 -13,538 46,328 9.208 1.00 0.12 0 ÁTOMO 4212 OE2 GLO B 95 -12,742 44,344 9.826 1.00 0.12 bl ATCMO 4213 H GLU B 95 -16,316 45,238 12,374 1.00 0.00 H ÁTOMO 4214 HA GLU B 95 -14,722 47,164 13,677 1.00 0.00 k ATOMO 4215 1HB GLU B 95 -14,146 47,836 11,359 1.00 0.00 B ÁTOMO 4216 2BB GLU B 95 -1S.448 46,820 10,703 1.00 0.00 H ATOMO 4217 1HG GLU B 95 -14,200 44,777 11,906 1.00 0.00 fl ATOMO 4218 2HG GLO B 95 -12,869 45,899 12,134 1.00 0.00 k ÁTOMO 4219 H VAL B 96 -17,436 48,236 12,110 1.00 0.11 N ATOM 4220 C? VAL B 96 -18,234 49,417 11,956 1.00 0.11 c ÁTOMO 4221 c VAL B 96 -19,504 49,229 12,709 1.00 0.11 c ATOMO 4222 or VAL B 96 -20,025 48,119 12,813 1.00 0.11 0 ATCMO 4223 CB VAL B 96 -18,599 49,704 10,531 1.00 0.11 c ÁTOMO 4224 CGl VAL B 96 -19,514 50,942 10,495 1.00 0.11 c ATOM 4225 CG2 VAL B 96 -17,299 49,864 9.726 1.00 0.11 c ATCMO 4226 H VAL B 96 -17,804 47,378 11,744 1.00 0.00 H ATOM 4227 B? VAL B 96 -17,676 50,279 12,332 1.00 0.00 H ÁTOMO 4228 HB VAL B 96 -19,167 48,857 10,104 1.00 0.00 k ATCMO 4229 1BG1 VAL B 96 -19,610 51,278 9,448 1.00 0.00 B ÁTOMO 4230 2BG1 VAL B 96 -20,517 50,663 10,851 1.00 0.00 H ATOMO 4231 3BG1 VAL B 96 -19,099 51,777 11,077 1.00 0.00 fl ATCMO 4232 1HG2 VAL B 96 -17,491 50,218 8,699 1.00 0.00 H ATCMO 4233 2BG2 VAL B 96 -16.616 50.5B4 10.198 1.00 0.00 k ATOMO 4234 3BG2 VAL B 96 -16.754 48,909 9.632 1.00 0.00 H ÁTOMO 4235 N VAL B 97 -20,028 50,335 13,268 1.00 0.10 N ATOMO 4236 C? VAL B 97 -21,230 50,266 14,039 1.00 0.10 fc ATOMO 4237 C VAL B 97 -22,100 51,399 13,620 1.00 0.10 c ATOMO 4238 O VAL B 97 -21,654 52,332 12,957 1.00 0.10 b ÁTOMO 4239 CB VAL B 97 -20,992 50,434 15,511 1.00 0.10 c ATOMO 4240 CGl VAL B 97 -20,128 49,263 16,004 1.00 0.10 c ATOM 4241 CG2 VAL B 97 -20,363 51,816 15,752 1.00 0.10 c ATCMO 4242 H VAL B 97 -19,530 51,212 13,277 1.00 0.00 B ATOM 4243 B? VAL B 97 -21,758 49,333 13,989 1.00 0.00 B ATOM 4244 BB VAL B 97 -21,926 50,484 16,060 1.00 0.00 H ÁTOMO 4245 1BG1 VAL B 97 -20,116 49,203 17.104 1.00 0.00 B? TOMO 4246 2BG1 VAL B 97 -20,458 48,283 15,626 1.00 0.00 k ATOMO 4247 3BG1 VAL B 97 -19,079 49,385 15,681 1.00 0.00 H ÁTOMO 4248 1HG2 VAL B 97 -20,214 51,976 16,835 1.00 0.00 B ÁTOMO 4249 2HG2 VAL "B 97 -19.366 51,909 15,298 1.00 0.00 B ÁTOMO 4250 3HG2 VAL B 97 -21,003 52,645 15,413 1.00 0.00 H ATOMO 4251 N MET B 9B -23,386 51,330 14,004 1.00 0.12 ATOM 4252 CA MET B 98 -24,315 52,369 13,688 1.00 0.12 c ATOM 4253 C MET B 98 -24,355 53,226 14,909 1.00 0.12 c ATOM 4254 OR MET B 98"-24,093 52,749 16,012 1.00 0.12 0 ATOM 4255 CB MET B 98 -25,737 51,837 13,442 1.00 0.12 c ATCMO 4256 CG MET B 98 -25.810 50.833 12.286 1.00 0.12 c ATOMO 4257 SD MET B 98 -25.466 51.524 10.639 1.00 0.12 s ATOM 4258 CE MET B 98 -27,170 52,062 10,325 1.00 0.12 c ÁTOMO 4259 B MET B 98 -23,734 50,567 14,559 1.00 0.00 k ? TOMO 4260 BA MBT B 98 -24,011 52,927 12,813 1.00 0.00 H ÁTOMO 4261 1HB MET B 98 -26,406 52,694 13,257 1.00 0.00 H ÁTOMO 4262 2BB MET B 98 -26,107 51,339 14,356 1.00 0.00 H ATOMO 4263 1BG MET B 98 -26,805 50,356 12,241 1.00 0.00 H ÁTOMO 4264 2BG MET B 98 -25,093 50,010 12,444 1.00 0.00 B ATOMO 4265 1BE MET B 98 -27,192 S2.S55 9,342 1.00 0.00 a ÁTOMO 4266 2HB MET B 98 -27,854 51,201 10,300 1.00 0.00 H ATOMUM 4267 3HE MET B 98 -27,497 52.78S 11,086 1.00 0.00 k? TCMO 4268 N GLO B 99 -24,653 54,527 14,755 1.00 0.10 N? VOLUME 4269 C? GLU B 99 -24,662 55,336 15,936 1.00 0.10 c? TCMO 4270 c GLU B 99 -25,806 54,890 16,779 1.00 0.10 c ATCMO 4271 0 GLU B 99 -26,866 54,525 16,272 1.00 0.10 0? TCMO 4272 CB GLU 3 99 -24,838 56,844 15,682 1.00 0.10 c ÁTOMO 4273 CG GLU B 99 -24,757 57,670 16,970 1.00 0.10 c ATQMO 4274 CD GLO B 99 -24.956 59.140 16.629 1.00 0.10 c ATONO 4275 OLE GLO B 99 -24,323 59,619 15,652 1.00 0.10 b? VOLUME 4276 OB2 GLO B 99 -25,752 59,803 17,347 1.00 0.10 bl? TCMO 4277 H GLU B 99 -24,979 54,937 13,900 1.00 0.00 8 ATOM 4278 H? GLU B 99 -23,696 55,198 16,459 1.00 0.00 B TCMO 4279 1HB GLU B 99 -25,788 57,005 15,155 1.00 0.00 B ÁTOMO 42B0 2KB GLU B 99 -23.975 57,166 15,117 1.00 0.00 a TCMO 4281 1BG GLU B 99 -23,715 57,578 17,265 1.00 0.00 a ÁTOMO 4282 2HG GLU B 99 -25,443 57,385 17,776 1.00 0.00 a ? TOMO 4283 N GLY B 100 -25.599 54.893 18.108 1.00 0.20 N TCMO 4284 C? GLY B 100 -26,641 54,528 19,014 1.00 0.20 fc ÁTOMO 4285 c GLY B 100 -26,474 53,096 19,396 1.00 0.20 c ATCMO 4286 0 GLY B 100 -27,034 52,656 20,399 1.00 0.20 or ATOMO 4287 H GLY B 100 -24,793 55,390 18,492 1.00 0.00 a ATCMO 4288 lH? GLY B 100 -27.635 54.668 18.562 1.00 0.00 a TCMO 4289 2HA GLY B 100 -26.SB6 5S.155 19,915 1.00 0.00 a ÁTOMO 4290 H GLN B 101 -25,696 52,315 18,624 1.00 0.50 N ATOM 4291 C? GLN B 101 -25,580 50,950 19,038 1.00 0.50 C ÁTOMO 4292 c GLN B 101 -24,520 50,860 20,078 1.00 0.50 c ATOMO 4293 0 GLN B 101 -23,614 51,689 20,161 1.00 0.50 b ? TOMO 4294 CB GLH B 101 -25.311 49.923 17.920 1.00 0.50 c ÁTOMO 4295 CG GLH B 101 -23,985 SO.OSO 17,175 1.00 0.50 c ÁTONO 4296 CD GLH B 101 -23.925 48.857 16.224 1.00 0.50 c ÁTOMO 4297 OEl GLH B 101 -22,862 48,448 15,963 1.00 O.SO or ATONO 4298 NE2 GLN B 101 -25,114 48,265 15,932 1.00 0.50 If ATOMO 4299 B GLH B 101 -25. IBS 52,658 17,818 1.00 0.00 a ATOMO 4300 B? GLH B 101 -26,589 50,647 19,360 1.00 0.00 B ATCMO 4301 1HB GLH B 101 -26,170 50,034 17,236 1.00 0.00 H TCMO 4302 2HB GLH B 101 -25,362 48,930 18,402 1.00 0.00 a ? TOMO 4303 1BG GLN B 101 -23.127 49.980 17.861 1.00 0.00 a ? TOMO 4304 2BG GLH B 101 -23.855 50.850 16.515 1.00 0.00 8 ? TOMO 4305 1HB2 GLN B 101 -25.978 48.551 16.3S0 1.00 0.00 8 ATCMO 4306 2HE2 GLH B 101 -25,070 47,437 15,362 1.00 0.00 8 ATCMO 4307 N PRO B 102 -24,671 49,879 20,918 1.00 0.57 N ATCMO 4308 C? PRO B 102 -23,702 49,696 21,956 1.00 0.57 c ATOMO 4309 c PRO B 102 -22,464 49,090 21,396 1.00 0.57 c ATOMO 4310 or PRO B 102 -22,552 48,324 20,440 1.00 0.57 or ATCMO 4311 CB PRO B 102 -24,375 48,836 23,023 1.00 0.57 c ATCMO 4312 CG PRO B 102 -25,870 49,147 22,846 1.00 0.57 c ÁTOMO 4313 CD PRO B 102 -26,007 49,500 21,355 1.00 0.57 c ATCMO 4314 B? PRO B 102 -23,501 50,683 22,400 1.00 0.00 fl ÁTOMO 4315 1HB PRO B 102 -23.985 49,030 24,034 1.00 0.00 a ATOMO 4316 2HB PRO B 102 -24,196 47,767 22,814 1.00 0.00 H ÁTOMO 4317 1BG PRO B 102 -26,136 50,022 23,462 1.00 0.00 H ÁTOMO 4318 2HG PRO B 102 -26.S38 48,328 23,154 1.00 0.00 H ATOMO 4319 1BD PRO B 102 -26,352 48,634 20,768 1.00 0.00 H ATOMO 4320 2BD PRO'B 102 -26,737 50,310 21,257 1.00 0.00 H ATOMO 4321 N LEO B 103 -21,299 49,426 21,973 1.00 0.26 N ATCMO 4322 C? LEO B 103 -20,081 48,841 21,517 1.00 0.26 C ÁTOMO 4323 c LEO B 103 -19,597 47,982 22,628 1.00 0.26 c ATOM 4324 0 LEO B 103 -19,568 48,404 23,782 1.00 0.26 p ÁTOMO 4325 CB LEU B 103 '-18.971 49.863 21.213 1.00 0.26 c ÁTOMO 4326 CG LEU B 103 -17,661 49,217 20,720 1.00 0.26 c ÁTOMO 4327 CDl LEU B 103 -17,856 48,516 19,366 1.00 0.26 c ATOM 4328 CD2 LEO B 103 -16,509 50,235 20,709 1.00 0.26 c ÁTOMO 4329 fl LEU B 103 -21,251 50,111 22,718 1.00 0.00 k ATOM 4330 H? LEU B 103 -20.277 48.257 20.607 1.00 0.00 H? TCMO 4331 1HB LEU B 103 -18.745 50.421 22.129 1.00 0.00 H ATOM 4332 2KB LEO B 103 -19.330 50.595 20.468 1.00 0.00 H ÁTOMO 4333 HG LEU B 103 -17,359 48,441 21,447 1.00 0.00 B ÁTOMO 4334 1BD1 LEU B 103 -16,913 48,068 19,010 1.00 0.00 k ? TOMO 4335 2HD1 LEU B 103 -18.596 47.704 19.406 1.00 0.00 H ATOM 4336 3HD1 LEO B 103 -18,182 49,236 18.S98 1.00 0.00 H ÁTOMO 4337 1BD2 LEU B 103 -15,604 49,827 20,237 1.00 0.00 8 ÁTOMO 4338 2BD2 LEO B 103 -16,779 51,152 20,160 1.00 0.00 k ATOM 4339 3BD2 LEU B 103 -16,227 50,511 21,735 1.00 0.00 H ÁTOMO 4340 H FBE B 104 -19,234 46,729 22,312 1.00 0.08 N ATOMO 4341 C? FHE B 104 -18,730 45,879 23,344 1.00 0.08 c ATOMO 4342 c PHS B 104 -17,343 45,523 22,936 1.00 0.08 c ATOM 4343 0 PHB B 104 -17,099 45,161 21,785 1.00 0.0B or? TOMO 4344 CB PHB B 104 -19,527 44,575 23,513 1.00 0.08 c? TCMO 434S CG PBE B 104 -18,986 43,851 24,699 1.00 0.08 c ÁTOMO 4346 CDl PBE B 104 -19,376 44,202 25,972 1.00 0.08 c ATOM 4347 CD2 PHB B 104 -18,097 42,814 24,540 1.00 0.08 c ÁTOMO 4348 CEI PBE B 104 -18,881 43,533 27,066 1.00 0.08 c ATOM 4349 CE2 PHE B 104 -17,597 42,141 25,630 1.00 0.08 c ÁTOMO 4350 CZ PHE B 104 -17,990 42,502 26,896 1.00 0.08 fc ÁTOMO 4351 B PHE B 104 -19,164 46,378 21,373 1.00 0.00 k ATOM 4352 B? FBE B 104 -18,730 46,402 24.309 1.00 0.00 k ÁTOMO 4353 1HB PHE B 104 -19,479 43,969 22,596 1.00 0.00 B ? TOMO 4354 2BB FHE B 104 -20.591 44.822 23.665 1.00 0.00 k TCMO 4355 HDL PHE B 104 -20.096 45.005 26.104 1.00 0.00 k TCMO 4356 BD2 PHE B 104 -18,020 42,448 23,527 1.00 0.00 k ÁTOMO 4357 BEI PHE B 104 -19,224 43,802 28,062 1.00 0.00 H ÁTOMO 4358 HE2 PHE B 104 -16.936 41.303 2S.591 1.00 0.00 H? VOLUME 4359 HZ FHE B 104 -17.766 41.863 27.735 1.00 0.00 B? TOMO 4360 N LEU B 105 -16.385 45.650 23.872 1.00 0.10 N ATOMO 4361 C? LEU B 105 -15,028 4S.325 23,562 1.00 0.10 c ? TOMO 4362 c LEU B 105 -14,558 44,396 24,624 1.00 0.10 fc ? TOMO 4363 or LEU B IOS -15,108 44,362 25,724 1.00 0.10 or ÁTOMO 4364 CB LEU B 105 -14,079 46,536 23,569 1.00 0.10 c ÁTOMO 4365 CG LEU B 105 -14,388 47,582 22,481 1.00 0.10 fc ATOMO 4366 CDl LEU B IOS -13,388 48,748 22,534 1.00 0.10 fc? TCMO 4367 CD2 LEU B IOS -14,485 46,936 21,090 1.00 0.10 fc? VOLUME 4368 to LEO B 105 -16,576 45,939 24,827 1.00 0.00 H? TCMO 4369 B? LEO B 105 -14.968 44.805 22.597 1.00 0.00 8 ATCMO 4370 1HB LEU B 105 -13,123 46,086 23,234 1.00 0.00 H ATCMO 4371 2HB LEU B 105 -13,791 46,969 24,481 1.00 0.00 B ÁTOMO 4372 HG LEU B IOS -15,382 48,018 22.69B 1.00 0.00 H ATCMO 4373 1HD1 LEO B 105 -13,415 49,365 21,621 1.00 0.00 a ATCMO 4374 2HDl LEU B IOS -13,615 49,414 23,383 1.00 0.00 8 ATCMO 4375 3HD1 LEO B 105 -12.365 48.392 22.683 1.00 0.00 B? TCMO 4376 1BD2 LEO B 105 -14.787 47.681 20.341 1.00 0.00 B ATCMO 4377 2HD2 LEU B IOS -13,499 46,550 20,781 1.00 0.00 a ATOMO 4378 3BD2 LEU B 105 -15,189 46,111 20,996 1.00 0.00 B ATOMO 4379 H ARG B 106 -13.530 43.592 24.307 1.00 0.1S N ? TOMO 4380 C? ARG B 106 -13,059 42,656 25,276 1.00 0.15 c? TCMO 4381 C ARG B 106 -11,579 42,563 2S.130 1.00 0.15 c? TCMO 4382 0 ARG B 106 -11,049 42,581 24,020 1.00 0.15 or ÁTOMO 4383 CB ARG B 106 -13,663 41,262 25,034 1.00 0.15 fc ATOMO 4384 CG ARG B 106 -13.241 40,162 26,004 1.00 0.15 c? TCMO 4385 CD ARG B 106 -14,061 38,888 25,787 1.00 0.15 c? VOLUME 4386 HE ARG B 106 -13,541 37,832 26,698 1.00 0.15 H1 + ATCMO 43B7 CZ ARG B 106 -12,993 36,702 26,169 1.00 0.15 c ÁTOMO 4388 HHl ARG B 106 -12.935 36.556 24.813 1.00 0.15 N ATCMO 4389 NB2 ARG B 106 -12,531 35,718 26,995 1.00 0.15 N ? TCMO 4390 H ARG B 106 -13,089 43,585 23,398 1.00 0.00 a TCMO 4391 B? ARG 'B 106 -13,331 42,978 26,288 1.00 0.00 H ATCMO 4392 1HB ARG B 106 -13.453 40.935 24.002 1.00 0.00 a ÁTOMO 4393 2BB ARG B 106 -14,740 41,426 25,150 1.00 0.00 8 ATCMO 4394 1BG ARG B 106 -13,146 40,446 27,059 1.00 0.00 TCMO 4395 2BG ARG B 106 -12.200 39.888 25.736 1.00 0.00 H Hl ÁTOMO 4396 1BD ARG B 106 '-13,950 38,632 24,738 1.00 0.00 Hl ÁTOMO 4397 2BD ARG B 106 -15,136 39,011 25,994 1.00 0.00 H? TCMO 4398 BE ARG B 106 -13.935 37.715 27.606 1.00 0.00 to? TCMO 4399 1B81 ARG B 106 -12.968 37.348 24.200 1.00 0.00 ? TOMO 4400 2BB1 ARG B 106 -12.382 35.811 24.442 1.00 0.00 to Hl ATCMO 4401 1HB2 ARG B 106 -12,173 34,859 26,638 1.00 0.00 8 ÁTOMO 4402 2BB2 ARG B 106 -12,478 35,864 27,979 1.00 0.00 8 ÁTOMO 4403 N CYS B 107 -10,862 42,482 26,266 1.00 0.16 N ATOM 4404 C? CYS B 107 -9,446 42,306 26,188 1.00 0.16 C ATCMO 4405 C CYS B 107 -9,261 40,846 26,416 1.00 0.16 C ÁTOMO 4406 or CYS B 107 -9,650 40,320 27,458 1.00 0.16 O ÁTOMO 4407 CB CYS B 107 -8,663 43,074 27,268 1.00 0.16 c ATOMO 4408 Sß CYS B 107 -9,006 44,857 27,207 1.00 0.16 s ATCMO 4409 B CYS B 107 -11,264 42,454 27,191 1.00 0.00 a ATOMO 4410 H? CYS B 107 -9,062 42,647 25,214 1.00 0.00 a TCMO 4411 1HB CYS B 107 -7.591 42.892 27.084 1.00 0.00 H ? TOMO 4412 2BB CYS B 107 -8.887 42.711 28.282 1.00 0.00 a ATCMO 4413 H HXS B 109 -8,681 40,141 25,429 1.00 0.11 N ATCMO 4414 CA BIS B 108 -8.593 38.719 25.557 1.00 0.11 C ÁTOMO 4415 C BIS B 108 -7,159 38,316 25,545 1.00 0.11 c ÁTOMO 4416 OR BTS B 108 -6,360 38,829 24,763 1.00 0.11 0 ATCMO 4417 CB BIS B 108 -9.321 37.991 24.412 1.00 0.11 c ATOM 4418 CG BXS B 108 -9,314 36,494 24,517 1.00 0.11 c ATOMO 4419 ND1 BIS B 108 -8,352 35,693 23,946 1.00 0.11 N ATCMO 4420 CD2 BXS B 108 -10,189 35,649 25,126 1.00 0.11 c ? TOMO 4421 CEI BIS B 108 -β.693 34.410 24.231 1.00 0.11 c ATOMO 4422 NB2 BIS B 108 -9,799 34,333 24,946 1.00 0.11 N ? TCMO 4423 B BXS B 108 -8,343 40.SS0 24,563 1.00 0.00 a TOMO 4424 H? BXS B 108 -9,067 38,390 26,494 1.00 0.00 a ATCMO 4425 1KB BXS B 108 -8,903 38,313 23,443 1.00 0.00 B ATOMO 4426 2HB BXS B 108 -10,372 38,319 24.407 1.00 0.00 B ÁTOMO 4427 HD2 BXS B 108 -10,626 35,988 26,029 1.00 0.00 H¡ ÁTOMO 4428 HE1 BIS B 108 -7,908 33,691 24,152 1.00 0.00 H ATOMO 4429 HE2 BIS B 108 -9.908 33.580 25.609 1.00 0.00 a ATOMO 4430 N GLY B 109 -6.805 37.367 26.433 1.00 0.09 N TCMO 4431 C? GLY B 109 -5.456 36.899 26.515 1.00 0.09 c ? TOMO 4432 C GLY B 109 -5.417 35.556 25.871 1.00 0.09 c TOMO 4433 OR GLY B 109 -6,414 34,837 25,839 1.00 0.09 0 ÁTOMO 4434 H GLY B 109 -7,478 36,848 26,971 1.00 0.00 8 ATOMO 4435 lH? GLY B 109 -5.161 36.786 27.574 1.00 0.00 H ATOM 4436 2B? GLY B 109 -4,766 37,619 26,058 1.00 0.00 H ATOM 4437 N TRP B 110 -4,241 35,184 25,339 1.00 0.32 N ATOM 4438 C? TRP B 110 -4,097 33,932 24,665 1.00 0.32 C ATCMO 4439 c TRP B 110 -4,162 32,847 25,691 1.00 0.32 C ATCMO 4440 or TRP B 110 -3.707 33,008 26,822 1.00 0.32 O? TCMO 4441 CB TRP B 110 -2,767 33,840 23,890 1.00 0.32 c | ATCMO 4442 CG TRP B 110 -2,534 32,551 23,142 1.00 0.32 c ATOM 4443 CDl TRP B 110 -3,146 32,070 22,021 1.00 0.32 c ATOMO 4444 CD2 TRP B 110 -1,525 31,596 23,495 1.00 0.32 cj ATOMO 4445 NEI TRP B 110 -2,583 30,869 21,657 1.00 0.32 14 ATOM 4446 CE2 TRF B 110 -1,580 30,568 22,553 1.00 0.32 cl ÁTOMO 4447 CE3 TRP B 110 -0.621 31,578 24,517 1.00 0.32 c ÁTOMO 4448 CZ2 TRP B 110 -0.729 29.502 22.620 1.00 0.32 c ? TOMO 4449 CZ3 TRP B 110 0.236 30.504 24.583 1.00 0.32 c ATOMO 4450 CH2 TRP B 110 0.183 29.486 23.653 1.00 0.32 ÁTOMO 4451 8 TRP B 110 -3.501 35.873 25.213 1.00 0.00 8c¡ ATOMO 4452 B? TRP B 110 -4,922 33,828 23,933 1.00 0.00 H ATCMO 4453 1HB TRP B 110 -1,929 34,040 24,572 1.00 0.00 H ATOMO 4454 2BB TRP B 110 -2,766 34,667 23,167 1.00 0.00 ATOMM H 4455 HDl TRP B 110 -4,013 32,458 21,524 1.00 0.00? TCMO H 4456 HE1 TRP B 110 -3,077 30,217 21,085 1.00 0.00 H ÁTOMO 4457 BE3 TRP B 110 -0.604 32,378 25,237 1.00 0.00 H ATOMO 4458 HZ2 TRP B 110 -0.771 28,699 21,889 1.00 0.00 B ? TOMO 4459 HZ3 TRP B 110 1,037 30,521 25,317 1.00 0.00 R? VOLUME 4460 HH2 TRP B 110 0.902 28,670 23,710 1.00 0.00 B? VOLUME 4461 N ARG B 111 -4,775 31,709 25,311 1.00 0.53 N? TCMO 4462 C? ? RG'B 111 -4.933 30.586 26.189 1.00 0.53 C ÁTOMO 4463 c ARG B 111 -5,683 31,000 27,413 1.00 0.53 o C ÁTOMO 4464 ARG B 111 -5,653 30,300 28,425 1.00 0.S3 0 ATOMO 4465 CB ARG B 111 -3,620 29,933 26,655 1.00 0.53 c ATOMO 4466 CG ARG B 111 -3,020 28,970 25,633 1.00 0.53 c TCMO 4467 CD ARG B 111 * -2,053 27,949 26,245 1.00 0.S3 c? VOLUME 4468 NB? RG B 111 -0.754 28,629 26,508 1.00 0.53 N1 + ATOMO 4469 CZ? RG B 111 0.186 28.032 27.299 1.00 0.53 C ATCMO 4470 NH1? RG B 111 -0.095 26.849 27.921 1.00 0.53 N ATCMO 4471 NH2? RG B 111 1,396 28,633 27,493 1.00 0.53 N ÁTOMO 4472 H? RG B 111 -5,186 31,627 24,389 1.00 0.00 H ATOMO 4473 H? ARG B 111 -5,583 29,848 25,683 1.00 0.00 H? VOLUME 4474 1BB ARG B 111 -3.792 29,342 27,570 1.00 0.00 H? VOLUME 4475 2HB ARG B 111 -2,899 30.707 26.910 1.00 0.00 k ÁTOMO 4476 1BG ARG B 111 -2,557 29,498 24.791 1.00 0.00 H ATCMO 4477 2HG ARG B 111 -3,855 28,394 25,192 1.00 0.00 k ÁTOMO 4478 ÍHD? RG B 111 -1,871 27,088 25,580 1.00 0.00 H ATOM 4479 2HD? RG B 111 -2,462 27,574 27,198 1.00 0.00 B ÁTOMO 4480 BE? RG B 111 -0.400 29,179 25.751 1.00 0.00 B ATOMO 4481 1881 ARG B 111 -0.987 26,418 27,837 1.00 0.00 H ÁTOMO 4482 2HH1? RG B 111 0.584 26.383 28.480 1.00 0.00 H ÁTOMO 4483 1HH2? RG B 111 2,095 28,219 28,070 1.00 0.00 H ATOMO 4484 2HH2 ARG B 111 1,585 29,543 27,140 1.00 0.00 H ATOMO 4485 H ASH B 112 -6.402 32,134 27,343 1.00 0.33 N TOMO 4486 C? ? SH B 112 -7.191 32.586 28.452 1.00 0.33 C? TCMO 4487 C? SH B 112 -6.360 32.626 29.693 1.00 0.33 C ? TOMO 4488 or? SH B 112 -6,800 32,181 30.754 1.00 0.33 b ? TCMO 4489 CB? SH B 112 -8.409 31,688 28,734 1.00 0.33 fc ÁTOMO 4490 CG? SH B 112 -9.405 31.882 27.60S 1.00 0.33 c? VOLUME 4491 ODl? SH B 112 -9,721 33,014 27,241 1.00 0.33 b? VOLUME 4492 HD2? SH B 112 -9,908 30,756 27,031 1.00 0.33 N ? TOMO 4493 H? SH B 112 -6,362 32,724 26,520 1.00 0.00 a ? TOMO 4494 HA ASN B 112 -7,515 33,623 28,253 1.00 0.00 a ÁTOMO 4495 1HB? SN B 112 -8.936 32.044 29.637 1.00 0.00 a ÁTOMO 4496 2HB? SN B 112 -8.129 30,637 28,898 1.00 0.00 k ? TOMO 4497 1BD2? SN B 112 -9.555 29.853 27.290 1.00 0.00 H ATCMO 4498 2HD2? SN B 112 -10,398 30,864 26.1SS 1.00 0.00 H ATCMO 4499 H TRP B 113 -5,133 33,171 29,612 1.00 0.13 go ATOMO 4500 C? TRF B 113 -4,351 33,236 30.808 1.00 0.13 c ATOMO 4501 C TRF B 113 -4,945 34,304 31,665 1.00 0.13 c ? TCMO 4502 OR TRF B 113 -5,619 35,209 31,177 1.00 0.13 b TCMO 4503 CB TRP B 113 -2,864 33,550 30,572 1.00 0.13 c ATOM 4504 CG TRP B 113 -2,109 32,435 29.884 1.00 0.13 c ? TOMO 4505 CDl TRF B 113 -1,666 32,352 28,595 1.00 0.13 c ATOMO 4506 CD2 TRF B 113 -1.737 31,203 30,524 1.00 0.13 c ATOMO 4507 NEI TRP B 113 -1,030 31,149 28,395 1.00 0.13 N ATCMO 4508 CB2 TRP B 113 -1,071 30,431 29,574 1.00 0.13 c ATOM 4509 CE3 TRP B 113 -1,939 30,749 31,798 1.00 0.13 c ? TCMO 4510 CZ2 TRF B 113 -0.593 29,190 29.891 1.00 0.13 c ATCMO 4511 CZ3 TRP B 113 -1.451 29.499 32.110 1.00 0.13 fc ATOMO 4512 CH2 TRP B 113 -0,791 28,733 31,174 1.00 0.13 fc ATOMO 4513 H TRP B 113 -4,706 33,392 28,722 1.00 0.00 H ATOM 4514 B? TRP B 113 -4,416 32,264 31,331 1.00 0.00 H ATOMO 4515 1HB TRF B 113 -2,398 33,746 31,554 1.00 0.00 H ATOMO 4516 2KB TRP B 113 -2,768 34,490 30,007 1.00 0.00 H ? TOMO 4517 HDL TRP B 113 -1,720 33,120 27,844 1.00 0.00 H ÁTOMO 4518 BBL TRP B 113 -0.986 30,689 27,511 1.00 0.00 H? VOLUME 4519 HE3 TRP B 113 -2,453 31,342 32,547 1.00 0.00 H ATCMO 4520 BZ2 TRF B 113 0.140 28.651 29.363 1.00 0.00 B ÁTOMO 4521 BZ3 TRP B 113 -1,587 29,113 33,118 1.00 0.00 B ÁTOMO 4522 BB2 TRP B 113 -0.388 27.770 31.480 1.00 0.00 B ÁTOMO 4523 N ASF B 114 -4,712 34,218 32,988 1.00 0.12 H ATOMO 4524 C? ? SF B 114 -5.293 35.164 33.895 1.00 0.12 C ATCMO 4525 C -? SP B 114 -4,813 36,522 33,513 1.00 0.12 C ATOMO 4526 O? SP B 114 -3,627 36,729 33,263 1.00 0.12 O ÁTOMO 4527 CB? SP B 114 -4,874 34,945 35,357 1.00 0.12 c ATCMO 4528 CG? SP B 114 -5,445 33,616 35,823 1.00 0.12 c ÁTOMO 4529 OD1? SP B 114 -6,688 33,434 35,731 1.00 0.12 0 ATOMO 4530 OD2? SP B 114 -4,640 32,765 36,285 1.00 0.12 l ' ÁTOMO 4531 H? SF B 114 -4,235 33,453 33,434 1.00 0.00 B ATOMO 4532 H? ? SP B 114 -6,396 35,103 33,822 1.00 0.00 fl ÁTONO 4533 1HB ASP'B 114 -5,326 35,762 35,943 1.00 0.00 fl ATCMO 4S34 2HB ASP B 114 -3,782 34,988 35,482 1.00 0.00 a? TCMO 4535 H VAL B 115 -5,746 37,488 33,447 1.00 0.21 H? VOLUME 4536 C? VAL B 115 -5.36B 38.823 33.098 1.00 0.21 c ATOMO 4537 c VAL B 115 -5.975 39.733 34.112 1.00 0.21 fc ATOMO 4538 0 VAL B 115 * -7.072 39.488 34.611 1.00 0.21 or ? TOMO 4539 CB VAL B 115 -5.880 39.263 31.759 1.00 0.21 c ATOMO 4540 CGl VAL B 115 -5,413 40,708 31,508 1.00 0.21 fc ÁTOMO 4541 CG2 VAL B 115 -5,402 38,262 30,694 1.00 0.21 c ÁTOMO 4542 H VAL B 115 -6,699 37,343 33,725 1.00 0.00 H ATOM 4543 H? VAL B 115 -4.271 38.918 33.117 1.00 0.00 HÁTOMO 4544 BB VAL B US -6,981 39,270 31,744 1.00 0.00 H ÁTOMO 4545 1KG1 VAL B 115 -5,622 41,014 30,468 1.00 0.00 H ATCMO 4S46 2HG1 VAL B 115 -5,940 41,434 32,142 1.00 0.00 k ÁTOMO 4547 3BG1 VAL B 115 -4,326 40,819 31,656 1.00 0.00 8 ? TOMO 4548 1BG2 VAL B 115 -6.242 37.632 30.360 1.00 0.00 H ? TCMO 4549 2BG2 VAL B 115 -5.022 38: 760 29.788 1.00 0.00 H ÁTOMO 4550 3BG2 VAL B 115 -4,626 37,571 31,037 1.00 0.00 H? TCMO 4551 H TYR B 116 -5,249 40,808 34,455 1.00 0.44 N ATOM 4552 C? TYR B 116 -5,738 41,756 35,407 1.00 0.44 C ? TCMO 4553 c TYR B 116 -5.192 43.082 34.997 1.00 0.44 c ? TOMO 4554 0 TYR B 116- -4,387 43,164 34,070 1.00 0.44 b ? TOMO 4555 CB TYR B 116 -5.271 41.458 36.836 1.00 0.44 c ATCMO 4556 CG TYR B 116 -3.794 41.347 36.746 1.00 0.44 c ? TOMO 4557 CDl TYR B 116 -2,990 42,447 36,891 1.00 0.44 c ATCMO 4558 CD2 TYR B 116 -3.215 40,131 36,486 1.00 0.44 c ATCMO 4559 CB1 TYR B 116 -1,624 42,331 36,797 1.00 0.44 c ÁTOMO 4560 CB2 TYR B 116 -1.851 40,007 36,391 1.00 0.44 c ÁTOMO 4561 CZ TYR B 116 -1,050 41,109 36,548 1.00 0.44 c ÁTOMO 4562 OH TYR B 116 0.352 40.983 36.4S1 1.00 0.44 or ATCMO 4563 H TYR B 116 -4,340 40,999 34,057 1.00 0.00 H ATOM 4564 H? TYR B 116 -6.838 41.795 35.343 1.00 0.00 k TOMO 4565 1HB TYR B 116 -5,732 40,521 37,186 1.00 0.00 8 ? TOMO 4566 2HB TYR B 116 -5.607 42.248 37.523 1.00 0.00 B TCMO 4S67 HDl TYR B 116 -3,439 43,399 37,135 1.00 0.00 H TCMO 4S68 HD2 TYR B 116 -3.838 39.248 36.357 1.00 0.00 H TCMO 4569 HB1 TYR B 116 -0.986 43,139 37,108 1.00 0.00 B ? TOMO 4570 HE2 TYR B 116 -1.421 39.030 36.180 1.00 0.00 H ÁTOMO 4571 HH TYR B 116 0.572 40.183 35.940 1.00 0.00 H ATOM 4372 H LYS B 117 -5,625 44,154 35,689 1.00 0.45 N ATOM 4573 C? LYS B 117 -5.196 45.486 35.366 1.00 0.45 μ ? TCMO 4574 C LYS B 117 -5.361 45.714 33.903 1.00 0.45 c ATCMO 4575 O LYS B 117 -4,381 45,874 33,177 1.00 0.45 b ATOMO 4576 CB LYS B 117 -3,732 45,803 35,716 1.00 0.45 c ? TOMO 4577 CG LYS B 117 -3.486 46.035 37.205 1.00 0.45 c ? TOMO 4578 CD LYS B 117 -2,021 46,314 37,540 1.00 0.45 c ATOMO 4579 CE LYS B 117 -1.803 46.773 38.982 1.00 0.45 c ATOMO 4580 NZ LYS B 117 -1,648 45,598 39,868 1.00 0.45 N1 + ÁTOMO 4581 H LYS B 117 -6,473 44,044 36,231 1.00 0.00 H ATOMO 4582 H? LYS B 117 -5,857 46,181 35,904 1.00 0.00 H ÁTOMO 4583 1HB LYS B 117 -3,423 46,732 35,202 1.00 0.00 8 ATOMO 4584 2BB LYS B 117 -3,072 45,012 35,321 1.00 0.00 8? VOLUME 4585 1BG LYS B 117 -4,032 45,396 37,906 1.00 0.00 H? VOLUME 4586 2BG LYS B 117 -3,730 47,063 37,280 1.00 0.00 B TOMO 4587 ÍHD LYS B 117 -1,662 47,096 36,845 1.00 0.00 H ATOMO 4588 2HD LYS B 117 -1.404 45.426 37.399 1.00 0.00 8 ATCMO 4589 IBS LYS B 117 -2,615 47,410 39,361 1.00 0.00 μ? TCMO 4590 2BE LYS B 117 -0,875 47,361 39,082 1.00 0.00 H? VOLUME 4591 1HZ LYS B 117 -1.543 45.856 40.843 1.00 0.00 H •? TCMO 4592 2HZ LYS B 117- 2.45B 44.990 39.832 1.00 0.00 B? TOMO 4593 3HZ LYS B 117 -0.847 45.024 39.642 1.00 0.00 H? VOLUME 4594 N VAL B 118 -6.621 45.732 33.433 1.00 0.21 N ATCMO 4595 C? VAL B 118 -6,873 45,917 32,037 1.00 0.21 C ? TOMO 4596 c VAL B 118 -7.212 47.354 31.806 1.00 0.21 C ? TCMO 4597 or VAL B 118 -7.95B 47.964 32.569 1.00 0.21 b ÁTOMO 4598 CB VAL B 118 -8,032 45,104 31,546 1.00 0.21"c ATOMO 4599 CGl VAL B 118 -8,313 45,486 30.OBß 1.00 0.21 fc ? TOMO 4600 CG2 VAL B 118 -7.70B 43,615 31,749 1.00 0.21 c ? TOMO 4601 H VAL B 118 -7,436 45,659 34,029 1.00 0.00 H? TOMO 4602 H? VAL B 118 -5,985 45,589 31,488 1.00 0.00 a? VOLUME 4603 HB VAL B 118 -8,930 45,345 32,142 1.00 0.00 8 ÁTOMO 4604 1HG1 VAL'B 118 -9.124 44.854 29.695 1.00 0.00 8 ÁTOMO 4605 2HG1 VAL B 118 -8,627 46,530 29,946 1.00 0.00 a ATOMO 4606 3HG1 VAL B 118 -7,398 45,279 29,526 1.00 0.00 B ÁTOMO 4607 1HG2 VAL B 118 -8,494 42,960 31,340 1.00 0.00 a ÁTOMO 4608 2HG2 VAL B 118 -6,771 43,353 31,231 1.00 0.00 H ATOMO 4609 3HG2 VAL B 118 '-7.597 43.351 32.813 1.00 0.00 a? VOLUME 4610 N ILE B 119 -6.636 47.944 30.739 1.00 0.09 N? TCMO 4611 C? ILB B 119 -6.937 49.309 30.434 1.00 0.09 fc? TCMO 4612 c ILE B 119 -7.363 49.370 29.005 1.00 0.09 c? TCMO 4613 or XLE B 119 -6.814 48.67B 28.149 1.00 0.09 b? TCMO 4614 CB XLE B 119 -5.765 50.232 30.583 1.00 0.09 c? TCMO 4615 CGl ILE B 119 -5.244 50.204 32.028 1.00 0.09 c ATOMS 4616 CG2 XLE B 119 -6.202 51,627 30.108 1.00 0.09 c ATOMO 4617 COI XLB B 119 -3.887 50.886 32.199 1.00 0.09 C ÁTOMO 4618 8 ILE B 119 -5.959 47.463 30.152 1.00 0.00 k ATOM 4619 B? XLE B 119 -7.753 49.658 31.079 1.00 0.00 a ÁTOMO 4620 BB XLE B 119 -4,971 49,878 29,921 1.00 0.00 8? TCMO 4621 1HG1 XLE B 119 -5,125 49,169 32,385 1.00 0.00 8? VOLUME 4622 2HG1 XLE B 119 -5,963 50,777 32,619 1.00 0.00 8? VOLUME 4623 1HG2 XLE B 119 -5,476 52.407 30.381 1.00 0.00 8 ÁTOMO 4624 2BG2 XLE B 119 -6,341 51,692 29,021 1.00 0.00 k ÁTOMO 4625 3HG2 ILE B 119 -7,135 51,938 30,599 1.00 0.00 H ÁTOMO 4626 1HD1 XLS B 119 -3.575 50.833 33.256 1.00 0.00 H ÁTOMO .4627 2HD1 XLE B 119 -3.103 50.373 31.623 1.00 0.00 8 ÁTOMO 4628 3HD1 XLE B 119 -3.918 S1.95S 31,943 1.00 0.00 H TCMO 4629 N TYR B 120 -8.383 50.200 28.722 1.00 0.09 N? TCMO 4630 C? TYR B 120 -8,837 50,378 27,377 1.00 0.09 C? TCMO 4631 c TYR B 120 -ß.350 51,707 26,923 1.00 0.09 c? TCMO 4632 or TYR B 120 -8,418 52,691 27,658 1.00 0.09 b ATCMO 4633 CB TYR B 120 -10,367 50,372 27,212 1.00 0.09 C ATOMO 4634 CG TYR B 120 -10,850 48,963 27,189 1.00 0.09 c ATCMO 4635 CDl TYR B 120 -11,051 48,235 28,339 1.00 0.09 μ ATOM 4636 CD2 TYR B 120 -11,111 48,374 25,973 1.00 0.09 c ÁTOMO 4637 CEI TYR B 120 -11,504 46,937 28,266 1.00 0.09 c ATOM 4638 CE2 TYR B 120 -11,563 47,081 25.893 1.00 0.09 c ÁTOMO 4639 CZ TYR B 120 -11,761 46,361 27,043 1.00 0.09 μ? TCMO 4640 OH TYR B 120 -12,226 45,034 26,949 1.00 0.09 b? VOLUME 4641 to TYR B 120 -8.759 50,823 29,425 1.00 0.00 B? TCMO 4642 B? TYR B 120 -8,416 49,584 26,738 1.00 0.00 8 ATOM 4643 1HB TYR B 120 -10,609 50,876 26,261 1.00 0.00 H ATOMO 4644 2BB TYR B 120 -10.841 50.971 28.003 1.00 0.00 H ATCMO 4645 BD1 TYR B 120 -10,803 48,686 29,294 1.00 0.00 H ? TOMO 4646 BD2 TYR B 120 -10.958 48.938 25.055 1.00 0.00 k? VOLUME 4647 KE1 TYR B 120 -11.634 46.356 29.175 1.00 0.00 k? TCMO 4648 BE2 TYR B 120 -11.814 46.651 24.941 1.00 0.00 k ÁTOMO 4649 HH TYR B 120 -11.973 44.595 27.775 1.00 0.00 K TCMO 4650 N TYR B 121 -7.B16 51,760 25,689 1.00 0.1B N ATCMO 4651 C? TYR B 121 -7.302 52.999 25.199 1.00 0.18 c ATCMO 4652 c TYR B 121 -8,013 53,324 23,925 1.00 0.18 c ATOMUM 4653 or TYR B 121 -8.291 52,449 23.108 1.00 0.18 or ATCMO 4654 CB TYR B 121 -5,803 52,937 24,877 1.00 0.18 c ATOMO 4655 CG TYR B 121 -5,083 52,647 26,150 1.00 0.18 or ATOM 4656 CDl TYR B 121 -4,694 53,668 26.987 1.00 0.18 c TCMO 4657 CD2 TYR B 121 -4,800 51,349 26.509 1.00 0.18 C | ATOMS 46S8 CEI TYR B 121 -4,028 53,397 28,160 1.00 0.18 c ÁTOMO 4659 CE2 TYR B 121 -4,134 51,074 27,679 1.00 0.18 d ÁTOMO 4660 CZ TYR B 121 -3,744 52,098 28,506 1.00 0.18 cl ATON 4661 OB TYR B 121 -3,059 51,815 29.707 1.00 0.18 or ÁTOMO 4662 H TYR B 121 -7,619 50,943 25,120 1.00 0.00 *! ATOM 4663 H? TYR B 121 -7,431 53,759 25,960 1.00 0.00 k ATCMO 4664 1HB TYR B 121 -5,500 53,911 24,460 1.00 0.00 H TCMO 4665 2HB TYR B 121 -5.589 52.184 24.103 1.00 0.00 H ATCMO 4666 HDl TYR B 121 -4,883 54,701 26,707 1.00 0.00 H ATOM 4667 HD2 TYR B 121 -5,074 50,534 25,848 1.00 0.00 H ATOMO 4668 HE1 TYR B 121 -3.684 54.220 28.783 1.00 0.00 H ÁTOMO 4669 HE2 TYR B 121 -4,040 50,026 27.774 1.00 0.00 8 ATCMO 4670 HH TYR B 121 -2,245 52,351 29,616 1.00 0.00 Bl ATOMO 4671 N LYS B 122 -8,347 54,617 23,757 1.00 0.28 Ni TCMO 4672 C? LYS B 122 -9,000 55,139 22,598 1.00 0.28 C ÁTOMO 4673 c LYS B 122 -8.109 56.236 22.126 1.00 0.28 C¡ ATOM 4674 or LYS. B 122 -7.986 57.264 22.790 1.00 0.28 0 ATOMO 467S CB LYS B 122 -10,349 55,804 22,933 1.00 0.28 C ÁTOMO 4676 CG LYS B 122 -11,176 56,243 21,722 1.00 0.28 c ÁTOMO 4677 CD LYS B 122 -12,535 56,836 22,111 1.00 0.28 Cl ÁTOMO 4678 CE LYS B 122 -13,183 56,151 23,316 1.00 0.28 c ÁTOMO 4679 HZ LYS B 122.-14,483 56,791 23,628 1.00 0.28 N1 + ATCMO 4680 H LYS B 122 -8,144 55,299 24,484 1.00 0.00 H ÁTOMO 4681 HA LYS B 122 -9.164 S4.338 21.86S 1.00 0.00 B ATCMO 4682 1KB LYS B 122 -10,242 56,625 23,659 1.00 0.00 a ATOMO 4683 2KB LYS B 122 -10.988 55.031 23.342 1.00 0.00 B ? TOMO 4684 1HG LYS B 122 -11,311 55,374 21,057 1.00 0.00 H TCMO 4685 2BG LYS B 122 -10,623 56,984 21,114 1.00 0.00 H TCMO 4686 1BD LYS B 122 -13,201 56,854 21,232 1.00 0.00 H ATCMO 4687 2HD LYS B 122 -12,369 57,894 22,385 1.00 0.00 H ÁTOMO 4688 1HE LYS B 122 -12,551 56,319 24,190 1.00 0.00 a ÁTOMO 4689 2HE LYS B 122 -13,425 55,120 23,185 1.00 0.00 a ÁTOMO 4690 1BZ LYS B 122 -14,924 56,393 24,445 1.00 0.00 B ÁTOMO 4691 2BX LYS B 122 -14,393 57,785 23,789 1.00 0.00 8 ÁTOMO 4692 3HZ LYS B 122 -15,134 56,665 22,860 1.00 0.00 H ATOMO 4693 N? SP B 123 -7,464 56,040 20,965 1.00 0.20 H ATOM 4694 C? ? SP B 123-6,591 57,040 20,428 1.00 0.20 C ÁTOMO 4695 c? SP B 123 -5,595 57,437 21,470 1.00 0.20 c ATOMO 4696 or? SP B 123 -5,193 58,597 21,556 1.00 0.20 or ATOMO 4697 CB? SP B 123 -7,339 58,273 19,901 1.00 0.20 c ATCMO .4698 CG? SP B 123 -8,044 57,821 18,631 1.00 0.20 c ÁTOMO 4699 OD1? SP B 123 -7.553 56.845 18.001 1.00 0.20 o ATOMO 4700 OD2? SP B 123 -9,081 58,436 18,274 1.00 0.20 01 ÁTOMO 4701 H ASP B 123 -7,659 55,230 20,379 1.00 0.00 H ATOMO 4702 B? ASP B 123 -5.967 56.577 19.640 1.00 0.00 B ATOMO 4703 1HB? SP B 123 -6,613 59,051 19,613 1.00 0.00 H ÁTOMO 4704 2HB ASP B 123 -8,032 58,726 20,624 1.00 0.00 fl ATOMO 4705 H GLY B 124 -5.173 56.462 22.296 1.00 0.17 H ATOMO 4706 C? GLY B 124 -4,147 56,707 23,266 1.00 0.17 C ATOM 4707 c GLY B 124 -4,739 57,254 24,523 1.00 0.17 C ATOM 4708 or GLY B 124 -4,011 57,600 25,454 1.00 0.17 0 ? TCMO 4709 to GLY B 124 -5,500 55,518 22,162 1.00 0.00 H ATCMO 4710 IB? GLY B 124 -3.397 57.414 22.878 1.00 0.00 H ATOM 4711 2B? GLY B 124 -3.641 55.758 23.511 1.00 0.00 H ÁTOMO 4712 N GLU B 125 -6,076 57,350 24,601 1.00 0.24 N ATOM 4713 C? GLU B 125 -6.638 57.879 25.806 1.00 0.24 C ATCMO 4714 c GLU B 125 -7,229 56,729 26,552 1.00 0.24 c ATOMUM 4715 or GLU B 125 -7,934 55,904 25,980 1.00 0.24 or ATOMO 4716 CB GLU B 125 -7.747 58.908 25.S50 1.00 0.24 c ATCMO 4717 CG GLU B 125 -8,099 59,729 26,785 1.00 0.24 c ATOM 4718 CD GLU B 125 -9,183 60,720 26,392 1.00 0.24 c ÁTOMO 4719 OEl GLU B 125 -10,013 60,366 25,512 1.00 0.24 o ATCMO 4720 OE2 GLU B 125 -9,192 61,843 26,962 1.00 0.24 Ol- ATOMO 4721 H GLU B 125 -6,663 57,298 23,773 1.00 0.00 H ATOM 4722 B? GLU B 125 -5,870 58,399 26,400 1.00 0.00 fl ÁTOMO 4723 1HB GLU B 125 -8,638 58,390 25,156 1.00 0.00 B ATCMO 4724 2HB GLU B 125 -7.408 59.599 24.755 1.00 0.00 H ATOMO 4725 1BG GLU B 125 -7,225 60,253 27,203 1.00 0.00 H ATCMO 4726 2HG GLU B 125 -8.494 S9.077 27.582 1.00 0.00 H ATOM 4727 N AL? B 126 -6.967 56.629 27.865 1.00 0.26 H TOMO 4728 C? ALA B 126 -7,483 55,489 28,563 1.00 0.26 μ? TCMO 4729 c ALA B 126 -8,923 55,737 28,870 1.00 0.26 c TCMO 4730 or ALA B 126 -9,257 56,616 29,662 1.00 0.26 0 TCMO 4731 CB ALA B 126 -6,771 55,212 29,898 1.00 0.26 c ÁTOMO 4732 H ALA B 126 -6.347 57.2S8 28.348 1.00 0.00 H ATOM 4733 H? ALA B 126 -7,283 54,612 27,943 1.00 0.00 B ATOM 4734 1HB? L? B 126 -7,245 54,340 30,375 1.00 0.00 8 ÁTOMO 4735 2BB ALA B 126 -5.70B 54,984 29,733 1.00 0.00 8 ATOMO 4736 3HB WING B 126-6.B35 56,063 30,593 1.00 0.00 R ATOM 4737 H LEU B 127 -9,819 54,977 28,210 1.00 0.39 H ATOMO 4738 C? LEO B 127 -11,223 55,120 28,455 1.00 0.39 C ATCMO 4739 c LEU fi 127 -11,504 54,659 29,846 1.00 0.39 C ATOM 4740 or LEU B 127 -12,150 55,361 30,622 1.00 0.39 0 ATCMO 4741 CB LEU B 127 -12,082 54,243 27,532 1.00 0.39 c ATOMO 4742 CG LEU B 127 -11,973 54,616 26,046 1.00 0.39 c ATOM 4743 CDl LEU B 127 -10,541 54,413 25,527 1.00 0.39 c ATOM 4744 CD2 LEO B 127 -13,021 53,865 25,210 1.00 0.39 c ATOMO 4745 H LEU.B 127 -9.482 54.256 27.585 1.00 0.00 B? TCMO 4746 B? LEU B 127 -11,515 56,177 28,359 1.00 0.00 B? TCMO 4747 1BB LEU B 127 -13,130 54,364 27,866 1.00 0.00 B? TOMO 4748 2HB LEU B 127 -11,833 53,177 27,665 1.00 0.00 8 ÁTOMO 4749 BG LEO B 127 -12,194 55,696 26,007 1.00 0.00 8 ÁTOMO 4750 1HD1 LEU B 127.-10,536 53,792 24,623 1.00 0.00 B ATOM 4751 2BD1 LEU B 127 -10,073 55,385 25,396 1.00 0.00 B ÁTOMO 4752 3BD1 LEU B 127 -9,942 53,772 26,170 1.00 0.00 H ATOMO 4753 1BD2 LEU B 127 -12.582 54.000 24.252 1.00 0.00 H ÁTOMO 4754 2BD2 LEO B 127 -13,035 52,790 25,442 1.00 0.00 8 ÁTOMO 4755 3HD2 LEU B 127 -14,037 54,274 25,281 1.00 0.00 H? TCMO 4756 H LYS B 128 -11,008 53,457 30,209 1.00 0.43 H TOMO 4757 C? LYS B 128 -11,294 52,985 31,530 1.00 0.43 c? VOLUME 475B C LYS B 128 -10,216 52,042 31,948 1.00 0.43 C? TCMO 4759 OR LYS B 128 -9,524 51,449 31,122 1.00 0.43 0? TCMO 4760 CB LYS B 128 -12,614 52,207 31,641 1.00 0.43 c ATCMO 4761 CG LYS B 128 -12,560 50,838 30,960 1.00 0.43 c ATOM 4762 CD LYS B 128 -13,718 49,918 31,350 1.00 0.43 c ATOM 4763 CB LYS B 128 -13,540 48,478 30,872 1.00 0.43 c ATOM 4764 NZ LYS B 128 -12,447 47,835 31,635 1.00 0.43 N1 + ATCMO 4765 H LYS B 128 -10,327 52,978 29,647 1.00 0.00 H ATOM 4766 H? LYS B 128 -11,296 53,843 32,227 1.00 0.00 a ÁTOMO 4767 1HB LYS B 128 -13,445 52,810 31,235 1.00 0.00 a TCMO 4768 2BB LYS B 128 -12.825 52.073 32.717 1.00 0.00 a ATOM 4769 1HG LYS B 128 -11,647 50,306 31,271 1.00 0.00 H ÁTOMO 4770 2HG LYS B 128 -12,473 50,978 29,880 1.00 0.00 a ÁTOMO 4771 ÍHD LYS B 128 -14,667 50,313 30,950 1.00 0.00 a? TCMO 4772 2HD LYS B 128 -13,841 49,922 32,449 1.00 0.00 a ATOMUM 4773 1HB LYS B 128 -13,239 48,443 29,841 1.00 0.00 a ATOM 4774 2BS LYS B 128 -14,468 47,942 31,072 1.00 0.00 a ÁTOMO 4775 1BZ LYS B 128 -12.368 46.844 31.429 1.00 0.00 a ÁTOMO 4776 2flZ LYS B 128 -11,541 48,241 31,441 1.00 0.00 B ÁTOMO 4777 3HZ LYS B 128 -12.592 47.889 32.634 1.00 0.00 a ATCMO 4778 N TYR B 129 -10,043 51,906 33,275 1.00 0.26 N ATOM 4779 C? TYR B 129 -9,095 50,989 33,832 1.00 0.26 C ATOM 4780 c TYR B 129 -9,784 50,262 34,940 1.00 0.26 c ATOMUM 4781 or TYR B 129 -10,405 50,879 35,803 1.00 0.26 0 ATOM 4782 CB TYR B 129 -7,861 51,683 34,435 1.00 0.26 c ATOM 4783 CG TYR B 129 -7,171 SO.706 35,325 1.00 0.26 c ATOM 4784 CDl TYR B 129 -6,375 49,701 34,823 1.00 0.26 c ATOM 4785 CD2 TYR B 129 -7,327 50,815 36,687 1.00 0.26 c ATCMO 4786 CEI TYR B 129 -5,750 48,816 35,674 1.00 0.26 c ATOM 4787 CE2 TYR B 129 -6,707 49,936 37,540 1.00 0.26 c ATCMO 4788 CZ TYR B 129 -5.916 48.935 37.035 1.00 0.26 c ATCMO 4789 OH TYR B 129 -5.283 48.036 37.916 1.00 0.26 or ATCMO 4790 E TYR B 129 -10,607 52,393 33,952 1.00 0.00 H ATCMO 4791 H? TYR B 129 -8,771 50,291 33,049 1.00 0.00 B? TCMO 4792 1HB TYR B 129 -8,174 52,568 35,013 1.00 0.00 a? TCMO 4793 2HB TYR B 129 -7,213 52,072 33,637 1.00 0.00 B ATOM 4794 HDl TYR B 129 -6,453 49,410 33,799 1.00 0.00 B ATOM 4795 HD2 TYR B 129 -7.952 51,605 37,097 1.00 0.00 B ATCMO 4796 BEI TYR B 129 -5.114 48.061 35.238 1.00 0.00 B ATOM 4797 BE2 TYR B 129 -6,841 50,075 38,607 1.00 0.00 H ATOM 4798 BB TYR B 129 -5,832 47,984 38,711 1.00 0.00 H ATOMO 4799 N TRP B 130 -9,712 48,916 34,931 1.00 0.16 N ATCMO 4800 C? TRP B 130 -10,311 48,181 36,006 1.00 0.16 C ATOMO 4801 c TRP B 130 -9,437 46,987 36,219 1.00 0.16 c ÁTOMO 4802 0 TRP B 130 -8.929 46.405 35.261 1.00 0.16 0 ÁTOMO 4803 CB TRP B 130 -11,716 47,655 3S,683 1.00 0.16 c ATOM 4804 CG TRP B 130 -12,467 47,127 36,882 1.00 0.16 c ATOMO 4805 CDl TRP B 130 -12.409 45.906 37.486 1.00 0.16 c ATCMO 4806 CD2 TRP B 130 -13,463 47,882 37,588 1.00 0.16 c ATCMO 4807 NEI TRP B 130 -13,299 45,859 38,532 1.00 0.16 N ATOMO 4808 CE2 TRP B 130 -13.957 47.066 38.603 1.00 0.16 c ATOMO 4809 CE3 TRP B 130 -13.932 49,151 37.402 1.00 0.16 c ATCMO 4810 CZ2 TRP B 130 -14,932 47,506 39,452 1.00 0.16 c ÁTOMO 4811 CZ3 TRP B 130 -14,913 49,593 38,264 1.00 0.16 c ATCMO 4812 CB2 TRP B 130 -15,404 48,787 39,270 1.00 0.16 c ÁTOMO 4813 8 TRP B 130 -9.108 48.407 34.292 1.00 0.00 k ATOMUM 4814 B? TRP B 130 -10,329 48,805 36,916 1.00 0.00 8 ÁTOMO 4815 1HB TRP B 130 -11,622 46,878 34.909 1.00 0.00 ^? VOLUME 4816 2HB TRP B 130 -12,306 48,463 35,220 1.00 0.00 8? VOLUME 4817 BD1 TRP 'B 130 -11,644 45,253 37,343 1.00 0.00 8? TCMO 4818 HE1 TRP B 130 - 13,577 45,048 39,057 1.00 0.00 H? TCMO 4819 BE3 TRP B 130 -13,550 49,803 36,623 1.00 0.00 H ÁTOMO 4820 HZ2 TRP B 130 -15,318 46,865 40,242 1.00 0.00 B ÁTOMO 4821 BZ3 TRP B 130 -15,309 50,600 38,152 1.00 0.00 B ATCMO 4822 HH2 TRF B 130 -16,179 49,170 39,930 1.00 0.00 H ATOMUM 4823 N TYR B 131 -9,204 46,599 37,487 1.00 0.17 N TCMO 4824 C? TYR B 131 -8.351 45.465 37.683 1.00 0.17 C ATOM 4825 c TYR B 131 -8,991 44,235 37,120 1.00 0.17 c ATCMO 4826 0 TYR B 131 -8,436 43,582 36,238 1.00 0.17 or ATOMO 4827 CB TYR B 131 -8,087 45,152 39,164 1.00 0.17 c TCMO 4828 CG TYR B 131 -7,166 46,173 39,731 1.00 0.17 c? TCMO 4829 CDl TYR B 131 -7,617 47,428 40,072 1.00 0.17 c? TCMO 4830 CD2 TYR B 131 -5,844 45,857 39,937 1.00 0.17 c? TCMO 4831 CEI TYR B 131. -6.754 48.358 40.602 1.00 0.17 c? TCMO 4832 CE2 TYR B 131 -4.977 46.782 40.465 1.00 0.17 c? VOLUME 4833 CZ TYR B 131 -5.433 48.034 40.800 1.00 0.17 c? TCMO 4834 OB TYR B 131 -4.542 48.984 41.345 1.00 0.17 or ATOM 4835 8 TYR B 131 -9,633 47,043 38,280 1.00 0.00 a TCMO 4836 B? TYR B 131 -7,395 45,633 37,177 1.00 0.00 B ATCMO 4837 1HB TYR B 131 -7,635 44,147 39,216 1.00 0.00 a ÁTOMO 4838 2HB TYR B 131 -9,022 45,099 39,746 1.00 0.00 a ? TOMO 4839 HDl TYR B 131 -8,667 47,686 39,973 1.00 0.00 H ATCMO 4840 HD2 TYR B 131 -5.494 44.854 39.704 1.00 0.00 a? VOLUME 4841 BEI TYR B 131 -7.138 49.337 40.884 1.00 0.00 a? VOLUME 4842 BE2 TYR B 131 -3.963 46.496 40.710 1.00 0.00 B? VOLUME 4843 HH TYR B 131 -5.050 49,530 41,957 1.00 0.00 a ? TOMO 4844 H GLO B 132 -10.189 43.889 37.630 1.00 0.19 N TCMO 4845 C? GLU B 132 -10,842 42,670 37,249 1.00 0.19 c ÁTOMO 4846 C GLU B 132 -11,520 42,727 35,909 1.00 0.19 c ATOMO 4847 or GLU B 132 -11,501 41,741 35,175 1.00 0.19 0 ATOM 4848 CB GLU B 132 -11,851 42,161 38,295 1.00 0.19 c ATOMO 4849 CG GLU B 132 -13,030 43,092 38,565 1.00 0.19 c ? TOMO 4850 CD GLU B 132 -13.838 42.479 39.702 1.00 0.19 c ATOMO 4851 OEl GLU B 132 -14,098 41,248 39,651 1.00 0.19 0 ÁTOMO 4852 OE2 GLU B 132 -14,202 43,236 40,641 1.00 0.19 Ol? VOLUME 4853 B GLU B 132 -10,574 44,356 38,433 1.00 0.00 a? TCMO 4854 B? GLU B 132 -10,066 41,891 37,149 1.00 0.00 a? VOLUME 4855 1BB GLU B 132 -11,321 41,965 39,245 1.00 0.00 8? VOLUME 4856 2HB GLU B 132 -12,189 41,177 37,919 1.00 0.00 8 ATOMO 4857 1HG GLU B 132 -13,639 43,344 37,692 1.00 0.00 8 ÁTOMO 4858 2BG GLO B 132 -12,498 43,899 39,059 1.00 0.00 8? TCMO 4859 H? SH B 133 -12,116 43,878 35,539 1.00 0.18 N ATOM 4860 C? ? SH B 133 -12.974 43.903 34.382 1.00 0.18 C ATOMO 4861 c? SH B 133 -12.209 43.857 33.098 1.00 0.18 c ? TOMO 4862 or? SH B 133 -11.487 44.786 32.738 1.00 0.18 or ? TOMO 4863 CB? SH B 133 -13.907 45.129 34.320 1.00 0.18 c? TCMO 4864 CG? SH B 133 -14.988 44.843 33.284 1.00 0.18 c? TCMO 486S OD1? SN B 133 -14.893 43.882 32.522 1.00 0.18 0 ATOM 4866 ND2? SN B 133 -16,041 45,704 33,248 1.00 0.18 N ATOMUM 4867 H? SN B 133 -12.148 44.684 36.122 1.00 0.00 H TCMO 4868 B? ? SN B 133 -13,641 43,023 34,482 1.00 0.00 a ÁTOMO 4869 1HB? SN B 133 -13,387 46,056 34,048 1.00 0.00 a ATOMUM 4870 2HB? SN B 133 -14.388 45.278 35.302 1.00 0.00 a ATOMO 4871 1HD2 ASH B 133 -16,148 46,456 33.904 1.00 0.00 a ATOMUM 4872 2HD2? SN B 133 -16,734 45,541 32,536 1.00 0.00 8 ATOMUM 4873 H BXS B 134 -12,358 42,718 32,393 1.00 0.16 N ATOM 4874 C? BXS B 134 -11,782 42,426 31,111 1.00 0.16 C ÁTOMO 4875 c HTS B 134 -12,510 43,153 30,020 1.00 0.16 c ATOMO 4876 OR HXS B 134 -11.908 43.530 29.016 1.00 0.16 or? TCMO 4877 CB HXS B 134 -11.84S 40.927 30.781 1.00 0.16 c? VOLUME 4878 CG HXS B 134 -11.133 40.093 31.803 1.00 0.16 c TOMO 4879 ND1 BTS B 134 -9,767 39,912 31,837 1.00 0.16 N ATCMO 4880 CD2 HIS B 134 -11,627 39,390 32,858 1.00 0.16 C ATOMO 4881 CEI BIS B 134 -9,506 39,115 32.903 1.00 0.16 C ATOMO 4882 HE2 HXS B 134 -10,603 38,772 33,554 1.00 0.16 N ATCMO 4883 H HXS B 134 -12,816 41,946 32.852 1.00 0.00 ATOMO μ 4884 B? HTS B 134 -10,736 42,768 31,094 1.00 0.00 H ÁTOMO 4885 1HB HIS B 134 -11,406 40,786 29,778 1.00 0.00 B ATOM 4886 2KB HXS B 134 -12,890 40,590 30,715 1.00 0.00 B ATONO 4887 BD2 HIS B 134 -12,657 39,288 33,175 1.00 0.00 B ÁTOMO 48B8 HE1 HIS B 134 -8,543 38,682 33,088 1.00 0.00 H ÁTOMO 4889 HE2 HIS B 134 -10,667 38,227 34,389 1.00 0.00 H ATOMO 4890 N? SN B 135 -13,835 43,359 30,179 1.00 0.14 N ATOMO 4891 C? ? SN B 135 -14,631 43,884 29,100 1.00 0.14 C ATCMO 4892 c? SN B 135 -14,941 45,332 29.306 1.00 0.14 c ATOMUM 4893 or? SN B 135 -14,867 45,856 30,416 1.00 0.14 or ÁTOMO 4894 CB? SN B 135 -15.986 43,176 28,963 1.00 0.14 c ATOMUM 4895 CG? SN B 135 -15,720 41,710 28.66S 1.00 0.14 c ? TOMO 4896 OD1? SN B 135 -15,032 41,368 27.704 1.00 0.14 b ATOMO 4897 HD2? SN B 135 -16.270 40.813 29.S28 1.00 0.14 H ÁTOMO 4898 H? SN B 135 -14,277 43,286 31,091 1.00 0.00 B ATOMO 4899 HA? SN B 135 -14,091 43,740 28,156 1.00 0.00 B ATOMO 4900 1HB? SH B 135 -16.465 43.667 28.112 1.00 0.00 H ATCMO 4901 2BB? SH B 135 -16.609 43.336 29.857 1.00 0.00 B ÁTOMO 4902 1BD2? SH B 135 -16.809 41.103 30.323 1.00 0.00 B ÁTOMO 4903 2BD2? SH B 135 -16,088 39,839 29,364 1.00 0.00 B ÁTOMO 4904 N XLE B 136 -15,270 46,020 28,190 1.00 0.19 N ATOM 4905 C? XLE B 136 -15,665 47,399 28,207 1.00 0.19 C ÁTOMO 4906 c XLB B 136 -16.831 47.525 27.279 1.00 0.19 c ATOMO 4907 or XLB B 136 -16,909 46,824 26,272 1.00 0.19 or ATOM 4908 CB XLB B 136 -14,612 48,337 27,694 1.00 0.19 c ÁTOMO 4909 CGl XLB B 136 -15,014 49,796 27,966 1.00 0.19 c ÁTOMO 4910 CG2 XLE B 136 -14,381 48,022 26,207 1.00 0.19 c ATOM 4911 CDl XLB B 136 -13,874 50,789 27,751 1.00 0.19 c ÁTOMO 4912 H XLE B 136 -15.313 45.5S9 27.283 1.00 0.00 B ATOM 4913 B? XLB B 136 -15.976 47.652 29.234 1.00 0.00 B ATCMO 4914 BB XLE B 136 -13,653 48,104 28,141 1.00 0.00 a ATCMO 4915 1BG1 ILB B 136 -15,391 49,896 28,996 1.00 0.00 a ATOM 4916 2BG1 ILB B 136 -15,848 50,096 27.307 1.00 0.00 B ATCMO 4917 1BG2 XLE B 136 -13.544 48.610 25.812 1.00 0.00 B ATCMO 4918 2BG2 XLB B 136 -14,172 46,948 26,193 1.00 0.00 B ÁTOMO 4919 3BG2 XLE B 136 -15,231 48,283 25,560 1.00 0.00 B ÁTOMO 4920 1BD1 XLE B 136 -14,060 51,752 28,250 1.00 0.00 B ÁTOMO 4921 2BD1 XLE B 136 -12,927 50,375 28.101 1.00 0.00 B ATOM 4922 3BD1 11? B 136 -13,745 50,990 26,675 1.00 0.00 B ATOMUM 4923 H SER B 137 -17,788 48,414 27.604 1.00 0.24 N ATOM 4924 C? SER B 137 -18.920 48.568 26.741 1.00 0.24 C ATOMUM 4925 C SBR B 137 -19203 50,029 26,610 1.00 0.24 c? TCMO 4926 or SER B 137 -19.102 50,781 27,577 1.00 0.24 or? TOMO 4927 CB SER B 137 -20,185 47,894 27,299 1.00 0.24 c ATOMO 4928 OG SER B 137 -21,276 48,071 26,411 1.00 0.24 o ÁTOMO 4929 H SER B 137 -17,726 49,066 28,368 1.00 0.00 H ATOM 4930 B? SER B 137 -18,674 48,121 25,782 1.00 0.00 H ATOMO 4931 1HB SER B 137 -20.436 48.283 28.302 1.00 0.00 H ÁTOMO 4932 2BB SER B 137 -20,027 46,813 27,395 1.00 0.00 B ATOMO 4933 BG SER B 137 -21.483 49.017 26.401 1.00 0.00 H ÁTOMO 4934 H ILE B 138 -19,553 50,475 25,389 1.00 0.31 ATOM 4935 C? XLB B 138 -19,872 51,857 25,203 1.00 0.31 ATOM 4936 c XLE B 138 -21,299 51,893 24,779 1.00 0.31 μ ATOMO 4937 or XLE B 138 -21,688 51,253 23,804 1.00 0.31? TCMO 4938 CB XLE B 138 -19,075 52,508 24,114 1.00 0.31? VOLUME 4939 CGl XLE B 138 -17,571 S2.40S 24,424 1.00 0.31? VOLUME 4940 CG2 XLB B 138 -19,578 53,954 23,962 1.00 0.31? TOMO 4941 CDl XLB B 138 -16,674 52,719 23,229 1.00 0.31 μ? VOLUME 4942 H XLB B 138 -19,600 49,853 24,587 1.00 0.00 H? VOLUME 4943 H? XLE B 138 -19,710 52,421 26,135 1.00 0.00 H ATOMo 4944 HB XLE B 138 -19,268 52,008 23,155 1.00 0.00 H ATOMo 4945 1BG1 XLE B 138 -17.316 51.376 24.735 1.0Q 0.00 H ATOMo 4946 2BG1 XLE B 138 -17.308 53,049 25,281 1.00 0.00 B ATCMo 4947 1HG2 XLE B 138 -18,854 54,629 23,492 1.00 0.00 H ÁTOMO 4948 2HG2 XLE B 138 -20,505 54,001 23,368 1.00 0.00 H ÁTOMO 4949 3HG2 XLE B 138 -19.788 54.411 24.944 1.00 0.00 k ÁTOMO 4950 1BD1 XLE B 138 -15,696 52,223 23,340 1.00 0.00 k ÁTOMO 4951 2BD1 ILE B 138 -17,111 52,364 22,288 1.00 0.00 H ATCMO 4952 3HD1 XLE B 138 -16,455 53,793 23,163 1.00 0.00 k ATOMUM 4953 H TBR B 139 -22,134 52,652 25,502 1.00 0.40 N ATOMO 4954 C? THR B 139 -23.515 52.679 25.136 1.00 0.40 μ ATOMO 4955 C THR B 139 -23,749 53,927 24,359 1.00 0.40 c ATOMO 49S6 OR THR B 139 -23,036 54,914 24,535 1.00 0.40 P ÁTOMO 4957 CB THR B 139 -24,443 52,677 26,311 1.00 0.40 ÁTOMO 4958 OGl THR B 139 -24,163 53,789 27,147 1.00 0.40 ATOMO 4959 CG2 THR'B 139 -24,261 51,362 27,085 1.00 0.40 c ÁTOMO 4960 H THR B 139 -21,877 53,234 26,282 1.00 0.00 k ATOM 4961 B? THR B 139 -23,767 51,798 24,523 1.00 0.00 a ATOMO 4962 BB THR B 139 -25,487 52,734 25,945 1.00 0.00 k ATCMO 4963 BG1 THR B 139 -24,403 54,588 26,652 1.00 0.00 ATOM 4964 1BG2 THR B 139 '-24,978 51,292 27,920 1.00 0.00 μ ATCMO 4965 2HG2 THR B 139 -24,420 50,485 26,436 1.00 0.00 B ÁTOMO 4966 3BG2 TBR B 139 -23,251 51,293 27,520 1.00 0.00 H ATOMUM 4967 H? SN B 140 -24,763 53,894 23,470 1.00 0.29 N TCMO 4968 C? ? SN B 140 -25,086 55,022 22,647 1.00 0.29 C ATOMO 4969 C? SH B 140 -23.840 55.522 21.994 1.00 0.29 c ATOM 4970 O? SN B 140 -23,385 56,631 22,272 1.00 0.29 b ATCMO 4971 CB? SH B 140 -25. ATON 4972 CG ASN B 140 -27. ATCMO 4973 OD1? SN B 140 -27. ATCMO 4974 ND2 ASN B 140 -28,154 56,419 23,222 1.00 0.29 N ATOM 4975 H ASH B 140 -25. 53,083 23,363 1.00 0.00 H ATCMO 4976 B? ? SH B 140 -25,796 54,687 21,874 1.00 0.00 fl ATCMO 4977 IHB? SH B 140 -25,766 57,075 22,770 1.00 0.00 H ATOMO 4978 28B? SH B 140 -25.173 56.460 24.334 1.00 0.00 H? VOLUME 4979 1HD2? SH B 140 -27.995. 57,144 22,547 1.00 0.00 H ? TOMO 4980 2HD2? SN B 140 -29,087 56,156 23,487 1.00 0.00 H? TCMO 4981 N AL? B 141 -23,250 54,699 21.107 1.00 0.26 N ATOM .4982 C? ALA B 141 -22,029 55,068 20,453 1.00 0.26 C ATOM 4983 c? L? B 141 -22,269 56,305 19,652 1.00 0.26 C ATCMO 4984 or ALA B 141 -23,383 56,573 19,206 1.00 0.26 O ATOMO 4985 CB AL? B 141 -21,490 53,988 19,499 1.00 0.26 c ATOMO 4986 H? L? B 141 -23.587 53.762 20.926 1.00 0.00 H ATCMO 4987 B? A A B 141 -21.258 5S.2S8 21.225 1.00 0.00 H ATOMO 4988 1HB AL? B 141 -20,549 54,340 19,046 1.00 0.00 H ATOM 4989 2HB? L? B 141 -21,267 53,060 20,048 1.00 0.00 H ATOM 4990 3KB? L? B 141 -22,201 53,762 18,690 1.00 0.00 H ATOM 4991 N THR B 142 -21,198 57,103 19,475 1.00 0.35 N ATCMO 4992 C? THR B 142 -21,277 58,331 18,746 1.00 0.35 C TCMO 4993 C THR B 142 -20,122 58,368 17,797 1.00 0.35 c ATOM 4994 OR THR B 142 -19,288 57,465 17,779 1.00 0.35 or ATOMO 4995 CB THR B 142 -21.175 59.547 19.617 1.00 0.35 c ATCMO 4996 OG1 THR B 142 -21.424 60.721 18.859 1.00 0.35 or ATOM 4997 CG2 THR B 142 -19,764 59,596 20,230 1.00 0.35 c ATCMO 4998 H THR B 142 -20.268 56.794 19.709 1.00 0.00 H ATOM 4999 H? TBR B 142 -22,202 58,374 18,164 1.00 0.00 H ? TOMO 5000 BB TBR B 142 -21.924 59.484 20.430 1.00 0.00 H ? TOMo S001 BG1 THR B 142 -20.924 61.441 19.314 1.00 0.00 H TCMO 5002 1HG2 THR B 142 -19,677 60,411 20,966 1.00 0.00 H ATOM 5003 2HG2 THR B 142 -19,545 58,677 20,799 1.00 0.00 H ATOM 5004 3HG2 THR B 142 -19,002 59,711 19,495 1.00 0.00 H ÁTOMO 5005 N VAL B 143 -20,067 59,427 16,968 1.00 0.29 H TOMO 5006 C? VAL B 143 -19,038 59,595 15,985 1.00 0.29 C ? TOMO 5007 c VAL B 143 -17,723 59,745 16,680 1.00 0.29 C ATCMQ 5008 or VAL B 143 -16,696 59,265 16,203 1.00 0.29 O ATCMO 5009 CB VAL B 143 -19,256 60,803 15,127 1.00 0.29 C ÁTOMO 5010 CGl VAL B 143 -18,096 60,900 1 .122 1.00 0.29 c ATOM 5011 CG2 VAL B 143 -20,644 60,686 14,470 1.00 0.29 c ÁTOMO 5012 B VAL B 143 -20,761 60,162 17,079 1.00 0.00 H ATOM 5013 B? VAL B 143 -18,850 58,830 15,329 1.00 0.00 H ATOM 5014 BB VAL B 143 -19,249 61,727 15,730 1.00 0.00 H ÁTOMO 5015 1BG1 VAL B 143 -18,282 61,693 13,377 1.00 0.00 H ATOMo 5016 2HG1 VAL B 143 -17,142 61,156 14.609 1.00 0.00 H ATCMo 5017 3BG1 VAL B 143 -17.963 59.961 13.559 1.00 0.00 a ATCMo 5018 -LHG2 VAL B 143 -20,742 61,326 13,578 1.00 0.00 H ÁTOMO 5019 2HG2 VAL B 143 -20,859 59,656 14,167 1.00 0.00 8? TCMO 5020 3HG2 VAL B 143 -21,447 60,987 15,163 1.00 0.00 H? TCMO 5021 N GLU B 144 -17,728 60,414 17,845 1.00 0.25 N? TCMO 5022 C? GLU B 144 -16.522 60.650 18.585 1.00 0.25 C ATOM 5023 c GLU B 144 -15,953 59,324 18,969 1.00 0.25 μ ATOM 5024 or GLU B 144 -14,738 59,159 19,072 1.00 0.25 or ATOM 5025 CB GLU B 144 -16,760 61,452 19,874 1.00 0.25 c ÁTOMO 5026 CG GLO B 144 -17.200 62.889 19.597 1.00 0.25 c ATOM 5027 CD GLU B 144 -18,626 62,836 19,072 1.00 0.25 c ATCMo 5028 OEl GLO B 144 -19,542 62,548 19,886 1.00 0.25 or ATOMo 5029 OE2 GLU B 144 -18.817 63.075 17.849 1.00 0.25 01- ATOMO 5030 to GLU- B 144 -18.487 61.065 18.039 1.00 0.00 B ATOM 5031 B? GLU B 144 -15,773 61,169 17,962 1.00 0.00 H TCMO 5032 1BB GLU B 144 -15,791 61,461 20,406 1.00 0.00 H ÁTOMO 5033 2HB GLO B 144 -17,460 60,941 20,552 1.00 0.00 B ÁTOMO 5034 1HG GLU B 144 -16,520 63,373 18,878 1.00 0.00 B ATOMO 5035 2BG GLU B 144 '-17.181 63.464 20.537 1.00 0.00 H ATCMO 5036 N? SP B 145 -16,834 58,331 19,171 1.00 0.22 N ATOM 5037 C? ? SF B 145 -16.438 57.030 19.619 1.00 0.22 C ? TOMO 5038 C? SP B 145 -15,451 56,448 18,657 1.00 0.22 C? TOMO 5039 O? SP B 145 -14,495 55,797 19,079 1.00 0.22 O? TCMO 5040 CB? SP B 145 -17,632 56,064 19,718 1.00 0.22 c ATOMO 5041 CG? SP B 145 -17,196 54,793 20,435 1.00 0.22 c? TCMO 5042 ODl? SP B 145 -16,201 54,160 19.992 1.00 0.22 0 ATCMO 5043 OD2? SF B 145 -17.856 54.442 21.448 1.00 0.22 Ol ÁTOMO 5044 H? SP B 145 -17,800 58,450 18,901 1.00 0.00 H ATOM 5045 H? ? SP B 145 -15.940 57.121 20.598 1.00 0.00 B ATCMO 5046 1HB? SP B 145 -17.956 55.760 18.717 1.00 0.00 B ATOM 5047 2BB? SF B 145 -18,467 56,523 20,264 1.00 0.00 B ATOMO 504B N SER B 146 -15,638 56,670 17,341 1.00 0.20 N ATOMO 5049 C? BE B 146 -14,748 56,087 16,374 1.00 0.20 C ÁTOMO 5050 c SER B 146 -13.344 56.482 16.696 1.00 0.20 c ATOM 5051 or SER B 146 -13,085 57,579 17,191 1.00 0.20 or ÁTOMO 5052 CB SER B 146 -15,037 56,523 14.926 1.00 0.20 c ATOMO 5053 OG SER B 146 -14,798 57,915 14,780 1.00 0.20 0 ÁTOMO 5054 H SBR B 146 -16,339 57,340 17,064 1.00 0.00 a ATOM S055 B? BE B 146 -14,867 54,991 16,450 1.00 0.00 B ATCMO S056 1HB SER B 146 -16,065 56,298 14,651 1.00 0.00 a ATCMO 5057 2KB SER B 146 -14,320 56,051 14,248 1.00 0.00 B ATCMO 5058 HG SER B 146 -15,343 58,395 15,432 1.00 0.00 B ÁTOMO 5059 H GLY B 147 -12,394 55,561 16,442 1.00 0.21 N ATCMO 5060 C? GLY B 147 -11,020 55,841 16,735 1.00 0.21 c ATOM 5061 C GLY B 147 -10,301 54,535 16,762 1.00 0.21 c ATOM 5062 OR GLY B 147 -10,814 53,517 16,299 1.00 0.21 0 ATOMO 5063 H GLY B 147 -12,613 54,654 16,041 1.00 0.00 fl ATONO 5064 lfl? GLY B 147 -10,942 56,340 17,716 1.00 0.00 H ATOMO 5065 2HA GLY B 147 -10.567 56.502 15.975 1.00 0.00 H ATOM 5066 H TBR B 148 -9,071 54,538 17,306 1.00 0.17 N ATOM 5067 C? TBR B 148 -8,323 53,322 17,360 1.00 0.17 C ATOM 5068 C TBR B 148 -8,332 52,870 18,779 1.00 0.17 C ATOM 5069 OR TBR B 148 -8,106 53,661 19,694 1.00 0.17 0 ATOMO 5070 CB THR B 148 -6,895 53,491 16,948 1.00 0.17 c ATCMO 5071 OG1 TBR B 148 -6,829 53,999 15,623 1.00 0.17 0 ATOM 5072 CG2 THR B 148 -6,209 52,120 17,013 1.00 0.17 c ATOMO 5073 a THR B 148 -8,624 55,388 17,678 1.00 0.00 B ATCMO 5074 B? THR B 148 -8,767 52,588 16,674 1.00 0.00 B ATOM 5075 BB TBR B 148 -6,364 54,181 17,632 1.00 0.00 B ÁTOMO S076 BG1 THR B 148 -7,244 54,874 15,660 1.00 0.00 fl ÁTOMO 5077 1HG2 THR B 148 -5.147 52.241 16.751 1.00 0.00 H ÁTOMO 507B 2HG2 THR B 148 -6,308 51,719 18,025 1.00 0.00 B ÁTOMO 5079 3HG2 THR B 148 -6,655 51,422 16,289 1.00 0.00 B ATCMO 5080 H TYR B 149 -8,616 51,574 19,001 1.00 0.12 N ATOM 5081 C? TYR B 149 -8,660 51,076 20,343 1.00 0.12 C ATOM 5082 c TYR B 149 -7,643 49,994 20,494 1.00 0.12 C ATOM 5083 or TYR B 149 -7,419 49,197 19,586 1.00 0.12 0 ATOM 5084 CB TYR B 149 -9,999 50,428 20,732 1.00 0.12 c ATOM 5085 CG TYR B 149 -11,045 51,479 20,866 1.00 0.12 c ATOM 5086 CDl TYR B 149 -11,674 51,998 19,759 1.00 0.12 c ATOM 5087 CD2 TYR B 149 -11,402 51,932 22,113 1.00 0.12 c ATCMo 5088 CEI TYR B 149 -12,644 52,962 19,899 1.00 0.12 c ATOM 5089 CI2 TYR B 149 -12,372 52,895 22,260 1.00 0.12 c ATCMO 5090 CZ TYR B 149 -12,993 53,412 21,150 1.00 0.12 c ATOM 5091 OH TYR B 149 -13,989 54,400 21,293 1.00 0.12 or ATOM 5092 H TYR B 149 -8,796 50,923 18,245 1.00 0.00 B ATCMO 5093 B? TYR B 149 • -8,441 51,899 21,010 1.00 0.00 B ATOMO 5094 1KB TYR B 149 -9,845 49,950 21,708 1.00 0.00 B ATOM 5095 2KB TYR B 149 -10,289 49,654 20,005 1.00 0.00 B? TCMO 5096 HD l TYR B 149 -11,402 51,655 18,764 1.00 0.00 H? TCMO 5097 HD2 TYR B 149 -10,961 51,469 22,992 1.00 0.00 H? VOLUME 5098 BBl TYR B 149 -13,123 53,373 19,011 1.00 0.00 B ATOM 5099 BB2 TYR B 149 -13,003 52,773 23,120 1.00 0.00 B ATOMO 5100 HH TYR B 149 -14,641 54,316 20,555 1.00 0.00 B ATOM 5101 H TYR'B 150 -6.9B0 49,968 21,666 1.00 0.12 H ATCMO 5102 C? TYR B 150 -6,072 48,906 21,976 1.00 0.12 c ? TCMO 5103 C TYR B 150 -6.1B3 48,678 23,446 1.00 0.12 C ATOMO 5104 OR TYR B 150 -6,750 49,497 24,169 1.00 0.12 0 ATOMO 5105 CB TYR B 150 -4,574 49,181 21,581 1.00 0.12 c ATOMO 5106 CG TYR B 150 * -4,087 50,632 21,583 1.00 0.12 C ATOM 5107 CDl TYR B 150 -2,898 50,942 22,234 1.00 0.12 c ATOMO 5108 CD2 TYR B 150 -4,656 51,650 20,809 1.00 0.12 c ATOM 5109 CEI TYR B 150 -2,277 52,174 22,099 1.00 0.12 c ATOM 5110 CE2 TYR B 150 -4,087 52,909 20,709 1.00 0.12 c ATOM 5111 CZ TYR B 150 -2,865 53,188 21,343 1.00 0.12 c ATOMO 5112 OH TYR B 150 -2,303 54,417 21,177 1.00 0.12 0 ATOM 5113 fl TYR B 150 -7,179 50,628 22,407 1.00 0.00 B? TCMO 5114 B? TYR B 150 -6.417 47.983 21.478 1.00 0.00 a ? TOMO 5115 1HB TYR B 150 -4.376 48.771 20.583 1.00 0.00 8 TOMO 5116 2HB TYR B 150 -3.930 48.575 22.238 1.00 0.00 8 ATCMO 5117 HDl TYR B 150 -2,411 50,183 22,843 1.00 0.00 8 ATCMO 5118 HD2 TYR B 150 -5.552 51.456 20.231 1.00 0.00 H ATOM 5119 HE1 TYR B 150 -1.312 52.306 22.582 1.00 0.00 B ATOMO 5120 HE2 TYR B 150 -4,566 53,669 20,094 1.00 0.00 B ATCMO 5121 HH TYR 8 150 -1,388 54,382 21,485 1.00 0.00 B ATOM 5122 H CYS B 151 -5,668 47,538 23,936 1.00 0.27 H ATOMO 5123 C? CYS B 151 -5,851 47,259 25,325 1.00 0.27 C ATOMO .5124 c CYS B 151 -4,536 46,869 25,912 1.00 0.27 C? TCMO 5125 0 CYS B 151 -3,648 46,384 25,215 1.00 0.27 0? VOLUME 5126 CB CYS B 151 -6,843 46,104 25,548 1.00 0.27 c ATOMO 5127 SG CYS B 151 -7,171 45,727 27,291 1.00 0.27 s ATOM 5128 H CYS B 151 -5,059 46,930 23,420 1.00 0.00 H ATOM 5129 B? CYS B 151 -6,218 48,148 25,849 1.00 0.00 8 ATOM 5130 1BB CYS B 151 -6,499 45,191 25,037 1.00 0.00 B ATOM 5131 2HB CYS B 151 -7,796 46,404 25,083 1.00 0.00 8 ? TOMO S132 H TBR B 152 -4,373 47,128 27,222 1.00 0.37 H ? TOMO 5133 C? THR B 152 -3.202 46.713 27.934 1.00 0.37 C ATOMO 5134 c THR B 152 -3,659 45,920 29.104 1.00 0.37 C ? TCMO 513S or TBR B 152 -4.747 46,133 29,635 1.00 0.37 or? VOLUME 5136 CB TBR B 152 -2,327 47,824 28,434 1.00 0.37 c? VOLUME 5137 OG1 TBR B 152 -3.105 48.812 29.091 1.00 0.37 0 TCMO 5138 CG2 THR B 152 -1,524 48,412 27,271 1.00 0.37 c ? VOLUME 5139 H THR B 152 -5,082 47,588 27,778 1.00 0.00 H ATOMO 5140 B? THR B 152 -2,623 46,045 27,283 1.00 0.00 B ? TOMO 5141 BB TBR B 152 -1.602 47,395 29,156 1.00 0.00 H? VOLUME 5142 HG1 THR B 152 -2.5S3 49,611 29,152 1.00 0.00 H ATOM 5143 1HG2 THR B 152 -0,892 49,248 27,611 1.00 0.00 B ATOM 5144 2BG2 THR B 152 -0.852 47,655 26,850 1.00 0.00 a ATOM 514S 3BG2 TBR B 152 -2,185 48,790 26,476 1.00 0.00 B ATOM 5146 H GLY B 153 -2,829 44,947 29,520 1.00 0.21 N ATOM 5147 C? GLY B 153 -3,195 44,136 30,637 1.00 0.21 c ? TOMO 5148 c GLY B 153 -1.974 43.392 31.040 1.00 0.21 c ATOM 5149 or © LY B 153 -1,021 43,278 30,271 1.00 0.21 or ATOMo 5150 B GLY B 153 -1.886 44.837 29.146 1.00 0.00 B ATOM 5151 lH? GLY B 153 -3,993 43,422 30,370 1.00 0.00 B ATOM 5152 2B? GLY B 153 -3.543 44.766 31.450 1.00 0.00 fl ? TCMO 5153 H LYS B 154 -1.972 42.860 32.275 1.00 0.12 N ? TOMo 5154 C? LYS B 154 -0.807 42.155 32.702 1.00 0.12 c ATOM 5155 c LYS B 154 -1,155 40,715 32,821 1.00 0.12 c ATOM 5156 or LYS B 154 -2,059 40,336 33,565 1.00 0.12 or ? TOMO 5157 CB LYS B 154 -0.290 42.601 34.077 1.00 0.12 c ? TOMo 5158 CG LYS B 154 0.176 44.056 34.106 1.00 0.12 c ? TOMo 5159 CD LYS B 154 0.395 44.591 35.521 1.00 0.12 c ATCMo 5160 CB LYS B 154 0.863 46.048 35.557 1.00 0.12 c ATOM 5161 NZ LYS B 154 1,046 46,488 36,959 1.00 0.12 N1 + ATOM 5162 H LYS B 154 -2,733 42,972 32,935 1.00 0.00 H ATCMO 5163 H? LYS B 154 -0.031 42.235 31.958 1.00 0.00 H ÁTOMO 5164 1HB LYS B 154 0.526 41.927 34.362 1.00 0.00 H ATOM 5165 2HB LYS B 154 -1,176 42,511 34,684 1.00 0.00 B ATOM 5166 1BG LYS B 154 -0.548 44.710 33.586 1.00 0.00 H ATOM 5167 2BG LYS B 154 1,115 44,114 33,543 1.00 0.00 H ATCMO 5168 ÍHD LYS B 154 1,072 43,927 36,083 1.00 0.00 H ATOM 5169 2HD LYS B 154 -0.602 44,565 35,950 1.00 0.00 H ÁTOMO 5170 1HB LYS B 154 0.129 46.719 35.080 1.00 0.00 H ATOMO 5171 2HB LYS B 154 1,829 46,180 35,041 1.00 0.00 fl ATOM 5172 1BZ LYS "B 154 1,435 47,422 36,999 1.00 0.00 H ATOMO 5173 2HZ LYS B 154 0.179 46.508 37.465 1.00 0.00 H ATOM 5174 3HZ LYS B 154 1,701 45,889 37,446 1.00 0.00 H ATOM 5175 N VAL B 155 -0,441 39,872 32,056 1.00 0.20 N ATOM 5176 C? VAL B 155 -0.620 38.462 32.171 1.00 0.20 C ATOMO 5177 c VAL B 155 0.646 37,984 32.782 1.00 0.20 C ATOM 5178 0 VAL B 155 1,735 38,387 32,374 1.00 0.20 0 ATOMO 5179 CB VAL B 155 -0.804 37,761 30,854 1.00 0.20 Cl ? TOMO 5180 CGl VAL B 155 -2,117 38.2S4 30,221 1.00 0.20 Cl ATOM 5181 CG2 VAL B 155 0.439 38.013 29.983 1.00 0.20 Cl ATCMO 5182 B VAL B 155 0.465 40.165 31.706 1.00 0.00 8 ATOMO 5183 B? VAL B 155 -1.474 38.239 32.829 1.00 0.00 H ATOM 5184 BB VAL 155 -0.898 36.681 31.070 1.00 0.00 B ÁTOMO 5185 1BG1 VAL 15S -2,526 37,547 29,484 1.00 0.00 H ATOM 5186 2BG1 VAL 155 -2,861 38,423 31,007 1.00 0.00 H ATOM 5187 3BG1 VAL 155 -1.975 39.222 29.711 1.00 0.00 fl ÁTOMO 5188 1HG2 VAL 155 0.249 37.694 28.942 1.00 0.00 H ÁTOMO S189 2HG2 VAL 155 0.649 39.081 29.939 1.00 0.00 fl ÁTOMO S190 3HG2 VAL 155 1,343 37,475 30,285 1.00 0.00 H ATCMO 5 5119911 NH T TRRPP B 1S6 0.539 37.143 33.820 1.00 0.33 H ATCMO 5 5119922 CC ?? T TRRPP B 156 1,740 36,713 34,455 1.00 0.33 C? TCMO S S119933 CC T TRRPP B 156 2,323 37,955 35,034 1.00 0.33 C ATCMO 5 5119944 OO T TRRPP B 156 1.605 38.904 35.350 1.00 0.33 O ATOM 5 5119955 CCBB T TRRPP B 156 2,765 36,100 33,483 1.00 0.33 c ATOM 5 5119966 CCGG T TRRPP B 156 2,277 34,858 32.771 1.00 0.33 c ATCMO 5 5119977 CCDDll T TRRPP B 156 1,694 34,753 31,543 1.00 0.33 c ATCMO 5 5119988 CCDD22 T TRRPP B 156 2.345 33.525 33.303 1.00 0.33 μ ATCMO 5 5119999 NNEEII T TRRPP B 156 1,392 33,439 31,275 1.00 0.33 N ATOMS S S220000 CCEE22 T TRRPP B 156 1,787 32,671 32,350 1.00 0.33 ATOMO 5 5220011 CCSS33 T TRRPP B 156 2,832 33,050 34,487 1.00 0.33 ATOM 5 5220022 CCZZ22 T TRRPP B 156 1,705 31,325 32,569 1.00 0.33 ATOM 5 5220033 CCZZ33 T TRRPP B 156 2,748 31,691 34.703 1.00 0.33 ATOM 5 5220044 CCHH22 T TRRFP B 156 2,195 30,845 33,763 1.00 0.33 ATOM 5 5220055 HH T TRRPP B 156 -0.349 36.804 34.155 1.00 0.00 H ATOM 5 5220066 BHA? T TRRPP B 156 1.505 36.007 35.270 1.00 0.00 k ATCMO 5 5220077 11HHBB T TRRPP B 156 3.617 35.752 34.092 1.00 0.00? H ATOM 5 5220088 22BBBB T TRRPP B 156 3,230 36,786 32,763 1.00 0.00 H ATCMO 5 5220099 HBDDl1 T TRRFF B 156 1,470 35,527 30,827 1.00 0.00 k ÁTOMO 5 5221100 HBEE1I T TRRFP B 1S6 0.852 33.107 30.508 1.00 0.00 k ATCMO 5 5221111 BBEE33 T TRRPP B 156 3,265 33,702 35,237 1.00 0.00 k ATCMO 5 5221122 888822 T TRRPP B 156 1,272 30,662 31,826 1.00 0.00 k ATOM 5 5221133 BBZZ33 T TRRPP B 156 3.122 31.273 35.635 1.00 0.00 k ATOM 5 5221144 ABHH22 T TRRPP B 156 2,143 29.779 33,972 1.00 0.00 k ATOMO 5 5221155 NN G GLLHN B 157 3,656 37,967 35,190 1.00 0.49 N? VOLUME 55221166 C? GLH B 157 4.338 39.097 35.739 1.00 0.49? VOLUME 55221177 C GLN B 157 4.276 40.236 34.773 1.00 0.49? VOLUME SS221188 OR GLN B 157 4.048 41.381 35.160 1.00 0.49 ip? VOLUME 55221199 CB GLH B 157 5.830 38.816 35.969 1.00 0.49 c? TCMO 55222200 CG GLN B 157 6,082 37,569 36,814 1.00 0.49 c ATOMo 55222211 CD GLN B 157 5.294 37.721 38.101 1.00 0.49 c ÁTOMO 55222222 OEl GLH B 157 S.354 38,759 38,756 1.00 0.49 or ÁTOMO 55222233 NB2 GLN B 157 4,525 36,663 38,466 1.00 0.49 N ATCMo 55222244 B GLN B 157 4,224 37,178 34,941 1.00 0.00 H ATONO 55222255 B? GLN B 157 3.849 39.413 36.673 1.00 0.00 H ATOMo 55222266 11HHBB GLN B 157 6.280 39.706 36.442 1.00 0.00 μ ÁTOMO 55222277 22KKBB GLN B 157 6,355 38,651 35,031 1.00 0.00 fl ÁTOMO 55222288 1BG GLH B 157 7.147 37.485 37.094 1.00 0.00 H ATCMo 52292BG GLH B 157 S.821 36.652 36.260 1.00 0.00 fl ATCMo 5230 1HE2 GLH B 157 4,495 35,810 37,942 1.00 0.00 k ATOMo 5231 2BE2 GLN B 157 3,997 36,763 39,316 1.00 0.00 H ÁTOMO 5232 N LEU B 158 4.4S9 39,934 33,473 1.00 Q.41 N ATCMO SS223333 C? LEU B 158 4,607 40,961 32,483 00 0.41 C ÁTOMO 55223344 C LEU B 158 3.306 41.597 32.127 00 0.41 fc ÁTOMO 55223355 OR LEU B 158 2,227 41,063 32,381 00 0.41 b ÁTOMO 55223366 CB LEU B 158 5,252 40,467 31,176 00 0.41 c ATOMO 55223377 CG LEO B 158 6.699 39.977 31.364 00 0.41 c ATOMO 55223388 C CDDll L LEEUU BB 115588 7.628 41.124 31.796 00 0.41 fc ATOM 5239 CD2 LEU B 158 6,758 38,765 32,310 00 0.41 c ÁTOMO 5240 B LEU B 158 4,371 38,990 33,144 1.00 0.00 k ATONO 5241 B? LEU B 158 5,247 41,746 32,926 1.00 0.00 k ATOM 5242 1 HHBB LEU B 158 5,231 41,276 30,425 1.00 0.00 B ATCMo 5243 2B HBB LEO'B 158 4,656 39,640 30,773 1.00 0.00 H ATOM 5244 B BGG LEU B 158 7.047 39,639 30,367 1.00 0.00 H? TCMO 5245 1BD1 LEU B 158 8,682 40,800 31,788 1.00 0.00 H? TCMO 52462HD1 LEU B 158 7,548 41,983 31,109 1.00 0.00 H? TCMO 5247 3BD1 LEU B 158 7,408 41,481 32,814 1.00 0.00 H? TOMO 5248 1HD2 LEU B 158 7,652 38,158 32,086 1.00 0.00? TCMO 52492BD2 LEU B 158 6,896 39,116 33,331 1.00 0.00 H? TCMO 5250 3BD2 LEU B 158 5,894 38,090 32,222 1.00 0.00 H? VOLUME 5251 N? SP B 159 3,419 42,804 31,533 1.00 0.19 N? VOLUME 5252 C? ASP B 159 2,310 43,578 31,058 1.00 0.19 C ATCMO 5253 C ASP B 159 2.414 43.543 29.566 1.00 0.19 c ATOMO 5254 OR ASF B 159 3,504 43,668 29,009 1.00 0.19 b? TCMO 5255 CB? SP B 159 2,381 45,057 31,503 1.00 0.19 C ATOM 5256 CG? SP B 159 1,124 45,839 31,117 1.00 0.19 fc ATCMO 52S7 OD1? SP B 159 0.378 45.398 30.205 1.00 0.19 b ATOM 5258 OD2? SP B 159 0.904 46.910 31.744 1.00 0.19 b- ATCMO 5259 B? SP B 159 4.304 43.201 31.275 1.00 0.00 H ATOM 5260 B? ? SP B 159 1,394 43,142 31,412 1.00 0.00 H ATOMO S261 1HB? SF B 159 3,242 45,547 31,017 1.00 0.00 8 ATOM 5262 2HB ASP B 159 2,576 45,164 32,581 1.00 0.00 H ATCMO 5263 N TYR B 160 1,279 43,335 28,874 1.00 0.11 N ATOM 5264 C? TYR B 160 1,321 43,282 27,443 1.00 0.11 c ATOM 5265 C TYR B 160 0.381 44.304 26.901 1.00 0.11 fc ATOM 5266 OR TYR B 160 -0,535 44,755 27,589 1.00 0.11 b ATOM 5267 ca TYR B 160 0.884 41.929 26.857 1.00 0.11 c ATOM 5268 CG TYR B 160 1,939 40,924 27,171 1.00 0.11 c ATOMO 5269 CDl TYR B 160 2.067 40.404 28.439 1.00 0.11 c ATOM 5270 CD2 TYR B 160 2,794 40,488 26,185 1.00 0.11 c ATCMO 5271 CEI TYR 8 160 3,042 39,476 28,720 1.00 0.11 c ATOM 5272 CE2 TYR B 160 3,771 39,560 26,459 1.00 0.11 c ATCMO 5273 CZ TYR B 160 3.895 39.052 27.730 1.00 0.11 c ATOMO 5274 OH TYR B 160 4.895 38.099 28.019 1.00 0.11 b ÁTOMO 5275 B TYR B 160 0.420 43.679 29.317 1.00 0.00 H ? TOMO 5276 B? TYR B 160 2,324 43,539 27,087 1.00 0.00 8 ÁTOMO 5277 1BB TYR B 160 0.755 42.037 25.769 1.00 0.00 a ATOM 5278 2BB TYR B 160 -0.098 41,635 27,262 1.00 0.00 8 ATOM 5279 HDl TYR B 160 1,419 40,777 29,225 1.00 0.00 8 ATCMO 5280 8D2 TYR B 160 2,708 40,890 25,178 1.00 0.00 8 ATOM 5281 HE1 TYR B 160 3,087 39,038 29,711 1.00 0.00 H ATOM 5282 HE2 TYR B 160 4.440 39.242 25.662 1.00 0.00 H ATOM 5283 HH TYR B 160 5,695 38,392 27,561 1.00 0.00 k ATOM 5284 N GLU B 161 0.622 44.722 25.643 1.00 0.12 N ATOM 5285 C? GLU B 161 -0.262 45,647 25,000 1.00 0.12 c ÁTOMO S286 c GLU B 161 -0.753 44.973 23.762 1.00 0.12 c ATOM 5287 or GLU B 161 -0,033 44,197 23,135 1.00 0.12 b ATOMo 5288 CB GLU B 161 0.273 47.006 24.48S 1.00 0.12 fc ATOM S2B9 CG GLU B 161 -0.616 48,163 23,930 1.00 0.12 c ÁTOMO 5290 CD GLU B 161 0.100 48.894 22.732 1.00 0.12 c ATOMo 5291 OEl GLU B 161 0.523 48.163 21.832 1.00 0.12 or? TCMp 5292 OE2 GLU B 161 0.153 50.124 22.811 1.00 0.12 oi- ATOM 5293 H GLU B 161 1.327 44.317 25.048 1.00 0.00 H ATOM 5294 B? GLU B 161 -1,119 45,827 25,660 1.00 0.00 H ÁTOMO 5295 1HB GLU B 161 0.959 46.729 23.673 1.00 0.00 H ATOMo 5296 2HB GLU B 161 0.855 47.435 25.316 1.00 0.00 k TCMO 5297 1HG GLU B 161 -0.844 48.899 24.714 1.00 0.00 H ATOM 5298 2HG GLU B 161 -1,583 47,807 23,551 1.00 0.00 H ÁTOMO 5299 N SER B 162 -2,020 45,234 23,397 1.00 0.11 N ATOMo S300 C? SER B 162 -2,598 44,616 22,242 1.00 0.11 C ATOMo 5301 c SER B 162 -2,381 45,499 21,065 1.00 0.11 d ATCMO 5302 0 SER B 162 -1.967 46.650 21.196 1.00 0.11 0 ATOMO 5303 CB SER B 162 -4,113 44,377 22,371 1.00 0.11 c ATOMO 5304 OG SER B 162 -4,614 43,756 21,196 .1.00 0.11 b ATOMO 5305 H SER B 162 -2.583 45.884 23.935 1.00 0.00 H ATOM 5306 H? BE B 162 -2,119 43,636 22,074 1.00 0.00 H ATOM 5307 1KB SER B 162 -4,658 45,313 22,560 1.00 0.00 H ? TCMO 5308 2HB SER B 162 -4.320 43.696 23.199 1.00 0.00 B ? TOMO 5309 HG SER B 162 -4,572 44,455 20,511 1.00 0.00 8 ÁTOMO S310 N GLU B 163 -2,640 44,951 19,864 1.00 0.13 N ATOM 5311 C? GLU B 163 -2,517 45,715 IB.661 1.00 0.13 c ÁTOMO 5312 c GLU B 163 -3.757 46.S33 18,544 1.00 0.13 c ATOMUM 5313 or GLU B 163 -4,830 46,148 19,006 1.00 0.13 0 ATOMo 5314 CB GLU 'B 163 -2,382 44,835 17.407 1.00 0.13 c ATCMO 5315 CG GLU B 163 -3,567 43,890 17,202 1.00 0.13 c ATOMO 5316 CD GLU B 163 -3,153 42,846 16,177 1.00 0.13 c ATOMO 5317 OEl GLU B 163 -2,076 42,223 16,381 1.00 0.13 0 ÁTOMO 5318 OE2 GLU B 163 -3,900 42,654 15,181 1.00 0.13 or 1- ÁTOMO 5319 H GLU B 163 '-2,775 43.955 19,752 1.00 0.00 8 ATOM 5320 B? GLU B 163 -1,567 46,269 18,725 1.00 0.00 8 ATOMO 5321 1HB GLU B 163 -1.436 44.272 17.498 1.00 0.00 H ATOM 5322 2BB GLU B 163 -2,268 45,510 16,541 1.00 0.00 H ATOM 5323 1HG GLO B 163 -4,480 44,422 16,897 1.00 0.00 H ÁTOMO 5324 2HG GLU B 163 -3,770 43,349 18,136 1.00 0.00 H | ATOMO 5325 N PRO B 164 -3,611 47,681 17,956 1.00 0.13 N ATOM 5326 C? PRO B 164 -4.751 48.542 17.819 1.00 0.13 c ATCMO 5327 C PRO B 164 -5,680 48,070 16,752 1.00 0.13 c ATOM 5328 OR PRO B 164 -5,235 47,407 15,818 1.00 0.13 or ATOM S329 CB PRO B 164 -4,189 49,936 17,565 1.00 0.13 c ATOMO 5330 CG PRO B 164 -2,815 49,909 18,251 1.00 0.13 c ATOMO 5331 CD PRO B 164 -2,385 48,437 18,167 1.00 0.13 c ATOM 5332 H? PRO B 164 -5,283 48,566 18,778 1.00 0.00 H ATOMO 5333 1HB PRO B 164 -4.771 50,682 18,086 1.00 0.00 B ATOM 5334 2BB PRO B 164 -4,110 50,174 16,494 1.00 0.00 B ? TOMO 5335 1HG PRO B 164 -2.913 50.209 19.302 1.00 0.00 a ATCMO 5336 2HG PRO B 164 -2,076 50,592 17,804 1.00 0.00 fl? VOL. 5337 1HD PRO B 164 -1,699 48,263 17,323 1.00 0.00 fl ? TOMO 5338 2HD PRO B 164 -1.875 48.165 19.100 1.00 0.00 H ? TOMO 5339 N LEU B 165 -6.982 48,383 16.888 1.00 0.11 N TCMO 5340 C? LEU B 165 -7.932 48.026 15.879 1.00 0.11 c ATOMo 5341 C LEU B 165 -8,678 49,279 15,565 1.00 0.11 c ATOMUM 5342 OR LEU B 165 -8.896 50,112 16,444 1.00 0.11 0 ATCMO 5343 CB LEU B 165 -8.953 46.969 16.327 1.00 0.11 c? VOLUME 5344 CG LEO B 165 -8.309 45.618 16.688 1.00 0.11 c ATOM 5345 CDl LEU B 165 -9,377 44,562 17,011 1.00 0.11 c ATOMO 5346 CD2 LEU B 165 -7.321 45.158 15.605 1.00 0.11 c ATOMO 5347 to LEU B 165 -7,332 48,855 17,713 1.00 0.00 H ? TOMO 5348 H? LEU B 165 -7,399 47,693 14,975 1.00 0.00 H? VOLUME 5349 1HB LEU B 165 -9,663 46,827 15,492 1.00 0.00 8 ÁTOMO 5350 2HB LEU B 165 -9,540 47,354 17,180 1.00 0.00 H ÁTOMO 5351 BG LEU B 165 -7,725 45,756 17,619 1.00 0.00 H ATOMUM 5352 1HD1 LEU B 165 -8,889 43,616 17,270 1.00 0.00 8 ATCMO 5353 2 HDl LEU B 165 -10,014 44,907 17,841 1.00 0.00 B ATOMO 5354 3HD1 LEU B 165 -10,046 44,410 16,150 1.00 0.00 H ATOMO 5355 1HD2 LEU B 165 -7.258 44.060 15.620 1.00 0.00 H? TCMO 5356 2HD2 LEU B 165 -7.617 45.460 14.591 1.00 0.00 H? TCMO 5357 3HD2 LEU B 165 -6.293 45.461 15.796 1.00 0.00 B ATOMUM 5358 N? SN B 166 -9,077 49,464 14,294 1.00 0.10? ATOMO 5359 C? ? SN B 166 -9,772 50,674 13,976 1.00 0.10 C ATOMUM 5360 c? SH B 166 -11,234 50,388 14,008 1.00 0.10 c ATOMUM 5361 or? SN B 166 -11,729 49,520 13,291 1.00 0.10 0 ATOMUM 5362 CB? SN B 166 -9.460 51.243 12.581 1.00 0.10 c ATOM 5363 CG? SN B 166 -8,056 51,831 12,593 1.00 0.10 c ATCMO 5364 OD1? SN B 166 -7.304 51,681 13,555 1.00 0.10 0 ÁTOMO 5365 ND2? SH B 166 -7,695 52,538 11,490 1.00 0.10 H ÁTOMO S366 H ASN B 166 -8,920 48,814 13,545 1.00 0.00 H ATOM 5367 B? ASN B 166 -9,511 51,470 14,693 1.00 0.00 H ATOMUM 5368 1BB? SN B 166 -10,185 52,051 12,379 1.00 0.00 H ATOM 5369 2HB ASN B 166 -9,555 50,487 11,785 1.00 0.00 H ATOMUM 5370 1HD2? SN B 166 -8,314 52,676 10,714 1.00 0.00 H ATOMo 5371 2HD2 ASN B 166 -6,780 52,955 11,511 1.00 0.00 a ATOMo 5372 N XLE B 167 -11,959 51,119 14,873 1.00 0.22 M ATOM 5373 C? ILE B 167 -13.378 50.962 14.942 1.00 0.22 C ATOMUM 5374 C XLE B 167 -13.954 52,275 14,545 1.00 0.22 e? TCMO 5375 OR SLE B 167 -13,535 53,322 15,035 1.00 0.22 a? VOLUME 5376 CB XLE B 167 -13,880 50,650 16,322 1.00 0.22 c? VOLUME 5377 CGl XLB B 167 -13,316 49.304 16.805 1.00 0.22 *? TOMO 5378 CG2 XLE B 167 -15.418 50.705 16.294 1.00 0.22 (? VOLUME 5379 CDl XLB B 167 -13.532 49.051 18.297 1.00 0.22 C? VOLUME 5380 H XLE B 167 -11.568 51.884 15.416 1.00 0.00 B ATOMO 5381 B? XLE B 167 -13,699 50,161 14,261 1.00 0.00 8 ÁTOMO 5382 HB XLE B 167 -13,530 51,440 17,014 1.00 o.oo i H ÁTOMO 5383 1HG1 ILB B 167 -12,227 49,256 16,623 1.00 0.00 1 a ATOMUM 5384 2HG1 ILE B 167 -13,758 48,478 16,219 1.00 o.oo i a? TCMO 5385 1HG2 XLE 'B 167 -15,829 50,544 17,306 1.00 0.00 B ÁTOMO 5386 2HG2 XLE B 167 -15,817 51,680 15,976 1.00 0.00 H ATOMUM 5387 3BG2 XLB B 167 -15,851 49,914 15,670 1.00 0.00 8? VOLUME 5388 1BD1 XLE B 167 -13,011 48,136 18,621 1.00 0.00 B ATOM 5389 2HD1 XLE B 167 -13,158 49,884 18,909 1.00 0.00 B ÁTOMO 5390 3HD1 XLE B 167 -14,602 48,923 18,511 1.00 0.00 B ATCMO 5391 N THR B 168 -14,926 52,262 13,618 1.00 0.48 N ATOM 5392 C? THR B 168 -15,488 53,513 13,212 1.00 0.48 C ATOMUM 5393 c THR B 168 -16.955 53.470 13.410 1.00 0.48 C ATOMO 5394 or THR B 168 -17,587 52,419 13,312 1.00 0.48 0 ATOMO 5395 CB THR B 168 -15.289 53.846 11.764 1.00 0.48 C ATOMUM 5396 OG1 TBR B 168 -15,798 52,802 10,948 1.00 0.48 0 ATOMUM 5397 CG2 TBR B 168 -13,800 54,078 11,494 1.00 0.48 c ÁTOMO 5398 a THR B 168 -15,333 51,415 13,242 1.00 0.00 H ATOM 5399 B? THR B 168 -15,086 54,315 13,823 1.00 0.00 H ÁTOMO 5400 BB THR B 168 -15,828 54,788 11,542 1.00 0.00 H ATOMO 5401 BG1 THR B 168 -16.752 52.753 11.109 1.00 0.00 H? TCMO 5402 1HG2 THR B 168 -13,629 54,378 10,447 1.00 0.00 H ATOM 5403 2HG2 THR B 168 -13,392 54,871 12,141 1.00 0.00 H ATCMO 5404 3BG2 THR B 168 -13,218 53,159 11,670 1.00 0.00 fl ATOM 5405 H VAL B 169 -17,538 54,638 13,724 1.00 0.5S N ATOM 5406 C? VAL B 169 -18,958 54,667 13,979 1.00 0.55 C ATOM 5407 c VAL B 169 -19,375 55,038 12,415 1.00 0.55 C ATOMO 5408 OR VAL B 169 -18.935 56.046 11.863 1.00 0.55 O ATOM 5409 CB VAL B 169 -19,532 55,659 14,771 1.00 0.55 c ATCMO 5410 CGl VAX. B 169 -19,096 55.24S 16.183 1.00 0.55 c? TCMO 5411 CG2 VAL B 169 -19,102 57,084 14,391 1.00 0.55 c ÁTOMO 5412 H VAL B 169 -17,097 55,537 13,643 1.00 0.00 fl? TCMO 5413 H? VAL B 169 -19,344 53,676 14,069 1.00 0.00 H ÁTOMO 5414 BB VAL B 169 -20,631 55,570 14,679 1.00 0.00 H? TCMO 5415 1BG1 VAL B 169 -19,882 55,434 16,925 1.00 0.00 a? TCMO 5416 2BG1 VAL B 169 -18,919 54,158 16,250 1.00 0.00 to? TCMO 5417 3BG1 VAL B 169 -18,150 55,715 16,482 1.00 0.00 B ATOMO 5418 1BG2 VAL B 169 -19,962 57,610 14,838 1.00 0.00 B? TOMO 5419 2HG2 VAL B 169 -18,107 57,258 14,822 1.00 0.00 B ATCMO 5420 3BG2 VAL B 169 -19,091 57,488 13,385 1.00 0.00 B? VOLUME 5421 H XLE B 170 -20.221 54.194 11.807 1.00 0.56 H? TCMO 5422 C? ILE B 170 -20.637 54.415 10.457 1.00 0.56 c? TCMO 5423 C XLE B 170 -21.357 55.721 10.428 1.00 0.00 0.S6 c? TCMO 5424 OR ILE B 170 -21.198 56.502 9.490 1.00 0.56 0? TCMO 5425 CB XLE B 170 -21.546 53.321 9.942 1.00 0.S6 c? TCMO 5426 CGl XLE B 170 -21.728 53.399 8.414 1.00 0.56 c? TCMO 5427 CG2 XLE B 170 -22.867 53.374 10.727 1.00 0.56 c TCMO 5428 CDl ILE B 170 -22,467 54,643 7,921 1.00 0.56 c TCMO 5429 H XLE B 170 -20,615 53,381 12,272 1.00 0.00 H ? TOMO 5430 B? XLE B 170 -19.739 54.517 9.824 1.00 0.00 B? TCMO 5431 HB XLE B 170 -21.142 52.353 10.164 1.00 0.00 B ÁTOMO 5432 1HG1 XLE B 170 -22.296 52.506 8.094 1.00 0.00 B ÁTOMO 5433 2HG1 XLE B 170 -20.74B 53,323 7.909 1.00 0.00 H ATONO 5434 1HG2 XLE B 170 -23.219 52,342 10,855 1.00 0.00 H? VOLUME 5435 2HG2 ILE B 170 -22,796 53,819 11,714 1.00 0.00 B? TCMO 5436 3BG2 ILE B 170 -23,675 53,912 10,210 1.00 0.00 H? TCMO 5437 1HD1 XLE B 170 -23,115 54.369 7.070 1.00 0.00 H? TCMO 5438 2BD1 XLE B 170 -23.131 55.124 8.651 1.00 0.00 8? VOLUME 5439 3HD1 XLE B 170 -21.776 55.394 7.510 1.00 0.00 H? TCMO 5440 N LYS B 171 -22.156 55.999 11.475 1.00 0.52 N? VOLUME 5441 C? LYS B 171 -22,902 57,220 11,537 1.00 0.52 cl? TCMO 5442 c LYS B 171 -21,908 58,330 11.406 1.00 0.52 c? TCMQ 5443 or LYS B 171 -20.957 58.418 12.180 1.00 0.52 or? TCMO 5444 CB LYS B 171 -23.649 57.356 12.879 1.00 0.52 c ATOM 5445 CG LYS B 171 -24,731 58,436 12,935 1.00 0.52 c ATOM 5446 CD LYS B 171 -24.206 S9.B60 12.790 1.00 0.52 c ATOMO 5447 CE LYS B 171 -25,263 60,932 13,064 1.00 0.52 C | ATCMO 5448 NZ LYS B 171 -26,436 60,713 12,190 1.00 0.52 N1 +? TCMO 5449 H LYS B 171 -22,064 55,447 12,309 1.00 0.00 H? TCMO 5450 H? LYS B 171 -23,632 57,218 10,707 1.00 0.00 H ATOMO 5451 1BB LYS B 171 -22,872 57,525 13,643 1.00 0.00 H ÁTOMO 5452 2BB LYS B 171 -24,129 56,387 13,070 1.00 0.00 H ÁTOMO 5453 1BG LYS B 171 -25,345 58,368 13,836 1.00 0.00 Hl? TCMO 5454 2BG LYS B 171 -25,440 58,243 12,108 1.00 0.00 Hl? TCMO 5455 ÍHD LYS B 171 -23,965 59,931 11,730 1.00 0.00 H? TCMO 5456 2HD LYS-B 171 - 23.301 60.050 13.389 1.00 0.00 B? TOMO 5457 1BB LYS B 171 -24.878 61.943 12.854 1.00 0.00 a ATOMO 5458 2HE LYS B 171 -25.630 60.929 14.101 1.00 0.00 a ATCMO 5459 1HZ LYS B 171 -27,152 61,412 12,333 1.00 0.00 a ? TCMO 5460 2BZ LYS B 171 -26,174 60,754 11,214 1.00 0.00 to? VOLUME 5461 3BZ LYS B 171 • «-26,861 59,813 12,366 1.00 0.00 H? VOLUME 5462 N AL? B 172 -22,097 59,199 10,393 1.00 0.31? TCMO 5463 C? ? L? B 172 -21,148 60,249 10,164 1.00 0.31 C *! TCMO 5464 c? L? B 172 -21,773 61,594 10,514 1.00 0.31 c? TCMO 5465 0? L? B 172 -21,349 62,615 9,889 1.00 0.31 0? TCMO 5466 CB? L? B 172 -20,692 60,342 8,698 1.00 0.31 c? TCMO 5467 OXT? L? B 172 -22,672 61,637 11,410 1.00 0.31 ot-ATCMO 5468 B? L? B 172 -22,806 59,090 9,697 1.00 0.00 H ATOM 5469 H? ? L? B 172 -20.253 60.101 10.78S 1.00 0.00 H? TCMO 5470 1HB? L? B 172 -19,856 61,055 8,602 1.00 0.00 H ATCMO 54712HB ALA B 172 -20,320 59,375 8,320 1.00 0.00 H ATOM 54723HB AL? B 172 -21,505 60,668 8.030 1.00 0.00 H TER ffWiTeY) 5 COMraiMXO Model dß Receiver l nib type »V.C. «Pe. Pab. 02, 1999 CO-H-9RXO r3b eodß .899990013 -pdb cceansnio sroßnßiae pair WXßUM & 22-reb? »01: 59.11 oens-tiuo J? I? M OBJTSTXV.- M? O? Ujn 933.2556 ATOM 1 H ARG 36.333 7B.544 S.S82 1.00 0.75 1SG 2? TOMO 2 CA ARG 36,665 78,748 7,009 1.00 0.75 1SG 3 ATOMO 3 CB ARG 37.362 B0.102 7.211 1.00 0.75 1SG 4 ATOM 4 CG ARG 38,684 80,236 6,455 1.00 0.75 13G 5 ATOMS S CD 'ARG 39.3B1 81.577 6.691 1.00 0.75 1SG 6 ATOMO 6 NB? RG 38,454 82,648 6,231 1.00 0.75 1SG 7 ÁTOMO 7 Z ARG 38,575 83,911 6,733 1.00 0.75 1SG 8 ÁTOMO 8 toa ARG 39,561 B4,195 7,632 1.00 0.75 1SG 9 ATOM 9 NK2 ARG 37,706 84,888 6,342 1.00 0.75 1SG 10 ÁTOMO 10 C ARG 35,413 78,755 7,815 1.00 0.75 1SG 11 ÁTOMO 11 0 ARG 34,422 78,125 7,448 1.00 0.75 1SG 12 ATOM 12 N THR 2 35,435 79,465 8,957 1.00 0.84 1SG 13 ATOMUS 13 CA THR 2 34,253 79,541 9,758 1.00 0.84 1SG 14 ATOM 14 CB TKR 2 34.507 79.99B 11,165 1.00 0.84 1SG 15 ATOM 1S OG1 THR 2 35,036 81,316 11,166 1.00 0.84 1SG 16 ATOM 16 CG2 THR 2 35,505 79,029 11,821 1.00 0.84 1SG 17 ATOMO 17 C THR 2 33,378 80,548 9,098 1.00 0.84 1SG 18 ÁTOMO 18 0 TKR 2 33.857 81.407 8.359 1.00 0.B4 1SG 19 ATOM 19 N GLO 3 32,057 80,458 9,329 1.00 0.71 15G 20 ATOMO 20 CA GLO 3 31,181 81,396 B.699 1.00 0.71 1SG 21 ATOMUS 21 CB GLO 3 29,830 80,782 8,299 1.00 0.71 1SG 22 ÁTOMO 22 CG GLU 3 29,965 79,711 7,214 1.00 0.71 1SG 23 ÁTOMO 23 CO GLU 3 30,554 80,365 5,972 1.00 0.71 1SG 24 ATOMO 24 OEl GLU 3 30.739 81.612 5.991 1.00 0.71 1SG 25 ATOMO 25 022 GLO 3 30,827 79,627 4,988 1.00 0.71 iss 26 ÁTOMO 26 C GLO 3 30,937 82,497 9.675 1.00 0.71 1SC 27 ? TOMO 27 O GLO 3 30.388 82.277 10.753 1.00 0.71 1SG 28 ÁTOMO 28 N ASP 4 31.367 83-722 9.318 1.00 0.37 1SG 29 ATOMO 29 C? ASP 4 31.218 B4.828 10.21S 1.00 0.37 1SS 30 ATOM 30 CB ASP 4 31.857 86.122 9.684 1.00 0.37 1SG 31 ATON 31 CG ASP 4 33.370 B5.9SB 9.723 1.00 0.37 1SG 32 ATOMO 32 OD1 ASP 4 33,845 85,029 10,428 1.00 0.37 1SG 33 ATOMO 33 OD2 ASP 4 34,070 86,765 9,055 1.00 0.37 1SG 34 ATOMUM 34 C ASP 4 29.767 85.099 10.401 1.00 0.37 1S8 35 ATOMO 35 0? SP 4 29,251 85,050 11,516 1.00 0.37 1SG 36 ATOMO 36 N LEO 5 29,059 85,370 9,294 1.00 0.17 1SG 37 ATOMO 37 C? LEO 5 27,667 85,668 9,399 1.00 0.17 1SG 38 ÁTONO 38 CB LEO 5 27,075 86,177 8,075 1.00 0.17 1SG 39 ATOMO 39 CG LEO 5 27,732 87,486 7,592 1.00 0.17 1SG 40 ATOM 40 CD2 LEO 5 27.709 88,560 8.693 1.00 0.17 1SG 41 ATOM 41 CDl LEO 5 27,115 87,974 6,271 1.00 0.17 1SG 42 ÁTOMO 42 c LEO 5 26,999 84,375 9,734 1.00 0.17 LSG 43 ATOM 43 or LEO 5 27,436 83,315 9,290 1.00 0.17 1SS 44 ATOMO 44 N PRO 6 25,939 84,428 10,491 1.00 0.32 1.SG 45 ATOMO 45? PRO 6 25,286 83,214 10,886 1.00 0.32 1SG 46 ATOMO 46 CD PRO 6 25,749 85,492 11,462 1.00 0.32 1SG 47 ATOMO 47 CB PRO 6 • 24,243 83,628 11,919 1.00 0.32 1SG 48 ATOMO 48 CG PRO 6 24,865 84,882 12,566 1.00 0.32 1SG 49 ÁTOMO 49 C PRO 6 24.755 82.520 9.679 1.00 0.32 1SG 50? TOMO 50 0 PRO 6 24.506 83.182 8.672 1.00 0.32 1SG 51 ÁTOMO SI N LYS 7 24.603 81.184 9.741 1.00 0.49 1SG 52 ATOMO 52 C? LYS 7 24,184 80,476 8,572 1.00 0.49 1SG 53 ATOMO 53 CB LYS 7 24,543 7B.979 ß.570 1.00 0.49 1SG 54 ATOMO 54 CG LYS 7 26,045 78,697 8,611 1.00 0.49 1SG 55 ATOMO 55 co LYS 7 26,398 77,211 8,617 1.00 0.49 1SG 56 ATOMO 56 CE LYS 7 25,653 76,398 9,673 1.00 0.49 1SG 57 ATOMO 57 NZ LYS 7 26,238 76,623 11,012 1.00 0.49 1SG 58 ATOMO 58 c LYS 7 22,703 80,560 8,420 1.00 0.49 1SG 59 ATOMUM 59 0 LYS 7 21,958 80,622 9,397 1.00 0.49 15G 60 ATOMO 60 N? L? 8 22,243 80,568 7,155 1.00 0.29 1SG 61 ATOMO 61 CA ALA 8 20,838 80,543 6,890 1.00 0.29 1SG 62 ATOMO 62 CB ALA 8 20,483 80,789 5,413 1.00 0.29 1SG 63 ATOMO 63 C ALA 8 20,394 79,162 7,354 1.00 0.29 1SG 64 ATOMO 64 0 AL? 8 21,215 78,248 7,328 1.00 0.29 1SG 65 ÁTOMO 65 N VAL 9 19,086 78,978 7,532 1.00 0.10 1SG 66 ATOBO 66 A 'VAL 9 18,614 77,679 7,929 1.00 0.10 1SG 67 ATOMO 67 CB VAL 9 18,031 77,676 9,312 1.00 0.10 1SG 68 ÁTOMO 68 CGL VAL 9 17,521 76,263 9,638 1.00 0.10 1SG 69 ATOMO 69 CG2 VAL 9 19.104 78.190 10.287 1.00 0.10 15G 70 ATONO 70 C VAL 9 17,537 77,242 6,979 1.00 0.10 1SG 71 ÁTOMO 71 0 VAL 9 16,568 77,964 6,746 1.00 0.10 19G 72 ÁTOMO 72 N VAL 10 17,674 76,015 6,431 1.00 0.19 ISß 73 ATOMO 73 C? VAL 10 16,740 75,508 5,463 1.00 0.19 1SG 74 ÁTOMO 74 CB VAL 10 17,398 74,689 4,392 1.00 0.19 1SG 75 ATOMO 75 CGl VAL 10 16,311 74,126 3,461 1.00 0.19 1SG 76 ATOMO 76 CG2 VAL 10 18,435 75,572 3,678 1.00 0.19 1SG 77 ÁTOMO 77 C VAL 10 15,729 74,638 6,147 1.00 0.19 1SG 78 ÁTOMO 78 O VAL 10 16,071 73,734 6.909 1.00 0.19 1SG 79 ATOMO 79 N PHE 11 14,436 74,903 5,866 1.00 0.29 1SG 80 ATOM 80 C? PEE 11 13,341 74,203 6,478 1.00 0.29 1SG 81 ATOMO Bl CB PHE 11 12,390 75,198 7,171 1.00 0.29 1SG 82 ÁTOMO 82 CG PHE 11 11,324 74,489 7,929 1.00 0.29 1SG 83 ATOMO B3 COI PBE 11 11,626 73,789 9,074 1.00 0.29 1SG 84 ATOMO 84 CD2 PHE 11 10,016 74,560 7.515 1.00 0.29 1SG BS ÁTOMO 85 CEI PBE 11 10,640 73,144 9,783 1.00 0.29 1SG 86 ATOMO 86 CE2 PHE 11 9,030 73,918 8,223 1.00 0.29 1SG 87 ÁTOMO 87 CZ PHE 11 9,337 73,205 9,357 1.00 0.29 1SG 88 ATOMO 88 C PHE 11 12,610 73,473 5,386 1.00 0.29 1SG 89 ÁTOMO 89 0 PHE 11 12,366 74,029 4,317 1.00 0.29 1SG 90 ATOMO 90 N LEO 12 12,252 72,194 5,639 1.00 0.22 1SG 91 ATOM 91? LEO 12 11,623 71,357 4,649 1.00 0.22 1SG 9Z ÁTOMO 92 CB LEO 12 12,417 70,050 4,443 1.00 0.22 15G 93 ATOMO 93 CG LEU 12 11,841 69,069 3,405 1.00 0.22 1SG 94 ÁTOMO 94 CS2 LEO 12 12,543 67,702 3,485 1.00 0.22 1SG 95 ATOMO 95 CDl LEO 12 .11.878 69.665 1.988 1.00 0.22 1SG 96 ÁTOMO 96 c LEO 12 10,245 70,996 5,122 1.00 0.22 1SG 97 ATOMO 97 0 LEO 12 10,069 70,535 6,248 1.00 0.22 1SG 98 ÁTOMO 98 N GLO 13 9.214 71.217 4.272 1.00 0.16 1SG 99 ATOM 99 C? GLU 13 7,873 70,835 4,636 1.00 0.16 1SG 100 ÁTOMO 100 CS GLO 13 6,922 72,013 4,907 1.00 0.16 1SG 101? TOMO 101 CG GLO 13 7,239 72,794 6,177 1.00 0.16 1SG 102 ATOM 102 CD GLO 13 6.214 73.912 6.297 1.00 0.16 1SG 103 ATOMO 103 OLE GLO 13 4,999 73,592 6,393 1.00 0.16 1SG 104 ATOMO 104 OE2 CLU 13 6.630 75.102 6.291 1.00 0.16 1SG 105 ÁTOMO 105 C GLO 13 7.271 70.102 3.478 1.00 0.16 1SG 106 ATOMO 106 O GLU 13 7,330 70,573 2,342 1.00 0.16 1SG 107 ÁTOMO 107 N PRO 14 6,706 68,948 3,714 1.00 0.21 1SG 108 ATOMO 108 C? PRO 14 '6,667 68,302 4,996 1.00 0.21 1SG 109 ATOM 109 CD PRO 14 S.92S 68,248 2,709 1.00 0.21 1SG 110 ATOM 110 CB PRO 14 5,700 67,126 4,839 1.00 0.21 1SG 111 ÁTOMO 111 CG PRO 14 5.667 66.862 3.323 1.00 0.21 1SG 112 ATORO 112 C PRO 14 8,071 67,870 5,287 1.00 0.21 1SG 113 ATOM 113 OR PRO 14 8.917 67.964 4.402 1.00 0.21 1SG 114 ÁTOMO 114 N GLN 15 8,326 67,394 6,518 1.00 0.25 1SG 115 ATOMO US CA GLN 15 9.620 67.052 7.049 1.00 0.25 1SG 116 ATOMO 116 CB GLN 15 9.550 66.690 8.541 1.00 0.25 1SG 117 ÁTOMO 117 Cß GLN 15 9,071 67,839 9,430 i.ss 0.25 1SG 118 ATOMO 118 CD GLN 15 9,049 67,340 10,867 1.00 0.25 1SG 119 ATOMO 119 OB GLK 15 9.139 68.123 11.812 1.00 0.25 1SG 120 ATOMO 120 NB2 GLN 15 8.927 65.996 11.040 1.00 0.25 1SG 121 ÁTOMO 121 C GLH 15 10,263 65,875 6,364 1.00 0.25 1SG 122 ATOMO 122 OR GLN 15 11,479 65,714 6,432 1.00 0.25 1SG 123? VOLUME 123 N TRP 16 9,473 64,991 5 .- * 35 1.00 0.44 1SG 124 ATOM 124? TRP 16 9.960 63.744 S.199 1.00 0.44 1SG 125 ATOM 125 CB TRP 16 8,870 63,023 4,396 1.00 0.44 1SG 126 ATOMO 126 CC TRP 16 7.568 62.935 5.152 1.00 0.44 1SG 127 ÁTOMO 127 C02 TRP 16 7,393 62,263 6,408 1.00 0.44 1SQ 128 ATOM 128 IOC TRP 16 6,368 63,510 4,849 1.00 0.44 1SG 129 ATOMO 129 NE TRP 16 S.4S4 63,236 5,837 1.00 0.44 1SG 130 ATOM 130 CE2 TRP 16 6,072 62,471 5,804 1.00 0.44 1SG 131 ATON 131 CE3 TRP 16 8.263 61.541 7.173 1.00 0.44 1SG 132 ÁTOMO 132 CZ2 TRP 16 5,599 61,956 7,976 1.00 0.44 1SC 133 ATOM 133 CZ3 TRP 16 7.7B0 61,016 8,351 1.00 0.44 1SG 134 ATOMO 134 CH2 TRP 16 6.473 61.220 8.745 1.00 0.44 1SG 135 ÁTOMO 135 C TRF 16 11,131 63,929 4,267 1.00 0.44 1SG 136 ATOMO 136 OR TRP 16 11,062 64,684 3,297 1.00 0.44 1SG 137 ATOM 137 N TYR 17 12,261 63,242 4,567 1.00 0.57 1SG 139 ATOMO 138 CA TYR 17 13,440 63,252 3,737 1.00 0.57 1SG 139 ATOHO 139 CB TYR 17 14,749 62,870 4,463 1.00 0.57 1SG 140 ATOMO 140 CG TYR 17 14,639 61,516 5,071 1.00 0.57 1SG 141 ATOMO 141 CDl TYR 17 14,599 60,383 4,291 1.00 0.57 1SG 142 ÁTOMO 142 COZ TYR 17 14,616 61,383 6,440 1.00 0.57 1SG 143 ATOMO 143 cei TYR 17 14,507 59,139 4,869 1.00 0.57 1SG 144 ATOMO 144 CE2 TYR 17 14,524 60,142 7,024 1.00 0.57 1SG 145 ATOMO 145 CZ TYR 17 14,465 5 .017 6,237 1.00 0.57 1SG 146 ÁTOMO 146 OH TYR 17 14,370 57,742 6,833 1.00 0.57 1SG 147 ATOMO 147 c TYR 17 13,280 62,371 2,530 1.00 0.57 1SG 148 ATOMO 148 0 TYR 17 13,902 62,621 1,498 1.00 0.57 1SG 149 ATOMO 149 N SER 18 12,494 61,278 2,632 1.00 0.33 1SG 150 ATOMO 150 C? SER 18 12-317 60,414 1,493 1.00 0.33 1SG 151 ATOM 151 CB SER 18 12,454 58,918 1,826 1.00 0.33 1SG 152 ATOMO 152 OG SER 18 11,412 58,518 2,704 1.00 0.33 1SG 1S3 ATOMO 153 C SER 38 10.925 60.641 0.986 1.00 0.33 1SG 154 ATOMO 154 0 - SER 18 9,960 60,479 1,730 1.00 0.33 19G 155 ATOMO 155 N VAL 19 10.7B3 61.019 -0.304 1.00 0.11 1SG 156 ATOMO 156 C? VAX 19 9,477 61,311 -0,838 1.00 0.11 1SG 157 ÁTOMO 157 CB VAL 19 9.269 62.761 -1.167 1.00 0.11 1SG 158 ATOMO 158 CGl VAL 19 9.380 63.581 0.130 1.00 0.11 1SG 159 ATOMO 159 CG2 VAL 19 10,274 63,169 -2,257 1.00 0.11 1SG 160 ATOMO 160 C VAL 19 9.271 60.547 -2.114 1.00 0.11 1SG 161 ÁTOMO 161 O VAL 19 10,165 59,855 -2.S99 1.00 0.11 1SG 162 ATOMO 162 N LEU 20 8,048 60,648 -2,680 1.00 0.12 1SG 163 ATOM 163 C? LEO 20 7.707 59.953 -3.890 1.00 0.12 1SG 164 ÁTOMO 164 CB LEO 20 6,371 59,199 -3,799 1.00 0.12 1SG 165 ATOMO 165 CG LEO- 20 6,393 58,029 -2,795 1.00 0.12 156 166 ATOMO 166 CD2 LEU 20 7,551 57,064 -3,096 1.00 0.12 1SG 167? TOMO 167 CDl LEO 20 5,036 S7,311 -2,743 1.00 0.12 1SG 168 ATOMO 168 C LEO 20 7,584 60,945 -5,006 1.00 0.12 1SG 169 ÁTOMO 169 O LEO 20 • 7,318 62,129 -4,797 1.00 0.12 1SG 170 ÁTOMO 170 N GLU 21 7,793 60,471 -6,250 1.00 0.27 ss 71 ÁTOMO 171 CA GLO 21 7,682 61,341 -7,379 1.00 0.27 1SG 172 ÁTOMO 172 CB GLO 21 7,866 60,617 -8,725 1.00 0.27 1SG 173 ATOMO 173 CG GLU 21 9.271 60.049 -8.93S 1.00 0.27 1SG 174 ATOMO 174 CD GLV 21 9.297 59.370 -10.297 1.00 0.27 1SC 175 ÁTOMO 175 OEl GLU 21 8.246 59.409 -10.992 1.00 0.27 1SG 176 ÁTOMO 176 OE2 GLU 21 10,363 5B.805 -10,660 1.00 0.27 1SG 177 ÁTOMO 177 C GLO 21 6,305 61,919 -7,359 1.00 0.27 1SG 178 ÁTOMO 178 O GLU 21 5.336 61.251 -7.002 1.00 0.27 1SG 179 ATOMO 179 N LYS 22 6.206 63.202 -7.752 1.00 0.41 1SC 180 ATOM 180? LYS 22 4,977 63,941 -7,839 1.00 0.41 1SG 181 ÁTOMO 181 CB LYS 22 3,802 63,104 -8,379 1.00 0.41 1SG 182 ATOMO 182 CG LYS 22 2,521 63,919 -8,568 1.00 0.41 1SG 183 ATOMO 183 CD LYS 22 1.471 63.227 -9.442 1.00 0.41 1SG 184 ATOMO 184 CE LYS 22 1,783 63,301 -10,939 1.00 0.41 1SG 185 ATOMO 185 NZ LYS 22 0.726 62.610 -11.713 1.00 0.41 1SG 186 ATOMO 186 C LYS 22 4,576 64,522 -6,511 1.00 0.41 1SG 187 ATOMO 187 O LYS 23 3,617 65,290 -6,454 1.00 0.41 1SG 188 ATOM- 188 M • ASP 23 5,398 64,220 -5,413 1.00 0.26 1SG 1B9 ATOM 1B9 C? ? SP 23 4,948 64,822 -4,152 1.00 0.26 1SG 190 ATOM 190 CB? SP 23 5.586 64.14B -2.921 1.00 0.26 1SG 191? TOMO 191 CG ASP 23 4.923 6 .800 -2.666 1.00 0.26 1SG 192 ATCMO 192 OD1 ASP 23 3.763 62.602 -3.117 1.00 0.26 1SG 193 ATOMo 193 OD2 ASP 23 5.574 61.949 -2.004 1.00 0.26 19G 194 ATOM 194 C ASP 33 5.437 66.242 -4.163 1.00 0.26 1SG 195 ÁTOMO 195 0 ASP 33 6,388 66,584 -4,872 1.00 0.25 1SG 196 ATOMo 196 N SER 24 4.784 67.104 -3.350 1.00 0.11 1SG 197 ATOM 197? SER 24 5.124 68.497 -3.284 1.00 0.11 1SG 198 ATOM 198 CB SER 24 3.932 69.399 -2.918 1.00 0.11 1SG 199 ÁTOMO 199 OS SER 24 4,336 70,760 -2,873 1.00 0.11 1SG 200 ATOMO 200 C SER 24 6,159 68,680 -2,222 1.00 0.11 1SG 201 ? TOMO 201 0 SER 24 6.104 68.045 -1.171 1.00 0.11 1SG 202? TOMO 202 N VAL 25 7.164 69.537 -2.487 1.00 0.10 1SG 203 ATOM 203 C? VAL 25 8.167 69.792 -1.493 1.00 0.10 ISß 304 ATOMO 204 CB VAL 25 9.530 69.287 -1.877 1.00 0.10 1SG 305 ATOMO 205 CGl VAL 25 10,534 69,704 -0,789 1.00 0.10 1SG 306 ATONO 206 CG2 VAL 25 9,453 67,767 -3.104 1.00 0.10 1SG 207 ATOMUM 207 C VAL 25 8.278 71.276 -1.344 1.00 0.10 1SG 208 ÁTOMO 208 0 VAL 25 8.336 71.999 -2.338 1.00 0.10 1SG 209 ATOM 209 H THR 26 8,295 71,766 -0,084 1.00 0.09 1SG 210? VOLUME 210 C? THR 26 8.408 73.177 0.164 1.00 0.09 1SG 211 ATOM 211 CB TKR 26 7.254 73.732 0.946 1.00 0.09 1SG 212? VOLUME 212 OG1 THR 26 6.040 73.502 0.347 1.00 0.09 1SG 213 ATOMO 213 CG2 TBR 26 7.467 75.243 1.142 1.00 0.09 1SG 214 ÁTOMO 314 C THR 26 9.640 73.398 0.982 1.00 0.09 1SG 215 ÁTOMO 215 0 THR 26 9-791 72.B51 2,073 1.00 0.09 1SG 216 ATOM 216 «LEO 27 10,568 74,219 0.461 1.00 0.16 1SG 217? TOKO 217 C? LEO 37 11.777 74.529 1.162 1.00 0.16 ISO 218? TOMO 218 CB LEU 27 13.031 74.380 0.286 1.00 0.16 1SG 219 ATOMo 219 CG LEU 27 13,325 72,930 -0,140 1.00 0.16 1SG 230 ATOMo 220 CD2 LEO 27 13,423 72,008 1,081 1.00 0.16 1SG 331 ATOMo 221 CDl LEO 27 14.585 72.854 -1.013 í.ss 0.16 15G 222 ATOMo 222 C LEU 27 11,683 75,974 1,550 1.00 0.16 1SG 223 ATOMO 223 0 LEU 27 11,267 76,812 0.752 1.00 0.16 1SG 334 ATOM 224 »LYS 28 -12,051 76,300 2,806 1.00 0.26 1SG 235 ATOM 225? LYS 28 11,982 77,664 3,253 1.00 0.26 1SG 226? TOKO 226 CB LYS 28 11,025 77,848 4,443 1.00 0.26 1SG 227 ATOMO 227 CG LYS 28 9.559 77.562 4.112 1.00 0.26 1SS 228 ATOMO 228 CD LYS 2B 8,696 77,332 5,355 1.00 0.26 1SG 339 ATOM 229 CE LYS 38. 8,759 78,477 6,369 1.00 0.26 1SG 230 ATOMO 230 HZ LYS 28 7,898 7B,171 7,534 1.00 0.26 1SG 331 ATOMO 231 C LYS 28 13.3S0 78,065 3,716 1.00 0.26 1SG 232 ÁTOMO 232 O LYS 28 13,972 77,361 4. SIO 1.00 0.26 1SG 233 ATOM 233 N CYS 29 13,855 79,221 3,231 1.00 0.25 1SG 234 ATOM 234 C? CYS 29 15,166 79,665 3,633 1.00 0.25? Se 235 ATOMO 235 CB CYS 29 15,989 80,261 2,466 1.00 0.25 1SG 236 ATOMO 236 SG CYS 29 17,746 80,487 2,376 1.00 0.25 1SC 237 ÁTOMO 237 C CYS 29 14,976 80,743 4,635 1.00 0.25 1SG 238 ATOMO 23B 0 CYS 29 14,520 81,842 4,318 1.00 0.25 1SG 239 ATOMO 239 N GLN 30 15,362 80,444 S.8B3 1.00 0.20 15G 240? VOLUME 240 C? GLN 30 15,150 81,352 6,974 1.00 0.20 1SC 241 ATOM 241 CB GLN 30 14,662 80,641 8,250 1.00 0.20 1SG 242 ATOM 242 CG GLN 30 13,328 79,910 8,073 1.00 0.20 1SG 243 ATOMO 243 CD GLNG 30 12,990 79,231 9,393 1.00 0.20 15G 244 ATOMo 244 OEl GLN 30 13,436 79,665 10,454 1.00 0.20 1SG 245 TCMO 345 NE2 GLH 30 12,190 78,133 9,331 1.00 0.20 1SG 246 ÁTOMO 346 C GLN 30 16,447 82,021 7,307 1.00 0.20 1SG 247? VOLUME 247 OR GLN 30 17,516 81,416 7,227 1.00 0.20 1SG 248 ATOMO 248 N GLY 31 16,370 83,318 7,670 1.00 0.17 1SG 249 ATOM 249 C? "GLY 31 17,534 84,063 8,057 1.00 0.17 1SG 250 ATOMO 250 C CLY 31 17,314 85.4B6 7.647 1.00 0.17 1SG 251 ATOMO 251 OR GLY 31 16,373 85,790 6,917 1.00 0.17 1SG 252 ATOMO 253 H AL? 32 18.304 86.394 8.100 1.00 0.26 1SG 253? TOMO 253 CA L? 32 18,069 87,786 7,779 1.00 0.26 1SG 254 ATOMO 254 CB ALA 32 19,036 88,698 8,555 1.00 0.26 1SG 255 ATOM 255 C AL? 32 18,361 87,941 6,323 1.00 0.26 1SG 356 ATOM 256 OR? L? 33 19,239 87,270 5.7B3 1.00 0.26 1SG 357 ATOMo 257 N TYR 33 17,632 88,851 5,656 1.00 0.37 1SG 258 ATCMo 258 CA TYR 33 17,742 89,029 4,237 1.00 0.37 1SG 259 ATOM 259 CB TYR 33 16.403 88.888 3.494 1.00 0.37 1SG 260 ATOMo 260 CG TYR 33 15.701 87.652 3.939 1.00 0.37 1SG 261 ATOMO 261 CDl TYR 33 16,014 86,413 3,431 1.00 0.37 1SG 262 ATOMO 262 CD2 TYR 33 14.701 87.754 4.878 1.00 0.37 1SG 263 ? TOMO 263 CEI TYR 33 15,336 85,295 3,863 1.00 0.37 16G 264? TOMO 264 CBS TYR 33 14,020 B6,642 5,313 1.00 0.37 1SG 265 ATOM 265 CZ TYR 33 14,340 85,408 4,804 1.00 0.37 1SG 266 ATOM 266 OB TYR 33 13,646 84,261 5,243 1.00 0.37 1SG 267 ÁTOMO 267 c TYR 33 18.105 90.462 3.998 1.00 0.37 1SG 268 ATOMO 268 or TYR 33 18,011 91,297 4,896 1.00 0.37 15G 269 ÁTOMO 269 M SER 34 18,565 90,773 2,768 1.00 0.30 1SG 270 ATOM 2 * > 0 C? SER 34 18,837 92,136 2,411 1.00 0.30 1SG 271 ÁTOMO 271 CB SER 34 19,977 92,293 1,390 1.00 0.30 1SG 272 ATOMO 272 OG SER 34 21,202 91,842 1,949 1.00 0.30 1SG 273 ÁTOMO 273 C SER 34 17.S92 92,664 1,776 1.00 0.30 1SG 274? TOMO 274 0 SER 34 16,777 91,896 1,264 1.00 0.30 1SG 275 ÁTOMO 275 N PRO 35 17,383 93,950 1,821 1.00 0.24 1SG 276? TOMO 276 C? PRO 35 16.224 94.476 1.167 1.00 0.24 1SG 277? TOMO 277 CD PRO 35 17.816 94.788 2.923 1.00 0.24 1SG 278? TOMO 278 CB PRO 35 16.024 95.891 1.717 1.00 0.24 1SG 279? TOMO 279 CG PRO 35 17.306 96.182 2.527 1.00 0.24 1SG 280 ÁTOMO 280 C PRO 35 16,414 94,377 -0,309 1.00 0.24 - 1SG 281 ATOMO 381 OR PRO 35 17,086 95,235 -0,882 1.00 0.24 1SG 282 ÁTOMO 282 N GLU 36 15.796 93.358 -0.938 1.00 0.28 1SG 283 ATOMo 283 CA GLU 36 15,884 93,180 -2,356 1.00 0.28 1SG 284 ? TOMo 284 CB GLU 36 17,245 92,670 -2,865 1.00 0.28 1SG 385 ÁTOMO 285 CG GLU 36 1 .579 91,245 -2,422 1.00 0.28 1SG 286 ? TOMo 286 CD GLU 36 18,911 90,862 -3,049 1.00 0.28 1SG 287 ATOMO 287 oei GLU 36 18.954 90.706 -4.299 í.oo 0.28 1SG 288 ÁTOMO 288 OES GLU 36 19.906 90.723 -2.288 l.OO 0.28 1SG 289 ATOMO 289 C GLU 36 14.B78 92.137 -2.725 1.00 0.28 1SG 290 TOMO 290 O GLU 36 14,517 91,286 -1,912 1.00 0.28 1SG 291 ATOMO 291 N? S? 37 '14,393 92,191 -3,978 1.00 0.30 1SG 292 ATOM 292 C? ? SP 37 13.415 91.251 -4.436 1.00 0.30 1SG 293 ÁTOMO 293 CB? SP 37 12,885 91,582 -5,842 1.00 0.30 1SG 294 ? TOMo 294 CG ASP 37 11.706 90.667 -6.145 1.00 0.30 1SG 295 ÁTOMO 295 OD1 ÁSP 37 11.405 89.773 -5.310 1.00 0.30 1SG 296 ATOMo 296 OD2 ASP 37 1Í.086 90.853 -7.226 1.00 0.30 1SC 297 ÁTOMO 297 C? SP 37 14,020 89.8B2 -4.499 1.00 0.30 1SG 298 ÁTOMO 298 O ASP 37 13,423 88,916 -4,026 1.00 0.30 1SG 299 ATOMO 299 N ASN 38 15,227 89,754 -5,088 1.00 0.32 1SG 300 ATOMO 300 C? ASN 38 15.808 88.444 -5.19B 1.00 0.32 1SG 301 ATOM 301 CB ASH 38 16,651 88,257 -6,472 1.00 0.32 1SG 302 ATOMO 302 CG? SN 38 15,715 88,249 -7,675 1.00 0.32 1SC 303 ATOMO 303 OD1? SN 38 14.501 88.106 -7.540 1.00 0.32 1SG 304 ATOMO 304 ND2? SN 38 16,300 B8.393 -8.894 1.00 0.32 1SG 305 ATOMO 305 C ASN 38 16,722 88,253 -4.02B 1.00 0.32 1SG 306 ATOM 306 OR ASH 38 17,941 88,343 -4,157 1.00 0.32 1SG 307 ÁTOMO 307 N SER 39 16.129 87.978 -2.851 1.00 0.48 1SG 308 ATOMO 308 CA SER 39 16,810 87,823 -1,597 1.00 0.48 1SG 309 ATOMO 309 CB SER 39 15,861 87,925 -0,392 1.00 0.4B 1SG 310 ÁTOMO 310 OG 'SER 39 15,314 89,231 -0,308 1.00 0.48 1SG 311 ATOMO 311 C SER 39 17,535 86,510 -1,448 1.00 0.4B 1SG 312 ATOMO 312 0 SER 39 18,534 86,442 -0.737 1.00 0.4B 1SG 313 ATOM 313 N TKR 40 17,061 85,405 -2,055 1.00 0.54 1SG 314 ATOMO 314 C? TBR 40 17,721 84,170 -1.709 1.00 0.54 1SG 315 ATOMO 315 CB THR 40 16,821 83,202 -0,997 1.00 0.54 1SG 316 ? TOMO 316 OG1 THR 40 15,745 82,821 -1,841 1.00 0.54 1SG 317 ATOMO 317 .CG2 TBR 40 16,283 83,878 0.276 1.00 0.54 1SG 318 ATOM 318 C TBR 40 18,276 83,447 -2,899 1.00 0.54 1SG 319 ATOMO 319 OR THR 40 17.733 83.482 -4.001 1.00 0.54 1SG 320 ÁTOMO 320 N GLN 41 19,415 82,757 -2,678 1.00 0.31 1SG 321 ATOM 321 C? GLN 41 20,021 81,948 -3,694 1.00 0.31 1SG 322 ATOMO 332 CB GLN 41 21,552 82,067 -3,738 1.00 0.31 1SG 323 ATOMO 323 CG GLN 41 22,071 83,453 -4,118 1.00 0.31 1SG 324 ÁTOMO 324 CS GLN 41 23,581 83,418 -3,944 1.00 0.31 1SG 325 ATOMO 325 oei GLN 41 24,283 84,384 -4,235 1.00 0.31 1SG 326 ÁTOMO 326 ME2 GLH 41 24.101 82.266 -3. 43 1.00 0.31 1SG 327 ATOMO 327 c GLN 41 19,738 80,532 -3,297 1.00 0.31 1SG 328 ÁTOMO 328 O GLN 41 19,972 B0.153 -2,150 1.00 0.31 15G 329 ATOMO 339 N TRP 42 19,207 75,715 -4,229 1.00 0.13 1SG 330 ATOM 330 C? TRP 42 18,948 78,336 -3,910 1.00 0.13 1SG 331 ATOMO 331 CB TRP 42 17,531 77,840 -4,248 1.00 0.13 1SG 332 ATOMO 333 CG TRP 42 16,469 78,313 -3,291 1.00 0.13 1SG 333 ATOMO 333 CDS TRP 42 16,139 77,634 -2,069 1.00 0.13 1SG 334 ATOMO 334 CDl TRP 42 15,660 79,406 -3,359 1.00 0.13 1SG 335 ATOMO 335 NEI TRP 42 14,849 79,450 -2,253 1.00 0.13 1SG 336 ATOM 336 CB2 TRP 42 15,130 78,368 -1,451 1.00 0.13 1SG 337 ATOMO 337 CE3 TRP 42 16,638 76,495 -1.506 1.00 0.13 1SG 338 ATOMO 338 CZ2 TRP 42 14.601 77.977 -0.255 í.ss 0.13 1SG 339 ÁTOMO 339 CZ3 TRP 42 16.101 76.100 -0.301 1.00 0.13 1SG 340 ATOMO 340 CH2 TRP 42 15.101 76.827 0.312 1.00 0.13 1SG 341 ? TOMO 341 -C TRP 42 19,895 77,498 -4.701 1.00 0.13 - 1SG 342 ÁTOMO 342 0 TRP 42 20,223 77,832 -5,836 1.00 0.13 1SG 343 ÁTOMO 343 N PBE 43 20,367 76,385 -4-099 1.00 0.11 1SG 344 ATOMo 344 CA PHE 43 21.302 75.544 -4.787 1.00 0.11 1SG 345 ÁTOMO 345 CB PHE 43 22,711 75,557 -4,166 1.00 0.11 1SG 346 ÁTOMO 346 CG PBE 43 23,295 76,935 -4,278 1.00 0.11 1SG 347 ATOMo 347 CDl FHE 43 23,030 77,879 -3,322 1.00 0.11 1SG 348 ATOMO 348 CD2 PHE 43 24,113 77,351 -5,335 1.00 0.11 1SG 349 ÁTOMO 349 CEI PHE 43 23,572 79,139 -3,421 .os 0.11 1SG 350 ATOMO 350 CB2 PHE 43 24,658 78,510 -5,440 1.00 0.11 1SG 351 ÁTOMO 351 CZ PHB 43 24,386 79,457 -4,482 1.00 0.11 1SG 352 ATOMo 352 C PHE 43 '20,843 74,130 -4,693 1.00 0.11 1SG 353 ATOMo 353 OR PHB 43 20,285 73,695 -3,682 1.00 0.11 1SG 354 ATOMo 354 N HXS 44 21,065 73,353 -5,782 1.00 0.13 1SC 355 ATOM 355 C? HXS 44 20,777 71,948 -5,815 1.00 0.13 1SG 356 ÁTOMO 356 HDL MIS 44 18,580 69,494 -7.B13 1.00 0.13 1SC 357 ATOMo 357 CG HXS 44 19 * .360 70,111 -6,859 1.00 0.13 1SG 358 ATCMO 35B CB H? S 44 19.757 71.560 -6.902 1.00 0.13 1SG 359 ATOMO 359 HE2 HXS «4 19,059 67,948 -6,283 1.00 0.13 1SG 360 ATOMO 360 CD2 BXS 44 19,643 69,152 -5,935 1.00 0.13 1SG 361 ATOMO 361 CEI BXS 44 18,432 68,203 -7,422 1.00 0.13 1SC 362 ATOMO 362 C HIS 44 22,070 71,286 -6,166 1.00 0.13 1SG 363? TOMO 424 N AL? 53 12,693 83,502 -4,835 1.00 0.57 1SG 425 ATOMO 425 C? TO THE? 53 12.863 83.308 -3.621 1.00 0.57 1SG 426 ATOMO 426 CB ALA 53 11.846 84.457 -3.520 1.00 0.57 1SG 427 ATOM 427 C AL? 53 12.782 82.536 -2.306 1.00 0.57 1SG 428? TOMO 428 O? L? 53 13,156 81,373 -2,235 1.00 0.57 1SG 429? TOHO 429 M SER 54 12,264 83,191 -1,212 1.00 0.58 1SG 430 ATOMO 430 C? SER 54 12,293 B2,741 0.175 1.00 0.58 1SG 431 ATOMO 431 CB SER 54 11,521 83,693 1,105 1.00 0.58 1SG 432 ATOMUS * 432 OG SER 54 12,131 84,975 1,114 1.00 0.58 1SG 433 ÁTOMO 433 C SER 54 11,680 81,388 0.356 1.00 0.58 lSß 434 ATOMO 434 OR SER 54 12,214 80,553 1,090 1.00 0.58 1SG 435 ÁTOMO 435 N SER 55 10,517 81,132 -0.2SS 1.00 0.46 1S6 436 ATOMO 436 C? SER 55 9,984 79,811 -0,133 1.00 0.46 1SG 437 ÁTOMO 437 CB SER 55,524 79,757 0.347 1.00 0.46 1SG 438 ATOMo 438 OG SER 55 7,666 80,343 -0,618 1.00 0.46 1SG 439 ATOMo 439 C SER 55 10,047 79,255 -1.508 i.ss 0.46 1SG 440 ÁTOMO 440 OR SER 55 9.761 79.953 -2.479 1.00 0.46 1SG 441 ATOM 441 N TYR 56 10,485 77,992 -1,622 1.00 0.43 1SG 442 ATOMO 442 CA TYR 56 10,595 77,372 -2,903 1.00 0.43 1SG 443 ATOMO 443 CB TYR 56 12,067 77,058 -3,233 1.00 0.43 1SG 444 ATOMO 444 CG TYR 56 12,177 76,276 -4,493 1.00 0.43 1SG 445? VOLUME 445 CDl TYR 56 11.797 76.812 -5.701 1.00 0.43 1SG 446? VOLUME 446 CD2 TYR 56 12.710 75.010 -4.460 1.00 0.43 1SG 447? VOLUME 447 CEI TYR 56 11.919 76.076 - 6.B57 1.00 0.43 1SG 448 ATOM 448 CE2 TYR 56 12.836 74.270 -5.613 1.00 0.43 1SG 449? VOLUME 449 CZ TYR 56 12.436 74.803 -6.814 1.00 0.43 16G 450 ATOMO 450 OH TYR 55 12,563 74,048 -8,000 1.00 0.43 1SG 451 ÁTOMO 451 C TYR 56 9.801 76.113 -2.812 1.00 0.43 1SG 452 ATOMO 452 or TYR 56 10,155 75,196 -2,074 1.00 0.43 1SG 453 ATOMO 453 M PHS 57 8,684 76,046 -3,561 1.00 0.62 1SG 454 ATOM 454? PKE 57 7,847 74,888 -3,487 1.00 0.63 1SG 455 ATOMO 455 CB PHE 57 6,421 75,206 -2,996 1.00 0.62 1SG 456 ATOMO 456 CG PHE 57 5,802 76,189 -3,932 1.00 0.62 1SG 457 ATOMO 457 CDl PHE 57 5,086 75,764 -5,028 1.00 0.62 1SG «58 ATOMO 458 CD2 PEE 57 5,937 77,540 -3,710 1.00 0.62 1SG 459 ÁTOMO 459 CE1 PHE 57 4,514 7,671 -5,889 1.00 0.62 1SG 460 ATOMO 460 CES PHE 57 5.368 78.452 -4.567 1.00 0.62 1SG 461? TOHO 461 CZ PKE 57 4.655 78.018 -5.659 1.00 0.62 1SG 462 ATOMo 462 c PHE 57 7,760 74,286 -4,644 1.00 0.62 1SG 463 ATOMo 463 or PHE 57 7.SBS 74.986 -5.840 1.00 0.62 - 1SG 464 ÁTOMO 464 N XLE 58 7,914 72,952 • 4,921 1.00 0.54 1SG 465 ÁTOMO 465 CA XLS 58 7.807 72.349 -6.209 1.00 0.54 1SG 466 ATOMO 466 CB XLZ 5B 9.127 72.238 -6.929 1.00 0.54 1SG 467 ATOMO 467 CCS XLS 58 9.613 73.672 -7.192 1.00 0.54 1SG 468 ATOMO 468 CGl ILE 58 10,148 71,373 -6,163 1.00 0.54 1SG 469 ATOMO 469 CDl XLE 58 9.908 69.865 -6.239 1.00 0.54 1SG 470 ATOMO 470 C XLE 58 7.196 70.999 -6.075 1.00 0.54 1SG 471 ATOMO 471 OR XLS 58 7.445 70.281 -5.109 1.00 0.54 1SG 472 ATOMO 472 N? SP 59 6.318 70.643 -7.038 1.00 0.34 1SG 473 ATOMO 473 CA ASP 59. 5,869 69,286 -7,121 1.00 0.34 1SG 474 ATOMO 474 CB? SP 59 4,410 69,150 -7,587 1.00 0.34 1SG 475 ATOM 475 CG AS? 59 3,516 69,675 -6,473 1.00 0.34 1SG 476 ATOMO 476 OD1 ASP 59 4,061 70,282 -5,514 1.00 0.34 1SC 477 ATOM 477 OD2 ASP 59 2,277 69,465 -6,562 1.00 0.34 1SG 478 ATOMO 478 C ASP 59 6., 741 68.771 -8.189 1.00 0.34 1SG 479 ATOMO 479 OR ASP 59 6.411 67.882 -8.972 1.00 0.34 1SG 480 ATOMO 480 N ALA 60 7,950 69,337 -8,208 1.00 0.27 1SG B1 ATOM 481 C? TO THE? 60 8.903 68.892 -9.141 1.00 0.27 1SG 482 ATOMO 482 CB? L? 60 9.978 69.945 -9.459 1.00 0.27 1SG 483 ÁTOMO 483 C ALA 60 9.569 67.769 -B.4S2 1.00 0.27 1SC 484 ? TOMO 484 OR WING 60 10.713 67.472 -8.784 1.00 0.27 1SG 485? TCMO 485 M WING 61 1SG 486? TOMO 486 CA WING 61 1SG 487 ATOMO 487 CB WING 61 1SG 488? VOLUME 488 C WING 61 1SG 489 ATOMO 489 0 WING 61 1SG 490? TOMO 490 M TUR 62 1SG 491 ATOM 491 C? jTH 62 1SG 492? TOMO 492 CB TUR 62 1SG 493? TOMO 493 OG1 'THR 62 1SG 494? TOMO 494 CG2 THR 62 1SG 495 ATOMO 495 C THR 62 1SG 496? TOMO 496 0 TBR 62 1SG 497? VOLUME 497 N VAL 63 15G 498 ATOM 498 C? VAL 63 1SG 499 ATOMO 499 CB VAL 63 15G 500 ATOMo 500 CGl VAL 63 1SG 501 ATOM 501 CG2 VAL 63 1SG 502 ATOMO 502 C VAL 63 1SG 503 ATOM 503 0 VAL 63 1SG 504 ATOMO 504 N ASN 64 1SG 505 ATOMO 505 CA ASN 64 1SG 506 ATOM 506 CB ASN 64 1SG 507 ATOM S07 CG ASN 64 1SG 508 ATOMO 508 OD1? SN 64 1SG 509 ATOMO 509 ND2 ASN 64 1SG 510 ATOM 510 C ASN 64 1SG SU ATOM 511 0 ASN 64 1SG 512 ATOM 512 N ASP 65 1SG 513 ATOM 513 CA ASP 65 1SG 514? TOMO 514 CB? SP 65 1SG 515? VOLUME 515 CG 9 65 1SG 516? VOLUME 516 OD1 ASP 65 1SG 517? VOLUME 517 OD2? SP 65 1SG 518? VOLUME 518 C? SP 65 1SG 519 ? TOMO 519 0 ASP 65 1SG 520? TOMO 520 H SER 66 1SG 521 ATOMO 521 CA SER 66 1SG 522 ATOM 522 CB SER 66 1SG 523 ? TOMo 523 OG SER 66 1SG 524 ATOMo 524 C SER 66 1SG 525 ATOMo 525 OR SER 66? Ss 526 ATOMo S26 N GLY 67 1SG 527 ATOMo 527 CA GLY 67 1SG 528 ATOM 528 C GLY -67 1SG 529 ATOM 529 0 GLY 67 1SG 530? VOLUME 530 N GLU 68 1SG 531? VOLUME 531 CA GLU 68 1SG 532 ? TOMO 532 CB GLU 68 1SG S33 ATOMO 533 CG GLU 68 1SG 534 ATOM 534 CD GLU 68 1SG 535? VOLUME 535 GLU 68 '1SG 536 ATOMO 536 OE2 GLU 68 1SG 537 ATOMO 537 C GLU 68 1SG 538 ATOM 538 or GLU 68 1SG 539 ATOMUM 539 H TYR 69 1SG 540 ATOMo 540 CA TYR 69 1SG 541 ATOMo 541 CB TYR 69 1SG 542 ATOMO 542 CG TYR 69 1SG 543 ATOMO 543 CDl TYR 69 1SG S44 ATOM 544 CD2 TYR 69 1SG 545 ATOMO 545 CSl TYR 69 1SG 546 ? TOMO 546 CE2 TYR 69 16.507 71.087 -4.240 1.00 0.34 1SG 547 ATOMO 547 CZ TYR 69 16,275 69,733 -4,186 1.00 0.34 1SG 548 ATOMO 548 OH TYR 69 15,639 69,084 -5,265 1.00 0.34 1SG 549? VOLUME 549 C TYR 69 20,315 72,420 -0,037 1.00 0.34 1SG 5SO? VOLUME 550 OR TYR 69 20,468 72,053 1,127 1.00 0.34 1SG 551? VOLUME 551 N ARC 70 20,700 73,640 -0,468 1.00 0.33 1SG 552? TOMO 552 C? ? RG 70 21,233 74,613 0.442 1.00 0.33 1SG 553 ÁTOMO 553 CB? RG 70 23.767 74.627 0.507 1.00 0.33 1SG 554 ATOMO 5S4 CC • ARG 70 23.309 73.406 1.253 1.00 0.33 1SG 555 ATOM S55 CD ARG 70 24,330 73,368 1,424 1.00 0.33 1SG 556 ATOMO 556 ME ARG 70 25,431 72,997 0.119 1.00 0.33 1SG 557 ÁTOMO 557 CZ ARG 70 26,690 72,472 0.081 1.00 0.33 1SG 558 ÁTOMO 558 GEU? RG 70 27.408 72.344 1.235 1.00 0.33 1SG 559 ATOMO SS9 NHS ARG 70 27,226 72,071 -1.108 1.00 0.33 1SG 560 ATOM 560 C ARG 70 20,752 75,964 0.004 1.00 0.33 1SG 561 ATOMo 561 O ARO 70 20.274 76.125 -1.117 1.00 0.33 1SS 562 ATOMo 562 N CYS 71 20,625 76,972 0.900 1.00 0.26 1SG 563 ATOM 563 C? CYS 71 20,377 78,289 0.535 1.00 0.26 1SG 564 ATOMO 564 CB CYS 71 18,893 78,555 0.864 1.00 0.26 1SG 565 ATOMO 565 SG CYS 71 19,496 78,615 2,636 1.00 0.26 1SG 566 ÁTOMO 566 C CYS 71 21,235 79,307 1,221 1.00 0.26 1SG 567 ATOMO 567 OR CYS 71 21,949 78,991 2,172 1.00 0.26 1SG 568 ATOMO 56B M GLN 72 21,215 80,559 0.711 1.00 0.14 1SG 569 ATOMO 569 CA GLN 72 22,005 81,615 1.27B 1.00 0.14 1SG 570 ATCMO 570 C3 GLN 73 23.405 81.712 0.643 1.00 0.14 1SG 571 ÁTOMO 571 CG GLN 72 24.303 82.7B5 1,260 1.00 0.14 1SG 572 ÁTOMO 572 CD GLN 72 25,638 82,750 0.528 1.00 0.14 1SG 573 ATOMO 573 oei GLN 72 25.792 82.069 -0.485 1.00 0.14 1SG 574 ATOMO 574 NES GLN 72 26,634 83,512 1,054 1.00 0.14 1SG 575 ATOMO 575 C GLN 72 21,301 82,918 1,026 1.00 0.14 1SG 576? TOMO 576 O GLN 72 20,515 83,054 0.087 1.00 0.14 ISß S77 ATOMO 577 N THR 73 21,576 83,916 1,892 1.00 0.16 1SG S7S? TOMO 578 C? THR 73 21,012 85,228 1,773 1.00 0.16 1SG 579? TOMO 579 CB THR 73 20,152 85,599 2,951 1.00 0.1S 1SG 5B0 ATOMO 580 OG1 THR 73 19,141 84,620 3,135 1.00 0.16 1SG 5B1 ATOMO 581 CG2 THR 73 19,486 86,959 2,679 1.00 0.16 1SG 5B2 ATOMO 582 C THR 73 22,191 86,155 1,737 1.00 0.16 1SG 583 ATOMO 583 OR THR 73 23,325 85,730 1,942 1.00 0.16 16G 584 ATOMO 584 N ASN 74 21,971 B7,447 1,435 1.00 0.21 1SG 585 ATOKo 585 C? ASN 74 23,072 BB.36B 1,377 1.00 0.21 - 1SG 586? VOLUME 586 CB ASN 74 22,697 89,763 0.849 1.00 0.21 1SG 587 ATOMo 587 CG ASN 74 22,617 B9,670 -0,669 1.00 0.21 1SG 588 ATOMo 588 ODl ASM 74 22,270 90,635 -1,348 1.00 0.21 1SG S89 ATOMo 589 HD2? SN 74 22,961 88,475 -1,220 1.00 0.21 1SG 590 ATOMo S90 C ASN 74 23,669 88,525 2,743 1.00 0.21 1SG 591 ATOMo 591 OR ASN 74 24.859 88.807 2.867 1.00 0.21 1SG 592 ATOMo 592 N LEU 75 22,825 88,433 3,790 1.00 0.22 1SG 593 ATOMo 593 C? LEU 75 23,180 88,556 5,181 1.00 0.22 1SG 594 ATOMo 594 CB LEU 75 21.987 88.944 6.070 1.00 0.22 1SG 595 ATOMo 595 CG LEU 75 21,434 90,348 5,763 l.QO 0.22 1SG 596 ATOMo 596 CD2 LEU 75 22,562 91,388 5,672 1.00 0.22 1SG 597 ATOMo 597 COI LEU 75 20,333 90,745 6,759 1.00 0.22 1SG 598 ATOMo 598 C LEU 75 23.804 87.324 5.785 1.00 0.22 1SG 599 ATOMo 599 OR LEU 75 24,481 87,437 6,802 1.00 0.22 1SG 600 ATOMo 600 M SER 76 Z3. S74 86.107 S.251 1.00 0.32 1SG 601 ATOMo 601 C? SER 76 2 «". 037 84.956 5.989 1.00 0.32 1SG 602 ATOMo 602 CB SER 76 22,883 84,027 6,359 1.00 0.32 1SG 603 ATOMo 603 OS SER 76 22,213 83,551 5,240 1.00 0.32 1SG 604? VOLUME 604 c SER 76 25,017 84,125 5.215 1.00 0.32 1SG 605 ATOMO 605 OR SER 76 25,282 84,360 4,038 1.00 0.32 1SG 606? VOLUME 606 N THR 77 25,634 83. 42 5.909 1.00 0.43 1SG 607 ATOM 607 C? T * 8R 77 26,525 82,222 5,261 1.00 0.43 1SG 608 ATOM 60B CB THR 77 27,567 81,655 6,174 1.00 0.43 1SG 609 ATOM 609 OG1 THR 77 26,955 80,928 7,228 1.00 0.43 1SG 610 ATOMO 610 CG2 THR 77 28,385 82,825 6,745 1.00 0.43 1SG 611 ATOMO 611 C THR 77 25,663 81,111 4,734 1.00 0.43 1SG 612 ATOMO 612 OR THR 77 24,471 81,058 5,032 1.00 0.43 1SG 613 ATOM 613 N LEU 78 26,241 80,196. 3.928 1.00 0.27 1SG 614 ATOMO 614 CA LEU 78 25,474 79,156 3,293 1.00 0.27 1SG 615 ATOM 615 CB "LEU 78 26,307 78,312 2,309 1.00 0.27 1SG 616 TOMO 616 CG LEU 7B 25,499 77,245 1,545 1.00 0.27 150 617 ATOM 617 CD2 LEU 78 26,425 76,234 0.850 1.00 0.27 1SG 618 ATOMO 618 CDl LEU 78 24,498 77,891 0.572 1.00 0.27 1SG 619 ATOMo 619 C LEU 78 24,920 78,243 4,345 1.00 0.27 1SG 620 ATOMo 620 O LEU 78 25,581 77,931 5,333 1.00 0.27 1SG 621 ? TOMo 621 N SER 79 23,667 77,783 4,149 1.00 0.11 1SG 622 ? I take 622 C? BE 79 23,037 76,937 5,124 1.00 0.11 1SG 623 ATOMo 623 CB SER 79 21,513 76,815 4,955 1.00 0.11 1SG 624 ATOMo 624 OG SER 79 21,213 76,083 3.77S 1.00 0.11 1SG 625 ATOMo 625 C SER 79 23,595 75,557 5,010 1.00 0.11 1SG 626 ÁTOMO 626 OR BE 79 24,203 7S .200 4.001 1.00 0.11 1SG 627 ATOMO 627 N? SP 80 23 .417 74.752 6.079 1.00 0.14 1SG 628 ATOM 628 C? ? SF 80 23,841 73,383 6,047 1.00 0.14 1SG 629 ÁTOMO 629 CB? SP 80 23,747 72,664 7,406 1.00 0.14 iss 630 ATOMO 630 CG? SP 30 24,820 73 .215 8,338 1.00 0.14 1SG 631 ATOMO 631 ODl ASP 80 25,741 73,920 7,845 1.00 0.14 1SG 633 ATOM 632 0D2? SP 80 24,733 72,931 9,562 1.00 0.14 1SG 633 ATOMO 633 C ASP 80 22,908 72,703 5,097 1.00 0.14 1SG 634 ATOM 634 or ASP 80 21,786 73,158 4,880 1.00 0.14 SO 635 ATOM 635 N PRO 81 23,361 71,635 4,504 1.00 0.17 1SG 636 ATOMO 636 CA PRO 81 22,566 70,959 3,515 1.00 0.17 1SG 637 ATOM 637 CD PRO 81 24,783 71,457 4,267 1.00 0.17 1SG 638 ATOM 638 CB PRO Bl 23,545 70,174 2,637 1.00 0.17 1SG 639 ATOMO 639 CG PRO 81 24,867 70,176 3 .423 1.00 0.17 1SG 640 ATOMO 640 C PRO 81 21,445 70,127 4,045 1.00 0.17 1SG 641 ATOMO 641 OR PRO 81 21.50B 69.669 5.185 1.00 0.17 1SG 642 ATOM 642 N VAL 82 20,396 69,960 3,216 1.00 0.16 1SG 643 ATOMO 643 C? VAL 82 19,285 69,101 3,498 1.00 0.16 1SG 644 ÁTOMO 644 CB VAL 82 17,966 69,817 3,475 1.00 0.16 1SG 645 ÁTOMO 645 CGl VAL 82 16,840 68,794 3,699 1.00 0.16 1SG 646 ATOMO 646 CG2 VAL 82 18,008 70,940 4,524 1.00 0.16 1SG 647 ATOMO 647 C VAL 82 19,286 6B .130 2,359 1.00 0.16 1SG 648 ATOM 648 OR VAL 82 19,289 68,539 1,198 1.00 0.16 1SG 649 ATOMO 649 N GLN 83 19,288 66,815 2,656 1.00 0.14 1SG 650 ATOM 650 C? GLN 83 19,369 65,853 1,595 1.00 0.14 1SG 651 ATOMO 651 CS GLN 83 20,289 64,661 1,909 1.00 0.14 1SG 652 ATOMo 652 CG GLH 83 20,361 63,653 0.761 1.00 0.14 1SG 653 ATOMO 653 CD GLN 83 21,289 62 .516 1,166 1.00 0.14 1SG 654 ATOMO 654 OEl GLN 83 21,088 61,372 0.761 1.00 0.14 1SG 655 ATOMO 655 NE2 GLN 83 22,329 62,832 1,983 1.00 0.14 1SG 656 ATOMO 656 C GLN 83 18,000 6S .310 1,325 1.00 0.14 1SG 657 ÁTOMO 657 O GLN B3 17,266 64,946 2,241 1 .00 0.14 1SG 658 ATOMO 658 N LEU 84 17,623 65,249 0.031 1.00 0.13 1SG 659 ATOMO 659 CA LEU 84 16,313 64,773 -0,309 1.00 0.13 1SG 660 ATOM 660 CB LEU 84 15,463 65,842 -1,024 1.00 0.13? Ss 661 ÁTOMO 661 CG LEU 84 14- 045 65,379 -1.404 1.00 0.13 1SG 662 ATOM 662 CD2 LEU 84 13,376 66,379 -2,362 1.00 0.13 1SG 663 ATOM 663 CDl LEU 84 13,193 65,093 -0,157 1.00 0.13 1SG 664 ATOMO 664 C LEU 84 16,463 63 .601 -1,234 1.00 0.13 ISO 665 ATOM 665 OR LEU 84 17,358 63,578 -2 .077 1.00 0. 13 1SG 666 ATOMO 666 H GLU 85 15,609 62,565 -1 .067 1.00 0.13 1SG 667? TOMO 667 C? GLU 85 15.6S9 61,442 -1,962 1.00 0.13 1SG 668 ATOM 668 CB GLU 85 16.128 € 0.122 -1.323 1.00 0.13 1SG 669 ATOHO 669 CG GLU 85 17,623 60,111 -0,993 1.00 0.13 1SG 670 ATOMO 670 CD GLU 85 18,029 58,680 -0,673 1.00 0.13 1SG 671 ATOMO 671 OBI GLU 85 17,391 58,068 0.224 1.00 0.13 1SG 672 ÁTOMO 672 OE2 GLU 85 18,980 58,178 -1,330 1.00 0.13 1SG 673 ATOMO 673 C GLU '85 14,284 61,216 -2.S12 1.00 0.13 15G 674 ÁTOMO 674 O GLU 85 13,323 61,034 -1.765 1.00 0.13 1SG 675 ATOM 675 N VAL 86 14,161 61,211 -3,855 1.00 0.18 1SG 676 ATOMO * 676 C? • VAL 86 12,880 61,025 -4,470 1.00 0.18 1SG 677 ÁTOMO 677 CB VAL 86 12,628 61,986 -5,593 1.00 0.18 1SC 678 ATOMO 678 CGl VAL 86 11,244 61,699 -6,195 1.00 0.18 1SG 679 ATOM 679 CG2 VAL 86 12,774 63,413 -5,038 1.00 0.18 1SG 680 ATOMo 680 C VAL 86 12,831 59,631 -5,014 1.00 0.18 1SG 681 ATOMo 681 OR VAL 86 13,746 59,188 -5,708 1.00 0.18 1SG 682 ATOMo 682 M HIS 87 11.743 58.893 -4.710 1.00 0.34 1SG 683 ATOMo 683 C? HXS 87 11,681 57,522 -5,133 1.00 0.34 1SG 684 ATOMo 684 HDL HXS 87 13.107 57 .437 -2.117 1.00 0.34 1SG 685 ATOMo 685 CG HXS 87 12,856 56,525 -3,119 1.00 0.34 1SG 686 ÁTOMO 686 CB HXS 87 11,614 56,524 -3,963 1.00 0.34 1SG 687 ÁTOMO 687 HE2 HXS 87 14 .860 56,069 -2,186 1.00 0.34 1SG 688 ATOMO 688 CD2 BXS 87 13 .936 55,697 -3,147 1.00 0.34 1SG 689 ATOMO 689 CEI BIS 87 14,318 57,118 -1,593 1.00 0.34 1SG 690 ATOMO 690 C HXS 87 10,467 57,302 -5,978 1.00 0.34 1SG 691 ATOMO 691 OR HXS 87 9.539 58.109 -5.995 1.00 0.34 1SG 692 ATOMO 692 V XLS 88 10,485 56,205 -6,763 1.00 0.38 1SG 693 ATOMO 693 C? XLS 88 9.339 55. BS0 -7.542 1.00 0.38 1SG 694 ATOM 694 CB XLE 88 9.605 5S. B07 -9.024 1.00 0.38 1SG 695 ATOMO 695 CG2 XLE 88 10,824 54,912 -9,310 1.00 0.38 1SG 696 ÁTOMO 696 CGl XLE 88 8.323 55.418 -9.776 1.00 0.38 1SG 697 ATOMO 697 CDl XLE 88 8.409 55.623 -11.288 1.00 0.38 1SG 698 ? TOMO 698 C XLE 88 8,899 54,495 -7,072 1.00 0.38 1SG 699 ÁTOMO 699 O XLS 88 9.501 53.472 -7.396 1.00 0.38 1SG 700 ? TOMO 700 N GLY B9 7,809 54,464 -6,281 1.00 0.20 1SG 701 ATOM 701 C? GLY 89 7,304 53,227 -5,757 1.00 0.20 iss 702 ATOMO 702 c GLY 89 5,901 53 .499 -5,315 1.00 0.20 1SG 703 ? TOMO 703 OR GLY 89 5 .512 54,651 -5,141 1.00 0.20 1SG 704 ATOMO 704 N TRP 90 5,094 52,434 -5,147 1.00 0.12 1SG 705 ATOMO 705 C? TRP 90 3.723 52.586 -4.750 1.00 0 .12 1SG 706 ATOMO 706 CB TRP 90 2,880 51,313 -4,922 1.00 0.12 1SG 707 ATOMo 707 cs TRP 90 2.51B SI .031 -6.35B 1.00 0.12 1SG 708 ÁTOMO 708 CD2 TRP 90 1,448 51,700 -7,042 1.00 0.12 1SG 709 ATOMo 709 CDl TRP 90 3 .076 50,170 -7,258 1.00 0. 12 1SG • 710 ATOM 710 NEI TRP 90 2,414 50,255 -8,460 1.00 0.12 1SG 711 ATOMO 711 CE2 TRP 90 1.410 51.195 -8.341 1.00 0.12 1SG 712 ATOMo 712 CE3 TRP 90 0.569 52.657 -5.619 1.00 0.12 1SG 713 ATOMo 713 CZ2 TRF 90 0.486 51.642 -9.241 1.00 0 .12 1SG 714? TOMO 714 CZ3 TRP 90 -0.361 53.107 -7.529 1.00 0.12 1SG 715 ATOMO 715 CB2 TRP 90 -0.400 52.608 -8.815 1.00 0.12 1SG 716 ATOM 716 C TRP 90 3,580 53,037 -3,324 1.00 0.12 1SG 717 ATOMO 717 OR TRP 90. 2,663 53,800 -3,022 1.00 0.12 1SG 718? TOMO 718 N LEU 91 4,446 52,560 -2,403 1.00 0.26 1SG 719? TOMO 719 C? LEU 91 4,266 52,905 -1,015 1.00 0.26 1SG 720 ATOMO 720 CB LEU 91 3 .562 51,776 -0,239 1.00 0.26 1SG 721 ATOMO 721 CG LEU 91 3,157 52,126 1,203 1.00 0.26 1SG 723 ATOM 722 CD2 LEU 91 2.734 50.869 1.981 1.00 0.26 1SG 723 ATOMO 723 CDl LEU 91 2,079 53,222 1,222 1.00 0.26 1SG 724 ATOM 724 C LEU 91 5,614 53,138 -0,385 1.00 0.26 1SG 725 ATOMO 725 OR LEU 91 6.577 52.431 -0.677 1.00 0.26 1SG 726 ATOM 726 N LEU 92 5,719 54,138 0.522 1.00 0.38 ISO 727 ATOMO 727? LEU 92 6,998 54. 439 1,103 1.00 0.38 1SG 728 ATOM 728 CB LEU 92 7.560 55.735 0.473 1.00 0.38 1SG 729 ATOM 729 CG LEU 92 9,071 56,015 0.609 1.00 0.38 ISO 730? TOMO 730 CD2 LEU 92 9.55B 55.970 3.057 1.00 0.38 1SG 731 ATOM 731 CDl LEU 92 9,434 57,344 -0,076 1.00 0.38 1SG 732 ? TOMO 733 C LEU 92 6,810 54,634 2,588 1.00 0.38 1SG 733 ÁTOMO 733 O LEU 92 5.76B 55.108 3.043 1.00 0.38 1SG 734 ATOM 734 N LEU 93 7,804 54,221 3,402 1.00 0.28 1SG 735? TOMO 735 C? LEU 93 7.741 54.488 4.812 1.00 0.28 1ST 736? TCMO 736 CB LEU 93 8.3B5 53.414 5.695 1.00 0.28 1SG 737? TOMO 737 CG- LEU 93 8.272 53.774 7.184 1.00 0.28 1SG 738? TOMO 738 CD2 LEU 93 9.357 53.085 8.018 1.00 0.28 1SG 739 ATOM 739 CDl LEU 93 6,842 53,566 7,705 1.00 0.28 1SC 740 ATOM 740 C LEU 93 8,566 55,725 5,002 1.00 0.28 1SG 741 ÁTOMO 741 O LEU 93 9.775 55.710 4.770 1.00 0.28 1SG 742 ÁTOMO 742 H GLN 94 7,949 56,830 5,464 1.00 0.17 1SG 743 ATOMO 743 C? GLH 94 8.665 58.079 5.487 1.00 0.17 1SG 744? TOMO 744 CB GLN 54 7.823 59.244 4.936 1.00 0.17 1SG 745 ATOM 745 CG GLH 94 7,457 59,079 3,456 1.00 0.17 iss 746 ATOM 746 CD .GLH 94 6,482 60,183 3,068 1.00 0.17 1SG 747 ATOMO 747 O GLN 94 5,403 60,300 3,646 1.00 0.17 1SG 748 ATOM 748 NES GLN 94 6,867 61,016 2,063 1.00 0.17 15G 749 ATOMO 749 C GLN 94 9,119 58,445 6,869 1.00 0.17 1SG 750 ATOMO 750 O GLN 94 8,489 58,092 7,864 1.00 0.17 1SG 751 ATOMO 751 N? L? 95 10,270 59,157 6,949 1.00 0.22 1SG 752 ATOMO 752 C? ? L? 95 10.807 59.602 8.209 1.00 0.22 1SG 753 ATOM 753 CB? L? 95 11.868 58.652 B.789 1.00 0.22 1SG 754 ATOMO 754 C AL? 95 11,466 60,944 8,020 1.00 0.22 1SG 755 ÁTOMO 755 OR ALA 95 11.923 61.281 6.929 1.00 0.22 1SG 756 ATOM 756 N PRO 96 11,450 61,752 9,055 1.00 0.32 1SG 757 ATOM 757 C? PRO 96 12,110 63,037 9,060 1.00 0.32 1SG 759 ATOMO 758 CD PRO 96 10,425 61,656 10,079 1.00 0.32 1SG 759 ATOMO 759 CB PRO 96 11,422 63,855 10,153 1.00 0.32 1SG 760 ATOMO 760 CG PRO 96 10,741 62.B05 11,048 1.00 0.32 1SG 761 ATOMO 761 C PRO 96 13,591 62,923 9,280 1.00 0.32 1SG 762 ATOMO 762 OR PRO 96 14,314 63,852 8,921 1.00 0.32 1SG 763 ATOMO 763 N ARG 97 14,065 61,820 9,898 1.00 0.53 1SG 764 ATOMO 764 C? ARG 97 15,473 61,698 10,174 1.00 0.53 1SC 765 ATOM 765 CB ARG 97 15,898 62,263 11,541 1.00 0.53 1SG 766 ATOMO 766 CG ARG 97 15,826 63,783 11,675 1.00 0.53 1SG 767? TOMO 767 CD ARG 97 16,303 64,269 13,047 1.00 0.53 1SG 768 ÁTOMO 768 NE? RG 97 16,192 65,754 13,073 1.00 0.S3 1SG 769 ATOMO 769 CZ? RG 97 16,441 66,436 14,229 1.00 0.53 1SG 770 ATOM 770 NH1 ARG 97 16,772 65,759 15,367 1.00 0.53 1SG 771 ATOMO 771 NHS ARG 97 16,358 67,798 14,244 1.00 0.53 1SG 772 ATOM 772 C ARO 97 15,838 60,245 10,235 1.00 0.53 1SG 773 ÁTOMO 773 O? RG 97 14,998 59,389 10,508 1.00 0.53 1SG 774? TOMO 774 H TRP 98 17,112 59,947 9,899 1.00 0.63 1SG 775 ATOMO 775 C? TRP 98 17.708 58.639 9.981 1.00 0.63 ss 776 ATOM 776 CB TRP 98 19,044 58,563 9,225 1.00 0.63 1SG 777 ATOMo 777 CG TRP 98 18.963 5B.722 7.727 1.00 0.63 1SC 778 ATOMo 778 CD2 TRP 98 19,073 57,635 6,796 1.00 0.63 1SG 779 ATOMQ 779 CDl TRP 98"18,829 59,858 6,982 1.00 0.63 1SG 7B0 ATOMo 780 NEI TRP 98 IB.849 59.546 5.644 1.00 0.63 1SG 781 ATOMo 781 CE2 TRP 98 19,000 58,181 5,515 1.00 0.63 1SC 782 ATOMo 782 CE3 THP 98 19.231 56.293 6.993 1.00 0.63 1SG 783? TOMo 7B3 CZ2 TRP 98 19.0B3 57.388 4.406 1.00 0.63 1SG 784 ATOM 784 CZ3 TRP 98 1 * 9,308 55,495 5,873 1.00 0.63 1SG 785? TOMO 785 CHS TRP 98 19,235 56,033 4,604 1.00 0.63 1SG 786 ATOMO 786 C TRP 98 18,054 58,309 11,401 1.00 0.63 1SG 787 ATOMO 787 OR TRP 98 17,880 57,176 11,851 1.00 0.63 1SG 788 ATOMO 788 N VAL 99 18,595 59,298 12,142 1.00 0.34 1SG 7B9 ATOMO 789 C? VAL 99 19,048 59,025 13,477 1.00 0.34 1SG 790 ATOM 790 CB VAL 99 20,524 59,219 13,662 1.00 0.34 1SG 791 ATOM 791 CGl VAL 99 20.B63 58,957 15,139 1.00 0.34 1SG 792 ATOMO 792 CG2 VAL 99 21,271 58,304 12,676 1.00 0.34 1SG 793 ÁTOMO 793 C VAL 99 18,367 59,959 14,419 1.00 0.34 1SG 794 ATOMO 794 OR VAL 99 18,049 61,095 14,072 1.00 0.34 1SG 795 ATOM 795 N PKE 100 18,120 59,475 15,651 1.00 0.22 1SG 796 ATOMO 796 C? PHE 100 17,482 60,261 16,666 1.00 0.22 1SG 797 ATOMQ 797 CB PHE 100 16,050 59,805 17,011 1.00 0.22 1SG 798 ATOM 798 CG PHE 100 15,147 60,050 15.B50 1.00 0.22 1SG 799 ATOMO 799 CDl PHS 100 15,045 59,126 14,835 1.00 0.22 1SG 800 ATOMO 800 CD2 PHE 100 14,393 61,200 15-781 1.00 0.22 1SG 801 ATOMO B01 CEI PHE 100 14.210 59.348 13.765 1.00 0.22 1SG 802 ATOM 802 CE2 PBE 100 13.5S7 61,428 14,714 1.00 0.22 1SG 803 ATOMo 803 CZ PHS 100 13,464 60,501 13,970 1.00 0.22 1SG 804 ATOMo 804 C PHE 100 18,269 60,096 17,929 1.00 0.22 1SG 805 ATOMo 805 OR PHE 100 19.106 59.202 18.044 1.00 0.22 1SG 806 ATOMo 806 N LYS 101 18,022 60,982 18,914 1.00 0.37 1SG 807 ATOMo 807 CA LYS 101 IB.685 60.871 20.179 1.00 0.37 1SG 808 ATOM 808 CB LYS 101 19.121 62.219 20.781 1.00 0.37 1SG 809 ATOM 809 CG LYS 101 20,001 62,084 22,025 1.00 0.37 1SG 810 ATOMO 810 CD LYS 101 20,705 63,361 22,431 1.00 0.37 1SG 811 ATOMO Bll CS LYS 101 21,583 63,228 23,674 1.00 0.37 1SG 812 ATOM 812 HZ LYS 101 20,740 62,951 24,858 1.00 0.37 1SG 813 ATOM 813 C LYS 101 17,693 60,252 21,105 1.00 0.37 15G 814 ATOM 814 OR LYS 101 16,495 60,245 20,827 1.00 0.37 1SG 815 ATOMO 815 N GLU 102 18,163 59,687 22,231 1.00 0.39 1SG 816 ATOM 816 C? GLU 102 17,220 59,044 23,095 1.00 0.39 1SG 817 ATOMO 817 CB GLU 102 17,844 58,321 24,301 1.00 0.39 1SG 818 ATOMO 818 CG GLU 102 16,843 57,503 25,120 1.00 0.39 1SG 819 ATOM 819 CD GLU 102 17,615 56,757 26,198 1.00 0.39 1SG 820 ATOMO 820 OEl GLU 102 18,311 57,431 27,003 1.00 0.39 1SG 821 ATOM 821 OE2 GLU 102 17,521 55,500 26,228 1.00 0.39 1SG 822 ATOMO 822 C GLU 102 16,283 60,078 23,620 1.00 0.39 1SG 823 ATOM 823 OR GLU 102 16,670 61,220 23,667 1.00 0.39 1SG 824 ATOMO 824 N GLU 103 15,011 59,670 23,799 1.00 0.36 1SG 825 ATOMO B25 C? GLU 103 13,964 60,488 24,342 1.00 0.36 1SG 826 ATOM 826 CB GLU 103 14,455 61,396 25,484 1.00 0.36 1SG 827 ATOMO 827 CG CLU 103 13,329 62,144 26,202 1.00 0.36 1SG 828 ATOMO 828 CD GLU 103 13,884 62,673 27,516 1.00 0.36 1SG 829 ATOMo 829 OEl GLU 103 14,575 63,727 27,492 1.00 0.36 1SG 830 ATOM 830 OE2 GLU 103 13,629 62,021 28,564 1.00 0.36 1SG 831 ÁTOMO B31 C GLU 103 13.304 61.337 23.292 1.00 0.36 1SG 832 ATOHo 832 O GLU 103 12,292 61,973 23,577 1.00 0.36 1SG 833 ATOMO B33 N SP 104 13,805 61,348 22,040 1.00 0.43 1SG 834 ATOMO 834 C? ? SP 104 13,164 62,158 21,035 1.00 0.43 1SG 835 ATOM 835 CB? SP 104 14,062 62,472 19,824 1.00 0.43 1SG 836 ATOMO B36 CG? SP 104 15,128 63,467 20,261 1.00 0.43 1SG 837 ? TOMO 837 OD1? SP 104 14,791 64,371 21,072 1.00 0.43 1SG 838 ? TOMO 838 OD2? SP 104 16,289 63,343 19,786 1.00 0.43 1SG 839 ATOM 839 C? SP 104. 11,960 61,429 20,519 1.00 0.43 1SG 840 ATOM 840 OR SP 104 11,861 60,207 20,619 1.00 0.43 1SG 841 ATOM 841 N PRO 105 11,000 62,175 20,031 1.00 0.49 1SG 842 ATOMO 842 CA PRO IOS 9,848 61,540 19,444 1.00 0.49 1SG 843 ATOMO 843 CD PRO 105 10,635 63,393 20,738 1.00 0.49 1SG 844 ATOMO 844 CB PRO 105 8.700 62.541 19.551 1.00 0.49 1SG 845 ATOM 845 CG PRO IOS 9,098 63,424 20,745 1.00 0.49 1SG 846 ATOM 846 C PRO 105 10,124 61,111 18,035 1.00 0.49 1SG 847 ATOMO 847 OR PRO 105 10,660 61,908 17,226 1.00 0.49 1SG 848 ATOMO 848 N XLE 106 9.727 59.883 17.652 1.00 0.36 1SG 849 ATOMO 849 CA XLE 106 9.943 59. 73 16.295 1.00 0.36 1SC 850 ATOMO 850 CB XLE 106 10,523 58,093 16,165 1.00 0.36 1SG 851 ATOMO 851 CG2 XLE 106 10,559 57,725 14,672 1.00 0.36 1SG 852 ATOMO 852 CGl XLS 106 11.905 58.028 16.839 1.00 0.36 1SG 853 ? TOHo 853 CDl XLE 106 13,457 56,609 16,964 1.00 0.36 1SG 854 ATOMo 854 c XLE 106 8,601 59,479 15,637 1.00 0.36 1SG 855 ÁTOMO 855 0 XLS 106 7.648 58.886 16.143 1.00 0.36 1SG 856 ATOM B56 M HXS 107 B.487 60,185 14,495 1.00 0.24 1SG 857 ? TOMO 857 C? H S 107 7.250 60.266 13.772 1.00 0.24 1SG 858 ATOMO 858 ND1 H S 107 5.419 61.664 11.375 1.00 0.24 1SG 859 ATOMO 859 CG HXS 107 5,521 61,800 12,741 1.00 0.24 1SG 860 ATOMo BSO CB HXS 107 6.811 61.712 13.496 1.00 0.24 1SG 861 ATOM 861 MONTH KXS 107 3,359 62,008 12,134 1.00 0.24 1SG 862 ATOM 862 CD2 HIS 107 4,254 62,011 13,189 1.00 0.24 1SG 863 ATOM 863 CEI MIS 107 4,105 61,797 11,065 1.00 0.24 1SG 864 ATOMo 864 C HXS 107 7,455 59,623 12,437 1.00 0.24 1SG 865 ATOMo 855 OR HXS 107 8,426 59,919 11,743 1.00 0.24 1SG 866 ATOMo B66 H LEO 108 6,532 58,728 12,034 1.00 0.32 1SG 867 ATOMo 8S7 CA LEU 108 6,678 58,051 10,776 1.00 0.32 1SG 868 ? TOMo 868 CB LEU 108 7,053 56,568 10,922 1.00 0.32 1SG 869 ATOM 869 CG LEU 108 B.401 56.337 11.629 1.00 0.32 1SG 870 ATOMo 870 CD2 LEU 108 9,528 57,138 10,963 1.00 0.32 1SG 871 ATOMO 871 CDl LEU 108 8,722 54,838 11,741 1.00 0.32 1SG 872 ATOM 872 C LEU 10B 5,365 58,089 10,057 1.00 0.32 1SG 873 ATOMO 873 OR LEU 108 4,317 58,287 10,669 1.00 0.32 1SG 874 ATOMo 874 N ARG 109 5,391 57,926 8,715 1.00 0.56 1SG 875 ATOM 875 C? ? RG 109 4,152 57,926 7,992 1.00 0.56 ISG 876 ATOMO 876 CB? RG 109 3.759 59.308 7.445 1.00 0.56 1SG 877 ATOMo 877 CG ARG 109 2,437 59,292 6,678 1.00 0.56 1SG B7B ATOMo 873 CD ARG 109 1,919 60,679 6,297 1.00 0.56 1SG 879 ATOMo 879 HE ARG 109 2.988 61.367 5.522 1.00 0.56 1SG 880 ? TOMO 880 Z? RG 109 2,734 SI.825 4.262 1.00 0.56 1SG 881 ATOMo B91 HHl ARS 109 1,540 61,554 3,664 1.00 0.56 1SG 882 ATOMo BB2 NH2 ARO 109 3,674 62,558 3,597 1.00 0.56 1SG 883 ATOMO 883 C ARG 109 4,246 56,981 6,835 1.00 0.56 1SG 8B4 ATOM 834 OR ARG 109 5,286 56,856 6,190 1.00 0.56 1SG 885 ATOMS BBS N CYS 110 3.129 56.286 6.547 1.00 0.57 1SG 886 ATOMO 8B6 C? CYS 110 3,049 55,357 5,458 1.00 0.57 1SG 8B7 ATOMo 8B7 CB CYS 110 2,169 54,160 5,827 1.00 0.57 1SG 888 ATOM 888 SG CYS 110 2,263 52,785 4,659 1.00 0.57 1SG 889 ATOMo 889 C CYS 110 2,373 56,124 4,366 1.00 0.57 1SG 890 ATOMo 890 OR CYS 110 1,224 56,532 4,524 1.00 0.57 1SG 891 ATOMo 891 H HXS 111 3,069 56,339 3,228 1.00 0.38 19G 892 ATOMo 892 CA HXS 111 2,538 57,210 2,212 1.00 0.38 19G 893 ATOMo 893 ND1 HXS 111 3.845 59.725 -0.098 1.00 0.38 1SG 894 ATOMo 894 CG HXS 111 3,026 59,397 0 958 1.00 0.38 1SG 895 ATOMo 895 CB HIS 111 3,431 58,454 2,048 1.00 0.38 15G 896 ATOMo 896 K22 BXS 111 1,950 60,848 -0,391 1.00 0.38 1SG 897? VOLUME 897 CD2 HXS 111 1,872 60,091 0.765 1.00 0.38 1SG.89B ATOMO 898 CEI BXS 111 3.153 60.597 -0.874 1.00 0.38 1SG 899? TOMO 899 C HXS 111 2.419 56.523 0.884 1.00 0.38 1SG 900 ATOMO 900 0 RX5 lll "3,335 55,837 0.435 1.00 0.38 1SG 901 ATOM 901 N SER 112 1,273 56,736 0.198 1.00 0.32 1SG 902? VOLUME 902 C? SER 112 1,044 56,101 -1,070 í.oo 0.32 1SG 903 ATOMO 903 CB SER US -0.389 55.569 -1.218 1.00 0.32 1SG 904 ATOMO 904 OG SER 112 -0,492 54,787 -2,396 1.00 0.32 1SG 905 ATOMO 905 C SER 112 i.307 57,088 -2,172 1.00 0.32 1SG 906 ATOMO 906 OR BE US 1,242 58,302 -1,980 1.00 0.32 1SG 907 ATOMp 907 H TRP 113 1,638 56,569 -3,372 1.00 0.30 1SG 908 ATOMO 908 C? TRP 113 1,963 57,399 -4,497 1.00 0.30 1SG 909 ATOMO 909 CB TRP 113 2.495 56.585 -5.697 1.00 0.30 1SG 910 ATOM 910 CG TRP 113 2,901 57,379 -6,919 1.00 0.30 1SG 911 ATOMO 911 CD2 TRP 113 2.390 57.139 -8.240 1.00 0.30 1SG 912 ATOMO 912 CDl TRP 113 3.833 58.368 -7.040 l.OO 0.30 1SG 913? TOMO 913 NEI TRP 113 3.923 58.771 -8.351 1.00 0.30 1SG 914 ? TOMO 914 CE2 TRP 113 3,046 58,019 -9,102 1.00 0.30 1SG 915? TOMO 915 CE3 TRP 113 1,459 56,252 -8,700 1.00 0.30 1SG 916 ATOMO 916 CZ2 TRP 113 3.778 58.026 -10.441 1.00 0.30 1SG 917 ATOMO 917 C23 TRP 113 1,187 56,267 -10,050 1.00 0.30 1S5 918 ATOM 918 CHS TRP 113 1,834 57,138 -10,903 1.00 0.30 1SG 919 ? TOMO 919 C TRP 113 0.745 58.163 -4.903 1.00 0.30 15G 920 ÁTOMO 920 0 TRP 113 -0,351 57,617 -5,020 1.00 0.30 1SG 921 ATOMO 921 N LYS 114 0.922 59.4B2 -5.109 1.00 0.27 1SG 922 ATOMO 922 C? LYS 114 -0.135 60.350 -5.539 1.00 0.27 15G 923 ATOMO 923 CB LYS 114 -0.677 59.986 -6.931 1.00 0.27 1SG 924 ATOMO 924 CG LYS 114 0.364 60.164 -8.037 1.00 0.27 1SG 925 ATOMO 925 CD LYS 114 -0.039 59.543 -9.375 1.00 0.27 1SG 926? TOMO 926 CE LYS 114 -0.974 60.429 -10.198 1.00 0.27 1SG 927 ATOMO 927 HZ LYS 114 -1.297 S9.768 -11.480 1.00 0.27 1SG 928 ? TOMO 928 C LYS 114 -1,266 60,310 -4,557 1.00 0.27 1SG 929 ATOMO 929 0 LYS 114 -2,398 60,652 -4,895 1.00 0.27 1SG 930 ATOMO 930 H ASN 115 -0.9B1 59.925 -3.300 1.00 0.32 1SG 931 ATOMO 931 C? ASN 115 -1.970 59.921 -2.258 1.00 0.32 1SG 932? TOMO 932 CB ASH 115 -2.435 61.333 -1.958 1.00 0.32 1SG 933 ATOMO 933 CG ASN US -1.305 61.990 -1.078 1.00 0.32 1SG 934? TOMO 934 OD ASN 115 -0.700 61.364 -0.209 1.00 0.32 1SG 935 ATOMO 935 ND2 ASN 115 -1,011 63,380 -1,391 1.00 0.32 1SG 936 ATOM 936 C? SH US -3,177 59.11B -2,626 1.00 0.32 1SQ 937 ATOMO 937 OR ASN 115 -4.302 59.534 -2.353 1.00 0.32 1SG 938 ATOM 938 N THR 116 -2,997 57,932 -3,236 1.00 0.37 1SG 939 ATOMO 939 C? THR 116 -4,165 57,141 -3,495 1.00 0.37 1SG 940 ATOMO 940 CB THR 116 -3.909 55.918 -4.321 1.00 0.3- »1SG 941 ATOMO 941 OCl THR 116 -5.135 55.293 -4.672 1.00 0.37 1SG 942 ATOMO 942 CG2 THR 116 -3,039 54,961 -3,497 1.00 0.37 1SG 943 ATOMO 943 C THR 116 -4,668 56,703 -2,156 1.00 0.37 1SG 944 ATOM 944 OR THR 116 -3,888 56,517 -1,222 1.00 0.37 1SG 945 ÁTOMO 945 N ALA 117 -5,996 56,517 -2,030 1.00 0.24 1SG 946 ATOMO 946 C? ALA 117 -6.S70 56.202 -0.752 1.00 0.24 1SG 947 ATOMO 947 CB? L? 117 -8,090 55,960 -0.804 1.00 0.24 1SG 948 ATOMO 948 C ALA 117 -5,923 54,971 -0,212 1.00 0.24 1SG 949 ÁTOMO 949 OR ALA 117 -5,750 53.9B0 -0.917 1.00 0.24 1SG 950 ATOM 950 H LEU 118 -5,541 55,021 1,081 1.00 0.13 1SG 951 ATOMO 951 C? LEU 118 -4.872 53.905 1.683 1.00 0.13 1SG 952? TOMO 952 CB LEU 118 -3.382 54.199 1.945 1.00 0.13 1SG 953 ATOMo 953 CG LEO 118 -2,589 53,047 2,592 1.00 0.13 1SG 954 ATOMO 954 CD2 LEU 118 -1.222 53.539 3.100 1.00 0.13 1SG 955 ATOMO 955 CDl LEU 118 -2,463 51,846 1,644 1.00 0.13 1SG 956 ÁTOMO 956 C LEU 118 -5,514 53,602 3,006 1.00 0.13 1SG 957 ÁTOMO 957 O LEU 118 -5,848 54,502 3,774 1.00 0.13 1SG 958 ÁTOMO 958 N BXS 119 -5,714 52,300 3,301 1.00 0.15 1SG 959 ATOM 959 C? BXS 119 -6,265 51,906 4.S67 1.00 0.15 1SG 960 ATOM 960 HDl RXS 119 -B.B20 53,706 5.627 1.00 0.15 1SG 961 ATOMO 961 CG HXS 119- -8,548 52,949 4,510 1.00 0.15 1SG 962 ATOM 962 CB HXS 119 -7,782 51,660 4,549 1.00 0.15 1SG 963 ATOMO 963 HE2 HXS 119 -9,697 54,792 3,897 1.00 0.15 1SG 964 ATOMO 964 CD2 HXS 119 -9,091 53,626 3,461 1.00 0.15 1SG 965 ATOM 965 CEI HXS 119 -9,508 54,796 5,205 1.00 0.15 1SG 966 ATOMO 966 C HXS 119 -5,579 50,648 5,009 1.00 0.15 1SG 967 ATOMO 967 OR HIS 119 -4,757 50,091 4,284 1.00 0.15 1SG 968 ATOM 968 N LYS 120 -5,895 50-183 6,236 1.00 0.15 1SG 969? TOMO 969 C? LYS 120 -5,323 48,981 6,778 1.00 0.15 1SG 970 ATOMO 970 CS LYS 120 -5.7U 47,726 5,981 1.00 0.15 1SG 971? TOMO 971 CG LYS 120 -7,211 47,438 6,003 1.00 0.1S ISO 972? TOMO 972 CD LYS 120 -7,654 46,446 4,927 1.00 0.15 1SG 973 ATOMUM 973 CS LYS 120 -9,159 46,178 4,933 1.00 0.15 1SG 974 ATOM 974 HZ LYS 120 -9,537 45,384 3,742 1.00 0.15 1SG 975 ATOMO 975 C LYS 120 -3,828 49,079 6,773 1.00 0.15 1SG 976 ATOM 976 OR LYS 120 -3,147 48,236 6,191 1.00 0.15 1SG 977 ATOMO 977 M VAL 121 -3,270 50,096 7,459 1.00 0.12 1SG 978 ATOMO 978 C? VAL 121 -1,847 50,293 7,458 1.00 0.12 1SG 979 ATOMO 979 CB VAL 121 -1.443 51.742 7.478 1.00 0.12 1SG 980 ATOM 980 CGl VAL 121 - 0.090 51,832 7,578 1.00 0.12 ISO 981 ATOM 981 CG2 VAL 121 -2,025 52,431 6,232 1.00 0.12 1SG 982 ATOMO 982 C VAL 121 -1,240 49,648 8,662 1.00 0.12 1SG 983 ATOMO 983 OR VAL 121 -1.756 49.748 9 .775 1.00 0.12 1SG 984 ATOMO 984 H THR 122 -0,115 48,932 8. 447 1.00 0.20 1SG 985 ATOMO 985 C? THR 122 0.569 48.321 9.545 1.00 0.20 1SG 986 ATOMO 986 CB TBR 122 0.565 46.820 9.506 1.00 0.20 1SG 987 ATOM 987 OG1 THR 122 -0.770 46.335 9.535 1.00 0.20 1SG 988 ATOMO 988 CG2 THR 122 1.3C4 46.294 10.725 1.00 0.20 1SG 989 ATOMO 989 C THR 122 1,993 48,778 9,503 1.00 0.20 1SG 990 ATOMO 990 OR THR 122 2,590 4B. B95 8.433 1.00 0.20 1SG 991 ATOM 991 H TYR 123 2,562 49,073 10,688 1.00 0.31 1SG 992 ATOM 992 C? TYR 123 3.935 49.480 10.795 1.00 0.31 1SG 993 ATOM 953 CB TYR 123 4,175 50,652 11,755 1.00 0.31 1SG 994 ATOM 994 CG TYR 123 3,858 51,920 11,056 1.00 0.31 ISO 995 ATOMO 995 CDl TYR 123 3,569 52,379 10,913 1.00 0.31 1SC 996 ATOM 996 CD2 TYR 123 4,901 52,652 10,544 1.00 0.31 1SG 997 ATOMO 997 CEI TYR 123 2.334 53.568 10.261 1.00 0.31 1SG 998 ATOM 998 CE2 TYR 123 4.673 53 .835 9.896 1.00 0.31 1SG 999 ATOM 999 CZ TYR 123 3,391 54,291 9,756 1.00 0.31 16G1000? TOMO 1000 OH TYR 123 3 .181 5S .511 9.0B9 1.00 0.31 1SG1001 ATOMO 1001 C TYR 123 4,690 48,339 11,381 1.00 0.31 1SG1002 ATOM 1002 OR TYR 123 4,273 47,764 12,386 1.00 0.31 1SG1003 ATOM 1003 N LEU 124 5,843 47,994 10,770 1.00 0.32 1SG1004 ATOMO 1004? LEU 124 6.599 46. B77 11.259 1.00 0.32 1SG1005 ATCMO 1005 CB LEU 124 6.814 45.787 10. 192 1.00 0.32 1SG1006 ATOM 1006 CG LEU 124 5.515 45.183 9.624 1.00 0 .32 1SG1007 ATOMO 1007 CD2 LEU 124 4,590 44,673 10,739 1 .00 0.32 1SG1008 ATOMO 1008 CDl LEU 124 5.817 44.105 8.571 1.00 0.32 1SG1009 ATOMO 1009 C LEU 124 7,971 47,343 11,640 1.00 0.32 1SG1010 ATOMO 1010 OR LEU 124 8 .523 48,248 11,017 1.00 0.32 1SG1011 ATOM 1011 N GLN 125 8,543 46,757 12,714 1.00 0.33 1SG1012 ATOM 1012 C? GLH 125 9,913 47,045 13 .032 1.00 0.33 1SG1013 ? TOMO 1013 CB GLH 125 10,152 47,788 14 .359 1.00 0.33 1SG1014 ATOM 1014 CG GLN 125 9.779 47 .001 15,612 1.00 0.33 1SG1015 ATOM 1015 CD GLN 125 10,320 47,768 16,812 1.00 0.33 1SG1016 ÁTOMO 1016 OEl GLN 125 11,527 47,814 17,044 1.00 0.33 1SG1017 ATOM 1017 NE2 GLN 125 9.403 48.390 17.600 1.00 0.33 1SG1018 ATOMO 1018 C GLH 125 10,597 45,721 13,137 1.00 0.33 1SG1019 ATOM 1019 OR CLN 125 10. IBS 44,656 13,990 1.00 0.33 1SG1020 ATOMO 1020 N? SH 126 11,665 45,529 12,346 1.00 0.22 1SG1021 TOMO 1021 C? ASN 126 12 .397 44.297 12.359 1.00 0.22 1SG1022 ATOM 1022 CB ASN 126 '13 .085 44.005 13 .704 1.00 0.22 1SG1023 ATOMO 1023 CG ASU 126 14,202 45,024 13,875 1.00 0.22 1SG1024 ATOMO 1024 OD1? SN 126 14,904 45,347 12,919 1.00 0.22 1SG1025? VOLUME 1035 HD2 ASN 126 14,369 45,551 15,118 1.00 0.22 1SG1026? VOLUME 1026 C ASN 126 11,473 43,162 12,041 1.00 0.22 1SG1027 ÁTOMO 1027 OR ASN 126 n .685 42,036 12 .491 1.00 0.22 1SG1028? VOLUME 1028 H GLY 127 10,420 43,428 11,245 1.00 0.15 1SC1029 ATOMO 1029 C? GLY 127 9.55B 42.371 10.800 1.00 0.15 1SG1030 ATOMO 1030 c GLY 127 8,459 42,097 11,784 1.00 0.15 1SG1031 ATOM 1031 or GLY 127 7.6S1 41,197 11,556 1.00 0.1S 1SG1032 ATOMO 1032 N LYS 128 8.386 42.841 12 .907 1.00 0.28 1SG1033 ATOMO 1033 C? LYS 128 7.305 42.595 13.827 1.00 0.28 1SG1034 ATOM 1034 CB LYS 128 7.746 42.359 15.281 1.00 0.28 18G1035 ATOMO 1035 CG LYS 128 6.576 41.990 16.198 1.00 0.28 1SG1036 ATOMO 1036 CD LYS 128 6.996 41.432 17.558 1.00 0.28 1SG1037 ATOMO 1037 CB LYS 128 7,294 42,514 18,598 1.00 0.2B 1SG1038 ATOM 1038 NZ LYS 128 7,675 41,886 19,883 1.00 0.28 1SG1039 ATOM 1039 C LYS 128 6,427 43,808 13,822 1.00 0.2B 1SG1040 ATOMO 1040 OR LYS 128 6,920 44,933 13,880 1.00 0.28 1SG1041 ATOM 1041 N ASP 129 5,092 43,604 13,958 1.00 0.47 1SG1042 ? TOMO 1042 C? 'ASP 129 4,182 44,713 13,654 1.00 0.47 1SG1043 ATCMO 1043 CB? SP 129 2,781 44,323 13,141 1.00 0.47 1SG1044 ATOMO 1044 CG ASP 129 2.148 43.334 14.108 1.00 0.47 1SG1045 ATOMO 1045 OD1? SP 129 2,903 43,693 14,887 1.00 0.47 1SG1046 ATOM 1046 OD2 ASP 129 0.896 43,199 14,070 1.00 0.47 1SG1047 ATOMO 1047 C ASP 129 4.040 45.423 14.964 1.00 0.47 1SG1048 ATOMO 1048 OR A5? 129 3.732 44.821 15.991 1.00 0.47 1SG1049 ATOM 1049 M ARO 130 4.370 46.733 14.954 1.00 0.54 1SG10S0? TOMO 1050 C? ARG 130 4.239 47.624 16.073 1.00 0.54 1SG1051 ATOMO 1051 CB? RG 130 5.171 48.845 15.964 1.00 0.54 1SG1052 ATOMO 1052 CG ARG 130 5.312 49.632 17.271 1.00 0.54 1SG1053 ATOMO 1053 CD ARG 130 4,047 50,382 17,689 1.00 0.54 1SG10S4 ATOMO 1054 NE ARG 130 4,325 51,062 18,984 1.00 0.54 1SG1055 ATOMO 1055 CZ ARG 130 3,388 51,033 19,976 1.00 0.54 1SG10S6 ATOM 1056 NHL ARG 130 2,230 50,330 19,800 1.00 0.54 15G10S7 ATOMO 1057 NflS ARG 130 3,612 51,697 21,147 1.00 0.54 1SG10S8 ATOMO 1058 C ARG 130 2,835 48,152 16,192 1.00 0.54 1SG1059 ATOM 1059 OR ARC 130 2,308 48,302 17,293 1.00 0.54 1SG1O60 ATOMO 1060 N LYS 131 2,196 48,478 15,048 1.00 0.34 1SG1061 ATOMO 1061 C? LYS 131 0.921 49.141 15.109 1.00 0.34 1SG1062 ATOMO 1062 CB LYS 131 1,106 50,668 15,097 1.00 0.34 1SG1063 ATOMO 1063 CG LYS 131 0.168 51.511 15.150 1.00 0.34 1SG1064 ATOM 1064 CD LYS 131 0.143 53.009 15.235 1.00 0.34 1SG1065 ATOMO 1065 CE LYS 131 1,058 53,916 13,962 1.00 0.34 1SG1066 ATOMO 1066 NZ LYS 131 0.665 55.338 15.068 1.00 0.34 13G1067 ATOM 1067 C LYS 131 0.121 48.809 13.888 1.00 0.34 1SG1068 ATOM 1068 or LYS 131 0.657 48,725 12,784 1.00 0.34 1SG1069 ATOMO 1069 H TYR 132 1,202 48,610 14,067 1.00 0.18 1SG1070 ATOMO 1070 CA TYR 132 2,073 48,392 12,952 1.00 0.18 1SG1071 ATOM 1071 ca TYR 132 2.590 46.941 12.832 1.00 0.18 1SG1072 ATOMO 1072 CG TYR 132 3,692 46,919 11,840 1.00 0.18 1SG1073 ATOMo 1073 CDl TYR 132 3,441 46,903 10,488 1.00 0.18 1SG1074 ATOMO 1074 CD2 TYR 132 4,999 46,936 12,267 1.00 0.18 1SG107S ATOM 1075 CEI TYR 132 4,474 46,888 9,581 1.00 0.18 1SG1076 ATOMO 1076 CES TYR 132 6.037 46.920 11.364 1.00 0.18 1SG1077 ATOMO 1077 CZ TYR 132 5,774 46,893 10,016 1.00 0.18 1SG10 8 ATOM 1078 OH TYR 132 6,827 46,877 9,078 1.00 0.18 1SG1079 ATOMO 1079 C TYR 132 3,270 49,277 13,136 1.00 0.18 1SG1080 ATOMO 1080 O TYR 132 3.826 49.344 14.229 * 1.00 0.1B 1SG1081 ATOMO 1081 N PHB 133 3.674 50.009 12.073 1.00 0.16 1SG1082 ATOMO 1082 C? PXE 133 4.842 50.847 12.146 1.00 0.16 1SG1083 ATOM 1083 CB PHE 133 4,561 52,324 12,491 1.00 0.16 1SG1084 ATOMO 1084 CG FHE 133 4,409 52,420 13,969 1.00 0.16 1SG1085 ATOMO 1085 CDl PHE 133 3.262 51.996 14.S96 1.00 0.16 1SG1086 ATOM 1086 CD2 PKE 133 5.424 52. 51 14.731 1.00 0.16 1SG1087 ATOMO 1087 CEI PHE 133 3.140 52.090 15.962 1.00 0.16 1SG1088 ATOM 1088 CS2 PHE 133 5-307 53,049 16,097 1.00 0.16 1SG1089 ATOMO 1089 CZ PKE 133 4.161 52.615 16.716 1.00 0.16 1SG1090 ATOM 1090 c PHE 133 5,527 50,820 10,821 1.00 0.16 1SG1091 ATOM 1091 OR PHE 133 4,886 50.B46 9.774 1.00 0.16 1SG1092 ATOM 1092 N HXS 134 6,869 50,736 10,828 1.00 0.26 1SG10 3 ATOMO 1093 C? HXS 134 7.547 50.719 9.569 1.00 0.26 13G1094 ATOMO 1094 NDl HXS 134 9,410 47,923 9.166 1.00 0.26 1SG1095? TOMO 1095 CG BXS 134 -9.255 48.944 10.077 1.00 0.26 1SG1096? TOMO 1096 CB BXS 134 -9.039 50.378 9.697 1.00 0.26 1SG1097? VOLUME 1097 HEZ HXS 134 -9.537 46.998 11.184 1.00 0.25 1SG1098 ? TOMO 1098 CD2 BXS 134 -9.334 48.361 11.304 1.00 0.26 1SG1099? VOLUME 1099 CEI BXS 134 -9.576 46.782 9.881 1.00 0.26 1SGU00 ATOM 1100 C HSS 134 -7,425 52,058 8,902 1.00 0.26 1SG1101 ÁTOMO 1101 0 HXS 134 -7,150 52,143 7,709 1.00 0.26 1SG1102? VOLUME 1102 N BXS 135 -7,712 53,133 9.650 1.00 0.40 1SG1103 ÁTOMO 1103 CA 'BXS 135 -7,716 54,478 9,124 1.00 0.40 1SG1104? VOLUME 1104 ND1 HXS 135 -8,378 55,032 13,360 1.00 0.40 1SG1105 ATOMO 1105 CG BXS 135 -8,228 55,796 11,324 1.00 0.40 1SCU06? VOLUME 1106 CB HXS 135 -8,708 55,391 9,862 1.00 0.40 1SG1107? TOHO 1107 HEZ BXS 135 -7,331 56,889 12,977 1.00 0.40 1SGU0B ATOM 1108 CD2 HXS 135 -7,581 56,926 11,619 1.00 0.40 1SG1109? TOHO 1109 CSl HXS 135 -7,818 55,733 13,379 1.00 0.40 1SG1110 ? TOMo 1110 C HXS 135 -6,411 55,226 9,122 1.00 0.40 1SG1111 ATOMo llll O BXS 135 -6,136 55,962 8,176 1.00 0.40 1SG1112 ÁTOMO 1112 H ASN 136 -5,579 55,078 10,177 1.00 0.34 1SG1113 ATOM 1113 C? ASN 136 -4,497 56,015 10,365 1.00 0.34 1SG1114 ATOMO 1114 CB ASN 136 -4,255 56,339 11,847 1.00 0.34 1SG1115 ATOMO 1115 CG ASN 136 -3,317 57,529 11,904 1.00 0.34 1SCU16 ATOM 1116 OD1 ASN 136 -2,170 57,400 12,325 1.00 0.34 1SG1U7 ATOM 1117 ND2 ASH 136 -3,806 58,715 11,451 1.00 0.34 1SG1118 ATOMO 1118 C ASN 136 -3,187 55,580 9,769 1.00 0.34 1SG1U9 ATOM 1119 OR ASN 136 -2,653 54,518 10,075 1.00 0.34 1SG1120 ATOMO 1120 N SER 137 -2,651 56,454 B .892 1.00 0.23 1SG1121 ATOM 1121 C? SER 137 -1.429 56.362 8.136 1.00 0.23 1SG1122 ATOM 1122 CB SER 137 -1,431 57,298 6,916 1.00 23 1SG1123 ATOMO 1123 OG SER 137 -2,479 56,939 6,028 1.00 23 1SG1134 ATOMO 1124 C SER 137 -0.202 56,706 8.943, 00 23 15G1125 ATOMO 1125 0 SER 137 0.906 56,514 8.445, 00, 23 1SG1126 ATOMO 1126 N? SP 138 -0.334 57.310 10.147, 00 0.21 1SG1127 ATOMO 1127 CA? SP 138 0.853 57.763 10.337, 00 0.21 1SGU2B ATOMO 1128 CB? SP 138 0.793 59.245 11.273 00 0.21 1SG1129 ATOMO 1129 CG ASP 138 -0.332 59.471 12.231 00 0.21 1SG1130 ATOM 1130 OD1? SP 138 -0.325 58.810 13.354 .00 0.21 1SC1131 ATOM 1131 OD2? SP 138 -1,221 60,313 11,986 1.00 0.21 1SG1132 ATOM 1132 C? SP 138 1 - 179 56,931 12,047 1.00 0.21 1SG1133 ATOMo 1133 O? S? 138 0.353 56.172 12.550 1.00 0.21 1SGU34 ATOMo 1134 N PKE 139 2,442 57,061 12,525 1.00 0.22 1SG113S ATOMo 1135 CA PHE 139 2,972 56,316 13,635 1.00 0.22 1SGU36 ATOMo 1136 CB PHE 139 3 .793 55,124 13,910 1.00 0.22 1SG1137 ATOMo 1137 CG FHE 139 4 .421 54.316 14.1B6 1.00 0.22 1SG113B ATOMO 1138 CDl FHE 139 3,664 53,563 15,055 1.00 0.22 1SG113 ATOMo 1139 CD2 PHE 139 5,792 54,273 14,287 1.00 0.22 1SG1140 ATOM 1140 CEI PHE 139 4. 70 52,812 16,034 1.00 0.22 1SG1141 ATOMO 1141 CE2 FHE 139 6.404 53.523 15 .263 1.00 0.22 1SG1142 ATOMO 1142 CZ PHE 139 5,640 52,793 16,141 1.00 0.22 1SG1143 ATOMO 1143 c PBS 139 3.858 57.225 14.441 1.00 0.22 1SG1144? TOMO 1144 or PHE 139 4.645 57.992 13 .885 1.00 0.22 1SGU4S ÁTOMO 1145 H HXS 140 3,748 57,165 15,789 1.00 0.24 1SG1146? VOLUME 1146 C? BXS 140 4 .541 58,034 16,620 1.00 0.24 1SGU47 ATOMo 1147 NOl BXS 140 1,861 59,659 15,668 1.00 0.24 1SG1148 ATOMo 1148 CG HXS 140 2.970 60.039 16.391 1.00 0.24 1SG1149 ATOMO 1149 C3 HIS 140 .3 .716 59.128 17.321 1.00 0.24 1SG11S0? VOLUME 1150 NE2 BXS 140 2,223 61,801 15,196 1.00 0.24 1SG1151 ATOMO 1151 CD2 HXS 140 3 .178 61.350 16.090 1.00 0.24 1SG1152? VOLUME 1152 CE HXS 140 1,455 60,750 14,970 1.00 0.24 1SG1153? VOLUME 1153 C HXS 140 5,125 57,228 17,739 1.00 0.24 1SGUS4 ATOMO 1154 or HXS 140 4,444 56,404 18,347 1.00 0.24 1SG1155 ÁTOMO 1155 N XLE 141 6.419 57.455 18.041 1.00 0.25 1SG1156? TOMO 1156 CA ILE 141 7.045 56.791 19.144 1.00 0.25 1SG1157? TCMO 1157 CB XLE 141 8.257 56.002 18.742 1.00 0.25 1SG1158 ATOMO USB CG2 XLB 141 8.889 55.427 20.020 1.00 0.25 ISG1159 ATOM 1159 CGl XLE 141 7,895 54,928 17.704 1.00 0.25 1SG1160 ATOM 1160 CDl XLE 141 9.116 54.309 17,023 1.00 0.25 1SG11S1 ATOM 1161 C XLE 141 7,531 57,873 20,052 1.00 0.25 1SG1162 ATOMO 1162 0 XLE 141 8.477 58.587 19.723 1.00 0.25 1SG1163 ATOM 1163 H PRO 142 6.B92 5B.036 21.175 1.00 0.43 1SGU6 ATOM * 1164 C? "PRO 142 7,353 59,024 22,107 1.00 0.43 1SG1165 ATOM 1165 CD PRO 142 5,453 57,854 21,248 1.00 0.43 1SG1166 ATOM 1166 CB PRO 142 6,139 59,430 22,947 1.00 0.43 1SG1167 ATOMO 1167 CG PRO 142 5,083 58,350 22,652 1.00 0.43 1SG1168 ATOMO 1168 C PRO 142 8.466 58.424 22.903 1.00 0.43 15G1169 ÁTOMO 1169 0 PRO 142 8.483 57.204 23.054 1.00 0.43 1SG1170 ATOM 1170 N LYS 143 9,387 59,260 23,422 1.00 0.52 1SGU71 ATOM 1171 C? LYS 143 10,473 58,801 24,341 1.00 0.S2 15GU72 ATOMo 1172 CB LYS 143 10,025 58,371 25,651 1.00 0.52 1SG1173 ATOMO 1173 CG LYS 143 9.356 59.483 26.461 1.00 0.S2 1SG1174 ATOMO 1174 CD LYS 143 10,343 60,707 26,696 1.00 0.52 1SG117S ATOM 1175 CE LYS 143 9.553 61.806 27.508 1.00 0.52 1SG1176 ATOM 1176 HZ LYS 143 8,346 62,283 26-794 1.00 0.52 1SG1177 ATOMO 1177 C LYS 143 11,135 5,616 23,605 1.00 0.52 1SG1178 ATOM 1178 OR LYS 143 10,991 56,492 24,083 1.00 0.52 1SG1179 ATOMO 1179 N ALA 144 11.886 57.840 22.508 1.00 0.40 1SG11S0 ATOMO 1180? TO THE? 144 12.S33 56.758 21.817 1.00 0.40 1SG1181 ATOM 1181 CB? L? 144 13,097 57,155 20,441 1.00 0.40 1SC1182 ATOM 1182 C? L? 144 13,672 56,228 22,636 1.00 0.40 1SG11T3 ÁTOMO 1183 0 ALA 144 14,282 55,947 23,427 1.00 0.40 1SG1184 ATOM 1184 N THR 145 13,981 54,926 22,444 1.00 0.44 1SGU85 ATOMO 1185 C? THR 145 15,003 54,249 23,191 1.00 0.44 1SG11B6 ATOM 1186 CB THR 145 14,400 53,346 24,239 1.00 0.44 1SG1187 ATOM 1187 OG1 THR 145 13,520 54,104 25,056 1.00 0.44 1SG11B8 ATOM 1188 CG2 TBR 145 15,497 52,747 25,138 1.00 0.44 1SG1189 ATOMO 1189 C THR 145 15,788 53,422 22,200 1.00 0.44 1SG1190 ATOM 1190 OR THR 145 15,482 S3,410 21,010 1.00 0.44 1SG1191 ATOMO 1191 N LEU 146 16,840 52,724 22,675 1.00 0.63 1SG1192 ATOMO 1192 CA LEU 146 17,739 51,323 21,890 1.00 0.63 1SG1193 ATOM 1193 CB LEU 146 18,871 51,319 22,739 1.00 0.63 15GU94 ATOMO 1194 CG LEU 146 19,780 52,375 23,396 1.00 0.63 1SG1195 ATOM 1195 CD3 LEU 146 21,044 51,733 23,988 1.00 0.63 1SG1196 ÁTOMO 1196 CDl LEU 146 19,008 53,219 24,424 1.00 0.63 1SG1197 ÁTOMO 1197 C LEU 146 17,007 50,780 21,252 1.00 0.63 15GU98 ATOMo 1198 0 LEU 146 17,373 50,337 20,165 1.00 0.63 1SG1199 ATOMO 1199 N LYS 147 15,970 50,250 21,924 1.00 0.64 1SG1200 ATOMO 1200 C? LYS 147 15,234 49,124 21,415 1.00 0.64 1SG1201 ATOM 1201 CB LYS 147 14,155 48,611 22,381 1.00 0.64 1SG1202 ATOMO 1202 CG LYS 147 14.737 47.990 23.651 1.00 0.64 1SG1203 ATOMO 1203 CD LYS 147 15,708 46.B38 23,378 1.00 0.64 1SG1204 ATOMO 1204 CE LYS 147 15,081 45,661 22,626 1.00 0.54 1SG1205 ATOM 1205 HZ LYS 147 15,060 45,938 21,172 1.00 0.64 1SG1206? TCMO 1206 C LYS 147 14,553 49,511 20,138 1.00 0.64 1SG1207? VOLUME 1207 OR LYS 147 14,327 48,669 19,271 1.00 0.64 1SG120B? VOLUME 1208 N? SP 14B 14,198 50,802 20,011 1.00 0.39 15G1209 ATOM 1209 C? ? S? 148 13,491 51,371 18,897 1.00 0.39 1SG1210 ATOMO 1210 CB? SF 148 13,077 52,834 19,134 1.00 0.39 1SG1211 ATOMO 1211 CG? SP 148 11,977 52,847 20,187 1.00 0.39 1SG1212 ATOM 1212 ODl? SP 148 11,064 51,984 20,096 1.00 0.39 1SG1213 ATOMO 1213 ODS ASF 148 12,030 53,724 21,090 1.00 0.39 1SG1214 ATOM 1214 C ASP 148 14,314 51,324 17,639 1.00 0.39 1SG1215 ATOMO 1215 O? SP 148 13,763 51,464 16,551 1.00 0.39 1SG1216 ATOMO 1216 N SER 149 15.653 51.209 17.725 1.00 0.24 1SC1217 ATOM 1217 C? BE 149 16,434 51,189 16,513 1.00 0.24 1SG1218 ATOM 1218 CB SBR 149 17,948 51,047 16,748 1.00 0.24 1SG1219 ATOM 1219 OG SER 149 18,448 52,160 17,471 1.00 0.24 1SG1220 ? TOHO 1220 C SER 149 16,031 49,996 15,702 1.00 0.24 1SG1221 ATOM 1221 OR SER 149 15,620 48,977 16,252 1.00 0.24 1SG1222 ATOMO 1222 N GLY 150 16.118 50. 089 14.354 1.00 0.24 1SG1223 ATOMO 1223 C? GLY 150 15.795 48.914 13.596 1.00 0.24 1SG1224 ATOMO 1224 c GLY 150 15,308 49,233 12,229 1.00 0.24 1SG1225 ATOM 1225 or GLY 150 15,351 50,442 11. 818 1.00 0.24 1SG1226 ATOMo 1226 N SER 151 14,819 48,268 11,485 • 1.00 0.20 1SG1227 ATOM 1227 C? SER 151 14,351 48,492 10,149 1.00 0.20 1SG1228? TOMO 1228 CB SER 151 14,691 47,344 9,185 1.00 0.20 1SG1229? VOLUME 1229 OG SER 151 16,099 47,212 9,061 1.00 0.20 1SG1230? VOLUME 1230 C SER 151 12,862 48,605 10,193 1.00 0.20 1SG1231 ÁTOMO 1231 0 SER 151 12,174 47,715 10,692 1.00 0.20 1SG1232 ATOMO 1232 N TYR 152 13,327 49,722 9,661 i.ss 0.35 1SG1233 ATOMO 1233 CA TYR 152 10.906 49.925 9.663 1.00 0.35 1SG1234 ATOMO 1234 CB TYR 15S 10,463 51,277 10,254 1.00 0.35 1SG1235 ATOMO 1235 CG TYR 153 10,639 51,246 11,735 1.00 0.35 1SG1236? VOLUME 1236 CDl TYR 152 11. 873 51,440 12,314 1.00 0.35 1SG123? TOMO 1237 CD2 TYR 152 9,549 51,036 12,550 1.00 0.35 1SG123B ATOMO 1238 CEI TYR 152 12,015 51,412 13,682 1.00 0.35 1SG1239 ATOMO 1239 CE2 TYR 152 9,685 51,007 13,917 1.00 0.35 1SG1240? VOLUME 1240 Z TYR 152 10,921 51,195 14,465 1.00 0.35 1SG1241 ATOMO 1241 OH TYR 152 11,068 51,168 15,887 1.00 0.35 1SG1242 ATOMO 1242 C TYR 152 10,384 49,868 8,258 1.00 0.35 15G1243 ATOM 1243 0 TYR 152 11,039 SO .319 7.319 1.00 0.35 15G1244 ATOMO 1244 N FHS 153 9,174 49,282 8,100 1.00 0.75 1SG1245 ? TOMO 1245 CA FKZ 153 8,500 49,142 6,835 1.00 0.75 1SG1246 ATOM 1246 CB PKE 153 8.423 47 .706 6.276 1.00 0.75 1SG1247 ATOMO 1247 CG PHB 153 9.717 46.992 6.083 1.00 0.7S 1SG124B ATOMO 1243 CDl PHE 153 10,350 46,400 7.151 1.00 0.75 1SG1249 ATOMO 1249 CD2 PHE 153 10,267 46,861 4,828 1.00 0.75 1SG1250 ATOM 1250 CE1 PHE 153 11,531 45,716 6,977 1.00 0.7S 1SG1251 ATOMO 1251 CE2 PHE 153 11,445 46,177 4. 647 1.00 0.75 1SG1252 ATOMO 1252 Z PHE 153 12,083 45,607 5,724 1.00 0.75 1SG1253 ATOMO 1253 c PHE 153 7.044 49.335 7.134 1.00 0.75 1SG1254 ATORO 1254 or PHE 153 6.626 49.319 8.292 1.00 0.75 1SG125S ATOMo 1255 N CYS 154 6.226 49.481 6.071 1.00 0.86 1SG1256 ATOM 1256 C? CYS 154 4,807 49,626 6,230 1.00 0.86 1SG1257 ATOMO 1257 CB CYS 154 4,356 51,084 6,045 1.00 0.86 1SG1258 ATOMO 1258 SG CYS 154 2,557 51,224 5,915 1.00 0.86 1SG1259 ATOMO 1259 C CYS 154 4.117 48.817 5.167 1.00 0.86 1SG1260? TOHO 1260 0 CYS 154 4.680 48.544 4.108 1.00 0.86 1SG1261? VOLUME 1261 N? RG 155 2.870 48.380 5.451 1.00 0.56 1SG1262 ATOM 1262 C? ARG 155 2 .050 47,690 4,499 1.00 0.56 1SG1263? TOMO 1263 CB? RG 155 1,825 46,206 4,836 1.00 0.56 1SG1264 ATOM 1264 CG? RG 155 3,105 45,370 4,777 1.00 0.56 1SG1265 ATOMO 1265 CD ARG 1S5 2,895 43,891 5,109 1.00 0.56 1SG1266 ATOMO 1266 NB ARG 155 2,510 43,797 6,545 1.00 0.56 1SG1267? VOLUME 1267 CZ? RC 155 1 .952 42 .646 7 .022 1.00 0.56 1SG1268? VOLUME 126S NH1 ARG 155 1,743 41,593 6. 80 1.00 0.56 1SG1269 ATOMO 1269 NE2? RG 155 1,603 42,548 8,338 1.00 0.56 1SG1270 ÁTOMO 1270 C? RG 155 0.716 48.370 4.543 1.00 0.56 1SG1271 ATOMO 1271 O? RG 155 0.343 48.942 5. 569 1.00 0.56 1SG1272 ATOMO 1272 N GLY 156 -0.028 48.351 3 .416 1.00 0.35 1SG1273 ATOMO 1273 C? GLY 156 -1,322 48 .985 3 .400 í.os 0.35 1SG1274 ATOMO 1274 C GLY 1S6 -2,002 48,644 2,110 1.00 0.35 1SG1275 ATOMO 1275 OR GLY 156 -1.3S4 48.263 1.135 1.00 0.35 1SG1276 ATOMO 1276 H LEU 157 -3.344 48.794 2 .057 1.00 0.37 1SG1277? TOMO 1277 CA LEU 157 -4.007 48.431 0.841 1.00 0.37 1SG127B ATOM 1278 CB LEU 157 -5.300 47.603 1.002 1.00 0.37 1SG1279 ÁTOMO 1279 cs LEU 157 -6,616 48,389 1,183 1.00 0.37 1SG1280 ATONO 1280 CD2 LEU 1S7 -6,549 49,386 3,345 1.00 0.37 1SG1281 ATOM 1281 CDl LEU 157 -7,805 47,425 1,335 1.00 0.37 1SG1282 ATOM 1282 C LEU 157 -4,334 49,669 0.075 1.00 0.37 1SG1283 ATOM 1283 0 LEU 157 -4,844 50,650 0.612 1.00 0.37 1SG1284 ATOMO 1284 H VAL 158 -3.984 49,648 -1,333 1.00 0.25 1SG1285 ATOM 1285 CA VAL 158 -4,299 50,717 -2,117 1.00 0.25 1SG1286 ATOM 1286 CB VAL 158 -3.125 51,171 -3,939 1.00 0.25 1SG1287 ATOM 1287 CGl VAL 158 -3,625 52,124 -4,027 1.00 0.25 1SG1288? VOLUME 1288 CG2 VAL 158 -2,088 51,796 -1.981 1.00 0.25 1SG1289? VOL 1289 C VAL 158 -5,279 50,130 -3,065 1.00 0.25 15G1290? VOL 1290 0 VAL 158 -4,985 49,143 -3.738 1.00 0.25 1SG1291 ATOMo 1291 N GLY 159 -6,481 50,718 -3,149 1.00 0.14 1SG1292 ATOMo 1292 C? GLY 159 -7,440 50,118 -4,018 1.00 0.14 1SG1293 ATOMo 1293 c GLY 159 -7,690 48,744 • 3,486 1.00 0.14 1SG1294 ATOMo 1294 0 GLY 159 -8,016 48,562 -2,315 1.00 0.14 1SG1295 ATOMo 1295 H SER 160 -7.597 47.751 -4.385 1.00 0.21 1SG1296 ATOM 1296 C? SER 160 -7,836 46,363 -4,117 1.00 0.21 1SG1297 ÁTOMO 1297 CB SER 160 -8,189 4S.585 -5.397 1.00 0.21 1SG1298 ATOMO 1298 CG SER 160 -9,399 46,082 -5,951 1.00 0.21 15G1299 ATOMO 1299 C SER 160 -6,697 45,631 -3,469 1.00 0.21 1SG1300 ATOM 1300 OR SER 160 -6,940 44,695 -2,707 1.00 0.21 1SG1301 ATOMO 1301 N LYS 161 -5,428 45,995 -3.753 1.00 0.33 1SG1302 ATOMO 1302 C? LYS 161 -4,384 45,112 -3.306 1.00 0.33 1SG1303 ATOMO 1303 CB LYS 161 -3.423 44.675 -4.426 1.00 0.33 15G1304 ATOMO 1304 CG LYS 161 -4,077 43,773 -5,475 1.00 0.33 1SG1305 ATOMO 1305 CD LYS 161 -3.228 43.568 -6.732 1.00 0.33 1SG1306 ATOM 1306 CE LYS 161 -2,135 42,511 -6,567 1.00 0.33 1SG1307 ATOMO 1307 NZ LYS 161 -1,386 42,355 -7,833 1.00 0.33 1SG1308 ATOMO 1308 C LYS 161 -3,550 45,700 -2,217 1.00 0.33 1SG1309 ATOM 1309 OR LYS 161 -3,514 46,909 -1,998 1.00 0.33 1SG1310 ATOM 1310 N ASN 163 -2,847 44,800 -1,499 1.00 0.32 15G1311 ATOMO 1311 C? ASN 162 -1,996 45,168 • 0.406 1.00 0.32 1SG1312 ATOMO 1312 CB ASH 162 -1,860 44,057 0.653 1.00 0.32 1SG1313 ATOMO 1313 CO ASN 162 -0.975 44.545 1.794 1.00 0.32 1SG1314 ATOM 1314 OD1 ASM 162 0.206 44,834 1.613 1.00 0.32 1SG1315 ATOMO 1315 ND2 ASN 162 -1,568 44,637 3,015 1.00 0.32 1SG1316 ÁTOMO 1316 C ASN 163 -0,634 45,444 -0.958 1.00 0.32 1SG1317 ATOMo 1317 OR ASN 162 -0.169 44.764 -1.B72 1.00 0.32 1SC1318 ATOMo 1318 H VAL 163 0.037 46.480 -0.419 1.00 0.27 1SG1319 ATOMo 1319 C? VAL 163 1,352 46,811 -0,881 1.00 0.27 1SG1320 ATOMo 1320 CB VAL 163 1.412 48.149 -1.564 1.00 0.27 1SG1321 ATOM 1321 CGl VAL 163 2,865 48,442 -1,971 1.00 0.27 1SG1322 ÁTOMO 1322 C62 VAL 163 0.427 48.136 -2.746 1.00 0.27 1SG1323? TOMO 1323 C VAL 163 2,256 46,869 0.311 1.00 0.27 1SG1324 ÁTOMO 1324 0 VAL 163 1,803 47,074 1,437 1.00 0.27 1SG1325 ATOMO 1325 H SER 164 3,568 46,644 0.088 1.00 0.29 1SG1326 ÁTOMO 1326 CA SER 164 4,521 46,731 1,157 1.00 0.29 1SG1327 ATOMO 1327 CB SER 164 '5.214 45.401 1.489 1.00 0.29 1SG1328 ATOMO 1328 OG SER 164 6.044 45.006 0.409 1.00 0.29 1SG1339 ÁTOMO 1329 C SER 164 5,591 47,688 0,738 1.00 0.29 1SG1330 ATOM 1330 0 SER 164 5,981 47,717 -0,438 1.00 0.29 1SC1331 ATOMO 1331 N SER 165 6.086 48.513 1.672 1.00 0.20 1SG1332 ATOM 1332 C? BE 165 7.106 49.478 1.365 1.00 0.20 1SC1333 ATOM 1333 CB SER 165 7.030 50.750 2.228 1.00 0.20 1SG1334 ÁTOMO 1334 OG SER 165 7,351 50,442 3,577 1.00 0.20 1SG1335 ATOM 1335 C SER 165 8,449 48,865 1,616 1.00 0.20 1SC1336 ATOMO 1336 0 SER 165 8,562 47,791 2,206 1.00 0.20 1SG1337 ÁTOMO 1337 N GLU 166 9.S14 49,538 1,134 1.00 0.24 1SG1338 ATOMO 1338 CA GLU 166 10,849 49. OBI 1,386 1.00 0.24 1SG1339? VOLUME 1339 CB GLU 166 11.899 49.631 0.405 1.00 0.24 1SG1340? TOMO 1340 CG GLU 166 11.737 49.101 -1.022 1.00 0.24 1SG1341 ATOM 1341 CD GLU 166 12,830 49,716 -1.884 1.00 0.24 1SG1342? TOMO 1342 OBI GLU 166 14,005 49,735 -1,432 1.00 0.24 1SG1343 ATOMO 1343 OE2 GLU 166 12,500 50,180 -3,009 1.00 0.24 1SG13 4? VOLUME 1344 C GLU 166 11,199 49,563 2,758 1.00 0.24 1SG13 5? VOLUME 1345 OR GLU 166 10,560 50,471 3,286 1.00 0.24 1SG13 6 ATOM 1346 N THR 167 12,223 48,948 3,382 1.00 0.37 1SG1347 ATOMO 1347 CA "TBR 167 12,579 49,311 4,726 1.00 0.37 1SG1348 ATOM 1348 CB THR 167 13,348 48,260 5,469 1.00 0.37 1SG1349 ATOMO 1349 OG1 THR 167 13,474 48,621 6,836 1.00 0.37 1SG13S0 ATOMO 1350 CG2 THR 167 14,741 43,133 4,831 1.00 0.37 1SG1351 ATOMO 1351 c THR 167 13,464 50,514 4,734 1.00 0.37 1SG13S2 ATOMO 1352 0 THR 167 14.103 50.863 3.742 1.00 0.37 1SG1353 ATOM 1353 N VAL 168 13,478 51,191 5,899 1.00 0.32 1SG1354 ATOMo 1354 CA VAL 168 14,342 52,301 6,161 1.00 0.32 1SG1355 ÁTOMO 1355 ca VAL 168 13,619 53,606 6,332 1.00 0.32 1SG1356 ATOMO 1356 CGl VAL 168 14,652 54,707 6,628 1.00 0.32 1SG1357 ATOMO 13 S7 CG2 VAL 168 12.777 S3.870 5.071 1.00 0.32 15G1358 ATOMO 1358 c VAL 168 14,985 51,983 7,477 1.00 0.32 1SG1359 ATOM 1359 0 VAL 168 14,311 51,562 8,417 1.00 0.32 1SG1360 ATOMO 1360 H ASH 169 16,315 52,167 7,582 1.00 0.27 1SG1361 ATOMO 1361 C? ASN 169 16,961 51,845 8,820 1.00 0.27 1SG1362 ATOMO 1362 CB ASN 169 13.405 51.332 8.659 1.00 0.27 1SG1363 ATOM 1363 CG ASH 169 19,251 52 .419 8.010 1.00 0.27 1SG1364 ATOMO 1364 OD1 ASH 169 18,923 52,927 6,939 1.00 0.27 1SG1365 ATOM 1365 HD2 ASN 169 20,374 52,794 8,680 1.00 0.27 1SG1366 ÁTOMO 1366 C ASH 169 16,998 53,089 9.640 1.00 0.27 1SG1367 ATOM 1367 OR ASH 169 2.7.465 54.135 9.191 1.00 0.27 1SG1368 ATOMO 1368 N ILE 170 16,466 52,999 10,872 1.00 0.18 1SG1369 ATOM 1369 C? XLE 170 16,432 54,120 11,759 1.00 0.18 1SG1370 ATOM 1370 CB XLB 170 15,039 54,499 12,169 1.00 0.1B 1SG1371 ATOM 1371 CG2 XLS 170 15.12S 55,597 13 .239 1.00 0.18 1SG1372 ATOMO 1372 CGl XLE 170 14,219 54,903 10,933 l. QO 0.18 1SG1373 ATCMO 1373 CDl XLE 170 12,736 55,115 11,224 1.00 0.18 1SG1374 ATOMO 1374 C XLS 170 17,174 53,727 12,987 1.00 0.18 1SG1375 ATOMO 1375 OR ILE 170 16,957 52,654 13,549 1.00 0.18 1SG1376 ATOMO 1376 N TBR 171 18,089 54,595 13,443 1.00 0.23 15G1377 ATOMO 1377 C? THR 171 18,828 54,212 14,600 1.00 0.23 1SG1378 ATOMO 1378 CB THR 171 20,303 54,095 14,351 1.00 0.23 1SG1379 ATOM 1379 OG1 THR 171 20,555 53,121 13,348 1.00 0.23 1SG1380 ATOMO 1380 CG2 TBR 171 20,992 53,691 15,665 1.00 0.23 1SG1381 ATOM 1381 C THR 171 18,633 55,238 15,658 1.00 0.23 1SG1332 ATOMO 1382 OR THR 171 18,599 56,440 15,396 1.00 0.23 1SG13B3 ATOMO 1383 H ILE 172 IB .448 54,760 16,899 1 - 00 0.52 1SG1384 ATOMO 1384 C? XLE 172 18,446 55,666 17,987 1.00 0. 52 1SG1385 ATOMO 1385 CB XLE 172 17,615 55,233 19,175 1.00 0.52 1SG13B6 ATOM 1386 CG2 XLB 172 IB .032 53,833 19,655 1.00 0.52 1SG1387 ATOMO 1387 CGl XLS 172 17 .636 56.325 20.257 1.00 0.52 1SG138B ATOM 1388 CDl XLE 172. 16,588 56,119 21,349 1.00 0.52 1SC1389 ATOM 1389 C XLE 172 19. 882 55,716 18,301 1.00 0.52 1SG1390 ATOMO 1390 OR ILE 172 20,463 54,767 13,833 í.ss 0.52 1SG13 1 ATOMO 1391 N THR 173 20,493 56,859 17,933 1.00 0.62 1SG13 2 ATOM 1392 C? THR 173 21,892 57,061 18,114 1.00 0.62 1SG1393 ATOMO 1393 CB TBR 173 22,335 53,461 17,796 1.00 0.62 1SG1394 ATOMO 1394 OG1 THR 173 23 .7S2 53,546 17,821 1.00 0.62 1SG1395 ATOMO 1395 CG2 THR 173 21 .72B 59,430 18,825 1.00 0.62 1S013 6 ATOMO 1396 C TKR 173 22 .118 56,823 19,551 1.00 0.62 1SG1397 ATOMO 1397 OR THR 173 23 .170 56.335 19.960 1.00 0.62 1SG1398 ATOMO 1398 N GLH 174 21,099 57,144 20,363 1.00 0.51 1SG1399 ATOMO 1399? GLH 174 21,327 56,893 21,735 1.00 0.51 1SG1400 ATOM 1400 CB GLH 174 20,192 57,355 22,657 1.00 0.51 1SG1401 ATOMO 1401 CG GLN 174 20,594 57,287 24,130 1.00 0.51 1SG1402 ATOMO 1402 CD GLN 174 21.508 58. 471 24.408 1.00 0.51 1SG1403? VOLUME 1403 GLON 174 21.278 59.575 23 .917 1.00 0.51 1SG1404? VOLUME. 1404 HE2 GLN 174 22,579 58,237 25,212 1.00 0.51 1SG1405 ATOMO 1405 C GLN 174 21,464 55,387 21,896 1.00 0.51 1SG1406 ATOMO 1406 O GLN 174 20,520 54,662 21,485 1.00 0.51 1SG1407 ATOM 1407 O- T GLH 174 22,513 54,940 22,435 1.00 0.51 1SG1408 / The following examples are provided for purposes of illustration and are not intended to limit the scope of the present invention.

EXAMPLES Example 1 This example describes the construction of a recombinant baculovirus expressing the soluble Fc? Rl protein and the production of said protein. The recombinant pFc? Rl la molecule, containing a nucleic acid molecule encoding a soluble form of human Fc? RI I (sFc? Rlla), operably linked to transcriptional control sequences of the baculovirus polyhedron, was produced as follows. The sFcγR1 nucleic acid molecule was amplified by polymerase chain reaction (PCR) from approximately 100 nanograms (ng) of the Fc cDNA γ RMaLR (described in detail by the lerino, and others, J. Exp. Med. Vol. 178, pp. 1617-1628, 1993), using about 100 ng of initiator NR 1 having the nucleic acid sequence 5'-TAC GAA TCC CTA TGG AGA CCC AAA TGT CTC-3 '(denoted as SEQ. NO1), and the FI2 primer having the nucleic acid sequence 5Ó-CAT TCT AGA CTA TTG GAC AGT GAT GGT CAC-3 '(denoted as SEQ ID NO.

NO: 2), using standard PCR methods. The resulting PCR product is 510 base pairs (hereinafter referred to as sFc? Rlla (a)) and encodes the amino acid sequence represented herein by SEC I D NO: 3. Based on the results obtained in the mass spectroscopy experiment described in Example 7, a second protein product is present after the expression of a recombinant molecule comprising a PCR product of this example. These data suggest that two PCR products were produced from the method herein. The second PCR product was predicted as being 513 base pairs (hereinafter referred to as sFc? Rl la (b) and encodes the amino acid sequence represented here by SEQ ID NO: 12. The PCR products were digested with the restriction endonucleases, EcoRI and Xbal, and ligated into unique EcoRI and Xbal sites of the promiscuous baculovirus plasmid pBL1392 (available from Pharmingen, San Diego, CA) to produce recombinant molecules referred to herein as pVL-sFc? Rlla (a) and pVL-sFc? Rlla (b). The recombinant molecules pVL-sFc? Rl la (a) and pVL-sFc? Rl la (b) were co-transfected with the baculovirus strain AcMNPV (available from Pharmingen) in Spodoptera frugiperda 21 (Sf-21) cells (available from Invitrogen Corp., San Diego, CA) to produce S. frugiperda cells: pVL-sFc? Rl la (a) and pVL-sFc? Rl la (b). The putative recombinant virus isolates were selected by classifying them into X-galactosidase plates for b-galactosidase occlusion. Selected isolates were developed on monolayers of Sf-21 cells for infection using the serum-free S900-II medium (available from Gibco, New Yo? K) and the supernatant harvested at about 40 hours after the invention. The presence of the recombinant protein, referred to herein as PsFc? Rlla, in the supernatants was determined through ELISA using monoclonal anti-Fc? RI I 8.26 and 8.7 antibodies (described in detail by lerino, and others, ibid.), Using standard methods. Based on the results described in Example 7, the recombinant protein PsFc? Rlla includes the two protein species having SEC I D NO: 3 and SEQ ID NO: 12.

Example 2 This example describes the purification of PsFc? Rlla for the crystallization of the protein. The supernatant of S. frugiperda cells: pVL-sFc? Rl (a) / sFc? Rl la (b), described above in Example 1, was harvested and then centrifuged at approximately X2000 rpm to remove the cell waste. The supernatant from the centrifugation was concentrated to approximately 5 times using a Minitan3 ultrafiltration system (available from Millipore, Bedford, MA) and then extensively dialyzed against a pH buffer containing 10 mM Tris-HCl pH 8.5, and 50 mM NaCl. The dialyzed solution was applied to a fast-flow Q-Sepharose fast-flow ion exchange column (available from Pharmacia, Jppsala, Sweden). The column was washed with 10 mM Tris-HCl, pH 8.5, and then the protein was eluted from the column using a salt grater from about 0 to about 500 mM NaCl, passed over the column for 4 hours. PsFc? Rlla was eluted from the column at approximately 150 mM NaCl. The partially purified product was dialyzed against a pH regulator containing 20 mM Tris-HCl pH 7.4, and 30 mM NaCl. The dialyzed product was applied to a HAGG immunoaffinity chromatography column (described in detail by lerino, and others, ibid.). The column was washed with a pH regulator containing 20 mM Tris-HCl pH 7.4, and 30 mM NaCl. The PsFc? Rlla was eluted from the column using a pH regulator containing 0.1 M sodium acetate, pH 4, and 0.5 M NaCl. The eluent was neutralized using 3m Tris pH 8.0, and dialyzed against PBS (3.5 mM NaH2PO42H2Ó, 16 mM Na2H PO4, 150 mM NaCl). The dialysate was then concentrated to approximately 50 times using macro ultrafiltration and nanosep-10 concentration devices (available from Filtron, Northborough, MA) and applied to a G75 Superdex gel filtration column equilibrated in PBS (available from Pharmacia, Uppsala , Sweden). The filtered PsFc? Rl was dialyzed against 1 mM Tris-HCl pH 7.4 and concentrated to approximately 6 milligrams per milliliter (mg / ml) of the protein using macro ultrafiltration and nanosep-10 concentration devices. The purity of PsFc? Rl was analyzed by resolving the concentrated protein through SDS-PAGE and the protein was stained with crocein scarlet. An electronic scan of the resulting gel is shown in Figure 1, where lane A contains the supernatant harvested from a cell culture S. frt / gr / 'perc.a: pv'L-sFc? Rlla (a) / sFc? Rlla (b) before the ion exchange step, lane B contains the protein eluted from the affinity column, lane c contains the protein isolated from the gel filtration chromatography step and lane D contains a sample of PsFc? Rlla concentrated at 6 mg / ml and used for additional crystallization studies. The molecular weight markers are shown on the left side of the figure. The results indicate that purified PsFc? Rlla was approximately 90% pure with apparent molecular weights of 25,000 daltons.

Example 3 This example describes a pH gel electrophoresis analysis without two-dimensional equilibrium of purified PsFc? Rlla. The supernatant of S. r "rt / sr / perda: pVL-sFc? Rl the (a) / sFc? Rlla (b) was incubated with approximately 20 microliters (ml) of packed Sepharose 4B beads conjugated with F (ab) fragments. ') of the anti-Fc? Rl monoclonal antibody 8.26 (IgG2b) (the production of which is described in J. Immunol., Vol 150, pp. 1-10, 1993) for 1 hour at 4 ° C. then washed with pH buffer containing 10 mM Tris-HCl pH 7.4, 2% w / v of bovine serum albumin (available from Commonwealth Serum Laboratories, Melbourne, Australia), 1 mM PMSF (available from Sigma Chemical Co. , St. Louis, MO), 0.1% volume / volume of Aprotinin (available from Sigma Chemical Co.), and then with 10 mM Tris-HCl, pH [7.4.The beads were resuspended in approximately 50 ml of regulator. denaturing pH of isoelectric focusing (9.5 M urea), 4% acrylamide, 2% w / v of N P-40, 2% of total anpholines and 50 mM of dithiothreitol), were rotated at approximately x13,000 rpm for approximately 2 minutes, loaded into tube gels. 4% and were covered with approximately 10 ml of overlapping pH regulator (9 M urea, 1% total anpholines) and anode pH regulator (0.01 M phosphoric acid) and electroforearop for about 5 hours to about 550 volts. Afterwards, the gels were removed from the glass tubes, equilibrated in SDS-PAGE sample buffer (62.5 mM Tris-HCl, pH 6.8, 50 mM dithiothreitol and 10% glycerol) for approximately 2 hours at room temperature. environment and bound on the top of the 13% slice gel for SDS-PAGE. The electrophoresed proteins were transferred to the Immobilon-P PVDF membrane (available from Millipore) using a semi-dry transfer cell (Biorad, Australia) under a current of 20 mA for approximately 30 minutes. The membrane was blocked in pH buffer of PBS containing 5% w / v of skimmed milk for about 1 hour. The membrane was then incubated overnight with a polyclonal rabbit anti-FcγRI antibody (diluted 1: 10,000 in PBS containing 5% w / v of skimmed milk) and then extensively washed with a pH regulator (10 mM Tris). -HCl, pH 8.0, 150 mM NaCl, 0.05% Tween-20). The polyclonal antiserum was increased in rabbits through immunization with the recombinant FcγRI protein. The animals were immunized with approximately 1 mg of the Fc? RI I protein. For the first immunization, the Fc? RII protein was emulsified in complete Freunds auxiliary. Subsequent immunizations were performed using Fc? RI I protein emulsified in incomplete Freunds auxiliary. The membrane was then incubated with peroxidase-linked pig anti-rabbit eintiser (available from Dako Corp., Denmark), (diluted 1: 5000 in 10 mM Tris-HCl, pH 8.0, 150 mM NaCl and 0.05% Tween- 20) for about 1 hour at room temperature. The membrane was washed before detection of the transferred protein using the improved chemolumin iscence system (available from Amersham International, Australia). An electronic scan of the resulting gels is shown in Figures 2A and 2B. Figure 2A illustrates the migration of isolated protein from the supernatant harvested from S. t¿.o7perc.a: pVL-SFc? Rl cultures to the (a) / sFc? RNa (b) after 34 hours. Figure 2B illustrates the migration of protein isolated from the swarming envelope harvested from S. frugipe cell cultures rda.pM -SFc? Rl la (a) / sFc? Rlla (b) after 73 hours. The molecular weight markers are shown on the left side of the figure. The results indicate that the purified PsFc? Rlla has an apparent molecular weight of 25,000 daltons and a pl at approximately a pH of 6.

Example 4 This example describes the N-terminal peptide sequence of PsFc? Rl la. The amino acid sequencing of PsFc? Rl the purified one described in Example 2 using the standard sequential Edman degradation method using an Applied Biosystem 470A gas phase sequencer coupled to an Applied Biosystem 130 separation system for automatic on-line analysis of the first 8 amino acids (available from Applied Biosystems, CA). The N-terminal sequence was determined to be Ala-Pro-Pro-Lys Ala-Val-Leu-Lys (denoted as SEC I D NO: 4).

Example 5 This example describes the binding of PsFc? Rl to monomeric immunoglobulin. Analysis of the interaction between PsFcΔR1a and monomeric immunoglobulin was performed using a BIAcore8 2000 biosensor (available from Pharmacia Biotech, Uppsala, Sweden, at approximately 22 ° in pH-regulated saline with Hepes (HBS, 10 mM Hepes) [ N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid, available from Commonwealth Serum Laboratories, Rarkville, Australia], pH 7.4, 150 mM NaCl, 3.4 mM EDTA and 0.005% surfactant, available from Pharmacia). About 4000 to 6000 response units (RU) of the subclasses of monomeric human immunoglobulin IgG1, IgG2, IgG3, and IgE (50 μg / ml each), were covalently coupled to separate the carboxymethylated dextran surface from each of CM5 sensor wafers (available from BIAcore, Uppsala, Sweden) using an amine coupling kit (available from BIAcore), according to the manufacturer's methods. A series of concentrations of PsFc? Rlla (about 0.001 to about 1 mg / ml protein) was injected onto each surface of the sensor wafer for about 1 minute at about 20 μl / minute followed by a dissociation phase of 3 minutes. After administration of the protein, the immunoglobulin surface was regenerated on each wafer using a pH regulator containing 50 mM diethylamine, pH 1.5, and 1 M NaCl. The equilibrium dissociation constants (KD) for the interaction between PsFc? Rl and immunoglobulin, were obtained through non-linear curve fitting of a single-site binding equation [United RU = (B1 max.C) / (KD? + C)]; or a two-site binding equation [United RU = (B1 max.C) / (KD1 + C)) + ((B1 max.C) / (KD2 + C)), (B1 max refers to the maximum bonding capacity of the surface at site 1; B2max refers to the maximum bonding capacity of the surface at site 2; C refers to the concentration of PsFc? Rl la) and through linear curve fitting in graphs Scatchard. The data points obtained from the IgE channels were subtracted to correct refractive index differences. The data points between 50 and 60 seconds were averaged to obtain the amount of PsFc? Rlla bound in equilibrium for concentration of PsFc? Rl la. To determine the specificity of the interaction between PsFc? Rlla and immobilized immunoglobulin, the interaction between PsFc? Rl and monomeric immunoglobulin was inhibited by the presence of a monomeric excess of IgG (Sandaglobulin, available from Sandoz, Basel), Switzerland). Using a maximum, fixed mean dose of PsFc? Rl la (50 μg / ml), increasing concentrations of monomeric IgG (0 to 2 mg / ml IgG) were mixed with PsFc? Rl la, at approximately 22 ° C for approximately 1 hour before passing the PsFc? Rl on a sensor wafer surface coated with lgG 1. The results indicated that the binding of PsFc? Rl to IgG3 and IgG1 could be saturated over a wide range of protein concentrations. The units of maximum response per protein concentration were plotted against the molar concentration of protein and curve fixation analyzes were performed. The curve of the best fixation suggests that there are two regions of PsFc? Rl that interact with IgG3. In 50% of the sites, the affinity for IgG3 was approximately 2.7 × 106M "1 and for the remaining 50% of the sites the affinity was approximately 1.2 × 104M" 1 (Fig. 3A). The interaction between PsFc? Rlla and lgG1 also occurred in two regions, but the interaction was different from lgG3. Furthermore, in approximately 90% of the ligand binding sites, the affinity of PsFc? RI for lgG1 was approximately 2.1 x 106M | 1 and for the remaining 10% of the sites, the affinity was approximately 2.3.times.10 M. "1 Fig. 3B.) The interaction was specific for PsFc? Rlla, since a six-fold molar excess of IgG completely inhibited the binding of PsFc? Rl to IgG.The analysis of the binding of IgG2 was also performed and a Kd value of approximately 8 x 10"5M * 1 was obtained (Figure 3C).

Example 6 This example describes the crystallization and X-ray diffraction of PsFc? Rl la. A. Production of crystalline PsFc? RI I. A series of alternative pH regulators was used to try to produce crystals of PsFc? Rl through diffusion of vapor from hanging droplets. Table 6 summarizes the different formulations of mother liquor used, and the results obtained.

Table 6 Mother liquor conditions and results of the crystallization test with 3 mg / ml of PsFc? Rlla to. The final concentration of the precipitated product was used to achieve the listed result. b. Condition 9 produced two crystals in the individual drop. c. Condition 16 produced a multitude of fragments that arose from numerous nucleation points within drop d. Condition 25 produced unusual glass. Numerous crystalline plates seemed to join together to form this crystal. The X-ray diffraction analysis of this crystal was not successful.

A rapid classification method (generally described by McPherson, 1982, In: Preparation and Analysis of Protein Crvstals. 1982, p. 94-97, John Wiley and Sons, Pub .; and J. Crystal Growth, vol. 122, p. 161-167, 1992) was used. In resurgence, hanging drop vapor diffusion experiments were performed using 24 cavity culture plates. Drops (approximately 3 μl) containing about 3 mg / ml of PsFc? Rlla in an equal volume of a mother liquor were suspended from inverted silicone coverslips in 24-well tissue culture plates. The drops were equilibrated at about 22 ° C against about 1 ml of mother liquor. The temperature controlled incubation was carried out in chambers (available from Linbro Inc., distributed by ICN Inc., Costa Mesa CA) at approximately 22 ° C. The successful crystallization of PsFc? Rl was carried out using the mother liquor, 0.2 M of ammonium acetate, 0.1 M of citrate, pH 5.6 and 30% of PEG 4000, at 22 ° C for about 3 to about 9 days, or until 9 months depending on the purity and concentration of PsFc? Rlla, resulting in the production of orthorhombic crystals. The successful crystallization of PsFc? Rlla using the mother liquor, 0.1 M H EPES pH 7.5 with 1.5 M lithium sulfate, at 22 ° C for about 3 to about 9 days, or up to 9 months depending on the purity and concentration of PsFc? Rl la, resulting in the production of a series of bar-like fragments of defined structure. Bar-type fragments were analyzed through X-ray diffraction.

B. X-ray diffraction of PsFc? Rl the crystalline and determination of the electron density map. The PsFc? Rlla crystals produced as described in section A above were mounted in rayon loops and cryo-cooled at -165 ° in a mother liquor containing 20% glycerol. We tested 12 heavy atom compounds, which sampled a wide scale of activities, for binding to PsFc? Rlla. It was found that PI P (Di-μ-iodine bisphenylenediamine] di Platinum (I I) was reactive, the crystals were derivatized by soaking overnight in mother liquor containing approximately 5 mm of PIP. Measurement diffractions were performed with an M18XH F rotation anode generator (Siemens, Germany) operating at approximately 40 KV and approximately 50 mA and using Cuk? filtered with Ni. The generator was equipped with Franks mirrors (Molecular Structure Corporation, USA), a low temperature system (Molecular Structure Corporation, USA) and RAXIS IIC and IV image plate detectors (Rigaku, Japan). The crystals belong to the space group P2 Í 2 Í 2 (a = 78.80 Á, b = 100.55 Á, c = 27.85 Á) and had a diffraction at a resolution of approximately 2.4 Á with an R (emergence) of 0.065. R (emergence) = S (I¡- (IS)) / I added all the independent reflections where I = intensity. Native and derived data were collected at 45 minute exposures with an oscillation scale of approximately 1 °. The diffraction intensities were integrated using DENZO (Otwinowski, et al., Methods in Enzymology, vol. 276, p. 307, 1996) and were scaled with SCALEPACK (Otwinowski, et al., Ibid.). An individual heavy atom binding site was located through inspection of Patterson maps of isomorphic and anomalous difference (Blundell, et al., In: Protein Crystallography .. Horecker, B., Kaplan, N. O., Marjmur, J ., Scheraga, H. A., Eds. , Academic Press, New York, 1976) calculated with the PROTEIN system (Stelgeman, Ph. D. Thesis, Technical University, Munich, 1984). The heavy atom parameters were refined and the phases were determined in an Individual Isomorphic Replacement method with anomalous scanning using the SHARP Statistical Heavy-Atom Refinement and Phasing program (de la Fortelle, et al., Methods in Enzymology, vol. 276, p. 472, 1996). The data emerged in the scale from approximately 18 to approximately 2.7 Á as resolution had an isomorphic R factor of approximately 0.162, a merit figure for centric reflections of 0.308 and acentric reflections of 0.247 and a phase energy of 1.127 for centric reflections and 1 .081 for acentric reflections (Blundell, ibid.). The phases were modified in a solvent flattening protocol (Wang, Methods in Enzymology, vol.1 15, page 90, 1985) and histogram information (Zhang, et al., Acta Crystallography, vol. A46, p. 377, 1990) in the DM density modification package (Cowtan, Joint CCP4 and ESF-EACEM Newsletter on Protein Crystallography, vol.31, page 34, 1994) in the CCP4 portion of programs (Cowtan, ibid.). 2Fo-Fc electron maps were presented using the graphical presentation program O (Jones et al., Acta Crystallography, vol.A47, page 1 10, 1991). Secondary structural aspects could be identified at this stage, however, the map was difficult to completely interpret and track the polypeptide. To produce a simplified representation of electron density, the map was formed as a skeleton structure (Greer, J. Mol. Biol., Vol. 82, page 279, 1974) using the BON ES program (Jones et al., Ibid. .). Coordinates of Killer Inhibitory receptor (Fan, et al., Nature, vol 389, page 96, 1997), and were used as a reference to trace the polypeptide and generate a partial model. To calculate the subsequent maps, modified density phases and calculated phases of the model were combined through the Free-Sim method (Sim, Acta Crystallography, vol.13, page 51 1, 1960). Additional data for structure refinement were collected on the X4A beam line from National Synchrotron Light Source at Brookhaven National Laboratory (Upton, New York). The use of radiation with a wavelength of approximately 1.058 A was used to collect data from Fuji image plates as exposures of approximately 100 seconds and oxidation scales of approximately 1 o. The diffraction images were scanned with a BAS 2000 scanner (Fuji, Japan) and processed as described above, giving an R (extra) of 0.038 for data with a resolution of between approximately 10 Á and approximately 1.7 μA. A structure refinement was performed with the XPLOR system (Brunger, et al., Science, vol 235, page 458, 1987) using protocols including the individual temperature factor, aspect of minimizing energy and refining heating to cooling Simulated slow cooling with bulk solvent correction. The refined structure of PsFc? Rl contains all the amino acid residues from one to 170, together with 33 solvent molecules. The crystallographic residual factor R and the free R factor are approximately 0.253 and approximately 0.326 respectively, for the data with a resolution of approximately 7 A to approximately 2.0 A (Brunger, 1987, ibid,). The square-root deviations of the mean of the squares of the instantaneous values of the ideal aspect for bond lengths were from about 0.01 A to about 1.45 A for angles (Brunger, et al., Nature, vol 355, p 472, 1992). The data set resulting from atomic coordinates for PsFc? Rlla is shown in Figure 4.

C. Structure of PsFc? Rlla. Using the atomic coordinates listed in Table 1, a structure of a dimer of PsFc? Rlla was derived. The structures were generated by computer using the MOLSCRIPT 2.0 program (available from Avatar Software AB, Heleneborgsgatan 21C, SE-11731 Stockholm, Sweden). The crystal structure reveals PsFc? Rlla in a dimeric form having two monomers of 170 amino acids. The two monomers are structurally identical. The structure of residues 1 to 170 of PsFc? Rlla consists of two immunoglobulin immunoglobulin immunoglobulin type 2 (C2) domains, and each domain is composed of two antiparallel sheets b, in loops together through a bond of disulfide. The first structure of each domain (structure A) is broken in half with one part forming sheet I (structures ABE) and another part forming sheet II (structures a'GFCC '). This structural aspect occurs in immunoglobulin variable region type domains (V) and in the natural annihilation inhibitory receptor (KI R) but not in other C2 domains. The two immunoglobulin domains of PsFc? Rlla are absolutely similar to each other with the difference of RMS at the Ca positions of 1.28 Á for 68 residues. The main differences are found in the loops at j the N-terminal end of the molecule (loops BC, CE and FG) and in the position on the C chain structure. Some of these loops have been implicated in the binding of Fc. The region of association of the two domains in the structure PsFc? Rl is inclined with the angle between the major axes of the domains being approximately 52 °. This flexion is more severe than in other members of the immunoglobulin superfamily including 60 ° for KIR. The abutting surface of the domain is composed of structures A 'from domain 1 and A and B of domain 2, where sheet I I for each domain forms the adjoining surface. The residues whose atoms that are not hydrogen lie within 4 Á of the other domain. Water molecules 201, 21 1, 217-220, 227 and 232 also lie in the region of abutting surface. Certain structural characteristics indicate that the formation of dimer between two molecules PsFc? Rl la in the crystal is a preferred iteration. Although the structure of only one molecule PsFc? Rlla (residues 1 to 170) of the crystal has been determined, each molecule PsFc? Rlla comprising the dimer in the crystal, is related to another molecule PsFc? Rl la in the crystal through a crystallographic axis of two folds. Applying the transformation: (- 1 0 0) (X) (0.) (0 - 1 0). (y) + (100.55) (0 0 1) (z) (0.) at the coordinates given in Table 1, a dimer is formed (Figure 4), with the adjacent surface composed of sheet II from each molecule PsFc? Rl la. The coordinates of the dimer PsFc? Rl are represented in Table 2. The contact area is substantial (-400 Á2) and this abutting surface has a more hydrophobic character than the adjoining surface of domain 1 - domain 2. The residues whose atoms that are not hydrogen lie within 4 A of the other molecule or the water molecule 207 on the axis are 1 19, 121, 124-126, 150, 152 and 158-161, with residues 148, 163 and 164 also making a close approach. This type of domain interaction is not novel for immunoglobulins, since the V regions of antibodies are matched in ur to a similar way. This type of interaction, however, has been observed for C2 domains. Due to the size and character of this contact it is suggested that this interaction not seen until now has physiological importance. Additional structural considerations support this conclusion. The crystal structure described above! suggests that, if a molecule of Fc? Rlla is oriented with the term C towards that one side. In this way, the formation of a diameter between two Fc? Rl molecules in a cell membrane, the two potential regions of Fc junction approach each other and point from the cell, since the dimer axis points from the cell. to. This orientation places the potential Fc binding sites ideally for interaction for the ligand (i.e., IgG), allows the ligand binding site to be composed of regions of two receptor molecules. The involvement of two receptor molecules in a binding event has implications for cell signal transduction, since the dimerization of the extracellular domains could lead to the cytoplasmic domains of the two receptors together to initiate a cell signal transduction response. Figure 4 shows a graphic representation of the dimer of PFc? Rl la. Two domains of type Ig (domains 1 and 2) are shown in each monomer of each dimer. The first amino acid residue of the amino terminus (N H2) of the protein is indicated by the number of residue 0. The last amino acid residue of the carboxyl term (COOH) of the protein is indicated by residue 170. The numbering of the residues of amino acid from the term N H2 to the term H is shown as possible. Certain residues were omitted for clarity. Figure 5 illustrates the amino acid residues comprising each beta sheet of domain 1 and domain 2 of PFc? Rl la. In domain 1, structure A includes waste 5-10, structure A 'includes waste 14-17, structure B includes waste 20-28, structure C includes waste 37-41, structure C includes waste 44-46, structure E includes waste 52-58, structure F includes waste 63-70 and structure G includes waste 78-8 ^ - In domain 2, structure A includes waste 87 -92, structure A 'includes waste 95-97, structure B includes waste 102-1 10, structure C includes waste 1 17-122, structure C includes waste 125-131, structure E includes waste 134-139, structure F includes waste 146-155, structure G includes waste 158-162 and structure G 'includes waste 163-169. Figure 6 shows the stereo view of the polypeptide structure shown in Figure 4 in stereo configuration. A graphic representation of the three-dimensional structure shown in Figure 4 was used to determine the location of the amino acid residues involved in the binding of Fc? Rlla to IgG. Figure 7 shows the location of the mutated alanine residues (indicated by the black balls) involved in the loss of the binding of Fc? Rlla to IgG. The residues shown in Figure 7 were identified using recombinant Fc? Rl la mutants, where the residues were replaced with alanine and found to interrupt or reduce the binding of IgG to Fc? Rlla (described by Hulett, et al., 1994 , ibid., Hulett, et al., 1995, ibid.). Figure 8 shows an expanded view of the IgG binding region showing the position and side chains of the amino acids involved in the binding of IgG to Fc? Rlla, as shown through the production of nucleic acid molecules that carry mutations in this region that encode an Fc? Rl protein having a reduced binding to IgG. Figure 9 shows an expanded view of the IgG binding region and the amino acid residues, which when mutated to alanine, improve the binding of IgG. The abutting surface between the two dimers illustrated in the graphic representation of the three-dimensional structure shown in Figure 4 was further analyzed. Figure 10 shows an expanded view of the region of an FcγR monomer contributing to the adjoining surface of the dimer. In Figure 10, the region has been rotated approximately 90 ° in x, where x is horizontal to the page. The carbon? of the amino acid residues contributing to the adjoining surface are shown as black balls and are listed according to the residue listing of SEC I D NO: 3.

Example 7 This example describes in analysis the N-terminal sequence of the protein PsFc? Rl la through electrospray ionization mass spectroscopy. To determine the N-terminal amino acid sequence of the PsFcγRI protein, the heterogeneity of the N-linked glycosylation mass spectrometry was performed as follows. Several samples were prepared by combining about 1 to about 100 picomolar (pmol) of the PsFc? Rlla protein at about 2 μl / min to about 4 μl / min of 50% CH3CN, with 0.1% acetic acid. Samples were infused at a flow rate of approximately 0.2 μl / min to a Perkin Elmer Sciex API-300 triple-pole 4-pole mass spectrometer, equipped with a microion spray ion source and operated in a Q 1 scan mode. The mass scale was calibrated at 8 points on the mass scale of 3000 u, for an accuracy equivalent of 0.01%, using individually charged polypropylene glycol ions. The mass spectra (typically 30-100 scans) were recorded on the mass round m / z200 and at 3000 u with a constant peak width of 0.6 u (peak width at medium height), and processed through manual mass determination Average signal and transformation using the E-Sciex Biomultiview software. The results indicated that two major protein species having different N-terminal sequences were present in the purified PsFc? Rl protein solution. One spice had an N-terminal sequence comprising SEQ ID NO: 4 and the other species had an N-terminal sequence with one Ala added at the 5 'end of the protein (eg Ala-Ala-Pro-).

Example 8 This example describes the modeling of the three-dimensional structure of the I Fce receptor (FeeRI) in both monomeric and dimeric forms.

The extracellular regions of the human type Fc epsilon receptor Fc (FceRI) and the human gamma receptor Fc type I I Fc? Rl la) show a sequence identity of approximately 38% (for 172 residues). The final sequence alignment used in this modeling work is shown in Figure 13. The X-ray crystallographic structure of human FcγRlla was determined through the present inventors (Table 1). The three-dimensional coordinates of Fc? Rl la in Table 1 differ from those used as the template to develop a three-dimensional model of FceRI through orientation of the imidazole ring of His 108 and one round of refining. A prediction of secondary structure performed in FceRI confirmed the validity of the alignment given in Figure 3 and showed the pattern of ß structures that is the same in both FceRI and Fc? Rlla. The methods of secondary structure prediction used were PHD (B. Rost et al, CABIOS, vol 10, 266-275 (1994)) and PREDATOR (Frishman D. and P. Argos, Proteins, vol 27, 329-335 (1997)). MODELER (A. Sali and TL Blundell, J. Mol. Biol., Vol 234, 779-815 (1993)) as implemented in the lnsightl l_Homology software package (Insight II (97.01), MSI, San Diego) used to use three-dimensional FceRI models using a number of different initial sequence alignments and two structural templates of Fc? Rl la. One of the structural templates was the three-dimensional coordinate of Fc? Rl la where, for the residuals that had alternative side chain conformations (residue numbers 10, 21, 33, 57, 60, 61, 65, and 89), the conformations marked with "A" were selected, while in the other template the conformations marked "B" were selected. In each Modeler operation, 5 structural models of FceRI were generated. The following parameter or option values were used: "program_collection" of 1, "max_var_iterations" of 300, "md_level" of "refining 1", "repetition_optimization" of 3, and "max_molpdf of 1 e6.The best model of these operations had the sequence alignment given in figure 13, and used the structural template of Fc? Rlla, where residues 10, 21, 33, 57, 60, 61, 65, and 89 had side chains in conformation "A" The criteria for judging the "best" model included the lowest value of the objective function of Modeler (or -1, Ox1 n (molecular probability density function = Mpdf)), PROSAI I "of good behavior" (M. Sippl, Proteins, vol.17, 355-362 (1993)) graph of waste energy (for example, negative residue energy classifications through the sequence), and the local 3D-1 D compatibility profiling chart PROFILES -3D (JU Bowie et al., Science, vol 253, 164-170 (1991)) "of good behavior" , (for example, positive classifications of graph through the sequence). Then, Modeler was used to generate 20 different structural models of FceFI using the sequence alignment and template previously selected, and using the values and parameter options listed above. The model with the value of -In (Mpdf) (that is, 957.2) was then erased as the template to generate structural models of the sequence FceRI in the next cycle of Modeler operations. At the end of four cycles, the "best" three-dimensional model of the FceRI structure had a value of -In (Mpdf) of 643.2. These were selected as the final structural model of the FceRI monomer, and the Cartesian coordinates of corresponding heavy atom (which are not hydrogen) are depicted in Table 3. A "worm" representation of the structure is shown in Figure 14. This structure was validated with the PROSAII, PROFI LES-3D programs, and PROCH ECK (R. M- Laskowski et al., J. Appl. Cryst. Vol. 26, 283-291 (1993)). Finally, the same coordinate transformation that generates a dimer from the Fc? Rlla monomer was applied to the previous model of the FceRI monomer. The surrounding surface of the resulting dimer was optimized by selecting alternative rotamers for residues Glu 161 and Tyr 150 with the Auto_Rotamer option of the Insightl I module. Homology (MSI, San Diego), and then adding hydrogen atoms to the dimer model and the energy reducing it keeping all the heavy atoms fixed, except for Tyr 150 and Glu 161, where only the base structure atoms remained fixed. The Discover v. Program 2.98 (MSI, San Diego) was used for the minimization of energy with the CFF91 force field and a distance dependent dielectric constant of 1.0 xr, and minimization was performed with the conjugate gradient method until the maximum energy gradient was less than 0.10 kcal / Á. The Cartesian coordinates of the resulting model of the FceRI dimer are represented in Table 4 and a "worm" representation of the dimer model is shown in Figure 15. This model of the FceRI dimer has a complementarity of form or value Sc (see, MC Lawrence and PM Colman, J. Mol. Biol., Vol 234, 946-950 (1993)) on the monomer-monomer adjoining surface of 0.64 and an electrostatic complementarity value, for the fully solvated case, using the coefficient of Spearman correlation, (see A. J McCoy, VC Epa, and PM Colman, J. Mol. Biol., vol 268, 570-584 (1997)) or ECSFS on the monomer-monomer adjoining surface of 0.08. These are compared with 0.80 and 0.32, respectively, for the Fc? Rl la dimer. These reduced the complementarity values for the FceRI dimer compared to the Fc? Rl dimer which indicates that the formation of the FceRI dimer, as developed herein, is energetically less favored than in the case of Fc? Rlla. However, it can be seen that the interaction with the ß or? of FceRI has not been taken into account. Figure 16 shows a molecular surface representation of the FceRI dimer model. The model of the three-dimensional structure of the FceR monomer! represented by the coordinates of Table 3 or the FceRI dimer represented by the coordinates of Table 4, can be used as a basis for the drug design in the same way as that described for the crystallographic coordinates of Fc? Rlla herein.

Example 9 The following example demonstrates the crystallization of the receptor of Fce I (FceRI). pFceRI, of recombinant molecule, containing a nucleic acid molecule encoding a soluble form of FceRI (SFceRI) operably linked to baculovirus polyhedron transcription control sequences was produced as described for the pFc? Rl molecule in Examples 1 -3. Briefly, recombinant soluble FceRI was generated by placing a translation termination codon at position 173, which normally encodes a Pro in the present as pVL-sFceRI. The recombinant pVli-sFceRI molecule, subsequently co-transfected with the baculovirus strain AcMNPV (available from Pharmingen) in Sppdoptera frugiperda 21 (Sf-21) cells (available from Invitrogen Corp., San Diego, CA) to produce S. frug / perda VL-sFceRI cells. 65-70 hours after infection, the supernatants were harvested and the soluble receptor was purified through affinity chromatography on an affinity column of antibody-sepharose 4B monoclonal anti-FceRI antibody (3B4) similar to the described processes for Fc? Rlla in Example 5. The column was washed with 10 mM Tris pH 7.5 and eluted with 0.1 M sodium acetate, 0.5 M sodium chloride, pH 4.0. The purified protein was concentrated and used in crystallization analysis as described above for Fc? Rl la (Example 6). Crystals were produced under various conditions as follows: (a) 0.2M calcium acetate; 0.1 M sodium cacodylate, pH 6.5; 18% w / v polyethylene glycol (PEG) 8000; (b) 0.1 M sodium cacodylate, pH 6.0 p pH 5.5; 10% v / v of 2-propanol; 20% w / v of PEG 4000; (c) 0.2M trisodium citrate dihydrate; 0.1 M sodium cacodylate pH 6.5; 30% v / v of 2-propanol. The structure of the FceRI crystals obtained through these experiments can be used in X-ray diffraction analysis and / or in molecular replacement and modeling strategies as described herein.

Example 10 This example describes the modeling of the three-dimensional structure of the Fc receptor? l ll (Fc? Rl l lb) in monomeric form.

The extracellular regions of the human type Fc receptor type I I (Fc? Rlllb) and the human type II Fc receptor (Fc? Rlla) show a sequence identity of approximately 53% (for 174 residues). The final sequence alignment used in this modeling work is shown in Figure 18. The X-ray crystallographic structure of human FcγRlla was determined through the present inventors (Table 1) as described in Examples 1 -7. The three-dimensional coordinates of Fc? Rl la in Table 1 differ from those used as the template to develop a three-dimensional model of human Fc? Rl l lb through the orientation of the imidazole ring of His 108 and one round of refining. MODELER (A, Salí and TL Blundell, J. Mol. Biol., Vol 234, 779-815 (1993)), as implemented in the lnsightl l_Homology software package (Insight II (97.0), MSI, San Diego) , was used to generate three-dimensional models of Fc? Rll lb using a number of different initial sequence alignments and two structural templates of Fc? Rl la. The structural template that was used was the three-dimensional coordinates of Fc? Rl la where, for the residuals that had alternative side chain conformations (residue numbers 10, 21, 33, 57, 60, 61, 65, and 89), the conformations marked with "A" were selected. I = n each Modeler operation, 5 structural models of Fc? Rl llb were used. The following values or parameter options were used: "program_collection" of 1, "max_var_iterations" of 300, "md_level" of "refining 1", "repetition_optimization * of 3, and "max_molpdf" of 1 e6. The best model of these operations had the sequence alignment given in Figure 18, and used the structural template of Fc? Rl la, where residues 10, 21, 33, 57, 60, 61, 65, and 89 had side chains in the "A" conformation. The criteria for judging the "best" model included the lowest value of the objective function of Modeler (or -1 .0x1 n (molecular probability density function = Mpdf)), graph of waste energy PROSAI I (M. Sippl , Proteins, vol.17, 355-362 (1993)) "of good behavior" (for example, negative residue energy classifications through the sequence), and local 3D-1 D compatibility classification chart PROFILE " of good behavior "(J U. Bowie et al., Science, vol 253, 164-170 (1991)), (for example, positive graph classifications through the sequence). Then, Modeler was used to generate 20 different structural models of Fc? Rl l lb using the sequence and template alignment selected above, and using the parameter values and options listed above. The model with the lowest value -ln (Mpdf) (ie, 933.3) was then selected as the final structural model of the monomer Fc? Rl llb, and the Cartesian coordinates of the corresponding heavy atom (which are not hydrogen) are represented in Table 5. This structure was validated with the PROSAI I, PROFIES-3D, and PROCH ECK programs (RM Laskowski et al., J. Appl. Cryst.Vol, 26, 283-291 (1993)).

The model of the three-dimensional structure of the monomer Fc? Rlllb represented by the coordinates of Table 5 can be used as a basis for the drug design in the same way as that described for the crystallographic coordinates of Fc? Rlla here. Although several embodiments of the present invention have been described in detail, it is evident that modifications and adaptations to these modalities will occur to those skilled in the art. It should be expressly understood, however, that such modifications and adaptations are within the scope of the present invention, as set forth in the following claims.

LISIA DS S-EUJ-MCIAS < 110 > Hogarth, P. Mark Powell, Maree S. McKenzie, Ian F.C. Maxwell, Kelly F. Garrett, Thomas P.J. Epa, Vidana < 120 > THREE-DIMENSIONAL ESTRDCTDRAS AND RECEIVER MODELS Fc Y sos bears < 130 > 4102-4-pct < 140 > Not Yet Assigned < 141 > 1999-02-04 < 150 > 60 / 099,994 < 151 > 1998-09-11 < 150 > 60 / 073,972 < 151 > 1998-02-06 < 160 > 15 < 170 > Paten In Ver. 2.0 < 210 > 1 < 211 > 30 < 212 > DNA < 213 > Artificial Sequence < 220 > < 223 > Description of Artificial Sequence: INITIATOR < 400 > 1 tacgaattcc tatggagacc caaatgtctc 30 < 210 > 2 < 211 > 30 < 212 > DNA < 213 > Artificial Sequence < 220 > < 223 > Description of Artificial Sequence: INITIATOR < 400 > 2 cattctagac tattggacag tgatggtcac 30 < 210 > 3 < 211 > 171 < 212 > PRT < 213 > Hoo sapiens < 400 > 3 Wing Pro Pro Lyß Wing Val Leu Lys Leu Glu Pro Pro Trp He Asn Val 1 5 10 15 Leu Gln Glu Asp Ser Val Thr Leu Thr Cys Gln Gly Ala Arg Ser Pro 20 25 30 Glu Ser Asp Ser He Gln Trp Phe His Asn Gly Asn Leu He Pro Thr 35 40 45 His Thr Gln Pro Ser Tyr Arg Phe Lys Wing Asn Asn Asn Asp Ser Gly 50 55 60 Glu Tyr Thr Cys Gln Thr Gly Gln Thr Ser Leu Ser Asp Pro Val His 65 70 75 80 Leu Thr Val Leu Phe Glu Trp Leu Val Leu ßln Thr Pro His Leu Glu 85 90 95 Phe Gln Glu Gly Glu Thr He Met Leu Arg Cys His Ser Trp Lys Asp 100 105 110 Lys Pro Leu Val Lys Val Thr Phe Phe Gln Asn Gly Lys Ser Gln Lys 115 120 125 Phe Ser His Leu Asp Pro Thr Phe Ser He Pro Gln Wing Asn His Ser 130 135 140 His Ser Gly Asp Tyr His Cys Thr Gly Asn He Gly Tyr Thr Leu Phe 145 150 155 160 Be Ser Lys Pro Val Thr He Thr Val Gln Val 165 170 < 210 > 4 < 211 > 8 < 212 > PRT < 213 > Homo sapiens < 400 > 4 Wing Pro Pro Lys Wing Val Leu Lys < 210 > 5 < 211 > 170 < 212 > PRT < 213 > Homo sapiens < 400 > 5 Wing Pro Pro Lys Wing Val Leu Lys Leu Glu Pro Gln Trp He Asn Val i. 5 10 15 Leu Gln Glu Asp Ser Val Thr Leu Thr Cys Arg Gly Thr His Ser Pro 20 25 30 Glu Ser Asp Ser He Gln Trp Phe His Asn Gly Asn Leu He Pro Thr 35 40 45 His Thr Gln Pro Ser Tyr Arg Phe Lys Wing Asn Asn Asn Asp Ser Gly 50 55 60 Glu Tyr Thr Cys Gln Thr Gly Gln Thr Ser Leu Ser Asp Pro Val His 65 70 75 80 Leu Thr Val Leu Ser ßlu Trp Leu Val Leu Gln Thr Pro His Leu Glu 85 90 95 Phe Gln Glu Gly Glu Thr He Val Leu Arg Cys His Ser Trp Lys Asp 100 105 110 Lys Pro Leu Val Lys Val Thr Phe Phe Gln Asn ßly Lys Ser Lys Lys 115 120 125 Phe Ser Arg Ser He Pro Asn Phe Ser He Pro Gln Wing Asn His Ser 130 135 140 His Ser Gly Asp Tyr His Cys Thr Gly Asn He Gly Tyr Thr Leu Tyr 145 150 155 160 Be Ser Lys Pro Val Thr He Thr Val Gln 165 170 < 210 > 6 < 211 > 170 < 212 > PRT < 213 > Homo sapiens < 400 > 6 Wing Pro Pro Lys Wing Val Leu Lys Leu Glu Pro Gln Trp He Asn Val 1 5 10 15 Leu Gln ßl Asp Ser Val Thr Leu Thr Cys Arg ßly Thr His Ser Pro 20 25 30 ßlu Ser Asp Ser He ßln Trp Phe His Asn Gly Asn Leu He Pro Thr 35 40 45 His Thr Gln Pro Ser Tyr Arg Phe Lys Wing Asn Asn Asn Asp Ser Gly 50 55 60 Glu Tyr Thr Cys Gln Thr ßly ßln Thr Ser Leu Ser Asp Pro Val His 65 70 75 80 Leu Thr Val Leu Ser Glu Trp Leu Val Leu Gln Thr Pro His Leu < ? lu 85 90 95 Phe Gln ßlu ßly Glu Thr He Val Leu Arg Cys His Ser Trp Lys Asp 100 105 110 Lys Pro Leu Val Lys Val Thr Phe Phe Gln Asn ßly Lys Ser Lys Lys 115 120 125 Phe Ser Arg Ser Asp Pro Asn Phe Ser He Pro Gln Wing Asn His Ser 130 135 140 His Ser Gly Asp Tyr His Cys Thr Gly Asn He Gly Tyr Thr Leu Tyr 145 150 155 160 Be Ser Lys Pro Val Thr He Thr Val Gln 165 170 < 210 > 7 < 211 > 261 < 212 > PRT < 13 > Homo sapiens < 400 > 7 Thr Thr Lys Wing Val He Thr Leu Gln Pro Pro Trp Val Ser Val ¿.he 1 5 - 10 15 Gln Glu Glu Thr Val Thr Leu His Cys Glu Val Leu His Leu Pro Gly 20 25 30 Being Ser Thr ßln Trp Phe Val Asn Gly Thr Ala Thr ßln Thr Ser Leu Val Tyr Asn Val Leu Tyr Tyr Arg Asn ßly Lys Phe Lyß Phe Phe 115 120 125 His Trp Asn Ser Asn Leu Thr He Leu Lys Thr Asn He Ser His Asn 130 135 140 Gly Thr Tyr His Cys Ser Gly Met Gly Lys His Arg Tyr Thr Ser Wing 145 150 155 160 Gly He Ser Val Thr Val Lys Glu Leu Phe Pro Ala Pro Val Leu Asn 165 170 175 Wing Ser Val Thr Ser Pro Leu Leu Glu Gly Asn Leu Val Thr Leu Ser 180 185 190 Cys Glu Thr Lys Leu Leu Lys Gln Arg Pro Gly Leu Gln Leu Tyr Phe 195 200 205 Be Phe Tyr Met Gly Ser Lys Thr Leu Arg Gly Arg Asn Thr Ser Ser 210 215 220 Glu Tyr Gln He Leu Thr Wing Arg Arg Glu Asp Ser Gly Leu Tyr Trp 225 230 235 240 Cys Glu Ala Ala Thr Glu Asp Gly Asn Val Leu Lys Arg Ser Pro ßlu 245 250 255 Leu Glu Leu Gln Val 260 < 210 > 8 < 211 > 174 < 212 > PRT < 213 > Homo sapiens < 400 > 8 Arg Thr ßlu Asp Leu Pro Lys Wing Val Val Phe Leu ßlu Pro ßln Trp 1 5 10 15 Tyr Ser Val Leu ßlu Lys Asp Ser Val Thr Leu Lys Cyß Gln ßly Wing 20 25 30 Tyr Ser Pro ßlu Asp Asn Ser Thr ßln Trp Phe His Asn ßlu Ser Leu 35 40 45 He Ser Ser ßln Ala Ser Ser Tyr Phe He Asp Ala Ala Thr Val Asn 50 55 60 Asp Ser Gly Glu Tyr Arg Cys Gln Thr Asn Leu Ser Thr Leu Ser Asp 65 70 75 80 Pro Val ßln Leu ßlu Val His He Gly Trp Leu Leu Leu Gln Ala Pro 85 90 95 Arg Trp Val Phe Lys Glu ßlu Asp Pro He His Leu Arg Cys His Ser 100 105 110 Trp Lys Asn Thr Ala Leu His Lyß Val Thr Tyr Leu ßln Asn Gly Lys 115 120 125 < 212 > PRT < 213 > Homo sapiens < 400 > 9 Val Pro Gln Lys Pro Lys Val Ser Leu Asn Pro Pro Trp Asn Arg He 1 5 10 15 Phe Lys Gly Glu Asn Val Thr Leu fhr Cys Asn Gly Asn Asn Phe Phe 20 25 30 Glu Val Ser Ser Thr Lys Trp Phe His Asn ßly Ser Ser Leu Ser ßlu ßlu 35 40 45 Thr Asn Ser Ser Leu Asn He Val Asn Ala Lys Phe Glu Asp Ser Gly 50 55 60 Glu Tyr Lys Cys Gln His ßln Gln Val Asn Glu Ser Glu Pro Val Tyr 65 70 75 80 Leμ Glu val Phe Ser Asp Trp Leu Leu Leu Gln Ala Ser Ala ßlu Val 85 90 95 Val Met Glu Gly Gln Pro Leu Phe Leu Arg Cys His Gly Trp Arg Asn 100 105 110 Trp Asp Val Tyr Lys Val He Tyr Tyr Lys Asp ßly and Glu Ala Leu Lys 115 120 125 Tyr Trp Tyr Glu Asn Hiß Asn He Ser lie Thr Asn Wing Thr Val ßlu 130 135 140 Asp Ser Gly Thr Tyr Tyr Cys Thr Gly Lys Val Trp Gln Leu Asp Tyr 145 150 155 160 Glu Ser Glu Pro Leu Asn He Thr Val He Lys Wing 16S 170 < 210 > 10 < 211 > 170 < 212 > PRT < 213 > Homo sapiens < 400 > 10 Wing Pro Pro Lys Wing Val Leu Lys Leu Glu Pro Pro Trp He Asn Val 1 5 10 15 Leu Gln Glu Asp Ser Val Thr Leu Thr Cys Gln Gly Wing Arg Ser Pro 20 25 30 Glu Ser Asp Ser He ßln Trp Phe His Asn ßly Asn Leu He Pro Thr 35 * 40 45 His Thr Gln Pro Ser Tyr Arg Phe Lys Ala? sn Asn Asn Asp Ser Gly 50 55 60 Glu Tyr Thr Cys Gln Thr ßly ßln Thr Ser Leu Ser Asp Pro Val His 65 70 75 80 Leu Thr Val Leu Ser Glu Trp Leu Val Leu ßln Thr Pro His Leu Glu 85 90 95 Phe Gln Glu Gly Glu Thr He Met Leu Arg Cys His Ser Trp Lys Asp 100 105 110 Lys Pro Leu Val Lys val Thr Phe Phe Gln Asn ßly Lys Ser Gln Lys 115 120 125 Phe Ser Arg Leu Asp Pro Thr Phe Ser He Pro Gn Ala Asn His Ser 130 135 140 His Thr Gln Pro Ser Tyr Arg Phe Lys Ala? Sn Asn Asn Asp Ser Gly 50 55 60 Glu Tyr Thr Cys Gln Thr ßly ßln Thr be Leu Ser Asp Pro Val His 65 70 75 80 Leu Thr Val Leu Phe ßlu Trp Leu Val Leu ßln Thr Pro His Leu ßlu 85 90 95 Phe Gln ßlu ßly Glu Thr He Met Leu Arg Cys His Ser Trp Lys Asp 100 I05 110 Lys Pro Leu Val Lys Val Thr Phe Phe ßln Asn ßly Lys Ser ßln Lys 115 120 125 Be Ser Lys Pro Val Thr He Thr Val ßln. 165 170 < 210 > 12 < 211 > 170 < 212 > PRT < 213 > Homo sapiens < 400 > 12 Wing Pro Pro Lys Wing Val Leu Lys Leu ßlu Pro Pro Trp He Asn Val 1 5 10 15 Leu Gln Glu Asp Ser Val Thr Leu Thr Cys Trp Gly Wing Arg Ser Pro 20 25 30 Glu Ser Asp Ser He Gln Trp Phe His Asn Gly Asn Leu He Pro Thr 35 40 45 His Thr Gln Pro Ser Tyr Arg Phe Lys Wing Asn Asn Asn Asp Ser ßly 50 55 60 ßlu Tyr Thr Cys ßln Thr ßly ßln Thr Ser Leu Ser Asp Pro Val His 65 70 75 80 Leu Thr Val Leu Phe ßlu Trp Leu Val Leu Gln Thr Pro His Leu Glu 85 90 95 Phe Gln Glu Gly Glu Thr He Met Leu Arg Cys His Ser Trp Lys Asp 100 105 110 Lys Pro Leu Val Lys Val Thr Phe Phe Gln Asn Gly Lys Ser Gln Lys 115 120 125 Phe Ser Arg Leu Asp Pro Thr Phe Ser He Pro ßln Wing Asn His Ser 130 135 140 His Ser ßly Asp Tyr His Cys Thr ély Asn He Gly Tyr Thr Leu Phe 145 150 155 160 Ser Ser Lys Pro Val Thr He Thr Val Gln 165 170 < 210 > 13 < 211 > 287 < 212 > PRT < 213 > Homo sapiens < 4J0 > 13 Met Asp Pro Lys Gln Thr Thr Leu Leu Cys Leu Val Leu Cys Leu Gly 1 5 10 15 Gln Arg He Gln Wing ßln Glu Gly Asp Phe Pro Met Pro Phe He Ser 20 25 30 Wing Lys Ser Ser Pro Val He Pro Leu Asp Gly Ser Val Lys He Gln 35 40 45 Cys Gln Wing He Arg Glu Wing Tyr Leu Thr Gln Leu Met He He Lys 50 55 60 Asn Ser Thr Tyr Arg ßlu He Gly Arg Arg Leu Lys Phe Trp Asn Glu 65 70 75 80 Thr Asp Pro Glu Phe Val He Asp His Met Asp Ala Asn Lys Ala ßly 85 90 95 Arg Tyr Gln Cys Gln Tyr Arg He ßly His Tyr Arg Phe Arg Tyr Ser 100 IOS 110 Asp Thr Leu Glu Leu Val Val Thr Gly Leu Tyr Gly Lys Pro Phe Leu 115 120 125 Ser Wing Asp Arg Gly Leu Val Leu Met Pro ßly ßlu Asn He Ser Leu 130 135 140 Thr Cys Ser Ser Ala His He Pro Phe Asp Arg Phe Ser Leu Ala Lys 145 150 155 160 Glu ßly ßlu Leu Ser Leu Pro Gln His Gln Ser ßly ßlu His Pro Ala 165 • 170 175 Asn Phe Ser Leu ßly Pro Val Asp Leu Asn Val Ser ßly He He Tyr Arg 180 185 190 Cys Tyr ßly Trp Tyr Asn Arg Ser Pro Tyr Leu Trp Ser Phe Pro Ser 195 200 205 Cys Gln Pro ßly Leu Thr Phe Ala Arg Thr Pro Ser Val Cys Lys 275 280 285 < 210 > 14 < 211 > 171 < 212 > PRT < 213 > Homo sapiens < 400 > 14 Ala Ala Pro Pro Lys Ala Val Leu Lys Leu ßlu Pro Pro Trp He Asn 1 5 10 15 Val Leu ßln ßlu Asp Ser Val Thr Leu Thr Cye Gln ßly Ala Arg Ser 20 25 30 Pro ßlu Ser Asp Ser He Gln Trp Phe His Asn ßly Asn Leu He Pro 35 40 45 Thr His Thr ßln Pro Ser Tyr Arg Phe Lys Ala Asn Asn Asn Asp Ser 50 55 60 ßly Glu Tyr Thr Cys Gln Thr ßly ßln Thr Ser Leu Ser Asp Pro Val 65 70 75 80 His Leu Thr Val Leu Ser Glu Trp Leu Val Leu Gln Thr Pro His Leu 85 90 95 Glu Phe Gln ßlu ßly ßlu Thr He Met Leu Arg Cys His Ser Trp Lys 100 105 lio Asp Lys Pro Leu Val Lys Val Thr Phe Phe Gln Asn Gly Lys Ser Gln 115 120 * 125 < 2J.0 > 15 < 211 > 171 < 212 > PRT < 213 > Homo sapiens < 400 > 15 Ala Ala Pro Pro Lys Ala Val Leu Lys Leu ßlu Pro Pro Trp He Asn 1 5 10 15 Val Leu ßln ßlu Asp Ser Val Thr Leu Thr Cys Cln ßly Ala Arg Ser 20 25 30 Pro Glu Ser Asp Ser He ßln Trp Phe His Asn Gly Asn Leu He Pro 35 40 45 Thr His Thr Gln Pro Ser Tyr Arg Phe Lys Ala Asn Asn Asn er 50 55 60 Gly ßlu Tyr Thr Cys ßln Thr Gly Gln Thr Ser Leu Ser Asp Pro Val 65 70 75 80 His Leu Thr Val Leu Phe Glu Trp Leu Val Leu Gln Thr Pro His Leu 85 90 95 Glu Phe Gln Glu Gly Glu Thr He Met Leu Arg Cys His Ser Trp Lys 100 105 110 Asp Lys Pro Leu Val Lys Val Thr Phe Phe Gln Asn Gly Lys Ser Gln 115 120 125 Lys Phe Ser His Leu Asp Pro Thr Phe Ser He Pro Gln Ala Asn His 130 135 140 Ser His Ser Gly Asp Tyr His Cys Thr sly Asn He Gly Tyr Thr Leu 145 150 155 160 Phe Ser Ser Lys Pro val Thr He Thr val Gln 165 170

Claims (1)

1. CLAIMS 1 .- A model of an Fc receptor protein (FcR) where said model represents a three-dimensional structure that substantially conforms to the atomic coordinates of the Table 1 2. The model according to claim 1, wherein said structure substantially conforms to the atomic coordinates and B values represented in Table 1. 3. The model according to claim 1, wherein said structure is monomeric. 4. The model according to claim 1, wherein said structure is dimeric. 5. The model according to claim 1, wherein said structure is substantially conformed to the atomic coordinates of a table selected from the group consisting of Table 2, Table 3, Table 4 and Table 5. 6.- The model of according to claim 1, wherein at least about 50% of the structure has a square root devon from the mean of the squares of the instantaneous values (R SD) less than about 1.5 A for the structure atoms of base in elements of secondary structure in each domain of the structure. 7. The model according to claim 1, wherein at least about 50% of amino acid side chains common between the structure and a structure comprising said atomic coordinates have an average devon of the square root of the average of the squares of instantaneous values (RMSD) less than about 1.5 A. 8. The model according to claim 1, wherein said FcR protein comprises an amino acid sequence that is at least about 25% identical to an amino acid sequence selected from the group consisting of SEC ID NO: 3, SEQ ID NO: 10, SEQ ID NO: 11 and SEQ ID NO: 12. 9. The model according to claim 1, wherein said FcR protein comprises an amino acid sequence that is at least about 40% identical to an amino acid sequence selected from the group consisting of SEQ ID NO: 3, SEQ ID NO: 10, SEQ ID NO: 11 and SEQ ID NO: 12. 10. The model according to claim 1, wherein said FcR protein comprises an amino acid sequence that is at least about 60% identical to an amino acid sequence selected from the group consisting of SEQ ID NO: 3, SEQ ID NO. NO: 10, SEQ ID NO: 11 and SEQ ID NO: 12. 11. The model according to claim 1, wherein said FcR protein comprises an amino acid sequence selected from the group consisting of SEQ ID NO: 3, SEQ ID NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEQ ID NO: 12, SEQ ID NO: 13, a mijitant of any of these amino acid sequences, and a allelic variant of any of said amino acid sequences. 12. The model according to claim 1, wherein said FcR protein comprises an amino acid sequence selected from the group consisting of: an amino acid sequence selected from the group consisting of SEC D NO: 3, SEQ ID NO: 5 , SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEQ ID NO: 12, SEQ ID NO: 13, mutant of SEQ ID NO: 3, SEQ ID NO: 5, SEQ ID NO: 6 SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEQ ID NO: 12 or SEQ ID NO: 13 and an allelic variant of SEQ ID NO: 3, SEQ ID NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEC ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEQ ID NO: 12 or SEQ ID NO: 13. 13. A model according to claim 1, wherein said FcR protein is selected from the group consisting of the Fc? RI protein, Fc? Rlla protein, Fc? Rllb protein, Fc? Rllc protein, Fc? RIII protein, FceRI protein, FcaRI protein and structural homologs of any of said FcR proteins. 14. The model according to claim 1, wherein said FcR protein is selected from the group consisting of the Fc? RI protein, Fc? Rlla protein, Fc? Rllb protein, Fc? Rllc protein., Fc? RIII protein, FceRI protein, FcaRI protein. 15 - The model according to claim 1, wherein said FcR protein is selected from the group consisting of a Fc? Rlla protein monomer, an Fc? Rlla protein dimer and structural homologs of said Fc? Rlla proteins. 16. The model according to claim 1, wherein said FcR protein is selected from the group consisting of a FceRI protein dimer, a monomer of the FceRI protein and structural homologs of said FceRI proteins. 17. The model according to claim 1, wherein said FcR protein is selected from the group consisting of an Fc? RI protein dimer, a monomer of the Fc? RI protein and structural homologs of said Fc? RI proteins. 18. The model according to claim 1, wherein said FcR protein is selected from the group consisting of a dimer of Fc? Rllb protein, a monomer of the protein ^ c? Rllb and structural homologs of the Fc? Rl proteins. lb. 19. The model according to claim 1, wherein said FcR protein is selected from the group consisting of an Fc? Rllc protein dimer, a monomer of the Fc? Rl lc protein and structural homologs of said Fc? Rllc proteins. . 20. The model according to claim 1, wherein said FcR protein is selected from the group consisting of an Fc? Rlllb protein dimer, a monomer of the Fc? Rl llb protein and structural homologs of said Fc? Rl proteins. l lb. 21. The model according to claim 1, wherein said FcR protein is selected from the group consisting of a FcaRI protein dimer, a monomer of the FcaRI protein and structural homologs of said FcaRI proteins. 22. - The model according to claim 1, wherein said atomic coordinates are generated through the method comprising: (a) providing an Fc? Rl protein in crystalline form; (b) generating an electron density map of said crystalline Fc? Rlla protein; and (c) analyzing the electron density map to produce said atomic coordinates. 23. The model according to claim 22, wherein said crystalline Fc? Rl protein is produced through a method comprising: combining the Fc? Rlla protein with a pH regulator of mother liquor selected from the group consisting of of an acetate salt pH regulator and a sulfate pH regulator, and inducing crystal formation to produce the Fc? Rl protein crystalliria. 24 - The model according to claim 23, wherein the acetate pH regulator comprises about 200 mM of ammonium acetate, about 100 mM of sodium citrate and about 30% of PEG 4000, said pH regulator having a pH value of approximately 5.6. 25. The model according to claim 23, wherein the sulfate pH regulator comprises approximately p.1 M of HEPES and about 1.5 M lithium sulfate, said pH regulator having a pH value of about 7.5. 26.- The model according to claim 22, wherein the step of generating an electron density map comprises analyzing the Fc? Rla crystal protein through X-ray diffraction. 27.- The model according to the claim 22, wherein the protein Fc? Rl the crystalline is derivatized in nitrate of di -? - iodine bis (ethylene diamine) di-Platinum (II) before said X-ray diffraction. 28.- The model according to the claim 22, where the Fc? Rl protein the crystalline is derivatized in approximately 5 mM of di-? - iodine bis (ethylenediamine) di Platinum (II) nitrate before X-ray diffraction. 29.- The model according to claim 1, wherein said model is a computer image generated by a computer-readable medium encoded with a group of three-dimensional coordinates of said three-dimensional structure, wherein, when using a software program of graphic presentation, said three-dimensional coordinates They create an electronic file that can be viewed on a computer capable of representing that electronic file as a three-dimensional image. 30.- A computer-assisted method of a drug design based on the structure of bioactive compounds, comprising: a. provide a model of an Fc receptor protein (FcR), wherein said model represents a three-dimensional structure that substantially conforms to the atomic coordinates of Table 1; b. design a chemical compound using the model; and c. chemically synthesize the chemical compound. The method according to claim 30, wherein said method further comprises: d. evaluate the bioactivity of said synthesized chemical compound. 32. The method according to claim 30, n wherein said three-dimensional structure comprises the atomic coordinates listed in Table 1. 33. The method according to claim 30, wherein the three-dimensional structure is dimeric. 34.- The method according to claim 30, wherein the three-dimensional structure comprises the atomic coordinates listed in a table selected from the group consisting of Table 2, Table 3, Table 4 and Table 5. 35.- The method of agreement with claim 30, wherein said model comprises a computer image generated when the atomic coordinates listed in Table 1 are analyzed in a computer using a graphical presentation software program to create an electronic file of said image and visualize the electronic file in a computer capable of representing the electronic file as a three-dimensional image. 36.- The method according to claim 30, wherein the step of designing comprises computationally classifying one or more databases of chemical compounds in which the three-dimensional structure of said compounds is known. 37. The method according to claim 36, further comprising interacting a compound identified by the classification step with said model through a computer. 38.- The method according to claim 30, wherein the step of designing comprises the direct drug design. 39.- The method according to claim 30, wherein the step of designing comprises the random drug design. 40. The method according to claim 30, wherein the step of designing comprises a grid-based drug design. 41. The method according to claim 30, wherein the design step comprises selecting compounds, which are predicted to mimic the three-dimensional structure of said FcR protein. 42. The method according to claim 30, wherein the design step comprises selecting compounds that are predicted to bind to said three-dimensional structure of the FcR protein. 43.- The method according to claim 30, wherein the bioactivity is selected from the group consisting of inhibiting the binding of said FcR protein to an immunoglobulin protein, binding to said FcR protein, binding to an immunoglobulin, which is capable of binding to said FcR protein, inhibiting phagocytosis of said immunoglobulin protein, inhibiting the dimerization of the FcR protein, stimulating cell signal transduction through said FcR protein, and estimating the release of cytokines through the FcR protein. 44. The method according to claim 30, wherein said FcR protein is Fc? Rlla and the bioactivity is selected from the group consisting of inhibiting the binding of the Fc? Rl protein to IgG, inhibiting phagocytosis to IgG, inhibiting dimerization of the Fc? Rlla protein, stimulate cell signal transduction through an Fc? Rl la protein, stimulate the release of cytosine selected from the group consisting of I L-6 and IL-12. 45.- The method according to claim 30, wherein said FcR protein is Fc? Rlllb and the bioactivity is selected from the group consisting of inhibiting the binding of the Fc? RII protein to IgG, inhibiting phagocytosis to IgG, inhibiting the dimerization of the Fc protein ? Rlb, stimulate cell signal transduction through an Fc? Rlllb protein, stimulate the release of cytosine selected from the group consisting of I L-6 and I L-12. 46. The method according to claim 30, wherein the FcR protein is FceRI and the bioactivity is selected from the group consisting of inhibiting the binding of the FceRI protein to IgE, inhibiting phagocytosis to IgE, inhibiting the dimerization of the FceRi protein. , stimulate the cellular signal transduction through a FceRI protein, stimulate the release of histamine and serotonin through mast cells and inhibit the release of histamine and sero tonin through mast cells. 47. - A computer aided method of drug design based on the structure of bioactive compounds, comprising: a. provide a model of an Fc receptor protein (FcR), wherein said model represents a three-dimensional structure that substantially conforms to the selected atomic coordinates of the group consisting of atomic coordinates represented by Table 1; atomic coordinates represented by Table 2; atomic coordinates represented by Table 3; atomic coordinates represented by Table 4; and atomic coordinates represented by Table 5; b. design a chemical compound using said model; and c. chemically synthesize said chemical compound. 48.- A computer aided method of drug design based on the structure of bioactive compounds, which comprises: a. provide a model of a three-dimensional structure of an Fc receptor protein (FcR) selected from the group consisting of Fc? Rl la, Fc? R l l lb and FceRI; b. design a chemical compound using said model; and c. chemically synthesize said chemical compound] 49.- A three-dimensional computer image of the three-dimensional structure of an FcR protein. 50 - The image according to claim 49, wherein said structure substantially conforms to the three-dimensional coordinates selected from the group consisting of the three-dimensional coordinates listed in Table 1; the three-dimensional coordinates listed in Table 2; the three-dimensional coordinates listed in Table 3; the three-dimensional coordinates listed in Table 4; and the three-dimensional coordinates listed in Table 5. 51.- The image according to claim 49, wherein said computer image is generated when a group of three-dimensional coordinates comprising the three-dimensional coordinates, are analyzed in a computer using a program of graphic representation software to create an electronic file of said image and visualize the electronic file in a computer capable of representing the electronic file as a three-dimensional image. 52.- The image according to claim 49, wherein the three-dimensional computer image is represented by a two-dimensional image selected from the group consisting of the Figure 4, Figure 6, Figure 7, Figure 8, Figure 9, Figure 10, Figure 14, Figure 15 and Figure 16. 53.- The image according to claim 49, wherein the three-dimensional computer image is used for design a therapeutic compound. 54.- A computer-readable medium encoded with a group of three-dimensional coordinates of an FcR protein having a three-dimensional structure that substantially conforms to the atomic coordinates of Table 1, where, using a software program of graphic presentation, said three-dimensional coordinates create an electronic file that can be viewed on a computer capable of representing the electronic file as a three-dimensional image. 55.- A computer-readable medium encoded with a group of three-dimensional coordinates selected from the group consisting of the three-dimensional coordinates represented in Table 1, the three-dimensional coordinates represented in Table 2, the three-dimensional coordinates represented in Table 3, three-dimensional coordinates represented in Table 4, and the three-dimensional coordinates represented in Table 5, where, when using a software program of graphic presentation, said three-dimensional coordinates create an electronic file that can be visualized on a computer capable of representing the file electronic as a three-dimensional image. 56.- A model of the three-dimensional structure of an FcR protein selected from the group consisting of Fc? RI protein, protein Fc? Rllb, Fc? Rl lc protein, Fc? Rll lb protein, FceRI protein and FcaRI protein, said model being produced through the method comprising: (a) providing an amino acid sequence of an Fc? Rlla protein and a amino acid sequence of said FcR protein; (b) identifying structurally conserved regions shared between the amino acid sequence Fc? Rl la and the amino acid sequence of the FcR protein; and (c) determining the atomic coordinates for FcR protein by assigning said structurally conserved regions of the FcR protein to a three-dimensional structure using a three-dimensional structure of said Fc? Rl la protein, which substantially conforms to the atomic coordinates represented in Table 1 , to derive a model of said three-dimensional structure of the amino acid sequence FcR. 57.- The model according to claim 56, wherein the amino acid sequence of the Fc? RI protein comprises SEC I D NO: 7; wherein the amino acid sequence of the Fc? Rllb protein comprises SEQ ID NO: 5; wherein the amino acid sequence of the Fc? Rllc protein comprises SEQ ID NO: 6; wherein said amino acid sequence of the Fc? Rlllb protein comprises SEQ ID NO: 8; wherein said amino acid sequence of FceRI protein comprises SEQ ID NO: 9; and wherein said amino acid sequence of FcaRI protein comprises SEQ ID NO: 13. 58.- A therapeutic composition that, when administered to an animal, reduces tissue damage by IgG, the therapeutic composition comprising an inhibitory compound that inhibits activity of an Fc receptor protein? (Fc? R), said inhibitory compound being identified by the method comprising: (a) proportionally a three-dimensional structure of an Fc? R protein selected from the group consisting of Fc? RI, Fc? Rlla, Fc? Rl lb, Fc ? Rl lc and Fc? Rl llb, where the three-dimensional structure of the Fc? R protein substantially conforms to the atomic coordinates represented in Table 1; (b) using said three-dimensional structure of the Fc? R protein to design a chemical compound selected from the group consisting of a compound that inhibits the binding of the Fc? R protein IgG, a compound that substantially mimics the three-dimensional structure of the protein FcγR and a compound that inhibits the binding of the FcγR protein with a molecule that stimulates cell signal transduction through an FcγR protein; (c) chemically synthesizing the chemical compound; and (d) evaluate the ability of the synthesized chemical compound to reduce tissue damage mediated by IgG. 59.- The composition according to claim 58, wherein the tissue damage mediated by IgG results from a biological response selected from the group consisting of IgG-mediated hypersensitivity, inflammatory cell recruitment mediated by IgG, and release of inflammatory modulators mediated by IgG. 60.- The composition according to claim 58, wherein the structure substantially conforms to the atomic coordinates represented in Table 1. 61.- The composition according to claim 58, wherein the chemical compound is selected from the group consisting of an inorganic compound and an organic compound. 62.- The composition according to claim 58, wherein the chemical compound is selected from the group consisting of oligonucleotides, peptides, peptide mimetic compounds and small organic molecules. 63.- The composition according to claim 58, wherein the chemical compound is selected from the group consisting of an analogue of said Fc? R protein, a substrate analog of said Fc? R protein and protein mimetic peptide compound. Fc? R. 64.- The composition according to claim 58, wherein the composition further comprises a component selected from the group consisting of an excipient, an auxiliary, and a vehicle or carrier. 65.- A therapeutic composition that, when administered to an animal, improves the responses mediated by IgG, the therapeutic composition comprising a stimulating compound that stimulates the activity of an Fc receptor protein? (Fc? R), said stimulating compound being identified by the method comprising (a) providing a three-dimensional structure of an Fc? R protein selected from the group consisting of Fc? RI, Fc? Rlla, Fc? Rllb, Fc? Rllc and Fc? Rlllb, where the three-dimensional structure of the Fc? R protein substantially conforms to the atomic coordinates represented in Table 1; (b) using said three-dimensional structure of the Fc? R protein to design a chemical compound selected from the group consisting of a compound that stimulates the binding of the Fc? R protein to IgG, a compound that substantially mimics the three-dimensional structure of the protein Fc? R and a compound that stimulates the binding of the Fc? R protein with a compound that stimulates the binding of the Fc? R protein with a molecule that stimulates the cellular signal transduction through an Fc? R protein; (c) chemically synthesizing the chemical compound; and (d) evaluate the ability of the synthesized chemical compound to improve IgG mediated responses. 66.- A therapeutic composition, when administered to an animal, reduces the IgE-mediated responses, said therapeutic composition comprising an inhibitory compound that inhibits the activity of an Fce protein of receptor I (FceRI), said inhibitor compound being identified by the method comprising: (a) providing a three-dimensional structure of a FceRI protein, wherein said three-dimensional structure of the FceRI protein substantially conforms to the selected atomic coordinates of the group consisting of the atomic coordinates represented by Table 1, the atomic coordinates represented by Table 2, the atomic coordinates represented by Table 3, the atomic coordinates represented by Table 4, and the atomic coordinates represented by Table 5; (b) structural the three-dimensional structure of the FceRI protein to design a chemical compound selected from the group consisting of a compound that inhibits the binding of the FceR I protein to IgE, a compound that substantially mimics the three-dimensional structure of the protein FceRI and a compound that inhibits the binding of the FceRI protein with a molecule that stimulates cell signal transduction through a FceR protein (c) chemically synthesizing the chemical compound; and (d) evaluating the ability of said synthesized chemical compound to reduce Ig-mediated responses. 67. The composition according to claim 66, wherein the IgE-mediated response results from a biological response selected from the group consisting of of IgE-mediated hypersensitivity, inflammatory cell recruitment measured by IgE, and anti-inflammatory modulator IgE-mediated release. The composition according to claim 66, wherein the structure comprises the coordinates shown in Table 3. 69.- The composition according to claim 66, wherein the structure comprises the atomic coordinates represented in Table 4. The composition according to claim 66, wherein the chemical compound is selected from the group consisting of of an organic compound and an inorganic compound. 71. The composition according to claim 66, wherein the chemical compound is selected from the group consisting of oligonucleotides, peptides, peptide mimetic compounds and small organic molecules. 72. The composition according to claim 66, wherein the chemical compound is selected from the group consisting of an analogue of the FceR protein, a substrate analogue of said Fce RI protein and a peptide mimetic compound of said protein. ina FceRI. The composition according to claim 66, wherein the composition further comprises a component selected from the group consisting of an excipient, an auxiliary and a vehicle or carrier. 74.- The therapeutic composition that, when administered to an animal, improves the responses mediated by IgE, the therapeutic composition comprising a stimulating compound that stimulates the activity of a receptor protein Fce I (FceRI), said stimulating compound being identified by the method comprising: (a) providing a three-dimensional structure for a FceRI protein, wherein the three-dimensional structure of the FceRI protein substantially conforms to the selected atomic coordinates of the group consisting of the coordinates Atoms represented by Table 1, the atomic coordinates represented by Table 2, the atomic coordinates represented by Table 3, the atomic coordinates represented by Table 4, and the atomic coordinates represented by Table 5; (b) using the three-dimensional structure of the Fce RI protein to design a chemical compound selected from the group consisting of a compound that stimulates the binding of the Fce RI protein to IgE, a compound that substantially mimics the three-dimensional structure of the FceR protein I and a compound that stimulates the binding of the FceRI protein with a molecule that stimulates cell signal transduction through a FceRI protein; (c) synthesize chemically the chemical compound; and (d) evaluate the ability of the synthesized chemical compound to improve IgE mediated responses. 75.- A method for determining a three-dimensional structure of an FcR protein, the method comprises: (a) providing an amino acid sequence of an FcR protein selected from the group consisting of the Fc? RI protein, Fc? Rlb protein, Fc? Rl lc protein, Fc? Rl llb protein, FceRI protein, and FcaRI protein, where the three-dimensional structure of said FcR protein is not known; (b) analyzing the fold pattern of the amino acid sequence in a three-dimensional conformation through bending or bending recognition; and (c) comparing the flexion pattern of the amino acid sequence of the FcR protein with the three-dimensional structure of the Fc? Rl la protein to determine the three-dimensional structure of said FcR protein, wherein the three-dimensional structure of the Fc? Rl protein. it substantially conforms to the atomic coordinates represented in Table 1. 76 -. 76 - A method for deriving a model of the three-dimensional structure of an FcR structure, the method comprises the steps of: (a) providing an amino acid sequence of an Fc? Rlla protein and an amino acid sequence of a protein FcR; (b) identifying structurally conserved regions, shared between the amino acid sequence Fc? Rlla and the amino acid sequence FcR; (c) determining the atomic coordinates for the target structure by assigning said structurally conserved regions of the FcR protein to a three-dimensional structure using a three-dimensional structure of an Fc? Rl protein based on the atomic coordinates substantially conforming to the atomic coordinates represented in Table 1 to derive a model of the three-dimensional structure of the amino acid sequence of the FcR protein. The method according to claim 76, further comprising assigning the atomic coordinates for side chains of the FcR protein by determining sterically permissible positions using a rotamer condition. 78.- A method for deriving a three-dimensional structure of a crystallized FcR protein, the method comprises the steps of: (a) comparing the Patterson function of a crystallized FcR protein with the Patterson function of the Fc? Rl protein crystallized to producing an electron density map of said crystallized FcR protein; and (b) analyzing the electron density map to produce the three-dimensional structure of the crystallized FcR protein. 79. The method according to claim 78, further comprising the step of electronically simulating the three-dimensional structure of the crystallized FcR protein to derive a computer image of the three-dimensional structure of the crystallized FcR protein. 80. The method according to claim 78, further comprising the step of rotating the Patterson function of the crystallized FcR protein in the Patterson function of said Fc? Rl protein to determine the correct orientation of the protein. FcR crystallized in a crystal of the crystallized FcR protein to identify the initial phases of the crystallized FcR protein. 81 .- A composition comprising the Fc? Rl protein in a crystalline form. 82.- A computer to produce a three-dimensional model of a molecule or molecular structure, where the molecule or molecular structure comprises a three-dimensional structure defined by atomic coordinates of an FcR protein, according to a table selected from the group consisting of Table 1, Table 2, Table 3, Table 4 and Table 5, or a three-dimensional model of a homologue of the molecule or molecular structure, where the homologue comprises a three-dimensional structure that has an average deviation of the square root of the median of the squares of the instantaneous values (RMSD) less than about 1.5 A for the atoms of the base structure in the elements of secondary structure in each domain of the FcR protein, where the computer comprises: (a) a medium computer-readable coded by the atomic coordinates of an FcR protein, according to a table selected from the group consisting of Table 1, Table or 2, Table 3, Table 4 and Table 5, to create an electronic file; (b) a working memory for storing a graphic representation software program to process the electronic file; (c) a processor coupled to the working memory and the computer-readable medium, which is capable of representing the electronic file as the three-dimensional model; and (d) a representation coupled to the processor to visualize the three-dimensional model. 83.- The computer according to claim 82, wherein the molecule or molecular structure is dimeric. 84.- The computer according to claim 82, wherein at least about 50% of the three-dimensional structure of said homologue has a projjective deviation of the square root of the mean of the squares of the instantaneous values (RMSD) less than about 1.5 A for the atoms of the base structure in the secondary structure elements in each domain of the FcR protein. 85.- The computer according to claim 82, wherein at least about 50% of the amino acid side chains common between the three-dimensional structure of the homologue and a three-dimensional structure defined by the atomic coordinates of an FcR protein, have an average deviation of the square root of the average of the squares of the instantaneous values (RMSD) less than about 1 .5 Á 86. The computer according to claim 82, wherein the FcR protein comprises an amino acid sequence selected from the group consisting of: SEQ ID NO: 3, SEC D NO: 5, SEQ ID NO: 6, SEQ ID NO: 7, SEQ ID NO: 8, SEQ ID NO: 9, SEQ ID NO: 10, SEQ ID NO: 11, SEQ ID NO: 12, SEQ ID NO: 13. 87.- The computer according to claim 82, wherein said FcR protein is selected from the group consisting of the Fc protein. • R protein Fc? Rl la, Fc? Rl lb protein, Fc? Rllc protein, Fc? RII I protein, FceRI protein and FcaRI protein.