CRYSTALLINE ZAP FAMILY PROTEINS

Abstract: The invention relates to human ZAP-70, and in particular, to the region of ZAP-70 containing the tandem Src homology-2 ("SH2") domains, to crystalline forms thereof, liganded or unliganded, which are particularly useful for the determination of the three-dimensional structure of the protein. The three-dimensional structure of the tandem SH2 region of ZAP provides information useful for the design of pharmaceutical compositions which inhibit the biological function of ZAP and other members of the ZAP family of SH2 domain-containing proteins, particularly those biological functions mediated by molecular interactions involving one or both SH2 domains.

Description: Crystalline ZAP Family Proteins Copyright Notice A portion of the disclosure of this patent document contains material which is subject to copyright protection. The copyright owner has no objection to the facsimile reproduction by anyone of the patent document or patent disclosure, as it appears in the Patent and Trademark Office patent file or records, but otherwise reserves all copyright rights whatsoever. Field of the Invention The invention relates to human ZAP-70, and in particular, to the region of ZAP-70 containing the tandem Src homoiogy-2 ("SH2") domains, to crystalline forms thereof, liganded or unliganded, which are particularly useful for the determination of the three-dimensional structure of the protein. The three dimensional structure of the tandem SH2 region of ZAP provides information useful for the design of pharmaceutical compositions which inhibit the biological function of ZAP and other proteins of the ZAP famiiy, particularly those biological functions mediated by molecular interactions involving one or both SH2 domains. Background Safe and effective immunosuppressive agents are required for the treatment of patients suffering from autoimmune disorders and for recipients of transplanted organs or tissues. For instance, in the absence of an effective immunosuppressive agent, patients often reject a transplanted organ, sometimes with fatal consequences. The immunosuppressive agent must block the immune response, but must also be sufficiently well tolerated by the body to permit chronic application. For instance, one compound with immunosuppressive activity, FK506, has been used to prevent rejection of transplanted livers. However, severe kidney toxicity has been observed in patients receiving FK506, in some cases requiring kidney transplant following the liver transplant. Research aimed at discovering new immunosuppressive agents has been hampered by the lack of information about precise molecular mechanisms of the immune response. As a result, random screening of compounds has accounted for a substantial share of research efforts aimed at identifying new immunosuppressive drugs. More recently, "structure-based" approaches to drug design have been attempted. For example, compounds designed to bind to the protein FKBP, one of the cellular targets of FK506, were synthesized as candidate immunosuppressive agents. Those efforts were unfortunately doomed by the lack of understanding of the actual molecular - 1 - mechanism of immunosuppression mediated by FK506. It is now known that FK506 binds in a complex with two proteins, FKBP and calcineurin. FK506's immunosuppressive effects are due to the inhibition of calcineurin in T cells. However, since calcineurin is present and important in other cells, FK506 affects other ceils and tissues leading to undesired effects. Meanwhile, independent efforts have led to the identification of a protein tyrosine kinase, ZAP- 70, as a critical mediator of the immune response. Blocking the biological function of ZAP-70 will lead to immunosuppression. Unfortunately, until now, three-dimensional structural details of ZAP-70 have been completely unknown. In the absence of three-dimensional structural details for that protein, designing inhibitors based on that structure would have been impossible. We have now obtained crystals of a critical region of ZAP-70 containing its tandem SH2 domains, with and without bound ligands of various types, and have determined its three dimensional structure. With this information, it is now possible for the first time to rationally design inhibitors of ZAP-70 which can function as immunosuppressive agents, e.g. compounds which inhibit molecular interactions involving one or both of the ZAP-70 SH2 domains. Although the three-dimensional structures for several individual SH2 domains of other proteins are known, no one has heretofore reported determining the three-dimensional structure of a tandem SH2 region. And, as we discuss below, the three-dimensional coordinates of previously known SH2 domains would have been insufficient to solve the structure of the ZAP-70 tandem SH2 region. Summary of the Invention This invention concerns the region of human ZAP-70 spanning its two SH2 domains. We refer to that region as the "ZAP tandem SH2 region" or simply "ZAP-NC", since the region contains both the more M-terminal SH2 domain and the more C-terminal SH2 domain of human ZAP-70 (see FIG. 4). The invention begins with obtaining crystals of human ZAP-NC, complexed or uncomplexed with various ligands, of sufficient quality to determine the three dimensional (tertiary) structure of the protein by X-ray diffraction methods. In considering our work, it should be appreciated that obtaining protein crystals in any case is a somewhat unpredictable art, especially in cases in which the practitioner lacks the guidance of prior successes in preparing and/or crystalizing any closely related proteins. Obtaining our first crystals of ZAP-NC was therefore itself an unexpected result. In addition, our determination of the three-dimensional structure of ZAP-NC represents the first solution of a three-dimensional structure for a tandem SH2 region from any protein and revealed an unpredicted array of surface features which contained truly surprising structural aspects. Our results are useful in a number of applications. For example, the knowledge obtained concerning ZAP-NC can be used to model the tertiary structure of related proteins. For instance, the structure of renin has been modeled using the tertiary structure of endothiapepsin as a starting point for the derivation. Model building of cercarial elastase and tophozoite cysteine protease were each built from known serine and cysteine proteases that have less than 35% sequence identity. The resultant models were used to design inhibitors in the low micromolar range. (Proc. Natl. Acad. Sci. 1993, 90, 3583). Furthermore, altemative methods of tertiary structure determination that do not rely on X-ray diffraction techniques and thus do not require crystallization of the protein, such as NMR techniques, are simplified if a model of the structure is available for refinement using the additional data gathered by the altemative technique. Thus, knowledge of the tertiary structure of the ZAP tandem SH2 region provides a significant window to the structure of the other ZAP family members, including for example SYK. Knowledge of the three-dimensional structure of a tandem SH2 region such as ZAP-NC provides a means for investigating the mechanism of action of the protein and tools for identifying inhibitors of its function. For example, SH2 domains are known to be involved in intramolecular and intermolecular interactions, usually protein-protein interactions, which are critical for biological activity of the SH2-bearing protein. Knowledge of the three- dimensional structure of the tandem SH2 region allows one to design molecules capable of binding thereto, including molecules which are thereby capable of inhibiting the interaction of the tandem SH2 region with its natural iigand(s). Accordingly, one object of this invention is to provide a composition comprising a protein in crystalline form having a peptide sequence derived or selected from that of a protein of the ZAP family. The protein will comprise at least one, and preferably two SH2 domains, e.g., a protein containing the tandem SH2 region of ZAP-70, SYK or other related tandem SH2 containing protein, in the case of ZAP-70, the protein may comprise a peptide sequence spanning at least amino acid residues 3-279. Such a crystalline composition may contain one or more heavy atoms, e.g., one or more lead, mercury, gold and/or selenium atoms, for instance. Such a heavy atom derivative may be obtained, for example, by expressing a gene encoding the protein under conditions permitting the incorporation of one or more heavy atom labels (e.g. as in the incorporation of selenomethionine), reacting the protein with a reagent capable of linking a heavy atom to the protein (e.g. trimethyl lead acetate) or soaking a substance containing a heavy atom into the crystals. The protein may be in the form of a complex with one or more ligand molecules, "ligand" being used in the broadest sense, referring to any substance capable of observable binding to the protein. The peptide sequence of naturally occuring ligands ("ITAMs", see below) for a number of SH2 domains is known and consensus sequence information on peptide ligands for SH2 - 3 - domains has been discussed in the scientific literature. In the case of ZAP-70, peptide ligands of 15-19 residues derived in sequence from naturally occuring ligands for ZAP-70 or other SH2 domains may be used. Those ligands typically contain one or two phosphorylated tyrosine residues. Alternatively, one or both of such phosphorylated tyrosine moieties may be replaced by phosphotyrosine mimetic reagents, numerous examples of which are known in the art. Illustrative crystalline compositions of this invention having various physicochemical characteristics are disclosed infra. Preferred crystalline compositions of this invention are capable of diffracting x-rays to a resolution of better than about 3.5 A, and more preferably to a resolution of 2.6 A or better, and even more preferably to a resolution of 2.2 A or better, and are useful for determining the three-dimensional structure of the material. (The smaller the number of angstroms, the better the resolution.) Crystalline compositions of this invention specifically include those in which the crystals comprise ZAP-family proteins characterized by the structural coordinates set forth in any of the accompanying Appendices or characterized by coordinates having a root mean square deviation therefrom, with respect to backbone atoms of amino acids listed in the Appendices, of 1.5 A or less. Structural coordinates of a crystalline composition of this invention may be stored in a machine-readable form on a machine-readable storage medium, e.g. a computer hard drive, diskette, DAT tape, etc., for display as a three-dimensional shape or for other uses involving computer-assisted manipulation of, or computation based on, the structural coordinates or the three-dimensional structures they define. For example, data defining the three dimensional structure of a protein of the ZAP family, or portions or structurally similar homologues of such proteins, may be stored in a machine-readable storage medium, and may be displayed as a graphical three-dimensional representation of the protein structure, typically using a computer capable of reading the data from said storage medium and programmed with instructions for creating the representation from such data. This invention thus encompasses a machine, such as a computer, having a memory which contains data representing the structural coordinates of a crystalline composition of this invention, e.g. the coordinates set forth in our Appendices, together with additional optional data and instructions for manipulating such data. Such data may be used for a variety of purposes, such as the elucidation of other related structures and drug discovery. For example, a first set of such machine readable data may be combined with a second set of machine-readable data using a machine programmed with instructions for using the first data set and the second data set to determine at least a portion of the coordinates corresponding to the second set of machine-readable data. For instance, the first set of data may comprise a Fourier transform of at least a portion of the coordinates for ZAP or SYK proteins set forth in the Appendices hereto, while the second data set may comprise X-ray diffraction data of a molecule or molecular complex. More specifically, one of the objects of this invention is to provide three-dimensional structural information on new complexes of ZAP family members with various ligands, as well as structural information on other tandem SH2 regions, previously unsolved individual SH2 domains, new ZAP family members and muteins or other variants of any of the foregoing. To that end, we provide for the use of the structural coordinates of a crystalline composition of this invention, or portions thereof, to solve, e.g. by molecular replacement, the three dimensional structure of a crystalline form of such a protein or protein:ligand complex, typically involving a protein containing at least one SH2 domain. Doing so involves obtaining x-ray diffraction data for crystals of the protein or ρrotein:ligand co-complex for which one wishes to determine the three dimensional structure. Then, one determines the three-dimensional structure of that protein or complex by analyzing the x-ray diffraction data using molecular replacement techniques with reference to the previous structural coordinates. As described in US Patent No. 5,353,236, for instance, molecular replacement uses a molecule having a known structure as a starting point to model the structure of an unknown crystalline sample. This technique is based on the principle that two molecules which have similar structures, orientations and positions in the unit cell diffract similarly. Molecular replacement involves positioning the known structure in the unit cell in the same location and orientation as the unknown structure. Once positioned, the atoms of the known structure in the unit cell are used to calculate the structure factors that would result from a hypothetical diffraction experiment. This involves rotating the known structure in the six dimensions (three angular and three spatial dimensions) until alignment of the known structure with the experimental data is achieved. This approximate structure can be fine-tuned to yield a more accurate and often higher resolution structure using various refinement techniques. For instance, the resultant model for the structure defined by the experimental data may be subjected to rigid body refinement in which the model is subjected to limited additional rotation in the six dimensions yielding positioning shifts of under about 5%. The refined model may then be further refined using other known refinement methods. For example, one may use molecular replacement to exploit a set of coordinates such as set forth in Appendix I, Appendix II or Appendix III to determine the structure of a crystalline co- complex of ZAP-NC, or a portion thereof, with a ligand other than the ζ1 peptide. Likewise one may use that same approach to determine the three dimensional structure of a co-complex of SYK-NC, or a portion thereof, with a ligand therefor. Another object of the invention is to provide a method for determining the three-dimensional structure of a protein containing at least one SH2 domain, or a co-complex of the protein with a - 5 - ligand therefor, using homology modeling techniques and structural coordinates tor a composition of this invention. Homology modeling involves constructing a model of an unknown structure using structural coordinates of one or more related proteins, protein domains and/or subdomains. Homology modeling may be conducted by fitting common or homologous portions of the protein or peptide whose three dimensional structure is to be solved to the three dimensional structure of homologous structural elements. Homology modeling can include rebuilding part or all of a three dimensional structure with replacement of amino acids (or other components) by those of the related structure to be solved. For example, using the structural coordinates of ZAP-NC complexed with the ζ1 peptide, one may determine the three dimensional structure of SYK-NC or a portion thereof, using homology modeling. A set of coordinates defining the three dimensional structure of SYK-C complexed with the peptide Thr- pTyr-Glu-Thr-Leu which were obtained from evaluation of NMR data are set forth in Appendix IV. Those coordinates may be stored, displayed, manipulated and otherwise used in like fashion as the ZAP-NC coordinates of Appendices I - III. Thus, crystalline compositions of this invention provide a starting material for use in solving the three-dimensional structure of other members of the ZAP-70 family of proteins, notably SYK, as well as newly discovered proteins containing at least one SH2 domain and linking polypeptide (i.e., non-SH2 polypeptide) where the linking polypeptide has at least about 25% peptide sequence similarity, or preferably identity, to a portion (preferably at least six amino acids) of the ZAP-NC or SYK-NC inter-SH2 linking domain. Sequence similarity may be determined using any conventional similarity matrix. See e.g. Dayhoff, M.O.; Schwartz, R.M.; Orcutt, B.C., Atlas of Protein Sequence and Structure 1979, 5, Suppl. 3,345; Greer, J., J. Mol. Biol. 1981 , 153, 1027; and Gonnet, G.H., Cohen, M.A., Benner, S.A. Science 1992, 256, 1443. Proteins containing at least one SH2 domain together with non-SH2 domain peptide sequence homologous to the interdomain linker of ZAP or SYK, i.e. containing at least 25% peptide sequence identity or similarity as described above, are considered ZAP famiiy members for the purpose of this disclosure. By way of further example, the structure defined by the machine readable data may be computationally evaluated for its ability to associate with various chemical entities. The term "chemical entity", as used herein, refers to chemical compounds, complexes of at least two chemical compounds, and fragments of such compounds or complexes. For instance, a first set of machine-readable data defining the 3-D structure of a ZAP-family protein, or a portion or co-complex thereof, is combined with a second set of machine-readable data defining the structure of a chemical entity or moiety of interest using a machine programmed with instructions for evaluating the ability of the chemical entity or moiety to associate with the ZAP-family protein or portion or complex thereof and/or the location and/or orientation of such association. Such methods provide insight into the location, orientation and energetics of association of the ZAP family protein with such chemical entities. Chemical entities that are capable of associating with the ZAP family member may inhibit its interaction with naturally occurring ligands for the protein and may inhibit biological functions mediated by such interaction. In the case of ZAP-70, such biological functions include activation of T cells during an immune response. Such chemical entities are potential drug candidates. The protein structure encoded by the data may be displayed in a graphical format permitting visual inspection of the structure, as well as visual inspection of the structure's association with chemical entities. Altematively, more quantitative or computational methods may be used. For example, one method of this invention for evaluating the ability of a chemical entity to associate with any of the molecules or molecular complexes set forth herein comprises the steps of: a) employing computational means to perform a fitting operation between the chemical entity and a binding pocket or other surface feature of the molecule or molecular complex; and b) analyzing the results of said fitting operation to quantify the association between the chemical entity and the binding pocket. This invention further provides for the use of the structural coordinates of a crystalline composition of this invention, or portions thereof, to identify reactive amino acids, such as cysteine residues, within the three-dimensional structure, preferably within or adjacent to a ligand binding site; to generate and visualize a molecular surface, such as a water-accessible surface or a surface comprising the space-filling van der Waals surface of all atoms; to calculate and visualize the size and shape of surface features of the protein or complex, e.g., ligand binding pockets; to locate potential H-bond donors and acceptors within the three- dimensional structure, preferably within or adjacent to a ligand binding site; to calculate regions of hydrophobicity and hydrophilicity within the three-dimensional structure, preferably within or adjacent to a ligand binding site; and to calculate and visualize regions on or adjacent to the protein surface of favorable interaction energies with respect to selected functional groups of interest (e.g. amino, hydroxyl, carboxyl, methylene, alkyl, alkenyl, aromatic carbon, aromatic rings, heteroaromatic rings, substituted and unsubstituted phosphates, substituted and unsubstituted phosphonates, substituted and unsubstituted fluoro and difluorophosphonates; etc.). One may use the foregoing approaches for characterizing the protein and its interactions with moieties of potential ligands to design or select compounds capable of specific covalent attachment to reactive amino acids (e.g., cysteine) and to design or select compounds of complementary characteristics (e.g., size, shape, charge, hydrophobicity/hydrophilicity, ability to participate in hydrogen bonding, etc.) to surface features of the protein, a set of which may be preselected. Using the structural coordinates, one may also predict or calculate the orientation, binding constant or relative affinity of a given ligand to the protein in the complexed state, and use that information to design or select compounds of improved affinity. In such cases, the structural coordinates of the ZAP family protein, or portion or complex thereof, are entered in machine readable form into a machine programmed with instructions for carrying out the desired operation and containing any necessary additional data, e.g. data defining structural and/or functional characteristics of a potential ligand or moiety thereof, defining molecular characteristics of the various amino acids, etc. One method of this invention provides for selecting from a database of chemical structures a compound capable of binding to a ZAP family protein. The method starts with structural coordinates of a crystalline composition of the invention, e.g., coordinates defining the three dimensional structure of a ZAP famiiy protein or a portion thereof. Points associated with that three dimensional structure are characterized with respect to the favorability of interactions with one or more functional groups. A database of chemical structures is then searched for candidate compounds containing one or more functional groups disposed for favorable interaction with the protein based on the prior characterization. Compounds having structures which best fit the points of favorable interaction with the three dimensional structure are thus identified. It is often preferred, although not required, that such searching be conducted with the aid of a computer. In that case a first set of machine-readable data defining the 3D structure of a ZAP- family protein, or a portion or protein-iigand complex thereof, is combined with a second set of machine readable data defining one or more moieties or functional groups of interest, using a machine programmed with instructions for identifying preferred locations for favorable interaction between the functional group(s) and atoms of the protein. A third set of data, i.e. data defining the location(s) of favorable interaction between protein and functional group(s) is so generated. That third set of data is then combined with a fourth set of data defining the 3D structures of one or more chemical entities using a machine programmed with instructions for identifying chemical entities containing functional groups so disposed as to best fit the locations of their respective favorable interaction with the protein. Compounds of the structures selected or designed by any of the foregoing means may be tested for their ability to bind to a ZAP famiiy protein, inhibit the binding of a ZAP famiiy protein to a natural or non-natural ligand therefor, and/or inhibit a biological function mediated by a ZAP family member. This invention also provides peptidomimetic methods for designing a compound capable of binding to a ZAP family protein. One such method involves graphically displaying a three- dimensional representation based on coordinates defining the three-dimensional structure of a ZAP family protein or a portion thereof complexed with a ligand. Interactions between portions of a ligand and the protein are characterized in order to identify candidate moieties for replacement. One or more portions of the ligand which interact with the protein may be replaced with substitute moieties selected from a knowledge base of one or more candidate substitute moieties, and/or moieties may be added to the ligand to permit additional interactions with the protein. The computational approaches and structural insights disclosed herein also permit the design or identification of molecules with reduced capability, or substantial /πability, to bind to a ZAP family protein. To such end, one may apply the same modeling and computational methods to the data described herein, but with the opposite goal, i.e., to design or identify compounds which lack substantial binding affinity to one or more ZAP family members. That can be useful in research efforts aimed at discovery of inhibitors of SH2-mediated interactions other than those mediated by a ZAP family member. The goal of such efforts are inhibitors of those other SH2- mediated interactions which lack ZAP-family mediated activities, such as immunosuppression, which in that context, would be undesired side effects. Compounds first identified by any of the methods described herein are also encompassed by this invention. Brief Description of the Drawings FIG. 1A Backbone ribbon representation of the overall fold of the complex of ZAP-NC and the ζl peptide oriented such that the N-terminal SH2 domain is on the left-hand side of the figure, the C-terminal SH2 domain is on the right-hand side of the figure and the inter-SH2 domain region is in the middle, dropping toward the bottom of the figure. Secondary structural elements are labeled according to the convention for SH2 domains. 20 An α-carbon trace of the peptide is included. All elements are labeled in ZAP-N; in ZAP-C, only the central sheet and helices are labeled. Termini of the protein and peptide are denoted by N and C. Loop regions are named for the secondary elements which they connect, i.e., the BC loop connects strands B and C. The N terminus of the peptide is at the right-hand side of the figure. The peptide consists of 19 residues, starting at residue 48 of the mature ζ subunit of the T cell receptor (TCR). Phosphotyrosines are at relative positions 4 and 15. Definition of least squares planes fitted to the main chain atoms of each pYXXL motif generates a pair of planes at an angle of 120X Due to the staggered orientation of the SH2 domains, the pYXXL motifs are separated by an "S"-shaped segment of peptide. This sequence contains nearly one full turn of an α-helix between residues ζ - 9 - Asn 8 and ζ Arg 12. Pockets for each pY and pY+3 residue are visible. It is notable that the N- terminai ζ * | residues contribute to the enclosure of ζ pTyr 4. The figure was generated with Sybyl (Tripos). An electron density map of the region near the interface between the two SH2 domains may be calculated with 2IFol-IFcl coefficients for data between 15.0 and 1.9 A, contoured at 1.0 s. FIG. 1 B The BC loop, from β B5 to β C3, of ZAP-N may be superimposed with the corresponding residues of the Lck SH2:middle T complex 20 and the relative position of the BC loops examined when the structures are fitted according to secondary structural elements. Superimposition of the backbone atoms of the loops results in an r.m.s. deviation of 0.65 A. Similar results are observed with the BC loop of ZAP-C. In complexes of phosphopeptides with isolated SH2 domains, the BC loop contributes nearly half of the direct hydrogen bonds to the phosphate group. For both SH2 domains of ZAP-NC, the BC loop is extended such that several waters are mediating contact between the loop and the phosphate group. An extended conformation is also observed for uncomplexed SH2 domains, and has been reported in complexes with peptides in which the phosphate group is replaced by a phosphonate. 14 The loop is repositioned via a hinged motion about the residues at β B5 and β C3. The BC loop of ZAP-C is more extended; ZAP-N experiences hindered motion about BC due to its interactions with ZAP-C. FIG. 2 Sequence alignments [SEQ ID NOS 21 - 25] for selected SH2 domains. 33 Boxed areas indicate segments used for measuring "full" backbone r.m.s. deviation; unboxed areas are excluded from the calculation due to the presence of gaps for one or more of the sequences. Notation below the alignments indicate structurally conserved regions, and use the previously reported nomenclature; 20 these regions were used for the "core" r.m.s. deviation calculation. Thin-lined boxed areas within ZAP-N and ZAP-C indicate the secondary structural elements in ZAP-NC. Src = avian Src; Lck = human p56-Lck; Syp-N = N-terminal SH2 of murine Syp phosphatase (PTP1 D); ZAP-N(C) = N- or C- terminal SH2 of human ZAP-70. FIG. 3 Phosphotyrosine binding sites. The phosphotyrosine residues are oriented in a similar fashion in each figure to facilitate direct comparison, a, Selected residues for the ζ pTyr 4 association with ZAP-C. Direct hydrogen bonds to the phosphate group of ζ pTyr 4 are indicated by dashed lines. Crystallographic waters are indicated as spheres; waters labeled 551 , 555, and 556 make bridging contacts between the phosphate and the SH2 domain, water 622 forms a bridge to ζ-j . b, Selected residues in close association with ζ pTyr 15. As in a, dashed lines indicate direct hydrogen bonds to the phosphate group. Tyr 238 and Lys 242 from ZAP-C complete the hydrogen-bonding network of the phosphate. Waters are represented as spheres; all of them are involved in salt-bridging the phosphotyrosine to the SH2 domains. Several residues that form the pocket have been omitted for clarity, c. The interface between the SH2 domains involves an extensive network of hydrogen bonds. Interactions involving ζ pTyr 15 - 10 - have been described elsewhere herein. Several hydrophobic contacts also exist, the most provocative of these is the protrusion of Arg 41 (ZAP-N BC loop) into a small hydrophobic depression formed by Phe 229 (ZAP-C β F), Tyr 238 (ZAP-C αB), and the side chain of Thr 227 (ZAP-C EF loop). Arg 41 also has three hydrogen-bonding contacts to ZAP-C. This is the first of three residues in the BC loop of ZAP-N that form an artificial parallel sheet with strand F in ZAP-C. Only one of the three hydrogen-bonding contacts involves main chain atoms exclusively. FIG. 4 Schematic view of ZAP-70 bound to the ζ-| subunit of the activated T cell receptor. Left: Activation of T cells is initiated by association of the T cell receptor (TCR) with a peptide antigen bound to the major histocompatibility complex (MHC) on an antigen-presenting cell. TCR-MHC association stimulates phosphorylation of T cell receptor subunits on tyrosiπes within the ITAMs (most likely by the Src family PTKs, Lck or Fyn). ZAP-70 binds to the phosphorylated ITAM via its tandem SH2 domains (amino acids 1-259) in an orientation such that the N-SH2 domain binds to the C-proximal pYXXL motif and the C-SH2 domain binds the N-proximal pYXXL motif. Proposed positions of the other domains of ZAP-70, referred to as interdomain B (amino acids 260-310) and catalytic domain (amino acids 311 -620) are illustrated. Two ZAP-70 molecules could bind to the activated TCR complex since the ζ subunit is present as a disulfide-linked dimer. Right: Schematic representation of the complex between the SH2 domains of ZAP-70 in complex with the doubly-phosphorylated ζ-j ITAM. The SH2 domains of ZAP-70 make extensive contacts with the ζ-| peptide. The primary determinants of binding are the phosphotyrosine and leucine residues of two pYXXL sequences within an ITAM. The structure reveals a unique binding pocket for the pY of the C-proximal pYXXL motif in the interface between the two SH2 domains. In addition, the crystal structure reveals that interdomain A forms a coiled-coil helical structure. This domain may participate in positioning the two SH2 domains for association with ITAMs, and in communicating structural changes to interdomain B and/or the kinase domain upon receptor engagement. FIG. 5 depicts a binding curve of a doubly-phosphorylated ζ-1 :ZAP-NC complex, with associated Scatchard plot of the data, as determined by fluorescence polarization. FIG. 6 depicts the ZAP-NC: ζ1 complex encased in a gridded box for receptor site mapping. Only the backbone of ZAP-NM and the peptide are illustrated. Colors may be indicated as follows: red and blue for oxygen and nitrogen atoms, respectively; yellow for carbon atoms of the peptide; cyan, orange and green for N-terminal SH2 domain, the inter-SH2 spacer and the C-proximal SH2 domain carbon atoms, respectively. Note that the box encompasses space that is occupied by the peptide, as well as several interfacial regions of the SH2 domains. - 11 - FIG. 7 depicts a representative site contour map of ZAP-NC. FIG. 7A A selected region of the receptor map for ZAP-NC plus an amino cation probe contoured at -10 kcal/mol. A pocket on the protein surface is indicated by a solvent-accessible surface. FIG. 7B The individual amino acids that are in close proximity to the contour map are shown explicitly. The position of the contour indicates that strong interactions will be achieved between a hydrogen-bond donating moiety and the main chain carbonyl oxygens of Arg 192, Glu 194, and Thr 197, as well as the side chains of Gin 195 and Tyr 198. FIG. 8 depicts a computer system. FIG. 9 depicts storage media of this invention. Detailed Description of the invention A. Introduction: The immune response is mediated by signalling through the T cell receptor complex with which ZAP-70 is associated T cell recognition of antigen-presenting cells initiates a cascade of intracellular processes that ultimately result in changes in gene expression, the production of secreted mediators, and cellular proliferation. 1 > 2 This recognition is mediated by the T cell receptor (TCR), which consists of the antigen binding subunits α and β , the CD3 complex of δ-ε and γ -ε heterodimers, and the ζ homodimer. With the exception of α and β , the intracellular portion of each subunit includes one to three peptide sequences that contain the motif YXX( )X(7-8)YXX(L/I), where X is variable. 3 Following receptor stimulation, these immunoreceptor tyrosine activation motifs, or ITAMs, become phosphorylated on tyrosine residues and in this modified form, provide binding sites for downstream signaling proteins. The TCR has no intrinsic protein tyrosine kinase (PTK) activity, however members of both the Src family and the SYK/ZAP-70 family of PTKs are implicated in the functioning of antigen receptors. 4 Current evidence indicates that Src family kinases phosphorylate the ITAMs of the TCR. ZAP-70 then associates with the doubly-phosphorylated ITAMs of the ζ and CD3 ε chains through its SH2 domains 5 and is itself phosphorylated during early T cell activation. 6 ZAP-70 (£ associated protein) is a 70 KDa protein tyrosine kinase that is expressed exclusively in T cells and NK cells. 7 ZAP-70 is known to play a critical role in T ceil activation. Genetic alterations in the ZAP-70 gene that cause loss of expression of ZAP-70 in humans prevent antigen activation of CD4 + T cells, inhibit maturation of CD8 + T cells, and lead to severe combined immunodeficiencies. 8 * 9 ZAP-70 binding to the TCR is believed to be essential for signal transduction since peptides that block the association of ZAP-70 with the ζ chain also - 12 - inhibit T cell signaling events. 1 0 For these reasons, ZAP-70 is an ideal target for the development of novel immunosuppressive therapies. The first 259 residues of ZAP-70 consist of two SH2 domains that are connected by a 65 residue segment and are followed by a second connecting region and a catalytic domain. 7 SH2 domains consist of approximately 100 amino acids. Their role in the specific recognition of tyrosine-phosphorylated proteins is integral to a variety of intracellular signaling events (recently reviewed in 1 1 - 12 ). Several SH2 domains have been demonstrated to retain the ability to bind with high affinity to short peptides that contain phosphotyrosine (pY) when expressed as isolated proteins. Selectivity for isolated SH2 domains is dependent upon recognition of residues immediately C-terminal to the phosphorylated tyrosine (pY+n). The three-dimensional structures of several isolated SH2 domains (both liganded and unliganded), 1 3 - 14 as well as one SH3-SH2 complex 1 5 and one SH3-SH2-SH3 protein, 1 6 have been determined by X-ray crystallography or NMR. In order to bind to the TCR, ZAP requires that both of its SH2 domains are present and functional and that both tyrosines within the ITAM are phosphorylated. 17 " 1 9 B . Structure Determination Despite the pivotal role of ZAP-70 in the immune response, nothing was known of the three- dimensional architecture by which the tandem SH2 region of ZAP-70 engages the ITAMs in the interactions required for its biological activity. X-ray crystallographic techniques could in principle address such issues. However, notwithstanding the key biological functions mediated by ZAP-70 and other ZAP family members such as SYK, there have been no reports disclosing that suitable crystals had been or could be obtained, let alone reports disclosing any x-ray crystallographic data or other information concerning the three-dimensional structure of any tandem SH2 domain. Even in the event that crystals had been obtained, then-available three- dimensional structural data relating to individual SH2 domains would not have been useful in solving the tandem structure, at least in part, because it wouldn't have permitted least squares minimization techniques necessary for structure refinement. Nonetheless, we have succeeded in producing a protein containing the peptide sequence of the region of human ZAP-70 spanning both the more N-terminal SH2 domain, the more C-terminal SH2 domain and the linking region ("ZAP-NC"), and have obtained crystals of that protein, crystallized in unliganded form and in complexes with various ligands. Using such materials, we have solved the three-dimensional structure of ZAP-NC using x-ray diffraction techniques. In view of our successes as disclosed herein, it can now be said that proteins comprising tandem SH2 domains, especially those of ZAP family members such as ZAP and SYK, can be produced in stable form, purified, and crystallized whether in complexes with a ligand or not, and that their - 13 - three-dimensional structures can be determined, all using materials and methods such as disclosed herein. Materials As mentioned elsewhere, ZAP-NC is one of a number of proteins that contain two src-homology 2 (SH2) domains. The presence and boundaries of an SH2 domain in a protein sequence can be identified by using a computer alignment program that identifies amino acid sequence homology to a known SH2 domain. Generally, the SH2 domain (amino acids between 140-255) of Src are used for such analyses, but SH2 domains from other proteins can be used as well. The alignment method typically used by such programs is the Needleman-Wunch alignment. See e.g., "A General Method Applicable to the Search for Similarities in the Amino Acid Sequence of Two Proteins." Needlman, S.B.; Wunch, C.D. J. Mol. Biol. 1970, 48 , 443-453. SH2 domains have been identified in a large and growing number of proteins, some of which contain multiple SH2 domains. For example, tandem SH2 regions are present in human ZAP-70 (spanning amino acids 1 -259), human SYK (spanning amino acids q - z), PLCγ , PI3K, rasGAP, SH-PTP1 , and SH-PTP2. We expressed ZAP-NC as a glutathione-S-transferase (GST) fusion protein. The cDNA encoding residues 1 -259 from human ZAP-70 1 ° was cloned into the pGEX2T expression vector 41 and transformed into E. coli BL21 or E. coli B834. The resulting construct produced a fusion protein of GST-ZAP-NC linked by a polypeptide segment containing the sequence -LVPRGS- which comprises a thrombin cleavage site. The selenomethionyl (SeMet) ZAP-NC was produced using the auxotrophic strain of E. coli 834 42 with the selenomethionine replacing methionine in a defined media. The GST-ZAP-NC fusion protein was isolated using glutathione agarose and then cleaved with thrombin. Cleavage yields two polypeptides, the GST and ZAP-NC. The ZAP-NC polypeptide contains two extra amino acids (Gly-Ser) at the amino terminus from the linker segment of the pGEX2T expression vector. These two extra amino acids were shown to have no functional effect on ZAP-NC binding to peptide ligands. ZAP-NC was separated from GST by binding ZAP-NC to a phosphotyrosine agarose column and eluting with a salt gradient. Subsequently, ZAP-NC was further purified on a phenyl sepharose column. ZAP-NC:peptide ligand complexes were formed by mixing two-fold excess of peptide and purified ZAP-NC, then subjecting the mixture to chromatography using a superdex 75 gel filtration column. Fractions containing the purified ZAP-NC:peptide complex were combined and used for subsequent crystallization experiments. Other ZAP-NC proteins may also be used, including ZAP-NC proteins truncated at the N- terminus and/or C-terminus to contain just the SH2 homology boundaries. Likewise, the protein may be extended at the C-terminus to include additional amino acids extending to include additional domains (spacer B) up to the entire ZAP-70 protein (amino acids 1-620). - 14 - Additionally, other tandem SH2 regions, especially from human and non-human ZAP famiiy members, including proteins such as human SYK, may be prepared and used in analogous fashion to that described herein. It should further be appreciated that other expression systems may be readily employed. For instance, the tandem SH2 protein may be produced in E. coli using T7, maltose-binding protein fusion (MBP), with epitope tags (His6, HA, myc, Flag) included or cleaved off. Baculoviral expression may be used, e.g. using pVL1393 or derivatives, for tandem SH2 protein, fused (or not) to epitope tag or fusion partner such as GST. Conventional materials and methods for expression in mammalian, yeast or other ceils may also be used. Peptide ligands for co-crystallization with ZAP-NC or other tandem SH2 proteins may be prepared using conventional methods, containing peptide sequences based on naturally occurring ITAM sequences such as ITAM sequences derived from the T cell receptor ζ 1 , ζ2, ζ3, ε, γor δ subunits or from the β or γ subunits of the IgE receptor, for example. In most cases such ligands will contain the 15 amino acid minimal ITAM sequence YXXLXXXXXXXYXXL [SEQ ID NO 1] and may contain additional amino acids at either or both the N- and C-termini. The N-terminus may comprise a free amino group or may be modified, e.g. amidated. Likewise, the C-terminus may be a free carboxylate or may be amidated or otherwise modified. Tyrosines may (each) be phosphorylated (pTyr). Altematively, difluourophosphonoTyr, phosphonomethyl phenylalanine, hemi-phosphorylated Tyr, or other pTyr mimetics may be used in place of pTyr. The ligand may contain amino acid replacements, insertions or deletions with respect to a naturally occurring ITAM sequence. Furthermore, hybrid peptide-nonpeptide ligands and non¬ peptide ligands may also be used. Examples of such ligands are depicted in Table 1. Crystallization Crystallization experiments were conducted using a sparse matrix screening approach, in the case of ZAP-NC crystals, beginning with a Crystal Screen 1 kit (Hampton Research, Riverside, CA). Crystals containing SYK-NC were obtained as described below. In the case of ZAP-NC, best results were obtained using protein stabilized in 0.5 M NaCI, followed by removal of salt by dialysis prior to the crystallization experiments. Special handling of that sort was not necessary for SYK-NC, but may be useful for other tandem SH2 containing proteins. For example, crystals of ZAP-NC complexed with the doubly-phosphorylated 19meric ζ-| ITAM peptide (Ligand 5, Table 1 ) were grown from polyethylene glycol (PEG) 4000. The structure was elucidated by multiple isomorphous replacement at 1.9 A resolution. It was not possible to solve the structure by molecular replacement alone using coordinates for previously determined SH2 domains. This was due to the low sequence identity with other SH2 domains and between the two ZAP domains, as well as to the presence of the 65 residue interdomain region. The details of crystallization, data collection, multiple isomorphous replacement (MIR), and refinement are described below. - 15 - Specifically, ZAP-NC complexed with doubly-phosphorylated ζ*| peptide was concentrated to 30 mg/ml in 20mM Tris, pH 8.5, 200mM sodium chloride and 20mM dithiothreitol. The complex was treated with 4mM trimethyllead acetate (TML). Crystals were obtained by vapor diffusion in hanging drops containing 13.5 mg/ml complex and 10% PEG 4000, 50mM sodium citrate, 100mM ammonium acetate, 0.005% sodium azide and 20mM dithiothreitol, pH 6.2, over reservoirs of 20% PEG 4000 and 20mM dithiothreitol. The crystals are monoclinic (P2-| , a=50.11 , b=63.37, c=54.00 A, β =114.44°) with one molecule per asymmetric unit. In other experiments, using similar conditions, we were also able to obtain crystals of ZAP-NC complexed with doubly-phosphorylated ζ*ι peptide which were found to contain two molecules per asymmetric unit. Those crystals are also monoclinic (P2*| , a=65.17, b=62.00, c=78.67 A, β =1 1 1 .32°). As described in detail in Experimental Example III (A) and (B), crystals were also obtained under similar conditions of liganded and unliganded ZAP-NC and SYK-NC proteins. TABLE 1 : Various Tandem SH2 Ligands (1) IgE γTAM 19mer [SEQ ID NO 2] Ac. Asp. Gly. Val. pTyr. Thr. Gly. Leu. Ser. Thr. Arg. Asn. Gin. - Glu.Thr.pTyr.Glu.Thr.Leu.Lys.NH2 (2) IgE γTAM 15mer [SEQ ID NO 3] Ac.pTyr.Thr.Gly.Leu.Ser.Thr.Arg.Asn.Gln.Glu.Thr.pTyr.Glu.Thr.Leu.NH2 (3) Ac-[pY 4 * 1 5 ] IgE γTAM 25mer [SEQ ID NO 4] Ac. Asp. Gly. Val. pTyr. Thr. Gly. Leu. Ser. Thr. Arg. Asn. Gin. - Glu.Thr.pTyr.Glu.Thr.Leu.Lys.His.Glu.Lys.Pro.Pro.Gln.OH (4) Ac-[pY 6 * 1 7 ] IgE γTAM 27mer [SEQ ID NO 5] Ac. Lys. Ser. Asp. Gly. Val. pTyr. Thr. Gly. Leu. Ser. Thr. Arg. Asn. Gin. - Glu.Thr.pTyr.Glu.Thr.Leu.Lys.His.Glu.Lys.Pro.Pro.Gln.OH (5) [pY 4 * 1 5 ]TCRζTAM 1 (19mer ζ *ι ) [SEQ ID NO 6] Ac. Asn. Gin. Leu. pTyr. Asn. Glu. Leu. Asn. Leu. Gly. Arg. Arg. Glu. - Glu.pTyr.Asp.Val.Leu.Asp.NH2 16 - (6) Ac-pY[ 3 - 1 5 ]-Nle[ 1 1 ]-NH2 (19mer ζ2) [SEQ ID NO 7] Ac. Gly. Leu. pTyr. Asn. Glu. Leu. Gin. Lys. Asp. Lys. Nle. Ala. Gl u.- Ala. Tyr. Ser. Glu. lie. Gly. NH2 (7) Ac-pY[ 4* 1 5 l-TCRζ3 [SEQ ID NO 8] Ac. Asp. Gly. Leu. pTyr. Gin. Gly. Leu. Ser. Thr. Ala. Thr. Lys. Asp. - Thr.pTyr.Asp.Ala.Leu.His.NH2 (8) Ac-[Phe(p-l) 3 ]-TCRζTAM(1 )-N H2 [SEQ ID NO 9] (9) Ac-F2Pmpf 4 . 1 5 1 - ζi NH2 [SEQ ID NO 10] Ac. Asn. Gin. Leu. F2Pmp. Asn. Glu. Leu. Asn. Leu. Gly. Arg. Arg. Glu. - Glu.F2Pmp.Asp.Val.Leu.Asp.NH2 (10) IgE γ analog [SEQ ID NO 11] Ac.Asp.Gly.Val.pTyr.Thr.Gly.Leu.Ala.Ala.Ala.Ala.pTyr.Glu.Thr.Leu.Lys.NH2 (1 1 ) Ac-pY-Thr-nmGly-nmLeu-NH2 [SEQ ID NO 13] Notes: (a) Ligands (1), (5) - (10) and (1 1 ) co-crystallized with ZAP-NC. Of those, (5), (7), (8) and (9) formed dimeric crystals, i.e., containing two ligand:ZAP-NC complexes per asymmetric unit. (1 ), (5), (6) and (10) formed crystals containing one iigand:ZAP-NC (containing lead) per asymmetric unit. (1 ) - (5) co-crystallized with SYK-NC, with several molecules of complex per asymmetric unit. 17 SEQUENCE LISTING (1) GENERAL INFORMATION: (i) APPLICANT: ARIAD PHARMACEUTICALS, INC. (ii) TITLE OF INVENTION: CRYSTALLINE ZAP-FAMILY PROTEINS (iii) NUMBER OF SEQUENCES: 25 (iv) CORRESPONDENCE ADDRESS: (A) ADDRESSEE: David L. Berstein, ARIAD Pharmaceuticals, Inc. (B) STREET: 26 Landsdowne Street (C) CITY: Cambridge (D) STATE: Massachusetts (E) COUNTRY: USA (F) ZIP: 02139-4234 (v) COMPUTER READABLE FORM: (A) MEDIUM TYPE: Floppy disk (B) COMPUTER: IBM PC compatible (C) OPERATING SYSTEM: PC-DOS/MS-DOS (D) SOFTWARE: Patentin Release #1.0, Version #1.30 (vi) CURRENT APPLICATION DATA: (A) APPLICATION NUMBER: PCT/US96/13918 (B) FILING DATE: 30-AUG-1996 (C) CLASSIFICATION: (vii) PRIOR APPLICATION DATA: (A) APPLICATION NUMBER: US 60/002,972 (B) FILING DATE: 30-AUG-1995 (vii) PRIOR APPLICATION DATA: (A) APPLICATION NUMBER: US 60/003,312 (B) FILING DATE: 06-SEP-1995 (viii) ATTORNEY/ GENT INFORMATION: (A) NAME: BERSTEIN, David L. (B) REGISTRATION NUMBER: 31,235 (C) REFERENCE/DOCKET NUMBER: 347C-PCT (ix) TELECOMMUNICATION INFORMATION: (A) TELEPHONE: 617-494-0400 (B) TELEFAX: 617-494-0208 (2) INFORMATION FOR SEQ ID NO:l: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 15 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (xi) SEQUENCE DESCRIPTION: SEQ ID NO:l: 17/1 Tyr Xaa Xaa Leu Xaa Xaa Xaa Xaa Xaa Xaa Xaa Tyr Xaa Xaa Leu 1 5 10 15 (2) INFORMATION FOR SEQ ID NO:2: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 ( D) OTHER INFORMATION: /product= "phosphotyrosine " / label= pTyr /note= "phosphorylated tyrosine " (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product *** "phosphotyrosine " / label= pTyr /note= "phosphorylated tyrosine " (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 (D) OTHER INFORMATION: /product= "amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:2: Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr Tyr 1 5 10 15 Glu Thr Leu Lys (2) INFORMATION FOR SEQ ID NO:3: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 15 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac 17/2 ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 12 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product *** "amidated" /label *** NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:3: Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr Tyr Glu Thr Leu 1 5 10 15 (2) INFORMATION FOR SEQ ID NO:4: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 25 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (3) LOCATION: 1 (D) OTHER INFORMATION: /product- ** "Acetylated" /label *** Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (3) LOCATION: 4 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated" (ix) FEATURE: (A) NAME/KEY: Modified-site (3) LOCATION: 15 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:4: Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr Tyr Glu 1 5 10 15 17/3 Thr Leu Lys His Glu Lys Pro Pro Gin 20 25 (2) INFORMATION FOR SEQ ID NO:5: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 27 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 6 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 17 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:5: Lys Ser Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr 1 5 10 15 Tyr Glu Thr Leu Lys His Glu Lys Pro Pro Gin 20 25 (2) INFORMATION FOR SEQ ID NO: 6: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: 17/4 (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:6: Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:7: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear ( ii ) MOLECULE TYPE : peptide ( ix) FEATURE : (A) NAME/KEY : Modif ied-site ( B ) LOCATION : 1 ( D ) OTHER INFORMATION : /product= "Acetylated " / label = Ac ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 3 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 11 (D) OTHER INFORMATION: /product ** * "Norleucine" /label= Nle ( ix) FEATURE : (A) NAME/KEY : Modif ied-site 17/5 (B) LOCATION: 15 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:7: Gly Leu Tyr Asn Glu Leu Gin Lys Asp Lys Xaa Ala Glu Ala Tyr Ser 1 5 10 15 Glu Ile Gly (2) INFORMATION FOR SEQ ID NO: 8: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION : /product*-* "phosphotyrosine " /label= pTyr /note= "phosphorylated tyrosine " (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO: 8: Asp Gly Leu Tyr Gin Gly Leu Ser Thr Ala Thr Lys Asp Thr Tyr Asp 1 5 10 15 Ala Leu His (2) INFORMATION FOR SEQ ID NO:9: 17/6 (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 16 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 3 (D) OTHER INFORMATION: /product= p-Iodo-L- Phenylalanine" /label= pl-Phe (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 12 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels pTyr /notes "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 16 (D) OTHER INFORMATION: /products "Amidated" /labels NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:9: Asn Gin Xaa Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:10: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 17/7 (D) OTHER INFORMATION: /products "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /products "difluorophosphono methyl phenylalanine" /labels F2Pmp (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /products "difluorophosphono methyl phenylalanine" /labels F2Pmp (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 (D) OTHER INFORMATION: /products "Amidated" /labels NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO: 10: Asn Gin Leu Phe Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Phe Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:11: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 16 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /products "Acetylated" /labels Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels pTyr /notes "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 12 (D) OTHER INFORMATION: /products "phosphotyrosine" /label= pTyr /notes "phosphorylated tyrosine" 17/8 (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 16 (D) OTHER INFORMATION: /products "Amidated" /labels NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:11: Asp Gly Val Tyr Thr Gly Leu Ala Ala Ala Ala Tyr Glu Thr Leu Lys 1 5 10 15 (2) INFORMATION FOR SEQ ID NO:12: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 4 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels pTyr /notes "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:12: Tyr Xaa Xaa Leu 1 (2) INFORMATION FOR SEQ ID NO:13: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 4 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /products "Acetylated" /labels Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels pTyr /notes "phosphorylated tyrosine" 17/9 (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 3 (D) OTHER INFORMATION: /products "N-methyl glycine" /labels nmGly (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /products » N-methyl leucine" /labels nmLeu (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /products "Amidated" /labels NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:13: Tyr Thr Gly Leu 1 (2) INFORMATION FOR SEQ ID NO:14: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels pTyr /notes "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /products "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:14: Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp 1 5 10 15 Val Leu Asp 17/10 (2) INFORMATION FOR SEQ ID NO:15: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels TyrP04 /notes "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels TyrP04 /notes "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:15: Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO: 16: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 22 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /products "Acetylated" /labels Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 7 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels TyrP04 /notes "phosphorylated tyrosine" 17/11 ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 18 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels TyrP04 /notes "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 22 (D) OTHER INFORMATION: /products "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:16: Lys Gly Gly Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu 1 5 10 15 Glu Tyr Asp Val Leu Asp 20 (2) INFORMATION FOR SEQ ID NO:17: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /products "phosphotyrosine" /label= TyrP04 /notes "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:17: Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:18: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 22 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide 17/12 (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /products "Acetylated" /labels Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 18 (D) OTHER INFORMATION: /products "phosphotyrosine" /label= TyrP04 /notes "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 22 (D) OTHER INFORMATION: /products "Amidated" /labels NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:18: Lys Gly Gly Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu 1 5 10 15 Glu Tyr Asp Val Leu Asp 20 (2) INFORMATION FOR SEQ ID NO:19: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION : /products "phosphotyrosine " / labels TyrP04 /notes "phosphorylated tyrosine " (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels TyrP04 /notes "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:19: Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr Tyr Glu 1 5 10 15 Thr Leu Lys (2) INFORMATION FOR SEQ ID NO:20: 17/13 (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 22 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /products "Acetylated" /labels Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 7 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels TyrP04 /notes "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 18 (D) OTHER INFORMATION: /products "phosphotyrosine" /labels TyrP04 /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 22 (D) OTHER INFORMATION: /products "Amidated" /labels NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:20: Cys Gly Gly Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu 1 5 10 15 Thr Tyr Glu Thr Leu Lys 20 (2) INFORMATION FOR SEQ ID NO:21: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 98 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (v) FRAGMENT TYPE: internal (xi) SEQUENCE DESCRIPTION: SEQ ID NO:21: Trp Tyr Phe Gly Lys Ile Thr Arg Arg Glu Ser Glu Arg Leu Leu Leu 1 5 10 15 Asn Pro Glu Asn Pro Arg Gly Thr Phe Leu Val Arg Glu Ser Glu Thr 20 25 30 17/14 Thr Lys Gly Ala Tyr Cys Leu Ser Val Ser Asp Phe Asp Asn Ala Lys 35 40 45 Gly Leu Asn Val Lys His Tyr Lys Ile Arg Lys Leu Asp Ser Gly Gly 50 55 60 Phe Tyr Ile Thr Ser Arg Thr Gin Phe Asn Ser Leu Gin Gin Leu Val 65 70 75 80 Ala Tyr Tyr Ser Lys His Ala Asp Gly Leu Cys His Arg Leu Thr Thr 85 90 95 Val Cys (2) INFORMATION FOR SEQ ID NO:22: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 98 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (v) FRAGMENT TYPE: internal (xi) SEQUENCE DESCRIPTION: SEQ ID NO:22: Trp Phe Phe Lys Asn Leu Ser Arg Lys Asp Ala Glu Arg Gin Leu Leu 1 5 10 15 Ala Pro Gly Asn Thr His Gly Ser Phe Leu Ile Arg Glu Ser Glu Ser 20 25 30 Thr Ala Gly Ser Phe Ser Leu Ser Val Arg Asp Phe Asp Gin Asn Gin 35 40 45 Gly Glu Val Val Lys His Tyr Lys Ile Arg Asn Leu Asp Asn Gly Gly 50 55 60 Phe Tyr Ile Ser Pro Arg Ile Thr Phe Pro Gly Leu His Glu Leu Val 65 70 75 80 Arg His Tyr Thr Asn Ala Ser Asp Gly Leu Cys Thr Arg Leu Ser Arg 85 90 95 Pro Cys (2) INFORMATION FOR SEQ ID NO:23: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 97 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (v) FRAGMENT TYPE: internal 17/15 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:23: Trp Phe His Pro Asn Ile Thr Gly Val Glu Ala Glu Asn Leu Leu Leu 1 5 10 15 Thr Arg Gly Val Asp Gly Ser Phe Leu Ala Arg Pro Ser Lys Ser Asn 20 25 30 Pro Gly Asp Phe Thr Leu Ser Val Arg Arg Asn Gly Ala Val Thr His 35 40 45 Ile Lys Ile Gin Asn Thr Gly Asp Tyr Tyr Asp Leu Tyr Gly Gly Glu 50 55 60 Lys Phe Ala Thr Leu Ala Glu Leu Val Gin Tyr Tyr Met Glu His His 65 70 75 80 Gly Gin Leu Lys Glu Lys Asn Gly Asp Val Ile Glu Leu Lys Tyr Pro 85 90 95 Leu (2) INFORMATION FOR SEQ ID NO:24: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 93 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (v) FRAGMENT TYPE: internal (xi) SEQUENCE DESCRIPTION: SEQ ID NO:24: Phe Phe Tyr Gly Ser Ile Ser Arg Ala Glu Ala Glu Glu His Leu Lys 1 5 10 15 Leu Ala Gly Met Ala Asp Gly Leu Phe Leu Leu Arg Gin Cys Leu Arg 20 25 30 Ser Leu Gly Gly Tyr Val Leu Ser Leu Val His Asp Val Arg Phe His 35 40 45 His Phe Pro Ile Glu Arg Gin Leu Asn Gly Thr Tyr Ala Ile Ala Gly 50 55 60 Gly Lys Ala His Cys Gly Pro Ala Glu Leu Cys Glu Phe Tyr Ser Arg 65 70 75 80 Asp Pro Asp Gly Leu Pro Cys Asn Leu Arg Lys Pro Cys 85 90 (2) INFORMATION FOR SEQ ID NO:25: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 92 amino acids 17/16 (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (v) FRAGMENT TYPE: internal (xi) SEQUENCE DESCRIPTION: SEQ ID NO:25: Trp Tyr His Ser Ser Leu Thr Arg Glu Glu Ala Glu Arg Lys Leu Tyr 1 5 10 15 Ser Gly Ala Gin Thr Asp Gly Lys Phe Leu Leu Arg Pro Arg Lys Glu 20 25 30 Gin Gly Thr Tyr Ala Leu Ser Leu Ile Tyr Gly Lys Thr Val Tyr His 35 40 45 Tyr Leu Ile Ser Gin Asp Lys Ala Gly Lys Tyr Cys Ile Pro Glu Gly 50 55 60 Thr Lys Phe Asp Thr Leu Trp Gin Leu Val Glu Tyr Leu Lys Leu Lys 65 70 75 80 Ala Asp Gly Leu Ile Tyr Cys Leu Lys Glu Ala Cys 85 90 17/17 (b) The standard triple and single letter codes for abbreviating the names of amino acids are used, i.e., Alanine (Ala, A); Arginine (Arg, R); Asparagine (Asn, N); Aspartic Acid (Asp, D); Cysteine (Cys, C); Glutamine (Gin, Q); Glutamic Acid (Glu, E); Glycine (Gly, G); Histidine (His, H); Isoleucine (Ile, I); Leucine (Leu, L); Lysine (Lys, K); Methion¬ ine (Met, M); Phenylalanine (Phe, F); Proline (Pro, P); Serine (Ser, S); Threonine (Thr, T); Tryptophan (Trp, W); Tyrosine (Tyr); and Valine (Val, V). The following terms are also abbreviated: phosphotyrosine (pTyr, pY), difiuorophosphonomethylphenylaianine (F2Pmp), Fluorenylmethyloxycarbonyl (Fmoc), N-methyl (nm) and acetyl (Ac) Data Collection Diffraction data were collected with an Rigaku R-AXIS II area detector with graphite monochromated Cu K α X-rays. Diffraction data were collected as 2° oscillation images and reduced to integrated intensities with DENZO. 43 Scaling parameters for each image were calculated with ROTAVATA 44 and applied with AGROVATA. 44 Data sets were collected for all SYK and ZAP crystals (with and without bound ligands) at -160°C except for those collected at room temperature for crystals containing ZAP-NC protein containing lead. MIR Analysis and Refinement SeMet ZAP-NC was crystallized with TML under the same conditions and data collected. Positions of the lead and selenium atoms were determined from the difference Patterson function. Anomalous dispersion measurements were included for both datasets. Heavy atom parameters were refined, and phases were obtained at 2.8 A with the program MLPHARE. 44 The MIR phases were improved with the program DM 44 with a combination of solvent flattening/histogram mapping and phase extension to 2.0 A. Electron density maps with MLPHARE and DM phases were calculated, and the polypeptide chain model was built with the program O 45 . SIGMAA 44 was used to perform several cycles of phase combination using partial model and experimental phases. Least squares refinement with simulated annealing was done using X-PLOR. The current model has all residues from Asp 3 to Asn 256 of the protein, all 19 peptide residues of zeta-1 , and 113 water molecules, plus one lead and three selenium atoms. TML is bound to Cys 1 17. See Table 2. Structural Coordinates, Their Storage and Use The structural coordinates of crystalline compositions of this invention may be obtained as described in detail herein. By way of example, Appendix I, Appendix II and Appendix III set forth the structural coordinates, in PDB format, for crystalline compositions comprising ZAP- NC: ζ1 "monomer" (one molecule of complex per unit cell), ZAP-NC: ζ2, and ZAP-NC: ζ1 "dimer" (two molecules of complex per unit cell). This invention encompasses crystalline compositions containing a ZAP family protein having a region characterized by structural coordinates set forth in Appendices I, II or lil, or by coordinates having a root mean square deviation therefrom of less than about 1.5 A, preferably - 18 less than about 1 A, and even more preferably iess than about 0.5 A, with respect to backbone atoms of amino acid residues listed there. TABLE 2: Statistics for data collection, phase determination, and refinement for ZAP-NC: ζ1 "monomer" Data Collection Resolution Reflections Completeness Rsym Rc FOM Phasing (A) (N) (%) (%) Power (20-2.8 A) TML 25 - 2.5 15,506 98.3 6.3 SeMet 25 - 2.9 23,978 98.9 4.9 0.71 0.50 1.38 TML Refinement Model 272 residues, 113 water molecules, 1 lead, 3 selenium atoms Resolution Reflections R-value Free R-value* Rms deviations (F > 2σ) (%) (%) Bonds (A) Angles (°) 10 - 1.9 23,697 20.9 25.5 0.006 1 .58 • Notes: Rsym = Σ I ii - < I >| / ∑ lj x 100 . Rc = ∑ I lFph ± Fp| - Fhcalc I/ ∑ |Fph ± F p | for centric reflections. Phasing power, F n /E where E = rms lack of closure error. FOM = Figure of merit Rvalue = ∑!|Fobs|-|Fcalcll/ ∑|F 0 bs|x 100. subset of data (10%) was excluded from refinement and used for free R-value calculation. All data with F>2σ were used for refinement. As practitioners in this art will appreciate, various computational analyses may be used to determine the degree of similarity between the three dimensional structure of a given protein (or a portion or complex thereof) and ZAP-NC or another ZAP family protein or portion or complex thereof such as are described herein. Such analyses may be carried out with commercially available software applications, such as the Molecular Similarity application of QUANTA (Molecular Simulations Inc., Waltham, MA) version 3.3, and as described in the accompanying User's Guide, Volume 3 pgs. 134 - 135. The Molecular Similarity application permits comparisons between different structures, different conformations of the same structure, and different parts of the same structure. The procedure used in Molecular Similarity to compare structures is divided into four steps: (1 ) load the structures to be compared; (2) define the atom equivalences in these structures; (3) perform a fitting operation; and (4) analyze the results. 19 Each structure is identified by a name. One structure is identified as the target (i.e., the fixed structure); all remaining structures are working structures (i.e., moving structures). Since atom equivalency within QUANTA is defined by user input, for the purpose of this invention we define equivalent atoms as protein backbone atoms (N, Cα, C and O) for all conserved residues between the two structures being compared and consider only rigid fitting operations. When a rigid fitting method is used, the working structure is translated and rotated to obtain an optimum fit with the target structure. The fitting operation uses a least squares fitting algorithm that computes the optimum translation and rotation to be applied to the moving structure, such that the root mean square difference of the fit over the specified pairs of equivalent atom is an absolute minimum. This number, given in angstroms, is reported by QUANTA. For the purpose of this invention, any set of structural coordinates of a ZAP family protein, portion of a ZAP famiiy protein or molecular complex thereof that has a root mean square deviation of conserved residue backbone atoms (N, Cα, C, O) of less than 1.5A when superimposed — using backbone atoms — on the relevant structural coordinates of a protein or complex of this invention, e.g. the coordinates listed in Appendix I, Appendix II or Appendix III, are considered identical. More preferably, the root mean square deviation is less than 1.θA. Most preferably, the root mean square deviation is less than 0.5A. The term "root mean square deviation" means the square root of the arithmetic mean of the squares of the deviations from the mean. It is a way to express the deviation or variation from a trend or object. For purposes of this invention, the "root mean square deviation" defines the variation in the backbone of a protein from the backbone of a protein of this invention, such as ZAP-NC, as defined by the structural coordinates of Appendix I, Appendix II or Appendix lil and described herein. The term "least squares" refers to a method based on the principle that the best estimate of a value is that in which the sum of the squares of the deviations of observed values is a minimum. In order to use the structural coordinates generated for a crystalline substance of this invention, e.g. the structural coordinates of ZAP-NC, ζ1 , ζ 2, or the various complexes as depicted in Appendix I, Appendix II or Appendix III, it is often necessary or desirable to display them as, or convert them to, a three-dimensional shape, or to otherwise manipulate them. This is typically accomplished by the use of commercially available software such as a program which is capable of generating three-dimensional graphical representations of molecules or portions thereof from a set of structural coordinates. 20 - By way of illustration, a non-exclusive list of computer programs for viewing or otherwise manipulating protein structures include the following: Midas (University of California, San Francisco) MidasPlus (University of California, San Francisco) MOIL (Univeristy of Illinois) Yummie (Yale University) Sybyl (Tripos, Inc.) Insight/Discover (Biosym Technologies) MacroModel (Columbia University) Quanta (Molecular Simulations, Inc.) Cerius (Molucuiar Simulations, Inc.) Alchemy (Tripos, Inc.) LabVision (Tripos, Inc.) Rasmol (Glaxo Research and Development) Ribbon (University of Alabama) NAOMI (Oxford University) Explorer Eyechem (Silicon Graphics, Inc.) Univision (Cray Research) Molscript (Uppsala University) Chem-3D (Cambridge Scientific) Chain (Baylor College of Medicine) O (Uppsala University) GRASP (Columbia University) X-Plor (Molecular Simulations, Inc.; Yale University) Spartan (Wavefunction, Inc.) Catalyst (Molecular Simulations, Inc.) Molcadd (Tripos, Inc.) VMD (University of lllinois/Beckman Institute) Sculpt (Interactive Simulations, Inc.) Procheck (Brookhaven National Laboratory) DGEOM (QCPE) RE_VIEW (Brunei University) Modeller (Birbeck College, University of London) Xmol (Minnesota Supercomputing Center) Protein Expert (Cambridge Scientific) HyperChem (Hypercube) MD Display (University of Washington) PKB (National Center for Biotechnology Information, NIH) - 21 - ChemX (Chemical Design, Ltd.) Cameleon (Oxford Molecular, Inc.) Iditis (Oxford Molecular, Inc.) For storage, transfer and use with such programs of structural coordinates for a crystalline substance of this invention, a machine-readable storage medium is provided comprising a data storage material encoded with machine readable data which, when using a machine programmed with instructions for using said data, e.g. a computer loaded with one or more programs of the sort identified above, is capable of displaying a graphical three-dimensional representation of any of the molecules or molecular complexes described herein. Machine-readable storage media comprising a data storage material include conventional computer hard drives, floppy disks, DAT tape, CD-ROM, and other magnetic, magneto-optical, optical, floptical and other media which may be adapted for use with a computer. Even more preferred is a machine-readable data storage medium that is capable of displaying a graphical three-dimensional representation of a molecule or molecular complex that is defined by the structural coordinates of a protein of the ZAP famiiy, e.g. ZAP-NC or SYK-NC, or portion thereof, and in particular, structural coordinates of ZAP-NC:ζ1 or ZAP-NC:ζ2 set forth in Appendix I, Appendix II or Appendix III (or derivatives thereof such as zapNC-z1.pdb, discussed elsewhere herein) ± a root mean square deviation from the backbone atoms of the amino acids of such protein of not more than 1.5 A. An illustrative embodiment of this aspect of the invention is a conventional 3.5" diskette, DAT tape or hard drive encoded with a data set, preferably in PDB format, comprising the coordinates of Appendix I, Appendix II or Appendix III. In another embodiment, the machine-readable data storage medium comprises a data storage material encoded with a first set of machine readable data which comprises the Fourier transform of the structural coordinates set forth in Appendix I, Appendix II or Appendix III (or again, a derivative thereof), and which, when using a machine programmed with instructions for using said data, can be combined with a second set of machine readable data comprising the X-ray diffraction pattern of a molecule or molecular complex to determine at least a portion of the structural coordinates corresponding to the second set of machine readable data. FIG. 8 illustrates one version of these embodiments. The depicted system includes a computer A comprising a central processing unit ("CPU"), a working memory which may be, e.g., RAM (random-access memory) or "core" memory, mass storage memory (such as one or more disk drives or CD-ROM drives), one or more cathode-ray tube ("CRT") display terminals, one or - 22 more keyboards, one or more input lines (IP), and one or more output lines (OP), all of which are interconnected by a conventional bidirectional system bus. Input hardware B, coupled to computer A by input lines, may be implemented in a variety of ways. Machine-readable data of this invention may be inputted via the use of a modem or modems connected by a telephone line or dedicated data line JL. Alternatively or additionally, the input hardware may comprise CD-ROM drives or disk drives D_. In conjunction with the CRT display terminal, a keyboard may also be used as an input device. Output hardware, coupled to computer A by output lines, may similarly be implemented by conventional devices. By way of example, output hardware may include a CRT display terminal for displaying a graphical representation of a protein of this invention (or portion thereof) using a program such as QUANTA as described herein. Output hardware might also include a printer, so that hard copy output may be produced, or a disk drive, to store system output for later use. In operation, the CPU coordinates the use of the various input and output devices, coordinates data accesses from mass storage and accesses to and from working memory, and determines the sequence of data processing steps. A number of programs may be used to process the machine- readable data of this invention. Examples of such programs are discussed in reference to the computational methods of drug discovery as described herein. Specific references to components of the hardware system of FIG. 8 are included as appropriate throughout the following description of the data storage medium. FIG. 9A shows a cross section of a magnetic data storage medium 100 which can be encoded with a machine-readable data that can be carried out by a system such as a system of FIG. 8. Medium 100 can be a conventional floppy diskette or hard disk, having a suitable substrate 101 , which may be conventional, and a suitable coating 102, which may be conventional, on one or both sides, containing magnetic domains (not visible) whose polarity or orientation can be altered magnetically. Medium 100 may also have an opening (not shown) for receiving the spindle of a disk drive or other data storage device 24. The magnetic domains of coating 102 of medium 100 are polarized or oriented so as to encode in a manner which may be conventional, machine readable data such as that described herein, for execution by a system such as a system of FIG. 8. FIG. 9B shows a cross section of an optically-readable data storage medium 110 which also can be encoded with such machine-readable data, or set of instructions, which can be carried out by a system such as a system of FIG. 8. Medium 110 can be a conventional compact disk read only - 23 - memory (CD-ROM) or a rewritable medium such as a magneto-optical disk which is optically readable and magneto-optically writable. Medium 100 preferably has a suitable substrate 111 , which may be conventional, and a suitable coating 112, which may be conventional, usually of one side of substrate 111. In the case of CD-ROM, coating 112 is reflective and is impressed with a plurality of pits 113 to encode the machine-readable data. The arrangement of pits is read by reflecting laser light off the surface of coating 112. A protective coating 114, which preferably is substantially transparent, is provided on top of coating 112. In the case of a magneto-optical disk, coating 112 has no pits 113, but has a plurality of magnetic domains whose polarity or orientation can be changed magnetically when heated above a certain temperature, as by a laser (not shown). The orientation of the domains can be read by measuring the polarization of laser light reflected from coating 112. The arrangement of the domains encodes the data as described above. C. Description of the Tertiary Structure of ZAP-NC:ζ Solving the X-ray crystal structure of the tandem SH2 region of human ZAP-70 (ZAP-NC) in complex with a 19meric peptide derived from the sequence of the first ITAM of the ζ subunit (ζl ) of the TCR allowed us to conduct the first three dimensional characterizaiton of the protein:ligand complex. The complex involves an elaborate array of contacts between the peptide and both SH2 domains. The 65 residue inter-SH2 region exists as a coiled-coil of α-helices and assists in the formation of an interface between the two SH2 domains. The structure reveals the startling fact that both SH2 domains contribute to the recognition of phosphotyrosine in the second pYXXL motif. This work reveals the first structural insights into the SYK/ZAP family of protein tyrosine kinases and provides the first view of an intracellular component of the TCR. General Topology The first 259 residue segment of ZAP-70 consists of two SH2 domains that are connected by a helical region. The overall fold is Y-shaped where the SH2 domains constitute each upper branch and the intervening 65 amino acid domain forms the stem. The fragment of ZAP-70 used in the crystal structure determination terminates before the kinase domain; therefore, we refer to the two SH2 regions as ZAP-N and ZAP-C, for ZAP N-terminal SH2 and ZAP C- terminal SH2, respectively. There is high structural similarity between each of the SH2 domains and those previously reported, e.g., v-Src 1 3 and p56-Lck 20 . Each of the individual ZAP SH2 domains possesses a central antiparallel β -sheet that is flanked by two α-helices. The inter-SH2 region begins as a β -strand that is a continuation of the central sheet of ZAP-N. This is followed by two antiparallel α-helices that intertwine to form a coiied-coil motif. The two - 24 - SH2 domains are in a partially staggered orientation; the central β -sheets are separated by about 29 A at an angle of ca. 52°. This arrangement allows direct contact between the two SH2 domains, which is a requisite for peptide binding. The central β -sheet in ZAP-C is extended by distinct hydrogen bonds with several residues in ZAP-N, including some side chain contacts. The i peptide is extended over both faces of the SH2 domains, straddles both central β -sheets, and makes extensive contacts with the protein surface. The binding orientation is head to tail, that is, the N-terminus of the peptide is in contact with the C-terminal SH2 domain. The N- terminal pYXXL segment of the peptide is bound to ZAP-C in a conformation similar to that seen for singiy-phosphorylated peptides bound to isolated SH2 domains. 20, 21 The peptide segment that separates the two pYXXL motifs is largely in contact with ZAP-C. The C-terminal phosphotyrosine is bound in -a pocket that is formed by contributions from both SH2 domains. The remainder of the second pYXXL motif is bound in a fashion similar to the first motif and in other complexes. 20 ' 21 The ZAP SH2 domains All residues between Asp 3 - Asn 256 are in good electron density, with no breaks. Residues Gin 2 to Leu 18 of the ζ*| peptide reside in good density, and the two terminal residues are in weak, but observable density. The nomenclature defined previously 20 for structural features of SH2 domains is used here for clarity. For the N-terminal SH2 domain (ZAP-N), the secondary structural elements are conserved but are slightly longer for strands A, E, F, and G. Due to the elongation of these strands, the sequence corresponding to a minor β -sheet (observed in previously reported SH2 domains) is an integral part of the central β -sheet in ZAP-N. More notably, helix A is longer by three residues, which extends the helix nearly a full turn. The C- terminal SH2 domain of ZAP (ZAP-C) also possesses minor extensions to several secondary structural elements. Strands B, C, and E are longer by one or two residues. Helix A is also extended by a single residue. Strand F consists of only two residues and replaces the FB loop. The BC loop of ZAP-C is extended. There is very strong electron density for a number of structural waters, both within each SH2 domain and in all domain interfaces. The existence of a large number of observed waters in the phosphotyrosine binding pockets is unique to ZAP-NC. The Helical Interdomain A The inter-SH2 spacer begins in a type II reverse turn followed by a long β -strand that makes significant contact to strand A of ZAP-N, thus forming an extension to the central β sheet. Hydrogen bonds exist between main chain atoms of Gin 111 and Tyr 12 and between Gin 111 and Ser 14. A water-mediated contact exists between the main chain atoms of Glu 109 and Tyr 12. In addition to the hydrogen bonds, hydrophobic packing exists between Leu 108 and Tyr 12 and between Pro 110 and Phe 11. 25 This segment is followed by a five-turn α-helix (designated helix C) that extends away from both SH2 domains, forming the stem of the overall Y shape of ZAP-NC. This helix is followed by a turn consisting of Leu 133 and Glu 134. A second α-helix (helix D) curves around the axis formed by helix C. Helix D is distorted, with a break at Pro 147; a second break occurs at Ala 154 which precedes a short 3ι o-helix that spans residues Thr 155 - Met 161. Helices C and D both make several hydrophobic contacts to ZAP-C, most notably a p-stacked arrangement of Phe 115 (αC) to Trp 233. Several water-mediated hydrogen bonds exist between helix D and ZAP- C. These antiparallel helices form a coiled-coil structure, with direct contact between several hydrophobic residues forming its core. For proteins that contain multiple SH2 domains, the region separating the two domains is highly variable in length. This region may be as short as 10-15 residues (e.g., PLC-γ1 , SHPTP-1 and -2), which would force the two SH2 domains into a back-to-back orientation. SYK has an inter-SH2 domain region which is of comparable length to that of ZAP, exhibits 68% sequence identity to the helical spacer described here. It should maintain the same overall conformation observed in ZAP-NC. The tandem SH2 domains of the p85 subunit of phosphtidylinositol 3' kinase (PI 3-K) are connected by a significantly larger domain of 163 residues which has been predicted to also form a coiled coil of two antiparallel α-helices. 22 Binding Interactions for the Complexed ζi Peptide The ZAP-NC:ζι complex includes a 19 amino acid peptide that is phosphorylated on both tyrosine residues and is based on the first ITAM-containing segment of the human TCR ζ chain (ζi ) which has the sequence NQLpYNELNLGRREEpYDVLD [SEQ ID NO 14] . For clarity, numbering for peptide residues begins at ζ Asn 1. The bound conformation of the ζ-j peptide is largely extended, although nearly one full α-helical turn exists between residues ζ Asn 8 and ζ Arg 12. The backbone conformation for each pYXXL motif is similar to conformations observed for high affinity complexes of SH2 domains with singiy-phosphorylated peptides. 20 ' *■* - '■ • 23 All residues of the ζ-| peptide, except for ζ Gly 10, are in contact with ZAP-NC. The area of the peptide-protein interface is over 1300A 2 . Although this interface area is typical for protein- protein interactions, the nature of the contacts is quite different from those generally observed. 24 For example, interfaces in antibody-antigen complexes and protease:protein- inhibitor complexes usually contain few bridging waters. The interaction of ZAP-NC with ζ1 includes 21 bridging waters. The majority of contacts in protein-protein interfaces are usually classified as hydrophobic. In contrast, half of the contacts between ZAP-NC and ζi are due to direct hydrogen bonds. The total number of contacts observed is considerably larger than is observed for protein-protein structures of similar interfacial areas. Binding of phosphorylated 91 peptides to individual SH2 domains has been described as reminiscent of a "socket and plug", this general arrangement is also present in ZAP-C and ZAP-N. Each socket consists of a highly - 26 - charged pocket that recognizes phosphotyrosine residues and a second pocket that prefers hydrophobic residues at the pY+3 position. Binding of Motif-1 (-pYNEL-) is Exclusive to ZAP-C The amino terminal pYXXL motif of ζ1 is associated exclusively with ZAP-C. The first two residues of ζ , ζ Asn 1 and ζ Gin 2, are largely involved in intrapeptide interactions. The single contact between ζ Leu 3 and ZAP-NC, a hydrogen bond between the main chain carbonyl of ζ Leu 3 and NH1 of Arg 170, is typical for the pY-1 residue. The pocket for ζ pTyr 4 is formed by residues from helix A, strands B, C, and D, and the BC loop. Hydrophobic contacts involve residues from β D, from which His 210, Tyr 211 , and Leu 212 form one edge of the pTyr cavity. In addition, ζ Asn 1 and ζ Gin 2 of the peptide itself form hydrophobic contacts on the opposing side. The side chain of Leu 212 is twisted away from the pTyr ring and is packed against Trp 131 from a symmetry-related molecule. This neighboring Trp, which constitutes the only intermolecular crystal contact with any ζ * ) residue, is also in hydrophobic contact to ζ pTyr 4. Direct hydrogen-bonding contacts to the phosphate are made by only three residues. Arg 170 (αA) and Arg 190 (β B) interact through their terminal nitrogens. Arg 192 is the only residue in the BC loop of sufficient length for direct hydrogen bonding to the phosphate group and interacts via its Nε. The BC loop is extended; thus, the pTyr binding region resembles a deep groove that continues toward the AA loop. The inclusion of the pY-2 and pY-3 residues as an integral part of the binding site results in the formation of a channel into which the pTyr protrudes. Five waters with very strong density and low temperature factors exist in this region and are part of a large hydrogen-bonding network. As is typical for complexes with SH2 domains, 20 ' 21 ' 23 the pY+1 and pY+2 residues are extended along the surface of the protein. The pY+1 residue (ζ Asn 5) makes contacts that are similar to those observed in the hamster middle T peptide (...pYEEl...) in complex with the SH2 domains of Lck 20 and v-Src. 21 The pY+2 residue (ζ Glu 6) is directed away from the surface of the protein. The pocket that surrounds ζ Leu 7 (pY+3) is very deep and is formed by residues from β D, the EF loop, helix B and the BG loop. Due to the size of this pocket, ζ Leu 7 is directly contacted by only 5 residues - Tyr 211 , lie 223, Gly 226, Gly 245, and Leu 246. The depth of this pocket is partially due to the presence of a leucine in helix B in ZAP-C that is occupied by a tyrosine in many other SH2 domains. 23 Even in the absence of tyrosine, very strong density is observed for two waters near this site. The main chain of ζ Leu 7 is involved in a water-mediated hydrogen bond to the carbonyl oxygen of Pro 224. A second contribution to the overall shape of the pY+3 pocket is provided by a repositioning of the β turn in the EF loop. In complexes of isolated SH2 domains, this loop is involved in forming the steep solvent-exposed wail of the - 27 - pocket. In ZAP-C, the EF loop slides toward strand D to allow the remainder of the peptide to continue on its path toward ZAP-N. Binding of Intermotif (-NLGRREE-) The peptide segment that separates the pYXXL motifs in ζ*| consists of seven amino acids which make the bulk of their contacts to ZAP-C. Since nearly a full turn of an α-helix begins at ζ Asn 8 and continues to ζ Arg 12, many contacts for this sequence are intrapeptide. ζ Asn 8 makes a main chain hydrogen bond to the carbonyl oxygen of Gly 245 (BG), and ζ Arg 12 is involved in both direct and water-mediated hydrogen bonds to the backbone carbonyl of Glu 225 (EF loop); two other water-mediated hydrogen bonds connect ζ Arg 12 to Gly 226 and Lys 228. The side chains of ζ Leu 9 and ζ Arg 12 close off the pY+3 pocket of ZAP-C. Two glutamate residues complete this segment of the ζi peptide, and because they are the pY-1 and pY-2 residues of the second pYXXL motif, they constitute the first contacts to ZAP-N. ζ Glu 13 makes a main chain hydrogen bond to the backbone carbonyl of Asp 244. More interestingly, ζ Glu 13 is involved in a direct hydrogen bond through its side chain carboxyl to the side chain amino group of Lys 242 (ZAP-C αB) which is an integral part of the phosphotyrosine pocket of the N-terminal SH2 domain, ζ Glu 13 also maintains van der Waals contact to Lys 242, as well as to Tyr 238 (ZAP-C αB) and the guanidinium group of Arg 17 (ZAP-N αA), which also contribute to the N-terminal pY pocket, ζ Glu 14 maintains the characteristic pY-1 main chain carbonyl hydrogen bond to both terminal nitrogens of Arg 17 which, in turn, contacts the aromatic ring and phosphate group of ζ pTyr 15. Binding of Motif -2 (-pYDVL-) Requires Both Domains Perhaps the most remarkable feature of the complex between ZAP-NC and ζ * | is the observation that the recognition pocket of ζ pTyr 15 is composed of residues from both SH2 domains. This is the first report of a phosphotyrosine binding site of this nature. The impinging of ZAP-C on ZAP-N sequesters ζ pTyr 15 in a deep tunnel. The side chain of ζ pTyr 15 makes van der Waals contacts to Arg 41 (BC loop), Val 47 (β C), His 58 (β D), and Pro 60 (β D). The side chain of Arg 17 is positioned over the aromatic ring of ζ pTyr 15, forming an amino-aromatic contact in addition to bridging the carbonyl of the pY-1 residue to the phosphate oxygens of ζ pTyr 15. The phosphate group is closely associated with the side chains of Tyr 238 (ZAP-C αB), Lys 242 (ZAP-C αB), Arg 17 (αA), and Arg 37 (β B), forming a total of six direct hydrogen bonds. Six water-mediated hydrogen bonds exist between the phosphate group and Arg 17 (αA), Cys 39 (β C), Leu 40 (BC loop), Arg 41 (BC loop), and Lys 242 (ZAP-C αB). The relative importance of each residue in this interface may be determined through mutagenesis experiments. Four waters with strong electron density contribute to this extensive network; the presence of these waters may be a consequence of the intrusion of ZAP-C onto residues of the BC loop (vide infra). - 28 - In this arrangement, each oxygen of the phosphate group possesses its full complement of hydrogen-bonding partners. As described for the first pYXXL motif, the pY+1 and pY+2 residues (ζ Asp 16 and ζ Val 17) make contacts that are characteristic for these positions in other SH2 complexes. 20 ' 21 • 23 ζ Leu 18 resides in a hydrophobic pocket that is of similar dimension to the pY+3 pockets observed in high affinity peptide complexes with Src family SH2 domains. A single water- mediated hydrogen bond connects the main chain NH of ζ Leu 18 to the carbonyl of Ala 72 on the EF loop. Contact to several hydrophobic residues is evident: β D contributes Phe 59; interaction with the EF loop involves Ile 71 , Ala 72, Gly 73, and Gly 74; helix B presents Tyr 87; and the BG loop makes contact via Gly 93 and Leu 94. Asp 19 of ζ*| resides in weaker density and appears to form only one hydrogen bond from its main chain nitrogen to the carbonyl of Gly 93 (BG loop). Interdomain Contacts Unlike the extensive contact area of ζ-| to ZAP-NC, the total interaction area between the ZAP-N and ZAP-C SH2 domains is small, measuring only ca. 200 A 2 . The surface area of ZAP-N that is buried by ZAP-C and the inter-SH2 spacer is only about 400 A 2 ; the corresponding buried area in ZAP-C is not significantly larger. Total burial of ZAP-N in the full complex is 620 A 2 which accounts for approximately 13% of the total surface area of the domain. Conversely, burial of ZAP-C is computed to be ca. 1000 A 2 which constitutes 20% of its total surface area. This difference is due to the presence of a large solvent accessible channel formed by the convergence of the convex side of the BC loop of ZAP-N, the FB loop and helix B of ZAP-C, and both helices of the inter-SH2 spacer. This irregularly shaped funnel has an approximate diameter of 5-7 A, and extends fully enclosed for ca. 12 A before flaring open for an additional 8 A. For the interface that is exclusively between the ZAP-N and ZAP-C domains, each SH2 domain contributes nine residues. Most of the contacts are through hydrogen bonds, and most of these are water-mediated. However, some van der Waals contacts do exist. Given that the total interface that is exclusive to the two SH2 domains may not exist in the absence of the peptide, the inter-SH2 spacer is likely to stabilize the appropriate orientation for tandem binding by permitting only minor displacements through scissoring or wagging motions. In isoelectric focusing gels, uncomplexed ZAP-NC exists as multiple bands which collapse into a single band when the ζ-| peptide is added. This microheterogeneity observed with uncomplexed ZAP-NC is consistent with conformational variability. Comparison to other SH2:phosphopeptide complexes Despite the low sequence identity (33%) between ZAP-N and ZAP-C, the similarity in overall fold is notable. Side chain positions are remarkably well-conserved between the two domains. - 29 - The overall backbone root-mean-square (r.m.s.) deviation is 1.07A ; the same measurement for ZAP-N or ZAP-C to Src family SH2 domains (individually) is typically 1.50 A, although the percentage of sequence identity is similar. As reported for previous structures of individual SH2 domains, 14, 20> 21 the loop regions display the largest positional variance, most notably loops AA, BC, CD, and EF. The CD loops of both ZAP-N and ZAP-C have a large truncation relative to the SH2 domains of the Src famiiy; this truncation is also evident from the sequences of a large number SH2 domains. 23 Although each pYXXL motif of ζ*| resides in a similar backbone conformation in the complex, the orientation of the phosphotyrosines varies between ZAP-N and ZAP-C. The aromatic ring of ζ pTyr 4 superimposes remarkably well with the pTyr in both p56-Lck 20 and v-Src. 21 For ζ pTyr 15, however, the ring is repositioned 0.7 A toward the guanidinium of Arg 17 and slips 0.8 A away from strand D. This is likely to be due to the direction ζ-| takes as it moves into the ZAP-C domain, as well as the strong hydrogen-bonding interactions between the phosphate group and Tyr 238 and Lys 242 on ZAP-C. Both pTyr pockets of ZAP-NC are large enough to permit the inclusion of several waters; this enlargement relative to other SH2 domains is due to the repositioning of the BC loop. The extended position for the BC (phosphotyrosine binding) loop observed for both SH2 domains of ZAP has been observed previously for uncomplexed SH2 domains and has been described as a hinge in the binding of tyrosine phosphorylated and phosphonated peptides. 14 ' 21 Although the loop is reoriented, the internal conformation for the BC loop is strongly maintained. The pY+3 pocket of ZAP-C is strikingly large compared to this site in other SH2 domains. This is due, in part, to repositioning of ZAP-C EF residues Pro 224 and Glu 225, as described earlier. Aside from the absence of a Tyr in αB, the location of other side chains that form this pocket are notably similar to the corresponding sites in Lck and Src. Also, in comparison with all other crystal structures of complexes of SH2 domains, a significant number of waters are present in ZAP-NC. Several are involved in bridging phosphotyrosine to the protein. These intervening water molecules may contribute to the weak affinity of individual ZAP SH2 domains for phosphorylated ITAM ligands. 17"1 9 ' 25 Additionally, a large number of buried or trapped waters exist in all of the various interfaces. Biological Significance The structure of the tandem SH2 domains of ZAP-70 in complex with a component of the ζ chain of the T cell receptor provides the first molecular glimpse into the intracellular machinery of the TCR (summarized in FIG. 4). Several unique features of this structure suggest that each SH2 domain does not function as an independent module, and that interactions between the domains play a critical role in the recognition of phosphorylated ITAM sequences of the TCR by - 30 - ZAP-70. In addition, the structural information is key to the interpretation of genetic and biochemical data and provides a framework for exploring the mechanism of action of ZAP-70. The tandem SH2 domains of ZAP-70 exhibit strong selectivity for the phosphorylated ζ and ε subunits of the TCR, while isolated SH2 domains from other proteins bind more promiscuously to many tyrosine phosphorylated proteins in total cell extracts. ° Ligand binding and selectivity for isolated SH2 domains is mediated by recognition of a phosphotyrosine and several residues C-terminai to phosphotyrosine, particularly the hydrophobic residue at the pY+3 position 1 2 . The high degree of selectivity of ZAP-70 for doubly-phosphorylated ITAM sequences appears to be a consequence of multiple structural features. The distance between the two pYXXL motifs of the ζ or ε chain provides properly spaced partners for a pair of SH2 domains that are tethered in close association by an inter-SH2 coiled coil. Association of the pair of SH2 domains with the phosphotyrosines and other ITAM residues stabilizes a conformation that permits direct interaction between the domains and hence the formation of a deep pocket for sequestering one phosphotyrosine at the domain interface. While ZAP-NC exhibits high affinity for doubly-phosphorylated ITAMS and selectivity for the ζ and ε chains, the individual SH2 domains of ZAP-70 have not been found to bind appreciably to phosphorylated peptides 5 . In addition, ZAP-NC binds to monophosphorylated ITAM-based peptides with affinities that are 100-1000 times Iower than for the corresponding doubly- phosphorylated ones. 17"1 9 ' 25 Consequently, for high-affinity binding, both SH2 domains must cooperate, and two phosphotyrosine residues must be present and arranged appropriately. The structural manifestation of this cooperativity and selectivity is also the most remarkable feature of the complex between ZAP-NC and ζi , that is, the convergence of residues from both SH2 domains to enmesh pTyr 15. To this point, it has been assumed that SH2 domains adopt their native fold when extracted from their natural molecular context and possess their full ability to recognize and bind to phosphorylated proteins. 12, 14 We present structural evidence that the N-terminai SH2 domain of ZAP-70 , if expressed in isolation, is incomplete. The groove-like nature of the pY pocket of ZAP-C suggests that this domain may also require contributions from neighboring domains or proteins. From the crystal structure, we ascertain that the orientation adopted by ZAP-70 upon association with the TCR aligns ZAP-C with the N-proximal pYXXL motif of ζi , and ZAP-N with the C-proximal motif, as depicted in FIG. 4. We believe that this orientation may be important for positioning the catalytic domain of ZAP-70 for its activation and subsequent phosphorylation of downstream substrates in the signal transduction cascade. - 31 All of the ITAMs of the TCR have a spacing of seven residues between the pYXXL motifs, except ζ2 which has a spacing of eight. In vitro binding experiments of ZAP-NC with synthetic phosphopeptides indicate that the binding hierarchy is ζ-j > 2 > ε > ζ3. 25 These results suggest that one additional residue between the pYXXL motifs is tolerated. Conversely, a two amino-acid deletion in the corresponding region of ε drastically reduces ZAP-70 binding and eliminates IL- 2 production. 17 Therefore, the distance between the two pYXXL motifs is important for association and signaling, in order to determine the relative contribution of each residue in the ITAM, experiments utilizing CD8-ζ-| chimeras were conducted, in which each residue was systematically replaced with alanine. The results demonstrate that only the replacement of each pY and pY+3 residue eliminates signaling completely, as measured by IL-2 production. 26 With the exception of these residues, the specific sequence of the ITAM is less important for selectivity than the distance between pYXXL motifs. More radical changes, such as the simultaneous replacement of multiple residues, are necessary to assess the contribution of ITAM sequences to selectivity. As described earlier, the inter-SH2 region constrains the SH2 domains within a distance that permits association. However, because a significant portion of the antiparallel helices are directed away from the SH2 domains, this region may also be involved in inter- or intramolecular contacts, regulation of kinase activity, and/or receptor clustering. The evidence that this domain forms a coiled coil of α-helices is of great interest, since these structural units are commonly involved in protein-protein interactions. 27 The inter-SH2 region of the p85 subunit of PI 3-K, which has been predicted to form a coiled coil, is necessary and sufficient for interaction of p85 with the p1 10 catalytic subunit of PI 3-K. 22 One intriguing possibility evident from our structure is that the ZAP interdomain is involved in regulation of its kinase activity. The interdomain may inhibit catalytic activity directly or indirectly, and this inhibition might be relieved upon binding of the SH2 domains to the ITAM. Experiments with PI 3-K 25 and SYK 28 , the PTK homologous to ZAP-70 , support such a. model. Addition of a phosphotyrosine-containing peptide that corresponds to Tyr 751 region of a known PI-3K SH2 binding site from the PDGFβ receptor causes activation of PI 3-K in vitro 9 Likewise, phosphorylated ITAM peptides derived from the γ subunit of the IgE receptor increase SYK kinase activity by 5-10 fold. 30 ' 31 Another function for the inter-SH2 region may be to bind to proteins that either regulate ZAP-70 activity, such as Lck and/or Fyn, or that are substrates for ZAP-70. Tyrosine 126 in the inter-SH2 region is phosphorylated by Lck in vitro 32 and could be involved in interactions with other SH2 domain-containing proteins. Finally, the inter-SH2 domain may be important for the intermolecular association between ZAP-70 molecules which might occur in the activated TCR complex. SYK should also exhibit these structural features in view of its functional similarities and sequence identity of 57% with respect to ZAP. SYK is expressed in several types of - 32 - hematopoietic cells and functions in mast cells and B cells by binding to ITAM sequences in the cytoplasmic domains of IgE and B cell receptors, respectively. 28 By comparing the ZAP-70 and SYK sequences, 33 most of the residues in ZAP-NC that contact pTyr 15 are conserved in the corresponding positions in SYK. The N-terminal SH2 domain of SYK does not bind to phosphotyrosine ligands or to phosphotyrosine affinity columns, 34 which suggests that, as in ZAP-NC, this phosphotyrosine site also requires the C-terminal SH2 domain in order to form a complete pocket. Doubly-phosphorylated peptides derived from the γ ITAM of the IgE receptor induce SYK activation. 30 Our complex of ZAP-NC with ζ*| may therefore represent the conformation of the SH2 domains adopted in the activated kinase. ZAP-70 has emerged as an attractive target for the development of safe and potent immunosuppressive drugs. ZAP-70 has been shown to be required for T cell-mediated immune responses in humans, and loss of ZAP-70 does not affect other tissues. 8 Thus, ZAP antagonists would specifically inhibit T cells and avoid the toxicity of the currently used immunosuppressive drugs, FK506 and cyclosporin 35 ' 36 , which target the more ubiquitously expressed protein calcineurin. 37 ' 38 This protein phosphatase is required for T cell immune responses, as well as functions in several other tissues, and as a consequence, cyclosporin and FK506 cause serious side effects in the kidney and central nervous system which limit their application largely to pateients with organ transplant rejection. 36 New immunosuppressive drugs with less toxicity are needed to expand the routine use of such therapies to autoimmune diseases. One approach to inhibition of T cell activation is to develop small (i.e., preferably having a molecular weight below about 1200, more preferably below about 750 and even more preferably below about 500), preferably non-peptidic, membrane permeant, molecules that bind to ZAP and prevent its association with the TCR. Such a compound may bind, preferably with high affinity, to either SH2 domain of ZAP-70 or to the inter-SH2 domain interaction. Our crystal structure reveals the molecular details of the three dimensional structure of ZAP and provides insights into its interactions with the TCR. The unique structural features of each SH2 ligand binding site and the unanticipated inter-SH2 association now can be exploited for structure-based design of highly specific small molecule ZAP ligands and structurally biased compound libraries. D . Use of three-dimensional Structure of ZAP-NC in solving the structures of other tandem SH2 proteins Having solved the ZAP-NC structure we contemplate that other proteins containing two SH2 domains, especially ZAP family members, will have this unique binding pocket formed by interdomain association and that it can be exploited for the design of interfering compounds. The - 33 - protein currently considered to be most closely related to ZAP is SYK. (see figure of sequence alignment). Using the structure of ZAP-NC, a three-dimensional model of Syk-NC can be obtained through homology modeling. Prior to solving the ZAP-NC structure, this would have been difficult if not impossible since the sequence identity between the SH2 domains of Syk and SH2 domains of known structure is low and none of the previously solved SH2 domains contain two SH2 domains. Other currently known proteins with tandem SH2 domains are PLCγ, PI3K, rasGAP, SH-PTP1 , and SH-PTP2. Additional proteins with two SH2 domains are expected to be discovered through genome sequencing or other cloning methods. E. Use of Structure in Drug Discovery Utilization of the structure of the tandem SH2 domains of ZAP-70 in computer- aided drug design (CADD) The availability of the three-dimensional structure of the tandem SH2 domains of the protein tyrosine kinase ZAP-70 (ZAP-NC) makes structure-based drug discovery approaches possible. Structure-based approaches include de Novo molecular design, computer-aided optimization of lead molecules, and computer-based selection of candidate drug structures based on structural criteria. New peptidomimetic modules may be developed directly from the structure of the peptide ligand by design or database searches for conformationally-restricted peptide replacements. Alternatively, structure-based lead discovery may be accomplished using the target protein structure stripped of its ligand. Multiple uncomplexed states of ZAP-NC can be generated by several methods to provide additional target conformations. The experimental coordinates and the resulting uncomplexed models can be subjected to techniques such as receptor site mapping to identify sites of favorable interaction energies between the structure of the target protein and potential ligands or chemical moieties ("fragments" or "seeds"). Such evaluation may be followed by procedures such as fragment seed linking and growth. Fragment seed linking refers to methods for designing structures that contain "linked" "seeds", i.e. chemical structures comprising two or more of the mapped moieties appropriately spaced to reach the respective sites of favorable interactions. Growth refers to the design of structures which extend, based on receptor site mappping or to fill available space, a given molecule or moiety. Based on the receptor site mapping data, one may also select potential ligands from databases of chemical structures. Potential ligands, or suboptimal ligands, of whatever source, can be refined by using the receptor site maps to filter multiple ligand conformations and orientations according to energetic preferences. Finally, in view of the high degree of sequence similarity to the tandem SH2 domains of p72 s y^, the structure of ZAP-NC permits one to generate a high-quality model of Syk-NC by either knowledge-based homology template methods or iterative site-mutations followed by minimizations. The generated structure of Syk-NC may 34 - then be treated as an additional protein target by the methods outlined above. These methods and their application to ZAP-NC are described in the sections that follow. Peptidomimetics of the ζ-j peptide may be developed from the bound conformation of a peptide ligand by design, by searching databases for replacements of one or more peptide segments, or by enhancement of existing ligand-protein interactions (i.e., by replacing a component moiety of a ligand with a substitute moiety capable of greater interaction with the target protein, whether through accessible protein contact points or by extrusion of otherwise sequestered waters). Knowledge of the bound conformation of a peptide can suggest avenues for conformational restriction and peptide bond replacement. A less biased approach involves computer algorithms for searching databases of three dimensional structures to identify replacements for one or more portions of the peptide ligand, preferably non-peptidic replacement moieties. By this method, one can generate compounds for which the bioactive conformation is heavily populated, i.e., compounds which are based on particularly biologically relevant conformations of the peptide ligand. Algorithms for this purpose are implemented in programs such as Cast-3D (Chemical Abstracts Service), 3DB Unity (Tripos, Inc.), Quest-3D (Cambridge Crystallographic Data Center), and MACCS/ISIS-3D (Molecular Design Limited). These geometric searches can be augmented by steric searching, in which the size and shape requirements of the binding site are used to weed out hits that have prohibitive dimensions. Programs that may be used to synchronize the geometric and steric requirements in a search applied to ZAP-NC include CAVEAT (University of California, Berkeley), HOOK (MSI), and ALADDIN (Daylight Software). All of these searching protocols may be used in conjunction with existing corporate databases, the Cambridge Structural Database, or available chemical databases from chemical suppliers. In addition to the retention of potential pharmacophoric elements that are present in the peptide explicitly, the incorporation into a ligand structure of hydrogen-bond donating or accepting groups that can displace ordered water molecules usually provides a significant entropic gain that leads to a favorable free energy of binding. Such ordered waters are identifiable from the structure, and other ordered waters may be located during computer simulations of a fully solvated structure, as described more thoroughly in a subsequent section. Generation of altemate binding site conformations of the target protein may be desired in view of the flexibility of the phosphotyrosine binding region, the nature of the interface between the two SH2 domains, and overall, in view of the possibility of an induced fit, i.e., conformational changes in both ligand and protein upon binding. For example, the loop that connects β -strands B and C (the BC or phosphotyrosine binding loop) has been reported to act as a functional hinge in Src-family SH2 domains. In addition, charged residues in the phosphotyrosine binding pocket are capable of side chain reorientations. A variety of theoretical - 35 - methods, such as Metropolis Monte Carlo or molecular dynamics simulations (implemented in programs such as MCPro [Yale Univeristy], AMBER [UCSF], CHARMm [Harvard University], and GROMOS [ETH/Groningen]) may be used locally to generate Boltzmann distributions of uncomplexed states, and hence provide a set of additional conformations that are valid for molecular design. Alternate side chain reorientations can also be examined by Dead End Elimination and A * algorithms (University of Southhampton), by iterative systematic conformational searches of each side chain, or by comparison of each residue type to members of the Protein Data Bank that have the same backbone torsions. Valid conformations of the BC loop (or loops EF and BG) may be created by searching the Brookhaven Protein Data Bank for loops that have similar anchoring geometries or by imposing random backbone conformations within the selected loops and filtering the results to fit the anchor residues. Both of these knowledge-based methods generate initial structures which can be subjected to force-field minimizations to produce feasible geometries. In addition to the flexibility inherent to the peptide binding site, the interface between the two SH2 domains provides opportunities for exploring additional conformational states. The interface that is exclusive to the two SH2 domains provides a total buried surface area of only about 200 A 2 , and consists largely of hydrogen bonding contacts, many of which are mediated by water. Experiments with isoelectric focusing gels suggest that uncomplexed ZAP-NC exhibits conformational mobility between the two SH2 domains that is subdued upon binding to the ζ-| peptide. Since ZAP function requires that both SH2 domains associate simultaneously with a doubly-phosphorylated ITAM of the TCR, gross displacements between the two SH2 domains may play a regulatory role. Thus, conformations in which the SH2 domains are separated may represent an inactivated state, and inhibitors that stabilize this orientation become attractive. Molecular dynamics simulations of a fully solvated ZAP-NC may provide insight into the structural manifestation of a possible dissociation between the SH2 domains, and an additional target conformation of the uncomplexed protein. Receptor site mapping encompasses a variety of computational procedures that identify energetically favorable binding sites on macromolecules. The most straighforward procedures involve "painting" a solvent-accessible surface (or an otherwise generated cast) of the macromolecular target according to empirically determined physical properties, such as electrostatic or lipophilic potential, degree of curvature, and hydrogen-bonding character. Such methods for thus characterizing the surface of a macromolecule are incorporated in programs such as Grasp (Columbia University), DelPhi (Biosym Technologies), MOLCAD (Tripos, Inc.), and Hint (Virginia Commonwealth University). Subsequent molecule design involves identification or design of ligands that possess features complimentary to the identified surface characteristics. More advanced algorithms involve the actual calculation of interaction enthalpies between the target and potential ligands or fragments. In practice, the coordinates of - 36 - the protein or protein fragment of interest (which may be rotated or otherwise transformed) are stripped of any undesired ligand (or portion thereof) and/or of any undesired solvent molecules. The coordinates are then processed to attach molecular mechanics parameters to the atomic positions to provide a processed target for mapping. The target may be partitioned into discrete binding sites. The target or partitioned sites thereof are flooded with given functional group fragments that are subsequently allowed to relax into desired locations, as in the program MCSS (Molecular Simulations, Inc.), or are encased within a regular lattice of site points on which single fragment probes are positioned sequentially; examples of programs that exploit the site-lattice algorithm include Grin/Grid (Molecular Discovery, Ltd.), Ludi (Biosym Technologies), Leapfrog (Tripos, Inc.), and Legend (University of Tokyo). In both techniques, the enthalpic contribution to binding affinity is estimated with a molecular mechanics force- field, and appropriate positions of selected functional groups are determined systematically. In the site-lattice approach, a box is defined enclosing a desired portion of the target within a defined lattice. The lattice resolution, i.e., the distance between lattice points, may be defined by the practitioner or may be set by the computer program. Likewise, other parameters of points within the lattice, such as hydrophobicity or other characteristics, may be similarly defined. Probes (i.e. computer models) of one or more selected moieties, functional groups, molecules or molecular fragments are positioned at lattice points and the interaction energy of the probe- target pair is determined for each such lattice point. The data for each selected moiety, functional group, etc. is collected and may be recovered as a data set, visualized on a computer monitor or printed out in various text or graphic formats. As an alternative to positioning a moiety at each of a set of lattice points, one may, as previously mentioned, flood the target (defined by the coordinates as described above) with multiple copies of a selected fragment, moiety, molecule, etc. by superimposing the multiple copies into the vicinity of the protein target. The model is then subjected to group minimization (i.e., molecular mechanics minimization) calculations to identify points or areas of favorable interaction. Data may be handled as in the lattice approach. One application of this method to the structure of ZAP-NC involves the crystal structure coordinates stripped of both the peptide ligand (ζ-|) and experimentally observed water molecules. The binding site so revealed comprises all protein residues that reside within van der Waals distance of any position previously occupied by the peptide. This "conventional" binding site is enlarged to include the bulk of the proximal protein surface, hence additional crevices and depressions not occupied by known ligands for any SH2 domains are considered as potential "auxiliary" binding regions, and their occupation could contribute significantly to the inhibition of ZAP association with the T cell receptor. Similar definition of the binding face of ZAP-NC applies to any altemate coordinates derived experimentally or via the modeling - 37 - procedures described above. Receptor site mapping, as well as other methods described herein, may be applied to the 3-D structure of a ZAP family member to design or select ligands capable of binding to an SH2 domain or other site within the ZAP-NC (or ZAP family-NC) structure. Receptor site maps provide the seeds for ligand evolution via Database searches, which are described above, and for Grow/link methods for de Novo design of new chemical entities. Programs for ligand growth first access extensible fragment dictionaries in order to place appropriate functional groups at site points. A genetic algorithm or a subgraph isomorphism protocol is then invoked to connect the fragments with small aliphatic chains or rings. Stochastic enhancements may be introduced by modification of internal degrees of freedom as well as translation and rotation of the candidate model within the binding cavity. The resulting sets of molecules are scored and filtered by functions that consider the steric constraints of the binding site, the complimentarity of electrostatic and hydrophobic interactions, and a solvation estimate. Programs of this type that couid be applied for the design of new ligands for ZAP-NC include Ludi (Biosym Technologies), Leapfrog (Tripos, Inc.), Legend (University of Tokyo), Grow (Upjohn), Builder/Delegate (University of California, San Francisco), and Sprout (University of Leeds). Clique detection methods provide an alternative strategy to site mapping and ligand growth. DOCK (University of California, San Francisco) and similar programs fill a given binding site with the smallest set of atom-sized spheres possible; a database search then attempts to orient ligands such that the atoms superimpose onto the centers (or "nuclei") of the site-filling spheres. The shape complimentarity is augmented by scoring functions that include the steric requirements of the cavity and a potential energy function. Optimization of ligands (from any source) may be enhanced using the three dimensional structural of ZAP-NC. Use of receptor site maps or hydropathic profiles of ZAP-NC may be used to identify preferred positions for functional group components of ligands. and can be used to filter or constrain conformational searches of ligand structures which would otherwise typically be controlled by minimal steric considerations of the iigand structures themselves. The availability of an explicit binding site also permits one to determine the mode of ligand binding to the target protein via methods that utilize force-fields directly in simulated annealing, distance geometry, Metropolis Monte Carlo, or stochastic searches for binding modes. Examples of programs that can be applied to rationalize ligand binding to ZAP-NC include Autodock (Scripps Clinic), DGEOM (QCPE #590), Sculpt (Interactive Simulations, Inc.), or any of the molecular dynamics programs described above. Once a tractable set of possible binding orientations is obtained, one can readily identify the appropriate mode of binding through modifications in test ligands designed to alter in a predictable fashion the binding affinity of each model under consideration. For instance, a ligand may be modified to contain a functional group at a position which is inconsistent with one binding model, yet consistent with another model. Binding data can then be used to weed out "disproven" models. Once iterative - 38 - weeding of unlikely binding modes generates an appropriate model, possibilities for improvement of the lead become readily apparent from the local protein environment. An alternative protocol for ligand optimization involves 3D database searching in conjunction with knowledge of the binding site. Modeling can reveal multiple candidates for the bioactive conformation of a given ligand. A probe for the correct conformation can include a 3D search to identify several constrained mimics of each possible conformer. Structure-activity relationships of the unconstrained ligand would suggest which functional groups should be retained in the constrained mimics. Finally, the steric and electrostatic requirements of the binding site could constitute a filter for prioritizing the resultant possibilities. The structure of ZAP-NC permits accurate model-building of homologous proteins, and their subsequent use in drug design. The SH2 domains and inter-domain coiled coil regions of the protein tyrosine kinase p72 s >* share a high degree of sequence similarity with ZAP-70. The ZAP-NC structure may be readily used in the development of a reliable model of Syk-NC by either knowlege-based template building methods, or by iterations of directed point mutations followed by local molecular mechanics minimizations. Examples of programs that can be applied in the development of a model of Syk-NC include Composer (Birbeck College), Modeler (MSI), and Homology (Biosym Technologies). The resultant model can then be subjected to any of the CADD techniques described above. F. Characterization of Compounds Compounds designed, selected and/or optimized by methods described above may be evaluated for binding activity with respect to proteins containing one or more SH2 domains of interest using various approaches, a number of which are well known in the art. For instance, compounds may be evaluated for activity as competitive inhibitors of the binding of an SH2 domain with a phosphorylated ligand thereto. See e.g. Pawson, US Patent No. 5,352,660 (4 October 1994). Surface plasmon resonance (SPR) technology may be used for evaluating the binding properties of compounds with respect to one or more SH2 domains of interest (see e.g., Panayotou et al, 1993, Molecular and Cellular Biology 13: 3567-3576), as can fluorescence proximity methods, and other methods known in the art. SPR methodologies measure the interaction between two or more macromolecules in real-time through the generation of a quantum-mechanical surface plasmon. The SPR methodology as exploited by the BIAcore Biosensor ® (Pharmacia Biosensor, Piscatawy, NJ) focuses a beam of polychromatic light at the interface between a gold film (provided as a disposable biosensor "chip") and a buffer compartment that can be regulated by the user. Attached to the gold film is a 100 nm thick "hydrogel" composed of carboxylated dextran which provides a matrix for the - 39 - covalent immobilization of analytes of interest. When the focused light interacts with the free electron cloud of the gold film, plasmon resonance is enhanced. The resulting reflected light is spectrally depleted in wavelengths that optimally evolved the resonance. By separating the reflected polychromatic light into its component wavelengths (by means of a prism), and determining the frequencies which are depleted, the BIAcore establishes an optical interface which accurately reports the behavior of the generated surface plasmon resonance. When designed as above, the plasmon resonance — and thus the depletion spectrum — is exquisitely sensitive to mass in the evanescent field (which corresponds roughly to the thickness of the hydrogel). If one component of an interacting pair is immobilized to the hydrogel, and the interacting partner is provided through the buffer compartment, the interaction between the two components can be measured in real time based on the accumulation of mass in the evanescent field and its corresponding effects of the plasmon resonance as measured by the depletion spectrum. This system permits rapid and exremely sensitive real-time measurement of the molecular interactions without the need to label either component. Fluorescence polarization (FP) is a measurement technique that can readily be applied to protein-protein and protein-iigand interactions in order to derive IC50s and K-js of the association reaction between two molecules. In this technique one of the molecules of interest must be conjugated with a fluorophore: this is generally the smaller molecule in the system (in the case of a SH2 system, a phospho-tyrosine-containing peptide). The sample mixture, containing both the iigand-probe conjugate and the protein receptor, is excited with vertically polarized light. Light is absorbed by the probe fluorophores, and re-emitted a short time later. The degree of polarization of the emitted light is measured. Polarization of the emitted light is dependent on several factors, but most importantly on viscosity of the solution and on the apparent molecular weight of the fluorophore. With proper controls, changes in the degree of polarization of the emitted light depends only on changes in the apparent molecular weight of the fluorophore, which in-turn depends on whether the probe-iigand conjugate is free in solution, or is bound to a protein receptor. Binding assays based on FP have a number of important advantages. Key among these are the measurement of IC50s and Kds under true homogenous equilibrium conditions, speed of analysis and amenity to automation, and ability to screen in cloudy suspensions and colored solutions. Automation of such an FP-based assay is achieved using a 96-well fluorescence polarization plate reader. This reader can read polarization values at a sensitivity level of 1 nM for fluorescein-labeied molecules, and can read an individual plate in 3 minutes. - 40 Fluorescence polarization equilibrium binding assays have been adapted for ZAP, Syk, and Src domains. A binding curve of a doubly-phosphorylated ζ-1 sequence to N.C-ZAP, with associated Scatchard plot of the data is shown in FIG. 5. It will often be preferred that a compound preferentially inhibits the interaction of a particular SH2-containing protein with its natural ligand (or a portion thereof or analog based thereon), e.g. at least an order of magnitude, and even more preferably, at least two orders of magnitude better (by any measure) than it inhibits some other SH2-ligand interaction. Such compounds may be further evaluated for activity in inhibiting cellular or other biological events mediated by a pathway involving the interaction of interest using a suitable cell-based assay or an animal model. Cell-based assays and animal models suitable for evaluating inhibitory actvity of a compound with respect to a wide variety of cellular and other biological events are known in the art. New assays and models are regularly developed and reported in the scientific literature. For example, compounds which bind to ZAP-70 may be evaluated for biological activity in inhibiting T ceil activation using any conventional assay methods and materials. Thus, compounds which bind to ZAP may be assayed for inhibition of CD4+ and CD8+ T-lymphocytes in vitro and for lack of in vitro toxicity on cytotoxic T-cells within the dose range used to demonstrate in vitro activity. A battery of in vivo models may be used to profile the breadth of the compound's immunosuppressive activity and compare the profile to those of positive controls such as cyclosporin and FK506. Comparisons may also be made to other currently accepted immunosuppressive compounds, i.e. rapamycin, cyclophosphamide, and leflunomide. Initial in vivo screening models include: Delayed type hypersensitivity testing, Allogeneic skin transplantation, and Popliteal lymph node hyperplasia. Compounds demonstrating optimal profiles in the above models are advanced into more sophisticated models designed to confirm immunosuppressive activity in specific therapeutic areas including: Rheumatoid arthritis, Transplantation, Graft vs. host disease, and Asthma. Compounds which bind to SYK may be evaluated for inhibitory activity in a mast cell or basophil degranulation assay. The inhibitory activity of a compound of this invention with respect to cellular release of specific mediators such as histamine, ieukotrienes, hormonal mediators and/or cytokines as well as its biological activity with respect to the levels of phosphatidylinositol hydrolysis or tyrosine phosphorylation can be characterized with conventional in vitro assays as an indication of biological activity. (See e.g."lgE-induced histamine release from rat basophilic leukemia cell lines: isolation of releasing and nonreleasing clones". Edward L. Barsumian, Chaviva Isersky, Marianne G. Petrino and Reuben P. Siraganian. Eur. J. immunol. 1981. 1 1 :317-323; Forrest, MJ, 1991 , Biochemical - 41 - Pharmacology 42:1221 -1228 (measuring N-acetyl-β glucosaminadase from activated netrophils); and Stephan, V.M., et al.. J. Biol. Chem. 267:5434-5441 (1992)). For example, histamine release can be measured by a radioimmunoassay using a kit available from AMAC Inc. (Westbrook, ME). One can thus evaluate the biological activity of compounds which bind to SYK and compare them to one another and to known active compounds such as leflunomide (and its active metabolite, A771726), vanadate, staurosporine, genistein, or other compounds, including clinically relevant compounds, which can be used as positive controls. Generally speaking, in such assays IC50 scores of 150-300 μM are considered of interest, scores of 50-150 μM are considered good, and scores below about 50 μM are of high interest. Compounds which bind to SYK may also be tested in an ex vivo assay for their ability to block antigen-stimuiated contraction of sensitized guinea pig tracheal strip tissue. Activity in this assay has been shown to be useful in predicting the efficacy of potential anti-asthma drugs. Numerous animal models of asthma have been developed and can be used (for reviews, see Larson, "Experimental Models of Reversible Airway Obstruction", in THE LUNG, Scientific Foundations, Crystal, West ei aL (eds.), Raven Press, New York, pp. 953-965 (1991); Warner el a 1990, Am. Rev. Respir. Dis. 141 :253-257). Species used in animal models of asthma include mice, rats, guinea pigs, rabbits, dogs, sheep and primates. Other in vivo models available are described in Cross et al.. Lab Invest. 63:162-170 (1990)); and Koh, et aL. Science. 256:1210-1213 (1992)). By way of further illustration, compounds which bind to an SH2-bearing protein involved in the transduction of a signal involved in the initiation, maintenance or spread of cancerous growth may be evaluated in relevant conventional in vitro and in vivo assays. See e.g., Ishii et al., J. Antibiot. XLIM 877-1878 (1989) (in vitro evaluation of cytotoxic/antitumor activity); Sun et al, US Patent 5,206,249 (issued 27 April 1993)(in vitro evaluation of growth inhibitory activity on cultured leukemia cells); and Sun et al, supra (xenograft models using various human tumor cell lines xenografted into mice, as well as various transgenic animal models). Single and multiple (e.g., 5 to 7 days) dose investigative toxicology studies are typically performed in the efficacy test species using the intended route of administration for the efficacy study. These investigative toxicology studies are performed to identify maximum tolerated dose, subjective bioavailability from the intraperitoneal or oral routes of administration , and estimation of an initial safety margin, initial bioavailability and pharmacokinetics (blood clearance) of the compounds may be determined, with standard cold or radioactive assay methods, to assist in defining appropriate dosing regimens for the compounds in the animal models. - 42 - Illustration of drug design To illustrate one approach to using the structure of a ZAP family member in drug design, we used the structural coordinates of the ZAP-NC: ζ1 complex (see e.g. Appendix I) to characterize amino acid residues of interest with respect to their capability for interaction with iigand molecules. For instance, using the program Sybyl we identified amino acid residues from the N- terminal SH2 domain and C-terminal SH2 domains which are within 10 angstroms of the ζ-1 peptide ligand and which reside on the protein surface. Residues from that region which are capable of entering hydrophobic interactions with moieties on ligand molecules are listed in Table A. Acidic residues from that region which are capable of entering hydrogen-bonding interactions or ionic (sait-bridge) interactions with moieties on ligand molecules are listed in Table B. Basic residues from that region which are capable of entering hydrogen-bonding interactions or ionic (salt-bridge) interactions with moieties on ligand molecules are listed in Table C. Neutral residues from that region which are capable of entering hydrogen-bonding interactions with moieties on ligand molecules are listed in Table D. Residues from that region having appropriately disposed backbone amide carbonyls which are capable of entering hydrogen-bond accepting interactions with moieties on ligand molecules are listed in Table E. Residues from that region having appropriately disposed backbone amide nitrogens which are capable of entering hydrogen-bond donating interactions with moieties on iigand molecules are listed in Table F. Table A Table B Table C Table D Table E Table F ALA18 GLU19 ARG17 SER14 PHE56 ARG17 LEU40 GLU21 ARG37 SER16 HIS58 LEU40 VAL47 GLU62 ARG41 GLN38 ALA72 HIS58 LEU48 ASP90 HIS52 CYS39 GLY73 CYS96 LEU50 ASP92 ARG55 SER42 ASP92 ARG 170 PHE56 GLU171 HIS57 TYR87 GLY93 LYS 193 PHE59 GLU 172 HIS58 THR169 LEU168 GLU194 PRO60 GLU174 LYS75 TYR 178 PR0191 HIS210 ILE61 GLU194 ARG170 SER201 TYR198 LEU212 ILE71 GLU225 ARG190 TYR204 VAL208 GLU225 ALA72 GLU237 ARG 192 THR207 HIS210 LYS228 PHE86 ASP244 LYS193 TYR209 PR0224 LEU241 TYR87 HIS210 TYR211 GLU225 ALA243 PR091 LYS228 SER214 GLY226 GLY245 LEU94 LYS242 CYS222 LYS228 ILE247 PR095 LYS251 THR227 ASP244 CYS249 TYR178 TYR238 GLY245 LYS193 CYS249 LEU246 ALA199 LEU200 TYR204 VAL208 TYR209 TYR21 1 LEU212 LEU223 PR0224 - 43 LYS228 PHE229 LEU235 TYR238 LEU239 LEU241 LYS242 ALA243 LEU246 I LE247 TYR248 LEU250 Similarly, we have identified amino acid residues from the C-terminal domain and the N- terminal domain which reside at the interface between these two domains which would be capable of interacting with ligand molecules in such a manner as to disrupt the juxtapositioning of domains necessary for binding ZAP-70 to the phosphorylated T-cell receptor. Residues from that region which are capable of entering hydrophobic interactions with moieties on ligand molecules are listed in Table G. Acidic residues from that region which are capable of entering hydrogen-bonding interactions or ionic (salt-bridge) interactions with moieties on iigand molecules are listed in Table H. Basic residues from that region which are capable of entering hydrogen-bonding interactions or ionic (salt-bridge) interactions with moieties on ligand molecules are listed in Table I. Neutral residues from that region which are capable of entering hydrogen-bonding interactions with moieties on ligand molecules are listed in Table J. Table G Table H Table I Table J ILE15 GLU62 LYS220 SER14 LEU40 ASP230 LYS242 SER15 LEU43 GLU237 GLN38 MET161 GLU244 SER42 LYS220 THR231 PHE229 GLN234 TRP233 TYR238 TYR238 LEU241 LYS242 Similarly, we have identified amino acid residues from the interdomain (also called spacer A) region which reside at the interface between the two α-helical coils of this region and which would be capable of interacting with ligand molecules in such a manner as to disrupt the observed folding of the NC-ZAP domain. Residues from that region which are capable of entering hydrophobic interactions with moieties on ligand molecules are listed in Table K. Acidic residues from that region which are capable of entering hydrogen-bonding interactions or ionic (salt-bridge) interactions with moieties on ligand molecules are listed in Table L. Basic residues from that region which are capable of entering hydrogen-bonding interactions or ionic (salt-bridge) interactions with moieties on ligand molecules are listed in Table M. 44 Neutral residues from that region which are capable of entering hydrogen-bonding interactions with moieties on ligand molecules are listed in Table N. Table K Table L Table M Table N ILE142 GLU134 ARG119 GLN145 ILE153 GLU150 ARG124 THR156 LEU133 ARG160 TYR126 LEU138 LEU152 MET122 PHE1 15 TRP131 TYR126 VAL1 14 VAL123 VAL127 VAL149 The amino acid residues listed in Tables A-N can be used to define binding sites on the ZAP-70 protein for moieties on ligand molecules. A binding site comprises any subset of the foregoing residues which are within about 10 angstroms of one another. For example, the residues CYS39, ARG41 , SER42, PRO60, GLU62, LYS220, and ASP230 comprise such a binding site. We contemplate a new class of ligands for ZAP family members based on the foregoing type of evaluation. Specifically, this class comprises compounds containing one or more moieties which are each capable of interacting with one or more of the foregoing residues, preferably with one or more binding sites defined by the foregoing residues. A subset of such compounds are those which contain at least two moieties, of which at least one is a substituted or unsubstituted phosphate or phosphate mimic (e.g., a substituted or unsubstituted phosphonate moiety). In embodiments in which those moieties are substituted, the substituent may be alkyl, aryl, or arylalkyl . The term alkyl is intended to include both saturated and unsaturated straight chain, branched, cyclic, or polycyclic aliphatic hydrocarbons which may contain oxygen, sulfur, or nitrogen in place of one or more carbon atoms, and which are optionally substituted with one or more functional groups selected from the group consisting of hydroxy, C-| -C8 alkoxy, acyloxy, carbamoyl, amino, N-acylamino, ketone, halogen, cyano, carboxyl, and aryl. Alkyl groups are preferably Iower alkyl, i.e. containing 1 to 8 carbon atoms. The term aryl is intended to include stable cyclic, heterocyclic, polycyclic, and polyheterocyciic unsaturated C3-C-14 moieties, exemplified but not limited to phenyl, biphenyl, naphthyl, pyridyl, furyl, thiophenyl, imidazoyl, pyrimidinyl, and oxazoyl; which may further be substituted with one to five members selected from the group consisting of hydroxy, C-j -Cβ alkoxy, C-| -C8 branched or straight-chain alkyl, acyloxy, carbamoyl, amino, 45 N-acylamino, nitro, halogen, trifluoromethyl, cyano, and carboxyl (see e.g. Katritzky, Handbook of Heterocyclic Chemistry). The ligands may contain one or more amide bonds, but are preferably non-peptidic. Preferably the molecular weight of the ligands is under 1200, more preferably under 750, more preferably under 500. Peptides and peptidic molecules comprise two or more naturally occurring α-amino acids linked by peptide bonds (primary amide bonds, except where the amino acid is proline). The ability of a ligand or a moiety on a iigand to interact with a particular residue or set of residues in a binding site may be determined by noting the proximity of a ligand moiety to a residue of interest. Proximity may be determined by physical methods such as x-ray crystallography or NMR evaluation of a co-complex of the protein and ligand, or may be determined through modeling studies in which the structure of the ligand is docked with the structure of the protein using programs such as described above. A number of commercially available programs are capable of conveniently evaluating a modeled or experimentally determined structure and identifying atoms involved in hydrogen-bonding or hydrophobic interactions. Generally, hydrogen bonding (which includes salt bridge and other ionic interactions) occurs across distances of about 2.8 - 3.5 angstroms, more usually up to about 3.2 angstroms, and through donor-H-acceptor angles of about 180° ± 60°. Hydrophobic interactions occur accross distances of up to about 5 angstroms, more preferably up to about 4.5 angstroms and more frequently up to about 4 angstroms, depending on the nature of the atoms involved. Again, any of a number of commercially available computer programs may be used to identify hydrogen bonding and hydrophobic interactions between ligand moieties and protein atoms. G. Pharmaceutical Compositions and Uses of Inhibitors of ZAP family members Compounds which bind to one or more ZAP famiiy members may be used as biological reagents in binding assays as described herein for functional classification of an SH2-bearing protein, particularly a newly discovered protein, based on ligand specificity. Moreover, compounds identified as described above can be used to inhibit the occurrence of biological events resulting from molecular interactions mediated by a ZAP famiiy protein containing one or more SH2 domains. This invention thus provides a method and materials for inhibiting (totally or partially) the interaction between such a protein and a natural ligand thereto (i.e., a naturally occurring protein (typically), or a portion or analog thereof, which binds in a cell to the ZAP family protein) or a biological activity mediated by such interaction. - 46 - In this method, a compound identified or obtained as described herein is combined or contacted with the ZAP family protein, such as by introducing the compound into a cell in which the molecular interaction is to be inhibited. Following introduction of the compound, the interaction of the ZAP family protein and its natural iigand is inhibited as may be readily detected. Inhibiting such interactions can be useful in research aimed at better understanding the biology of SH2-mediated events. In general, inhibitors of SH2-mediated interactions would be useful, for example, in the diagnosis, prevention or treatment of conditions or diseases resulting from a cellular processes mediated by the interaction of SH2 bearing protein with a natural ligand therefor. For example, a patient can be treated to prevent the occurence or progression of osteoporosis or to reverse its course by administering to the patient in need thereof an SH2 binding or blocking agent which selectively binds Src SH2. There are many other conditions for which SH2 binding or blocking agents may be useful therapeutically, including breast cancer where the SH2 domain-containing proteins Src, PLCg and Grb7 have been implicated. Other relevant conditions include prostate cancer, in which case targeting Grb2, PLCg, and PI3K, ail of which contain SH2 domains, may be useful in treatment or prevention of the disease. Inhibition of the interaction of Grb2 or Abl SH2 domains with Bcr-abl may be useful to treat chronic mylogenous leukemia (CML) or acute myelogenous leukemia (AML). Still other relevant applications of an SH2 inhibitor would be to prevent interferon-, growth factor-, or cytokine-mediated diseases (e.g. inflammatory diseases) by targeting the SH2 domains of STAT proteins. Of particular interest are agents that block the interaction of ZAP family members with their natural ligands. For instance, inhibitors of interactions involving ZAP-70, which is believed to be involved in activation of T-cells, would be useful as an immunosuppressant in the treatment and prevention of autoimmune diseases and to prevent rejection of skin and organ transplants. Inhibitors of interactions of SYK with natural ligands would be useful in the treatment and prevention of asthma and untoward allergic reactions. An inhibitor selected or identified in accordance with this invention can be formulated into a pharmaceutical composition containing a pharmaceutically acceptable carrier and/or other excipient(s) using conventional materials and means. Such a composition can be administered to an animal, either human or non-human, for therapy of a disease or condition resulting from cellular events involving a molecular interaction mediated by a ZAP famiiy protein. Administration of such composition may be by any conventional route (parenteral, oral, inhalation, and the like) using appropriate formulations as are well known in this art. The inhibitor of this invention can be employed in admixture with conventional excipients, ie, pharmaceutically acceptable organic or inorganic carrier substances suitable for parenteral administration. - 47 - Pharmaceutical applications By virtue of its capacity to inhibit protein-protein interactions required for cellular events of pharmacologic importance, a compound identified as described herein may be used in pharmaceutical compositions and methods for treatment or prevention of various diseases and disorders in a mammal in need thereof. Mammals include rodents such as mice, rats and guinea pigs as well as dogs, cats, horses, cattle, sheep, non-human primates and humans. The preferred method of such treatment or prevention is by administering to a mammal an effective amount of the compound to prevent, alleviate or cure said disease or disorder. Such effective amounts can be readily determined by evaluating the compounds of this invention in conventional assays well-known in the art, including assays described herein. Therapeutic/Prophylactic Administration & Pharmaceutical Compositions The invention provides methods of treating, preventing and/or alleviating the symptoms and/or severity of a disease or disorder referred to above by administration to a subject of a in an amount effective therefor. The subject will be an animal, including but not limited to animals such as cows, pigs, chickens, etc., and is preferably a mammal, and most preferably human. Various delivery systems are known and can be used to administer the inhibitor, e.g., encapsulation in liposomes, microparticles, microcapsules, etc. One mode of delivery of interest is via pulmonary administration, as detailed more fully infra. Other methods of introduction include but are not limited to intradermal, intramuscular, intraperitoneal, intravenous, subcutaneous, intranasal, epidural and oral routes. The inhibitor may be administered by any convenient route, for example by infusion or bolus injection, by absorption through epithelial or mucocutaneous linings (e.g., oral mucosa, rectal and intestinal mucosa, etc.) and may be administered together with other biologically active agents. Administration can be systemic or local. For treatment or prophylaxis of nasal, bronchial or pulmonary conditions, preferred routes of administration are oral, nasal or via a bronchial aerosol or nebulizer. In specific embodiments, it may thus be desirable to administer the inhibitor locally to the area in need of treatment: this may be achieved by, for example, and not by way of limitation, local infusion during surgery, topical application, by injection, by means of a catheter, by means of a suppository, or by means of a skin patch or implant, said implant being of a porous, non¬ porous, or gelatinous material, including membranes, such as sialastic membranes, or fibers. 48 - This invention also provides pharmaceutical compositions. Such compositions comprise a therapeutically (or prophylactically) effective amount of the inhibitor, and a pharmaceut¬ ically acceptable carrier or excipient. Such a carrier includes but is not limited to saline, buffered saline, dextrose, water, glycerol, ethanol, and combinations thereof. The carrier and composition can be sterile. The formulation should suit the mode of administration. The composition, if desired, can also contain minor amounts of wetting or emulsifying agents, or pH buffering agents. The composition can be a liquid solution, suspension, emulsion, tablet, pill, capsule, sustained release formulation, or powder. The composition can be formulated as a suppository, with traditional binders and carriers such as triglycerides. Oral formulation can include standard carriers such as pharmaceutical grades of mannitol, lactose, starch, magnesium stearate, sodium saccharine, cellulose, magnesium carbonate, etc. In a specific embodiment, the composition is formulated in accordance with routine procedures as a pharmaceutical composition adapted for intravenous administration to human beings. Typically, compositions for intravenous administration are solutions in sterile isotonic aqueous buffer. Where necessary, the composition may also include a solubilizing agent and a local anesthetic to ease pain at the side of the injection. Generally, the ingredients are supplied either separately or mixed together in unit dosage form, for example, as a lyophilized powder or water free concentrate in a hermetically sealed container such as an ampoule or sachette indicating the quantity of active agent. Where the composition is to be administered by infusion, it can be dispensed with an infusion bottle containing sterile pharmaceutical grade water or saline. Where the composition is administered by injection, an ampoule of sterile water for injection or saline can be provided so that the ingredients may be mixed prior to administration. Administration to an individual of an effective amount of the inhibitor can also be accomplished topically by administering the compound(s) directly to the affected area of the skin of the individual. For this purpose, the inhibitor is administered or applied in a composition including a pharmacologically acceptable topical carrier, such as a gel, an ointment, a lotion, or a cream, which includes, without limitation, such carriers as water, glycerol, alcohol, propylene glycol, fatty alcohols, triglycerides, fatty acid esters, or mineral oils. Other topical carriers include liquid petroleum, isopropyl palmitate, polyethylene glycol, ethanol (95%), polyoxyethylene monolaurate (5%) in water, or sodium lauryl sulfate (5%) in water. Other materials such as anti-oxidants, humectants, viscosity stabilizers, and similar agents may be added as necessary. 49 In addition, in certain instances, it is expected that the inhibitor may be disposed within devices placed upon, in, or under the skin. Such devices include patches, implants, and injections which release the compound into the skin, by either passive or active release mechanisms. Materials and methods for producing the various formulations are well known in the art [see e.g. US Patent Nos. 5,182,293 and 4,837,311 (tablets, capsules and other oral formulations as well as intravenous formulations)]. The effective dose of the inhibitor will typically be in the range of about 0.01 to about 50 mg/kgs, preferably about 0.1 to about 10 mg/kg of mammalian body weight, administered in single or multiple doses. Generally, the inhibitor may be administered to patients in need of such treatment in a daily dose range of about 1 to about 2000 mg per patient. The amount of the inhibitor which will be effective in the treatment or prevention of a particular disorder or condition will depend on the nature of the disorder or condition, and can be determined by standard clinical techniques. In addition, in vitro or in vivo assays may optionally be employed to help identify optimal dosage ranges. Effective doses may be extrapolated from dose-response curves derived from in vitro or animal model test systems. The precise dosage level of the inhibitor, as the active component(s), should be determined as in the case of all pharmaceutical treatments, by the attending physician or other health care provider and will depend upon well known factors, including route of administration, and the age, body weight, sex and general health of the individual; the nature, severity and clinical stage of the disease; and the use (or not) of concomitant therapies. The invention also provides a pharmaceutical pack or kit comprising one or more containers filled with one or more of the ingredients of the pharmaceutical compositions of the invention. Optionally associated with such container(s) can be a notice in the form prescribed by a governmental agency regulating the manufacture, use or sale of pharmaceutical or biological products, which notice reflects approval by the agency of manufacture, use or sale for human administration. Pulmonary Administration In one embodiment of this invention, the inhibitor is administered by pulmonary administration, e.g. via aerosolization. This route of administration may be particularly useful for treatment or prophylaxis of bronchial or pulmonary infection or tumors. Pulmonary administration can be accomplished, for example, using any of various delivery devices known in the art (see e.g., Newman, S.P., 1984, in Aerosols and the Lung , Clarke and Davia (eds.), Butterworths, London, England, pp. 197-224; PCT Publication No. WO - 50 - 92/16192 dated October 1 , 1992; PCT Publication No. WO 91/08760 dated June 27, 1991 ; NTIS Patent Application 7-504-047 filed April 3, 1990 by Roosdorp and Crystal), including but not limited to nebulizers, metered dose inhalers, and powder inhalers. Various delivery devices are commercially available and can be employed, e.g., Ultravent nebulizer (Mallinckrodt, Inc., St. Louis, Missouri); Acorn II nebulizer (Marquest Medical Products, Englewood, Colorado), Ventolin metered dose inhaler (Glaxo Inc., Research Triangle Park, North Carolina); Spinhaler powder inhaler (Fisons Corp., Bedford, Massachusetts) or Turbohaier (Astra). Such devices typically entail the use of formulations suitable for dispensing from such a device, in which a propellant material may be present. Ultrasonic nebulizers tend to be more efficient than jet nebulizers in producing an aerosol of respirable size from a liquid (Smith and Spino, "Pharmacokinetics of Drugs in Cystic Fibrosis," Consensus Conference, Clinical Outcomes for Evaluation of New CF Therapies, Rockville, Maryland, December 10-1 1 , 1992, Cystic Fibrosis Foundation). A nebulizer may be used to produce aerosol particles, or any of various physiologically acceptable inert gases may be used as an aerosolizing agent. Other components such as physiologically acceptable surfactants (e.g., glycerides), excipients (e.g., lactose), carriers, and diluents may also be included. This invention is not to be limited in scope by the specific embodiments described herein. Indeed, various modifications of the invention in addition to those described herein will become apparent to those skilled in the art from the foregoing description. Such modifications are intended to fall within the the scope of the appended claims. Various patents, patent applications and publications are cited herein, the disclosures of which are incorporated by reference in their entireties. Experimental Examples I . Protein Preparation A. ZAP-NC: Expression, Purification and Complex Formation Cloning The ZAP-NC was expressed as a glutathione-S-transferase (GST) fusion protein. The DNA sequence encoding residues 1-259 from human ZAP 70 (A.C. Chan, M. Iwashima, C.W.Turck, A. Weiss Ce// 71 649-662 (1992)) was cloned into the pGex expression vector (D.B. Smith, K.S. Johnson Gene 67, 31-40 (1988))and transformed into E. coli BL21 or E. Coli B834. The - 51 - resulting construct coded for a thrombin cleavage site and two extra residues (G and S) at the N-terminus of the ZAP-NC. Expression In a typical preparation the ZAP-NC was produced by the growth and induction of two liters of culture (BL21) in BHI medium. The culture was grown at 25°C to an OD 595nm of 0.8 and induced with 1 mM IPTG for 5 hours. The selenomethionyl (SeMet) ZAP-NC was produced using the auxotrophic strain of E. coli 834 (D.J. Leahy, H.P. Erickson, I. Aukhil, P. Joshi, W. Hendrickson Proteins 19 48-54 (1994)) with the selenomethionine replacing the methionine in a defined media. The SeMet ZAP-NC was grown in 10 liters of defined media (J.O.Boies, W.H. Tolleson, J.C. Schmidt, R.B. Dunlap, J.D. Odom, J. Biol. Chem. 267, 22217-22223 (1992)) supplemented with 0.5% thiamine using 50mg/L of D,L selenomethionine. The culture was grown at 30°C to an OD 595nm of 0.8 and induced for 10-15 hours. Purification The GST fusion proteins were isolated using glutathione agarose and then cleaved with thrombin. ZAP-NC was separated from the GST by binding the tandem SH2 domain to a phosphotyrosine agarose column and eluting with a salt gradient. Subsequently the ZAP-NC was further purified by hydrophobic interaction chromatography on a phenyl sepharose column. The protein was stored under argon with 500mM NaCI and 10mM dithiothreitol at 4°C. A typical purification is listed below. Both the ZAP-NC and the SeMet ZAP-NC were judged to be >95% pure by N- terminal analysis and SDS gel electrophoresis. Mass spectrometric analysis of the ZAP-NC and SeMet ZAP-NC indicated >95% incorporation of the selenomethione. Complex preparation Complexes of the ZAP-NC plus the ζ 1 peptide (NQLpYNELNLGRREEpYDVLD) were prepared by adding a 2-fold excess of peptide to the protein and then running the sample on a gel filtration column. The peptide was dissolved in 200ul of 100mM Tris, pH 8.0. and added to 6mg of protein. The sample was incubated at room temperature for -30min, then filtered through a 0.2 micron filter. A Superdex 75 16/60 column was equilibrated in 20mM Tris containing 100mM NaCI and 5mM DTT, pH 8.0 and the sample was loaded and 3mL fractions were collected. The complex eluted at 65.6mL and peak fractions were pooled based on protein A(280). Analysis of complexation was done on a homogenous 20% native gel. - 52 - A typical Zap-NC Purification Cell Lysis: 1 ) Lysed ~20g cells using French pressure cell in 40mL of Buffer A: 2) Diluted 1 :1 with Buffer B 3) Centrifuged at -30,000 xg for 30min & removed the supernatant. Glutathione Column 2.6x10: 1 ) Loaded the supernatant onto a glutathione column equilibrated into Buffer B. 2) Washed with -lOOmLBuffer B then Buffer C to baseline. 3) Eluted in Buffer D; 5mL fractions were collected and pooled. Thrombin Cleavage: 1 ) Added 200mM NaCI to the pool, then added human thrombin at 1 ug/mg protein 2) Incubated on nutator at room temp. Samples were taken & run on an SDS gel while continuing to incubate. Reaction was complete at 40min. (PMSF can be added to stop the reaction.) 3) Diluted the pool x5 when cleavage was complete with 20mM Tris pH 8/5mM DTT. Phosphotyrosine Column: 26x7.5cm: 1 ) Loaded the pool onto the column equilibrated in Buffer E: 2) Washed& eluted using a 5 CV gradient to buffer F. 5mL fractions were collected. 3) Pooled peak. Phenyl Sepharose Column 26x17.5cm: 1) Diluted the pool 1 :1 with 3M (NH4)2S04 2) Equilibrated the column with Buffer G: 3) Loaded the protein, washed to baseline, then eluted in a 3 CV gradient to Buffer H: Pooled peak fractions. 4) Added 500mM NaCI to peak pool and 5mM DTT. Stored at 4°C under argon. Buffers Used: Glutathione Phosphotyrosine Phenyl Separose Buffer A Buffer E: Buffer G: PBS/0.5% Triton 20mM Tris pH 7.6 20mM Tris pH 8 400mM NaCI 50mM NaCI 1.5M (NH4)2S04 5mM DTT 5mM DTT 5mM DTT 1 mM Pefabloc Buffer F: Buffer H: Buffer B 20mM Tris pH 7.6 20mM Tris pH 8 PBS/0.5% Triton 2M NaCI 5mM DTT 53 5mM DTT 5mM DTT Buffer C PBS/ 5mM DTT Buffer D: 100mM Tris pH 8 100mM NaCI 20mM reduced glutathione 2mM DTT B . Syk-NC Cloning and Expression The DNA sequence encoding residues 6-265 of human Syk was cloned into the pET expression vector and transformed into E. coli BL21 (DE3) (Shiue, L., et al. Molecular and Cellular Biology 15, 272-281 (1995)) In a typical preparation Syk-NC was produced from the growth and induction of two liters of culture in BHI medium supplemented with 200ug/mL ampicillin. The culture was grown at 25°C to an OD at 595nm of 1-2, induced with 1mM IPTG, and harvested 4 hours later. Purification All operations were performed in a cold room at 4°. The ceils were lysed using a French pressure cell and 2X volumes of lysis buffer, 20mM Tris pH 8, 500mM NaCI, 5mM DTT, and 1 mM pefabloc. The supematant was collected by high speed centrifugation, diluted 2-fold with buffer A (20mM Tris pH 8, 5mM DTT) and applied to a 1.6x10 cm polyethyienimme anion exchange column equilibrated with the same buffer. The flow through was dialyzed overnight vs. buffer B (20mM Tris pH 7.4, 5mM DTT, 50mM NaCI) and then loaded onto a 50mL phosphotyrosine agarose column. The Syk-NC protein bound to the column and was eluted with a salt gradient, 50mM to 2M NaCI in 4 CV. The Syk-NC protein was collected and dialyzed into buffer C: 50mM Mes pH 6.2, 5mM CaCl2, 5mM DTT. After dialysis the protein sample was centrifuged at high speed and then applied to a Source 15S column ( 16x10cm) equilibrated in buffer C. The column was then washed with buffer C and eluted using a salt gradient, 0 to 750mM NaCI in 5 CVs. The peak fraction was pooled. SDS gel electrophoresis indicated that the protein was >95% pure. N-terminal sequencing and mass spec analysis confirmed the expected sequence. The protein concentration was determined by measuring the absorption at 280nm. The purified protein was stored at 4° with 10mM DTT. Svk-NC and peptide complexes Complexes have been made with a number of different γ and ζ peptides of different lengths. In a typical experiment, a two fold excess of peptide was dissolved in 10OmM Tris buffer and added to 10mg of Syk-NC. The sample was incubated at RT for 30 minutes, and then run on a Superdex - 54 - 75 column (16x60cm) equilibrated in 20mM Tris pH 8, 100mM NaCI, 10mM DTT. Three mL fractions were collected and the peak was pooled. C. Syk-C Experimental Cloning and expression The C-terminal SH2 domain of human Syk encoding residues 163-265 was cloned into the pGEX2TK expression vector and transformed into E. coli BL21 (DE3) (Shiue, L., et al. Molecular and Cellular Biology 15, 272-281 (1995); Law, C.L., et al. J. Biol. Chem. 269, 12310-12319 (1994)). Isotopically labeled glutathione-S-transferase (GST)-Syk-C was produced from the growth and induction of two liters of culture in M9 medium supplemented with 1g/L of 5 H4CI and/or 3g/L of 1 3 C glucose to obtain uniformly labeled Syk-C SH2. The fractionally labeled (-10%) 1 3 C Syk-C sample was prepared by supplementing the M9 medium with 4.15g/L of a mixture containing a 9:1 ratio of unlabeled glucose: 1 3 C glucose just prior to induction. In a typical preparation the culture was grown at 25°C to an optical density (OD) at 595nm of 1.0, induced with 1 mM isopropyl-b-D-thiogalactopyranoside (IPTG), and harvested 5 hours later. Cells were stored at -80°C until use. Purification The cells were lysed and the protein was affinity purified over glutathione agarose. The GST fusion protein was cleaved with thrombin, and further purified over phosphotyrosine agarose and ion exchange resin to yield an SH2 domain that was >98% pure by SDS gel electrophoresis. A typical purification is outlined below. N-terminal sequencing and mass spectroscopic analysis have confirmed the expected sequence. The purified protein was stored under argon with an excess of dithiothreitol (DTT). Complex Preparation Syk-C SH2 protein: pTyr76 peptide complex samples were prepared by adding a two fold molar excess of the pTyr76 peptide dissolved in 0.5mL NMR buffer (50mM Tris-dn , 0.15N NaCI, 10mM DTT-d8, 0.025% NaN3, pH=7.0) to the Syk-C protein dissolved in the same buffer. This mixture was incubated overnight at 8°C then concentrated and further equilibrated using CentriconIO microconcentrators at 14°C. Five exchanges of buffer, 2mL to 200mL, ensured complete equilibration. Aliquots of the filtrate and the final complex solution were taken and analyzed by HPLC. All NMR samples contained 2-4mM protein. - 55 - A typical Syk-C purification Cell Lvsis: 1) About 7g frozen pelleted cells were thawed in two volumes of PBS, 0.5% Triton X- 100, 500mM NaCI, 5mM DTT, 2mM EDTA, 1mM PMSF. 2) The resulting homogenate was lysed using a 20K Manual-Fill FRENCH Pressure Cell at 16,000 psi for two passes. 3) Lysed cells were again diluted with two volumes fresh lysis buffer, stirred for 10 minutes, then centrifuged for 40 minutes at 30,600 x g to sediment cell debris. 4) Supematant was filtered through 0.8μm Supor membrane filters prior to column loading. All actions carried out at 4°C. Glutathione Agarose Chromatography: 1 ) 26 x 100mm Glutathione Agarose column was equilibrated with PBS, 2mM DTT. 2) Filtered bacterial lysate was loaded at 2 ml/minute, then column was washed with PBS, 0.5% Triton X-100, 500mM NaCI, 2mM DTT, followed by PBS, 2mM DTT. 3) GST fusion protein was eluted with 100mM Tris, 100mM NaCI, 20mM Reduced Glutathione, 2mM DTT, pH 8.0. Enzvmatic Cleavage of GST Fusion Protein: 1) 1 unit of human thrombin was added per mg of total protein in the Glutathione Agarose eluate. 2) The thrombin was allowed to react for- 16 hours at 4°C with slow magnetic stirring. 3) Completion of cleavage was verified by 20% SDS gel, then the reaction was stopped with 1 mM PMSF. 4) Cleaved fusion protein was filtered through 0.2μm Supor membrane prior to loading on Phosphotyrosine Agarose column. Phosphotyrosine Agarose Chromatography: 1) 26 x 100mm Phosphotyrosine Agarose column was equilibrated with Buffer A (20mM Tris, 100mM NaCI, 5mM DTT, pH 7.4.) 2) Cleaved fusion protein was loaded at 2 ml/minute then washed back to baseline with Buffer A. 3) Syk-C was eluted with a 0-100% B gradient in 4 column volumes. Buffer B = A + 1.9M additional NaCI. PEI Chromatography: 1) 16 x 53mm polyethyleneimine column was equilibrated with Phosphotyrosine Buffer A. - 56 - 2) Pooled Phosphotyrosine peak was loaded over PEI at 5 ml/minute then washed with Buffer A. Syk-C was in the flowthrough. D. ZAP-C Experimental Cloning and expression The C-terminal SH2 domain of human ZAP 70 was produced as a glutathione-S-transferase (GST) fusion protein. Residues 155-258 of ZAP 70 were cloned into a pGEX expression vector and transformed into E. coli BL21. In a typical fermentation ZAP-C was produced from the growth and induction of four liters of culture in LB media supplemented with 200mg/mL ampicillin. The culture was grown at 37°C to an OD at 595nm of 1 , induced with 1mM IPTG and harvested four hours later. Just prior to induction the temperature was dropped to 25°C. 1 5 N- labeled ZAP-C was produced from the growth and induction of culture in M9 medium supplemented with 1 g/L of 5 NH4CI. Cells were stored at -80°C. Purification The ZAP-C ceils were lysed and the protein was affinity purified over glutathione agarose. The GST fusion protein was cleaved with thrombin, and further purified over phosphotyrosine agarose to yield an SH2 domain that was >95% pure by sodium dodecyl sulfate (SDS) gel electrophoresis. N-terminal sequencing confirmed the expected sequence. The purified protein was stored under argon with an excess of dithiothreitol (DTT). A typical ZAP-C purification Cell Lvsis: 1 ) 50g of frozen ZAP-C cells were thawed in two volumes of PBS, 0.5% Triton, 500mM NaCI, 5mM DTT, 2mM EDTA, 1 mM PMSF. 2) The resulting homogenate was iysed using a Minnie Rannie cell disruptor at 16,000 psi for three passes. 3) The ceil lysate was centrifuged for 40 minutes at 30,000 x g. 4) The supematant was collected and filtered through a 0.8mm membrane prior to column loading. Ail actions were carried out at 4°C. Glutathione Agarose Chromatography: 1) A 26 x 100mm glutathione agarose column was equilibrated with PBS, 2mM DTT. 2) Filtered bacterial lysate was loaded at 2mUminute, then column was washed with PBS,0.5% Triton, 500mM NaCI, 2mM DTT followed by PBS, 2mM DTT. 3) GST fusion protein was eluted with 100mM Tris, 100mM NaCI, 2mM DTT 20mM reduced glutathione pH 8. - 57 - Enzymatic Cleavage of GST Fusion Protein: 1 ) 1 unit of human thrombin was added per mg of protein in the glutathione agarose eluate. 2) The thrombin was allowed to react overnight at 4°C with slow stirring. 3) Additional thrombin (1 unit/mg protein) was added to the protein solution in the morning and the cleavage reaction was monitored by SDS gel. Upon completion the reaction was stopped with 1 mM PMSF. Phosphotyrosine Agarose Chromatography 1 ) A 26 x 80mm phosphotyrosine agarose column was equilibrated with Buffer A (20mM Tris, 100mM NaCI, 2mM DTT, 2mM EDTA, pH 7.4. ) 2) One-half of the cleaved fusion protein was loaded on the column at 2mUminute and then washed to baseline with Buffer A. The ZAP-C was eluted with a 0-100% B gradient in 4 column volumes. (Buffer B=A+1.9M NaCI.) 3) The phosphotyrosine chromatography was then applied to the second half of the cleaved fusion protein. The ZAP-C fractions were collected and analyzed by UV/visible spectroscopy. I I . Preparation Of Ligands All peptides were synthesized by automated solid-phase synthesis on Applied Biosystems 431 A or 433A synthesizers using N-fluorenylmethoxycarbonyl (Fmoc) amino acids bearing TFA- labile side chain protection. Syntheses were performed on a 0.25 to 0.5 mmol scale on Rink resin (Rink, H. Tetrahedron Lett. 1987, 28, 3787-3790). Amino acids (1.0 mmol) were coupled using HBTU/HOBt/DIEA (1 :1 :2) as activating agents. Coupling reactions are 30-50 min. Assembled peptides are acetylated (Ac2θ/pyridine in DMA) either prior to phosphorylation (single 5 min reaction) or after phosphorylation (2 x 10 min reaction). Phosphorylation 39 - 40 Resin-bound peptide (0.25 mmol) and tetrazole (25-40 equiv/OH) are combined and dried under vacuum in the presence of NaOH pellets in a desiccator overnight. The flask is then flushed with N2 and DMA (6 mL) added. ( l BuO)2PNEt2 (10 equiv/OH) is added and the mixture sonicated for 60-90 min. The resin is filtered, washed with DMA (3 x 5 mL) and CH2CI2 (4 x 5 mL). CH2CI2 (5 mL) and mCPBA (2-5 equiv per OH) are added and the mixture sonicated for a further 20-50 min. The resin is filtered, washed with CH2CI2 (6 x 5 mL), and dried under suction. - 58 - Cleavage and Deprotection. Phosphorylated peptide-resin is treated with either TFA: phenol: water (90:5:5), or TFA: water: ethanedithiol: anisole: phenol (95:5:5:5:2) for 90-120 min. The resin is filtered, washed with TFA and the filtrate concentrated by rotary evaporation. Diethyl ether is added to precipitate the crude peptide, which is filtered, washed with Et2θ and dried. Peptides are purified by a combination of gel filtration, preparative HPLC, and gel desalting. Gel filtration. Crude peptide is dissolve in 0.1 M NH4HCO3 (10-20 mL) and applied to a Sephadex G-25 column (2.6 x 100 cm) eluted at ca. 0.5 mL/min. Eluent is monitored at 254 or 278 nm and product-containing fractions are identifed by analytical HPLC, pooled, and lyophilised. Preparative HPLC. Peptides were purified on a reversed phase Kromasil C8 column (10 micron particle size, 100 A pore size, 20 x 250 mm) with UV monitoring at 220 nm. Product was eluted with a gradient of either 60/40 MeCN/H2θ (0.1 % TFA) in 0.1% aq. TFA, or 60/40 MeCN/25mM Et3N phosphate pH7 in 25mM Et3N phosphate. The latter buffer required that the isolated pure peptide be desalted, which was achieved by applying the lyophilised product to a Sephadex G-10 or G-15 column (2.6 x 30 cm) eluted with 0.1 M NH4HCO3 at 1-2 mL min. Ligand (9) The solid phase synthesis of ligand (9) was performed according to the procedures described above, using Nα-Fmoc-(0,0-diethyl-α,α-difluorophosphonomethyl)phenylalaπine (Fmoc- F2Pmp(OEt)2θH) (Burke, T.R.; Smyth, M.S.; Otaka, A.; Nomizu, M.; Roller, P.P.; Wolf, G.; Case R.; Shoelson, S.E. Nonhydrolyzable Phosphotyrosyl Mimetics for the Preparation of Phosphatase-Resistant SH2 Domain Inhibitors. Biochem. 1994, 33, 6490-6494) The peptide was cleaved from the resin using TFA:phenol:H20:ethanedithiol:anisole (18:1 :1 :1 :1) to afford the crude bis-O.O-diethyl difluorophosphonate-containing product. Final deprotection was achieved by treatment of the crude product with TMS-l:MeCN (1 :1 ) for 20 min at RT. The solvent was evaporated and the residue dissolved in 0.2M sodium phosphate (pH 7.0: 50 mL). The solution was washed with diethyl ether (6 x 15 mL) and lyophilised. The product was purified as described above. I I I . Crystallization & Structure Determination A. ZAP-NC was crystallized in complexes with various ligands (see Table 1 ) as follows: 1. Zap/ζ1 : The binary complex of ZAP-NC and the ζ1 19mer (Ligand 5, Table 1 ) was concentrated to 30 mg/ml in a buffer containing 20 mM Tris at pH 8.5, 200 mM sodium chloride, and 20 mM dithiothreitol. The complex of ZAP-NC with ζ1 peptide was further treated with 4 mM trimethyllead acetate. Crystals spontaneously grew within 3 weeks in hanging drops containing 13.5 mg/ml protein complex and 10% polyethyleneglycol 4000, 50 mM sodium - 59 - citrate at pH 6.2, 100mM ammonium acetate, 0.005% sodium azide and 20 mM dithiothreitol over reservoirs of 20% polyethyleneglycol 4000 and 20 mM dithiothreitol. Large crystals were obtained overnight through microseeding. The crystals are monoclinic (P2ι , a=50.11 , b=63.37, c=54.00 A, and β =114.44°), with one molecule per assymetric unit. Crystals of ZAP-NC complexed with Ligand 8 (Table 1 ) were obtained under the same conditions. 2. Zap/ζ2: Crystals of the binary complex of ZAP-NC and the ζ2 19mer (Ligand 6, Table 1 ) were obtained under conditions similar to those used for Zap/ζ1 , with the few modifications noted below. Protein was concentrated in 10 mM Tris at pH 8.5, 0.5 M sodium chloride, 20 mM DTT. 20 to 26 mg/ml protein was treated with 2mM trimenthyllead accetate for one hour before crystallization set-up . The drops contained 20 mM sodium accetate and 0.2 M sodium chloride in addition to the conditions described for Zap/ζ1 complex. The final pH in the drops is 6.4 to 6.5. The crystallization was with Zap/ζ1 microseeding. (no spontanoues crystallization was obtained).The crystals are monoclinic (P2 , a=50.00, b=63.19, c=54.22 A, and β =1 14.6°), with one molecule per assymetric unit, and diffracted x-rays to a resolution of 2.2 A. 3. Zap/ζ3: Crystals of the binary complex of ZAP-NC and the ζ3 19mer (Ligand 7, Table 1 ) were obtained as described for ZAP-NC/ζ2 except for the inclusion of sodium accetate in the drops. Crystallization was obtained following microseeding with Zap/ζ1 crystals. The crystals are monoclinic (P2ι , a=49.85, b=63.38, c=54.01 A, and β =1 14.43°), with one molecule per assymetric unit, and diffracted x-rays to a resolution of 2.6 A. 4. Zap/difluorophosphono-ζ1 : Crystals of the binary complex of ZAP-NC and the difiuorophosphono analog of C1 19mer (Ligand 9, Table 1 ) were obtained as described for ZAP-NC/ζ1 following microseeding with Zap/ζ1 crystals. The crystals are monoclinic (P2ι , a=49.77, b=60.87, c=53.58 A, and β =1 17.09°), with one molecule per assymetric unit, and diffracted x-rays to a resolution of 2.2 A. 5. Zap/lgE γTAM 19mer: Crystals of the binary complex of ZAP-NC and the IgE γTAM 19mer (Ligand 1 , Table 1 ) were obtained as described for ZAP-NC/ζ1 , but at pH 6.6, following microseeding with Zap/ζ3 crystals. 6. Zap/lgE γTAM 16mer analog: Crystals of the binary complex of ZAP-NC and the IgE γTAM 16mer analog (Ligand 10, Table 1) were obtained as described for ZAP-NC/ζ1 , but at pH 7.0 with microseeding of Zap/gama crystals in the present of 2% glycerol. 7. Zap/Ligand 1 1 : ZAP-NC was mixed with 3mM Ligand 11 (Table 1) and treated with trimethyllead acetate. Crystals were obtained from a mixture of 12.5 mg/ml ZAP-NC protein, - 60 - 1.5 mM Ligand 11 and 1.5 mM trimethyllead acetate in a solution of 10% PEG 4K, 50 mM Tris at pH 8.23 and 10 mM DTT. B . SYK-NC was crystallized with and without ligand (see Table 1 ), as follows: 1. SYK-NC (without ligand) was concentrated in 20 mM Tris at pH 8.0, 0.2 M sodium chloride, 40 mM DTT. Crystals were obtained with 12.5 mg/ml protein in 10% PEG 4k, 0.2 M sodium chloride, 50 mM phosphate buffer, pH 7.3, 30 mM DTT. 2. syk/ζ1 : Crystals of the binary complex of SYK-NC and the ζ1 19mer (Ligand 6, Table 1 ) were obtained with 1 1 mg/ml syk/ζ1 complex in 50 mM Hepes at pH 7.2, 9% PEG4k, 4% 2- propanol, 0.25 M sodium chloride, 30 mM DTT. 3. syk/γ 19: Crystals of the binary complex of SYK-NC and the IgE γ 19mer (Ligand 1 , Table 1 ) were obtained with 1 1 mg/ml syk/ζ1 complex in 50 mM Tris at pH 7.68 or 50 mM Imidazole at pH 7.36, 11 % PEG4k, 3.5% 2-propanol, 0.3 M sodium chloride, 30 mM DTT. 4. syk/γ15: Crystals of the binary complex of SYK-NC and the IgE γ 15mer (Ligand 2, Table 1) were obtained under several different sets of conditions: a. 18mg/ml complex in 10% PEG 4K, 50mM citrate/phosphate buffer at pH 5.6, 0.1 M ammonium chloride, 0.01% sodium azide, 30mm DTT. b. 18mg/ml complex in 10% PEG 4K, 50mM sodium citrate buffer at pH 5.6, 0.1 M ammonium acetate, 0.5% methylpentanediol, 0.01 % sodium azide, 30mM DTT. c. 18mg/ml complex in 10% PEG 6K, 50mM phosphate buffer at pH 6.2, 0.2 M sodium chloride, 50 mM ammonium accetate, 0.01% sodium azide, 30mM DTT. 5. syk/γ25: Crystals of the binary complex of SYK-NC and the IgE γ 25mer (Ligand 3, Table 1 ) were obtained under several different sets of conditions: a. 12.5 mg/ml SYK-NC/ligand complex in 16% PEG 2K, 50 mM sodium citrate, 5% glycerol, 20 mM DTT, pH6.46. b. 12.5 mg/ml SYK-NC/ligand complex in 10% PEG 4K, 50 mM sodium citrate, 0.1 M ammonium accetate, 20 mM DTT, pH6.3. 6. syk/γTam 27mer: Crystals of SYK-NC with the IgE γ 27mer (Ligand 4, Table 1 ) were obtained as described immediately above in the case of the IgE γ 25mer (Ligand 3, Table 1 ). - 61 - C. ZAP-NC :ζ1 three dimensional structure X-ray diffraction data obtained using crystals of the ZAP-NC:ζ-1 complex (one complex per unit cell) were analyzed as described elsewhere (see also Table 2), yielding coordinates defining the three dimensional structure of the crystalline complex. The structure of the ZAP- NC:ζ2 complex was determined by molecular replacement using the X-ray diffraction data for the ZAP-NC:ζ2 complex and the structure of the ZAP-NC:ζ-1 complex as represented by the coordinates of Appendix I. Rigid body refinement was conducted using the ZAP-NC:ζ1 model. The resultant model was rebuilt by replacement of the ζ1 peptide with ζ2, followed by conventional refinement. The X-ray data of the ZAP-NC:ζ-1 "dimeric" complex (two complexes per unit cell) was also solved by molecular replacement using the ZAP-NC:ζ-1 ("monomer") structure. Rigid body refinement was conducted using the complete ZAP-NC:ζ-1 "monomeric" model, followed by rigid body refinement using individual SH2 domains and rebuilding of the helical domain region. Those structural coordinates are set forth in Protein Databank format in Appendix I (ZAP-NC:ζ-1 complex, "monmeric"), Appendix II ( ZAP-NC:ζ2 complex) and Appendix lil (ZAP-NC:ζ-1 complex, "dimeric"), below. Such data may be transferred to any desired medium, and formatted as desired, for the practitioner's computer. This invention encompasses those coordinates as well as any translation or rotation or the like thereof which maintains the internal coordinates, i.e., which maintains their intrinsic, internal relationship. Those skilled in the art will appreciate that the coordinates may be subjected to other transformations including, e.g. molecular mechanics calculations such as dynamic simulation, minimization, etc. This invention further encompasses the use of coordinates of ZAP-NC or the corresponding region of other ZAP famiiy members, and in particular, the coordinates set forth in Appendix I, Appendix II or Appendix III, in conducting such transformations (or more extensive transformations such as the generation of alternative conformations), as well as the products of such transformations (i.e., derivatives of the coordinates). I V . Modeling To illustrate the receptor site mapping approach, we used the Molecular Discovery suite of programs (Molecular Discovery Ltd; Goodford, P.J. "A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules" J. Med. Chem. 1985, 28, 849-857) on a Silicon Graphics Onyx workstation running irix 5.2 to evaluate ZAP-NC as follows: (1) The Protein Data Bank (PDB) coordinate file of ZAP-NC + ζ1 was stripped of the ζ1 peptide and all crystallographically observed water molecules (using the Remove Atom feature of Sybil) . - 62 - (2) The resultant PDB file was merged with a set of molecular mechanics parameters that are suitable for the study of proteins. (Suitable such parameter sets include the user extensible data files which typically accompany the computer program.) (3) A three-dimensional box that encapsulated the entire peptide binding face of each SH2 domain and the interfacial regions between the two domains was generated. The box dimensions were 6θA x 4θA x 37A, and a regular lattice of points positioned at 0.5A intervals was designated to fill the box. The box position is illustrated in FIG. 6. (4) At each lattice point, 46 atomic and polyatomic probes were positioned sequentially. These probes encompass parameters that are representative of a large variety of chemical moieties. The energy of interaction between each probe with the protein was computed at each point of the lattice according to an empirical potential energy function that includes explicit terms for Lennard-Jones, electrostatic, and hydrogen-bonding potentials. The degree of burial for each probe was computed by the method of images. (5) A binary contour map was generated, which can be used to visualize the sites of favorable interaction of a given probe at a given potential energy. An example is provided in FIG. 7. Data from this receptor site mapping experiment were transfered to a DAT tape written in tar format on a Silicon Graphics Onyx workstation running Irix 5.2. The map data uses the file extensions .cnt and .lont for the binary contour maps and the ASCII output, respectively. The orientation of the maps corresponds to our file zapNC-zl .pdb, which is in the Brookhaven Protein Databank format. The contour files are readable by Sybyl 6.1 (Tripos, Inc., St. Louis, Mo). Filenames correspond to the probe nomenclature in the Molecular Discover Programmes, Version 12. Information provided by site mapping via these or other programs as described in the Computational Methods section can be used to determine the spatial arrangement of potential pharmacophores, and thus provide the seed points for searches of 3-D databases or de Novo programs that attempt to grow from or link together the selected points. For an illustration of a pharmacophoric substructure for use in computational approaches, see e.g. Fesik (1993) cited elsewhere herein. For example, the data defining binary contour maps may be displayed as 3D structures identifying preferred locations for selected functional groups using a software program such as Sybyl. By visual inspection of those displayed representations, one can select corresponding compounds containing moieties appropriately disposed with respect to each other such that they - 63 - coincide with preferred locations shown by the maps (i.e., locations identified for each selected functional group characterized by favorable interaction energies with the target protein). Using computer programs such as LeapFrog one may "grow" a compound stochastically from one or more selected moieties located within appropriately mapped locations. Alternatively, starting with mapped favorable locations for two or more moieties, one may define'Vectors" defining the spatial relationship between those moieties, and then use those vectors to select or design compounds embodying the selected moieties in the appropriate spatial relationship. Databases containing 3D structures of potential ligands contain experimentally determined or computationally generated structures. The selection or design process may be conducted with the aid of computer using a programs such as ALADDIN (Van Drie et al, 1989, J Comput-Aided Mol Des 3, 225-251 ), MACCS-3D (Moock et al, 1990, Chemical Information Systems, (Eds, Bawden & Mitchell, Chichester, pp 42-49), 3D SEARCH, ChemDBS-3D, SYBYL/3DB and CAVEAT. See e.g., Fesik, 1993, J Biomolecular NMR 3, 261-269. V. Assays (1 ) Binding Assays (a) Competitive Binding Assays: Binding may be measured by competition using surface plasmon resonance and allied technologies (Malmqvist, M. Current Opinions in Immunology 5, 282-286; (1993); Malmqvist, M., Nature 361 :186-187 (1993); Jonsson, U. and Malmqvist, M., Advances in Biosensors, JAI Press Ltd., London, 1992, pp. 291-336; Jonsson, U. et al., BioTechniques 1 1 (5):620-627 (1991 ). SH2 domains are typically pre-incubated with various concentrations of test compound and the ability of the test compound to competitively inhibit SH2 binding to an immobilized phosphopeptide iigand measured. Results are compared to binding measured in the absence of competitor and expressed as percent inhibition. IC50 values reflect the concentration of inhibitor required to reduce binding by 50%. Specifics of individual assays are described below. All asssays are run in HEPES Buffered Saline (HBS) composed of 10 mM HEPES (pH 7.4) / 150 mM NaCI / 3.4 mM EDTA / 0.05% Tween 20 ± 10 mM DTT at 25°C. Primary Screen -- Test compound (e.g. 50uM) is preincubated with the target SH2 in HBS ± 10 mM DTT for a minimum of 1 hr at 4°C. The ability of the compound to inhibit binding of the SH2 domain to a target phosphopeptide is measured using SPR. Compounds that inhibit SH2/phosphopetide association by a pre-determined increment (e.g. >50%) are subjected to a secondary screen. Secondary Screen -- Log dilutions of test compound (10 "4 , 10 "5 , 10" 6 , ...) are preincubated with the target SH2 in HBS ± 10 mM DTT. The ability of the compound to inhibit binding of the - 64 - SH2 domain to the target phosphopeptide is measured using SPR. IC50s are determined from the plot of per cent inhibition (compared to SH2 domain in the absence of inhibitor) vs. compound concentration. • Specifics of Tandem ZAP Assay : A peptide corresponding to the ζ-chain ITAM-1 of the human T-celi receptor [NQLY(Pθ4)NELNLGRREEY(Pθ4)DVLD] [SEQ ID NO 15] was synthesized as a part of a larger peptide [Ac-KGGNQLY(Pθ4)NELNLGRREEY-(Pθ4)DVLD- H2] [SEQ ID NO 16]and used to generate a ZAP-sensitive biosensor surface. Specifically, a Biosensor Chip CM5 was activated with 200 mM EDC / 50 mM NHS to generate a surface reactive to primary amines and the ITAM peptide immobilized through the N-terminal lysine. Unreacted sites were blocked with ethanolamine (1 M in water) and the chip cleaned of non-covalently bound peptide using 6 M guanidine hydrochloride. Assays were run in HBS + 10 mM DTT using 10 nM pp70 ZAP (1-259) +/- test inhibitor. • Specifics of N-ZAP Assay: A peptide corresponding to the ζ-chain ITAM-1 of the human T-cell receptor [NQLYNELNLGRREEY(Pθ4)DVLD] [SEQ ID NO 17]was synthesized as a part of a larger peptide [Ac-KGGNQLYNELNLGRREEY-(Pθ4)DVLD-NH2] [SEQ ID NO 18] and used to generate a ZAP-sensitive biosensor surface as described above. Assays were run in HBS + 10 mM DTT using pp70 ZAP (1-259)R195K (a mutant where Arginine-195 is replaced by Lysine to inactivate the C-terminal SH2 domain) +/- test inhibitor. • Specifics of C-ZAP Assay: A peptide corresponding to the ζ-chain ITAM-1 of the human T-cell receptor [NQLYNELNLGRREEY(Pθ4)DVLD] [SEQ ID NO 17] was synthesized as a part of a larger peptide [Ac-KGGNQLYNELNLGRREEY-(Pθ4)DVLD-NH2] [SEQ ID NO 18] and used to generate a ZAP-sensitive biosensor surface as described above. Assays were run in HBS + 10 mM DTT using pp70 ZAP (1 -259)R37K (a mutant where Arginine- 37 is replaced by Lysine to inactivate the N-terminal SH2 domain) or pp70 ZAP (161 - 259)+/- test inhibitor. • Specifics of Tandem Svk Assay : A pp72 svk peptide ligand corresponding to the γ- chain ITAM of human Fc ε RI [DGVY(Pθ4)TGLSTRNQETY(Pθ4)ETLK][SEQ ID NO 19] was synthesized as part of a larger peptide [Ac-CGGDGVY(Pθ4)TGLSTRNQETY-(Pθ4)ETLK- NH2] [SEQ ID NO 20] and used to generate a Syk-sensitive biosensor surface. Specifically, a Biosensor Chip CM5 was activated with 200 mM ethyl-3-(3-dimethy!aminopropyl)- carbodiimide hydrochloride (EDC)/ 50 mM N-hydroxysuccinimide (NHS) to generate a surface reactive to primary amines; treated with ethylenediamine to generate a surface rich in primary amines; activated with m-maleimidobenzoyl-N-hydroxysuccinimide ester (sulfo-MBS; 50 mM in 25 mM NaHCOβ) to generate a surface reactive to free thiols; and the ITAM peptide immobilized through the N-terminal cysteine. Unreacted sites were - 65 - blocked with β -mercaptoethanol and the chip cleaned of non-covalently bound peptide using 6 M guanidine hydrochloride. Assays were run in HBS using 20 nM pp72 s k (1-265) + l- test inhibitor. • Specifics of C-Syk Assay : A pp72 svk peptide ligand corresponding to a hemiphosphorylated γ-chain ITAM of human Fc ε RI [DGVY(P04)TGLSTRNQETYETLK] was synthesized as part of a larger peptide [Ac-CGGDGVY(Pθ4)TGLSTRNQETYETLK-NH2] and used to generate a C-Syk-sensitive biosensor surface as described above for tandem syk. Assays were run in HBS using 270 nM pp72 svk (163-265) + /- test inhibitor. (2) Cell-based Assays (a) T ceil assay (T cell receptor-dependent transcription) Purpose and description of assay: This assay measures the ability of a compound to inhibit TCR activation of the IL-2 transcription pathway in the human Jurkat T ceil line. These Jurkat cells have been transfected with a construct containing the β -galactosidase gene under the control of an upstream promoter element, the NF-AT binding site, which normally regulates IL-2 production. 18 When cells are activated, β -galactosidase is produced. Drug Treatment of Cells and Stimulation: The compounds to be assayed are serially diluted into assay buffer and each dilution is added to the Jurkat cells for a 1 hour pre¬ incubation. After the pre-incubation, the cells are transferred to plates coated with antibody to the CD3 component of the TCR. This antibody crosslinks the TCR, leading to activation of receptor signaling pathways. The cells are incubated for 4 hours, then the amount of β -gal produced is measured. Measurement of β -galactosidase: The assay is used to quantitate the amounts of β -galactosidase produced is the MUG assay. MUG, 4-methylumbeliiferone galactose, is cleaved by β -galactosidase to form a fluorescent derivative, 7-hydroxy-4-methylcoumarin. The observed fluorescence correlates with the amount of cleavage product, and thus with the amount of β -galactosidase. Production of β -gal without the addition of compound determines the 100% value for each well. The raw data is converted into "percent of control" , triplicate wells are averaged, and then the data is plotted as % of control release vs. concentration of test compound. (b) Cytotoxic T Lymphocyte killing Purpose and description of assay: This assay measures the ability of a compound to inhibit the cytolytic function of human cytotoxic lymphocyte lines. Human CD8 + CTL were generated from mitogen-stimulated peripheral blood lymphocytes. Mitogen activated cells were grown in IL2 and re-stimulated every 3 weeks with antibodies directed against the T cell - 66 - receptor complex and CD8+ ceils were sorted and cloned. Clone T9 was selected for use in the CTL assay. Since the T cells were selected nonspecifically, i.e. no specific antigen was used for induction, the target chosen for the assay was the B cell hybridoma OKT3. This cell line expresses anti-CD3 on its surface(an antibody against one of the subunits of the T cell receptor). The recognition of the T cell receptor by the antibody induces the cytolytic process of the target Drug Treatment of Cells and Stimulation: The compounds to be assayed are serially diluted into assay buffer and each dilution is added to the CTL's for a 1 hour pre-incubation. After the pre-incubation, the cells are mixed with 51 Cr labelled OKT3 cells at a ratio of 3:1 (effectoπtarget) and incubated for 3 hours. This ratio of effector to targets results in approximately 30% specific release. Measurement of 5l Cr elease : The cell mixture is centrifuged and the supematant is removed. The amount of 51 Cr released into the media is measured on a γ counter and the specific release is determined using detergent lysed target ceils as the 100% value. The data is plotted as % specific release vs. concentration of test compound. (3) Animal Models: (a) DELAYED TYPE HYPERSENSITIVITY An initial screening model is delayed type hypersensitivity. Mouse abdomens are painted with sensitizing chemicals (sensitization) such as dinitroflourobenzene or oxazalone. Seven days later the ears of sensitized mice are painted (challenge) with a Iower concentration of the compound. Antigen processing and presentation, T lymphocyte activation, leukocyte infiltration, humoral mediator release, increased microvascular permeability, and plasma exudation all result from challenge of sensitized mice and lead to edema formation. Edema presents as a two- to three- fold increase in ear thickness within twenty-four hours. The test compounds or standards can be applied (topical or parenteral) at various times before or after the sensitization or challenge phases. Increased ear thickness is prevented by several compounds including immunosuppressive agents and steroids. This model is a primary model for contact dermatitis. (b) ALLOGENEIC SKIN TRANSPLANTATION An allogeneic skin transplant model is used to identify immunosuppressive activity of test compounds. In this model, donor mouse thoracic skin (Balb/c) is surgically grafted onto the thorax of recipient mice (C57bl/6). Host rejection of the graft is evidenced by erythema, drying out, and retraction of donor skin. The mean graft survival time is 10 to 11 days, with - 67 - 80% of the grafts being rejected by 12 days. Active novel immunosuppressive compounds, like existing immunosuppressive compounds, will prolong graft survival. (C) POPLITEAL LYMPH NODE HYPERPLASIA This model directly assesses T lymphocyte proliferation in vivo. Spleen cells, obtained from Balb/c mice, are isolated and administered into the foot pads of C3H mice. Within four days, the popliteal lymph nodes can be removed from the recipient mice and weighed. Other hematological assessments including FACS scanning for T lymphocyte subpopulations may also be performed. Active compounds, like existing immunosuppressive compounds, will inhibit the increase in node mass. (d) RHEUMATOID ARTHRITIS Several models are available for assessment of anti-arthritic activity, including adjuvant- induced, carageenan-induced, and collagen-induced arthritis in rats and/or mice. Paw pads are injected with one of these agents. Paws increase in volume, and measurements are made between 20 and 30 days later. The ability of test compounds to prevent the induction of paw swelling is tested with daily treatment for 12 consecutive days following the injection of inducing agent. The ability for the test compounds to reverse the progression of the paw swelling is tested by administration of the compound for 12 consecutive days beginning on the twelfth day following the injection of inducing agent. Paw swelling measurements are made by water displacement plethysmography. Histology is also an appropriate endpoint for these studies. The MRIJIpr- mouse model, described above, is required for the rheumatoid arthritis indication. This model is a spontaneous autoimmune model that develops rheumatoid arthritis resembling the human condition, including the presence of circulating rheumatoid factor, pannus formation, and bone and cartilage erosion. (e SYSTEMIC LUPUS ERYTHEMATOSUS Systemic lupus erythematosus is another autoimmune disease with several animal models. Several murine strains develop spontaneous SLE. One such strain is MRL/lpr-mice. These mice, over time (20 to 30 weeks) develop auto-antibodies against dsDNA, nuclear antigens, and renal basement membrane. This leads to complement fixation and immune complex formation. Damage to the kidney becomes apparent with the onset of proteinuria. Many of the other physiologic, hematologic, and immunologic aberrations described below for the CGVHD model are present. Immunosuppressive compounds such as cyclosporin, cyclophosphamide, and leflunomide can prevent and reverse the course of disease in this model. Interestingly, these mice also develop pathologies akin to rheumatoid arthritis. - 68 - The murine chronic graft versus host disease model (CGVHD, described below) is a model of SLE that contains many of the clinical features of SLE. Activity in this model has been shown to be predictive of activity in the more clinically relevant SLE models. ffl TRANSPLANTATION Allograft transplantation (skin graft) assay is often used as an initial test of immunosuppressive activity. While this model is useful as a screen, it may be supplemented with assays based on animal transplant models involving transplantation of internal organ (heart, liver, kidney, bone marrow) with use of "clinically acceptable" physiologic endpoints to assess graft survival. Efficacy of test compounds in only a very limited number of these rodent models is required. Following observation of activity in a rodent model, the test compounds are typically tested in further animal models (e.g., canine, porcine or non-human primate). Active compounds decrease acute and chronic rejection and prolong transplant survival. (g) GRAFT VS. HOST DISEASE Chronic GVHD (CGVHD) can be used to model CD4 + -dependent humoral immunity. It is induced in BDFi mice (which are progeny of DBA/2 male x C57B1J6 female matings) by administering to them isolated spleen:lymph node cells from DBA/2 mice. This results in: a) disregulation and stimulation of CD4+ T lymphocyte (Ly1 + ; murine marker) activity due to incompatibilities at MHC II molecules, and b) abnormal T-B lymphocyte cooperation. The resulting pathological state, in many ways, mimics systemic lupus erythematosus (SLE). Several measurable endpoints develop within 14 days; including, circulating anti-host IgG and IgE antibodies, altered T and B lymphocyte proliferation activity measured in vitro, complement utilization, hemagglutination, slow progressive wasting, dermal aberrations, splenomegaly, lymphoid hyperplasia, and proteinuria. Only a few of these endpoints need to be measured. Active compounds are are those which limit T lymphocyte disregulation and abrogate changes in these variables. Many steroids (e.g., prednisolone), cyclosporine, FK-506, cyclophosphamide, and leflunomide are all active in this model and can be used as positive controls The acute GVHD model (AGVHD) is also produced in BDF-) mice. In this case, isolated spleen:lymph node cells from C57BIJ6 mice are administered. This results in disregulation and stimulation of CD8+ T lymphocytes due to incompatibilities in the MHC I molecules. Elevated cytokine levels and donor clonal expansion occurs. Ultimately, donor cytotoxic T lymphocytes and NK cells rapidly reject host tissue and cause relatively rapid death of the recipient. The progression of AGVHD in this model is assessed by measurement of hematoiogic abnormalities (including T cell number and type), cytokine elevations (TNF, IL-1 , IL-2, and/or IL-4), low body weight, hypoγglobulinemia, circulating hematoiogic characteristics indicative of aplastic anemia (granulocytopenia, thrombocytopenia), ex vivo NK or CTL activity, and host survival. - 69 - Active compounds are those which abrogate changes in the variables, and prolong survival over 4 to 6 weeks. th) A STH M A Asthma offers another opportunity for safe immunosuppressive therapy. Atopic asthmatics have antibody mediated hypersensitivity and the often occurring late phase reaction is likened to a DTH response. Asthma has only recently been defined as an inflammatory disease (1992). Since then, several publications from prominent asthmatologists demonstrate the presence of activated CD4 + and CD8+ T lymphocytes in bronchoalveolar lavage fluid and blood of atopic asthmatics. The ratios of these cells changes in asthmatic conditions. Furthermore, several of the T cell associated cytokines (IL-1 , IL-2, IL-4, IL-5, and TNF) are all implicated in clinical and experimental asthma. Inflammatory events in asthma are now considered to be T lymphocyte driven. Initial clinical trials with inhaled cyclosporin suggest that local immunosuppression can ameliorate airway hyperreactivity - the underlying defect in asthma. The guinea pig model of antigen-induced pulmonary aberrations is used as a model for asthma. These animals are actively sensitized to ovalbumin to generate high circulating titers of anti- ovalbumin antibody with seroconversion to the IgE class, as is the case with atopic asthmatics. 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Graph. 6, 13-27 (1988). - 72 - Appendix I : Coordinates for the 3D structure of ZAP-NC : zl* REMARK FILENAME *** " test-slow. pdb" REMARK T0PH19 .pep -MACRO for protein sequence created by user : marcos Atom Atom amino acid temp Nymfcer type residue X V z OCC factor ATOM 1 CB ASP 3 -1.489 -4.706 36.906 1.00 37.30 ATOM 2 CG ASP 3 -2.232 -3.399 37.163 1.00 38.04 ATOM 3 ODI ASP 3 -2.949 -3.304 38.181 1.00 39.49 ATOM 4 OD2 ASP 3 -2.094 -2.461 36.353 1.00 34.64 ATOM 5 C ASP 3 -1.755 -4.886 34.408 1.00 34.63 ATOM 6 0 ASP 3 -0.595 -4.867 34.003 1.00 34.56 ATOM 7 HT1 ASP 3 -0.506 -6.812 35.572 1.00 0.00 ATOM 8 HT2 ASP 3 -1.947 -7.433 34.967 1.00 0.00 ATOM 9 N ASP 3 -1.527 -6.899 35.753 1.00 40.12 ATOM 10 HT3 ASP 3 -1.707 -7.382 36.652 1.00 0.00 ATOM 11 CA ASP 3 -2.095 -5.522 35.754 1.00 36.56 ATOM 12 N PRO 4 -2.771 -4.385 33.690 1.00 31.82 ATOM 13 CD PRO 4 -4.186 -4.460 34.087 1.00 32.51 ATOM 14 CA PRO 4 -2.640 -3.739 32.379 1.00 29.95 ATOM 15 CB PRO 4 -4.058 -3.243 32.113 1.00 30.71 ATOM 16 CG PRO 4 -4.895 -4.275 32.774 1.00 31.34 ATOM 17 C PRO 4 -1.652 -2.579 32.341 1.00 28.61 ATOM 18 O PRO 4 -1.211 -2.170 31.265 1.00 •30.48 ATOM 19 N ALA 5 -1.333 -2.029 33.509 1.00 25.13 ATOM 20 H ALA 5 -1.777 -2.325 34.322 1.00 0.00 ATOM 21 CA ALA 5 -0.411 -0.905 33.592 1.00 21.95 ATOM 22 CB ALA 5 -1.029 0.206 34.437 1.00 20.80 ATOM 23 C ALA 5 0.973 -1.261 34.121 1.00 20.21 ATOM 24 O ALA 5 1.884 -0.442 34.064 1.00 19.51 ATOM 25 N ALA 6 1.151 -2.504 34.553 1.00 19.03 ATOM 26 H ALA 6 0.413 -3.137 34.469 1.00 0.00 ATOM 27 CA ALA 6 2.422 -2.958 35.124 1.00 18.99 ATOM 28 CB ALA 6 2.339 -4.443 35.462 1.00 22.76 ATOM 29 C ALA 6 3.674 -2.679 34.296 1.00 16.60 ATOM 30 O ALA 6 4.755 -2.485 34.847 1.00 14.22 - 73 - ATOM 31 N HIS 7 3.527 -2.665 32.977 1.00 15.98 ATOM 32 H HIS 7 2 .628 -2 .813 32 .643 1 .00 0 .00 ATOM 33 CA HIS 7 4 .660 -2 .422 32 .091 1 .00 16 .26 ATOM 34 CB HIS 7 4 .424 -3 .096 30 .736 1 .00 16 .78 ATOM 35 CG HIS 7 3 .194 -2 .622 30 .027 1 .00 16 .42 ATOM 36 CD2 HIS 7 3 .033 -1 .729 29 .021 1 .00 16. .56 ATOM 37 NDI HIS 7 1 .933 -3 .092 30 .324 1, .00 15, .90 ATOM 38 HD1 HIS 7 1, .674 -3 .788 30 .967 1, .00 0, .00 ATOM 39 CEI HIS 7 1. .049 -2 .511 29 .534 1, .00 16. .52 ATOM 40 NE2 HIS 7 1, .692 -1 .681 28 .734 1. .00 17. .76 ATOM 41 HE2 HIS 7 1, .276 -1. .120 28 .048 1. .00 0. .00 ATOM 42 C HIS 7 5, .014 -0 .943 31 .891 1, .00 17, .19 ATOM 43 O HIS 7 6. .082 -0, .629 31. .357 1. .00 18. .03 ATOM 44 N LEU 4, .125 -0, .038 32. .300 1. .00 14. .61 ATOM 45 H LEU 3. .316 -0. .310 32. .782 1. .00 0. .00 ATOM 46 CA LEU 4. .382 1. .393 32. .143 1. .00 14. .75 ATOM 47 CB LEU 3. .106 2. .216 32. .371 1. .00 15. .09 ATOM 48 CG LEU 2. .051 2. .374 31. .267 1. .00 19. .47 ATOM 49 CDl LEU 2. .669 2. .167 29. .891 1. ,00 21. .37 ATOM 50 CD2 LEU 0. .911 1. .417 31. .472 1. 00 23. ,01 ATOM 51 C LEU 5. .481 1. .879 33. .085 1. 00 13. ,31 ATOM 52 O LEU 5. .432 1. .628 34. .288 1. ,00 13. ,01 ATOM 53 N PRO 9 6. .478 2. .609 32. .551 1. ,00 13. ,43 ATOM 54 CD PRO 9 6. .691 2. .982 31. .141 1. ,00 13. ,38 ATOM 55 CA PRO 9 7. .571 3. .113 33. .385 1. ,00 12. .50 ATOM 56 CB PRO 9 8. .523 3. .736 32. .363 1. ,00 12. .42 ATOM 57 CG PRO 9 7. .617 4. .159 31. .267 1. 00 14. ,81 ATOM 58 C PRO 9 7. ,117 4. .122 34. .440 1. 00 10. ,81 ATOM 59 O PRO 9 7. .783 4. .297 35. .459 1. ,00 12. .13 ATOM 60 N PHE 10 5. .985 4. .776 34. .200 1. ,00 11. .91 ATOM 61 H PHE 10 5. .502 4. .601 33. .371 1. ,00 0. .00 ATOM 62 CA PHE 10 5. .451 5. .761 35. .140 1. ,00 11. .80 ATOM 63 CB PHE 10 4. .981 7. .029 34. .406 1. .00 10. .49 ATOM 64 CG PHE 10 4. .009 6. .769 33. .289 1. .00 12. .16 ATOM 65 CDl PHE 10 2. .642 6. .722 33. .536 1. .00 11. .91 ATOM 66 CD2 PHE 10 4. .460 6. .579 31, .985 1. .00 12. .16 ATOM 67 CEI PHE 10 1. .738 6, .492 32, .505 1. .00 14, .05 ATOM 68 CE2 PHE 10 3, .561 6, .348 30. .949 1. .00 11, .03 ATOM 69 CZ PHE 10 2. .198 6. .305 31 .210 1, .00 10 .40 74 ATOM 70 C PHE 10 4.348 5.220 36.063 1.00 10.35 ATOM 71 O PHE 10 3.648 5.994 36.714 1.00 9.59 ATOM 72 N PHE 11 4.172 3.901 36.085 1.00 10.23 ATOM 73 H PHE 11 4.752 3.312 35.559 1.00 0.00 ATOM 74 CA PHE 11 3.179 3.263 36.944 1.00 9.09 ATOM 75 CB PHE 11 2.539 2.060 36.241 1.00 8.78 ATOM 76 CG PHE 11 1.602 1.266 37.119 1.00 8.82 ATOM 77 CDl PHE 11 0.374 1.787 37.504 1.00 9.98 ATOM 78 CD2 PHE 11 1.949 -0.011 37.548 1.00 12.08 ATOM 79 CEI PHE 11 -0.497 1.046 38.301 1.00 10.58 ATOM 80 CE2 PHE 11 1.083 -0.759 38.345 1.00 11.57 ATOM 81 CZ PHE 11 -0.141 -0.230 38.722 1.00 10.29 ATOM 82 C PHE 11 3.904 2.819 38.214 1.00 10.01 ATOM 83 O PHE 11 4.890 2.084 38.157 1.00 10.38 ATOM 84 N TYR 12 3.421 3.279 39.360 1.00 8.54 ATOM 85 H TYR 12 2.645 3.868 39.342 1.00 0.00 ATOM 86 CA TYR 12 4.050 2.962 40.628 1.00 7.85 ATOM 87 CB TYR 12 4.154 4.229 41.471 1.00 9.01 ATOM 88 CG TYR 12 5.234 5.165 40.994 1.00 9.41 ATOM 89 CDl TYR 12 5.079 5.911 39.829 1.00 11.88 ATOM 90 CEI TYR 12 6.098 6.737 39.371 1.00 10.68 ATOM 91 CD2 TYR 12 6.432 5.275 41.688 1.00 10.27 ATOM 92 CE2 TYR 12 7.444 6.094 41.242 1.00 10.04 ATOM 93 CZ TYR 12 7.275 6.821 40.086 1.00 10.17 ATOM 94 OH TYR 12 8.296 7.629 39.659 1.00 14.36 ATOM 95 HH TYR 12 8.048 7.993 38.798 1.00 0.00 ATOM 96 C TYR 12 3.398 1.856 41.436 1.00 8.85 ATOM 97 O TYR 12 3.909 1.466 42.483 1.00 9.35 ATOM 98 N GLY 13 2.278 1.340 40.950 1.00 11.20 ATOM 99 H GLY 13 1.920 1.683 40.111 1.00 0.00 ATOM 100 CA GLY 13 1.597 0.284 41.669 1.00 12.09 ATOM 101 C GLY 13 0.762 0.814 42.818 1.00 12.99 ATOM 102 O GLY 13 0.266 1.940 42.769 1.00 12.85 ATOM 103 N SER 14 0.635 0.010 43.865 1.00 12.55 ATOM 104 H SER 14 1.068 -0.867 43.854 1.00 0.00 ATOM 105 CA SER 14 -0.167 0.356 45.027 1.00 14.38 ATOM 106 CB SER 14 -0.680 -0.931 45.685 1.00 13.42 ATOM 107 OG SER 14 -1.532 -0.657 46.784 1.00 21.30 ATOM 108 HG SER 14 -1.068 -0.007 47.331 1.00 0.00 75 ATOM 109 C SER 14 0.542 1.232 46.060 1.00 15.49 ATOM 110 O SER 14 0 .894 0 .760 47 .144 1 .00 18 .54 ATOM 111 N ILE 15 0 .748 2 .506 45 .737 1, .00 14, .76 ATOM 112 H ILE 15 0 .428 2, .829 44, .869 1. .00 0, .00 ATOM 113 CA ILE 15 1, .390 3, .423 46, .676 1. .00 12. .31 ATOM 114 CB ILE 15 2 .571 4, .210 46 .040 1, .00 12, .37 ATOM 115 CG2 ILE 15 3 .712 3, .256 45, .687 1. .00 13. .51 ATOM 116 CGI ILE 15 2, .101 5, .014 44, .827 1. .00 11, .08 ATOM 117 CD ILE 15 3, .131 6. .016 44. .347 1. .00 12. .11 ATOM 118 C ILE 15 0. .354 4. .398 47. .226 1. .00 10. .69 ATOM 119 O ILE 15 0. .750 4. .488 46. .701 1. .00 11. .71 ATOM 120 N SER 16 0. .700 5. .099 48. .299 1. ,00 8. .45 ATOM 121 H SER 16 1. .588 5. .018 48. .689 1. .00 0. .00 ATOM 122 CA SER 16 0. .219 6. .053 48. .899 1. .00 12. .16 ATOM 123 CB SER 16 0. .073 6. .199 50. .393 1. ,00 8. .73 ATOM 124 OG SER 16 1. .380 6. .711 50. .597 1. ,00 11. .59 ATOM 125 HG SER 16 1. .483 6. .783 51. .560 1. ,00 0. .00 ATOM 126 C SER 16 0. .073 7. .411 48. .225 1. ,00 11. .37 ATOM 127 O SER 16 0. .883 7. .640 47. .474 1. 00 10. .80 ATOM 128 N ARG 17 1. .006 8. .315 48. .509 1. ,00 10. .26 ATOM 129 H ARG 17 1. .743 8. .056 49. .105 1. ,00 0. .00 ATOM 130 CA ARG 17 0. .944 9. .657 47. .947 1. .00 8. .92 ATOM 131 CB ARG 17 2. .148 10. .492 48. .385 1. ,00 9. .48 ATOM 132 CG ARG 17 2. .033 11. .962 47. .998 1. ,00 8. .28 ATOM 133 CD ARG 17 3. .228 12. .766 48. .448 1. ,00 8. .69 ATOM 134 NE ARG 17 4. .417 12. .388 47. .701 1. ,00 8. .47 ATOM 135 HE ARG 17 4. .400 11. .503 47, .308 1. .00 0, .00 ATOM 136 CZ ARG 17 5, .470 13. .173 47, .505 1. .00 10, .19 ATOM 137 NHI ARG 17 5, .499 14. .402 48, .002 1. .00 10, .59 ATOM 138 HH11 ARG 17 4, .717 14. .750 48, .520 1. .00 0 .00 ATOM 139 HHl2 ARG 17 6, .295 14, .988 47, .859 1. .00 0 .00 ATOM 140 NH2 ARG 17 6, .490 12, .734 46, .789 1. .00 8 .14 ATOM 141 HH21 ARG 17 6. .457 11, .804 46, .413 1. .00 0 .00 ATOM 142 HH22 ARG 17 7 .292 13 .305 46 .629 1, .00 0 .00 ATOM 143 C ARG 17 0 .342 10 .321 48 .426 1 .00 11 .05 ATOM 144 O ARG 17 1 .039 10 .974 47 .649 1 .00 12 .01 ATOM 145 N ALA 18 0 .666 10 .131 49 .704 1 .00 9 .21 ATOM 146 H ALA 18 0 .067 9 .605 50 .279 1 .00 0 .00 ATOM 147 CA ALA 18 1 .872 10 .708 50 .286 1 .00 11 .20 76 - ATOM 148 CB ALA 18 2.001 10.301 51.745 1.00 15.06 ATOM 149 C ALA 18 3 .123 10 .303 49 .521 1 .00 12 .57 ATOM 150 O ALA 18 3 .959 11 .152 49 .193 1 .00 12 .90 ATOM 151 N GLU 19 3 .250 9 .008 49 .240 1 .00 11 .57 ATOM 152 H GLU 19 2 .542 8 .381 49 .517 1 .00 0 .00 ATOM 153 CA GLU 19 4 .403 8 .488 48 .514 1 .00 11 .99 ATOM 154 CB GLU 19 4 .364 6 .960 48 .465 1 .00 13 .36 ATOM 155 CG GLU 19 4 .482 6 .297 49 .820 1 .00 20 .61 ATOM 156 CD GLU 19 4 .358 4 .790 49 .742 1 .00 21 .71 ATOM 157 OEI GLU 19 5 .400 4 .108 49 .647 1 .00 29 .81 ATOM 158 OE2 GLU 19 3 .216 4 .285 49 .774 1, .00 19 .69 ATOM 159 C GLU 19 4 .449 9 .043 47 .099 1. .00 11, .13 ATOM 160 O GLU 19 5, .524 9, .357 46, .584 1. .00 12. .79 ATOM 161 N ALA 20 3, .280 9 .155 46, .472 1. .00 12. .51 ATOM 162 H ALA 20 2 .463 8 .875 46, .939 1. .00 0, .00 ATOM 163 CA ALA 20 3, .177 9, .681 45, .109 1. .00 13, .22 ATOM 164 CB ALA 20 1, .730 9, .596 44, .616 1. .00 10. .29 ATOM 165 C ALA 20 3. .679 11. .127 45. .052 1. .00 11. .20 ATOM 166 O ALA 20 4. .466 11. .494 44. .175 1. ,00 11. .31 ATOM 167 N GLU 21 3. .243 11. .933 46. .009 1. 00 10. .24 ATOM 168 H GLU 21 2. .638 11. .588 46. .693 1. ,00 0. .00 ATOM 169 CA GLU 21 3. .652 13. .328 46. .071 1. ,00 10. .86 ATOM 170 CB GLU 21 2. .804 14. .091 47. .082 1. ,00 7. .73 ATOM 171 CG GLU 21 1. .349 14. .202 46. .656 1. 00 8. .58 ATOM 172 CD GLU 21 0. ,488 15. ,002 47. ,625 1. 00 10. .14 ATOM 173 OEI GLU 21 -0. ,692 15. .230 47. .308 1. 00 9. .72 ATOM 174 OE2 GLU 21 0. ,985 15. ,414 48. .693 1. 00 13. .94 ATOM 175 C GLU 21 5. .142 13. ,468 46. ,374 1. 00 12. .31 ATOM 176 O GLU 21 5. ,780 14. ,425 45. ,942 1. 00 13. .09 ATOM 177 N GLU 22 5. ,706 12. ,487 47. ,073 1. 00 13. .22 ATOM 178 H GLU 22 5. 162 11. 739 47. 388 1. 00 0. .00 ATOM 179 CA GLU 22 7. ,124 12. ,508 47. ,394 1. 00 11. .25 ATOM 180 CB GLU 22 7. 454 11. ,396 48. ,389 1. 00 16. .27 ATOM 181 CG GLU 22 8. 811 11. 551 49. 035 1. 00 25. .51 ATOM 182 CD GLU 22 9. 194 10. 364 49. 891 1. 00 32. .11 ATOM 183 OEI GLU 22 8. 324 9. 852 50. 631 1. 00 36. .02 ATOM 184 OE2 GLU 22 10. ,371 9. ,948 49. ,818 1. 00 34. .67 ATOM 185 C GLU 22 7. 942 12. 345 46. 107 1. 00 11. .86 ATOM 186 O GLU 22 8. 902 13. 080 45. 873 1. 00 10. .75 - 77 ATOM 187 N HIS 23 7.537 11.406 45.255 1.00 9.76 ATOM 188 H HIS 23 6 .741 10 .889 45 .512 1 .00 0 .00 ATOM 189 CA HIS 23 8 .226 11 .162 43 .987 1 .00 9, .26 ATOM 190 CB HIS 23 7 .651 9 .927 43 .286 1 .00 7 .86 ATOM 191 CG HIS 23 8 .087 8 .634 43 .903 1 .00 10, .39 ATOM 192 CD2 HIS 23 9 .315 8 .090 44 .050 1, .00 8, .91 ATOM 193 NDI HIS 23 7, .205 7 .746 44, .482 1, .00 14. .23 ATOM 194 HD1 HIS 23 6, .236 7, .854 44, .576 1. .00 0. .00 ATOM 195 CEI HIS 23 7, .873 6. .713 44, .960 1. .00 10. .97 ATOM 196 NE2 HIS 23 9, .156 6 .898 44, .711 1, .00 13. .67 ATOM 197 HE2 HIS 23 9. .898 6, .306 44. .998 1. .00 0. .00 ATOM 198 C HIS 23 8. .156 12. .361 43. .045 1. .00 10. .69 ATOM 199 O HIS 23 9. .148 12. .708 42. .394 1. ,00 10. .64 ATOM 200 N LEU 24 6. .986 12. .992 42. .978 1. ,00 10. .63 ATOM 201 H LEU 24 6. .232 12. .680 43. .521 1. .00 0. .00 ATOM 202 CA LEU 24 6. .792 14. .159 42. .117 1. .00 10. .53 ATOM 203 CB LEU 24 5. .309 14. .532 42. .046 1. ,00 10. .68 ATOM 204 CG LEU 24 4. .393 13. .515 41. .350 1. ,00 11. .63 ATOM 205 CDl LEU 24 2. .935 13. .881 41. .539 1. ,00 9. ,03 ATOM 206 CD2 LEU 24 4. ,724 13. .449 39. ,874 1. 00 7. 43 ATOM 207 C LEU 24 7. .636 15. .343 42. .599 1. ,00 11. .35 ATOM 208 O LEU 24 8. .165 16. .110 41. .790 1. ,00 11. .67 ATOM 209 N LYS 25 7. .790 15. .472 43. .914 1. .00 11. .16 ATOM 210 H LYS 25 7. .347 14. .841 44. .523 1. ,00 0. .00 ATOM 211 CA LYS 25 8. .595 16. .548 44. .480 1. ,00 10. .68 ATOM 212 CB LYS 25 8. .465 16. .587 46. .001 1. .00 9. .16 ATOM 213 CG LYS 25 7. .135 17. .068 46. .517 1. .00 6. .98 ATOM 214 CD LYS 25 7. .109 16. .971 48. .018 1. .00 8. .43 ATOM 215 CE LYS 25 5. .794 17. .436 48. .586 1. .00 9. .56 ATOM 216 NZ LYS 25 5. .858 17. .440 50. .075 1. .00 9. .88 ATOM 217 HZ1 LYS 25 6. .621 18. .081 50. .375 1. .00 0. .00 ATOM 218 HZ2 LYS 25 6. .068 16. .480 50. .403 1. .00 0 .00 ATOM 219 HZ3 LYS 25 4. .953 17. .769 50. .472 1. .00 0 .00 ATOM 220 C LYS 25 10. .051 16, .323 44. .125 1. .00 12 .70 ATOM 221 O LYS 25 10. .728 17, .226 43. .634 1. .00 15 .29 ATOM 222 N LEU 26 10. .518 15, .096 44. .334 1. .00 14 .74 ATOM 223 H LEU 26 9, .913 14 .405 44, .690 1, .00 0 .00 ATOM 224 CA LEU 26 11, .906 14 .746 44, .057 1, .00 16 .13 ATOM 225 CB LEU 26 12, .231 13 .357 4 .618 1, .00 13 .92 - 78 - ATOM 226 CG LEU 26 12.231 13.216 46.145 1.00 13.80 ATOM 227 CDl LEU 26 12 .430 11 .772 46 .521 1 .00 16 .36 ATOM 228 CD2 LEU 26 13 .320 14 .072 46 .761 1 .00 17 .12 ATOM 229 C LEU 26 12 .252 14 .818 42 .574 1 .00 18 .06 ATOM 230 O LEU 26 13 .427 14 .852 42 .207 1 .00 19 .38 ATOM 231 N ALA 27 11 .226 14 .853 41 .730 1 .00 19 .46 ATOM 232 H ALA 27 10 .312 14 .818 42 .076 1 .00 0 .00 ATOM 233 CA ALA 27 11 .414 14 .926 40 .285 1 .00 20 .96 ATOM 234 CB ALA 27 10 .309 14 .154 39 .576 1 .00 19 .82 ATOM 235 C ALA 27 11 .495 16 .356 39 .741 1, .00 20, .81 ATOM 236 O ALA 27 11 .713 16 .551 38 .544 1 .00 24, .10 ATOM 237 N GLY 28 11 .285 17 .352 40, .596 1, .00 20, .02 ATOM 238 H GLY 28 11 .099 17, .182 41. .546 1, .00 0, .00 ATOM 239 CA GLY 28 11, .369 18, .723 40. .132 1. .00 19. .49 ATOM 240 C GLY 28 10 .100 19, .554 40. .161 1. .00 21. .05 ATOM 241 O GLY 28 10. .164 20, .764 39. .955 1. .00 22. .70 ATOM 242 N SEM 29 8. .946 18. .926 40. .374 1. .00 20. .23 ATOM 243 H SEM 29 8, .927 17, .952 40. .496 1. .00 0. .00 ATOM 244 CA SEM 29 7, .669 19. .650 40. .438 1. .00 21. .17 ATOM 245 CB SEM 29 7, .641 20. .595 41. .645 1. .00 24. .34 ATOM 246 CG SEM 29 7. .505 19. .914 42. .994 1. ,00 28. .45 ATOM 247 A SEM 29 5. .834 18. .935 43. .183 1. ,00 33. .82 ATOM 248 CE SEM 29 4. .660 20. .332 43. .772 1. ,00 30. .42 ATOM 249 C SEM 29 7. .311 20. .438 39. ,177 1. ,00 19. .69 ATOM 250 O SEM 29 6. .640 21. .471 39. .250 1. ,00 18. .65 ATOM 251 N ALA 30 7. .749 19. .948 38. .025 1. ,00 19. .92 ATOM 252 H ALA 30 8. .251 19. .114 38. ,032 1. ,00 0. .00 ATOM 253 CA ALA 30 7. .459 20. .612 36. ,760 1. ,00 20. .38 ATOM 254 CB ALA 30 8. .314 20. .023 35. .641 1. ,00 20. .76 ATOM 255 C ALA 30 5. .985 20. .454 36. .428 1. ,00 21. .88 ATOM 256 O ALA 30 5. .346 19. .494 36. ,857 1. 00 22. .02 ATOM 257 N ASP 31 5. .434 21. .423 35. ,705 1. ,00 21. .51 ATOM 258 H ASP 31 5. .990 22. .173 35. .411 1. ,00 0. .00 ATOM 259 CA ASP 31 4. .034 21. .367 35. ,304 1. ,00 22. .50 ATOM 260 CB ASP 31 3. ,582 22. ,700 34. ,704 1. ,00 26. .22 ATOM 261 CG ASP 31 3. .559 23. .818 35. ,723 1. ,00 32. .04 ATOM 262 ODI ASP 31 2. .465 24. .354 35. ,985 1. ,00 38. .46 ATOM 263 OD2 ASP 31 4. .632 24. .163 36. ,265 1. 00 39. .17 ATOM 264 C ASP 31 3. .897 20. .263 34. ,271 1. .00 18, .87 79 ATOM 265 O ASP 31 4.762 20.106 33.407 1.00 18.52 ATOM 266 N GLY 32 2 .826 19 .488 34 .376 1 .00 17 .28 ATOM 267 H GLY 32 2 .174 19 .611 35 .099 1 .00 0, .00 ATOM 268 CA GLY 32 2 .609 18 .403 33 .445 1 .00 15, .03 ATOM 269 C GLY 32 3 .263 17, .108 33 .890 1 .00 15, .03 ATOM 270 O GLY 32 3 .047 16, .073 33, .263 1, .00 18. .44 ATOM 271 N LEU 33 4 .079 17, .159 34 .942 1, .00 15, .47 ATOM 272 H LEU 33 4, .234 18, .007 35, .398 1, .00 0. .00 ATOM 273 CA LEU 33 4, .746 15. .965 35, .470 1. .00 14. .99 ATOM 274 CB LEU 33 5, .765 16. .359 36, .545 1, .00 14. .41 ATOM 275 CG LEU 33 6. .585 15. .272 37, .248 1. .00 15. .28 ATOM 276 CDl LEU 33 7. .603 14. .664 36. .297 1. .00 14. .45 ATOM 277 CD2 LEU 33 7. ,278 15. .869 38. .461 1. .00 12. .37 ATOM 278 C LEU 33 3. .648 15. .093 36. .078 1. .00 13. .99 ATOM 279 O LEU 33 2. .833 15. .582 36. .868 1. ,00 12. ,54 ATOM 280 N PHE 34 3. .625 13. .810 35. .726 1. .00 13. ,31 ATOM 281 H PHE 34 4. .305 13. .484 35. .098 1. .00 0. ,00 ATOM 282 CA PHE 34 2. .581 12. .918 36. .224 1. ,00 13. ,12 ATOM 283 CB PHE 34 1. .410 12. .877 35. .225 1. ,00 10. ,40 ATOM 284 CG PHE 34 1. .713 12. .111 33. .955 1. .00 13. ,52 ATOM 285 CDl PHE 34 1. .269 10. ,798 33. .796 1. ,00 13. ,58 ATOM 286 CD2 PHE 34 2. .460 12. .694 32. .934 1. .00 10. .22 ATOM 287 CEI PHE 34 1. .567 10. .078 32. .640 1. .00 14. .14 ATOM 288 CE2 PHE 34 2. .762 11. .985 31. .776 1. ,00 12. .23 ATOM 289 CZ PHE 34 2, .314 10. .671 31. .628 1. .00 13. .01 ATOM 290 C PHE 34 3. .050 11. .494 36, .462 1. .00 11. .75 ATOM 291 O PHE 34 4. .097 11. .083 35. .967 1. .00 12. .17 ATOM 292 N LEU 35 2, .240 10. .738 37, .197 1, .00 11. .21 ATOM 293 H LEU 35 1. .413 11. .119 37, .565 1. .00 0. .00 ATOM 294 CA LEU 35 2. .522 9, .336 37, .470 1, .00 8, .87 ATOM 295 CB LEU 35 3, .428 9, .168 38, .701 1, .00 8, .10 ATOM 296 CG LEU 35 2, .980 9, .520 40, .123 1, .00 8 .50 ATOM 297 CDl LEU 35 2, .063 8, .438 40, .681 1, .00 9 .19 ATOM 298 CD2 LEU 35 4 .209 9, .637 41 .002 1 .00 6 .81 ATOM 299 C LEU 35 1, .190 8, .615 37 .637 1 .00 7 .92 ATOM 300 O LEU 35 0, .153 9, .251 37 .855 1 .00 8 .48 ATOM 301 N LEU 36 1 .209 7 .297 37 .498 1 .00 8 .12 ATOM 302 H LEU 36 2 .057 6 .836 37 .350 1 .00 0 .00 ATOM 303 CA LEU 36 0 .000 6 .502 37 .626 1 .00 8 .05 80 - ATOM 304 CB LEU 36 -0.258 5.734 36.327 1.00 9.30 ATOM 305 CG LEU 36 -1.676 5.210 36.089 1.00 15.30 ATOM 306 CDl LEU 36 -2.635 6.386 35.956 1.00 15.10 ATOM 307 CD2 LEU 36 -1.716 4.348 34.832 1.00 17.89 ATOM 308 C LEU 36 0.164 5.532 38.789 1.00 8.05 ATOM 309 O LEU 36 1.238 4.961 38.991 1.00 8.20 ATOM 310 N ARG 37 -0.887 5.380 39.581 1.00 8.30 ATOM 311 H ARG 37 -1.714 5.882 39.404 1.00 0.00 ATOM 312 CA ARG 37 -0.853 4.468 40.716 1.00 8.39 ATOM 313 CB ARG 37 -0.583 5.229 42.015 1.00 6.96 ATOM 314 CG ARG 37 -1.508 6.396 42.282 1.00 6.89 ATOM 315 CD ARG 37 -0.974 7.196 43.451 1.00 10.99 ATOM 316 NE ARG 37 -1.722 8.428 43.678 1.00 8.74 ATOM 317 HE ARG 37 -1.529 9.196 43.101 1.00 0.00 ATOM 318 CZ ARG 37 -2.647 8.577 44.617 1.00 10.85 ATOM 319 NHI ARG 37 -2.956 7.567 45.423 1.00 9.35 ATOM 320 HH11 ARG 37 -2.500 6.681 45.337 1.00 0.00 ATOM 321 HHl 2 ARG 37 -3.658 7.697 46.120 1.00 0.00 ATOM 322 NH2 ARG 37 -3.236 9.751 44.775 1.00 8.78 ATOM 323 HH21 ARG 37 -2.988 10.517 44.184 1.00 0.00 ATOM 324 HH22 ARG 37 -3.915 9.870 45.480 1.00 0.00 ATOM 325 C ARG 37 -2.166 3.706 40.783 1.00 6.82 ATOM 326 O ARG 37 -3.161 4.125 40.193 1.00 8.12 ATOM 327 N GLN 38 -2.150 2.547 41.432 1.00 8.06 ATOM 328 H GLN 38 -1.324 2.268 41.866 1.00 0.00 ATOM 329 CA GLN 38 -3.353 1.735 41.549 1.00 9.21 ATOM 330 CB GLN 38 -2.996 0.311 41.974 1.00 13.08 ATOM 331 CG GLN 38 -4.203 -0.585 42.170 1.00 18.32 ATOM 332 CD GLN 38 -3.832 -1.990 42.590 1.00 18.70 ATOM 333 OEI GLN 38 -2.998 -2.195 43.472 1.00 19.47 ATOM 334 NE2 GLN 38 -4.463 -2.968 41.967 1.00 22.25 ATOM 335 HE21 GLN 38 -5.116 -2.694 41.275 1.00 0.00 ATOM 336 HE22 GLN 38 -4.267 -3.889 42.210 1.00 0.00 ATOM 337 C GLN 38 -4.293 2.359 42.565 1.00 10.19 ATOM 338 O GLN 38 -3.848 2.856 43.594 1.00 12.74 ATOM 339 N CYS 39 -5.589 2.339 42.278 1.00 11.02 ATOM 340 H CYS 39 -5.895 1.887 41.464 1.00 0.00 ATOM 341 CA CYS 39 -6.569 2.909 43.194 1.00 12.42 ATOM 342 CB CYS 39 -7.918 3.079 42.496 1.00 9.94 - 81 ATOM 343 SG CYS 39 -9.205 3.852 43.504 1.00 12.92 ATOM 344 C CYS 39 -6 .720 2 .008 44 .414 1 .00 12 .91 ATOM 345 O CYS 39 -6 .736 0 .782 44 .291 1 .00 13 .19 ATOM 346 N LEU 40 -6 .776 2 .620 45 .592 1 .00 10 .63 ATOM 347 H LEU 40 -6 .680 3 .598 45 .633 1 .00 0 .00 ATOM 348 CA LEU 40 -6 .934 1 .875 46 .833 1 .00 12. .90 ATOM 349 CB LEU 40 -6 .139 2 .543 47 .965 1 .00 11. .53 ATOM 350 CG LEU 40 -4, .629 2, .680 47 .747 1, .00 13. .24 ATOM 351 CDl LEU 40 -4, .020 3, .500 48 .863 1. .00 12. .45 ATOM 352 CD2 LEU 40 -3, .969 1 .317 47 .657 1, .00 12. .54 ATOM 353 C LEU 40 -8, .401 1, .789 47 .226 1, .00 11. .01 ATOM 354 O LEU 40 -8, .748 1, .127 48, .201 1. .00 12. .23 ATOM 355 N ARG 41 -9, .269 2. .412 46, .439 1. .00 10. .95 ATOM 356 H ARG 41 -8, .957 2. .869 45, .631 1. .00 0. .00 ATOM 357 CA ARG 41 10. .690 2. .431 46. .758 1. ,00 12. .13 ATOM 358 CB ARG 41 11. .185 3. .872 46. .820 1. ,00 10. ,86 ATOM 359 CG ARG 41 10. .390 4. .754 47. .756 1. ,00 10. ,97 ATOM 360 CD ARG 41 10. .855 6. .190 47. .675 1. ,00 14. ,51 ATOM 361 NE ARG 41 10. .749 6. .723 46. .321 1. .00 13. .81 ATOM 362 HE ARG 41 -9. .859 6. .768 45. .924 1. ,00 0. ,00 ATOM 363 CZ ARG 41 11. .774 7. .178 45. .612 1. ,00 16. ,54 ATOM 364 NHI ARG 41 12. .996 7. .177 46. .121 1. .00 18. ,89 ATOM 365 HH11 ARG 41 13. .161 6. .844 47. .050 1. .00 0. .00 ATOM 366 HHl2 ARG 41 13. .760 7. .526 45. .579 1. .00 0. .00 ATOM 367 NH2 ARG 41 11. .582 7. .602 44. .373 1. ,00 21. .20 ATOM 368 HH21 ARG 41 10. .666 7. .569 43. .973 1. ,00 0. .00 ATOM 369 HH22 ARG 41 12. .355 7. .948 43. .842 1. ,00 0. .00 ATOM 370 C ARG 41 11. .603 1. .636 45. .846 1. .00 13. .35 ATOM 371 O ARG 41 12. .672 1. .203 46, .274 1. .00 14. .24 ATOM 372 N SER 42 11. .210 1. .472 44. .589 1. .00 14. .81 ATOM 373 H SER 42 10. .362 1. .815 44, .255 1. .00 0. .00 ATOM 374 CA SER 42 12. .032 0. .738 43. .637 1. .00 15. .10 ATOM 375 CB SER 42 12. .471 1. .660 42, .496 1, .00 16. .52 ATOM 376 OG SER 42 11. .357 2. .145 41, .768 1. .00 17, .93 ATOM 377 HG SER 42 11. .715 2. .592 40, .982 1, .00 0, .00 ATOM 378 C SER 42 11. .298 -0. .476 43, .080 1, .00 15, .55 ATOM 379 O SER 42 10, .080 -0, .598 43 .220 1 .00 16 .20 ATOM 380 N LEU 43 12, .054 -1, .394 42 .490 1 .00 15 .52 ATOM 381 H LEU 43 13 .012 -1 .234 42 .420 1 .00 0 .00 - 82 ATOM 382 CA LEU 43 -11.484 -2.600 41.904 1.00 16.45 ATOM 383 CB LEU 43 -12.504 -3.741 41.923 1.00 19.56 ATOM 384 CG LEU 43 -12.877 -4.324 43.285 1.00 21.50 ATOM 385 CDl LEU 43 -13.998 -5.333 43.111 1.00 22.99 ATOM 386 CD2 LEU 43 -11.661 -4.976 43.916 1.00 21.68 ATOM 387 C LEU 43 -11.064 -2.319 40.470 1.00 15.54 ATOM 388 O LEU 43 -11.874 -1.871 39.657 1.00 16.36 ATOM 389 N GLY 44 -9.786 -2.542 40.184 1.00 15.64 ATOM 390 H GLY 44 -9.170 -2.822 40.896 1.00 0.00 ATOM 391 CA GLY 44 -9.267 -2.324 38.846 1.00 16.00 ATOM 392 C GLY 44 -9.138 -0.875 38.411 1.00 15.01 ATOM 393 O GLY 44 -8.965 -0.602 37.222 1.00 16.12 ATOM 394 N GLY 45 -9.188 0.048 39.368 1.00 12.81 ATOM 395 H GLY 45 -9.242 -0.234 40.305 1.00 0.00 ATOM 396 CA GLY 45 -9.075 1.459 39.044 1.00 10.47 ATOM 397 C GLY 45 -7.666 1.983 39.226 1.00 9.12 ATOM 398 O GLY 45 -6.795 1.292 39.766 1.00 9.20 ATOM 399 N TYR 46 -7.443 3.220 38.800 1.00 9.58 ATOM 400 H TYR 46 -8.185 3.734 38.409 1.00 0.00 ATOM 401 CA TYR 46 -6.137 3.859 38.914 1.00 10.00 ATOM 402 CB TYR 46 -5.426 3.889 37.548 1.00 10.79 ATOM 403 CG TYR 46 -5.110 2.528 36.977 1.00 12.05 ATOM 404 CDl TYR 46 -4.019 1.793 37.440 1.00 11.46 ATOM 405 CEI TYR 46 -3.758 0.514 36.960 1.00 10.52 ATOM 406 CD2 TYR 46 -5.931 1.952 36.010 1.00 13.57 ATOM 407 CE2 TYR 46 -5.678 0.674 35.525 1.00 13.97 ATOM 408 CZ TYR 46 -4.592 -0.037 36.007 1.00 14.16 ATOM 409 OH TYR 46 -4.362 -1.311 35.554 1.00 15.79 ATOM 410 HH TYR 46 -5.246 -1.670 35.351 1.00 0.00 ATOM 411 C TYR 46 -6.340 5.290 39.376 1.00 9.80 ATOM 412 O TYR 46 -7.472 5.747 39.525 1.00 9.96 ATOM 413 N VAL 47 -5.243 5.967 39.679 1.00 9.60 ATOM 414 H VAL 47 -4.355 5.549 39.641 1.00 0.00 ATOM 415 CA VAL 47 -5.298 7.365 40.057 1.00 9.96 ATOM 416 CB VAL 47 -5.092 7.619 41.573 1.00 9.82 ATOM 417 CGI VAL 47 -5.205 9.113 41.861 1.00 7.41 ATOM 418 CG2 VAL 47 -6.117 6.867 42.390 1.00 10.33 ATOM 419 C VAL 47 -4.180 8.045 39.286 1.00 8.75 ATOM 420 O VAL 47 -3.044 7.561 39.261 1.00 6.17 83 ATOM 421 N LEU 48 ■ 4.536 9,.117 38,.590 1..00 9.67 ATOM 422 H LEU 48 ■ 5. .470 9. .398 38, .591 1, .00 0, .00 ATOM 423 CA LEU 48 • 3. .585 9, .907 37, .827 1, .00 10, .81 ATOM 424 CB LEU 48 ■ 4. .275 10, .520 36, .604 1, .00 14, .82 ATOM 425 CG LEU 48 • 3. .499 10, .808 35, .312 1. .00 18, .26 ATOM 426 CDl LEU 48 ■ 4. .357 11. .691 34, .420 1. .00 19. .66 ATOM 427 CD2 LEU 48 2. .178 11. .482 35. .582 1. .00 16. .76 ATOM 428 C LEU 48 3. .174 11. .022 38. .786 1. .00 9. .47 ATOM 429 O LEU 48 4. .020 11. .754 39. .302 1. .00 9. .86 ATOM 430 N SER 49 1. .888 11. .119 39. .064 1. .00 8. .65 ATOM 431 H SER 49 1. .257 10. .496 38. .640 1. .00 0. .00 ATOM 432 CA SER 49 1. .386 12. .145 39. .956 1. .00 12. .04 ATOM 433 CB SER 49 0. .590 11. .479 41. .084 1. ,00 13. .48 ATOM 434 OG SER 49 0. .103 12. .428 42. .009 1. 00 30. .10 ATOM 435 HG SER 49 0. .614 12. .893 41. .557 1. ,00 0. .00 ATOM 436 C SER 49 0. .510 13. .088 39. .125 1. 00 10. .25 ATOM 437 0 SER 49 0. .481 12. .655 38. .537 1. ,00 11. .37 ATOM 438 N LEU 50 0. .888 14. .361 39. .040 1. ,00 12. .50 ATOM 439 H LEU 50 1. .689 14. .672 39. .504 1. ,00 0. .00 ATOM 440 CA LEU 50 0. .114 15. .319 38. .252 1. 00 13. .14 ATOM 441 CB LEU 50 0. .803 15. .591 36. .906 1. 00 14. .83 ATOM 442 CG LEU 50 2. .188 16. .241 36. .861 1. ,00 18. .60 ATOM 443 CDl LEU 50 2. .066 17. .749 36. .713 1. ,00 18. .66 ATOM 444 CD2 LEU 50 2. .959 15. .691 35. .681 1. ,00 22. .06 ATOM 445 C LEU 50 0. .181 16. .629 38. .973 1. .00 14, .34 ATOM 446 O LEU 50 0. .481 16. .982 39, .951 1. .00 14, .49 ATOM 447 N VAL 51 1. .190 17. .339 38. .481 1. ,00 13. .90 ATOM 448 H VAL 51 1. .680 17. .006 37. .698 1. .00 0. .00 ATOM 449 CA VAL 51 1. .591 18. .615 39, .052 1. .00 14, .39 ATOM 450 CB VAL 51 3. .124 18, .688 39, .277 1. .00 13 .58 ATOM 451 CGI VAL 51 3, .512 20, .051 39 .833 1. .00 12 .21 ATOM 452 CG2 VAL 51 3, .581 17, .592 40 .218 1, .00 12 .91 ATOM 453 C VAL 51 1 .218 19 .757 38 .111 1, .00 16 .09 ATOM 454 O VAL 51 1, .329 19 .637 36 .890 1, .00 17 .31 ATOM 455 N HIS 52 0, .755 20 .857 38 .688 1, .00 17 .95 ATOM 456 H HIS 52 0 .631 20 .876 39 .664 1 .00 0 .00 ATOM 457 CA HIS 52 0 .417 22 .050 37 .930 1, .00 19 .66 ATOM 458 CB HIS 52 •0 .950 21 .947 37 .264 1 .00 21 .46 ATOM 459 CG HIS 52 •1 .278 23 .126 36 .400 1 .00 25 .94 84 - ATOM 460 CD2 HIS 52 ■ 2.324 23.985 36.417 1.00 26.46 ATOM 461 NDI HIS 52 -0.447 23.555 35.385 1.00 27.09 ATOM 462 HD1 HIS 52 0.379 23.112 35.092 1.00 0.00 ATOM 463 CEI HIS 52 -0.965 24.630 34.818 1.00 24.62 ATOM 464 NE2 HIS 52 • 2.105 24.911 35.426 1.00 27.73 ATOM 465 HE2 HIS 52 ■ 2.713 25.644 35.178 1.00 0.00 ATOM 466 C HIS 52 0.429 23.217 38.899 1.00 21.92 ATOM 467 O HIS 52 ■ 0.241 23.176 39.926 1.00 20.84 ATOM 468 N ASP 53 1.245 24.221 38.592 1.00 26.19 ATOM 469 H ASP 53 1.857 24.140 37.845 1.00 0.00 ATOM 470 CA ASP 53 1.374 25.421 39.415 1.00 26.69 ATOM 471 CB ASP 53 0.043 26.185 39.499 1.00 30.60 ATOM 472 CG ASP 53 ■ 0.369 26.803 38.176 1.00 37.06 ATOM 473 ODI ASP 53 0.465 26.855 37.246 1.00 41.34 ATOM 474 OD2 ASP 53 ■ 1.537 27.243 38.070 1.00 39.93 ATOM 475 C ASP 53 1.859 25.075 40.811 1.00 25.96 ATOM 476 O ASP 53 1.337 25.589 41.802 1.00 27.13 ATOM 477 N VAL 54 2.844 24.181 40.876 1.00 24.42 ATOM 478 H VAL 54 3.192 23.818 40.037 1.00 0.00 ATOM 479 CA VAL 54 3.441 23.735 42.136 1.00 25.36 ATOM 480 CB VAL 54 4.218 24.896 42.834 1.00 25.58 ATOM 481 CGI VAL 54 5.100 24.360 43.949 1.00 27.09 ATOM 482 CG2 VAL 54 5.077 25.639 41.816 1.00 30.24 ATOM 483 C VAL 54 2.395 23.130 43.083 1.00 24.41 ATOM 484 O VAL 54 2.551 23.140 44.310 1.00 24.03 ATOM 485 N ARG 55 1.338 22.576 42.500 1.00 22.42 ATOM 486 H ARG 55 1.250 22.563 41.527 1.00 0.00 ATOM 487 CA ARG 55 0.273 21.957 43.272 1.00 23.20 ATOM 488 CB ARG 55 0.956 22.865 43.334 1.00 28.27 ATOM 489 CG ARG 55 0.807 23.981 44.356 1.00 39.63 ATOM 490 CD ARG 55 2.051 24.848 44.467 1.00 48.23 ATOM 491 NE ARG 55 1.954 25.777 45.595 1.00 56.45 ATOM 492 HE ARG 55 2.462 25.560 46.404 1.00 0.00 ATOM 493 CZ ARG 55 1.222 26.891 45.602 1.00 60.28 ATOM 494 NHI ARG 55 0.509 27.240 44.535 1.00 63.46 ATOM 495 HH11 ARG 55 0.514 26.661 43.716 1.00 0.00 ATOM 496 HH12 ARG 55 0.028 28.083 44.550 1.00 0.00 ATOM 497 NH2 ARG 55 1.192 27.657 46.686 1.00 60.77 ATOM 498 HH21 ARG 55 1.725 27.400 47.491 1.00 0.00 - 85 ATOM 499 HH22 ARG 55 0.647 28.494 46.685 1.00 0 00 ATOM 500 C ARG 55 0 .084 20 .600 42 .694 1 .00 18 98 ATOM 501 O ARG 55 0 024 20 377 41 488 1 00 18 12 ATOM 502 N PHE 56 0 499 19 692 43 567 1 00 17 36 ATOM 503 H PHE 56 0 588 19 942 44 514 1 00 0 00 ATOM 504 CA PHE 56 0 854 18 341 43 164 1 00 15 57 ATOM 505 CB PHE 56 0 498 17 347 44 270 1 00 14 98 ATOM 506 CG PHE 56 0 950 17 344 44 634 1 00 12 04 ATOM 507 CDl PHE 56 1 371 17 844 45 862 1 00 11 96 ATOM 508 CD2 PHE 56 1 897 16 847 43 749 1 00 13 48 ATOM 509 CEI PHE 56 2 714 17 852 46 203 1 00 13 52 ATOM 510 CE2 PHE 56 3 245 16 850 44 079 1 00 12 78 ATOM 511 CZ PHE 56 3 654 17 353 45 310 1 00 14 92 ATOM 512 C PHE 56 2 320 18 183 42 824 1 00 14 57 ATOM 513 O PHE 56 3 192 18 802 43 439 1 00 16 84 ATOM 514 N HIS 57 2 586 17 340 41 838 1 00 12 74 ATOM 515 H HIS 57 1 838 16 904 41 364 1 00 0 00 ATOM 516 CA HIS 57 3 942 17 049 41 412 1 00 13 90 ATOM 517 CB HIS 57 4 248 17 741 40 080 1 00 17 35 ATOM 518 CG HIS 57 4 144 19 235 40 145 1 00 22 06 ATOM 519 CD2 HIS 57 3 097 20 066 39 924 1 00 21 97 ATOM 520 NDI HIS 57 5 198 20 041 40 523 1 00 23 17 ATOM 521 HD1 HIS 57 6 107 19 754 40 750 1 00 0 00 ATOM 522 CEI HIS 57 4 802 21 303 40 536 1 00 23 20 ATOM 523 NE2 HIS 57 3 532 21 344 40 178 1 00 22 64 ATOM 524 HE2 HIS 57 2 966 22 151 40 144 1 00 0 00 ATOM 525 C HIS 57 4 014 15 533 41 294 1 00 11 98 ATOM 526 O HIS 57 3 099 14 901 40 765 1 00 11 55 ATOM 527 N HIS 58 5 058 14 944 41 867 1 00 10 .33 ATOM 528 H HIS 58 5 780 15 455 42 288 1 00 0 00 ATOM 529 CA HIS 58 5 217 13 499 41 848 1 00 8 93 ATOM 530 CB HIS 58 5 063 12 945 43 266 1 00 5 .64 ATOM 531 CG HIS 58 3 765 13 316 43 913 1 00 8 .00 ATOM 532 CD2 HIS 58 3 .449 14 .312 44 .772 1 .00 5 .61 ATOM 533 NDI HIS 58 2 .591 12 .636 43 .667 1 .00 6 .85 ATOM 534 HD1 HIS 58 2 .468 11 .854 43 .085 1 .00 0 .00 ATOM 535 CEI HIS 58 1 .609 13 .197 44 .349 1 .00 6 .57 ATOM 536 NE2 HIS 58 2 .102 14 .217 45 .024 1 .00 6 .83 ATOM 537 HE2 HIS 58 1 .588 14 .836 45 .576 1 .00 0 .00 86 ATOM 538 C HIS 58 -6.570 13.158 41.267 .00 9.13 ATOM 539 O H HIISS 58 -7.603 13.507 41 .831 1 .00 12.23 ATOM 540 N P PHHEE 59 -6.551 12.519 40 .107 1 .00 9.57 ATOM 541 H P PHHEE 59 -5.709 12.287 39 .679 1 .00 0.00 ATOM 542 CA PHE 59 -7.769 12.150 39 .408 1 .00 12.32 ATOM 543 CB PHE 59 -7.703 12.621 37 .948 1 .00 11.96 ATOM 544 CG PHE 59 -7.623 14.109 37 .789 1 .00 13.50 ATOM 545 CDl PHE 59 -6.397 14.762 37 .851 1. .00 12.51 ATOM 546 CD2 PHE 59 -8.777 14.861 37 .599 1, .00 13.89 ATOM 547 CEI PHE 59 -6.318 16.146 37, .731 1 .00 17.22 ATOM 548 CE2 PHE 59 -8.713 16.248 37, .478 1, .00 17.22 ATOM 549 CZ PHE 59 -7.481 16.893 37, .544 1. .00 17.16 ATOM 550 C PHE 59 -8.021 10.650 39. .427 1. .00 13.06 ATOM 551 O PHE 59 -7.232 9.868 38. .893 .00 12.71 ATOM 552 N PRO 60 -9.108 10.220 40. .075 .00 14.37 ATOM 553 CD PRO 60 10.034 10.958 40. .953 1. .00 13.14 ATOM 554 CA PRO 60 -9.374 8.782 40. .094 1. .00 15.39 ATOM 555 CB PRO 60 10.420 8.640 41. .206 1. .00 15.06 ATOM 556 CG PRO 60 11.125 9.952 41. .195 1. .00 16.60 ATOM 557 C PRO 60 -9.881 8.310 38. .719 1. .00 15.44 ATOM 558 O PRO 60 10.659 9.000 38. .051 1. ,00 16.09 ATOM 559 N ILE 61 -9.355 7.180 38. .267 1. .00 15.98 ATOM 560 H ILE 61 -8.723 6.742 38. .838 1. .00 0.00 ATOM 561 CA ILE 61 -9.724 6.582 36. .986 1. .00 15.23 ATOM 562 CB ILE 61 -8.472 6.222 36. .164 1. ,00 14.68 ATOM 563 CG2 ILE 61 -8.868 5.536 34. ,856 1. ,00 15.39 ATOM 564 CGI ILE 61 -7.655 7.482 35. ,886 1. ,00 13.45 ATOM 565 CD ILE 61 -6.296 7.211 35. .307 1. ,00 12.44 ATOM 566 C ILE 61 10.497 5.309 37. ,308 1. ,00 17.07 ATOM 567 O ILE 61 -9.978 4.413 37. ,984 1. ,00 16.51 ATOM 568 N GLU 62 11.739 5.240 36. .845 1. ,00 19.22 ATOM 569 H GLU 62 12.099 5.968 36. .290 1. .00 0.00 ATOM 570 CA GLU 62 12.582 4.084 37. .112 1. .00 23.18 ATOM 571 CB GLU 62 13.981 4.541 37. .538 1. .00 30.15 ATOM 572 CG GLU 62 14.906 3.407 37. .975 1. .00 39.45 ATOM 573 CD GLU 62 16.305 3.882 38. .332 1. .00 44.10 ATOM 574 OEI GLU 62 16.458 4.548 39. .381 1. .00 48.25 ATOM 575 OE2 GLU 62 17.251 3.579 37. .569 1. .00 44.87 ATOM 576 C GLU 62 12.688 3.162 35. .910 1. .00 23.10 87 ATOM 577 O GLU 62 -12.709 3.619 34.766 1.00 21.60 ATOM 578 N ARG 63 -12.721 1.862 36.180 1.00 24.50 ATOM 579 H ARG 63 -12.684 1.558 37.114 1.00 0.00 ATOM 580 CA ARG 63 -12.848 0.861 35.135 1.00 28.70 ATOM 581 CB ARG 63 -12.152 -0.437 35.547 1.00 31.42 ATOM 582 CG ARG 63 -12.177 -1.521 34.477 1.00 36.91 ATOM 583 CD ARG 63 -11.909 -2.885 35.079 1.00 40.57 ATOM 584 NE ARG 63 -12.927 -3.223 36.072 1.00 46.47 ATOM 585 HE ARG 63 -13.820 -2.825 35.972 1.00 0.00 ATOM 586 CZ ARG 63 -12.730 -4.030 37.111 1.00 47.98 ATOM 587 NHI ARG 63 -11.546 -4.600 37.306 1.00 48.36 ATOM 588 HH11 ARG 63 -10.792 -4.431 36.671 1.00 0.00 ATOM 589 HH12 ARG 63 -11.407 -5.204 38.089 1.00 0.00 ATOM 590 NH2 ARG 63 -13.714 -4.247 37.975 1.00 47.23 ATOM 591 HH21 ARG 63 -14.605 -3.810 37.847 1.00 0.00 ATOM 592 HH22 ARG 63 -13.559 -4.855 38.754 1.00 0.00 ATOM 593 C ARG 63 -14.332 0.590 34.944 1.00 28.52 ATOM 594 O ARG 63 -15.002 0.123 35.867 1.00 29.96 ATOM 595 N GLN 64 -14.851 0.931 33.771 1.00 29.71 ATOM 596 H GLN 64 -14.266 1.330 33.103 1.00 0.00 ATOM 597 CA GLN 64 -16.257 0.706 33.464 1.00 33.43 ATOM 598 CB GLN 64 -16.672 1.454 32.196 1.00 36.64 ATOM 599 CG GLN 64 -17.287 2.819 32.432 1.00 39.67 ATOM 600 CD GLN 64 -16.263 3.870 32.775 1.00 40.97 ATOM 601 OEI GLN 64 -16.145 4.290 33.929 1.00 42.60 ATOM 602 NE2 GLN 64 -15.511 4.307 31.774 1.00 41.46 ATOM 603 HE21 GLN 64 -15.640 3.928 30.878 1.00 0.00 ATOM 604 HE22 GLN 64 -14.861 4.992 32.008 1.00 0.00 ATOM 605 C GLN 64 -16.545 -0.778 33.279 1.00 35.62 ATOM 606 O GLN 64 -15.648 -1.570 32.982 1.00 35.48 ATOM 607 N LEU 65 -17.816 -1.133 33.412 1.00 38.38 ATOM 608 H LEU 65 -18.450 -0.436 33.661 1.00 0.00 ATOM 609 CA LEU 65 -18.268 -2.510 33.264 1.00 42.81 ATOM 610 CB LEU 65 -19.792 -2.583 33.418 1.00 47.54 ATOM 611 CG LEU 65 -20.691 -1.926 32.359 1.00 51.72 ATOM 612 CDl LEU 65 -22.145 -2.279 32.653 1.00 54.58 ATOM 613 CD2 LEU 65 -20.501 -0.410 32.318 1.00 51.28 ATOM 614 C LEU 65 -17.849 -3.137 31.934 1.00 43.23 ATOM 615 O LEU 65 -17.547 -4.327 31.873 1.00 44.38 - 88 ATOM 616 N ASN 66 -17.801 -2.329 30.879 1.00 42.92 ATOM 617 H ASN 66 •18 .004 -1 .382 30 .987 1 .00 0 .00 ATOM 618 CA ASN 66 ■ 17 .421 -2 .825 29 .559 1 .00 42 .31 ATOM 619 CB ASN 66 • 18 .052 -1 .973 28 .456 1 .00 45 .73 ATOM 620 CG ASN 66 • 17 .404 -0 .612 28 .327 1 .00 48 .82 ATOM 621 ODI ASN 66 • 16 .998 -0 .009 29 .321 1 .00 52 .33 ATOM 622 ND2 ASN 66 ■ 17 .292 -0 .124 27 .100 1 .00 52 .00 ATOM 623 HD21 ASN 66 ■ 17 .611 -0 .677 26 .357 1 .00 0 .00 ATOM 624 HD22 ASN 66 ■ 16 .904 0 .765 26 .986 1, .00 0, .00 ATOM 625 C ASN 66 ■ 15 .909 -2 .916 29 .346 1 .00 41, .37 ATOM 626 O ASN 66 ■ 15 .444 -3 .072 28 .215 1. .00 42, .54 ATOM 627 N GLY 67 ■ 15 .144 -2, .788 30 .425 1, .00 39. .06 ATOM 628 H GLY 67 ■ 15. .525 -2, .652 31, .316 1. .00 0. .00 ATOM 629 CA GLY 67 13. .700 -2, .884 30, .321 1. .00 35. .20 ATOM 630 C GLY 67 12 .924 -1, .642 29, .927 1. .00 31, .27 ATOM 631 O GLY 67 11, .718 -1. .728 29, .706 1. .00 32. .16 ATOM 632 N THR 68 13, .594 -0. .501 29, .801 1. .00 28. .74 ATOM 633 H THR 68 14. .552 -0. .492 29. .964 1. .00 0. ,00 ATOM 634 CA THR 68 12. .897 0. .732 29. .450 1. ,00 26. .00 ATOM 635 CB THR 68 13. .738 1. .639 28. .531 1. ,00 26. .73 ATOM 636 OG1 THR 68 14, .997 1. .940 29. .149 1. .00 28. .49 ATOM 637 HG1 THR 68 15. .528 1. .140 29. .220 1. .00 0. .00 ATOM 638 CG2 THR 68 13. .962 0. .970 27. .186 1. .00 27. .12 ATOM 639 C THR 68 12. .536 1. .480 30. .731 1. ,00 24. .27 ATOM 640 O THR 68 12. .941 1. ,075 31. .821 1. 00 23. .18 ATOM 641 N TYR 69 11. .769 2. .558 30. .600 1. ,00 22. .13 ATOM 642 H TYR 69 11. .499 2. .867 29. .726 1. ,00 0. .00 ATOM 643 CA TYR 69 11. .345 3. .355 31. .744 1. ,00 20. .20 ATOM 644 CB TYR 69 -9. .845 3. ,184 31. ,984 1. 00 17. .55 ATOM 645 CG TYR 69 -9. .452 1. ,783 32. ,360 1. 00 15. .74 ATOM 646 CDl TYR 69 -9. ,286 0. 801 31. ,386 1. 00 16. ,67 ATOM 647 CEI TYR 69 -8. .936 -0. ,501 31. .731 1. 00 18. .61 ATOM 648 CD2 TYR 69 -9. .256 1. ,433 33. ,693 1. ,00 15. .77 ATOM 649 CE2 TYR 69 -8. .905 0. ,138 34. ,050 1. 00 17. ,24 ATOM 650 CZ TYR 69 -8. .745 -0. 824 33. ,065 1. 00 18. ,54 ATOM 651 OH TYR 69 -8. ,389 -2. 102 33. ,417 1. 00 19. ,33 ATOM 652 HH TYR 69 -8. .332 -2. ,618 32. ,605 1. ,00 0. .00 ATOM 653 C TYR 69 11. .646 4. ,818 31. ,489 1. 00 20. .07 ATOM 654 O TYR 69 11. .509 5. ,296 30. ,360 1. 00 19. .19 89 ATOM 655 N ALA 70 • 12.038 5.538 32.534 1.00 20.74 ATOM 656 H ALA 70 12 .144 5 .122 33 .421 1 .00 0 .00 ATOM 657 CA ALA 70 ■ 12 .346 6 .951 32 .380 1 .00 22, .43 ATOM 658 CB ALA 70 ■ 13 .703 7 .123 31 .701 1 .00 20 .46 ATOM 659 C ALA 70 12 .333 7 .727 33 .683 1 .00 23, .77 ATOM 660 O ALA 70 12 .569 7 .169 34 .760 1, .00 23, .69 ATOM 661 N ILE 71 11 .975 9 .001 33 .573 1, .00 24, .06 ATOM 662 H ILE 71 11 .708 9 .364 32 .704 1. .00 0, .00 ATOM 663 CA ILE 71 11 .982 9 .909 34 .704 1, .00 24. .49 ATOM 664 CB ILE 71 11. .079 11, .134 34. .450 1. .00 23. .76 ATOM 665 CG2 ILE 71 11. .206 12. .132 35. .593 1. .00 23. .11 ATOM 666 CGI ILE 71 -9. .623 10. .691 34. .285 1. .00 22. .21 ATOM 667 CD ILE 71 -8. .669 11. .832 34. .009 1. .00 18. .51 ATOM 668 C ILE 71 13. .445 10. .346 34. .719 1. .00 26. .14 ATOM 669 O ILE 71 14. .057 10. .481 33. .659 1. .00 23. .83 ATOM 670 N ALA 72 14. .016 10. .525 35. .904 1. .00 29. .31 ATOM 671 H ALA 72 13. .481 10. .391 36. .712 1. .00 0. .00 ATOM 672 CA ALA 72 15. .417 10. .922 36. .026 1. ,00 33. .39 ATOM 673 CB ALA 72 15. .759 11. .228 37. .480 1. ,00 33. .93 ATOM 674 C ALA 72 15. .764 12. .113 35. .138 1. ,00 34. .98 ATOM 675 O ALA 72 15. .242 13. .212 35. .324 1. ,00 34. .89 ATOM 676 N GLY 73 16. .628 11. .874 34. .158 1. ,00 36. .34 ATOM 677 H GLY 73 16. .960 10. .963 34. .030 1. .00 0. .00 ATOM 678 CA GLY 73 17. .044 12. .932 33. .254 1. .00 36. .52 ATOM 679 C GLY 73 16. .171 13. .105 32. .025 1. .00 35. .63 ATOM 680 O GLY 73 16. .375 14. .032 31. .239 1. .00 37. .15 ATOM 681 N GLY 74 15. .201 12. .215 31. .852 1. .00 33. .13 ATOM 682 H GLY 74 15. .099 11. .459 32. .459 1. .00 0. .00 ATOM 683 CA GLY 74 14. .320 12. .301 30. .706 1. .00 32. .37 ATOM 684 C GLY 74 14. .561 11. .132 29, .782 1. .00 34. .04 ATOM 685 O GLY 74 15, .276 10. .191 30, .131 1. .00 34, .17 ATOM 686 N LYS 75 13. .954 11, .178 28, .604 1. .00 34, .83 ATOM 687 H LYS 75 13, .391 11, .953 28, .407 1, .00 0 .00 ATOM 688 CA LYS 75 14 .112 10, .109 27, .630 1, .00 35 .85 ATOM 689 CB LYS 75 13 .575 10, .550 26 .266 1 .00 40 .25 ATOM 690 CG LYS 75 14 .604 11 .333 25 .454 1 .00 48 .14 ATOM 691 CD LYS 75 13 .992 12 .101 24 .290 1 .00 53 .33 ATOM 692 CE LYS 75 13 .261 13, .349 24 .773 1 .00 57 .38 ATOM 693 NZ LYS 75 12 .808 14 .218 23 .647 1 .00 59 .74 90 ATOM 694 HZ1 LYS 75 -13.632 14.560 23.114 1.00 0.00 ATOM 695 HZ2 LYS 75 -12.192 13.677 23.006 1 .00 0 .00 ATOM 696 HZ3 LYS 75 -12.282 15.027 24.027 1 .00 0 .00 ATOM 697 C LYS 75 -13.461 8.807 28.082 1 .00 34 .24 ATOM 698 O LYS 75 -12.416 8.812 28.741 .00 33 .16 ATOM 699 N ALA 76 -14.114 7.695 27.767 1 .00 31 .87 ATOM 700 H ALA 76 -14.954 7.758 27.270 .00 0 .00 ATOM 701 CA ALA 76 -13.606 6.380 28.126 1 .00 31, .22 ATOM 702 CB ALA 76 -14.719 5.342 28.061 1 .00 30, .23 ATOM 703 C ALA 76 -12.479 6.005 27.179 1, .00 28, .77 ATOM 704 O ALA 76 -12.464 6.419 26.022 .00 30. .26 ATOM 705 N HIS 77 -11.525 5.237 27.683 .00 27, .21 ATOM 706 H HIS 77 -11.587 4.898 28.592 1. .00 0, .00 ATOM 707 CA HIS 77 -10.389 4.800 26.893 -, .00 27. .71 ATOM 708 CB HIS 77 -9.130 5.559 27.313 1. .00 27. .15 ATOM 709 CG HIS 77 -9.230 7.040 27.123 1. .00 28. .63 ATOM 710 CD2 HIS 77 -8.946 7.826 26.057 1. .00 27. .68 ATOM 711 NDI HIS 77 -9.699 7.888 28.105 1. .00 29. .85 ATOM 712 HD1 HIS 77 -10.027 7.624 28.994 1. .00 0. .00 ATOM 713 CEI HIS 77 -9.699 9.130 27.652 1. .00 28. .48 ATOM 714 NE2 HIS 77 -9.248 9.118 26.412 1. .00 29. .23 ATOM 715 HE2 HIS 77 -9.158 9.891 25.818 1. .00 0. .00 ATOM 716 C HIS 77 -10.236 3.302 27.118 1. .00 28. .88 ATOM 717 O HIS 77 -10.611 2.786 28.169 1. .00 27. .46 ATOM 718 N CYS 78 -9.703 2.599 26.128 1, .00 29. .61 ATOM 719 H CYS 78 -9.406 3.050 25.306 1. .00 0. .00 ATOM 720 CA CYS 78 -9.542 1.153 26.224 1. .00 30. .03 ATOM 721 CB CYS 78 -9.278 0.566 24.841 1. .00 34. .14 ATOM 722 SG CYS 78 -8.119 1.534 23.883 1. .00 44. .93 ATOM 723 C CYS 78 -8.489 0.668 27.211 1. .00 25. .84 ATOM 724 O CYS 78 -8.370 -0.530 27.443 1. .00 26. .98 ATOM 725 N GLY 79 -7.733 1.590 27.797 1. .00 23. .67 ATOM 726 H GLY 79 -7.837 2.542 27.613 1. .00 0. .00 ATOM 727 CA GLY 79 -6.714 1.202 28.754 1. .00 18. .52 ATOM 728 C GLY 79 -6.019 2.397 29.371 1. .00 18. .97 ATOM 729 O GLY 79 -6.128 3.513 28.854 1. .00 18. .14 ATOM 730 N PRO 80 -5.281 2.194 30.473 X . .00 18. .06 ATOM 731 CD PRO 80 -5.090 0.904 31.157 1. .00 18. .29 ATOM 732 CA PRO 80 -4.559 3.264 31.165 1. .00 17, .93 91 ATOM 733 CB PRO 80 -3.931 2.536 32.357 1.00 20.63 ATOM 734 CG PRO 80 3 .791 1 .121 31 .873 1 .00 19 .63 ATOM 735 C PRO 80 3 .510 3 .963 30 .289 1 .00 17 .24 ATOM 736 O PRO 80 3 .408 5 .190 30 .300 1 .00 14 .92 ATOM 737 N ALA 81 2 .757 3 .192 29 .510 1 .00 15 .32 ATOM 738 H ALA 81 2 .864 2 .214 29 .533 1 .00 0 .00 ATOM 739 CA ALA 81 1 .742 3 .776 28 .635 1 .00 15 .99 ATOM 740 CB ALA 81 0 .945 2 .682 27 .941 1 00 15 .92 ATOM 741 C ALA 81 2 .367 4 .713 27 600 1 .00 16 .17 ATOM 742 O ALA 81 1 .862 5 .810 27 363 1 00 15 .48 ATOM 743 N GLU 82 3 .481 4 .284 27 .009 1 00 18 46 ATOM 744 H GLU 82 3 .847 3 436 27 305 1 00 0 00 ATOM 745 CA GLU 82 4 188 5 066 25 994 1 00 18 23 ATOM 746 CB GLU 82 5 298 4 238 25 334 1 00 20 10 ATOM 747 CG GLU 82 4 808 3 159 24 372 1 00 25 98 ATOM 748 CD GLU 82 4 489 1 824 25 043 1 00 30 34 ATOM 749 OEI GLU 82 4 351 0 817 24 317 1 00 35 16 ATOM 750 OE2 GLU 82 4 382 1 763 26 284 1 00 30 98 ATOM 751 C GLU 82 4 780 6 333 26 591 1 00 17 53 ATOM 752 O GLU 82 4 855 7 368 25 928 1 00 15 66 ATOM 753 N LEU 83 5 199 6 244 27 846 1 00 16 88 ATOM 754 H LEU 83 5 136 5 386 28 316 1 00 0 00 ATOM 755 CA LEU 83 5 769 7 383 28 548 1 00 17 11 ATOM 756 CB LEU 83 6 359 6 929 29 888 1 00 17 19 ATOM 757 CG LEU 83 6 973 7 966 30 825 1 00 16 72 ATOM 758 CDl LEU 83 8 124 7 338 31 597 1 00 16 47 ATOM 759 CD2 LEU 83 5 907 8 526 31 766 1 00 15 85 ATOM 760 C LEU 83 4 694 8 454 28 742 1 00 17 05 ATOM 761 O LEU 83 4 927 9 632 28 462 1 00 17 29 ATOM 762 N CYS 84 3 506 8 039 29 167 1 00 16 35 ATOM 763 H CYS 84 3 372 7 082 29 354 1 00 0 00 ATOM 764 CA CYS 84 2 412 8 979 29 377 1 00 17 56 ATOM 765 CB CYS 84 1 265 8 308 30 129 1 00 16 45 ATOM 766 SG CYS 84 1 663 7 902 31 846 1 00 14 67 ATOM 767 C CYS 84 1 925 9 578 28 060 1 00 20 60 ATOM 768 O CYS 84 1 586 10 761 27 999 1 00 20 51 ATOM 769 N GLU 85 1 911 8 766 27 005 1 00 22 93 ATOM 770 H GLU 85 2 190 7 833 27 119 1 00 0 00 ATOM 771 CA GLU 85 1 486 9 218 25 680 1 00 23 .75 92 ATOM 772 CB GLU 85 -1.420 8.034 24.703 1.00 27.58 ATOM 773 CG GLU 85 -0 .364 6 .990 25 .079 1 .00 36 .56 ATOM 774 CD GLU 85 -0 .285 5 .806 24 .115 1 .00 40 .46 ATOM 775 OEI GLU 85 -1 .165 4 .919 24 .169 1 .00 38 .44 ATOM 776 OE2 GLU 85 0 .681 5 .751 23 .319 1 .00 46 .15 ATOM 777 C GLU 85 -2 .439 10 .298 25 .164 1 .00 23 .52 ATOM 778 O GLU 85 -2 .002 11 .304 24 .602 1 .00 23 .99 ATOM 779 N PHE 86 -3 .735 10 .109 25 .404 1 .00 23 .07 ATOM 780 H PHE 86 -4 .026 9 .296 25, .868 1, .00 0 .00 ATOM 781 CA PHE 86 -4 .758 11 .063 24 .981 1 .00 22 .06 ATOM 782 CB PHE 86 -6 .158 10 .499 25 .245 1 .00 23 .30 ATOM 783 CG PHE 86 -7 .265 11 .504 25 .064 1, .00 25, .88 ATOM 784 CDl PHE 86 -7 .693 11 .867 23, .795 1, .00 28, .15 ATOM 785 CD2 PHE 86 -7 .874 12 .093 26, .169 1. .00 27, .77 ATOM 786 CEI PHE 86 -8. .713 12, .803 23, .628 1. .00 30, .93 ATOM 787 CE2 PHE 86 -8 .892 13 .029 26. .015 1. .00 27. .23 ATOM 788 CZ PHE 86 -9 .314 13, .385 24. .742 1. .00 30. .08 ATOM 789 C PHE 86 -4, .609 12, .408 25. .679 1. .00 22. .18 ATOM 790 O PHE 86 -4, .657 13, .457 25. .032 1. .00 22. .09 ATOM 791 N TYR 87 -4, .438 12. .378 26. .998 1. .00 20. .74 ATOM 792 H TYR 87 -4, .421 11. .516 27. .464 1. .00 0. .00 ATOM 793 CA TYR 87 -4. .291 13. .604 27. .776 1. .00 20. .26 ATOM 794 CB TYR 87 -4. .562 13. .340 29. .250 1. .00 17. .65 ATOM 795 CG TYR 87 -6, .021 13. .088 29. .531 1. .00 19. .72 ATOM 796 CDl TYR 87 -6. .455 11. .844 29. .967 1. .00 20. .21 ATOM 797 CEI TYR 87 -7. .798 11. .603 30. .242 1. .00 25. .37 ATOM 798 CD2 TYR 87 -6. .970 14. .099 29. .371 1. .00 19. .83 ATOM 799 CΞ2 TYR 87 -8. .320 13. .873 29. .644 1. ,00 21. .99 ATOM 800 CZ TYR 87 -8. .727 12. .618 30. .081 1. .00 25. .65 ATOM 801 OH TYR 87 10. .052 12. .356 30. ,364 1. ,00 25. .64 ATOM 802 HH TYR 87 10. .057 11. .542 30. ,886 1. ,00 0. .00 ATOM 803 C TYR 87 -2. .967 14. .337 27. ,578 1. ,00 20. .79 ATOM 804 O TYR 87 -2. ,795 15. .458 28. .061 1. ,00 20. .79 ATOM 805 N SER 88 -2. .026 13. .691 26. ,895 1. ,00 24. .94 ATOM 806 H SER 88 -2. ,190 12. .769 26. ,608 1. ,00 0. .00 ATOM 807 CA SER 88 -0. ,737 14. .305 26. ,584 1. ,00 28. .11 ATOM 808 CB SER 88 0. .268 13. .249 26. .112 1. ,00 27. .90 ATOM 809 OG SER 88 0. .565 12. .303 27. .124 1. .00 35. .96 ATOM 810 HG SER 88 -0. .251 11. .986 27. .522 1. .00 0. .00 93 ATOM 811 C SER 0.989 15.288 25.443 1.00 29.72 ATOM 812 O SER 88 0 .360 16 .344 25 .361 1 .00 30 .51 ATOM 813 N ARG 89 1 .917 14 .924 24 .563 1 .00 31 17 ATOM 814 H ARG 89 2 .399 14 .082 24 .692 1 00 0 00 ATOM 815 CA ARG 89 2 .265 15 .750 23 .418 1 00 35 74 ATOM 816 CB ARG 89 2 .712 14 .874 22 .243 1 00 40 10 ATOM 817 CG ARG 89 1 .582 14 .360 21 .356 1 00 47 31 ATOM 818 CD ARG 89 0 .637 13 .443 22 .108 1 00 51 57 ATOM 819 NE ARG 89 0 .489 13 018 21 .281 1 00 54 95 ATOM 820 HE ARG 89 0 313 12 782 20 .344 1 00 0 00 ATOM 821 CZ ARG 89 1 742 12 918 21 719 1 00 56 98 ATOM 822 NHI ARG 89 2 039 13 215 22 980 1 00 56 68 ATOM 823 HH11 ARG 89 1 325 13 519 23 611 1 00 0 00 ATOM 824 HH12 ARG 89 2 982 13 141 23 303 1 00 0 00 ATOM 825 NH2 ARG 89 2 700 12 511 20 897 1 00 57 57 ATOM 826 HH21 ARG 89 2 477 12 279 19 950 1 00 0 00 ATOM 827 HH22 ARG 89 3 642 12 430 21 228 1 00 0 00 ATOM 828 C ARG 89 3 352 16 762 23 734 1 00 35 85 ATOM 829 O ARG 89 3 263 17 924 23 334 1 00 36 15 ATOM 830 N ASP 90 4 375 16 327 24 457 1 00 37 16 ATOM 831 H ASP 90 4 418 15 ^03 24 786 1 00 0 00 ATOM 832 CA ASP 90 5 484 17 206 24 793 1 00 38 14 ATOM 833 CB ASP 90 6 696 16 820 23 935 1 00 41 72 ATOM 834 CG ASP 90 7 849 17 796 24 064 1 00 45 64 ATOM 835 ODI ASP 90 9 005 17 364 23 872 1 00 49 81 ATOM 836 OD2 ASP 90 7 608 18 992 24 342 1 00 47 83 ATOM 837 C ASP 90 5 841 17 147 26 278 1 00 35 95 ATOM 838 O ASP 90 6 216 16 094 26 786 1 00 35 57 ATOM 839 N PRO 91 5 724 18 285 26 992 1 00 35 06 ATOM 840 CD PRO 91 5 220 19 578 26 497 1 00 34 31 ATOM 841 CA PRO 91 6 040 18 368 28 424 1 00 34 83 ATOM 842 CB PRO 91 5 934 19 865 28 705 1 00 33 84 ATOM 843 CG PRO 91 4 858 20 296 27 778 1 00 35 .60 ATOM 844 C PRO 91 7 .453 17 855 28 .705 1 00 34 .95 ATOM 845 O PRO 91 7 .685 17 165 29 .695 1 00 34 .91 ATOM 846 N ASP 92 8 .393 18 .245 27 .844 1 00 34 .68 ATOM 847 H ASP 92 8 .121 18 .822 27 .107 1 .00 0 .00 ATOM 848 CA ASP 92 9 .796 17 .837 27 .934 1 .00 34 .83 ATOM 849 CB ASP 92 9 .980 16 .465 27 .261 1 .00 38 .56 - 94 - ATOM 850 CG ASP 92 -11.441 16.132 26.973 1.00 43.08 ATOM 851 ODI ASP 92 -11.864 14.990 27.264 1.00 46.42 ATOM 852 OD2 ASP 92 -12.165 17.008 26.452 1.00 46.09 ATOM 853 C ASP 92 -10.380 17.841 29.358 1.00 33.28 ATOM 854 O ASP 92 -11.021 16.879 29.789 1.00 32.13 ATOM 855 N GLY 93 -10.165 18.939 30.078 1.00 32.19 ATOM 856 H GLY 93 -9.648 19.684 29.719 1.00 0.00 ATOM 857 CA GLY 93 ■ 10.691 19.042 31.428 1.00 30.80 ATOM 858 C GLY 93 -9.647 19.125 32.523 1.00 28.16 ATOM 859 O GLY 93 -9.932 19.620 33.614 1.00 29.26 ATOM 860 N LEU 94 -8.456 18.600 32.262 1.00 25.58 ATOM 861 H LEU 94 -8.292 18.164 31.399 1.00 0.00 ATOM 862 CA LEU 94 -7.380 18.642 33.244 1.00 25.19 ATOM 863 CB LEU 94 -6.266 17.654 32.867 1.00 23.59 ATOM 864 CG LEU 94 -6.578 16.165 32.692 1.00 21.25 ATOM 865 CDl LEU 94 -5.314 15.463 32.246 1.00 20.19 ATOM 866 CD2 LEU 94 -7.097 15.552 33.978 1.00 20.15 ATOM 867 C LEU 94 -6.813 20.064 33.290 1.00 27.14 ATOM 868 O LEU 94 -6.956 20.826 32.329 1.00 26.74 ATOM 869 N PRO 95 -6.160 20.439 34.407 1.00 27.36 ATOM 870 CD PRO 95 -5.991 19.647 35.637 1.00 27.79 ATOM 871 CA PRO 95 -5.571 21.774 34.568 1.00 27.68 ATOM 872 CB PRO 95 -5.025 21.736 35.999 1.00 28.71 ATOM 873 CG PRO 95 -4.772 20.274 36.244 1.00 28.16 ATOM 874 C PRO 95 -4.475 22.088 33.544 1.00 27.92 ATOM 875 O PRO 95 -4.074 23.245 33.386 1.00 28.39 ATOM 876 N CYS 96 -3.953 21.041 32.912 1.00 28.28 ATOM 877 H CYS 96 -4.241 20.128 33.129 1.00 0.00 ATOM 878 CA CYS 96 -2.917 21.145 31.884 1.00 27.50 ATOM 879 CB CYS 96 -1.596 21.666 32.467 1.00 27.76 ATOM 880 SG CYS 96 -0.775 20.589 33.668 1.00 30.21 ATOM 881 C CYS 96 -2.721 19.754 31.295 1.00 27.05 ATOM 882 O CYS 96 -3.133 18.762 31.899 1.00 28.24 ATOM 883 N ASN 97 -2.137 19.678 30.106 1.00 24.88 ATOM 884 H ASN 97 -1.807 20.482 29.650 1.00 0.00 ATOM 885 CA ASN 97 -1.903 18.386 29.473 1.00 24.53 ATOM 886 CB ASN 97 -1.602 18.556 27.980 1.00 26.26 ATOM 887 CG ASN 97 -0.321 19.321 27.727 1.00 27.29 ATOM 888 ODI ASN 97 -0.142 20.430 28.230 1.00 33.19 95 - ATOM 889 ND2 ASN 97 0.577 18.737 26.950 1.00 29.41 ATOM 890 HD21 ASN 97 0 .365 17 .861 26 .558 1 .00 0 .00 ATOM 891 HD22 ASN 97 1 .409 19 .221 26 .806 1 .00 0 .00 ATOM 892 C ASN 97 -0 .746 17 .667 30 .165 1 .00 23 .01 ATOM 893 O ASN 97 0 .075 18 .291 30 .847 1 .00 21 .65 ATOM 894 N LEU 98 -0 .691 16 .353 29 .992 1 .00 21 .64 ATOM 895 H LEU 98 -1 .373 15 .929 29 .433 1, .00 0 .00 ATOM 896 CA LEU 98 0 .359 15 .546 30 .594 1, .00 21, .20 ATOM 897 CB LEU 98 -0 .034 14, .069 30 .570 1, .00 17 .06 ATOM 898 CG LEU 98 -1, .357 13, .699 31, .251 1, .00 16, .71 ATOM 899 CDl LEU 98 -1. .549 12, .185 31, .223 1. .00 12, .58 ATOM 900 CD2 LEU 98 -1. .370 14, .216 32. .684 1. .00 14. .60 ATOM 901 C LEU 98 1. .684 15, .754 29. .867 1. .00 23. .86 ATOM 902 O LEU 98 1. .835 15. .360 28. .708 1. .00 26. .15 ATOM 903 N ARG 99 2. .630 16. .392 30. .549 1. .00 26. .16 ATOM 904 H ARG 99 2. .455 16. .653 31. .475 1. .00 0. .00 ATOM 905 CA ARG 99 3. .951 16. .674 29. .994 1. .00 28. .30 ATOM 906 CB ARG 99 4. .241 18. .177 30. .025 1. .00 26. .96 ATOM 907 CG ARG 99 3. .171 19. .070 29. .447 1. .00 30. .41 ATOM 908 CD ARG 99 3. .508 20. .526 29. .734 1. ,00 34. .41 ATOM 909 NE ARG 99 2. .427 21. .433 29. .355 1. ,00 38. .66 ATOM 910 HE ARG 99 1. .995 21. .299 28. .487 1. .00 0. .00 ATOM 911 CZ ARG 99 1. .982 22. .430 30. .116 1. ,00 41. .42 ATOM 912 NHI ARG 99 2. .521 22. .659 31. .307 1. ,00 44. .31 ATOM 913 HH11 ARG 99 3. .261 22. .076 31. .642 1. ,00 0. .00 ATOM 914 HH12 ARG 99 2. .176 23. .402 31. .880 1. .00 0. .00 ATOM 915 NH2 ARG 99 0. .991 23. .199 29. .685 1. ,00 42. .74 ATOM 916 HH21 ARG 99 0. .582 23. .034 28. .788 1. .00 0. .00 ATOM 917 HH22 ARG 99 0. .656 23. .950 30. .253 1. .00 0. .00 ATOM 918 C ARG 99 5. .022 15. .981 30. .827 1. .00 30. .19 ATOM 919 O ARG 99 5. .260 16. .353 31. .973 1. .00 35. .13 ATOM 920 N LYS 100 5. .682 14. .992 30. .245 1. .00 29. .39 ATOM 921 H LYS 100 5. .435 14. .728 29. .337 1. .00 0. .00 ATOM 922 CA LYS 100 6. .746 14. .275 30. .935 1. .00 27, .27 ATOM 923 CB LYS 100 7. .818 15. .244 31, .451 1. .00 28 .94 ATOM 924 CG LYS 100 9. .056 14, .548 31, .998 1, .00 38 .33 ATOM 925 CD LYS 100 10. .106 15, .539 32, .483 1, .00 43 .68 ATOM 926 CE LYS 100 11. .359 14, .824 32, .989 1 .00 45 .64 ATOM 927 NZ LYS 100 11, .077 13 .949 34 .166 1, .00 47 .84 96 ATOM 928 HZ1 LYS 100 10.401 13.212 33.886 1.00 0.00 ATOM 929 HZ2 LYS 100 10 .658 14 .516 34 .932 1 .00 0 .00 ATOM 930 HZ3 LYS 100 11 .961 13 .513 34 .494 1 .00 0 .00 ATOM 931 C LYS 100 6 .306 13 .355 32 .070 1 .00 23 .90 ATOM 932 O LYS 100 5 .879 13 .802 33 .136 1 .00 21 .73 ATOM 933 N PRO 101 6 .365 12 .043 31 .827 1 .00 20 .62 ATOM 934 CD PRO 101 6 .598 11 .395 30 .525 1 .00 19 .79 ATOM 935 CA PRO 101 5 .985 11 .063 32 .840 1 .00 18 .73 ATOM 936 CB PRO 101 5 .909 9 .762 32 .040 1 .00 20, .97 ATOM 937 CG PRO 101 6 .897 9 .978 30 .934 1 .00 22 .39 ATOM 938 C PRO 101 7 .058 10 .992 33 .923 1 .00 17, .30 ATOM 939 O PRO 101 8 .252 11 .122 33 .644 1 .00 16, .81 ATOM 940 N CYS 102 6 .633 10 .823 35 .165 1, .00 15, .53 ATOM 941 H CYS 102 5 .688 10 .683 35, .322 1. .00 0. .00 ATOM 942 CA CYS 102 7 .563 10 .720 36, .268 1, .00 13. .89 ATOM 943 CB CYS 102 6 .898 11, .178 37, .557 1. .00 13. .31 ATOM 944 SG CYS 102 7 .994 11, .195 38, .960 1. .00 16. .63 ATOM 945 C CYS 102 7, .929 9, .245 36. .344 1. .00 14. .55 ATOM 946 O CYS 102 7. .358 8. .488 37. .130 1. .00 15. .10 ATOM 947 N ASN 103 8. .853 8. .834 35. .485 1. ,00 14. .85 ATOM 948 H ASN 103 9. .232 9. .505 34. .875 1. ,00 0. .00 ATOM 949 CA ASN 103 9. .283 7. .440 35. .421 1. .00 15. .80 ATOM 950 CB ASN 103 10. .196 7. .218 34. .212 1. ,00 16. .28 ATOM 951 CG ASN 103 9. .503 7. .509 32. .896 1. 00 15. .02 ATOM 952 ODI ASN 103 8. .353 7. .121 32. .679 1. ,00 16. .41 ATOM 953 ND2 ASN 103 10. .196 8. .205 32. .013 1. 00 20. .99 ATOM 954 HD21 ASN 103 11. .100 8. .507 32. .225 1. ,00 0. .00 ATOM 955 HD22 ASN 103 9. .759 8. .409 31. ,149 1. 00 0. ,00 ATOM 956 C ASN 103 9. ,966 6. ,941 36. ,688 1. 00 17. ,75 ATOM 957 O ASN 103 10. ,709 7. ,676 37. ,341 1. 00 17. ,16 ATOM 958 N ARG 104 9. ,699 5. ,684 37. 027 1. 00 16. ,96 ATOM 959 H ARG 104 9. ,110 5. ,152 36. ,460 1. 00 0. .00 ATOM 960 CA ARG 104 10. ,274 5. ,054 38. ,207 1. 00 19. .38 ATOM 961 CB ARG 104 9. ,781 3. ,610 38. 330 1. 00 19. ,40 ATOM 962 CG ARG 104 8. ,431 3. ,450 38. ,999 1. 00 17. .82 ATOM 963 CD ARG 104 8. 002 1. 999 39. 007 1. 00 17. ,65 ATOM 964 NE ARG 104 7. ,520 1. .576 37. ,696 1. 00 26. .48 ATOM 965 HE ARG 104 6. 667 1. 930 37. 380 1. 00 0. ,00 ATOM 966 CZ ARG 104 8. 170 0. 759 36. 874 1. 00 25. ,18 97 ATOM 967 NHI ARG 104 9.350 0.260 37.213 1.00 29.12 ATOM 968 HH11 ARG 104 9 .760 0 .484 38 .095 1 .00 0 .00 ATOM 969 HHl2 ARG 104 9 .829 -0 .357 36 .586 1 .00 0, .00 ATOM 970 NH2 ARG 104 7 .628 0 .429 35 .712 1, .00 30, .66 ATOM 971 HH21 ARG 104 6 .735 0 .803 35, .464 1, .00 0, .00 ATOM 972 HH22 ARG 104 8, .101 -0 .194 35, .088 1, .00 0, .00 ATOM 973 C ARG 104 11, .796 5 .059 38, .163 1, .00 23. .50 ATOM 974 O ARG 104 12, .395 4, .746 37, .133 1. .00 23. .54 ATOM 975 N PRO 105 12. .440 5, .453 39. .273 1. .00 27. .13 ATOM 976 CD PRO 105 11. .847 5, .983 40. .512 1. .00 29. .49 ATOM 977 CA PRO 105 13. .902 5, .487 39. .341 1. .00 29. .70 ATOM 978 CB PRO 105 14. .160 5. .980 40. .760 1. .00 30. .41 ATOM 979 CG PRO 105 12. .960 6. .824 41. .053 1. .00 31. .24 ATOM 980 C PRO 105 14. .429 4. .070 39. .163 1. .00 32. .78 ATOM 981 O PRO 105 13. .750 3. .103 39. .517 1. .00 33. .65 ATOM 982 N SER 106 15. .631 3. .946 38. .613 1. .00 36. .54 ATOM 983 H SER 106 16. .143 4. .736 38. .342 1. .00 0. ,00 ATOM 984 CA SER 106 16. .241 2. .638 38. .393 1. ,00 37. ,78 ATOM 985 CB SER 106 17. .652 2. .810 37. .829 1. ,00 40. ,86 ATOM 986 OG SER 106 17. .637 3. .643 36. .680 1. ,00 45. ,12 ATOM 987 HG SER 106 17. .148 3. .214 35. .971 1. ,00 0. ,00 ATOM 988 C SER 106 16. .282 1. .840 39. .697 1. .00 37. ,20 ATOM 989 O SER 106 16. .701 2. .350 40. .741 1. .00 37. .55 ATOM 990 N GLY 107 15. .808 0. .601 39. .636 1. .00 36. .08 ATOM 991 H GLY 107 15. .421 0. .264 38. .806 1. .00 0. .00 ATOM 992 CA GLY 107 15. .794 -0. .239 40. .817 1. .00 35. .61 ATOM 993 C GLY 107 14. .462 -0. .209 41. .544 1. .00 34. .68 ATOM 994 O GLY 107 14. .281 -0. .921 42. .532 1. .00 37. .59 ATOM 995 N LEU 108 13. .536 0. .621 41. .071 1. .00 31. .21 ATOM 996 H LEU 108 13. .708 1. .194 40, .292 1. .00 0, .00 ATOM 997 CA LEU 108 12. .219 0. .719 41. .683 1. .00 29. .48 ATOM 998 CB LEU 108 11. .828 2. .184 41. .901 1. .00 31. .06 ATOM 999 CG LEU 108 10. .439 2. .415 42. .506 1. .00 33. .10 ATOM 1000 CDl LEU 108 10. .341 1. .718 43. .849 1. .00 35, .40 ATOM 1001 CD2 LEU 108 10, .173 3. .897 42, .660 1, .00 34 .68 ATOM 1002 C LEU 108 11, .201 0, .036 40, .786 1 .00 28 .12 ATOM 1003 O LEU 108 11, .107 0, .337 39 .600 1 .00 27 .81 ATOM 1004 N GLU 109 10 .463 -0 .908 41 .353 1 .00 27 .83 ATOM 1005 H GLU 109 10 .572 -1 .085 42 .309 1 .00 0 .00 98 ATOM 1006 CA GLU 109 9.448 -1.644 40.612 1.00 26.64 ATOM 1007 CB GLU 109 9 .663 -3 .151 40 .801 1 .00 33 .21 ATOM 1008 CG GLU 109 11 .066 -3 .653 40 .433 1 .00 42 .25 ATOM 1009 CD GLU 109 11 .373 -3 .558 38 .940 1 .00 48 .40 ATOM 1010 OEI GLU 109 11 .182 -4 .568 38 .228 1 .00 52 .92 ATOM 1011 OE2 GLU 109 11 .821 -2 .485 38 .479 1 .00 51 .82 ATOM 1012 C GLU 109 8 .080 -1 .236 41 .156 1 .00 23 .58 ATOM 1013 O GLU 109 7 .989 -0 .648 42 .241 1 .00 23 .49 ATOM 1014 N PRO 110 7 .002 -1 .480 40 .389 1 .00 19 .24 ATOM 1015 CD PRO 110 6 .918 -1 .981 39 .007 1 .00 16, .22 ATOM 1016 CA PRO 110 5 .678 -1 .103 40 .896 1, .00 16, .34 ATOM 1017 CB PRO 110 4 .753 -1 .406 39 .715 1, .00 14, .78 ATOM 1018 CG PRO 110 5, .496 -2, .439 38, .930 1, .00 18. .83 ATOM 1019 C PRO 110 5, .337 -1, .920 42, .144 1, .00 16. .63 ATOM 1020 O PRO 110 5, .600 -3, .119 42, .202 1. .00 16. .68 ATOM 1021 N GLN 111 4, .803 -1, .245 43. .155 1. .00 16. .60 ATOM 1022 H GLN 111 4, .634 -0, .287 43. .041 1. .00 0. .00 ATOM 1023 CA GLN 111 4. .447 -1, .869 44. .425 1. .00 16. .91 ATOM 1024 CB GLN 111 4. .206 -0. .774 45. .469 1. .00 21. .09 ATOM 1025 CG GLN 111 3. .892 -1. .263 46. .873 1. .00 29. .38 ATOM 1026 CD GLN 111 5. .096 -1. .852 47. .581 1. .00 35. .11 ATOM 1027 OEI GLN 111 6. .224 -1. .390 47. .404 1. .00 39. .80 ATOM 1028 NE2 GLN 111 4. .863 -2. .881 48. .389 1. .00 39. .14 ATOM 1029 HE21 GLN 111 3. .934 -3. .187 48. .464 1. .00 0. .00 ATOM 1030 HE22 GLN 111 5. .625 -3. .267 48. .862 1. ,00 0. .00 ATOM 1031 C GLN 111 3. .220 -2. .778 44. .329 1. ,00 15. .31 ATOM 1032 O GLN 111 2. ,161 -2. .358 43. .856 1. ,00 12. .08 ATOM 1033 N PRO 112 3. ,356 -4. .052 44. .738 1. ,00 16. .34 ATOM 1034 CD PRO 112 4. ,563 -4. .760 45. .201 1. ,00 15. .65 ATOM 1035 CA PRO 112 2. ,207 -4. .961 44. ,676 1. ,00 16. .29 ATOM 1036 CB PRO 112 2. .831 -6. .322 44. .999 1. .00 17. .56 ATOM 1037 CG PRO 112 3. .981 -5. .966 45. .896 1. ,00 18. .96 ATOM 1038 C PRO 112 1. .162 -4. .553 45. .716 1. ,00 13. .47 ATOM 1039 O PRO 112 1. ,510 -4. .094 46. .810 1. ,00 12. .01 ATOM 1040 N GLY 113 -0. ,110 -4. .671 45. .348 1. ,00 14. .46 ATOM 1041 H GLY 113 -0. .338 -5. .036 44. .467 1. ,00 0. .00 ATOM 1042 CA GLY 113 -1. ,184 -4. .317 46. .256 1. ,00 14. .99 ATOM 1043 C GLY 113 -1. ,504 -5. .450 47. .212 1. ,00 15. .75 ATOM 1044 O GLY 113 -1. ,523 -6. .625 46. .827 1. ,00 15. .37 99 - ATOM 1045 N VAL 114 -1.735 -5.107 48.471 .00 13, .61 ATOM 1046 H VAL 114 -1 .698 -4 .160 48 .725 1 .00 0, .00 ATOM 1047 CA VAL 114 -2. .060 -6 .104 49 .472 1, .00 12, .01 ATOM 1048 CB VAL 114 -2 .103 -5 .481 50 .884 1, .00 11, .85 ATOM 1049 CGI VAL 114 -2, .511 -6 .519 51, .915 1, .00 11. .29 ATOM 1050 CG2 VAL 114 -0 .738 -4. .914 51, .236 1, .00 11. .92 ATOM 1051 C VAL 114 -3, .386 -6 .787 49, .134 1. .00 11. .03 ATOM 1052 O VAL 114 -3, .474 -8 .014 49, .197 1. .00 11. .50 ATOM 1053 N PHE 115 -4. .389 -6, .012 48. .721 1. .00 10. .78 ATOM 1054 H PHE 115 -4, .259 -5 .036 48, .674 1, .00 0. .00 ATOM 1055 CA PHE 115 -5, .698 -6 .580 48, .382 1. .00 11. .16 ATOM 1056 CB PHE 115 -6, .701 -5, .485 48, .003 1. .00 9, .84 ATOM 1057 CG PHE 115 -8. .145 -5, .914 48. .109 1. .00 10, .03 ATOM 1058 CDl PHE 115 -8, .517 -6, .981 48, .927 1. .00 7, .64 ATOM 1059 CD2 PHE 115 -9, .136 -5, .237 47. .409 1. .00 11. .26 ATOM 1060 CEI PHE 115 -9, .852 -7, .364 49. .044 1. .00 9, .24 ATOM 1061 CE2 PHE 115 10. .475 -5, .615 47. .520 1. .00 10. .69 ATOM 1062 CZ PHE 115 10. .830 -6. .676 48. .338 1. .00 9. .26 ATOM 1063 C PHE 115 -5. .598 -7. .604 47. .255 1. ,00 11. .82 ATOM 1064 O PHE 115 -6. .187 -8. .678 47. .338 1. ,00 12. .23 ATOM 1065 N ASP 116 -4. .853 -7. .262 46. .207 1. ,00 12. .76 ATOM 1066 H ASP 116 -4. .437 -6. .379 46. .194 1. ,00 0. .00 ATOM 1067 CA ASP 116 -4. .649 -8. .154 45. .062 1. ,00 13. .21 ATOM 1068 CB ASP 116 -3. .735 -7. .493 44. .019 1. ,00 15. .79 ATOM 1069 CG ASP 116 -4. .448 -6. .435 43. .187 1. ,00 18, .80 ATOM 1070 ODI ASP 116 -5. .617 -6. .109 43. .476 1. ,00 22. .22 ATOM 1071 OD2 ASP 116 -3. .831 -5. .933 42. .227 1. .00 23. .70 ATOM 1072 C ASP 116 -4. .001 -9. .448 45. .534 1. .00 12. .02 ATOM 1073 O ASP 116 -4. .399 -10. .547 45. .137 1. .00 12. .26 ATOM 1074 N CLE 117 -3. .004 -9. .295 46. .395 1. .00 12, .55 ATOM 1075 H CLE 117 -2. .749 -8. .387 46. .652 1. .00 0, .00 ATOM 1076 CA CLE 117 -2. .267 -10. .413 46. .952 1. .00 15, .65 ATOM 1077 CB CLE 117 -1. .156 -9. .892 47. .847 1. .00 16, .88 ATOM 1078 SG CLE 117 0. .032 -11. .145 48. .309 1. .00 24, .55 ATOM 1079 B CLE 117 1. .502 -9. .640 49. .805 1. .20 27, .84 ATOM 1080 C CLE 117 -3. .171 -11. .348 47, .746 1. .00 17 .48 ATOM 1081 O CLE 117 -3. .040 -12, .573 47, .655 1. .00 18 .50 ATOM 1082 N LEU 118 -4, .077 -10 .772 48 .533 1. .00 16 .22 ATOM 1083 H LEU 118 -4 .145 -9 .793 48 .594 1 .00 0 .00 - 100 - SUBSTITUTE SHEET (RULE 25) ATOM 1084 CA LEU 118 -5.004 -11.564 49.333 1.00 15.66 ATOM 1085 CB LEU 118 -5.621 -10.727 50.458 1.00 15.67 ATOM 1086 CG LEU 118 -4.653 -10.113 51.472 1.00 20.69 ATOM 1087 CDl LEU 118 -5.420 -9.697 52.717 1.00 25.46 ATOM 1088 CD2 LEU 118 -3.561 -11.107 51.840 1.00 26.35 ATOM 1089 C LEU 118 -6.107 -12.191 48.484 1.00 15.77 ATOM 1090 O LEU 118 -6.496 -13.339 48.718 1.00 15.49 ATOM 1091 N ARG 119 -6.603 -11.452 47.495 1.00 14.72 ATOM 1092 H ARG 119 -6.276 -10.543 47.372 1.00 0.00 ATOM 1093 CA ARG 119 -7.654 -11.971 46.624 1.00 16.75 ATOM 1094 CB ARG 119 -8.187 -10.900 45.672 1.00 14.68 ATOM 1095 CG ARG 119 -8.923 -9.767 46.355 1.00 17.93 ATOM 1096 CD ARG 119 -9.927 -9.104 45.426 1.00 20.84 ATOM 1097 NE ARG 119 -9.383 -8.767 44.110 1.00 26.76 ATOM 1098 HE ARG 119 -9.540 -9.392 43.371 1.00 0.00 ATOM 1099 CZ ARG 119 -8.678 -7.672 43.837 1.00 29.78 ATOM 1100 NHI ARG 119 -8.412 -6.790 44.789 1.00 31.04 ATOM 1101 HH11 ARG 119 -8.728 -6.943 45.724 1.00 0.00 ATOM 1102 HH12 ARG 119 -7.872 -5.976 44.576 1.00 0.00 ATOM 1103 NH2 ARG 119 -8.256 -7.447 42.600 1.00 32.50 ATOM 1104 HH21 ARG 119 -8.466 -8.097 41.867 1.00 0.00 ATOM 1105 HH22 ARG 119 -7.723 -6.624 42.397 1.00 0.00 ATOM 1106 C ARG 119 -7.161 -13.164 45.823 1.00 18.07 ATOM 1107 O ARG 119 -7.940 -14.053 45.491 1.00 21.21 ATOM 1108 N AS? 120 -5.870 -13.188 45.514 1.00 17.45 ATOM 1109 H AS? 120 -5.289 -12.442 45.768 1.00 0.00 ATOM 1110 CA AS? 120 -5.294 -14.298 44.766 1.00 17.83 ATOM llll CB AS? 120 -3.790 -14.087 44.576 1.00 22.04 ATOM 1112 CG AS? 120 -3.118 -15.265 43.903 1.00 23.22 ATOM 1113 ODI AS? 120 -3.371 -15.490 42.702 1.00 26.00 ATOM 1114 OD2 AS? 120 -2.341 -15.969 44.581 1.00 27.30 ATOM 1115 C AS? 120 -5.544 -15.602 45.515 1.00 16.21 ATOM 1116 O AS? 120 -6.080 -16.554 44.953 1.00 14.21 ATOM 1117 N ALA 121 -5.192 -15.614 46.798 1.00 13.03 ATOM 1118 H ALA 121 -4.782 -14.809 47.181 1.00 0.00 ATOM 1119 CA ALA 121 -5.366 -16.787 47.647 1.00 13.21 ATOM 1120 CB ALA 121 -4.778 -16.523 49.029 1.00 11.07 ATOM 1121 C ALA 121 -6.825 -17.220 47.773 1.00 11.40 ATOM 1122 O ALA 121 -7.132 -18.415 47.772 1.00 11.87 101 ATOM 1123 N SEM 122 -7.721 -16.248 47.885 1.00 9.79 ATOM 1124 H SEM 122 -7 .400 -15 .319 47 .872 1 .00 0 .00 ATOM 1125 CA SEM 122 -9 .141 -16 .521 48 .025 1 .00 9 .76 ATOM 1126 CB SEM 122 -9 .884 -15 .251 48 .433 1 .00 12 .08 ATOM 1127 CG SEM 122 -9 .471 -14 .699 49 .790 1 .00 17 .34 ATOM 1128 A SEM 122 ■ 10 .315 -12 .991 50 .177 1 .00 20 .79 ATOM 1129 CE SEM 122 -9 .148 -12 .427 51, .564 1 .00 22, .20 ATOM 1130 C SEM 122 -9 .752 -17, .115 46, .762 1, .00 10, .01 ATOM 1131 O SEM 122 ■10 .609 -17, .995 46, .844 1, .00 11, .95 ATOM 1132 N VAL 123 -9 .329 -16, .627 45, .600 1, .00 10, .94 ATOM 1133 H VAL 123 -8 .673 -15, .894 45, .592 1, .00 0, .00 ATOM 1134 CA VAL 123 -9, .836 -17, .140 44. .333 1. .00 12. .22 ATOM 1135 CB VAL 123 -9, .371 -16. .272 43. .134 1. .00 13. .58 ATOM 1136 CGI VAL 123 -9, .759 -16. .926 41. .810 1. .00 15. .25 ATOM 1137 CG2 VAL 123 10, .003 -14. .894 43. .220 1. .00 13. .81 ATOM 1138 C VAL 123 -9. .367 -18. .583 44. .165 1. .00 11. .57 ATOM 1139 O VAL 123 10. .145 -19. .454 43. .786 1. .00 15, .13 ATOM 1140 N ARG 124 -8, .105 -18. .843 44. .489 1. .00 13. .03 ATOM 1141 H ARG 124 -7, .519 -18. .104 44. .781 1. .00 0. .00 ATOM 1142 CA ARG 124 -7, .559 -20. .192 44. .384 1. .00 15. .09 ATOM 1143 CB ARG 124 -6. .089 -20. .219 44. .804 1. .00 19. .47 ATOM 1144 CG ARG 124 -5. .177 -19. .326 43. .978 1. .00 29. .40 ATOM 1145 CD ARG 124 -3. .720 -19. .503 44. .389 1. .00 34. .85 ATOM 1146 NE ARG 124 -3. .238 -20. .849 44. .085 1. .00 39. .82 ATOM 1147 HE ARG 124 -3. .340 -21. .538 44. ,777 1. .00 0. .00 ATOM 1148 CZ ARG 124 -2. .669 -21. .201 42. .934 1. .00 40. .38 ATOM 1149 NHI ARG 124 -2. .497 -20. .304 41. ,967 1. .00 40. .47 ATOM 1150 HH11 ARG 124 -2. .791 -19. .357 42. .092 1. .00 0. .00 ATOM 1151 HH12 ARG 124 -2. .060 -20. .584 41. .111 1. .00 0. .00 ATOM 1152 NH2 ARG 124 -2. .295 -22. .461 42. .740 1. .00 39. .07 ATOM 1153 HH21 ARG 124 -2. .439 -23. .141 43. .460 1. .00 0, .00 ATOM 1154 HH22 ARG 124 -1. .862 -22. .734 41. .883 1. .00 0, .00 ATOM 1155 C ARG 124 -8. .356 -21. .143 45. .271 1. .00 13, .87 ATOM 1156 O ARG 124 -8. .776 -22. .210 44. .829 1. .00 11, .56 ATOM 1157 N ASP 125 -8, .581 -20. .738 46. .517 1. .00 13, .96 ATOM 1158 H ASP 125 -8, .214 -19. .874 46. .802 1. .00 0, .00 ATOM 1159 CA ASP 125 -9, .333 -21. .554 47. .464 1. .00 14, .81 ATOM 1160 CB ASP 125 -9, .308 -20. .925 48. .861 1. .00 18, .19 ATOM 1161 CG ASP 125 -9, .967 -21. .807 49. .908 1. .00 20, .88 102 - ATOM 1162 ODI ASP 125 ■ 10.978 -21.373 50.496 1.00 26.61 ATOM 1163 OD2 ASP 125 -9 .482 -22 .937 50 .135 1 .00 20 .43 ATOM 1164 C ASP 125 10 .770 -21 .783 46 .996 1 .00 13 .18 ATOM 1165 O ASP 125 11 .287 -22 .894 47 .097 1 .00 14 .12 ATOM 1166 N TYR 126 11 .407 -20 .747 46 .463 1 .00 12 .51 ATOM 1167 H TYR 126 10 .954 -19 .881 46 .429 1 .00 0 .00 ATOM 1168 CA TYR 126 12 .773 -20 .879 45 .958 1 .00 14 .80 ATOM 1169 CB TYR 126 13 .310 -19 .525 45 .483 1 .00 16 .19 ATOM 1170 CG TYR 126 14 .764 -19 .552 45 .050 1 .00 19 .94 ATOM 1171 CDl TYR 126 15 .789 -19 .431 45 .984 1 00 22 56 ATOM 1172 CEI TYR 126 17 .129 -19 .440 45 .595 1 00 25 33 ATOM 1173 CD2 TYR 126 15 .115 -19 .687 43 705 1 00 21 52 ATOM 1174 CE2 TYR 126 16 453 -19 699 43 304 1 00 22 94 ATOM 1175 CZ TYR 126 17 456 -19 573 44 256 1 00 24 54 ATOM 1176 OH TYR 126 18 781 -19 560 43 871 1 00 25 75 ATOM 1177 HH TYR 126 19 331 -19 523 44 667 1 00 0 00 ATOM 1178 C TYR 126 12 825 -21 880 44 799 1 00 14 74 ATOM 1179 O TYR 126 13 666 -22 779 44 779 1 00 12 46 ATOM 1180 N VAL 127 11 917 -21 723 43 838 1 00 14 94 ATOM 1181 H VAL 127 11 265 -21 000 43 917 1 00 0 00 ATOM 1182 CA VAL 127 11 865 -22 608 42 679 1 00 15 31 ATOM 1183 CB VAL 127 10 846 -22 100 41 628 1 00 16 12 ATOM 1184 CGI VAL 127 10 675 -23 120 40 506 1 00 14 89 ATOM 1185 CG2 VAL 127 11 320 -20 766 41 050 1 00 14 29 ATOM 1186 C VAL 127 11 554 -24 049 43 086 1 00 15 31 ATOM 1187 O VAL 127 12 166 -24 991 42 577 1 00 14 57 ATOM 1188 N ARG 128 10 640 -24 213 44 036 1 00 15 60 ATOM 1189 H ARG 128 10 202 -23 424 44 413 1 00 0 00 ATOM 1190 CA ARG 128 10 265 -25 536 44 519 1 00 18 18 ATOM 1191 CB ARG 128 -9 071 -25 435 45 464 1 00 20 53 ATOM 1192 CG ARG 128 -8 535 -26 774 45 921 1 00 26 43 ATOM 1193 CD ARG 128 -7 466 -26 610 46 986 1 00 31 14 ATOM 1194 NE ARG 128 -6 274 -25 919 46 494 1 00 32 88 ATOM 1195 HE ARG 128 -5 736 -26 363 45 803 1 00 0 00 ATOM 1196 CZ ARG 128 -5 882 -24 719 46 911 1 00 33 15 ATOM 1197 NHI ARG 128 -6 592 -24 062 47 822 1 00 33 64 ATOM 1198 HH11 ARG 128 -7 423 -24 475 48 195 1 00 0 00 ATOM 1199 HHl2 ARG 128 -6 310 -23 161 48 136 1. 00 0 00 ATOM 1200 NH2 ARG 128 -4 754 -24 197 46 451 1 00 31 81 103 ATOM 1201 HH21 ARG 128 -4.207 -24.708 45.789 1.00 0..00 ATOM 1202 HH22 ARG 128 -4 .451 -23 .298 46 .770 1, .00 0. .00 ATOM 1203 C ARG 128 -11, .439 -26 .220 45 .228 1, .00 19. .96 ATOM 1204 O ARG 128 -11, .724 -27 .386 44, .980 1, .00 20. .08 ATOM 1205 N GLN 129 -12, .136 -25 .485 46, .087 1, .00 21. .86 ATOM 1206 H GLN 129 -11, .861 -24, .558 46, .234 1. .00 0. .00 ATOM 1207 CA GLN 129 -13, .278 -26, .040 46, .812 1. .00 24. .92 ATOM 1208 CB GLN 129 -13. .783 -25, .056 47, .875 1. .00 27. .32 ATOM 1209 CG GLN 129 -12, .763 -24, .641 48, .919 1. .00 38. .13 ATOM 1210 CD GLN 129 -12. .195 -25. .806 49. .700 1. .00 43. .53 ATOM 1211 OEI GLN 129 -10. .983 -25. .900 49. .895 1. ,00 49. ,52 ATOM 1212 NE2 GLN 129 -13. .066 -26. .693 50. .167 1. ,00 46. ,67 ATOM 1213 HE21 GLN 129 -14. .022 -26. .565 50. .000 1. .00 0. ,00 ATOM 1214 HE22 GLN 129 -12. .673 -27. .439 50. .665 1. 00 0. ,00 ATOM 1215 C GLN 129 -14. .444 -26. .388 45. .887 1. ,00 22. ,91 ATOM 1216 O GLN 129 -15. .075 -27. .427 46. .040 1. ,00 25. ,98 ATOM 1217 N THR 130 -14. .745 -25. .500 44. .950 1. ,00 21. .09 ATOM 1218 H THR 130 -14. .243 -24. .663 44. .875 1. ,00 0. ,00 ATOM 1219 CA THR 130 -15. .858 -25. .700 44. .036 1. ,00 20. .03 ATOM 1220 CB THR 130 -16. .267 -24. .365 43. .386 1. ,00 21. .01 ATOM 1221 OG1 THR 130 -16. .598 -23. .426 44. .415 1. ,00 24. .86 ATOM 1222 HG1 THR 130 -17. .447 -23. .676 44. .803 1. ,00 0. .00 ATOM 1223 CG2 THR 130 -17. .471 -24. .545 42. .470 1. ,00 18. .89 ATOM 1224 C THR 130 -15. .639 -26. .749 42. .951 1. ,00 20. .64 ATOM 1225 O THR 130 -16. .476 -27. .634 42. .771 1. ,00 21. .45 ATOM 1226 N TRP 131 -14. .524 -26. .660 42. .234 1. .00 18. .24 ATOM 1227 H TRP 131 -13. .871 -25. .958 42. .438 1. .00 0. .00 ATOM 1228 CA TRP 131 -14. .248 -27, .599 41. .147 1. .00 18. .29 ATOM 1229 CB TRP 131 -13. .573 -26, .873 39, .976 1. .00 17, .75 ATOM 1230 CG TRP 131 -14. .368 -25, .715 39, .462 1. .00 18, .23 ATOM 1231 CD2 TRP 131 -15. .316 -25, .731 38. .385 1. .00 20, .51 ATOM 1232 CE2 TRP 131 -15, .833 -24, .419 38, .265 1, .00 19, .78 ATOM 1233 CE3 TRP 131 -15, .781 -26 .722 37 .510 1, .00 20 .37 ATOM 1234 CDl TRP 131 -14, .349 -24 .433 39 .935 1, .00 18 .07 ATOM 1235 NEI TRP 131 -15 .225 -23 .651 39 .223 1 .00 19 .62 ATOM 1236 HEI TRP 131 -15 .376 -22 .692 39 .377 1 .00 0 .00 ATOM 1237 CZ2 TRP 131 -16 .793 -24 .073 37 .305 1 .00 18 .47 ATOM 1238 CZ3 TRP 131 -16 .737 -26 .376 36 .553 1 .00 19 .44 ATOM 1239 CH2 TRP 131 -17 .230 -25 .062 36 .460 1 .00 19 .54 104 ATOM 1240 C TRP 131 -13.434 -28.831 41.539 1.00 17.51 ATOM 1241 O TRP 131 -13 .250 -29 .734 40 .718 1 .00 17 .01 ATOM 1242 N LYS 132 -12 .956 -28 .863 42 .783 1 .00 17 .08 ATOM 1243 H LYS 132 -13 .131 -28 .128 43 .405 1 .00 0 .00 ATOM 1244 CA LYS 132 -12 .155 -29 .977 43 .300 1 .00 21 .35 ATOM 1245 CB LYS 132 -13 .010 -31 .246 43 .476 1 .00 22 .55 ATOM 1246 CG LYS 132 -13 .864 -31 .290 44 .741 1 .00 27 .05 ATOM 1247 CD LYS 132 -15 .049 -30 .351 44 .661 1 .00 28 .94 ATOM 1248 CE LYS 132 -15. .917 -30. .429 45 .909 1 .00 27, .71 ATOM 1249 NZ LYS 132 -15 .176 -30 .035 47 .141 1 .00 28 .94 ATOM 1250 HZ1 LYS 132 -14 .777 -29 .086 47 .010 1 .00 0 .00 ATOM 1251 HZ2 LYS 132 -14 .398 -30 .705 47 .312 1 .00 0 .00 ATOM 1252 HZ3 LYS 132 -15 .821 -30 .030 47 .956 1, .00 0, .00 ATOM 1253 C LYS 132 -10. .952 -30 .279 42 .410 1, .00 21, .09 ATOM 1254 O LYS 132 -10 .616 -31. .441 42 .177 1, .00 22, .12 ATOM 1255 N LEU 133 -10, .311 -29, .227 41 .915 1, .00 22. .01 ATOM 1256 H LEU 133 -10, .601 -28, .334 42, .179 1. .00 0. .00 ATOM 1257 CA LEU 133 -9, .152 -29. .376 41, .044 1. .00 24. .78 ATOM 1258 CB LEU 133 -9. .266 -28. .439 39. .841 1. .00 24. .76 ATOM 1259 CG LEU 133 -10. .384 -28. .729 38. .840 1. .00 23. .74 ATOM 1260 CDl LEU 133 -10. .423 -27. .640 37, .792 1. .00 18. .82 ATOM 1261 CD2 LEU 133 -10. .168 -30. .093 38. .197 1. .00 20. .87 ATOM 1262 C LEU 133 -7. .851 -29. .107 41. .782 1. .00 26. .48 ATOM 1263 O LEU 133 -7. .844 -28. .489 42. .843 1. ,00 26. .77 ATOM 1264 N GLU 134 -6. .745 -29. .561 41. .204 1. ,00 31. .08 ATOM 1265 H GLU 134 -6. .783 -30. .056 40. .359 1. ,00 0. ,00 ATOM 1266 CA GLU 134 -5. .436 -29. .365 41. ,810 1. ,00 36. .68 ATOM 1267 CB GLU 134 -5. .146 -30. ,478 42. .821 1. ,00 42. .39 ATOM 1268 CG GLU 134 -4. .135 -30. ,097 43. ,901 1. 00 50. ,47 ATOM 1269 CD GLU 134 -4. .605 -28. ,933 44. ,762 1. 00 54. ,00 ATOM 1270 OEI GLU 134 -3. .922 -27. 885 44. ,772 1. 00 56. ,35 ATOM 1271 OE2 GLU 134 -5. ,658 -29. 065 45. 426 1. 00 55. ,94 ATOM 1272 C GLU 134 -4. ,369 -29. 349 40. 720 1. 00 36. 98 ATOM 1273 O GLU 134 -4. ,655 -29. 660 39. 559 1. 00 37. ,05 ATOM 1274 N GLY 135 -3. 156 -28. 946 41. 087 1. 00 37. 39 ATOM 1275 H GLY 135 -3. 008 -28. 662 42. 009 1. 00 0. 00 ATOM 1276 CA GLY 135 -2. 062 -28. 894 40. 133 1. 00 38. 80 ATOM 1277 C GLY 135 -2. ,340 -27. 998 38. 941 1. 00 39. 61 ATOM 1278 O GLY 135 -3. 038 -26. 986 39. 062 1. 00 40. 95 105 - ATOM 1279 N GLU 136 -1.816 -28.385 37.781 1.00 38.99 ATOM 1280 H GLU 136 1 .290 -29 .209 37 .748 1 .00 0 .00 ATOM 1281 CA GLU 136 1 .999 -27 .616 36 .553 1 .00 38 .69 ATOM 1282 CB GLU 136 1 .244 -28 .259 35 .386 1 .00 43 .51 ATOM 1283 CG GLU 136 0 .134 -27 .652 35 .129 1 .00 51 .02 ATOM 1284 CD GLU 136 0 .073 -26 .157 34 .827 1 .00 54 .54 ATOM 1285 OEI GLU 136 0 .533 -25 .357 35 .672 1 .00 54 76 ATOM 1286 OE2 GLU 136 0 .437 -25 .783 33 .746 1 .00 57 49 ATOM 1287 C GLU 136 3 .454 -27 .403 36 .172 1 00 35 47 ATOM 1288 O GLU 136 3 795 -26 386 35 .564 1 00 33 83 ATOM 1289 N ALA 137 4 304 -28 367 36 .514 1 00 32 94 ATOM 1290 H ALA 137 3 975 -29 157 36 985 1 00 0 00 ATOM 1291 CA ALA 137 5 729 -28 268 36 215 1 00 31 07 ATOM 1292 CB ALA 137 6 440 -29 556 36 605 1 00 31 83 ATOM 1293 C ALA 137 6 314 -27 079 36 976 1 00 27 50 ATOM 1294 O ALA 137 7 031 -26 257 36 405 1 00 29 33 ATOM 1295 N LEU 138 5 963 -26 973 38 254 1 00 24 80 ATOM 1296 H LEU 138 5 350 -27 643 38 627 1 00 0 00 ATOM 1297 CA LEU 138 6 435 -25 884 39 097 1 00 23 90 ATOM 1298 CB LEU 138 5 909 -26 053 40 520 1 00 21 92 ATOM 1299 CG LEU 138 6 161 -24 920 41 514 1 00 21 33 ATOM 1300 CDl LEU 138 7 648 -24 709 41 716 1 00 22 45 ATOM 1301 CD2 LEU 138 5 493 -25 252 42 830 1 00 21 62 ATOM 1302 C LEU 138 5 932 -24 573 38 527 1 00 26 43 ATOM 1303 O LEU 138 6 686 -23 611 38 401 1 00 25 96 ATOM 1304 N GLU 139 4 649 -24 550 38 179 1 00 30 25 ATOM 1305 H GLU 139 4 110 -25 355 38 336 1 00 0 00 ATOM 1306 CA GLU 139 4 003 -23 373 37 610 1 00 32 41 ATOM 1307 CB GLU 139 2 546 -23 690 37 274 1 00 34 88 ATOM 1308 CG GLU 139 1 524 -22 848 38 024 1 00 40 02 ATOM 1309 CD GLU 139 1 489 -23 111 39 524 1 00 42 46 ATOM 1310 OEI GLU 139 2 188 -24 025 40 014 1 00 46 36 ATOM 1311 OE2 GLU 139 0 743 -22 394 40 220 1 00 44 75 ATOM 1312 C GLU 139 4 726 -22 880 36 363 1 00 33 95 ATOM 1313 O GLU 139 4 906 -21 679 36 181 1 00 33 01 ATOM 1314 N GLN 140 5 130 -23 808 35 500 1 00 36 05 ATOM 1315 H GLN 140 4 957 -24 758 35 685 1 00 0 00 ATOM 1316 CA GLN 140 5 845 -23 446 34 280 1 00 38 93 ATOM 1317 CB GLN 140 6 008 -24 660 33 356 1 00 43 55 106 - ATOM 1318 CG GLN 140 -4.703 -25.295 32.911 1.00 50.09 ATOM 1319 CD GLN 140 -3 .702 -24 .272 32 .420 1 .00 54 .44 ATOM 1320 OEI GLN 140 -3 .865 -23 .688 31 .347 1 .00 57 .43 ATOM 1321 NE2 GLN 140 -2 .662 -24 .039 33 .212 1 .00 54 .84 ATOM 1322 HE21 GLN 140 -2 .611 -24 .543 34 .051 1 .00 0 .00 ATOM 1323 HE22 GLN 140 -2 .010 -23 .377 32 .911 1 .00 0 .00 ATOM 1324 C GLN 140 -7 .220 -22 .895 34 .633 1 .00 37 .85 ATOM 1325 O GLN 140 -7 .643 -21 .865 34 .106 1 .00 38 .61 ATOM 1326 N ALA 141 -7 .904 -23 .581 35 .543 1 .00 35 .28 ATOM 1327 H ALA 141 -7 .494 -24 .378 35 .939 1, .00 0, .00 ATOM 1328 CA ALA 141 -9 .238 -23 .188 35 .974 1, .00 33, .81 ATOM 1329 CB ALA 141 -9 .806 -24 .218 36 .930 1, .00 33, .21 ATOM 1330 C ALA 141 -9 .297 -21 .796 36. .598 1. .00 33, .71 ATOM 1331 O ALA 141 10, .220 -21 .034 36 .308 1. .00 33, .79 ATOM 1332 N ILE 142 -8 .321 -21 .452 37 .436 1. .00 34. .36 ATOM 1333 H ILE 142 -7 .602 -22, .089 37, .625 1. .00 0, .00 ATOM 1334 CA ILE 142 -8, .324 -20, .137 38, .069 1. .00 35, .58 ATOM 1335 CB ILE 142 -7, .237 -19, .979 39, .178 1. .00 37. .48 ATOM 1336 CG2 ILE 142 -7, .376 -21. .080 40. .221 1. .00 36. .69 ATOM 1337 CGI ILE 142 -5. .833 -19. .991 38. .580 1. ,00 40. .54 ATOM 1338 CD ILE 142 -4. .736 -19. .774 39. .600 1. .00 41. .71 ATOM 1339 C ILE 142 -8. .189 -19. .035 37. .027 1. ,00 35. .75 ATOM 1340 O ILE 142 -8. .807 -17, .985 37. .156 1. ,00 36. .45 ATOM 1341 N ILE 143 -7. .421 -19. .288 35. .974 1. ,00 36. .98 ATOM 1342 H ILE 143 -6. .962 -20. .154 35. .905 1. ,00 0. .00 ATOM 1343 CA ILE 143 -7. .244 -18. .299 34. .917 1. ,00 39. .87 ATOM 1344 CB ILE 143 -6. .211 -18. .782 33. .846 1. ,00 40. .93 ATOM 1345 CG2 ILE 143 -6. ,582 -18. .283 32. .451 1. ,00 39. ,88 ATOM 1346 CGI ILE 143 -4. .804 -18. .288 34. .195 1. 00 41. .89 ATOM 1347 CD ILE 143 -4. .260 -18. .790 35. .509 1. 00 44. .53 ATOM 1348 C ILE 143 -8. .592 -17. .996 34. .266 1. 00 41. .03 ATOM 1349 O ILE 143 -8. .953 -16. .835 34. .073 1. ,00 43. .88 ATOM 1350 N SER 144 -9. .349 -19. .046 33. .977 1. ,00 41. .09 ATOM 1351 H SER 144 -9. .002 -19. .948 34. .145 1. ,00 0. .00 ATOM 1352 CA SER 144 10. .652 -18. .908 33. .345 1. ,00 42. .72 ATOM 1353 CB SER 144 11. .084 -20. .261 32. .786 1. ,00 43. .70 ATOM 1354 OG SER 144 10. .009 -20. .876 32. .098 1. ,00 48. .58 ATOM 1355 HG SER 144 10. ,277 -21. ,685 31. .660 1. 00 0. .00 ATOM 1356 C SER 144 11. ,740 -18. .364 34. .274 1. 00 42. ,64 107 ATOM 1357 O SER 144 -12.612 -17.606 33.845 1.00 43.71 ATOM 1358 N GLN 145 -11.692 -18.756 35.543 1 .00 42.82 ATOM 1359 H GLN 145 -10.944 -19.324 35.823 1 .00 0.00 ATOM 1360 CA GLN 145 -12.691 -18.335 36.520 1 .00 42.48 ATOM 1361 CB GLN 145 -12.879 -19.419 37.585 1. .00 43.50 ATOM 1362 CG GLN 145 -13.600 -20.664 37.092 1. .00 46.68 ATOM 1363 CD GLN 145 -15.042 -20.391 36.708 1. .00 49.02 ATOM 1364 OEI GLN 145 -15.882 -20.086 37.562 1. .00 49.76 ATOM 1365 NE2 GLN 145 -15.341 -20.506 35.419 1. .00 48.88 ATOM 1366 HE21 GLN 145 -14.639 -20.764 34.792 1. .00 0.00 ATOM 1367 HE22 GLN 145 -16.274 -20.325 35.164 1. .00 0.00 ATOM 1368 C GLN 145 -12.442 -16.996 37.204 1. .00 41.52 ATOM 1369 O GLN 145 -13.393 -16.275 37.503 1. .00 42.42 ATOM 1370 N ALA 146 -11.175 -16.657 37.423 1. .00 41.08 ATOM 1371 H ALA 146 -10.480 -17.248 37.094 1. .00 0.00 ATOM 1372 CA ALA 146 -10.786 -15.418 38.102 1. .00 42.09 ATOM 1373 CB ALA 146 -9.305 -15.113 37.861 1. .00 43.64 ATOM 1374 C ALA 146 -11.638 -14.178 37.818 1. .00 42.22 ATOM 1375 O ALA 146 -12.169 -13.570 38.748 1. .00 40.36 ATOM 1376 N PRO 147 -11.807 -13.801 36.535 1. 00 42.75 ATOM 1377 CD PRO 147 -11.279 -14.419 35.303 1. 00 42.03 ATOM 1378 CA PRO 147 -12.614 -12.617 36.213 1. 00 42.24 ATOM 1379 CB PRO 147 -12.433 -12.486 34.699 1. 00 42.92 ATOM 1380 CG PRO 147 -12.233 -13.908 34.258 1. 00 42.35 ATOM 1381 C PRO 147 -14.092 -12.720 36.595 1. 00 41.91 ATOM 1382 O PRO 147 -14.694 -11.741 37.039 1. 00 43.04 ATOM 1383 N GLN 148 -14.656 -13.915 36.452 1. 00 42.14 ATOM 1384 H GLN 148 -14.092 -14.663 36.166 1. 00 0.00 ATOM 1385 CA GLN 148 -16.065 -14.164 36.753 1. 00 41.99 ATOM 1386 CB GLN 148 -16.476 -15.527 36.191 1. 00 46.02 ATOM 1387 CG GLN 148 -16.113 -15.735 34.728 1. 00 52.36 ATOM 1388 CD GLN 148 -16.424 -17.140 34.245 1. 00 56.58 ATOM 1389 OEI GLN 148 -17.548 -17.624 34.391 1. 00 60.22 ATOM 1390 NE2 GLN 148 -15.426 -17.805 33.673 1. 00 57.78 ATOM 1391 HE21 GLN 148 -14.538 -17.383 33.597 1. 00 0.00 ATOM 1392 HE22 GLN 148 -15.637 -18.697 33.339 1. 00 0.00 ATOM 1393 C GLN 148 -16.403 -14.109 38.246 1. 00 40.35 ATOM 1394 O GLN 148 -17.445 -13.576 38.643 1. 00 42.32 ATOM 1395 N VAL 149 -15.530 -14.677 39.070 1. 00 35.77 - 108 ATOM 1396 H VAL 149 -14.725 -15.083 38.684 1.00 0.00 ATOM 1397 CA VAL 149 -15.747 -14.705 40.512 1.00 30.92 ATOM 1398 CB VAL 149 -15.297 -16.056 41.116 1.00 29.67 ATOM 1399 CGI VAL 149 -16.047 -17.195 40.452 1.00 31.16 ATOM 1400 CG2 VAL 149 -13.798 -16.245 40.942 1.00 27.34 ATOM 1401 C VAL 149 -15.034 -13.569 41.242 1.00 29.41 ATOM 1402 0 VAL 149 -15.112 -13.469 42.466 1.00 25.93 ATOM 1403 N GLU 150 -14.375 -12.697 40.485 1.00 29.98 ATOM 1404 H GLU 150 -14.357 -12.827 39.513 1.00 0.00 ATOM 1405 CA GLU 150 -13.627 -11.574 41.049 1.00 32.17 ATOM 1406 CB GLU 150 -13.075 -10.693 39.922 1.00 38.43 ATOM 1407 CG GLU 150 -11.690 -10.097 40.191 1.00 47.19 ATOM 1408 CD GLU 150 -10.566 -11.124 40.092 1.00 51.56 ATOM 1409 OEI GLU 150 -9.728 -10.999 39.171 1.00 53.66 ATOM 1410 OE2 GLU 150 -10.512 -12.052 40.930 1.00 54.50 ATOM 1411 C GLU 150 -14.431 -10.720 42.038 1.00 29.05 ATOM 1412 O GLU 150 -14.033 -10.555 43.192 1.00 25.94 ATOM 1413 N LYS 151 -15.565 -10.195 41.582 1.00 27.58 ATOM 1414 H LYS 151 -15.817 -10.387 40.655 1.00 0.00 ATOM 1415 CA LYS 151 -16.432 -9.358 42.406 1.00 25.61 ATOM 1416 CB LYS 151 -17.655 -8.926 41.590 1.00 29.92 ATOM 1417 CG LYS 151 -18.689 -8.102 42.352 1.00 36.35 ATOM 1418 CD LYS 151 -18.247 -6.660 42.574 1.00 42.81 ATOM 1419 CE LYS 151 -18.173 -5.880 41.266 1.00 47.01 ATOM 1420 NZ LYS 151 -17.791 -4.452 41.481 1.00 51.50 ATOM 1421 HZ1 LYS 151 -16.880 -4.410 41.984 1.00 0.00 ATOM 1422 HZ2 LYS 151 -18.521 -3.974 42.046 1.00 0.00 ATOM 1423 HZ3 LYS 151 -17.696 -3.973 40.563 1.00 0.00 ATOM 1424 C LYS 151 -16.886 -10.100 43.656 1.00 23.86 ATOM 1425 O LYS 151 -16.864 -9.553 44.761 1.00 21.86 ATOM 1426 N LEU 152 -17.288 -11.352 43.468 1.00 22.21 ATOM 1427 H LEU 152 -17.238 -11.726 42.566 1.00 0.00 ATOM 1428 CA LEU 152 -17.768 -12.195 44.556 1.00 20.16 ATOM 1429 CB LEU 152 -18.151 -13.579 44.008 1.00 24.21 ATOM 1430 CG LEU 152 -18.970 -14.587 44.830 1.00 28.31 ATOM 1431 CDl LEU 152 -18.079 -15.648 45.449 1.00 30.35 ATOM 1432 CD2 LEU 152 -19.813 -13.875 45.883 1.00 31.40 • ATOM 1433 C LEU 152 -16.736 -12.305 45.681 1.00 18.41 ATOM 1434 0 LEU 152 -17.049 -12.034 .46.839 1.00 17.53 - 109 ATOM 1435 N ILE 153 15.501 -12.650 45.333 1.00 15.66 ATOM 1436 H ILE 153 15 .300 -12 .822 44 .388 1 .00 0 .00 ATOM 1437 CA ILE 153 14 .445 -12 .782 46 .327 1 .00 14 .50 ATOM 1438 CB ILE 153 13 .169 -13 .439 45 .728 1 .00 14 .50 ATOM 1439 CG2 ILE 153 11 .944 -13 .093 46 .556 1 .00 13 04 ATOM 1440 CGI ILE 153 13 .311 -14 .966 45 .702 1 00 18 16 ATOM 1441 CD ILE 153 14 .378 -15 489 44 .791 1 00 18 78 ATOM 1442 C ILE 153 14 .102 -11 446 46 .986 1 00 14 37 ATOM 1443 O ILE 153 13 .967 -11 377 48 .209 1 00 13 54 ATOM 1444 N ALA 154 14 018 -10 386 46 187 1 00 13 14 ATOM 1445 H ALA 154 14 184 -10 504 45 232 1 00 0 00 ATOM 1446 CA ALA 154 13 681 -9 052 46 693 1 00 15 23 ATOM 1447 CB ALA 154 13 464 -8 088 45 530 1 00 12 01 ATOM 1448 C ALA 154 14 690 -8 462 47 685 1 00 14 41 ATOM 1449 O ALA 154 14 309 -7 939 48 740 1 00 12 98 ATOM 1450 N THR 155 15 973 -8 553 47 366 1 00 14 48 ATOM 1451 H THR 155 16 254 -8 987 46 535 1 00 0 00 ATOM 1452 CA THR 155 16 989 -7 997 48 250 1 00 16 73 ATOM 1453 CB THR 155 18 355 -7 861 47 542 1 00 18 64 ATOM 1454 OG1 THR 155 18 794 -9 139 47 073 1 00 18 35 ATOM 1455 HG1 THR 155 18 242 -9 431 46 333 1 00 0 00 ATOM 1456 CG2 THR 155 18 239 -6 912 46 361 1 00 21 11 ATOM 1457 C THR 155 17 152 -8 754 49 567 1 00 18 25 ATOM 1458 O THR 155 17 628 -8 191 50 556 1 00 19 74 ATOM 1459 THR 156 16 690 -10 000 49 608 1 00 16 51 ATOM 1460 :-: THR 156 16 290 -10 405 48 811 1 00 0 00 ATOM 1461 CA THR 156 16 816 -10 803 50 816 1 00 16 53 ATOM 1462 CB THR 156 17 514 -12 151 50 491 1 00 18 06 ATOM 1463 OG1 THR 156 17 884 -12 806 51 710 1 00 29 31 ATOM 1464 HG1 THR 156 17 083 -13 066 52 183 1 00 0 00 ATOM 1465 CG2 THR 156 16 601 -13 057 49 683 1 00 11 43 ATOM 1466 C THR 156 15 502 -11 024 51 584 1 00 15 .34 ATOM 1467 O THR 156 15 .498 -11 642 52 653 1 00 13 .11 ATOM 1468 N ALA 157 14 .406 -10 461 51 .076 1 00 13 .94 ATOM 1469 lj ALA 157 14 .471 -9 981 50 .225 1 00 0 .00 ATOM 1470 CA ALA 157 13 .086 -10 594 51 .696 1 00 13 .07 ATOM 1471 CB ALA 157 12 043 -9 841 50 878 1 00 9 .00 ATOM 1472 C ALA 157 13 .006 -10 169 53 .163 1 00 13 .45 ATOM 1473 O ALA 157 12 .221 -10 725 53 .930 1 00 13 .99 110 ATOM 1474 N HIS 158 -13.805 -9.180 53.549 1.00 12.36 ATOM 1475 H HIS 158 -14.354 -8.762 52.857 1.00 0.00 ATOM 1476 CA HIS 158 -13.809 -8.685 54.925 1.00 13.60 ATOM 1477 CB HIS 158 -14.763 -7.495 55.061 1.00 13.48 ATOM 1478 CG HIS 158 -16.195 -7.824 54.759 1.00 12.57 ATOM 1479 CD2 HIS 158 -17.222 -8.159 55.574 1.00 7.29 ATOM 1480 NDI HIS 158 -16.705 -7.830 53.479 1.00 12.96 ATOM 1481 HD1 HIS 158 -16.243 -7.591 52.643 1.00 0.00 ATOM 1482 CEI HIS 158 -17.984 -8.158 53.516 1.00 9.68 ATOM 1483 NE2 HIS 158 -18.321 -8.364 54.776 1.00 10.23 ATOM 1484 HE2 HIS 158 -19.222 -8.640 55.059 1.00 0.00 ATOM 1485 C HIS 158 -14.173 -9.752 55.957 1.00 13.56 ATOM 1486 O HIS 158 -13.696 -9.718 57.085 1.00 12.70 ATOM 1487 N GLU 159 -14.999 -10.709 55.551 1.00 16.31 ATOM 1488 H GLU 159 -15.284 -10.757 54.616 1.00 0.00 ATOM 1489 CA GLU 159 -15.451 -11.779 56.434 1.00 21.01 ATOM 1490 CB GLU 159 -16.550 -12.589 55.749 1.00 21.32 ATOM 1491 CG GLU 159 -17.756 -11.749 55.365 1.00 26.36 ATOM 1492 CD GLU 159 -18.864 -12.541 54.710 1.00 30.62 ATOM 1493 OEI GLU 159 -18.718 -13.769 54.541 1.00 36.67 ATOM 1494 OE2 GLU 159 -19.892 -11.925 54.360 1.00 36.45 ATOM 1495 C GLU 159 -14.354 -12.715 56.930 1.00 23.45 ATOM 1496 O GLU 159 -14.571 -13.489 57.868 1.00 26.52 ATOM 1497 N ARG 160 -13.178 -12.631 56.316 1.00 23.94 ATOM 1498 H ARG 160 -13.026 -11.977 55.608 1.00 0.00 ATOM 1499 CA ARG 160 -12.052 -13.481 56.682 1.00 24.21 ATOM 1500 CB ARG 160 -11.340 -13.972 55.419 1.00 26.28 ATOM 1501 CG ARG 160 -12.276 -14.488 54.342 1.00 29.92 ATOM 1502 CD ARG 160 -11.522 -15.319 53.331 1.00 35.32 ATOM 1503 NE ARG 160 -10.957 -16.502 53.971 1.00 38.70 ATOM 1504 HE ARG 160 -10.355 -16.364 54.730 1.00 0.00 ATOM 1505 CZ ARG 160 -11.186 -17.749 53.578 1.00 41.35 ATOM 1506 NHI ARG 160 -11.965 -17.989 52.530 1.00 41.68 ATOM 1507 HH11 ARG 160 -12.388 -17.232 52.035 1.00 0.00 ATOM 1508 HHl2 ARG 160 -12.144 -18.927 52.235 1.00 0.00 ATOM 1509 NH2 ARG 160 -10.669 -18.759 54.266 1.00 43.07 ATOM 1510 HH21 ARG 160 -10.108 -18.586 55.074 1.00 0.00 ATOM 1511 HH22 ARG 160 -10.839 -19.698 53.968 1.00 0.00 ATOM 1512 C ARG 160 -11.046 -12.749 57.562 1.00 23.53 - 1 11 ATOM 1513 O ARG 160 •10.110 -13.355 58.090 1.00 23.47 ATOM 1514 N SEM 161 ■ 11 .239 -11 .444 57 .716 1 .00 21 .32 ATOM 1515 H SEM 161 ■ 12 .039 -11 .020 57 .353 1 .00 0 .00 ATOM 1516 CA SEM 161 ■ 10 .329 -10 .623 58 .501 1 .00 18 .41 ATOM 1517 CB SEM 161 •10 .334 -9 .192 57 .963 1 .00 18, .20 ATOM 1518 CG SEM 161 •10 .002 -9 .089 56 .474 1 .00 17, .50 ATOM 1519 A SEM 161 -8 .302 -9 .909 56, .033 1, .00 19, .57 ATOM 1520 CE SEM 161 -7 .032 -8 .759 56, .813 1, .00 18. .11 ATOM 1521 C SEM 161 ■ 10 .665 -10, .643 59, .990 1. .00 16. .60 ATOM 1522 O SEM 161 11 .834 -10, .647 60. .370 1. .00 17. .62 ATOM 1523 N PRO 162 -9 .635 -10, .613 60. .850 1. .00 16. .11 ATOM 1524 CD PRO 162 -8 .216 -10, .576 60. .459 1. .00 17. .97 ATOM 1525 CA PRO 162 -9, .766 -10. .629 62. .314 1. .00 17. .72 ATOM 1526 CB PRO 162 -8, .326 -10, .423 62. .779 1. .00 17. .28 ATOM 1527 CG PRO 162 -7 .530 -11. .077 61. .704 1. .00 19. .86 ATOM 1528 C PRO 162 10, .669 -9, .526 62. .867 1. .00 18. .86 ATOM 1529 O PRO 162 11. .363 -9. .716 63. ,869 1. ,00 17. ,42 ATOM 1530 N TRP 163 10. .633 -8. .368 62. .215 1. ,00 18. ,22 ATOM 1531 H TRP 163 10. .058 -8. .304 61. .429 1. ,00 0. 00 ATOM 1532 CA TRP 163 11. .419 -7. ,214 62. ,634 1. ,00 14. ,35 ATOM 1533 CB TRP 163 10. .816 -5. .914 62. ,076 1. 00 12. ,07 ATOM 1534 CG TRP 163 10. .401 -5. .950 60. .614 1. ,00 11. .68 ATOM 1535 CD2 TRP 163 11. .256 -5. .810 59. .471 1. ,00 10. .99 ATOM 1536 CE2 TRP 163 10. .426 -5. .805 58. .326 1. ,00 11. .80 ATOM 1537 CE3 TRP 163 12. .641 -5. .682 59. .303 1. .00 12. .54 ATOM 1538 CDl TRP 163 -9. .124 -6. .034 60. .126 1. ,00 10. .94 ATOM 1539 NEI TRP 163 -9. .133 -5. .941 58. .754 1. ,00 12. .98 ATOM 1540 HEI TRP 163 -8, .326 -5. .895 58. .178 1. .00 0. .00 ATOM 1541 CZ2 TRP 163 10. .938 -5. .674 57. .030 1. .00 11. .75 ATOM 1542 CZ3 TRP 163 13. .151 -5. .550 58. .012 1. .00 15. .49 ATOM 1543 CH2 TRP 163 12. .299 -5. .548 56. .894 1. .00 11. .88 ATOM 1544 C TRP 163 12. .915 -7. .278 62. .354 1. .00 13. .04 ATOM 1545 O TRP 163 13. .662 -6. .417 62. .816 1. .00 14. .42 ATOM 1546 N TYR 164 13. .363 -8. .280 61. .607 1. .00 13. .04 ATOM 1547 H TYR 164 12. .770 -8. .981 61. .266 1. .00 0 .00 ATOM 1548 CA TYR 164 14, .783 -8. .400 61. .317 1. .00 14 .03 ATOM 1549 CB TYR 164 15, .034 -8, .901 59, .893 1, .00 11 .45 ATOM 1550 CG TYR 164 16, .502 -8, .909 59, .522 1, .00 10 .45 ATOM 1551 CDl TYR 164 17 .209 -7 .717 59 .384 1 .00 11 .63 112 ATOM 1552 CEI TYF. 164 -18.568 -7.714 59.062 1.00 11.94 ATOM 1553 CD2 TYR 164 -17.189 -10.107 59.326 1.00 11.28 ATOM 1554 CE2 TYR 164 -18.543 -10.114 59.002 1.00 12.61 ATOM 1555 CZ TYR 164 -19.225 -8.917 58.873 1.00 13.23 ATOM 1556 OH TYR 164 -20.563 -8.923 58.556 1.00 18.84 ATOM 1557 HH TYR 164 -20.907 -8.037 58.691 1.00 0.00 ATOM 1558 C TYR 164 -15.466 -9.327 62.311 1.00 14.87 ATOM 1559 0 TYR 164 -15.013 -10.447 62.538 1.00 15.57 ATOM 1560 N HIS 165 -16.552 -8.846 62.908 1.00 15.89 ATOM 1561 H HIS 165 -16.875 -7.950 62.663 1.00 0.00 ATOM 1562 CA HIS 165 -17.315 -9.622 63.878 1.00 17.82 ATOM 1563 CB HIS 165 -17.376 -8.902 65.231 1.00 18.47 ATOM 1564 CG HIS 165 -16.045 -8.762 65.910 1.00 16.54 ATOM 1565 CD2 HIS 165 -14.915 -8.114 65.538 1.00 14.16 ATOM 1566 NDI HIS 165 -15.776 -9.320 67.142 1.00 14.58 ATOM 1567 HD1 HIS 165 -16.276 -9.959 67.702 1.00 0.00 ATOM 1568 CEI HIS 165 -14.541 -9.018 67.500 1.00 15.81 ATOM 1569 NE2 HIS 165 -13.997 -8.289 66.543 1.00 15.66 ATOM 1570 HE2 HIS 165 -13.064 -8.031 66.556 1.00 0.00 ATOM 1571 C HIS 165 -18.713 -9.820 63.321 1.00 18.44 ATOM 1572 O HIS 165 -19.497 -8.876 63.238 1.00 19.84 ATOM 1573 N SER 166 -19.007 -11.056 62.925 1.00 21.85 ATOM 1574 H SER 166 -18.316 -11.751 62.997 1.00 0.00 ATOM 1575 CA SER 166 -20.296 -11.434 62.345 1.00 24.63 ATOM 1576 CB SER 166 -20.289 -12.922 61.981 1.00 25.45 ATOM 1577 OG SER 166 -19.253 -13.209 61.056 1.00 36.62 ATOM 1578 HG SER 166 -18.382 -13.082 61.448 1.00 0.00 ATOM 1579 C SER 166 -21.521 -11.138 63.203 1.00 24.57 ATOM 1580 O SER 166 -22.593 -10.850 62.672 1.00 24.97 ATOM 1581 N SER 167 -21.382 -11.261 64.518 1.00 25.49 ATOM 1582 H SER 167 -20.541 -11.538 64.921 1.00 0.00 ATOM 1583 CA SER 167 -22.504 -11.000 65.408 1.00 30.48 ATOM 1584 CB SER 167 -23.222 -12.301 65.777 1.00 31.09 ATOM 1585 OG SER 167 -23.709 -12.957 64.618 1.00 36.91 ATOM 1586 HG SER 167 -24.177 -12.308 64.074 1.00 0.00 ATOM 1587 C SER 167 -22.069 -10.265 66.662 1.00 30.67 ATOM 1588 O SER 167 -21.564 -10.863 67.617 1.00 34.44 ATOM 1589 N LEU 168 -22.237 -8.952 66.629 1.00 27.52 ATOM 1590 H LEU 168 -22.633 -8.515 65.836 1.00 0.00 113 ATOM 1591 CA LEU 168 ■ 21.894 -8.096 67.747 1.00 23.85 ATOM 1592 CB LEU 168 •20.504 -7.487 67.587 1.00 23.06 ATOM 1593 CG LEU 168 ■ 19.283 -8.162 68.190 1.00 22.81 ATOM 1594 CDl LEU 168 ■ 18.189 -7.116 68.286 1.00 20.60 ATOM 1595 CD2 LEU 168 •19.596 -8.715 69.558 1.00 22.00 ATOM 1596 C LEU 168 22.886 -6.969 67.769 1.00 22.39 ATOM 1597 O LEU 168 •23.127 -6.325 66.747 1.00 23.43 ATOM 1598 N THR 169 •23.498 -6.751 68.920 1.00 20.11 ATOM 1599 H THR 169 ■23.297 -7.292 69.704 1.00 0.00 ATOM 1600 CA THR 169 24.431 -5.655 69.047 1.00 18.64 ATOM 1601 CB THR 169 25.503 -5.944 70.120 1.00 20.52 ATOM 1602 OG1 THR 169 24.876 -6.164 71.390 1.00 21.40 ATOM 1603 HG1 THR 169 25.601 -6.350 72.002 1.00 0.00 ATOM 1604 CG2 THR 169 26.313 -7.180 69.738 1.00 22.55 ATOM 1605 C THR 169 23.547 -4.494 69.485 1.00 16.14 ATOM 1606 O THR 169 22.355 -4.682 69.759 1.00 14.33 ATOM 1607 N ARG 170 24.125 -3.304 69.557 1.00 17.90 ATOM 1608 H ARG 170 25.076 -3.202 69.314 1.00 0.00 ATOM 1609 CA ARG 170 23.383 -2.125 69.975 1.00 16.65 ATOM 1610 CB ARG 170 24.302 -0.907 69.956 1.00 15.78 ATOM 1611 CG ARG 170 23.645 0.392 70.358 1.00 16.09 ATOM 1612 CD ARG 170 24.672 1.495 70.345 1.00 17.74 ATOM 1613 NE ARG 170 24.099 2.796 70.649 1.00 17.11 ATOM 1614 HE ARG 170 23.788 2.980 71.549 1.00 0.00 ATOM 1615 CZ ARG 170 23.966 3.775 69.762 1.00 16.57 ATOM 1616 NHI ARG 170 23.442 4.933 70.132 1.00 15.48 ATOM 1617 HH11 ARG 170 23.176 5.091 71.081 1.00 0.00 ATOM 1618 HHl2 ARG 170 23.372 5.687 69.486 1.00 0.00 ATOM 1619 NH2 ARG 170 24.327 3.589 68.501 1.00 15.05 ATOM 1620 HH21 ARG 170 24.701 2.709 68.207 1.00 0.00 ATOM 1621 HH22 ARG 170 24.185 4.334 67.852 1.00 0.00 ATOM 1622 C ARG 170 22.799 -2.329 71.375 1.00 16.82 ATOM 1623 O ARG 170 21.631 -2.013 71.616 1.00 16.43 ATOM 1624 N GLU 171 23.603 -2.877 72.284 1.00 16.19 ATOM 1625 H GLU 171 24.524 -3.101 72.035 1.00 0.00 ATOM 1626 CA GLU 171 23.157 -3.114 73.654 1.00 17.65 ATOM 1627 CB GLU 171 24.296 -3.656 74.521 1.00 20.42 ATOM 1628 CG GLU 171 23.890 -3.861 75.985 1.00 28.15 ATOM 1629 CD GLU 171 24.931 -4.598 76.818 1.00 33.50 114 ATOM 1630 OEI GLU 171 ■24.529 -5.400 77.688 1.00 35.78 ATOM 1631 OE2 GLU 171 -26 .144 -4 .371 76 .619 1 .00 38 .13 ATOM 1632 C GLU 171 ■ 21 .980 -4 .075 73 .721 1 .00 15 .35 ATOM 1633 O GLU 171 •20 .990 -3 .816 74 .418 1 .00 13 .06 ATOM 1634 N GLU 172 ■ 22 .095 -5 .187 73 .001 1 .00 16 .60 ATOM 1635 H GLU 172 ■ 22 .905 -5 .331 72 .465 1 .00 0 .00 ATOM 1636 CA GLU 172 ■21 .041 -6 .193 72 .977 1 .00 16 .42 ATOM 1637 CB GLU 172 ■21 .497 -7 .427 72 .206 1 .00 18 .60 ATOM 1638 CG GLU 172 • 22. .697 -8 .119 72 .818 1, .00 24, .77 ATOM 1639 CD GLU 172 ■ 23 .255 -9 .223 71 .940 1 .00 30 .30 ATOM 1640 OEI GLU 172 ■ 23, .063 -9 .176 70, .706 1, .00 30, .79 ATOM 1641 OE2 GLU 172 23. .901 -10, .141 72, .486 1, .00 35. .30 ATOM 1642 C GLU 172 19, .780 -5, .617 72. .357 1. .00 15. .63 ATOM 1643 O GLU 172 • 18, .674 -5, .933 72. .790 1, .00 18. .34 ATOM 1644 N ALA 173 19. .946 -4. .763 71, .351 1, .00 16. .15 ATOM 1645 H ALA 173 20. .848 -4, .556 71. .029 1. .00 0. .00 ATOM 1646 CA ALA 173 18. .805 -4, .132 70. .695 1. .00 13. .89 ATOM 1647 CB ALA 173 19. .273 -3, .292 69. .520 1. .00 14. .91 ATOM 1648 C ALA 173 18. .053 -3, .266 71. .703 1. .00 11. .93 ATOM 1649 O ALA 173 16. .831 -3. .338 71. .806 1. .00 12. .06 ATOM 1650 N GLU 174 18. .791 -2. .471 72. .471 1. ,00 13. .97 ATOM 1651 H GLU 174 19. .767 -2. .481 72. .349 1. .00 0. .00 ATOM 1652 CA GLU 174 18. .178 -1. .603 73. .471 1. .00 13. .42 ATOM 1653 CB GLU 174 19. .204 -0. .636 74. .064 1. .00 12. .52 ATOM 1654 CG GLU 174 19. .696 0. .413 73. ,072 1. ,00 13. .96 ATOM 1655 CD GLU 174 20. .406 1. .582 73. .734 1. .00 16. .34 ATOM 1656 OEI GLU 174 20. .943 2. .438 73. .004 1. .00 17. .65 ATOM 1657 OE2 GLU 174 20. .423 1. .658 74. .979 1. .00 20. .00 ATOM 1658 C GLU 174 17. .517 -2. .418 74. .574 1. ,00 14. .72 ATOM 1659 O GLU 174 16. .446 -2. .059 75. .062 1. .00 16. .13 ATOM 1660 N ARG 175 18. .144 -3. .525 74. .953 1. .00 16. .98 ATOM 1661 H ARG 175 18. .996 -3. .758 74. .523 1. .00 0. .00 ATOM 1662 CA ARG 175 17. ,592 -4. .387 75. .987 1. .00 17. .73 ATOM 1663 CB ARG 175 18. .566 -5. .516 76. .317 1. .00 20. .45 ATOM 1664 CG ARG 175 18. ,072 -6. .491 77. .373 1. .00 27. .83 ATOM 1665 CD ARG 175 19. .238 -7. .101 78. .146 1. .00 32. .77 ATOM 1666 NE ARG 175 20. ,332 -7. .531 77. ,274 1. .00 38. .89 ATOM 1667 HE ARG 175 20. .118 -8. .137 76. .537 1. .00 0. .00 ATOM 1668 CZ ARG 175 21. .602 -7. .152 77. .416 1. .00 41. .12 115 - ATOM 1669 NHI ARG 175 -21.955 -6.333 78.400 1..00 40,.50 ATOM 1670 HH11 ARG 175 -21.266 -5, .992 79 .041 1. .00 0, .00 ATOM 1671 HH12 ARG 175 -22.906 -6, .052 78, .508 1. .00 0, .00 ATOM 1672 NH2 ARG 175 -22.522 -7, .585 76, .563 1. .00 42. .19 ATOM 1673 HH21 ARG 175 -22.264 -8, .200 75, .819 1. .00 0, .00 ATOM 1674 HH22 ARG 175 -23.475 -7, .301 76, .675 1. .00 0, .00 ATOM 1675 C ARG 175 -16.245 -4, .944 75, .542 1. .00 18. .13 ATOM 1676 O ARG 175 -15.305 -4, .989 76, .330 1. .00 17. .99 ATOM 1677 N LYS 176 -16.133 -5, .319 74, .270 1. .00 19. .22 ATOM 1678 H LYS 176 -16.906 -5. .249 73. .671 1. ,00 0. .00 ATOM 1679 CA LYS 176 -14.872 -5. .853 73. .757 1. ,00 19. .25 ATOM 1680 CB LYS 176 -15.070 -6. .569 72. .420 1. 00 20. .57 ATOM 1681 CG LYS 176 -15.907 -7. .827 72. .531 1. ,00 24. .61 ATOM 1682 CD LYS 176 -15.949 -8. .609 71. .230 1. ,00 31. .16 ATOM 1683 CE LYS 176 -14.759 -9. .547 71. .088 1. ,00 36. .55 ATOM 1684 NZ LYS 176 -13.455 -8. .837 70. .995 1. ,00 41. .60 ATOM 1685 HZ1 LYS 176 -13.289 -8. .308 71. .876 1. ,00 0. .00 ATOM 1686 HZ2 LYS 176 -13.483 -8. .179 70. .192 1. ,00 0. .00 ATOM 1687 HZ3 LYS 176 -12.687 -9. .525 70. .849 1. 00 0. ,00 ATOM 1688 C LYS 176 -13.806 -4. ,776 73. .622 1. 00 19. .16 ATOM 1689 O LYS 176 -12.645 -5. .006 73. .952 1. 00 20. .81 ATOM 1690 N LEU 177 -14.199 -3. .597 73. .150 1. ,00 18. .33 ATOM 1691 H LEU 177 -15.133 -3. .466 72. .878 1. ,00 0. .00 ATOM 1692 CA LEU 177 -13.251 -2. .499 72. .994 1. ,00 18. .62 ATOM 1693 CB LEU 177 -13.857 -1. .375 72, .153 1. ,00 14, .79 ATOM 1694 CG LEU 177 -14.119 -1. .701 70, .681 1. .00 14, .52 ATOM 1695 CDl LEU 177 -14.746 -0, .502 70, .016 1. .00 14, .81 ATOM 1696 CD2 LEU 177 -12.833 -2. .073 69, .972 1. .00 12, .01 ATOM 1697 C LEU 177 -12.742 -1. .950 74, .328 1. .00 19 .76 ATOM 1698 O LEU 177 -11.562 -1, .628 74 .456 1. .00 20 .72 ATOM 1699 N TYR 178 -13.632 -1, .839 75 .312 1. .00 20 .07 ATOM 1700 H TYR 178 -14.555 -2 .105 75 .139 1, .00 0 .00 ATOM 1701 CA TYR 178 -13.263 -1 .334 76 .634 1, .00 21 .20 ATOM 1702 CB TYR 178 -14.507 -0 .935 77 .425 1 .00 18 .72 ATOM 1703 CG TYR 178 -15.063 0 .420 77 .073 1 .00 16 .53 ATOM 1704 CDl TYR 178 -14.238 1 .543 77 .029 1 .00 17 .03 ATOM 1705 CEI TYR 178 -14.752 2 .796 76 .738 1 .00 14 .85 ATOM 1706 CD2 TYR 178 -16.418 0 .587 76 .813 1 .00 15 .41 ATOM 1707 CE2 TYR 178 -16.942 1 .833 76 .520 1 .00 14 .24 1 16 ATOM 1708 CZ TYR 178 -16.105 2.935 76.485 1.00 15.80 ATOM 1709 OH TYR 178 -16.624 4.177 76.198 1.00 17.17 ATOM 1710 HH TYR 178 -17.593 4.110 76.183 1.00 0.00 ATOM 1711 C TYR 178 -12.471 -2.349 77.446 1.00 24.65 ATOM 1712 O TYR 178 -11.596 -1.986 78.233 1.00 26.95 ATOM 1713 N SER 179 -12.791 -3.622 77.266 1.00 31.05 ATOM 1714 H SER 179 -13.473 -3.885 76.617 1.00 0.00 ATOM 1715 CA SER 179 -12.116 -4.680 77.998 1.00 35.86 ATOM 1716 CB SER 179 -13.067 -5.861 78.220 1.00 37.01 ATOM 1717 OG SER 179 -14.265 -5.444 78.868 1.00 38.69 ATOM 1718 HG SER 179 -14.778 -5.012 78.177 1.00 0.00 ATOM 1719 C SER 179 -10.869 -5.126 77.251 1.00 39.08 ATOM 1720 O SER 179 -10.909 -6.065 76.456 1.00 42.60 ATOM 1721 N GLY 180 -9.765 -4.432 77.498 1.00 42.38 ATOM 1722 H GLY 180 -9.787 -3.665 78.115 1.00 0.00 ATOM 1723 CA GLY 180 -8.516 -4.773 76.846 1.00 45.79 ATOM 1724 C GLY 180 -7.445 -3.734 77.103 1.00 47.21 ATOM 1725 O GLY 180 -7.400 -3.126 78.171 1.00 47.24 ATOM 1726 N ALA 181 -6.590 -3.519 76.109 1.00 48.92 ATOM 1727 H ALA 181 -6.697 -4.028 75.282 1.00 0.00 ATOM 1728 CA ALA 181 -5.508 -2.549 76.222 1.00 50.24 ATOM 1729 CB ALA 181 -4.423 -2.857 75.197 1.00 49.84 ATOM 1730 C ALA 181 -6.006 -1.111 76.055 1.00 51.23 ATOM 1731 O ALA 181 -5.331 -0.165 76.465 1.00 54.12 ATOM 1732 N GLN 182 -7.179 -0.953 75.446 1.00 50.07 ATOM 1733 H GLN 182 -7.676 -1.742 75.154 1.00 0.00 ATOM 1734 CA GLN 182 -7.772 0.365 75.214 1.00 47.88 ATOM 1735 CB GLN 182 -8.274 0.993 76.521 1.00 49.86 ATOM 1736 CG GLN 182 -9.511 0.332 77.103 1.00 53.43 ATOM 1737 CD GLN 182 -10.189 1.192 78.152 1.00 57.83 ATOM 1738 OEI GLN 182 -10.327 0.796 79.308 1.00 60.70 ATOM 1739 NE2 GLN 182 -10.616 2.383 77.752 1.00 58.70 ATOM 1740 HE21 GLN 182 -10.461 2.650 76.828 1.00 0.00 ATOM 1741 HE22 GLN 182 -11.079 2.922 78.427 1.00 0.00 ATOM 1742 C GLN 182 -6.832 1.332 74.497 1.00 43.44 ATOM 1743 O GLN 182 -6.892 2.548 74.703 1.00 41.92 ATOM 1744 N THR 183 -5.972 0.789 73.643 1.00 39.92 ATOM 1745 H THR 183 -5.956 -0.170 73.460 1.00 0.00 ATOM 1746 CA THR 183 -5.036 1.606 72.891 1.00 36.35 117 - ATOM 1747 CB THR 183 -3.864 0.758 72.357 1 38.51 ATOM 1748 OG1 THR 183 -4 .351 -0 .519 71 .923 1 .CO 42 .00 ATOM 1749 HG1 THR 183 -3 .917 -0 .732 71 .092 1 .00 0 .00 ATOM 1750 CG2 THR 183 -2 .830 0 .542 73 .457 1 .00 39 .77 ATOM 1751 C THR 183 -5 .758 2 .321 71 .749 1 .00 32 .35 ATOM 1752 O THR 183 -6 .676 1 .772 71 .132 1 .00 29 .04 ATOM 1753 N ASP 184 -5 .367 3 .567 71 .508 1 .00 27 .99 ATOM 1754 H ASP 184 -4 .644 3 .943 72 .040 1 .CO 0 .00 ATOM 1755 CA ASP 184 -5 .975 4 .376 70 .460 1 .00 27, .05 ATOM 1756 CB ASP 184 -5, .285 5, .742 70, .374 1. .00 27. .76 ATOM 1757 CG ASP 184 -5, .617 6, .647 71, .553 1, .00 29. .09 ATOM 1758 ODI ASP 184 -4, .767 7, .483 71, .914 1, .00 30. .44 ATOM 1759 OD2 ASP 184 -6, .729 6, .539 72, .109 1. .00 30. .19 ATOM 1760 C ASP 184 -5, .973 3. .701 69, .092 1. .00 23. .21 ATOM 1761 O ASP 184 -5, .000 3, .054 68, .704 1. 22. .81 ATOM 1762 N GLY 185 -7. .088 3. .826 68. .385 1. ,C0 22. .28 ATOM 1763 H GLY 185 -7, .863 4. .278 68. .784 1. .00 0. .00 ATOM 1764 CA GLY 185 -7, .200 3. .235 67. .068 1. .00 20. .98 ATOM 1765 C GLY 185 -7. .690 1. .800 67. .065 1. 00 20. .58 ATOM 1766 O GLY 185 -7. .879 1. .223 65. ,994 1. .00 21. .98 ATOM 1767 N LYS 186 -7. .847 1. .198 68. ,241 1. .00 19. .39 ATOM 1768 H LYS 186 -7. .620 1. .668 69. .072 1. ,00 0. .00 ATOM 1769 CA LYS 186 -8. .343 -0. .173 68. .330 1. ,00 19. .96 ATOM 1770 CB LYS 186 -8. .385 -0. .628 69. .790 1. ,00 24. .49 ATOM 1771 CG LYS 186 -8. .935 -2. .022 69. .996 1. , O 30. .49 ATOM 1772 CD LYS 186 -8. .020 -3. .081 69. .408 1. .00 39. .02 ATOM 1773 CE LYS 186 -6, .799 -3. .343 70. .288 1. .00 47. .08 ATOM 1774 NZ LYS 186 -5. .832 -2. .209 70. .348 1. ,00 51. .52 ATOM 1775 HZ1 LYS 186 -6. .284 -1. ,364 70. .753 1. .00 0. .00 ATOM 1776 HZ2 LYS 186 -5. .492 -1. .990 69. .391 1. .00 0. .00 ATOM 1777 HZ3 LYS 186 -5. .026 -2. .478 70. .946 1. ,00 0. .00 ATOM 1778 C LYS 186 -9. .753 -0. .153 67. .742 1. .00 17. .33 ATOM 1779 O LYS 186 10. .603 0. .617 68. .198 1. .00 17. .32 ATOM 1780 N PHE 187 10, .008 -1. .010 66. .756 1. .00 14 .12 ATOM 1781 H PHE 187 -9, .312 -1. .637 66. .467 1. .00 0 .00 ATOM 1782 CA PHE 187 11. .305 -1, .032 66, .092 1, .00 10 .45 ATOM 1783 CB PHE 187 11, .202 -0, .237 64, .786 1, .00 11 .01 ATOM 1784 CG PHE 187 10, .455 -0. .967 63. .697 1. .00 12. .30 ATOM 1785 CDl PHE 187 11, .142 -1, .525 62. .618 1, .00 11 .77 118 ATOM 1786 CD2 PHE 187 -9.073 -1.137 63.770 1.00 10.05 ATOM 1787 CEI PHE 187 -10.461 -2.246 61.635 1.00 10.76 ATOM 1788 CE2 PHE 187 -8.385 -1.857 62.788 1.00 10.66 ATOM 1789 CZ PHE 187 -9.081 -2.411 61.723 1.00 8.89 ATOM 1790 C PHE 187 -11.844 -2.421 65.754 1.00 11.49 ATOM 1791 O PHE 187 -11.157 -3.432 65.903 1.00 12.56 ATOM 1792 N LEU 188 ■ 13.071 -2.437 65.243 1.00 11.03 ATOM 1793 H LEU 188 13.567 -1.591 65.168 1.00 0.00 ATOM 1794 CA LEU 188 • 13.752 -3.644 64.802 1.00 10.57 ATOM 1795 CB LEU 188 14.276 -4.474 65.988 1.00 13.68 ATOM 1796 CG LEU 188 15.280 -3.955 67.030 1.00 12.79 ATOM 1797 CDl LEU 188 16.689 -3.832 66.447 1.00 12.29 ATOM 1798 CD2 LEU 188 15.290 -4.941 68.190 1.00 10.52 ATOM 1799 C LEU 188 14.888 -3.218 63.881 1.00 10.06 ATOM 1800 O LEU 188 15.359 -2.082 63.956 1.00 11.34 ATOM 1801 N LEU 189 15.286 -4.107 62.980 1.00 11.08 ATOM 1802 H LEU 189 14.863 -4.989 62.944 1.00 0.00 ATOM 1803 CA LEU 189 16.363 -3.830 62.039 1.00 11.26 ATOM 1804 CB LEU 189 15.845 -3.967 60.597 1.00 14.05 ATOM 1805 CG LEU 189 16.568 -3.364 59.379 1.00 18.08 ATOM 1806 CDl LEU 189 17.908 -4.020 59.126 1.00 20.55 ATOM 1807 CD2 LEU 189 16.725 -1.869 59.551 1.00 21.24 ATOM 1808 C LEU 189 17.449 -4.858 62.332 1.00 10.17 ATOM 1809 O LEU 189 17.160 -6.037 62.539 1.00 9.97 ATOM 1810 N ARG 190 18.696 -4.416 62.364 1.00 8.42 ATOM 1811 H ARG 190 18.893 -3.469 62.193 1.00 0.00 ATOM 1812 CA ARG 190 19.803 -5.313 62.658 1.00 10.21 ATOM 1813 CB ARG 190 20.199 -5.183 64.137 1.00 12.50 ATOM 1814 CG ARG 190 20.586 -3.758 64.560 1.00 11.39 ATOM 1815 CD ARG 190 20.747 -3.613 66.072 1.00 10.81 ATOM 1816 NE ARG 190 20.865 -2.210 66.479 1.00 10.25 ATOM 1817 HE ARG 190 20.054 -1.759 ' 66.795 1.00 0.00 ATOM 1818 CZ ARG 190 21.993 -1.501 66.454 1.00 8.67 ATOM 1819 NHI ARG 190 23.133 -2.044 66.050 1.00 8.01 ATOM 1820 HH11 ARG 190 23.143 -3.001 65.758 1.00 0.00 ATOM 1821 HH12 ARG 190 23.970 -1.501 66.030 1.00 0.00 ATOM 1822 NH2 ARG 190 21.975 -0.220 66.799 1.00 11.12 ATOM 1823 HH21 ARG 190 21.118 0.212 67.080 1.00 0.00 ATOM 1824 HH22 ARG 190 22.814 0.312 66.777 1.00 0.00 119 ATOM 1825 C ARG 190 ■20.996 -4.977 61.789 1.00 12.50 ATOM 1826 O ARG 190 •21.172 -3.826 61.380 1.00 14.16 ATOM 1827 N PRO 191 21.785 -5.991 61.416 1.00 14.16 ATOM 1828 CD PRO 191 21.581 -7.440 61.603 1.00 14.81 ATOM 1829 CA PRO 191 22.960 -5.721 60.587 1.00 14.23 ATOM 1830 CB PRO 191 23.281 -7.094 60.004 1.00 15.24 ATOM 1831 CG PRO 191 22.890 -8.023 61.119 1.00 16.17 ATOM 1832 C PRO 191 24.081 -5.222 61.500 1.00 14.24 ATOM 1833 0 PRO 191 24.039 -5.444 62.712 1.00 15.68 ATOM 1834 N ARG 192 25.036 -4.492 60.937 1.00 15.51 ATOM 1835 H ARG 192 25.006 -4.277 59.982 1.00 0.00 ATOM 1836 CA ARG 192 26.164 -3.988 61.712 1.00 18.28 ATOM 1837 CB ARG 192 26.369 -2.489 61.458 1.00 13.36 ATOM 1838 CG ARG 192 25.210 -1.623 61.914 1.00 11.77 ATOM 1839 CD ARG 192 25.445 -0.158 61.606 1.00 12.79 ATOM 1840 NE ARG 192 26.554 0.404 62.374 1.00 13.77 ATOM 1841 HE ARG 192 26.455 0.472 63.346 1.00 0.00 ATOM 1842 CZ ARG 192 27.707 0.809 61.849 1.00 15.28 ATOM 1843 NHI ARG 192 27.925 0.718 60.544 1.00 14.55 ATOM 1844 HH11 ARG 192 27.221 0.344 59.941 1.00 0.00 ATOM 1845 HH12 ARG 192 28.799 1.013 60.162 1.00 0.00 ATOM 1846 NH2 ARG 192 28.643 1.322 62.631 1.00 16.15 ATOM 1847 HH21 ARG 192 28.468 1.402 63.611 1.00 0.00 ATOM 1848 HH22 ARG 192 29.515 1.625 62.246 1.00 0.00 ATOM 1849 C ARG 192 27.406 -4.779 61.311 1.00 20.44 ATOM 1850 O ARG 192 27.345 -5.612 60.404 1.00 21.80 ATOM 1851 N LYS 193 28.523 -4.532 61.988 1.00 26.86 ATOM 1852 H LYS 193 28.484 -3.869 62.709 1.00 0.00 ATOM 1853 CA LYS 193 29.773 -5.232 61.690 1.00 30.35 ATOM 1854 CB LYS 193 30.876 -4.793 62.654 1.00 34.92 ATOM 1855 CG LYS 193 30.577 -5.067 64.117 1.00 42.06 ATOM 1856 CD LYS 193 31.765 -4.694 64.990 1.00 48.13 ATOM 1857 CE LYS 193 31.490 -4.992 66.457 1.00 52.32 ATOM 1858 NZ LYS 193 32.702 -4.794 67.307 1.00 53.88 ATOM 1859 HZ1 LYS 193 33.436 -5.457 66.987 1.00 0.00 ATOM 1860 HZ2 LYS 193 33.047 -3.819 67.206 1.00 0.00 ATOM 1861 HZ3 LYS 193 32.473 -4.984 68.304 1.00 0.00 ATOM 1862 C LYS 193 30.226 -5.004 60.246 1.00 32.33 ATOM 1863 O LYS 193 30.611 -5.950 59.557 1.00 33.07 - 120 ATOM 1864 N GLU 194 -30.176 -3.751 59.795 1.00 31.89 ATOM 1865 H GLU 194 -29 .824 -3 .055 60 .377 1 .00 0 .00 ATOM 1866 CA GLU 194 -30 .575 -3 .401 58 .430 1 .00 31 .91 ATOM 1867 CB GLU 194 -30 .744 -1 .884 58 .274 1 .00 32 .74 ATOM 1868 CG GLU 194 -32 .021 -1 .301 58 .861 1 .00 35 .26 ATOM 1869 CD GLU 194 -32 .036 -1 .294 60 .376 1 .00 36 .36 ATOM 1870 OEI GLU 194 -32 .968 -1 .885 60 .956 1 .00 40 .45 ATOM 1871 OE2 GLU 194 -31 .128 -0 .694 60 .989 1 .00 38 .26 ATOM 1872 C GLU 194 -29 .541 -3 .882 57 .424 1 .00 30 .11 ATOM 1873 O GLU 194 -28 .362 -3 .556 57 .536 1 .00 31 .42 ATOM 1874 N GLN 195 -29 .986 -4 .651 56 .438 1 .00 30 .67 ATOM 1875 H GLN 195 -30 .939 -4 .860 56 .409 1 .00 0 .00 ATOM 1876 CA GLN 195 -29 .097 -5 .168 55 .405 1 .00 30 .73 ATOM 1877 CB GLN 195 -29 .866 -6 .090 54 .460 1 .00 37 .53 ATOM 1878 CG GLN 195 -30. .238 -7 .431 55 .070 1. .00 48 .32 ATOM 1879 CD GLN 195 -29. .120 -8 .457 54, .969 1, .00 54, .80 ATOM 1880 OEI GLN 195 -29. .252 -9. .457 54. .264 1. .00 59. .01 ATOM 1881 NE2 GLN 195 -28. .016 -8. .216 55. .669 1. .00 57. .50 ATOM 1882 HE21 GLN 195 -27. .917 -7. .416 56. .226 1. .00 0. .00 ATOM 1883 HE22 GLN 195 -27. .317 -8. .894 55. .589 1. .00 0. .00 ATOM 1884 C GLN 195 -28. .477 -4. .024 54. .617 1. .00 27. .43 ATOM 1885 O GLN 195 -29. .171 -3. .094 54. .209 1. .00 26. .89 ATOM 1886 N GLY 196 -27. .170 -4. .095 54. ,410 1. ,00 24. .53 ATOM 1887 H GLY 196 -26. .647 -4. .854 54. ,751 1. ,00 0. .00 ATOM 1888 CA GLY 196 -26. .491 -3. .050 53. 672 1. 00 23. .48 ATOM 1889 C GLY 196 -25. .943 -1. ,969 54. 579 1. 00 22. ,43 ATOM 1890 O GLY 196 -25. .454 -0. ,946 54. ,094 1. ,00 21. .55 ATOM 1891 N THR 197 -26. .067 -2. .166 55. 891 1. ,00 19. .48 ATOM 1892 H THR 197 -26. .503 -2. ,975 56. 238 1. 00 0. ,00 ATOM 1893 CA THR 197 -25. .548 -1. ,203 56. 852 1. 00 17. ,30 ATOM 1894 CB THR 197 -26. .665 -0. 454 57. 610 1. 00 18. ,42 ATOM 1895 OG1 THR 197 -27. 334 -1. 352 58. 501 1. 00 18. ,98 ATOM 1896 HG1 THR 197 -27. 449 -2. 142 57. 983 1. 00 0. 00 ATOM 1897 CG2 THR 197 -27. 667 0. ,147 56. 635 1. 00 17. ,56 ATOM 1898 C THR 197 -24. 652 -1. 933 57. 841 1. 00 16. ,36 ATOM 1899 O THR 197 -24. 952 -3. 057 58. 261 1. 00 16. ,10 ATOM 1900 N TYR 198 -23. 539 -1. 294 58. 178 1. 00 13. ,90 ATOM 1901 H TYR 198 -23. 392 -0. 390 57. 840 1. 00 0. ,00 ATOM 1902 CA TYR 198 -22. 542 -1. 834 59. 092 1. 00 13. 70 121 - ATOM 1903 CB TYR 198 -21.324 •2.317 58.302 1.00 15.79 ATOM 1904 CG TYR 198 -21.644 •3 .336 57 .239 1 .00 16 .67 ATOM 1905 CDl TYR 198 -22.117 •2 .941 55 .988 1 .00 16 .60 ATOM 1906 CEI TYR 198 -22.441 ■ 3 .876 55 .016 1 .00 18, .00 ATOM 1907 CD2 TYR 198 -21.498 ■ 4 .699 57 .490 1 .00 17, .21 ATOM 1908 CE2 TYR 198 -21.817 ■ 5 .643 56 .525 1. .00 20. .80 ATOM 1909 CZ TYR 198 -22.289 5, .226 55 .290 1. .00 20, .28 ATOM 1910 OH TYR 198 -22.612 6 .159 54 .330 1. .00 23. .06 ATOM 1911 HH TYR 198 -22.386 7, .044 54 .647 1. .00 0. .00 ATOM 1912 C TYR 198 -22.101 ■0 .708 60 .006 1, .00 12. .46 ATOM 1913 O TYR 198 -22.450 0, .448 59 .783 1, .00 15. .43 ATOM 1914 N ALA 199 -21.317 1, .033 61, .019 1. .00 12. .73 ATOM 1915 H ALA 199 -21.033 1, .954 61, .164 1. .00 0. .00 ATOM 1916 CA ALA 199 -20.833 0, .012 61, .927 1. .00 10. .15 ATOM 1917 CB ALA 199 -21.628 0, .023 63, .221 1. .00 11. .67 ATOM 1918 C ALA 199 -19.363 0. .225 62, .210 1. .00 11. .06 ATOM 1919 O ALA 199 -18.900 1. .361 62. .357 1. .00 11. .49 ATOM 1920 N LEU 200 -18.624 0. .876 62. .204 1. .00 10. .36 ATOM 1921 H LEU 200 -19.053 1. .732 62. .000 1. .00 0. .00 ATOM 1922 CA LEU 200 -17.206 0. .870 62. .492 1. .00 9. .26 ATOM 1923 CB LEU 200 -16.483 1. .830 61. .550 1. ,00 12. .13 ATOM 1924 CG LEU 200 -15.092 1. .470 61. .028 1. ,00 17. .52 ATOM 1925 CDl LEU 200 -14.463 2. .731 60. .451 1. ,00 ,19. .60 ATOM 1926 CD2 LEU 200 -14.204 0. .905 62. .129 1. .00 20. .00 ATOM 1927 C LEU 200 -17.122 1. .389 63. .927 1. .00 10. .58 ATOM 1928 O LEU 200 -17.605 2. .483 64. .225 1. .00 11. .51 ATOM 1929 N SER 201 -16.590 0. .577 64. .829 1. ,00 10. .65 ATOM 1930 H SER 201 -16.248 0. .304 64. .561 1. ,00 0. .00 ATOM 1931 CA SER 201 -16.465 0. .972 66. .223 1. ,00 11. .10 ATOM 1932 CB SER 201 -17.216 0. .016 67. .121 1. ,00 11. .49 ATOM 1933 OG SER 201 -18.576 0. .156 66. .728 1. ,00 13. .41 ATOM 1934 HG SER 201 -18.554 0. .583 65. .856 1. ,00 0, .00 ATOM 1935 C SER 201 -14.998 1. .007 66. .610 1. .00 13, .09 ATOM 1936 O SER 201 -14.274 0. .031 66. .405 1. .00 15, .42 ATOM 1937 N LEU 202 -14.538 2. .145 67. .112 1. .00 13, .25 ATOM 1938 H LEU 202 -15.116 2. .931 67. .224 1. .00 0 .00 ATOM 1939 CA LEU 202 -13.155 2. .258 67. .535 1. .00 14 .15 ATOM 1940 CB LEU 202 -12.259 2 .865 66 .439 1, .00 16 .72 ATOM 1941 CG LEU 202 -12.277 4 .272 65 .816 1 .00 18 .51 - 122 ATOM 1942 CDl LEU 202 -13.589 4.533 65.121 1.00 18.26 ATOM 1943 CD2 LEU 202 -11.956 5.347 66.840 1.00 21.05 ATOM 1944 C LEU 202 -13.054 3.024 68.843 1.00 15.33 ATOM 1945 O LEU 202 -13.968 3.753 69.224 1.00 14.20 ATOM 1946 N ILE 203 -11.973 2.796 69.567 1.00 18.07 ATOM 1947 H ILE 203 -11.290 2.170 69.241 1.00 0.00 ATOM 1948 CA ILE 203 -11.777 3.470 70.835 1.00 19.49 ATOM 1949 CB ILE 203 -11.514 2.444 71.974 1.00 18.21 ATOM 1950 CG2 ILE 203 -10.279 1.623 71.687 1.00 21.96 ATOM 1951 CGI ILE 203 -11.419 3.146 73.326 1.00 21.52 ATOM 1952 CD ILE 203 -11.469 2.190 74.496 1.00 21.43 ATOM 1953 C ILE 203 -10.669 4.517 70.703 1.00 20.13 ATOM 1954 O ILE 203 -9.645 4.288 70.048 1.00 20.26 ATOM 1955 N TYR 204 -10.940 5.707 71.226 1.00 20.23 ATOM 1956 H TYR- 204 -11.801 5.874 71.657 1.00 0.00 ATOM 1957 CA TYR 204 -9.997 6.809 71.186 1.00 21.84 ATOM 1958 CB TYR 204 -10.257 7.691 69.960 1.00 23.09 ATOM 1959 CG TYR 204 -9.371 8.909 69.903 1.00 28.63 ATOM 1960 CDl TYR 204 -7.983 8.783 69.891 1.00 31.65 ATOM 1961 CEI TYR 204 -7.160 9.905 69.885 1.00 35.44 ATOM 1962 CD2 TYR 204 -9.917 10.189 69.901 1.00 31.96 ATOM 1963 CE2 TYR 204 -9.102 11.320 69.894 1.00 36.73 ATOM 1964 CZ TYR 204 -7.726 11.171 69.887 1.00 37.11 ATOM 1965 OH TYR 204 -6.915 12.283 69.889 1.00 43.01 ATOM 1966 HH TYR 204 -7.453 13.075 69.817 1.00 0.00 ATOM 1967 C TYR 204 -10.164 7.618 72.465 1.00 21.93 ATOM 1968 O TYR 204 -11.271 8.048 72.792 1.00 20.87 ATOM 1969 N GLY 205 -9.069 7.796 73.199 1.00 22.69 ATOM 1970 H GLY 205 -8.223 7.424 72.920 1.00 0.00 ATOM 1971 CA GLY 205 -9.117 8.540 74.446 1.00 23.60 ATOM 1972 C GLY 205 -10.061 7.891 75.442 1.00 23.74 ATOM 1973 O GLY 205 -10.865 8.572 76.075 1.00 26.62 ATOM 1974 N LYS 206 -9.993 6.565 75.533 1.00 22.74 ATOM 1975 H LYS 206 -9.361 6.092 74.946 1.00 0.00 ATOM 1976 CA LYS 206 -10.834 5.784 76.437 1.00 22.71 ATOM 1977 CB LYS 206 -10.498 6.085 77.900 1.00 26.75 ATOM 1978 CG LYS 206 -9.177 5.500 78.359 1.00 34.97 ATOM 1979 CD LYS 206 -9.136 5.336 79.874 1.00 40.88 ATOM 1980 CE LYS 206 -7.962 4.464 80.300 1.00 45.58 123 ATOM 1981 NZ LYS 206 -7.989 4.126 81.753 1..00 48,.73 ATOM 1982 HZ1 LYS 206 -8.863 3 .613 81 .978 1. .00 0, .00 ATOM 1983 HZ2 LYS 206 -7.937 4 .997 82. .313 1. .00 0. .00 ATOM 1984 HZ3 LYS 206 -7.170 3 .524 81 .979 1. .00 0, .00 ATOM 1985 C LYS 206 -12.326 5. .963 76 .195 1. .00 21. .73 ATOM 1986 O LYS 206 -13.132 5, .757 77 .093 1. .00 21. .98 ATOM 1987 N THR 207 -12.685 6, .330 74, .972 1. .00 20. .32 ATOM 1988 H THR 207 -12.028 6, .508 74, .270 1. .00 0. .00 ATOM 1989 CA THR 207 -14.079 6, .524 74, .604 1. .00 21. .18 ATOM 1990 CB THR 207 -14.401 8. .020 74. .393 1. .00 23. .74 ATOM 1991 OG1 THR 207 -13.997 8. .769 75. .547 1. .00 30. ,73 ATOM 1992 HG1 THR 207 -13.029 8. .728 75. .573 1. .00 0. .00 ATOM 1993 CG2 THR 207 -15.888 8. .214 74. .174 1. .00 26. .96 ATOM 1994 C THR 207 -14.309 5. .776 73. .296 1. ,00 17. .81 ATOM 1995 O THR 207 -13.429 5. .741 72. .443 1. ,00 17. .93 ATOM 1996 N VAL 208 -15.469 5. .151 73. .150 1. ,00 18. .45 ATOM 1997 H VAL 208 -16.138 5. .204 73. .866 1. ,00 0. .00 ATOM 1998 CA VAL 208 -15.776 4. .406 71. .935 1. ,00 17. .67 ATOM 1999 CB VAL 208 -16.454 3. .040 72. .245 1. 00 17. .07 ATOM 2000 CGI VAL 208 -16.790 2. .305 70. .950 1. ,00 16. .77 ATOM 2001 CG2 VAL 208 -15.539 2. .182 73. .095 1. ,00 11. .55 ATOM 2002 C VAL 208 -16.656 5. .205 70. .983 1. ,00 18. .54 ATOM 2003 O VAL 208 -17.696 5. .741 71. .377 1. ,00 17. .58 ATOM 2004 N TYR 209 -16.216 5. .276 69. .730 1. ,00 18. .01 ATOM 2005 H TYR 209 -15.380 4. .834 69. .510 1. ,00 0. .00 ATOM 2006 CA TYR 209 -16.923 5. .978 68. .666 1. .00 16. .80 ATOM 2007 CB TYR 209 -15.953 6, .871 67, .888 1. .00 15, .72 ATOM 2008 CG TYR 209 -15.356 7. .983 68. .715 1. .00 19. .87 ATOM 2009 CDl TYR 209 -15.781 9. .298 68. .551 1. .00 22. .52 ATOM 2010 CEI TYR 209 -15.260 10. .324 69. .329 1. .00 24, .59 ATOM 2011 CD2 TYR 209 -14.387 7, .721 69, .679 1. .00 18, .42 ATOM 2012 CE2 TYR 209 -13.860 8, .741 70, .462 1. .00 21, .29 ATOM 2013 CZ TYR 209 -14.302 10, .037 70 .282 1. .00 23 .10 ATOM 2014 OH TYR 209 -13.798 11. .052 71 .058 1, .00 27 .37 ATOM 2015 HH TYR 209 -14.236 11 .878 70 .826 1 .00 0 .00 ATOM 2016 C TYR 209 -17.522 4 .945 67 .719 1 .00 14 .63 ATOM 2017 O TYR 209 -16.941 3 .882 67 .505 1 .00 14 .50 ATOM 2018 N HIS 210 -18.706 5 .238 67 .195 1 .00 13 .02 ATOM 2019 H HIS 210 -19.145 6 .068 67 .452 1 .00 0 .00 124 ATOM 2020 CA HIS 210 -19.378 4.345 66.259 1.00 12.53 ATOM 2021 CB HIS 210 -20.662 3.786 66.864 1.00 12.65 ATOM 2022 CG HIS 210 -20.459 3.040 68.144 1.00 16.12 ATOM 2023 CD2 HIS 210 -20.531 3.447 69.432 1.00 14.44 ATOM 2024 NDI HIS 210 -20.151 1.697 68.182 1.00 14.83 ATOM 2025 HD1 HIS 210 -19.968 1.099 67.418 1.00 0.00 ATOM 2026 CEI HIS 210 -20.047 1.309 69.440 1.00 15.80 ATOM 2027 NΞ2 HIS 210 -20.271 2.352 70.217 1.00 14.45 ATOM 2028 HE2 HIS 210 -20.186 2.357 71.186 1.00 0.00 ATOM 2029 C HIS 210 -19.734 5.160 65.031 1.00 13.68 ATOM 2030 O HIS 210 -20.289 6.249 65.161 1.00 15.52 ATOM 2031 N TYR 211 -19.363 4.664 63.853 1.00 13.00 ATOM 2032 H TYR 211 -18.867 3.819 63.799 1.00 0.00 ATOM 2033 CA TYR 211 -19.658 5.333 62.590 1.00 10.84 ATOM 2034 CB TYR 211 -18.379 5.684 61.835 1.00 10.80 ATOM 2035 CG TYR 211 -17.516 6.699 62.535 1.00 12.06 ATOM 2036 CDl TYR 211 -16.582 6.304 63.492 1.00 13.54 ATOM 2037 CEI TYR 211 -15.788 7.231 64.144 1.00 15.10 ATOM 2038 CD2 TYR 211 -17.631 8.056 62.247 1.00 13.72 ATOM 2039 CE2 TYR 211 -16.835 8.997 62.896 1.00 13.35 ATOM 2040 CZ TYR 211 -15.919 8.575 63.843 1.00 15.06 ATOM 2041 OH TYR 211 -15.127 9.487 64.494 1.00 16.21 ATOM 2042 HH TYR 211 -14.660 9.055 65.212 1.00 0.00 ATOM 2043 C TYR 211 -20.486 4.397 61.743 1.00 11.32 ATOM 2044 O TYR 211 -20.200 3.199 61.667 1.00 11.69 ATOM 2045 N LEU 212 -21.511 4.950 61.114 1.00 9.85 ATOM 2046 H LEU 212 -21.636 5.919 61.180 1.00 0.00 ATOM 2047 CA LEU 212 -22.415 4.194 60.266 1.00 11.52 ATOM 2048 CB LEU 212 -23.775 4.912 60.217 1.00 11.56 ATOM 2049 CG LEU 212 -25.035 4.391 59.503 1.00 15.30 ATOM 2050 CDl LEU 212 -25.117 4.895 58.086 1.00 16.57 ATOM 2051 CD2 LEU 212 -25.126 2.883 59.563 1.00 13.66 ATOM 2052 C LEU 212 -21.830 4.050 58.863 1.00 12.35 ATOM 2053 O LEU 212 -21.269 4.996 58.319 1.00 11.11 ATOM 2054 N ILE 213 -21.906 2.842 58.317 1.00 11.83 ATOM 2055 H ILE 213 -22.310 2.108 58.828 1.00 0.00 ATOM 2056 CA ILE 213 -21.431 2.564 56.968 1.00 11.63 ATOM 2057 CB ILE 213 -20.299 1.504 56.954 1.00 12.05 ATOM 2058 CG2 ILE 213 -19.934 1.142 55.505 1.00 9.05 125 - ATOM 2059 CGI ILE 213 ■ 19.070 2.022 57.704 1.CO 10.26 ATOM 2060 CD ILE 213 ■ 17 .985 0 .988 57 .897 1 .00 9 .92 ATOM 2061 C ILE 213 22 .626 1 .997 56 .209 1. .00 12 .13 ATOM 2062 O ILE 213 •23 .269 1 .063 56 .685 1 .00 13, .61 ATOM 2063 N SER 214 22, .970 2 .592 55 .073 1, .00 12, .35 ATOM 2064 H SER 214 22, .502 3, .387 54, .736 1, .00 0, .00 ATOM 2065 CA SER 214 ■ 24, .084 2, .091 54, .279 1, .00 16. .58 ATOM 2066 CB SER 214 25, .328 2, .965 54, .462 1, .00 20. .18 ATOM 2067 OG SER 214 25, .052 4, .321 54. .167 1, .00 28. .58 ATOM 2068 HG SER 214 25, .884 4, .781 54, .279 1, .00 0, .00 ATOM 2069 C SER 214 23. .683 2, .063 52. .817 1. .00 17. .82 ATOM 2070 O SER 214 22. .747 2. .753 52. .413 1. .00 17. .93 ATOM 2071 N GLN 215 24. .331 1. .218 52. .028 1. .00 20. .77 ATOM 2072 H GLN 215 25. .045 0. .650 52. .395 1. .00 0. .00 ATOM 2073 CA GLN 215 23. .995 1. .175 50. .620 1. .00 25. .66 ATOM 2074 CB GLN 215 23. .692 -0. .247 50. .140 1. .00 28. .54 ATOM 2075 CG GLN 215 24. .821 -1. .247 50. .204 1. .00 32. .61 ATOM 2076 CD GLN 215 24. .390 -2. .603 49. .665 1. .00 34. .57 ATOM 2077 OEI GLN 215 24. .663 -3. .638 50. .270 1. .00 38. .97 ATOM 2078 NE2 GLN 215 23. .684 -2. .599 48. .539 1. .00 32. .79 ATOM 2079 HE21 GLN 215 23. .457 -1. .751 48. .109 1. .00 0. .00 ATOM 2080 HE22 GLN 215 23. .416 -3. .468 48. .179 1. .00 0. .00 ATOM 2081 C GLN 215 25. .063 1. .853 49. .784 1. .00 26. .76 ATOM 2082 O GLN 215 26. .257 1. .704 50. .042 1. .00 27. .55 ATOM 2083 N ASP 216 24. .621 2. .676 48. .840 1. .00 27. .69 ATOM 2084 H ASP 216 23, .650 2. .786 48. .753 1. .CO 0. .00 ATOM 2085 CA ASP 216 25. .536 3. .407 47. .977 1. .00 28. .52 ATOM 2086 CB ASP 216 24. .862 4. .672 47. .417 1. .00 27. .76 ATOM 2087 CG ASP 216 23. .572 4, .381 46. .642 1. .00 26, .36 ATOM 2088 ODI ASP 216 23, .455 3, .317 46, .003 1, .00 26, .80 ATOM 2089 OD2 ASP 216 22, .670 5, .242 46, .654 1, .00 26, .55 ATOM 2090 C ASP 216 26, .111 2, .558 46, .851 1, .00 30 .65 ATOM 2091 O ASP 216 25, .818 1, .367 46, .745 1, .00 29 .83 ATOM 2092 N LYS 217 26, .910 3, .196 46, .001 1, .00 35 .42 ATOM 2093 H LYS 217 27, .102 4, .124 46, .214 1 .00 0 .00 ATOM 2094 CA LYS 217 27, .538 2, .543 44, .857 1, .00 38 .73 ATOM 2095 CB LYS 217 28 .406 3 .540 44 .074 1 .00 42 .89 ATOM 2096 CG LYS 217 27 .645 4 .721 43 .478 1 .00 48 .87 ATOM 2097 CD LYS 217 27 .269 5 .752 44 .537 1 .00 53 .40 126 ATOM 2098 CE LYS 217 ■ 26.291 6.785 43.996 1.00 58.31 ATOM 2099 NZ LYS 217 • 24.979 6.187 43.601 1.00 59.73 ATOM 2100 HZ1 LYS 217 • 25.131 5.461 42.871 1.00 0.00 ATOM 2101 HZ2 LYS 217 ■ 24.529 5.743 44.426 1.00 0.00 ATOM 2102 HZ3 LYS 217 ■ 24.352 6.930 43.224 1.00 0.00 ATOM 2103 C LYS 217 ■ 26.502 1.913 43.925 1.00 38.15 ATOM 2104 O LYS 217 ■ 26.749 0.865 43.328 1.00 40.41 ATOM 2105 N ALA 218 • 25.340 2.552 43.814 1.00 35.55 ATOM 2106 H ALA 218 • 25.215 3.381 44.311 1.00 0.00 ATOM 2107 CA ALA 218 • 24.265 2.052 42.959 1.00 33.42 ATOM 2108 CB ALA 218 •23.274 3.168 42.659 1.00 33.11 ATOM 2109 C ALA 218 ■ 23.535 0.850 43.563 1.00 31.29 ATOM 2110 O ALA 218 ■ 22.651 0.274 42.928 1.00 32.67 ATOM 2111 N GLY 219 • 23.891 0.490 44.794 1.00 28.81 ATOM 2112 H GLY 219 24.622 0.946 45.252 1.00 0.00 ATOM 2113 CA GLY 219 ■ 23.253 -0.633 45.461 1.00 25.16 ATOM 2114 C GLY 219 ■ 21.997 -0.266 46.235 1.00 21.96 ATOM 2115 O GLY 219 ■ 21.363 -1.132 46.841 1.00 21.31 ATOM 2116 N LYS 220 21.642 1.015 46.223 1.00 18.93 ATOM 2117 H LYS 220 22.183 1.645 45.717 1.00 0.00 ATOM 2118 CA LYS 220 20.465 1.499 46.929 1.00 17.78 ATOM 2119 CB LYS 220 19.940 2.767 46.266 1.00 20.25 ATOM 2120 CG LYS 220 19.307 2.495 44.913 1.00 24.18 ATOM 2121 CD LYS 220 18.898 3.771 44.211 1.00 31.09 ATOM 2122 CE LYS 220 18.088 3.470 42.960 1.00 34.60 ATOM 2123 NZ LYS 220 18.821 2.569 42.026 1.00 37.47 ATOM 2124 HZ1 LYS 220 19.718 3.013 41.752 1.00 0.00 ATOM 2125 HZ2 LYS 220 19.017 1.663 42.495 1.00 0.00 ATOM 2126 HZ3 LYS 220 18.261 2.395 41.170 1.00 0.00 ATOM 2127 C LYS 220 20.746 1.743 48.407 1.00 16.48 ATOM 2128 O LYS 220 21.865 2.094 48.780 1.00 17.93 ATOM 2129 N TYR 221 19.728 1.535 49.236 1.00 12.90 ATOM 2130 H TYR 221 18.873 1.259 48.858 1.00 0.00 ATOM 2131 CA TYR 221 19.837 1.709 50.680 1.00 13.00 ATOM 2132 CB TYR 221 19.086 0.593 51.414 1.00 14.73 ATOM 2133 CG TYR 221 19.541 -0.805 51.080 1.00 14.94 ATOM 2134 CDl TYR 221 19.019 -1.481 49.982 1.00 14.31 ATOM 2135 CEI TYR 221 19.413 -2.779 49.682 1.00 17.85 ATOM 2136 CD2 TYR 221 20.479 -1.464 51.876 1.00 18.01 - 127 - ATOM 2137 CE2 TYR 221 ■ 20.881 -2.769 51.583 1.00 19.06 ATOM 2138 CZ TYR 221 ■ 20 .339 -3 .418 50 .483 1 .00 18 .46 ATOM 2139 OH TYR 221 ■ 20 .710 -4 .712 50 .187 1 .00 21 .74 ATOM 2140 HH TYR 221 • 21 .440 -4 .960 50 .769 1 .00 0 .00 ATOM 2141 C TYR 221 ■ 19 .239 3 .026 51 .127 1 .00 13 .74 ATOM 2142 O TYR 221 •18 .268 3 .505 50 .537 1. .00 13 .39 ATOM 2143 N CYS 222 • 19 .792 3. .588 52 .196 1. .00 12 .18 ATOM 2144 H CYS 222 • 20 .597 3 .211 52 .622 1. .00 0 .00 ATOM 2145 CA CYS 222 ■ 19. .270 4. .832 52 .738 1. .00 12 .71 ATOM 2146 CB CYS 222 19, .460 5, .988 51, .746 1. .00 12. .80 ATOM 2147 SG CYS 222 21. .164 6. .569 51, .564 1. .00 18. .19 ATOM 2148 C CYS 222 19, .924 5. .225 54, .042 1. .00 11. .87 ATOM 2149 O CYS 222 ■ 21. .011 4, .751 54, .382 1. .00 13. .51 ATOM 2150 N ILE 223 19. .194 6, .019 54, .814 1. .00 11. .88 ATOM 2151 H ILE 223 18. .278 6. .244 54, .535 1. .00 0. .00 ATOM 2152 CA ILE 223 19. .709 6. .588 56, .049 1. .00 11. .29 ATOM 2153 CB ILE 223 18. .542 7. .030 56. .971 1. .00 10. .12 ATOM 2154 CG2 ILE 223 19. .073 7. .735 58. .217 1. .00 9. .33 ATOM 2155 CGI ILE 223 17. .712 5. .801 57. .366 1. .00 10. .22 ATOM 2156 CD ILE 223 16. .409 6. .116 58. .065 1. ,00 12. .74 ATOM 2157 C ILE 223 20. .409 7. .805 55. .418 1. ,00 13. .19 ATOM 2158 O ILE 223 19. .883 8. .380 54. .461 1. ,00 14. .19 ATOM 2159 N PRO 224 21. .627 8. .158 55. .864 1. ,00 13. .86 ATOM 2160 CD PRO 224 22. .436 7. .580 56. .951 1. ,00 15. .81 ATOM 2161 CA PRO 224 22. .313 9. .314 55. .269 1. .00 14. .75 ATOM 2162 CB PRO 224 23. .430 9. .593 56. .271 1. ,00 15. .29 ATOM 2163 CG PRO 224 23. .798 8. .225 56. .718 1. .00 16. .55 ATOM 2164 C PRO 224 21. .418 10. .538 55. .052 1. ,00 13. .87 ATOM 2165 O PRO 224 20. .737 10. .999 55. .972 1. ,00 14. .06 ATOM 2166 N GLU 225 21. .406 11. .024 53. .812 1. .00 16. .66 ATOM 2167 H GLU 225 21. .973 10. .588 53. .143 1. .00 0. .00 ATOM 2168 CA GLU 225 20. .611 12. .184 53. .399 1. .00 18. .98 ATOM 2169 CB GLU 225 20. .880 13. .377 54, .321 1. .00 23, .00 ATOM 2170 CG GLU 225 22. .332 13. .822 54, .340 1. .00 31, .63 ATOM 2171 CD GLU 225 22. .586 14. .925 55 .345 1. .00 38, .26 ATOM 2172 OEI GLU 225 22. .900 14, .610 56 .514 1, .00 44 .60 ATOM 2173 OE2 GLU 225 22. .472 16, .111 54 .965 1, .00 44 .04 ATOM 2174 C GLU 225 19. .109 11. .901 53. .325 1. .00 17, .01 ATOM 2175 O GLU 225 18. .297 12. .827 53 .247 1. .00 17 .14 128 ATOM 2176 N GLY 226 -18.745 10.623 53.308 1.00 14.45 ATOM 2177 H GLY 226 -19 .411 9 .908 53 .330 1 .00 0 .00 ATOM 2178 CA GLY 226 -17 .347 10 .255 53 .244 1 .00 11 .18 ATOM 2179 C GLY 226 -16 .950 9 .659 51 .910 1 .00 10 .31 ATOM 2180 O GLY 226 -17 .741 9 .618 50 .969 1 .00 9 .78 ATOM 2181 N THR 227 15 .713 9 .189 51 .843 1 .00 12 .43 ATOM 2182 H THR 227 ■ 15 .132 9 .231 52 .635 1 .00 0 .00 ATOM 2183 CA THR 227 15 .161 8 .580 50 .642 1 .00 13 .92 ATOM 2184 CB THR 227 13 .660 8 .259 50 .845 1 .00 13 .92 ATOM 2185 OG1 THR 227 12 .995 9 .405 51 .387 1 .00 14 .17 ATOM 2186 HG1 THR 227 12 .972 10 .110 50 .731 1 00 0 .00 ATOM 2187 CG2 THR 227 13 .004 7 .903 49 531 1 00 13 .18 ATOM 2188 C THR 227 15 .907 7 288 50 339 1 00 13 19 ATOM 2189 O THR 227 16 .348 6 .600 51 .256 1 00 15 .61 ATOM 2190 N LYS 228 16 .064 6 968 49 061 1 00 12 19 ATOM 2191 H LYS 228 15 734 7 560 48 345 1 00 0 00 ATOM 2192 CA LYS 228 16 751 5 746 48 676 1 00 14 24 ATOM 2193 CB LYS 228 17 773 6 035 47 582 1 00 17 80 ATOM 2194 CG LYS 228 18 879 6 939 48 084 1 00 18 53 ATOM 2195 CD LYS 228 19 925 7 208 47 046 1 00 24 24 ATOM 2196 CE LYS 228 21 091 7 919 47 693 1 00 25 57 ATOM 2197 NZ LYS 228 21 680 7 085 48 782 1 00 26 31 ATOM 2198 HZ1 LYS 228 20 949 6 908 49 499 1 00 0 00 ATOM 2199 HZ2 LYS 228 22 012 6 178 48 395 1 00 0 00 ATOM 2200 HZ3 LYS 228 22 481 7 585 49 217 1 00 0 00 ATOM 2201 C LYS 228 15 765 4 663 48 258 1 00 14 50 ATOM 2202 O LYS 228 14 730 4 948 47 650 1 00 13 50 ATOM 2203 N PHE 229 16 093 3 424 48 612 1 00 11 73 ATOM 2204 H PHE 229 16 935 3 271 49 091 1 00 0 00 ATOM 2205 CA PHE 229 15 256 2 266 48 331 1 00 11 12 ATOM 2206 CB PHE 229 14 666 1 726 49 633 1 00 10 16 ATOM 2207 CG PHE 229 13. 962 2 761 50 453 1 00 10 70 ATOM 2208 CDl PHE 229 14. 669 3 545 51 364 1 00 10 54 ATOM 2209 CD2 PHE 229 12 596 2 969 50 309 1 00 9 61 ATOM 2210 CEI PHE 229 14 026 4 516 52 112 1 00 9 20 ATOM 2211 CE2 PHE 229 11. 944 3 940 51 057 1 00 9 06 ATOM 2212 CZ PHE 229 12. 657 4 715 51 959 1. 00 9 11 ATOM 2213 C PHE 229 16. 083 1. 168 47. 688 1. 00 12 28 ATOM 2214 O PHE 229 17. 298 1. 086 47 908 1. 00 10 19 - 129 ATOM 2215 N ASP 230 15, .426 0.325 46.898 1, .CO 10..90 ATOM 2216 H ASP 230 14, .463 0 .469 46, .747 1, .CO 0. .00 ATOM 2217 CA ASP 230 16, .105 -0, .786 46, .233 1, .00 12. .50 ATOM 2218 CB ASP 230 15, .298 -1, .275 45, .027 1. .00 11. .22 ATOM 2219 CG ASP 230 15, .537 -0, .441 43, .784 1. .00 14. .98 ATOM 2220 ODI ASP 230 14, .994 -0, .805 42, .725 1, .CO 16. .87 ATOM 2221 OD2 ASP 230 16. .267 0, .569 43, .852 1. .CO 18. .88 ATOM 2222 C ASP 230 16, .353 -1, .947 47. .185 1. .00 10. .65 ATOM 2223 O ASP 230 17, .276 -2. .736 46, .984 1. .00 11. .11 ATOM 2224 N THR 231 15. .529 -2. .047 48. .224 1. .CO 11. .48 ATOM 2225 H THR 231 14. .831 -1. .374 48. .373 1. ,00 0. .00 ATOM 2226 CA THR 231 15. .664 -3. .120 49. .197 1. .00 7. .69 ATOM 2227 CB THR 231 14. .672 -4. .283 48. .916 1. ,00 7. .51 ATOM 2228 OG1 THR 231 13. .326 -3. .812 49. .047 1. ,00 6. .84 ATOM 2229 HG1 THR 231 13. .152 -3, .283 48. .249 1. .00 0. .00 ATOM 2230 CG2 THR 231 14. .867 -4. .851 47. .514 1. ,00 9. .18 ATOM 2231 C THR 231 15. .383 -2. .611 50. .601 1. ,00 8. .28 ATOM 2232 O THR 231 14. .786 -1. .549 50. .787 1. .00 6. .01 ATOM 2233 N LEU 232 15. .803 -3. .394 51. .587 1. ,00 11. .12 ATOM 2234 H LEU 232 16. .301 -4. .202 51. .349 1. .00 0. .00 ATOM 2235 CA LEU 232 15. .576 -3. .069 52. .991 1. ,00 11. .15 ATOM 2236 CB LEU 232 16. .452 -3. .943 53. .890 1. .00 10. .62 ATOM 2237 CG LEU 232 17. .944 -3. .612 53. .890 1. .00 10. .59 ATOM 2238 CDl LEU 232 18. .702 -4. .656 54. .692 1. ,00 9. .60 ATOM 2239 CD2 LEU 232 18, .163 -2. .225 54. .474 1. .CO 9. .95 ATOM 2240 C LEU 232 14, .106 -3, .254 53. .355 .CO 10, .18 ATOM 2241 O LEU 232 13, .591 -2, .556 54, .224 1. .CO 10, .71 ATOM 2242 N TRP 233 13, .433 -4. .188 52, .682 1. .00 7 .94 ATOM 2243 H TRP 233 13, .899 -4. .714 52. .004 1. ,C0 0, .00 ATOM 2244 CA TRP 233 12, .019 -4, .454 52, .930 1. .00 7. .29 ATOM 2245 CB TRP 233 11, .547 -5, .644 52, .082 1. .00 6 .24 ATOM 2246' CG TRP 233 10, .206 -6, .191 52, .486 1, .00 8 .76 ATOM 2247 CD2 TRP 233 -8 .918 -5 .653 52, .152 1, .00 10 .99 ATOM 2248 CE2 TRP 233 -7 .949 -6 .473 52 .772 1 .00 8 .57 ATOM 2249 CΞ3 TRP 233 -8 .487 -4 .551 51 .394 1. .00 10 .97 ATOM 2250 CDl TRP 233 -9 .971 -7 .291 53 .265 1 .CO 9 .24 ATOM 2251 NEI TRP 233 -8 .619 -7 .463 53 .441 1 .CO 9 .83 ATOM 2252 HEI TRP 233 -8 .218 -8 .194 53 .968 1 .00 0 .00 ATOM 2253 CZ2 TRP 233 -6 .577 -6 .229 52 .658 1 .00 9 .97 130 ATOM 2254 CZ3 TRP 233 -7.120 -4.307 51.281 1.00 9.13 ATOM 2255 CH2 TRP 233 -6.183 -5.144 51.913 1.00 11.33 ATOM 2256 C TRP 233 -11.197 -3.207 52.599 1.00 7.04 ATOM 2257 O TRP 233 -10.319 -2.799 53.370 1.00 7.78 ATOM 2258 N GLN 234 -11.503 -2.593 51.461 1.00 8.41 ATOM 2259 H GLN 234 -12.219 -2.958 50.896 1.00 0.00 ATOM 2260 CA GLN 234 -10.803 -1.388 51.014 1.00 9.39 ATOM 2261 CB GLN 234 -11.165 -1.071 49.562 1.00 8.16 ATOM 2262 CG GLN 234 ■ 10.565 -2.062 48.559 1.00 10.01 ATOM 2263 CD GLN 234 -11.154 -1.939 47.158 1.00 12.43 ATOM 2264 OEI GLN 234 -12.366 -2.054 46.969 1.00 11.45 ATOM 2265 NE2 GLN 234 ■ 10.292 -1.740 46.168 1.00 12.16 ATOM 2266 HE21 GLN 234 -9.333 -1.691 46.378 1.00 0.00 ATOM 2267 HE22 GLN 234 • 10.642 -1.644 45.264 1.00 0.00 ATOM 2268 C GLN 234 ■11.057 -0.179 51.916 1.00 8.34 ATOM 2269 O GLN 234 •10.160 0.632 52.140 1.00 11.19 ATOM 2270 N LEU 235 ■ 12.275 -0.065 52.434 1.00 9.44 ATOM 2271 H LEU 235 •12.961 -0.717 52.193 1.00 0.00 ATOM 2272 CA LEU 235 ■ 12.644 1.025 53.336 1.00 9.31 ATOM 2273 CB LEU 235 ■14.137 0.914 53.705 1.00 10.64 ATOM 2274 CG LEU 235 14.799 1.893 54.690 1.00 8.65 ATOM 2275 CDl LEU 235 • 16.276 2.014 54.359 1.00 12.30 ATOM 2276 CD2 LEU 235 14.606 1.444 56.139 1.00 8.88 ATOM 2277 C LEU 235 11.768 0.979 54.592 1.00 10.98 ATOM 2278 O LEU 235 11.118 1.964 54.949 1.00 10.19 ATOM 2279 N VAL 236 11.726 -0.185 55.232 1.00 11.09 ATOM 2280 H VAL 236 12.243 -0.941 54.873 1.00 0.00 ATOM 2281 CA VAL 236 10.941 -0.372 56.446 1.00 13.11 ATOM 2282 CB VAL 236 11.160 -1.792 57.035 1.00 13.64 ATOM 2283 CGI VAL 236 10.210 -2.052 58.198 1.00 9.34 ATOM 2284 CG2 VAL 236 12.606 -1.937 57.497 1.00 9.82 ATOM 2285 C VAL 236 -9.460 -0.122 56.202 1.00 12.74 ATOM 2286 O VAL 236 -8.814 0.617 56.947 1.00 12.87 ATOM 2287 N GLU 237 -8.936 -0.692 55.124 1.00 11.87 ATOM 2288 H GLU 237 -9.506 -1.255 54.555 1.00 0.00 ATOM 2289 CA GLU 237 -7.526 -0.530 54.810 1.00 14.06 ATOM 2290 CB GLU 237 -7.131 -1.443 53.654 1.00 18.30 ATOM 2291 CG GLU 237 -6.010 -2.409 54.009 1.00 27.57 ATOM 2292 CD GLU 237 -6.318 -3.258 55.236 1.00 33.91 - 131 ATOM 2293 OEI GLU 237 -5.411 -3.405 56.082 1.00 36.05 ATOM 2294 OE2 GLU 237 -7.452 -3.781 55.356 1.00 36.98 ATOM 2295 C GLU 237 -7.140 0.911 54.513 1.00 11.41 ATOM 2296 O GLU 237 -6.046 1.347 54.862 1.00 13.53 ATOM 2297 N TYR 238 -8.048 1.651 53.887 1.00 10.99 ATOM 2298 H TYR 238 -8.918 1.250 53.660 1.00 0.00 ATOM 2299 CA TYR 238 -7.811 3.051 53.547 1.00 10.24 ATOM 2300 CB TYR 238 -8.917 3.539 52.616 1.00 8.37 ATOM 2301 CG TYR 238 -8.736 4.938 52.070 1.00 9.95 ATOM 2302 CDl TYR 238 -7.971 5.165 50.923 1.00 11.03 ATOM 2303 CEI TYR 238 -7.866 6.436 50.371 1.00 11.61 ATOM 2304 CD2 TYR 238 -9.385 6.023 52.655 1.00 9.61 ATOM 2305 CE2 TYR 238 -9.286 7.295 52.109 1.00 13.06 ATOM 2306 CZ TYR 238 -8.530 7.494 50.969 1.00 12.38 ATOM 2307 OH TYR 238 -8.461 8.750 50.423 1.00 15.47 ATOM 2308 HH TYR 238 -7.934 8.739 49.623 1.00 0.00 ATOM 2309 C TYR 238 -7.787 3.898 54.819 1.00 12.10 ATOM 2310 O TYR 238 -6.896 4.730 55.014 1.00 10.77 ATOM 2311 N LEU 239 -8.739 3.636 55.709 1.00 12.47 ATOM 2312 H LEU 239 -9.406 2.937 55.527 1.00 0.00 ATOM 2313 CA LEU 239 -8.844 4.371 56.960 1.00 12.96 ATOM 2314 CB LEU 239 -10.225 4.161 57.581 1.00 11.26 ATOM 2315 CG LEU 239 -11.369 4.619 56.659 1.00 14.61 ATOM 2316 CDl LEU 239 -12.723 4.368 57.306 1.00 11.36 ATOM 2317 CD2 LEU 239 -11.208 6.100 56.303 1.00 15.59 ATOM 2318 C LEU 239 -7.713 4.045 57.938 1.00 15.09 ATOM 2319 O LEU 239 -7.609 4.644 59.014 1.00 15.00 ATOM 2320 N LYS 240 -6.881 3.073 57.572 1.00 15.14 ATOM 2321 H LYS 240 -7.069 2.565 56.760 1.00 0.00 ATOM 2322 CA LYS 240 -5.721 2.713 58.380 1.00 17.35 ATOM 2323 CB LYS 240 -5.258 1.284 58.095 1.00 15.90 ATOM 2324 CG LYS 240 -6.069 0.192 58.749 1.00 19.37 ATOM 2325 CD LYS 240 -5.352 -1.147 58.604 1.00 23.39 ATOM 2326 CE LYS 240 -6.141 -2.282 59.234 1.00 26.87 ATOM 2327 NZ LYS 240 -5.449 -3.592 59.076 1.00 27.64 ATOM 2328 HZ1 LYS 240 -4.528 -3.564 59.561 1.00 0.00 ATOM 2329 HZ2 LYS 240 -5.303 -3.797 58.066 1.00 0.00 ATOM 2330 HZ3 LYS 240 -6.056 -4.328 59.485 1.00 0.00 ATOM 2331 C LYS 240 -4.602 3.674 57.988 1.00 18.17 - 132 - ATOM 2332 O LYS 240 -3.741 4.005 58.797 1.00 20.88 ATOM 2333 N LEU 241 -4.624 4.119 56.737 1.00 19.69 ATOM 2334 H LEU 241 -5.346 3.850 56.132 1.00 0.00 ATOM 2335 CA LEU 241 -3.609 5.034 56.235 1.00 24.27 ATOM 2336 CB LEU 241 -3.499 4.927 54.708 1.00 27.48 ATOM 2337 CG LEU 241 -3.315 3.550 54.060 1.00 32.84 ATOM 2338 CDl LEU 241 -3.353 3.698 52.541 1.00 33.90 ATOM 2339 CD2 LEU 241 -2.008 2.909 54.505 1.00 33.04 ATOM 2340 C LEU 241 -3.906 6.483 56.615 1.00 23.86 ATOM 2341 O LEU 241 -2.997 7.237 56.962 1.00 25.78 ATOM 2342 N LYS 242 -5.176 6.870 56.544 1.00 23.81 ATOM 2343 H LYS 242 -5.879 6.232 56.282 1.00 0.00 ATOM 2344 CA LYS 242 -5.581 8.237 56.851 1.00 22.58 ATOM 2345 CB LYS 242 -5.570 9.074 55.565 1.00 25.37 ATOM 2346 CG LYS 242 -6.401 8.478 54.432 1.00 27.76 ATOM 2347 CD LYS 242 -6.085 9.108 53.085 1.00 30.37 ATOM 2348 CE LYS 242 -4.720 8.701 52.554 1.00 28.46 ATOM 2349 NZ LYS 242 -4.450 9.342 51.238 1.00 27.65 ATOM 2350 HZ1 LYS 242 -4.507 10.369 51.346 1.00 0.00 ATOM 2351 HZ2 LYS 242 -5.152 9.021 50.544 1.00 0.00 ATOM 2352 HZ3 LYS 242 -3.496 9.081 50.914 1.00 0.00 ATOM 2353 C LYS 242 -6.955 8.287 57.512 1.00 19.10 ATOM 2354 O LYS 242 -7.853 7.535 57.142 1.00 17.80 ATOM 2355 N ALA 243 -7.110 9.197 58.473 1.00 18.84 ATOM 2356 H ALA 243 -6.329 9.765 58.680 1.00 0.00 ATOM 2357 CA ALA 243 -8.362 9.362 59.214 1.00 17.03 ATOM 2358 CB ALA 243 -8.233 10.489 60.240 1.00 14.93 ATOM 2359 C ALA 243 -9.540 9.620 58.285 1.00 16.79 ATOM 2360 O ALA 243 -10.632 9.098 58.503 1.00 15.85 ATOM 2361 N ASP 244 -9.332 10.486 57.295 1.00 17.15 ATOM 2362 H ASP 244 -8.459 10.915 57.232 1.00 0.00 ATOM 2363 CA ASP 244 -10.359 10.796 56.304 1.00 18.82 ATOM 2364 CB ASP 244 -10.481 9.599 55.347 1.00 18.91 ATOM 2365 CG ASP 244 -11.295 9.904 54.113 1.00 21.74 ATOM 2366 ODI ASP 244 -12.087 9.030 53.712 1.00 23.51 ATOM 2367 OD2 ASP 244 -11.139 10.998 53.533 1.00 25.93 ATOM 2368 C ASP 244 -11.723 11.169 56.923 1.00 19.28 ATOM 2369 O ASP 244 -12.786 10.734 56.461 1.00 17.04 ATOM 2370 N GLY 245 -11.687 11.994 57.963 1.00 18.87 - 133 ATOM 2371 H GLY 245 ■ 10.837 12.330 58.306 1.00 0.00 ATOM 2372 CA GLY 245 •12 .920 12 .402 58 .613 1 .00 18 .84 ATOM 2373 C GLY 245 •13 .123 11 .779 59 .982 1 .00 18 .77 ATOM 2374 O GLY 245 • 13 .863 12 .319 60 .804 1 .00 18 .51 ATOM 2375 N LEU 246 ■12 .503 10 .625 60 .218 1 .00 18 .35 ATOM 2376 H LEU 246 ■ 11 .973 10 .209 59 .505 1 .00 0 .00 ATOM 2377 CA LEU 246 12 .623 9 .949 61 .506 1, .00 18, .30 ATOM 2378 CB LEU 246 12 .066 8 .519 61 .442 1, .00 17, .23 ATOM 2379 CG LEU 246 12, .647 7 .431 60, .534 1. .00 17. .12 ATOM 2380 CDl LEU 246 11 .849 6 .151 60 .746 1, .00 18, .63 ATOM 2381 CD2 LEU 246 14 .104 7 .186 60 .834 1, .00 15, .56 ATOM 2382 C LEU 246 11, .866 10, .707 62 .591 1. .00 18, .47 ATOM 2383 O LEU 246 10, .921 11, .448 62, .307 1. .00 17, .84 ATOM 2384 N ILE 247 12, .253 10. .453 63, .837 1. .00 17. .52 ATOM 2385 H ILE 247 13, .020 9, .857 63, .945 1. .00 0. .00 ATOM 2386 CA ILE 247 11. .636 11. .072 65, .005 1. .00 18. .73 ATOM 2387 CB ILE 247 12. .424 10. .694 66. .302 1. ,00 19. .74 ATOM 2388 CG2 ILE 247 12. .209 9. .225 66. .664 1. ,00 17. .58 ATOM 2389 CGI ILE 247 12. .020 11. .599 67. .463 1. 00 22. .31 ATOM 2390 CD ILE 247 12. .501 13. .023 67. .320 1. ,00 25. .66 ATOM 2391 C ILE 247 10. .163 10. .651 65. .129 1. 00 20. .39 ATOM 2392 O ILE 247 -9. .340 11. .381 65. .680 1. 00 20. .44 ATOM 2393 N TYR 248 -9. .840 9. .475 64. .598 1. ,00 20. .63 ATOM 2394 H TYR 248 10. .512 8. .919 64. .159 1. ,00 0. .00 ATOM 2395 CA TYR 248 -8. .484 8. .937 64. .631 1. 00 21. .07 ATOM 2396 CB TYR 248 -8. .174 8. .391 66. .030 1. 00 20. .66 ATOM 2397 CG TYR 248 -6. .704 8. .168 66. .310 1. ,00 21. .55 ATOM 2398 CDl TYR 248 -6. .212 6. .894 66. .590 1. ,00 23. .90 ATOM 2399 CEI TYR 248 -4. .861 6. .691 66. .884 1. ,00 27. .45 ATOM 2400 CD2 TYR 248 -5. .810 9. .235 66. .327 1. ,00 24. .95 ATOM 2401 CE2 TYR 248 -4. .457 9. .045 66. .622 1. ,00 26. .89 ATOM 2402 CZ TYR 248 -3. .992 7. .773 66. .900 1. ,00 27, .31 ATOM 2403 OH TYR 248 -2. .664 7. .588 67. .209 1. ,00 32. .39 ATOM 2404 HH TYR 248 -2. .203 8. .432 67. .197 1. .00 0, .00 ATOM 2405 C TYR 248 -8. .463 7. .806 63. .602 1. .00 21, .64 ATOM 2406 O TYR 248 -9. .506 7. .223 63. .307 1. ,00 22, .45 ATOM 2407 N CYS 249 -7. .304 7. .510 63. .025 1. ,00 21, .61 ATOM 2408 H CYS 249 -6, .477 7 .958 63, .280 1. .00 0 .00 ATOM 2409 CA CYS 249 -7 .252 6, .444 62, .035 1, .00 22 .88 134 - ATOM 2410 CB CYS 249 -6.102 6.649 61.042 1.00 25.15 ATOM 2411 SG CYS 249 -4 .471 6 .722 61 .779 1 .00 42 .25 ATOM 2412 C CYS 249 -7 .189 5 .068 62 .692 1 .00 21 .47 ATOM 2413 O CYS 249 -6 .787 4 .929 63 .853 1 .00 20 .61 ATOM 2414 N LEU 250 -7 .642 4 .065 61 .952 1 .00 20 .77 ATOM 2415 H LEU 250 -7 .945 4 .257 61 .037 1 .00 0 .00 ATOM 2416 CA LEU 250 -7 .674 2 .687 62 .425 1 .00 20 .19 ATOM 2417 CB LEU 250 -8 .416 1 .820 61 .405 1 .00 18 .49 ATOM 2418 CG LEU 250 -9 .944 1 .724 61 .463 1 .00 17. .48 ATOM 2419 CDl LEU 250 ■ 10 .596 2 .988 61 .983 1 .00 17. .55 ATOM 2420 CD2 LEU 250 ■ 10 .467 1, .353 60 .095 1, .00 11, .95 ATOM 2421 C LEU 250 -6 .274 2, .142 62, .662 1, .00 21. .59 ATOM 2422 O LEU 250 -5, .389 2, .319 61, .829 1, .00 22. .32 ATOM 2423 N LYS 251 -6, .077 1, .480 63, .797 1. .00 23. .42 ATOM 2424 H LYS 251 -6. .834 1. .343 64, .404 1. .00 0. .00 ATOM 2425 CA LYS 251 -4. .776 0, .913 64, .136 1. .00 27, .72 ATOM 2426 CB LYS 251 -4. .191 1. .594 65, .381 1. .00 27. .91 ATOM 2427 CG LYS 251 -3. .938 3. .085 65. .239 1. .00 29. .20 ATOM 2428 CD LYS 251 -2. .882 3. .372 64. .197 1. .00 30. .93 ATOM 2429 CE LYS 251 -2. .677 4. .859 64. .038 1. .00 33. .75 ATOM 2430 NZ LYS 251 -1. .669 5. .159 62. .987 1. .00 38. .98 ATOM 2431 HZ1 LYS 251 -1. .976 4. .774 62. .070 1. .00 0. .00 ATOM 2432 HZ2 LYS 251 -0. .753 4. .744 63. .253 1. .00 0. .00 ATOM 2433 HZ3 LYS 251 -1. .561 6. .191 62. .908 1. .00 0. .00 ATOM 2434 C LYS 251 -4. .837 -0. .603 64. .353 1. .00 31. .01 ATOM 2435 O LYS 251 -4. .768 -1. .385 63. .401 1. .00 34. .63 ATOM 2436 N GLU 252 -4. .991 -1. .013 65. .606 1. .00 31. .53 ATOM 2437 H GLU 252 -5. .146 -0. .377 66. .329 1. .00 0. .00 ATOM 2438 CA GLU 252 -5. .036 -2. .426 65. .952 1. .00 31. .94 ATOM 2439 CB GLU 252 -4. .535 -2. ,629 67. .383 1. ,00 36. .37 ATOM 2440 CG GLU 252 -3. .113 -2. ,136 67. .621 1. .00 47. .65 ATOM 2441 CD GLU 252 -2. .878 -1. ,678 69. .053 1. .00 53. .28 ATOM 2442 OEI GLU 252 -2. .807 -0. ,447 69. .277 1. ,00 56. .81 ATOM 2443 OE2 GLU 252 -2. .770 -2. ,542 69. .952 1. ,00 56. .39 ATOM 2444 C GLU 252 -6. .440 -2. ,993 65. .817 1. ,00 30. .12 ATOM 2445 O GLU 252 -7. .419 -2. .361 66. .213 1. ,00 29. .12 ATOM 2446 N ALA 253 -6. .527 -4. .182 65. .237 1. ,00 26. .83 ATOM 2447 H ALA 253 -5. ,716 -4. ,627 64. .930 1. .00 0. .00 ATOM 2448 CA ALA 253 -7. ,795 -4. ,853 65. .063 1. .00 26. .20 135 ATOM 2449 CB ALA 253 -7.698 -5.868 63.944 1,.00 25.70 ATOM 2450 C ALA 253 -8.149 -5.554 66 .361 1, .00 28.42 ATOM 2451 O ALA 253 -7.276 -6.096 67 .036 1. .00 28.38 ATOM 2452 N CYS 254 -9.414 -5.473 66 .746 1. .00 31.05 ATOM 2453 H CYS 254 -10.046 -4.955 66, .206 1. .00 0.00 ATOM 2454 CA CYS 254 -9.907 -6.143 67, .941 1. .00 32.95 ATOM 2455 CB CYS 254 -11.087 -5.361 68, .533 1. .00 34.98 ATOM 2456 SG CYS 254 -11.787 -6.015 70, .077 1. .00 32.47 ATOM 2457 C CYS 254 -10.372 -7.475 67, .358 1. .00 35.53 ATOM 2458 O CYS 254 -11.391 -7.528 66. .674 1. .00 33.47 ATOM 2459 N PRO 255 -9.584 -8.545 67. .554 1. .00 40.79 ATOM 2460 CD PRO 255 -8.346 -8.542 68. .352 1. ,00 42.81 ATOM 2461 CA PRO 255 -9.865 -9.900 67. .058 1. ,00 45.35 ATOM 2462 CB PRO 255 -8.780 -10.738 67. .733 1. .00 46.01 ATOM 2463 CG PRO 255 -7.643 -9.774 67. .847 1. ,00 43.91 ATOM 2464 C PRO 255 -11.258 -10.437 67. .368 1. ,00 48.63 ATOM 2465 O PRO 255 -12.027 -9.807 68. .088 1. ,00 50.93 ATOM 2466 N ASN 256 -11.549 -11.612 66. .813 1. ,00 52.77 ATOM 2467 H ASN 256 -10.862 -12.052 66. .277 1. ,00 0.00 ATOM 2468 CA ASN 256 -12.825 -12.314 66. .965 1. ,00 56.77 ATOM 2469 CB ASN 256 -12.631 -13.804 66. .654 1. ,00 56.87 ATOM 2470 CG ASN 256 -11.494 -14.430 67. .455 1. ,00 58.22 ATOM 2471 ODI ASN 256 -10.354 -14.507 66. .987 1. ,00 58.21 ATOM 2472 ND2 ASN 256 -11.798 -14.874 68. .666 1. .00 60.09 ATOM 2473 HD21 ASN 256 -12.721 -14.706 68. .970 1. .00 0.00 ATOM 2474 HD22 ASN 256 -11.107 -15.313 69. .188 1. .00 0.00 ATOM 2475 C ASN 256 -13.545 -12.159 68. .308 1. .00 59.22 ATOM 2476 O ASN 256 -12.888 -12.281 69, .365 1. .00 60.95 ATOM 2477 OT ASN 256 -14.776 -11.934 68, .282 1. .00 62.08 ATOM 2478 CB ASN 301 -31.365 5.229 63, .299 1. .00 56.01 ATOM 2479 CG ASN 301 -32.706 5.204 64, .007 1. .00 56.26 ATOM 2480 ODI ASN 301 -33.338 4.151 64, .119 1. .00 54.90 ATOM 2481 ND2 ASN 301 -33.146 6.360 64, .490 1. .00 56.88 ATOM 2482 HD21 ASN 301 -32.620 7.179 64 .396 1, .00 0.00 ATOM 2483 HD22 ASN 301 -34.026 6.336 64 .926 1, .00 0.00 ATOM 2484 C ASN 301 -30.146 4.272 65 .265 1 .00 56.46 ATOM 2485 O ASN 301 -30.767 3.599 66 .093 1 .00 57.32 ATOM 2486 HT1 ASN 301 -31.950 2.747 64 .009 1 .00 0.00 ATOM 2487 HT2 ASN 301 -30.386 2.096 64 .004 1 .00 0.00 - 136 ATOM 2488 N ASN 301 -31.028 2.767 63.513 1.00 55.62 ATOM 2489 HT3 ASN 301 -31.104 2.517 62.501 1.00 0.00 ATOM 2490 CA ASN 301 -30.427 4.112 63.774 1.00 56.70 ATOM 2491 N GLN 302 -29.220 5.167 65.602 1.00 55.38 ATOM 2492 H GLN 302 -28.777 5.736 64.935 1.00 0.00 ATOM 2493 CA GLN 302 -28.849 5.397 66.995 1.00 52.01 ATOM 2494 CB GLN 302 -28.061 4.185 67.520 1.00 54.35 ATOM 2495 CG GLN 302 -28.174 3.927 69.017 1.00 56.79 ATOM 2496 CD GLN 302 -29.560 3.475 69.421 1.00 60.50 ATOM 2497 OEI GLN 302 -30.386 4.280 69.859 1.00 63.09 ATOM 2498 NE2 GLN 302 -29.825 2.182 69.280 1.00 60.40 ATOM 2499 HE21 GLN 302 -29.131 1.575 68.950 1.00 0.00 ATOM 2500 HE22 GLN 302 -30.732 1.904 69.512 1.00 0.00 ATOM 2501 C GLN 302 -27.998 6.670 67.089 1.00 47.72 ATOM 2502 O GLN 302 -28.185 7.614 66.314 1.00 46.40 ATOM 2503 N LEU 303 -27.061 6.677 68.034 1.00 43.29 ATOM 2504 H LEU 303 -26.909 5.925 68.633 1.00 0.00 ATOM 2505 CA LEU 303 -26.165 7.802 68.260 1.00 36.89 ATOM 2506 CB LEU 303 -25.966 7.986 69.764 1.00 38.96 ATOM 2507 CG LEU 303 -27.251 7.951 70.594 1.00 42.01 ATOM 2508 CDl LEU 303 -26.952 7.491 72.007 1.00 41.24 ATOM 2509 CD2 LEU 303 -27.926 9.316 70.572 1.00 43.88 ATOM 2510 C LEU 303 -24.824 7.489 67.595 1.00 31.37 ATOM 2511 O LEU 303 -23.917 6.942 68.228 1.00 31.51 ATOM 2512 N PTY 304 -24.712 7.799 66.309 1.00 25.51 ATOM 2513 H PTY 304 -25.443 8.263 65.853 1.00 0.00 ATOM 2514 CA PTY 304 -23.481 7.545 65.572 1.00 22.04 ATOM 2515 CB PTY 304 -23.774 6.882 64.224 1.00 18.08 ATOM 2516 CG PTY 304 -24.310 5.478 64.358 1.00 16.80 ATOM 2517 CDl PTY 304 -23.459 4.375 64.296 1.00 15.50 ATOM 2518 CEI PTY 304 -23.950 3.078 64.462 1.00 17.12 ATOM 2519 CD2 PTY 304 -25.662 5.253 64.580 1.00 18.22 ATOM 2520 CE2 PTY 304 -26.160 3.971 64.743 1.00 18.21 ATOM 2521 CZ PTY 304 -25.305 2.889 64.687 1.00 16.53 ATOM 2522 OH PTY 304 -25.840 1.637 64.857 1.00 15.66 ATOM 2523 ORI PTY 304 -26.848 1.189 66.998 1.00 17.78 ATOM 2524 OR2 PTY 304 -24.474 1.199 66.960 1.00 13.33 ATOM 2525 OR3 PTY 304 -25.836 -0.551 65.882 1.00 19.12 ATOM 2526 PR PTY 304 -25.659 0.847 66.222 1.00 16.13 137 - ATOM 2527 C PTY 304 22.717 8.839 65.375 1 00 20 65 ATOM 2528 0 PTY 304 23 .313 9 .909 65 .272 1 00 23 13 ATOM 2529 N ASN 305 21 .396 8 .741 65 .358 1 00 18 57 ATOM 2530 H ASN 305 21 .009 7 .863 65 .445 1 00 0 00 ATOM 2531 CA ASN 305 20 .545 9 907 65 .189 1 00 20 26 ATOM 2532 CB ASN 305 19 157 9 625 65 764 1 00 19 11 ATOM 2533 CG ASN 305 19 197 9 305 67 241 1 00 21 22 ATOM 2534 ODI ASN 305 19 003 10 180 68 084 1 00 24 78 ATOM 2535 ND2 ASN 305 19 481 8 054 67 567 1 00 20 41 ATOM 2536 HD21 ASN 305 19 675 7 444 66 829 1 00 0 00 ATOM 2537 HD22 ASN 305 19 499 7 805 68 .521 1 00 0 00 ATOM 2538 C ASN 305 20 452 10 333 63 725 1 00 20 42 ATOM 2539 O ASN 305 20 549 9 503 62 819 1 00 21 37 ATOM 2540 N GLU 306 20 295 11 635 63 506 1 00 21 58 ATOM 2541 H GLU 306 20 232 12 234 64 271 1 00 0 00 ATOM 2542 CA GLU 306 20 191 12 203 62 165 1 00 22 52 ATOM 2543 CB GLU 306 20 911 13 556 62 093 1 00 28 56 ATOM 2544 CG GLU 306 22 411 13 510 62 344 1 00 37 30 ATOM 2545 CD GLU 306 23 053 14 889 62 283 1 00 41 64 ATOM 2546 OEI GLU 306 22 761 15 719 63 169 1 00 43 36 ATOM 2547 OE2 GLU 306 23 846 15 143 61 349 1 00 45 10 ATOM 2548 C GLU 306 18 729 12 416 61 791 1 00 20 22 ATOM 2549 O GLU 306 17 859 12 502 62 665 1 00 20 01 ATOM 2550 N LEU 307 18 469 12 528 60 493 1 00 18 25 ATOM 2551 H LEU 307 19 208 12 499 59 842 1 00 0 00 ATOM 2552 CA LEU 307 17 118 12 747 60 005 1 00 16 72 ATOM 2553 CB LEU 307 16 995 12 307 58 544 1 00 16 17 ATOM 2554 CG LEU 307 17 056 10 831 58 166 1 00 13 26 ATOM 2555 CDl LEU 307 16 950 10 720 56 658 1 00 14 79 ATOM 2556 CD2 LEU 307 15 921 10 .075 58 829 1 00 12 43 ATOM 2557 C LEU 307 16 778 14 223 60 080 1 00 18 93 ATOM 2558 O LEU 307 17 632 15 .075 59 843 1 00 19 72 ATOM 2559 N ASN 308 15 544 14 .529 60 455 1 00 18 95 ATOM 2560 H ASN 308 14 .946 13 .819 60 .757 1 00 0 00 ATOM 2561 CA ASN 308 15 .108 15 .913 60 .479 1 00 22 .39 ATOM 2562 CB ASN 308 13 .848 16 .076 61 .324 1 00 22 .65 ATOM 2563 CG ASN 308 13 .325 17 .502 61 .322 1 00 24 .93 ATOM 2564 ODI ASN 308 13 .764 18 .348 60 .540 1 .00 23 .61 ATOM 2565 ND2 ASN 308 12 .363 17 .769 62 .186 1 .00 29 .91 138 - ATOM 2566 HD21 ASN 308 -12.039 17.026 62.740 1.00 0.00 ATOM 2567 HD22 ASN 308 -12.030 18.689 62.233 1.00 0.00 ATOM 2568 C ASN 308 -14.800 16.173 59.012 1.00 22.77 ATOM 2569 O ASN 308 -13.728 15.821 58.519 1.00 22.81 ATOM 2570 N LEU 309 -15.770 16.733 58.305 1.00 25.79 ATOM 2571 H LEU 309 -16.614 16.937 58.764 1.00 0.00 ATOM 2572 CA LEU 309 -15.624 17.002 56.884 1.00 29.56 ATOM 2573 CB LEU 309 -16.937 17.546 56.316 1.00 30.40 ATOM 2574 CG LEU 309 -18.120 16.573 56.465 1.00 31.06 ATOM 2575 CDl LEU 309 -19.365 17.171 55.845 1.00 29.69 ATOM 2576 CD2 LEU 309 -17.802 15.229 55.814 1.00 28.45 ATOM 2577 C LEU 309 -14.433 17.879 56.496 1.00 32.74 ATOM 2578 O LEU 309 -13.980 17.840 55.352 1.00 34.00 ATOM 2579 N GLY 310 -13.896 18.628 57.453 1.00 34.39 ATOM 2580 H GLY 310 -14.259 18.618 58.363 1.00 0.00 ATOM 2581 CA GLY 310 -12.749 19.471 57.166 1.00 37.43 ATOM 2582 C GLY 310 -11.451 18.694 56.967 1.00 40.37 ATOM 2583 O GLY 310 -10.494 19.212 56.382 1.00 42.20 ATOM 2584 N ARG 311 -11.411 17.454 57.453 1.00 39.39 ATOM 2585 H ARG 311 -12.204 17.096 57.902 1.00 0.00 ATOM 2586 CA ARG 311 -10.220 16.613 57.334 1.00 37.84 ATOM 2587 CB ARG 311 -9.912 15.938 58.673 1.00 38.89 ATOM 2588 CG ARG 311 -9.364 16.864 59.737 1.00 42.25 ATOM 2589 CD ARG 311 -9.096 16.101 61.022 1.00 47.16 ATOM 2590 NE ARG 311 -10.323 15.546 61.587 1.00 51.46 ATOM 2591 HE ARG 311 -11.178 15.829 61.204 1.00 0.00 ATOM 2592 CZ ARG 311 -10.364 14.671 62.588 1.00 53.11 ATOM 2593 NHI ARG 311 -9.242 14.231 63.145 1.00 54.45 ATOM 2594 HH11 ARG 311 -8.350 14.554 62.828 1.00 0.00 ATOM 2595 HH12 ARG 311 -9.301 13.580 63.901 1.00 0.00 ATOM 2596 NH2 ARG 311 -11.535 14.255 63.054 1.00 54.64 ATOM 2597 HH21 ARG 311 -12.383 14.597 62.652 1.00 0.00 ATOM 2598 HH22 ARG 311 -11.568 13.601 63.810 1.00 0.00 ATOM 2599 C ARG 311 -10.306 15.545 56.246 1.00 35.04 ATOM 2600 O ARG 311 -9.479 14.632 56.201 1.00 35.34 ATOM 2601 N ARG 312 -11.315 15.639 55.389 1.00 34.68 ATOM 2602 H ARG 312 -11.927 16.402 55.451 1.00 0.00 ATOM 2603 CA ARG 312 -11.484 14.668 54.316 1.00 34.78 ATOM 2604 CB ARG 312 -12.882 14.766 53.706 1.00 35.31 139 - ATOM 2605 CG ARG 312 ■ 13.947 13.942 54,.403 1,.00 36.14 ATOM 2606 CD ARG 312 ■ 15 .085 13 .646 53, .436 1, .00 37 .95 ATOM 2607 NE ARG 312 ■ 14, .597 12. .970 52, .232 1, .00 37 .17 ATOM 2608 HE ARG 312 13 .715 12. .542 52, .265 1, .00 0 .00 ATOM 2609 CZ ARG 312 15. .268 12, .882 51. .086 1. .00 37. .05 ATOM 2610 NHI ARG 312 16, .473 13, .423 50. .966 1. .00 38, .97 ATOM 2611 HH11 ARG 312 16. .899 13. .908 51. .731 1. .00 0. .00 ATOM 2612 HH12 ARG 312 16, .956 13. .348 50. .094 1. .00 0. .00 ATOM 2613 NH2 ARG 312 14, .721 12, .271 50. .044 1. .00 36. .61 ATOM 2614 HH21 ARG 312 13. .804 11. .879 50. .127 1. .00 0. .00 ATOM 2615 HH22 ARG 312 15. .225 12. .194 49. .185 1. .00 0. .00 ATOM 2616 C ARG 312 10. .449 14. .829 53. .209 1. .00 36. .45 ATOM 2617 O ARG 312 -9. .953 15. .929 52. .957 1. .00 35. .30 ATOM 2618 N GLU 313 10. .121 13. .715 52. .560 1. .00 37. .25 ATOM 2619 H GLU 313 10. .548 12. .871 52. .795 1. .00 0. .00 ATOM 2620 CA GLU 313 -9. .169 13. ,713 51. .459 1. ,00 37. .51 ATOM 2621 CB GLU 313 -8. .586 12. .317 51. .249 1. ,00 39. .21 ATOM 2622 CG GLU 313 -7. .367 12. .039 52. .100 1. .00 42. .52 ATOM 2623 CD GLU 313 -6. .114 12. .722 51. .576 1. ,00 43. .09 ATOM 2624 OEI GLU 313 -5. .282 12. .027 50. .962 1. ,00 44. .41 ATOM 2625 OE2 GLU 313 -5. .954 13. .945 51. .778 1. ,00 44. .79 ATOM 2626 C GLU 313 -9. .903 14. .162 50. .214 1. ,00 35. .75 ATOM 2627 O GLU 313 10. .973 13. .639 49. .894 1. .00 37. .66 ATOM 2628 N GLU 314 -9. .332 15. .139 49. .523 1. .00 33. .41 ATOM 2629 H GLU 314 -8, .466 15. .487 49. .818 1. .00 0, .00 ATOM 2630 CA GLU 314 -9, .939 15, .683 48, .319 1. .00 31, .60 ATOM 2631 CB GLU 314 -9. .771 17. .214 48. .305 1. .00 37, .69 ATOM 2632 CG GLU 314 10. .165 17. .916 46. .999 1. .00 46. .27 ATOM 2633 CD GLU 314 -8. .965 18. .483 46. .233 1. .00 51, .86 ATOM 2634 OEI GLU 314 -8, .667 19, .689 46, .391 1, .00 54 .73 ATOM 2635 OE2 GLU 314 -8 .322 17 .728 45, .468 1, .00 53 .64 ATOM 2636 C GLU 314 -9, .363 15, .083 47, .043 1. .00 25. .93 ATOM 2637 O GLU 314 -8, .152 14 .916 46 .918 1, .00 24 .72 ATOM 2638 N PTY 315 10 .249 14 .729 46 .119 1 .00 21 .35 ATOM 2639 H PTY 315 11 .206 14 .843 46 .282 1 .00 0 .00 ATOM 2640 CA PTY 315 -9 .854 14 .204 44 .820 1 .00 19 .78 ATOM 2641 CB PTY 315 ■10 .482 12 .839 44 .544 1 .00 17 .55 ATOM 2642 CG PTY 315 -9 .678 11 .690 45 .091 1 .00 14 .77 ATOM 2643 CDl PTY 315 -8 .575 11 .196 44 .396 1 .00 9 .06 140 - ATOM 2644 CEI PTY 315 -7.808 10.163 44.916 1.00 12.12 ATOM 2645 CD2 PTY 315 -9.998 11.117 46.319 1.00 14.36 ATOM 2646 CE2 PTY 315 -9.239 10.085 46.847 1.00 14.01 ATOM 2647 CZ PTY 315 -8.146 9.612 46.145 1.00 14.96 ATOM 2648 OH PTY 315 -7.408 8.580 46.682 1.00 15.26 ATOM 2649 ORI PTY 315 -6.224 9.301 48.730 1.00 15.27 ATOM 2650 OR2 PTY 315 -5.231 9.872 46.712 1.00 14.33 ATOM 2651 OR3 PTY 315 -5.246 7.621 47.409 1.00 16.50 ATOM 2652 PR PTY 315 -6.018 8.864 47.331 1.00 14.86 ATOM 2653 C PTY 315 -10.349 15.218 43.808 1.00 21.32 ATOM 2654 O PTY 315 -11.354 15.892 44.034 1.00 22.46 ATOM 2655 N ASP 316 -9.629 15.351 42.707 1.00 22.70 ATOM 2656 H ASP 316 -8.875 14.753 42.558 1.00 0.00 ATOM 2657 CA ASP 316 -10.009 16.306 41.684 1.00 24.09 ATOM 2658 CB ASP 316 -8.770 16.826 40.954 1.00 24.94 ATOM 2659 CG ASP 316 -7.853 17.622 41.860 1.00 28.90 ATOM 2660 ODI ASP 316 -7.849 18.865 41.756 1.00 32.00 ATOM 2661 OD2 ASP 316 -7.140 17.004 42.681 1.00 29.88 ATOM 2662 C ASP 316 -10.981 15.691 40.698 1.00 24.49 ATOM 2663 O ASP 316 -11.148 14.473 40.646 1.00 23.60 ATOM 2664 N VAL 317 -11.644 16.559 39.948 1.00 27.16 ATOM 2665 H VAL 317 -11.475 17.521 40.029 1.00 0.00 ATOM 2666 CA VAL 317 -12.605 16.155 38.934 1.00 32.09 ATOM 2667 CB VAL 317 -14.069 16.266 39.437 1.00 35.09 ATOM 2668 CGI VAL 317 -14.375 15.156 40.434 l.CO 36.22 ATOM 2669 CG2 VAL 317 -14.314 17.636 40.066 l.CO 36.89 ATOM 2670 C VAL 317 -12.410 17.095 37.757 1.00 30.78 ATOM 2671 O VAL 317 •-11.807 18.159 37.906 1.00 28.67 ATOM 2672 N LEU 318 -12.871 16.684 36.583 1.00 33.70 ATOM 2673 H LEU 318 -13.315 15.816 36.543 1.00 0.00 ATOM 2674 CA LEU 318 -12.745 17.513 35.395 1.00 36.88 ATOM 2675 CB LEU 318 -13.044 16.699 34.138 1.00 34.38 ATOM 2576 CG LEU 318 -12.133 15.505 33.854 1.00 32.08 ATOM 2677 CDl LEU 318 -12.560 14.864 32.553 1.00 33.40 ATOM 2678 CD2 LEU 318 -10.678 15.939 33.775 1.00 30.49 ATOM 2679 C LEU 318 -13.698 18.700 35.492 1.00 41.41 ATOM 2680 O LEU 318 -14.768 18.604 36.108 1.00 41.34 ATOM 2681 N ASP 319 -13.282 19.821 34.911 1.00 46.71 ATOM 2682 H ASP 319 -12.447 19.843 34.406 1.00 0.00 141 SHEET RULE 25 ATOM 2683 CA ASP 319 14.072 21,.048 34.913 .00 51..29 ATOM 2684 CB ASP 319 13 .204 22, .239 35 .340 1. .00 53. .24 ATOM 2685 CG ASP 319 11 .958 22. .400 34, .479 1, .00 55. .43 ATOM 2686 ODI ASP 319 12, .065 22. .950 33, .361 1, .00 58. .31 ATOM 2687 OD2 ASP 319 10, .868 21. .982 34, .923 1. .00 58. .61 ATOM 2688 C ASP 319 14, .682 21. .306 33. .535 1. .00 52. .86 ATOM 2689 O ASP 319 14. .195 20. .701 32. .549 1. .00 53. .27 ATOM 2690 OT ASP 319 15. .634 22. .114 33. .459 1. .00 54. .58 ATOM 2691 OH2 H20 501 16. .395 6. .573 53. .935 1. .00 13. .04 ATOM 2692 HI H20 501 15, .625 7. .149 54. .126 1. .00 0. .00 ATOM 2693 H2 H20 501 16. .189 6. .220 53. .062 1. .00 0. .00 ATOM 2694 OH2 H20 502 -6. .900 -1. .703 48. .537 1. .00 15. .81 ATOM 2695 HI H20 502 -6. .073 -2. .133 48. .827 1. .00 0. .00 ATOM 2696 H2 H20 502 -7. .012 -1. .023 49. .224 1. ,00 C. .00 ATOM 2697 OH2 H20 503 -7. .775 0. .446 50. .612 1. ,00 12. .12 ATOM 2698 HI H20 503 -8. .328 0. .785 51. .329 1. .00 0. .00 ATOM 2699 H2 H20 503 -8. .364 0. .608 49. .869 1. .00 0. .00 ATOM 2700 OH2 H20 504 -5. .965 5. .376 45. .701 1. .00 13. .82 ATOM 2701 HI H20 504 -5. .838 6. .191 46. .188 1. .00 0. .00 ATOM 2702 H2 H20 504 -5. .040 5. .192 45. .431 1. .00 0. .00 ATOM 2703 OH2 H20 505 14. .971 -6. .776 51. .457 1. .00 11. .75 ATOM 2704 HI H20 505 14. .401 -7. .005 50. .693 1. .00 0. .00 ATOM 2705 H2 H20 505 15. .747 -6. .411 50. .986 1. .00 0. .00 ATOM 2706 OH2 H20 506 -7, .399 -1. .565 45. .723 1_ .00 20. .80 ATOM 2707 HI H20 506 -6, .869 -0. .820 45. .388 .00 0, .00 ATOM 2708 H2 H20 506 -7, .127 -1. .603 46. .669 1. .00 0, .00 ATOM 2709 OH2 H20 507 -3, .458 7, .189 49, .505 1. .00 12, .46 ATOM 2710 HI H20 507 -3, .854 6. .375 49. .171 1. .00 0, .00 ATOM 2711 H2 H20 507 -4, .035 7, .857 49, .121 1. .00 0. .00 ATOM 2712 OH2 H20 508 19, .524 4. .162 75, .938 1. .00 31, .54 ATOM 2713 HI H20 508 20, .107 4, .703 76, .513 1. .00 0. .00 ATOM 2714 H2 H20 508 19, .510 4, .732 75, .158 1, .00 0. .00 ATOM 2715 OH2 H20 509 11, .153 11. .020 41, .619 1, .00 23 .22 ATOM 2716 HI H20 509 10, .658 10, .668 40, .869 1, .00 0 .00 ATOM 2717 H2 H20 509 10 .757 11, .895 41 .712 1 .00 0 .00 ATOM 2718 OH2 H20 510 17 .729 -5 .463 50 .658 1 .00 8 .16 ATOM 2719 HI H20 510 18 .166 -5 .105 49 .866 1. .00 0 .00 ATOM 2720 H2 H20 510 18 .454 -6 .018 50 .978 1 .00 0 .00 ATOM 2721 OH2 H20 511 -2 .939 4 .711 45 .111 1 .00 12 .99 - 142 - SUBSTITUTE SHEET (RULE 25) ATOM 2722 HI H20 511 -2.168 4.703 45.673 1..00 0.00 ATOM 2723 H2 H20 511 -2.789 3 .917 44 .596 1. .00 0 .00 ATOM 2724 OH2 H20 512 -14.697 8 .482 54 .840 1 .00 28 .53 ATOM 2725 HI H20 512 -15.286 8 .807 55 .530 1, .00 0 .00 ATOM 2726 H2 H20 512 -13.856 8 .877 55 .112 1, .00 0 .00 ATOM 2727 OH2 H20 513 -4.301 -4 .082 45 .672 1, .00 22, .83 ATOM 2728 HI H20 513 -3.747 -3 .518 45 .097 1, .00 0 .00 ATOM 2729 H2 H20 513 -5.176 -3. .940 45, .269 1. .00 0. .00 ATOM 2730 0H2 H20 514 -21.713 7 .798 61 .095 1. .00 18, .35 ATOM 2731 HI H20 514 -21.035 8 .271 61. .588 1. .00 0, .00 ATOM 2732 H2 H20 514 -22.251 8 .537 60 .778 1. .00 0. .00 ATOM 2733 OH2 H20 515 -10.843 5 .000 40, .733 1. .00 28. .99 ATOM 2734 HI H20 515 -10.540 4, .529 41, .519 1. .00 0, .00 ATOM 2735 H2 H20 515 -10.110 4, .889 40, .111 1. .00 0. .00 ATOM 2736 OH2 H20 516 1.069 6, .001 27, .806 1. .00 27. .31 ATOM 2737 HI H20 516 1.435 6, .888 27. .776 1. ,00 0. .00 ATOM 2738 H2 H20 516 0.143 6, .122 27, .559 1. .00 0. .00 ATOM 2739 OH2 H20 517 -4.403 -3 ' , .111 48. .506 1. .00 19. .12 ATOM 2740 HI H20 517 -4.371 -3. .215 47, .537 1. .00 0. .00 ATOM 2741 H2 H20 517 -3.595 -2, .596 48. .690 1. .00 0. .00 ATOM 2742 OH2 H20 518 -20.848 12. .059 58. .636 1. .00 30. .17 ATOM 2743 HI H20 518 -20.732 12. .086 57. .675 1. ,00 0. .00 ATOM 2744 H2 H20 518 -21.337 11. .237 58. .756 1. .00 0. .00 ATOM 2745 OH2 H20 519 -7.330 -4. .001 44. .530 1. .00 20. .45 ATOM 2746 HI H20 519 -7.479 -3, .098 44, .898 1. .00 0. .00 ATOM 2747 H2 H20 519 -7.935 -4. .524 45. .062 1. ,00 0, .00 ATOM 2748 OH2 H20 520 -12.664 0, .989 38, .964 1. .00 15, .59 ATOM 2749 HI H20 520 -12.180 0, .157 39, .070 1. .00 0. .00 ATOM 2750 H2 H20 520 -13.550 0, .682 39, .238 1. .00 0, .00 ATOM 2751 OH2 H20 521 -11.379 10. .139 30, .946 1. .00 26. .07 ATOM 2752 HI H20 521 -11.624 10. .977 30, .530 1. .00 0. .00 ATOM 2753 H2 H20 521 -11.994 9. .525 30. .519 1. .00 0, .00 ATOM 2754 OH2 H20 522 -15.662 9, .282 47, .198 1. .00 17, .30 ATOM 2755 HI H20 522 -15.240 9. .703 46. .450 1. .00 0, .00 ATOM 2756 H2 H20 522 -16.316 9, .967 47, .478 1. .00 0, .00 ATOM 2757 OH2 H20 523 -11.947 -18. .788 49. .297 1. .00 31, .49 ATOM 2758 HI H20 523 -11.710 -18, .432 48, .437 1. .00 0 .00 ATOM 2759 H2 H20 523 -12.293 -17, .992 49, .754 1. .00 0 .00 ATOM 2760 OH2 H20 524 6.740 2, .001 42, .957 1. .00 21, .38 143 ATOM 2761 HI H20 524 5.847 2.141 43.289 1 00 0 00 ATOM 2762 H2 H20 524 6 .864 1 .047 42 .981 1 00 0 00 ATOM 2763 OH2 H20 525 -8 .682 6 .518 44 .398 1 00 27 19 ATOM 2764 HI H20 525 -7 .791 6 .155 44 .453 1 00 0 00 ATOM 2765 H2 H20 525 -8 649 7 .215 45 061 1 00 0 00 ATOM 2766 OH2 H20 526 14 840 3 578 44 839 1 00 22 05 ATOM 2767 HI H20 526 15 .718 3 .347 45 .149 1 00 0 00 ATOM 2768 H2 H20 526 14 551 4 .227 45 498 1 00 0 00 ATOM 2769 OH2 H20 527 4 492 23 057 38 874 1 00 25 33 ATOM 2770 HI H20 527 4 800 22 472 38 173 1 00 0 00 ATOM 2771 H2 H20 527 5 246 22 944 39 473 1 00 0 00 ATOM 2772 OH2 H20 528 0 375 -17 917 41 574 1 00 56 36 ATOM 2773 HI H20 528 -0 351 -18 113 42 169 1 00 0 00 ATOM 2774 H2 H20 528 -0 043 -17 548 40 796 1 00 0 00 ATOM 2775 OH2 H20 529 7 016 14 850 51 046 1 00 20 70 ATOM 2776 HI H20 529 6 142 14 448 50 870 1 00 0 00 ATOM 2777 H2 H20 529 6 980 15 645 50 511 1 00 0 00 ATOM 2778 OH2 H20 530 -7 683 -1 801 42 232 1 00 34 83 ATOM 2779 HI H20 530 -8 052 -1 273 42 957 1. 00 0 00 ATOM 2780 H2 H20 530 -7 249 -2 522 42 702 1 00 0 00 ATOM 2781 OH2 H20 531 21 235 6 653 69 461 1 00 40 97 ATOM 2782 HI H20 531 22 089 6 966 69 119 1 00 0 00 ATOM 2783 H2 H20 531 21 371 6 744 70 411 1 00 0 00 ATOM 2784 OH2 H20 532 0 051 -0 240 27 111 1 00 38 10 ATOM 2785 HI H20 532 -0 526 -0 554 26 406 1 00 0 00 ATOM 2786 H2 H20 532 0 153 0 695 26 895 1 00 0 00 ATOM 2787 OH2 H20 533 4 720 13 526 50 274 1 00 24 25 ATOM 2788 HI H20 533 3 779 13 360 50 353 1 00 0 00 ATOM 2789 H2 H20 533 5 030 12 691 49 901 1 00 0 00 ATOM 2790 OH2 H20 535 24 439 -4 493 65 220 1 00 19 .89 ATOM 2791 HI H20 535 23 921 -4 800 64 468 1 00 0 00 ATOM 2792 H2 H20 535 23 970 -4 918 65 943 1 00 0 00 ATOM 2793 OH2 H20 536 24 821 -8 124 64 414 1 00 26 .52 ATOM 2794 HI H20 536 25 733 -8 .277 64 141 1 00 0 .00 ATOM 2795 H2 H20 536 24 .637 -7 .232 64 .092 1 00 0 .00 ATOM 2796 OH2 H20 537 -1 .448 9 .507 51 .754 1 .00 14 .14 ATOM 2797 HI H20 537 -2 .234 9 .866 52 .178 1 .00 0 .00 ATOM 2798 H2 H20 537 -1 .227 8 .752 52 .319 1 .00 0 .00 ATOM 2799 OH2 H20 538 19 .810 -23 .909 45 .616 1 .00 42 .72 - 144 - SUBSTITUTE SHEET (RULE 25) ATOM 2800 HI H20 538 -20.226 -24.776 45.518 1.00 0.00 ATOM 2801 H2 H20 538 -19.298 -24.029 46.420 1.00 0.00 ATOM 2802 OH2 H20 539 -6.034 -10.821 42.457 1.00 29.94 ATOM 2803 HI H20 539 -6.800 -10.777 43.033 1.00 0.00 ATOM 2804 H2 H20 539 -5.304 -10.964 43.068 1.00 0.00 ATOM 2805 OH2 H20 540 -20.033 10.958 50.001 1.00 31.83 ATOM 2806 HI H20 540 -19.256 10.718 50.512 1.00 0.00 ATOM 2807 H2 H20 540 -20.491 10.121 49.920 1.00 0.00 ATOM 2808 OH2 H20 541 -5.125 -7.851 62.359 1.00 38.63 ATOM 2809 HI H20 541 -4.372 -8.168 61.862 1.00 0.00 ATOM 2810 H2 H20 541 -5.411 -7.104 61.798 1.00 0.00 ATOM 2811 OH2 H20 542 -1.080 20.333 46.689 1.00 26.15 ATOM 2812 HI H20 542 -1.337 19.477 47.057 1.00 0.00 ATOM 2813 H2 H20 542 -1.916 20.809 46.638 1.00 0.00 ATOM 2814 OH2 H20 543 5.975 26.290 37.583 1.00 43.59 ATOM 2815 HI H20 543 6.265 26.840 36.852 1.00 0.00 ATOM 2816 H2 H20 543 6.741 26.247 38.153 1.00 0.00 ATOM 2817 OH2 H20 544 -13.632 -13.848 50.081 1.00 27.21 ATOM 2818 HI H20 544 -13.441 -13.263 50.817 1.00 0.00 ATOM 2819 H2 H20 544 -13.685 -13.228 49.342 1.00 0.00 ATOM 2820 OH2 H20 545 6.897 4.096 46.579 1.00 32.58 ATOM 2821 HI H20 545 7.538 4.515 47.182 1.00 0.00 ATOM 2822 H2 H20 545 7.296 3.250 46.353 1.00 0.00 ATOM 2823 OH2 H20 546 -19.007 6.577 73.627 1.00 51.06 ATOM 2824 HI H20 546 -18.833 7.495 73.390 1.00 0.00 ATOM 2825 H2 H20 546 -18.795 6.148 72.791 1.00 0.00 ATOM 2826 OH2 H20 547 -0.107 9.991 22.576 1.00 43.45 ATOM 2827 HI H20 547 -0.622 10.655 23.054 1.00 0.00 ATOM 2828 H2 H20 547 0.140 10.441 21.766 1.00 0.00 ATOM 2829 OH2 H20 549 -20.845 -8.815 51.470 1.00 32.88 ATOM 2830 HI H20 549 -20.910 -9.731 51.186 1.00 0.00 ATOM 2831 H2 H20 549 -20.734 -8.346 50.637 1.00 0.00 ATOM 2832 OH2 H20 550 -18.995 -8.847 74.340 1.00 33.79 ATOM 2833 HI H20 550 -19.031 -9.373 73.541 1.00 0.00 ATOM 2834 H2 H20 550 -18.620 -8.012 74.046 1.00 0.00 ATOM 2835 OH2 H20 551 -29.193 1.529 65.322 1.00 28.70 ATOM 2836 HI H20 551 -29.521 1.026 66.091 1.00 0.00 ATOM 2837 H2 H20 551 -28.243 1.541 65.504 1.00 0.00 ATOM 2838 OH2 H20 552 -9.376 -14.036 60.634 1.00 39.70 145 ATOM 2839 HI H20 552 -9.678 -14.141 59.724 1.00 0.00 ATOM 2840 H2 H20 552 -8 .558 -14 .547 60 .629 1 .00 0 .00 ATOM 2841 OH2 H20 553 15 .303 7 .535 43 .610 1 .00 43 .10 ATOM 2842 HI H20 553 15 .256 8 .508 43 .528 1 .00 0 .00 ATOM 2843 H2 H20 553 14 .945 7 .223 42 .779 1 .00 0 .00 ATOM 2844 OH2 H20 554 -6 .351 -6 .041 58 .195 1 .00 39 .35 ATOM 2845 HI H20 554 -5 .433 -5 .940 58 .470 1 .00 0, .00 ATOM 2846 H2 H20 554 -6 .453 -6, .976 58 .404 1, .00 0, .00 ATOM 2847 OH2 H20 555 26 .688 -2, .898 68 .239 1. .00 26, .60 ATOM 2848 HI H20 555 27, .261 -2. .128 68, .123 1. .00 0. .00 ATOM 2849 H2 H20 555 26, .730 -3. .318 67, .372 1. .00 0. .00 ATOM 2850 OH2 H20 556 27, .507 -2. .530 64, .808 1. .00 35. .40 ATOM 2851 HI H20 556 26. .716 -3. .098 64, .836 1. .00 0. .00 ATOM 2852 H2 H20 556 27, .089 -1. .666 64, .684 1. ,00 0. .00 ATOM 2853 OH2 H20 557 -3, .466 0. .091 55. .103 1. ,00 31. .58 ATOM 2854 HI H20 557 -4, .116 0. .662 54. .672 1. ,00 0. .00 ATOM 2855 H2 H20 557 -3. .730 0. .129 56. .022 1. ,00 0. .00 ATOM 2856 OH2 H20 558 17. .363 11. .081 48. .313 1. ,00 34. .37 ATOM 2857 HI H20 558 18. .067 11. .741 48. .280 1. ,00 0. .00 ATOM 2858 H2 H20 558 17. .568 10. .638 49. .148 1. 00 0. ,00 ATOM 2859 OH2 H20 559 -5. .182 1. .100 51. .170 1. ,00 35. ,10 ATOM 2860 HI H20 559 -6. .102 0. .891 50. .910 1. ,00 0. ,00 ATOM 2861 H2 H20 559 -4. .870 0. .273 51. .539 1. ,00 0. ,00 ATOM 2862 OH2 H20 560 -1. .672 -2. .171 49. .168 1. ,00 30. ,93 ATOM 2863 HI H20 560 -1. .378 -1. .786 48. .327 1. ,00 0. .00 ATOM 2864 H2 H20 560 -1. .186 -1. .638 49. .811 1. ,00 0. .00 ATOM 2865 OH2 H20 561 12. .968 -16. .434 50. .268 1. ,00 38. .85 ATOM 2866 HI H20 561 13. .869 -16. .305 49. .955 1. ,00 0. .00 ATOM 2867 H2 H20 561 12. .756 -15. .504 50, .450 1. ,00 0. .00 ATOM 2868 OH2 H20 563 8. .438 5. .804 48. .097 1. ,00 48. .55 ATOM 2869 HI H20 563 7. .987 5. .826 48. .951 1. .00 0, .00 ATOM 2870 H2 H20 563 9, .187 6. .397 48. .249 1. .00 0. .00 ATOM 2871 OH2 H20 569 18, .518 8. .907 70, .572 1. .00 33, .67 ATOM 2872 HI H20 569 19, .475 8. .882 70, .611 1. .00 0, .00 ATOM 2873 H2 H20 569 18, .362 9. .599 69, .917 1. .00 0, .00 ATOM 2874 OH2 H20 570 -3 .123 15, .254 51, .267 1. .00 44, .68 ATOM 2875 HI H20 570 -2 .857 15, .725 50 .474 1, .00 0 .00 ATOM 2876 H2 H20 570 -2, .642 14. .427 51, .213 1. .00 0, .00 ATOM 2877 OH2 H20 572 -4 .725 17. .961 46, .351 1. .00 28, .78 146 WO>97/0830C1 I PCCTT/US96/13918 ATOM 2878 HI H20 572 -5.641 18 .255 46.416 1 .00 0 .00 ATOM 2879 H2 H20 572 -4.454 18 .331 45.500 1 .00 0 .00 ATOM 2880 OH2 H20 573 -17.831 -26 .994 47.079 1 .00 47 .81 ATOM 2881 HI H20 573 -18.168 -27 .861 47.345 1 .00 0 .00 ATOM 2882 H2 H20 573 -16.954 -27 .236 46.737 1 .00 0 .00 ATOM 2883 OH2 H20 574 -11.347 -10 .955 43.461 1 .00 27 .59 ATOM 2884 HI H20 574 -12.285 -11 .031 43.636 1 .00 0 .00 ATOM 2885 H2 H20 574 -11.302 -10 .452 42.652 1 .00 0 .00 ATOM 2886 OH2 H20 575 -7.797 6 .237 24.140 1 .00 43 .37 ATOM 2887 HI H20 575 -8.151 5 .827 23.336 1 .00 0 .00 ATOM 2888 H2 H20 575 -7.042 6 .728 23.794 1, .00 0 .00 ATOM 2889 OH2 H20 ■ 576 -2.183 3 .330 69.045 1, .00 33 .93 ATOM 2890 HI H20 576 -3.094 3 .131 68.802 1 .00 0 .00 ATOM 2891 H2 H20 576 -1.964 4 .076 68.483 1, .00 0 .00 ATOM 2892 OH2 H20 577 -0.855 -5, .759 42.695 1. .00 25, .76 ATOM 2893 HI H20 577 -1.157 -5 .188 41.984 1. .00 0, .00 ATOM 2894 H2 H20 577 -0.947 -6, .645 42.342 1. .00 0, .00 ATOM 2895 OH2 H20 579 3.333 6, .242 53.401 1. .00 50. .25 ATOM 2896 HI H20 579 3.451 5. .332 53.701 1. .00 0. .00 ATOM 2897 H2 H20 579 4.217 6. .487 53.105 1. .00 0, .00 ATOM 2898 OH2 H20 580 -2.444 2. .334 61.039 1. .00 31. .46 ATOM 2899 HI H20 580 -3.317 2. .148 61.413 1. .00 0. .00 ATOM 2900 H2 H20 580 -2.660 3. .049 60.423 1. .00 0. .00 ATOM 2901 OH2 H20 581 -15.655 7. .091 35.775 1. .00 37. .09 ATOM 2902 HI H20 581 -14.694 7 .066 35.713 1. ,00 0. .00 ATOM 2903 H2 H20 581 -15.902 6. .185 35.548 1. .00 0. .00 ATOM 2904 OH2 H20 582 2.063 24. .320 47.146 1. ,00 51. .91 ATOM 2905 HI H20 582 1.349 24. .295 46.468 1. ,00 0. .00 ATOM 2906 H2 H20 582 2.119 25. ,295 47.172 1. ,00 0. .00 ATOM 2907 OH2 H20 583 -6.779 -2. ,271 28.633 1. 00 40. .33 ATOM 2908 HI H20 583 -6.999 -1. 707 27.886 1. 00 0. .00 ATOM 2909 H2 H20 583 -7.664 -2. 443 28.970 1. 00 0. ,00 ATOM 2910 OH2 H20 584 11.799 8. 386 47.735 1. 00 53. .26 ATOM 2911 HI H20 584 12.475 8. 197 47.055 1. 00 0. .00 ATOM 2912 H2 H20 584 11.657 9. 325 47.602 1. 00 0. ,00 ATOM 2913 OH2 H20 585 -13.524 6. 050 40.840 1. 00 43. .92 ATOM 2914 HI H20 585 -12.588 5. 799 40.707 1. 00 0. ,00 ATOM 2915 H2 H20 585 -13.692 5. 671 41.705 1. 00 0. ,00 ATOM 2916 OH2 H20 586 -20.205 -18. 799 46.340 1. 00 35. ,53 - 147 - SUBSTITUTE SHEET (RULE 25) ATOM 2917 HI H20 586 -20.221 -18.803 47.304 1.00 0.00 ATOM 2918 H2 H20 586 -19.889 -17.914 46 .132 1.00 0.00 ATOM 2919 OH2 H20 587 9.685 9.586 28 .857 1.00 23.20 ATOM 2920 HI H20 587 8.918 9.519 28 .276 1.00 0.00 ATOM 2921 H2 H20 587 10.422 9.526 28, .241 1.00 0.00 ATOM 2922 OH2 H20 588 -18.278 15.597 52, .143 1.00 37.65 ATOM 2923 HI H20 588 -17.821 15.619 52, .985 1.00 0.00 ATOM 2924 H2 H20 588 -18.442 14.652 52. .046 1.00 0.00 ATOM 2925 OH2 H20 589 12.004 9.442 43, .787 1.00 36.10 ATOM 2926 HI H20 589 11.783 9.993 43. .008 1.00 0.00 ATOM 2927 H2 H20 589 12.929 9.683 43. .951 1.00 0.00 ATOM 2928 OH2 H20 592 -25.871 -5.699 57. .447 1.00 24.88 ATOM 2929 HI H20 592 -26.445 -5.733 58. .226 1.00 0.00 ATOM 2930 H2 H20 592 -25.440 -4.847 57. .572 1.00 0.00 ATOM 2931 OH2 H20 593 -13.120 10.109 38. .496 1.00 33.36 ATOM 2932 HI H20 593 -12.211 9.803 38. .544 1.00 0.00 ATOM 2933 H2 H20 593 -13.553 9.578 39. .173 1.00 0.00 ATOM 2934 OH2 H20 594 -2.642 17.050 48. .010 1.00 31.60 ATOM 2935 HI H20 594 -2.754 17.725 48. .682 1.00 0.00 ATOM 2936 H2 H20 594 -3.443 17.194 47. .462 1.00 0.00 ATOM 2937 OH2 H20 595 13.645 7.886 45. .763 1.00 41.58 ATOM 2938 HI H20 595 14.505 7.762 46. .191 1.00 0.00 ATOM 2939 H2 H20 595 13.921 7.739 44. .837 1.00 0.00 ATOM 2940 OH2 H20 596 11.562 6.029 45. .973 1.00 50.87 ATOM 2941 HI H20 596 11.768 5.826 46, .893 1.00 0.00 ATOM 2942 H2 H20 596 12.242 6.714 45, .805 1.00 0.00 ATOM 2943 OH2 H20 597 8.860 -0.601 32, .747 1.00 41.20 ATOM 2944 HI H20 597 8.422 -0.896 31. .940 1.00 0.00 ATOM 2945 H2 H20 597 8.194 -0.773 33, .420 1.00 0.00 ATOM 2946 OH2 H20 598 14.739 10.248 44 .027 1.00 61.01 ATOM 2947 HI H20 598 14.760 11.112 43, .590 1.00 0.00 ATOM 2948 H2 H20 598 15.049 10.456 44, .920 1.00 0.00 ATOM 2949 OH2 H20 599 -14.758 -0.522 39 .901 1.00 47.63 ATOM 2950 HI H20 599 -15.399 -0.544 39 .178 1.00 0.00 ATOM 2951 H2 H20 599 -14.534 -1.454 39 .996 1.00 0.00 ATOM 2952 OH2 H20 601 11.055 1.025 33 .198 1.00 33.67 ATOM 2953 HI H20 601 10.283 0.434 33 .099 1.00 0.00 ATOM 2954 H2 H20 601 11.463 0.920 32 .328 1.00 0.00 ATOM 2955 OH2 H20 602 -7.939 5.076 74 .158 1.00 35.51 148 - ATOM 2956 HI H20 602 -7.267 5.133 74.849 1.00 0.00 ATOM 2957 H2 H20 602 -7 .784 4 .156 73 .888 1 .00 0 .00 ATOM 2958 OH2 H20 603 •16 .636 -12 .874 62 .037 1 .00 36 .29 ATOM 2959 HI H20 603 ■ 16 .225 -13 .402 61 .337 1 .00 0 .00 ATOM 2960 H2 H20 603 ■ 15 .849 -12 .404 62 .373 1 .00 0 .00 ATOM 2961 OH2 H20 604 •18 .358 -20 .653 39 .617 1 .00 36 .43 ATOM 2962 HI H20 604 ■17 .998 -20 .559 40 .507 1 .00 0 .00 ATOM 2963 H2 H20 604 ■17 .638 -20 .311 39 .059 1 .00 0, .00 ATOM 2964 OH2 H20 605 -5 .855 -5 .527 60, .942 1 .00 35, .83 ATOM 2965 HI H20 605 -6 .476 -5 .558 60, .199 1 .00 0, .00 ATOM 2966 H2 H20 605 -5 .861 -4 .592 61, .176 1, .00 0, .00 ATOM 2967 OH2 H20 606 -7, .119 -2 .334 35, .830 1, .00 31, .03 ATOM 2968 HI H20 606 -7, .787 -1 .638 35, .776 1, .00 0, .00 ATOM 2969 H2 H20 606 -7. .562 -3. .033 35, .342 1, .00 0. .00 ATOM 2970 OH2 H20 608 -4, .292 10. .348 58, .969 1, .00 59. .16 ATOM 2971 HI H20 608 -3, .677 9, .723 59, .379 1, .00 0. .00 ATOM 2972 H2 H20 608 -3. .683 10, .944 58. .518 1. .00 0. .00 ATOM 2973 OH2 H20 609 -4. .131 23. .593 29. .611 1. .00 48. .52 ATOM 2974 HI H20 609 -4. .310 24, .395 30. .105 1. .00 0. .00 ATOM 2975 H2 H20 609 -4. .950 23, .104 29. .684 1. .00 0. .00 ATOM 2976 OH2 H20 610 13. .858 -29. .598 37. .538 1. .00 34. .23 ATOM 2977 HI H20 610 13. .564 -29, .123 38. .335 1. .00 0. .00 ATOM 2978 H2 H20 610 14. .093 -30. .430 37. .979 1. .00 0. .00 ATOM 2979 OH2 H20 611 20. .921 -9, .179 55. .419 1. .00 26. .60 ATOM 2980 HI H20 611 21, .180 -9. .388 56. .337 1. .00 0. .00 ATOM 2981 H2 H20 611 21. .260 -9, .951 54. .942 1_ _ .CO 0. .00 ATOM 2982 OH2 H20 612 26. .331 -2. .023 72. .803 1. .00 53. .47 ATOM 2983 HI H20 612 26. .140 -1. .532 73. .608 1. .00 0. .00 ATOM 2984 H2 H20 612 27. .255 -1. .793 72. .631 1. .00 0. .00 ATOM 2985 OH2 H20 613 13. .525 13. .983 37. .069 1. .00 50. .82 ATOM 2986 HI H20 613 14. .442 14. .000 36. .781 1. .00 0. .00 ATOM 2987 H2 H20 613 13. .355 13. .043 37. .165 1. .00 0. .00 ATOM 2988 OH2 H20 614 21. .926 16. .371 65. .955 1. .00 46. .58 ATOM 2989 HI H20 614 22. .637 17. .013 65. .941 1. .00 0. .00 ATOM 2990 H2 H20 614 22. .048 15. .876 65. .146 1. ,00 0. .00 ATOM 2991 OH2 H20 615 1. .690 -5. .302 31. .945 1. .00 33. .74 ATOM 2992 HI H20 615 1. .397 -6. .113 31. .506 1. .00 0. .00 ATOM 2993 H2 H20 615 2. .121 -5. .661 32. .733 1. .00 0. .00 ATOM 2994 OH2 H20 616 20. .949 -21. .416 38. .360 1. .00 46. .62 149 - ATOM 2995 HI H20 616 -20.201 -21.991 38.548 1.00 0.00 ATOM 2996 H2 H20 616 -20.536 -20.560 38.533 1.00 0.00 ATOM 2997 OH2 H20 617 -12.061 10.750 73.270 1.00 33.05 ATOM 2998 HI H20 617 -12.819 11.023 72.742 1.00 0.00 ATOM 2999 H2 H20 617 -11.922 9.855 72.958 1.00 0.00 ATOM 3000 OH2 H20 618 -15.349 12.400 63.729 1.00 37.51 ATOM 3001 HI H20 618 -15.377 11.908 62.908 1.00 0.00 ATOM 3002 H2 H20 618 -16.272 12.641 63.835 1.00 0.00 ATOM 3003 OH2 H20 619 0.949 7.386 53.643 1.00 49.12 ATOM 3004 HI H20 619 1.002 7.867 54.473 1.00 0.00 ATOM 3005 H2 H20 619 1.831 6.951 53.624 1.00 0.00 ATOM 3006 OH2 H20 620 -4.534 -8.391 59.287 1.00 32.23 ATOM 3007 HI H20 620 -4.887 -9.282 59.417 1.00 0.00 ATOM 3008 H2 H20 620 -3.858 -8.571 58.625 1.00 0.00 ATOM 3009 OH2 H20 621 -25.465 -6.264 54.211 1.00 48.91 ATOM 3010 HI H20 621 -24.522 -6.048 54.259 1.00 0.00 ATOM 3011 H2 H20 621 -25.496 -6.709 53.362 1.00 0.00 ATOM 3012 OH2 H20 622 -28.810 -0.917 66.953 1.00 54.26 ATOM 3013 HI H20 622 -28.968 -1.765 66.514 1.00 0.00 ATOM 3014 H2 H20 622 -28.017 -0.623 66.496 1.00 0.00 ATOM 3015 OH2 H20 623 -1.838 20.090 25.125 1.00 53.05 ATOM 3016 HI H20 623 -1.624 20.918 24.699 1.00 0.00 ATOM 3017 H2 H20 623 -2.056 19.496 24.392 1.00 0.00 ATOM 3018 OH2 H20 624 4.169 12.348 27.338 1.00 59.51 ATOM 3019 HI H20 624 3.885 11.758 26.634 1.00 0.00 ATOM 3020 H2 H20 624 3.382 12.887 27.475 1.00 0.00 ATOM 3021 OH2 H20 625 -20.172 -12.484 57.970 1.00 48.36 ATOM 3022 HI H20 625 -20.919 -12.902 58.402 1.00 0.00 ATOM 3023 H2 H20 625 -19.544 -12.424 58.696 1.00 0.00 ATOM 3024 OH2 H20 626 -2.341 -0.010 29.093 1.00 41.65 ATOM 3025 HI H20 626 -2.634 -0.652 29.755 1.00 0.00 ATOM 3026 H2 H20 626 -1.592 -0.477 28.705 1.00 0.00 ATOM 3027 OH2 H20 627 -5.808 -1.656 39.529 1.00 30.08 ATOM 3028 HI H20 627 -6.395 -1.472 38.788 1.00 0.00 ATOM 3029 H2 H20 627 -5.340 -0.821 39.617 1.00 0.00 END *Note : See copyright notice on page 1. 150 Appendix ii : Coordinates for the 3D structure of ZAP-NC : z2 * REMARK FILENAME="tml-zeta2-watl-slow.pdb" REMARK T0PH19.pep -MACRO for protein sequence created by user: marcos ATOM 1 CB ASP 3 -1.930 -4.782 36 .991 1 .00 37 .05 ATOM 2 CG ASP 3 -2.570 -3.408 37 .176 1 .00 38 .16 ATOM 3 ODI ASP 3 -2.370 -2.527 36 .311 1 .00 37 .36 ATOM 4 OD2 ASP 3 -3.265 -3.205 38 .197 1 .00 37 .01 ATOM 5 C ASP 3 -2.096 -4.960 34 .485 1 .00 32 .75 ATOM 6 O ASP 3 -0.916 -4.974 34 .145 1 .00 31 .91 ATOM 7 HT1 ASP 3 -1.022 -6.965 35 .742 1 .00 0 .00 ATOM 8 HT2 ASP 3 -2.470 -7.515 35 .059 1 .00 0 .00 ATOM 9 N ASP -2.058 -6.982 35 .850 1 .00 39 .84 ATOM 10 HT3 ASP 3 -2.314 -7.428 36 .750 1 .00 0 .00 ATOM 11 CA ASP 3 -2.531 -5.568 35 .816 1 .00 35 .10 ATOM 12 N PRO 4 -3.057 -4.449 33 .704 1 .00 29, .48 ATOM 13 CD PRO 4 -4.493 -4.558 34 .013 1. .00 31, .76 ATOM 14 CA PRO 4 -2.860 -3.823 32 .394 1 .00 27, .70 ATOM 15 CB PRO 4 -4.273 -3.399 32, .011 1, .00 30, .04 ATOM 16 CG PRO 4 -5.115 -4.444 32. .653 1. .00 32. .47 ATOM 17 C PRO 4 -1.929 -2.616 32. .393 1, .00 26. .07 ATOM 18 O PRO 4 -1.563 -2.119 31. .324 1. .00 27. .89 ATOM 19 N ALA 5 -1.585 -2.121 33. .578 1 . ,00 20. .52 ATOM 20 H ALA 5 -1.962 -2.491 34. ,379 1. ,00 0. ,00 ATOM 21 CA ALA 5 -0.713 -0.963 33. ,682 1 _ ,00 15. ,66 ATOM 22 CB ALA 5 -1.363 0.104 34. .546 1. ,00 12. .37 ATOM 23 C ALA 5 0.662 -1.303 34. ,222 1. ,00 15. .18 ATOM 24 O ALA 5 1.560 -0.474 34. 167 1. 00 15. ,42 ATOM 25 N ALA 6 0.849 -2.545 34. 663 1. 00 17. 31 ATOM 26 H ALA 6 0.133 -3.204 34. 566 1. 00 0. 00 ATOM 27 CA ALA 6 2.118 -2.982 35. 250 1. 00 15. 36 ATOM 28 CB ALA 6 2.037 -4.448 35. 644 1. 00 16. 18 ATOM 29 C ALA 6 3.373 -2.730 34. 420 1. 00 14. 64 ATOM 30 O ALA 6 4.455 -2.560 34. 970 1. 00 15. 69 ATOM 31 N HIS 7 3.238 -2.712 33. 100 1. 00 13. 68 ATOM 32 H HIS 7 2.333 -2.845 32. 758 1. 00 0. 00 ATOM 33 CA HIS 7 4.393 -2.487 32. 234 1. 00 11. 91 - 151 - STITUTE SHEET RULE 25) ATOM 34 CB HIS 7 4..199 -3..186 30,.884 1..00 11..56 ATOM 35 CG HIS 7 2. .990 -2. .727 30, .134 1. .00 6. .98 ATOM 36 CD2 HIS 7 2. .861 -1. .908 29. .064 1. ,00 8. ,55 ATOM 37 NDI HIS 7 1. .712 -3. .118 30. .470 1. ,00 6. .26 ATOM 38 HD1 HIS 7 1. .443 -3. .762 31. .161 1. ,00 0. .00 ATOM 39 CEI HIS 7 0. .848 -2. .558 29. .642 1. ,00 9. .39 ATOM 40 NE2 HIS 7 1. .524 -1. .820 28. .778 1. ,00 9. ,77 ATOM 41 HE2 HIS 7 1. .115 -1. .305 28. .037 1. ,00 0. .00 ATOM 42 C HIS 7 4. .726 -1. .012 32. .019 1. ,00 11. .78 ATOM 43 O HIS 7 5. .780 -0. .688 31. .479 1. ,00 15. .61 ATOM 44 N LEU 8 3. .821 -0. .121 32. .421 1. ,00 11. .63 ATOM 45 H LEU 8 3. .016 -0. .410 32. .904 1. .00 0. .00 ATOM 46 CA LEU 8 4. .035 1. .317 32. .271 1. ,00 11. .65 ATOM 47 CB LEU 8 2. .733 2. .076 32. .536 1. ,00 12. .00 ATOM 48 CG LEU 8 1. .807 2. .318 31. .340 1. ,00 14. .44 ATOM 49 CDl LEU 8 2. .031 1. .303 30. .248 1. ,00 14. .24 ATOM 50 CD2 LEU 8 0. .373 2. .309 31. .804 1. 00 13. .16 ATOM 51 C LEU 8 5. .129 1. ,799 33. .213 1. 00 10. .74 ATOM 52 O LEU 8 5. .059 1. .576 34. .419 1. ,00 13. .97 ATOM 53 N PRO 9 6. .142 2. .500 32. .676 1. ,00 11. .59 ATOM 54 CD PRO 9 6. .257 2. .872 31. .256 1. ,00 10. .31 ATOM 55 CA PRO 9 7. .279 3. .032 33. .439 1. .00 9. .53 ATOM 56 CB PRO 9 8. .087 3. .778 32, .373 1. .00 10. .55 ATOM 57 CG PRO 9 7. .724 3. .094 31, .115 1. .00 10. .88 ATOM 58 C PRO 9 6. .867 3. .997 34, .548 1. .00 8, .58 ATOM 59 O PRO 9 7, .567 4, .134 35, .550 1. .00 10, .26 ATOM 60 N PHE 10 5, .752 4, .688 34 .340 1. .00 7 .17 ATOM 61 H PHE 10 5, .256 4, .547 33 .516 1. .00 0 .00 ATOM 62 CA PHE 10 5 .247 5, .667 35 .295 1, .00 8 .06 ATOM 63 CB PHE 10 4 .772 6 .929 34 .553 1, .00 4 .56 ATOM 64 CG PHE 10 3, .822 6, .646 33 .425 1. .00 6 .98 ATOM 65 CDl PHE 10 2, .445 6, .666 33 .629 1, .00 7 .37 ATOM 66 CD2 PHE 10 4, .308 6 .349 32 .152 1 .00 6 .47 ATOM 67 CEI PHE 10 1 .563 6 .390 32 .578 1 .00 8 .56 ATOM 68 CE2 PHE 10 3 .439 6 .074 31 .103 1 .00 8 .81 ATOM 69 CZ PHE 10 2 .060 6 .095 31 .315 1 .00 8 .30 ATOM 70 C PHE 10 4 .141 5 .125 36 .203 1 .00 9 .03 ATOM 71 O PHE 10 3 .387 5 .898 36 .795 1 .00 9 .71 ATOM 72 N PHE 11 4 .020 3 .802 36 .280 1 .00 7 .91 152 ATOM 73 H PHE 11 4.649 3.204 35.823 1.00 0.00 ATOM 74 CA PHE 11 3 .026 3 .166 37 .137 1 .00 7 .22 ATOM 75 CB PHE 11 2 .404 1 .964 36 .427 1, .00 7 .31 ATOM 76 CG PHE 11 1 .383 1 .237 37 .251 1 .00 5 .77 ATOM 77 CDl PHE 11 0 .206 1 .864 37 .635 1 .00 2 .00 ATOM 78 CD2 PHE 11 1 .603 -0 .078 37 .642 1 .00 2 .95 ATOM 79 CEI PHE 11 ■ 0 .729 1 .192 38 .389 1 .00 3 .12 ATOM 80 CE2 PHE 11 0 .668 -0 .761 38 .401 1 .00 2 .87 ATOM 81 CZ PHE 11 ■ 0 .497 -0 .130 38 .775 1 .00 2 .00 ATOM 82 C PHE 11 3 .725 2 .725 38 .434 1, .00 7 .69 ATOM 83 O PHE 11 4 .710 1 .983 38 .400 1, .00 5 .93 ATOM 84 N TYR 12 3 .231 3. .202 39, .573 1, .00 6 .36 ATOM 85 H TYR 12 2 .469 3 .818 39 .520 1, .00 0 .00 ATOM 86 CA TYR 12 3 .836 2 .870 40, .860 1, .00 5 .86 ATOM 87 CB TYR 12 3, .996 4 .130 41, .706 1. .00 7 .27 ATOM 88 CG TYR 12 5, .066 5, .063 41. .193 1. .00 8. .07 ATOM 89 CDl TYR 12 4, .862 5, .836 40. .051 1. .00 7, .30 ATOM 90 CEI TYR 12 5, .858 6. .672 39. .569 1. .00 7, .12 ATOM 91 CD2 TYR 12 6. .294 5. .156 41. .840 1. .00 7. .58 ATOM 92 CE2 TYR 12 7, .289 5. .987 41. .367 1. .00 7, .70 ATOM 93 CZ TYR 12 7, .063 6. .740 40. .234 1. .00 8. .65 ATOM 94 OH TYR 12 8. .068 7. .546 39. .779 1. .00 12. .68 ATOM 95 HH TYR 12 8. .910 7. .326 40. .171 1. ,00 0. .00 ATOM 96 C TYR 12 3. .114 1. .805 41. .662 1. ,00 5. .87 ATOM 97 O TYR 12 3. .554 1. .428 42. .749 1. ,00 5. .79 ATOM 98 N GLY 13 2. .000 1. ,325 41. ,139 1. 00 5. .99 ATOM 99 H GLY 13 1. .656 1. .690 40. .302 1. ,00 0. .00 ATOM 100 CA GLY 13 1. .262 0. .299 41. .842 1. ,00 11. .58 ATOM 101 C GLY 13 0. .420 0. .849 42. .974 1. 00 13. .90 ATOM 102 O GLY 13 0. .098 1. .960 42. .888 1. ,00 13. .74 ATOM 103 N SER 14 0. .315 0. ,087 44. ,056 1. 00 14. .19 ATOM 104 H SER 14 0. .788 -0. ,773 44. ,102 1. 00 0. .00 ATOM 105 CA SER 14 0. .496 0. ,492 45. ,190 1. 00 15. .17 ATOM 106 CB SER 14 1. .162 -0. ,737 45. ,810 1. 00 14. .68 ATOM 107 OG SER 14 2. .009 -0. ,370 46. ,884 1. 00 23. .05 ATOM 108 HG SER 14 1. .439 -0. 023 47. ,586 1. 00 0. .00 ATOM 109 C SER 14 0. ,210 1. 316 46. 265 1. 00 16. ,00 ATOM 110 O SER 14 0. ,467 0. 820 47. 363 1. 00 16. .80 ATOM 111 N ILE 15 0. ,522 2. 570 45. 950 1. 00 15. .37 - 153 - ATOM 112 H ILE 15 0.283 2.901 45.058 1.00 0.00 ATOM 113 CA ILE 15 1 .159 3 .467 46 .914 1 .00 12, .48 ATOM 114 CB ILE 15 2 .370 4 .223 46 .304 1. .00 10, .89 ATOM 115 CG2 ILE 15 3 .496 3 .237 45 .986 1. .00 8 .22 ATOM 116 CGI ILE 15 1. .945 5 .032 45, .074 1, .00 7, .10 ATOM 117 CD ILE 15 3 .062 5. .887 44 .496 1, .00 2, .93 ATOM 118 C ILE 15 0 .120 4 .473 47 .426 1. .00 12, .27 ATOM 119 0 ILE 15 0, .990 4, .555 46, .889 1. .00 11. .25 ATOM 120 N SER 16 0, .469 5. .233 48, .459 1. .00 8. .90 ATOM 121 H SER 16 1, .358 5, .201 48, .836 1. .00 0. .00 ATOM 122 CA SER 16 0, .459 6, .215 49, .010 1. .00 10. .27 ATOM 123 CB SER 16 0. .231 6, .398 50. .512 1. .00 7. .24 ATOM 124 OG SER 16 1. .051 6, .950 50. .758 1. .00 11. .57 ATOM 125 HG SER 16 1, .119 7, .092 51. .719 1. .00 0. .00 ATOM 126 C SER 16 0. .267 7. .549 48. .316 1. ,00 8. ,08 ATOM 127 O SER 16 0. .727 7, .753 47. .608 1. ,00 5. .74 ATOM 128 N ARG 17 1. .209 8, .461 48. .549 1. ,00 8. .03 ATOM 129 H ARG 17 1. .975 8, .225 49. .117 1. .00 0. .00 ATOM 130 CA ARG 17 1. .137 9. .792 47. .969 1. .00 7. .35 ATOM 131 CB ARG 17 2. .328 10. .640 48. .407 1. .00 6. ,44 ATOM 132 CG ARG 17 2. .230 12, .078 47. .919 1. .00 5. .73 ATOM 133 CD ARG 17 3. .359 12. .936 48. .428 1. ,00 7. .10 ATOM 134 NE ARG 17 4. .651 12. .497 47. ,919 1. .00 10. .08 ATOM 135 HE ARG 17 4. .764 11. .542 47. .799 1. .00 0. .00 ATOM 136 CZ ARG 17 5. .667 13. .308 47. .651 1. ,00 12. ,64 ATOM 137 NHI ARG 17 5. .547 14, .615 47. .839 1. ,00 14. ,72 ATOM 138 HH11 ARG 17 4. .683 14. .986 48. .174 1. .00 0, .00 ATOM 139 HH12 ARG 17 6. .311 15, .229 47. .642 1. .00 0, .00 ATOM 140 NH2 ARG 17 6. .807 12, .807 47. .199 1. .00 14. .47 ATOM 141 HH21 ARG 17 6, .903 11, .820 47, .061 1. .00 0, .00 ATOM 142 HH22 ARG 17 7, .576 13, .416 47. .005 1. .00 0, .00 ATOM 143 C ARG 17 0. .142 10. .462 48. .432 1. .00 7. .25 ATOM 144 O ARG 17 0. .814 11, .133 47, .657 1. .00 11, .16 ATOM 145 N ALA 18 0, .470 10 .286 49, .704 1, .00 8, .87 ATOM 146 H ALA 18 0 .131 9 .780 50 .291 1, .00 0 .00 ATOM 147 CA ALA 18 1, .674 10 .877 50, .267 1. .00 7 .33 ATOM 148 CB ALA 18 1 .787 10 .544 51. .747 1, .00 12 .14 ATOM 149 C ALA 18 2 .904 10 .405 49 .526 1, .00 7 .31 ATOM 150 O ALA 18 3 .764 11 .209 49 .168 1, .00 8 .68 154 ATOM 151 N GLU 19 2.987 9.100 49.292 1.00 8.47 ATOM 152 H GLU 19 2 .260 8 .510 49 .603 1 .00 0 .00 ATOM 153 CA GLU 19 4 .127 8 .530 48 .580 1 .00 7 .37 ATOM 154 CB GLU 19 4 .061 7 .005 48 .589 1 .00 9 .12 ATOM 155 CG GLU 19 4 .085 6 .415 49 .986 1 .00 18 .39 ATOM 156 CD GLU 19 3 .901 4 .909 50 .005 1 .00 18 .70 ATOM 157 OEI GLU 19 4 .912 4 .190 50 .112 1 .00 27 .52 ATOM 158 OE2 GLU 19 2 .748 4 .439 49 .931 1 .00 16 .92 ATOM 159 C GLU 19 4 .166 9 .050 47 .150 1 .00 8 .14 ATOM 160 O GLU 19 5 .239 9 .289 46 .596 1 .00 8 .18 ATOM 161 N ALA 20 2 .987 9 .229 46 .560 1 .00 8 .26 ATOM 162 H ALA 20 2 .170 9 .017 47 .052 1, .00 0, .00 ATOM 163 CA ALA 20 2 .882 9 .738 45 .197 1, .00 9, .21 ATOM 164 CB ALA 20 1, .432 9 .702 44, .731 1, .00 7, .13 ATOM 165 C ALA 20 3, .421 11. .165 45, .122 1, .00 7, .93 ATOM 166 O ALA 20 4, .178 11, .510 44, .216 1. .00 7. .73 ATOM 167 N GLU 21 3. .042 11, .981 46. .097 1. .00 8. .72 ATOM 168 H GLU 21 2. .458 11, .637 46. .807 1. .00 0. .00 ATOM 169 CA GLU 21 3. .474 13, .371 46. .142 1. .00 8. .14 ATOM 170 CB GLU 21 2. .621 14. .156 47. .132 1. .00 3. .54 ATOM 171 CG GLU 21 1. .166 14. .213 46. .698 1. .00 4. .77 ATOM 172 CD GLU 21 0. .276 15. .052 47. .594 1. .00 3. .41 ATOM 173 OEI GLU 21 -0. .882 15. .278 47. .213 1. .00 3. .53 ATOM 174 OE2 GLU 21 0. .716 15. .489 48. .674 1. ,00 8. .91 ATOM 175 C GLU 21 4. .960 13. .520 46. ,434 1. .00 7. ,55 ATOM 176 O GLU 21 5. .595 14. .470 45. ,982 1. ,00 10. .13 ATOM 177 N GLU 22 5. .521 12. .563 47. ,159 1. .00 6. .89 ATOM 178 H GLU 22 4. .964 11. .853 47. ,531 1. .00 0. .00 ATOM 179 CA GLU 22 6. .941 12. .584 47. ,458 1. ,00 7. ,66 ATOM 180 CB GLU 22 7. .291 11. .489 48. ,465 1. ,00 9. ,80 ATOM 181 CG GLU 22 8. .772 11. .140 48. ,465 1. ,00 20. ,65 ATOM 182 CD GLU 22 9. ,231 10. .377 49. ,691 1. ,00 26. ,23 ATOM 183 OEI GLU 22 8. ,381 9. .865 50. ,457 1. ,00 27. ,98 ATOM 184 OE2 GLU 22 10. ,461 10. .304 49. ,887 1. ,00 27. ,22 ATOM 185 C GLU 22 7. ,754 12. .407 46. ,173 1. 00 8. ,48 ATOM 186 O GLU 22 8. ,739 13. ,111 45. 949 1. 00 11. ,39 ATOM 187 N HIS 23 7. ,330 11. .473 45. 326 1. 00 10. ,23 ATOM 188 H HIS 23 6. ,513 10. .983 45. 570 1. 00 0. ,00 ATOM 189 CA HIS 23 8. 009 11. ,199 44. 060 1. 00 7. ,78 155 - ATOM 190 CB HIS 23 7.420 9.954 43.388 1.00 6.65 ATOM 191 CG HIS 23 7 .813 8 .667 44 .047 1 .00 7 .16 ATOM 192 CD2 HIS 23 9 .015 8 .056 44 .166 1 .00 5 .40 ATOM 193 NDI HIS 23 6 .902 7 .835 44 .661 1 .00 9, .76 ATOM 194 HD1 HIS 23 5 .953 8 .008 44 .836 1, .00 0, .00 ATOM 195 CEI HIS 23 7 .522 6 .767 45 .125 1, .00 5. .88 ATOM 196 NE2 HIS 23 8 .808 6 .879 44 .838 1 .00 7, .20 ATOM 197 HE2 HIS 23 9 .497 6 .257 45 .178 1, .00 0, .00 ATOM 198 C HIS 23 7, .923 12, .380 43 .102 1. .00 7, .58 ATOM 199 O HIS 23 8, .893 12, .698 42, .412 1. .00 9. .48 ATOM 200 N LEU 24 6, .758 13, .016 43, .049 1. .00 8. .34 ATOM 201 H LEU 24 6. .007 12, .724 43. .606 1. .00 0. .00 ATOM 202 CA LEU 24 6, .551 14, .164 42, .174 1. .00 6. .84 ATOM 203 CB LEU 24 5, .062 14, .527 42, .112 1. .00 5. .05 ATOM 204 CG LEU 24 4. .140 13, .522 41. .392 1. .00 9. .41 ATOM 205 CDl LEU 24 2. .672 13. .866 41. .630 1. ,00 2. ,00 ATOM 206 CD2 LEU 24 4. .441 13. .479 39. .889 1. .00 2. .21 ATOM 207 C LEU 24 7. .401 15. .340 42. .654 1. ,00 8. ,80 ATOM 208 O LEU 24 7. .973 16. .072 41. .843 1. ,00 10. ,47 ATOM 209 N LYS 25 7. .521 15. .497 43. .969 1. .00 9. .78 ATOM 210 H LYS 25 7. .026 14. .908 44. .577 1. .00 0. .00 ATOM 211 CA LYS 25 8. .343 16. .562 44. .540 1. ,00 10. .08 ATOM 212 CB LYS 25 8. .178 16. .621 46. .058 1. ,00 8. .96 ATOM 213 CG LYS 25 6. .849 17. .130 46. .550 1. ,00 3. .65 ATOM 214 CD LYS 25 6. .863 17. .140 48. .059 1. 00 10. .29 ATOM 215 CE LYS 25 5. ,533 17. .549 48. .656 1. 00 9. .07 ATOM 216 NZ LYS 25 5. .612 17. .513 50. .147 1. .00 12. .20 ATOM 217 HZ1 LYS 25 6. .355 18. .162 50. .481 1. .00 0. .00 ATOM 218 HZ2 LYS 25 5. .830 16. .546 50. .457 1. .00 0. .00 ATOM 219 HZ3 LYS 25 4. .697 17. .805 50. .540 1. .00 0, .00 ATOM 220 C LYS 25 9. .815 16. .312 44. .214 1. ,00 11. .23 ATOM 221 O LYS 25 10. .518 17. .204 43. .741 1. ,00 11. .13 ATOM 222 N LEU 26 10. .274 15. .086 44. .450 1. .00 12. .69 ATOM 223 H LEU 26 9. .655 14. .414 44, .817 1. .00 0 .00 ATOM 224 CA LEU 26 11. .664 14, .721 44, .188 1. .00 11 .54 ATOM 225 CB LEU 26 11. .967 13, .322 44, .730 1. .00 9 .05 ATOM 226 CG LEU 26 12. .030 13, .127 46, .241 1. .00 7 .75 ATOM 227 CDl LEU 26 12. .144 11, .659 46, .545 1. .00 10 .85 ATOM 228 CD2 LEU 26 13. .196 13, .880 46 .822 1. .00 8 .02 - 156 - SUBSTITUTE SHEET (RULE 25) ATO OMM 229 C LEU 26 12.016 14.770 42.709 1.00 13.09 ATO OMM 230 0 LEU 26 13.194 14.788 42.353 1 .00 13 .85 ATO OMM 231 N ALA 27 10.998 14.768 41.852 1 .00 14 .57 ATO OMM 232 H ALA 27 10.076 14.716 42.182 1 .00 0 .00 ATO OMM 233 CA ALA 27 11.207 14.809 40.409 .00 14 .74 ATO OMM 234 CB ALA 27 10.114 14.036 39.690 1 .00 11 .97 ATO DMM 235 C ALA 27 11.310 16.217 39.847 1 .00 14 .47 ATO 3MM 236 0 ALA 27 11.450 16.388 38.637 * ! .00 18 .58 ATO DMM 237 N GLY 28 11.214 17.228 40.701 .00 14 .44 ATO DMM 238 H GLY 28 11.100 17.075 41.663 1 .00 0 .00 ATO DMM 239 CA GLY 28 11.322 18.588 40.208 1 .00 16 .06 ATO DMM 240 C GLY 28 10.059 19.417 40.277 1 .00 18 .17 ATO DMM 241 0 GLY 28 10.121 20.638 40.125 1 .00 20 .12 ATO DMM 242 N SEM 29 8.911 18.764 40.445 - , .00 18 .95 ATO DMM 243 H SEM 29 8.916 17.783 40.530 1 , .00 0 .00 ATO DMM 244 CA SEM 29 7.633 19.461 40.560 .00 19, .29 ATO DMM 245 CB SEM 29 7.691 20.394 41.774 1. .00 26, .13 ATO DMM 246 CG SEM 29 6.357 20.714 42.386 1. .00 38, .67 ATO DMM 247 A SEM 29 5.628 19.139 43.253 1. .00 56. .20 ATO DMM 248 CE SEM 29 4.244 20.250 43.984 1. .00 49. .18 ATO DMM 249 C SEM 29 7.244 20.262 39.307 1. .00 17. .59 ATO DMM 250 0 SEM 29 6.551 21.277 39.404 1. .00 14. .79 ATO DMM 251 N ALA 30 7.661 19.799 38.132 1. .00 17. .50 ATO DMM 252 H ALA 30 8.158 18.959 38.095 1. ,00 0. .00 ATO )MM 253 CA ALA 30 7.361 20.506 36.883 1- ,00 17. .68 ATO )MM 254 CB ALA 30 8.328 20.078 35.787 , 00 17. .19 ATO )MM 255 C ALA 30 5.920 20.303 36.427 , ,00 18. .58 ATO >MM 256 O ALA 30 5.336 19.246 36.667 X _ ,00 20. .12 ATO )MM 257 N ASP 31 5.345 21.323 35.786 00 19. .30 ATO )MM 258 H ASP 31 5.870 22.127 35.608 1. 00 0. ,00 ATO )MM 259 CA ASP 31 3.967 21.251 35.287 1. ,00 18. .84 ATO )MM 260 CB ASP 31 3.556 22.553 34.585 X 00 22. .71 ATO >MM 261 CG ASP 31 3.270 23.682 35.550 1. 00 26. .71 ATO IMM 262 ODI ASP 31 3.279 24.850 35.109 1. 00 32. .54 ATO IMM 263 OD2 ASP 31 3.023 23.415 36.744 1. 00 30. ,87 ATO IMM 264 C ASP 31 3.822 20.110 34.298 1. 00 15. ,55 ATO iMM 265 O ASP 31 4.678 19.920 33.434 1. 00 13. ,41 ATO MM 266 N GLY 32 2.727 19.371 34.413 1. 00 13. ,36 ATO MM 267 H GLY 32 2.082 19.548 35.121 1. 00 0. 00 157 SUBSTITUTE SHEET (RULE 25) ATOM 268 CA GLY 32 2.500 18.261 33.513 1.00 10.92 ATOM 269 C GLY 32 3 .215 17 .002 33 .956 1 .00 10 .21 ATOM 270 O GLY 32 3 .189 16 .002 33 .241 1 .00 12 .71 ATOM 271 N LEU 33 3 .920 17 .063 35 .084 1. .00 10 .73 ATOM 272 H LEU 33 3 .996 17 .913 35 .563 1 .00 0 .00 ATOM 273 CA LEU 33 4 .608 15 .889 35 .621 1, .00 10, .86 ATOM 274 CB LEU 33 5. .587 16, .297 36 .730 1, .00 10, .14 ATOM 275 CG LEU 33 6 .506 15. .217 37 .309 1, .00 8, .41 ATOM 276 CDl LEU 33 7, .578 14. .842 36, .312 1. .00 8. .33 ATOM 277 CD2 LEU 33 7 .146 15, .735 38 .564 1. .00 4, .68 ATOM 278 C LEU 33 3, .486 15. .015 36, .193 1. .00 11. .04 ATOM 279 O LEU 33 2, .665 15. .495 36, .987 1. .00 10. .22 ATOM 280 N PHE 34 3, .431 13. .751 35, .786 1. .00 8, .86 ATOM 281 H PHE 34 4. .113 13. .400 35, .173 1. .00 0. .00 ATOM 282 CA PHE 34 2. .369 12. .868 36, .247 1. .00 6. .90 ATOM 283 CB PHE 34 1. .236 12. .837 35. .210 1. ,00 5. .89 ATOM 284 CG PHE 34 1. .587 12. .101 33. .941 1. ,00 7. .44 ATOM 285 CDl PHE 34 1. .247 10. .755 33. .784 1. ,00 8. .28 ATOM 286 CD2 PHE 34 2. .259 12. .746 32. .905 1. .00 3. .28 ATOM 287 CEI PHE 34 1. .575 10. .066 32. .615 1. .00 10. .52 ATOM 288 CE2 PHE 34 2. .587 12. .070 31. .739 1. .00 5. .20 ATOM 289 CZ PHE 34 2. .247 10. .727 31. .589 1. .00 7. .45 ATOM 290 C PHE 34 2. .820 11. .446 36. .510 1. ,00 6. .42 ATOM 291 O PHE 34 3. .861 11. .003 36. .026 1. ,00 7. .20 ATOM 292 N LEU 35 2. .015 10. .724 37. .273 1. ,00 5. .42 ATOM 293 H LEU 35 1. .189 11. .106 37. .637 1. ,00 0. .00 ATOM 294 CA LEU 35 2. .294 9. .328 37. .564 1. ,00 5. .16 ATOM 295 CB LEU- 35 3. .228 9. .170 38. .780 1. .00 3, .91 ATOM 296 CG LEU 35 2. .861 9. .681 40. .178 1. .00 5, .75 ATOM 297 CDl LEU 35 1. .822 8. .770 40. .833 1. .00 3, .81 ATOM 298 CD2 LEU 35 4. .125 9. .730 41. .033 1. .00 5, .45 ATOM 299 C LEU 35 0. .950 8. .638 37. .759 1. .00 5, .01 ATOM 300 O LEU 35 0. .071 9. .297 37. .976 1. .00 4, .17 ATOM 301 N LEU 36 0. .947 7. .321 37. .628 1. .00 5, .84 ATOM 302 H LEU 36 1. .787 6. .845 37, .447 1. .00 0, .00 ATOM 303 CA LEU 36 0. .266 6. .543 37, .772 1. .00 6 .22 ATOM 304 CB LEU 36 0. .513 5. .745 36. .487 1. .00 8. .32 ATOM 305 CG LEU 36 1. .945 5. .377 36 .090 1. .00 12 .01 ATOM 306 CDl LEU 36 2. .670 6, .628 35 .627 1, .00 9 .93 158 ATOM 307 CD2 LEU 36 -1.924 4.333 34.975 1.00 11.40 ATOM 308 C LEU 36 -0.093 5 .587 38 .942 1 .00 5 .04 ATOM 309 O LEU 36 1.002 5 .075 39 .178 1 .00 4 .23 ATOM 310 N ARG 37 -1.156 5 .396 39 .712 1 .00 5 .30 ATOM 311 H ARG 37 -1.991 5 .875 39 .531 1 .00 0 .00 ATOM 312 CA ARG 37 -1.122 4 .469 40 .837 1 .00 4 .66 ATOM 313 CB ARG 37 -0.845 5 .190 42 .156 1 .00 3 .66 ATOM 314 CG ARG 37 -1.713 6 .381 42 .403 1 .00 2 .00 ATOM 315 CD ARG 37 -1.287 7 .057 43 .664 1 .00 2 .41 ATOM 316 NE ARG 37 -1.942 8 .346 43 .828 1 .00 2 .04 ATOM 317 HE ARG 37 -1.677 9 .086 43 .246 1 .00 0 .00 ATOM 318 CZ ARG 37 -2.891 8 .584 44 .719 1 .00 3, .03 ATOM 319 NHI ARG 37 -3.308 7 .614 45 .526 1 .00 2, .03 ATOM 320 HH11 ARG 37 -2.923 6 .697 45 .464 1. .00 0, .00 ATOM 321 HH12 ARG 37 -4.022 7 .812 46 .194 1 .00 0 .00 ATOM 322 NH2 ARG 37 -3.400 9 .798 44 .824 1. .00 2, .00 ATOM 323 HH21 ARG 37 -3.054 10, .515 44, .228 1. .00 0. .00 ATOM 324 HH22 ARG 37 -4.109 9 .997 45 .488 1, .00 0, .00 ATOM 325 C ARG 37 -2.443 3, .732 40, .884 1. .00 3. .21 ATOM 326 O ARG 37 -3.387 4, .105 40. .195 1. .00 4. .62 ATOM 327 N GLN 38 -2.496 2. .657 41. .652 1. .00 5. .11 ATOM 328 H GLN 38 -1.732 2. .444 42. .213 1. .00 0. .00 ATOM 329 CA GLN 38 -3.708 1. .858 41. .758 1. .00 8. .69 ATOM 330 CB GLN 38 -3.356 0. .428 42. .169 1. .00 9. ,37 ATOM 331 CG GLN 38 -4.540 -0. .505 42. .289 1. .00 12. .33 ATOM 332 CD GLN 38 -4.101 -1. .914 42. .594 1. ,00 16. ,53 ATOM 333 OEI GLN 38 -3.915 -2. .283 43. ,750 1. 00 20. ,00 ATOM 334 NE2 GLN 38 -3.892 -2. ,698 41. ,555 1. 00 19. 17 ATOM 335 HE21 GLN 38 -4.078 -2. ,315 40. ,666 1. 00 0. ,00 ATOM 336 HE22 GLN 38 -3.579 -3. 605 41. ,714 1. 00 0. 00 ATOM 337 C GLN 38 -4.649 2. 483 42. 772 1. 00 8. 28 ATOM 338 O GLN 38 -4.209 2. ,975 43. ,802 1. 00 11. ,23 ATOM 339 N CYS 39 -5.938 2. 477 42. ,469 1. 00 8. 89 ATOM 340 H CYS 39 -6.237 2. 044 41. 640 1. 00 0. 00 ATOM 341 CA CYS 39 -6.933 3. 049 43. 361 1. 00 8. 08 ATOM 342 CB CYS 39 -8.266 3. 168 42. 638 1. 00 5. 67 ATOM 343 SG CYS 39 -9.520 4. 051 43. 539 1. 00 10. 90 ATOM 344 C CYS 39 -7.085 2. 150 44. 577 1. 00 9. 83 ATOM 345 O CYS 39 -7.116 0. 921 44. 451 1. 00 7. 19 - 159 - TITUTE SHEET (RULE 25) ATOM 346 N LEU 40 -7.158 2.768 45.750 1.00 7.63 ATOM 347 H LEU 40 -7 .089 3 .751 45 .775 1, .00 0. .00 ATOM 348 CA LEU 40 -7. .310 2 .036 46 .994 1, .00 9. .31 ATOM 349 C3 LEU 40 -6 .505 2 .722 48 .103 1, .00 9. .89 ATOM 350 CG LEU 40 -4 .997 2 .799 47 .891 1. .00 9. .01 ATOM 351 CDl LEU 40 -4 .374 3 .725 48 .921 1. .00 11. .37 ATOM 352 CD2 LEU 40 -4. .388 1 .407 47 .975 1. .00 9. .89 ATOM 353 C LEU 40 -8, .774 1 .974 47 .405 1. .00 9. .85 ATOM 354 O LEU 40 -9, .115 1, .337 48. .399 1. .00 11. .71 ATOM 355 N ARG 41 -9. .638 2, .622 46. .633 1. .00 9. .83 ATOM 356 H ARG 41 -9, .326 3, .073 45, .825 1. .00 0. .00 ATOM 357 CA ARG 41 11. .060 2. .681 46. .952 1. .00 9. .49 ATOM 358 CB ARG 41 11. .519 4, .138 47. .000 1. .00 8. .44 ATOM 359 CG ARG 41 10. .675 5, .023 47, .900 1. .00 5. .66 ATOM 360 CD ARG 41 11. .147 6. .449 47. ,830 1. .00 8. ,87 ATOM 361 NE ARG 41 11. .038 6. .990 46. .481 1. .00 11. .49 ATOM 362 HE ARG 41 10. .148 7. .039 46. .102 1. .00 0. ,00 ATOM 363 CZ ARG 41 12. .057 7. .468 45. .775 1. .00 13. .34 ATOM 364 NHI ARG 41 13. .280 7. .483 46. .280 1. .00 15. .40 ATOM 365 HH11 ARG 41 13. .439 7. .153 47. .206 1. .00 0. .00 ATOM 366 HH12 ARG 41 14. .048 7. .854 45. .750 1. .00 0. .00 ATOM 367 NH2 ARG 41 11. .851 7. .937 44. .555 1. .00 14. .77 ATOM 368 HH21 ARG 41 10. .937 7. .928 44, .156 1. .00 0. .00 ATOM 369 HH22 ARG 41 12. .626 8, .289 44. .031 1. .00 0. .00 ATOM 370 C ARG 41 11. .990 1. .898 46. .042 1. .00 9. .85 ATOM 371 O ARG 41 13. .110 1. .581 46. .434 1. .00 8, .69 ATOM 372 N SER 42 11. .550 1, .604 44. .827 1. .00 10. .68 ATOM 373 H SER 42 10. .650 1. .838 44. .525 1. .00 0. .00 ATOM 374 CA SER 42 12. .389 0. .859 43, .902 1. .00 12. .49 ATOM 375 CB SER 42 12. .866 1, .763 42, .764 1. .00 12. .46 ATOM 376 OG SER 42 11. .774 2, .306 42, .050 1, .00 17, .74 ATOM 377 HG SER 42 12. .149 3, .093 41, .607 1. .00 0, .00 ATOM 378 C SER 42 11. .651 -0, .349 43, .352 1, .00 14 .30 ATOM 379 O SER 42 10, .457 -0 .528 43 .600 1 .00 14 .79 ATOM 380 N LEU 43 12. .381 -1, .209 42 .654 1 .00 14 .42 ATOM 381 H LEU 43 13, .322 -1, .022 42 .491 1 .00 0 .00 ATOM 382 CA LEU 43 • 11. .795 -2 .400 42 .062 1 .00 14 .72 ATOM 383 CB LEU 43 12. .800 -3 .556 42 .094 1 .00 15 .93 ATOM 384 CG LEU 43 13, .008 -4 .241 43 .445 1 .00 17 .87 160 ATOM 385 CDl . LEU 43 -14.314 -5.017 43.441 1.00 18.61 ATOM 386 CD2 LEU 43 -11.835 -5.158 43.740 1.00 19.73 ATOM 387 C LEU 43 -11.390 -2.091 40.623 1.00 14.52 ATOM 388 O LEU 43 -12.165 -1.496 39.867 1.00 14.42 ATOM 389 N GLY 44 -10.148 -2.418 40.283 1.00 15.19 ATOM 390 H GLY 44 -9.563 -2.772 40.986 1.00 0.00 ATOM 391 CA GLY 44 -9.646 -2.186 38.938 1.00 13.99 ATOM 392 C GLY 44 -9.496 -0.733 38.533 1.00 11.65 ATOM 393 O GLY 44 -9.353 -0.434 37.353 1.00 15.02 ATOM 394 N GLY 45 -9.489 0.170 39.503 1.00 9.86 ATOM 395 H GLY 45 -9.551 -0.116 40.434 1.00 0.00 ATOM 396 CA GLY 45 -9.360 1.580 39.192 1.00 5.54 ATOM 397 C GLY 45 -7.943 2.071 39.371 1.00 5.84 ATOM 398 O GLY 45 -7.088 1.360 39.899 1.00 6.52 ATOM 399 N TYR 46 -7.705 3.312 38.978 1.00 5.35 ATOM 400 H TYR 46 -8.441 3.865 38.629 1.00 0.00 ATOM 401 CA TYR 46 -6.389 3.916 39.077 1.00 5.58 ATOM 402 CB TYR 46 -5.709 3.954 37.694 1.00 5.14 ATOM 403 CG TYR 46 -5.371 2.597 37.127 1.00 6.25 ATOM 404 CDl TYR 46 -4.305 1.853 37.634 1.00 7.73 ATOM 405 CEI TYR 46 -4.046 0.573 37.177 1.00 7.63 ATOM 406 CD2 TYR 46 -6.157 2.024 36.136 1.00 8.86 ATOM 407 CE2 TYR 46 -5.905 0.743 35.670 1.00 7.09 ATOM 408 CZ TYR 46 -4.858 0.024 36.197 1.00 9.65 ATOM 409 OH TYR 46 -4.640 -1.262 35.765 1.00 14.03 ATOM 410 HH TYR 46 -4.204 -1.681 36.505 1.00 0.00 ATOM 411 C TYR 46 -6.548 5.339 39.564 1.00 6.00 ATOM 412 O TYR 46 -7.667 5.816 39.748 1.00 5.33 ATOM 413 N VAL 47 -5.429 5.988 39.840 1.00 3.93 ATOM 414 H VAL 47 -4.562 5.532 39.759 1.00 0.00 ATOM 415 CA VAL 47 -5.440 7.384 40.223 1.00 6.45 ATOM 416 CB VAL 47 -5.152 7.623 41.720 1.00 5.21 ATOM 417 CGI VAL 47 -5.289 9.116 42.024 1.00 2.00 ATOM 418 CG2 VAL 47 -6.108 6.824 42.591 1.00 2.00 ATOM 419 C VAL 47 -4.333 8.033 39.398 1.00 6.52 ATOM 420 O VAL 47 -3.225 7.504 39.323 1.00 5.99 ATOM 421 N LEU 48 -4.672 9.119 38.710 1.00 8.11 ATOM 422 H LEU 48 -5.588 9.443 38.750 1.00 0.00 ATOM 423 CA LEU 48 -3.720 9.870 37.903 1.00 8.79 161 ATOM 424 CB LEU 48 4.418 10.427 36.658 1.00 12,.43 ATOM 425 CG LEU 48 ■ 3. .677 10 .764 35 .353 1 .00 14 .11 ATOM 426 CDl LEU 48 4 .438 11 .888 34 .674 1 .00 14, .34 ATOM 427 CD2 LEU 48 2 .240 11 .183 35 .576 1 .00 10 .17 ATOM 428 C LEU 48 ■ 3 .277 11 .039 38 .779 1 .00 11, .50 ATOM 429 O LEU 48 4 .102 11 .873 39 .162 1 .00 9, .63 ATOM 430 N SER 49 • 1. .998 11, .078 39 .139 1, .00 11, .61 ATOM 431 H SER 49 1. .392 10, .383 38. .818 1, .00 0. .00 ATOM 432 CA SER 49 1. .479 12, .166 39, .960 1, .00 8. .18 ATOM 433 CB SER 49 0. .683 11. .611 41. .144 1. .00 7. .55 ATOM 434 OG SER 49 1. .495 10. .791 41. .969 1. .00 3. .18 ATOM 435 HG SER 49 1. .674 10. .001 41. .438 1. .00 0. .00 ATOM 436 C SER 49 0. .595 13. .083 39. .108 1. .00 9. .13 ATOM 437 O SER 49 0. .371 12. .625 38. .498 1. ,00 10. .70 ATOM 438 N LEU 50 0. .951 14. .363 39. .031 1. .00 10. ,96 ATOM 439 H LEU 50 1. .751 14. .686 39. .502 1. .00 0. ,00 ATOM 440 CA LEU 50 0. .170 15. .315 38. .252 1. ,00 12. .63 ATOM 441 CB LEU 50 0. .735 15. .498 36. .827 1. ,00 16. .12 ATOM 442 CG LEU 50 2. .127 15. .995 36. .426 1. ,00 17. ,82 ATOM 443 CDl LEU 50 3. .182 15. .206 37. .167 1. ,00 23. .32 ATOM 444 CD2 LEU 50 2. .275 17. .479 36. .672 1. ,00 17. .92 ATOM 445 C LEU 50 0. .064 16. .657 38. .929 1. ,00 11. .83 ATOM 446 O LEU 50 0. .663 17. .056 39. .845 1. .00 8. .52 ATOM 447 N VAL 51 1. .099 17. .343 38. .467 1. ,00 10. .51 ATOM 448 H VAL 51 1. .613 16. .980 37. ,717 1. ,00 0. .00 ATOM 449 CA VAL 51 1. .471 18. .635 39. ,007 1. ,00 10. .18 ATOM 450 CB VAL 51 3. .000 18. .704 39. .283 1. ,00 9. .58 ATOM 451 CGI VAL 51 3. .369 20. .031 39. .938 1. .00 5. .85 ATOM 452 CG2 VAL 51 3. .445 17. .520 40. .138 1. .00 8. .60 ATOM 453 C VAL 51 1. .111 19. .758 38. .046 1. .00 10. .79 ATOM 454 O VAL 51 1. .283 19. .637 36. .833 1. .00 11, .95 ATOM 455 N HIS 52 0. .545 20. .823 38. .591 1. .00 10 .19 ATOM 456 H HIS 52 0. .343 20, .832 39. .556 1. .00 0 .00 ATOM 457 CA HIS 52 0, .231 22, .005 37, .814 1. .00 13 .16 ATOM 458 CB HIS 52 1. .148 21, .937 37, .167 1, .00 16 .99 ATOM 459 CG HIS 52 1, .460 23, .127 36, .308 1, .00 19 .12 ATOM 460 CD2 HIS 52 2. .483 24, .011 36, .344 1, .00 19 .25 ATOM 461 NDI HIS 52 0, .645 23, .530 35, .269 1, .00 21 .39 ATOM 462 HD1 HIS 52 0 .164 23 .066 34, .951 1, .00 0 .00 162 - ATOM 463 CEI HIS 52 -1.154 24.607 34.702 1.00 18.57 ATOM 464 NE2 HIS 52 -2 .271 24 .919 35 .335 1 .00 20 .49 ATOM 465 HE2 HIS 52 -2 .880 25 .642 35 .070 1 .00 0 .00 ATOM 466 C HIS 52 0 .285 23 .137 38 .813 1 .00 14 .35 ATOM 467 O HIS 52 -0 .304 23 .033 39 .884 1 .00 14 .87 ATOM 468 N ASP 53 1 .035 24 .186 38 .487 1 .00 18 .31 ATOM 469 H ASP 53 1 .499 24 .235 37 .643 1 .00 0 .00 ATOM 470 CA ASP 53 1 .182 25 .341 39 .370 1 .00 21 .21 ATOM 471 CB ASP 53 -0 .156 26 .062 39 .523 1 .00 25 .36 ATOM 472 CG ASP 53 -0 .260 27 .272 38 .643 1 .00 33 .50 ATOM 473 ODI ASP 53 -0 .918 27 .174 37 .586 1 .00 39 .21 ATOM 474 OD2 ASP 53 0 .314 28 .321 39 .016 1 .00 35, .58 ATOM 475 C ASP 53 1 .709 24 .977 40 .753 1, .00 21, .34 ATOM 476 O ASP 53 1 .213 25 .490 41. .759 1, .00 20, .63 ATOM 477 N VAL 54 2, .706 24 .094 40. .803 1, .00 20, .75 ATOM 478 H VAL 54 3, .064 23, .729 39, .964 1, .00 0. .00 ATOM 479 CA VAL 54 3. .298 23. .650 42. .072 1. .00 21. .10 ATOM 480 CB VAL 54 4. .081 24, .806 42. .777 1. .00 22. .31 ATOM 481 CGI VAL 54 4. .962 24. .261 43. .892 1. .00 21. .47 ATOM 482 CG2 VAL 54 4. .943 25. .546 41. .773 1. .00 25. .32 ATOM 483 C VAL 54 2. .207 23. .094 43. .004 1. .00 20. .23 ATOM 484 O VAL 54 2. .325 23. .144 44. .234 1. .00 21. .96 ATOM 485 N ARG 55 1. .180 22. .502 42. .399 1. ,00 20. .64 ATOM 486 H ARG 55 1. .149 22. .431 41. .425 1. .00 0. ,00 ATOM 487 CA ARG 55 0. ,049 21. .936 43. ,127 1. 00 20. ,79 ATOM 488 CB ARG 55 ■ 1. ,166 22. ,862 42. 982 1. 00 24. ,88 ATOM 489 CG ARG 55 ■ 2. 454 22. ,303 43. 543 1. 00 37. ,51 ATOM 490 CD ARG 55 2. .330 22. .040 45. ,036 1. .00 47. .31 ATOM 491 NE ARG 55 ■ 3. ,385 21. .152 45. ,519 1. ,00 52. .82 ATOM 492 HE ARG 55 ■4. 305 21. ,346 45. ,243 1. 00 0. ,00 ATOM 493 CZ ARG 55 3. 179 20. ,109 46. 319 1. 00 54. ,83 ATOM 494 NHI ARG 55 1. 950 19. ,818 46. 738 1. 00 51. ,75 ATOM 495 HH11 ARG 55 1. 181 20. 384 46. 445 1. 00 0. 00 ATOM 496 HH12 ARG 55 1. 803 19. 025 47. 333 1. 00 0. 00 ATOM 497 NH2 ARG 55 4. 204 19. 345 46. 686 1. 00 55. 41 ATOM 498 HH21 ARG 55 5. 129 19. 569 46. 367 1. 00 0. 00 ATOM 499 HH22 ARG 55 4. 061 18. 561 47. 291 1. 00 0. ,00 ATOM 500 C ARG 55 0. 278 20. 539 42. 586 1. 00 17. 44 ATOM 501 O ARG 55 0. 162 20. 289 41. 386 1. 00 16. 40 163 - ATOM 502 N PHE 56 -0.697 19.642 43.472 1.00 12.91 ATOM 503 H PHE 56 •0 .795 19 .904 44 .409 1 .00 0 .00 ATOM 504 CA PHE 56 ■ 1 .038 18 .276 43 .087 1 .00 11 .38 ATOM 505 CB PHE 56 ■ 0 .670 17 .295 44 .192 1 .00 7 .94 ATOM 506 CG PHE 56 0 .767 17 .346 44 .596 1 .00 9 .45 ATOM 507 CDl PHE 56 1 .134 17 .879 45 .828 1 .00 9 .25 ATOM 508 CD2 PHE 56 1 .756 16 .864 43 .751 1 .00 7 .32 ATOM 509 CEI PHE 56 2 .468 17 .931 46, .213 1, .00 7 .59 ATOM 510 CE2 PHE 56 3. .093 16 .911 44, .126 1. .00 10, .67 ATOM 511 CZ PHE 56 3 .449 17 .448 45 .362 1 .00 7 .88 ATOM 512 C PHE 56 •2 .518 18 .128 42, .806 1, .00 10, .74 ATOM 513 O PHE 56 • 3, .354 18 .696 43, .502 1, .00 11. .90 ATOM 514 N HIS 57 • 2. .835 17, .346 41. .786 1. .00 12. .61 ATOM 515 H HIS 57 2. .116 16, .929 41. .249 1. .00 0. .00 ATOM 516 CA HIS 57 4, .217 17, .082 41. .405 1. .00 12. .51 ATOM 517 CB HIS 57 4. .550 17, .771 40. .076 1. ,00 15. .95 ATOM 518 CG HIS 57 4. .415 19. .263 40. .108 1. .00 16. .89 ATOM 519 CD2 HIS 57 3. .346 20. .065 39. .882 1. ,00 17. .62 ATOM 520 NDI HIS 57 5. .466 20. .103 40. .413 1. .00 21. .02 ATOM 521 HD1 HIS 57 6. .378 19. .803 40. .644 1. .00 0. .00 ATOM 522 CEI HIS 57 5. .050 21. .356 40. .374 1. .00 18. .85 ATOM 523 NE2 HIS 57 3. .770 21. .361 40. .056 1. .00 17. .75 ATOM 524 HE2 HIS 57 3. .184 22. .148 40. .028 1. .00 0. .00 ATOM 525 C HIS 57 4. .288 15. .567 41. .245 1. ,00 11. .47 ATOM 526 O HIS 57 3. .451 14. .981 40. .553 1. ,00 9. .71 ATOM 527 N HIS 58 5. .226 14. .932 41. ,947 1. ,00 10. ,52 ATOM 528 H HIS 58 5. .837 15. .442 42. .530 1. ,00 0. .00 ATOM 529 CA HIS 58 5. .387 13. .478 41. .892 1. .00 7. .58 ATOM 530 CB HIS 58 5. .236 12. .884 43. .293 1. .00 4, .66 ATOM 531 CG HIS 58 3. .964 13. .291 43. .973 1. .00 4, .02 ATOM 532 CD2 HIS 58 3. .707 14. .285 44. .855 1. .00 2, .46 ATOM 533 NDI HIS 58 2. .748 12. .703 43. .697 1. .00 3, .15 ATOM 534 HD1 HIS 58 2. .585 11. .924 43. .109 1. .00 0, .00 ATOM 535 CEI HIS 58 1. .799 13. .318 44. .372 1. .00 2, .00 ATOM 536 NE2 HIS 58 2. .354 14. .281 45. .082 1. .00 3, .60 ATOM 537 HE2 HIS 58 1. .914 14. .927 45. .656 1. .00 0, .00 ATOM 538 C HIS 58 6. .734 13. .130 41. .302 1. .00 6, .91 ATOM 539 O HIS 58 7. .773 13, .391 41, .905 1. .00 10 .26 ATOM 540 N PHE 59 6. .704 12, .588 40, .093 1, .00 8 .54 - 164 ATOM 541 H PHE 59 -5.843 12.465 39.640 1.00 0.00 ATOM 542 CA PHE 59 -7.907 12.202 39.372 1.00 5.78 ATOM 543 CB PHE 59 -7.816 12.653 37.915 1.00 7.34 ATOM 544 CG PHE 59 -7.752 14.138 37.749 1.00 7.56 ATOM 545 CDl PHE 59 -6.533 14.796 37.774 1.00 8.46 ATOM 546 CD2 PHE 59 -8.913 14.881 37.588 1.00 6.77 ATOM 547 CEI PHE 59 -6.466 16.181 37.646 1.00 10.40 ATOM 548 CE2 PHE 59 -8.856 16.263 37.461 1.00 9.75 ATOM 549 CZ PHE 59 -7.630 16.915 37.492 1.00 11.63 ATOM 550 C PHE 59 -8.126 10.703 39.410 1.00 6.79 ATOM 551 O PHE 59 -7.342 9.932 38.852 1.00 7.41 ATOM 552 N PRO 60 -9.188 10.263 40.089 1.00 9.70 ATOM 553 CD PRO 60 • 10.180 11.018 40.877 1.00 6.89 ATOM 554 CA PRO 60 -9.444 8.826 40.147 1.00 10.01 ATOM 555 CB PRO 60 10.483 8.718 41.258 1.00 10.34 ATOM 556 CG PRO 60 11.247 9.988 41.119 1.00 9.58 ATOM 557 C PRO 60 -9.983 8.349 38.804 1.00 13.30 ATOM 558 O PRO 60 10.806 9.023 38.174 1.00 14.14 ATOM 559 N ILE 61 -9.457 7.226 38.339 1.00 13.16 ATOM 560 H ILE 61 -8.791 6.793 38.870 1.00 0.00 ATOM 561 CA ILE 61 -9.857 6.625 37.079 1.00 13.78 ATOM 562 CB ILE 61 -8.615 6.239 36.246 1.00 11.71 ATOM 563 CG2 ILE 61 -9.025 5.656 34.906 1.00 13.24 ATOM 564 CGI ILE 61 -7.715 7.460 36.041 1.00 9.66 ATOM 565 CD ILE 61 -6.386 7.129 35.387 1.00 6.22 ATOM 566 C ILE 61 10.651 5.366 37.432 1.00 15.81 ATOM 567 O ILE 61 10.165 4.499 38.167 1.00 14.88 ATOM 568 N GLU 62 11.883 5.286 36.947 1.00 19.32 ATOM 569 H GLU 62 12.238 6.005 36.378 1.00 0.00 ATOM 570 CA GLU 62 12.723 4.132 37.233 1.00 23.46 ATOM 571 CB GLU 62 14.100 4.575 37.737 1.00 28.96 ATOM 572 CG GLU 62 14.963 3.422 38.253 1.00 36.57 ATOM 573 CD GLU 62 16.337 3.864 38.716 1.00 40.63 ATOM 574 OEI GLU 62 17.320 3.612 37.980 1.00 41.74 ATOM 575 OE2 GLU 62 16.434 4.450 39.819 1.00 41.68 ATOM 576 C GLU 62 12.884 3.230 36.021 1.00 21.41 ATOM 577 O GLU 62 12.984 3.707 34.892 1.00 21.22 ATOM 578 N ARG 63 12.867 1.925 36.262 1.00 21.79 ATOM 579 H ARG 63 12.783 1.600 37.186 1.00 0.00 - 165 ATOM 580 CA ARG 63 ■ 13.036 0.943 35.205 1.00 25.45 ATOM 581 CB ARG 63 12 .425 -0 .391 35 .615 1 .00 27 .80 ATOM 582 CG ARG 63 12 .414 -1 .419 34 .496 1 .00 33 .00 ATOM 583 CD ARG 63 11 .931 -2 .760 34 .997 1 .00 33 .41 ATOM 584 NE ARG 63 12 .828 -3 .269 36 .027 1 .00 35 .94 ATOM 585 HE ARG 63 13 .722 -2 .876 36 .094 1 00 0 .00 ATOM 586 CZ ARG 63 12 .516 -4 .231 36 .887 1 00 35 .92 ATOM 587 NHI ARG 63 11 .318 -4 .806 36 .851 1 00 37 .94 ATOM 588 HH11 ARG 63 10 .639 -4 .529 36 .173 1 00 0 00 ATOM 589 HH12 ARG 63 11 .100 -5 528 37 509 1 00 0 00 ATOM 590 NH2 ARG 63 13 .406 -4 .610 37 793 1 00 36 87 ATOM 591 HH21 ARG 63 14 306 -4 173 37 818 1 00 0 00 ATOM 592 HH22 ARG 63 13 189 -5 331 38 .450 1 00 0 00 ATOM 593 C ARG 63 14 529 0 767 34 999 1 00 26 74 ATOM 594 O ARG 63 15 218 0 244 35 872 1 00 29 01 ATOM 595 N GLN 64 15 028 1 218 33 856 1 00 29 10 ATOM 596 H GLN 64 14 402 1 626 33 234 1 00 0 00 ATOM 597 CA GLN 64 16 449 1 125 33 538 1 00 32 01 ATOM 598 CB GLN 64 16 757 1 886 32 247 1 00 31 94 ATOM 599 CG GLN 64 16 217 3 306 32 192 1 00 35 07 ATOM 600 CD GLN 64 16 893 4 236 33 175 1 00 36 14 ATOM 601 OEI GLN 64 16 698 4 135 34 384 1 00 36 71 ATOM 602 NE2 GLN 64 17 681 5 164 32 655 1 00 40 49 ATOM 603 HE21 GLN 64 17 785 5 194 31 683 1 00 0 00 ATOM 604 HE22 GLN 64 18 122 5 773 33 280 1 00 0 00 ATOM 605 C GLN 64 16 911 -0 318 33 385 1 00 35 23 ATOM 606 O GLN 64 16 117 -1 214 33 084 1 00 36 40 ATOM 607 N LEU 65 18 215 -0 523 33 551 1 00 39 04 ATOM 608 H LEU 65 18 766 0 242 33 804 1 00 0 00 ATOM 609 CA LEU 65 18 834 -1 842 33 428 1 00 41 57 ATOM 610 CB LEU 65 20 361 -1 731 33 578 1 00 45 35 ATOM 611 CG LEU 65 21 194 -1 014 32 498 1 00 48 79 ATOM 612 CDl LEU 65 22 682 -1 210 32 774 1 00 48 80 ATOM 613 CD2 LEU 65 20 861 0 477 32 425 1 00 48 69 ATOM 614 C LEU 65 18 490 -2 498 32 089 1 00 40 88 ATOM 615 O LEU 65 18 406 -3 720 31 988 1 00 41 06 ATOM 616 N ASN 66 18 281 -1 670 31 070 1 00 40 78 ATOM 617 H ASN 66 18 363 -0 709 31 237 1 00 0 00 ATOM 618 CA ASN 66 17 946 -2 155 29 735 1 00 39 66 166 ATOM 619 CB ASN 66 ■ 18.496 -1.214 28.649 1.00 43.14 ATOM 620 CG ASN 66 • 18.333 0.255 28.995 1.00 46.18 ATOM 621 ODI ASN 66 ■ 18.884 0.742 29.987 1.00 48.62 ATOM 622 ND2 ASN 66 ■ 17.605 0.977 28.161 1.00 45.77 ATOM 623 HD21 ASN 66 • 17.199 0.536 27.388 1.00 0.00 ATOM 624 HD22 ASN 66 • 17.532 1.927 28.370 1.00 0.00 ATOM 625 C ASN 66 ■ 16.464 -2.440 29.505 1.00 36.70 ATOM 626 O ASN 66 ■ 16.045 -2.686 28.375 1.00 35.57 ATOM 627 N GLY 67 ■ 15.676 -2.408 30.577 1.00 35.06 ATOM 628 H GLY 67 ■ 16.031 -2.213 31.465 1.00 0.00 ATOM 629 CA GLY 67 • 14.253 -2.686 30.467 1.00 32.41 ATOM 630 C GLY 67 13.349 -1.520 30.106 1.00 30.31 ATOM 631 O GLY 67 12.138 -1.697 29.991 1.00 30.24 ATOM 632 N THR 68 13.923 -0.338 29.904 1.00 28.66 ATOM 633 H THR 68 14.888 -0.234 29.971 1.00 0.00 ATOM 634 CA THR 68 13.128 0.838 29.574 1.00 25.46 ATOM 635 CB THR 68 13.872 1.785 28.620 1.00 26.78 ATOM 636 OG1 THR 68 15.186 2.052 29.127 1.00 27.70 ATOM 637 HG1 THR 68 15.620 2.606 28.472 1.00 0.00 ATOM 638 CG2 THR 68 13.957 1.180 27.230 1.00 27.47 ATOM 639 C THR 68 12.746 1.596 30.838 1.00 23.00 ATOM 640 O THR 68 13.144 1.220 31.938 1.00 22.61 ATOM 641 N TYR 69 11.995 2.678 30.673 1.00 20.59 ATOM 642 H TYR 69 11.718 2.938 29.778 1.00 0.00 ATOM 643 CA TYR 69 11.551 3.483 31.796 1.00 15.58 ATOM 644 CB TYR 69 10.047 3.328 31.978 1.00 12.63 ATOM 645 CG TYR 69 -9.664 1.936 32.386 1.00 12.79 ATOM 646 CDl TYR 69 -9.485 0.934 31.433 1.00 10.68 ATOM 647 CEI TYR 69 -9.189 -0.370 31.815 1.00 13.20 ATOM 648 CD2 TYR 69 -9.533 1.601 33.731 1.00 9.78 ATOM 649 CE2 TYR 69 -9.236 0.308 34.119 1.00 11.49 ATOM 650 CZ TYR 69 -9.067 -0.674 33.161 1.00 11.48 ATOM 651 OH TYR 69 -8.785 -1.961 33.546 1.00 13.55 ATOM 652 HH TYR 69 -8.850 -2.067 34.504 1.00 0.00 ATOM 653 C TYR 69 11.897 4.936 31.583 1.00 15.95 ATOM 654 O TYR 69 11.727 5.468 30.487 1.00 13.25 ATOM 655 N ALA 70 12.361 5.591 32.638 1.00 17.69 ATOM 656 H ALA 70 12.479 5.142 33.508 1.00 0.00 ATOM 657 CA ALA 70 12.725 6.991 32.533 1.00 19.16 167 ATOM 658 CB ALA 70 •14.150 7.121 31.981 1.00 18.87 ATOM 659 C ALA 70 •12 .608 7 .742 33 .848 1 .00 18 .59 ATOM 660 O ALA 70 ■ 12 .844 7 .184 34 .925 1 .00 19 .11 ATOM 661 N ILE 71 ■ 12 .155 8 .985 33 .749 1 .00 19 .47 ATOM 662 H ILE 71 ■ 11 .906 9 .337 32 .870 1 .00 0 .00 ATOM 663 CA ILE 71 • 12 .048 9 .864 34 .897 1 .00 19 .95 ATOM 664 CB ILE 71 •11 .037 10 .989 34 .645 1 .00 21 .71 ATOM 665 CG2 ILE 71 •11 .010 11 .948 35 .814 1 .00 20 .85 ATOM 666 CGI ILE 71 -9 .644 10 .405 34 .428 1 .00 21 .25 ATOM 667 CD ILE 71 -8 .597 11, .453 34, .109 1. .00 23. .55 ATOM 668 C ILE 71 ■ 13, .448 10, .455 34, .936 1, .00 21. .14 ATOM 669 O ILE 71 ■ 14, .049 10, .673 33, .888 1. .00 19, .95 ATOM 670 N ALA 72 13, .991 10, .669 36, .126 1. .00 25. .60 ATOM 671 H ALA 72 13. .484 10, .472 36, .937 1, .00 0. .00 ATOM 672 CA ALA 72 15, .335 11, .220 36, .240 1. .00 30. .18 ATOM 673 CB ALA 72 15, .679 11. .495 37. .698 1, .00 31. .23 ATOM 674 C ALA 72 15. .458 12. .494 35. .412 1. .00 33. .10 ATOM 675 O ALA 72 14. .651 13. .418 35. .551 1. .00 34. .99 ATOM 676 N GLY 73 16. .425 12. .502 34. .500 1. ,00 33. ,63 ATOM 677 H GLY 73 16. .972 11. .706 34. ,360 1. ,00 0. ,00 ATOM 678 CA GLY 73 16. .643 13. .663 33. .658 1. .00 34. ,45 ATOM 679 C GLY 73 15. .998 13. .530 32. .293 1. .00 34. .98 ATOM 680 O GLY 73 16. .470 14. .113 31. .317 1. .00 36. .54 ATOM 681 N GLY 74 14. .931 12. .743 32. .221 1. .00 34. ,48 ATOM 682 H GLY 74 14. .615 12. .263 33. .010 1. .00 0. ,00 ATOM 683 CA GLY 74 14. .230 12. .558 30. .966 1. .00 32. .55 ATOM 684 C GLY 74 14. .704 11. .388 30. .130 1. .00 32. .17 ATOM 685 O GLY 74 15. ,632 10. ,666 30. ,493 1. ,00 32. ,72 ATOM 686 N LYS 75 14. .040 11. .200 28. .997 1. .00 31. ,90 ATOM 687 H LYS 75 13. .309 11. .813 28. .811 1. .00 0. ,00 ATOM 688 CA LYS 75 14. .361 10. .125 28. .075 1. .00 30. .83 ATOM 689 CB LYS 75 14. .002 10. .536 26. .645 1. .00 34. .04 ATOM 690 CG LYS 75 12. .604 11. .124 26. .486 1. .00 37. .94 ATOM 691 CD LYS 75 12. .207 11. .203 25. .022 1. .00 40. .86 ATOM 692 CE LYS 75 12. .088 9. .811 24. .408 1. .00 44. .39 ATOM 693 NZ LYS 75 11. .678 9. .850 22. .977 1. .00 46, .69 ATOM 694 HZ1 LYS 75 10. .759 10. .330 22. .888 1, .00 0. .00 ATOM 695 HZ2 LYS 75 12. .394 10. .355 22. .419 1. .00 0. .00 ATOM 696 HZ3 LYS 75 11. .601 8. .873 22. .628 1. .00 0. .00 - 168 ATOM 697 C LYS 75 -13.652 8.825 28.443 1.00 29.70 ATOM 698 O LYS 75 -12.567 8.840 29.035 1.00 29.72 ATOM 699 N ALA 76 -14.264 7.705 28.072 1.00 26.68 ATOM 700 H ALA 76 -15.096 7.775 27.566 1.00 0.00 ATOM 701 CA ALA 76 -13.711 6.388 28.352 1.00 26.38 ATOM 702 CB ALA 76 -14.813 5.334 28.327 1.00 26.29 ATOM 703 C ALA 76 -12.621 6.028 27.355 1.00 23.85 ATOM 704 O ALA 76 -12.590 6.542 26.241 1.00 23.96 ATOM 705 N HIS 77 -11.718 5.149 27.769 1.00 23.92 ATOM 706 H HIS 77 -11.794 4.779 28.678 1.00 0.00 ATOM 707 CA HIS 77 -10.624 4.715 26.915 1.00 23.21 ATOM 708 CB HIS 77 -9.349 5.468 27.270 1.00 22.18 ATOM 709 CG HIS 77 -9.466 6.947 27.097 1.00 22.49 ATOM 710 CD2 HIS 77 -9.273 7.732 26.012 1.00 23.47 ATOM 711 NDI HIS 77 -9.870 7.784 28.111 1.00 25.61 ATOM 712 HD1 HIS 77 • 10.123 7.524 29.028 1.00 0.00 ATOM 713 CEI HIS 77 -9.920 9.025 27.662 1.00 25.59 ATOM 714 NE2 HIS 77 -9.563 9.020 26.390 1.00 24.65 ATOM 715 HE2 HIS 77 -9.544 9.793 25.792 1.00 0.00 ATOM 716 C HIS 77 ■ 10.413 3.227 27.073 1.00 23.54 ATOM 717 O HIS 77 ■ 10.833 2.640 28.067 1.00 22.48 ATOM 718 N CYS 78 -9.762 2.622 26.086 1.00 24.06 ATOM 719 H CYS 78 -9.468 3.146 25.315 1.00 0.00 ATOM 720 CA CYS 78 -9.500 1.186 26.089 1.00 25.49 ATOM 721 CB CYS 78 -8.831 0.762 24.782 1.00 28.48 ATOM 722 SG CYS 78 -9.718 1.274 23.311 1.00 45.92 ATOM 723 C CYS 78 -8.625 0.743 27.245 1.00 20.86 ATOM 724 O CYS 78 -8.675 -0.413 27.649 1.00 21.75 ATOM 725 N GLY 79 -7.791 1.646 27.740 1.00 17.20 ATOM 726 H GLY 79 -7.750 2.555 27.393 1.00 0.00 ATOM 727 CA GLY 79 -6.919 1.297 28.839 1.00 13.97 ATOM 728 C GLY 79 -6.204 2.501 29.408 1.00 13.22 ATOM 729 O GLY 79 -6.291 3.600 28.848 1.00 12.24 ATOM 730 N PRO 80 -5.473 2.314 30.518 1.00 14.67 ATOM 731 CD PRO 80 -5.345 1.022 31.222 1.00 16.84 ATOM 732 CA PRO 80 -4.714 3.358 31.207 1.00 15.78 ATOM 733 CB PRO 80 -4.108 2.610 32.402 1.00 17.64 ATOM 734 CG PRO 80 -4.039 1.179 31.930 1.00 17.90 ATOM 735 C PRO 80 -3.645 3.991 30.321 1.00 14.91 - 169 ATOM 736 O PRO 80 3.434 5.206 30.357 1.00 15.49 ATOM 737 N ALA 81 3 .003 3 .168 29 .500 1 .00 13 .13 ATOM 738 H ALA 81 3 .231 2 .212 29 .488 1 .00 0 .00 ATOM 739 CA ALA 81 1 .969 3 .645 28 .594 1 .00 13 .20 ATOM 740 CB ALA 81 1 .325 2 .474 27 .882 1 .00 11 .11 ATOM 741 C ALA 81 2 .585 4 .602 27 584 1 00 12 98 ATOM 742 O ALA 81 2 .080 5 706 27 376 1 00 9 81 ATOM 743 N GLU 82 3 .712 4 185 27 006 1 00 15 40 ATOM 744 H GLU 82 4 .074 3 319 27 268 1 00 0 00 ATOM 745 CA GLU 82 4 .432 4 975 26 007 1 00 16 50 ATOM 746 CB GLU 82 5 .578 4 165 25 391 1 00 18 83 ATOM 747 CG GLU 82 5 .143 3 076 24 417 1 00 22 18 ATOM 748 CD GLU 82 4 391 1 934 25 087 1 00 29 04 ATOM 749 OEI GLU 82 4 960 1 286 25 992 1 00 29 04 ATOM 750 OE2 GLU 82 3 228 1 678 24 702 1 00 36 49 ATOM 751 C GLU 82 4 974 6 266 26 594 1 00 16 45 ATOM 752 O GLU 82 5 064 7 287 25 905 1 00 15 38 ATOM 753 N LEU 83 5 338 6 215 27 868 1 00 15 01 ATOM 754 H LEU 83 5 252 5 365 28 350 1 00 0 00 ATOM 755 CA LEU 83 5 863 7 378 28 567 1 00 13 23 ATOM 756 CB LEU 83 6 453 6 957 29 920 1 00 11 92 ATOM 757 CG LEU 83 7 191 8 010 30 748 1 00 9 05 ATOM 758 CDl LEU 83 8 321 7 365 31 526 1 00 6 47 ATOM 759 CD2 LEU 83 6 217 8 729 31 669 1 00 8 09 ATOM 760 C LEU 83 4 770 8 431 28 743 1 00 12 70 ATOM 761 O LEU 83 4 964 9 603 28 415 1 00 13 58 ATOM 762 N CYS 84 3 608 8 013 29 228 1 00 12 46 ATOM 763 H CYS 84 3 484 7 068 29 473 1 00 0 00 ATOM 764 CA CYS 84 2 508 8 948 29 419 1 00 11 61 ATOM 765 CB CYS 84 1 387 8 289 30 207 1 00 10 43 ATOM 766 SG CYS 84 1 915 7 860 31 867 1 00 10 33 ATOM 767 C CYS 84 1 997 9 485 28 092 1 00 13 49 ATOM 768 O CYS 84 1 591 10 640 28 003 1 00 12 47 ATOM 769 N GLU 85 2 024 8 640 27 064 1 00 16 19 ATOM 770 H GLU 85 2 346 7 726 27 199 1 00 0 00 ATOM 771 CA GLU 85 1 590 9 035 25 729 1 00 18 26 ATOM 772 CB GLU 85 1 542 7 812 24 802 1 00 19 98 ATOM 773 CG GLU 85 0 .393 6 843 25 144 1 00 26 .96 ATOM 774 CD GLU 85 0 .462 5 .465 24 456 1 00 28 .02 170 ATOM 775 OEI GLU 85 0.570 4.759 24.466 1.00 25.08 ATOM 776 OE2 GLU 85 -1 .530 5 .069 23 .937 1 .00 27 .13 ATOM 777 C GLU 85 -2 .537 10 .113 25 .192 1 .00 19 .29 ATOM 778 O GLU 85 -2 .099 11 .077 24 .564 1 .00 22 .26 ATOM 779 N PHE 86 -3 .824 9 .985 25 .508 1 .00 18 .82 ATOM 780 H PHE 86 -4 .103 9 .216 26 .042 1 .00 0 .00 ATOM 781 CA PHE 86 -4 .839 10 .948 25 .080 1 .00 15 .74 ATOM 782 CB PHE 86 -6 .240 10 .391 25 .368 1 .00 14 .90 ATOM 783 CG PHE 86 -7 .350 11 .360 25 .084 1 .00 17 .05 ATOM 784 CDl PHE 86 -7 .867 11 .487 23 .801 1 .00 20 .88 ATOM 785 CD2 PHE 86 -7 .867 12 .167 26 .096 1 .00 17 .90 ATOM 786 CEI PHE 86 -8 .883 12 .407 23 .529 1 .00 21 .36 ATOM 787 CE2 PHE 86 -8 .878 13 .089 25 .834 1 .00 16 .83 ATOM 788 CZ PHE 86 -9 .387 13 .209 24 .551 1 .00 20 .44 ATOM 789 C PHE 86 -4 .674 12 .313 25 .762 1. .00 15, .39 ATOM 790 O PHE 86 -4, .705 13, .355 25, .104 1, .00 9, .31 ATOM 791 N TYR 87 -4. .511 12. .302 27, .082 1. .00 14. .05 ATOM 792 H TYR 87 -4. .518 11. .448 27. .562 1. .00 0. .00 ATOM 793 CA TYR 87 -4. .357 13. .542 27. .838 1. .00 16. .04 ATOM 794 CB TYR 87 -4. .645 13. .303 29. .316 1. .00 15. .23 ATOM 795 CG TYR 87 -6. .106 13. .035 29. .553 1. .00 17. .80 ATOM 796 CDl TYR 87 -6. .551 11. .781 29. .964 1. ,00 20. .66 ATOM 797 CEI TYR 87 -7. .911 11. .519 30. .142 1. ,00 21. .74 ATOM 798 CD2 TYR 87 -7. .056 14. .028 29. .327 1. ,00 19. .58 ATOM 799 CE2 TYR 87 -8. ,411 13. ,780 29. ,500 1. .00 19. .90 ATOM 800 CZ TYR 87 -8. ,834 12. .526 29. ,907 1. 00 22. .31 ATOM 801 OH TYR 87 10. .179 12. .284 30. ,070 1. ,00 24. .09 ATOM 802 HH TYR 87 10. ,601 13. .151 29. ,992 1. 00 0. .00 ATOM 803 C TYR 87 -3. ,042 14. ,282 27. ,629 1. 00 15. .72 ATOM 804 O TYR 87 -2. ,918 15. ,457 27. ,988 1. 00 13. .60 ATOM 805 N SER -2. 059 13. 598 27. 054 1. 00 17. ,80 ATOM 806 H SER -2. 164 12. ,641 26. 866 1. 00 0. ,00 ATOM 807 CA SER -0. 775 14. 222 26. 763 1. 00 23. ,25 ATOM 808 CB SER 88 0. ,258 13. ,165 26. ,371 1. 00 23. .49 ATOM 809 OG SER 88 0. 617 12. ,360 27. 480 1. 00 33. .23 ATOM 810 HG SER 0. 973 12. 975 28. 143 1. 00 0. ,00 ATOM 811 C SER -0. 938 15. 226 25. 619 1. 00 26. .20 ATOM 812 O SER -0. 278 16. 265 25. 595 1. 00 28. .26 ATOM 813 N ARG 89 -1. 822 14. 908 24. 677 1. 00 30. 06 171 ATOM 814 H ARG 89 -2.342 14.080 24.761 1.00 0.00 ATOM 815 CA ARG 89 -2 .070 15 .771 23 .524 1 .00 33 .80 ATOM 816 CB ARG 89 -2 .350 14 .931 22 .269 1 .00 37 .17 ATOM 817 CG ARG 89 -1 .112 14 .334 21 .598 1 .00 43 .59 ATOM 818 CD ARG 89 -0 .425 13 .287 22 .464 1 .00 47 .19 ATOM 819 NE ARG 89 0 .796 12 .767 21 .848 1 .00 51 .34 ATOM 820 HE ARG 89 0 .710 12 .040 21 .193 1 .00 0 .00 ATOM 821 CZ ARG 89 2 .023 13 .219 22 .103 1 .00 53 .00 ATOM 822 NHI ARG 89 2 .212 14 .212 22 .967 1, .00 53, .42 ATOM 823 HH11 ARG 89 1 .435 14 .633 23 .434 1, .00 0 .00 ATOM 824 HHl2 ARG 89 3. .142 14 .533 23 .154 1, .00 0, .00 ATOM 825 NH2 ARG 89 3. .070 12 .664 21 .503 1. .00 54, .73 ATOM 826 HH21 ARG 89 2. .936 11 .899 20, .870 1. .00 0. .00 ATOM 827 HH22 ARG 89 3, .993 13 .004 21 .690 1. .00 0, .00 ATOM 828 C ARG 89 -3, .224 16. .747 23, .742 1. .00 33. .93 ATOM 829 O ARG 89 -3, .220 17. .849 23, .195 1. .00 35. .37 ATOM 830 N ASP 90 -4. .206 16. .342 24. .539 1. .00 34. .09 ATOM 831 H ASP 90 -4. .177 15. .460 24. .968 1. .00 0. .00 ATOM 832 CA ASP 90 -5. .370 17. .181 24. .797 1. ,00 32. .55 ATOM 833 CB ASP 90 -6. .533 16. .707 23. .907 1. ,00 34. ,44 ATOM 834 CG ASP 90 -7. .780 17. .576 24. .028 1. ,00 37. ,74 ATOM 835 ODI ASP 90 -8. .865. 17. .075 23. .662 1. ,00 42. .07 ATOM 836 OD2 ASP 90 -7. .688 18. .749 24. .464 1. ,00 36. .32 ATOM 837 C ASP 90 -5. .775 17. .137 26. .271 1. ,00 31. .21 ATOM 838 O ASP 90 -6. .160 16. .086 26. .784 1. ,00 29. .06 ATOM 839 N PRO 91 -5. .678 18. .280 26. .974 1. ,00 31. .00 ATOM 840 CD PRO 91 -5. .144 19. .571 26. .500 1. ,00 31. .27 ATOM 841 CA PRO 91 -6. .046 18. .363 28. .391 1. ,00 30. .53 ATOM 842 CB PRO 91 -5. .938 19. .860 28. .677 1. .00 30. .79 ATOM 843 CG PRO 91 -4. .817 20. .280 27. .793 1. .00 30. .18 ATOM 844 C PRO 91 -7. ,479 17. .869 28. .576 1. ,00 30. .82 ATOM 845 O PRO 91 -7. ,783 17. .169 29. .536 1. ,00 32. .23 ATOM 846 N ASP 92 -8. .358 18. .287 27. .664 1. ,00 31. .25 ATOM 847 H ASP 92 -8. .041 18. .890 26. .966 1. .00 0. .00 ATOM 848 CA ASP 92 -9. .768 17. .895 27. .660 1. .00 29. .68 ATOM 849 CB ASP 92 -9. .906 16. .470 27. .097 1. .00 32. .25 ATOM 850 CG ASP 92 11. .281 16. .192 26. .498 1. .00 33. .34 ATOM 851 ODI ASP 92 11. .880 15, .142 26, .826 1. .00 33. .77 ATOM 852 OD2 ASP 92 11. .748 17, .009 25, .679 1. .00 39. .38 - 172 ATOM 853 c ASP 92 -10.423 18.005 29.043 1.00 30.56 ATOM 854 O ASP 92 -11 .208 17 .142 29 .442 1 .00 30 .28 ATOM 855 N GLY 93 -10 .099 19 .079 29 .762 1 .00 29 .01 ATOM 856 H GLY 93 -9 .464 19 .737 29 .417 1 .00 0 .00 ATOM 857 CA GLY 93 -10 .665 19 .285 31 .084 1 .00 27 .68 ATOM 858 c GLY 93 -9 .654 19 .345 32 .218 1 .00 27 .53 ATOM 859 O GLY 93 -9 .933 19 .912 33 .278 1 .00 28 .17 ATOM 860 N LEU 94 -8 .488 18 .737 32 .020 1 .00 25 .94 ATOM 861 H LEU 94 -8 .329 18 .255 31 .183 1 .00 0 .00 ATOM 862 CA LEU 94 -7 .451 18 .741 33 .046 1 .00 26 .33 ATOM 863 CB LEU 94 -6 .353 17 .725 32 .710 1 .00 22 .36 ATOM 864 CG LEU 94 -6 .696 16 .241 32 .594 1 .00 22, .65 ATOM 865 CDl LEU 94 -5 .403 15 .473 32 .399 1 .00 20, .32 ATOM 866 CD2 LEU 94 -7 .429 15 .742 33 .829 1. .00 21, .91 ATOM 867 C LEU 94 -6 .830 20 .133 33 .167 1 .00 27, .78 ATOM 868 O LEU 94 -6 .927 20, .942 32 .239 1. .00 27. .47 ATOM 869 N PRO 95 -6, .175 20, .423 34, .310 1. .00 26. .98 ATOM 870 CD PRO 95 -6, .077 19. .560 35, .502 1. .00 26. .89 ATOM 871 CA PRO 95 -5. .526 21. .715 34. .558 1. .00 26. .62 ATOM 872 CB PRO 95 -4, .898 21. .518 35. .939 1. .00 24. .83 ATOM 873 CG PRO 95 -5. .821 20. .556 36. .598 1. .00 24. .86 ATOM 874 C PRO 95 -4. .456 22. .009 33. .504 1. .00 27. .96 ATOM 875 O PRO 95 -4. .073 23. .163 33. .301 1. .00 29. .86 ATOM 876 N CYS 96 -3. .924 20. .944 32. .909 1. ,00 27. ,78 ATOM 877 H CYS 96 -4. .197 20. .035 33. .153 1. ,00 0. ,00 ATOM 878 CA CYS 96 -2. ,911 21. ,022 31. .859 1. 00 26. ,63 ATOM 879 CB CYS 96 -1. .580 21. .563 32. .394 1. ,00 29. ,10 ATOM 880 SG CYS 96 -0. .785 20. .559 33. .655 1. ,00 33. ,00 ATOM 881 C CYS 96 -2. .715 19. .626 31. .285 1. 00 25. ,83 ATOM 882 O CYS 96 -3. ,114 18. ,633 31. ,897 1. 00 25. 07 ATOM 883 N ASN 97 -2. 145 19. 547 30. ,092 1. 00 24. 09 ATOM 884 H ASN 97 -1. 833 20. 360 29. 642 1. 00 0. 00 ATOM 885 CA ASN 97 -1. 919 18. 259 29. 464 1. 00 24. 47 ATOM 886 CB ASN 97 -1. 613 18. 432 27. 978 1. 00 27. 75 ATOM 887 CG ASN 97 -0. 384 19. 271 27. 734 1. 00 30. 72 ATOM 888 ODI ASN 97 -0. 267 20. 381 28. 255 1. 00 33. 88 ATOM 889 ND2 ASN 97 0. 540 18. 754 26. 936 1. 00 32. 61 ATOM 890 : HD21 ASN 97 0. 370 17. 869 26. 542 1. 00 0. 00 ATOM 891 : HD22 ASN 97 1. 350 19. 270 26. 774 1. 00 0. 00 173 ATOM 892 C ASN 97 -0.779 17.526 30.154 1.00 22.90 ATOM 893 O ASN 97 0 .056 18 .140 30 .820 1 .00 21 .51 ATOM 894 N LEU 98 -0 .756 16 .207 29 .990 1 .00 20 .54 ATOM 895 H LEU 98 -1 .447 15 .800 29 .429 1 .00 0 .00 ATOM 896 CA LEU 98 0 .273 15 .369 30 .591 1 .00 19 .00 ATOM 897 CB LEU 98 -0 .201 13 .913 30 .641 1 .00 14 .90 ATOM 898 CG LEU 98 -1 .503 13 .668 31 .417 1 .00 11 .64 ATOM 899 CDl LEU 98 -1 .847 12 .182 31 .440 1 .00 6. .04 ATOM 900 CD2 LEU 98 -1. .368 14 .215 32 .828 1. .00 9, .37 ATOM 901 C LEU 98 1 .568 15 .498 29 .790 1 .00 20 .67 ATOM 902 O LEU 98 1 .685 14 .970 28 .683 1 .00 22 .82 ATOM 903 N ARG 99 2 .545 16 .180 30 .372 1. .00 20 .51 ATOM 904 H ARG 99 2 .399 16, .534 31 .271 1 .00 0, .00 ATOM 905 CA ARG 99 3, .815 16, .425 29 .712 1, .00 21, .55 ATOM 906 CB ARG 99 4, .261 17, .864 29 .974 1, .00 19, .71 ATOM 907 CG ARG 99 3, .230 18, .899 29, .558 1. .00 22. .45 ATOM 908 CD ARG 99 3. .620 20. .296 29. .990 1. .00 25. .64 ATOM 909 NE ARG 99 2. .530 21. .243 29, .758 1. .00 31. .98 ATOM 910 HE ARG 99 1. .868 21. .026 29. .067 1. .00 0. .00 ATOM 911 CZ ARG 99 2. .366 22. .383 30. .426 1. .00 35. .95 ATOM 912 NHI ARG 99 3. .224 22. .733 31. .380 1. ,00 38. .13 ATOM 913 HH11 ARG 99 4. .000 22. .139 31. .586 1. ,00 0. .00 ATOM 914 HHl2 ARG 99 3. .111 23. .583 31. .889 1. .00 0. .00 ATOM 915 NH2 ARG 99 1. .342 23. .177 30. .139 1. ,00 35. .02 ATOM 916 HH21 ARG 99 0. .700 22. .940 29. .416 1. ,00 0. ,00 ATOM 917 HH22 ARG 99 1. .238 24. .034 30. .643 1. ,00 0. ,00 ATOM 918 C ARG 99 4. .961 15. .471 30. ,022 1. ,00 23. .55 ATOM 919 O ARG 99 5. .461 14. .789 29. ,125 1. ,00 28. .87 ATOM 920 N LYS 100 5. ,377 15. .408 31. .281 1. ,00 21. ,07 ATOM 921 H LYS 100 4. ,912 15. .896 31. .993 1. ,00 0. ,00 ATOM 922 CA LYS 100 6. ,507 14. .564 31. .644 1. ,00 18. .54 ATOM 923 CB LYS 100 7. ,575 15. ,441 32. .304 1. ,00 20. .05 ATOM 924 CG LYS 100 8. ,939 14. ,799 32. .507 1. ,00 27. .37 ATOM 925 CD LYS 100 9. ,891 15. ,784 33. .196 1. ,00 29. .35 ATOM 926 CE LYS 100 11. ,321 15. ,259 33. .266 1. ,00 32. .53 ATOM 927 NZ LYS 100 11. ,443 13. ,994 34. .043 1. ,00 36. .81 ATOM 928 HZ1 LYS 100 10. ,853 13. .266 33. .597 1. ,00 0. .00 ATOM 929 HZ2 LYS 100 11. .123 14. .155 35. .017 1. .00 0. .00 ATOM 930 HZ3 LYS 100 12. .438 13. .683 34. .047 1. .00 0, .00 174 ATOM 931 C LYS 100 6.118 13.410 32.563 1.00 17.15 ATOM 932 O LYS 100 5 .586 13 .627 33 .647 1 .00 16 .18 ATOM 933 N PRO 101 6 .302 12 .162 32 .104 1 .00 16 .34 ATOM 934 CD PRO 101 6 .627 11 .735 30 .734 1 .00 15 .63 ATOM 935 CA PRO 101 5 .961 11 .006 32 .937 1 .00 16 .36 ATOM 936 CB PRO 101 6 .092 9 .830 31 .965 1 .00 16 .00 ATOM 937 CG PRO 101 5 .849 10 .453 30 .620 1 .00 17 .99 ATOM 938 C PRO 101 6 .987 10 .883 34 .064 1 .00 15 .83 ATOM 939 O PRO 101 8 .194 10 .987 33 .832 1 .00 14 .18 ATOM 940 N CYS 102 6 .510 10 .718 35 .287 1, .00 14 .78 ATOM 941 H CYS 102 5, .550 10 .658 35 .443 1, .00 0, .00 ATOM 942 CA CYS 102 7, .410 10, .576 36, .415 1. .00 12, .30 ATOM 943 CB CYS 102 6, .762 11, .078 37 .700 1. .00 8, .52 ATOM 944 SG CYS 102 7, .925 11, .184 39, .064 1. .00 12, .86 ATOM 945 C CYS 102 7, .714 9, .097 36, .511 1. .00 13. .33 ATOM 946 O CYS 102 7. .078 8. .364 37, .266 1. .00 13. .67 ATOM 947 N ASN 103 8, .662 8, .661 35, .693 1. .00 13, .67 ATOM 948 H ASN 103 9. .085 9. .330 35, .108 1. .00 0. .00 ATOM 949 CA ASN 103 9. .073 7. .264 35, .632 1. .00 14. .10 ATOM 950 CB ASN 103 10. .013 7. .041 34. .444 1. .00 15. .80 ATOM 951 CG ASN 103 9. .374 7. .399 33. .124 1. .00 18. .98 ATOM 952 ODI ASN 103 8. .206 7. .101 32. .888 1. .00 19. .82 ATOM 953 ND2 ASN 103 10. .132 8. .056 32. .259 1. ,00 24. .80 ATOM 954 HD21 ASN 103 11. .054 8. .272 32. .491 1. ,00 0. .00 ATOM 955 HD22 ASN 103 9. .730 8. .327 31. .394 1. ,00 0. .00 ATOM 956 C ASN 103 9. .741 6. .767 36. .899 1. ,00 13. .80 ATOM 957 O ASN 103 10. .513 7. .483 37. .537 1. ,00 14. .29 ATOM 958 N ARG 104 9. .448 5. .522 37. .247 1. .00 13. .40 ATOM 959 H ARG 104 8. .826 5. .010 36. .697 1. .00 0. .00 ATOM 960 CA ARG 104 10. .018 4. .896 38. .426 1. 00 14. .48 ATOM 961 CB ARG 104 9. .501 3. .464 38. .556 1. ,00 14. .01 ATOM 962 CG ARG 104 8. .089 3. .354 39. .074 1. .00 11. .01 ATOM 963 CD ARG 104 7. .691 1. .901 39. .222 1. ,00 13. .56 ATOM 964 NE ARG 104 7. .262 1. .324 37. .951 1. ,00 18. .89 ATOM 965 HE ARG 104 6. .380 1. .537 37. .599 1. ,00 0. .00 ATOM 966 CZ ARG 104 8. .001 0. .529 37. .190 1. ,00 16. .72 ATOM 967 NHI ARG 104 9. .227 0. .203 37. .557 1. ,00 24. .48 ATOM 968 HH11 ARG 104 9. ,608 0. ,548 38. .418 1. 00 0. .00 ATOM 969 HH12 ARG 104 9. ,771 -0. ,406 36. .979 1. 00 0. .00 - 175 - ATOM 970 NH2 ARG 104 7.501 0.044 36.065 1.00 24.27 ATOM 971 HH21 ARG 104 6 .570 0 .279 35 .777 1, .00 0 .00 ATOM 972 HH22 ARG 104 8 .060 -0 .560 35 .497 1, .00 0, .00 ATOM 973 C ARG 104 11 .545 4 .871 38 .363 1, .00 17 .95 ATOM 974 O ARG 104 12 .128 4 .542 37 .326 1. .00 16, .59 ATOM 975 N PRO 105 12 .211 5 .235 39 .473 1, .00 21. .58 ATOM 976 CD PRO 105 11, .622 5 .709 40 .738 1. .00 24, .11 ATOM 977 CA PRO 105 13 .674 5, .248 39 .548 1. .00 24. .61 ATOM 978 CB PRO 105 13, .933 5 .750 40 .970 1. .00 25. .94 ATOM 979 CG PRO 105 12, .713 6. .566 41. .285 1. .00 26. .77 ATOM 980 C PRO 105 14. .174 3, .816 39. .403 1. .00 26. .84 ATOM 981 O PRO 105 13. .493 2. .884 39. .829 1. .00 29. .03 ATOM 982 N SER 106 15. .348 3. .629 38. .805 1. ,00 29. .28 ATOM 983 H SER 106 15. .851 4. .400 38. .484 1. ,00 0. .00 ATOM 984 CA SER 106 15. .893 2. .283 38. .652 1. ,00 31. .72 ATOM 985 CB SER 106 17. .306 2. .329 38. .074 1. ,00 34. .84 ATOM 986 OG SER 106 17. .273 2. .524 36. .673 1. ,00 42. .09 ATOM 987 HG SER 106 16. .759 3. .302 36. .439 1. ,00 0. .00 ATOM 988 C SER 106 15. .904 1. .572 40. .002 1. ,00 31. .31 ATOM 989 O SER 106 16. .301 2. .154 41. .017 1. ,00 32. .32 ATOM 990 N GLY 107 15. .433 0. .330 40. .015 1. ,00 27. .87 ATOM 991 H GLY 107 15. .089 -0. .065 39. .190 1. ,00 0. .00 ATOM 992 CA GLY 107 15. .391 -0. .420 41. .252 1. ,00 27. .05 ATOM 993 C GLY 107 14. .041 -0. .345 41. .941 1. .00 26. .16 ATOM 994 O GLY 107 13. .837 -0, .989 42. .971 1. ,00 26, .25 ATOM 995 N LEU 108 13. .130 0, .462 41. .406 1. ,00 25. .02 ATOM 996 H LEU 108 13. .318 1. .005 40. .610 1. .00 0, .00 ATOM 997 CA LEU 108 11. .800 0, .577 41. .986 1. .00 22. .01 ATOM 998 CB LEU 108 11. .375 2, .044 42. .127 1. .00 20, .37 ATOM 999 CG LEU 108 10. .061 2, .277 42, .885 1. .00 19, .84 ATOM 1000 CDl LEU 108 10. .151 1, .672 44, .270 1. .00 20 .62 ATOM 1001 CD2 LEU 108 9. .749 3 .758 42, .985 1. .00 19 .42 ATOM 1002 C LEU 108 10, .831 -0 .173 41, .087 1, .00 22 .30 ATOM 1003 O LEU 108 10, .848 -0 .020 39 .865 1, .00 22 .42 ATOM 1004 N GLU 109 10, .022 -1 .027 41 .699 1, .00 23 .39 ATOM 1005 H GLU 109 10 .052 -1 .102 42 .673 1 .00 0 .00 ATOM 1006 CA GLU 109 9 .041 -1 .824 40 .975 1 .00 21 .29 ATOM 1007 CB GLU 109 9, .231 -3 .310 41, .306 1, .00 28 .00 ATOM 1008 CG GLU 109 10 .625 -3 .868 40 .997 1. .00 34 .55 176 ATOM 1009 CD GLU 109 11.018 -3.719 39.536 1.00 39.08 ATOM 1010 OEI GLU 109 11 .970 -2 .955 39 .253 1 .00 41 .37 ATOM 1011 OE2 GLU 109 10 .378 -4 .363 38 .672 1 .00 40 .88 ATOM 1012 C GLU 109 7 .655 -1 .385 41 .414 1 .00 17 .67 ATOM 1013 O GLU 109 7 .516 -0 .686 42 .420 1 .00 17 .75 ATOM 1014 N PRO 110 6 .619 -1 .718 40 .628 1 .00 13 .39 ATOM 1015 CD PRO 110 6 .595 -2 .348 39 .301 1 .00 8 .68 ATOM 1016 CA PRO 110 5 .274 -1 .316 41 .038 1 .00 11 .28 ATOM 1017 CB PRO 110 4 .405 -1 .856 39 .912 1 .00 9 .37 ATOM 1018 CG PRO 110 5 .315 -1 .825 38 .737 1 .00 9 .71 ATOM 1019 C PRO 110 4 .988 -2, .029 42 .357 1, .00 13. .59 ATOM 1020 O PRO 110 5, .280 -3, .213 42 .503 1, .00 15. .70 ATOM 1021 N GLN 111 4, .451 -1, .293 43, .320 1, .00 14, .83 ATOM 1022 H GLN 111 4, .224 -0, .362 43 .128 1, .00 0, .00 ATOM 1023 CA GLN 111 4, .146 -1, .817 44. .644 1, .00 14, .80 ATOM 1024 CB GLN 111 3, .914 -0, .630 45, .588 1. .00 19. .62 ATOM 1025 CG GLN 111 3. .460 -0. .972 46. .992 1. .00 29. .16 ATOM 1026 CD GLN 111 4. .507 -1. .733 47, .779 1. .00 35. .22 ATOM 1027 OEI GLN 111 5. .675 -1. .338 47. .828 1. .00 39. .00 ATOM 1028 NE2 GLN 111 4. .096 -2. .841 48. .393 1. .00 38. .02 ATOM 1029 HE21 GLN 111 3. .152 -3. .094 48. .292 1. .00 0. .00 ATOM 1030 HE22 GLN 111 4. .763 -3. .331 48. .921 1. .00 0. .00 ATOM 1031 C GLN 111 2. .921 -2. .732 44. .631 1. .00 13. .55 ATOM 1032 O GLN 111 1. .858 -2. .337 44. .164 1. .00 13. .13 ATOM 1033 N PRO 112 3. .064 -3. ,980 45. .117 1. ,00 15. .54 ATOM 1034 CD PRO 112 4. .324 -4. ,595 45. .571 1. ,00 14. .21 ATOM 1035 CA PRO 112 1. .962 -4. .954 45. .169 1. ,00 14. .46 ATOM 1036 CB PRO 112 2. .616 -6. .176 45. .814 1. ,00 17. .80 ATOM 1037 CG PRO 112 4. .043 -6. ,060 45. .391 1. ,00 18. .52 ATOM 1038 C PRO 112 0. .818 -4. .424 46. .036 1. .00 12. .81 ATOM 1039 O PRO 112 1. .044 -3. .924 47. .140 1. .00 13. .23 ATOM 1040 N GLY 113 -0. ,406 -4. ,590 45. .550 1. .00 13. .74 ATOM 1041 H GLY 113 -0. ,506 -5. ,038 44. .681 1. ,00 0. .00 ATOM 1042 CA GLY 113 -1. .585 -4. .095 46. .242 1. .00 16. .62 ATOM 1043 C GLY 113 -1. ,920 -4. ,452 47. .682 1. ,00 20. .03 ATOM 1044 O GLY 113 -2. ,178 -3. ,564 48. .492 1. .00 25. .17 ATOM 1045 N VAL 114 -1. ,964 -5. .742 47. .985 1. .00 15. .08 ATOM 1046 H VAL 114 -1. ,759 -6. ,328 47. .241 1. .00 0. .00 ATOM 1047 CA VAL 114 -2. ,325 -6. ,279 49. .308 1. .00 15. .99 177 - ATOM 1048 CB VAL 114 -2.159 -5.308 50.525 1.00 15.66 ATOM 1049 CGI VAL 114 -2.735 -5.944 51.787 1.00 15.95 ATOM 1050 CG2 VAL 114 -0.691 -5.029 50.785 1.00 18.12 ATOM 1051 C VAL 114 -3.759 -6.788 49.208 1.00 14.14 ATOM 1052 O VAL 114 -4.000 -7.960 49.493 1.00 15.64 ATOM 1053 N PHE 115 -4.694 -5.956 48.749 1.00 12.08 ATOM 1054 H PHE 115 -4.473 -5.029 48.516 1.00 0.00 ATOM 1055 CA PHE 115 -6.065 -6.429 48.583 1.00 8.80 ATOM 1056 CB PHE 115 -7.021 -5.316 48.167 1.00 6.19 ATOM 1057 CG PHE 115 -8.474 -5.719 48.214 1.00 3.76 ATOM 1058 CDl PHE 115 -8.900 -6.745 49.054 1.00 2.76 ATOM 1059 CD2 PHE 115 -9.423 -5.046 47.451 1.00 6.51 ATOM 1060 CEI PHE 115 -10.253 -7.090 49.141 1.00 5.06 ATOM 1061 CE2 PHE 115 -10.781 -5.382 47.528 1.00 6.67 ATOM 1062 CZ PHE 115 -11.197 -6.405 48.376 1.00 6.27 ATOM 1063 C PHE 115 -5.997 -7.464 47.471 1.00 9.14 ATOM 1064 O PHE 115 -6.553 -8.548 47.592 1.00 12.04 ATOM 1065 N ASP 116 -5.287 -7.128 46.398 1.00 9.44 ATOM 1066 H ASP 116 -4.943 -6.208 46.326 1.00 0.00 ATOM 1067 CA ASP 116 -5.120 -8.048 45.272 1.00 12.42 ATOM 1068 CB ASP 116 -4.240 -7.420 44.181 1.00 15.62 ATOM 1069 CG ASP 116 -4.968 -6.372 43.349 1.00 19.07 ATOM 1070 ODI ASP 116 -6.205 -6.246 43.445 1.00 23.47 ATOM 1071 OD2 ASP 116 -4.287 -5.679 42.569 1.00 25.14 ATOM 1072 C ASP 116 -4.466 -9.347 45.740 1.00 11.75 ATOM 1073 O ASP 116 -4.862 -10.445 45.344 1.00 11.50 ATOM 1074 N CLE 117 -3.461 -9.199 46.593 1.00 12.80 ATOM 1075 H CLE 117 -3.267 -8.285 46.841 1.00 0.00 ATOM 1076 CA CLE 117 -2.717 -10.321 47.135 1.00 14.11 ATOM 1077 CB CLE 117 -1.552 -9.797 47.962 1.00 16.88 ATOM 1078 SG CLE 117 -0.415 -11.054 48.533 1.00 22.90 ATOM 1079 B CLE 117 1.110 -9.552 50.024 1.20 31.80 ATOM 1080 C CLE 117 -3.607 -11.241 47.971 1.00 16.15 ATOM 1081 O CLE 117 -3.484 -12.466 47.899 1.00 17.64 ATOM 1082 N LEU 118 -4.509 -10.653 48.753 1.00 15.34 ATOM 1083 H LEU 118 -4.574 -9.678 48.794 1.00 0.00 ATOM 1084 CA LEU 118 -5.419 -11.430 49.579 1.00 13.10 ATOM 1085 CB LEU 118 -5.994 -10.574 50.711 1.00 12.53 ATOM 1086 CG LEU 118 -5.204 -10.607 52.027 1.00 17.96 - 178 ATOM 1087 CDl LEU 118 -3.763 -10.149 51.845 1.00 20.79 ATOM 1088 CD2 LEU 118 -5 .915 -9 .758 53 .078 1 .00 21 .05 ATOM 1089 C LEU 118 -6 .530 -12 .068 48 .744 1 .00 13 .66 ATOM 1090 O LEU 118 -6 .899 -13 .220 48 .977 1 .00 13 .82 ATOM 1091 N ARG 119 -7 .043 -11 .343 47 .752 1 .00 13 .95 ATOM 1092 H ARG 119 -6 .729 -10 .431 47 .595 1 .00 0 .00 ATOM 1093 CA ARG 119 -8 .097 -11 .890 46 .891 1 .00 16 .99 ATOM 1094 CB ARG 119 -8 .685 -10 .835 45 .952 1 .00 18 .77 ATOM 1095 CG ARG 119 -9 .292 -9 .633 46 .630 .00 21 .75 ATOM 1096 CD ARG 119 -10 .186 -8 .859 45 .671 1 .00 24 .22 ATOM 1097 NE ARG 119 -9 .634 -8 .710 44 .325 1 .00 25 .20 ATOM 1098 HE ARG 119 -9 .753 -9 .441 43 .686 1, .00 0 .00 ATOM 1099 CZ ARG 119 -8 .970 -7 .644 43 .889 1 .00 26, .62 ATOM 1100 NHI ARG 119 -8 .751 -6, .613 44, .692 1, .00 26. .88 ATOM 1101 HH11 ARG 119 -9 .079 -6, .630 45, .637 1. .00 0. .00 ATOM 1102 HH12 ARG 119 -8, .258 -5, .813 44. .357 1. .00 0. .00 ATOM 1103 NH2 ARG 119 -8 .552 -7 .596 42. .632 1. .00 28. .12 ATOM 1104 HH21 ARG 119 -8, .731 -8, .366 42. .018 1. .00 0. .00 ATOM 1105 HH22 ARG 119 -8, .055 -6, .793 42. .296 1. .00 0. .00 ATOM 1106 C ARG 119 -7, .573 -13. .042 46. .050 1. .00 16. .34 ATOM 1107 O ARG 119 -8. .338 -13. .911 45. .649 1. .00 20. .19 ATOM 1108 N ASP 120 -6. .279 -13. .038 45. .747 1. ,00 16. .82 ATOM 1109 H ASP 120 -5. .712 -12. .290 46. .047 1. ,00 0. .00 ATOM 1110 CA ASP 120 -5. .699 -14. .123 44. .963 1. ,00 16. .01 ATOM llll CB ASP 120 -4. .195 -13. .924 44. .775 1. ,00 20. .39 ATOM 1112 CG ASP 120 -3. .543 -15. ,068 43. .997 1. 00 26. ,16 ATOM 1113 ODI ASP 120 -3. .897 -15. ,260 42. ,813 1. 00 29. ,33 ATOM 1114 OD2 ASP 120 -2. .682 -15. 778 44. ,570 1. 00 25. ,10 ATOM 1115 C ASP 120 -5. .972 -15. 449 45. ,668 1. 00 12. .54 ATOM 1116 O ASP 120 -6. .566 -16. 346 45. 084 1. 00 13. ,46 ATOM 1117 N ALA 121 -5. .572 -15. ,539 46. ,935 1. ,00 10. .31 ATOM 1118 H ALA 121 -5. .115 -14. ,768 47. ,334 1. 00 0. .00 ATOM 1119 CA ALA 121 -5. ,764 -16. 738 47. ,758 1. 00 11. .07 ATOM 1120 CB ALA 121 -5. ,155 -16. 521 49. ,141 1. 00 9. .11 ATOM 1121 C ALA 121 -7. 237 -17. 132 47. 903 1. 00 9. .94 ATOM 1122 O ALA 121 -7. 585 -18. 311 47. 927 1. 00 13. .51 ATOM 1123 N SEM 122 -8. 103 -16. 140 48. 016 1. 00 9. ,68 ATOM 1124 H SEM 122 -7. 771 -15. 218 48. 000 1. 00 0. .00 ATOM 1125 CA SEM 122 -9. 519 -16. 402 48. 163 1. 00 11. .81 179 ATOM 1126 CB SEM 122 •10.233 -15.133 48.605 1.00 19.02 ATOM 1127 CG SEM 122 -9 .687 -14 .587 49 .905 1 .00 29 .28 ATOM 1128 A SEM 122 • 10 .585 -13 .021 50 .550 1 .00 42 .69 ATOM 1129 CE SEM 122 -9 .376 -12 .528 51 .958 1 .00 36 .95 ATOM 1130 C SEM 122 ■ 10 .151 -16 .974 46 .903 1 .00 9 .90 ATOM 1131 O SEM 122 ■ 11 .056 -17 .804 46 .988 1 .00 10 .61 ATOM 1132 N VAL 123 -9 .693 -16 .526 45 .737 1 .00 10 .83 ATOM 1133 H VAL 123 -8 .993 -15 .829 45 .711 1 .00 0 .00 ATOM 1134 CA VAL 123 10 .223 -17 .029 44 .471 1, .00 10, .83 ATOM 1135 CB VAL 123 -9 .796 -16 .144 43 .277 1, .00 11, .82 ATOM 1136 CGI VAL 123 10. .149 -16, .814 41. .957 1, .00 13, .10 ATOM 1137 CG2 VAL 123 10, .489 -14, .799 43. .358 1, .00 12. .23 ATOM 1138 C VAL 123 -9. .740 -18, .469 44, .269 1. .00 11. .72 ATOM 1139 O VAL 123 10. .492 -19, .332 43, .820 1. .00 11. .90 ATOM 1140 N ARG 124 -8. .496 -18. .737 44. .645 1. .00 11. .15 ATOM 1141 H ARG 124 -7. .934 -18. .012 44. .992 1. .00 0. ,00 ATOM 1142 CA ARG 124 -7. .952 -20. .078 44. .521 1. .00 10. .74 ATOM 1143 CB ARG 124 -6. .496 -20. .113 44, .958 1. .00 13. .48 ATOM 1144 CG ARG 124 -5. .588 -19. .228 44. .150 1. .00 22. .67 ATOM 1145 CD ARG 124 -4. .164 -19. .371 44. .639 1. .00 30. .29 ATOM 1146 NE ARG 124 -3. .677 -20. .737 44. .462 1. .00 34. .80 ATOM 1147 HE ARG 124 -3. .798 -21. .375 45. .202 1. .00 0. .00 ATOM 1148 CZ ARG 124 -3. .075 -21. .173 43. .359 1. .00 36. .89 ATOM 1149 NHI ARG 124 -2. .885 -20. .352 42. .330 1. .00 35. .72 ATOM 1150 HH11 ARG 124 -3. .203 -19. .404 42. .371 1. ,00 0. .00 ATOM 1151 HHl2 ARG 124 -2. .428 -20. .690 41. .503 1. ,00 0. ,00 ATOM 1152 NH2 ARG 124 -2. .646 -22. .427 43. .292 1. ,00 38. ,58 ATOM 1153 HH21 ARG 124 -2. .777 -23. .034 44. .072 1. ,00 0. ,00 ATOM 1154 HH22 ARG 124 -2. .190 -22. .758 42. .469 1. ,00 0. ,00 ATOM 1155 C ARG 124 -8. .750 -20. .989 45. .426 1. ,00 9. ,71 ATOM 1156 O ARG 124 -9. .144 -22. .079 45. .029 1. .00 10. .87 ATOM 1157 N ASP 125 -9. .004 -20. .526 46. .644 1. .00 11. .13 ATOM 1158 H ASP 125 -8. .663 -19. .644 46. .891 1. .00 0. .00 ATOM 1159 CA ASP 125 -9. .753 -21. .311 47. .617 1. .00 10. .38 ATOM 1160 CB ASP 125 -9. .765 -20. .600 48. .974 1. .00 13. .20 ATOM 1161 CG ASP 125 10. .489 -21. .397 50. .051 1. .00 18. .39 ATOM 1162 ODI ASP 125 11. .393 -20. .831 50. .706 1. .00 21. .49 ATOM 1163 OD2 ASP 125 10. .158 -22. .590 50. .238 1. .00 18. .02 ATOM 1164 C ASP 125 11. .174 -21. .617 47. .140 1. .00 8. .61 - 180 ATOM 1165 O ASP 125 -11.652 -22.741 47.266 1.00 11.19 ATOM 1166 N TYR 126 -11 .840 -20.621 46 .579 1 .00 10 .44 ATOM 1167 H TYR 126 -11 .410 -19.747 46 .499 1 .00 0 .00 ATOM 1168 CA TYR 126 -13 .198 -20.802 46 .074 1 .00 11 .59 ATOM 1169 CB TYR 126 -13 .780 -19.452 45 .641 1 .00 11 .23 ATOM 1170 CG TYR 126 -15 .206 -19.523 45 .138 1 .00 12 .70 ATOM 1171 CDl TYR 126 -16 .275 -19.332 46 .009 1 .00 14 .14 ATOM 1172 CEI TYR 126 -17 .589 -19.395 45 .562 1 .00 17 .06 ATOM 1173 CD2 TYR 126 -15 .488 -19.784 43 .794 1 .00 13 .43 ATOM 1174 CE2 TYR 126 -16 .812 -19.856 43 .334 1 .00 15 .60 ATOM 1175 CZ TYR 126 -17 .858 -19.655 44 .228 1 .00 16, .20 ATOM 1176 OH TYR 126 -19 .173 -19.702 43 .806 1 .00 16, .29 ATOM 1177 HH TYR 126 -19, .739 -19.596 44 .573 1, .00 0, .00 ATOM 1178 C TYR 126 -13, .248 -21.776 44, .888 1. .00 13. .13 ATOM 1179 O TYR 126 -14 .131 -22.629 44 .815 1 .00 11, .60 ATOM 1180 N VAL 127 -12, .318 -21.618 43 .948 1. .00 13. .17 ATOM 1181 H VAL 127 -11, .653 -20.905 44, .039 1. .00 0. .00 ATOM 1182 CA VAL 127 -12. .272 -22.469 42. .764 1. .00 13. .56 ATOM 1183 CB VAL 127 -11. .275 -21.918 41. .712 1. .00 13. .44 ATOM 1184 CGI VAL 127 -11. .230 -22.826 40. .480 1. .00 14. .23 ATOM 1185 CG2 VAL 127 -11. .684 -20.512 41. .302 1. .00 10. .59 ATOM 1186 C VAL 127 -11. .941 -23.916 43. .115 1. .00 14. .89 ATOM 1187 O VAL 127 -12. .527 -24.843 42. .560 1. .00 16. .19 ATOM 1188 N ARG 128 -11. .022 -24.112 44. .052 1. .00 15. .44 ATOM 1189 H ARG 128 -10. .583 -23.335 44. .470 1. ,00 0. ,00 ATOM 1190 CA ARG 128 -10. ,640 -25.450 44. ,473 1. ,00 15. ,05 ATOM 1191 CB ARG 128 -9. .422 -25.365 45. .388 1. .00 19. .03 ATOM 1192 CG ARG 128 -8. ,887 -26.701 45. .848 1. ,00 24. ,57 ATOM 1193 CD ARG 128 -7. ,521 -26.528 46. .483 1. ,00 29. ,44 ATOM 1194 NE ARG 128 -7. ,551 -25.528 47. ,544 1. 00 32. ,78 ATOM 1195 HE ARG 128 -8. 319 -25.519 48. ,151 1. 00 0. 00 ATOM 1196 CZ ARG 128 -6. ,614 -24.606 47. .732 1. ,00 32. .41 ATOM 1197 NHI ARG 128 -5. ,557 -24.541 46. .929 1. 00 28. .66 ATOM 1198 HH11 ARG 128 -5. 461 -25.186 46. ,170 1. 00 0. .00 ATOM 1199 HHl2 ARG 128 -4. 855 -23.840 47. ,078 1. 00 0. 00 ATOM 1200 NH2 ARG 128 -6. 742 -23.746 48. 729 1. 00 34. 68 ATOM 1201 HH21 ARG 128 -7. 528 -23.786 49. 343 1. 00 0. 00 ATOM 1202 HH22 ARG 128 -6. 015 -23.087 48. ,879 1. 00 0. 00 ATOM 1203 C ARG 128 -11. 806 -26.118 45. 196 1. 00 16. 91 181 ATOM 1204 O ARG 128 ■ 12.185 -27.241 44.884 1.00 16,.06 ATOM 1205 N GLN 129 ■ 12 .386 -25 .399 46 .149 1. .00 17, .04 ATOM 1206 H GLN 129 • 12 .025 -24 .508 46 .347 1, .00 0, .00 ATOM 1207 CA GLN 129 ■ 13 .516 -25 .886 46 .924 1, .00 17. .75 ATOM 1208 CB GLN 129 13 .922 -24, .813 47 .941 1, .00 24. .23 ATOM 1209 CG GLN 129 ■ 15. .184 -25, .116 48 .735 1. .00 35. .10 ATOM 1210 CD GLN 129 15. .850 -23, .854 49, .274 1. .00 43. .22 ATOM 1211 OEI GLN 129 16. .998 -23, .547 48, .934 1. .00 45. .61 ATOM 1212 NE2 GLN 129 15, .134 -23, .120 50, .124 1. .00 44. .34 ATOM 1213 HE21 GLN 129 14. .232 -23. .402 50. .371 1. ,00 0. .00 ATOM 1214 HE22 GLN 129 15. .573 -22. .317 50. .462 1. ,00 0. .00 ATOM 1215 C GLN 129 14. .707 -26. .215 46. .024 1. 00 14. .94 ATOM 1216 O GLN 129 15. .374 -27. .227 46. .202 1. 00 17. ,51 ATOM 1217 N THR 130 14. .967 -25. .359 45. .051 1. 00 12. ,68 ATOM 1218 H THR 130 14. .422 -24. .549 44. .954 1. 00 0. .00 ATOM 1219 CA THR 130 16. .094 -25. .547 44. .151 1. ,00 14. ,74 ATOM 1220 CB THR 130 16. .473 -24. .207 43. .491 1. ,00 16. ,50 ATOM 1221 OG1 THR 130 16. .680 -23. .223 44. .513 1. 00 15. .75 ATOM 1222 HG1 THR 130 17. .352 -23. .533 45. .132 1. 00 0. ,00 ATOM 1223 CG2 THR 130 17. .748 -24. .347 42. .666 1. 00 16. .34 ATOM 1224 C THR 130 15. .909 -26. .599 43. .063 1. 00 14. .23 ATOM 1225 O THR 130 16. .746 -27. .481 42. .894 1. ,00 15. .79 ATOM 1226 N TRP 131 14. .812 -26. .507 42. .329 1. ,00 13. .82 ATOM 1227 H TRP 131 14. .156 -25. .807 42. .510 1. ,00 0. .00 ATOM 1228 CA TRP 131 14. .551 -27. .429 41. .235 1. ,00 12. .96 ATOM 1229 CB TRP 131 13. .790 -26. .702 40. .128 1. ,00 13. .33 ATOM 1230 CG TRP 131 14. .586 -25. .559 39. .589 1. ,00 15. .21 ATOM 1231 CD2 TRP 131 15. .383 -25. .551 38. .398 1. .00 16. .02 ATOM 1232 CE2 TRP 131 16. .037 -24. .299 38. .342 1. .00 16, .98 ATOM 1233 CE3 TRP 131 15. .610 -26. .483 37. .375 1. .00 19, .06 ATOM 1234 CDl TRP 131 14. .773 -24. .339 40, .183 1. .00 16, .24 ATOM 1235 NEI TRP 131 15, .650 -23, .583 39. .444 1. .00 19 .42 ATOM 1236 HEI TRP 131 15, .968 -22, .696 39. .715 1, .00 0 .00 ATOM 1237 CZ2 TRP 131 16, .907 -23, .952 37 .301 1, .00 17 .20 ATOM 1238 CZ3 TRP 131 16, .477 -26, .137 36 .340 1, .00 19 .80 ATOM 1239 CH2 TRP 131 17 .114 -24 .880 36 .312 1 .00 18 .84 ATOM 1240 C TRP 131 13 .852 -28 .712 41 .629 1 .00 13 .29 ATOM 1241 O TRP 131 ■ 13. .892 -29, .692 40 .883 1, .00 12 .51 ATOM 1242 N LYS 132 13, .245 -28 .710 42 .813 1 .00 15 .49 182 - WO97/08300 PPCCIT/US96/13918 ATOM 1243 H LYS 132 -13.261 -27.900 43 .361 1 .00 0.00 ATOM 1244 CA LYS 132 -12.531 -29.872 43 .344 1 .00 18.55 ATOM 1245 CB LYS 132 -13.467 -31.090 43 .451 .00 17.43 ATOM 1246 CG LYS 132 -14.374 -31.116 44 .670 1 .00 19.61 ATOM 1247 CD LYS 132 -15.519 -30.137 44 .557 1 .00 21.76 ATOM 1248 CE LYS 132 -16.482 -30.273 45 .727 X .00 20.70 ATOM 1249 NZ LYS 132 -15.842 -29.954 47 .029 1 .00 23.81 ATOM 1250 HZ1 LYS 132 -15.472 -28.987 47 .004 .00 0.00 ATOM 1251 HZ2 LYS 132 -15.060 -30.615 47 .195 1 .00 0.00 ATOM 1252 HZ3 LYS 132 -16.535 -30.033 47 .800 X .00 0.00 ATOM 1253 C LYS 132 -11.310 -30.220 42 .496 1 .00 20.84 ATOM 1254 O LYS 132 -10.973 -31.392 42 .325 X .00 21.28 ATOM 1255 N LEU 133 -10.635 -29.195 41 .991 1X .00 22.03 ATOM 1256 H LEU 133 -10.915 -28.292 42 .231 .00 0.00 ATOM 1257 CA LEU 133 -9.459 -29.383 41 .149 X .00 23.93 ATOM 1258 CB LEU 133 -9.539 -28.464 39, .930 1 .00 22.92 ATOM 1259 CG LEU 133 -10.724 -28.710 38, .993 1 .00 21.45 ATOM 1260 CDl LEU 133 -10.779 -27.638 37, .930 1, .00 16.33 ATOM 1261 CD2 LEU 133 -10.608 -30.091 38. .365 1. .00 18.90 ATOM 1262 C LEU 133 -8.158 -29.131 41. .897 .00 25.56 ATOM 1263 O LEU 133 -8.137 -28.456 42. .921 1. .00 24.95 ATOM 1264 N GLU 134 -7.068 -29.675 41. .372 1. .00 30.15 ATOM 1265 H GLU 134 -7.120 -30.201 40. .549 1. .00 0.00 ATOM 1266 CA GLU 134 -5.758 -29.501 41. .983 1. ,00 35.39 ATOM 1267 CB GLU 134 -5.418 -30.687 42. .899 "1 ,00 40.72 ATOM 1268 CG GLU 134 -6.137 -30.693 44. .262 1. ,00 47.74 ATOM 1269 CD GLU 134 -5.572 -29.689 45. .276 1. 00 52.02 ATOM 1270 OEI GLU 134 -6.063 -29.681 46. 427 X_ ,00 52.20 ATOM 1271 OE2 GLU 134 -4.643 -28.916 44. 940 1. 00 54.41 ATOM 1272 C GLU 134 -4.694 -29.361 40. 904 1. 00 35.44 ATOM 1273 O GLU 134 -4.968 -29.569 39. 719 1. 00 35.63 ATOM 1274 N GLY 135 -3.494 -28.965 41. 316 1. 00 34.91 ATOM 1275 H GLY 135 -3.374 -28.756 42. 265 X. 00 0.00 ATOM 1276 CA GLY 135 -2.392 -28.807 40. 382 X 00 34.73 ATOM 1277 C GLY 135 -2.686 -27.917 39. 189 1. 00 34.52 ATOM 1278 O GLY 135 -3.416 -26.927 39. 297 1. 00 34.03 ATOM 1279 N GLU 136 -2.149 -28.302 38. 035 1. 00 34.50 ATOM 1280 H GLU 136 -1.609 -29.117 38. 031 1. 00 0.00 ATOM 1281 CA GLU 136 -2.324 -27.544 36. 799 1. 00 34.12 - 183 ATOM 1282 CB GLU 136 •1.543 -28.203 35.658 1.00 38.90 ATOM 1283 CG GLU 136 -1 .203 -27 .256 34 .511 1 .00 43 .32 ATOM 1284 CD GLU 136 ■ 0 .456 -26 .009 34 .980 1 .00 46 .70 ATOM 1285 OEI GLU 136 0 .595 -26 .145 35 .650 1 .00 48 .76 ATOM 1286 OE2 GLU 136 0 .930 -24 .889 34 .686 1 .00 46 .11 ATOM 1287 C GLU 136 3 .787 -27 .359 36 .399 1 00 31 34 ATOM 1288 O GLU 136 4 .148 -26 .351 35 .787 1 00 28 55 ATOM 1289 N ALA 137 4 625 -28 .329 36 .756 1 00 29 45 ATOM 1290 H ALA 137 4 285 -29 .104 37 .238 1 00 0 00 ATOM 1291 CA ALA 137 6 048 -28 .258 36 440 1 00 26 31 ATOM 1292 CB ALA 137 6 740 -29 .548 36 .842 1 00 26 49 ATOM 1293 C ALA 137 6 652 -27 .072 37 .181 1 00 22 29 ATOM 1294 O ALA 137 7 442 -26 .317 36 .622 1 00 22 04 ATOM 1295 N LEU 138 6 241 -26 894 38 432 1 00 20 21 ATOM 1296 H LEU 138 5 577 -27 514 38 813 1 00 0 00 ATOM 1297 CA LEU 138 6 725 -25 792 39 249 1 00 20 63 ATOM 1298 CB LEU 138 6 223 -25 941 40 686 1 00 17 38 ATOM 1299 CG LEU 138 6 519 -24 807 41 670 1 00 17 34 ATOM 1300 CDl LEU 138 8 013 -24 543 41 738 1 00 16 71 ATOM 1301 CD2 LEU 138 5 986 -25 170 43 040 1 00 15 22 ATOM 1302 C LEU 138 6 243 -24 469 38 659 1 00 21 98 ATOM 1303 O LEU 138 7 027 -23 528 38 513 1 00 21 24 ATOM 1304 N GLU 139 4 965 -24 415 38 288 1 00 23 87 ATOM 1305 H GLU 139 4 423 -25 227 38 393 1 00 0 00 ATOM 1306 CA GLU 139 4 372 -23 209 37 713 1 00 25 73 ATOM 1307 CB GLU 139 2 914 -23 454 37 334 1 00 28 07 ATOM 1308 CG GLU 139 2 052 -23 944 38 479 1 00 33 00 ATOM 1309 CD GLU 139 2 216 -23 110 39 733 1 00 37 06 ATOM 1310 OEI GLU 139 2 506 -23 697 40 796 1 00 41 81 ATOM 1311 OE2 GLU 139 2 062 -21 872 39 662 1 00 39 33 ATOM 1312 C GLU 139 5 138 -22 737 36 487 1 00 26 80 ATOM 1313 O GLU 139 5 462 -21 555 36 362 1 00 25 34 ATOM 1314 N GLN 140 5 434 -23 669 35 588 1 00 29 70 ATOM 1315 H GLN 140 5 140 -24 594 35 755 1 00 0 00 ATOM 1316 CA GLN 140 6 172 -23 361 34 369 1 00 31 92 ATOM 1317 CB GLN 140 6 270 -24 605 33 479 1 00 38 06 ATOM 1318 CG GLN 140 4 935 -25 155 32 994 1 00 45 35 ATOM 1319 CD GLN 140 5 088 -26 459 32 218 1 00 52 .31 ATOM 1320 OEI GLN 140 4 434 -27 461 32 523 1 00 54 .99 184 ATOM 1321 NE2 GLN 140 -5.958 -26.453 31.212 1.00 53.53 ATOM 1322 HE21 GLN 140 -6 .453 -25 .632 31 .016 1 .00 0 .00 ATOM 1323 HE22 GLN 140 -6 .057 -27 .290 30 .723 1 .00 0 .00 ATOM 1324 C GLN 140 -7 .579 -22 .853 34 .690 1 .00 30 .17 ATOM 1325 O GLN 140 -8 .068 -21 .914 34 .058 1 .00 29 .36 ATOM 1326 N ALA 141 -8 .218 -23 .472 35 .680 1 .00 28 .89 ATOM 1327 H ALA 141 -7 .777 -24 .201 36 .166 1 .00 0 .00 ATOM 1328 CA ALA 141 -9 .572 -23 .099 36 .084 1 .00 27 .36 ATOM 1329 CB ALA 141 -10 .154 -24 .143 37 .028 1 .00 25 .84 ATOM 1330 C ALA 141 -9 .665 -21. .711 36 .709 1, .00 26, .93 ATOM 1331 O ALA 141 -10 .584 -20 .963 36 .396 1, .00 25. .78 ATOM 1332 N ILE 142 -8 .725 -21, .358 37 .581 1. .00 27, .95 ATOM 1333 H ILE 142 -8 .010 -22, .001 37 .791 1. .00 0, .00 ATOM 1334 CA ILE 142 -8 .771 -20, .043 38, .209 1. .00 30. .29 ATOM 1335 CB ILE 142 -7 .703 -19, .856 39, .321 1. .00 32. .16 ATOM 1336 CG2 ILE 142 -7, .763 -21. .010 40, .310 1. .00 31. .60 ATOM 1337 CGI ILE 142 -6, .303 -19. .742 38, .722 1. .00 38. .22 ATOM 1338 CD ILE 142 -5, .205 -19. .539 39. .750 1. .00 41. .97 ATOM 1339 C ILE 142 -8, .628 -18. .955 37. .153 1. .00 30. .56 ATOM 1340 O ILE 142 -9. .256 -17. .911 37. .253 1. ,00 32. .19 ATOM 1341 N ILE 143 -7. .847 -19. .223 36. .111 1. ,00 31. .49 ATOM 1342 H ILE 143 -7. .382 -20. .088 36. .069 1. ,00 0. .00 ATOM 1343 CA ILE 143 -7. .656 -18. .246 35. .044 1. .00 32. .26 ATOM 1344 CB ILE 143 -6. .618 -18. .736 34. .000 1. ,00 34. ,28 ATOM 1345 CG2 ILE 143 -6. .480 -17. .728 32. .868 1. ,00 34. .40 ATOM 1346 CGI ILE 143 -5. .254 -18. .975 34. .661 1. ,00 36. ,63 ATOM 1347 CD ILE 143 -4. .561 -17. .724 35. .179 1. ,00 39. ,46 ATOM 1348 C ILE 143 -8. .984 -17. .951 34. .342 1. ,00 30. ,93 ATOM 1349 O ILE 143 -9. .295 -16. ,799 34. .052 1. ,00 30. ,08 ATOM 1350 N SER 144 -9. .776 -18. ,989 34. .100 1. 00 30. ,90 ATOM 1351 H SER 144 -9. ,524 -19. ,901 34. .367 1. 00 0. ,00 ATOM 1352 CA SER 144 -11. .056 -18. ,826 33. .427 1. 00 33. ,20 ATOM 1353 CB SER 144 -11. ,434 -20. ,123 32. .704 1. 00 35. ,30 ATOM 1354 OG SER 144 -11. ,353 -21. ,242 33. .569 1. ,00 40. ,36 ATOM 1355 HG SER 144 -11. ,540 -22. ,026 33. .050 1. 00 0. ,00 ATOM 1356 C SER 144 -12. ,197 -18. ,375 34. ,343 1. 00 34. ,38 ATOM 1357 O SER 144 -13. ,103 -17. ,653 33. ,920 1. 00 34. ,88 ATOM 1358 N GLN 145 -12. 154 -18. 803 35. 598 1. 00 34. 59 ATOM 1359 H GLN 145 -11. 420 -19. 393 35. 855 1. 00 0. 00 185 ATOM 1360 CA GLN 145 •13.189 -18.444 36.557 1.00 33.70 ATOM 1361 CB GLN 145 •13 .383 -19 .572 37 .571 1 .00 33 .70 ATOM 1362 CG GLN 145 • 13 .934 -20 .859 36 .978 1 .00 35 .74 ATOM 1363 CD GLN 145 ■ 15 .369 -20 .728 36 .503 1 .00 37 .42 ATOM 1364 OEI GLN 145 15 .699 -21 .098 35 .374 1 .00 39, .84 ATOM 1365 NE2 GLN 145 16, .238 -20 .227 37 .374 1 .00 38, .81 ATOM 1366 HE21 GLN 145 15, .932 -19. .964 38, .263 1, .00 0, .00 ATOM 1367 HE22 GLN 145 17, .171 -20, .156 37, .086 1, .00 0, .00 ATOM 1368 C GLN 145 12. .948 -17, .124 37. .292 1, .00 32. .75 ATOM 1369 O GLN 145 13. .905 -16 .450 37, .668 1, .00 33, .82 ATOM 1370 N ALA 146 11. .687 -16, .735 37, .463 1, .00 32, .02 ATOM 1371 H ALA 146 10. .979 -17, .277 37, .078 1, .00 0, .00 ATOM 1372 CA ALA 146 11. .343 -15, .500 38. .179 1, .00 34. .00 ATOM 1373 CB ALA 146 -9. .858 -15, .167 38. .003 1, .00 32. .05 ATOM 1374 C ALA 146 12. .199 -14. .278 37. .841 1. .00 35. .44 ATOM 1375 O ALA 146 12. .710 -13. .607 38. .742 1. .00 36. .48 ATOM 1376 N PRO 147 12. .371 -13. .970 36. .543 1. .00 36. .46 ATOM 1377 CD PRO 147 11. .711 -14. .566 35. .365 1. .00 36. .36 ATOM 1378 CA PRO 147 13. .178 -12. .812 36. .145 1. .00 35. .69 ATOM 1379 CB PRO 147 13. .108 -12. .872 34. .621 1. .00 37. .74 ATOM 1380 CG PRO 147 11. .741 -13. .432 34. .380 1. .00 37. .31 ATOM 1381 C PRO 147 14. .627 -12. .823 36. .632 1. .00 35. .01 ATOM 1382 O PRO 147 15. .170 -11. .781 37. .008 1. .00 34. .92 ATOM 1383 N GLN 148 15. .232 -14. .005 36. .662 1. .00 34. .44 ATOM 1384 H GLN 148 14. .719 -14. .803 36. .413 1. .00 0, .00 ATOM 1385 CA GLN 148 16. .627 -14. .155 37. .072 1. .00 36. .11 ATOM 1386 CB GLN 148 17. .194 -15. .465 36. .507 1. .00 40. .50 ATOM 1387 CG GLN 148 17. .002 -15. .634 34. .996 1. .00 43. .75 ATOM 1388 CD GLN 148 17. .614 -14. .499 34. .198 1. .00 47. .86 ATOM 1389 OEI GLN 148 16. .915 -13. .779 33. .482 1. .00 49. .23 ATOM 1390 NE2 GLN 148 18. .925 -14. .330 34. .319 1. .00 49. .03 ATOM 1391 HE21 GLN 148 19. .440 -14. .926 34. .897 1. .00 0. .00 ATOM 1392 HE22 GLN 148 19. .303 -13. .595 33. .801 1. .00 0. .00 ATOM 1393 C GLN 148 16. .892 -14. .083 38. .581 1, .00 34, .17 ATOM 1394 O GLN 148 17. .963 -13. .645 39. .018 1, .00 34, .12 ATOM 1395 N VAL 149 15. .924 -14. .518 39. .378 1, .00 30, .55 ATOM 1396 H VAL 149 15. .084 -14. .843 38. .983 1, .00 0 .00 ATOM 1397 CA VAL 149 16. .084 -14 .506 40, .824 1 .00 27 .34 ATOM 1398 CB VAL 149 15. .730 -15 .874 41, .424 1 .00 26 .70 186 WO97/08300 ] PPCCIT/US96/13918 ATOM 1399 CGI VAL 149 -16.628 -16 .942 40 .829 1 .00 27 .05 ATOM 1400 CG2 VAL 149 -14.271 -16 .202 41 .164 1 .00 25 .34 ATOM 1401 C VAL 149 -15.258 -13 .418 41 .506 1 .00 27 .10 ATOM 1402 O VAL 149 -15.220 -13 .341 42 .732 1 .00 26 .82 ATOM 1403 N GLU 150 -14.622 -12 .565 40 .708 1 .00 27 .77 ATOM 1404 H GLU 150 -14.683 -12 .695 39 .739 1 .00 0 .00 ATOM 1405 CA GLU 150 -13.795 -11 .477 41 .229 1 .00 28 .17 ATOM 1406 CB GLU 150 -13.249 -10 .616 40 .078 1 .00 32 .48 ATOM 1407 CG GLU 150 -11.848 -10 .013 40 .336 1 .00 42 .10 ATOM 1408 CD GLU 150 -11.772 -8 .484 40 .177 1 .00 43 .81 ATOM 1409 OEI GLU 150 -12.480 -7 .918 39 .313 1 .00 41 .18 ATOM 1410 OE2 GLU 150 -10.981 -7 .850 40 .915 1 .00 45 .59 ATOM 1411 C GLU 150 -14.585 -10 .600 42 .201 1, .00 24 .18 ATOM 1412 O GLU 150 -14.179 -10, .415 43, .344 1, .00 22, .05 ATOM 1413 N LYS 151 -15.721 -10. .083 41, .749 1. .00 21, .94 ATOM 1414 H LYS 151 -15.998 -10. .281 40, .831 1, .00 0 .00 ATOM 1415 CA LYS 151 -16.552 -9. .225 42, .584 1, .00 22, .44 ATOM 1416 CB LYS 151 -17.721 -8, .646 41. .784 1. .00 25. .52 ATOM 1417 CG LYS 151 -17.297 -7. .656 40. .698 1. .00 33. .26 ATOM 1418 CD LYS 151 -16.749 -6. .357 41. .293 1. .00 36. .27 ATOM 1419 CE LYS 151 -15.910 -5. .572 40. .282 1. .00 36. .61 ATOM 1420 NZ LYS 151 -14.684 -6. .337 39. .897 1. .00 38, .17 ATOM 1421 HZ1 LYS 151 -14.965 -7. .218 39. .418 1. .00 0. .00 ATOM 1422 HZ2 LYS 151 -14.135 -6. .581 40. .747 1. .00 0. .00 ATOM 1423 HZ3 LYS 151 -14.080 -5. .784 39. ,256 1. ,00 0. .00 ATOM 1424 C LYS 151 -17.064 -9. ,945 43. ,820 1. 00 20. .52 ATOM 1425 O LYS 151 -16.935 -9. ,430 44. ,925 1. ,00 21. .76 ATOM 1426 N LEU 152 -17.620 -11. .139 43. ,633 1. ,00 18. .37 ATOM 1427 H LEU 152 -17.693 -11. ,501 42. ,726 1. ,00 0. .00 ATOM 1428 CA LEU 152 -18.147 -11. ,936 44. 741 1. 00 17. .20 ATOM 1429 CB LEU 152 -18.532 -13. 336 44. 249 1. 00 18. ,20 ATOM 1430 CG LEU 152 -18.958 -14. ,382 45. ,287 1. 00 23. .16 ATOM 1431 CDl LEU 152 -20.324 -14. 025 45. 859 1. 00 21. .89 ATOM 1432 CD2 LEU 152 -18.993 -15. 771 44. 648 1. 00 22. ,05 ATOM 1433 C LEU 152 -17.113 -12. 059 45. 856 1. 00 15. ,24 ATOM 1434 O LEU 152 -17.408 -11. 798 47. 023 1. 00 14. ,43 ATOM 1435 N ILE 153 -15.896 -12. 436 45. 482 1. 00 12. ,34 ATOM 1436 H ILE 153 -15.725 -12. 621 44. 531 1. 00 0. ,00 ATOM 1437 CA ILE 153 -14.817 -12. 595 46. 441 1. 00 13. ,12 187 ATOM 1438 CB ILE 153 ■ 13.580 -13.261 45.792 1.00 12.78 ATOM 1439 CG2 ILE 153 •12 .498 -13 .469 46 .813 1 .00 10 .18 ATOM 1440 CGI ILE 153 ■ 13 .962 -14 .611 45 .182 1 .00 13 .04 ATOM 1441 CD ILE 153 ■ 14 .603 -15 .557 46 .135 1 .00 12 .82 ATOM 1442 C ILE 153 ■ 14 .418 -11 .265 47 .081 1, .00 12, .71 ATOM 1443 O ILE 153 ■ 14 .266 -11 .189 48 .297 1, .00 14, .81 ATOM 1444 N ALA 154 14, .299 -10 .212 46 .276 1, .00 11, .61 ATOM 1445 H ALA 154 ■ 14 .478 -10 .311 45 .317 1, .00 0, .00 ATOM 1446 CA ALA 154 13 .914 -8 .897 46 .789 1. .00 11. .24 ATOM 1447 CB ALA 154 13 .702 -7 .932 45, .643 1. .00 8, .04 ATOM 1448 C ALA 154 14, .918 -8, .308 47, .788 1. .00 11. .11 ATOM 1449 O ALA 154 14, .547 -7 .850 48 .872 1. .00 8. .33 ATOM 1450 N THR 155 16. .192 -8, .345 47, .432 1. .00 11. .93 ATOM 1451 H THR 155 16, .462 -8, .779 46. .599 1. .00 0. .00 ATOM 1452 CA THR 155 17. .232 -7, .793 48. .285 1. .00 16. .85 ATOM 1453 CB THR 155 18. .566 -7, .654 47. .509 1. .00 19. .45 ATOM 1454 OG1 THR 155 19. .034 -8, .949 47. .108 1. .00 23. .26 ATOM 1455 HG1 THR 155 19. .810 -8. .856 46. .545 1. .00 0. .00 ATOM 1456 CG2 THR 155 18. .366 -6. .795 46. .261 1. .00 19. .86 ATOM 1457 C THR 155 17. .450 -8. .583 49. .578 1. .00 17. .70 ATOM 1458 O THR 155 18. .015 -8. .059 50. .545 1. .00 16. .86 ATOM 1459 N THR 156 16. .945 -9. .812 49. .622 1. .00 17. .24 ATOM 1460 H THR 156 16. .483 -10. .203 48. .844 1. .00 0. .00 ATOM 1461 CA THR 156 17. .110 -10. .641 50. .805 1. .00 16. .73 ATOM 1462 CB THR 156 17. .781 -11. .991 50. .436 1. ,00 18. .95 ATOM 1463 OG1 THR 156 18. .349 -12. .579 51. .610 1. .00 28, .41 ATOM 1464 HG1 THR 156 17. .628 -12. .777 52. .224 1. .00 0. .00 ATOM 1465 CG2 THR 156 16. .782 -12. .958 49. .825 1. .00 16, .01 ATOM 1466 C THR 156 15. .818 -10. .864 51. .607 1. .00 15. .60 ATOM 1467 O THR 156 15. .853 -11. .468 52. .681 1. .00 14. .74 ATOM 1468 N ALA 157 14. .712 -10, .291 51. .134 1. .00 11, .48 ATOM 1469 H ALA 157 14. .745 -9, .796 50. .286 1. .00 0, .00 ATOM 1470 CA ALA 157 13. .404 -10, .426 51. .780 1. .00 9, .54 ATOM 1471 CB ALA 157 12. .342 -9. .713 50. .961 1. .00 5, .51 ATOM 1472 C ALA 157 13, .312 -9, .981 53, .239 1. .00 8 .69 ATOM 1473 O ALA 157 12. .471 -10, .476 53, .987 1. .00 10 .31 ATOM 1474 N HIS 158 14, .150 -9, .037 53. .648 1. .00 10 .04 ATOM 1475 H HIS 158 14, .761 -8, .654 52, .995 1. .00 0 .00 ATOM 1476 CA HIS 158 14, .119 -8 .550 55, .029 1, .00 9 .74 - 188 ATOM 1477 CB HIS 158 -15.043 -7.335 55.185 1.00 8.60 ATOM 1478 CG HIS 158 ■16 .494 -7 .631 54 .940 1 .00 10 .37 ATOM 1479 CD2 HIS 158 ■17 .508 -7 .875 55 .801 1 .00 6 .93 ATOM 1480 NDI HIS 158 ■17 .045 -7 .685 53 .677 1 .00 9 .52 ATOM 1481 HD1 HIS 158 ■ 16 .621 -7 .506 52 .814 1 .00 0 .00 ATOM 1482 CEI HIS 158 ■18 .336 -7 .952 53 .771 1 .00 8 .21 ATOM 1483 NE2 HIS 158 •18 .641 -8 .073 55 .052 1 .00 7 .61 ATOM 1484 HE2 HIS 158 •19 .542 -8 .310 55 .393 1 .00 0 .00 ATOM 1485 C HIS 158 •14 .463 -9 .621 56 .070 1 .00 11 .48 ATOM 1486 O HIS 158 •13 .948 -9 .602 57 .189 1. .00 12, .15 ATOM 1487 N GLU 159 ■ 15 .292 -10 .580 55 .673 1. .00 12, .68 ATOM 1488 H GLU 159 •15 .604 -10 .612 54, .744 1. .00 0, .00 ATOM 1489 CA GLU 159 •15 .734 -11, .657 56 .554 1. .00 16, .34 ATOM 1490 CB GLU 159 ■ 16, .826 -12. .477 55, .870 1. .00 19, .60 ATOM 1491 CG GLU 159 ■ 18. .109 -11. .703 55, .586 1. .00 22, .36 ATOM 1492 CD GLU 159 19, .133 -12, .516 54, .811 1, .00 25, .59 ATOM 1493 OEI GLU 159 ■ 18, .923 -13, .733 54, .614 1. .00 27, .02 ATOM 1494 OE2 GLU 159 20, .157 -11, .933 54, .396 1. .00 30, .21 ATOM 1495 C GLU 159 14. .648 -12. .601 57. .041 1. .00 17. .61 ATOM 1496 O GLU 159 14. .881 -13. .388 57. .958 1. .00 19. .13 ATOM 1497 N ARG 160 13. .480 -12. .552 56. .413 1. .00 18. .47 ATOM 1498 H ARG 160 13. .336 -11. .921 55. .678 1. .00 0. .00 ATOM 1499 CA ARG 160 12. .380 -13. .428 56. .799 1. .00 20. .02 ATOM 1500 CB ARG 160 11. .637 -13. .926 55. .555 1. .00 23. .13 ATOM 1501 CG ARG 160 12. .539 -14. .448 54. .449 1. .00 29. .15 ATOM 1502 CD ARG 160 11. .737 -15. .149 53. .364 1. .00 34. .59 ATOM 1503 NE ARG 160 11. .157 -16. .394 53. .856 1. .00 37. .25 ATOM 1504 HE ARG 160 10. .278 -16. .359 54. .280 1. .00 0. ,00 ATOM 1505 CZ ARG 160 11. .735 -17. .585 53. ,744 1. ,00 39. .25 ATOM 1506 NHI ARG 160 12. ,907 -17. ,705 53. .141 1. ,00 40. .34 ATOM 1507 HH11 ARG 160 13. ,373 -16. ,903 52. .774 1. ,00 0. .00 ATOM 1508 HH12 ARG 160 13. .329 -18. .607 53. .067 1. ,00 0. ,00 ATOM 1509 NH2 ARG 160 11. .177 -18. ,647 54. ,308 1. ,00 43. .48 ATOM 1510 HH21 ARG 160 10. .326 -18. ,543 54. .826 1. ,00 0. .00 ATOM 1511 HH22 ARG 160 11. .612 -19. ,546 54. .229 1. ,00 0. ,00 ATOM 1512 C ARG 160 11. .407 -12. ,697 57. .711 1. ,00 18. .50 ATOM 1513 O ARG 160 10. ,500 -13. ,298 58. .284 1. ,00 17. .09 ATOM 1514 N SEM 161 11. 610 -11. 391 57. 841 1. 00 18. .54 ATOM 1515 H SEM 161 12. ,394 -10. 969 57. 430 1. 00 0. 00 - 189 ATOM 1516 CA SEM 161 10.746 -10.550 58.651 1.00 16.58 ATOM 1517 CB SEM 161 10 .814 -9 .109 58 .146 1 .00 18 .99 ATOM 1518 CG SEM 161 10 .507 -8 .961 56 .669 1 .00 21 .84 ATOM 1519 A SEM 161 -8 .831 -9 .824 56 .217 1 .00 39 .69 ATOM 1520 CE SEM 161 -7 .469 -8 .584 56 .687 1 00 28 .84 ATOM 1521 C SEM 161 11 .119 -10 .620 60 .125 1 00 15 .27 ATOM 1522 O SEM 161 12 .299 -10 641 60 .470 1 00 13 98 ATOM 1523 N PRO 162 10 111 -10 624 61 .018 1 00 15 37 ATOM 1524 CD PRO 162 -8 671 -10 585 60 .713 1 00 16 .16 ATOM 1525 CA PRO 162 10 329 -10 689 62 467 1 00 15 23 ATOM 1526 CB PRO 162 -8 905 -10 745 63 027 1 00 15 71 ATOM 1527 CG PRO 162 -8 091 -10 035 61 988 1 00 15 90 ATOM 1528 C PRO 162 11 121 -9 514 63 039 1 00 16 06 ATOM 1529 O PRO 162 11 734 -9 640 64 096 1 00 15 21 ATOM 1530 N TRP 163 11 106 -8 375 62 348 1 00 14 60 ATOM 1531 H TRP 163 10 610 -8 340 61 509 1 00 0 00 ATOM 1532 CA TRP 163 11 833 -7 199 62 813 1 00 10 63 ATOM 1533 CB TRP 163 11 211 - ' 5 906 62 271 1 00 9 82 ATOM 1534 CG TRP 163 10 807 -5 919 60 808 1 00 8 73 ATOM 1535 CD2 TRP 163 11 667 -5 754 59 667 1 00 4 19 ATOM 1536 CE2 TRP 163 10 843 -5 739 58 523 1 00 5 73 ATOM 1537 CE3 TRP 163 13 049 -5 616 59 503 1 00 7 68 ATOM 1538 CDl TRP 163 -9 538 -6 002 60 317 1 00 7 09 ATOM 1539 NEI TRP 163 -9 550 -5 890 58 946 1 00 7 80 ATOM 1540 HEI TRP 163 -8 747 -5 895 58 372 1 00 0 00 ATOM 1541 CZ2 TRP 163 11 356 -5 586 57 236 1 00 3 92 ATOM 1542 CZ3 TRP 163 13 559 -5 465 58 222 1 00 6 08 ATOM 1543 CH2 TRP 163 12 713 -5 453 57 106 1 00 6 60 ATOM 1544 C TRP 163 13 333 -7 236 62 546 1 00 10 74 ATOM 1545 O TRP 163 14 068 -6 410 63 069 1 00 11 52 ATOM 1546 N TYR 164 13 798 -8 207 61 764 1 00 12 03 ATOM 1547 H TYR 164 13 212 -8 893 61 .386 1 00 0 00 ATOM 1548 CA TYR 164 15 225 -8 321 61 .471 1 00 11 .28 ATOM 1549 CB TYR 164 15 458 -8 736 60 .021 1 00 10 .37 ATOM 1550 CG TYR 164 16 922 -8 793 59 .634 1 00 8 .61 ATOM 1551 CDl TYR 164 17 645 -7 631 59 .372 1 00 6 .05 ATOM 1552 CEI TYR 164 18 986 -7 687 59 .010 1 00 5 .19 ATOM 1553 CD2 TYR 164 17 583 -10 013 59 .523 1 00 8 .20 ATOM 1554 CE2 TYR 164 18 919 -10 074 59 .160 1 00 9 .10 - 190 ATOM 1555 CZ TYR 164 -19.609 -8.913 58.904 1.00 6.35 ATOM 1556 OH TYR 164 -20.920 -8 .989 58 .504 1 .00 15 .30 ATOM 1557 HH TYR 164 -21.280 -8 .115 58 .337 1 .00 0 .00 ATOM 1558 C TYR 164 -15.910 -9 .319 62 .406 1 .00 14 .40 ATOM 1559 O TYR 164 -15.454 -10 .456 62 .564 1 .00 11 .39 ATOM 1560 N HIS 165 -17.014 -8 .887 63 .016 1 .00 15 .72 ATOM 1561 H HIS 165 -17.347 -7 .989 62 .813 1 .00 0 .00 ATOM 1562 CA HIS 165 -17.769 -9 .724 63 .945 1 .00 15 .88 ATOM 1563 CB HIS 165 -17.824 -9 .061 65 .328 1 .00 14 .50 ATOM 1564 CG HIS 165 -16.476 -8 .812 65 .939 1 .00 13 .27 ATOM 1565 CD2 HIS 165 -15.393 -8 .142 65 .472 1 .00 13 .68 ATOM 1566 NDI HIS 165 -16.117 -9 .296 67 .181 1. .00 13 .92 ATOM 1567 HD1 HIS 165 -16.644 -9 .884 67 .761 1. .00 0 .00 ATOM 1568 CEI HIS 165 -14.872 -8 .937 67 .448 1. .00 9 .42 ATOM 1569 NE2 HIS 165 -14.413 -8 .240 66 .431 1, .00 9, .18 ATOM 1570 HE2 HIS 165 -13.496 -7 .895 66, .349 1. .00 0, .00 ATOM 1571 C HIS 165 -19.170 -9, .952 63, .382 1. .00 18. .23 ATOM 1572 O HIS 165 -19.962 -9, .017 63. .273 1. .00 19. .85 ATOM 1573 N SER 166 -19.451 -11, .201 63, .014 1. .00 20, .28 ATOM 1574 H SER 166 -18.770 -11, .903 63. .124 1. .00 0, .00 ATOM 1575 CA SER 166 -20.723 -11. .619 62. .420 1. .00 21. .65 ATOM 1576 CB SER 166 -20.708 -13. .130 62. .191 1. ,00 20. .69 ATOM 1577 OG SER 166 -19.443 -13. .555 61. .714 1. ,00 32. .02 ATOM 1578 HG SER 166 -19.263 -13. .122 60. .873 1. ,00 0. .00 ATOM 1579 C SER 166 -21.985 -11. .260 63. .197 1. ,00 22. .80 ATOM 1580 O SER 166 -23.005 -10. .924 62. .597 1. 00 23. .80 ATOM 1581 N SER 167 -21.944 -11. .424 64. ,515 1. 00 24. .13 ATOM 1582 H SER 167 -21.139 -11. ,759 64. .954 1. 00 0. .00 ATOM 1583 CA SER 167 -23.089 -11. .117 65. .364 1. 00 26. .47 ATOM 1584 CB SER 167 -23.831 -12. .391 65. ,775 1. 00 26. .47 ATOM 1585 OG SER 167 -24.476 -12. ,991 64. ,664 1. 00 33. .37 ATOM 1586 HG SER 167 -25.120 -13. ,631 64. ,981 1. 00 0. .00 ATOM 1587 C SER 167 -22.598 -10. ,401 66. 599 1. 00 26. .39 ATOM 1588 O SER 167 -22.019 -11. ,016 67. 492 1. 00 31. .31 ATOM 1589 N LEU 168 -22.788 -9. 089 66. 616 1. 00 25. .40 ATOM 1590 H LEU 168 -23.244 -8. 656 65. 859 1. 00 0. ,00 ATOM 1591 CA LEU 168 -22.378 -8. 254 67. 731 1. 00 21. ,28 ATOM 1592 CB LEU 168 -20.975 -7. 692 67. 514 1. 00 19. .91 ATOM 1593 CG LEU 168 -19.787 -8. 250 68. 290 1. 00 19. ,49 191 ATOM 1594 CDl LEU 168 ■ 18.688 -7.208 68.269 1.00 17.54 ATOM 1595 CD2 LEU 168 ■ 20 .165 -8 .547 69 .717 1 .00 20 .20 ATOM 1596 C LEU 168 • 23 .338 -7 .096 67 .799 1 .00 20 .38 ATOM 1597 0 LEU 168 ■ 23 .574 -6 .420 66 .797 1 .00 23 .06 ATOM 1598 N THR 169 •23 .935 -6 .897 68 .961 1 .00 18 .27 ATOM 1599 H THR 169 ■ 23 .739 -7 .470 69 .729 1 .00 0 .00 ATOM 1600 CA THR 169 ■ 24 .846 -5 .788 69 .138 1, .00 14, .78 ATOM 1601 CB THR 169 ■ 25. .898 -6 .091 70 .224 1, .00 17, .59 ATOM 1602 OG1 THR 169 • 25. .244 -6. .312 71, .482 1. .00 16, .95 ATOM 1603 HG1 THR 169 ■ 25. .904 -6, .666 72 .097 1. .00 0, .00 ATOM 1604 CG2 THR 169 ■ 26. .709 -7, .327 69, .854 1. .00 18. .12 ATOM 1605 C THR 169 ■ 23, .962 -4, .647 69, .612 1. .00 14. .12 ATOM 1606 O THR 169 ■ 22. .784 -4. .853 69, .918 1. .00 13. .47 ATOM 1607 N ARG 170 ■ 24. .532 -3. .453 69, .683 1. ,00 13. .49 ATOM 1608 H ARG 170 ■ 25. .461 -3. .362 69. .374 1. ,00 0. .00 ATOM 1609 CA ARG 170 23. .819 -2. .271 70. .142 1. ,00 12. .83 ATOM 1610 CB ARG 170 24. .768 -1. .075 70. .111 1. 00 9. ,01 ATOM 1611 CG ARG 170 24. .200 0. .203 70. .663 1. 00 7. ,72 ATOM 1612 CD ARG 170 25. .258 1. .271 70. .649 1. ,00 7. .48 ATOM 1613 NE ARG 170 24. .693 2. .587 70. .897 1. ,00 9. .76 ATOM 1614 HE ARG 170 24. .435 2. .810 71. .815 1. ,00 0. ,00 ATOM 1615 CZ ARG 170 24. .515 3. .512 69. .962 1. ,00 9. ,38 ATOM 1616 NHI ARG 170 23. .989 4. .681 70. .290 1. ,00 8. ,60 ATOM 1617 HH11 ARG 170 23. .732 4. .855 71. .242 1. 00 0. ,00 ATOM 1618 HH12 ARG 170 23. .839 5. ,384 69. .600 1. 00 0. ,00 ATOM 1619 NH2 ARG 170 24. .872 3. ,277 68. .705 1. 00 6. ,68 ATOM 1620 HH21 ARG 170 25. .304 2. ,407 68. .477 1. 00 0. ,00 ATOM 1621 HH22 ARG 170 24. .748 3. .982 68. .003 1. .00 0. .00 ATOM 1622 C ARG 170 23. .295 -2. .478 71. .564 1. ,00 14. .22 ATOM 1623 O ARG 170 22. .162 -2. .113 71. .876 1. ,00 15. .95 ATOM 1624 N GLU 171 24. .133 -3. .044 72. .425 1. ,00 16. .49 ATOM 1625 H GLU 171 25. .006 -3. .316 72. .108 1. .00 0. .00 ATOM 1626 CA GLU 171 23. .764 -3. .294 73. .815 1. .00 18. .76 ATOM 1627 CB GLU 171 24. .946 -3. .879 74, .596 1. .00 23. .85 ATOM 1628 CG GLU 171 26. .031 -2. .873 74. .999 1. .00 33, .82 ATOM 1629 CD GLU 171 26. .910 -2. .398 73, .838 1. .00 38, .04 ATOM 1630 OEI GLU 171 27. .491 -1. .288 73, .952 1. .00 36, .00 ATOM 1631 OE2 GLU 171 27, .034 -3, .132 72, .826 1. .00 37 .18 ATOM 1632 C GLU 171 • 22, .584 -4, .249 73 .900 1, .00 17 .67 - 192 - ATOM 1633 O GLU 171 -21.632 -4.009 74.645 1.00 17.85 ATOM 1634 N GLU 172 -22.660 -5.331 73 .130 1 .00 17.32 ATOM 1635 H GLU 172 -23.444 -5.443 72 .559 1 .00 0.00 ATOM 1636 CA GLU 172 -21.606 -6.340 73 .090 1 .00 15.02 ATOM 1637 CB GLU 172 -22.061 -7.542 72 .267 1 .00 15.64 ATOM 1638 CG GLU 172 -23.194 -8.329 72 .899 1 .00 19.91 ATOM 1639 CD GLU 172 -23.906 -9.255 71 .918 1 .00 25.18 ATOM 1640 OEI GLU 172 -25.002 -9.751 72 .253 1 .00 30.20 ATOM 1641 OE2 GLU 172 -23.390 -9.481 70 .804 1 .00 27.42 ATOM 1642 C GLU 172 -20.315 -5.764 72 .519 1 .00 14.37 ATOM 1643 O GLU 172 -19.221 -6.107 72 .970 1, .00 15.38 ATOM 1644 N ALA 173 -20.443 -4.888 71 .527 1, .00 12.66 ATOM 1645 H ALA 173 -21.328 -4.667 71 .181 1, .00 0.00 ATOM 1646 CA ALA 173 -19.282 -4.250 70, .913 1, .00 10.27 ATOM 1647 CB ALA 173 -19.709 -3.376 69, .747 1, .00 9.98 ATOM 1648 C ALA 173 -18.551 -3.415 71, .953 1. .00 9.42 ATOM 1649 O ALA 173 -17.339 -3.527 72. .102 1. .00 10.18 ATOM 1650 N GLU 174 -19.295 -2.599 72. .694 1. .00 11.48 ATOM 1651 H GLU 174 -20.266 -2.557 72. .540 1. .00 0.00 ATOM 1652 CA GLU 174 -18.697 -1.761 73. .725 1. .00 11.44 ATOM 1653 CB GLU 174 -19.727 -0.810 74. .322 1. .00 10.86 ATOM 1654 CG GLU 174 -20.082 0.331 73. .398 1. .00 13.06 ATOM 1655 CD GLU 174 -20.959 1.383 74. .050 1. .00 15.17 ATOM 1656 OEI GLU 174 -20.984 1.474 75. .297 1. ,00 14.77 ATOM 1657 OE2 GLU 174 -21.622 2.132 73. .306 1. ,00 15.98 ATOM 1658 C GLU 174 -18.061 -2.589 74. .824 1. ,00 11.55 ATOM 1659 O GLU 174 -17.005 -2.237 75. .345 1. ,00 15.49 ATOM 1660 N ARG 175 -18.707 -3.684 75. .194 1. ,00 13.21 ATOM 1661 H ARG 175 -19.572 -3.890 74. ,766 1. ,00 0.00 ATOM 1662 CA ARG 175 -18.169 -4.550 76. ,232 1. 00 15.31 ATOM 1663 CB ARG 175 -19.136 -5.693 76. ,514 1. 00 16.15 ATOM 1664 CG ARG 175 -18.747 -6.564 77. ,685 1. 00 24.24 ATOM 1665 CD ARG 175 -19.658 -7.776 77. ,764 1. 00 31.62 ATOM 1666 NE ARG 175 -21.073 -7.405 77. ,758 1. 00 38.21 ATOM 1667 HE ARG 175 -21.507 -7.272 76. 885 1. 00 0.00 ATOM 1668 CZ ARG 175 -21.813 -7.241 78. 852 1. 00 43.81 ATOM 1669 NHI ARG 175 -21.276 -7.421 80. 056 1. 00 42.92 ATOM 1670 HH11 ARG 175 -20.313 -7.677 80. 134 1. 00 0.00 ATOM 1671 : HHl2 ARG 175 -21.827 -7.290 80. 881 1. 00 0.00 193 ATOM 1672 NH2 ARG 175 -23.087 -6.869 78.741 1.00 45.14 ATOM 1673 HH21 ARG 175 -23 .483 -6 .719 77 .836 1 .00 0 .00 ATOM 1674 HH22 ARG 175 -23 .645 -6 .731 79 .561 1 .00 0 .00 ATOM 1675 C ARG 175 -16 .808 -5 .102 75 .808 1 .00 15 .70 ATOM 1676 O ARG 175 -15 .875 -5 .124 76 .606 1 .00 14 .24 ATOM 1677 N LYS 176 -16 .691 -5 .522 74 .550 1 .00 15 .99 ATOM 1678 H LYS 176 -17 .474 -5 .464 73 .956 1 .00 0 .00 ATOM 1679 CA LYS 176 -15 .432 -6 .061 74, .031 1, .00 18, .88 ATOM 1680 CB LYS 176 -15, .643 -6 .727 72, .672 1. .00 20, .03 ATOM 1681 CG LYS 176 -16, .324 -8 .074 72, .733 1, .00 24, .38 ATOM 1682 CD LYS 176 -16, .319 -8 .737 71, .365 1, .00 28, .28 ATOM 1683 CE LYS 176 -16. .972 -10. .118 71. .402 1. .00 32. .74 ATOM 1684 NZ LYS 176 -16. .224 -11. .112 72. .229 1. .00 33. .50 ATOM 1685 HZ1 LYS 176 -16. .180 -10, .765 73. .210 1. .00 0. .00 ATOM 1686 HZ2 LYS 176 -15. .257 -11. .220 71. .853 1. .00 0. .00 ATOM 1687 HZ3 LYS 176 -16. .712 -12. .029 72. .190 1. .00 0, .00 ATOM 1688 C LYS 176 -14. .336 -5. .002 73. .903 1. .00 19. .37 ATOM 1689 O LYS 176 -13. .164 -5. .275 74. .164 1. .00 20. .28 ATOM 1690 N LEU 177 -14. .722 -3. .799 73. .490 1. .00 16. .82 ATOM 1691 H LEU 177 -15. .661 -3. .666 73. .244 1. ,00 0. .00 ATOM 1692 CA LEU 177 -13. .776 -2. .704 73. .325 1. .00 15. .13 ATOM 1693 CB LEU 177 -14. .379 -1. .617 72. .428 1. ,00 13. .20 ATOM 1694 CG LEU 177 -14. .633 -2. .023 70. .973 1. ,00 11. .03 ATOM 1695 CDl LEU 177 -15. .280 -0. .876 70. .229 1. ,00 8. .85 ATOM 1696 CD2 LEU 177 -13. .329 -2. .429 70. .302 1. ,00 5. .60 ATOM 1697 C LEU 177 -13. .315 -2. .111 74. .654 1. .00 16. ,41 ATOM 1698 O LEU 177 -12. .157 -1. .730 74. ,800 1. 00 16. ,11 ATOM 1699 N TYR 178 -14. .227 -2. .014 75. .615 1. ,00 17. .85 ATOM 1700 H TYR 178 -15. .136 -2, .325 75. .444 1. .00 0. .00 ATOM 1701 CA TYR 178 -13. .900 -1. .471 76. .929 1. .00 19. .30 ATOM 1702 CB TYR 178 -15. .174 -1. .068 77. .676 1. ,00 15. .30 ATOM 1703 CG TYR 178 -15. .706 0. .301 77. .313 1. ,00 11. .87 ATOM 1704 CDl TYR 178 -14. .866 1. .413 77. .301 1. .00 9. .08 ATOM 1705 CEI TYR 178 -15. .356 2. .681 77. .014 1. .00 8. .80 ATOM 1706 CD2 TYR 178 -17. .051 0. .493 77. .023 1. .00 8. .22 ATOM 1707 CE2 TYR 178 -17. .549 1. .756 76. .736 1. ,00 8. .10 ATOM 1708 CZ TYR 178 -16. .696 2. .846 76. .734 1. .00 10. .05 ATOM 1709 OH TYR 178 -17. .183 4. .110 76. .465 1. .00 12. .49 ATOM 1710 HH TYR 178 -18. .142 4, .016 76. .455 1. .00 0. .00 194 ATOM 1711 C TYR 178 -13.135 -2.494 77.752 1.00 22.26 ATOM 1712 O TYR 178 -12 .287 -2 .148 78 .572 1 .00 22 .67 ATOM 1713 N SER 179 -13 .432 -3 .764 77 .514 1 .00 28 .96 ATOM 1714 H SER 179 -14 .082 -4 .002 76 .825 1 .00 0 .00 ATOM 1715 CA SER 179 -12 .791 -4 .850 78 .237 1 .00 32 .67 ATOM 1716 CB SER 179 -13 .775 -6 .013 78 .416 1 .00 34 .27 ATOM 1717 OG SER 179 •14 .956 -5 .590 79 .095 1 .00 32 .95 ATOM 1718 HG SER 179 •15 .462 -5 .097 78 .445 1 .00 0 .00 ATOM 1719 C SER 179 •11 .518 -5 .320 77 .544 1 .00 34 .73 ATOM 1720 O SER 179 •11 .467 -6 .416 76 .994 1 .00 37 .10 ATOM 1721 N GLY 180 •10 .490 -4 .483 77 .578 1 .00 37 .24 ATOM 1722 H GLY 180 ■ 10, .577 -3 .618 78 .040 1, .00 0 .00 ATOM 1723 CA GLY 180 -9, .230 -4 .834 76 .951 1, .00 39, .63 ATOM 1724 C GLY 180 -8, .163 -3, .809 77 .266 1. .00 41, .09 ATOM 1725 O GLY 180 -8, .217 -3, .151 78, .305 1, .00 41, .30 ATOM 1726 N ALA 181 -7. .201 -3, .659 76, .361 1, .00 43. .10 ATOM 1727 H ALA 181 -7, .216 -4, .226 75, .564 1, .00 0, .00 ATOM 1728 CA ALA 181 -6. .116 -2, .699 76, .541 1. .00 43. .62 ATOM 1729 CB ALA 181 -5. .003 -2, .975 75. .547 1. .00 44. .37 ATOM 1730 C ALA 181 -6. .608 -1, .261 76. .393 1. .00 44. .60 ATOM 1731 O ALA 181 -5. .962 -0. .327 76. .865 1. .00 47. .43 ATOM 1732 N GLN 182 -7. .749 -1. .091 75. .731 1. .00 42. .79 ATOM 1733 H GLN 182 -8. .217 -1. .875 75. .390 1. .00 0. .00 ATOM 1734 CA GLN 182 -8. .339 0. .229 75. .516 1. .00 41. .06 ATOM 1735 CB GLN 182 -8. .819 0. .840 76. .837 1. .00 40. .78 ATOM 1736 CG GLN 182 10. .005 0. .113 77. .453 1. ,00 42. .40 ATOM 1737 CD GLN 182 10. .574 0. .836 78. .661 1. ,00 45. .06 ATOM 1738 OEI GLN 182 10. .583 2. .069 78. ,717 1. ,00 45. .31 ATOM 1739 NE2 GLN 182 11. ,067 0. ,075 79. ,626 1. ,00 44. .73 ATOM 1740 HE21 GLN 182 11. ,050 -0. .897 79. ,502 1. 00 0. .00 ATOM 1741 HE22 GLN 182 11. ,427 0. .496 80. .437 1. ,00 0. .00 ATOM 1742 C GLN 182 -1. ,405 1. .189 74. ,784 1. ,00 39. .41 ATOM 1743 O GLN 182 -1. ,449 2. .406 74. .994 1. .00 39. .06 ATOM 1744 N THR 183 -6. ,580 0. ,625 73. .908 1. ,00 38. .44 ATOM 1745 H THR 183 -6. 587 -0. ,340 73. ,784 1. ,00 0. .00 ATOM 1746 CA THR 183 -5. 632 1. ,390 73. ,109 1. 00 35. .60 ATOM 1747 CB THR 183 -4. 702 0. ,455 72. ,333 1. 00 37. .11 ATOM 1748 OG1 THR 183 -4. 298 -0. 628 73. 180 1. 00 40. ,31 ATOM 1749 HG1 THR 183 -3. 583 -1. 085 72. 722 1. 00 0. ,00 195 ATOM 1750 CG2 THR 183 -3.477 1.212 71.842 1.00 38.58 ATOM 1751 C THR 183 -6 .398 2 .212 72 .081 1 .00 32 .82 ATOM 1752 O THR 183 -7 .365 1 .725 71 .485 1 .00 30 .53 ATOM 1753 N ASP 184 -5 .957 3 .444 71 .856 1 .00 29 .67 ATOM 1754 H ASP 184 -5 .161 3 .761 72 .327 1 .00 0 .00 ATOM 1755 CA ASP 184 -6 .616 4 .312 70 .889 1 .00 27 .05 ATOM 1756 CB ASP 184 -5 .947 5 .693 70 .862 1 .00 28 .47 ATOM 1757 CG ASP 184 -6 .205 6 .506 72 .126 1 .00 30, .50 ATOM 1758 ODI ASP 184 -5 .410 7 .432 72 .391 1 .00 32, .80 ATOM 1759 OD2 ASP 184 -7, .198 6 .244 72, .844 1. .00 29. .45 ATOM 1760 C ASP 184 -6 .582 3 .679 69 .495 1. .00 24, .36 ATOM 1761 O ASP 184 -5, .569 3, .109 69, .089 1. .00 21. .86 ATOM 1762 N GLY 185 -7, .707 3, .752 68, .790 1. .00 20. .06 ATOM 1763 H GLY 185 -8, .508 4 .173 69, .171 1. .00 0. .00 ATOM 1764 CA GLY 185 -7. .784 3, .190 67, .458 1. .00 16. .45 ATOM 1765 C GLY 185 -8. .218 1. .737 67. .404 1. ,00 13. .20 ATOM 1766 O GLY 185 -8. .296 1. .173 66. .318 1. .00 14. .03 ATOM 1767 N LYS 186 -8. .438 1. .111 68. .557 1. ,00 13. .12 ATOM 1768 H LYS 186 -8. .274 1. .583 69. .398 1. ,00 0. .00 ATOM 1769 CA LYS 186 -8. .888 -0. .282 68. .606 1. .00 13. .63 ATOM 1770 CB LYS 186 -8. .986 -0. .748 70. .057 1. .00 17. ,81 ATOM 1771 CG LYS 186 -8. .738 -2. .226 70. .287 1. ,00 22. .20 ATOM 1772 CD LYS 186 -7. .246 -2. .526 70. .257 1. ,00 30. .53 ATOM 1773 CE LYS 186 -6. .949 -3. .956 70. .685 1. ,00 34. .36 ATOM 1774 NZ LYS 186 -5. .493 -4. .283 70. .606 1. ,00 33. .77 ATOM 1775 HZ1 LYS 186 -4. .967 -3. .644 71. .232 1. .00 0. .00 ATOM 1776 HZ2 LYS 186 -5. .150 -4. .182 69. .632 1. ,00 0. .00 ATOM 1777 HZ3 LYS 186 -5. .356 -5. .264 70. .919 1. ,00 0. .00 ATOM 1778 C LYS 186 10. .282 -0. .245 67. .980 1. ,00 10. .77 ATOM 1779 O LYS 186 11. .107 0. .573 68. .376 1. .00 10. .89 ATOM 1780 N PHE 187 10. .563 -1. .139 67. .038 1. .00 9. .58 ATOM 1781 H PHE 187 -9. .906 -1. .827 66. .789 1. ,00 0. .00 ATOM 1782 CA PHE 187 11. .849 -1. .114 66. .354 1. ,00 5. .69 ATOM 1783 CB PHE 187 11. .718 -0. .276 65. .066 1. .00 6. .05 ATOM 1784 CG PHE 187 10. .985 -0, .991 63. .949 1. .00 6. .66 ATOM 1785 CDl PHE 187 11. .684 -1. .540 62. .876 1. .00 5. .77 ATOM 1786 CD2 PHE 187 -9, .600 -1, .149 63, .991 1. .00 7, .01 ATOM 1787 CEI PHE 187 11. .022 -2, .240 61. .868 1. .00 6. .32 ATOM 1788 CE2 PHE 187 -8. .926 -1. .853 62, .978 1. .00 6. .92 - 196 ATOM 1789 CZ PHE 187 -9.640 -2.397 61.919 1.00 5.13 ATOM 1790 c PHE 187 -12 .368 -2 .485 65 .962 1 .00 6 .09 ATOM 1791 0 PHE 187 -11 .659 -3 .482 66 .040 1 .00 6 .46 ATOM 1792 N LEU 188 -13 .612 -2 .506 65 .502 1 .00 4 .37 ATOM 1793 H LEU 188 -14 .139 -1 .682 65 .510 1 .00 0 .00 ATOM 1794 CA LEU 188 -14 .253 -3 .711 65 .018 1 .00 4 .97 ATOM 1795 CB LEU 188 14 .849 -4 .529 66 .164 1 .00 8 12 ATOM 1796 CG LEU 188 15 .937 -3 .971 67 .079 1 .00 6 99 ATOM 1797 CDl LEU 188 17 .293 -3 .940 66 .382 1 00 4 98 ATOM 1798 CD2 LEU 188 16 .005 -4 .869 68 .296 1 00 9 58 ATOM 1799 C LEU 188 15 .328 -3 .269 64 .044 1 00 4 81 ATOM 1800 O LEU 188 15 .705 -2 .099 64 .021 1 00 7 29 ATOM 1801 N LEU 189 15 776 -4 .185 63 .201 1 00 4 31 ATOM 1802 H LEU 189 15 .415 -5 .099 63 .217 1 00 0 00 ATOM 1803 CA LEU 189 16 816 -3 887 62 234 1 00 6 28 ATOM 1804 CB LEU 189 16 289 -3 999 60 806 1 00 6 37 ATOM 1805 CG LEU 189 17 305 -3 588 59 747 1 00 9 47 ATOM 1806 CDl LEU 189 17 422 -2 078 59 738 1 00 13 86 ATOM 1807 CD2 LEU 189 16 874 -4 083 58 383 1 00 14 76 ATOM 1808 C LEU 189 17 892 -4 921 62 468 1 00 6 49 ATOM 1809 O LEU 189 17 590 -6 097 62 647 1 00 7 98 ATOM 1810 N ARG 190 19 146 -4 492 62 457 1 00 7 83 ATOM 1811 H ARG 190 19 341 -3 547 62 290 1 00 0 00 ATOM 1812 CA ARG 190 20 249 -5 407 62 706 1 00 8 00 ATOM 1813 CB ARG 190 20 660 -5 307 64 181 1 00 8 07 ATOM 1814 CG ARG 190 21 012 -3 879 64 610 1 00 5 07 ATOM 1815 CD ARG 190 21 372 -3 771 66 080 1 00 9 21 ATOM 1816 NE ARG 190 21 369 -2 379 66 535 1 00 9 70 ATOM 1817 HE ARG 190 20 510 -2 002 66 808 1 00 0 00 ATOM 1818 CZ ARG 190 22 446 -1 603 66 618 1 00 7 61 ATOM 1819 NHI ARG 190 23 644 -2 069 66 288 1 00 9 52 ATOM 1820 HH11 ARG 190 23 756 -3 016 65 981 1 00 0 00 ATOM 1821 HHl2 ARG 190 24 437 -1 466 66 366 1 00 0 00 ATOM 1822 NH2 ARG 190 22 314 -0 342 66 995 1 00 5 65 ATOM 1823 HH21 ARG 190 21 402 0 008 67 211 1 00 0 00 ATOM 1824 HH22 ARG 190 23 111 0 252 67 069 1 00 0 00 ATOM 1825 C ARG 190 21 444 -5 057 61 847 1 00 10 51 ATOM 1826 O ARG 190 21 683 -3 880 61 565 1 00 14 83 ATOM 1827 N PRO 191 22 176 -6 071 61 361 1 00 10 83 197 - ATOM 1828 CD PRO 191 •21.942 -7.523 61, .465 1..00 10..41 ATOM 1829 CA PRO 191 •23.352 -5. .787 60, .540 1. .00 10. .84 ATOM 1830 CB PRO 191 23.690 -7, .156 59. .946 1. .00 9. .30 ATOM 1831 CG PRO 191 23.267 -8. .095 61. .017 1. .00 9. .83 ATOM 1832 C PRO 191 24.462 -5. .298 61. .471 1. .00 12. .64 ATOM 1833 0 PRO 191 24.466 -5. .630 62. .659 1. .00 15. .28 ATOM 1834 N ARG 192 25.363 -4. .469 60. .963 1. ,00 12. .45 ATOM 1835 H ARG 192 25.336 -4. .180 60. .025 1. .00 0. .00 ATOM 1836 CA ARG 192 26.454 -3. .983 61. .787 1. .00 12. .10 ATOM 1837 CB ARG 192 26.689 -2. .491 61. .575 1. .00 9. .12 ATOM 1838 CG ARG 192 25.592 -1. .606 62. .105 1. ,00 2. ,40 ATOM 1839 CD ARG 192 25.878 -0. .148 61, .810 1. ,00 7. .40 ATOM 1840 NE ARG 192 27.001 0. .383 62. .583 1. ,00 8. .66 ATOM 1841 HE ARG 192 26.904 0. .465 63. .553 1. 00 0. ,00 ATOM 1842 CZ ARG 192 28.172 0. .743 62. .064 1. .00 8. .48 ATOM 1843 NHI ARG 192 28.390 0. .628 60. .764 1. ,00 11. .77 ATOM 1844 HH11 ARG 192 27.658 0. .282 60. .181 1. ,00 0. .00 ATOM 1845 HH12 ARG 192 29.261 0. .900 60. .355 1. ,00 0. .00 ATOM 1846 NH2 ARG 192 29.121 1. .243 62. .841 1. ,00 11. .80 ATOM 1847 HH21 ARG 192 28.968 1. .357 63. .822 1. ,00 0. .00 ATOM 1848 HH22 ARG 192 29.999 1. .507 62. .438 1. ,00 0. .00 ATOM 1849 C ARG 192 27.708 -4. .761 61. .449 1. .00 16, .67 ATOM 1850 O ARG 192 27.713 -5. .581 60. .530 1. .00 16. .54 ATOM 1851 N LYS 193 28.765 -4. .497 62. .207 1. .00 24. .12 ATOM 1852 H LYS 193 28.664 -3, .846 62. .939 1. .00 0 .00 ATOM 1853 CA LYS 193 30.052 -5, .154 62, .021 1. .00 27, .69 ATOM 1854 CB LYS 193 31.054 -4. .605 63. .040 1. .00 30 .58 ATOM 1855 CG LYS 193 32.442 -5, .207 62. .954 1. .00 36, .83 ATOM 1856 CD LYS 193 33.390 -4, .538 63, .950 1, .00 42 .21 ATOM 1857 CE LYS 193 34.851 -4, .902 63 .677 1. .00 43 .76 ATOM 1858 NZ LYS 193 35.100 -6, .373 63. .679 1. .00 45 .07 ATOM 1859 HZ1 LYS 193 ■ 34.800 -6 .768 64 .593 1 .00 0 .00 ATOM 1860 HZ2 LYS 193 34.562 -6 .822 62 .914 1 .00 0 .00 ATOM 1861 HZ3 LYS 193 •36.117 -6 .545 63 .544 1 .00 0 .00 ATOM 1862 C LYS 193 ■ 30.595 -5 .004 60 .595 1 .00 29 .29 ATOM 1863 O LYS 193 ■31.078 -5 .970 60 .009 1 .00 30 .78 ATOM 1864 N GLU 194 ■ 30.505 -3 .803 60 .027 1 .00 30 .08 ATOM 1865 H GLU 194 ■30.052 -3 .073 60 .494 1 .00 0 .00 ATOM 1866 CA GLU 194 •31.010 -3 .580 58 .672 1 .00 29 .65 - 198 - ATOM 1867 CB GLU 194 -31.443 -2.124 58.468 1.00 31.51 ATOM 1868 CG GLU 194 -32.478 -1.620 59.468 1.00 34.14 ATOM 1869 CD GLU 194 -31.843 -1.000 60.701 1.00 39.15 ATOM 1870 OEI GLU 194 -32.144 -1.447 61.828 1.00 43.02 ATOM 1871 0E2 GLU 194 -31.040 -0.057 60.545 1.00 42.87 ATOM 1872 C GLU 194 -29.996 -3.978 57.608 1.00 29.35 ATOM 1873 O GLU 194 -28.815 -3.656 57.708 1.00 30.02 ATOM 1874 N GLN 195 -30.475 -4.676 56.585 1.00 27.79 ATOM 1875 H GLN 195 -31.430 -4.874 56.579 1.00 0.00 ATOM 1876 CA GLN 195 -29.638 -5.143 55.486 1.00 26.98 ATOM 1877 CB GLN 195 -30.495 -5.896 54.468 1.00 32.16 ATOM 1878 CG GLN 195 -31.179 -7.137 55.007 1.00 38.27 ATOM 1879 CD GLN 195 -30.242 -8.321 55.098 1.00 42.30 ATOM 1880 OEI GLN 195 -29.244 -8.286 55.816 1.00 46.88 ATOM 1881 NE2 GLN 195 -30.550 -9.375 54.356 1.00 43.75 ATOM 1882 HE21 GLN 195 -31.346 -9.348 53.792 1.00 0.00 ATOM 1883 HE22 GLN 195 -29.951 -10.143 54.423 1.00 0.00 ATOM 1884 C GLN 195 -28.949 -3.987 54.779 1.00 23.15 ATOM 1885 O GLN 195 -29.574 -2.973 54.488 1.00 24.44 ATOM 1886 N GLY 196 -27.661 -4.142 54.502 1.00 20.21 ATOM 1887 H GLY 196 -27.192 -4.960 54.770 1.00 0.00 ATOM 1888 CA GLY 196 -26.934 -3.096 53.811 1.00 17.86 ATOM 1889 C GLY 196 -26.347 -2.009 54.687 1.00 17.20 ATOM 1890 O GLY 196 -25.769 -1.050 54.169 1.00 15.58 ATOM 1891 N THR 197 -26.517 -2.130 56.003 1.00 16.43 ATOM 1892 H THR 197 -27.003 -2.893 56.375 1.00 0.00 ATOM 1893 CA THR 197 -25.966 -1.160 56.944 1.00 12.41 ATOM 1894 CB THR 197 -27.056 -0.415 57.740 1.00 12.16 ATOM 1895 OG1 THR 197 -27.907 -1.361 58.392 1.00 12.64 ATOM 1896 HG1 THR 197 -28.275 -1.934 57.715 1.00 0.00 ATOM 1897 CG2 THR 197 -27.883 0.478 56.826 1.00 7.90 ATOM 1898 C THR 197 -25.050 -1.897 57.912 1.00 12.59 ATOM 1899 O THR 197 -25.333 -3.033 58.312 1.00 13.67 ATOM 1900 N TYR 198 -23.933 -1.259 58.244 1.00 8.91 ATOM 1901 H TYR 198 -23.787 -0.345 57.907 1.00 0.00 ATOM 1902 CA TYR 198 -22.936 -1.814 59.148 1.00 8.91 ATOM 1903 CB TYR 198 -21.686 -2.239 58.363 1.00 6.61 ATOM 1904 CG TYR 198 -21.941 -3.345 57.363 1.00 9.50 ATOM 1905 CDl TYR 198 -22.509 -3.072 56.118 1.00 6.46 - 199 - ATOM 1906 CEI TYR 198 -22.777 -4.092 55.212 .00 9.83 ATOM 1907 CD2 TYR 198 -21.643 -4.671 57.675 .00 9.33 ATOM 1908 CE2 TYR 198 -21.905 -5.693 56.778 .00 12.76 ATOM 1909 CZ TYR 198 -22.469 -5.403 55.549 .00 13.23 ATOM 1910 OH TYR 198 -22.692 -6.430 54.649 ,00 15.25 ATOM 1911 HH TYR 198 -23.165 -6.078 53.883 ,00 0.00 ATOM 1912 C TYR 198 -22.560 -0.696 60.091 00 8.51 ATOM 1913 O TYR 198 -23.001 0.436 59.912 00 11.67 ATOM 1914 N ALA 199 -21.748 -1.001 61.091 00 8.59 ATOM 1915 H ALA 199 -21.423 -1.916 61.229 00 0.00 ATOM 1916 CA ALA 199 -21.306 0.025 62.017 00 6.98 ATOM 1917 CB ALA 199 -22.149 0.012 63.283 00 7.55 ATOM 1918 C ALA 199 -19.851 -0.214 62.348 00 8.45 ATOM 1919 O ALA 199 -19.422 -1.361 62.501 00 9.19 ATOM 1920 N LEU 200 -19.084 0.869 62.380 00 7.78 ATOM 1921 H LEU 200 -19.476 1.742 62.171 00 0.00 ATOM 1922 CA LEU 200 -17.674 0.821 62.715 00 7.79 ATOM 1923 CB LEU 200 -16.893 1.746 61.784 00 9.17 ATOM 1924 CG LEU 200 -15.369 1.757 61.924 00 15.15 ATOM 1925 CDl LEU 200 -14.783 0.386 61.569 00 12.28 ATOM 1926 CD2 LEU 200 -14.793 2.844 61.012 00 13.36 ATOM 1927 C LEU 200 -17.571 1.313 64.158 00 9.38 ATOM 1928 O LEU 200 -17.970 2.433 64.461 00 13.05 ATOM 1929 N SER 201 -17.087 0.463 65.057 00 10.24 ATOM 1930 H SER 201 -16.753 -0.412 64.768 00 0.00 ATOM 1931 CA SER 201 -16.961 0.824 66.466 00 8.31 ATOM 1932 CB SER 201 -17.707 -0.196 67.339 00 6.89 ATOM 1933 OG SER 201 -19.077 -0.311 66.977 00 7.26 ATOM 1934 HG SER 201 -19.090 -0.707 66.093 00 0.00 ATOM 1935 C SER 201 -15.491 0.869 66.862 00 9.36 ATOM 1936 O SER 201 -14.765 -0.104 66.653 00 9.48 ATOM 1937 N LEU 202 -15.051 1.984 67.439 00 10.31 ATOM 1938 H LEU 202 -15.662 2.736 67.609 .00 0.00 ATOM 1939 CA LEU 202 -13.657 2.124 67.853 .00 11.15 ATOM 1940 CB LEU 202 -12.835 2.838 66.771 ,00 11.80 ATOM 1941 CG LEU 202 -12.959 4.352 66.596 .00 12.43 ATOM 1942 CDl LEU 202 -11.634 5.027 66.905 .00 15.63 ATOM 1943 CD2 LEU 202 -13.371 4.665 65.176 .00 18.37 ATOM 1944 C LEU 202 -13.534 2.893 69.156 .00 14.24 - 200 ATOM 1945 O LEU 202 -14.446 3.617 69.546 1.00 12.46 ATOM 1946 N ILE 203 -12.399 2.736 69.825 1.00 17.13 ATOM 1947 H ILE 203 -11.707 2.154 69.453 1.00 0.00 ATOM 1948 CA ILE 203 -12.162 3.433 71.081 1.00 18.71 ATOM 1949 CB ILE 203 -11.490 2.540 72.137 1.00 19.35 ATOM 1950 CG2 ILE 203 -11.866 3.011 73.529 1.00 21.06 ATOM 1951 CGI ILE 203 -11.887 1.084 71.957 1.00 23.07 ATOM 1952 CD ILE 203 -10.981 0.139 72.713 1.00 26.33 ATOM 1953 C ILE 203 -11.195 4.580 70.853 1.00 19.13 ATOM 1954 O ILE 203 -10.265 4.481 70.046 1.00 20.24 ATOM 1955 N TYR 204 -11.419 5.667 71.571 1.00 19.51 ATOM 1956 H TYR 204 -12.205 5.723 72.147 1.00 0.00 ATOM 1957 CA TYR 204 -10.544 6.818 71.520 1.00 20.06 ATOM 1958 CB TYR 204 -10.831 7.714 70.324 1.00 21.97 ATOM 1959 CG TYR 204 -9.864 8.866 70.276 1.00 23.47 ATOM 1960 CDl TYR 204 -8.493 8.637 70.173 1.00 24.19 ATOM 1961 CEI TYR 204 -7.590 9.685 70.211 1.00 26.94 ATOM 1962 CD2 TYR 204 -10.307 10.177 70.411 1.00 24.45 ATOM 1963 CE2 TYR 204 -9.410 11.232 70.449 1.00 26.76 ATOM 1964 CZ TYR 204 -8.056 10.977 70.354 1.00 28.21 ATOM 1965 OH TYR 204 -7.160 12.014 70.424 1.00 37.45 ATOM 1966 HH TYR 204 -7.642 12.839 70.522 1.00 0.00 ATOM 1967 C TYR 204 -10.724 7.594 72.814 1.00 20.33 ATOM 1968 O TYR 204 -11.827 8.055 73.125 1.00 18.87 ATOM 1969 N GLY 205 -9.643 7.695 73.584 1.00 21.84 ATOM 1970 H GLY 205 -8.815 7.295 73.279 1.00 0.00 ATOM 1971 CA GLY 205 -9.684 8.394 74.858 1.00 20.17 ATOM 1972 C GLY 205 -10.621 7.710 75.837 1.00 19.37 ATOM 1973 O GLY 205 -11.482 8.360 76.424 1.00 21.75 ATOM 1974 N LYS 206 -10.494 6.390 75.963 1.00 18.95 ATOM 1975 H LYS 206 -9.814 5.924 75.440 1.00 0.00 ATOM 1976 CA LYS 206 -11.330 5.597 76.866 1.00 21.57 ATOM 1977 CB LYS 206 -11.065 5.982 78.323 1.00 23.25 ATOM 1978 CG LYS 206 -9.920 5.239 78.982 1.00 27.37 ATOM 1979 CD LYS 206 -9.687 5.772 80.394 1.00 33.80 ATOM 1980 CE LYS 206 -9.061 4.730 81.315 1.00 35.90 ATOM 1981 NZ LYS 206 -10.000 3.606 81.620 1.00 37.25 ATOM 1982 HZ1 LYS 206 -10.264 3.129 80.733 1.00 0.00 ATOM 1983 HZ2 LYS 206 -10.854 3.986 82.078 1.00 0.00 201 - ATOM 1984 HZ3 LYS 206 -9.536 2.926 82.259 1.00 0.00 ATOM 1985 C LYS 206 12 .829 5 .688 76 .577 1 .00 21 .03 ATOM 1986 O LYS 206 13 .649 5 .298 77 .403 1 .00 22 .71 ATOM 1987 N THR 207 13 .185 6 .174 75 .396 1 00 20 .66 ATOM 1988 H THR 207 12 .532 6 .456 74 .735 1 00 0 00 ATOM 1989 CA THR 207 14 582 6 297 75 .020 1 00 20 40 ATOM 1990 CB THR 207 14 992 7 782 74 907 1 00 23 55 ATOM 1991 OG1 THR 207 14 482 8 507 76 033 1 00 25 33 ATOM 1992 HG1 THR 207 13 533 8 667 75 914 1 00 0 00 ATOM 1993 CG2 THR 207 16 507 7 919 74 890 1 00 24 82 ATOM 1994 C THR 207 14 777 5 589 73 679 1 00 19 07 ATOM 1995 O THR 207 13 893 5 630 72 824 1 00 20 35 ATOM 1996 N VAL 208 15 906 4 900 73 531 1 00 16 81 ATOM 1997 H VAL 208 16 535 4 881 74 280 1 00 0 00 ATOM 1998 CA VAL 208 16 240 4 156 72 317 1 00 15 40 ATOM 1999 CB VAL 208 16 952 2 803 72 665 1 00 12 63 ATOM 2000 CGI VAL 208 17 532 2 159 71 422 1 00 16 18 ATOM 2001 CG2 VAL 208 15 972 1 841 73 316 1. 00 8 54 ATOM 2002 C VAL 208 17 115 4 965 71 355 1 00 15 91 ATOM 2003 O VAL 208 18 159 5 483 71 748 1 00 16 07 ATOM 2004 N TYR 209 16 668 5 061 70 100 1 00 17 15 ATOM 2005 H TYR 209 15 820 4 658 69 884 1 00 0 00 ATOM 2006 CA TYR 209 17 366 5 775 69 026 1 00 13 45 ATOM 2007 CB TYR 209 16 393 6 701 68 298 1 00 12 87 ATOM 2008 CG TYR 209 15 821 7 795 69 153 1 00 12 70 ATOM 2009 CDl TYR 209 16 246 9 107 69 005 1 00 14 59 ATOM 2010 CEI TYR 209 15 721 10 124 69 786 1 00 17 80 ATOM 2011 CD2 TYR 209 14 851 7 523 70 108 1 00 12 27 ATOM 2012 CE2 TYR 209 14 322 8 531 70 896 1 00 15 .57 ATOM 2013 CZ TYR 209 14 760 9 830 70 732 1 00 16 21 ATOM 2014 OH TYR 209 14 250 10 837 71 519 1 00 16 78 ATOM 2015 HH TYR 209 14 677 11 671 71 296 1 00 0 .00 ATOM 2016 C TYR 209 17 956 4 790 68 014 1 00 11 .19 ATOM 2017 O TYR 209 17 350 3 770 67 706 1 00 12 .29 ATOM 2018 N HIS 210 19 143 5 096 67 505 1 00 10 .27 ATOM 2019 H HIS 210 19 587 5 914 67 .804 1 00 0 .00 ATOM 2020 CA HIS 210 19 811 4 244 66 525 1 00 9 .28 ATOM 2021 CB HIS 210 21 .123 3 .697 67 .085 1 .00 11 .42 ATOM 2022 CG HIS 210 20 .981 2 .980 68 .390 1 .00 13 .02 202 - WO97/08300 P PCCTT,/US96/13918 ATOM 2023 CD2 HIS 210 -21.058 3.429 69 .663 1 .00 12 .81 ATOM 2024 NDI HIS 210 -20.751 1.624 68 .474 1 .00 12 .75 ATOM 2025 HD1 HIS 210 -20.594 1.000 67 .722 1 .00 0 .00 ATOM 2026 CEI HIS 210 -20.696 1.268 69 .744 1 .00 13 .87 ATOM 2027 NE2 HIS 210 -20.878 2.345 70 .485 1 .00 13 .61 ATOM 2028 HE2 HIS 210 -20.870 2.365 71 .458 1 .00 0 .00 ATOM 2029 C HIS 210 -20.143 5.074 65 .301 1 .00 9 .07 ATOM 2030 O HIS 210 -20.690 6.165 65 .430 1 .00 11 .99 ATOM 2031 N TYR 211 -19.839 4.550 64 .119 1 .00 9 .30 ATOM 2032 H TYR 211 -19.408 3.671 64 .065 1 .00 0 .00 ATOM 2033 CA TYR 211 -20.115 5.239 62 .860 1 .00 8 .50 ATOM 2034 CB TYR 211 -18.810 5.602 62 .136 1 .00 7 .82 ATOM 2035 CG TYR 211 -17.960 6.618 62 .866 1 .00 9 .31 ATOM 2036 CDl TYR 211 -17.064 6.224 63 .862 1, .00 10, .88 ATOM 2037 CEI TYR 211 -16.270 7.154 64 .531 1, .00 9, .13 ATOM 2038 CD2 TYR 211 -18.043 7.973 62. .559 1, .00 10. .28 ATOM 2039 CΞ2 TYR 211 -17.254 8.911 63 .223 1, .00 9, .76 ATOM 2040 CZ TYR 211 -16.371 8.492 64, .205 1. .00 9, .78 ATOM 2041 OH TYR 211 -15.579 9.405 64. .857 1. .00 11. .29 ATOM 2042 HH TYR 211 -15.854 10.307 64. .614 1. .00 0. .00 ATOM 2043 C TYR 211 -20.958 4.331 61. .981 1. .00 6. .82 ATOM 2044 O TYR 211 -20.728 3.124 61. .917 1. .00 8. .26 ATOM 2045 N LEU 212 -21.949 4.917 61. .324 1. .00 6. .71 ATOM 2046 H LEU 212 -22.062 5.893 61. .376 1. .00 0. .00 ATOM 2047 CA LEU 212 -22.852 4.185 60. .451 1. ,00 5. .46 ATOM 2048 CB LEU 212 -24.174 4.959 60. .360 1. ,00 7. .18 ATOM 2049 CG LEU 212 -25.494 4.395 59. .818 1. ,00 9. .03 ATOM 2050 CDl LEU 212 -25.835 5.015 58. ,480 1. ,00 12. .52 ATOM 2051 CD2 LEU 212 -25.475 2.889 59. ,756 1. ,00 11. ,67 ATOM 2052 C LEU 212 -22.226 4.035 59. ,065 1. 00 6. ,62 ATOM 2053 O LEU 212 -21.636 4.975 58. ,535 1. ,00 5. .44 ATOM 2054 N ILE 213 -22.275 2.827 58. ,521 1. 00 7. ,03 ATOM 2055 H ILE 213 -22.665 2.078 59. ,020 1. 00 0. ,00 ATOM 2056 CA ILE 213 -21.757 2.583 57. 187 1. 00 6. 11 ATOM 2057 CB ILE 213 -20.691 1.477 57. ,174 1. 00 8. ,10 ATOM 2058 CG2 ILE 213 -20.328 1.111 55. 733 1. 00 8. ,26 ATOM 2059 CGI ILE 213 -19.446 1.940 57. 935 1. 00 7. ,79 ATOM 2060 CD ILE 213 -18.405 0.858 58. 106 1. 00 4. 59 ATOM 2061 C ILE 213 -22.972 2.142 56. 384 1. 00 7. 52 203 ATOM 2062 0 ILE 213 •23.708 1.254 56.806 1.00 7.66 ATOM 2063 N SER 214 • 23 .212 2 .781 55 .250 1, .00 8 .29 ATOM 2064 H SER 214 22 .616 3 .483 54 .920 1, .00 0 .00 ATOM 2065 CA SER 214 ■ 24, .365 2 .429 54 .442 1, .00 11, .71 ATOM 2066 CB SER 214 • 25. .403 3 .550 54, .517 1. .00 13, .40 ATOM 2067 OG SER 214 26, .664 3 .122 54, .045 1. .00 21, .53 ATOM 2068 HG SER 214 27, .246 2, .924 54, .794 1. .00 0, .00 ATOM 2069 C SER 214 • 23. .944 2 .183 53, .000 1. .00 13, .39 ATOM 2070 O SER 214 ■ 22. .868 2 .608 52, .574 1. .00 14. .33 ATOM 2071 N GLN 215 • 24. .773 1, .454 52. .266 1. .00 16. .85 ATOM 2072 H GLN 215 25. .622 1. .144 52. .659 1. .00 0. .00 ATOM 2073 CA GLN 215 24. .501 1. .145 50. .870 1. ,00 21. .53 ATOM 2074 CB GLN 215 24. .656 -0, .356 50. .632 1. .00 21. .76 ATOM 2075 CG GLN 215 24. .198 -0, .815 49. .265 1. .00 25. .99 ATOM 2076 CD GLN 215 24. .267 -2. .320 49. .102 1. ,00 27. .71 ATOM 2077 OEI GLN 215 24. .990 -3. .002 49. .825 1. ,00 31. .50 ATOM 2078 NE2 GLN 215 23. .500 -2. .848 48. .160 1. .00 26. .57 ATOM 2079 HE21 GLN 215 22. .916 -2. .272 47. .626 1. ,00 0. .00 ATOM 2080 HE22 GLN 215 23. .571 -3. .817 48. .059 1. ,00 0. .00 ATOM 2081 C GLN 215 25. .496 1. .919 50. .014 1. ,00 23. .57 ATOM 2082 O GLN 215 26. .702 1. .807 50. .218 1. ,00 26. .27 ATOM 2083 N ASP 216 24. .997 2. .742 49. .096 1. .00 24. .50 ATOM 2084 H ASP 216 24. .024 2, .829 49. .029 1. .00 0. .00 ATOM 2085 CA ASP 216 25. .878 3. .523 48. .239 1. .00 25. .05 ATOM 2086 CB ASP 216 25. .195 4. .820 47. .769 1. .00 24. .39 ATOM 2087 CG ASP 216 23. .933 4, .580 46. .941 1. .00 24, .49 ATOM 2088 ODI ASP 216 23. .826 3, .556 46. .232 1. .00 24, .62 ATOM 2089 OD2 ASP 216 23. .041 5, .451 46. .986 1. .00 22, .90 ATOM 2090 C ASP 216 26. .447 2. .743 47. .055 1. .00 26. .80 ATOM 2091 O ASP 216 26. .222 1. .539 46. .923 1. .00 27. .31 ATOM 2092 N LYS 217 27. .143 3, .454 46. .173 1. .00 30 .69 ATOM 2093 H LYS 217 27. .270 4, .407 46. .343 1. .00 0 .00 ATOM 2094 CA LYS 217 27. .762 2, .863 44. .986 1. .00 32. .79 ATOM 2095 CB LYS 217 28. .498 3, .946 44. .189 1, .00 36 .64 ATOM 2096 CG LYS 217 27, .606 4, .818 43, .290 1. .00 41 .04 ATOM 2097 CD LYS 217 26, .611 5 .688 44 .067 1 .00 45 .48 ATOM 2098 CE LYS 217 ■ 27, .307 6 .796 44, .850 1, .00 49 .13 ATOM 2099 NZ LYS 217 ■ 26, .330 7 .760 45, .446 1, .00 51 .31 ATOM 2100 HZ1 LYS 217 ■ 25, .793 8 .221 44 .683 1, .00 0 .00 - 204 ATOM 2101 HZ2 LYS 217 -25.684 7.252 46.083 1.00 0.00 ATOM 2102 HZ3 LYS 217 -26.846 8.482 45.988 1.00 0.00 ATOM 2103 C LYS 217 -26.758 2.156 44.077 1.00 31.55 ATOM 2104 O LYS 217 -27.058 1.116 43.497 1.00 33.38 ATOM 2105 N ALA 218 -25.567 2.731 43.959 1.00 30.81 ATOM 2106 H ALA 218 -25.384 3.544 44.464 1.00 0.00 ATOM 2107 CA ALA 218 -24.517 2.175 43.113 1.00 28.71 ATOM 2108 CB ALA 218 -23.534 3.265 42.728 1.00 27.61 ATOM 2109 C ALA 218 -23.781 1.011 43.773 1.00 29.11 ATOM 2110 O ALA 218 -22.812 0.490 43.217 1.00 31.99 ATOM 2111 N GLY 219 -24.222 0.624 44.968 1.00 26.78 ATOM 2112 H GLY 219 -25.007 1.034 45.378 1.00 0.00 ATOM 2113 CA GLY 219 -23.588 -0.472 45.674 1.00 22.67 ATOM 2114 C GLY 219 -22.322 -0.078 46.411 1.00 22.34 ATOM 2115 O GLY 219 -21.617 -0.937 46.943 1.00 22.37 ATOM 2116 N LYS 220 -22.043 1.218 46.472 1.00 18.20 ATOM 2117 H LYS 220 -22.639 1.850 46.038 1.00 0.00 ATOM 2118 CA LYS 220 -20.857 ' 1.699 47.157 1.00 15.98 ATOM 2119 CB LYS 220 -20.334 2.951 46.464 1.00 19.42 ATOM 2120 CG LYS 220 -19.724 2.658 45.103 1.00 24.14 ATOM 2121 CD LYS 220 -19.446 3.937 44.349 1.00 30.32 ATOM 2122 CE LYS 220 -18.686 3.669 43.057 1.00 35.44 ATOM 2123 NZ LYS 220 -17.267 3.293 43.318 1.00 39.63 ATOM 2124 HZ1 LYS 220 -17.249 2.479 43.959 1.00 0.00 ATOM 2125 HZ2 LYS 220 -16.790 4.091 43.777 1.00 0.00 ATOM 2126 HZ3 LYS 220 -16.781 3.043 42.432 1.00 0.00 ATOM 2127 C LYS 220 -21.119 1.954 48.636 1.00 13.83 ATOM 2128 O LYS 220 -22.221 2.346 49.019 1.00 12.56 ATOM 2129 N TYR 221 -20.112 1.677 49.459 1.00 10.21 ATOM 2130 H TYR 221 -19.285 1.336 49.059 1.00 0.00 ATOM 2131 CA TYR 221 -20.194 1.863 50.903 1.00 9.57 ATOM 2132 CB TYR 221 -19.445 0.759 51.641 1.00 8.91 ATOM 2133 CG TYR 221 -19.910 -0.632 51.334 1.00 9.85 ATOM 2134 CDl TYR 221 -19.410 -1.318 50.231 1.00 9.27 ATOM 2135 CEI TYR 221 -19.782 -2.629 49.974 1.00 13.17 ATOM 2136 CD2 TYR 221 -20.805 -1.289 52.174 1.00 10.94 ATOM 2137 CE2 TYR 221 -21.185 -2.605 51.928 1.00 13.53 ATOM 2138 CZ TYR 221 -20.665 -3.267 50.826 1.00 12.86 ATOM 2139 OH TYR 221 -20.995 -4.579 50.584 1.00 19.40 205 ATOM 2140 HH TYR 221 -20.857 -4.758 49.645 l.CO 0.00 ATOM 2141 C TYR 221 -19.574 3.174 51.330 1.00 10.79 ATOM 2142 O TYR 221 -18.616 3.651 50.714 1.00 10.37 ATOM 2143 N CYS 222 -20.090 3.724 52.422 1.00 9.88 ATOM 2144 H CYS 222 -20.863 3.315 52.870 1.00 0.00 ATOM 2145 CA CYS 222 -19.570 4.964 52.967 1.00 9.81 ATOM 2146 CB CYS 222 -19.774 6.126 51.986 1.00 10.60 ATOM 2147 SG CYS 222 -21.492 6.676 51.784 1.00 17.23 ATOM 2148 C CYS 222 -20.244 5.331 54.270 l.CO 9.69 ATOM 2149 O CYS 222 -21.345 4.860 54.579 1.00 7.62 ATOM 2150 N ILE 223 -19.521 6.097 55.074 1.00 10.22 ATOM 2151 H ILE 223 -18.601 6.331 54.815 1.00 0.00 ATOM 2152 CA ILE 223 -20.059 6.638 56.306 1.00 9.93 ATOM 2153 CB ILE 223 -18.925 6.995 57.300 l.CO 6.84 ATOM 2154 CG2 ILE 223 -19.475 7.742 58.498 l.CO 5.29 ATOM 2155 CGI ILE 223 -18.225 5.712 57.762 l.CO 6.96 ATOM 2156 CD ILE 223 -16.938 5.946 58.525 1.00 9.34 ATOM 2157 C ILE 223 -20.697 7.902 55.706 1.00 11.78 ATOM 2158 O ILE 223 -20.109 8.528 54.823 1.00 12.45 ATOM 2159 N PRO 224 -21.936 8.234 56.102 1.00 13.13 ATOM 2160 CD PRO 224 -22.736 7.595 57.167 1.00 13.77 ATOM 2161 CA PRO 224 -22.621 9.422 55.572 1.00 12.77 ATOM 2162 CB PRO 224 -23.707 9.672 56.616 1.00 12.95 ATOM 2163 CG PRO 224 -24.088 8.271 57.014 1.00 13.82 ATOM 2164 C PRO 224 -21.715 10.647 55.374 l.CO 11.50 ATOM 2165 O PRO 224 -21.090 11.126 56.315 1.00 9.13 ATOM 2166 N GLU 225 -21.645 11.124 54.132 1.00 14.71 ATOM 2167 H GLU 225 -22.179 10.664 53.448 l.CO 0.00 ATOM 2168 CA GLU 225 -20.830 12.280 53.738 1.00 15.88 ATOM 2169 CB GLU 225 -21.055 13.465 54.680 1.00 20.79 ATOM 2170 CG GLU 225 -22.439 14.080 54.631 1.00 26.35 ATOM 2171 CD GLU 225 -22.526 15.306 55.516 1.00 32.15 ATOM 2172 OEI GLU 225 -22.863 15.151 56.712 1.00 33.44 ATOM 2173 OE2 GLU 225 -22.228 16.418 55.020 1.00 34.61 ATOM 2174 C GLU 225 -19.330 12.006 53.641 1.00 13.50 ATOM 2175 O GLU 225 -18.536 12.937 53.502 1.00 14.62 ATOM 2176 N GLY 226 -18.939 10.740 53.707 1.00 10.60 ATOM 2177 H GLY 226 -19.593 10.021 53.791 1.00 0.00 ATOM 2178 CA GLY 226 -17.532 10.407 53.626 1.00 9.49 206 ATOM 2179 C GLY 226 -17.172 9.830 52.273 1.00 7.50 ATOM 2180 O GLY 226 -18 .004 9 .771 51 .373 1 .00 7 .18 ATOM 2181 N THR 227 -15 .926 9 .395 52 .140 1 .00 11 .32 ATOM 2182 H THR 227 -15 .314 9 .439 52 .909 1 .00 0 .00 ATOM 2183 CA THR 227 -15 .419 8 .798 50 .907 1 .00 11 .27 ATOM 2184 CB THR 227 -13 .911 8 .469 51 .054 1 .00 10 .87 ATOM 2185 OG1 THR 227 -13 .191 9 .664 51 .370 1 .00 11 .75 ATOM 2186 HG1 THR 227 -13 .305 10 .261 50 .623 1 .00 0 .00 ATOM 2187 CG2 THR 227 13 .350 7 .891 49 .783 1 .00 9 .00 ATOM 2188 C THR 227 ■16 .191 7 .513 50 .609 1 .00 11 .40 ATOM 2189 O THR 227 16 .643 6 .835 51 .530 1 .00 13 43 ATOM 2190 N LYS 228 16 .343 7 .187 49 .330 1 .00 11 00 ATOM 2191 H LYS 228 15 .978 7 .748 48 .614 1 00 0 00 ATOM 2192 CA LYS 228 17 056 5 .986 48 927 1 00 11 19 ATOM 2193 CB LYS 228 18 118 6 329 47 882 1 00 15 00 ATOM 2194 CG LYS 228 19 153 7 293 48 448 1 00 11 92 ATOM 2195 CD LYS 228 20 385 7 410 47 598 1 00 15 46 ATOM 2196 CE LYS 228 21 505 8 048 48 399 1 00 16 88 ATOM 2197 NZ LYS 228 21 135 9 394 48 914 1 00 26 16 ATOM 2198 HZ1 LYS 228 20 889 10 007 48 111 1 00 0 00 ATOM 2199 HZ2 LYS 228 20 321 9 311 49 557 1 00 0 00 ATOM 2200 HZ3 LYS 228 21 945 9 804 49 428 1 00 0 00 ATOM 2201 C LYS 228 16 114 4 890 48 452 1 00 10 75 ATOM 2202 O LYS 228 15 136 5 153 47 745 1 00 8 11 ATOM 2203 N PHE 229 16 412 3 661 48 866 1 00 8 50 ATOM 2204 H PHE 229 17 223 3 514 49 399 1 00 0 00 ATOM 2205 CA PHE 229 15 590 2 504 48 552 1 00 5 46 ATOM 2206 CB PHE 229 14 963 1 973 49 843 1 00 4 60 ATOM 2207 CG PHE 229 14 272 3 031 50 669 1 00 4 48 ATOM 2208 CDl PHE 229 14 983 3 792 51 590 1 00 7 15 ATOM 2209 CD2 PHE 229 12. 913 3 269 50 525 1 00 5 66 ATOM 2210 CEI PHE 229 14. 350 4 767 52 352 1 00 4 56 ATOM 2211 CE2 PHE 229 12. 280 4 242 51 284 1 00 5 66 ATOM 2212 CZ PHE 229 13. 003 4 991 52. 199 1. 00 2 65 ATOM 2213 C PHE 229 16. 403 1 398 47 891 1. 00 8 16 ATOM 2214 O PHE 229 17. 617 1. 312 48. 086 1. 00 5 71 ATOM 2215 N ASP 230 15. 728 0 538 47. 126 1. 00 9. 14 ATOM 2216 H ASP 230 14. 760 0. 670 47. 008 1. 00 0. 00 ATOM 2217 CA ASP 230 16. 394 -0 574 46. 445 1. 00 9. 38 207 - ATOM 2218 CB ASP 230 -15.574 -1.052 45.246 1.00 8.63 ATOM 2219 CG ASP 230 -15.869 -0.274 43.981 1.00 8.43 ATOM 2220 ODI ASP 230 -15.274 -0.608 42.947 1.00 9.85 ATOM 2221 OD2 ASP 230 -16.698 0.654 43.998 1.00 11.91 ATOM 2222 C ASP 230 -16.651 -1.761 47.363 1.00 10.64 ATOM 2223 O ASP 230 -17.541 -2.573 47.108 1.00 11.10 ATOM 2224 N THR 231 -15.824 -1.904 48.391 1.00 10.48 ATOM 2225 H THR 231 -15.090 -1.275 48.547 1.00 0.00 ATOM 2226 CA THR 231 -15.971 -3.007 49.321 1.00 6.74 ATOM 2227 CB THR 231 -14.953 -4.131 49.036 1.00 7.00 ATOM 2228 OG1 THR 231 -13.627 -3.614 49.171 1.00 8.09 ATOM 2229 HG1 THR 231 -13.496 -3.068 48.382 1.00 0.00 ATOM 2230 CG2 THR 231 -15.127 -4.692 47.635 1.00 9.33 ATOM 2231 C THR 231 -15.700 -2.501 50.719 1.00 5.98 ATOM 2232 0 THR 231 -15.050 -1.477 50.898 1.00 4.61 ATOM 2233 N LEU 232 -16.211 -3.224 51.704 1.00 7.05 ATOM 2234 H LEU 232 -16.795 -3.989 51.481 1.00 0.00 ATOM 2235 CA LEU 232 -16.001 -2.885 53.099 1.00 8.76 ATOM 2236 CB LEU 232 -16.881 -3.761 53.994 1.00 6.96 ATOM 2237 CG LEU 232 -18.367 -3.450 54.121 1.00 6.67 ATOM 2238 CDl LEU 232 -19.044 -4.612 54.828 1.00 7.35 ATOM 2239 CD2 LEU 232 -18.576 -2.150 54.897 1.00 6.04 ATOM 2240 C LEU 232 -14.534 -3.090 53.473 1.00 7.18 ATOM 2241 O LEU 232 -14.021 -2.433 54.374 1.00 9.95 ATOM 2242 N TRP 233 -13.873 -4.022 52.796 1.00 6.47 ATOM 2243 H TRP 233 -14.348 -4.510 52.099 1.00 0.00 ATOM 2244 CA TRP 233 -12.464 -4.305 53.057 1.00 6.87 ATOM 2245 CB TRP 233 -11.979 -5.466 52.188 1.00 3.74 ATOM 2246 CG TRP 233 -10.687 -6.058 52.650 1.00 4.57 ATOM 2247 CD2 TRP 233 -9.359 -5.570 52.381 1.00 8.34 ATOM 2248 CE2 TRP 233 -8.458 -6.423 53.060 1.00 6.83 ATOM 2249 CE3 TRP 233 -8.844 -4.493 51.641 1.00 8.52 ATOM 2250 CDl TRP 233 -10.536 -7.154 53.440 1.00 5.21 ATOM 2251 NEI TRP 233 -9.204 -7.380 53.693 1.00 6.92 ATOM 2252 HEI TRP 233 -8.861 -8.107 54.265 1.00 0.00 ATOM 2253 CZ2 TRP 233 -7.073 -6.237 53.021 1.00 8.01 ATOM 2254 CZ3 TRP 233 -7.458 -4.308 51.601 1.00 6.16 ATOM 2255 CH2 TRP 233 -6.592 -5.177 52.292 1.00 7.69 ATOM 2256 C TRP 233 -11.617 -3.062 52.772 1.00 7.29 - 208 ATOM 2257 O TRP 233 -10.733 -2.700 53.561 1.00 9.21 ATOM 2258 N GLN 234 -11.902 -2.403 51.652 1.00 5.93 ATOM 2259 H GLN 234 -12.613 -2.733 51.066 1.00 0.00 ATOM 2260 CA GLN 234 -11.169 -1.204 51.262 1.00 4.78 ATOM 2261 CB GLN 234 -11.443 -0.862 49.798 1.00 6.84 ATOM 2262 CG GLN 234 -10.836 -1.880 48.848 1.00 10.82 ATOM 2263 CD GLN 234 -11.380 -1.789 47.432 1.00 10.56 ATOM 2264 OEI GLN 234 -12.586 -1.878 47.209 1.00 8.62 ATOM 2265 NE2 GLN 234 -10.487 -1.652 46.469 1.00 11.25 ATOM 2266 HE21 GLN 234 -9.531 -1.629 46.708 1.00 0.00 ATOM 2267 HE22 GLN 234 -10.789 -1.580 45.537 1.00 0.00 ATOM 2268 C GLN 234 -11.449 -0.015 52.160 1.00 3.62 ATOM 2269 O GLN 234 -10.554 0.781 52.430 1.00 5.94 ATOM 2270 N LEU 235 -12.689 0.106 52.615 1.00 5.89 ATOM 2271 H LEU 235 -13.364 -0.541 52.324 1.00 0.00 ATOM 2272 CA LEU 235 -13.081 1.190 53.511 1.00 4.73 ATOM 2273 CB LEU 235 -14.566 1.059 53.872 1.00 4.90 ATOM 2274 CG LEU 235 -15.185 2.047 54.874 1.00 6.15 ATOM 2275 CDl LEU 235 -16.630 2.350 54.483 1.00 8.45 ATOM 2276 CD2 LEU 235 -15.109 1.496 56.298 1.00 4.62 ATOM 2277 C LEU 235 -12.216 1.146 54.769 1.00 5.64 ATOM 2278 O LEU 235 -11.579 2.133 55.134 1.00 6.99 ATOM 2279 N VAL 236 -12.158 -0.025 55.390 1.00 5.96 ATOM 2280 H VAL 236 -12.661 -0.789 55.026 1.00 0.00 ATOM 2281 CA VAL 236 -11.383 -0.223 56.603 1.00 8.27 ATOM 2282 CB VAL 236 -11.604 -1.650 57.157 1.00 9.38 ATOM 2283 CGI VAL 236 -10.658 -1.938 58.330 1.00 7.51 ATOM 2284 CG2 VAL 236 -13.042 -1.816 57.587 l.oo ' 5.71 ATOM 2285 C VAL 236 -9.892 0.031 56.406 1.00 9.49 ATOM 2286 O VAL 236 -9.270 0.731 57.197 1.00 12.68 ATOM 2287 N GLU 237 -9.317 -0.524 55.347 1.00 10.79 ATOM 2288 H GLU 237 -9.854 -1.062 54.733 1.00 0.00 ATOM 2289 CA GLU 237 -7.887 -0.349 55.094 1.00 11.35 ATOM 2290 CB GLU 237 -7.430 -1.272 53.976 1.00 16.61 ATOM 2291 CG GLU 237 -7.605 -2.731 54.340 1.00 22.80 ATOM 2292 CD GLU 237 -6.787 -3.144 55.547 1.00 24.22 ATOM 2293 OEI GLU 237 -5.597 -2.765 55.618 1.00 22.20 ATOM 2294 OE2 GLU 237 -7.340 -3.852 56.416 1.00 23.12 ATOM 2295 C GLU 237 -7.474 1.076 54.796 1.00 9.15 209 ATOM 2296 O GLU 237 -6.380 1.498 55.156 1.00 12.17 ATOM 2297 N TYR 238 -8 .355 1 .809 54 .128 1 .00 9 .53 ATOM 2298 H TYR 238 -9 .205 1 .398 53 .859 1 .00 0 .00 ATOM 2299 CA TYR 238 -8 .125 3 .205 53 .785 1 .00 6 .78 ATOM 2300 CB TYR 238 -9 .226 3 .674 52 .835 1 .00 5. .11 ATOM 2301 CG TYR 238 -9 .016 5 .049 52 .254 1 .00 6 .85 ATOM 2302 CDl TYR 238 -8 .241 5 .232 51 .112 1 .00 6, .52 ATOM 2303 CEI TYR 238 -8 .072 6 .503 50 .549 1 .00 10 .87 ATOM 2304 CD2 TYR 238 -9 .619 6 .169 52 .830 1 .00 9 .19 ATOM 2305 CE2 TYR 238 -9. .458 7 .438 52, .281 1, .00 10. .07 ATOM 2306 CZ TYR 238 -8. .686 7, .596 51, .141 1, .00 10. .71 ATOM 2307 OH TYR 238 -8, .540 8, .843 50, .592 1, .00 14. .33 ATOM 2308 HH TYR 238 -9. .060 9, .481 51. .085 1. .00 0. .00 ATOM 2309 C TYR 238 -8. .160 4, .042 55, .057 1. .00 6. .62 ATOM 2310 O TYR 238 -7, .335 4, .929 55, .247 1. .00 6. .71 ATOM 2311 N LEU 239 -9, .113 3, .731 55, .931 1. .00 7. .40 ATOM 2312 H LEU 239 -9, .745 3, .006 55. .745 1. .00 0. .00 ATOM 2313 CA LEU 239 -9. .276 4. .443 57, .191 1. .00 9. .62 ATOM 2314 CB LEU 239 10. .675 4. .198 57. .774 1. .00 8. .00 ATOM 2315 CG LEU 239 11. .814 4. .773 56. .918 1. .00 8. .26 ATOM 2316 CDl LEU 239 13. .168 4. .365 57. .461 1. ,00 2. .00 ATOM 2317 CD2 LEU 239 11. .696 6. .285 56. .865 1. .00 6. .62 ATOM 2318 C LEU 239 -8. .170 4. .092 58. .187 1. .00 11. .33 ATOM 2319 O LEU 239 -8. .076 4. .689 59. .261 1. .00 11. .19 ATOM 2320 N LYS 240 -7. .360 3. .091 57. .848 1. .00 12. .90 ATOM 2321 H LYS 240 -7. .552 2. .545 57. .064 1. .00 0. .00 ATOM 2322 CA LYS 240 -6. .221 2. .725 58. .687 1. .00 15. .35 ATOM 2323 CB LYS 240 -5. ,709 1. .326 58. .368 1. ,00 12. .42 ATOM 2324 CG LYS 240 -6. .446 0. .171 59. .010 1. .00 16. .17 ATOM 2325 CD LYS 240 -5. .570 -1. .069 58. .865 1. ,00 18. .37 ATOM 2326 CE LYS 240 -6. .272 -2. .347 59. .239 1. .00 21. .75 ATOM 2327 NZ LYS 240 -5. .382 -3. .491 58. .897 1. .00 22. .57 ATOM 2328 HZ1 LYS 240 -4. .536 -3. .458 59. .499 1. .00 0. .00 ATOM 2329 HZ2 LYS 240 -5. .113 -3. .415 57. .895 1. .00 0, .00 ATOM 2330 HZ3 LYS 240 -5. .890 -4, .386 59. .045 1. .00 0, .00 ATOM 2331 C LYS 240 -5. .103 3, .706 58. .351 1. .00 16, .14 ATOM 2332 O LYS 240 -4, .316 4, .084 59. .212 1, .00 18, .31 ATOM 2333 N LEU 241 -5. .039 4. .096 57. .081 1. .00 17, .44 ATOM 2334 H LEU 241 -5, .702 3, .764 56, .447 1. .00 0, .00 210 WO97/08300 P P'CCTD/US96/13918 ATOM 2335 CA LEU 241 -4.023 5.015 56 .584 1.00 20 .78 ATOM 2336 CB LEU 241 -3.838 4.814 55 .080 1.00 23 .79 ATOM 2337 CG LEU 241 -3.473 3.389 54 .637 1.00 29 .02 ATOM 2338 CDl LEU 241 -3.580 3.258 53 .116 1.00 31 .10 ATOM 2339 CD2 LEU 241 -2.072 3.023 55 .123 1.00 29 .32 ATOM 2340 C LEU 241 -4.336 6.479 56 .882 1.00 20 .10 ATOM 2341 O LEU 241 -3.430 7.271 57 .127 1.00 22 .00 ATOM 2342 N LYS 242 -5.608 6.849 56 .829 1.00 19 .66 ATOM 2343 H LYS 242 -6.313 6.208 56 .582 1.00 0 .00 ATOM 2344 CA LYS 242 -5.996 8.224 57 .114 1.00 19 .53 ATOM 2345 CB LYS 242 -5.892 9.082 55 .844 1.00 22 .06 ATOM 2346 CG LYS 242 -6.778 8.639 54 .688 1.00 24 .44 ATOM 2347 CD LYS 242 -6.367 9.308 53 .386 1.00 24 .79 ATOM 2348 CE LYS 242 -5.120 8.664 52 .808 1.00 23 .03 ATOM 2349 NZ LYS 242 -4.732 9.280 51 .518 1.00 23, .85 ATOM 2350 HZ1 LYS 242 -4.553 10.291 51, .657 1.00 0, .00 ATOM 2351 HZ2 LYS 242 -5.490 9.155 50. .820 1.00 0. .00 ATOM 2352 HZ3 LYS 242 -3.864 8.824 51, .169 1.00 0. .00 ATOM 2353 C LYS 242 -7.395 8.279 57, .716 1.00 16. .00 ATOM 2354 O LYS 242 -8.313 7.645 57. .218 1.00 15. .48 ATOM 2355 N ALA 243 -7.540 9.047 58. .793 1.00 18. .41 ATOM 2356 H ALA 243 -6.733 9.494 59. .123 1.00 0. .00 ATOM 2357 CA ALA 243 -8.814 9.192 59. .507 1.00 18. .23 ATOM 2358 CB ALA 243 -8.690 10.251 60. ,597 1.00 15. .43 ATOM 2359 C ALA 243 -10.018 9.497 58. ,620 1.00 18. .79 ATOM 2360 O ALA 243 -11.102 8.965 58. ,839 1.00 21. .98 ATOM 2361 N ASP 244 -9.834 10.408 57. ,669 1.00 18. .70 ATOM 2362 H ASP 244 -8.942 10.786 57. ,579 1.00 0. .00 ATOM 2363 CA ASP 244 -10.888 10.804 56. 737 1.00 19. 33 ATOM 2364 CB ASP 244 -11.023 9.741 55. 633 1.00 19. .97 ATOM 2365 CG ASP 244 -11.885 10.197 54. 466 1.00 23. 11 ATOM 2366 ODI ASP 244 -12.653 9.359 53. 958 1.00 27. 17 ATOM 2367 OD2 ASP 244 -11.802 11.374 54. 045 1.00 24. 99 ATOM 2368 C ASP 244 -12.245 11.108 57. 402 1.00 19. 28 ATOM 2369 O ASP 244 -13.293 10.622 56. 969 1.00 19. 97 ATOM 2370 N GLY 245 -12.219 11.934 58. 445 1.00 19. 45 ATOM 2371 H GLY 245 -11.383 12.294 58. 773 1.00 0. 00 ATOM 2372 CA GLY 245 -13.447 12.295 59. 133 1.00 16. 82 ATOM 2373 C GLY 245 -13.591 11.656 60. 499 1.00 15. 03 21 1 - ATOM 2374 O GLY 245 ■ 14.259 12.202 61.369 1.00 16.04 ATOM 2375 N LEU 246 ■13 .000 10 .482 60 .676 1 .00 13 .51 ATOM 2376 H LEU 246 ■ 12 .517 10 .063 59 .930 1 .00 0 .00 ATOM 2377 CA LEU 246 ■ 13 .069 9 .791 61 .951 1 .00 12 .38 ATOM 2378 CB LEU 246 •12 .484 8 .377 61 .836 1 .00 10 .62 ATOM 2379 CG LEU 246 •13 .117 7 .342 60 .907 1, .00 8 .08 ATOM 2380 CDl LEU 246 • 12. .370 6 .037 61 .059 1, .00 7 .46 ATOM 2381 CD2 LEU 246 14 .568 7 .138 61, .240 1, .00 9 .01 ATOM 2382 C LEU 246 ■ 12, .311 10, .576 63, .019 1. .00 12, .72 ATOM 2383 O LEU 246 ■11 .451 11 .411 62 .704 1, .00 12, .81 ATOM 2384 N ILE 247 12, .627 10 .288 64, .279 1. .00 13, .47 ATOM 2385 H ILE 247 13, .329 9, .624 64, .457 1. .00 0 .00 ATOM 2386 CA ILE 247 11, .995 10, .947 65. .418 1. .00 13. .85 ATOM 2387 CB ILE 247 12, .762 10, .635 66, .734 1. .00 15. .16 ATOM 2388 CG2 ILE 247 12. .608 9, .163 67, .118 1. .00 12. .79 ATOM 2389 CGI ILE 247 12. .268 11. .529 67. .869 1. .00 15. .17 ATOM 2390 CD ILE 247 12. ,636 12. .970 67. .713 1. .00 18. .15 ATOM 2391 C ILE 247 10. .542 10. .502 65. .550 1. ,00 15. .68 ATOM 2392 O ILE 247 -9. .709 11. .218 66. .100 1. .00 15. .94 ATOM 2393 N TYR 248 10. .244 9. .320 65. .020 1. .00 17. .12 ATOM 2394 H TYR 248 10. .933 8. .784 64. .573 1. .00 0. .00 ATOM 2395 CA TYR 248 -8. .902 8. .760 65. .071 1. .00 18. .04 ATOM 2396 CB TYR 248 -8. .623 8. .221 66. .478 1. .00 19. .67 ATOM 2397 CG TYR 248 -7. .160 8. .036 66. .808 1. .00 22. .04 ATOM 2398 CDl TYR 248 -6. .666 6. .795 67. .194 1. ,00 21. .97 ATOM 2399 CEI TYR 248 -5. .330 6. .630 67. .539 1. ,00 24. .30 ATOM 2400 CD2 TYR 248 -6. ,277 9. .113 66. .770 1. ,00 25. .29 ATOM 2401 CΞ2 TYR 248 -4. .940 8. .962 67. .113 1. .00 26. .21 ATOM 2402 CZ TYR 248 -4. .471 7. .720 67. .498 1. .00 26. .00 ATOM 2403 OH TYR 248 -3. .147 7. .572 67. .853 1. .00 27, .81 ATOM 2404 HH TYR 248 -2. .695 8. .422 67. .810 1. .00 0, .00 ATOM 2405 C TYR 248 -8. .826 7. .618 64. .053 1. .00 18, .31 ATOM 2406 O TYR 248 -9. .839 6. .992 63. .737 1. .00 15. .87 ATOM 2407 N CYS 249 -7. .625 7. .363 63. .543 1. .00 18, .92 ATOM 2408 H CYS 249 -6. .862 7. .889 63. .852 1. .00 0. .00 ATOM 2409 CA CYS 249 -7. .402 6. .305 62. .561 1. .00 22. .24 ATOM 2410 CB CYS 249 -5. .996 6. .413 61. .961 1. .00 25. .63 ATOM 2411 SG CYS 249 -5. .786 7. .673 60. .701 1. .00 35 .34 ATOM 2412 C CYS 249 -7. .554 4. .915 63, .162 1. .00 21 .45 212 WO 97/08300 PPCCTT/US96/13918 ATOM 2413 O CYS 249 -7.292 4.709 64.350 1.00 22.48 ATOM 2414 N LEU 250 -7.940 3.963 62.321 1.00 19.48 ATOM 2415 H LEU 250 -8.101 4.207 61.383 1.00 0.00 ATOM 2416 CA LEU 250 -8.104 2.579 62.735 1.00 18.62 ATOM 2417 CB LEU 250 -8.828 1.801 61.643 1.00 14.55 ATOM 2418 CG LEU 250 -10.355 1.767 61.685 1.00 15.19 ATOM 2419 CDl LEU 250 -10.924 2.936 62.474 1.00 15.11 ATOM 2420 CD2 LEU 250 -10.909 1.703 60.275 1.00 10.15 ATOM 2421 C LEU 250 -6.717 1.999 62.958 1.00 19.97 ATOM 2422 O LEU 250 -5.874 2.037 62.064 1.00 20.94 ATOM 2423 N LYS 251 -6.469 1.496 64.158 1.00 20.78 ATOM 2424 H LYS 251 -7.187 1.486 64.818 1.00 0.00 ATOM 2425 CA LYS 251 -5.167 0.937 64.479 1.00 22.81 ATOM 2426 CB LYS 251 -4.605 1.601 65.737 1.00 22.15 ATOM 2427 CG LYS 251 -4.299 3.082 65.586 1.00 27.38 ATOM 2428 CD LYS 251 -3.054 3.298 64.739 1.00 33.83 ATOM 2429 CE LYS 251 -2.720 4.776 64.587 1.00 36.07 ATOM 2430 NZ LYS 251 -3.778 5.512 63.835 1.00 39.79 ATOM 2431 HZ1 LYS 251 -4.678 5.441 64.346 1.00 0.00 ATOM 2432 HZ2 LYS 251 -3.889 5.099 62.891 1.00 0.00 ATOM 2433 HZ3 LYS 251 -3.501 6.511 63.746 1.00 0.00 ATOM 2434 C LYS 251 -5.217 -0.574 64.657 1.00 24.22 ATOM 2435 O LYS 251 -5.026 -1.329 63.703 1.00 27.36 ATOM 2436 N GLU 252 -5.516 -1.013 65.871 1.00 24.92 ATOM 2437 H GLU 252 -5.766 -0.390 66.588 1.00 0.00 ATOM 2438 CA GLU 252 -5.565 -2.430 66.174 1.00 27.42 ATOM 2439 CB GLU 252 -5.012 -2.671 67.577 1.00 32.86 ATOM 2440 CG GLU 252 -3.569 -2.212 67.765 1.00 43.35 ATOM 2441 CD GLU 252 -3.268 -1.746 69.186 1.00 49.35 ATOM 2442 OEI GLU 252 -3.435 -2.543 70.137 1.00 51.97 ATOM 2443 OE2 GLU 252 -2.858 -0.575 69.348 1.00 50.94 ATOM 2444 C GLU 252 -6.978 -2.977 66.071 1.00 26.08 ATOM 2445 O GLU 252 -7.929 -2.360 66.550 1.00 25.56 ATOM 2446 N ALA 253 -7.108 -4.132 65.432 1.00 24.39 ATOM 2447 H ALA 253 -6.318 -4.560 65.066 1.00 0.00 ATOM 2448 CA ALA 253 -8.395 -4.786 65.278 1.00 25.57 ATOM 2449 CB ALA 253 -8.343 -5.756 64.123 1.00 24.04 ATOM 2450 C ALA 253 -8.747 -5.537 66.555 1.00 27.38 ATOM 2451 O ALA 253 -7.876 -6.121 67.194 1.00 27.58 213 TE SHEET (RULE 25) ATOM 2452 N CYS 254 -10.014 -5.479 66.949 1.00 31.53 ATOM 2453 H CYS 254 -10.650 -4.969 66.417 1 .00 0.00 ATOM 2454 CA CYS 254 -10.492 -6.198 68.125 1 .00 32.99 ATOM 2455 CB CYS 254 -11.780 -5.561 68.652 1 .00 33.76 ATOM 2456 SG CYS 254 -12.375 -6.219 70.229 1. .00 27.18 ATOM 2457 C CYS 254 -10.767 -7.569 67.511 1. .00 36.46 ATOM 2458 O CYS 254 -11.755 -7.746 66.799 1. .00 36.39 ATOM 2459 N PRO 255 -9.875 -8.542 67.759 1. .00 41.03 ATOM 2460 CD PRO 255 -8.830 -8.385 68.790 1. .00 42.01 ATOM 2461 CA PRO 255 -9.899 -9.928 67.273 1. .00 44.44 ATOM 2462 CB PRO 255 -8.601 -10.493 67.840 1. .00 45.11 ATOM 2463 CG PRO 255 -8.523 -9.817 69.164 1. .00 43.82 ATOM 2464 C PRO 255 -11.081 -10.826 67.628 1. .00 46.86 ATOM 2465 O PRO 255 -12.133 -10.365 68.071 1. .00 47.30 ATOM 2466 N ASN 256 -10.888 -12.119 67.377 1. 00 51.27 ATOM 2467 H ASN 256 -10.045 -12.478 67.027 1. 00 0.00 ATOM 2468 CA ASN 256 -11.871 -13.161 67.655 1. 00 53.98 ATOM 2469 CB ASN 256 -12.685 -13.504 66.400 1. 00 54.04 ATOM 2470 CG ASN 256 -13.596 -12.375 65.964 1. 00 53.84 ATOM 2471 ODI ASN 256 -14.807 -12.413 66.187 1. 00 53.28 ATOM 2472 ND2 ASN 256 -13.021 -11.366 65.336 1. 00 52.61 ATOM 2473 HD21 ASN 256 -12.055 -11.405 65.202 1. 00 0.00 ATOM 2474 HD22 ASN 256 -13.555 -10.623 65.004 1. 00 0.00 ATOM 2475 C ASN 256 -11.085 -14.393 68.105 1. 00 55.88 ATOM 2476 O ASN 256 -11.316 -14.859 69.241 1. 00 56.61 ATOM 2477 OT ASN 256 -10.212 -14.846 67.326 1. 00 57.33 ATOM 2478 C GLY 301 -28.599 6.538 66.632 1. 00 34.96 ATOM 2479 O GLY 301 -28.689 7.658 66.126 1. 00 35.59 ATOM 2480 HT1 GLY 301 -29.755 6.289 64.304 1. 00 0.00 ATOM 2481 HT2 GLY 301 -30.909 6.664 65.460 1. 00 0.00 ATOM 2482 N GLY 301 -30.363 5.888 65.043 1. 00 38.32 ATOM 2483 HT3 GLY 301 -30.941 5.100 64.692 1. 00 0.00 ATOM 2484 CA GLY 301 -29.470 5.406 66.131 1. 00 35.83 ATOM 2485 N LEU 302 -27.760 6.248 67.620 1. 00 32.78 ATOM 2486 H LEU 302 -27.741 5.327 67.985 1. 00 0.00 ATOM 2487 CA LEU 302 -26.861 7.240 68.203 1. 00 28.83 ATOM 2488 CB LEU 302 -26.840 7.061 69.721 1. 00 30.89 ATOM 2489 CG LEU 302 -26.726 8.304 70.601 1. 00 35.75 ATOM 2490 CDl LEU 302 -27.093 7.919 72.026 1. 00 34.77 - 214 ATOM 2491 CD2 LEU 302 -25.328 8.914 70.520 1.00 36.69 ATOM 2492 C LEU 302 -25 .465 7 .028 67 .613 1 .00 24 .31 ATOM 2493 O LEU 302 -24 .620 6 .352 68 .205 1 .00 22 .95 ATOM 2494 N PTY 303 -25 .236 7 .580 66 .427 1 .00 20 .12 ATOM 2495 H PTY 303 -25 .916 8 .143 65 .984 1 .00 0 .00 ATOM 2496 CA PTY 303 -23 .952 7 .422 65 .758 1 .00 17 .44 ATOM 2497 CB PTY 303 -24 .137 6 .739 64 .399 1 .00 15 .28 ATOM 2498 CG PTY 303 -24 .685 5 .341 64 .531 1 .00 11 .57 ATOM 2499 CDl PTY 303 -23 .836 4 .247 64 .652 1 .00 14 .15 ATOM 2500 CEI PTY 303 ■24 .342 2 .959 64 .848 1 .00 14 .74 ATOM 2501 CD2 PTY 303 -26 .053 5 .121 64 .602 1, .00 14 .21 ATOM 2502 CE2 PTY 303 •26 .570 3 .847 64 .796 1, .00 14 .14 ATOM 2503 CZ PTY 303 ■ 25, .714 2 .772 64, .918 1, .00 15, .16 ATOM 2504 OH PTY 303 ■ 26, .257 1 .519 65, .078 1. .00 16, .76 ATOM 2505 ORI PTY 303 •27, .377 1 .226 67, .142 1. .00 15, .99 ATOM 2506 OR2 PTY 303 ■ 24, .983 1 .051 67, .202 1. .00 15, .90 ATOM 2507 OR3 PTY 303 •26, .327 -0, .668 66, .144 1. .00 16. .79 ATOM 2508 PR PTY 303 ■ 26. .181 0, .776 66. .437 1. .00 13. .90 ATOM 2509 C PTY 303 •23. .217 8. .735 65. .605 1. .00 16. .36 ATOM 2510 O PTY 303 23. .831 9. .795 65. .484 1. ,00 19. ,96 ATOM 2511 N ASN 304 ■ 21. .895 8. .660 65. .620 1. .00 15. .34 ATOM 2512 H ASN 304 ■ 21. .498 7. .781 65. .684 1. .00 0. .00 ATOM 2513 CA ASN 304 • 21. .062 9. .841 65. .492 1. ,00 17. .74 ATOM 2514 CB ASN 304 19. .676 9. .569 66. .078 1. ,00 17. .48 ATOM 2515 CG ASN 304 19. ,731 9. .186 67. ,544 1. ,00 21. ,95 ATOM 2516 ODI ASN 304 19. ,541 10. .024 68. ,421 1. 00 25. ,74 ATOM 2517 ND2 ASN 304 ■ 20. .008 7. .918 67. .818 1. ,00 20. .37 ATOM 2518 HD21 ASN 304 20. ,117 7. .310 67. .059 1. ,00 0. .00 ATOM 2519 HD22 ASN 304 20. ,130 7. .655 68. .755 1. ,00 0. .00 ATOM 2520 C ASN 304 20. ,959 10. .277 64. ,033 1. 00 18. ,33 ATOM 2521 O ASN 304 20. 992 9. ,450 63. ,118 1. 00 19. .64 ATOM 2522 N GLU 305 20. ,917 11. .583 63. ,814 1. 00 19. .12 ATOM 2523 H GLU 305 20. ,936 12. .208 64. ,568 1. ,00 0. .00 ATOM 2524 CA GLU 305 20. 802 12. ,114 62. ,463 1. 00 22. .88 ATOM 2525 CB GLU 305 21. 555 13. ,441 62. ,336 1. 00 28. .84 ATOM 2526 CG GLU 305 23. 071 13. 318 62. 315 1. 00 37. ,99 ATOM 2527 CD GLU 305 23. 767 14. 669 62. 216 1. 00 43. ,48 ATOM 2528 OEI GLU 305 24. 877 14. ,800 62. ,775 1. 00 46. .82 ATOM 2529 OE2 GLU 305 23. 214 15. ,597 61. ,580 1. 00 45. .74 215 ATOM 2530 C GLU 305 -19.329 12.339 62.158 1.00 21.37 ATOM 2531 O GLU 305 ■ 18 .504 12 .412 63 .068 1 .00 21 .67 ATOM 2532 N LEU 306 ■ 19 .002 12 .437 60 .878 1 .00 19 .52 ATOM 2533 H LEU 306 19 .698 12 .382 60 .192 1 .00 0 .00 ATOM 2534 CA LEU 306 17 .628 12 .667 60 .469 1 .00 17 .30 ATOM 2535 CB LEU 306 17 .451 12 .319 58 .992 1 .00 16 .06 ATOM 2536 CG LEU 306 17 .537 10 .838 58 .627 1 .00 12 .83 ATOM 2537 CDl LEU 306 17 .235 10 .669 57 .151 1 .00 16 .69 ATOM 2538 CD2 LEU 306 16 .555 10 .040 59 .462 1 00 10 12 ATOM 2539 C LEU 306 17 251 14 .119 60 .706 1 00 17 36 ATOM 2540 O LEU 306 18 .070 15 .014 60 .519 1 .00 17 .26 ATOM 2541 N GLN 307 16 019 14 .341 61 .147 1 00 18 44 ATOM 2542 H GLN 307 15 442 13 576 61 .304 1 00 0 00 ATOM 2543 CA GLN 307 15 509 15 685 61 396 1 00 23 01 ATOM 2544 CB GLN 307 14 187 15 618 62 167 1 00 25 06 ATOM 2545 CG GLN 307 14 138 14 590 63 .278 1 00 29 12 ATOM 2546 CD GLN 307 14 549 15 148 64 618 1 00 30 60 ATOM 2547 OEI GLN 307 15 721 15 453 64 849 1 00 34 83 ATOM 2548 NE2 GLN 307 13 583 15 285 65 517 1 00 31 12 ATOM 2549 HE21 GLN 307 12 680 15 007 65 262 1 00 0 00 ATOM 2550 HE22 GLN 307 13 830 15 662 66 384 1 00 0 00 ATOM 2551 C GLN 307 15 219 16 248 60 017 1 00 24 16 ATOM 2552 O GLN 307 14 087 16 149 59 546 1 00 20 19 ATOM 2553 N LYS 308 16 245 16 781 59 354 1 00 30 35 ATOM 2554 H LYS 308 17 125 16 772 59 791 1 00 0 00 ATOM 2555 CA LYS 308 16 110 17 348 58 004 1 00 33 42 ATOM 2556 CB LYS 308 17 486 17 666 57 388 1 00 34 90 ATOM 2557 CG LYS 308 18 534 16 560 57 453 1 00 35 45 ATOM 2558 CD LYS 308 19 567 16 860 58 532 1 00 36 09 ATOM 2559 CE LYS 308 20 215 18 229 58 316 1 00 37 61 ATOM 2560 NZ LYS 308 21 196 18 594 59 391 1 00 37 36 ATOM 2561 HZ1 LYS 308 20 711 18 602 60 310 1 00 0 00 ATOM 2562 HZ2 LYS 308 21 961 17 891 59 403 1 00 0 00 ATOM 2563 HZ3 LYS 308 21 589 19 535 59 193 1 00 0 00 ATOM 2564 C LYS 308 15 296 18 632 58 059 1 00 34 50 ATOM 2565 O LYS 308 15 720 19 675 57 561 1 00 36 22 ATOM 2566 N ASP 309 14 110 18 542 58 637 1 00 34 96 ATOM 2567 H ASP 309 13 714 17 697 58 867 1 00 0 00 ATOM 2568 CA ASP 309 13 247 19 684 58 786 1 00 40 11 216 ATOM 2569 CB ASP 309 -13.833 20.653 59.825 1.00 43.76 ATOM 2570 CG ASP 309 -12 .937 21 .857 60 .076 1 .00 49 .11 ATOM 2571 ODI ASP 309 -12 .285 21 .902 61 .147 1 .00 50 .11 ATOM 2572 OD2 ASP 309 -12 .878 22 .752 59 .198 1 .00 53 .22 ATOM 2573 C ASP 309 -11 .919 19 .147 59 .266 1 .00 41 .03 ATOM 2574 O ASP 309 ■ 11 .021 18 .889 58 .468 1 .00 42 .47 ATOM 2575 N LYS 310 -11 .848 18 .882 60 .565 1 .00 42 .27 ATOM 2576 H LYS 310 -12 .637 19 .008 61 .117 1 .00 0 .00 ATOM 2577 CA LYS 310 -10 .634 18 .385 61 .192 1 .00 43 .52 ATOM 2578 CB LYS 310 -10 .941 17 .848 62 .595 1 .00 42 .96 ATOM 2579 CG LYS 310 •11 .586 18 .868 63 .525 1 .00 42 .02 ATOM 2580 CD LYS 310 •11 .779 18, .312 64 .933 1. .00 41, .98 ATOM 2581 CE LYS 310 •10, .445 18. .138 65. .654 1. .00 41, .82 ATOM 2582 NZ LYS 310 •10 .613 17 .544 67 .012 1. .00 40, .90 ATOM 2583 HZ1 LYS 310 •11 .030 16 .595 66. .920 1, .00 0, .00 ATOM 2584 HZ2 LYS 310 ■11, .238 18, .146 67. .589 1. .00 0, .00 ATOM 2585 HZ3 LYS 310 -9, .684 17, .470 67. .471 1. .00 0. .00 ATOM 2586 C LYS 310 -9. .895 17. .331 60. .372 1. .00 43. .43 ATOM 2587 O LYS 310 -8. .664 17. .323 60. ,353 1. ,00 46. .61 ATOM 2588 N ARG 311 10. .629 16. .461 59. .680 1. .00 42. .01 ATOM 2589 H ARG 311 ■ 11. .604 16. .507 59. .665 1. .00 0. .00 ATOM 2590 CA ARG 311 -9. .982 15. .415 58. .891 1. .00 42. .72 ATOM 2591 CB ARG 311 10. .023 14. .081 59. .644 1. .00 44. .23 ATOM 2592 CG ARG 311 10. .718 14. .119 61. .003 1. ,00 45. .03 ATOM 2593 CD ARG 311 -9. ,748 14. .485 62. 100 1. 00 45. .93 ATOM 2594 NE ARG 311 10. ,418 14. ,685 63. 378 1. 00 48. .24 ATOM 2595 HE ARG 311 11. ,373 14. .913 63. .367 1. ,00 0. .00 ATOM 2596 CZ ARG 311 -9. .818 14. .577 64. .561 1. ,00 51. .76 ATOM 2597 NHI ARG 311 -8. .530 14. ,264 64. .635 1. 00 54. .63 ATOM 2598 HH11 ARG 311 -7. ,990 14. ,102 63. 808 1. 00 0. .00 ATOM 2599 HHl2 ARG 311 -8. 100 14. 179 65. 535 1. 00 0. ,00 ATOM 2600 NH2 ARG 311 10. 503 14. 798 65. 675 1. 00 53. ,00 ATOM 2601 HH21 ARG 311 11. 469 15. 047 65. 619 1. 00 0. ,00 ATOM 2602 HH22 ARG 311 10. ,059 14. ,715 66. 567 1. 00 0. .00 ATOM 2603 C ARG 311 10. 555 15. 212 57. 491 1. 00 42. .09 ATOM 2604 O ARG 311 11. ,725 14. 856 57. 346 1. 00 40. .29 ATOM 2605 N ALA 312 -9. 714 15. 389 56. 469 1. 00 44. .22 ATOM 2606 H ALA 312 -8. 797 15. 704 56. 637 1. 00 0. .00 ATOM 2607 CA ALA 312 10. 130 15. 204 55. 077 1. 00 45. .11 217 ATOM 2608 CB ALA 312 •11.440 15.947 54.818 1.00 46.77 ATOM 2609 C ALA 312 -9 .086 15 .616 54 .024 1 .00 47 .98 ATOM 2610 O ALA 312 -8 .221 16 .462 54 .283 1 .00 50 .03 ATOM 2611 N GLU 313 -9 .168 14 .980 52 .852 1 .00 45 .77 ATOM 2612 H GLU 313 -9 .890 14 .332 52 .717 1 .00 0 .00 ATOM 2613 CA GLU 313 -8 .306 15 .252 51 .693 1 .00 43 .28 ATOM 2614 CB GLU 313 -7 .513 14. .005 51 .283 1 .00 46 .48 ATOM 2615 CG GLU 313 -6, .297 13. .659 52 .143 1 .00 46, .91 ATOM 2616 CD GLU 313 -5, .519 12. .454 51, .605 1, .00 46, .04 ATOM 2617 OEI GLU 313 -6 .023 11. .761 50 .692 1 .00 44 .53 ATOM 2618 OE2 GLU 313 -4, .397 12. .198 52 .097 1 .00 45 .88 ATOM 2619 C GLU 313 -9, .314 15. .575 50 .583 1, .00 42, .06 ATOM 2620 O GLU 313 10, .513 15. .680 50 .869 1, .00 45. .47 ATOM 2621 N ALA 314 -8, .870 15. .668 49, .329 1, .00 31. .51 ATOM 2622 H ALA 314 -7. .925 15. .544 49, .104 1. .00 0. .00 ATOM 2623 CA ALA 314 -9. .801 15. .967 48. .239 1. .00 27. .16 ATOM 2624 CB ALA 314 10. .156 17. .447 48. .238 1. .00 25. .68 ATOM 2625 C ALA 314 -9. .311 15. .545 46. .858 1. .00 24. .26 ATOM 2626 O ALA 314 -8. .204 15. .896 46. .447 1. .00 26. .34 ATOM 2627 N PTY 315 10. .127 14. .766 46. .158 1. .00 18. .14 ATOM 2628 H PTY 315 11. .001 14. .528 46. .522 1. .00 0. .00 ATOM 2629 CA PTY 315 -9. .787 14. .306 44. .814 1. .00 17. .87 ATOM 2630 CB PTY 315 10. .410 12. .934 44. .531 1. .00 16. .23 ATOM 2631 CG PTY 315 -9. .653 11. .782 45. .147 1. .00 13. .44 ATOM 2632 CDl PTY 315 -8. .546 11. .233 44. .504 1. .00 10. .57 ATOM 2633 CEI PTY 315 -7. .821 10. .199 45. .083 1. .00 12. .46 ATOM 2634 CD2 PTY 315 10. .024 11. .261 46. .388 1. .00 14. .63 ATOM 2635 CE2 PTY 315 -9. .308 10. .226 46. .977 1. .00 12. .19 ATOM 2636 CZ PTY 315 -8. .207 9. .702 46. .319 1. .00 14. .21 ATOM 2637 OH PTY 315 -7. .508 8. .671 46. .896 1. .00 10. .17 ATOM 2638 ORI PTY 315 -6. .491 9. .535 48. .913 1. .00 12. .42 ATOM 2639 OR2 PTY 315 -5. .416 9. .978 46. .850 1. .00 12. .44 ATOM 2640 OR3 PTY 315 -5. .389 7. .728 47. .750 1. .00 8. .98 ATOM 2641 PR PTY 315 -6. .156 8. .991 47. .608 1. .00 11. .81 ATOM 2642 C PTY 315 10. .273 15. .318 43. .781 1. .00 18. .42 ATOM 2643 O PTY 315 11. .328 15. .928 43. .950 1. .00 18. .97 ATOM 2644 N SER 316 -9. .500 15. .502 42. .718 1. .00 18. .72 ATOM 2645 H SER 316 -8, .700 14, .957 42, .602 1, .00 0 .00 ATOM 2646 CA SER 316 -9, .871 16, .443 41, .676 1, .00 17 .28 - 218 ATOM 2647 CB SER 316 -8.642 16.849 40.874 1.00 16.40 ATOM 2648 OG SER 316 -7 .653 17 .434 41 .705 1 .00 23 .25 ATOM 2649 HG SER 316 -1 .610 16 .969 42 .563 1 .00 0 .00 ATOM 2650 C SER 316 ■10 .895 15 .799 40 .762 1 .00 17 .80 ATOM 2651 0 SER 316 ■ 11 .065 14 .581 40 .763 1 .00 18 .76 ATOM 2652 N GLU 317 •11 .578 16 .619 39 .978 1 .00 21 .98 ATOM 2653 H GLU 317 ■ 11 .430 17 .585 39 .995 1 .00 0 .00 ATOM 2654 CA GLU 317 •12 .577 16 .113 39 .048 1, .00 26 .81 ATOM 2655 CB GLU 317 ■13 .956 16 .070 39 .718 1 .00 28 .26 ATOM 2656 CG GLU 317 •14 .954 15 .164 39 .010 1, .00 34 .96 ATOM 2657 CD GLU 317 •16 .232 14 .947 39 .803 1, .00 40 .11 ATOM 2658 OEI GLU 317 •17, .320 14, .948 39 .180 1, .00 42, .24 ATOM 2659 OE2 GLU 317 ■ 16, .153 14, .763 41 .041 1, .00 42, .30 ATOM 2660 C GLU 317 ■ 12. .594 17, .020 37, .826 1. .00 27, .50 ATOM 2661 O GLU 317 ■ 12, .160 18, .170 37 .908 1. .00 28. .44 ATOM 2662 N ILE 318 ■ 12. .985 16. .479 36, .676 1. .00 30, .01 ATOM 2663 H ILE 318 •13, .247 15. .532 36. .647 1. .00 0. .00 ATOM 2664 CA ILE 318 •13. .052 17. .287 35. .463 1. .00 32. .57 ATOM 2665 CB ILE 318 ■ 12. .991 16. .428 34. .176 1. .00 31. .13 ATOM 2666 CG2 ILE 318 13. .313 17. .282 32. .955 1. ,00 30. .52 ATOM 2667 CGI ILE 318 11. .598 15. .824 34. .009 1. .00 29. .07 ATOM 2668 CD ILE 318 11. .436 15. .012 32. .736 1. ,00 29. .47 ATOM 2669 C ILE 318 14. .368 18. .051 35. .510 1. .00 36. .48 ATOM 2670 O ILE 318 15. .438 17. .474 35. .299 1. ,00 37. .22 ATOM 2671 N GLY 319 14. .281 19. .335 35. .841 1. ,00 40. .36 ATOM 2672 H GLY 319 13. .427 19. ,760 36. .061 1. 00 0. .00 ATOM 2673 CA GLY 319 15. .461 20. .174 35. .922 1. ,00 45. .03 ATOM 2674 C GLY 319 15. .094 21. .595 36. .305 1. 00 47. ,82 ATOM 2675 O GLY 319 14. .951 22. .445 35. .395 1. ,00 50. .47 ATOM 2676 OT GLY 319 14. ,941 21. ,860 37. ,516 1. 00 49. .68 ATOM 2677 OH2 H20 501 16. ,699 6. ,688 54. .302 1. 00 10. .61 ATOM 2678 HI H20 501 16. ,511 6. 418 53. ,393 1. 00 0. ,00 ATOM 2679 H2 H20 501 16. .240 7. ,548 54. ,364 1. 00 0. ,00 ATOM 2680 OH2 H20 502 -7. ,254 -1. ,610 48. ,935 1. 00 17. ,08 ATOM 2681 HI H20 502 -6. ,444 -2. ,072 49. ,204 1. 00 0. ,00 ATOM 2682 H2 H20 502 -7. 404 -0. ,987 49. ,670 1. 00 0. ,00 ATOM 2683 OH2 H20 503 -8. ,059 0. ,563 50. ,782 1. 00 14. .29 ATOM 2684 HI H20 503 -8. 518 0. 793 49. 971 1. 00 0. ,00 ATOM 2685 H2 H20 503 -8. ,748 0. 792 51. ,423 1. 00 0. ,00 219 ATOM 2686 OH2 H20 504 -6.332 5.449 46.114 1.00 17.64 ATOM 2687 HI H20 504 -5 .403 5 .611 45 .858 1 .00 0 .00 ATOM 2688 H2 H20 504 -6 .621 6 .329 46 .396 1 .00 0 .00 ATOM 2689 OH2 H20 505 ■ 15 .290 -6 .823 51 .705 1 .00 5 .22 ATOM 2690 HI H20 505 ■ 15 .750 -6 .668 50 .860 1 .00 0 .00 ATOM 2691 H2 H20 505 ■ 14 .376 -6 .905 51 .376 1 .00 0 .00 ATOM 2692 OH2 H20 506 -7 .617 -1, .501 46, .161 1 .00 17, .32 ATOM 2693 HI H20 506 -7 .518 -1, .538 47, .137 1, .00 0, .00 ATOM 2694 H2 H20 506 -6, .696 -1. .494 45. .885 1. .00 0. .00 ATOM 2695 OH2 H20 507 -3, .651 7, .250 49. .955 1. .00 15, .71 ATOM 2696 HI H20 507 -4, .520 7, .609 50. .184 1. .00 0, .00 ATOM 2697 H2 H20 507 -3, .891 6. .758 49. .154 1. .00 0. .00 ATOM 2698 OH2 H20 508 19. .945 3. .732 76. .340 1. .00 29. .44 ATOM 2699 HI H20 508 20, .832 3. .744 75. .964 1. .00 0. .00 ATOM 2700 H2 H20 508 19, .954 4. .642 76. .685 1. .00 0. .00 ATOM 2701 OH2 H20 509 10. .902 10. .846 41. .751 1. .00 27. .04 ATOM 2702 HI H20 509 10. .681 10. .574 40. .852 1. .00 0. .00 ATOM 2703 H2 H20 509 10. .412 11. .675 41. .818 1. .00 0. .00 ATOM 2704 OH2 H20 510 18. .163 -5. .347 50. .709 1. .00 9. .29 ATOM 2705 HI H20 510 18. .386 -6. .283 50. .714 1. .00 0. .00 ATOM 2706 H2 H20 510 19. .045 -4. .964 50. .769 1. .00 0. .00 ATOM 2707 OH2 H20 511 -3. .361 4. .879 45. .414 1. .00 16. .59 ATOM 2708 HI H20 511 -3. .647 4. .007 45. .146 1. .00 0. .00 ATOM 2709 H2 H20 511 -2. .506 4. .681 45. .802 1. .00 0. .00 ATOM 2710 OH2 H20 512 15. .018 8. .551 55. .143 1. ,00 25. .00 ATOM 2711 HI H20 512 14. .918 7. .843 55. .793 1. .00 0. .00 ATOM 2712 H2 H20 512 14. .547 9. .270 55. .600 1. .00 0. .00 ATOM 2713 OH2 H20 513 -4. .825 -3. .898 46. .077 1. .00 26. .22 ATOM 2714 HI H20 513 -4. .880 -3. .377 46. .901 1. .00 0. .00 ATOM 2715 H2 H20 513 -4. .485 -3. .251 45. .428 1. .00 0, .00 ATOM 2716 OH2 H20 514 22. .319 7. .998 61. .532 1. .00 14, .50 ATOM 2717 HI H20 514 21. .517 8. .530 61. .422 1. .00 0, .00 ATOM 2718 H2 H20 514 22. .478 8. .172 62. .465 1. .00 0, .00 ATOM 2719 OH2 H20 515 10, .803 5, .341 41. .005 1, .00 25 .05 ATOM 2720 HI H20 515 10, .171 5, .135 40. .303 1, .00 0 .00 ATOM 2721 H2 H20 515 10, .270 5, .263 41, .804 1, .00 0 .00 ATOM 2722 OH2 H20 516 0, .902 5, .902 27, .902 1, .00 36 .64 ATOM 2723 HI H20 516 0 .214 6 .451 28, .280 1 .00 0 .00 ATOM 2724 H2 H20 516 1, .440 6 .522 27 .390 1 .00 0 .00 220 ATOM 2725 OH2 H20 517 -4.715 -2.823 48.594 1.00 17.95 ATOM 2726 HI H20 517 -4 .476 -1 .913 48 .357 1 .00 0 .00 ATOM 2727 H2 H20 517 -3 .933 -3 .025 49 .141 1 .00 0 .00 ATOM 2728 OH2 H20 518 ■ 24 .803 12 .426 65 .782 1 .00 40 .32 ATOM 2729 HI H20 518 ■ 25 .338 11 .990 66 .447 1 .00 0 .00 ATOM 2730 H2 H20 518 -24 .368 11 .668 65 .372 1 .00 0 .00 ATOM 2731 OH2 H20 519 -7 .490 -3 .895 44 .639 1 .00 17 .54 ATOM 2732 HI H20 519 -7 .799 -3 .087 45 .072 1 .00 0 .00 ATOM 2733 H2 H20 519 -6 .561 -3 .711 44 .492 1 .00 0 .00 ATOM 2734 OH2 H20 520 ■ 12 .970 1 .075 39 .173 1 .00 19 .76 ATOM 2735 HI H20 520 ■ 12 .945 0 .105 39 .195 1 .00 0 .00 ATOM 2736 H2 H20 520 ■ 12 .514 1, .300 39 .992 1, .00 0, .00 ATOM 2737 OH2 H20 521 ■ 11, .261 10, .026 31. .185 1, .00 20, .36 ATOM 2738 HI H20 521 ■ 11 .026 10, .800 30 .672 1, .00 0 .00 ATOM 2739 H2 H20 521 • 11 .878 9, .547 30. .622 1, .00 0, .00 ATOM 2740 OH2 H20 522 16, .253 9, .623 47, .575 1. .00 22. .54 ATOM 2741 HI H20 522 ■ 16. .330 10. .315 46. .911 1. .00 0. .00 ATOM 2742 H2 H20 522 ■ 16, .945 9. .935 48, .191 1. .00 0. .00 ATOM 2743 OH2 H20 523 13. .184 -18. .559 49. .110 1. .00 32. .97 ATOM 2744 HI H20 523 13. .959 -18. .613 48. .542 1. .00 0. .00 ATOM 2745 H2 H20 523 12. .455 -18. .533 48. .480 1. .00 0. .00 ATOM 2746 OH2 H20 524 6. .370 1. .830 43. .428 1. .00 20. .14 ATOM 2747 HI H20 524 5. .423 1. .688 43. .475 1. .00 0. .00 ATOM 2748 H2 H20 524 6. .738 0. .978 43. .159 1. .00 0. .00 ATOM 2749 OH2 H20 525 -8. .942 6. .660 44. .772 1. ,00 32. .99 ATOM 2750 HI H20 525 -8. .594 7. .220 44. .081 1. ,00 0. .00 ATOM 2751 H2 H20 525 -8. .778 7. .191 45. .563 1. ,00 0. .00 ATOM 2752 OH2 H20 526 15. .180 4. ,706 44. ,777 1. ,00 35. .71 ATOM 2753 HI H20 526 15. ,373 4. ,421 45. ,677 1. ,00 0. ,00 ATOM 2754 H2 H20 526 14. .575 5. .433 44. ,939 1. ,00 0. .00 ATOM 2755 OH2 H20 527 4. .557 22. ,831 38. ,913 1. 00 25. .19 ATOM 2756 HI H20 527 4. ,963 22. ,258 38. ,254 1. 00 0. ,00 ATOM 2757 H2 H20 527 5. ,249 22. 752 39. 588 1. 00 0. ,00 ATOM 2758 OH2 H20 528 0. ,327 -18. .441 40. ,849 1. 00 63. ,62 ATOM 2759 HI H20 528 0. ,588 -18. .051 40. ,013 1. 00 0. ,00 ATOM 2760 H2 H20 528 -0. 242 -17. 781 41. 246 1. 00 0. ,00 ATOM 2761 OH2 H20 529 6. 903 14. 794 51. 066 1. 00 29. ,24 ATOM 2762 HI H20 529 7. ,219 15. 307 50. 322 1. 00 0. ,00 ATOM 2763 H2 H20 529 5. 950 14. 776 50. 943 1. 00 0. ,00 221 ATOM 2764 OH2 H20 530 -7.974 -1.103 42.817 1,.00 34,.83 ATOM 2765 HI H20 530 -7, .354 -0 .435 43 .127 1, .00 0. .00 ATOM 2766 H2 H20 530 -8, .438 -1, .272 43 .650 1. .00 0. .00 ATOM 2767 OH2 H20 531 21. .992 6, .566 69, .376 1. .00 33. .58 ATOM 2768 HI H20 531 22, .876 6. .479 68 .981 1. .00 0. .00 ATOM 2769 H2 H20 531 22, .202 7 .118 70 .144 1. .00 0. .00 ATOM 2770 OH2 H20 532 -0. .211 -0, .329 27 .193 1. .00 35. .34 ATOM 2771 HI H20 532 -1. .107 -0, .247 27, .545 1. .00 0. .00 ATOM 2772 H2 H20 532 -0. .184 0, .393 26, .558 1. .00 0. .00 ATOM 2773 OH2 H20 533 14. .231 14, .927 55, .731 1. .00 22. .94 ATOM 2774 HI H20 533 14. .283 14, .056 55, .341 1. .00 0. .00 ATOM 2775 H2 H20 533 13. .463 14, .883 56. .317 1. .00 0. .00 ATOM 2776 OH2 H20 535 24. .946 -4, .413 65. .364 1. .00 21. .19 ATOM 2777 HI H20 535 24. ,728 -4, .688 64. .466 1. ,00 0. .00 ATOM 2778 H2 H20 535 24. .390 -5. .033 65. .854 1. ,00 0. .00 ATOM 2779 OH2 H20 536 25. .179 -8, .028 64. .357 1. ,00 22. .68 ATOM 2780 HI H20 536 25. .799 -8, .497 63. .785 1. ,00 0. .00 ATOM 2781 H2 H20 536 24. .887 -7. .298 63. .794 1. ,00 0. ,00 ATOM 2782 OH2 H20 537 -1. .848 9. .665 51. .881 1. ,00 19. ,01 ATOM 2783 HI H20 537 -2. .268 8. .825 51. .657 1. ,00 0. ,00 ATOM 2784 H2 H20 537 -2. .023 9. .739 52. .829 1. ,00 0. .00 ATOM 2785 OH2 H20 538 20. .606 -24, .004 46, .721 1. ,00 48. .06 ATOM 2786 HI H20 538 19. .935 -24, .681 46. .905 1. .00 0. .00 ATOM 2787 H2 H20 538 21. .387 -24. .399 47. .126 1. ,00 0. .00 ATOM 2788 OH2 H20 539 -6. .036 -10. .488 42. .753 1. ,00 24. .63 ATOM 2789 HI H20 539 -6. .570 -11. .253 42. .552 1. ,00 0. ,00 ATOM 2790 H2 H20 539 -5. .637 -10, .712 43, .597 1. .00 0. .00 ATOM 2791 OH2 H20 540 20. .360 12, .924 50, .060 1. .00 44. .45 ATOM 2792 HI H20 540 20. .542 13, .863 50, .173 1. .00 0. .00 ATOM 2793 H2 H20 540 20. .438 12, .583 50, .953 1. .00 0. .00 ATOM 2794 OH2 H20 541 -5. .385 -8, .053 62. .249 1. .00 38. .68 ATOM 2795 HI H20 541 -5. .543 -7 .543 63 .043 1. .00 0, .00 ATOM 2796 H2 H20 541 -5, .697 -7 .436 61, .567 1. .00 0, .00 ATOM 2797 OH2 H20 542 -0, .772 18 .789 49 .390 1. .00 42, .13 ATOM 2798 HI H20 542 -1, .284 18 .533 50 .147 1, .00 0 .00 ATOM 2799 H2 H20 542 -1, .010 18 .089 48 .776 1, .00 0, .00 ATOM 2800 OH2 H20 543 5, .290 26 .308 37 .785 1, .00 44 .00 ATOM 2801 HI H20 543 5 .875 26 .038 38 .496 1 .00 0 .00 ATOM 2802 H2 H20 543 5 .853 26 .326 37 .011 1 .00 0 .00 222 ATOM 2803 OH2 H20 544 ■ 13.634 -13.651 50.337 1.00 32.32 ATOM 2804 HI H20 544 • 13, .622 -14 .594 50 .588 1 .00 0 .00 ATOM 2805 H2 H20 544 •14 .365 -13 .576 49 .736 1 .00 0 .00 ATOM 2806 OH2 H20 545 6 .675 4 .419 46 .648 1, .00 30, .02 ATOM 2807 HI H20 545 7 .290 4 .690 47 .341 1, .00 0 .00 ATOM 2808 H2 H20 545 6 .944 3 .519 46 .428 1. .00 0, .00 ATOM 2809 OH2 H20 546 • 19, .308 6 .081 75 .052 1, .00 51, .03 ATOM 2810 HI H20 546 ■ 19, .538 6 .138 74 .117 1, .00 0 .00 ATOM 2811 H2 H20 546 ■ 18. .372 5, .871 75 .036 1. .00 0, .00 ATOM 2812 OH2 H20 547 -0, .121 9 .589 22 .739 1, .00 39, .87 ATOM 2813 HI H20 547 0. .690 10, .066 22, .559 1. .00 0. .00 ATOM 2814 H2 H20 547 -0, .740 10, .279 23. .010 1. .00 0, .00 ATOM 2815 OH2 H20 549 21. .186 -9, .641 52. .393 1. .00 33. .61 ATOM 2816 HI H20 549 ■ 21. .706 -9, .261 51, .676 1. .00 0. .00 ATOM 2817 H2 H20 549 20. .925 -10. .499 52. .022 1. .00 0. .00 ATOM 2818 OH2 H20 550 19. .368 -9, .513 74, .224 1. .00 42. .38 ATOM 2819 HI H20 550 19. .314 -8, .555 74, .189 1. .00 0. .00 ATOM 2820 H2 H20 550 18. .853 -9, .794 73. .467 1. .00 0. .00 ATOM 2821 OH2 H20 551 29. .465 1, .964 65, .682 1. .00 30. .82 ATOM 2822 HI H20 551 28. .568 1, .698 65. .445 1. .00 0. .00 ATOM 2823 H2 H20 551 29. .959 1. .156 65. .517 1. .00 0. .00 ATOM 2824 OH2 H20 552 11. .132 -14. .092 61. .004 1. .00 44. .69 ATOM 2825 HI H20 552 11. .162 -13, .825 60. .080 1. .00 0. .00 ATOM 2826 H2 H20 552 10. .792 -14. .983 60. .930 1. .00 0. .00 ATOM 2827 OH2 H20 553 15. .549 7, .780 43. .275 1. .00 41. .22 ATOM 2828 HI H20 553 16. .001 7. .569 42. .453 1. ,00 0. .00 ATOM 2829 H2 H20 553 15. .451 8. .759 43. .198 1. .00 0. .00 ATOM 2830 OH2 H20 554 -6. .955 -6, .005 57. .945 1. .00 42. .99 ATOM 2831 HI H20 554 -6. .261 -6. .655 58. .193 1. .00 0. .00 ATOM 2832 H2 H20 554 -6. .769 -5. .912 57. .007 1. .00 0, .00 ATOM 2833 OH2 H20 555 26. .977 -3. .406 67. .817 1. .00 32. .14 ATOM 2834 HI H20 555 26. .901 -2. .533 67. .411 1. .00 0. .00 ATOM 2835 H2 H20 555 26. .567 -3. .960 67. .122 1. ,00 0. .00 ATOM 2836 OH2 H20 556 28. .411 -2. .810 64. .708 1. .00 30. .05 ATOM 2837 HI H20 556 28. ,703 -3. .042 65. .597 1. ,00 0. .00 ATOM 2838 H2 H20 556 27. .572 -2. .359 64. .889 1. .00 0. .00 ATOM 2839 OH2 H20 557 -3. ,769 0. .192 55. .470 1. ,00 36. .92 ATOM 2840 HI H20 557 -3. ,997 0. .505 54. .588 1. .00 0. .00 ATOM 2841 H2 H20 557 -4. .594 0. .325 55. .939 1. .00 0. .00 - 223 ATOM 2842 OH2 H20 558 18..369 11,.227 49..122 1..00 40..83 ATOM 2843 HI H20 558 19. .062 11. .911 49, .168 1. .00 0. .00 ATOM 2844 H2 H20 558 18. .590 10, .704 49, .898 1. .00 0. .00 ATOM 2845 OH2 H20 559 -5, .557 1, .430 51, .259 1. .00 37. .40 ATOM 2846 HI H20 559 -6. .379 0, .902 51. .227 1. .00 0. .00 ATOM 2847 H2 H20 559 -5. .811 2. .195 50. .750 1. .00 0. .00 ATOM 2848 OH2 H20 560 -1. .244 -1. .789 50. .252 1. .00 42. .03 ATOM 2849 HI H20 560 -1. .114 -2, .419 49. .540 1. .00 0. .00 ATOM 2850 H2 H20 560 -0. .486 -1. .214 50. .163 1. .00 0. .00 ATOM 2851 OH2 H20 561 13. .464 -16. .412 50. .896 1. .00 40. .41 ATOM 2852 HI H20 561 13. .891 -17. .167 51. .314 1. ,00 0. .00 ATOM 2853 H2 H20 561 12. .907 -16. .874 50. .251 1. ,00 0. .00 ATOM 2854 OH2 H20 563 8. .297 7. .021 48. .013 1. ,00 45. .26 ATOM 2855 HI H20 563 9. .196 6. .664 48. .079 1. ,00 0. .00 ATOM 2856 H2 H20 563 8. .400 7. .891 48. .412 1. ,00 0. .00 ATOM 2857 OH2 H20 569 18. .672 9. .411 70. .985 1. ,00 42. ,69 ATOM 2858 HI H20 569 18. .454 10. .301 70. .720 1. .00 0. .00 ATOM 2859 H2 H20 569 19. .299 9. .181 70. .297 1. ,00 0. ,00 ATOM 2860 OH2 H20 570 -4. .013 16. .605 50. .811 1. ,00 50. .36 ATOM 2861 HI H20 570 -3. .642 15. .998 51. .464 1. 00 0. ,00 ATOM 2862 H2 H20 570 -4. .727 17. .023 51. .309 1. ,00 0. .00 ATOM 2863 OH2 H20 572 -6. .268 16. .662 44. .180 1. .00 24. .25 ATOM 2864 HI H20 572 -6. .777 16. .796 45. .000 1. .00 0. .00 ATOM 2865 H2 H20 572 -5. .615 17. .379 44. .261 1. ,00 0. .00 ATOM 2866 OH2 H20 573 18. .387 -26. .644 47. .160 1. ,00 49. .62 ATOM 2867 HI H20 573 17. .586 -26, .570 46. .621 1. .00 0, .00 ATOM 2868 H2 H20 573 18. .382 -27, .600 47. .318 1. .00 0, .00 ATOM 2869 OH2 H20 574 11. .225 -10, .882 43, .386 1. .00 28, .82 ATOM 2870 HI H20 574 12. .100 -10, .489 43, .454 1. .00 0 .00 ATOM 2871 H2 H20 574 11. .400 -11. .765 43. .056 1. .00 0 .00 ATOM 2872 OH2 H20 575 -7, .241 6, .911 24, .257 1, .00 46 .54 ATOM 2873 HI H20 575 -6, .378 7, .294 24, .478 1, .00 0 .00 ATOM 2874 H2 H20 575 -7. .127 6 .659 23, .334 1 .00 0 .00 ATOM 2875 OH2 H20 576 -2. .732 3 .489 69 .646 1, .00 35 .00 ATOM 2876 HI H20 576 -2 .509 3 .272 68 .740 1 .00 0 .00 ATOM 2877 H2 H20 576 -3 .201 4 .317 69 .547 1 .00 0 .00 ATOM 2878 OH2 H20 577 -1 .004 -5 .395 42 .848 1 .00 31 .83 ATOM 2879 HI H20 577 -1 .718 -5 .183 42 .244 1 .00 0 .00 ATOM 2880 H2 H20 577 -0 .242 -5 .437 42 .261 1 .00 0 .00 - 224 ATOM 2881 OH2 H20 579 2.618 6.038 53.054 1.00 53.16 ATOM 2882 HI H20 579 2 .206 5 .196 53 .266 1 .00 0 .00 ATOM 2883 H2 H20 579 3 .530 5 .782 52 .875 1 .00 0 .00 ATOM 2884 OH2 H20 580 -3 .109 1 .708 61 .212 1 .00 32 .77 ATOM 2885 HI H20 580 -4 .013 1 .787 61 .547 1 .00 0 .00 ATOM 2886 H2 H20 580 -3 .145 2 .263 60 .427 1 .00 0 .00 ATOM 2887 OH2 H20 581 ■ 15 .517 7 .216 36 .498 1 .00 45, .24 ATOM 2888 HI H20 581 ■ 14 .609 7 .036 36 .239 1 .00 0, .00 ATOM 2889 H2 H20 581 15 .977 6, .404 36 .259 1, .00 0, .00 ATOM 2890 OH2 H20 582 4 .831 21 .847 47 .571 1 .00 53, .78 ATOM 2891 HI H20 582 5, .295 22, .312 46 .821 1, .00 0. .00 ATOM 2892 H2 H20 582 5 .264 20, .951 47 .474 1, .00 0, .00 ATOM 2893 OH2 H20 583 -7. .370 -2, .505 28, .449 1. .00 43. .85 ATOM 2894 HI H20 583 -7 .859 -2, .031 27 .773 1. .00 0. .00 ATOM 2895 H2 H20 583 -8. .070 -2, .637 29, .095 1, .00 0. .00 ATOM 2896 OH2 H20 584 11, .021 8, .553 47 .239 1, .00 55. .00 ATOM 2897 HI H20 584 11, .035 9. .388 47, .727 1. .00 0. .00 ATOM 2898 H2 H20 584 11, .358 8, .841 46. .355 1. .00 0. .00 ATOM 2899 OH2 H20 585 13. .463 4. .859 41, .287 1. .00 51. .26 ATOM 2900 HI H20 585 13. .880 5. .285 42. .041 1. .00 0. .00 ATOM 2901 H2 H20 585 12. .578 5. .274 41. .218 1. .00 0. .00 ATOM 2902 OH2 H20 586 21. .459 -21. .141 46. .452 1. .00 38. .96 ATOM 2903 HI H20 586 20. .860 -20. .849 47, .150 1. .00 0. .00 ATOM 2904 H2 H20 586 21. .155 -22. .070 46. .366 1. .00 0. .00 ATOM 2905 OH2 H20 587 9, .552 9. .085 29. .404 1. .00 21. .31 ATOM 2906 HI H20 587 10. .017 9. .328 28. .595 1. .00 0. .00 ATOM 2907 H2 H20 537 8. .874 8. .487 29. .061 1. .00 0. .00 ATOM 2908 OH2 H20 588 18. .589 16. .079 53. .026 1. .00 47. .95 ATOM 2909 HI H20 588 17. .885 16. .496 53. .527 1. .00 0. .00 ATOM 2910 H2 H20 588 18. .406 15. .135 53. .154 1. .00 0. .00 ATOM 2911 OH2 H20 589 11. .877 9. .205 44. .689 1. .00 37. .00 ATOM 2912 HI H20 589 12. .160 9. .585 43. .847 1. .00 0. .00 ATOM 2913 H2 H20 589 12. .543 8. .490 44. .824 1. .00 0. .00 ATOM 2914 OH2 H20 592 26. .188 -5. .587 57. .097 1. .00 33. .07 ATOM 2915 HI H20 592 26. .971 -5. .989 57. .502 1. .00 0. .00 ATOM 2916 H2 H20 592 26. .094 -4. .777 57. .619 1. .00 0. .00 ATOM 2917 OH2 H20 593 12. ,898 10. .911 38. .656 1. ,00 46. .97 ATOM 2918 HI H20 593 12. .354 10. .108 38. .666 1. .00 0. .00 ATOM 2919 H2 H20 593 13. .273 10. .940 39. .540 1. ,00 0. .00 225 ATOM 2920 OH2 H20 594 -2..882 16..968 48,.295 1..00 30..83 ATOM 2921 HI H20 594 -3. .396 17. .749 48. .079 1. .00 0. .00 ATOM 2922 H2 H20 594 -3. .313 16. .697 49. .134 1. .00 0. .00 ATOM 2923 OH2 H20 595 13. .656 7. .244 45. .221 1. .00 39. .29 ATOM 2924 HI H20 595 14. .189 7. .235 44. .397 1. .00 0. .00 ATOM 2925 H2 H20 595 14. .368 7, .167 45. .864 1. .00 0. .00 ATOM 2926 OH2 H20 596 10. .754 5. .887 46. .780 1. .00 58. .01 ATOM 2927 HI H20 596 10. .942 6. .831 46. .995 1. .00 0. .00 ATOM 2928 H2 H20 596 11. .653 5. .535 46. ,772 1. .00 0. .00 ATOM 2929 OH2 H20 597 8. .570 -1. .874 32. .277 1. .00 42. .55 ATOM 2930 HI H20 597 8. .461 -2. .699 31. ,792 1. .00 0. .00 ATOM 2931 H2 H20 597 7. .661 -1. .660 32. .512 1. .00 0. .00 ATOM 2932 OH2 H20 598 15. .043 10. .456 42. .923 1. .00 62. .88 ATOM 2933 HI H20 598 14. .279 10. .904 43. .307 1. .00 0. .00 ATOM 2934 H2 H20 598 15. .457 11. .173 42. .429 1. .00 0. .00 ATOM 2935 OH2 H20 599 15. .660 0. .506 40. .466 1. .00 47. .74 ATOM 2936 HI H20 599 16. .222 0. .052 39. .836 1. .00 0. .00 ATOM 2937 H2 H20 599 15. .144 1. .096 39. .903 1. .00 0. .00 ATOM 2938 OH2 H20 601 10. .395 0. .423 33. .259 1. .00 37. .60 ATOM 2939 HI H20 601 10. .006 0. .653 34. .105 1. .00 0, .00 ATOM 2940 H2 H20 601 9. .821 -0. .291 32. .928 1. .00 0. .00 ATOM 2941 OH2 H20 602 -8. .774 4. .671 74. .569 1. .00 26. .62 ATOM 2942 HI H20 602 -8. .038 4, .434 75. .158 1. .00 0, .00 ATOM 2943 H2 H20 602 -8. .979 3. .782 74. .258 1. .00 0, .00 ATOM 2944 OH2 H20 603 17. .104 -12, .783 62, .725 1. .00 37 .86 ATOM 2945 Kl H20 603 16. .954 -13, .496 62, .099 1. .00 0, .00 ATOM 2946 H2 H20 603 16. .217 -12. .397 62. .806 1, .00 0, .00 ATOM 2947 OH2 H20 604 18, .900 -20, .100 39, .570 1, .00 34 .28 ATOM 2948 HI H20 604 18. .978 -19, .931 40, .517 1, .00 0 .00 ATOM 2949 H2 H20 604 19, .834 -20 .252 39 .318 1 .00 0 .00 ATOM 2950 OH2 H20 605 -5, .985 -5 .412 60 .745 1. .00 36 .79 ATOM 2951 HI H20 605 -5, .650 -4 .512 60 .798 1. .00 0 .00 ATOM 2952 H2 H20 605 -6 .609 -5 .357 60 .001 1 .00 0 .00 ATOM 2953 OH2 H20 606 -7 .708 -2 .084 36 .092 1 .00 21 .56 ATOM 2954 HI H20 606 -6 .902 -1 .784 35 .650 1 .00 0 .00 ATOM 2955 H2 H20 606 -8 .190 -1 .262 36 .233 1 .00 0 .00 ATOM 2956 OH2 H20 608 -3 .614 10 .212 57 .878 1 .00 65 .19 ATOM 2957 HI H20 608 -3 .452 9 .262 57 .744 1 .00 0 .00 ATOM 2958 H2 H20 608 -3 .027 10 .425 58 .606 1 .00 0 .00 226 - ATOM 2959 OH2 H20 609 -3.860 23.973 29.811 1.00 50.06 ATOM 2960 HI H20 609 -3 .959 23 .569 28 .947 1 .00 0 .00 ATOM 2961 H2 H20 609 -4 .765 24 .102 30 .103 1 .00 0 .00 ATOM 2962 OH2 H20 610 ■ 14 .484 -29 .114 38 .149 1 .00 37 .42 ATOM 2963 HI H20 610 ■ 13 .947 -29 .402 38 .898 1, .00 0 .00 ATOM 2964 H2 H20 610 ■ 15 .333 -29 .510 38 .352 1 .00 0 .00 ATOM 2965 OH2 H20 611 • 21 .240 -8 .832 55 .096 1. .00 28, .35 ATOM 2966 HI H20 611 ■ 21 .322 -9 .290 54 .233 1, .00 0, .00 ATOM 2967 H2 H20 611 •21 .978 -8 .198 55 .041 1, .00 0, .00 ATOM 2968 OH2 H20 612 ■ 28, .312 0 .830 71 .261 1. .00 57, .03 ATOM 2969 HI H20 612 ■ 27, .631 0 .653 70 .617 1. .00 0, .00 ATOM 2970 H2 H20 612 ■ 28 .949 0 .130 71 .091 1, .00 0, .00 ATOM 2971 OH2 H20 613 ■ 12, .785 13 .825 37 .299 1. .00 58, .02 ATOM 2972 HI H20 613 • 13. .581 13. .348 37, .068 1. .00 0. .00 ATOM 2973 H2 H20 613 ■ 12. .320 13. .191 37, .859 1. .00 0. .00 ATOM 2974 OH2 H20 614 26. .951 9. .367 64. .841 1. .00 44. .43 ATOM 2975 HI H20 614 ■ 27, .479 9 .463 64, .039 1. .00 0, .00 ATOM 2976 H2 H20 614 •27. .225 10, .150 65, .326 1. .00 0, .00 ATOM 2977 OH2 H20 615 0. .669 -5, .217 31, .942 1. .00 34. .30 ATOM 2978 HI H20 615 1. .054 -5, .954 32. .433 1. .00 0. .00 ATOM 2979 H2 H20 615 -0. .020 -5, .664 31. .430 1. ,00 0. .00 ATOM 2980 OH2 H20 616 ■ 21. .268 -20, .889 38. .280 1. .00 52. .02 ATOM 2981 HI H20 616 ■ 20. .821 -20, .660 37. .462 1. .00 0. .00 ATOM 2982 H2 H20 616 ■ 21. .549 -21, .801 38. .127 1. .00 0. .00 ATOM 2983 OH2 H20 617 12. .839 10, .577 73. .997 1. .00 32. .65 ATOM 2984 HI H20 617 ■ 13. .386 10, .619 73, .198 1. .00 0, .00 ATOM 2985 H2 H20 617 ■ 12. .500 9, .678 73, .936 1. .00 0. .00 ATOM 2986 OH2 H20 618 16. .254 12. .102 64. .699 1. .00 39. .97 ATOM 2987 HI H20 618 16. .278 12. .774 65. .388 1. .00 0. .00 ATOM 2988 H2 H20 618 16. .940 12. .440 64. .106 1. .00 0. .00 ATOM 2989 OH2 H20 619 0. .609 7, .758 53. .655 1. .00 59. .42 ATOM 2990 HI H20 619 1. .450 7, .256 53. .684 1. .00 0. .00 ATOM 2991 H2 H20 619 0. .683 8. .342 54. .416 1. ,00 0. .00 ATOM 2992 OH2 H20 620 -4. .989 -8. .010 58. .309 1. ,00 38. .58 ATOM 2993 HI H20 620 -5. .068 -8, .214 59. .248 1. .00 0, .00 ATOM 2994 H2 H20 620 -4. .822 -8. .893 57. .952 1. .00 0, .00 ATOM 2995 OH2 H20 621 26. .221 -7. .530 53. .875 1. .00 52. .25 ATOM 2996 HI H2θ 621 25. .549 -8. .202 53. .730 1. ,00 0. .00 ATOM 2997 H2 H20 621 26. .714 -7. .882 54. .627 1. ,00 0. .00 - 227 - ATOM 2998 OH2 H20 622 ■ 28,.638 3.741 68.846 1.00 59.40 ATOM 2999 HI H20 622 28, .605 3 .555 69, .794 1, .00 0 .00 ATOM 3000 H2 H20 622 28. .709 2 .848 68, .480 1, .00 0 .00 ATOM 3001 OH2 H20 623 -2, .090 21, .292 26, .341 1. .00 57 .48 ATOM 3002 HI H20 623 -1, .329 21, .457 26, .918 1, .00 0 .00 ATOM 3003 H2 H20 623 -1. .757 21, .533 25. .471 1. .00 0 .00 ATOM 3004 OH2 H20 624 2. .746 10, .956 28. .128 1. .00 62, .18 ATOM 3005 HI H20 624 2. .977 11, .822 27. .786 1. .00 0 .00 ATOM 3006 H2 H20 624 1. .817 10, .899 27. .885 1. .00 0. .00 ATOM 3007 OH2 H20 625 21, .125 -12, .685 57. .962 1. .00 56, .36 ATOM 3008 HI H20 625 22. .032 -12. .954 57. .802 1. .00 0, .00 ATOM 3009 H2 H20 625 21. .176 -11. .723 57. .883 1. .00 0, .00 ATOM 3010 OH2 H20 626 -3. .498 0, .232 28. .222 1. .00 45, .90 ATOM 3011 HI H20 626 -3. .396 -0, .544 28. .792 1. .00 0, .00 ATOM 3012 H2 H20 626 -4. .076 -0, .127 27. .533 1. .00 0, .00 ATOM 3013 OH2 H20 627 -6. .243 -1, .618 39. .632 1. .00 33, .00 ATOM 3014 HI H20 627 -6. .546 -0. .718 39. .813 1. .00 0. .00 ATOM 3015 H2 H20 627 -6. .989 -2, .019 39. .186 1. .00 0, .00 END *Note: See copyright notice on page 1. - 228 Appendix III: Coordinates for the 3D structure of ZAP-NC :zl "dimer" structure (two moleucles of complex per unit cell)* REMARK FILENAME ** * "tzape-zetal-reb7- at-slo . pdb" REMARK TOPH19.pep -MACRO for protein sequence created by user: marcos ATOM 1 CB ASP 3 3.023 -3.462 13.100 1.00 13.09 ATOM 2 CG ASP 3 3.616 -2.223 12.417 1.00 20.07 A ATTOOMM 3 3 O ODDII A ASSPP 3 3 3.875 -2.263 11.212 1.00 23.94 ATOM 4 OD2 ASP 3 3.795 -1.198 13.066 1.00 20.96 ATOM 5 C ASP 3 3.125 -2.930 15.585 1.00 11.37 ATOM 6 O ASP 3 1.915 -2.908 15.816 1.00 14.62 ATOM 7 HT1 ASP 3 1.919 -4.746 15.191 1.00 0.00 A ATTOOMM 8 8 H HTT22 A ASSPP 3 3 3.317 -5.471 15.778 1.00 0.00 ATOM 9 N ASP 3 2.872 -5.087 14.923 1.00 17.39 ATOM 10 HT3 ASP 3 2.808 -5.797 14.172 1.00 0.00 ATOM 11 CA ASP 3 3.564 -3.885 14.482 1.00 13.78 ATOM 12 N PRO 4 3.958 -2.177 16.299 1.00 6.97 A ATTOOMM 1 133 C CDD P PRROO 4 4 5.405 -2.209 16.150 1.00 10.48 ATOM 14 CA PRO 4 3.556 -1.192 17.314 1.00 10.28 ATOM 15 CB PRO 4 4.853 -0.568 17.733 1.00 9.59 ATOM 16 CG PRO 4 5.881 -1.611 17.455 1.00 10.34 ATOM 17 C PRO 4 2.524 -0.151 16.856 1.00 12.09 A ATTOOMM 1 188 0 O P PRROO 4 4 1.665 0.351 17.601 1.00 15.40 ATOM 19 N ALA 5 2.568 0.146 15.556 1.00 14.44 ATOM 20 H ALA 5 3.317 -0.168 15.008 1.00 0.00 ATOM 21 CA ALA 5 1.662 1.120 14.996 1.00 11.85 ATOM 22 CB ALA 5 2.291 1.818 13.819 1.00 11.48 A ATTOOMM 2 233 C C A ALLAA 5 5 0.348 0.580 14.532 1.00 12.81 ATOM 24 0 ALA 5 -0.543 1.361 14.246 1.00 14.41 ATOM 25 N ALA 6 0.126 -0.726 14.574 1.00 10.58 ATOM 26 H ALA 6 0.778 -1.310 15.006 1.00 0.00 ATOM 27 CA ALA 6 -1.089 -1.294 14.028 1.00 14.14 A ATTOOMM 2 288 C CBB A ALLAA 6 6 -1.098 -2.784 14.300 1.00 16.49 ATOM 29 C ALA 6 -2.394 -0.721 14.540 1.00 16.09 ATOM 30 O ALA 6 -3.390 -0.608 13.844 1.00 21.55 ATOM 31 N HIS 7 -2.376 -0.363 15.806 1.00 17.76 ATOM 32 H HIS 7 -1.541 -0.482 16.284 1.00 0.00 - 229 - ATOM 33 CA HIS 7 3.533 0.171 16.488 .00 16.60 ATOM 34 CB HIS 7 ■ 3 .352 -0 .066 18 .009 1. .00 22 .31 ATOM 35 CG HIS 7 2 .219 0 .769 18 .644 1 .00 27 .59 ATOM 36 CD2 HIS 7 2 .489 1 .750 19 .576 1. .00 28, .93 ATOM 37 NDI HIS 7 0 .885 0, .783 18 .461 1, .00 25, .24 ATOM 38 HD1 HIS 7 0, .298 0, .154 17 .994 1, .00 0, .00 ATOM 39 CEI HIS 7 0, .376 1, .717 19 .227 X. .00 28, .14 ATOM 40 NE2 HIS 7 1, .347 2, .282 19 .884 1. .00 26. .99 ATOM 41 HE2 HIS 7 1, .204 2, .905 20 .638 1. .00 0. .00 ATOM 42 C HIS 7 3, .741 1. .658 16, .209 1. .00 13. .37 ATOM 43 O HIS 7 4. .720 2. .243 16, .644 1. .00 14. .49 ATOM 44 N LEU 8 2. .817 2. .341 15, .557 1. .00 10. .78 ATOM 45 H LEU 8 2. .221 1. .861 14, .946 1. .00 0. .00 ATOM 46 CA LEU 8 2. .871 3. .783 15, .423 1. .00 7. .84 ATOM 47 CB LEU 8 1. .436 4. .278 15, .161 1. .00 6. .56 ATOM 48 CG LEU 8 0. .575 4. .915 16, .234 1. .00 3. .50 ATOM 49 CDl LEU 8 1. .174 4. .730 17. .610 1. .00 6. .85 ATOM 50 CD2 LEU 8 0. .801 4. .382 16. .098 1. .00 2. .00 ATOM 51 C LEU 8 3. .808 4. .079 14. .265 1. .00 8. .93 ATOM 52 O LEU 8 3. .580 3. .600 13. .154 1. .00 10. .23 ATOM 53 N PRO 9 4. .863 4. .873 14. .434 1. .00 9. .86 ATOM 54 CD PRO 9 5. .197 5. .551 15. .693 1. .00 9. .32 ATOM 55 CA PRO 9 5. .849 5. .081 13. .389 1. .00 8. .41 ATOM 56 CB PRO 9 6. .966 5. .752 14. .144 1. .00 10. .72 ATOM 57 CG PRO 9 6. .309 6. .490 15. .289 1. .00 11. .80 ATOM 58 C PRO 9 5. .355 5. .835 12, .149 1. .00 12. .47 ATOM 59 O PRO 9 6. .026 5. .867 11, .110 1. .00 18. .23 ATOM 60 N PHE 10 4. .162 6. .430 12. .259 1. .00 9. .59 ATOM 61 H PHE 10 3. .692 6. .342 13. .107 1. .00 0, .00 ATOM 62 CA PHE 10 3. .498 7. .181 11. .203 1. .00 7. .32 ATOM 63 CB PHE 10 3. .024 8. .538 11. .737 1. .00 4. .10 ATOM 64 CG PHE 10 2. .321 8. .453 13, .094 1. .00 4, .21 ATOM 65 CDl PHE 10 0, .943 8. .232 13, .179 1. .00 4. .43 ATOM 66 CD2 PHE 10 3, .058 8. .624 14, .267 1. .00 2, .00 ATOM 67 CEI PHE 10 0, .301 8, .182 14, .416 1. .00 2, .00 ATOM 68 CE2 PHE 10 2, .417 8, .580 15, .500 1, .00 2 .51 ATOM 69 CZ PHE 10 1, .047 8, .362 15. .583 1, .00 2 .00 ATOM 70 C PHE 10 2 .294 6, .405 10 .696 1, .00 7 .70 ATOM 71 O PHE 10 ■ 1. .349 7 .007 10 .175 1, .00 7 .52 - 230 - ATOM 72 N PHE 11 -2.224 5.088 10.921 1.00 6.80 ATOM 73 H PHE 11 -2.965 4 .597 11 .332 1 .00 0 .00 ATOM 74 CA PHE 11 -1.120 4 .299 10 .415 1 .00 7 .59 ATOM 75 CB PHE 11 -0.705 3 .238 11 .425 1 .00 5 .71 ATOM 76 CG PHE 11 0.248 2 .165 10 .884 1 .00 7 .61 ATOM 77 CDl PHE 11 1.519 2 .510 10 .393 1 .00 2 .06 ATOM 78 CD2 PHE 11 -0.165 0 .821 10 .874 1 .00 2 .94 ATOM 79 CEI PHE 11 2.370 1 .522 9 .895 1 .00 2 .00 ATOM 80 CE2 PHE 11 0.700 -0 .160 10 .373 1 .00 3 .03 ATOM 81 CZ PHE 11 1.962 0 .191 9 .888 1 .00 4 .25 ATOM 82 C PHE 11 -1.686 3 .663 9 .154 1 .00 7 .98 ATOM 83 O PHE 11 -2.784 3 .126 9 .188 1 .00 9 .38 ATOM 84 N TYR 12 -1.000 3 .774 8 .025 1 .00 4, .03 ATOM 85 H TYR 12 -0.170 4 .294 8 .022 1 .00 0 .00 ATOM 86 CA TYR 12 -1.522 3 .259 6 .774 1, .00 7 .69 ATOM 87 CB TYR 12 -1.455 4 .329 5, .714 1, .00 4, .20 ATOM 88 CG TYR 12 -2.582 5 .340 5. .795 1, .00 3, .37 ATOM 89 CDl TYR 12 -2.543 6, .332 6, .766 1. .00 2. .00 ATOM 90 CEI TYR 12 -3.532 7, .297 6. .818 1. .00 2. .00 ATOM 91 CD2 TYR 12 -3.617 5, .301 4, .872 1. .00 2. .00 ATOM 92 CE2 TYR 12 -4.609 6, .269 4. .918 1. .00 3. .76 ATOM 93 CZ TYR 12 -4.557 7, .263 5. .891 1. .00 5. .13 ATOM 94 OH TYR 12 -5.521 8. .242 5. .911 1. .00 6. .92 ATOM 95 HH TYR 12 -5.379 8. .771 6. .713 1. ,00 0. .00 ATOM 96 C TYR 12 -0.793 2. .041 6. .249 1. ,00 10. .10 ATOM 97 O TYR 12 -1.154 1. .494 5. .206 1. ,00 10. .16 ATOM 98 N GLY 13 0.290 1. .623 6. .899 1. ,00 4. .96 ATOM 99 H GLY 13 0.676 2. .192 7. .592 1. ,00 0. .00 ATOM 100 CA GLY 13 0.993 0. .444 6. ,465 1. 00 5. ,01 ATOM 101 C GLY 13 1.962 0. .782 5. ,361 1. 00 9. 03 ATOM 102 O GLY 13 2.466 1. ,911 5. ,324 1. 00 9. ,88 ATOM 103 N SER 14 2.248 -0. ,181 4. 484 1. 00 6. 75 ATOM 104 H SER 14 1.835 -1. .069 4. ,566 1. 00 0. ,00 ATOM 105 CA SER 14 3.216 -0. ,042 3. ,425 1. 00 6. ,38 ATOM 106 CB SER 14 3.761 -1. 433 3. 160 1. 00 12. 45 ATOM 107 OG SER 14 4.042 -2. ,137 4. 368 1. 00 14. 84 ATOM 108 HG SER 14 4.988 -2. 032 4. 504 1. 00 0. 00 ATOM 109 C SER 14 2.646 0. 592 2. 163 1. 00 9. 03 ATOM 110 O SER 14 2.597 -0. 003 1. 083 1. 00 6. 91 231 ATOM 111 N ILE 15 2.120 1.812 2.312 .00 12..05 ATOM 112 H ILE 15 2 .188 2 .238 3, .193 1. .00 0. .00 ATOM 113 CA ILE 15 1 .610 2 .588 1 .187 X. .00 4, .84 ATOM 114 CB ILE 15 0 .538 3 .627 1, .605 1. .00 6. .22 ATOM 115 CG2 ILE 15 -0, .680 2 .860 2, .116 1. .00 2. .00 ATOM 116 CGI ILE 15 1, .075 4, .612 2, .629 1. .00 4. .45 ATOM 117 CD ILE 15 0, .057 5, .720 2, .801 1. .00 2. .00 ATOM 118 C ILE 15 2, .798 3, .326 0. .597 1. .00 4. .88 ATOM 119 O ILE 15 3, .861 3, .382 1, .221 .00 9. .72 ATOM 120 N SER 16 2. .707 3, .871 -0, .603 1. .00 2. .18 ATOM 121 H SER 16 1. .875 3, .823 -1. .116 1. .00 0. .00 ATOM 122 CA SER 16 3. .788 4. .641 -1. .154 1. .00 2. .42 ATOM 123 CB SER 16 3. .704 4. .505 -2. .673 1. .00 8. ,87 ATOM 124 OG SER 16 2. .388 4. .754 -3. .152 1. ,00 3. ,44 ATOM 125 HG SER 16 2. .047 3. .891 -3. .426 1. ,00 0. .00 ATOM 126 C SER 16 3. .687 6. .106 -0. .714 1. ,00 2. .00 ATOM 127 O SER 16 2. .675 6, .502 -0, .132 1. .00 2. .00 ATOM 128 N ARG 17 4. .699 6, .935 -0. .968 1. .00 2. .93 ATOM 129 H ARG 17 5. .537 6. .524 -1. .277 1. .00 0. .00 ATOM 130 CA ARG 17 4. .648 8. .381 -0. .757 1. .00 7. .56 ATOM 131 CB ARG 17 5. .924 9. .017 -1. .273 1. .00 6. .05 ATOM 132 CG ARG 17 5. .862 10. .510 -1. .338 1. .00 5. .21 ATOM 133 CD ARG 17 7. .154 11. .123 -1. .775 1. .00 3. .35 ATOM 134 NE ARG 17 8. .227 10. .897 -0, .825 1. .00 4, .91 ATOM 135 HE ARG 17 8. .208 10, .065 -0, .338 1. .00 0, .00 ATOM 136 CZ ARG 17 9. .140 11, .829 -0, .522 1. .00 4, .06 ATOM 137 NHI ARG 17 9. .090 13. .040 -1. .078 1. .00 11. .79 ATOM 138 HH11 ARG 17 8. .351 13. .280 -1, .704 1. .00 0, .00 ATOM 139 HHl2 ARG 17 9. .767 13. .730 -0, .827 1. .00 0, .00 ATOM 140 NH2 ARG 17 10. .160 11. .543 0, .279 1. .00 2, .00 ATOM 141 HH21 ARG 17 10. .267 10, .623 0, .648 1, .00 0 .00 ATOM 142 HH22 ARG 17 10. .826 12, .246 0, .515 1, .00 0 .00 ATOM 143 C ARG 17 3. .467 9, .007 -1 .478 1, .00 9 .96 ATOM 144 O ARG 17 2, .767 9 .855 -0 .912 1, .00 18 .22 ATOM 145 N ALA 18 3, .226 8 .597 -2 .725 1. .00 8 .79 ATOM 146 H ALA 18 3, .866 7 .978 -3 .146 1 .00 0 .00 ATOM 147 CA ALA 18 2, .127 9 .126 -3 .517 1. .00 6 .30 ATOM 148 CB ALA 18 2 .157 8 .565 -4 .946 1. .00 6 .16 ATOM 149 C ALA 18 0 .752 8 .856 -2 .957 1 .00 6 .92 - 232 - ATOM 150 O ALA 18 -0.107 9.754 -2.973 1.00 7.53 ATOM 151 N GLU 19 0 .506 7 .652 -2 .443 1 .00 7 .90 ATOM 152 H GLU 19 1 .209 6 .967 -2 .446 1 .00 0 .00 ATOM 153 CA GLU 19 -0 .782 7 .381 -1 .814 1 .00 9 .39 ATOM 154 CB GLU 19 -0 .933 5 .916 -1 .471 1 .00 10 .49 ATOM 155 CG GLU 19 -2 .377 5 .601 -1 .128 1 .00 19 .14 ATOM 156 CD GLU 19 -2 .645 4 .173 -0 .680 1 .00 20 .65 ATOM 157 OEI GLU 19 -3 .479 3 .996 0 .201 1 .00 17 .14 ATOM 158 OE2 GLU 19 -2 .030 3 .243 -1 .201 1 .00 24 .68 ATOM 159 C GLU 19 -0 .919 8 .177 -0 .532 1 .00 3. .96 ATOM 160 O GLU 19 -2 .017 8 .678 -0 .270 1 .00 8 .60 ATOM 161 N ALA 20 0 .158 8 .264 0 .270 1 .00 7 .91 ATOM 162 H ALA 20 0 .966 7 .756 0, .027 1, .00 0, .00 ATOM 163 CA ALA 20 0 .211 9 .052 1 .508 1 .00 5 .76 ATOM 164 CB ALA 20 1 .649 9 .038 2, .045 1, .00 2, .00 ATOM 165 C ALA 20 -0 .241 10 .487 1, .209 1, .00 4, .60 ATOM 166 O ALA 20 -1, .206 10. .973 1. .808 1. .00 5. .16 ATOM 167 N GLU 21 0, .379 11. .097 0. .190 1. .00 4. .13 ATOM 168 H GLU 21 1, .116 10. .617 -0. .239 1. .00 0. .00 ATOM 169 CA GLU 21 0. .040 12. .416 -0. .312 1. .00 2. .10 ATOM 170 CB GLU 21 1. .020 12. .792 -1. .412 1. .00 4. .68 ATOM 171 CG GLU 21 2. .397 13. .047 -0. .773 1. ,00 2. .00 ATOM 172 CD GLU 21 3. .519 13. .499 -1. .669 1. .00 2. .00 ATOM 173 OEI GLU 21 4. .557 13. .853 -1. .142 1. ,00 5. ,32 ATOM 174 OE2 GLU 21 3. .407 13. .490 -2. ,883 1. ,00 13. ,97 ATOM 175 C GLU 21 -1. .380 12. .520 -0. ,818 1. ,00 6. ,29 ATOM 176 O GLU -2. .019 13. .528 -0. ,527 1. ,00 10. ,48 ATOM 177 N GLU 22 -1. .962 11. ,533 -1. 497 1. 00 8. 02 ATOM 178 H GLU 22 -1. .426 10. ,751 -1. ,745 1. ,00 0. ,00 ATOM 179 CA GLU 22 -3. ,372 11. ,572 -1. 859 1. 00 7. 52 ATOM 180 CB GLU 22 -3. .832 10. ,346 -2. 661 1. 00 7. 05 ATOM 181 CG GLU 22 -3. .392 10. 345 -4. 114 1. 00 14. 40 ATOM 182 CD GLU 22 -3. ,683 11. ,637 -4. 867 1. 00 8. ,48 ATOM 183 OEI GLU 22 -4. 835 11. 930 -5. 138 1. 00 9. 34 ATOM 184 OE2 GLU 22 -2. ,752 12. .353 -5. 183 1. 00 11. 08 ATOM 185 C GLU 22 -4. 273 11. 631 -0. 641 1. 00 6. 86 ATOM 186 O GLU 22 -5. 253 12. 378 -0. 613 1. 00 5. 32 ATOM 187 N HIS 23 -3. 959 10. 856 0. 392 1. 00 5. 94 ATOM 188 H HIS 23 -3. 140 10. 318 0. 345 1. 00 0. 00 - 233 ATOM 189 CA HIS 23 ■ 4.755 10.908 1.612 X.00 5.56 ATOM 190 CB HIS 23 ■ 4 .321 9 .773 2 .499 1 .00 2 .00 ATOM 191 CG HIS 23 ■ 4 .867 8 .436 2 .044 1 .00 2 .00 ATOM 192 CD2 HIS 23 •6 .203 8 .130 1 .947 1 .00 2, .00 ATOM 193 NDI HIS 23 ■ 4 .188 7 .361 1 .687 1. .00 3 .99 ATOM 194 HD1 HIS 23 ■ 3 .210 7 .263 1 .722 1 .00 0, .00 ATOM 195 CEI HIS 23 •5. .036 6. .418 1. .389 1. .00 4, .29 ATOM 196 NE2 HIS 23 ■ 6 .245 6 .892 1 .547 1. .00 2, .00 ATOM 197 HE2 HIS 23 7 .054 6, .418 1. .246 1. .00 0. .00 ATOM 198 C HIS 23 •4 .635 12, .252 2. .349 1, .00 4, .09 ATOM 199 O HIS 23 ■ 5 .626 12, .842 2, .795 1, .00 6. .37 ATOM 200 N LEU 24 ■ 3 , .421 12. .790 2. .458 1, .00 3. .53 ATOM 201 H LEU 24 • 2. .646 12. .264 2, .177 1. .00 0. .00 ATOM 202 CA LEU 24 3, .206 14, .085 3, .063 1. .00 5. .01 ATOM 203 CB LEU 24 • 1. .701 14, .303 3. .096 .00 2. .00 ATOM 204 CG LEU 24 • 0, .823 14. .200 4. .370 1. .00 6. .54 ATOM 205 CDl LEU 24 1. .454 13. .379 5. .465 X_ .00 7. .05 ATOM 206 CD2 LEU 24 0. .498 13. .624 3. .967 1. .00 2. .00 ATOM 207 C LEU 24 3. .973 15. .138 2. .252 1. .00 11. .01 ATOM 208 O LEU 24 4. .652 15. .982 2. .852 1. .00 10. .63 ATOM 209 N LYS 25 4. .000 15. .036 0. .904 1. .00 12. .49 ATOM 210 H LYS 25 3. .462 14. .341 0. .474 1. .00 0. .00 ATOM 211 CA LYS 25 4. .774 15. .932 0. .043 1. .00 7. .14 ATOM 212 CB LYS 25 4. .496 15. .670 -1. .428 1. .00 8. .00 ATOM 213 CG LYS 25 3. .153 16. .255 -1. .839 1. .00 5. .27 ATOM 214 CD LYS 25 2. .581 15. .554 -3. .051 1. .00 3. .30 ATOM 215 CE LYS 25 3, .260 15. .890 -4. .355 1. .00 10. .38 ATOM 216 NZ LYS 25 2. .559 15. .231 -5, .444 1. .00 11. .78 ATOM 217 HZ1 LYS 25 3. .027 14. .321 -5. .634 1. .00 0. .00 ATOM 218 HZ2 LYS 25 1. .570 15. .066 -5. .169 1. .00 0, .00 ATOM 219 HZ3 LYS 25 2. .588 15. .821 -6. .298 1. .00 0. .00 ATOM 220 C LYS 25 6. .265 15. .828 0. .258 1. .00 10. .22 ATOM 221 O LYS 25 6. .897 16. .878 0. .404 1. .00 9. .54 ATOM 222 N LEU 26 6. .838 14. .617 0. .301 1. .00 11. .16 ATOM 223 H LEU 26 6. .273 13. .839 0. .106 1. .00 0. .00 ATOM 224 CA LEU 26 8. .251 14. .406 0. .623 1. .00 9, .37 ATOM 225 CB LEU 26 8. .620 12. .933 0. .400 1. .00 11, .52 ATOM 226 CG LEU 26 8. .869 12. .403 -1. .006 1, .00 15, .81 ATOM 227 CDl LEU 26 8. .667 10. .906 -1, .070 1, .00 12, .44 - 234 SUBSTITUTE SHEET (RULE 25) ATOM 228 CD2! LEU 26 -10.274 12.781 -1.405 1.00 14.24 ATOM 229 C LEU 26 -8 .631 14 .799 2 .069 1 .00 10 .95 ATOM 230 O LEU 26 -9 .801 15 .111 2 .355 1 .00 14 .32 ATOM 231 N ALA 27 -7 .692 14 .822 3 .024 1 .00 11 .08 ATOM 232 H ALA 27 -6 .777 14 .533 2 .808 1 .00 0 .00 ATOM 233 CA ALA 27 -7 .994 15 .224 4 .386 1 .00 11 .08 ATOM 234 CB ALA 27 -7 .036 14 .511 5 .304 1 .00 10 .64 ATOM 235 C ALA 27 -7 .953 16 .734 4 .652 1 .00 7 .17 ATOM 236 O ALA 27 -8 .111 17 .181 5 .782 1 .00 11 .67 ATOM 237 N GLY 28 -7 .739 17 .589 3 .664 1 .00 12 .48 ATOM 238 H GLY 28 -7 .484 17 .253 2 .781 1 .00 0 .00 ATOM 239 CA GLY 28 -7 .896 19 .028 3 .827 1 .00 7 .75 ATOM 240 C GLY 28 -6 .628 19 .840 3. .923 1 .00 4, .07 ATOM 241 O GLY 28 -6 .690 21 .035 4 .200 1 .00 6 .51 ATOM 242 N MET 29 -5 .473 19 .214 3 .803 1, .00 2. .00 ATOM 243 H MET 29 -5 .490 18. .237 3, .712 1. .00 0. .00 ATOM 244 CA MET 29 -4 .190 19. .893 3, .778 1. .00 8. .42 ATOM 245 CB MET 29 -3, .995 20. .563 2. .387 1. .00 10. .20 ATOM 246 CG MET 29 -3. .777 19. .617 1. .225 1. .00 2. .00 ATOM 247 SD MET 29 -2, .291 18. .598 1. .382 1. .00 8. .85 ATOM 248 CE MET 29 -1. .010 19. .682 0. .859 1. .00 2. .00 ATOM 249 C MET 29 -3, .856 20. .922 4. .854 1. .00 10. .87 ATOM 250 O MET 29 -2. .966 21. .768 4. .665 1. .00 10. .88 ATOM 251 N ALA 30 -4. .500 20. .905 6. .021 1. ,00 11. .57 ATOM 252 H ALA 30 -5. .182 20. .223 6. .167 1. ,00 0. .00 ATOM 253 CA ALA 30 -4. .164 21. .845 7. ,095 1. 00 10. .40 ATOM 254 CB ALA 30 -5. ,179 21. ,738 8. ,228 1. 00 6. .30 ATOM 255 C ALA 30 -2. .775 21. ,578 7. .669 1. ,00 10. ,33 ATOM 256 O ALA 30 -2. .295 20. ,435 7. .630 1. 00 13. ,22 ATOM 257 N ASP 31 -2. ,076 22. 614 8. 163 1. 00 12. 01 ATOM 258 H ASP 31 -2. ,486 23. 499 8. 124 1. 00 0. 00 ATOM 259 CA ASP 31 -0. 776 22. 454 8. 823 1. 00 12. 46 ATOM 260 CB ASP 31 -0. 288 23. 751 9. 448 1. 00 13. 37 ATOM 261 CG ASP 31 0. 098 24. 844 8. 474 1. 00 21. 50 ATOM 262 ODI ASP 31 0. 146 25. 992 8. 888 1. 00 24. 55 ATOM 263 OD2 ASP 31 0. 365 24. 563 7. 309 1. 00 20. 09 ATOM 264 C ASP 31 -0. 900 21. 447 9. 952 1. 00 7. 22 ATOM 265 O ASP 31 -1. 895 21. 484 10. 668 1. 00 4. 46 ATOM 266 N GLY 32 0. 048 20. 550 10. 124 1. 00 10. 27 235 ATOM 267 H GLY 32 0.798 20.509 9.504 1.00 0.00 ATOM 268 CA GLY 32 •0 .033 19 .590 11 .205 1 .00 8 .51 ATOM 269 C GLY 32 ■0 .823 18 .338 10 .859 1 .00 7 .26 ATOM 270 O GLY 32 ■0 .854 17 .457 11 .714 1 .00 8 .25 ATOM 271 N LEU 33 •1 .475 18 .224 9 .681 1 .00 11 .32 ATOM 272 H LEU 33 ■1 .447 18 .977 9 .055 1 .00 0 .00 ATOM 273 CA LEU 33 ■2 .163 17 .020 9 .241 X .00 7 .48 ATOM 274 CB LEU 33 • 2 .958 17 .285 7 .952 1. .00 6, .35 ATOM 275 CG LEU 33 ■3 .782 16 .168 7 .277 1, .00 6, .57 ATOM 276 CDl LEU 33 •5 .026 15 .832 8 .081 1 .00 2, .00 ATOM 277 CD2 LEU 33 ■ 4 .230 16, .632 5 .924 1, .00 2. .00 ATOM 278 C LEU 33 ■ 1, .040 16, .019 8, .975 1, .00 6, .22 ATOM 279 O LEU 33 ■ 0, .088 16, .324 8, .255 1, .00 6, .43 ATOM 280 N PHE 34 ■ 1. .096 14. .827 9, .559 1, .00 8. .18 ATOM 281 H PHE 34 1, .873 14. .606 10, .113 1, .00 0. .00 ATOM 282 CA PHE 34 0. .031 13. .841 9. .449 X, .00 6. ,96 ATOM 283 CB PHE 34 0. .906 13. .955 10. .668 1. .00 9. .24 ATOM 284 CG PHE 34 0. .293 13. .474 12. .001 1. .00 11. .41 ATOM 285 CDl PHE 34 0. .609 12. .195 12. .511 .00 10. ,54 ATOM 286 CD2 PHE 34 0. .598 14. .301 12. .705 1. .00 6. .42 ATOM 287 CEI PHE 34 0. .036 11. .755 13. .703 1. .00 2. .02 ATOM 288 CΞ2 PHE 34 1. .171 13. .850 13. .902 1. .00 7. .27 ATOM 289 CZ PHE 34 0. .851 12. .578 14. .396 1. .00 6. .84 ATOM 290 C PHE 34 0. .567 12. .412 9. .374 1. .00 5. .22 ATOM 291 O PHE 34 1. .726 12. .147 9. .661 . .00 3. .39 ATOM 292 N LEU 25 0. .268 11. .458 9, .034 1. ,00 5. ,72 ATOM 293 H LEU 35 1. .189 11. .706 8. .790 1■ .00 0. .00 ATOM 294 CA LEU 35 0. .072 10. .050 9. .046 1. .00 4. .60 ATOM 295 CB LEU 35 0. .724 9. .614 7. .712 1. .00 8. .73 ATOM 296 CG LEU 35 0. .088 9. .773 6. .319 1. .00 3. .40 ATOM 297 CDl LEU 35 0. .959 8. .732 5. .950 1. .00 2. .00 ATOM 298 CD2 LEU 35 1. .244 9. .677 5. .386 1. .00 2. .00 ATOM 299 C LEU 35 1. .245 9. .317 9. .250 .00 3. .92 ATOM 300 O LEU 35 2. .324 9. .933 9. .225 1. .00 2. .00 ATOM 301 N LEU 36 1. .191 8. .005 9. .422 1. .00 5. .92 ATOM 302 H LEU 36 0. .323 7. .551 9. .390 X. .00 0. .00 ATOM 303 CA LEU 36 2. .380 7. .184 9. .594 1. .00 8. .39 ATOM 304 CB LEU 36 2. .363 6. .596 10. .986 1. .00 11. .32 ATOM 305 CG LEU 36 3. .640 6. .400 11. .741 1. .00 14. .05 236 - ATOM 306 CDl LEU 36 4.436 7.705 11.802 1.00 16.00 ATOM 307 CD2 LEU 36 3.265 5.884 13.125 1.00 9.12 ATOM 308 C LEU 36 2.337 6.074 8.546 1.00 7.14 ATOM 309 O LEU 36 1.281 5.554 8.193 1.00 5.23 ATOM 310 N ARG 37 3.451 5.641 8.002 1.00 7.21 ATOM 311 H ARG 37 4.319 6.012 8.281 1.00 0.00 ATOM 312 CA ARG 37 3.436 4.601 7.001 1.00 6.63 ATOM 313 CB ARG 37 3.347 5.207 5.570 1.00 6.99 ATOM 314 CG ARG 37 4.431 6.217 5.175 1.00 7.51 ATOM 315 CD ARG 37 4.133 6.877 3.834 1.00 3.14 ATOM 316 NE ARG 37 4.999 7.996 3.521 1.00 2.00 ATOM 317 HE ARG 37 4.751 8.885 3.842 1.00 0.00 ATOM 318 CZ ARG 37 6.090 7.884 2.784 1.00 2.00 ATOM 319 NHI ARG 37 6.467 6.714 2.287 1.00 9.05 ATOM 320 HH11 ARG 37 5.927 5.895 2.467 1.00 0.00 ATOM 321 HH12 ARG 37 7.293 6.655 1.729 1.00 0.00 ATOM 322 NH2 ARG 37 6.826 8.967 2.509 1.00 2.00 ATOM 323 HH21 ARG 37 6.527 9.860 2.843 1.00 0.00 ATOM 324 HH22 ARG 37 7.645 8.898 1.946 1.00 0.00 ATOM 325 C ARG 37 4.742 3.896 7.236 1.00 4.63 ATOM 326 O ARG 37 5.673 4.451 7.813 1.00 6.35 ATOM 327 N GLN 38 4.774 2.634 6.860 1.00 5.04 ATOM 328 H GLN 38 4.022 2.306 6.330 1.00 0.00 ATOM 329 CA GLN 38 5.938 1.799 7.031 1.00 7.58 ATOM 330 CB GLN 38 5.595 0.351 6.761 1.00 7.74 ATOM 331 CG GLN 33 6.806 -0.558 6.935 1.00 13.64 ATOM 332 CD GLN 33 6.483 -2.001 6.637 1.00 14.53 ATOM 333 OEI GLN 3 ** 6.523 -2.458 5.497 1.00 12.05 ATOM 334 NE2 GLN 33 6.109 -2.747 7.656 1.00 18.12 ATOM 335 HE21 GLN 38 6.074 -2.344 8.548 1.00 0.00 ATOM 336 HE22 GLN 38 5.914 -3.686 7.478 1.00 0.00 ATOM 337 C GLN 38 6.999 2.228 6.044 1.00 10.26 ATOM 338 O GLN 33 6.685 2.463 4.877 1.00 17.97 ATOM 339 N CYS 39 8.249 2.259 6.487 1.00 5.47 ATOM 340 H CYS 39 8.430 1.978 7.409 1.00 0.00 ATOM 341 CA CYS 39 9.348 2.636 5.640 1.00 5.68 ATOM 342 CB CYS 39 10.486 3.061 6.507 1.00 2.00 ATOM 343 SG CYS 39 11.920 3.657 5.614 1.00 7.85 ATOM 344 C CYS 39 9.677 1.390 4.861 1.00 8.60 237 - ATOM 345 O CYS 39 9.841 0.306 5.419 1.00 7.46 ATOM 346 N LEU 40 9 .732 1 .534 3 .551 1 .00 9 .77 ATOM 347 H LEU 40 9 .503 2 .417 3 .173 1, .00 0 .00 ATOM 348 CA LEU 40 10. .016 0 .439 2 .642 1, .00 8. .59 ATOM 349 CB LEU 40 9, .288 0, .734 1. .312 1, .00 6, .71 ATOM 350 CG LEU 40 7, .773 1, .006 1 .449 1. .00 11, .30 ATOM 351 CDl LEU 40 7. .122 1, .289 0, .101 1. .00 8, .08 ATOM 352 CD2 LEU 40 7. .140 -0. .199 2, .108 1. .00 11. .61 ATOM 353 C LEU 40 11. .509 0. .271 2. .441 1. .00 5. .73 ATOM 354 O LEU 40 11. .937 -0. .688 1, .800 1. .00 9. .26 ATOM 355 N ARG 41 12. .309 1. .209 2. .962 1. .00 8. .34 ATOM 356 H ARG 41 11. .897 1. .977 3. .405 1. .00 0. .00 ATOM 357 CA ARG 41 13. .763 1. .249 2. .813 1. .00 2. .90 ATOM 358 CB ARG 41 14. .210 2. .666 2. .555 1. .00 2. .00 ATOM 359 CG ARG 41 13. .454 3. .361 1. .465 1. ,00 2. .98 ATOM 360 CD ARG 41 13. .444 4. .854 1. .636 1. ,00 2. .00 ATOM 361 NE ARG 41 14. .799 5. .288 1. .685 1. ,00 8. .56 ATOM 362 HE ARG 41 15. ,451 4. .892 1. .068 1. ,00 0. ,00 ATOM 363 CZ ARG 41 15. .236 6. .186 2. .575 1. .00 12. .54 ATOM 364 NHI ARG 41 14. .464 6. .783 3. .503 1. .00 5. .62 ATOM 365 HH11 ARG 41 13. .491 6. .577 3. .561 1. .00 0. .00 ATOM 366 HH12 ARG 41 14. .875 7. .443 4. .131 1. .00 0. .00 ATOM 367 NH2 ARG 41 16. .541 6. .418 2. .555 1. .00 9. .56 ATOM 368 HH21 ARG 41 17. .122 5. .945 1. .892 1. .00 0. .00 ATOM 369 HH22 ARG 41 16. .939 7. .080 3. .189 1. .00 0, .00 ATOM 370 C ARG 41 14. .546 0. .749 4. .026 1. .00 3. .10 ATOM 371 O ARG 41 15. .738 0. .442 3. .924 1. .00 6. .59 ATOM 372 N SER 42 13. .886 0. .603 5. .172 1. .00 6, .64 ATOM 373 H SER 42 12. .914 0. .695 5, .186 1. .00 0, .00 ATOM 374 CA SER 42 14. .523 0, .260 6, .436 1. .00 10, .06 ATOM 375 CB SER 42 14. .450 1. .447 7, .379 1. .00 7, .22 ATOM 376 OG SER 42 15. .317 2, .451 6, .893 1. .00 18, .52 ATOM 377 HG SER 42 15. .130 3, .248 7, .414 1. .00 0 .00 ATOM 378 C SER 42 13. .877 -0, .927 7, .130 1. .00 13 .90 ATOM 379 O SER 42 12. .722 -1, .258 6, .862 1. .00 18 .52 ATOM 380 N LEU 43 14. .615 -1, .614 7, .985 1, .00 14 .21 ATOM 381 H LEU 43 15. .551 -1, .367 8 .099 1, .00 0 .00 ATOM 382 CA LEU 43 14 .096 -2 .659 8 .842 1 .00 12 .11 ATOM 383 CB LEU 43 15 .245 -3 .504 9 .359 1 .00 12 .29 - 238 ATOM 384 CG LEU 43 15.525 -4.925 8.908 1.00 14.37 ATOM 385 CDl LEU 43 14 .425 -5 .442 7 .984 1 .00 15 .27 ATOM 386 CD2 LEU 43 16 .915 -4 .921 8 .302 1 .00 3 .04 ATOM 387 C LEU 43 13 .405 -1 .982 10 .027 1 .00 11 .13 ATOM 388 O LEU 43 14 .057 -1 .224 10 .754 1 .00 10 .97 ATOM 389 N GLY 44 12 .099 -2 .164 10 .184 1 .00 7 .84 ATOM 390 H GLY 44 11 .625 -2 .683 9 .498 1 .00 0 .00 ATOM 391 CA GLY 44 11 .327 -1 .661 11 .321 1 .00 11 .90 ATOM 392 C GLY 44 11 .099 -0 .147 11 .447 1 .00 14 .98 ATOM 393 O GLY 44 10 .677 0 .352 12 .508 1 .00 9 .21 ATOM 394 N GLY 45 11 .279 0 .615 10 .380 1 .00 14 .81 ATOM 395 H GLY 45 11 .397 0 .182 9 .512 1 .00 0 .00 ATOM 396 CA GLY 45 11, .122 2. .047 10, .463 1, .00 9 .74 ATOM 397 C GLY 45 9 .769 2 .464 9, .936 1, .00 8, .20 ATOM 398 O GLY 45 8 .978 1, .687 9, .395 1, .00 6 .62 ATOM 399 N TYR 46 9, .511 3, .752 10. .057 1. .00 9, .51 ATOM 400 H TYR 46 10. .194 4. .332 10. .458 1. .00 0. .00 ATOM 401 CA TYR 46 8. .295 4. .356 9. .555 1. .00 4. .24 ATOM 402 CB TYR 46 7, .347 4. .752 10. .689 1. .00 2. .68 ATOM 403 CG TYR 46 6. .921 3. .588 11. .564 1. .00 8, .82 ATOM 404 CDl TYR 46 5. .812 2. .830 11. .220 1. .00 2. .00 ATOM 405 CEI TYR 46 5. .463 .728 11. .982 1. .00 7. .74 ATOM 406 CD2 TYR 46 7. .684 3. .255 12. .684 1. .00 6. .02 ATOM 407 CE2 TYR 46 7. .343 2. .147 13. .453 1. .00 11. .00 ATOM 408 CZ TYR 46 6. .233 1. .388 13. ,092 1. .00 10. .98 ATOM 409 OH TYR 46 5. .905 0. .267 13. ,825 1. .00 8. .20 ATOM 410 HH TYR 46 6. .725 -0. ,036 14. ,250 1. 00 0. ,00 ATOM 411 C TYR 46 8. .678 5. .610 8. .796 1. .00 2. .66 ATOM 412 O TYR 46 9. .856 5. .975 8. ,722 1. ,00 2. .00 ATOM 413 N VAL 47 7. .691 6. .266 8. ,217 1. ,00 2. .00 ATOM 414 H VAL 47 6. ,772 5. .925 8. ,251 1. 00 0. .00 ATOM 415 CA VAL 47 7. ,906 7. .564 7. ,655 1. 00 3. .35 ATOM 416 CB VAL 47 7. ,904 7. .582 6. 088 1. 00 4. .68 ATOM 417 CGI VAL 47 8. ,233 9. .004 5. 674 1. 00 2. .00 ATOM 418 CG2 VAL 47 8. 969 . 6. 694 5. 445 1. 00 2. .00 ATOM 419 C VAL 47 6. 702 8. 327 8. 198 1. 00 5. ,16 ATOM 420 O VAL 47 5. 560 7. 842 8. 202 1. 00 2. ,00 ATOM 421 N LEU 48 7. ,015 9. .505 8. 772 1. 00 8. .17 ATOM 422 H LEU 48 7. ,954 9. 773 8. 830 1. 00 0. .00 - 239 ATOM 423 CA LEU 48 6.001 10.432 9.273 1.00 6.70 ATOM 424 CB LEU 48 6 .544 11 .178 10 .506 1 .00 3 .33 ATOM 425 CG LEU 48 5 .855 12 .460 11 .014 1 .00 10 .59 ATOM 426 CDl LEU 48 4 .443 12 .184 11 .481 1 .00 2 .00 ATOM 427 CD2 LEU 48 6 .688 13 .032 12 .151 1 .00 10 .81 ATOM 428 C LEU 48 5, .732 11 .393 8 .125 1, .00 2 .00 ATOM 429 O LEU 48 6 .652 12 .078 7 .681 1, .00 2 .00 ATOM 430 N SER 49 4, .518 11. .432 7 .592 1, .00 5, .52 ATOM 431 H SER 49 3. .795 10. .929 8, .028 1. .00 0, .00 ATOM 432 CA SER 49 4, .204 12, .312 6, .464 1. .00 7, .99 ATOM 433 CB SER 49 3, .533 11, .538 5, .339 1. .00 5. .20 ATOM 434 OG SER 49 4. .472 10, .608 4, .804 1. .00 4. .26 ATOM 435 HG SER 49 4. .258 9. .763 5. .230 1. .00 0. .00 ATOM 436 C SER 49 3. .279 13. .402 6, .946 1. .00 4. .36 ATOM 437 O SER 49 2. .207 13. .129 7. .476 1. .00 2. .46 ATOM 438 N LEU 50 3. .692 14. .646 6. .740 1. .00 11. ,49 ATOM 439 H LEU 50 4. .500 14. .827 6. .218 1. .00 0. .00 ATOM 440 CA LEU 50 2. .981 15. .773 7. .301 1. ,00 10. .89 ATOM 441 CB LEU 50 3. .736 16. .081 8. .614 1. ,00 13. .17 ATOM 442 CG LEU 50 4. .269 17. .435 9. .006 1. ,00 11. .02 ATOM 443 CDl LEU 50 3. .244 18. .149 9. .876 1. ,00 15. .66 ATOM 444 CD2 LEU 50 5. .557 17. .249 9. .743 1. ,00 10. .25 ATOM 445 C LEU 50 2. .862 16. .965 6. .360 1. ,00 5. .13 ATOM 446 O LEU 50 3. .736 17. .222 5. .517 1. ,00 5. ,58 ATOM 447 N VAL 51 1. .734 17. .659 6. .517 1. ,00 5. ,20 ATOM 448 H VAL 51 1. .077 17. .332 7. .162 1. ,00 0. .00 ATOM 449 CA VAL 51 1. .444 18. .873 5. .778 1. ,00 6. .94 ATOM 450 CB VAL 51 0. .037 18. .938 5. .369 1. ,00 5. .57 ATOM 451 CGI VAL 51 0. .313 20. .171 4. .539 1. ,00 5. .27 ATOM 452 CG2 VAL 51 0. .363 17. .755 4. .502 1. ,00 8. .48 ATOM 453 C VAL 51 1. .767 20. .115 6. .605 1. .00 6. .19 ATOM 454 O VAL 51 1. .419 20. .266 7, .779 1. .00 6. .38 ATOM 455 N HIS 52 2. .496 21. .014 5, .956 1. .00 7, .67 ATOM 456 H HIS 52 2. .779 20. .789 5, .041 1. .00 0, .00 ATOM 457 CA HIS 52 2. .805 22, .326 6, .469 1. .00 5, .57 ATOM 458 CB HIS 52 4. .074 22, .315 7, .320 1. .00 4, .68 ATOM 459 CG HIS 52 4. .302 23, .714 7 .897 1. .00 2 .00 ATOM 460 CD2 HIS 52 5. .319 24, .547 7, .535 1. .00 5, .06 ATOM 461 NDI HIS 52 3. .552 24, .372 8 .768 1. .00 6 .19 240 - WO97/08300 F P • CCTT/US96/13918 ATOM 462 HD1 HIS 52 2.809 24.027 9.315 1.00 0 .00 ATOM 463 CEI HIS 52 4.076 25.555 8.929 1.00 2 .82 ATOM 464 NE2 HIS 52 5.135 25.652 8.189 1.00 2 .00 ATOM 465 HE2 HIS 52 5.832 26.325 8.378 1.00 0 .00 ATOM 466 C HIS 52 3.011 23.224 5.233 1.00 6 .14 ATOM 467 O HIS 52 3.752 22.848 4.326 1.00 7 .03 ATOM 468 N ASP 53 2.344 24.398 5.203 1.00 7 .04 ATOM 469 H ASP 53 1.756 24.593 5.946 1.00 0 .00 ATOM 470 CA ASP 53 2.319 25.378 4.128 1.00 7 .19 ATOM 471 CB ASP 53 3.692 26.074 4.077 1.00 13 .83 ATOM 472 CG ASP 53 3.782 27.331 3.203 1.00 19 .58 ATOM 473 ODI ASP 53 4.872 27.597 2.695 1.00 24, .03 ATOM 474 OD2 ASP 53 2.790 28.048 3.030 1.00 20 .95 ATOM 475 C ASP 53 1.944 24.749 2.783 1.00 7, .16 ATOM 476 O ASP 53 2.571 24.963 1.752 1.00 4, .53 ATOM 477 N VAL 54 0.844 23.980 2.869 1.00 8, .53 ATOM 478 H VAL 54 0.390 23.945 3.737 1.00 0. .00 ATOM 479 CA VAL 54 0.204 23.208 1.800 1.00 8. .93 ATOM 480 CB VAL 54 -0.627 24.166 0.849 1.00 12. .04 ATOM 481 CGI VAL 54 -1.678 23.357 0.060 1.00 7. .47 ATOM 482 CG2 VAL 54 -1.419 25.201 1.664 1.00 8. .15 ATOM 483 C VAL 54 1.224 22.395 1.006 1.00 9. .82 ATOM 484 O VAL 54 1.087 22.119 -0.185 1.00 9. .21 ATOM 485 N ARG 55 2.250 21.903 1.704 1.00 8. .33 ATOM 486 H ARG 55 2.287 22.011 2.677 1.00 0. .00 ATOM 487 CA ARG 55 3.322 21.141 1.094 1.00 9. ,23 ATOM 488 CB ARG 55 4.611 21.966 1.055 1.00 6. 97 ATOM 489 CG ARG 55 4.532 23.059 0.020 1.00 10. ,44 ATOM 490 CD ARG 55 5.795 23.872 0.061 1.00 12. ,13 ATOM 491 NE ARG 55 5.926 24.706 -1.136 1.00 18. ,61 ATOM 492 HE ARG 55 6.452 24.356 -1.888 1.00 0. 00 ATOM 493 CZ ARG 55 5.350 25.913 -1.280 1.00 15. 59 ATOM 494 NHI ARG 55 4.586 26.464 -0.336 1.00 10. 00 ATOM 495 HH11 ARG 55 4.408 25.984 0.524 1.00 0. 00 ATOM 496 HHl2 ARG 55 4.189 27.367 -0.490 1.00 0. 00 ATOM 497 NH2 ARG 55 5.584 26.607 -2.390 1.00 14. 76 ATOM 498 HH21 ARG 55 6.170 26.232 -3.108 1.00 0. 00 ATOM 499 HH22 ARG 55 5.161 27.505 -2.516 1.00 0. 00 ATOM 500 C ARG 55 3.524 19.911 1.961 1.00 9. 89 241 ATOM 501 O ARG 55 3.145 19.914 3.136 1,.00 7.57 ATOM 502 N PHE 56 4 .170 18 .888 1 .414 1, .00 11 .16 ATOM 503 H PHE 56 4, .544 18 .997 0 .510 1. .00 0, .00 ATOM 504 CA PHE 56 4, .340 17 .617 2 .096 1, .00 10, .07 ATOM 505 CB PHE 56 4, .098 16 .469 1. .151 1. .00 10, .65 ATOM 506 CG PHE 56 2, .742 16 .558 0. .505 1. .00 5, .39 ATOM 507 CDl PHE 56 2. .644 16, .978 -0 .820 1. .00 7, .49 ATOM 508 CD2 PHE 56 1. .625 16 .180 1, .224 1. .00 2, .00 ATOM 509 CEI PHE 56 1. .397 17, .010 -1, .440 1. .00 2. .00 ATOM 510 CE2 PHE 56 0. .387 16, .217 0, .593 1. .00 4. .37 ATOM 511 CZ PHE 56 0. .271 16, .629 -0, .735 1. ,00 3. .23 ATOM 512 C PHE 56 5. .720 17, .453 2. .654 1. .00 7. .33 ATOM 513 O PHE 56 6. .669 17. .846 1. .989 1. ,00 3. .76 ATOM 514 N HIS 57 5. .911 16. .893 3. .847 1. ,00 7. .78 ATOM 515 H HIS 57 5. .145 16. .575 4. .376 1. ,00 0. .00 ATOM 516 CA HIS 57 7. .243 16. .753 4. .422 1. ,00 9. ,13 ATOM 517 CB HIS 57 7. .410 17. .781 5. .554 1. ,00 9. ,13 ATOM 518 CG HIS 57 7. .101 19. .214 5. .116 1. ,00 5. .87 ATOM 519 CD2 HIS 57 5. .851 19. .759 5. .157 1. ,00 4. .86 ATOM 520 NDI HIS 57 7. .905 20. .137 4. .602 1. ,00 5. ,61 ATOM 521 HD1 HIS 57 8. .788 19. .977 4. .213 1. ,00 0. .00 ATOM 522 CEI HIS 57 7. .208 21. .202 4. .328 1. ,00 2. .00 ATOM 523 NE2 HIS 57 5. .978 20. .952 4. .666 1. ,00 8. .92 ATOM 524 HE2 HIS 57 5. .233 21. .552 4. .438 1. ,00 0. .00 ATOM 525 C HIS 57 7. .295 15, .330 4. .945 1. .00 7, .66 ATOM 526 O HIS 57 6. .364 14. .882 5, .611 1. .00 11. .39 ATOM 527 N HIS 58 8. .296 14, .567 4, .535 1. .00 9, .95 ATOM 528 H HIS 58 9. .012 14, .961 3, .981 1. .00 0, .00 ATOM 529 CA HIS 58 8. .411 13, .173 4, .887 1. .00 7, .60 ATOM 530 CB HIS 58 8. .491 12, .344 3, .620 1. .00 3, .50 ATOM 531 CG HIS 58 7. .195 12 .474 2, .834 1. .00 2, .00 ATOM 532 CD2 HIS 58 7. .013 13 .360 1. .813 1. .00 2 .00 ATOM 533 NDI HIS 58 6, .051 11 .828 2. .960 1. .00 4 .99 ATOM 534 HD1 HIS 58 5, .844 11 .123 3 .619 1, .00 0 .00 ATOM 535 CEI HIS 58 5, .196 12 .273 2 .087 1, .00 2 .00 ATOM 536 NΞ2 HIS 58 5. .794 13 .197 1 .403 1 .00 2 .00 ATOM 537 HE2 HIS 58 5 .390 13 .727 0 .691 1 .00 0 .00 ATOM 538 C HIS 58 9 .639 12 .966 5 .731 1 .00 7 .66 ATOM 539 O HIS 58 10 .756 13 .187 5 .271 1 .00 6 .10 242 ATOM 540 N PHE 59 9.418 12.580 6.985 1.00 4.13 ATOM 541 H PHE 59 8.490 12 .492 7 .283 1 .00 0 .00 ATOM 542 CA PHE 59 10.476 12 .333 7 .958 1 .00 5 .36 ATOM 543 CB PHE 59 10.097 13 .014 9 .295 1 .00 5 .09 ATOM 544 CG PHE 59 10.111 14 .519 9 .155 1 .00 2 .00 ATOM 545 CDl PHE 59 8.934 15 .206 8 .879 1 .00 2 .00 ATOM 546 CD2 PHE 59 11.332 15 .182 9 .253 1 .00 3 .34 ATOM 547 CEI PHE 59 8.987 16 .571 8 .688 1 .00 8 .91 ATOM 548 CE2 PHE 59 11.371 16 .549 9 .060 1 .00 2 .00 ATOM 549 CZ PHE 59 10.203 17 .246 8 .780 1 .00 2 .00 ATOM 550 C PHE 59 10.707 10 .846 8 .189 1 .00 3 .82 ATOM 551 O PHE 59 9.802 10 .183 8 .724 1 .00 4 .17 ATOM 552 N PRO 60 11.822 10, .239 7 .802 1, .00 4 .66 ATOM 553 CD PRO 60 12.871 10, .838 6. .989 1, .00 7 .48 ATOM 554 CA PRO 60 12.139 8. .867 8. .165 1, .00 6, .70 ATOM 555 CB PRO 60 13.388 8, .558 7 .392 1. .00 4, .95 ATOM 556 CG PRO 60 13.453 9, .621 6, .300 1, .00 5, .79 ATOM 557 C PRO 60 12.313 8. .715 9, .672 1. .00 10. .66 ATOM 558 O PRO 60 12.935 9. .532 10. .350 1. .00 8. .35 ATOM 559 N ILE 61 11.681 7. .687 10. .217 1. ,00 11. .15 ATOM 560 H ILE 61 11.116 7. .128 9. .646 1. .00 0. .00 ATOM 561 CA ILE 61 11.807 7. .337 11. .621 1. .00 7. .78 ATOM 562 CB ILE 61 10.408 7. .155 12. .247 1. .00 6. .02 ATOM 563 CG2 ILE 61 10.620 6. .819 13. .710 1. ,00 4. .07 ATOM 564 CGI ILE 61 9.524 8. .398 12. .103 1. ,00 4. .03 ATOM 565 CD ILE 61 8.035 8. 155 12. ,396 1. 00 2. ,00 ATOM 566 C ILE 61 12.563 6. ,013 11. ,574 1. ,00 8. .52 ATOM 567 O ILE 61 12.018 5. .034 11. .047 1. ,00 9. .02 ATOM 568 N GLU 62 13.816 5. .975 12. ,022 1. .00 9. .62 ATOM 569 H GLU 62 14.202 6. 797 12. ,395 1. 00 0. ,00 ATOM 570 CA GLU 62 14.612 4. 756 12. ,035 1. 00 8. ,61 ATOM 571 CB GLU 62 16.077 5. .015 11. ,900 1. 00 8. .30 ATOM 572 CG GLU 62 16.575 5. 629 10. ,615 1. 00 29. ,69 ATOM 573 CD GLU 62 18.027 6. 097 10. 749 1. 00 43. ,17 ATOM 574 OEI GLU 62 18.878 5. 304 11. 173 1. 00 46. ,59 ATOM 575 OE2 GLU 62 18.305 7. 262 10. 441 1. 00 47. ,06 ATOM 576 C GLU 62 14.464 4. 023 13. 348 1. 00 9. 33 ATOM 577 O GLU 62 14.321 4. 691 14. 365 1. 00 11. ,22 ATOM 578 N ARG 63 14.460 2. 698 13. 370 1. 00 9. ,50 243 ATOM 579 H ARG 63 14.448 2.228 12.514 1.00 0.00 ATOM 580 CA ARG 63 14 .508 1 .918 14 .597 1 .00 11 .99 ATOM 581 CB ARG 63 13 .851 0 .583 14 .339 1 .00 16 .38 ATOM 582 CG ARG 63 13 .612 -0 .203 15 .604 1 .00 20 .52 ATOM 583 CD ARG 63 12 .825 -1 .422 15 .224 1 .00 27 .53 ATOM 584 NE ARG 63 12 .614 -2 .334 16 .332 1 .00 36 .69 ATOM 585 HE ARG 63 11 .709 -2 .419 16 .697 1 .00 0 .00 ATOM 586 CZ ARG 63 13 .596 -3 .072 16 .878 1 .00 39 .35 ATOM 587 NHI ARG 63 14 .864 -3 .031 16 .463 1 .00 42 .71 ATOM 588 HH11 ARG 63 15 .125 -2 .426 15 .711 1 .00 0 .00 ATOM 589 HH12 ARG 63 15 .553 -3 .603 16 .909 1 .00 0, .00 ATOM 590 NH2 ARG 63 13 .293 -3 .916 17 .858 1, .00 41, .76 ATOM 591 HH21 ARG 63 12, .349 -3. .985 18 .185 1, .00 0, .00 ATOM 592 HH22 ARG 63 14, .009 -4 .480 18 .269 1, .00 0, .00 ATOM 593 C ARG 63 15, .992 1, .760 14, .998 1, .00 14. .55 ATOM 594 O ARG 63 16. .882 1. .405 14, .210 1. .00 15. .00 ATOM 595 N GLN 64 16, .312 2, .083 16, .247 1, .00 13. .04 ATOM 596 H GLN 64 15. .586 2. .240 16, .876 1. .00 0. .00 ATOM 597 CA GLN 64 17. .692 2. .150 16. .724 1. .00 14. .92 ATOM 598 CB GLN 64 17. .809 3. .120 17. .901 1. .00 13. .12 ATOM 599 CG GLN 64 17. .253 4. .507 17. .632 1. .00 20. .26 ATOM 600 CD GLN 64 18. .029 5. .265 16. .569 1. .00 26. .72 ATOM 601 OEI GLN 64 17. .579 5. .524 15. .453 1. ,00 32. .53 ATOM 602 NE2 GLN 64 19. .246 5. .681 16. .873 1. ,00 31. .43 ATOM 603 HE21 GLN 64 19. ,593 5. ,484 17. .766 1. ,00 0. 00 ATOM 604 HE22 GLN 64 19. ,721 6. ,197 16. .189 00 0. 00 ATOM 605 C GLN 64 18. ,196 0. 803 17. .200 1. ,00 14. 42 ATOM 606 O GLN 64 17. ,384 -0. ,097 17. .379 1. ,00 15. ,52 ATOM 607 N LEU 65 19. 498 0. 702 17. .519 1. 00 19. 29 ATOM 608 H LEU 65 20. 086 1. 426 17. .230 1. 00 0. 00 ATOM 609 CA LEU 65 20. ,112 -0. ,477 18. .145 1. ,00 22. .45 ATOM 610 CB LEU 65 21. ,589 -0. ,172 18. .629 1. ,00 28. ,25 ATOM 611 CG LEU 65 22. ,134 0. ,937 19. .638 1. ,00 36. .97 ATOM 612 CDl LEU 65 21. ,972 0. ,566 21. .105 1. ,00 35. .85 ATOM 613 CD2 LEU 65 23. ,666 1. ,012 19. .553 1. ,00 31. ,59 ATOM 614 C LEU 65 19. 306 -0. ,988 19. .337 1. ,00 19. ,74 ATOM 615 O LEU 65 19. 098 -2. ,185 19. .514 1. ,00 22. .52 ATOM 616 N ASN 66 18. 737 -0. 082 20. .122 1. ,00 16. ,94 ATOM 617 H ASN 66 18. 751 0. 854 19. ,850 1. ,00 0. ,00 244 ATOM 618 CA ASN 66 18.035 -0.443 21.344 1.00 14.28 ATOM 619 CB ASN 66 18.407 0.567 22.433 1.00 17 .49 ATOM 620 CG ASN 66 18.149 2.027 22.091 1.00 18 .94 ATOM 621 ODI ASN 66 17.411 2.357 21.159 1.00 20 .48 ATOM 622 ND2 ASN 66 18.776 2.964 22.771 1.00 26 .84 ATOM 623 HD21 ASN 66 19.427 2.694 23.459 1.00 0 .00 ATOM 624 HD22 ASN 66 18.577 3.906 22.593 1.00 0 .00 ATOM 625 C ASN 66 16.531 -0.557 21.223 1.00 13 .50 ATOM 626 O ASN 66 15.822 -0.693 22.219 1.00 11 .14 ATOM 627 N GLY 67 16.013 -0.514 19.997 1.00 10 .89 ATOM 628 H GLY 67 16.594 -0.368 19.219 1.00 0 .00 ATOM 629 CA GLY 67 14.604 -0.731 19.757 1.00 5 .16 ATOM 630 C GLY 67 13.780 0.521 19.903 1.00 5, .50 ATOM 631 O GLY 67 12.551 0.429 19.953 1.00 4 .32 ATOM 632 N THR 68 14.402 1.679 20.083 1.00 5. .74 ATOM 633 H THR 68 15.364 1.730 20.241 1.00 0, .00 ATOM 634 CA THR 68 13.602 2.891 20.096 1.00 10. .10 ATOM 635 CB THR 68 14.274 3.962 21.038 1.00 7. .70 ATOM 636 OG1 THR 68 15.602 4.200 20.634 1.00 6. .50 ATOM 637 HG1 THR 68 16.204 3.718 21.205 1.00 0. .00 ATOM 638 CG2 THR 68 14.284 3.486 22.482 1.00 6. .39 ATOM 639 C THR 68 13.465 3.376 18.643 1.00 10. .84 ATOM 640 O THR 68 14.033 2.800 17.706 1.00 8. .07 ATOM 641 N TYR 69 12.687 4.417 18.438 1.00 11. .31 ATOM 642 H TYR 69 12.312 4.893 19.205 1.00 0. ,00 ATOM 643 CA TYR 59 12.398 4.956 17.143 1.00 8. ,56 ATOM 644 CB TYR 69 10.914 4.793 16.881 1.00 10. ,27 ATOM 645 CG TYR 69 10.494 3.343 16.804 1.00 9. 08 ATOM 646 CDl TYR 69 10.116 2.661 17.959 1.00 11. 62 ATOM 647 CEI TYR 69 9.769 1.316 17.883 1.00 15. ,89 ATOM 648 CD2 TYR 69 10.525 2.691 15.571 1.00 12. ,19 ATOM 649 CE2 TYR 69 10.178 1.342 15.490 1.00 16. 67 ATOM 650 CZ TYR 69 9.798 0.654 16.647 1.00 20. 73 ATOM 651 OH TYR 69 9.417 -0.682 16.573 1.00 17. ,13 ATOM 652 HH TYR 69 9.258 -0.922 15.649 1.00 0. 00 ATOM 653 C TYR 69 12.784 6.416 17.202 1.00 10. 11 ATOM 654 O TYR 69 12.428 7.111 18.163 1.00 14. 34 ATOM 655 N ALA 70 13.510 6.930 16.224 1.00 12. 39 ATOM 656 H ALA 70 13.836 6.347 15.502 1.00 0. 00 245 TITUTE SHEET (RULE 25) ATOM 657 CA ALA 70 13.886 8.334 16.185 1.00 10.82 ATOM 658 CB ALA 70 15 .239 8 .583 16 .848 1 .00 2 .00 ATOM 659 C ALA 70 14 .013 8 .833 14 .753 1 .00 12 .46 ATOM 660 O ALA 70 14 .523 8 .112 13 .875 1 .00 13 .59 ATOM 661 N ILE 71 13 .533 10 .060 14 .503 1 .00 12 .16 ATOM 662 H ILE 71 13 .071 10 .526 15 .230 1 .00 0 .00 ATOM 663 CA ILE 71 13 .773 10 .777 13 .252 1 .00 8 .89 ATOM 664 CB ILE 71 12 .896 12 .060 13 .195 1, .00 8 .93 ATOM 665 CG2 ILE 71 13 .255 12, .885 11 .969 1, .00 7 .48 ATOM 666 CGI ILE 71 11 .433 11. .675 13 .158 1. .00 2, .00 ATOM 667 CD ILE 71 10 .520 12, .881 13 .246 1. .00 4, .76 ATOM 668 C ILE 71 15, .260 11. .117 13, .332 1. .00 11. .20 ATOM 669 O ILE 71 15, .714 11. .412 14, .446 1. .00 13. .25 ATOM 670 N ALA 72 16, .085 11. .069 12. .277 1. .00 11. .89 ATOM 671 H ALA 72 15, .694 10. .895 11, .392 1. .00 0. .00 ATOM 672 CA ALA 72 17, .517 11. .313 12. .436 1. .00 14. .12 ATOM 673 CB ALA 72 18. .258 11. .340 11. .128 1. ,00 12. .87 ATOM 674 C ALA 72 17. .808 12. .650 13. .095 1. ,00 15. .57 ATOM 675 O ALA 72 17. .219 13. .669 12. .737 1. .00 13. .25 ATOM 676 N GLY 73 18. .672 12. .625 14. .108 1. .00 16. .33 ATOM 677 H GLY 73 19. .112 11. .771 14. .299 1. ,00 0. .00 ATOM 678 CA GLY 73 19. .052 13. .798 14. .882 1. ,00 11. .52 ATOM 679 C GLY 73 17. .960 14. .265 15. .834 1. ,00 14. .51 ATOM 680 O GLY 73 18. .049 15. .366 16. .389 1. ,00 17. .12 ATOM 681 N GLY 74 16. .920 13. .456 16. .033 1. ,00 13. .85 ATOM 682 H GLY 74 16. .913 12. .572 15. .613 1. ,00 0, .00 ATOM 683 CA GLY 74 15. .824 13. .787 16. .906 1. ,00 9. .77 ATOM 684 C GLY 74 15. .825 12. .895 18. .126 1. .00 13. .72 ATOM 685 O GLY 74 16. .649 11. .983 18. .268 1. .00 12. .11 ATOM 686 N LYS 75 14. .817 13. .150 18. .960 1. .00 12. .83 ATOM 687 H LYS 75 14. .144 13. .806 18. .678 1. ,00 0. .00 ATOM 688 CA LYS 75 14. .668 12. ,437 20. .215 1. ,00 14. .60 ATOM 689 CB LYS 75 13. .695 13. .172 21. .136 1. ,00 15. .05 ATOM 690 CG LYS 75 14. .384 14. .383 21. .707 1. .00 11. .11 ATOM 691 CD LYS 75 13. .518 15. .120 22. .693 1. .00 13, .01 ATOM 692 CE LYS 75 14, .260 16. .420 22. .919 1. .00 12, .46 ATOM 693 NZ LYS 75 13, .448 17. .330 23. .676 1. .00 21 .36 ATOM 694 HZ1 LYS 75 12, .515 17. .427 23. .225 1. .00 0 .00 ATOM 695 HZ2 LYS 75 13, .918 18. .257 23, .714 1. .00 0 .00 246 - ATOM 696 HZ3 LYS 75 13.329 16.962 24.643 l.CO 0.00 ATOM 697 C LYS 75 14.178 11.018 20.033 l.CO 16.16 ATOM 698 0 LYS 75 13.270 10.809 19.220 1.00 17.70 ATOM 699 N ALA 76 14.734 10.048 20.761 1.00 13.81 ATOM 700 H ALA 76 15.503 10.266 21.322 1.00 0.00 ATOM 701 CA ALA 76 14.257 8.684 20.683 1.00 10.95 ATOM 702 CB ALA 76 15.291 7.721 21.213 1.00 11.99 ATOM 703 C ALA 76 12.977 8.477 21.464 1.00 10.10 ATOM 704 O ALA 76 12.624 9.208 22.399 l.CO 11.36 ATOM 705 N HIS 77 12.180 7.515 21.027 1.00 6.45 ATOM 706 H HIS 77 12.464 6.969 20.258 1.00 0.00 ATOM 707 CA HIS 77 10.911 7.205 21.658 1.00 8.09 ATOM 708 CB HIS 77 9.751 7.778 20.879 l.CO 8.53 ATOM 709 CG HIS 77 9.907 9.264 20.582 1.00 8.60 ATOM 710 CD2 HIS 77 9.429 10.268 21.371 1.00 9.12 ATOM 711 NDI HIS 77 10.514 9.833 19.550 1.00 9.19 ATOM 712 HD1 HIS 77 11.053 9.394 18.851 1.00 0.00 ATOM 713 CEI HIS 77 10.418 11.122 19.680 1.00 2.93 ATOM 714 NE2 HIS 77 9.768 11.368 20.778 1.00 9.32 ATOM 715 HE2 HIS 77 9.596 12.266 21.126 1.00 0.00 ATOM 716 C HIS 77 10.745 5.702 21.692 1.00 11.51 ATOM 717 O HIS 77 11.253 4.990 20.834 1.00 12.04 ATOM 718 N CYS 78 10.033 5.169 22.660 1.00 12.82 ATOM 719 H CYS 78 9.625 5.747 23.326 1.00 0.00 ATOM 720 CA CYS 78 9.884 3.735 22.776 l.CO 14.28 ATOM 721 CB CYS 78 9.381 3.354 24.175 1.00 11.77 ATOM 722 SG CYS 78 10.796 3.369 25.280 1.00 9.90 ATOM 723 C CYS 78 8.960 3.126 21.757 1.00 16.98 ATOM 724 O CYS 78 9.005 1.908 21.557 1.00 17.80 ATOM 725 N GLY 79 8.128 3.943 21.113 1.00 15.68 ATOM 726 H GLY 79 8.169 4.912 21.228 1.00 0.00 ATOM 727 CA GLY 79 7.212 3.410 20.145 1.00 11.88 ATOM 728 C GLY 79 6.762 4.509 19.210 1.00 14.80 ATOM 729 O GLY 79 7.015 5.682 19.512 1.00 12.62 ATOM 730 N PRO 80 6.089 4.186 18.089 1.00 16.78 ATOM 731 CD PRO 80 6.052 2.849 17.491 1.00 13.56 ATOM 732 CA PRO 80 5.496 5.158 17.187 1.00 15.14 ATOM 733 CB PRO 80 5.005 4.318 16.015 1.00 18.70 ATOM 734 CG PRO 80 4.852 2.933 16.571 1.00 14.52 247 WO 97/08300 PPC CTT//US96/13918 ATOM 735 C PRO 80 4.425 6.013 17.827 1 .00 13 .25 ATOM 736 O PRO 80 4.390 7.209 17.551 1 .00 13 .75 ATOM 737 N ALA 81 3.582 5.470 18.715 1 .00 11 .81 ATOM 738 H ALA 81 3.648 4.511 18.927 1 .00 0 .00 ATOM 739 CA ALA 81 2.560 6.256 19.378 1 .00 8 .01 ATOM 740 CB ALA 81 1.696 5.401 20.259 1 .00 10 .17 ATOM 741 C ALA 81 3.217 7.301 20.270 1 .00 14 .13 ATOM 742 0 ALA 81 2.759 8.447 20.315 1 .00 19, .64 ATOM 743 N GLU 82 4.317 6.966 20.950 1, .00 8, .88 ATOM 744 H GLU 82 4.675 6.068 20.827 1. .00 0. .00 ATOM 745 CA GLU 82 4.998 7.900 21.810 1. .00 8. .22 ATOM 746 CB GLU 82 6.055 7.211 22.673 1. .00 12. .54 ATOM 747 CG GLU 82 5.510 6.345 23.801 1. .00 15. .92 ATOM 748 CD GLU 82 5.248 4.903 23.391 1. ,00 21. .02 ATOM 749 OEI GLU 82 5.898 4.019 23.922 1. ,00 19. .20 ATOM 750 OE2 GLU 82 4.403 4.643 22.545 1. .00 30. .40 ATOM 751 C GLU 82 5.683 8.982 21.007 1. .00 7. .91 ATOM 752 O GLU 82 5.772 10.112 21.482 1. .00 8. .06 ATOM 753 N LEU 83 6.177 8.672 19.799 1. ,00 9. .05 ATOM 754 H LEU 83 6.060 7.759 19.462 1. .00 0. .00 ATOM 755 CA LEU 83 6.804 9.659 18.938 1. .00 4. .91 ATOM 756 CB LEU 83 7.521 8.966 17.736 1. .00 3. .58 ATOM 757 CG LEU 83 8.272 9.829 16.683 1. .00 7. .47 ATOM 758 CDl LEU 83 9.480 9.086 16.219 1. ,00 2. .00 ATOM 759 CD2 LEU 83 7.357 10.216 15.524 1. ,00 2. .00 ATOM 760 C LEU 83 5.752 10.640 18.449 1. .00 4. .63 ATOM 761 O LEU 83 5.988 11.849 18.544 1. .00 5. .60 ATOM 762 N CYS 84 4.602 10.164 17.973 1. .00 8. .55 ATOM 763 H CYS 84 4.494 9.192 17.890 1. .00 0. .00 ATOM 764 CA CYS 84 3.548 11.027 17.482 1. .00 8. .64 ATOM 765 CB CYS 84 2.503 10.168 16.756 1. .00 5. .54 ATOM 766 SG CYS 84 3.177 9.486 15.221 1. .00 11. .42 ATOM 767 C CYS 84 2.926 11.826 18.615 1. .00 12. .17 ATOM 768 O CYS 84 2.575 12.979 18.399 1. .00 11, .99 ATOM 769 N GLU 85 2.806 11.294 19.835 1. .00 15, .31 ATOM 770 H GLU 85 3.004 10.339 19.935 1, .00 0 .00 ATOM 771 CA GLU 85 2.350 12.030 21.007 1, .00 12 .31 ATOM 772 CB GLU 85 2.212 11.121 22.207 1. .00 19, .90 ATOM 773 CG GLU 85 0.815 10.555 22.406 1, .00 31, .63 248 - ATOM 774 CD GLU 85 0.658 9.495 23.503 1.00 39.27 ATOM 775 OEI GLU 85 -0.477 9.081 23.738 1.00 41.21 ATOM 776 OE2 GLU 85 1.642 9.071 24.118 1.00 42.94 ATOM 777 C GLU 85 3.333 13.125 21.372 1.00 6.87 ATOM 778 O GLU 85 2.920 14.260 21.571 1.00 10.13 ATOM 779 N PHE 86 4.631 12.861 21.416 1.00 4.59 ATOM 780 H PHE 86 4.937 11.944 21.248 1.00 0.00 ATOM 781 CA PHE 86 5.603 13.890 21.725 1.00 6.95 ATOM 782 CB PHE 86 6.999 13.293 21.764 1.00 4.93 ATOM 783 CG PHE 86 8.114 14.317 21.932 1.00 5.40 ATOM 784 CDl PHE 86 8.400 14.831 23.201 1.00 2.19 ATOM 785 CD2 PHE 86 8.808 14.781 20.807 1.00 2.76 ATOM 786 CEI PHE 86 9.375 15.816 23.336 1.00 2.93 ATOM 787 CE2 PHE 86 9.781 15.765 20.944 1.00 2.30 ATOM 788 CZ PHE 86 10.064 16.284 22.212 1.00 5.55 ATOM 789 C PHE 86 5.575 15.027 20.720 1.00 9.00 ATOM 790 O PHE 86 5.446 16.187 21.109 1.00 14.30 ATOM 791 N TYR 87 5.653 14.760 19.418 1.00 11.37 ATOM 792 H TYR 87 5.691 13.826 19.113 1.00 0.00 ATOM 793 CA TYR 87 5.666 15.833 18.446 1.00 6.03 ATOM 794 CB TYR 87 6.110 15.254 17.139 1.00 3.16 ATOM 795 CG TYR 87 7.591 14.946 17.117 1.00 2.00 ATOM 796 CDl TYR 87 8.021 13.631 17.046 1.00 5.05 ATOM 797 CEI TYR 87 9.391 13.356 16.974 1.00 8.26 ATOM 798 CD2 TYR 87 8.525 15.979 17.117 1.00 2.00 ATOM 799 CΞ2 TYR 87 9.891 15.713 17.042 1.00 2.00 ATOM 800 CZ TYR 87 10.316 14.396 16.974 1.00 6.27 ATOM 801 OH TYR 87 11.668 14.102 16.932 1.00 7.53 ATOM 802 HH TYR 87 12.181 14.910 17.066 1.00 0.00 ATOM 803 C TYR 87 4.352 16.586 18.305 1.00 3.38 ATOM 804 O TYR 87 4.319 17.653 17.702 1.00 5.53 ATOM 805 N SER 88 3.248 16.094 18.857 1.00 7.17 ATOM 806 H SER 88 3.264 15.179 19.207 1.00 0.00 ATOM 807 CA SER 88 2.009 16.852 18.979 1.00 6.67 ATOM 808 CB SER 88 0.860 15.969 19.425 1.00 6.09 ATOM 809 OG SER 88 0.561 14.907 18.539 1.00 23.12 ATOM 810 HG SER 88 1.351 14.368 18.429 1.00 0.00 ATOM 811 C SER 88 2.160 17.942 20.036 1.00 9.31 ATOM 812 O SER 88 1.486 18.970 19.995 1.00 5.17 249 ATOM 813 N ARG 89 3.017 17.673 21.027 1.00 15.78 ATOM 814 H ARG 89 3 .530 16 .838 20 .985 1 .00 0 .00 ATOM 815 CA ARG 89 3 .262 18 .543 22 .175 1 .00 19 .64 ATOM 816 CB ARG 89 3 .587 17 .742 23 .444 1 .00 18 .92 ATOM 817 CG ARG 89 2 .563 16 .693 23 .853 1 .00 28 .31 ATOM 818 CD ARG 89 2 .997 15 .851 25 .067 1 .00 36 .85 ATOM 819 NE ARG 89 4 .239 15 .083 24 .955 1 .00 42 .21 ATOM 820 HE ARG 89 5 .061 15 .540 24 .679 1 .00 0 .00 ATOM 821 CZ ARG 89 4 .296 13 .764 25 .223 1, .00 44 .61 ATOM 822 NHI ARG 89 3. .207 13 .079 25 .601 1, .00 46, .06 ATOM 823 HH11 ARG 89 2 .324 13 .538 25 .696 1, .00 0. .00 ATOM 824 HH12 ARG 89 3 .280 12 .100 25 .792 1. .00 0 .00 ATOM 825 NH2 ARG 89 5 .469 13 .119 25, .157 1, .00 44, .47 ATOM 826 HH21 ARG ' 89 6, .295 13, .619 24, .899 1. .00 0, .00 ATOM 827 HH22 ARG 89 5. .518 12, .140 25. .357 1. .00 0, .00 ATOM 828 C ARG 89 4. .444 19, .469 21. .928 1. .00 18. .88 ATOM 829 O ARG 89 4. .507 20. .553 22. .493 1. .00 20. .00 ATOM 830 N ASP 90 5. .421 19. .082 21. .131 1. .00 18. .60 ATOM 831 H ASP 90 5. .407 18. .181 20. .738 1. .00 0. .00 ATOM 832 CA ASP 90 6, .582 19. .891 20. .903 1. ,00 16. .39 ATOM 833 CB ASP 90 7. .626 19. .502 21. .966 1. ,00 12. .09 ATOM 834 CG ASP 90 8. .925 20. .286 22. .048 1. ,00 10. .44 ATOM 835 ODI ASP 90 9, .737 19. .962 22. .905 1. .00 21. .16 ATOM 836 OD2 ASP 90 9, .156 21. .203 21. .267 1. .00 19. .94 ATOM 837 C ASP 90 7. .039 19. .587 19. .478 1. .00 19. .96 ATOM 838 O ASP 90 7, .512 18. .482 19. .202 1. .00 20. .24 ATOM 839 N PRO 91 6, .917 20. .560 18. .560 1. ,00 15. .46 ATOM 840 CD PRO 91 6, .233 21. .831 18. .781 1. ,00 17. .20 ATOM 841 CA PRO 91 7. .434 20. .495 17. .196 1. .00 14. .01 ATOM 842 CB PRO 91 7, .287 21. .916 16. .672 1. .00 16. .08 ATOM 843 CG PRO 91 7, .060 22. .761 17. .913 1. .00 12. .13 ATOM 844 C PRO 91 8, .844 19. .968 17. .102 1. .00 14. .28 ATOM 845 O PRO 91 9. .173 19. .194 16. .210 1. .00 16. .05 ATOM 846 N ASP 92 9. .683 20. .419 18. .028 1. .00 12. .31 ATOM 847 H ASP 92 9. .364 21. .117 18. .631 1. .00 0. .00 ATOM 848 CA ASP 92 11. .043 19. .991 18. .195 1. .00 10, .93 ATOM 849 CB ASP 92 11. .007 18. .818 19, .198 1. .00 5, .10 ATOM 850 CG ASP 92 12. .355 18. .438 19, .826 1. .00 8 .25 ATOM 851 ODI ASP 92 13, .246 19, .264 20, .003 1, .00 14 .68 250 ATOM 852 OD2 ASP 92 12.549 17.275 20.136 1.00 12.78 ATOM 853 C ASP 92 11 .829 19 .653 16 .932 1 .00 12 .54 ATOM 854 O ASP 92 12 .501 18 .619 16 .798 1 .00 13 .03 ATOM 855 N GLY 93 11 .772 20 .607 16 .009 1 .00 12 .18 ATOM 856 H GLY 93 11 .235 21 .419 16 .141 1 .00 0 .00 ATOM 857 CA GLY 93 12 .563 20 .488 14 .786 1 .00 13 .73 ATOM 858 C GLY 93 11 .725 20 .330 13 .537 1 .00 8 .10 ATOM 859 O GLY 93 12 .192 20 .497 12 .408 1 .00 11 .87 ATOM 860 N LEU 94 10 .493 19 .914 13 .762 1 .00 4 .57 ATOM 861 H LEU 94 10 .225 19 .703 14 .675 1 .00 0 .00 ATOM 862 CA LEU 94 9 .523 19 .788 12 .708 1, .00 10 .89 ATOM 863 CB LEU 94 8 .308 19. .012 13 .188 1. .00 3. .94 ATOM 864 CG LEU 94 8 .411 17 .587 13 .597 1. .00 3. .94 ATOM 865 CDl LEU 94 7, .031 17, .090 13 .966 1. .00 2. .31 ATOM 866 CD2 LEU 94 8 .999 16, .780 12 .463 1. .00 11. .05 ATOM 867 C LEU 94 9, .063 21, .176 12, .237 1. .00 13. .55 ATOM 868 O LEU 94 9 .223 22, .166 12 .969 1. .00 11. .66 ATOM 869 N PRO 95 8, .485 21, .309 11, .034 1. .00 14. .27 ATOM 870 CD PRO 95 8, .563 20. .350 9, .925 1. .00 7, .51 ATOM 871 CA PRO 95 7, .915 22. .559 10, .591 1. .00 13. .61 ATOM 872 CB PRO 95 7. .452 22. .217 9, .186 1. ,00 10. .57 ATOM 873 CG PRO 95 7. .348 20. .732 9, .137 1. ,00 8. .09 ATOM 874 C PRO 95 6. .847 23. .113 11. .518 1. ,00 13. .42 ATOM 875 O PRO 95 6. .668 24. .329 11. .647 1. ,00 16. .04 ATOM 876 N CYS 96 6. .072 22. .244 12. .136 1. .00 14. .57 ATOM 877 H CYS 96 6. .248 21. .287 12. .022 1. 00 0. .00 ATOM 878 CA CYS 96 5. .039 22. .624 13. .080 1. 00 12. .49 ATOM 879 CB CYS 96 3. .753 23. ,076 12. .334 1. 00 13. ,81 ATOM 880 SG CYS 96 2. .809 22. ,013 11. .202 1. 00 10. ,86 ATOM 881 C CYS 96 4. ,764 21. 420 13. ,974 1. 00 11. ,03 ATOM 882 O CYS 96 5. .459 20. ,411 13. .826 1. 00 10. .72 ATOM 883 N ASN 97 3. .839 21. ,448 14. .931 1. 00 8. .03 ATOM 884 H ASN 97 3. .208 22. ,196 15. .012 1. 00 0. .00 ATOM 885 CA ASN 97 3. ,559 20. ,279 15. .739 1. 00 7. ,35 ATOM 886 CB ASN 97 3. ,041 20. 641 17. .155 1. 00 4. ,07 ATOM 887 CG ASN 97 1. ,691 21. 326 17. ,216 1. 00 6. ,44 ATOM 888 ODI ASN 97 1. ,546 22. 385 16. ,618 1. 00 17. ,31 ATOM 889 ND2 ASN 97 0. 651 20. 865 17. 900 1. 00 6. ,94 ATOM 890 HD21 ASN 97 0. 764 20. 069 18. 469 1. 00 0. ,00 251 ATOM 891 HD22 ASN 97 0.206 21.300 17.743 1.00 0.00 ATOM 892 C ASN 97 2 .486 19 .489 15 .026 1 .00 8. .28 ATOM 893 O ASN 97 1 .770 19 .991 14. .156 1 .00 10, .98 ATOM 894 N LEU 98 2, .347 18, .236 15, .423 1. .00 12. .14 ATOM 895 H LEU 98 2 .886 17 .927 16, .180 1. .00 0, .00 ATOM 896 CA LEU 98 1, .356 17 .353 14, .839 1. .00 10, .83 ATOM 897 CB LEU 98 1, .685 15. .889 15. .187 1. .00 7. .32 ATOM 898 CG LEU 98 3, .068 15, .393 14. .737 1. .00 6. .54 ATOM 899 CDl LEU 98 3, .206 13. .928 15. .097 1. .00 7. .62 ATOM 900 CD2 LEU 98 3. .254 15. .611 13. .231 1. .00 2. .41 ATOM 901 C LEU 98 0. .019 17, .761 15. .393 1. .00 9. .96 ATOM 902 O LEU 98 0, .117 17, .920 16. .599 1. .00 14. .76 ATOM 903 N ARG 99 0. .969 17. .998 14. .552 1. .00 12. .00 ATOM 904 H ARG 99 0, .853 17. .785 13. .605 1. .00 0. .00 ATOM 905 CA ARG 99 2. .257 18. .422 15. .030 1. .00 11. .66 ATOM 906 CB ARG 99 2. .520 19. .819 14. .458 1. ,00 12. .20 ATOM 907 CG ARG 99 1. .461 20. .810 14. .959 1. .00 9. ,52 ATOM 908 CD ARG 99 1. .525 22. .166 14. .292 1. .00 10. .29 ATOM 909 NE ARG 99 0. .269 22. .879 14. .499 1. .00 11. ,13 ATOM 910 HE ARG 99 0. .463 22. .410 14. .946 1. .00 0. .00 ATOM 911 CZ ARG 99 0, .038 24. .108 14. .024 1. .00 6. .20 ATOM 912 NHI ARG 99 0. .942 24. .777 13. .321 1. .00 10. .93 ATOM 913 HH11 ARG 99 1. .836 24. .374 13. .127 1. .00 0. .00 ATOM 914 HH12 ARG 99 0, .723 25. .694 12. .986 1. .00 0. .00 ATOM 915 NH2 ARG 99 1. .126 24. .694 14. .265 1. ,00 4. .38 ATOM 916 HH21 ARG 99 1, .813 24. .226 14. .820 1. .00 0. .00 ATOM 917 HH22 ARG 99 1, .302 25. .617 13. .927 1. .00 0. .00 ATOM 918 C ARG 99 3, .269 17. .374 14. .595 1. .00 16. .11 ATOM 919 O ARG 99 3, .328 16. .338 15. .272 1. .00 19. .03 ATOM 920 N LYS 100 4, .050 17. .477 13. .516 1, .00 16, .69 ATOM 921 H LYS 100 ■ 3. .918 18. .213 12. .869 1, .00 0, .00 ATOM 922 CA LYS 100 5, .053 16, .439 13. .215 1, .00 20, .22 ATOM 923 CB LYS 100 6 .150 17 .030 12. .293 1 .00 22 .25 ATOM 924 CG LYS 100 ■7 .259 16. .096 11. .791 1. .00 30 .42 ATOM 925 CD LYS 100 7 .988 16 .782 10. .629 1 .00 38 .20 ATOM 926 CE LYS 100 8 .924 15 .887 9 .811 1 .00 42 .38 ATOM 927 NZ LYS 100 •8 .227 14 .874 9 .034 1 .00 46 .25 ATOM 928 HZ1 LYS 100 ■7 .665 14 .285 9 .681 1 .00 0 .00 ATOM 929 HZ2 LYS 100 ■7 .598 15 .329 8 .342 1 .00 0 .00 - 252 ATOM 930 HZ3 LYS 100 -8.923 14.282 8.536 1.00 0.00 ATOM 931 C LYS 100 -4 .432 15 .183 12 .566 1 .00 16 .85 ATOM 932 0 LYS 100 -3 .696 15 .275 11 .569 1 .00 15 .54 ATOM 933 N PRO 101 -4 .669 13 .987 13 .131 1 .00 13 .08 ATOM 934 CD PRO 101 -5 .370 13 .784 14 .388 1 .00 7 .49 ATOM 935 CA PRO 101 -4 .277 12 .708 12 .564 1 .00 11 .31 ATOM 936 CB PRO 101 -4 .602 11 .755 13 .678 1 .00 6 .33 ATOM 937 CG PRO 101 ■ 5 .819 12 .361 14 .308 1 .00 3 .78 ATOM 938 C PRO 101 •5 .030 12 .465 11 .269 1 .00 10 .35 ATOM 939 O PRO 101 ■ 6 .262 12 .590 11 .215 1 .00 12 .69 ATOM 940 N CYS 102 ■ 4, .343 12 .176 10 .182 1. .00 9 .14 ATOM 941 H CYS 102 ■ 3, .391 12 .015 10 .264 1, .00 0 .00 ATOM 942 CA CYS 102 ■ 5, .048 11, .857 8 .941 1. .00 11, .88 ATOM 943 CB CYS 102 •4, .153 12 .171 7 .768 1, .00 11, .92 ATOM 944 SG CYS 102 ■ 4, .935 11, .867 6 .165 1. .00 13, .71 ATOM 945 C CYS 102 ■ 5. .393 10, .362 9, .002 1. .00 12. .91 ATOM 946 O CYS 102 ■ 4, .678 9, .431 8 .600 1. .00 11. .19 ATOM 947 N ASN 103 ■ 6. .550 10. .168 9, .618 1. .00 10. .89 ATOM 948 H ASN 103 •7. .043 10. .958 9, .927 1. .00 0. .00 ATOM 949 CA ASN 103 ■7. .044 8, .843 9, .919 1. .00 11. .19 ATOM 950 CB ASN 103 8. .144 8. .940 10. .978 1. ,00 8. .17 ATOM 951 CG ASN 103 7. .592 9. .244 12. .364 1. .00 8. .17 ATOM 952 ODI ASN 103 ■ 6. .421 9. .068 12. .663 1. .00 15. .63 ATOM 953 ND2 ASN 103 ■ 8. .372 9. .703 13. .314 1. ,00 15. .55 ATOM 954 HD21 ASN 103 9. .323 9, .825 13, .123 1. .00 0. .00 ATOM 955 HD22 ASN 103 7. .943 9. .918 14. .169 1. ,00 0. .00 ATOM 956 C ASN 103 7. ,569 8. .118 8. .716 1. ,00 8. ,63 ATOM 957 O ASN 103 8. ,330 8. .700 7. .939 1. ,00 9. .71 ATOM 958 N ARG 104 7. ,178 6. .847 8. .614 1. 00 9. ,83 ATOM 959 H ARG 104 6. ,631 6. .474 9. .337 1. 00 0. ,00 ATOM 960 CA ARG 104 7. .597 5. .971 7. .538 1. ,00 6. .25 ATOM 961 CB ARG 104 7. ,267 4. .514 7. .782 1. ,00 8. ,62 ATOM 962 CG ARG 104 5. .860 3. .941 7. .783 1. ,00 3. .24 ATOM 963 CD ARG 104 6. .139 2. .498 8. .209 1. ,00 10. .70 ATOM 964 NE ARG 104 5. ,367 2. .175 9. .396 1. 00 18. ,79 ATOM 965 HE ARG 104 4. ,399 2. .204 9. .337 1. ,00 0. .00 ATOM 966 CZ ARG 104 5. 879 1. ,729 10. .539 1. 00 21. .66 ATOM 967 NHI ARG 104 7. 180 1. ,522 10. .699 1. 00 28. ,57 ATOM 968 HH11 ARG 104 7. 808 1. ,680 9. .936 1. ,00 0. ,00 253 ATOM 969 HH12 ARG 104 -1.523 1.167 11.568 1.00 0.00 ATOM 970 NH2 ARG 104 -5 .056 1 .550 11 .575 1 .00 30 .06 ATOM 971 HH21 ARG 104 -4 .083 1 .765 11 .484 1 .00 0 .00 ATOM 972 HH22 ARG 104 -5 .413 1 .212 12 .445 1 .00 0 .00 ATOM 973 C ARG 104 -9 .101 6 .043 7 .449 1 .00 9 .23 ATOM 974 O ARG 104 -9 .787 6 .062 8 .477 1 .00 11 .51 ATOM 975 N PRO 105 -9 .660 6 .168 6 .249 1, .00 13 .97 ATOM 976 CD PRO 105 -8 .924 6 .498 5 .033 1, .00 10 .44 ATOM 977 CA PRO 105 • 11 .091 6 .079 6 .010 1 .00 14 .04 ATOM 978 CB PRO 105 11 .213 6 .227 4 .521 1. .00 16. .08 ATOM 979 CG PRO 105 10 .017 7 .060 4 .161 1, .00 15. .10 ATOM 980 C PRO 105 11 .695 4 .775 6 .517 1, .00 18, .06 ATOM 981 O PRO 105 10, .991 3. .768 6, .660 1. .00 18. .50 ATOM 982 N SER 106 12, .999 4. .738 6 .776 1. .00 21. .15 ATOM 983 H SER 106 ■ 13. .535 5 .558 6 .746 1. .00 0. .00 ATOM 984 CA SER 106 13. .664 3. .505 7, .149 1. .00 21. .87 ATOM 985 CB SER 106 15. .140 3. .789 7. .401 1. ,00 22. .16 ATOM 986 OG SER 106 ■ 15. .313 4. .735 8. .445 1. .00 25. .97 ATOM 987 HG SER 106 14. .780 4. .508 9. .214 1. ,00 0. ,00 ATOM 988 C SER 106 13. .520 2. .430 6. .063 1. ,00 23. .43 ATOM 989 O SER 106 13. .672 2. .683 4. .865 1. ,00 20. .97 ATOM 990 N GLY 107 13. .132 1. .232 6. .509 1. ,00 21. .55 ATOM 991 H GLY 107 12. .849 1, .128 7. .440 1. ,00 0. .00 ATOM 992 CA GLY 107 12. .980 0. .119 5. .609 1. .00 20. .51 ATOM 993 C GLY 107 11. .576 0. .059 5. ,036 1. 00 24. ,96 ATOM 994 O GLY 107 11. .188 -0. .959 4. ,456 1. 00 27. .67 ATOM 995 N LEU 108 10. .765 1. .111 5. .178 1. ,00 22. .03 ATOM 996 H LEU 108 11. ,032 1. .900 5. .692 1. .00 0. .00 ATOM 997 CA LEU 108 -9. ,414 1. .042 4. .673 1. ,00 16. .09 ATOM 998 CB LEU 108 -8. ,874 2. .413 4. .278 1. ,00 12. .09 ATOM 999 CG LEU 108 -7. ,414 2. .431 3. .836 1. ,00 10. .25 ATOM 1000 CDl LEU 108 -7. .261 1. .578 2. .612 1. ,00 11. .68 ATOM 1001 CD2 LEU 108 -6. .960 3. .852 3. .576 1. .00 12. .09 ATOM 1002 C LEU 108 -8. .654 0. .500 5. .862 1. .00 12. .99 ATOM 1003 O LEU 108 -8. .771 0. .954 7. .001 1. .00 12. .44 ATOM 1004 N GLU 109 -7. .921 -0. .543 5. .533 1. .00 14. .56 ATOM 1005 H GLU 109 -7. .853 -0. .782 4, .585 1. .00 0. .00 ATOM 1006 CA GLU 109 -7. .127 -1. .275 6. .481 1. .00 13. .90 ATOM 1007 CB GLU 109 -7. .309 -2. .773 6. .230 1. .00 19. .29 254 ATOM 1008 CG GLU 109 -8.738 -3.284 6.141 1.00 29.48 ATOM 1009 CD GLU 109 -9.520 -3 .230 7 .441 1 .00 40 .66 ATOM 1010 OEI GLU 109 -10.270 -2 .277 7 .666 1 .00 45 .63 ATOM 1011 OE2 GLU 109 -9.388 -4 .168 8 .223 1 .00 51 .26 ATOM 1012 C GLU 109 -5.695 -0 .866 6 .231 1 .00 8 .40 ATOM 1013 O GLU 109 -5.398 -0 .456 5 .114 1 .00 10 .50 ATOM 1014 N PRO 110 -4.758 -0 .979 7 .155 1 .00 5 .95 ATOM 1015 CD PRO 110 -4.984 -1 .282 8 .564 1 .00 5 .24 ATOM 1016 CA PRO 110 -3.339 -0 .915 6 .861 1 .00 10 .05 ATOM 1017 CB PRO 110 -2.674 -1 .303 8 .175 1 .00 4 .68 ATOM 1018 CG PRO 110 -3.664 -0 .827 9 .198 1 .00 4 .54 ATOM 1019 C PRO 110 -2.896 -1 .785 5 .680 1 .00 7 .66 ATOM 1020 O PRO 110 -3.310 -2 .924 5. .536 1. .00 11. .84 ATOM 1021 N GLN 111 -2.008 -1 .294 4 .838 1. .00 10. .25 ATOM 1022 H GLN 111 -1.653 -0, .395 5, .008 1. .00 0, .00 ATOM 1023 CA GLN 111 -1.593 -1. .998 3 .637 1. .00 8 .90 ATOM 1024 CB GLN 111 -1.157 -0 .944 2, .610 1. .00 2, .00 ATOM 1025 CG GLN 111 -0.638 -1. .453 1, .268 1. .00 8, .79 ATOM 1026 CD GLN 111 -1.646 -2. .233 0. .449 1. .00 5. .34 ATOM 1027 OEI GLN 111 -2.850 -2. .233 0. .684 1. ,00 5. .86 ATOM 1028 NE2 GLN 111 -1.177 -2. .954 -0. .536 1. .00 6. .33 ATOM 1029 HE21 GLN 111 -0.210 -2. .930 -0. .716 1. .00 0. .00 ATOM 1030 HE22 GLN 111 -1.812 -3. .537 -1. .006 1. .00 0. .00 ATOM 1031 C GLN 111 -0.493 -3. .010 3. .891 1. .00 8. .54 ATOM 1032 O GLN 111 0.573 -2. .599 4. .345 1. 00 5. .96 ATOM 1033 N PRO 112 -0.673 -4. .308 3. ,579 1. 00 9. ,29 ATOM 1034 CD PRO 112 -1.931 -4. .872 3. .075 1. ,00 7. .95 ATOM 1035 CA PRO 112 0.366 -5. .332 3. .622 1. 00 5. .72 ATOM 1036 CB PRO 112 -0.244 -6. .558 2. ,999 1. 00 5. .42 ATOM 1037 CG PRO 112 -1.719 -6. ,364 3. ,178 1. 00 5. .05 ATOM 1038 C PRO 112 1.647 -4. ,955 2. 921 1. 00 6. .46 ATOM 1039 O PRO 112 1.636 -4. ,369 1. ,839 1. 00 6. ,87 ATOM 1040 N GLY 113 2.766 -5. .354 3. ,510 1. 00 6. .40 ATOM 1041 H GLY 113 2.703 -5. ,962 4. 274 1. 00 0. ,00 ATOM 1042 CA GLY 113 4.046 -5. 056 2. 945 1. 00 6. ,46 ATOM 1043 C GLY 113 4.653 -6. 303 2. 353 1. 00 8. 56 ATOM 1044 O GLY 113 4.674 -7. 344 3. 011 1. 00 13. ,23 ATOM 1045 N VAL 114 5.213 -6. 187 1. 155 1. 00 4. 67 ATOM 1046 H VAL 114 5.187 -5. 284 0. 757 1. 00 0. ,00 255 - ATOM 1047 CA VAL 114 5.865 -7.249 0.419 1.00 4.61 ATOM 1048 CB VAL 114 6 .315 -6 .694 -0 .990 1 .00 3 .22 ATOM 1049 CGI VAL 114 7 .105 -7 .719 -1 .741 1 .00 3 .86 ATOM 1050 CG2 VAL 114 5 .102 -6 .401 -1 .877 1 .00 2 .00 ATOM 1051 C VAL 114 7 .035 -7 .793 1 .206 1 .00 4 .93 ATOM 1052 O VAL 114 7 .054 -9 .006 1 .413 1, .00 10 .35 ATOM 1053 N PHE 115 7. .975 -1 .002 1 .730 1 .00 6 .39 ATOM 1054 H PHE 115 7 .899 -6 .033 1 .601 1, .00 0 .00 ATOM 1055 CA PHE 115 .090 -7 .562 2 .483 1, .00 6 .83 ATOM 1056 CB PHE 115 10, .118 -6, .486 2, .878 1, .00 7, .30 ATOM 1057 CG PHE 115 11. .542 -6, .975 3, .148 1, .00 2, .90 ATOM 1058 CDl PHE 115 12. .012 -8, .211 2, .690 1, .00 2, .00 ATOM 1059 CD2 PHE 115 12. .423 -6, .132 3, .827 1, .00 7, .94 ATOM 1060 CEI PHE 115 13. .340 -8, .584 2, .900 1, .00 2, .00 ATOM 1061 CE2 PHE 115 13. .756 -6, .511 4, .036 1. .00 4, .71 ATOM 1062 CZ PHE 115 14. .213 -7, .732 3. .568 1. .00 4. .45 ATOM 1063 C PHE 115 8. .579 -8. .229 3. .744 1. .00 6. .82 ATOM 1064 O PHE 115 9. .145 -9. .245 4. .138 1. ,00 10. .26 ATOM 1065 N ASP 116 7. .515 -7. .717 4. .372 1. .00 7. .65 ATOM 1066 H ASP 116 7. .189 -6. .839 4. .082 1. .00 0. .00 ATOM 1067 CA ASP 116 6. .901 -8. .348 5. .542 1. ,00 9. .49 ATOM 1068 CB ASP 116 5. .707 -7. .554 6. .057 1. ,00 3. .65 ATOM 1069 CG ASP 116 5. .989 -6. .246 6. .768 1. ,00 10. .72 ATOM 1070 ODI ASP 116 7. .132 -5. .815 6. .873 1. ,00 10. .46 ATOM 1071 OD2 ASP 116 5. .026 -5. .653 7. .242 1. .00 12. .59 ATOM 1072 C ASP 116 6. .394 -9. .762 5. .278 1. ,00 8. .07 ATOM 1073 O ASP 116 6. .621 -10. .666 6. .092 1. ,00 8. .78 ATOM 1074 N CYS 117 5. .675 -9. .910 4. .162 1. ,00 5. .88 ATOM 1075 H CYS 117 5. .429 -9. .094 3. .680 1. ,00 0. .00 ATOM 1076 CA CYS 117 5. .170 -11. .181 3. .662 1. ,00 7. .52 ATOM 1077 CB CYS 117 4. .341 -10. .980 2. .386 1. ,00 2. .00 ATOM 1078 SG CYS 117 2. .747 -10. .208 2. .720 1. ,00 5. .27 ATOM 1079 C CYS 117 6. .332 -12. .097 3. .342 1. ,00 5. .36 ATOM 1080 O CYS 117 6. .327 -13. .261 3. .729 1. .00 12. .91 ATOM 1081 N LEU 118 7. .372 -11. .579 2. .716 1. .00 2, .00 ATOM 1082 H LEU 118 7. .373 -10. .622 2, .486 1. .00 0, .00 ATOM 1083 CA LEU 118 8. .534 -12. .362 2. .404 1. .00 3 .50 ATOM 1084 CB LEU 118 9. .533 -11. .502 1. .607 1. .00 7, .77 ATOM 1085 CG LEU 118 10. .691 -12. .257 0. .967 1. .00 2, .00 256 ATOM 1086 CDl LEU 118 10.302 -12.739 -0.416 1.00 10.01 ATOM 1087 CD2 LEU 118 11 .873 -11.362 0 .852 1 .00 2 .00 ATOM 1088 C LEU 118 9 .207 -12.888 3 .672 1 .00 7 .78 ATOM 1089 O LEU 118 9 .371 -14.097 3 .878 1 .00 14 .19 ATOM 1090 N ARG 119 9 .570 -11.996 4 .586 1 .00 8 .62 ATOM 1091 H ARG 119 9 .355 -11.059 4 .427 1 .00 0 .00 ATOM 1092 CA ARG 119 10 .267 -12.355 5 .802 1 .00 6 .69 ATOM 1093 CB ARG 119 10 .642 -11.148 6 .609 1 .00 3 .95 ATOM 1094 CG ARG 119 11 .653 -10.284 5 .927 1 .00 4 .79 ATOM 1095 CD ARG 119 11 .994 -9.159 6 .864 1 .00 10 .98 ATOM 1096 NE ARG 119 10 .818 -8.346 7 .066 1 .00 16 .70 ATOM 1097 HE ARG 119 10, .122 -8.329 6 .375 1 .00 0 .00 ATOM 1098 CZ ARG 119 10, .663 -7.617 8. .160 1 .00 19. .41 ATOM 1099 NHI ARG 119 11. .579 -7.589 9 .132 1, .00 24. .20 ATOM 1100 HH11 ARG 119 12. .412 -8.139 9. .057 1. .00 0, .00 ATOM 1101 HH12 ARG 119 11. .421 -7.034 9 .948 1. .00 0. .00 ATOM 1102 NH2 ARG 119 9. .541 -6.930 8. .271 1. .00 17. .87 ATOM 1103 HH21 ARG 119 8. .858 -6.988 7. .541 1. .00 0. .00 ATOM 1104 HH22 ARG 119 9. .373 -6.357 9, .072 1. .00 0. .00 ATOM 1105 C ARG 119 9. .472 -13.239 6. .700 1. .00 7. .52 ATOM 1106 O ARG 119 10. .066 -14.043 7, .407 1. .00 12. .31 ATOM 1107 N ASP 120 8. .151 -13.126 6. .680 1. .00 9. .60 ATOM 1108 H ASP 120 7. .743 -12.422 6. .133 1. .00 0. .00 ATOM 1109 CA ASP 120 7. .299 -13.966 7. .478 1. .00 7. .93 ATOM 1110 CB ASP 120 5. .844 -13.534 7. .320 1. .00 7. .93 ATOM llll CG ASP 120 4. .844 -14.338 8. .161 1. ,00 15. .41 ATOM 1112 ODI ASP 120 4. ,818 -14.250 9. .396 1. .00 15. .27 ATOM 1113 OD2 ASP 120 4. ,075 -15.076 7. .561 1. ,00 17. ,76 ATOM 1114 C ASP 120 7. ,480 -15.388 6. .996 1. 00 13. ,71 ATOM 1115 O ASP 120 7. 696 -16.290 7. .814 1. .00 12. ,77 ATOM 1116 N ALA 121 7. 454 -15.565 5. ,667 1. 00 9. ,90 ATOM 1117 H ALA 121 7. 350 -14.790 5. ,071 1. 00 0. 00 ATOM 1118 CA ALA 121 7. 575 -16.873 5. ,067 1. 00 8. ,78 ATOM 1119 CB ALA 121 7. 243 -16.761 3. 570 1. 00 4. 63 ATOM 1120 C ALA 121 8. 965 -17.446 5. 267 1. 00 6. ,18 ATOM 1121 O ALA 121 9. 119 -18.625 5. 604 1. 00 11. 46 ATOM 1122 N MET 122 10. 012 -16.646 5. 142 1. 00 9. 21 ATOM 1123 H MET 122 9. 854 -15.711 4. 890 1. 00 0. 00 ATOM 1124 CA MET 122 11. 368 -17.142 5. 331 1. 00 12. 95 257 ATOM 1125 CB MET 122 12.397 -16.141 4.868 1.00 13.19 ATOM 1126 CG MET 122 12 .235 -15 .697 3 .430 1 .00 6 .17 ATOM 1127 SD MET 122 13 .633 -14 .669 2 .923 1 .00 13 .61 ATOM 1128 CE MET 122 13 .348 -13 .208 3 .865 1 .00 22 .78 ATOM 1129 C MET 122 11 .665 -17 .462 6 .785 1 .00 15 .80 ATOM 1130 O MET 122 12 .376 -18 .420 7 .076 1 .00 18 .09 ATOM 1131 N VAL 123 11 .153 -16 .686 7 .730 1 .00 17 .27 ATOM 1132 H VAL 123 10 .655 -15 .882 7 .474 1, .00 0 .00 ATOM 1133 CA VAL 123 11 .331 -16, .955 9 .146 1, .00 18, .34 ATOM 1134 CB VAL 123 10 .805 -15 .703 9 .903 1, .00 14 .82 ATOM 1135 CGI VAL 123 10 .469 -15, .927 11 .378 1, .00 7 .76 ATOM 1136 CG2 VAL 123 11 .945 -14, .692 9 .816 1. .00 11, .65 ATOM 1137 C VAL 123 10 .594 -18, .255 9 .500 1. .00 20. .45 ATOM 1138 O VAL 123 11, .187 -19. .111 10, .163 1. .00 22. .11 ATOM 1139 N ARG 124 9, .342 -18. .449 9, .049 1. .00 18. .15 ATOM 1140 H ARG 124 8, .898 -17. .702 8. .593 1. .00 0. .00 ATOM 1141 CA ARG 124 8. .594 -19. .687 9. .247 1. .00 15. .36 ATOM 1142 CB ARG 124 7. .245 -19. .585 8. .554 1. ,00 11. .87 ATOM 1143 CG ARG 124 6. .392 -20. .857 8. .581 1. .00 12. .47 ATOM 1144 CD ARG 124 4. .913 -20. .641 8. .301 1. .00 8. .51 ATOM 1145 NE ARG 124 4. .293 -19. .885 9. .383 1. .00 12. .39 ATOM 1146 HE ARG 124 4. .020 -20. .375 10. .184 1. .00 0. .00 ATOM 1147 CZ ARG 124 4. .085 -18. .568 9. .313 1. ,00 13. .51 ATOM 1148 NHI ARG 124 4. .424 -17. .850 8. .232 1. ,00 11. .97 ATOM 1149 HH11 ARG 124 4. .843 -18. ,283 7. .433 1. .00 0. .00 ATOM 1150 HHl2 ARG 124 4. .251 -16. ,869 8. .234 1. 00 0. .00 ATOM 1151 NH2 ARG 124 3. .587 -17. ,946 10. .370 1. 00 10. .34 ATOM 1152 HH21 ARG 124 3. ,381 -18. ,461 11. .201 1. 00 0. ,00 ATOM 1153 HH22 ARG 124 3. .424 -16. .959 10. .340 1. ,00 0. .00 ATOM 1154 C ARG 124 9. .360 -20. .879 8. .713 1. ,00 15. .60 ATOM 1155 O ARG 124 9. .503 -21. .882 9. .406 1. ,00 18. .62 ATOM 1156 N ASP 125 9. .926 -20. ,747 7. .519 1. ,00 20. .33 ATOM 1157 H ASP 125 9. .827 -19. ,897 7. .038 1. ,00 0. .00 ATOM 1158 CA ASP 125 10. .715 -21. ,802 6. .909 1. ,00 21. .31 ATOM 1159 CB ASP 125 11. .096 -21. ,389 5. .486 1. ,00 21. .39 ATOM 1160 CG ASP 125 11. .702 -22. ,503 4. .645 1. ,00 27. .25 ATOM 1161 ODI ASP 125 10. .972 -23. ,416 4. .269 1. ,00 34. .81 ATOM 1162 OD2 ASP 125 12. .899 -22. .469 4. .358 1. .00 31, .46 ATOM 1163 C ASP 125 11. .970 -22. .077 7. .727 1. .00 23, .47 - 258 - ATOM 1164 O ASP 125 12.253 -23.230 8.042 1.00 24.12 ATOM 1165 N TYR 126 12 .745 -21 .070 8 .118 1 .00 21 .49 ATOM 1166 H TYR 126 12 .467 -20 .160 7 .902 1 .00 0 .00 ATOM 1167 CA TYR 126 13 .942 -21 .267 8 .901 1 .00 19 .50 ATOM 1168 CB TYR 126 14 .635 -19 .916 9 .133 1 .00 25 .90 ATOM 1169 CG TYR 126 15 .783 -19 .899 10 .150 1 .00 29 .35 ATOM 1170 CDl TYR 126 17 .104 -20 .144 9 .730 1 .00 27 .77 ATOM 1171 CEI TYR 126 18 .145 -20 .102 10 .667 1 .00 31 .52 ATOM 1172 CD2 TYR 126 15 .511 -19 .613 11 .506 1 .00 28 .26 ATOM 1173 CE2 TYR 126 16 .546 -19 .577 12 .439 1 .00 30 .56 ATOM 1174 CZ TYR 126 17 .861 -19 .813 12 .012 1, .00 35, .32 ATOM 1175 OH TYR 126 18 .902 -19 .727 12 .929 1 .00 40, .70 ATOM 1176 HH TYR 126 19 .731 -19, .774 12 .446 1, .00 0, .00 ATOM 1177 C TYR 126 13, .646 -21, .923 10 .239 1. .00 21. .90 ATOM 1178 O TYR 126 14, .406 -22, .816 10 .619 1, .00 25. .30 ATOM 1179 N VAL 127 12. .631 -21. .526 11, .013 1. .00 19. .39 ATOM 1180 H VAL 127 12. .049 -20. .807 10, .687 1. .00 0. .00 ATOM 1181 CA VAL 127 12. .377 -22. .137 12. .317 1. .00 19. .85 ATOM 1182 CB VAL 127 11. .246 -21. .401 13. .053 1. ,00 17. .19 ATOM 1183 CGI VAL 127 10. .876 -22. .108 14. .356 1. ,00 16. .84 ATOM 1184 CG2 VAL 127 11. .731 -20. .002 13. .403 1. ,00 17. .80 ATOM 1185 C VAL 127 12. .011 -23. .603 12. .144 1. ,00 22. .88 ATOM 1186 O VAL 127 12. .647 -24. .446 12. .772 1. ,00 22. .13 ATOM 1187 N ARG 128 11. .060 -23. .912 11. .258 1. ,00 24. .55 ATOM 1188 H ARG 128 10. .583 -23. .176 10. .812 1. 00 0. ,00 ATOM 1189 CA ARG 128 10. .661 -25. .264 10. .923 1. 00 22. ,77 ATOM 1190 CB ARG 128 9. .644 -25. .176 9. .804 1. 00 23. .22 ATOM 1191 CG ARG 128 9. .141 -26. ,500 9. .265 1. 00 26. ,51 ATOM 1192 CD ARG 128 8. ,025 -26. ,280 8. ,265 1. 00 26. ,64 ATOM 1193 NE ARG 128 8. ,493 -25. ,548 7. ,104 1. 00 31. ,22 ATOM 1194 HE ARG 128 9. ,341 -25. 807 6. ,688 1. 00 0. 00 ATOM 1195 CZ ARG 128 7. 797 -24. 530 6. ,581 1. 00 35. 88 ATOM 1196 NHI ARG 128 6. 632 -24. 107 7. 082 1. 00 34. 74 ATOM 1197 HH11 ARG 128 6. ,238 -24. 538 7. 894 1. 00 0. 00 ATOM 1198 HHl2 ARG 128 6. 166 -23. 334 6. 649 1. 00 0. 00 ATOM 1199 NH2 ARG 128 8. 284 -23. 930 5. 502 1. 00 40. 92 ATOM 1200 HH21 ARG 128 9. 152 -24. 244 5. 115 1. 00 0. 00 ATOM 1201 HH22 ARG 128 7. 797 -23. 165 5. 082 1. 00 0. 00 ATOM 1202 C ARG 128 11. 859 -26. 103 10. 505 1. 00 25. 38 259 - ATOM 1203 O ARG 128 11.996 -27.258 10.905 1.00 31.19 ATOM 1204 N GLN 129 12 .763 -25 .555 9 .706 1 .00 27 .63 ATOM 1205 H GLN 129 12 .611 -24 .646 9 .375 1 .00 0 .00 ATOM 1206 CA GLN 129 13 .945 -26 .270 9 .289 1 .00 30 .34 ATOM 1207 CB GLN 129 14, .576 -25. .497 8 .155 1 .00 29 .95 ATOM 1208 CG GLN 129 13, .868 -25 .769 6 .847 1 .00 32 .24 ATOM 1209 CD GLN 129 14. .365 -27 .031 6. .177 1, .00 38 .31 ATOM 1210 OEI GLN 129 14, .088 -28 .153 6, .591 1, .00 43, .39 ATOM 1211 NE2 GLN 129 15, .146 -26, .896 5. .116 1 .00 41, .97 ATOM 1212 HE21 GLN 129 15. .362 -25, .995 4. .785 1. .00 0, .00 ATOM 1213 HE22 GLN 129 15. .498 -27. .716 4. .717 1. .00 0. .00 ATOM 1214 C GLN 129 14. .931 -26. .488 10. .436 1. .00 35. .26 ATOM 1215 O GLN 129 15. .086 -27. .639 10. .857 1. .00 35. .05 ATOM 1216 N THR 130 15. .534 -25. .453 11. .045 1. .00 39. .04 ATOM 1217 H THR 130 15. .356 -24. .543 10. .735 1. .00 0. .00 ATOM 1218 CA THR 130 16. .514 -25. .655 12. .114 1. .00 38. ,84 ATOM 1219 CB THR 130 17. .282 -24. .342 12. .434 1. .00 41. .46 ATOM 1220 OG1 THR 130 16. .840 -23. .271 11. .602 1. .00 35. .92 ATOM 1221 HG1 THR 130 15. .925 -23. .048 11. .823 1. .00 0. .00 ATOM 1222 CG2 THR 130 18. .766 -24. .585 12. .221 1. .00 39. .34 ATOM 1223 C THR 130 15. .985 -26. .204 13. .436 1. .00 37. .73 ATOM 1224 O THR 130 16. .698 -26. .948 14. .113 1. .00 40. .99 ATOM 1225 N TRP 131 14. .773 -25. .865 13. .868 1. .00 34. .87 ATOM 1226 H TRP 131 14. .215 -25. .292 13. .309 1. .00 0. .00 ATOM 1227 CA TRP 131 14. .227 -26. .388 15. .111 1. .00 35. .73 ATOM 1228 CB TRP 131 13. .480 -25. .284 15. .867 1. .00 36. .36 ATOM 1229 CG TRP 131 14. .343 -24. .072 16. .164 1. .00 38, .36 ATOM 1230 CD2 TRP 131 15. .380 -24. .020 17. .052 1. .00 39. .04 ATOM 1231 CE2 TRP 131 15. .821 -22. .709 16. .869 1. .00 40. .13 ATOM 1232 CE3 TRP 131 16. .020 -24. .847 17. .975 1. .00 44. .19 ATOM 1233 CDl TRP 131 14. .152 -22. .898 15. .494 1. .00 38. .77 ATOM 1234 NEI TRP 131 15. .071 -22, .093 15. .951 1, .00 37. .02 ATOM 1235 HEI TRP 131 15. .199 -21, .145 15, .686 1, .00 0 .00 ATOM 1236 CZ2 TRP 131 16. .901 -22. .200 17, .596 1, .00 44 .06 ATOM 1237 CZ3 TRP 131 17. .105 -24. .344 18, .706 1, .00 43 .68 ATOM 1238 CH2 TRP 131 17. .542 -23 .029 18, .517 1, .00 41 .50 ATOM 1239 C TRP 131 13. .273 -27 .560 14 .873 1 .00 38 .05 ATOM 1240 O TRP 131 12, .439 -27. .871 15. .725 1, .00 36 .61 ATOM 1241 N LYS 132 13, .346 -28 .194 13, .694 1, .00 43 .57 260 - ATOM 1242 H LYS 132 13.985 -27.860 13.032 1.00 0.00 ATOM 1243 CA LYS 132 12 .551 -29 .349 13 .270 1 .00 47 .47 ATOM 1244 CB LYS 132 13 .283 -30 .640 13 .676 1 .00 48 .07 ATOM 1245 CG LYS 132 14 .216 -31 .184 12 .593 1 .00 49 .73 ATOM 1246 CD LYS 132 15 .521 -30 .405 12 .488 1 .00 53 .88 ATOM 1247 CE LYS 132 16 .307 -30 .757 11 .227 1 .00 55 .30 ATOM 1248 NZ LYS 132 17 .576 -30 .049 11 .211 1 .00 57 .90 ATOM 1249 HZ1 LYS 132 18 .153 -30 .357 12 .021 1 .00 0 .00 ATOM 1250 HZ2 LYS 132 17 .398 -29 .026 11 .289 1 .00 0 .00 ATOM 1251 HZ3 LYS 132 18 .082 -30 .248 10 .325 1 .00 0 .00 ATOM 1252 C LYS 132 11 .082 -29 .544 13 .629 1 .00 49 .55 ATOM 1253 O LYS 132 10 .526 -30 .587 13 .267 1 .00 53 .16 ATOM 1254 N LEU 133 10 .364 -28 .657 14 .311 1, .00 53 .10 ATOM 1255 H LEU 133 10 .767 -27 .821 14 .621 1 .00 0 .00 ATOM 1256 CA LEU 133 8 .971 -28 .915 14 .607 1, .00 57 .74 ATOM 1257 CB LEU 133 8, .743 -28 .920 16 .126 1, .00 62, .97 ATOM 1258 CG LEU 133 8, .758 -30, .282 16 .864 1. .00 66, .61 ATOM 1259 CDl LEU 133 7, .846 -31. .256 16, .107 1. .00 66. .25 ATOM 1260 CD2 LEU 133 10. .173 -30. .854 16, .951 1. .00 67. .72 ATOM 1261 C LEU 133 8. .011 -27. .941 13, .957 1. .00 56. .96 ATOM 1262 O LEU 133 8. .185 -26. .726 13. .984 1. .00 60. .52 ATOM 1263 N GLU 134 6. .998 -28. .531 13. .340 1. .00 54. .79 ATOM 1264 H GLU 134 6. .959 -29. .504 13. .399 1. .00 0. .00 ATOM 1265 CA GLU 134 5. .955 -27. .814 12. .637 1. .00 52. .86 ATOM 1266 CB GLU 134 5. .538 -28. ,675 11. .420 1. .00 55. .90 ATOM 1267 CG GLU 134 4. ,795 -30. ,029 11. .620 1. 00 60. ,27 ATOM 1268 CD GLU 134 5. ,592 -31. ,292 11. .981 1. 00 62. .82 ATOM 1269 OEI GLU 134 5. ,830 -31. ,530 13. .167 1. 00 66. .15 ATOM 1270 OE2 GLU 134 5. 947 -32. ,059 11. .081 1. 00 59. ,19 ATOM 1271 C GLU 134 4. 756 -27. 492 13. ,544 1. 00 50. ,75 ATOM 1272 O GLU 134 4. 844 -27. 559 14. ,775 1. 00 51. 08 ATOM 1273 N GLY 135 3. 620 -27. 059 12. 992 1. 00 48. 62 ATOM 1274 H GLY 135 3. 650 -26. 799 12. 050 1. 00 0. 00 ATOM 1275 CA GLY 135 2. 363 -26. 848 13. 724 1. 00 46. 72 ATOM 1276 C GLY 135 2. 302 -25. 664 14. 678 1. 00 44. 51 ATOM 1277 0 GLY 135 3. 004 -24. 664 14. 536 1. 00 46. 83 ATOM 1278 N GLU 136 1. 450 -25. 759 15. 693 1. 00 46. 52 ATOM 1279 H GLU 136 0. 871 -26. 545 15. 747 1. 00 0. 00 ATOM 1280 CA GLU 136 1. 327 -24. 710 16. 710 1. 00 49. 02 261 ATOM 1281 CB GLU 136 0.262 -25.059 17.763 1.00 51.89 ATOM 1282 CG GLU 136 -0.931 -24.090 17.857 1.00 52.06 ATOM 1283 CD GLU 136 -0.588 -22.646 18.218 1.00 54.10 ATOM 1284 OEI GLU 136 -0.616 -21.791 17.329 1.00 57.12 ATOM 1285 OE2 GLU 136 -0.300 -22.376 19.384 1.00 51.65 ATOM 1286 C GLU 136 2.645 -24.489 17.440 1.00 46.65 ATOM 1287 O GLU 136 2.944 -23.398 17.936 1.00 46.30 ATOM 1288 N ALA 137 3.437 -25.556 17.502 1.00 45.19 ATOM 1289 H ALA 137 3.139 -26.407 17.128 1.00 0.00 ATOM 1290 CA ALA 137 4.765 -25.477 18.061 1.00 44.22 ATOM 1291 CB ALA 137 5.442 -26.837 18.034 1.00 45.58 ATOM 1292 C ALA 137 5.559 -24.509 17.196 1.00 42.82 ATOM 1293 O ALA 137 6.139 -23.610 17.799 1.00 47.38 ATOM 1294 N LEU 138 5.513 -24.597 15.847 1.00 36.97 ATOM 1295 H LEU 138 5.012 -25.341 15.455 1.00 0.00 ATOM 1296 CA LEU 138 6.214 -23.700 14.925 1.00 31.88 ATOM 1297 CB LEU 138 5.865 -23.934 13.461 1.00 27.69 ATOM 1298 CG LEU 138 6.930 -24.048 12.355 1.00 28.20 ATOM 1299 CDl LEU 138 6.191 -24.029 11.030 1.00 18.29 ATOM 1300 CD2 LEU 138 7.918 -22.914 12.347 1.00 21.98 ATOM 1301 C LEU 138 5.821 -22.269 15.197 1.00 29.00 ATOM 1302 O LEU 138 6.672 -21.402 15.377 1.00 27.80 ATOM 1303 N GLU 139 4.526 -22.008 15.247 1.00 29.67 ATOM 1304 H GLU 139 3.896 -22.746 15.108 1.00 0.00 ATOM 1305 CA GLU 139 4.052 -20.660 15.464 1.00 34.50 ATOM 1306 CB GLU 139 2.538 -20.665 15.451 1.00 38.42 ATOM 1307 CG GLU 139 1.945 -20.289 14.082 1.00 44.60 ATOM 1308 CD GLU 139 2.501 -21.012 12.851 1.00 46.22 ATOM 1309 OEI GLU 139 3.301 -20.401 12.149 1.00 43.80 ATOM 1310 OE2 GLU 139 2.135 -22.162 12.583 1.00 48.63 ATOM 1311 C GLU 139 4.587 -20.109 16.760 1.00 36.52 ATOM 1312 O GLU 139 5.196 -19.037 16.774 1.00 39.38 ATOM 1313 N GLN 140 4.479 -20.876 17.839 1.00 38.33 ATOM 1314 H GLN 140 4.053 -21.755 17.765 1.00 0.00 ATOM 1315 CA GLN 140 5.037 -20.439 19.100 1.00 37.72 ATOM 1316 CB GLN 140 4.724 -21.476 20.168 1.00 45.54 ATOM 1317 CG GLN 140 3.307 -21.321 20.713 1.00 56.23 ATOM 1318 CD GLN 140 2.957 -22.366 21.770 1.00 65.59 ATOM 1319 OEI GLN 140 3.103 -22.167 22.978 1.00 66.51 262 - ATOM 1320 NE2 GLN 140 2.480 -23.531 21.354 1.00 67.31 ATOM 1321 HE21 GLN 140 2 .379 -23 .670 20 .391 1 .00 0 .00 ATOM 1322 HE22 GLN 140 2 .259 -24 .177 22 .050 1 .00 0 .00 ATOM 1323 C GLN 140 6 .543 -20 .224 18 .975 1 .00 33 .59 ATOM 1324 0 GLN 140 7 .032 -19 .142 19 .323 1 .00 31 .72 ATOM 1325 N ALA 141 7 .291 -21 .155 18 .388 1 .00 25 .14 ATOM 1326 H ALA 141 6 .848 -21 .926 17 .991 1 .00 0 .00 ATOM 1327 CA ALA 141 8 .725 -21 .022 18 .220 1. .00 25 .84 ATOM 1328 CB ALA 141 9 .300 -22 .343 17 .683 1 .00 28 .13 ATOM 1329 C ALA 141 9 .137 -19 .872 17 .290 1. .00 28, .14 ATOM 1330 O ALA 141 10 .287 -19 .437 17 .344 1, .00 30, .78 ATOM 1331 N ILE 142 8, .266 -19 .316 16. .429 1. .00 30. .84 ATOM 1332 H ILE 142 7. .402 -19 .763 16 .297 1. .00 0, .00 ATOM 1333 CA ILE 142 8. .571 -18 .125 15, .627 1. .00 25. .85 ATOM 1334 CB ILE 142 7 .449 -17 .965 14. .547 1. .00 18. .89 ATOM 1335 CG2 ILE 142 7, .432 -16, .583 13. .908 1. .00 21. .04 ATOM 1336 CGI ILE 142 7. .732 -18, .967 13. .428 1. .00 20. .14 ATOM 1337 CD ILE 142 6. .556 -19. .269 12. .492 1. 00 15. .71 ATOM 1338 C ILE 142 8. .660 -16. .923 16. .573 1. ,00 29. .99 ATOM 1339 O ILE 142 9. .565 -16. .097 16. ,493 1. ,00 31. ,41 ATOM 1340 N ILE 143 7. .736 -16. .877 17. ,532 1. ,00 35. .52 ATOM 1341 H ILE 143 7. .119 -17. ,638 17. .588 1. ,00 0. .00 ATOM 1342 CA ILE 143 7. .613 -15. ,810 18. .518 1. ,00 37. .48 ATOM 1343 CB ILE 143 6. .199 -15. .808 19. .126 1. ,00 37. .49 ATOM 1344 CG2 ILE 143 5. .947 -14. ,427 19. .699 1. 00 39. .63 ATOM 1345 CGI ILE 143 5. .114 -16. .077 18. .092 1. ,00 40. .16 ATOM 1346 CD ILE 143 3. .812 -16. .651 18. .686 1. 00 41. .67 ATOM 1347 C ILE 143 8. .625 -16. .006 19. .641 1. ,00 41. .27 ATOM 1348 O ILE 143 9. .047 -15. .041 20. .273 1. 00 41. .07 ATOM 1349 N SER 144 8. .976 -17. .255 19. ,949 1. 00 47. .79 ATOM 1350 H SER 144 8. ,616 -17. .986 19. ,410 1. 00 0. .00 ATOM 1351 CA SER 144 9. ,893 -17. .576 21. ,033 1. 00 52. .28 ATOM 1352 CB SER 144 9. ,534 -18. .976 21. ,532 1. 00 52. .29 ATOM 1353 OG SER 144 8. ,145 -19. .030 21. ,895 1. 00 53. .23 ATOM 1354 HG SER 144 7. ,612 -18. ,881 21. 109 1. 00 0. ,00 ATOM 1355 C SER 144 11. ,370 -17. .481 20. 651 1. 00 55. .20 ATOM 1356 O SER 144 12. ,205 -17. ,066 21. 467 1. 00 58. .47 ATOM 1357 N GLN 145 11. ,769 -17. ,860 19. 438 1. 00 58. .14 ATOM 1358 H GLN 145 11. 133 -18. ,245 18. 798 1. 00 0. .00 263 - ATOM 1359 CA GLN 145 13.142 -17.681 18.996 1.00 59.26 ATOM 1360 CB GLN 145 13 .637 -18 .900 18 .186 1 .00 58 .99 ATOM 1361 CG GLN 145 14 .116 -20 .105 19 .015 1 .00 51. .70 ATOM 1362 CD GLN 145 13 .040 -20 .987 19 .634 1 .00 46. .51 ATOM 1363 OEI GLN 145 12 .040 -20 .526 20 .174 1 .00 46 .63 ATOM 1364 NE2 GLN 145 13 .205 -22 .301 19 .603 1. .00 42, .17 ATOM 1365 HE21 GLN 145 14, .014 -22 .649 19 .174 1. .00 0, .00 ATOM 1366 HE22 GLN 145 12 .505 -22 .846 20 .014 1, .00 0. .00 ATOM 1367 C GLN 145 13 .086 -16, .436 18 .121 1. .00 59. .37 ATOM 1368 O GLN 145 12, .441 -16, .418 17 .066 1, .00 59. .11 ATOM 1369 N ALA 146 13. .761 -15. .381 18, .584 1. .00 57. .86 ATOM 1370 H ALA 146 14, .348 -15, .502 19, .358 1. .00 0. .00 ATOM 1371 CA ALA 146 13, .716 -14. .068 17, .955 1. .00 54. .83 ATOM 1372 CB ALA 146 12. .490 -13. .332 18. .513 1. .00 51. .86 ATOM 1373 C ALA 146 15. .014 -13. .314 18. .266 1. .00 50. .12 ATOM 1374 O ALA 146 16. .019 -13. .982 18. .529 1. .00 50. .90 ATOM 1375 N PRO 147 15. .147 -11. .984 18. .217 1. .00 45. .39 ATOM 1376 CD PRO 147 15. .344 -11. .200 19. .436 1. .00 46. .16 ATOM 1377 CA PRO 147 14. .760 -11. .112 17. .111 1. .00 40. .33 ATOM 1378 CB PRO 147 14. .220 -9. .884 17. .808 1. .00 42. .32 ATOM 1379 CG PRO 147 15. .140 -9. .750 18. .996 1. .00 43. .96 ATOM 1380 C PRO 147 15. .855 -10. .796 16. .102 1. .00 37. .26 ATOM 1381 O PRO 147 15. .560 -10. .360 14. .988 1. .00 38. .02 ATOM 1382 N GLN 148 17. .131 -11. .025 16. .427 1. .00 34. .30 ATOM 1383 H GLN 148 17. .343 -11. .320 17, .344 1. .00 0, .00 ATOM 1384 CA GLN 148 18. .237 -10. .822 15. .500 1. .00 29, .73 ATOM 1385 CB GLN 148 19. .609 -11. .094 16. .111 1. .00 33, .42 ATOM 1386 CG GLN 148 20. .143 -10. .081 17. .095 1. .00 38, .19 ATOM 1387 CD GLN 148 19. .410 -10. .075 18. .428 1. .00 44 .05 ATOM 1388 OEI GLN 148 18. .677 -10. .999 18. .795 1. .00 44, .63 ATOM 1389 NE2 GLN 148 19. .566 -9. .020 19. .207 1. .00 47 .86 ATOM 1390 HE21 GLN 148 20. .127 -8. .273 18, .912 1, .00 0 .00 ATOM 1391 HE22 GLN 148 19. .121 -9. .038 20, .078 1, .00 0 .00 ATOM 1392 C GLN 148 18. .122 -11. .771 14. .327 1, .00 25 .44 ATOM 1393 O GLN 148 18. .647 -11. .478 13, .258 1, .00 25 .23 ATOM 1394 N VAL 149 17. .436 -12. .905 14, .497 1 .00 23 .42 ATOM 1395 H VAL 149 17. .174 -13, .141 15, .408 1 .00 0 .00 ATOM 1396 CA VAL 149 17. .228 -13, .855 13. .417 1 .00 22 .10 ATOM 1397 CB VAL 149 16, .571 -15, .172 13 .960 1 .00 21 .97 - 264 ATOM 1398 CGI VAL 149 17.492 -15.765 15.008 1.00 21.05 ATOM 1399 CG2 VAL 149 15 .220 -14 .937 14 .591 1 .00 22 .67 ATOM 1400 C VAL 149 16 .368 -13 .249 12 .309 1 .00 20 .80 ATOM 1401 O VAL 149 16 .646 -13 .427 11 .129 1 .00 21 .04 ATOM 1402 N GLU 150 15 .360 -12 .455 12 .650 1 .00 22 .05 ATOM 1403 H GLU 150 15 .224 -12 .254 13 .595 1 .00 0 .00 ATOM 1404 CA GLU 150 14 .490 -11 .803 11 .691 1 .00 23 .41 ATOM 1405 CB GLU 150 13 .373 -11 .162 12 .511 1 .00 27 .75 ATOM 1406 CG GLU 150 12 .420 -10 .140 11 .875 1 .00 40 .15 ATOM 1407 CD GLU 150 11 .567 -10 .618 10 .706 1 .00 40 .12 ATOM 1408 OEI GLU 150 12 .136 -11, .023 9 .695 1 .00 42, .37 ATOM 1409 OE2 GLU 150 10 .338 -10 .554 10 .791 1 .00 43. .49 ATOM 1410 C GLU 150 15, .292 -10, .801 10 .858 1. .00 24. .41 ATOM 1411 O GLU 150 15 .156 -10, .712 9 .633 1, .00 25. .40 ATOM 1412 N LYS 151 16, .208 -10, .100 11, .535 1. .00 22. .99 ATOM 1413 H LYS 151 16, .231 -10. .204 12, .506 1. .00 0, .00 ATOM 1414 CA LYS 151 17, .115 -9. .138 10, .931 1. .00 19. .15 ATOM 1415 CB LYS 151 17. .760 -8. .384 12. .094 1. .00 17. .32 ATOM 1416 CG LYS 151 18. .552 -7. .125 11. .791 1. .00 20. .52 ATOM 1417 CD LYS 151 18. .701 -6. .401 13. .121 1. .00 26. ,52 ATOM 1418 CE LYS 151 19. .509 -5. .113 13. .089 1. .00 31. .53 ATOM 1419 NZ LYS 151 20. .920 -5. .393 12. .889 1. ,00 44. .71 ATOM 1420 HZ1 LYS 151 21. .255 -6. .004 13. .662 1. .00 0. .00 ATOM 1421 HZ2 LYS 151 21. .473 -4. .513 12. .884 1. .00 0. .00 ATOM 1422 HZ3 LYS 151 21. .048 -5. ,890 11. .985 1. ,00 0. .00 ATOM 1423 C LYS 151 18. .127 -9. .852 10. .036 1. ,00 16. .31 ATOM 1424 O LYS 151 18. ,480 -9. ,389 8. ,955 1. ,00 12. .19 ATOM 1425 N LEU 152 18. ,601 -11. ,015 10. .444 1. ,00 16. .09 ATOM 1426 H LEU 152 18. ,331 -11. ,332 11. .331 1. 00 0. .00 ATOM 1427 CA LEU 152 19. .524 -11. ,849 9. ,703 1. 00 12. .00 ATOM 1428 CB LEU 152 19. ,855 -13. .040 10. .500 1. ,00 15. .88 ATOM 1429 CG LEU 152 21. ,222 -13. 560 10. ,639 1. 00 16. .05 ATOM 1430 CDl LEU 152 21. ,077 -14. .775 11. ,546 1. ,00 16. .90 ATOM 1431 CD2 LEU 152 21. 866 -13. 869 9. ,301 1. 00 11. .67 ATOM 1432 C LEU 152 18. 870 -12. 335 8. ,438 1. 00 13. .18 ATOM 1433 O LEU 152 19. ,497 -12. ,346 7. ,383 1. ,00 18. .93 ATOM 1434 N ILE 153 17. 631 -12. 796 8. ,537 1. 00 12. .61 ATOM 1435 H ILE 153 17. 208 -12. ,810 9. ,421 1. 00 0. .00 ATOM 1436 CA ILE 153 16. 871 -13. 277 7. 392 1. 00 18. .32 - 265 - ATOM 1437 CB ILE 153 15.603 -13.925 8.013 1.00 19.63 ATOM 1438 CG2 ILE 153 14 .479 -14 .062 7 .006 1 .00 15 .55 ATOM 1439 CGI ILE 153 16 .011 -15 .280 8 .620 1 .00 20. .47 ATOM 1440 CD ILE 153 16 .260 -16 .471 7 .679 1 .00 22, .78 ATOM 1441 C ILE 153 16 .613 -12 .117 6 .406 1 .00 16 .99 ATOM 1442 O ILE 153 16 .784 -12 .260 5 .192 1 .00 14, .84 ATOM 1443 N ALA 154 16 .283 -10 .929 6 .906 1, .00 14. .59 ATOM 1444 H ALA 154 16 .079 -10 .868 7 .864 1 .00 0. .00 ATOM 1445 CA ALA 154 16 .129 -9 .740 6 .087 1 .00 14. .27 ATOM 1446 CB ALA 154 15. .654 -8, .595 6 .981 1, .00 11. .41 ATOM 1447 C ALA 154 17, .402 -9, .316 5, .362 1, .00 13. .07 ATOM 1448 O ALA 154 17, .394 -9. .006 4 .159 1, .00 13. .71 ATOM 1449 N THR 155 18. .526 -9, .306 6, .099 1. .00 12. .27 ATOM 1450 H THR 155 18. .467 -9. .606 7, .029 1. .00 0. ,00 ATOM 1451 CA THR 155 19. .830 -8. .914 5, .559 1. .00 10. .44 ATOM 1452 CB THR 155 20. .887 -8. .906 6, .713 1. .00 9. .80 ATOM 1453 OG1 THR 155 20. .456 -7. .925 7. .663 1. .00 18. .84 ATOM 1454 HG1 THR 155 19. .665 -8. .275 8. .091 1. ,00 0. .00 ATOM 1455 CG2 THR 155 22. .278 -8. .550 6. .270 1. .00 9. .45 ATOM 1456 C THR 155 20. .236 -9. .883 4. .440 1. .00 14. ,92 ATOM 1457 O THR 155 20. .778 -9. .460 3. .403 1. ,00 15. .13 ATOM 1458 N THR 156 19. .900 -11. .172 4. .578 1. .00 17. .24 ATOM 1459 H THR 156 19. .422 -11. .506 5. .372 1. .00 0. .00 ATOM 1460 CA THR 156 20. .317 -12. .165 3. .609 1. .00 17. .42 ATOM 1461 CB THR 156 20. .778 -13. .424 4. .387 1. .00 21. .01 ATOM 1462 OG1 THR 156 19. .701 -13. .847 5. .216 1. .00 28. .15 ATOM 1463 HG1 THR 156 20. .090 -14. .396 5. .915 1. .00 0. .00 ATOM 1464 CG2 THR 156 22. .010 -13. .145 5. .222 1. .00 17. .36 ATOM 1465 C THR 156 19. .286 -12. .525 2. .548 1. .00 16. .54 ATOM 1466 O THR 156 19. .675 -13. .151 1. .556 1. .00 16. .61 ATOM 1467 N ALA 157 18. .021 -12. .082 2. .648 1. .00 11. .96 ATOM 1468 H ALA 157 17. .765 -11. .593 3. .460 1. .00 0, .00 ATOM 1469 CA ALA 157 16. .978 -12. .353 1, .665 1. .00 8 .10 ATOM 1470 CB ALA 157 15. .792 -11. .463 1. .875 1. .00 5, .22 ATOM 1471 C ALA 157 17. .334 -12. .205 0. .203 1. .00 11, .31 ATOM 1472 O ALA 157 16. .768 -12. .899 -0, .628 1, .00 12 .82 ATOM 1473 N HIS 158 18. .272 -11. .321 -0, .131 1, .00 11 .13 ATOM 1474 H HIS 158 18. .588 -10. .744 0. .590 1, .00 0 .00 ATOM 1475 CA HIS 158 18. .748 -11, .150 -1 .490 1, .00 13 .55 266 ATOM 1476 CB HIS 158 19.697 -9.955 -1.599 1.00 12.74 ATOM 1477 CG HIS 158 20.963 -9 .981 -0 .760 1 .00 6 .21 ATOM 1478 CD2 HIS 158 22.226 -10 .209 -1 .250 1 .00 5 .93 ATOM 1479 NDI HIS 158 21.062 -9 .767 0 .543 1 .00 9 .66 ATOM 1480 HD1 HIS 158 20.371 -9 .464 1 .176 1 .00 0 .00 ATOM 1481 CEI HIS 158 22.335 -9 .850 0 .857 X .00 7 .67 ATOM 1482 NE2 HIS 158 23.027 -10 .113 -0 .218 1 .00 9, .31 ATOM 1483 HE2 HIS 158 24.008 -10 .028 -0 .233 1 .00 0, .00 ATOM 1484 C HIS 158 19.481 -12 .359 -2 .052 1 .00 16, .19 ATOM 1485 O HIS 158 19.448 -12 .632 -3 .236 1 .00 20, .47 ATOM 1486 N GLU 159 20.175 -13. .107 -1, .216 1. .00 17. .23 ATOM 1487 H GLU 159 20.072 -12 .955 -0, .257 1. .00 0. .00 ATOM 1488 CA GLU 159 20.940 -14, .254 -1, .657 1. .00 20. .55 ATOM 1489 CB GLU 159 21.657 -14, .764 -0, .429 .00 20. .24 ATOM 1490 CG GLU 159 22.842 -13, .822 -0, .229 1, .00 27. .41 ATOM 1491 CD GLU 159 23.580 -13, .832 1. .103 1, .00 35. .05 ATOM 1492 OEI GLU 159 24.583 -13. .120 1. .190 1. .00 41. .39 ATOM 1493 OE2 GLU 159 23.163 -14, .513 2. .045 1. .00 37. .57 ATOM 1494 C GLU 159 20.124 -15. .341 -2. .356 1. .00 20. .03 ATOM 1495 O GLU 159 20.575 -15. .957 -3. .322 _ .00 23. .76 ATOM 1496 N ARG 160 18.879 -15. .517 -1. .936 X . .00 16. ,92 ATOM 1497 H ARG 160 18.494 -14. .915 -1. .266 1. .00 0. .00 ATOM 1498 CA ARG 160 18.031 -16. .500 -2. .555 1. .00 16. .29 ATOM 1499 CB ARG 160 17.147 -17. .180 -1. .499 1. .00 18. .52 ATOM 1500 CG ARG 160 16.251 -16. .276 -0. .682 X, .00 24. .37 ATOM 1501 CD ARG 160 16.483 -16. .570 0. .783 1. .00 31. .61 ATOM 1502 NE ARG 160 15.708 -17. .723 1. .197 1. .00 33. .80 ATOM 1503 HE ARG 160 15.197 -18. .221 0. .523 1. .00 0. .00 ATOM 1504 CZ ARG 160 15.689 -18. .141 2. .467 1. .00 35. .13 ATOM 1505 NHI ARG 160 16.392 -17. .532 3. .449 1. .00 23. .68 ATOM 1506 HH11 ARG 160 16.962 -16. .736 3. .244 1. .00 0. .00 ATOM 1507 HH12 ARG 160 16.341 -17. .882 4. .384 1. .00 0. .00 ATOM 1508 NH2 ARG 160 14.895 -19. .179 2. .743 1. .00 34. .48 ATOM 1509 HH21 ARG 160 14.346 -19. .596 2. .018 1. .00 0. .00 ATOM 1510 HH22 ARG 160 14.848 -19. ,541 3. .672 1. .00 0. .00 ATOM 1511 C ARG 160 17.175 -15. .879 -3. .625 1. .00 13, .93 ATOM 1512 O ARG 160 16.168 -16. .457 -4. .043 1. .00 18, .72 ATOM 1513 N MET 161 17.530 -14. .702 -4. .103 1. .00 13. .50 ATOM 1514 H MET 161 18.413 -14. .316 -3. .923 1. .00 0, .00 267 ATOM 1515 CA MET 161 16.690 -14.069 -5.093 X.00 14.46 ATOM 1516 CB MET 161 16 .666 -12 .575 -4 .874 1. .00 13 .73 ATOM 1517 CG MET 161 15 .916 -12 .130 -3 .637 1 .00 7 .08 ATOM 1518 SD MET 161 14 .135 -12 .358 -3 .669 1 .00 12 .33 ATOM 1519 CE MET 161 14 .041 -13 .525 -2 .328 1 .00 2 .25 ATOM 1520 C MET 161 17 .226 -14. .378 -6 .475 1 .00 14 .92 ATOM 1521 O MET 161 18 .442 -14. .348 -6 .651 1, .00 15. .63 ATOM 1522 N PRO 162 16 .412 -14. .649 -7 .509 1, .00 16, .02 ATOM 1523 CD PRO 162 14, .961 -14, .709 -7 .458 1. .00 14. .38 ATOM 1524 CA PRO 162 16, .873 -15, .010 -8 .847 1. .00 17, .79 ATOM 1525 CB PRO 162 15. .602 -15. .227 -9. .619 1. .00 17. .80 ATOM 1526 CG PRO 162 14. .600 -14. .377 -8. .889 1. .00 17. .12 ATOM 1527 C PRO 162 17. .806 -14. .015 -9, .519 1. ,00 19. .05 ATOM 1528 O PRO 162 18. .647 -14. .391 -10, .328 1. ,00 21. .41 ATOM 1529 N TRP 163 17. .661 -12, .733 -9, .167 X _ .00 19. .49 ATOM 1530 H TRP 163 17. .016 -12. .516 -8. .470 1. ,00 0. .00 ATOM 1531 CA TRP 163 18. .473 -11. .669 -9. .712 1. ,00 14. .79 ATOM 1532 CB TRP 163 17. .754 -10. .334 -9. .563 1. ,00 16. .38 ATOM 1533 CG TRP 163 17. .026 -10. .040 -8. .251 1. .00 15. .65 ATOM 1534 CD2 TRP 163 17. .590 -9. .606 -7. .061 1. ,00 18. .28 ATOM 1535 CE2 TRP 163 16. .439 -9. .447 -6. .263 1. ,00 16. .96 ATOM 1536 CE3 TRP 163 18. .862 -9. .320 -6. .520 1. ,00 14. .05 ATOM 1537 CDl TRP 163 15. .661 -10. .145 -8. .186 1. ,00 11. .47 ATOM 1538 NEI TRP 163 15. .341 -9. .775 -6. .971 1. .00 13. .57 ATOM 1539 HEI TRP 163 14. .423 -9. .631 -6, .647 ,00 0, .00 ATOM 1540 CZ2 TRP 163 16. .543 -8. .999 -4, .933 1. ,00 14, .05 ATOM 1541 CZ3 TRP 163 18. .963 -8. .873 -5. .184 1. ,00 13, .85 ATOM 1542 CH2 TRP 163 17. .808 -8, .715 -4, .398 1. .00 8 .31 ATOM 1543 C TRP 163 19. .827 -11. .574 -9. .065 1. .00 14, .37 ATOM 1544 O TRP 163 20. .704 -10. .868 -9, .562 1. .00 18, .36 ATOM 1545 N TYR 164 20. .068 -12. .259 -7. .958 1. .00 12, .49 ATOM 1546 H TYR 164 19. .506 -13. .007 -7, .676 1. .00 0 .00 ATOM 1547 CA TYR 164 21. .355 -12. .130 -7, .333 1. .00 13 .07 ATOM 1548 CB TYR 164 21. .230 -12, .357 -5, .831 1, .00 12 .72 ATOM 1549 CG TYR 164 22. .544 -12, .125 -5, .109 1. .00 10 .10 ATOM 1550 CDl TYR 164 23. .138 -10, .875 -5 .204 1, .00 13 .14 ATOM 1551 CEI TYR 164 24, .358 -10, .634 -4 .587 1, .00 14 .29 ATOM 1552 CD2 TYR 164 23, .168 -13. .149 -4 .388 1, .00 13 .03 ATOM 1553 CE2 TYR 164 24 .392 -12 .907 -3 .762 1 .00 11 .06 268 WO97/08300 PPCCTT//US96/13918 ATOM 1554 CZ TYR 164 24.966 -11 .647 -3 .873 1 .00 10.57 ATOM 1555 OH TYR 164 26.144 -11 .333 -3 .245 1 .00 21.87 ATOM 1556 HH TYR 164 26.452 -12 .073 -2 .702 1 .00 0.00 ATOM 1557 C TYR 164 22.208 -13 .205 -7 .980 1 .00 18.71 ATOM 1558 O TYR 164 21.751 -14 .324 -8 .226 1 .00 17.75 ATOM 1559 N HIS 165 23.435 -12 .870 -8 .377 1 .00 22.75 ATOM 1560 H HIS 165 23.729 -11 .938 -8 .262 1 .00 0.00 ATOM 1561 CA HIS 165 24.344 -13 .855 -8 .923 1 .00 24.59 ATOM 1562 CB HIS 165 24.598 -13 .627 -10 .422 1 .00 23.90 ATOM 1563 CG HIS 165 23.397 -13 .904 -11 .315 1 .00 26.19 ATOM 1564 CD2 HIS 165 22.254 -13 .135 -11 .335 1 .00 27.29 ATOM 1565 NDI HIS 165 23.221 -14 .894 -12 .184 1 .00 27.47 ATOM 1566 HD1 HIS 165 23.783 -15, .675 -12 .397 1, .00 0.00 ATOM 1567 CEI HIS 165 22.034 -14 .736 -12 .698 1, .00 25.41 ATOM 1568 NE2 HIS 165 21.456 -13 .688 -12 .189 1, .00 21.53 ATOM 1569 HE2 HIS 165 20.486 -13, .539 -12 .228 1. .00 0.00 ATOM 1570 C HIS 165 25.633 -13. .656 -8, .156 1. .00 26.23 ATOM 1571 0 HIS 165 26.362 -12, .687 -8, .378 1. .00 31.62 ATOM 1572 N SER 166 25.946 -14. .547 -7, .232 1. .00 25.87 ATOM 1573 H SER 166 25.362 -15. .319 -7. .058 1. .00 0.00 ATOM 1574 CA SER 166 27.160 -14. .490 -6. .428 1. .00 30.85 ATOM 1575 CB SER 166 27.023 -15. .535 -5. .320 1. .00 33.11 ATOM 1576 OG SER 166 26.099 -16. .587 -5. .652 1. .00 40.48 ATOM 1577 HG SER 166 25.779 -16. .955 -4. .812 1. ,00 0.00 ATOM 1578 C SER 166 28.485 -14. ,691 -7. .166 1. 00 32.77 ATOM 1579 O SER 166 29.556 -14. ,546 -6. .587 1. ,00 34.67 ATOM 1580 N SER 167 28.439 -15. ,017 -8. .444 1. 00 32.96 ATOM 1581 H SER 167 27.581 -15. 108 -8. ,895 1. 00 0.00 ATOM 1582 CA SER 167 29.597 -15. 394 -9. ,219 1. 00 32.24 ATOM 1583 CB SER 167 29.281 -16. 777 -9. ,733 1. 00 35.47 ATOM 1584 OG SER 167 27.912 -16. 819 -10. ,196 1. 00 38.74 ATOM 1585 HG SER 167 27.744 -17. 703 -10. 543 1. 00 0.00 ATOM 1586 C SER 167 30.007 -14. 475 -10. ,363 1. 00 31.65 ATOM 1587 O SER 167 31.116 -14. 603 -10. ,885 1. 00 35.00 ATOM 1588 N LEU 168 29.170 -13. 535 -10. 796 1. 00 29.62 ATOM 1589 H LEU 168 28.501 -13. 148 -10. 198 1. 00 0.00 ATOM 1590 CA LEU 168 29.473 -12. 889 -12. 053 1. 00 29.98 ATOM 1591 CB LEU 168 28.202 -12. 382 -12. 708 1. 00 27.12 ATOM 1592 CG LEU 168 27.207 -13. 436 -13. 139 1. 00 23.43 - 269 - ATOM 1593 CDl LEU 168 26.136 -12.746 -13.947 1.00 23.27 ATOM 1594 CD2 LEU 168 27 .873 -14 .525 -13 .992 1 .00 22 .89 ATOM 1595 C LEU 168 30 .445 -11 .753 -11 .974 1 .00 32 .36 ATOM 1596 O LEU 168 30 .379 -10 .917 -11 .074 1 .00 36 .48 ATOM 1597 N THR 169 31 .400 -11 .777 -12 .898 1 .00 31 .71 ATOM 1598 H THR 169 31 .509 -12 .555 -13 .479 1 .00 0 .00 ATOM 1599 CA THR 169 32 .276 -10 .639 -13 .076 1 .00 30, .85 ATOM 1600 CB THR 169 33 .596 -11 .055 -13 .767 1. .00 32. .01 ATOM 1601 OG1 THR 169 33, .258 -11 .649 -15 .020 1. .00 34. .34 ATOM 1602 HG1 THR 169 34 .045 -12 .124 -15 .328 1 .00 0, .00 ATOM 1603 CG2 THR 169 34, .415 -12 .014 -12 .917 1. .00 33, .00 ATOM 1604 C THR 169 31, .478 -9 .695 -13, .973 1, .00 29. .05 ATOM 1605 O THR 169 30, .372 -10, .044 -14, .417 1, .00 26. .29 ATOM 1606 N ARG 170 32, .041 -8. .525 -14, .294 1. .00 30. .94 ATOM 1607 H ARG 170 32. .861 -8, .261 -13. .824 1. .00 0. .00 ATOM 1608 CA ARG 170 31. .421 -7, .557 -15. .199 1. .00 27. ,92 ATOM 1609 CB ARG 170 32. .320 -6. .316 -15. .323 1. .00 25. ,77 ATOM 1610 CG ARG 170 31. .766 -5. .288 -16. .289 1. .00 22. .36 ATOM 1611 CD ARG 170 32. .742 -4. .160 -16. .541 1. .00 21. .88 ATOM 1612 NE ARG 170 32. .560 -3, .097 -15. .587 1. .00 23. .01 ATOM 1613 HE ARG 170 32. .924 -3. .206 -14. .684 1. .00 0. .00 ATOM 1614 CZ ARG 170 31. .948 -1. .951 -15. .896 1. .00 26. .69 ATOM 1615 NHI ARG 170 31. .809 -1. .036 -14. .946 1. .00 32. .94 ATOM 1616 HH11 ARG 170 32. .161 -1. .213 -14. .027 1. .00 0. ,00 ATOM 1617 HH12 ARG 170 31. .349 -0. .170 -15. .144 1. ,00 0. ,00 ATOM 1618 NH2 ARG 170 31. .505 -1. .660 -17. .112 1. ,00 25. ,12 ATOM 1619 HH21 ARG 170 31. .615 -2. .316 -17. ,858 1. ,00 o. ,00 ATOM 1620 HH22 ARG 170 31. .055 -0. .783 -17. .278 1. ,00 0. .00 ATOM 1621 C ARG 170 31. .201 -8. .165 -16. .577 1. .00 25. .49 ATOM 1622 O ARG 170 30. .132 -8. .046 -17. .178 1. ,00 28. .82 ATOM 1623 N GLU 171 32. .220 -8. .866 -17. .047 1. ,00 25. .45 ATOM 1624 H GLU 171 32. .978 -8. .985 -16. .448 1. ,00 0. .00 ATOM 1625 CA GLU 171 32. .195 -9. .477 -18. .364 1. .00 28. .63 ATOM 1626 CB GLU 171 33. .580 -10. .054 -18. .735 1. .00 34. .71 ATOM 1627 CG GLU 171 34. .771 -10. .040 -17. .736 1. .00 46. .27 ATOM 1628 CD GLU 171 35. .272 -8. .696 -17. .177 1. .00 49. .62 ATOM 1629 OEI GLU 171 35. .099 -7, .641 -17. .803 1. .00 49, .52 ATOM 1630 OE2 GLU 171 35. .845 -8, .717 -16. .084 1. .00 52, .83 ATOM 1631 C GLU 171 31. .154 -10. .579 -18. .416 1. .00 24, .95 270 - ATOM 1632 O GLU 171 30.279 -10.593 -19.294 1.00 23.81 ATOM 1633 N GLU 172 31 .181 -11 .445 -17 .405 1 .00 22 .24 ATOM 1634 H GLU 172 31 .828 -11 .331 -16 .679 1 .00 0 .00 ATOM 1635 CA GLU 172 30 .210 -12 .516 -17 .343 1 .00 24 .18 ATOM 1636 CB GLU 172 30 .508 -13 .429 -16 .192 1 .00 27 .98 ATOM 1637 CG GLU 172 31 .858 -14 .079 -16 .392 1 .00 32 .11 ATOM 1638 CD GLU 172 32 .251 -15 .088 -15 .337 1 .00 37 .30 ATOM 1639 OEI GLU 172 32 .039 -14 .841 -14 .149 1 .00 41 .49 ATOM 1640 OE2 GLU 172 32 .785 -16 .129 -15 .716 1 .00 45 .22 ATOM 1641 C GLU 172 28 .797 -12 .006 -17 .199 1 .00 26 .45 ATOM 1642 O GLU 172 27 .888 -12 .558 -17 .827 1 .00 32 .90 ATOM 1643 N ALA 173 28 .592 -10 .941 -16 .416 1 .00 25 .95 ATOM 1644 H ALA 173 29 .348 -10 .540 -15 .948 1 .00 0 .00 ATOM 1645 CA ALA 173 27 .280 -10 .335 -16. .264 1, .00 23, .01 ATOM 1646 CB ALA 173 27 .311 -9 .190 -15 .242 1, .00 20, .11 ATOM 1647 C ALA 173 26, .819 -9 .766 -17, .598 1. .00 23. .39 ATOM 1648 O ALA 173 25, .661 -9 .963 -17, .977 1. .00 25. .28 ATOM 1649 N GLU 174 27, .695 -9, .077 -18. .346 1. .00 24. .22 ATOM 1650 H GLU 174 28, .605 -8, .964 -18. .004 1. .00 0. .00 ATOM 1651 CA GLU 174 27. .350 -8. .542 -19. .663 1. .00 25. .70 ATOM 1652 CB GLU 174 28. .531 -7, .822 -20. .244 1. .00 21. .46 ATOM 1653 CG GLU 174 28. .706 -6. .545 -19. .477 1. .00 24. .32 ATOM 1654 CD GLU 174 29. .944 -5. .776 -19. .873 1. .00 31. .18 ATOM 1655 OEI GLU 174 31. .017 -6. .383 -20. .010 1. ,00 37, .96 ATOM 1656 OE2 GLU 174 29. .824 -4. ,560 -20. ,021 1. 00 30. .27 ATOM 1657 C GLU 174 26. .919 -9. .632 -20. ,632 1. ,00 26. .95 ATOM 1658 O GLU 174 25. .868 -9. ,544 -21. ,276 1. ,00 27. .65 ATOM 1659 N ARG 175 27. ,699 -10. ,711 -20. ,690 1. 00 30. .32 ATOM 1660 H ARG 175 28. ,513 -10. ,712 -20. 144 1. 00 0. .00 ATOM 1661 CA ARG 175 27. 374 -11. 870 -21. 517 1. 00 32. ,32 ATOM 1662 CB ARG 175 28. ,389 -12. ,991 -21. 253 1. 00 37. .30 ATOM 1663 CG ARG 175 29. 859 -12. 688 -21. 529 1. 00 45. .49 ATOM 1664 CD ARG 175 30. 745 -13. 832 -21. 022 1. 00 51. .37 ATOM 1665 NE ARG 175 32. 019 -13. 336 -20. 499 1. 00 55. .15 ATOM 1666 HE ARG 175 32. 252 -12. 393 -20. 637 1. 00 0. .00 ATOM 1667 CZ ARG 175 32. 890 -14. 117 -19. 832 1. 00 59. .00 ATOM 1668 NHI ARG 175 32. 656 -15. 414 -19. 599 1. 00 58. .66 ATOM 1669 : HH11 ARG 175 31. 812 -15. 837 -19. 926 1. 00 0. ,00 ATOM 1670 : HHl2 ARG 175 33. 332 -15. 959 -19. 102 1. 00 0. ,00 271 ATOM 1671 NH2 ARG 175 34.024 -13.588 -19.361 1 .00 61.91 ATOM 1672 HH21 ARG 175 34 .213 -12 .616 -19 .502 X .00 0 .00 ATOM 1673 HH22 ARG 175 34 .681 -14 .160 -18 .872 1 .00 0 .00 ATOM 1674 C ARG 175 25 .963 -12 .388 -21 .213 1 .00 30 .27 ATOM 1675 O ARG 175 25 .110 -12 .551 -22 .088 1 .00 32 .04 ATOM 1676 N LYS 176 25 .702 -12 .560 -19 .921 1 .00 32 .42 ATOM 1677 H LYS 176 26 .414 -12 .342 -19 .277 1 .00 0 .00 ATOM 1678 CA LYS 176 24 .452 -13 .071 -19 .401 1 .00 32 .03 ATOM 1679 CB LYS 176 24 .531 -13 .145 -17 .892 1 .00 35, .56 ATOM 1680 CG LYS 176 23 .547 -14 .115 -17 .250 1 .00 44, .13 ATOM 1681 CD LYS 176 24 .055 -15 .547 -17 .412 1 .00 48, .57 ATOM 1682 CE LYS 176 25, .324 -15, .720 -16, .575 X .00 52, .52 ATOM 1683 NZ LYS 176 25, .941 -17, .022 -16, .754 1 .00 52. .83 ATOM 1684 HZ1 LYS 176 26, .298 -17. .096 -17, .728 X , .00 0. .00 ATOM 1685 HZ2 LYS 176 25. .235 -17. .766 -16. .585 1 .00 0. .00 ATOM 1686 HZ3 LYS 176 26. .728 -17. .135 -16. .083 _, .00 0. .00 ATOM 1687 C LYS 176 23. .285 -12. .195 -19. .791 .00 31. .06 ATOM 1688 O LYS 176 22. .269 -12. .672 -20. .284 1. .00 31. .58 ATOM 1689 N LEU 177 23. .436 -10. .892 -19. .595 X . .00 34. .11 ATOM 1690 H LEU 177 24. .296 -10. .569 -19. .251 1 .00 0. .00 ATOM 1691 CA LEU 177 22. .383 -9. .922 -19. .855 X . .00 32. .25 ATOM 1692 CB LEU 177 22. .814 -8. .567 -19. .282 .00 30. .73 ATOM 1693 CG LEU 177 22. .271 -7. .948 -17. .963 1. .00 31. .54 ATOM 1694 CDl LEU 177 21. .559 -8. .933 -17. .048 .00 26. .77 ATOM 1695 CD2 LEU 177 23. .468 -7. ,352 -17. .267 • .00 24. .48 ATOM 1696 C LEU 177 22. .080 -9. .800 -21. .333 .00 32. .45 ATOM 1697 O LEU 177 20. .930 -9. .592 -21. .719 _ .00 34. .39 ATOM 1698 N TYR 178 23. .085 -9. ,914 -22. .199 X _ ,00 34. .48 ATOM 1699 H TYR 178 23. .995 -10. ,079 -21. .869 .00 0. .00 ATOM 1700 CA TYR 178 22. .838 -9. ,805 -23. .628 1 .00 36. .68 ATOM 1701 CB TYR 178 24. .156 -9. ,530 -24. .341 1. .00 35. .30 ATOM 1702 CG TYR 178 24. .568 -8. ,071 -24. .223 1. .00 31. .08 ATOM 1703 CDl TYR 178 23. .631 -7. .081 -24. .509 1. .00 30. .05 ATOM 1704 CEI TYR 178 23. .995 -5. .745 -24. .396 1. .00 30. .73 ATOM 1705 CD2 TYR 178 25. .867 -7. .715 -23. .825 X . .00 29. .53 ATOM 1706 CE2 TYR 178 26. .232 -6. .366 -23. .709 1. .00 26. .18 ATOM 1707 CZ TYR 178 25. .282 -5. .387 -23. .999 X ι .00 25. .96 ATOM 1708 OH TYR 178 25. .580 -4. .043 -23. .874 1, .00 25. .36 ATOM 1709 HH TYR 178 25. .002 -3. .585 -24. .505 1, .00 0, .00 272 WO97/08300 1 P > CCTT/US96/13918 ATOM 1710 C TYR 178 22.172 -11 .038 -24 .219 1 .00 38 .35 ATOM 1711 O TYR 178 21.576 -11 .020 -25 .307 1 .00 37 .60 ATOM 1712 N SER 179 22.300 -12 .135 -23 .481 1 .00 40 .20 ATOM 1713 H SER 179 22.747 -12 .098 -22 .611 1 .00 0 .00 ATOM 1714 CA SER 179 21.693 -13 .366 -23 .885 1 .00 40 .95 ATOM 1715 CB SER 179 22.147 -14 .488 -22 .964 1 .00 38 .18 ATOM 1716 OG SER 179 23.552 -14 .693 -23 .097 1 .00 42 .54 ATOM 1717 HG SER 179 24.014 -13 .865 -22 .917 1 .00 0 .00 ATOM 1718 C SER 179 20.181 -13 .236 -23 .859 1 .00 44 .69 ATOM 1719 O SER 179 19.507 -12 .850 -22 .897 1 .00 43 .01 ATOM 1720 N GLY 180 19.685 -13 .487 -25 .059 1 .00 49 .23 ATOM 1721 H GLY 180 20.289 -13 .525 -25 .832 1 .00 0 .00 ATOM 1722 CA GLY 180 18.273 -13 .576 -25 .269 1. .00 50, .39 ATOM 1723 C GLY 180 17.657 -12 .238 -25 .579 1 .00 53 .13 ATOM 1724 O GLY 180 18.179 -11 .405 -26 .325 1. .00 52 .03 ATOM 1725 N ALA 181 16.551 -12, .099 -24 .852 1. .00 55, .03 ATOM 1726 H ALA 181 16.426 -12, .708 -24, .086 1. .00 0. .00 ATOM 1727 CA ALA 181 15.575 -11. .041 -25. .034 1. .00 54. .94 ATOM 1728 CB ALA 181 14.436 -11. .279 -24. .044 1. .00 56. .02 ATOM 1729 C ALA 181 16.003 -9, .584 -24. .928 1. .00 54. .22 ATOM 1730 O ALA 181 15.448 -8. .741 -25. .638 1. .00 56. .20 ATOM 1731 N GLN 182 16.947 -9. .267 -24. .032 1. .00 49. .18 ATOM 1732 H GLN 182 17.366 -9. .999 -23. .535 1. .00 0. .00 ATOM 1733 CA GLN 182 17.430 -7. .908 -23. .794 1. ,00 44. .29 ATOM 1734 CB GLN 182 18.314 -7. .462 -24. ,967 1. ,00 41. ,96 ATOM 1735 CG GLN 182 19.551 -8. .314 -25. ,058 1. 00 41. ,18 ATOM 1736 CD GLN 182 20.483 -7. .844 -26. .148 1. ,00 44. ,47 ATOM 1737 OEI GLN 182 20.784 -6. .664 -26. .295 1. ,00 48. .23 ATOM 1738 NE2 GLN 182 21.012 -8. ,740 -26. .949 1. ,00 50. ,67 ATOM 1739 HE21 GLN 182 20.793 -9. ,686 -26. ,786 1. 00 0. ,00 ATOM 1740 HE22 GLN 182 21.587 -8. ,410 -27. 662 1. 00 0. 00 ATOM 1741 C GLN 182 16.324 -6. 875 -23. 552 1. 00 40. 00 ATOM 1742 O GLN 182 16.323 -5. 731 -24. 026 1. 00 41. 01 ATOM 1743 N THR 183 15.365 -7. ,291 -22. 735 1. 00 35. 70 ATOM 1744 H THR 183 15.390 -8. 208 -22. 393 1. 00 0. 00 ATOM 1745 CA THR 183 14.255 -6. 456 -22. 308 1. 00 33. 60 ATOM 1746 CB THR 183 13.298 -7. 378 -21. 503 1. 00 36. 83 ATOM 1747 OG1 THR 183 13.223 -8. 626 -22. 202 1. 00 40. 13 ATOM 1748 HG1 THR 183 12.742 -8. 509 -23. 029 1. 00 0. 00 273 - ATOM 1749 CG2 THR 183 11.906 -6.789 -21.348 1.00 38.03 ATOM 1750 C THR 183 14 .790 -5 .271 -21 .471 1 .00 32 .43 ATOM 1751 O THR 183 15 .797 -5 .393 -20 .764 1 .00 30 .96 ATOM 1752 N ASP 184 14 .166 -4 .091 -21 .553 1 .00 30 .47 ATOM 1753 H ASP 184 13, .379 -4 .025 -22 .126 1 .00 0 .00 ATOM 1754 CA ASP 184 14, .538 -2, .916 -20 .779 1, .00 28, .11 ATOM 1755 CB ASP 184 13, .670 -1, .722 -21 .181 1, .00 28, .38 ATOM 1756 CG ASP 184 14. .010 -0. .944 -22, .457 1, .00 32. .30 ATOM 1757 ODI ASP 184 13, .124 -0. .235 -22, .959 1, .00 29. .32 ATOM 1758 OD2 ASP 184 15, .144 -1, .024 -22 .938 1 .00 30 .40 ATOM 1759 C ASP 184 14, .336 -3, .192 -19 .285 1 .00 26, .83 ATOM 1760 O ASP 184 13, .322 -3, .777 -18 .894 1, .00 24, .72 ATOM 1761 N GLY 185 15, .294 -2, .826 -18, .441 1, .00 25, .09 ATOM 1762 H GLY 185 16. .080 -2, .372 -18, .798 1, .00 0. .00 ATOM 1763 CA GLY 185 15. .206 -3. .060 -17, .010 1, .00 25. .19 ATOM 1764 C GLY 185 15. .537 -4. .484 -16, .606 1, .00 20. .65 ATOM 1765 O GLY 185 15. .341 -4. .837 -15. .450 1. .00 20. .02 ATOM 1766 N LYS 186 16. .048 -5. .333 -17. .498 1. .00 21. .61 ATOM 1767 H LYS 186 16. .285 -4. .995 -18. .386 1. .00 0. .00 ATOM 1768 CA LYS 186 16. .388 -6. .706 -17. .155 1. .00 21. .03 ATOM 1769 CB LYS 186 16. .592 -7. .514 -18. .405 1. .00 22. .81 ATOM 1770 CG LYS 186 17. .021 -8. .954 -18. .261 1. .00 23. .15 ATOM 1771 CD LYS 186 17. .304 -9. .312 -19. .716 1. .00 24. .01 ATOM 1772 CE LYS 186 18. .073 -10. .597 -19. .860 1. .00 25. .57 ATOM 1773 NZ LYS 186 18. .360 -10. .834 -21. .258 1. .00 26. .92 ATOM 1774 HZ1 LYS 186 18. .897 -10. .028 -21. .638 1. .00 0. .00 ATOM 1775 HZ2 LYS 186 17. .473 -10. .945 -21. .789 1. .00 0. .00 ATOM 1776 HZ3 LYS 186 18. .932 -11. .698 -21. .346 1. .00 0. .00 ATOM 1777 C LYS 186 17. .678 -6. .569 -16. .401 1. .00 20. .18 ATOM 1778 O LYS 186 18. .632 -5. .993 -16. .932 1. .00 22. .74 ATOM 1779 N PHE 187 17. .736 -7. .127 -15. .209 1. .00 18. .17 ATOM 1780 H PHE 187 17. .018 -7. .724 -14. .905 1. .00 0. .00 ATOM 1781 CA PHE 187 18. .835 -6. .825 -14. .323 1. .00 15. .32 ATOM 1782 CB PHE 187 18. .343 -5. .741 -13. .341 1. .00 13. .75 ATOM 1783 CG PHE 187 17. .375 -6. .215 -12. .254 1. .00 10. .60 ATOM 1784 CDl PHE 187 17. .851 -6. .516 -10, .963 1. .00 4. .59 ATOM 1785 CD2 PHE 187 16. .027 -6. .375 -12. .550 1. .00 6. .32 ATOM 1786 CEI PHE 187 16, .975 -6, .978 -10 .000 1, .00 3 .69 ATOM 1787 CE2 PHE 187 15, .161 -6 .840 -11 .564 1 .00 8 .44 274 ATOM 1788 CZ PHE 187 15.630 -7.146 -10.294 1.00 5.46 ATOM 1789 C PHE 187 19.404 -7.979 -13.538 1.00 12.65 ATOM 1790 O PHE 187 18.770 -9.031 -13.434 1.00 19.75 ATOM 1791 N LEU 188 20.550 -7.750 -12.906 1.00 11.33 ATOM 1792 H LEU 188 21.054 -6.926 -13.096 1.00 0.00 ATOM 1793 CA LEU 188 21.065 -8.647 -11.899 1.00 11.79 ATOM 1794 CB LEU 188 21.938 -9.744 -12.521 1.00 15.47 ATOM 1795 CG LEU 188 23.210 -9.476 -13.324 1.00 15.83 ATOM 1796 CDl LEU 188 24.466 -9.304 -12.465 1.00 8.89 ATOM 1797 CD2 LEU 188 23.364 -10.695 -14.223 1.00 13.24 ATOM 1798 C LEU 188 21.892 -7.837 -10.908 1.00 13.76 ATOM 1799 O LEU 188 22.306 -6.706 -11.206 1.00 9.67 ATOM 1800 N LEU 189 22.156 -8.386 -9.726 1.00 11.91 ATOM 1801 H LEU 189 21.844 -9.295 -9.525 1.00 0.00 ATOM 1802 CA LEU 189 23.002 -7.720 -8.770 1.00 11.04 ATOM 1803 CB LEU 189 22.139 -7.371 -7.533 1.00 10.60 ATOM 1804 CG LEU 189 22.718 -6.409 -6.467 1.00 10.76 ATOM 1805 CDl LEU 189 21.591 -5.775 -5.699 1.00 16.31 ATOM 1806 CD2 LEU 189 23.580 -7.144 -5.462 1.00 11.36 ATOM 1807 C LEU 189 24.090 -8.751 -8.511 1.00 10.52 ATOM 1808 O LEU 189 23.821 -9.956 -8.487 1.00 15.16 ATOM 1809 N ARG 190 25.335 -8.355 -8.354 1.00 9.93 ATOM 1810 H ARG 190 25.548 -7.398 -8.329 1.00 0.00 ATOM 1811 CA ARG 190 26.417 -9.296 -8.148 1.00 15.26 ATOM 1812 CB ARG 190 27.158 -9.565 -9.487 1.00 19.74 ATOM 1813 CG ARG 190 27.523 -8.309 -10.276 1.00 18.73 ATOM 1814 CD ARG 190 28.210 -8.529 -11.615 1.00 19.13 ATOM 1815 NE ARG 190 28.258 -7.264 ■12.327 1.00 15.71 ATOM 1816 HE ARG 190 27.488 -7.013 ■12.880 1.00 0.00 ATOM 1817 CZ ARG 190 29.300 -6.427 -12.264 1.00 12.44 ATOM 1818 NHI ARG 190 30.398 -6.661 ■11.557 1.00 12.24 ATOM 1819 HH11 ARG 190 30.484 -7.501 ■ 11.020 1.00 0.00 ATOM 1820 HH12 ARG 190 31.138 -5.988 ■11.551 1.00 0.00 ATOM 1821 NH2 ARG 190 29.204 -5.265 ■ 12.874 1.00 19.14 ATOM 1822 HH21 ARG 190 28.357 -5.038 -13.349 1.00 0.00 ATOM 1823 HH22 ARG 190 29.953 -4.608 -12.846 1.00 0.00 ATOM 1824 C ARG 190 27.363 -8.675 -7.128 1.00 17.85 ATOM 1825 O ARG 190 27.428 -7.441 -7.051 1.00 17.12 ATOM 1826 N PRO 191 28.063 -9.426 -6.269 1.00 19.25 275 - ATOM 1827 CD PRO 191 27.823 -10.832 -5.993 1.00 15.67 ATOM 1828 CA PRO 191 29 .087 -8 .896 -5 .386 1. .00 18 .77 ATOM 1829 CB PRO 191 29 .348 -9 .996 -4 .377 1, .00 17. .25 ATOM 1830 CG PRO 191 29 .015 -11 .250 -5 .129 1, .00 13, .46 ATOM 1831 C PRO 191 30 .314 -8, .517 -6 .174 1, .00 22, .81 ATOM 1832 O PRO 191 30, .605 -9, .074 -7 .241 1, .00 22. .89 ATOM 1833 N ARG 192 31. .057 -7, .551 -5, .672 1. .00 25. .23 ATOM 1834 H ARG 192 30, .882 -7. .165 -4. .790 1. .00 0. .00 ATOM 1835 CA ARG 192 32, .254 -7. .192 -6, .372 1. .00 27. .78 ATOM 1836 CB ARG 192 32 .321 -5, .708 -6 .573 1. .00 23. .97 ATOM 1837 CG ARG 192 31 .329 -5, .258 -7, .639 1. .00 20. .97 ATOM 1838 CD ARG 192 31, .708 -3. .925 -8, .249 1. .00 21. .89 ATOM 1839 NE ARG 192 32. .301 -3. .053 -7, .259 1. .00 29. .17 ATOM 1840 HE ARG 192 31. .803 -2. .865 -6. .436 1. .00 0. .00 ATOM 1841 CZ ARG 192 33. .503 -2. .487 -7. .403 1. ,00 33. .01 ATOM 1842 NHI ARG 192 34. .277 -2. .657 -8. .478 1. ,00 27. .14 ATOM 1843 HH11 ARG 192 33. .966 -3. .223 -9. .241 1. ,00 0. .00 ATOM 1844 HHl2 ARG 192 35. .166 ' -2. .200 -8. .525 1. ,00 0. .00 ATOM 1845 NH2 ARG 192 33, .960 -1. .776 -6. .376 1. .00 40. .84 ATOM 1846 HH21 ARG 192 33. .406 -1. .692 -5. .548 1. .00 0. .00 ATOM 1847 HH22 ARG 192 34. .853 -1. .330 -6. .427 1. .00 0. .00 ATOM 1848 C ARG 192 33. .425 -7. .668 -5. .557 1. .00 34. .57 ATOM 1849 O ARG 192 33. .324 -7. .845 -4. .339 1. .00 37. .12 ATOM 1850 N LYS 193 34. .526 -7. .881 -6. .289 1. .00 42. .26 ATOM 1851 H LYS 193 34. .467 -7. .655 -7. .245 1. ,00 0. .00 ATOM 1852 CA LYS 193 35. .795 -8. .403 -5. .795 1. .00 47. .15 ATOM 1853 CB LYS 193 36. .904 -8. .081 -6. .793 1. ,00 52. .06 ATOM 1854 CG LYS 193 36. .997 -8. .876 -8. .091 1. ,00 54. .92 ATOM 1855 CD LYS 193 38, .281 -8. .541 -8. .878 1. .00 55. .99 ATOM 1856 CE LYS 193 39, .618 -8. .936 -8. .217 1. .00 58. .17 ATOM 1857 NZ LYS 193 40, .052 -8. .033 -7. .156 1. .00 59. .70 ATOM 1858 HZ1 LYS 193 39, .351 -8. .030 -6. .388 1. .00 0, .00 ATOM 1859 HZ2 LYS 193 40, .147 -7. .069 -7. .537 1. .00 0, .00 ATOM 1860 HZ3 LYS 193 40, .973 -8. .345 -6. .784 1. .00 0, .00 ATOM 1861 C LYS 193 36, .264 -7. .923 -4, .427 1. .00 48, .59 ATOM 1862 O LYS 193 36, .714 -8, .701 -3, .585 1. .00 48, .16 ATOM 1863 N GLU 194 36, .139 -6, .621 -4. .202 1. .00 48, .68 ATOM 1864 H GLU 194 35 .613 -6 .112 -4 .842 1, .00 0 .00 ATOM 1865 CA GLU 194 36 .536 -5. .982 -2 .962 1 .00 52 .35 - 276 ATOM 1866 CB GLU 194 36.997 -4.537 -3.272 1.00 55.36 ATOM 1867 CG GLU 194 36 .171 -3 .649 -4 .234 1 .00 57 .27 ATOM 1868 CD GLU 194 36 .365 -3 .891 -5 .731 1 .00 56 .04 ATOM 1869 OEI GLU 194 37 .277 -3 .298 -6 .310 1 .00 56 .94 ATOM 1870 OE2 GLU 194 35 .595 -4 .652 -6 .319 1 .00 54 .29 ATOM 1871 C GLU 194 35 .267 -6 .045 -2 .121 1 .00 52 .06 ATOM 1872 O GLU 194 34 .474 -5 .109 -2 .048 1 .00 51 .19 ATOM 1873 N GLN 195 35 .081 -7 .232 -1 .545 1 .00 54 .38 ATOM 1874 H GLN 195 35 .805 -7 .885 -1 .636 1 .00 0 .00 ATOM 1875 CA GLN 195 33 .858 -7 .619 -0 .850 1 .00 55 .92 ATOM 1876 CB GLN 195 34 .139 -8 .895 -0 .051 1 .00 59, .23 ATOM 1877 CG GLN 195 34 .284 -10 .113 -0 .980 1 .00 61, .52 ATOM 1878 CD GLN 195 33 .058 -10 .451 -1 .830 1 .00 63, .22 ATOM 1879 OEI GLN 195 31. .897 -10, .254 -1 .457 1, .00 66. .50 ATOM 1880 NE2 GLN 195 33 .269 -11, .005 -3 .011 1, .00 64. .00 ATOM 1881 HE21 GLN 195 34 .194 -11, .170 -3, .287 1, .00 0, .00 ATOM 1882 HE22 GLN 195 32, .482 -11. .228 -3, .547 1, .00 0, .00 ATOM 1883 C GLN 195 33, .171 -6. .599 0. .039 1. .00 52. .83 ATOM 1884 O GLN 195 33. .784 -5. .715 0. .646 1. .00 54. .52 ATOM 1885 N GLY 196 31. .851 -6. .727 0. .086 1. .00 48. .51 ATOM 1886 H GLY 196 31. .410 -7. .490 -0. .347 1. .00 0. .00 ATOM 1887 CA GLY 196 31. .058 -5. .704 0. .734 1. .00 43. .01 ATOM 1888 C GLY 196 30. .677 -4. .644 -0. .298 1. .00 38. .41 ATOM 1889 O GLY 196 29. .901 -3. .742 0. .029 1. .00 39. .57 ATOM 1890 N THR 197 31. .232 -4. .650 -1. .524 1. ,00 34. ,03 ATOM 1891 H THR 197 31. .954 -5. .266 -1. .758 1. ,00 0. ,00 ATOM 1892 CA THR 197 30. .740 -3. .783 -2. .574 1. ,00 26. ,80 ATOM 1893 CB THR 197 31. .858 -3. .075 -3. .375 1. ,00 27. .15 ATOM 1894 OG1 THR 197 32. .759 -4. .048 -3. .873 1. ,00 29. ,46 ATOM 1895 HG1 THR 197 33. .343 -4. ,272 -3. .145 1. ,00 0. ,00 ATOM 1896 CG2 THR 197 32. .554 -2. .032 -2. .514 1. ,00 27. ,29 ATOM 1897 C THR 197 29. ,972 -4. ,717 -3. ,498 1. ,00 24. ,98 ATOM 1898 0 THR 197 30. .181 -5. ,945 -3. ,493 1. ,00 23. ,20 ATOM 1899 N TYR 198 29. ,030 -4. ,130 -4. ,243 1. ,00 21. ,47 ATOM 1900 H TYR 198 28. ,957 -3. ,149 -4. ,246 1. ,00 0. ,00 ATOM 1901 CA TYR 198 28. ,129 -4. ,849 -5. ,118 1. 00 18. ,56 ATOM 1902 CB TYR 198 26. ,753 -5. ,073 -4. ,426 1. ,00 12. ,78 ATOM 1903 CG TYR 198 26. ,823 -5. 927 -3. ,146 1. 00 22. ,01 ATOM 1904 CDl TYR 198 27. ,142 -5. 362 -1. 895 1. 00 20. ,02 277 ATOM 1905 CEI TYR 198 27.264 -6.166 -0.747 1.00 22,.60 ATOM 1906 CD2 TYR 198 26, .618 -7 .306 -3 .214 1, .00 19, .95 ATOM 1907 CE2 TYR 198 26 .741 -8 .114 -2 .071 1, .00 25 .51 ATOM 1908 CZ TYR 198 27, .065 -7 .544 -0 .837 1, .00 23, .70 ATOM 1909 OH TYR 198 27, .201 -8 .359 0, .286 1. .00 31. .49 ATOM 1910 HH TYR 198 27 .735 -9 .132 0 .008 1, .00 0, .00 ATOM 1911 C TYR 198 27, .965 -3, .975 -6, .365 1. .00 21. .17 ATOM 1912 O TYR 198 28. .322 -2, .782 -6, .377 1. .00 18. .78 ATOM 1913 N ALA 199 27. .514 -4, .574 -7, .465 1. .00 17. .77 ATOM 1914 H ALA 199 27. .340 -5, .539 -7, .472 1. .00 0. .00 ATOM 1915 CA ALA 199 27. .203 -3. .802 -8. .639 1. .00 17. .47 ATOM 1916 CB ALA 199 28. .194 -4, .003 -9. .768 1. .00 16. .18 ATOM 1917 C ALA 199 25. .877 -4. .356 -9. .092 1. .00 18. .13 ATOM 1918 O ALA 199 25. .602 -5, .564 -8, .991 1. .00 22. .08 ATOM 1919 N LEU 200 25. .047 -3, .427 -9. .530 1. ,00 14. .97 ATOM 1920 H LEU 200 25. .351 -2. .496 -9. .531 1. ,00 0. .00 ATOM 1921 CA LEU 200 23. .747 -3, .719 -10. .080 1. ,00 17. .06 ATOM 1922 CB LEU 200 22. .780 -2. .719 -9. .450 1. ,00 12. .56 ATOM 1923 CG LEU 200 21. .249 -2. .769 -9. .466 1. ,00 21. .69 ATOM 1924 CDl LEU 200 20. .765 -1. .518 -10. .193 1. ,00 17. .31 ATOM 1925 CD2 LEU 200 20. .710 -4. .042 -10. .105 1. ,00 16. .41 ATOM 1926 C LEU 200 23. .964 -3. .527 -11. .591 1. ,00 15. ,53 ATOM 1927 O LEU 200 24. .416 -2. .467 -12. .025 1. ,00 11. .97 ATOM 1928 N SER 201 23. .746 -4. .526 -12. .434 1. ,00 17. .37 ATOM 1929 H SER 201 23. .328 -5. .350 -12. .112 1. ,00 0, .00 ATOM 1930 CA SER 201 23. .939 -4, .381 -13. .867 1. ,00 18. .19 ATOM 1931 CB SER 201 24. .899 -5, .455 -14. .323 1. ,00 15. .29 ATOM 1932 OG SER 201 26. .098 -5, .406 -13. .557 ' 1. .00 13. .30 ATOM 1933 HG SER 201 25. .836 -5, .633 -12. .651 1. .00 0, .00 ATOM 1934 C SER 201 22. .594 -4. .535 -14. .549 1. .00 16, .35 ATOM 1935 O SER 201 21. .864 -5, .452 -14. .163 1. .00 17, .51 ATOM 1936 N LEU 202 22. .194 -3, .704 -15. .513 1. .00 20, .48 ATOM 1937 H LEU 202 22. ,784 -2, .981 -15. .814 1. .00 0, .00 ATOM 1938 CA LEU 202 20. .906 -3 .879 -16. .184 1. .00 20 .46 ATOM 1939 CB LEU 202 19. .826 -2, .932 -15, .635 1. .00 19 .55 ATOM 1940 CG LEU 202 19, .923 -1 .415 -15, .745 1. .00 20 .47 ATOM 1941 CDl LEU 202 18, .554 -0 .802 -15, .515 1, .00 26 .80 ATOM 1942 CD2 LEU 202 20, .906 -0 .888 -14, .726 1, .00 24 .17 ATOM 1943 C LEU 202 20 .997 -3 .636 -17 .679 1 .00 24 .32 278 - ATOM 1944 O LEU 202 22.026 -3.156 -18.168 1.00 22.66 ATOM 1945 N ILE 203 19.929 -3.998 -18.393 1.00 25.50 ATOM 1946 H ILE 203 19.187 -4.430 -17.925 1.00 0.00 ATOM 1947 CA ILE 203 19.801 -3.775 -19.817 1.00 23.41 ATOM 1948 CB ILE 203 19.185 -5.025 -20.488 1.00 24.34 ATOM 1949 CG2 ILE 203 18.668 -4.683 -21.880 1.00 29.27 ATOM 1950 CGI ILE 203 20.225 -6.114 -20.595 1.00 20.19 ATOM 1951 CD ILE 203 21.302 -5.877 -21.688 1.00 27.26 ATOM 1952 C ILE 203 18.902 -2.567 -20.030 1.00 24.65 ATOM 1953 O ILE 203 17.835 -2.440 -19.411 1.00 26.06 ATOM 1954 N TYR 204 19.326 -1.667 -20.901 1.00 23.00 ATOM 1955 H TYR 204 20.252 -1.690 -21.219 1.00 0.00 ATOM 1956 CA TYR 204 18.505 -0.566 -21.310 1.00 22.39 ATOM 1957 CB TYR 204 18.691 0.638 -20.392 1.00 23.53 ATOM 1958 CG TYR 204 17.817 1.779 -20.871 1.00 19.38 ATOM 1959 CDl TYR 204 16.435 1.597 -20.888 1.00 21.27 ATOM 1960 CEI TYR 204 15.613 2.589 -21.400 1.00 23.27 ATOM 1961 CD2 TYR 204 18.389 2.952 -21.353 1.00 17.37 ATOM 1962 CE2 TYR 204 17.566 3.946 -21.872 1.00 20.74 ATOM 1963 CZ TYR 204 16.189 3.749 -21.888 1.00 22.21 ATOM 1964 OH TYR 204 15.364 4.701 -22.428 1.00 35.35 ATOM 1965 HH TYR 204 15.823 5.551 -22.421 1.00 0.00 ATOM 1966 C TYR 204 18.951 -0.202 -22.712 1.00 24.33 ATOM 1967 O TYR 204 20.108 0.141 -22.948 1.00 23.64 ATOM 1968 N GLY 205 18.035 -0.296 -23.672 1.00 27.09 ATOM 1969 H GLY 205 17.167 -0.691 -23.456 1.00 0.00 ATOM 1970 CA GLY 205 18.331 0.022 -25.063 1.00 28.04 ATOM 1971 C GLY 205 19.445 -0.886 -25.568 1.00 28.26 ATOM 1972 O GLY 205 20.434 -0.425 -26.129 1.00 29.56 ATOM 1973 N LYS 206 19.310 -2.183 -25.274 1.00 30.20 ATOM 1974 H LYS 206 18.469 -2.463 -24.853 1.00 0.00 ATOM 1975 CA LYS 206 20.310 -3.204 -25.576 1.00 30.88 ATOM 1976 CB LYS 206 20.348 -3.437 -27.106 1.00 39.67 ATOM 1977 CG LYS 206 19.208 -4.284 -27.668 1.00 46.40 ATOM 1978 CD LYS 206 19.427 -4.533 -29.171 1.00 58.59 ATOM 1979 CE LYS 206 18.857 -5.858 -29.733 1.00 59.73 ATOM 1980 NZ LYS 206 17.414 -5.981 -29.599 1.00 60.63 ATOM 1981 HZ1 LYS 206 17.100 -6.871 -30.034 1.00 0.00 ATOM 1982 HZ2 LYS 206 16.942 -5.181 -30.067 1.00 0.00 - 279 - ATOM 1983 HZ3 LYS 206 17.164 -5.984 -28.588 1.00 0.00 ATOM 1984 C LYS 206 21 .713 -2 .885 -25 .048 1 .00 27 .65 ATOM 1985 O LYS 206 22 .715 -3 .453 -25 .484 1 .00 26 .71 ATOM 1986 N THR 207 21 .854 -1 .988 -24 .075 1 .00 27 .08 ATOM 1987 H THR 207 21 .093 -1 .475 -23 .736 1, .00 0, .00 ATOM 1988 CA THR 207 23 .157 -1 .686 -23 .497 1. .00 29, .48 ATOM 1989 CB THR 207 23, .513 -0 .193 -23 .705 1. .00 26, .97 ATOM 1990 OG1 THR 207 23, .486 0 .043 -25 .101 1. .00 30, .98 ATOM 1991 HG1 THR 207 22, .576 -0 .039 -25 .421 1. .00 0, .00 ATOM 1992 CG2 THR 207 24. .897 0, .172 -23. .191 1. .00 21. .13 ATOM 1993 C THR 207 23. .126 -2. .009 -22. .006 1. .00 31. .62 ATOM 1994 O THR 207 22. .104 -1, .825 -21, .322 1. .00 29. .33 ATOM 1995 N VAL 208 24. .243 -2, .586 -21, .544 1. .00 32. .82 ATOM 1996 H VAL 208 24. .986 -2, .778 -22, .157 1. .00 0. .00 ATOM 1997 CA VAL 208 24. .418 -2, .923 -20, .146 1, .00 27. .75 ATOM 1998 CB VAL 208 25. .352 -4. .142 -19. .988 1. .00 26. .11 ATOM 1999 CGI VAL 208 25. .598 -4. .433 -18. .520 1. .00 25. .10 ATOM 2000 CG2 VAL 208 24. .688 -5. .371 -20. .555 1. .00 21. .70 ATOM 2001 C VAL 208 25. .030 -1. .705 -19. .479 1. .00 26. .14 ATOM 2002 O VAL 208 26. .021 -1. .153 -19. .973 1. .00 24. .51 ATOM 2003 N TYR 209 24. .398 -1. .315 -18. .369 1. .00 24. .22 ATOM 2004 H TYR 209 23. .600 - 1 . .825 -18. .102 1. .00 0. .00 ATOM 2005 CA TYR 209 24. .819 -0. .206 -17. .528 1. .00 20. .40 ATOM 2006 CB TYR 209 23. .703 0. .788 -17. .413 1. .00 21. .23 ATOM 2007 CG TYR 209 23. .419 1. .508 -18. .712 1. .00 25. .84 ATOM 2008 CDl TYR 209 24. .275 2. .526 -19. .114 1. .00 27. .02 ATOM 2009 CEI TYR 209 24. .025 3. .264 -20. .261 1. .00 30. .87 ATOM 2010 CD2 TYR 209 22. .293 1. .197 -19. .473 1. .00 25. .74 ATOM 2011 CE2 TYR 209 22. .033 1. .929 -20. .630 1. .00 33. .37 ATOM 2012 CZ TYR 209 22. .899 2. .958 -21. .010 1. .00 34. .59 ATOM 2013 OH TYR 209 22. .636 3. .699 -22. .143 1. .00 43. .26 ATOM 2014 HH TYR 209 22. .811 4. .641 -21. .974 1. .00 0. .00 ATOM 2015 C TYR 209 25. .151 -0. .751 -16. .144 1. .00 18. .17 ATOM 2016 O TYR 209 24. .410 -1. .594 -15. .633 1. .00 17, .18 ATOM 2017 N HIS 210 26. .256 -0. .371 -15. .515 1. .00 17. .72 ATOM 2018 H HIS 210 26. .826 0. .337 -15, .894 1. .00 0 .00 ATOM 2019 CA HIS 210 26. .609 -0, .918 -14, .218 1, .00 19 .24 ATOM 2020 CB HIS 210 28. .008 -1. .531 -14. .215 1. .00 21, .16 ATOM 2021 CG HIS 210 28. .135 -2 . .724 -15. .153 1. .00 23, .97 280 ATOM 2022 CD2 HIS 210 28.543 -2.656 -16.468 1.00 24.36 ATOM 2023 NDI HIS 210 27.881 -3.996 -14.891 1.00 22.98 ATOM 2024 HD1 HIS 210 27.529 -4.364 -14.052 1.00 0.00 ATOM 2025 CEI HIS 210 28.110 -4.701 -15.967 1.00 22.54 ATOM 2026 NE2 HIS 210 28.506 -3.884 -16.907 1.00 21.56 ATOM 2027 HE2 HIS 210 28.750 -4.161 -17.817 1.00 0.00 ATOM 2028 C HIS 210 26.581 0.172 -13.181 1.00 18.72 ATOM 2029 O HIS 210 27.158 1.225 -13.437 1.00 17.56 ATOM 2030 N TYR 211 25.888 -0.025 -12.059 1.00 17.28 ATOM 2031 H TYR 211 25.420 -0.876 -11.933 1.00 0.00 ATOM 2032 CA TYR 211 25.817 0.927 -10.966 1.00 15.79 ATOM 2033 CB TYR 211 24.404 1.190 -10.547 1.00 10.05 ATOM 2034 CG TYR 211 23.724 2.032 -11.583 1.00 12.14 ATOM 2035 CDl TYR 211 23.025 1.419 -12.615 1.00 14.77 ATOM 2036 CEI TYR 211 22.378 2.205 -13.576 1.00 17.95 ATOM 2037 CD2 TYR 211 23.793 3.422 -11.497 1.00 13.82 ATOM 2038 CE2 TYR 211 23.146 4.214 -12.450 1.00 14.13 ATOM 2039 CZ TYR 211 22.440 3.600 -13.487 1.00 17.28 ATOM 2040 OH TYR 211 21.765 4.360 -14.428 1.00 14.60 ATOM 2041 HH TYR 211 22.097 5.271 -14.394 1.00 0.00 ATOM 2042 C TYR 211 26.528 0.305 -9.795 1.00 17.49 ATOM 2043 O TYR 211 26.389 -0.900 -9.552 1.00 20.48 ATOM 2044 N LEU 212 27.312 1.111 -9.090 1.00 17.95 ATOM 2045 H LEU 212 27.306 2.074 -9.285 1.00 0.00 ATOM 2046 CA LEU 212 28.100 0.653 -7.961 1.00 15.94 ATOM 2047 CB LEU 212 29.274 1.590 -7.816 1.00 16.35 ATOM 2048 CG LEU 212 30.459 1.166 -7.014 1.00 17.69 ATOM 2049 CDl LEU 212 30.986 -0.162 -7.495 1.00 21.17 ATOM 2050 CD2 LEU 212 31.528 2.213 -7.189 1.00 23.05 ATOM 2051 C LEU 212 27.230 0.663 -6.724 1.00 15.43 ATOM 2052 O LEU 212 26.326 1.493 -6.647 1.00 17.00 ATOM 2053 N ILE 213 27.397 -0.243 -5.765 1.00 14.45 ATOM 2054 H ILE 213 28.088 -0.934 -5.854 1.00 0.00 ATOM 2055 CA ILE 213 26.591 -0.197 -4.566 1.00 12.29 ATOM 2056 CB ILE 213 25.504 -1.310 -4.579 1.00 10.74 ATOM 2057 CG2 ILE 213 24.772 -1.292 -3.234 1.00 8.99 ATOM 2058 CGI ILE 213 24.504 -1.100 -5.725 1.00 9.15 ATOM 2059 CD ILE 213 23.386 -2.155 -5.837 1.00 2.00 ATOM 2060 C ILE 213 27.581 -0.409 -3.440 1.00 12.99 281 ATOM 2061 O ILE 213 28.458 -1.266 -3.511 1.00 13.44 ATOM 2062 N SER 214 27 .539 0 .409 -2 .406 1 .00 15 .58 ATOM 2063 H SER 214 26 .849 1 .103 -2 .368 1 .00 0 .00 ATOM 2064 CA SER 214 28 .435 0 .266 -1 .286 1 .00 18 .78 ATOM 2065 CB SER 214 29 .515 1 .352 -1 .367 1 .00 18 .30 ATOM 2066 OG SER 214 30 .131 1 .374 -2 .657 1 .00 26 .17 ATOM 2067 HG SER 214 29 .992 0 .512 -3 .070 1 .00 0 .00 ATOM 2068 C SER 214 27 .595 0 .401 -0 .020 1, .00 21. .15 ATOM 2069 O SER 214 26 .462 0, .921 0 .001 1, .00 18, .71 ATOM 2070 N GLN 215 28 .159 -0 .172 1 .035 1, .00 23, .98 ATOM 2071 H GLN 215 29, .053 -0 .568 0 .974 1, .00 0, .00 ATOM 2072 CA GLN 215 27, .546 -0, .162 2, .338 1. .00 28. .50 ATOM 2073 CB GLN 215 27, .528 -1, .599 2, .792 1. .00 22. .80 ATOM 2074 CG GLN 215 26. .814 -1. .698 4, .085 1. .00 25. .14 ATOM 2075 CD GLN 215 26, .746 -3. .095 4, .636 1. .00 29. .02 ATOM 2076 OEI GLN 215 27. .642 -3. .924 4. .521 1. ,00 34. .28 ATOM 2077 NE2 GLN 215 25. .627 -3. .395 5. .265 1. ,00 30. .80 ATOM 2078 HE21 GLN 215 24. .898 -2. .740 5. .289 1. ,00 0. ,00 ATOM 2079 HE22 GLN 215 25. .607 -4. .263 5. .713 1. .00 0. .00 ATOM 2080 C GLN 215 28. .362 0. .757 3. .262 1. .00 33. .95 ATOM 2081 O GLN 215 29. .604 0. .709 3. .248 1. .00 36. .63 ATOM 2082 N ASP 216 27. .723 1. .654 4, .016 1. .00 34. .60 ATOM 2083 H ASP 216 26. .758 1. .767 3. .899 1. .00 0. .00 ATOM 2084 CA ASP 216 28. .456 2. .492 4. .953 1. .00 40. .28 ATOM 2085 CB ASP 216 27. .723 3. .833 5. .154 1. ,00 43. .67 ATOM 2086 CG ASP 216 26. .240 3. .802 5. .557 1. ,00 45. ,13 ATOM 2087 ODI ASP 216 25. .830 2. .926 6. .315 1. ,00 44. .28 ATOM 2088 OD2 ASP 216 25. ,488 4. ,673 5. ,118 1. ,00 44. .20 ATOM 2089 C ASP 216 28. .625 1. .783 6. .295 1. .00 43. .90 ATOM 2090 O ASP 216 27. .872 0. .851 6. .578 1. ,00 47. .97 ATOM 2091 N LYS 217 29. .514 2. .220 7. .201 1. ,00 45. .32 ATOM 2092 H LYS 217 30. .087 2. .958 6. .916 1. .00 0. .00 ATOM 2093 CA LYS 217 29. .754 1. .599 8. .517 1. .00 41. .99 ATOM 2094 CB LYS 217 30. .698 2. .467 9. .376 1. ,00 42. .40 ATOM 2095 CG LYS 217 30. .279 3. .912 9. .649 1. .00 46. .37 ATOM 2096 CD LYS 217 30. .563 4. .860 8. .484 1. .00 46. .52 ATOM 2097 CE LYS 217 29. .906 6. .201 8. .735 1. ,00 48. .92 ATOM 2098 NZ LYS 217 30. .394 7. .190 7. .799 1. .00 49. .37 ATOM 2099 HZ1 LYS 217 30. .186 6. .881 6, .828 1. .00 0. .00 - 282 ATOM 2100 HZ2 LYS 217 31.422 7.301 7.916 1.00 0.00 ATOM 2101 HZ3 LYS 217 29 .924 8 .099 7 .985 1 .00 0 .00 ATOM 2102 C LYS 217 28 .518 1 .306 9 .356 1 .00 39 .51 ATOM 2103 0 LYS 217 28 .443 0 .314 10 .088 1 .00 36 .58 ATOM 2104 N ALA 218 27 .521 2 .178 9 .183 1 .00 38 .15 ATOM 2105 H ALA 218 27 .665 2 .928 8 .576 1 .00 0 .00 ATOM 2106 CA ¬ ALA 218 26 .221 2 .054 9 .829 1 .00 36 .79 ATOM 2107 CB ALA 218 25 .535 3 .423 9 .784 1 .00 34 .86 ATOM 2108 C ALA 218 25 .314 0 .991 9 .178 1 .00 35 .43 ATOM 2109 O ALA 218 24 .112 0 .914 9 .449 1 .00 34 .77 ATOM 2110 N GLY 219 25 .840 0 .184 8 .255 1 .00 32 .78 ATOM 2111 H GLY 219 26 .777 0 .284 8. .010 1 .00 0, .00 ATOM 2112 CA GLY 219 25 .102 -0 .907 7 .644 1 .00 30 .47 ATOM 2113 C GLY 219 24 .190 -0 .554 6 .484 1, .00 26, .67 ATOM 2114 O GLY 219 23. .627 -1, .481 5, .904 1, .00 27. .94 ATOM 2115 N LYS 220 24 .069 0 .703 6 .077 1, .00 21. .58 ATOM 2116 H LYS 220 24, .534 1, .383 6, .592 1, .00 0. .00 ATOM 2117 CA LYS 220 23. .171 1, .111 5. .001 1. .00 18. .65 ATOM 2118 CB LYS 220 22. .620 2, .478 5, .324 1, .00 19. .50 ATOM 2119 CG LYS 220 21. .841 2. .359 6. .621 1. .00 24. .09 ATOM 2120 CD LYS 220 21. .455 3. .712 7. .137 1. .00 29. .01 ATOM 2121 CE LYS 220 20. .193 4. .202 6. .464 1. .00 34. .13 ATOM 2122 NZ LYS 220 19. .009 3. .547 6. .978 1. .00 33. .94 ATOM 2123 HZ1 LYS 220 18. .175 4. .046 6. .615 1. .00 0. .00 ATOM 2124 HZ2 LYS 220 19. .007 3. .607 8. .017 1. .00 0. .00 ATOM 2125 HZ3 LYS 220 18. .983 2. .550 6. ,684 1. .00 0. ,00 ATOM 2126 C LYS 220 23. .772 1. .126 3. ,609 1. ,00 14. ,52 ATOM 2127 O LYS 220 24. .863 1. .647 3. ,367 1. ,00 14. ,63 ATOM 2128 N TYR 221 23. ,019 0. .538 2. ,695 1. ,00 9. ,58 ATOM 2129 H TYR 221 22. ,127 0. .234 2. 956 1. 00 0. 00 ATOM 2130 CA TYR 221 23. ,425 0. ,359 1. 315 1. ,00 10. ,18 ATOM 2131 CB TYR 221 22. 866 -0. 930 0. 735 1. 00 10. 07 ATOM 2132 CG TYR 221 23. 293 -2. 194 1. 445 1. 00 7. 80 ATOM 2133 CDl TYR 221 22. 523 -2. 686 2. 492 1. 00 12. 85 ATOM 2134 CEI TYR 221 22. 859 -3. 901 3. 088 1. 00 17. 08 ATOM 2135 CD2 TYR 221 24. 411 -2. 891 1. 000 1. 00 9. 44 ATOM 2136 CE2 TYR 221 24. 755 -4. 104 1. 596 1. 00 18. 12 ATOM 2137 CZ TYR 221 23. 969 -4. 609 2. 635 1. 00 18. 06 ATOM 2138 OH TYR 221 24. 244 -5. 857 3. 182 1. 00 27. 12 283 ATOM 2139 HH TYR 221 24.730 -5.725 4.011 1.00 0.00 ATOM 2140 C TYR 221 22 .930 1 .477 0 .439 1 .00 9 .37 ATOM 2141 O TYR 221 21 .825 2 .001 0 .636 1 .00 8 .55 ATOM 2142 N CYS 222 23 .749 1 .842 -0 .528 1 .00 10 .43 ATOM 2143 H CYS 222 24 .666 1 .495 -0 .600 1 .00 0 .00 ATOM 2144 CA CYS 222 23 .333 2 .838 -1 .489 1 .00 13 .36 ATOM 2145 CB CYS 222 23 .355 4 .241 -0 .865 .00 8 .71 ATOM 2146 SG CYS 222 24 .969 4 .951 -0 .501 1 .00 10 .62 ATOM 2147 C CYS 222 24 .254 2 .809 -2 .697 1 .00 13 .50 ATOM 2148 0 CYS 222 25, .380 2 .292 -2 .653 1, .00 14 .26 ATOM 2149 N ILE 223 23, .725 3, .267 -3. .824 1. .00 16. .58 ATOM 2150 H ILE 223 22, .785 3, .537 -3. .825 1. .00 0. .00 ATOM 2151 CA ILE 223 24, .519 3, .485 -5 .026 1. .00 17, .67 ATOM 2152 CB ILE 223 23, .572 3, .587 -6 .273 1. .00 21, .79 ATOM 2153 CG2 ILE 223 24, .356 3. .926 -7 .550 1. .00 19. .55 ATOM 2154 CGI ILE 223 22. .849 2. .257 -6, .436 1. .00 20. .47 ATOM 2155 CD ILE 223 21. .823 2. .181 -7, .581 1. .00 25. .28 ATOM 2156 C ILE 223 25. .198 4. .818 -4. .710 1. .00 15. .39 ATOM 2157 O ILE 223 24. .544 5. .635 -4. .036 1. 00 13. ,54 ATOM 2158 N PRO 224 26. .451 5. .139 -5. .094 1. 00 16. .61 ATOM 2159 CD PRO 224 27. .410 4. .262 -5. .761 1. 00 11. .44 ATOM 2160 CA PRO 224 27. .092 6. .417 -4. .799 1. ,00 19. .91 ATOM 2161 CB PRO 224 28. .376 6. .383 -5. .626 1. ,00 19. .31 ATOM 2162 CG PRO 224 28. .751 4. .926 -5. .508 1. ,00 17. .17 ATOM 2163 C PRO 224 26. .176 7. .590 -5. .112 1. ,00 22. .71 ATOM 2164 O PRO 224 25. .757 7. .771 -6. .260 1. ,00 25. .97 ATOM 2165 N GLU 225 25. .830 8. .255 -3. .999 1. ,00 22. .58 ATOM 2166 H GLU 225 26. .153 7. ,878 -3. ,160 1. 00 0. .00 ATOM 2167 CA GLU 225 24. .988 9. ,443 -3. .895 1. 00 19. .95 ATOM 2168 CB GLU 225 25. .333 10. ,437 -5. .051 1. 00 28. .14 ATOM 2169 CG GLU 225 26. .809 10. ,930 -5. .182 1. 00 38. .98 ATOM 2170 CD GLU 225 27. .461 10. .929 -6. .588 1. 00 44. .42 ATOM 2171 OEI GLU 225 26. .803 11. .226 -7. .594 1. .00 38. .07 ATOM 2172 OE2 GLU 225 28. .656 10. .618 -6. .678 1. .00 48. .45 ATOM 2173 C GLU 225 23. .490 9. .114 -3. .902 1. .00 14. .73 ATOM 2174 O GLU 225 22. .657 10. .016 -4. .033 1. ,00 13. .50 ATOM 2175 N GLY 226 23. .089 7. .859 -3. .659 1. ,00 10. .41 ATOM 2176 H GLY 226 23. .732 7. ,202 -3. .336 1. 00 0. .00 ATOM 2177 CA GLY 226 21. .697 7. ,463 -3. .776 1. 00 7. .22 284 WO97/08300 PPCCTT/US96/13918 ATOM 2178 C GLY 226 20.986 7.289 -2.455 1.00 8.63 ATOM 2179 O GLY 226 21.524 7.576 -1.378 1.00 14.32 ATOM 2180 N THR 227 19.735 6.849 -2.535 1.00 10.35 ATOM 2181 H THR 227 19.304 6.740 -3.409 1.00 0.00 ATOM 2182 CA THR 227 18.909 6.566 -1.373 1.00 7.32 ATOM 2183 CB THR 227 17.544 6.211 -1.937 1.00 3.12 ATOM 2184 OG1 THR 227 17.248 7.345 -2.725 1.00 12.83 ATOM 2185 HG1 THR 227 16.969 8.067 -2.140 1.00 0.00 ATOM 2186 CG2 THR 227 16.382 6.076 -0.988 1.00 2.69 ATOM 2187 C THR 227 19.563 5.440 -0.562 1.00 8.27 ATOM 2188 O THR 227 20.207 4.542 -1.117 1.00 8.17 ATOM 2189 N LYS 228 19.465 5.533 0.758 1.00 9.07 ATOM 2190 H LYS 228 18.953 6.274 1.161 1.00 0.00 ATOM 2191 CA LYS 228 20.027 4.523 1.630 1.00 10.14 ATOM 2192 CB LYS 228 20.479 5.067 2.971 1.00 15.14 ATOM 2193 CG LYS 228 21.337 6.290 3.029 1.00 19.45 ATOM 2194 CD LYS 228 22.464 6.201 2.058 1.00 21.10 ATOM 2195 CE LYS 228 23.498 7.216 2.476 1.00 29.17 ATOM 2196 NZ LYS 228 24.485 6.542 3.294 1.00 35.96 ATOM 2197 HZ1 LYS 228 25.167 7.233 3.663 1.00 0.00 ATOM 2198 HZ2 LYS 228 24.987 5.841 2.712 1.00 0.00 ATOM 2199 HZ3 LYS 228 24.014 6.058 4.086 1.00 0.00 ATOM 2200 C LYS 228 18.945 3.509 1.947 1.00 8.99 ATOM 2201 O LYS 228 17.772 3.879 2.070 1.00 2.97 ATOM 2202 N PHE 229 19.335 2.239 2.074 1.00 7.55 ATOM 2203 H PHE 229 20.283 2.022 1.957 1.00 0.00 ATOM 2204 CA PHE 229 18.434 1.143 2.403 1.00 7.13 ATOM 2205 CB PHE 229 18.161 0.236 1.202 1.00 7.86 ATOM 2206 CG PHE 229 17.602 1.035 0.047 1.00 2.00 ATOM 2207 CDl PHE 229 18.451 1.524 -0.944 1.00 8.70 ATOM 2208 CD2 PHE 229 16.255 1.330 0.001 1.00 4.73 ATOM 2209 CEI PHE 229 17.948 2.314 -1.976 1.00 4.18 ATOM 2210 CE2 PHE 229 15.758 2.122 -1.033 1.00 4.26 ATOM 2211 CZ PHE 229 16.599 2.612 -2.016 1.00 2.00 ATOM 2212 C PHE 229 19.133 0.306 3.455 1.00 9.26 ATOM 2213 O PHE 229 20.356 0.321 3.597 1.00 8.05 ATOM 2214 N ASP 230 18.393 -0.461 4.215 1.00 9.93 ATOM 2215 H ASP 230 17.419 -0.468 4.097 1.00 0.00 ATOM 2216 CA ASP 230 19.041 -1.318 5.183 1.00 11.63 285 - ATOM 2217 CB ASP 230 18.125 -1.490 6.382 1.00 7.41 ATOM 2218 CG ASP 230 18 .175 -0 .350 7 .397 1 .00 10 .95 ATOM 2219 ODI ASP 230 19 .033 0 .524 7 .281 1 .00 10 .94 ATOM 2220 OD2 ASP 230 17 .358 -0 .353 8 .326 1 .00 12, .05 ATOM 2221 C ASP 230 19 .424 -2 .679 4 .643 1 .00 12 .18 ATOM 2222 O ASP 230 20 .264 -3 .360 5 .220 1 .00 15 .45 ATOM 2223 N THR 231 18 .797 -3 .145 3 .565 1 .00 14, .62 ATOM 2224 H THR 231 18, .165 -2 .584 3 .072 1, .00 0. .00 ATOM 2225 CA THR 231 19, .108 -4, .445 3, .000 1, .00 11. .96 ATOM 2226 CB THR 231 17, .962 -5, .429 3 .266 1, .00 6. .38 ATOM 2227 OG1 THR 231 16, .791 -4, .882 2, .696 1. ,00 8. .91 ATOM 2228 HG1 THR 231 16, .387 -4, .307 3, .370 1. .00 0. .00 ATOM 2229 CG2 THR 231 17. .723 -5. .654 4, .750 1. .00 8. .69 ATOM 2230 C THR 231 19. .293 -4. .277 1. .508 1. .00 9. .43 ATOM 2231 O THR 231 18. .720 -3. .348 0. .929 1. ,00 10. ,77 ATOM 2232 N LEU 232 20. .040 -5. .146 0. .840 1. .00 6. .23 ATOM 2233 H LEU 232 20. .535 -5. .828 1. .341 1. .00 0. .00 ATOM 2234 CA LEU 232 20. .134 -5. .089 -0. .598 1. .00 2. ,95 ATOM 2235 CB LEU 232 21. .146 -6. .078 -1. .084 1. .00 2. .00 ATOM 2236 CG LEU 232 22. .538 -5. .695 -1. .570 1. .00 7. ,83 ATOM 2237 CDl LEU 232 22. .670 -4. .204 -1. .804 1. .00 6. .14 ATOM 2238 CD2 LEU 232 23. .519 -6. .259 -0. .588 1. .00 5. .92 ATOM 2239 C LEU 232 18. .788 -5. .422 -1. .210 1. .00 3. .62 ATOM 2240 O LEU 232 18. .446 -4. .879 -2. .256 1. .00 11. .85 ATOM 2241 N TRP 233 17. .959 -6. .266 -0. .590 1. ,00 7. .60 ATOM 2242 H TRP 233 18. ,236 -6. ,662 0. ,263 1. ,00 0. ,00 ATOM 2243 CA TRP 233 16. .650 -6. .611 -1. .119 1. .00 3. .89 ATOM 2244 CB TRP 233 15. .903 -7. .634 -0. .232 1. .00 5. .05 ATOM 2245 CG TRP 233 14. .559 -8. .122 -0. .793 1. .00 3. .68 ATOM 2246 CD2 TRP 233 13. .319 -7. .504 -0. .707 1. .00 7. .30 ATOM 2247 CE2 TRP 233 12. .516 -8. .393 -1. .406 1. .00 2. .00 ATOM 2248 CE3 TRP 233 12. .743 -6. .346 -0. .161 1. .00 5. .75 ATOM 2249 CDl TRP 233 14. .503 -9. .298 -1. .485 1. .00 2, .00 ATOM 2250 NEI TRP 233 13. .249 -9. .419 -1. .834 1. .00 2. .00 ATOM 2251 HEI TRP 233 12. .886 -10. .159 -2. .387 1. .00 0, .00 ATOM 2252 CZ2 TRP 233 11. .156 -8. .154 -1. .566 1. .00 5, .63 ATOM 2253 CZ3 TRP 233 11. .386 -6. .098 -0. .314 1. .00 2, .00 ATOM 2254 CH2 TRP 233 10. .597 -7. .001 -1, .012 1, .00 11, .94 ATOM 2255 C TRP 233 15. .776 -5, .389 -1, .218 1, .00 8 .61 - 286 - ATOM 2256 O TRP 233 15.050 -5.243 -2.208 1.00 5.31 ATOM 2257 N GLN 234 15.757 -4.569 -0.160 1.00 7 .54 ATOM 2258 H GLN 234 16.278 -4.789 0.645 1.00 0 .00 ATOM 2259 CA GLN 234 14.936 -3.379 -0.181 1.00 5 .71 ATOM 2260 CB GLN 234 14.898 -2.731 1.182 1.00 8 .39 ATOM 2261 CG GLN 234 13.956 -3.432 2.121 1.00 10 .31 ATOM 2262 CD GLN 234 14.065 -2.931 3.557 1.00 11 .00 ATOM 2263 OEI GLN 234 15.131 -3.022 4.161 1.00 6 .43 ATOM 2264 NE2 GLN 234 13.010 -2.409 4.171 1.00 6 .16 ATOM 2265 HE21 GLN 234 12.163 -2.384 3.672 1.00 0 .00 ATOM 2266 HE22 GLN 234 13.119 -2.107 5.091 1.00 0 .00 ATOM 2267 C GLN 234 15.479 -2.388 -1.194 1.00 3 .99 ATOM 2268 0 GLN 234 14.693 -1.634 -1.757 1.00 8 .14 ATOM 2269 N LEU 235 16.775 -2.345 -1.489 1.00 5, .43 ATOM 2270 H LEU 235 17.407 -2.893 -0.976 1.00 0, .00 ATOM 2271 CA LEU 235 17.285 -1.460 -2.527 1.00 8. .35 ATOM 2272 CB LEU 235 18.831 -1.563 -2.577 1.00 2, .00 ATOM 2273 CG LEU 235 19.649 -0.729 -3.596 1.00 2. .00 ATOM 2274 CDl LEU 235 20.947 -0.300 -2.980 1.00 2. .00 ATOM 2275 CD2 LEU 235 20.012 -1.545 -4.817 1.00 4. .96 ATOM 2276 C LEU 235 16.659 -1.826 -3.873 1.00 12. .15 ATOM 2277 O LEU 235 16.060 -0.967 -4.545 1.00 13. .16 ATOM 2278 N VAL 236 16.710 -3.120 -4.220 1.00 9. .84 ATOM 2279 H VAL 236 17.132 -3.757 -3.603 1.00 0. ,00 ATOM 2280 CA VAL 236 16.185 -3.580 -5.494 1.00 9. .17 ATOM 2281 CB VAL 236 16.477 -5.079 -5.682 1.00 8. ,00 ATOM 2282 CGI VAL 236 15.742 -5.655 -6.880 1.00 9. ,58 ATOM 2283 CG2 VAL 236 17.968 -5.216 -5.949 1.00 3. ,72 ATOM 2284 C VAL 236 14.707 -3.320 -5.616 1.00 9. 31 ATOM 2285 O VAL 236 14.278 -2.681 -6.586 1.00 17. 05 ATOM 2286 N GLU 237 13.942 -3.715 -4.602 1.00 7. ,98 ATOM 2287 H GLU 237 14.359 -4.221 -3.874 1.00 0. ,00 ATOM 2288 CA GLU 237 12.507 -3.526 -4.598 1.00 5. ,37 ATOM 2289 CB GLU 237 11.923 -4.003 -3.284 1.00 4. ,42 ATOM 2290 CG GLU 237 10.399 -4.242 -3.284 1.00 9. 65 ATOM 2291 CD GLU 237 9.844 -5.417 -4.113 1.00 13. 56 ATOM 2292 OEI GLU 237 8.630 -5.457 -4.307 1.00 22. 81 ATOM 2293 OE2 GLU 237 10.589 -6.290 -4.562 1.00 14. 84 ATOM 2294 C GLU 237 12.079 -2.091 -4.814 1.00 8. 52 287 ATOM 2295 O GLU 237 11.084 -1.831 -5.485 1.00 11.94 ATOM 2296 N TYR 238 12 .844 -1 .118 -4 .334 1 .00 9 .87 ATOM 2297 H TYR 238 13 .719 -1 .342 -3 .953 1 .00 0 .00 ATOM 2298 CA TYR 238 12 .449 0 .269 -4 .405 1 .00 8 .12 ATOM 2299 CB TYR 238 13 .315 1 .018 -3 .400 1 .00 12 .67 ATOM 2300 CG TYR 238 12 .969 2 .471 -3. .148 1, .00 12, .96 ATOM 2301 CDl TYR 238 12, .065 2, .796 -2, .126 1, .00 6, .34 ATOM 2302 CEI TYR 238 11 .766 4 .141 -1 .884 1, .00 8 .90 ATOM 2303 CD2 TYR 238 13, .576 3, .482 -3 .925 1, .00 12, .47 ATOM 2304 CE2 TYR 238 13, .277 4, .823 -3, .672 1. .00 7, .42 ATOM 2305 CZ TYR 238 12. .380 5. .142 -2, .656 1. .00 8. .04 ATOM 2306 OH TYR 238 12, .118 6, .469 -2, .398 1. .00 10. .73 ATOM 2307 HH TYR 238 11. .600 6. .534 -1. .589 1. .00 0. .00 ATOM 2308 C TYR 238 12, .658 0. .760 -5. .827 1. .00 10. .55 ATOM 2309 O TYR 238 11. .825 1. .506 -6. .348 1. .00 9. .33 ATOM 2310 N LEU 239 13. .764 0. .323 -6. .443 1. .00 12. .05 ATOM 2311 H LEU 239 14. .358 -0. .294 -5. .962 1. .00 0. .00 ATOM 2312 CA LEU 239 14. .169 ' 0. .725 -7. .784 1. .00 10. .14 ATOM 2313 CB LEU 239 15. .631 0. .379 -8. .015 1. .00 11. .39 ATOM 2314 CG LEU 239 16. .612 1. .015 -7. .051 1. ,00 9. .45 ATOM 2315 CDl LEU 239 18. .003 0. .616 -7. .428 1. ,00 4. .78 ATOM 2316 CD2 LEU 239 16. .458 2. .515 -7. .075 1. .00 11. .26 ATOM 2317 C LEU 239 13. .357 0. .078 -8. .873 1. .00 9. .57 ATOM 2318 O LEU 239 13. .533 0. .339 -10. .054 1. .00 9, .15 ATOM 2319 N LYS 240 12. .525 -0. .867 -8. .476 1. ,00 15. .55 ATOM 2320 H LYS 240 12. .628 -1. .226 -7. .572 1. .00 0, .00 ATOM 2321 CA LYS 240 11. .598 -1. .526 -9. .359 1. .00 17, .48 ATOM 2322 CB LYS 240 11. .086 -2. .846 -8. .804 1. .00 17, .46 ATOM 2323 CG LYS 240 12. .080 -3. .968 -8. .744 1. .00 15, .22 ATOM 2324 CD LYS 240 11. .241 -5. .061 -8. .143 1. .00 14, .34 ATOM 2325 CE LYS 240 12. .104 -6, .285 -7, .941 1. .00 18, .77 ATOM 2326 NZ LYS 240 11. .320 -7. .303 -7, .288 1. .00 14, .93 ATOM 2327 HZ1 LYS 240 10. .510 -7, .562 -7, .887 1. .00 0 .00 ATOM 2328 HZ2 LYS 240 10, .971 -6. .935 -6. .381 1. .00 0 .00 ATOM 2329 HZ3 LYS 240 11 .912 -8 .142 -7 .119 1, .00 0 .00 ATOM 2330 C LYS 240 10 .393 -0 .647 -9 .532 1, .00 21 .00 ATOM 2331 O LYS 240 9 .710 -0 .714 -10, .561 1. .00 24 .63 ATOM 2332 N LEU 241 10, .121 0, .155 -8, .496 1, .00 22 .22 ATOM 2333 H LEU 241 10 .722 0, .171 -7 .725 1, .00 0 .00 288 - WO97/08300 F P » cCτT/. US96/13918 ATOM 2334 CA LEU 241 8.936 0 .992 -8 .503 1 .00 21 .50 ATOM 2335 CB LEU 241 8.312 0 .984 -7 .111 1 .00 22 .84 ATOM 2336 CG LEU 241 8.099 -0 .392 -6 .506 1 .00 25 .03 ATOM 2337 CDl LEU 241 7.695 -0 .270 -5 .047 1 .00 28 .03 ATOM 2338 CD2 LEU 241 7.086 -1 .136 -7 .365 1 .00 27 .90 ATOM 2339 C LEU 241 9.240 2 .402 -8 .922 1 .00 20 .05 ATOM 2340 O LEU 241 8.443 2 .970 -9 .660 1 .00 27 .60 ATOM 2341 N LYS 242 10.365 2 .968 -8 .472 1 .00 18 .36 ATOM 2342 H LYS 242 11.030 2 .419 -8 .002 1 .00 0 .00 ATOM 2343 CA LYS 242 10.736 4 .355 -8 .708 1 .00 18 .26 ATOM 2344 CB LYS 242 10.562 5 .193 -7 .429 1, .00 19, .41 ATOM 2345 CG LYS 242 9.096 5, .447 -7 .114 1, .00 17, .62 ATOM 2346 CD LYS 242 8.908 6, .480 -6. .033 1. .00 14. .02 ATOM 2347 CE LYS 242 9.326 5, .989 -4. .671 1, .00 10, .78 ATOM 2348 NZ LYS 242 8.973 6, .952 -3 .638 1, .00 12, .29 ATOM 2349 HZ1 LYS 242 7.964 7, .198 -3. .716 1, .00 0, .00 ATOM 2350 HZ2 LYS 242 9.549 7. .808 -3. .757 1. .00 0. .00 ATOM 2351 HZ3 LYS 242 9.156 6. .528 -2. .709 1. .00 0. .00 ATOM 2352 C LYS 242 12.192 4. .371 -9. .123 1. .00 18. .38 ATOM 2353 O LYS 242 13.044 3. .948 -8. .340 1. .00 23. .83 ATOM 2354 N ALA 243 12.492 4. .869 -10. .327 1. .00 18. .80 ATOM 2355 H ALA 243 11.770 5. .267 -10. .850 1. .00 0. .00 ATOM 2356 CA ALA 243 13.841 4. .812 -10. .887 1. .00 19. .06 ATOM 2357 CB ALA 243 13.949 5. .553 -12. .237 1. ,00 15. .73 ATOM 2358 C ALA 243 14.883 5. .412 -9. .975 1. ,00 16. .76 ATOM 2359 O ALA 243 16.030 4. ,971 -10. .012 1. ,00 16. ,14 ATOM 2360 N ASP 244 14.528 6. .456 -9. .214 1. ,00 13. .41 ATOM 2361 H ASP 244 13.631 6. .846 -9. .318 1. ,00 0. .00 ATOM 2362 CA ASP 244 15.399 7. .026 -8. .202 1. ,00 14. .59 ATOM 2363 CB ASP 244 15.314 6. .027 -7. ,034 1. 00 18. .56 ATOM 2364 CG ASP 244 15.807 6. .513 -5. ,697 1. ,00 15. ,45 ATOM 2365 ODI ASP 244 15.432 7. 607 -5. ,302 1. 00 14. ,61 ATOM 2366 OD2 ASP 244 16.551 5. 779 -5. 058 1. 00 15. ,49 ATOM 2367 C ASP 244 16.834 7. ,347 -8. ,637 1. ,00 14. ,32 ATOM 2368 O ASP 244 17.841 7. 119 -7. ,947 1. 00 17. ,05 ATOM 2369 N GLY 245 16.948 7. 902 -9. 840 1. 00 17. ,98 ATOM 2370 H GLY 245 16.134 8. 056 -10. 361 1. 00 0. .00 ATOM 2371 CA GLY 245 18.239 8. 279 -10. 368 1. 00 10. ,81 ATOM 2372 C GLY 245 18.811 7. 304 -11. 369 1. 00 11. 69 289 ATOM 2373 O GLY 245 19.760 7.670 -12.059 1.00 14.24 ATOM 2374 N LEU 246 18 .279 6 .091 -11 .484 1 .00 15 .09 ATOM 2375 H LEU 246 17 .538 5 .845 -10 .890 1 .00 0 .00 ATOM 2376 CA LEU 246 18 .736 5 .089 -12 .451 1 .00 16 .67 ATOM 2377 CB LEU 246 18 .123 3 .729 -12 .247 1 .00 12 .64 ATOM 2378 CG LEU 246 18 .387 2 .880 -11 .055 1 .00 12 .13 ATOM 2379 CDl LEU 246 17 .581 1 .601 -11 .239 1 .00 16 .26 ATOM 2380 CD2 LEU 246 19 .866 2 .604 -10 .896 1 .00 7 .94 ATOM 2381 C LEU 246 18 .322 5 .465 -13. .861 1 .00 17. .17 ATOM 2382 O LEU 246 17 .378 6 .237 -14 .033 1, .00 16, .84 ATOM 2383 N ILE 247 19, .004 4 .899 -14, .859 1, .00 18, .24 ATOM 2384 H ILE 247 19, .848 4 .448 -14, .647 1, .00 0. .00 ATOM 2385 CA ILE 247 18, .640 5, .084 -16, .243 1. .00 19. .23 ATOM 2386 CB ILE 247 19, .743 4, .443 -17. .166 1. .00 21. .02 ATOM 2387 CG2 ILE 247 19, .762 2. .933 -17. .037 1. .00 18. .75 ATOM 2388 CGI ILE 247 19. .461 4, .744 -18. .623 1. .00 18. .10 ATOM 2389 CD ILE 247 19. .246 6. .228 -18. .940 1. .00 26. .97 ATOM 2390 C ILE 247 17. .267 4, .479 -16. .501 1. .00 24. .15 ATOM 2391 O ILE 247 16. .548 4. .963 -17. .381 1. .00 27. .80 ATOM 2392 N TYR 248 16. .839 3. .453 -15. .764 1. .00 22. .21 ATOM 2393 H TYR 248 17. .362 3. .113 -15. .008 1. .00 0. .00 ATOM 2394 CA TYR 248 15. .562 2. .810 -16. .014 1. ,00 21. .62 ATOM 2395 CB TYR 248 15. .690 1. .863 -17. .222 1. ,00 21. .58 ATOM 2396 CG TYR 248 14. .358 1. .459 -17. .836 1. ,00 22. .46 ATOM 2397 CDl TYR 248 13. .932 0. .136 -17. .768 1. ,00 25. ,31 ATOM 2398 CEI TYR 248 12. .710 -0. .232 -18. .321 1. ,00 25. ,82 ATOM 2399 CD2 TYR 248 13. ,564 2. .420 -18. .464 1. ,00 24. ,69 ATOM 2400 CE2 TYR 248 12. .343 2. .057 -19. ,030 1. .00 20. .76 ATOM 2401 CZ TYR 248 11. .926 0. .733 -18. .952 1. ,00 22. .54 ATOM 2402 OH TYR 248 10. .723 0. ,368 -19. .518 1. ,00 26. .05 ATOM 2403 HH TYR 248 10. .182 1. .145 -19. .684 1. .00 0. .00 ATOM 2404 C TYR 248 15. .197 2. .013 -14. .771 1. .00 20. .39 ATOM 2405 O TYR 248 16. .116 1. .543 -14. .091 1. .00 21. .20 ATOM 2406 N CYS 249 13. .897 1. .885 -14. .469 1. .00 16. .84 ATOM 2407 H CYS 249 13. .238 2. .385 -14. .998 1. .00 0. .00 ATOM 2408 CA CYS 249 13. .422 1. .032 -13. .382 1. .00 15. .26 ATOM 2409 CB CYS 249 11. ,901 1. .106 -13. .174 1. .00 14. .09 ATOM 2410 SG CYS 249 11. .404 2. .626 -12. .300 1. .00 18. .14 ATOM 2411 C CYS 249 13. .753 -0. .412 -13. .666 1. .00 14. .21 290 ATOM 2412 0 CYS 249 13.773 -0.843 -14.823 1.00 14.52 ATOM 2413 N LEU 250 14.025 -1.151 -12.589 1.00 13.28 ATOM 2414 H LEU 250 13.948 -0.736 -11.703 1.00 0.00 ATOM 2415 CA LEU 250 14.352 -2.561 -12.686 1.00 15.78 ATOM 2416 CB LEU 250 14.919 -3.094 -11.360 1.00 6.33 ATOM 2417 CG LEU 250 16.117 -2.358 -10.789 1.00 6.54 ATOM 2418 CDl LEU 250 16.561 -3.102 -9.557 1.00 5.37 ATOM 2419 CD2 LEU 250 17.241 -2.245 -11.807 1.00 8.52 ATOM 2420 C LEU 250 13.064 -3.292 -13.029 1.00 18.36 ATOM 2421 O LEU 250 11.987. -2.905 -12.563 1.00 20.40 ATOM 2422 N LYS 251 13.147 -4.314 -13.870 1.00 21.41 ATOM 2423 H LYS 251 14.026 -4.664 -14.120 1.00 0.00 ATOM 2424 CA LYS 251 11.974 -5.035 -14.309 1.00 29.19 ATOM 2425 CB LYS 251 11.594 -4.599 -15.727 1.00 31.81 ATOM 2426 CG LYS 251 10.932 -3.252 -15.911 1.00 36.36 ATOM 2427 CD LYS 251 10.358 -3.321 -17.316 1.00 46.04 ATOM 2428 CE LYS 251 9.335 -2.219 -17.552 1.00 49.77 ATOM 2429 NZ LYS 251 8.508 -2.570 -18.689 1.00 47.05 ATOM 2430 HZ1 LYS 251 8.015 -3.461 -18.478 1.00 0.00 ATOM 2431 HZ2 LYS 251 9.095 -2.696 -19.538 1.00 0.00 ATOM 2432 HZ3 LYS 251 7.805 -1.824 -18.854 1.00 0.00 ATOM 2433 C LYS 251 12.281 -6.529 -14.273 1.00 31.19 ATOM 2434 O LYS 251 12.298 -7.107 -13.187 1.00 32.83 ATOM 2435 N GLU 252 12.577 -7.221 -15.372 1.00 29.48 ATOM 2436 H GLU 252 12.735 -6.759 -16.224 1.00 0.00 ATOM 2437 CA GLU 252 12.808 -8.649 -15.349 1.00 27.78 ATOM 2438 CB GLU 252 12.753 -9.113 -16.799 1.00 33.80 ATOM 2439 CG GLU 252 12.915 -10.598 -17.097 1.00 42.74 ATOM 2440 CD GLU 252 13.832 -10.890 -18.277 1.00 44.39 ATOM 2441 OEI GLU 252 13.632 -10.336 -19.360 1.00 48.44 ATOM 2442 OE2 GLU 252 14.760 -11.678 -18.098 1.00 45.82 ATOM 2443 C GLU 252 14.140 -9.005 -14.690 1.00 24.46 ATOM 2444 O GLU 252 15.182 -8.416 -14.990 1.00 23.91 ATOM 2445 N ALA 253 14.133 -9.980 -13.786 1.00 22.26 ATOM 2446 H ALA 253 13.277 -10.377 -13.540 1.00 0.00 ATOM 2447 CA ALA 253 15.354 -10.499 -13.186 1.00 23.18 ATOM 2448 CB ALA 253 15.051 -11.274 -11.919 1.00 20.69 ATOM 2449 C ALA 253 16.032 -11.469 -14.153 1.00 25.29 ATOM 2450 O ALA 253 15.406 -12.393 -14.672 1.00 25.19 - 291 ATOM 2451 N CYS 254 17.302 -11.290 -14.458 1.00 28.10 ATOM 2452 H CYS 254 17 .789 -10 .541 -14 .055 1 .00 0 .00 ATOM 2453 CA CYS 254 18 .009 -12 .221 -15 .306 1 .00 32 .61 ATOM 2454 CB CYS 254 19 .237 -11 .516 -15 .870 1 .00 31 .75 ATOM 2455 SG CYS 254 20 .443 -12 .611 -16 .651 1 .00 32 .44 ATOM 2456 C CYS 254 18 .385 -13 .402 -14 .414 1 .00 36 .58 ATOM 2457 0 CYS 254 19 .302 -13 .243 -13 .604 1 .00 32 .66 ATOM 2458 N PRO 255 17 .736 -14 .582 -14 .469 1. .00 42 .06 ATOM 2459 CD PRO 255 16, .816 -15, .010 -15 .511 1 .00 44, .90 ATOM 2460 CA PRO 255 17, .881 -15, .667 -13 .508 1. .00 46, .64 ATOM 2461 CB PRO 255 16. .693 -16, .572 -13, .752 1, .00 45, .44 ATOM 2462 CG PRO 255 15. .803 -15, .772 -14, .666 1, .00 45. .18 ATOM 2463 C PRO 255 19. .209 -16. .379 -13, .699 1. .00 52. .71 ATOM 2464 O PRO 255 19. .967 -16. .514 -12. .736 1. .00 51. .83 ATOM 2465 N ASN 256 19. .423 -16. .849 -14. .938 1. .00 57. .99 ATOM 2466 H ASN 256 18. .668 -16. .918 -15. .559 1. .00 0. .00 ATOM 2467 CA ASN 256 20. .623 -17. .469 -15. .488 1. .00 62. .54 ATOM 2468 CB ASN 256 21. .441 -18. .299 -14. .490 1. .00 65. .25 ATOM 2469 CG ASN 256 22. .929 -18. .083 -14. .712 1. .00 66. ,81 ATOM 2470 ODI ASN 256 23. .634 -17. .431 -13. .921 1. .00 67. .18 ATOM 2471 ND2 ASN 256 23. .440 -18. .585 -15. .825 1. .00 67. ,62 ATOM 2472 HD21 ASN 256 22. .782 -18. .992 -16. .444 1. .00 0. .00 ATOM 2473 HD22 ASN 256 24. .395 -18. .528 -15. .990 1. .00 0. .00 ATOM 2474 C ASN 256 20. .177 -18. .438 -16. .589 1. ,00 64. .50 ATOM 2475 O ASN 256 20. .971 -18. .719 -17. .481 1. ,00 67. ,70 ATOM 2476 OT ASN 256 19. .021 -18. ,861 -16. .603 1. ,00 65. ,26 ATOM 2477 CB ASN 301 36. .860 -2. ,320 -19. .345 1. ,00 69. ,57 ATOM 2478 CG ASN 301 36. .797 -2. ,379 -20. .870 1. ,00 73. .37 ATOM 2479 ODI ASN 301 35. .914 -1. ,729 -21. .445 1. ,00 74. .19 ATOM 2480 ND2 ASN 301 37. .648 -3. ,095 -21. .595 1. ,00 71. .92 ATOM 2481 HD21 ASN 301 38. .347 -3. .615 -21. .146 1. .00 0. .00 ATOM 2482 HD22 ASN 301 37. .539 -3. .068 -22. .570 1. .00 0. .00 ATOM 2483 C ASN 301 35. .546 -1. .915 -17. .229 1. .00 62, .96 ATOM 2484 O ASN 301 35. .538 -2. .834 -16, .427 1. .00 64. .29 ATOM 2485 HT1 ASN 301 35. .437 -0. .113 -19, .057 1. .00 0, .00 ATOM 2486 HT2 ASN 301 33. .944 -0. .750 -18. .698 1. .00 0, .00 ATOM 2487 N ASN 301 34. .823 -0, .927 -19. .230 1. .00 62, .99 ATOM 2488 HT3 ASN 301 34. .663 -1. .030 -20. .256 1. .00 0, .00 ATOM 2489 CA ASN 301 35. .463 -2, .137 -18. .724 1, .00 65, .07 - 292 - ATOM 2490 N GLN 302 35.788 -0.672 -16.851 1.00 60.20 ATOM 2491 H GLN 302 36 .395 -0 .113 -17 .375 1 .00 0 .00 ATOM 2492 CA . GLN 302 35 .444 -0 .176 -15 .522 1 .00 56 .74 ATOM 2493 CB GLN 302 36 .677 0 .491 -14 .883 1 .00 57 .90 ATOM 2494 CG GLN 302 37 .907 -0 .432 -14 .691 1 .00 63 .47 ATOM 2495 CD GLN 302 38 .599 -1 .034 -15 .937 1 .00 65 .28 ATOM 2496 OEI GLN 302 38 .352 -0 .683 -17 .103 1 .00 66 .79 ATOM 2497 NE2 GLN 302 39 .485 -2 .004 -15 .770 1 .00 65 .62 ATOM 2498 HE21 GLN 302 39 .677 -2 .304 -14 .860 1 .00 0 .00 ATOM 2499 HE22 GLN 302 39 .918 -2 .371 -16 .565 1 .00 0 .00 ATOM 2500 C GLN 302 34 .360 0 .845 -15 .961 1 .00 52 .62 ATOM 2501 O GLN 302 33 .831 0 .670 -17 .088 1 .00 54 .45 ATOM 2502 N LEU 303 34 .058 1 .917 -15 .204 1, .00 44, .49 ATOM 2503 H LEU 303 34, .536 2, .006 -14 .354 1, .00 0, .00 ATOM 2504 CA LEU 303 33, .028 2, .927 -15. .484 1. .00 34, .84 ATOM 2505 CB LEU 303 32, .932 3, .417 -16 .940 1. .00 31, .82 ATOM 2506 CG LEU 303 33, .369 4, .825 -17, .292 1. .00 30. .98 ATOM 2507 CDl LEU 303 34. .886 4, .916 -17. .295 1. .00 31. .39 ATOM 2508 CD2 LEU 303 32. .860 5. .183 -18. .676 1. .00 32. .60 ATOM 2509 C LEU 303 31. .624 2. .471 -15. .160 1. .00 31. .46 ATOM 2510 O LEU 303 30. .919 1. .703 -15. .820 1. .00 30. .32 ATOM 2511 N PTY 304 31. .253 2. .987 -14. .015 1. .00 29. .09 ATOM 2512 H PTY 304 31. .821 3. .642 -13. .563 1. .00 0. .00 ATOM 2513 CA PTY 304 29. .936 2. .775 -13. .481 1. .00 25. ,08 ATOM 2514 CB PTY 304 30. ,043 2. ,545 -11. .983 1. 00 22. ,52 ATOM 2515 CG PTY 304 30. 722 1. ,239 -11. ,678 1. 00 20. 76 ATOM 2516 CDl PTY 304 29. ,995 0. ,026 -11. .631 1. ,00 19. ,61 ATOM 2517 CEI PTY 304 30. ,618 -1. .204 -11. .387 1. 00 18. ,55 ATOM 2518 CD2 PTY 304 32. 114 1. .170 -11. .468 1. 00 23. ,88 ATOM 2519 CE2 PTY 304 32. 746 -0. 058 -11. ,223 1. 00 28. 36 ATOM 2520 CZ PTY 304 32. 004 -1. 261 -11. ,185 1. 00 23. 76 ATOM 2521 OH PTY 304 32. 693 -2. 423 -10. ,923 1. 00 28. 36 ATOM 2522 ORI PTY 304 32. 971 -4. 897 -11. ,058 1. 00 28. 97 ATOM 2523 OR2 PTY 304 34. 118 -3. 534 -12. 638 1. 00 33. 20 ATOM 2524 OR3 PTY 304 31. 717 -3. 857 -12. 879 1. 00 30. 35 ATOM 2525 PR PTY 304 32. 822 -3. 701 -11. 913 1. 00 29. 14 ATOM 2526 C PTY 304 29. 189 4. 049 -13. 805 1. 00 24. 98 ATOM 2527 O PTY 304 29. 765 5. 121 -14. 023 1. 00 32. 82 ATOM 2528 N ASN 305 27. 890 3. 929 -13. 870 1. 00 23. 83 - 293 ATOM 2529 H ASN 305 27.489 3.081 -13.594 1.00 0.00 ATOM 2530 CA ASN 305 27 .030 5 .042 -14 .190 1 .00 24 .41 ATOM 2531 CB ASN 305 25 .758 4 .572 -14 .824 1 .00 26 .42 ATOM 2532 CG ASN 305 25 .898 3 .944 -16 .184 1 .00 24 .24 ATOM 2533 ODI ASN 305 25 .035 4 .171 -17 .007 1 .00 33 .32 ATOM 2534 ND2 ASN 305 26 .883 3 .141 -16 .534 1 .00 27 .31 ATOM 2535 HD21 ASN 305 27 .568 2 .878 -15 .888 1 .00 0 .00 ATOM 2536 HD22 ASN 305 26 .910 2 .846 -17 .468 1 .00 0 .00 ATOM 2537 C ASN 305 26 .646 5 .788 -12 .931 1 .00 26 .89 ATOM 2538 O ASN 305 26, .463 5, .181 -11. .870 1. .00 26, .21 ATOM 2539 N GLU 306 26. .502 7, .098 -13. .029 1. .00 26, .87 ATOM 2540 H GLU 306 26. .619 7, .529 -13. .901 1. .00 0, .00 ATOM 2541 CA GLU 306 26. .052 7, .888 -11. .905 1. .00 29. .02 ATOM 2542 CB GLU 306 26. .708 9, .275 -11. .886 1. ,00 32. .98 ATOM 2543 CG GLU 306 26. .552 10. .101 -13. .156 1. ,00 35. .35 ATOM 2544 CD GLU 306 26. .731 11. .581 -12. .905 1. ,00 36. .20 ATOM 2545 OEI GLU 306 25. .760 12. .318 -13. .089 1. ,00 39. .79 ATOM 2546 OE2 GLU 306 27. .833 11. .985 -12. .528 1. ,00 39. .08 ATOM 2547 C GLU 306 24. .554 8. .067 -12. .017 1. ,00 26. .18 ATOM 2548 O GLU 306 23. .999 7. .923 -13. .109 1. 00 26. .43 ATOM 2549 N LEU 307 23. .926 8. .432 -10. .904 1. ,00 26. .19 ATOM 2550 H LEU 307 24. .434 8. .578 -10. .080 1. ,00 0. .00 ATOM 2551 CA LEU 307 22. .512 8. .679 -10. .915 1. ,00 26. .40 ATOM 2552 CB LEU 307 21. .819 8. .244 -9. .639 1. ,00 28. .26 ATOM 2553 CG LEU 307 22. .362 8. .248 -8. .253 1. ,00 30. .34 ATOM 2554 CDl LEU 307 21. .230 8. .042 -7. .267 1. 00 31. .01 ATOM 2555 CD2 LEU 307 23. ,357 7. .136 -8. .115 1. ,00 28. .88 ATOM 2556 C LEU 307 22. .119 10. .118 -11. .130 1. ,00 25. .17 ATOM 2557 O LEU 307 22. .824 11. .077 -10. .810 1. ,00 25. .91 ATOM 2558 N ASN 308 20. .929 10. .231 -11. .692 1. ,00 23. .16 ATOM 2559 H ASN 308 20. .474 9. .395 -11. .916 1. ,00 0. .00 ATOM 2560 CA ASN 308 20. .285 11. .497 -11. .977 1. ,00 22. .52 ATOM 2561 CB ASN 308 19. .149 11. .318 -12. .993 1. .00 22, .41 ATOM 2562 CG ASN 308 19. .569 10. .764 -14. .349 1. .00 17, .49 ATOM 2563 ODI ASN 308 20. .482 11. .269 -15. .006 1. .00 18, .25 ATOM 2564 ND2 ASN 308 18. .899 9. .712 -14. .812 1. .00 12 .44 ATOM 2565 HD21 ASN 308 18. .211 9. .290 -14. .262 1. .00 0 .00 ATOM 2566 HD22 ASN 308 19. .116 9. .403 -15. .722 1. .00 0, .00 ATOM 2567 C ASN 308 19. .714 11. .910 -10. .638 1. .00 23 .34 - 294 ATOM 2568 O ASN 308 18.580 11.582 -10.279 1.00 19.95 ATOM 2569 N LEU 309 20.511 12.640 -9.874 1.00 29.40 ATOM 2570 H LEU 309 21.402 12.862 -10.222 1.00 0.00 ATOM 2571 CA LEU 309 20.143 13.022 -8.516 1.00 31.98 ATOM 2572 CB LEU 309 21.281 13.803 -7.886 1.00 31.78 ATOM 2573 CG LEU 309 22.549 13.034 -7.551 1.00 30.04 ATOM 2574 CDl LEU 309 23.498 13.976 -6.828 1.00 32.49 ATOM 2575 CD2 LEU 309 22.233 11.839 -6.670 1.00 29.67 ATOM 2576 C LEU 309 18.857 13.811 -8.352 1.00 32.71 ATOM 2577 O LEU 309 18.184 13.676 -7.327 1.00 33.18 ATOM 2578 N GLY 310 18.453 14.571 -9.376 1.00 29.51 ATOM 2579 H GLY 310 18.976 14.564 -10.197 1.00 0.00 ATOM 2580 CA GLY 310 17.179 15.284 -9.330 1.00 27.02 ATOM 2581 C GLY 310 15.983 14.351 -9.552 1.00 26.12 ATOM 2582 O GLY 310 14.841 14.792 -9.660 1.00 24.61 ATOM 2583 N ARG 311 16.223 13.050 -9.692 1.00 26.37 ATOM 2584 H ARG 311 17.136 12.716 -9.635 1.00 0.00 ATOM 2585 CA ARG 311 15.167 12.087 -9.890 1.00 26.85 ATOM 2586 CB ARG 311 15.520 11.222 -11.115 1.00 28.37 ATOM 2587 CG ARG 311 15.337 11.959 -12.441 1.00 22.17 ATOM 2588 CD ARG 311 13.858 12.286 -12.617 1.00 20.22 ATOM 2589 NE ARG 311 13.085 11.087 -12.889 1.00 22.46 ATOM 2590 HE ARG 311 13.270 10.598 -13.718 1.00 0.00 ATOM 2591 CZ ARG 311 12.120 10.608 -12.098 1.00 30.68 ATOM 2592 NHI ARG 311 11.757 11.199 -10.944 1.00 37.34 ATOM 2593 HH11 ARG 311 12.203 12.040 -10.636 1.00 0.00 ATOM 2594 HHl2 ARG 311 11.030 10.791 -10.389 1.00 0.00 ATOM 2595 NH2 ARG 311 11.490 9.497 -12.482 1.00 24.13 ATOM 2596 HH21 ARG 311 11.739 9.048 -13.337 1.00 0.00 ATOM 2597 HH22 ARG 311 10.779 9.100 -11.899 1.00 0.00 ATOM 2598 C ARG 311 14.970 11.229 -8.650 1.00 26.76 ATOM 2599 O ARG 311 14.321 10.178 -8.704 1.00 27.21 ATOM 2600 N ARG 312 15.562 11.638 -7.528 1.00 24.91 ATOM 2601 H ARG 312 16.027 12.501 -7.525 1.00 0.00 ATOM 2602 CA ARG 312 15.398 10.960 -6.245 1.00 19.46 ATOM 2603 CB ARG 312 16.685 10.983 -5.444 1.00 18.55 ATOM 2604 CG ARG 312 17.790 10.119 -6.047 1.00 18.34 ATOM 2605 CD ARG 312 19.017 10.171 -5.167 1.00 16.42 ATOM 2606 NE ARG 312 18.651 10.046 -3.764 1.00 12.29 295 - ATOM 2607 HE ARG 312 17.873 9.507 -3.514 1.00 0.00 ATOM 2608 CZ ARG 312 19.374 10 .627 -2 .804 1 .00 18 .47 ATOM 2609 NHI ARG 312 20.476 11 .346 -3 .081 1 .00 12 .42 ATOM 2610 HH11 ARG 312 20.781 11 .451 -4 .026 1 .00 0 .00 ATOM 2611 HH12 ARG 312 20.990 11 .774 -2 .338 1 .00 0 .00 ATOM 2612 NH2 ARG 312 18.965 10 .470 -1 .542 1 .00 17 .98 ATOM 2613 HH21 ARG 312 18.143 9 .932 -1 .353 1, .00 0 .00 ATOM 2614 HH22 ARG 312 19.483 10 .878 -0 .791 1, .00 0 .00 ATOM 2615 C ARG 312 14.335 11 .688 -5 .435 1, .00 16 .16 ATOM 2616 O ARG 312 14.101 12 .879 -5 .676 1. .00 12, .19 ATOM 2617 N GLU 313 13.665 10, .995 -4 .505 1, .00 13, .42 ATOM 2618 H GLU 313 13.870 10, .047 -4 .350 1. .00 0, .00 ATOM 2619 CA GLU 313 12.720 11, .659 -3 .609 1. .00 11, .44 ATOM 2620 CB GLU 313 11.866 10, .690 -2, .822 1. .00 8, .28 ATOM 2621 CG GLU 313 10.908 9, .792 -3 .562 1. .00 12, .05 ATOM 2622 CD GLU 313 9.671 10, .432 -4, .151 1. .00 13. .52 ATOM 2623 OEI GLU 313 9.666 11. .623 -4. .445 1. ,00 17. .14 ATOM 2624 OE2 GLU 313 8.694 9. .715 -4. .345 1. ,00 12. .82 ATOM 2625 C GLU 313 13.465 12. .489 -2. .568 1. ,00 8. .47 ATOM 2626 O GLU 313 14.571 12. .145 -2. .119 1. ,00 10. .79 ATOM 2627 N GLU 314 12.855 13. .568 -2. .125 1. 00 11. .58 ATOM 2628 H GLU 314 11.943 13. .768 -2. .434 1. ,00 0. .00 ATOM 2629 CA GLU 314 13.460 14. .406 -1. .119 1. ,00 17. .11 ATOM 2630 CB GLU 314 13.182 15. .876 -1. .474 1. ,00 27. .79 ATOM 2631 CG GLU 314 14.202 16. .886 -0. .930 1. ,00 39. .55 ATOM 2632 CD GLU 314 13.586 18. .089 -0. .219 1. .00 47. .02 ATOM 2633 OEI GLU 314 13.940 18. .333 0. .940 1. 00 45. .02 ATOM 2634 OE2 GLU 314 12.756 18. .772 -0. .825 1. ,00 50, .75 ATOM 2635 C GLU 314 12.835 14. .037 0. .226 1. ,00 11. .85 ATOM 2636 O GLU 314 11.606 13. .917 0. .331 1. ,00 7, .93 ATOM 2637 N PTY 315 13.660 13. .816 1. .254 1. 00 12. .01 ATOM 2638 H PTY 315 14.628 13. .926 1. .152 1. ,00 0. .00 ATOM 2639 CA PTY 315 13.156 13. ,592 2. .607 1. ,00 12. .93 ATOM 2640 CB PTY 315 13.718 12. .317 3. .224 1. ,00 12. .89 ATOM 2641 CG PTY 315 13.105 11. .093 2. .629 1. ,00 10, .77 ATOM 2642 CDl PTY 315 11.907 10. .560 3. .135 1. .00 4, .78 ATOM 2643 CEI PTY 315 11.301 9. .445 2. .546 1. .00 10, .51 ATOM 2644 CD2 PTY 315 13.680 10. .470 1, .504 1. .00 10 .84 ATOM 2645 CE2 PTY 315 13.085 9. .361 0, .895 1. .00 11 .24 296 ATOM 2646 CZ PTY 315 11.887 8.828 1.407 1.00 12.06 ATOM 2647 OH PTY 315 11 .369 7 .695 0 .799 1 .00 10 .74 ATOM 2648 ORI PTY 315 9 .804 6 .760 -0 .809 1 .00 19 .02 ATOM 2649 OR2 PTY 315 9 .041 8 .574 0 .508 1 .00 16 .68 ATOM 2650 OR3 PTY 315 9 .423 6 .511 1 .512 1 .00 18 .31 ATOM 2651 PR PTY 315 9 .871 7 .408 0 .478 1 .00 5 .42 ATOM 2652 C PTY 315 13 .603 14 .774 3 .451 1 .00 12 .45 ATOM 2653 O PTY 315 14 .708 15 .296 3 .294 1 .00 12 .95 ATOM 2654 N ASP 316 12 .738 15 .212 4 .343 1 .00 15 .05 ATOM 2655 H ASP 316 11 .936 14 .675 4 .511 1 .00 0 .00 ATOM 2656 CA ASP 316 13 .002 16 .360 5 .173 1, .00 13 .90 ATOM 2657 CB ASP 316 11 .688 16 .931 5 .649 1 .00 16 .18 ATOM 2658 CG ASP 316 10 .975 17 .923 4 .741 1, .00 20 .73 ATOM 2659 ODI ASP 316 10 .924 17 .743 3 .529 1 .00 19, .42 ATOM 2660 OD2 ASP 316 10, .443 18 .893 5, .274 1. .00 27, .82 ATOM 2661 C ASP 316 13, .866 15, .995 6, .357 1. .00 14, .41 ATOM 2662 O ASP 316 13, .970 14 .838 6 .776 1. .00 15, .75 ATOM 2663 N VAL 317 14. .519 17 .004 6, .913 1. .00 15, .30 ATOM 2664 H VAL 317 14. .334 17, .922 6. .631 1. .00 0. .00 ATOM 2665 CA VAL 317 15. .385 16. .846 8. .073 1. .00 14. .94 ATOM 2666 CB VAL 317 16. ,858 17. .146 7. ,739 1. ,00 14. ,44 ATOM 2667 CGI VAL 317 17. .448 15. .947 7. .004 1. ,00 15. .76 ATOM 2668 CG2 VAL 317 16. .981 18. .357 6. .832 1. .00 16. .92 ATOM 2669 C VAL 317 14. .871 17. .842 9. .083 1. ,00 14. .10 ATOM 2670 O VAL 317 14. ,248 18. .845 8. .712 1. ,00 17. ,30 ATOM 2671 N LEU 318 15. .029 17. .480 10. .349 1. ,00 12. .16 ATOM 2672 H LEU 318 15. .548 16. .671 10. .535 1. ,00 0. .00 ATOM 2673 CA LEU 318 14. ,624 18. .329 11. .451 1. 00 14. .05 ATOM 2674 CB LEU 318 14. 818 17. ,637 12. ,790 1. 00 13. .29 ATOM 2675 CG LEU 318 14. 067 16. ,364 13. 069 1. 00 4. 19 ATOM 2676 CDl LEU 318 14. 669 15. ,703 14. ,270 1. 00 3. .04 ATOM 2677 CD2 LEU 318 12. 625 16. ,643 13. 287 1. 00 2. 00 ATOM 2678 C LEU 318 15. 537 19. ,537 11. 433 1. 00 16. 18 ATOM 2679 O LEU 318 16. 665 19. 398 10. 961 1. 00 13. 67 ATOM 2680 N ASP 319 15. 117 20. ,707 11. 882 1. 00 26. 49 ATOM 2681 H ASP 319 14. 247 20. 848 12. 302 1. 00 0. 00 ATOM 2682 CA ASP 319 16. 062 21. 792 11. 942 1. 00 34. 53 ATOM 2683 CB ASP 319 15. 636 22. 871 10. 880 1. 00 39. 93 ATOM 2684 CG ASP 319 14. 637 23. 977 11. 210 1. 00 46. 93 - 297 - ATOM 2685 ODI ASP 319 13.509 23.928 10.710 1.00 52.84 ATOM 2686 OD2 ASP 319 15 .003 24 .906 11 .941 1 .00 52 .04 ATOM 2687 C ASP 319 16 .064 22 .270 13 .401 1 .00 36 .49 ATOM 2688 O ASP 319 14 .996 22 .586 13 .944 1 .00 37 .04 ATOM 2689 OT ASP 319 17 .140 22 .239 14 .004 1 .00 36 .34 ATOM 2690 CB ASP 1003 43 .142 -13 .016 13 .156 1 .00 53 .93 ATOM 2691 CG ASP 1003 43 .106 -12 .430 14 .568 1 .00 55 .01 ATOM 2692 ODI ASP 1003 44 .109 -11 .869 15 .000 1. .00 54 .01 ATOM 2693 OD2 ASP 1003 42 .091 -12 .567 15 .252 1. .00 58 .11 ATOM 2694 C ASP 1003 44. .166 -11. .129 11, .729 1. .00 46, .97 ATOM 2695 O ASP 1003 45, .204 -11. .666 11, .320 1. .00 50. .37 ATOM 2696 HT1 ASP 1003 44, .012 -13. .030 10, .569 1. .00 0. .00 ATOM 2697 HT2 ASP 1003 42, .591 -12. .376 9 .952 1. .00 0. .00 ATOM 2698 N ASP 1003 42, .996 -12. .885 10, .758 1. .00 53. .96 ATOM 2699 HT3 ASP 1003 42, .524 -13. .800 10, .916 1. .00 0. .00 ATOM 2700 CA ASP 1003 42. .970 -12. .063 11, .955 1. .00 49. .69 ATOM 2701 N PRO 1004 44. .151 -9. .802 11, .904 1. .00 43. .37 ATOM 2702 CD PRO 1004 42. .945 -8. .991 12. .008 1. .00 42. .38 ATOM 2703 CA PRO 1004 45. .344 -8. .948 11. .771 1. .00 42. .64 ATOM 2704 CB PRO 1004 44. .794 -7. ,522 11. .801 1. .00 39. .86 ATOM 2705 CG PRO 1004 43. .467 -7. .643 12. .503 1. ,00 40. .49 ATOM 2706 C PRO 1004 46. .477 -9. .175 12. .780 1. ,00 41. .41 ATOM 2707 O PRO 1004 47. .559 -8. .570 12. .685 1. ,00 39. .94 ATOM 2708 N ALA 1005 46. .242 -10. .044 13. .772 1. ,00 39. .65 ATOM 2709 H ALA 1005 45. .323 -10. .276 14. .007 1. ,00 0. .00 ATOM 2710 CA ALA 1005 47. .290 -10. .440 14. .688 1. ,00 31. .86 ATOM 2711 CB ALA 1005 46. .785 -10. .334 16. .117 1. .00 30. .50 ATOM 2712 C ALA 1005 47. ,801 -11. ,850 14. .451 1. ,00 28. .13 ATOM 2713 O ALA 1005 48. .889 -12. .126 14. .931 1. ,00 27. .62 ATOM 2714 N ALA 1006 47. .227 -12. .783 13. .671 1. ,00 30. .30 ATOM 2715 H ALA 1006 46. .450 -12. ,533 13. .136 1. ,00 0. .00 ATOM 2716 CA ALA 1006 47. .757 -14. ,165 13. .610 1. ,00 29. .17 ATOM 2717 CB ALA 1006 46. .836 -15. .035 12. .767 1. ,00 31. .01 ATOM 2718 C ALA 1006 49. .186 -14. .409 13. .109 1. .00 29. .99 ATOM 2719 O ALA 1006 49. .832 -15. .435 13, .328 1. .00 30. .85 ATOM 2720 N HIS 1007 49. .713 -13. .387 12, .465 1. .00 29. .64 ATOM 2721 H HIS 1007 49, .168 -12. .584 12, .420 1. .00 0. .00 ATOM 2722 CA HIS 1007 51. .077 -13. .401 11. .952 1. .00 31. .60 ATOM 2723 CB HIS 1007 51. .162 -12. .602 10. .648 1. ,00 32. .94 298 - ATOM 2724 CG HIS 1007 50.861 -11.131 10.902 1.00 36.73 ATOM 2725 CD2 HIS 1007 49.606 -10.560 10.876 1 .00 38.63 ATOM 2726 NDI HIS 1007 51.734 -10.193 11.247 1 .00 39.17 ATOM 2727 HD1 HIS 1007 52.690 -10.342 11.446 1 .00 0.00 ATOM 2728 CEI HIS 1007 51.062 -9.078 11.434 1 .00 41.04 ATOM 2729 NE2 HIS 1007 49.789 -9.313 11.213 1 .00 40.15 ATOM 2730 HE2 HIS 1007 49.059 -8.678 11.422 1 .00 0.00 ATOM 2731 C HIS 1007 52.050 -12.781 12.946 1 .00 30.36 ATOM 2732 O HIS 1007 53.158 -12.386 12.576 1. .00 31.97 ATOM 2733 N LEU 1008 51.592 -12.480 14.151 1 .00 26.41 ATOM 2734 H LEU 1008 50.742 -12.852 14.476 1 .00 0.00 ATOM 2735 CA LEU 1008 52.427 -11.828 15.126 1, .00 24.03 ATOM 2736 CB LEU 1008 51.558 -10.849 15.911 1 .00 20.44 ATOM 2737 CG LEU 1008 51.829 -9.348 15.835 1, .00 19.01 ATOM 2738 CDl LEU 1008 52.484 -8.962 14.531 1. .00 15.31 ATOM 2739 CD2 LEU 1008 50.513 -8.620 16.018 1. .00 18.56 ATOM 2740 C LEU 1008 52.963 -12.958 15.979 1. .00 24.31 ATOM 2741 O LEU 1008 52.181 -13.829 16.350 1. .00 21.63 ATOM 2742 N PRO 1009 54.245 -13.032 16.334 1. .00 25.92 ATOM 2743 CD PRO 1009 55.280 -12.055 15.973 1. .00 29.07 ATOM 2744 CA PRO 1009 54.787 -14.159 17.084 1. .00 26.60 ATOM 2745 CB PRO 1009 56.285 -14.047 16.806 1. .00 28.94 ATOM 2746 CG PRO 1009 56.538 -12.546 16.691 1. .00 27.11 ATOM 2747 C PRO 1009 54.405 -14.163 18.566 1. .00 24.10 ATOM 2748 O PRO 1009 54.692 -15.112 19.297 1. .00 25.51 ATOM 2749 N PHE 1010 53.788 -13.089 19.060 1. .00 20.53 ATOM 2750 H PHE 1010 53.497 -12.388 18.445 1. ,00 0.00 ATOM 2751 CA PHE 1010 53.398 -12.960 20.459 1. .00 20.39 ATOM 2752 CB PHE 1010 53.950 -11.636 21.035 1. .00 19.73 ATOM 2753 CG PHE 1010 53.756 -10.406 20.161 1. ,00 16.45 ATOM 2754 CDl PHE 1010 52.546 -9.728 20.140 1. ,00 17.02 ATOM 2755 CD2 PHE 1010 54.816 -9.958 19.376 1. ,00 23.44 ATOM 2756 CEI PHE 1010 52.397 -8.599 19.332 1. ,00 21.75 ATOM 2757 CΞ2 PHE 1010 54.667 -8.827 18.567 1. ,00 21.56 ATOM 2758 CZ PHE 1010 53.456 -8.142 18.544 1. ,00 18.10 ATOM 2759 C PHE 1010 51.888 -13.006 20.636 1. 00 20.98 ATOM 2760 O PHE 1010 51.374 -12.658 21.699 1. 00 20.72 ATOM 2761 N PHE 1011 51.182 -13.399 19.565 1. ,00 15.13 ATOM 2762 H PHE 1011 51.635 -13.830 18.814 1. 00 0.00 299 ATOM 2763 CA PHE 1011 49.748 -13.457 19.564 1.00 11.64 ATOM 2764 CB PHE 1011 49 .224 -13 .105 18 .175 1 .00 9 .39 ATOM 2765 CG PHE 1011 47 .716 -13 .279 18 .066 1 .00 10 .72 ATOM 2766 CDl PHE 1011 46 .856 -12 .628 18 .960 1 .00 7 .85 ATOM 2767 CD2 PHE 1011 47 .200 -14 .136 17 .096 1 .00 9 .06 ATOM 2768 CEI PHE 1011 45 .488 -12 .846 18 .889 1 .00 4 .55 ATOM 2769 CE2 PHE 1011 45 .824 -14 .347 17 .029 1 .00 9 .37 ATOM 2770 CZ PHE 1011 44 .974 -13 .702 17 .929 1 .00 7 .19 ATOM 2771 C PHE 1011 49 .413 -14 .891 19 .933 1 .00 13, .64 ATOM 2772 O PHE 1011 49, .963 -15 .834 19, .365 1, .00 13. .56 ATOM 2773 N TYR 1012 48, .496 -15, .092 20, .870 1. .00 13. .88 ATOM 2774 H TYR 1012 48, .085 -14, .317 21. .306 1. .00 0. .00 ATOM 2775 CA TYR 1012 48, .204 -16, .427 21. .346 1. .00 14. .06 ATOM 2776 CB TYR 1012 48. .456 -16, .449 22. .842 1. .00 13. .70 ATOM 2777 CG TYR 1012 49, .930 -16, .553 23. .172 1. .00 10. .19 ATOM 2778 CDl TYR 1012 50. .738 -15, .427 23. .116 1. .00 8. .33 ATOM 2779 CEI TYR 1012 52. .086 -15, .504 23. .417 1. .00 11. .13 ATOM 2780 CD2 TYR 1012 50. .464 -17. .783 23. .531 1. .00 15. .69 ATOM 2781 CE2 TYR 1012 51. .820 -17. .871 23. .839 1. .00 18. .91 ATOM 2782 CZ TYR 1012 52. .612 -16. .728 23. .782 1. .00 17. .41 ATOM 2783 OH TYR 1012 53. .929 -16. .816 24. .155 1. .00 19. .18 ATOM 2784 HH TYR 1012 54. .334 -15. .949 23. .998 1. .00 0. ,00 ATOM 2785 C TYR 1012 46. .821 -16. .971 21. .048 1. .00 14. .86 ATOM 2786 O TYR 1012 46. .537 -18. .146 21. .309 1. .00 14. .54 ATOM 2787 N GLY 1013 45. .948 -16. .193 20. .413 1. .00 15. .74 ATOM 2788 H GLY 1013 46. .199 -15. .277 20. .194 1. .00 0. .00 ATOM 2789 CA GLY 1013 44. .602 -16. .654 20. .123 1. .00 12. .83 ATOM 2790 C GLY 1013 43. .768 -16. .522 21. .380 1. .00 13. .78 ATOM 2791 O GLY 1013 44. .088 -15. .717 22. .260 1. .00 12. .71 ATOM 2792 N SER 1014 42. .692 -17. .277 21. .461 1. .00 14. .40 ATOM 2793 H SER 1014 42. .460 -17. .891 20. .729 1. .00 0. .00 ATOM 2794 CA SER 1014 41. .790 -17. .228 22. .572 1. .00 19. .95 ATOM 2795 CB SER 1014 40. .446 -17. .759 22. .077 1. .00 21. .51 ATOM 2796 OG SER 1014 40. .140 -17. .212 20. .789 1. .00 23. .00 ATOM 2797 HG SER 1014 39. .581 -16. .430 20. .875 1. .00 0. .00 ATOM 2798 C SER 1014 42. .335 -18. .038 23. .735 1. .00 21. .75 ATOM 2799 O SER 1014 42. .025 -19, .222 23. .887 1. .00 27. .85 ATOM 2800 N ILE 1015 43. .242 -17. .436 24. .506 1. .00 22. .37 ATOM 2801 H ILE 1015 43. .553 -16. .542 24. .252 1. .00 0. .00 300 - ATOM 2802 CA ILE 1015 43.755 -18.030 25.737 1.00 18.94 ATOM 2803 CB ILE 1015 45.300 -17.928 25 .823 1.00 14.49 ATOM 2804 CG2 ILE 1015 45.816 -18.827 24 .712 1.00 10.66 ATOM 2805 CGI ILE 1015 45.828 -16.508 25 .738 1.00 5.38 ATOM 2806 CD ILE 1015 47.306 -16.402 26 .087 1.00 4.01 ATOM 2807 C ILE 1015 43.133 -17.261 26 .894 1.00 18.07 ATOM 2808 O ILE 1015 42.731 -16.114 26 .688 1.00 15.23 ATOM 2809 N SER 1016 43.011 -17.835 28 .091 1.00 17.60 ATOM 2810 H SER 1016 43.360 -18.737 28 .240 1.00 0.00 ATOM 2811 CA SER 1016 42.414 -17.128 29 .211 1.00 17.39 ATOM 2812 CB SER 1016 41.797 -18.106 30 .225 1.00 13.17 ATOM 2813 OG SER 1016 42.766 -19.003 30 .737 1.00 18.24 ATOM 2814 HG SER 1016 42.913 -19.673 30 .056 1.00 0.00 ATOM 2815 C SER 1016 43.474 -16.305 29 .907 1.00 15.97 ATOM 2816 O SER 1016 44.662 -16.478 29 .609 1.00 20.64 ATOM 2817 N ARG 1017 43.088 -15.451 30 .866 1.00 18.56 ATOM 2818 H ARG 1017 42.137 -15.409 31, .087 1.00 0.00 ATOM 2819 CA ARG 1017 44.027 -14.653 31 .653 1.00 16.01 ATOM 2820 CB ARG 1017 43.262 -13.808 32 .672 1.00 17.86 ATOM 2821 CG ARG 1017 44.157 -12.902 33, .519 1.00 10.59 ATOM 2822 CD ARG 1017 43.366 -12.149 34, .570 1.00 8.03 ATOM 2823 NE ARG 1017 42.474 -11.197 33, .952 1.00 11.62 ATOM 2824 HE ARG 1017 42.024 -11.439 33, .117 1.00 0.00 ATOM 2825 CZ ARG 1017 42.184 -10.026 34, .498 1.00 13.10 ATOM 2826 NHI ARG 1017 42.697 -9.643 35. .658 1.00 14.59 ATOM 2827 HH11 ARG 1017 43.328 -10.244 36. .148 1.00 0.00 ATOM 2828 HHl2 ARG 1017 42.461 -8.748 36. .037 1.00 0.00 ATOM 2829 NH2 ARG 1017 41.347 -9.228 33. .854 1.00 15.19 ATOM 2830 HH21 ARG 1017 40.952 -9.522 32. .984 1.00 0.00 ATOM 2831 HH22 ARG 1017 41.112 -8.334 34. .236 1.00 0.00 ATOM 2832 C ARG 1017 45.001 -15.567 32. .383 1.00 16.72 ATOM 2833 O ARG 1017 46.202 -15.294 32. .469 1.00 22.39 ATOM 2834 N ALA 1018 44.481 -16.675 32. .906 1.00 21.82 ATOM 2835 H ALA 1018 43.505 -16.792 32. .879 1.00 0.00 ATOM 2836 CA ALA 1018 45.274 -17.667 33. .611 1.00 19.48 ATOM 2837 CB ALA 1018 44.380 -18.824 34. 070 1.00 18.63 ATOM 2838 C ALA 1018 46.356 -18.208 32. 707 1.00 20.25 ATOM 2839 O ALA 1018 47.521 -18.209 33. ,097 1.00 23.41 ATOM 2840 N GLU 1019 46.018 -18.541 31. 453 1.00 26.17 301 ATOM 2841 H GLU 1019 45.097 -18, .382 31.148 1.00 0.00 ATOM 2842 CA GLU 1019 47.007 -19, .117 30.559 1, .00 25.54 ATOM 2843 CB GLU 1019 46.331 -19. .816 29.366 1, .00 32.42 ATOM 2844 CG GLU 1019 47.353 -20, .841 28.796 1, .00 48.31 ATOM 2845 CD GLU 1019 46.940 -21, .712 27.601 1, .00 54.58 ATOM 2846 OEI GLU 1019 45.954 -22. .447 27.709 1, .00 61.36 ATOM 2847 OE2 GLU 1019 47.618 -21. .681 26.568 1. .00 56.27 ATOM 2848 C GLU 1019 47.976 -18. .080 30.045 1. .00 20.28 ATOM 2849 O GLU 1019 49.125 -18. .401 29.708 1. .00 22.96 ATOM 2850 N ALA 1020 47.535 -16. .831 29.929 1, .00 20.31 ATOM 2851 H ALA 1020 46.592 -16. .654 30.134 1, .00 0.00 ATOM 2852 CA ALA 1020 48.372 -15, .704 29.515 1, .00 14.33 ATOM 2853 CB ALA 1020 47.532 -14. .431 29.359 1. .00 10.33 ATOM 2854 C ALA 1020 49.424 -15. .451 30.587 1. .00 17.38 ATOM 2855 O ALA 1020 50.621 -15, .470 30.283 1. .00 20.66 ATOM 2856 N GLU 1021 48.992 -15. .301 31.843 1. .00 20.59 ATOM 2857 H GLU 1021 48.029 -15. .342 32.004 1. .00 0.00 ATOM 2858 CA GLU 1021 49.877 -15. .110 32.982 1. .00 23.11 ATOM 2859 CB GLU 1021 49.070 -14. .931 34.246 1. .00 22.53 ATOM 2860 CG GLU 1021 48.343 -13. .605 34.247 1. .00 17.51 ATOM 2861 CD GLU 1021 47.521 -13. .292 35.485 1. .00 22.86 ATOM 2862 OEI GLU 1021 47.081 -12. .150 35.589 1. .00 26.96 ATOM 2863 OE2 GLU 1021 47.303 -14. .160 36.338 1. .00 31.30 ATOM 2864 C GLU 1021 50.831 -16. .271 33.181 1. .00 22.56 ATOM 2865 O GLU 1021 51.999 -16. .024 33.469 1. .00 24.82 ATOM 2866 N GLU 1022 50.422 -17. .533 32.999 1. .00 26.01 ATOM 2867 H GLU 1022 49.465 -17. .718 32.877 1. .00 0.00 ATOM 2868 CA GLU 1022 51.361 -18. .649 33.072 1. .00 28.78 ATOM 2869 CB GLU 1022 50.708 -20. .001 32.767 1. .00 32.14 ATOM 2870 CG GLU 1022 49.564 -20. .417 33.691 1. .00 41.37 ATOM 2871 CD GLU 1022 49.750 -20. .078 35.168 1. .00 47.97 ATOM 2872 OEI GLU 1022 50.608 -20. .686 35.813 1. .00 50.55 ATOM 2873 OE2 GLU 1022 49.036 -19. .195 35.663 1. .00 51.22 ATOM 2874 C GLU 1022 52.488 -18. .469 32.080 1. .00 29.05 ATOM 2875 O GLU 1022 53.647 -18, .612 32.469 1. .00 30.51 ATOM 2876 N HIS 1023 52.147 -18. .072 30.835 1. .00 29.07 ATOM 2877 H HIS 1023 51.192 -17, .931 30.660 1. .00 0.00 ATOM 2878 CA HIS 1023 53.099 -17 .785 29.768 1 .00 23.70 ATOM 2879 CB HIS 1023 52.402 -17 .389 28.463 1 .00 26.84 302 ATOM 2880 CG HIS 1023 51.754 -18.539 27.700 1.00 21.08 ATOM 2881 CD2 HIS 1023 52.452 -19.570 27.112 1.00 19.12 ATOM 2882 NDI HIS 1023 50.457 -18.741 27.451 1.00 18.71 ATOM 2883 HD1 HIS 1023 49.706 -18.258 27.867 1.00 0.00 ATOM 2884 CEI HIS 1023 50.345 -19.836 26.738 1.00 15.87 ATOM 2885 NE2 HIS 1023 51.548 -20.329 26.541 1.00 17.83 ATOM 2886 HE2 HIS 1023 51.752 -21.134 26.020 1.00 0.00 ATOM 2887 C HIS 1023 54.043 -16.662 30.107 1.00 20.78 ATOM 2888 O HIS 1023 55.247 -16.815 29.895 1.00 24.83 ATOM 2889 N LEU 1024 53.578 -15.531 30.628 1.00 22.60 ATOM 2890 H LEU 1024 52.612 -15.418 30.757 1.00 0.00 ATOM 2891 CA LEU 1024 54.489 -14.462 31.036 1.00 24.27 ATOM 2892 CB LEU 1024 53.753 -13.210 31.558 1.00 24.96 ATOM 2893 CG LEU 1024 53.085 -12.073 30.735 1.00 22.86 ATOM 2894 CDl LEU 1024 53.723 -12.000 29.373 1.00 19.34 ATOM 2895 CD2 LEU 1024 51.605 -12.301 30.571 1.00 18.19 ATOM 2896 C LEU 1024 55.404 -14.940 32.163 1.00 28.32 ATOM 2897 O LEU 1024 56.605 -14.641 32.186 1.00 30.07 ATOM 2898 N LYS 1025 54.863 -15.712 33.115 1.00 33.91 ATOM 2899 H LYS 1025 53.911 -15.931 33.060 1.00 0.00 ATOM 2900 CA LYS 1025 55.640 -16.233 34.239 1.00 35.35 ATOM 2901 CB LYS 1025 54.782 -17.080 35.183 1.00 38.19 ATOM 2902 CG LYS 1025 53.976 -16.173 36.102 1.00 40.50 ATOM 2903 CD LYS 1025 53.101 -16.863 37.152 1.00 42.76 ATOM 2904 CE LYS 1025 51.986 -17.672 36.534 1.00 40.89 ATOM 2905 NZ LYS 1025 51.138 -18.245 37.560 1.00 45.64 ATOM 2906 HZ1 LYS 1025 50.393 -18.818 37.119 1.00 0.00 ATOM 2907 HZ2 LYS 1025 50.696 -17.477 38.105 1.00 0.00 ATOM 2908 HZ3 LYS 1025 51.705 -18.843 38.193 1.00 0.00 ATOM 2909 C LYS 1025 56.770 -17.090 33.731 1.00 34.63 ATOM 2910 O LYS 1025 57.936 -16.854 34.046 1.00 36.50 ATOM 2911 N LEU 1026 56.426 -18.031 32.857 1.00 37.51 ATOM 2912 H LEU 1026 55.483 -18.128 32.621 1.00 0.00 ATOM 2913 CA LEU 1026 57.402 -18.908 32.245 1.00 35.08 ATOM 2914 CB LEU 1026 56.671 -19.965 31.406 1.00 35.34 ATOM 2915 CG LEU 1026 55.672 -20.873 32.167 1.00 34.52 ATOM 2916 CDl LEU 1026 55.241 -22.004 31.260 1.00 34.74 ATOM 2917 CD2 LEU 1026 56.297 -21.471 33.418 1.00 31.16 ATOM 2918 C LEU 1026 58.388 -18.115 31.408 1.00 34.31 - 303 - ATOM 2919 O LEU 1026 59.576 -18.431 31.418 1.00 37.02 ATOM 2920 N ALA 1027 58.007 -17.022 30.749 1.00 36.27 ATOM 2921 H ALA 1027 57.062 -16.764 30.756 1.00 0.00 ATOM 2922 CA ALA 1027 58.969 -16.177 30.032 1.00 38.06 ATOM 2923 CB ALA 1027 58.185 -15.258 29.091 1.00 39.20 ATOM 2924 C ALA 1027 59.879 -15.327 30.956 1.00 40.05 ATOM 2925 O ALA 1027 60.436 -14.291 30.568 1.00 42.49 ATOM 2926 N GLY 1028 60.042 -15.701 32.228 1.00 42.21 ATOM 2927 H GLY 1028 59.563 -16.479 32.578 1.00 0.00 ATOM 2928 CA GLY 1028 60.911 -15.002 33.146 1.00 41.60 ATOM 2929 C GLY 1028 60.320 -13.705 33.688 1.00 42.47 ATOM 2930 O GLY 1028 61.123 -12.858 34.082 1.00 45.26 ATOM 2931 N MET 1029 58.999 -13.445 33.704 1.00 39.68 ATOM 2932 H MET 1029 58.405 -14.085 33.254 1.00 0.00 ATOM 2933 CA MET 1029 58.415 -12.229 34.296 1.00 39.81 ATOM 2934 CB MET 1029 58.204 -12.492 35.780 1.00 37.74 ATOM 2935 CG MET 1029 57.191 -13.558 36.080 1.00 34.82 ATOM 2936 SD MET 1029 55.548 -13.160 35.465 1.00 37.33 ATOM 2937 CE MET 1029 55.139 -11.863 36.592 1.00 28.27 ATOM 2938 C MET 1029 59.106 -10.850 34.145 1.00 41.56 ATOM 2939 O MET 1029 58.930 -9.913 34.953 1.00 43.62 ATOM 2940 N ALA 1030 59.892 -10.700 33.074 1.00 41.39 ATOM 2941 H ALA 1030 59.990 -11.464 32.474 1.00 0.00 ATOM 2942 CA ALA 1030 60.625 -9.484 32.791 1.00 39.08 ATOM 2943 CB ALA 1030 61.401 -9.669 31.495 1.00 37.10 ATOM 2944 C ALA 1030 59.718 -8.269 32.674 1.00 40.79 ATOM 2945 O ALA 1030 58.540 -8.363 32.315 1.00 39.87 ATOM 2946 N ASP 1031 60.262 -7.100 32.994 1.00 43.06 ATOM 2947 H ASP 1031 61.220 -7.054 33.170 1.00 0.00 ATOM 2948 CA ASP 1031 59.483 -5.883 32.928 1.00 46.24 ATOM 2949 CB ASP 1031 60.222 -4.768 33.674 1.00 50.38 ATOM 2950 CG ASP 1031 59.322 -3.657 34.202 1.00 52.70 ATOM 2951 ODI ASP 1031 59.536 -3.217 35.330 1.00 55.84 ATOM 2952 OD2 ASP 1031 58.406 -3.232 33.502 1.00 54.94 ATOM 2953 C ASP 1031 59.342 -5.564 31.446 1.00 45.89 ATOM 2954 O ASP 1031 60.282 -5.798 30.682 1.00 48.59 ATOM 2955 N GLY 1032 58.159 -5.114 31.029 1.00 45.12 ATOM 2956 H GLY 1032 57.428 -5.032 31.670 1.00 0.00 ATOM 2957 CA GLY 1032 57.872 -4.794 29.638 1.00 39.58 304 ATOM 2958 C GLY 1032 57.597 -6.031 28.788 1.00 37.39 ATOM 2959 O GLY 1032 57.438 -5.940 27.563 1.00 36.99 ATOM 2960 N LEU 1033 57.585 -7.218 29.397 1.00 33.89 ATOM 2961 H LEU 1033 57.724 -7.251 30.367 1.00 0.00 ATOM 2962 CA LEU 1033 57.259 -8.459 28.716 1.00 28.02 ATOM 2963 CB LEU 1033 57.502 -9.640 29.646 1.00 26.51 ATOM 2964 CG LEU 1033 57.337 -11.085 29.224 1.00 22.78 ATOM 2965 CDl LEU 1033 58.468 -11.545 28.347 1.00 18.85 ATOM 2966 CD2 LEU 1033 57.322 -11.918 30.487 1.00 19.74 ATOM 2967 C LEU 1033 55.776 -8.298 28.427 1.00 26.53 ATOM 2968 O LEU 1033 55.029 -7.838 29.302 1.00 23.41 ATOM 2969 N PHE 1034 55.363 -8.589 27.198 1.00 24.15 ATOM 2970 H PHE 1034 56.006 -8.911 26.529 1.00 0.00 ATOM 2971 CA PHE 1034 53.976 -8.439 26.822 1.00 21.19 ATOM 2972 CB PHE 1034 53.761 -7.092 26.100 1.00 21.77 ATOM 2973 CG PHE 1034 54.457 -6.953 24.744 1.00 23.54 ATOM 2974 CDl PHE 1034 53.722 -7.110 23.570 1.00 27.19 ATOM 2975 CD2 PHE 1034 55.818 -6.664 24.665 1.00 24.54 ATOM 2976 CEI PHE 1034 54.343 -6.983 22.333 1.00 25.67 ATOM 2977 CE2 PHE 1034 56.436 -6.534 23.422 1.00 24.17 ATOM 2978 CZ PHE 1034 55.702 -6.694 22.259 1.00 24.71 ATOM 2979 C PHE 1034 53.571 -9.571 25.908 1.00 20.13 ATOM 2980 O PHE 1034 54.417 -10.319 25.405 1.00 20.20 ATOM 2981 N LEU 1035 52.284 -9.686 25.641 1.00 21.17 ATOM 2982 H LEU 1035 51.633 -9.098 26.081 1.00 0.00 ATOM 2983 CA LEU 1035 51.775 -10.647 24.685 1.00 19.77 ATOM 2984 CB LEU 1035 51.654 -12.048 25.333 1.00 20.30 ATOM 2985 CG LEU 1035 50.695 -12.462 26.447 1.00 12.94 ATOM 2986 CDl LEU 1035 49.314 -12.804 25.946 1.00 14.01 ATOM 2987 CD2 LEU 1035 51.181 -13.777 26.987 1.00 12.52 ATOM 2988 C LEU 1035 50.415 -10.122 24.256 1.00 18.47 ATOM 2989 O LEU 1035 49.817 -9.268 24.938 1.00 13.42 ATOM 2990 N LEU 1036 49.905 -10.668 23.154 1.00 17.71 ATOM 2991 H LEU 1036 50.390 -11.397 22.713 1.00 0.00 ATOM 2992 CA LEU 1036 48.602 -10.296 22.636 1.00 17.41 ATOM 2993 CB LEU 1036 48.862 -9.725 21.252 1.00 15.80 ATOM 2994 CG LEU 1036 47.848 -8.867 20.504 1.00 21.02 ATOM 2995 CDl LEU 1036 47.484 -7.615 21.281 1.00 12.72 ATOM 2996 CD2 LEU 1036 48.479 -8.470 19.168 1.00 21.07 - 305 ATOM 2997 C LEU 1036 47.675 -11.526 22.636 1, .00 15.31 ATOM 2998 O LEU 1036 48 .100 -12.643 22 .317 1. .00 14.62 ATOM 2999 N ARG 1037 46 .401 -11.417 23 .034 1, .00 14.85 ATOM 3000 H ARG 1037 46 .037 -10.536 23. .270 1, .00 0.00 ATOM 3001 CA ARG 1037 45 .486 -12.558 23, .011 1. .00 14.73 ATOM 3002 CB ARG 1037 45 .303 -13.143 24, .403 1, .00 12.40 ATOM 3003 CG ARG 1037 44 .799 -12.232 25, .502 1. .00 11.81 ATOM 3004 CD ARG 1037 44, .980 -13.004 26, .799 1. .00 18.91 ATOM 3005 NE ARG 1037 45, .018 -12.174 27, .995 1. .00 13.00 ATOM 3006 HE ARG 1037 45. .850 -11.703 28. .210 1. .00 0.00 ATOM 3007 CZ ARG 1037 43. .963 -12.015 28. .790 1. .00 8.56 ATOM 3008 NHI ARG 1037 42. .788 -12.578 28. .579 1. .00 4.18 ATOM 3009 HH11 ARG 1037 42. .647 -13.162 27. .780 1. ,00 0.00 ATOM 3010 HH12 ARG 1037 42. .038 -12.409 29. .219 1. ,00 0.00 ATOM 3011 NH2 ARG 1037 44. .111 -11.263 29. .863 1. ,00 15.54 ATOM 3012 HH21 ARG 1037 45. .000 -10.842 30. .042 1. ,00 0.00 ATOM 3013 HH22 ARG 1037 43. .362 -11.129 30. .503 1. .00 0.00 ATOM 3014 C ARG 1037 44. .144 -12.076 22. .487 1. ,00 15.15 ATOM 3015 O ARG 1037 43. .870 -10.880 22. .529 1. ,00 18.16 ATOM 3016 N GLN 1038 43. .274 -12.913 21. .947 1. ,00 15.48 ATOM 3017 H GLN 1038 43. .461 -13.872 21. .999 1. ,00 0.00 ATOM 3018 CA GLN 1038 41. .997 -12.454 21. .426 1. .00 14.10 ATOM 3019 CB GLN 1038 41. .373 -13.521 20. .540 1. .00 18.15 ATOM 3020 CG GLN 1038 40. .006 -13.156 19. .989 1. .00 28.15 ATOM 3021 CD GLN 1038 39. .307 -14.246 19. .187 .00 34.24 ATOM 3022 OEI GLN 1038 38, .715 -15.187 19. .728 1. .00 38.06 ATOM 3023 NE2 GLN 1038 39, .311 -14.134 17. .871 1. .00 37.72 ATOM 3024 HE21 GLN 1038 39, .718 -13.321 17. .496 1. .oo ' 0.00 ATOM 3025 HE22 GLN 1038 38, .909 -14.848 17. .342 1. .00 0.00 ATOM 3026 C GLN 1038 41. .101 -12.214 22. .617 1. .00 16.07 ATOM 3027 O GLN 1038 41, .119 -13.003 23. .573 1. .00 18.21 ATOM 3028 N CYS 1039 40, .296 -11.154 22. .554 1. .00 12.03 ATOM 3029 H CYS 1039 40, .277 -10.599 21. .746 1, .00 0.00 ATOM 3030 CA CYS 1039 39, .372 -10.872 23, .623 1, .00 13.04 ATOM 3031 CB CYS 1039 38 .926 -9.451 23, .477 1, .00 9.29 ATOM 3032 SG CYS 1039 37 .883 -8.919 24, .843 1. .00 18.16 ATOM 3033 C CYS 1039 38 .179 -11.826 23 .602 1 .00 14.04 ATOM 3034 O CYS 1039 37. .519 -12.057 22, .579 1. .00 14.09 ATOM 3035 N LEU 1040 37 .900 -12.406 24, .768 1, .00 15.22 306 ATOM 3036 H LEU 1040 38.502 -12.212 25.526 1.00 0.00 ATOM 3037 CA LEU 1040 36 .787 -13 .319 24 .969 1 .00 9 .91 ATOM 3038 CB LEU 1040 37 .085 -14 .214 26 .168 1 .00 12 .52 ATOM 3039 CG LEU 1040 37 .745 -15 .585 26 .056 1 .00 11 .84 ATOM 3040 CDl LEU 1040 38 .554 -15 .722 24 .770 1 .00 13 .81 ATOM 3041 CD2 LEU 1040 38 .561 -15 .784 27 .339 1 .00 13 .23 ATOM 3042 C LEU 1040 35 .454 -12 .620 25 .195 1 .00 11 .13 ATOM 3043 O LEU 1040 34 .418 -13 .274 25 .228 1 .00 13 .17 ATOM 3044 N ARG 1041 35 .377 -11 .311 25 .374 1 .00 12 .13 ATOM 3045 H ARG 1041 36 .187 -10 .764 25 .346 1 .00 0 .00 ATOM 3046 CA ARG 1041 34 .111 -10 .669 25 .679 1 .00 10 .99 ATOM 3047 CB ARG 1041 34 .288 -9 .748 26 .874 1 .00 12 .91 ATOM 3048 CG ARG 1041 35 .011 -10 .409 28 .044 1 .00 15 .73 ATOM 3049 CD ARG 1041 35 .147 -9 .425 29 .170 1. .00 18 .18 ATOM 3050 NE ARG 1041 36 .250 -8 .523 28 .926 1, .00 19 .90 ATOM 3051 HE ARG 1041 37 .154 -8 .890 28 .998 1 .00 0 .00 ATOM 3052 CZ ARG 1041 36, .099 -7, .224 28, .699 1, .00 14. .29 ATOM 3053 NHI ARG 1041 34, .902 -6, .630 28, .678 1. .00 18. .27 ATOM 3054 HH11 ARG 1041 34. .070 -7. .163 28. .831 1. .00 0. .00 ATOM 3055 HHl2 ARG 1041 34. .836 -5. .648 28. .501 1. .00 0. .00 ATOM 3056 NH2 ARG 1041 37. .194 -6. .525 28. .474 .00 14. .40 ATOM 3057 HH21 ARG 1041 38. .088 -6. .972 28. .482 1. .00 0. .00 ATOM 3058 HH22 ARG 1041 37. .125 -5. .546 28. .291 1. .00 0. .00 ATOM 3059 C ARG 1041 33. .576 -9. .862 24. .520 1. .00 13. .52 ATOM 3060 O ARG 1041 32. .381 -9. .559 24. .485 1. ,00 14. .23 ATOM 3061 N SER 1042 34. .423 -9. .463 23. .581 1. ,00 15. .67 ATOM 3062 H SER 1042 35. .377 -9. .669 23. .602 1. ,00 0. .00 ATOM 3063 CA SER 1042 33. .974 -8. .656 22. .476 1. 00 20. ,42 ATOM 3064 CB SER 1042 34. .508 -7. .256 22. ,661 1. 00 25. ,01 ATOM 3065 OG SER 1042 35. .923 -7. .314 22. ,764 1. 00 29. ,54 ATOM 3066 HG SER 1042 36. 266 -6. 507 23. 176 1. 00 0. 00 ATOM 3067 C SER 1042 34. 426 -9. ,212 21. 146 1. 00 21. 18 ATOM 3068 O SER 1042 35. 579 -9. 627 21. 026 1. 00 25. 17 ATOM 3069 N LEU 1043 33. 518 -9. 265 20. 173 1. 00 19. 97 ATOM 3070 H LEU 1043 32. 600 -9. 025 20. 392 1. 00 0. 00 ATOM 3071 CA LEU 1043 33. 811 -9. 648 18. 798 1. 00 24. 42 ATOM 3072 CB LEU 1043 32. 509 -9. 609 17. 961 1. 00 24. 11 ATOM 3073 CG LEU 1043 31. 223 -10. 342 18. 414 1. 00 26. 18 ATOM 3074 CDl LEU 1043 30. 091 -10. 041 17. 441 1. 00 20. 08 307 - ATOM 3075 CD2 LEU 1043 31.458 -11.837 18.459 1.00 27.15 ATOM 3076 C LEU 1043 34.852 -8.703 18.164 1.00 23.94 ATOM 3077 O LEU 1043 34.643 -7.491 18.066 1.00 27.05 ATOM 3078 N GLY 1044 36.012 -9.201 17.770 1.00 24.33 ATOM 3079 H GLY 1044 36.200 -10.150 17.951 1.00 0.00 ATOM 3080 CA GLY 1044 36.996 -8.377 17.087 1.00 22.34 ATOM 3081 C GLY 1044 38.082 -7.770 17.961 1.00 22.83 ATOM 3082 O GLY 1044 39.124 -7.396 17.418 1.00 29.16 ATOM 3083 N GLY 1045 37.935 -7.661 19.282 1.00 22.47 ATOM 3084 H GLY 1045 37.152 -8.068 19.709 1.00 0.00 ATOM 3085 CA GLY 1045 38.959 -7.050 20.113 1.00 17.57 ATOM 3086 C GLY 1045 40.081 -8.005 20.519 1.00 17.34 ATOM 3087 O GLY 1045 40.034 -9.226 20.291 1.00 17.24 ATOM 3088 N TYR 1046 41.082 -7.446 21.183 1.00 13.57 ATOM 3089 H TYR 1046 40.988 -6.507 21.467 1.00 0.00 ATOM 3090 CA TYR 1046 42.234 -8.182 21.672 1.00 15.71 ATOM 3091 CB TYR 1046 43.490 -7.848 20.902 1.00 21.28 ATOM 3092 CG TYR 1046 43.413 -8.275 19.457 1.00 24.29 ATOM 3093 CDl TYR 1046 43.708 -9.590 19.084 1.00 22.08 ATOM 3094 CEI TYR 1046 43.609 -9.958 17.742 1.00 29.88 ATOM 3095 CD2 TYR 1046 43.023 -7.327 18.518 1.00 23.41 ATOM 3096 CE2 TYR 1046 42.924 -7.693 17.184 1.00 32.25 ATOM 3097 CZ TYR 1046 43.217 -8.998 16.801 1.00 31.62 ATOM 3098 OH TYR 1046 43.118 -9.302 15.457 1.00 31.31 ATOM 3099 HH TYR 1046 42.631 -8.575 15.048 1.00 0.00 ATOM 3100 C TYR 1046 42.491 -7.793 23.112 1.00 13.63 ATOM 3101 O TYR 1046 41.744 -6.969 23.620 1.00 14.97 ATOM 3102 N VAL 1047 43.467 -8.354 23.828 1.00 16.06 ATOM 3103 H VAL 1047 43.984 -9.086 23.428 1.00 0.00 ATOM 3104 CA VAL 1047 43.835 -7.929 25.178 1.00 15.04 ATOM 3105 CB VAL 1047 43.330 -8.920 26.310 1.00 12.79 ATOM 3106 CGI VAL 1047 43.721 -8.413 27.705 1.00 5.01 ATOM 3107 CG2 VAL 1047 41.820 -8.948 26.381 1.00 3.47 ATOM 3108 C VAL 1047 45.362 -7.937 25.119 1.00 15.77 ATOM 3109 O VAL 1047 45.953 -8.849 24.517 1.00 10.22 ATOM 3110 N LEU 1048 45.977 -6.880 25.663 1.00 19.22 ATOM 3111 H LEU 1048 45.429 -6.147 26.016 1.00 0.00 ATOM 3112 CA LEU 1048 47.427 -6.758 25.804 1.00 20.69 ATOM 3113 CB LEU 1048 47.865 -5.299 25.610 1.00 24.41 308 ATOM 3114 CG LEU 1048 49.229 -4.886 25.045 1.00 24.96 ATOM 3115 CDl LEU 1048 50.347 -5.852 25.414 1.00 25.43 ATOM 3116 CD2 LEU 1048 49.106 -4.886 23.533 1.00 30.87 ATOM 3117 C LEU 1048 47.754 -7.185 27.239 1.00 19.53 ATOM 3118 O LEU 1048 47.194 -6.597 28.175 1.00 20.94 ATOM 3119 N SER 1049 48.578 -8.212 27.451 1.00 18.81 ATOM 3120 H SER 1049 48.977 -8.679 26.690 1.00 0.00 ATOM 3121 CA SER 1049 48.975 -8.629 28.776 1.00 19.55 ATOM 3122 CB SER 1049 48.671 -10.116 28.985 1.00 13.59 ATOM 3123 OG SER 1049 47.253 -10.292 28.987 1.00 12.90 ATOM 3124 HG SER 1049 47.044 -10.337 28.034 1.00 0.00 ATOM 3125 C SER 1049 50.465 -8.350 28.857 1.00 23.25 ATOM 3126 O SER 1049 51.279 -8.800 28.051 1.00 27.44 ATOM 3127 N LEU 1050 50.806 -7.549 29.843 1.00 29.25 ATOM 3128 H LEU 1050 50.116 -7.296 30.492 1.00 0.00 ATOM 3129 CA LEU 1050 52.137 -7.031 30.060 1.00 28.57 ATOM 3130 CB LEU 1050 51.960 -5.562 29.602 1.00 24.11 ATOM 3131 CG LEU 1050 52.540 -4.304 30.228 1.00 25.47 ATOM 3132 CDl LEU 1050 54.012 -4.129 29.911 1.00 25.51 ATOM 3133 CD2 LEU 1050 51.830 -3.120 29.611 1.00 27.22 ATOM 3134 C LEU 1050 52.561 -7.280 31.529 1.00 30.12 ATOM 3135 O LEU 1050 51.730 -7.499 32.430 1.00 28.70 ATOM 3136 N VAL 1051 53.860 -7.287 31.806 1.00 31.79 ATOM 3137 H VAL 1051 54.494 -7.177 31.065 1.00 0.00 ATOM 3138 CA VAL 1051 54.401 -7.422 33.150 1.00 34.62 ATOM 3139 CB VAL 1051 55.474 -8.537 33.264 1.00 34.04 ATOM 3140 CGI VAL 1051 55.903 -8.689 34.701 1.00 36.53 ATOM 3141 CG2 VAL 1051 54.926 -9.868 32.830 1.00 35.98 ATOM 3142 C VAL 1051 55.091 -6.086 33.424 1.00 38.18 ATOM 3143 O VAL 1051 55.879 -5.549 32.634 1.00 35.79 ATOM 3144 N HIS 1052 54.811 -5.468 34.551 1.00 42.38 ATOM 3145 H HIS 1052 54.198 -5.900 35.181 1.00 0.00 ATOM 3146 CA HIS 1052 55.526 -4.270 34.925 1.00 46.55 ATOM 3147 CB HIS 1052 54.622 -3.054 34.980 1.00 47.71 ATOM 3148 CG HIS 1052 55.292 -1.796 35.514 1.00 51.97 ATOM 3149 CD2 HIS 1052 56.403 -1.215 34.957 1.00 50.95 ATOM 3150 NDI HIS 1052 54.920 -1.038 36.542 1.00 53.03 ATOM 3151 HD1 HIS 1052 54.229 -1.225 37.214 1.00 0.00 ATOM 3152 CEI HIS 1052 55.751 -0.028 36.615 1.00 52.41 309 ATOM 3153 NE2 HIS 1052 56.637 -0.145 35.657 1.00 52.66 ATOM 3154 HE2 HIS 1052 57.240 0.580 35.383 1.00 0.00 ATOM 3155 C HIS 1052 55.905 -4.696 36.308 1.00 48.34 ATOM 3156 O HIS 1052 55.023 -4.788 37.157 1.00 50.78 ATOM 3157 N ASP 1053 57.194 -5.005 36.440 1.00 51.11 ATOM 3158 H ASP 1053 57.743 -4.973 35.634 1.00 0.00 ATOM 3159 CA ASP 1053 57.851 -5.483 37.655 1.00 54.60 ATOM 3160 CB ASP 1053 58.239 -4.287 38.603 1.00 57.17 ATOM 3161 CG ASP 1053 57.191 -3.278 39.068 1.00 55.92 ATOM 3162 ODI ASP 1053 57.343 -2.104 38.741 1.00 58.38 ATOM 3163 OD2 ASP 1053 56.244 -3.647 39.761 1.00 55.18 ATOM 3164 C ASP 1053 57.098 -6.535 38.462 1.00 54.40 ATOM 3165 O ASP 1053 56.537 -6.320 39.534 1.00 56.76 ATOM 3166 N VAL 1054 57.101 -7.737 37.882 1.00 51.08 ATOM 3167 H VAL 1054 57.591 -7.850 37.043 1.00 0.00 ATOM 3168 CA VAL 1054 56.472 -8.926 38.449 1.00 45.93 ATOM 3169 CB VAL 1054 57.278 -9.313 39.763 1.00 46.32 ATOM 3170 CGI VAL 1054 56.979 -10.757 40.164 1.00 48.05 ATOM 3171 CG2 VAL 1054 58.788 -9.253 39.532 1.00 42.02 ATOM 3172 C VAL 1054 54.953 -8.767 38.693 1.00 43.30 ATOM 3173 O VAL 1054 54.305 -9.578 39.358 1.00 39.79 ATOM 3174 N ARG 1055 54.297 -7.760 38.117 1.00 44.36 ATOM 3175 H ARG 1055 54.798 -7.059 37.658 1.00 0.00 ATOM 3176 CA ARG 1055 52.851 -7.588 38.236 1.00 44.68 ATOM 3177 CB ARG 1055 52.474 -6.272 38.916 1.00 50.69 ATOM 3178 CG ARG 1055 52.105 -6.377 40.387 1.00 57.61 ATOM 3179 CD ARG 1055 51.635 -5.024 40.913 1.00 61.91 ATOM 3180 NE ARG 1055 52.729 -4.130 41.282 1.00 68.12 ATOM 3181 HE ARG 1055 53.219 -4.311 42.112 1.00 0.00 ATOM 3182 CZ ARG 1055 53.110 -3.071 40.553 1.00 69.52 ATOM 3183 NHI ARG 1055 52.525 -2.744 39.394 1.00 69.57 ATOM 3184 HH11 ARG 1055 51.767 -3.294 39.044 1.00 0.00 ATOM 3185 HH12 ARG 1055 52.844 -1.945 38.882 1.00 0.00 ATOM 3186 NH2 ARG 1055 54.075 -2.287 41.039 1.00 69.36 ATOM 3187 HH21 ARG 1055 54.496 -2.495 41.922 1.00 0.00 ATOM 3188 HH22 ARG 1055 54.380 -1.490 40.518 1.00 0.00 ATOM 3189 C ARG 1055 52.273 -7.553 36.837 1.00 39.48 ATOM 3190 O ARG 1055 52.702 -6.718 36.031 1.00 35.41 ATOM 3191 N PHE 1056 51.277 -8.400 36.577 1.00 35.03 - 310 - ATOM 3192 H PHE 1056 50.896 -8.907 37.325 1.00 0.00 ATOM 3193 CA PHE 1056 50 .643 -8 .531 35 .270 1 .00 30 .23 ATOM 3194 CB PHE 1056 49 .910 -9 .817 35 .090 1 .00 28 .55 ATOM 3195 CG PHE 1056 50 .728 -11 .041 35 .334 1 .00 24 .98 ATOM 3196 CDl PHE 1056 50 .515 -11 .749 36 .513 1 .00 25 .55 ATOM 3197 CD2 PHE 1056 51 .617 -11 .476 34 .365 1 .00 20 .60 ATOM 3198 CEI PHE 1056 51 .206 -12 .935 36 .721 1 .00 27 .31 ATOM 3199 CE2 PHE 1056 52 .305 -12 .661 34 .579 1 .00 25 .47 ATOM 3200 CZ PHE 1056 52 .099 -13 .388 35 .751 1 .00 27 .08 ATOM 3201 C PHE 1056 49 .584 -7 .487 35 .083 1. .00 26 .03 ATOM 3202 O PHE 1056 48 .861 -7 .198 36 .038 1 .00 28 .66 ATOM 3203 N HIS 1057 49 .427 -6 .944 33 .888 1 .00 23 .48 ATOM 3204 H HIS 1057 49 .959 -7 .281 33 .131 1, .00 0 .00 ATOM 3205 CA HIS 1057 48 .428 -5 .900 33 .635 1, .00 27, .72 ATOM 3206 CB HIS 1057 49 .127 -4 .511 33 .499 1, .00 27, .65 ATOM 3207 CG HIS 1057 49, .975 -4 .158 34 .715 1. .00 26, .44 ATOM 3208 CD2 HIS 1057 51. .296 -4 .523 34, .820 1. .00 26, .73 ATOM 3209 NDI HIS 1057 49, .638 -3 .584 35, .870 1. .00 26. .22 ATOM 3210 HD1 HIS 1057 48, .729 -3, .352 36, .167 1. .00 0. .00 ATOM 3211 CEI HIS 1057 50. .693 -3, .611 36, .650 1. .00 23. .17 ATOM 3212 NE2 HIS 1057 51. .689 -4, .182 36. .017 1. .00 22. .82 ATOM 3213 HE2 HIS 1057 52. .470 -4. .597 36. .455 1. .00 0. .00 ATOM 3214 C HIS 1057 47. .737 -6. .298 32. .332 1. ,00 26. .04 ATOM 3215 O HIS 1057 48. .401 -6. .849 31. .445 1. ,00 26. .55 ATOM 3216 N HIS 1058 46. .422 -6. .107 32. .193 1. 00 23. .29 ATOM 3217 H HIS 1058 45. .925 -5. .566 32. .839 1. 00 0. .00 ATOM 3218 CA HIS 1058 45. .668 -6. .592 31. .043 1. 00 17. .86 ATOM 3219 CB HIS 1058 44. ,669 -7. ,714 31. .412 1. 00 17. ,03 ATOM 3220 CG HIS 1058 45. ,393 -8. .892 32. ,027 1. 00 12. ,01 ATOM 3221 CD2 HIS 1058 45. 577 -9. ,067 33. ,378 1. 00 14. ,01 ATOM 3222 NDI HIS 1058 46. 059 -9. ,845 31. ,407 1. 00 15. ,39 ATOM 3223 HD1 HIS 1058 46. 150 -9. ,979 30. 433 1. 00 0. ,00 ATOM 3224 CEI HIS 1058 46. 656 -10. ,577 32. 308 1. 00 18. ,06 ATOM 3225 NE2 HIS 1058 46. 362 -10. ,102 33. 495 1. 00 14. 69 ATOM 3226 HE2 HIS 1058 46. 704 -10. 441 34. 346 1. 00 0. 00 ATOM 3227 C HIS 1058 44. 872 -5. 433 30. 553 1. 00 14. 50 ATOM 3228 O HIS 1058 44. 041 -4. 949 31. 314 1. 00 16. 31 ATOM 3229 N PHE 1059 45. 101 -4. 956 29. 343 1. 00 16. 76 ATOM 3230 H PHE 1059 45. 771 -5. 375 28. 760 1. 00 0. 00 31 1 ATOM 3231 CA PHE 1059 44..326 -3.837 28.839 1..00 19.96 ATOM 3232 CB PHE 1059 45, .215 -2 .681 28 .409 1, .00 17, .38 ATOM 3233 CG PHE 1059 46 .192 -2 .226 29 .477 1 .00 19 .10 ATOM 3234 CDl PHE 1059 47 .284 -3 .039 29 .834 1, .00 15 .32 ATOM 3235 CD2 PHE 1059 46, .007 -0 .976 30 .070 1, .00 15, .59 ATOM 3236 CEI PHE 1059 48, .194 -2 .599 30, .785 1. .00 13, .47 ATOM 3237 CE2 PHE 1059 46, .932 -0 .550 31, .023 1. .00 14, .40 ATOM 3238 CZ PHE 1059 48, .014 -1, .354 31, .378 1. .00 10, .86 ATOM 3239 C PHE 1059 43, .564 -4, .334 27, .628 1. .00 21, .22 ATOM 3240 O PHE 1059 44. .160 -4, .900 26, .703 1. .00 22, .35 ATOM 3241 N PRO 1060 42. .240 -4, .224 27. .616 1. .00 22. .92 ATOM 3242 CD PRO 1060 41. .428 -3, .723 28. .719 1. .00 22. .08 ATOM 3243 CA PRO 1060 41. .428 -4. .568 26. .461 1. .00 25. .16 ATOM 3244 CB PRO 1060 39. .998 -4. .422 26. .931 1. ,00 23. .49 ATOM 3245 CG PRO 1060 40. .122 -4. .448 28. .443 1. ,00 26. .03 ATOM 3246 C PRO 1060 41. .767 -3. .632 25. .307 1. ,00 27. .91 ATOM 3247 O PRO 1060 42. .169 -2. .482 25. .523 1. .00 30. .97 ATOM 3248 N ILE 1061 41. .617 -4. .135 24. .085 1. .00 27. .10 ATOM 3249 H ILE 1061 41. .291 -5, .059 24. .000 1. .00 0. .00 ATOM 3250 CA ILE 1061 41. .815 -3. .388 22. .860 1. ,00 22. .55 ATOM 3251 CB ILE 1061 42. .985 -3. .990 22. .042 1. .00 21. .40 ATOM 3252 CG2 ILE 1061 42. .986 -3. .497 20. .593 1. ,00 19. .96 ATOM 3253 CGI ILE 1061 44. .285 -3. .620 22. .748 1. ,00 14. .21 ATOM 3254 CD ILE 1061 45. .456 -4, .517 22. .333 1. ,00 12. .69 ATOM 3255 C ILE 1061 40. .466 -3, .649 22. .221 1. .00 26. .54 ATOM 3256 O ILE 1061 39. .996 -4. .775 22. .014 1. ,00 29. .17 ATOM 3257 N GLU 1062 39. .804 -2. .541 21. .999 1. ,00 30. .58 ATOM 3258 H GLU 1062 40. .243 -1. .681 22. .171 1. ,00 0. .00 ATOM 3259 CA GLU 1062 38. .499 -2. .520 21. .402 1. ,00 32. .23 ATOM 3260 CB GLU 1062 37. .689 -1, .410 22. .034 1. .00 41. .61 ATOM 3261 CG GLU 1062 37, .527 -1, .439 23. .557 1. .00 49, .21 ATOM 3262 CD GLU 1062 36, .164 -1 .951 24. .011 1. .00 58 .98 ATOM 3263 OEI GLU 1062 35, .889 -3 .143 23. .843 1. .00 61 .43 ATOM 3264 OE2 GLU 1062 35, .378 -1 .148 24. .529 1. .00 63 .31 ATOM 3265 C GLU 1062 38, .743 -2 .217 19. .930 1, .00 32 .90 ATOM 3266 O GLU 1062 39 .729 -1 .570 19 .549 1, .00 32 .88 ATOM 3267 N ARG 1063 37 .832 -2 .696 19. .103 1, .00 32 .93 ATOM 3268 H ARG 1063 37 .039 -3 .150 19. .448 1, .00 0 .00 ATOM 3269 CA ARG 1063 37 .857 -2 .429 17 .687 1, .00 35 .42 312 ATOM 3270 CB ARG 1063 37.598 -3.727 16.960 1.00 35.48 ATOM 3271 CG ARG 1063 37.655 -3 .611 15 .450 1 .00 37 .92 ATOM 3272 CD ARG 1063 37.188 -4 .928 14 .870 1 .00 38 .55 ATOM 3273 NE ARG 1063 37.008 -4 .830 13 .432 1 .00 44 .21 ATOM 3274 HE ARG 1063 37.719 -5 .155 12 .841 1 .00 0 .00 ATOM 3275 CZ ARG 1063 35.907 -4 .309 12 .878 1 .00 44 .14 ATOM 3276 NHI ARG 1063 34.898 -3 .837 13 .604 1 .00 46 .11 ATOM 3277 HH11 ARG 1063 34.940 -3 .864 14 .601 1 .00 0 .00 ATOM 3278 HHl2 ARG 1063 34.093 -3 .460 13 .148 1 .00 0 .00 ATOM 3279 NH2 ARG 1063 35.797 -4 .302 11 .555 1 .00 44 .51 ATOM 3280 HH21 ARG 1063 36.523 -4 .696 10 .991 1 .00 0 .00 ATOM 3281 HH22 ARG 1063 34.977 -3 .925 11 .124 1 .00 0 .00 ATOM 3282 C ARG 1063 36.713 -1 .428 17 .503 1 .00 38 .94 ATOM 3283 O ARG 1063 35.627 -1 .620 18 .073 1 .00 38 .58 ATOM 3284 N GLN 1064 36.909 -0 .313 16 .804 1 .00 43 .24 ATOM 3285 H GLN 1064 37.762 -0 .182 16, .341 1, .00 0 .00 ATOM 3286 CA GLN 1064 35.830 0, .639 16, .639 1, .00 46, .48 ATOM 3287 CB GLN 1064 36.352 2, .068 16. .566 1. .00 45. .17 ATOM 3288 CG GLN 1064 36.851 2. .699 17. .853 1. .00 50. .93 ATOM 3289 CD GLN 1064 38.196 2. .187 18. .326 1. .00 51, .83 ATOM 3290 OEI GLN 1064 39.182 2. .160 17. .590 1. .00 56. .19 ATOM 3291 NE2 GLN 1064 38.299 1. .777 19. .573 1. .00 51. .87 ATOM 3292 HE21 GLN 1064 37.505 1. .835 20. .148 1. .00 0. .00 ATOM 3293 HE22 GLN 1064 39.155 1. .420 19. .872 1. ,00 0. .00 ATOM 3294 C GLN 1064 35.088 0. .328 15. .353 1. ,00 51. .07 ATOM 3295 O GLN 1064 35.558 -0. ,469 14. .524 1. 00 52. ,23 ATOM 3296 N LEU 1065 33.918 0. .946 15. .133 1. .00 55. .53 ATOM 3297 H LEU 1065 33.595 1. .616 15. ,766 1. ,00 0. .00 ATOM 3298 CA LEU 1065 33.198 0. ,759 13. ,881 1. 00 57. ,02 ATOM 3299 CB LEU 1065 31.724 1. ,156 13. 984 1. 00 61. ,19 ATOM 3300 CG LEU 1065 30.663 0. 137 13. 534 1. 00 64. 64 ATOM 3301 CDl LEU 1065 29.344 0. 884 13. 414 1. 00 67. 26 ATOM 3302 CD2 LEU 1065 30.997 -0. 502 12. 182 1. 00 66. 64 ATOM 3303 C LEU 1065 33.898 1. 707 12. 925 1. 00 56. ,04 ATOM 3304 O LEU 1065 33.752 2. 930 12. 997 1. 00 55. 83 ATOM 3305 N ASN 1066 34.778 1. 049 12. 172 1. 00 54. 44 ATOM 3306 H ASN 1066 34.903 0. 102 12. 392 1. 00 0. 00 ATOM 3307 CA ASN 1066 35.648 1. 603 11. 142 1. 00 54. 22 ATOM 3308 CB ASN 1066 36.216 3. 006 11. 467 1. 00 55. 90 313 ATOM 3309 CG ASN 1066 36.994 3.104 12.771 1.00 56.20 ATOM 3310 ODI ASN 1066 37.012 2 .166 13 .563 1 .00 58 .50 ATOM 3311 ND2 ASN 1066 37.655 4 .203 13 .086 1 .00 56 .65 ATOM 3312 HD21 ASN 1066 37.613 4 .977 12 .494 1 .00 0 .00 ATOM 3313 HD22 ASN 1066 38.176 4 .166 13 .918 1 .00 0 .00 ATOM 3314 C ASN 1066 36.849 0 .671 11 .002 1 .00 53 .31 ATOM 3315 O ASN 1066 37.506 0 .679 9 .964 1 00 54 .36 ATOM 3316 N GLY 1067 37.187 0 .137 12 .010 1 00 50 .83 ATOM 3317 H GLY 1067 36.761 0 .023 12 .889 1 00 0 .00 ATOM 3318 CA GLY 1067 38.314 1 048 11 901 1 00 48 53 ATOM 3319 C GLY 1067 39.560 0 517 12 601 1 00 47 35 ATOM 3320 O GLY 1067 40.656 1 066 12 421 1 00 49 79 ATOM 3321 N THR 1068 39.470 0 566 13 373 1 00 45 38 ATOM 3322 H THR 1068 38.638 1 064 13 499 1 00 0 00 ATOM 3323 CA THR 1068 40.632 0 976 14 124 1 00 43 80 ATOM 3324 CB THR 1068 40.595 2 519 14 300 1 00 45 85 ATOM 3325 OG1 THR 1068 39.344 2 942 14 840 1 00 47 48 ATOM 3326 HG1 THR 1068 39.235 2 533 15 712 1 00 0 00 ATOM 3327 CG2 THR 1068 40.883 3 172 12 947 1 00 40 16 ATOM 3328 C THR 1068 40.612 0 199 15 446 1 00 42 99 ATOM 3329 O THR 1068 39.592 0 421 15 800 1 00 43 98 ATOM 3330 N TYR 1069 41.743 0 183 16 158 1 00 38 49 ATOM 3331 H TYR 1069 42.458 0 791 15 905 1 00 0 00 ATOM 3332 CA TYR 1069 41.953 0 608 17 359 1 00 33 53 ATOM 3333 CB TYR 1069 42.953 1 740 17 095 1 00 29 74 ATOM 3334 CG TYR 1069 42.345 2 842 16 238 1 00 30 58 ATOM 3335 CDl TYR 1069 42.488 2 831 14 844 1 00 27 87 ATOM 3336 CEI TYR 1069 41.922 3 846 14 074 1 00 27 82 ATOM -3337 CD2 TYR 1069 41.636 3 871 16 859 1 00 28 51 ATOM 3338 CE2 TYR 1069 41.071 4 887 16 093 1 00 27 96 ATOM 3339 CZ TYR 1069 41.217 4 864 14 711 1 00 27 78 ATOM 3340 OH TYR 1069 40.626 5 861 13 973 1 00 33 15 ATOM 3341 HH TYR 1069 39.963 6 295 14 520 1 00 0 00 ATOM 3342 C TYR 1069 42.520 0 307 18 415 1 00 33 52 ATOM 3343 O TYR 1069 43.558 0 946 18 210 1 00 33 .82 ATOM 3344 N ALA 1070 41.900 0 347 19 580 1 00 32 06 ATOM 3345 H ALA 1070 41.151 0 261 19 769 1 00 0 .00 ATOM 3346 CA ALA 1070 42.324 1 263 20 603 1 00 28 04 ATOM 3347 CB ALA 1070 41.605 2 580 20 437 1 00 26 29 314 ATOM 3348 C ALA 1070 41.992 0.722 21.976 1.00 27.69 ATOM 3349 O ALA 1070 40.919 0.153 22.184 1.00 29.45 ATOM 3350 N ILE 1071 42.935 0.860 22.905 1.00 26.64 ATOM 3351 H ILE 1071 4 433. .777799 1 .277 22 .641 1 .00 0 .00 ATOM 3352 CA ILE 1071 4 422. .770099 0 .579 24 .313 1 .00 27 .04 ATOM 3353 CB ILE 1071 4 444. .003322 0 .635 25 .117 1 .00 25 .62 ATOM 3354 CG2 ILE 1071 4 433. .773300 0 .441 26 .608 1 .00 25 .21 ATOM 3355 CGI ILE 1071 4 455. .000033 -0 .438 24 .603 1 .00 26 .34 ATOM 3356 CD ILE 1071 46 .364 -0 .464 25 .318 1 .00 23 .97 ATOM 3357 C ILE 1071 41 .806 1 .739 24 .694 1 .00 31 .25 ATOM 3358 O ILE 1071 42 .087 2 .874 24 .292 1 .00 35 .46 ATOM 3359 N ALA 1072 40 .711 1 .527 25 .413 1. .00 38 .50 ATOM 3360 H ALA 1072 40 .567 0 .631 25 .776 1 .00 0 .00 ATOM 3361 CA ALA 1072 39 .775 2 .603 25 .750 1 .00 43 .90 ATOM 3362 CB ALA 1072 38 .653 2 .053 26 .636 1, .00 44 .68 ATOM 3363 C ALA 1072 40 .407 3, .805 26 .464 1, .00 45, .61 ATOM 3364 0 ALA 1072 41 .009 3, .680 27 .536 1. .00 45, .17 ATOM 3365 N GLY 1073 40, .290 4, .959 25, .796 1. .00 46. .20 ATOM 3366 H GLY 1073 39 .880 4. .931 24, .912 1. .00 0. .00 ATOM 3367 CA GLY 1073 40, .820 6. .231 26. .267 1. .00 44. .42 ATOM 3368 C GLY 1073 42, .222 6. .531 25. .730 1. .00 43. .18 ATOM 3369 O GLY 1073 42, .806 7. .578 26. .027 1. .00 46. .40 ATOM 3370 N GLY 1074 42, .812 5. .634 24. .947 1. .00 39. .43 ATOM 3371 H GLY 1074 42, .335 4. .822 24. .678 1. .00 0. .00 ATOM 3372 CA GLY 1074 44. .139 5. .851 24. .424 X. .00 34. .46 ATOM 3373 C GLY 1074 44. .037 6. .104 22. .947 1 • .00 34. .61 ATOM 3374 O GLY 1074 42. .964 6. .354 22. .378 1. ,00 36. .50 ATOM 3375 N LYS 1075 45. .187 5. .951 22. .314 1. ,00 37. ,26 ATOM 3376 H LYS 1075 45. .948 5. .572 22. ,802 1. 00 0. ,00 ATOM 3377 CA LYS 1075 45. .300 6. .215 20. ,896 1. 00 39. ,16 ATOM 3378 CB LYS 1075 46. .760 6. ,409 20. ,566 1. 00 42. ,86 ATOM 3379 CG LYS 1075 47. .012 7. ,475 19. ,510 1. 00 45. ,51 ATOM 3380 CD LYS 1075 48. .403 8. ,077 19. 775 1. 00 51. ,14 ATOM 3381 CE LYS 1075 48. .647 8. 663 21. ,198 1. 00 48. ,74 ATOM 3382 NZ LYS 1075 47. .819 9. 817 21. 511 1. 00 46. 00 ATOM 3383 HZ1 LYS 1075 46. ,818 9. 539 21. 522 1. 00 0. 00 ATOM 3384 HZ2 LYS 1075 47. .969 10. 554 20. 793 1. 00 0. 00 ATOM 3385 HZ3 LYS 1075 48. ,087 10. 187 22. 444 1. 00 0. 00 ATOM 3386 C LYS 1075 44. ,719 5. 125 20. 005 1. 00 40. 24 - 315 ATOM 3387 O LYS 1075 44.968 3.916 20.185 1.00 37.79 ATOM 3388 N ALA 1076 43 .983 5 .616 19 .003 1 .00 40 .40 ATOM 3389 H ALA 1076 43 .867 6 .585 18 .930 1 .00 0 .00 ATOM 3390 CA ALA 1076 43 .411 4 .772 17 .969 1 .00 39 .60 ATOM 3391 CB ALA 1076 42 .390 5 .517 17 .112 1 .00 40 .11 ATOM 3392 C ALA 1076 44 .577 4 .383 17 .084 1 .00 38 .92 ATOM 3393 O ALA 1076 45 .597 5 .070 16 .985 1 .00 40 .33 ATOM 3394 N HIS 1077 44 .485 3. .196 16 .522 1 .00 39 .15 ATOM 3395 H HIS 1077 43 .653 2. .682 16 .622 1 .00 0 .00 ATOM 3396 CA HIS 1077 45 .516 2. .622 15, .693 1 .00 41 .38 ATOM 3397 CB HIS 1077 46, .386 1 .682 16, .493 1, .00 38, .84 ATOM 3398 CG HIS 1077 47, .188 2, .367 17, .574 1, .00 37, .80 ATOM 3399 CD2 HIS 1077 48. .402 2, .946 17. .353 1, .00 37, .54 ATOM 3400 NDI HIS 1077 46, .898 2, .502 18. .866 1, .00 41. .89 ATOM 3401 HD1 HIS 1077 46. .011 2, .402 19. .292 1. .00 0. .00 ATOM 3402 CEI HIS 1077 47. .889 3. .129 19. .438 1. .00 40. .69 ATOM 3403 NE2 HIS 1077 48. .786 3. .391 18. .517 1. .00 42. .21 ATOM 3404 HE2 HIS 1077 49. .577 3. .946 18. .657 1. .00 0. .00 ATOM 3405 C HIS 1077 44. .771 1. .821 14. .644 1. .00 44. .66 ATOM 3406 O HIS 1077 43. .544 1. .699 14. .698 1. .00 43. .75 ATOM 3407 N CYS 1078 45. .467 1. .272 13. .664 1. .00 49. .78 ATOM 3408 H CYS 1078 46. .439 1. .382 13. .603 1. .00 0. .00 ATOM 3409 CA CYS 1078 44. .853 0. .414 12. .666 1. .00 54. .24 ATOM 3410 CB CYS 1078 45. .069 0. .998 11. .256 1. .00 58. .19 ATOM 3411 SG CYS 1078 44. .397 2. .671 11. .011 1. .00 71. .36 ATOM 3412 C CYS 1078 45. .693 -0. .832 12. .890 1. .00 51. .82 ATOM 3413 O CYS 1078 46. .927 -0. .752 12. .852 1. .00 55. .71 ATOM 3414 N GLY 1079 45. .083 -1. .969 13. .190 1. .00 47. .69 ATOM 3415 H GLY 1079 44. .104 -1. .984 13. .206 1. .00 0. .00 ATOM 3416 CA GLY 1079 45. .849 -3. .185 13. .436 1. .00 43. .67 ATOM 3417 C GLY 1079 46. .508 -3. .249 14. .823 1. ,00 40. .20 ATOM 3418 O GLY 1079 47. .123 -2. .286 15. .309 1. .00 40. .36 ATOM 3419 N PRO 1080 46. .431 -4. .401 15. .503 1. .00 37. .25 ATOM 3420 CD PRO 1080 45. .738 -5. .599 15. .044 1. .00 36. .81 ATOM 3421 CA PRO 1080 47. .049 -4. .627 16. .812 1. .00 34. .51 ATOM 3422 C3 PRO 1080 46. .520 -5. .965 17. .245 1. .00 35. .28 ATOM 3423 CG PRO 1080 46. .349 -6. .680 15. .921 1. .00 37. .15 ATOM 3424 C PRO 1080 48. .559 -4. .583 16. .707 1. .00 31. .54 ATOM 3425 O PRO 1080 49. .245 -4. .177 17. .651 1. .00 31. .30 - 316 ATOM 3426 N ALA 1081 49.084 -4.958 15.528 1.00 30.26 ATOM 3427 H ALA 1081 48 .480 -5 .268 14 .829 1 .00 0 .00 ATOM 3428 CA ALA 1081 50 .515 -4 .940 15 .256 1 .00 30 .04 ATOM 3429 CB ALA 1081 50 .778 -5 .435 13 .827 1 .00 29 .58 ATOM 3430 C ALA 1081 51 .109 -3 .545 15 .416 1 .00 30 .25 ATOM 3431 O ALA 1081 52 .098 -3 .360 16 .136 1 .00 31 .27 ATOM 3432 N GLU 1082 50 .462 -2 .534 14 .822 1 .00 32 .52 ATOM 3433 H GLU 1082 49 .612 -2 .707 14 .365 1 .00 0 .00 ATOM 3434 CA GLU 1082 50 .923 -1 .146 14 .906 1 .00 31 .86 ATOM 3435 CB GLU 1082 50 .117 -0 .257 13 .961 1 .00 33 .49 ATOM 3436 CG GLU 1082 50, .445 -0 .415 12, .480 1 .00 34, .68 ATOM 3437 CD GLU 1082 50 .414 -1 .848 11 .968 1 .00 38 .35 ATOM 3438 OEI GLU 1082 49, .335 -2, .445 11. .933 1 .00 38. .71 ATOM 3439 OE2 GLU 1082 51, .485 -2, .364 11, .638 1, .00 41, .55 ATOM 3440 C GLU 1082 50. .755 -0, .649 16, .328 1, .00 29. .07 ATOM 3441 O GLU 1082 51. .671 -0. .026 16. .874 1. .00 28. .55 ATOM 3442 N LEU 1083 49. .605 -0, .991 16, .942 1, .00 27. .23 ATOM 3443 H LEU 1083 48. .939 -1. .519 16. .448 1. .00 0. .00 ATOM 3444 CA LEU 1083 49. .329 -0. .592 18. .309 1. .00 26. .74 ATOM 3445 CB LEU 1083 48. .008 -1. .212 18. .799 1. .00 25. .43 ATOM 3446 CG LEU 1083 47. .531 -0. .830 20. .215 1. .00 21. .57 ATOM 3447 CDl LEU 1083 46. .038 -0. .643 20. .202 1. .00 20. .84 ATOM 3448 CD2 LEU 1083 47. .943 -1. .898 21. .226 1. .00 19. .23 ATOM 3449 C LEU 1083 50. .466 -0. .996 19. .227 1. .00 29. .37 ATOM 3450 O LEU 1083 50. .966 -0. ,135 19. .966 1. .00 31. ,06 ATOM 3451 N CYS 1084 50. .930 -2. .252 19. .124 1. .00 32. .62 ATOM 3452 H CYS 1084 50. .514 -2. .867 18. .482 1. .00 0. .00 ATOM 3453 CA CYS 1084 51. ,988 -2. .721 20. .002 1. ,00 31. .81 ATOM 3454 CB CYS 1084 52. ,242 -4. .221 19. ,865 1. ,00 31. ,52 ATOM 3455 SG CYS 1084 50. ,901 -5. 192 20. 592 1. ,00 29. ,87 ATOM 3456 C CYS 1084 53. ,283 -2. .018 19. ,722 1. ,00 31. ,85 ATOM 3457 O CYS 1084 53. ,989 -1. .702 20. 679 1. ,00 31. ,54 ATOM 3458 N GLU 1085 53. 588 -1. 719 18. 447 1. ,00 33. ,95 ATOM 3459 H GLU 1085 52. 937 -1. 899 17. 737 1. 00 0. ,00 ATOM 3460 CA GLU 1085 54. ,856 -1. ,083 18. ,105 1. ,00 35. ,05 ATOM 3461 CB GLU 1085 55. ,035 -0. 981 16. ,595 1. 00 40. ,13 ATOM 3462 CG GLU 1085 56. 513 -1. 026 16. ,217 1. 00 49. ,97 ATOM 3463 CD GLU 1085 56. 801 -0. 768 14. 736 1. 00 60. 29 ATOM 3464 OEI GLU 1085 57. 850 -0. 176 14. 444 1. 00 68. 30 317 ATOM 3465 OE2 GLU 1085 55.991 •1.138 13.874 1.00 62.08 ATOM 3466 C GLU 1085 54.869 0 .306 18 .701 1 .00 32 .52 ATOM 3467 O GLU 1085 55.861 0 .678 19 .333 1 .00 33 .29 ATOM 3468 N PHE 1086 53.721 1 .005 18 .599 1 .00 31 .71 ATOM 3469 H PHE 1086 52.970 0 .583 18 .135 1 .00 0 .00 ATOM 3470 CA PHE 1086 53.545 2 .341 19 .136 1 .00 31 .07 ATOM 3471 CB PHE 1086 52.090 2 .777 18 .895 1, .00 29 .64 ATOM 3472 CG PHE 1086 51.772 4 .100 19 .578 1, .00 34 .51 ATOM 3473 CDl PHE 1086 52.277 5, .298 19 .057 1, .00 38. .20 ATOM 3474 CD2 PHE 1086 51.030 4, .112 20 .770 1, .00 37. .01 ATOM 3475 CEI PHE 1086 52.045 6, .494 19, .739 1. .00 37, .34 ATOM 3476 CE2 PHE 1086 50.798 5, .308 21, .451 1. .00 33, .21 ATOM 3477 CZ PHE 1086 51.308 6, .495 20, .934 1. .00 39. .15 ATOM 3478 C PHE 1086 53.901 2, .373 20. .627 1. .00 32, .70 ATOM 3479 O PHE 1086 54.661 3. .239 21, .084 1. .00 36, .52 ATOM 3480 N TYR 1087 53.396 1. .415 21. .399 1. .00 32. .45 ATOM 3481 H TYR 1087 52.828 0. .726 20. .994 1. .00 0. .00 ATOM 3482 CA TYR 1087 53.662 1. .372 22. .824 1. ,00 28. .99 ATOM 3483 CB TYR 1087 52.527 0. .572 23. .476 1. ,00 29. .23 ATOM 3484 CG TYR 1087 51.192 1. .346 23. .507 1. .00 28. .38 ATOM 3485 CDl TYR 1087 50.221 1. .141 22. .520 1. ,00 28. .31 ATOM 3486 CEI TYR 1087 49.005 1. .835 22. .550 1. ,00 26. .26 ATOM 3487 CD2 TYR 1087 50.924 2. .266 24. .538 1. ,00 29. .02 ATOM 3488 CE2 TYR 1087 49.703 2. .963 24. .572 1. ,00 24. .57 ATOM 3489 CZ TYR 1087 48.746 2. .744 23. .580 1. ,00 26. .40 ATOM 3490 OH TYR 1087 47.531 3. .426 23. .619 1. ,00 26. .78 ATOM 3491 HH TYR 1087 47.453 3. .794 24. .512 1. .00 0. .00 ATOM 3492 C TYR 1087 55.036 0. .814 23. .165 1. ,00 30. .34 ATOM 3493 O TYR 1087 55.537 0. .983 24. .290 1. ,00 30. .02 ATOM 3494 N SER 1088 55.716 0. .129 22. .241 1. .00 33. .87 ATOM 3495 H SER 1088 55.266 0. .198 21. .430 1. .00 0. .00 ATOM 3496 CA SER 1088 57.099 0. .270 22. .439 1. .00 37. .71 ATOM 3497 CB SER 1088 57.538 1. .150 21. .271 1. .00 40. .54 ATOM 3498 OG SER 1088 56.747 2. .337 21. .159 1. .00 40, .91 ATOM 3499 HG SER 1088 57.236 3. .023 21. .637 1. .00 0, .00 ATOM 3500 C SER 1088 57.985 0. .978 22. .531 1. .00 41, .25 ATOM 3501 O SER 1088 59.047 0. .995 23. .183 1. .00 38, .81 ATOM 3502 N ARG 1089 57.570 2. .047 21. .843 1. .00 44, .94 ATOM 3503 H ARG 1089 56.773 1. .973 21. .274 1. .00 0 .00 - 318 ATOM 3504 CA ARG 1089 58.272 3.314 21.934 1.00 48.42 ATOM 3505 CB ARG 1089 58 .161 4 .166 20 .656 1 .00 49 .53 ATOM 3506 CG ARG 1089 58 .895 3 .689 19 .410 1 .00 47 .71 ATOM 3507 CD ARG 1089 58 .041 2 .725 18 .614 1 .00 48 .46 ATOM 3508 NE ARG 1089 56 .856 3 .372 18 .072 1 .00 51 .23 ATOM 3509 HE ARG 1089 56 .280 3 .894 18 .668 1 .00 0 .00 ATOM 3510 CZ ARG 1089 56 .517 3 .268 16 .778 1 .00 54 .05 ATOM 3511 NHI ARG 1089 57 .265 2 .560 15 .912 1 .00 52 .77 ATOM 3512 HH11 ARG 1089 58 .098 2 .101 16 .219 1 .00 0 .00 ATOM 3513 HH12 ARG 1089 56 .995 2 .514 14 .951 1 .00 0 .00 ATOM 3514 NH2 ARG 1089 55 .391 3 .865 16 .355 1 .00 50 .10 ATOM 3515 HH21 ARG 1089 54 .825 4 .373 17 .002 1 .00 0 .00 ATOM 3516 HH22 ARG 1089 55 .130 3. .814 15 .391 1, .00 0, .00 ATOM 3517 C ARG 1089 57 .655 4. .107 23 .072 1, .00 48, .92 ATOM 3518 O ARG 1089 58, .270 4. .220 24 .138 1, .00 49, .60 ATOM 3519 N ASP 1090 56, .422 4. .580 22, .877 1. .00 50, .51 ATOM 3520 H ASP 1090 55 .905 4, .297 22 .092 1, .00 0, .00 ATOM 3521 CA ASP 1090 55 .753 5. .447 23 .834 1, .00 55, .15 ATOM 3522 CB ASP 1090 55, .177 6. .659 23, .071 1. .00 56. .05 ATOM 3523 CG ASP 1090 54, .281 7. .584 23, .889 1. .00 55. .59 ATOM 3524 ODI ASP 1090 53. .104 7. .678 23. .550 1. .00 57. .02 ATOM 3525 OD2 ASP 1090 54. .748 8. .189 24, .854 1. .00 57. .74 ATOM 3526 C ASP 1090 54. .653 4. .774 24. .659 1. .00 55. .94 ATOM 3527 O ASP 1090 53. .592 4. .432 24. .115 1. ,00 55. .42 ATOM 3528 N PRO 1091 54. .835 4. .624 25. .984 1. ,00 55. .78 ATOM 3529 CD PRO 1091 56. .135 4. ,706 26. .655 1. ,00 55. .19 ATOM 3530 CA PRO 1091 53. .801 4. ,154 26. .897 1. 00 55. .95 ATOM 3531 CB PRO 1091 54. .598 3. ,706 28. .114 1. 00 56. ,04 ATOM 3532 CG PRO 1091 55. .792 4. ,624 28. ,138 1. 00 55. ,88 ATOM 3533 C PRO 1091 52. .688 5. 146 27. ,220 1. 00 56. 97 ATOM 3534 O PRO 1091 52. .486 5. ,489 28. .389 1. ,00 57. .39 ATOM 3535 N ASP 1092 51. .933 5. ,654 26. ,238 1. 00 58. .63 ATOM 3536 H ASP 1092 52. .090 5. ,339 25. ,318 1. 00 0. ,00 ATOM 3537 CA ASP 1092 50. ,820 6. 556 26. ,519 1. 00 58. ,70 ATOM 3538 CB ASP 1092 50. ,155 7. 027 25. ,210 1. 00 63. ,88 ATOM 3539 CG ASP 1092 48. ,815 7. 764 25. ,350 1. 00 70. 81 ATOM 3540 ODI ASP 1092 47. .831 7. 289 24. 774 1. 00 74. 91 ATOM 3541 OD2 ASP 1092 48. 747 8. 794 26. 029 1. 00 70. 73 ATOM 3542 C ASP 1092 49. 792 5. 826 27. 385 1. 00 57. 19 - 319 ATOM 3543 O ASP 1092 48.978 5.011 26.942 1.00 56.76 ATOM 3544 N GLY 1093 49 .932 6 .112 28 .666 1 .00 55 .12 ATOM 3545 H GLY 1093 50 .717 6 .617 28 .959 1 .00 0 .00 ATOM 3546 CA GLY 1093 49 .040 5 .583 29 .665 1 .00 53 .01 ATOM 3547 C GLY 1093 49 .403 4 .161 30 .026 1 .00 48 .92 ATOM 3548 O GLY 1093 48 .533 3 .358 30 .361 1 .00 52 .72 ATOM 3549 N LEU 1094 50 .665 3 .777 29 .993 1 .00 45 .02 ATOM 3550 H LEU 1094 51 .386 4 .424 29 .840 1 .00 0 .00 ATOM 3551 CA LEU 1094 50 .984 2 .413 30 .331 1 .00 40 .34 ATOM 3552 CB LEU 1094 51 .649 1 .749 29 .132 1 .00 38 .94 ATOM 3553 CG LEU 1094 50 .921 0 .611 28 .409 1 .00 36 .60 ATOM 3554 CDl LEU 1094 49 .570 1 .068 27 .871 1 .00 31 .39 ATOM 3555 CD2 LEU 1094 51, .824 0 .120 27 .283 1, .00 37 .39 ATOM 3556 C LEU 1094 51, .880 2, .366 31 .555 1, .00 39 .95 ATOM 3557 O LEU 1094 52, .543 3, .351 31 .881 1, .00 39. .55 ATOM 3558 N PRO 1095 51. .866 1. .249 32, .290 1. .00 40, .07 ATOM 3559 CD PRO 1095 50. .737 0. .328 32, .367 1. .00 42. .05 ATOM 3560 CA PRO 1095 52. .888 0. .848 33. .241 1. .00 41. .65 ATOM 3561 CB PRO 1095 52. .491 0. .578 33, .571 1. .00 41. .38 ATOM 3562 CG PRO 1095 50. .991 0. .476 33. .630 1. .00 41. .02 ATOM 3563 C PRO 1095 54. .342 0. .990 32. .799 1. .00 42. .06 ATOM 3564 O PRO 1095 55. .202 1. .307 33. .630 1. .00 45. .34 ATOM 3565 N CYS 1096 54. ,666 0. .605 31. .565 1. ,00 40. .67 ATOM 3566 H CYS 1096 53. ,997 0. .185 30. .981 1. ,00 0. .00 ATOM 3567 CA CYS 1096 55. 982 0. .797 30. .961 1. 00 38. ,40 ATOM 3568 CB CYS 1096 57. 041 0. 184 31. ,463 1. 00 39. ,77 ATOM 3569 SG CYS 1096 56. 640 1. 942 31. ,408 1. 00 39. ,49 ATOM 3570 C CYS 1096 55. 800 0. .558 29. ,486 1. .00 37. .14 ATOM 3571 O CYS 1096 54. 686 0. ,204 29. .075 1. .00 36. .74 ATOM 3572 N ASN 1097 56. 824 0. ,800 28. ,670 1. 00 37. .32 ATOM 3573 H ASN 1097 57. 719 0. ,997 29. ,013 1. 00 0. .00 ATOM 3574 CA ASN 1097 56. 696 0. 535 27. ,245 1. 00 36. .40 ATOM 3575 CB ASN 1097 57. 775 1. 260 26. ,443 1. 00 33. ,25 ATOM 3576 CG ASN 1097 59. 179 0. 822 26. ,788 1. 00 32. ,16 ATOM 3577 ODI ASN 1097 59. 559 0. 769 27. 957 1. 00 34. ,46 ATOM 3578 ND2 ASN 1097 59. 996 0. 486 25. 810 1. 00 35. ,25 ATOM 3579 HD21 ASN 1097 59. 662 0. 517 24. 892 1. 00 0. 00 ATOM 3580 HD22 ASN 1097 60. 893 0. ,203 26. ,064 1. 00 0. ,00 ATOM 3581 C ASN 1097 56. 843 0. 968 27. ,051 1. 00 38. ,24 320 - ATOM 3582 O ASN 1097 57.278 -1.726 27.938 1.00 40.46 ATOM 3583 N LEU 1098 56 .431 -1 .443 25 .886 1 .00 35 .38 ATOM 3584 H LEU 1098 56 .119 -0 .821 25 .196 1 .00 0 .00 ATOM 3585 CA LEU 1098 56 .504 -2 .861 25 .619 1 .00 30 .02 ATOM 3586 CB LEU 1098 55 .537 -3 .194 24 .494 1 .00 29 .07 ATOM 3587 CG LEU 1098 54 .094 -2 .729 24 .669 1 .00 26 .84 ATOM 3588 CDl LEU 1098 53 .306 -3 .185 23 .475 1 .00 27 .25 ATOM 3589 CD2 LEU 1098 53 .496 -3 .273 25 .960 1 .00 31 .57 ATOM 3590 C LEU 1098 57 .941 -3 .103 25 .237 1 .00 29 .99 ATOM 3591 0 LEU 1098 58 .515 -2 .385 24 .418 1 .00 30 .27 ATOM 3592 N ARG 1099 58 .565 -4 .056 25 .901 1 .00 32 .01 ATOM 3593 H ARG 1099 58 .053 -4 .563 26 .551 1. .00 0 .00 ATOM 3594 CA ARG 1099 59 .951 -4 .369 25 .656 1 .00 33 .13 ATOM 3595 CB ARG 1099 60 .768 -4 .250 26 .964 1, .00 33, .84 ATOM 3596 CG ARG 1099 60 .776 -2, .845 27, .586 1. .00 37, .15 ATOM 3597 CD ARG 1099 61, .588 -2, .775 28, .889 1. .00 42. .03 ATOM 3598 NE ARG 1099 61 .307 -1. .550 29, .650 1. .00 45, .59 ATOM 3599 HE ARG 1099 60 .933 -0. .777 29, .176 1. .00 0, .00 ATOM 3600 CZ ARG 1099 61, .545 -1, .435 30, .972 1. .00 44. .75 ATOM 3601 NHI ARG 1099 62. .068 -2. .432 31. .691 1. .00 47. .19 ATOM 3602 HH11 ARG 1099 62. .294 -3, .306 31. .262 1. .00 0. .00 ATOM 3603 HHl2 ARG 1099 62. .221 -2. .304 32. .670 1. .00 0. .00 ATOM 3604 NH2 ARG 1099 61. .216 -0. .312 31. .612 1. .00 41. .73 ATOM 3605 HH21 ARG 1099 60. .796 0. .443 31. .108 1. .00 0. .00 ATOM 3606 HH22 ARG 1099 61. .379 -0. .226 32. .594 1. .00 0. ,00 ATOM 3607 C ARG 1099 60. .063 -5. ,778 25. ,093 1. 00 35. ,07 ATOM 3608 O ARG 1099 60. ,240 -5. ,942 23. ,881 1. 00 35. ,29 ATOM 3609 N LYS 1100 59. ,891 -6. 841 25. 868 1. 00 34. ,71 ATOM 3610 H LYS 1100 59. 427 -6. 750 26. 727 1. 00 0. 00 ATOM 3611 CA LYS 1100 60. 158 -8. 157 25. 324 1. 00 37. 09 ATOM 3612 CB LYS 1100 60. 795 -9. 008 26. 411 1. 00 42. ,93 ATOM 3613 CG LYS 1100 61. ,296 -10. 344 25. 868 1. 00 53. ,06 ATOM 3614 CD LYS 1100 61. 978 -11. 153 26. 969 1. 00 57. 15 ATOM 3615 CE LYS 1100 62. 305 -12. 569 26. 488 1. 00 61. 71 ATOM 3616 NZ LYS 1100 61. 103 -13. 374 26. 322 1. 00 65. 62 ATOM 3617 HZ1 LYS 1100 60. 468 -12. 912 25. 642 1. 00 0. 00 ATOM 3618 HZ2 LYS 1100 60. 623 -13. 472 27. 240 1. 00 0. 00 ATOM 3619 HZ3 LYS 1100 61. 370 -14. 316 25. 969 1. 00 0. 00 ATOM 3620 C LYS 1100 58. 848 -8. 765 24. 833 1. 00 37. 79 321 - ATOM 3621 O LYS 1100 57.914 -8.899 25.637 1.00 39.77 ATOM 3622 N PRO 1101 58 .672 -9 .097 23 .543 1 .00 34 .56 ATOM 3623 CD PRO 1101 59 .557 -8 .728 22 .448 1 .00 32 .70 ATOM 3624 CA PRO 1101 57 .514 -9 .832 23 .050 1 .00 33 .16 ATOM 3625 CB PRO 1101 57 .701 -9 .840 21 .556 1 .00 34 .82 ATOM 3626 CG PRO 1101 58 .594 -8 .657 21 .285 1 .00 34 .87 ATOM 3627 C PRO 1101 57 .539 -11 .213 23 .683 1 .00 30, .83 ATOM 3628 O PRO 1101 58 .573 -11 .890 23 .614 1 .00 33 .53 ATOM 3629 N CYS 1102 56 .480 -11 .707 24 .317 1 .00 29, .51 ATOM 3630 H CYS 1102 55, .634 -11, .216 24 .333 1 .00 0, .00 ATOM 3631 CA CYS 1102 56, .534 -13 .050 24 .891 1, .00 27, .74 ATOM 3632 CB CYS 1102 55, .525 -13, .239 26 .041 1, .00 24. .93 ATOM 3633 SG CYS 1102 55, .550 -14, .875 26 .838 1, .00 25. .54 ATOM 3634 C CYS 1102 56, .120 -13, .868 23 .679 1, .00 28. .20 ATOM 3635 O CYS 1102 54, .939 -14, .057 23 .356 1, .00 24. .55 ATOM 3636 N ASN 1103 57, .153 -14, .223 22, .921 1, .00 25. .01 ATOM 3637 H ASN 1103 58. .060 -13. .985 23. .213 1. .00 0. .00 ATOM 3638 CA ASN 1103 56. .945 -14. .999 21. .730 1. .00 27. .34 ATOM 3639 CB ASN 1103 58. .160 -14. .805 20, .822 1. .00 25. .34 ATOM 3640 CG ASN 1103 58. .030 -13. .536 19. .974 1. .00 24. .69 ATOM 3641 ODI ASN 1103 58. .871 -13. .209 19. .144 1. ,00 31. .34 ATOM 3642 ND2 ASN 1103 57. .000 -12. .709 20. .053 1. .00 27. .90 ATOM 3643 HD21 ASN 1103 56. .232 -12. ,920 20. .617 1. .00 0. .00 ATOM 3644 HD22 ASN 1103 57. .117 -11. .875 19. .552 1. .00 0. .00 ATOM 3645 C ASN 1103 56. .668 -16. .460 22. .044 1. .00 27. .74 ATOM 3646 O ASN 1103 57. .148 -17. ,042 23. .027 1. .00 27. ,94 ATOM 3647 N ARG 1104 55. .745 -16. .955 21. .217 1. .00 26. .87 ATOM 3648 H ARG 1104 55. .445 -16. .404 20. .468 1. .00 0. .00 ATOM 3649 CA ARG 1104 55. .177 -18. .280 21. .333 1. .00 26. .33 ATOM 3650 CB ARG 1104 54. .266 -18. .536 20. .161 1. .00 24. .23 ATOM 3651 CG ARG 1104 52. .888 -18. ,950 20. .569 1. ,00 25. ,72 ATOM 3652 CD ARG 1104 51. .989 -19. ,095 19. .367 1. ,00 24. .23 ATOM 3653 NE ARG 1104 51. .863 -17. ,832 18. .700 1. ,00 24. .12 ATOM 3654 HE ARG 1104 51. ,489 -17. ,084 19. .203 1. .00 0. .00 ATOM 3655 CZ ARG 1104 52. .257 -17. .629 17. .447 1. .00 24. .35 ATOM 3656 NHI ARG 1104 52. .803 -18. .572 16. .669 1. .00 22. .87 ATOM 3657 HH11 ARG 1104 52. .937 -19. .496 17. .023 1. .00 0. .00 ATOM 3658 HHl2 ARG 1104 53. .075 -18. .349 15. .734 1. .00 0. .00 ATOM 3659 NH2 ARG 1104 52. .098 -16. .401 16. .999 1. .00 26. .96 322 ATOM 3660 HH21 ARG 1104 51.687 -15.710 17.595 1.00 0.00 ATOM 3661 HH22 ARG 1104 52 .368 -16 .154 16 .074 1 .00 0 .00 ATOM 3662 C ARG 1104 56 .248 -19 .341 21 .367 1 .00 25 .95 ATOM 3663 O ARG 1104 57 .056 -19 .403 20 .438 1 .00 25 .69 ATOM 3664 N PRO 1105 56 .321 -20 .176 22 .403 1 .00 26 .74 ATOM 3665 CD PRO 1105 55 .548 -20 .058 23 .635 1 .00 29 .26 ATOM 3666 CA PRO 1105 57 .209 -21 .331 22 .426 1 .00 32 .94 ATOM 3667 CB PRO 1105 56 .899 -21 .986 23 .770 1 .00 28 .93 ATOM 3668 CG PRO 1105 55 .515 -21 .495 24 .134 1 .00 30 .42 ATOM 3669 C PRO 1105 56 .960 -22 .209 21 .197 1 .00 38 .12 ATOM 3670 O PRO 1105 55 .865 -22 .738 21 .004 1 .00 38 .58 ATOM 3671 N SER 1106 57 .945 -22 .269 20 .306 1 .00 43 .86 ATOM 3672 H SER 1106 58 .734 -21 .704 20 .434 1. .00 0 .00 ATOM 3673 CA SER 1106 57 .886 -23 .014 19 .058 1 .00 49 .42 ATOM 3674 CB SER 1106 59, .331 -23 .177 18 .574 1. .00 51. .93 ATOM 3675 OG SER 1106 59, .964 -21, .896 18 .565 1. .00 55. .67 ATOM 3676 HG SER 1106 60. .814 -21. .945 18. .119 1. .00 0. .00 ATOM 3677 C SER 1106 57. .161 -24. .356 19, .157 1. .00 49. .17 ATOM 3678 O SER 1106 57, .443 -25. .230 19, .979 1. .00 51. .15 ATOM 3679 N GLY 1107 56. .127 -24. .464 18, .336 1. .00 47. .64 ATOM 3680 H GLY 1107 55. .849 -23. .683 17, .814 1. .00 0. .00 ATOM 3681 CA GLY 1107 55. .285 -25. .640 18. .361 1. .00 43. .01 ATOM 3682 C GLY 1107 53. .901 -25. .219 18. .826 1. .00 39. .30 ATOM 3683 O GLY 1107 52. .903 -25. .817 18. .411 1. .00 42. .80 ATOM 3684 N LEU 1108 53. ,845 -24. ,188 19. .667 1. 00 30. ,41 ATOM 3685 H LEU 1108 54. ,668 -23. ,763 19. .977 1. 00 0. ,00 ATOM 3686 CA LEU 1108 52. ,603 -23. ,628 20. ,133 1. 00 24. ,96 ATOM 3687 CB LEU 1108 52. ,839 -22. .863 21. .434 1. .00 25. .86 ATOM 3688 CG LEU 1108 51. ,627 -22. .255 22. .107 1. 00 26. ,69 ATOM 3689 CDl LEU 1108 50. 821 -23. .356 22. ,737 1. 00 30. 10 ATOM 3690 CD2 LEU 1108 52. 036 -21. 299 23. 185 1. 00 29. 77 ATOM 3691 C LEU 1108 52. 108 -22. 688 19. 037 1. 00 19. 07 ATOM 3692 O LEU 1108 52. 868 -21. 897 18. 471 1. 00 19. 17 ATOM 3693 N GLU 1109 50. 829 -22. 822 18. 731 1. 00 11. 01 ATOM 3694 H GLU 1109 50. 292 -23. 421 19. 287 1. 00 0. 00 ATOM 3695 CA GLU 1109 50. 141 -22. 052 17. 715 1. 00 13. 68 ATOM 3696 CB GLU 1109 49. 349 -22. 970 16. 765 1. 00 15. 71 ATOM 3697 CG GLU 1109 50. 244 -23. 684 15. 754 1. 00 3. 36 ATOM 3698 CD GLU 1109 50. 907 -22. 718 14. 771 1. 00 14. 34 - 323 ATOM 3699 OEI GLU 1109 52.127 -22.779 14.666 1.00 14.12 ATOM 3700 OE2 GLU 1109 50 .226 -21 .925 14 .101 1 .00 18 .46 ATOM 3701 C GLU 1109 49 .168 -21 .137 18 .425 1 .00 15 .87 ATOM 3702 O GLU 1109 48 .936 -21 .367 19 .623 1 .00 17 .90 ATOM 3703 N PRO 1110 48 .573 -20 .099 17 .794 1 .00 12 .87 ATOM 3704 CD PRO 1110 49 .101 -19 .362 16 .640 1 .00 0 .54 ATOM 3705 CA PRO 1110 47 .375 -19 .456 18 .309 1 .00 10 .18 ATOM 3706 CB PRO 1110 47 .003 -18 .460 17 .242 1, .00 11 .89 ATOM 3707 CG PRO 1110 48 .342 -18 .025 16 .680 1, .00 12, .40 ATOM 3708 C PRO 1110 46 .311 -20 .503 18 .583 1 .00 13 .76 ATOM 3709 O PRO 1110 46 .240 -21 .529 17 .895 1, .00 18, .10 ATOM 3710 N GLN llll 45, .539 -20, .283 19, .648 1, .00 14, .71 ATOM 3711 H GLN llll 45, .659 -19, .457 20, .161 1. .00 0, .00 ATOM 3712 CA GLN llll 44, .477 -21, .190 20, .058 1. .00 17, .01 ATOM 3713 CB GLN llll 44. .351 -21. .103 21. .584 1. .00 18, .38 ATOM 3714 CG GLN llll 43. .385 -22. .049 22. .286 1. .00 23. .45 ATOM 3715 CD GLN llll 43. .676 -23. .532 22. .089 1. .00 28. .59 ATOM 3716 OEI GLN llll 42. .757 -24. .348 21. .959 1. ,00 29. .01 ATOM 3717 NE2 GLN llll 44. .929 -23. .965 22. .030 1. .00 27. .57 ATOM 3718 HE21 GLN llll 45. .691 -23. .340 22. .074 1. ,00 0. .00 ATOM 3719 HE22 GLN llll 45. .064 -24. .928 21. .948 1. ,00 0. .00 ATOM 3720 C GLN llll 43. .206 -20. .728 19. .348 1. ,00 20. .44 ATOM 3721 O GLN llll 42. .856 -19. .555 19. .522 1. ,00 21. .59 ATOM 3722 N PRO 1112 42. .514 -21. .525 18. .509 1. 00 23. .22 ATOM 3723 CD PRO 1112 42. .844 -22. .911 18. .181 1. 00 23. .13 ATOM 3724 CA PRO 1112 41. .305 -21. .123 17. ,811 1. 00 20. ,52 ATOM 3725 CB PRO 1112 40. ,998 -22. ,286 16. ,909 1. 00 22. ,54 ATOM 3726 CG PRO 1112 41. ,526 -23. ,474 17. ,670 1. .00 23. ,92 ATOM 3727 C PRO 1112 40. .213 -20. .825 18. .815 1. .00 24. .15 ATOM 3728 O PRO 1112 40. .200 -21. .368 19. .930 1. .00 30. .52 ATOM 3729 N GLY 1113 39. .267 -19. ,977 18. .447 1. .00 23. .10 ATOM 3730 H GLY 1113 39. ,267 -19. .606 17. .544 1. .00 0. .00 ATOM 3731 CA GLY 1113 38. .234 -19. .632 19. .391 1. .00 19. .43 ATOM 3732 C GLY 1113 37. .089 -20. .616 19. ,363 1. 00 16. .65 ATOM 3733 O GLY 1113 36. ,646 -21. ,008 18. ,289 1. 00 18. .76 ATOM 3734 N VAL 1114 36. ,534 -20. ,984 20. ,510 1. 00 13. .19 ATOM 3735 H VAL 1114 37. ,000 -20. ,757 21. ,341 1. 00 0. .00 ATOM 3736 CA VAL 1114 35. .340 -21. .823 20. .532 1. ,00 14, .63 ATOM 3737 CB VAL 1114 34. .907 -22. .210 21. .964 1. ,00 15, .86 324 - ATOM 3738 CGI VAL 1114 33.601 -22.998 21.950 1.00 12.00 ATOM 3739 CG2 VAL 1114 35.981 -23 .080 22 .586 1 .00 18 .74 ATOM 3740 C VAL 1114 34.182 -21 .083 19 .903 1 .00 13 .31 ATOM 3741 0 VAL 1114 33.443 -21 .670 19 .117 1 .00 17 .48 ATOM 3742 N PHE 1115 33.998 -19 .804 20 .235 1 .00 11 .59 ATOM 3743 H PHE 1115 34.572 -19 .392 20 .907 1 .00 0 .00 ATOM 3744 CA PHE 1115 32.902 -19 .029 19 .669 1 .00 14 .67 ATOM 3745 CB PHE 1115 32.909 -17 .600 20 .244 1 .00 10 .62 ATOM 3746 CG PHE 1115 31.577 -16 .871 20 .131 1 .00 9 .10 ATOM 3747 CDl PHE 1115 30.397 -17 .551 19 .840 1 .00 7 .14 ATOM 3748 CD2 PHE 1115 31.537 -15 .490 20 .321 1 .00 11 .41 ATOM 3749 CEI PHE 1115 29.199 -16 .865 19 .742 1 .00 9 .87 ATOM 3750 CE2 PHE 1115 30.328 -14 .805 20 .222 1, .00 9 .09 ATOM 3751 CZ PHE 1115 29.161 -15, .488 19 .934 1, .00 7, .44 ATOM 3752 C PHE 1115 33.025 -18, .962 18 .146 1, .00 17, .73 ATOM 3753 O PHE 1115 32.066 -19. .184 17, .415 1, .00 16. .85 ATOM 3754 N ASP 1116 34.234 -18, .697 17. .657 1, .00 18. .54 ATOM 3755 H ASP 1116 34.964 -18, .588 18, .291 1. .00 0. .00 ATOM 3756 CA ASP 1116 34.524 -18. .601 16, .242 1. .00 21. .41 ATOM 3757 CB ASP 1116 36.045 -18. .374 16. .039 1. .00 26. .96 ATOM 3758 CG ASP 1116 36.719 -17. .147 16. .693 1. .00 29. .54 ATOM 3759 ODI ASP 1116 37.891 -16. .890 16. .396 1. .00 32. .73 ATOM 3760 OD2 ASP 1116 36.110 -16. .449 17. .506 1. .00 33. .86 ATOM 3761 C ASP 1116 34.076 -19. .895 15. .576 1. ,00 18. .86 ATOM 3762 O ASP 1116 33.320 -19. ,831 14. .610 1. ,00 20. ,05 ATOM 3763 N CYS 1117 34.413 -21. ,061 16. .139 1. ,00 18. ,63 ATOM 3764 H CYS 1117 34.979 -21. 075 16. .939 1. 00 0. 00 ATOM 3765 CA CYS 1117 34.034 -22. 350 15. .572 1. 00 17. 24 ATOM 3766 CB CYS 1117 34.723 -23. 478 16. .348 1. 00 18. 30 ATOM 3767 SG CYS 1117 36.536 -23. 316 16. 425 1. 00 26. 14 ATOM 3768 C CYS 1117 32.531 -22. 513 15. ,634 1. 00 14. 66 ATOM 3769 O CYS 1117 31.923 -23. 045 14. ,701 1. 00 21. 58 ATOM 3770 N LEU 1118 31.881 -21. 997 16. 680 1. 00 16. 74 ATOM 3771 H LEU 1118 32.402 -21. 553 17. 381 1. 00 0. 00 ATOM 3772 CA LEU 1118 30.431 -22. 098 16. 849 1. 00 14. 92 ATOM 3773 CB LEU 1118 29.978 -21. 517 18. 192 1. 00 15. 40 ATOM 3774 CG LEU 1118 28.763 -22. 045 18. 959 1. 00 19. 35 ATOM 3775 CDl LEU 1118 28.307 -20. 886 19. 786 1. 00 20. 69 ATOM 3776 CD2 LEU 1118 27.544 -22. 433 18. 126 1. 00 19. 69 325 ATOM 3777 C LEU 1118 29.739 -21.314 15.755 1.00 13.42 ATOM 3778 0 LEU 1118 28 .874 -21 .856 15 .066 1 .00 17 .93 ATOM 3779 N ARG 1119 30 .103 -20 .049 15 .560 1 .00 18 .04 ATOM 3780 H ARG 1119 30 .822 -19 .690 16 .116 1 .00 0 .00 ATOM 3781 CA ARG 1119 29 .506 -19 .188 14 .549 1 .00 20 .03 ATOM 3782 CB ARG 1119 30 .169 -17 .814 14 .511 1 .00 23 .89 ATOM 3783 CG ARG 1119 29 .866 -16 .868 15 .654 1 .00 23, .86 ATOM 3784 CD ARG 1119 30 .650 -15 .585 15 .352 1 .00 24, .54 ATOM 3785 NE ARG 1119 31 .494 -15 .252 16 .483 1, .00 27, .03 ATOM 3786 HE ARG 1119 31 .083 -15 .218 17 .373 1 .00 0 .00 ATOM 3787 CZ ARG 1119 32 .793 -14 .973 16 .400 1 .00 27, .13 ATOM 3788 NHI ARG 1119 33 .472 -14 .963 15, .257 1, .00 28, .80 ATOM 3789 HH11 ARG 1119 33, .013 -15, .183 14, .396 1, .00 0, .00 ATOM 3790 HH12 ARG 1119 34, .449 -14, .751 15, .265 1. .00 0. .00 ATOM 3791 NH2 ARG 1119 33. .442 -14, .720 17, .532 1. .00 36. .40 ATOM 3792 HH21 ARG 1119 32, .949 -14, .741 18, .402 1. .00 0. .00 ATOM 3793 HH22 ARG 1119 34, .418 -14, .503 17, .515 1. .00 0. .00 ATOM 3794 C ARG 1119 29. .674 -19. .828 13. .182 1. .00 20. .52 ATOM 3795 O ARG 1119 28. .718 -19. .836 12. .404 1. .00 22. .98 ATOM 3796 N ASP 1120 30. .848 -20. .406 12. .885 1. ,00 23. ,48 ATOM 3797 H ASP 1120 31. .568 -20. .357 13. .552 1. .00 0. .00 ATOM 3798 CA ASP 1120 31. .101 -21. .113 11. .627 1. .00 22. .85 ATOM 3799 CB ASP 1120 32. .511 -21. .706 11. .604 1. .00 21. .65 ATOM 3800 CG ASP 1120 33. .616 -20. .731 11. .243 1. .00 24. .26 ATOM 3801 ODI ASP 1120 33. .434 -19. .945 10. .315 1. .00 32. .04 ATOM 3802 OD2 ASP 1120 34. .670 -20. .772 11. .878 1. ,00 26. ,48 ATOM 3803 C ASP 1120 30. .113 -22. .243 11. .386 1. .00 24. .84 ATOM 3804 O ASP 1120 29. .540 -22. .365 10. .290 1. .00 24. .21 ATOM 3805 N ALA 1121 29. .888 -23. .054 12. .430 1. ,00 22. .80 ATOM 3806 H ALA 1121 30. .393 -22. .917 13. ,262 1. ,00 0. .00 ATOM 3807 CA ALA 1121 28. .937 -24. .140 12. ,339 1. ,00 22. ,02 ATOM 3808 CB ALA 1121 28. .945 -24. .943 13. .637 1. .00 22. .11 ATOM 3809 C ALA 1121 27. .545 -23. .577 12. .085 1. .00 23. .31 ATOM 3810 O ALA 1121 26. .809 -24. .130 11. .262 1. .00 24. .82 ATOM 3811 N MET 1122 27. .156 -22. .459 12. .713 1. .00 21. .97 ATOM 3812 H MET 1122 27. .767 -22. .050 13. .365 1. ,00 0. .00 ATOM 3813 CA MET 1122 25. .854 -21. .832 12. .467 1. ,00 18. .45 ATOM 3814 CB MET 1122 25. .613 -20. .720 13. .492 1. .00 17. .14 ATOM 3815 CG MET 1122 25. .432 -21. .261 14. .904 1. .00 19. .15 326 ATOM 3816 SD MET 1122 25.599 -20.024 16.221 1.00 18.27 ATOM 3817 CE MET 1122 24.071 -19.187 15.883 1.00 11.73 ATOM 3818 C MET 1122 25.766 -21.255 11.042 1.00 17.93 ATOM 3819 O MET 1122 24.772 -21.488 10.354 1.00 14.65 ATOM 3820 N VAL 1123 26.755 -20.516 10.533 1.00 19.13 ATOM 3821 H VAL 1123 27.531 -20.361 11.101 1.00 0.00 ATOM 3822 CA VAL 1123 26.772 -20.019 9.158 1.00 26.08 ATOM 3823 CB VAL 1123 28.184 -19.388 8.881 1.00 28.32 ATOM 3824 CGI VAL 1123 28.276 -18.942 7.432 1.00 29.68 ATOM 3825 CG2 VAL 1123 28.427 -18.162 9.766 1.00 28.12 ATOM 3826 C VAL 1123 26.469 -21.191 8.193 1.00 27.54 ATOM 3827 O VAL 1123 25.512 -21.163 7.406 1.00 28.82 ATOM 3828 N ARG 1124 27.237 -22.266 8.331 1.00 29.08 ATOM 3829 H ARG 1124 27.954 -22.226 9.002 1.00 0.00 ATOM 3830 CA ARG 1124 27.114 -23.478 7.540 1.00 32.51 ATOM 3831 CB ARG 1124 28.229 -24.419 8.025 1.00 34.11 ATOM 3832 CG ARG 1124 28.670 -25.610 7.190 1.00 34.35 ATOM 3833 CD ARG 1124 30.198 -25.740 7.290 1.00 37.42 ATOM 3834 NE ARG 1124 30.680 -25.911 8.658 1.00 44.31 ATOM 3835 HE ARG 1124 30.151 -26.458 9.275 1.00 0.00 ATOM 3836 CZ ARG 1124 31.813 -25.353 9.121 1.00 46.35 ATOM 3837 NHI ARG 1124 32.599 -24.585 8.349 1.00 44.58 ATOM 3838 HH11 ARG 1124 32.350 -24.406 7.397 1.00 0.00 ATOM 3839 HH12 ARG 1124 33.435 -24.188 8.726 1.00 0.00 ATOM 3840 NH2 ARG 1124 32.150 -25.573 10.396 1.00 41.78 ATOM 3841 HH21 ARG 1124 31.564 -26.138 10.975 1.00 0.00 ATOM 3842 HH22 ARG 1124 32.989 -25.172 10.767 1.00 0.00 ATOM 3843 C ARG 1124 25.742 -24.136 7.608 1.00 32.81 ATOM 3844 O ARG 1124 25.047 -24.237 6.596 1.00 32.98 ATOM 3845 N ASP 1125 25.291 -24.527 8.793 1.00 34.45 ATOM 3846 H ASP 1125 25.833 -24.328 9.586 1.00 0.00 ATOM 3847 CA ASP 1125 24.018 -25.200 8.971 1.00 40.31 ATOM 3848 CB ASP 1125 23.838 -25.398 10.479 1.00 45.28 ATOM 3849 CG ASP 1125 22.618 -26.178 10.965 1.00 53.34 ATOM 3850 ODI ASP 1125 22.200 -27.129 10.297 1.00 58.74 ATOM 3851 OD2 ASP 1125 22.095 -25.835 12.031 1.00 56.41 ATOM 3852 C ASP 1125 22.850 -24.434 8.347 1.00 42.48 ATOM 3853 O ASP 1125 21.921 -25.020 7.779 1.00 43.18 ATOM 3854 N TYR 1126 22.936 -23.104 8.375 1.00 43.78 327 - ATOM 3855 H TYR 1126 23.736 -22.681 8.755 1.00 0.00 ATOM 3856 CA TYR 1126 21 .869 -22 .272 7 .859 1 .00 45 .00 ATOM 3857 CB TYR 1126 21 .936 -20 .897 8 .576 1 .00 49 .30 ATOM 3858 CG TYR 1126 21 .814 -21 .009 10 .117 1 .00 56 .17 ATOM 3859 CDl TYR 1126 21 .368 -22 .198 10 .731 1 .00 55 .50 ATOM 3860 CEI TYR 1126 21 .340 -22 .338 12 .118 1 .00 54 .12 ATOM 3861 CD2 TYR 1126 22 .220 -19 .948 10 .943 1 .00 58 .14 ATOM 3862 CE2 TYR 1126 22 .191 -20 .084 12 .341 1 .00 57 .63 ATOM 3863 CZ TYR 1126 21 .753 -21 .282 12 .916 1 .00 55 .36 ATOM 3864 OH TYR 1126 21 .728 -21, .434 14, .286 1, .00 52. .52 ATOM 3865 HH TYR 1126 21 .465 -22, .334 14, .501 1, .00 0, .00 ATOM 3866 C TYR 1126 21 .978 -22. .174 6, .348 1. .00 43, .40 ATOM 3867 O TYR 1126 20 .947 -22. .293 5, .687 1. .00 42, .11 ATOM 3868 N VAL 1127 23, .156 -22. .080 5, .722 1. .00 43. .86 ATOM 3869 H VAL 1127 23 .975 -22. .025 6, .260 1. .00 0, .00 ATOM 3870 CA VAL 1127 23, .249 -22. .080 4. .256 1. .00 41. .19 ATOM 3871 CB VAL 1127 24, .703 -21. .748 3, .848 1. .00 38. .42 ATOM 3872 CGI VAL 1127 24, .955 -22. .021 2. .377 1. .00 40. .55 ATOM 3873 CG2 VAL 1127 24. .935 -20. .249 4. .079 1. .00 34. .48 ATOM 3874 C VAL 1127 22. .799 -23. .440 3. .720 1. ,00 42. .71 ATOM 3875 O VAL 1127 22. .056 -23. .517 2. .743 1. ,00 44. .92 ATOM 3876 N ARG 1128 23. .170 -24. .522 4. .388 1. ,00 44. .87 ATOM 3877 H ARG 1128 23. .800 -24. .401 5. .126 1. ,00 0. .00 ATOM 3878 CA ARG 1128 22. .715 -25. .869 4. .086 1. ,00 47. .89 ATOM 3879 CB ARG 1128 23. .211 -26. .815 5. .184 1. .00 48. .33 ATOM 3880 CG ARG 1128 24. .324 -27. .807 4. .876 1. .00 49. .48 ATOM 3881 CD ARG 1128 23, .765 -29. .032 4. .161 1. .00 52. .30 ATOM 3882 NE ARG 1128 24, .794 -30. .002 3. .801 1. .00 55. .87 ATOM 3883 HE ARG 1128 25. .620 -30. ,046 4. ,326 1. ,00 0. ,00 ATOM 3884 CZ ARG 1128 24. .648 -30. .839 2. ,762 1. ,00 57. ,66 ATOM 3885 NHI ARG 1128 23. .554 -30. ,837 1. ,996 1. ,00 56. ,79 ATOM 3886 HH11 ARG 1128 22. .801 -30. ,206 2. .186 1. ,00 0. .00 ATOM 3887 HHl2 ARG 1128 23. .484 -31. .474 1. .228 1. ,00 0. .00 ATOM 3888 NH2 ARG 1128 25. .621 -31. .699 2. .468 1. ,00 58. .17 ATOM 3889 HH21 ARG 1128 26. .455 -31. .725 3. .020 1. ,00 0. .00 ATOM 3890 HH22 ARG 1128 25. .511 -32. .324 1. .697 1. ,00 0. .00 ATOM 3891 C ARG 1128 21. .187 -25. .967 3. .988 1. ,00 52. .36 ATOM 3892 O ARG 1128 20. .653 -26. ,862 3. .328 1. ,00 52. .10 ATOM 3893 N GLN 1129 20. .433 -25. .085 4. ,643 1. ,00 57. .83 328 ATOM 3894 H GLN 1129 20.853 -24.370 5.162 1.00 0.00 ATOM 3895 CA GLN 1129 18 .987 -25 .157 4 .581 1 .00 61 .29 ATOM 3896 CB GLN 1129 18 .425 -25 .478 5 .972 1 .00 62 .70 ATOM 3897 CG GLN 1129 18 .802 -24 .439 7 .009 1 .00 68 .83 ATOM 3898 CD GLN 1129 18 .109 -24 .567 8 .352 1 .00 72 .83 ATOM 3899 OEI GLN 1129 18 .096 -25 .602 9 .015 1 .00 75 .79 ATOM 3900 NE2 GLN 1129 17 .487 -23 .483 8 .785 1 .00 74 .31 ATOM 3901 HE21 GLN 1129 17 .461 -22 .696 8 .206 1 .00 0 .00 ATOM 3902 HE22 GLN 1129 17 .131 -23 .512 9 .698 1 .00 0 .00 ATOM 3903 C GLN 1129 18 .289 -23 .917 4 .038 1 .00 61 .62 ATOM 3904 O GLN 1129 17 .064 -23 .999 3 .915 1 .00 63 .97 ATOM 3905 N THR 1130 18 .924 -22 .761 3 .784 1 .00 61, .19 ATOM 3906 H THR 1130 19 .871 -22 .634 4 .007 1 .00 0 .00 ATOM 3907 CA THR 1130 18 .211 -21 .648 3 .172 1, .00 62, .61 ATOM 3908 CB THR 1130 18 .647 -20, .261 3, .800 1, .00 62, .24 ATOM 3909 OG1 THR 1130 20 .069 -20, .145 3, .708 1. .00 61. .26 ATOM 3910 HG1 THR 1130 20, .285 -19. .197 3. .660 1. .00 0. .00 ATOM 3911 CG2 THR 1130 18. .183 -20. .116 5. .249 1. .00 62. .20 ATOM 3912 C THR 1130 18. .529 -21, .708 1. .670 1. .00 65. .28 ATOM 3913 O THR 1130 17. .842 -22. .402 0. .907 1. .00 66. .03 ATOM 3914 N TRP 1131 19. .601 -21. .071 1. .173 1. .00 65. .49 ATOM 3915 H TRP 1131 20. .224 -20. .655 1. .806 1. .00 0. .00 ATOM 3916 CA TRP 1131 19. .960 -21. .099 -0. .236 1. .00 65. .51 ATOM 3917 CB TRP 1131 20. .573 -19. .749 -0. .617 1. .00 65. .52 ATOM 3918 CG TRP 1131 20. .672 -19. .437 -2. .110 1. ,00 69. ,50 ATOM 3919 CD2 TRP 1131 19. .692 -19. ,558 -3. ,075 1. ,00 70. ,86 ATOM 3920 CE2 TRP 1131 20. .344 -19. ,011 -4. ,192 1. ,00 71. ,04 ATOM 3921 CE3 TRP 1131 18. ,375 -20. ,015 -3. ,203 1. 00 71. ,56 ATOM 3922 CDl TRP 1131 21. .824 -18. ,885 -2. .606 1. ,00 71. ,98 ATOM 3923 NEI TRP 1131 21. .587 -18. ,632 -3. ,868 1. ,00 72. ,22 ATOM 3924 HEI TRP 1131 22. ,168 -18. ,111 -4. ,465 1. 00 0. 00 ATOM 3925 CZ2 TRP 1131 19. ,709 -18. ,910 -5. 429 1. 00 69. 81 ATOM 3926 CZ3 TRP 1131 17. ,731 -19. 914 -4. 442 1. 00 71. 09 ATOM 3927 CH2 TRP 1131 18. ,395 -19. 365 -5. 546 1. 00 71. 65 ATOM 3928 C TRP 1131 20. 973 -22. 232 -0. 317 1. 00 65. 31 ATOM 3929 O TRP 1131 22. 182 -21. 998 -0. 366 1. 00 68. 03 ATOM 3930 N LYS 1132 20. 440 -23. 455 -0. 271 1. 00 63. 74 ATOM 3931 H LYS 1132 19. 461 -23. 497 -0. 202 1. 00 0. 00 ATOM 3932 CA LYS 1132 21. 175 -24. 716 -0. 242 1. 00 63. 56 329 ATOM 3933 CB LYS 1132 20.189 -25.850 -0.533 1.00 62.60 ATOM 3934 CG LYS 1132 19.225 -26.249 0.555 1.00 61.93 ATOM 3935 CD LYS 1132 18.699 -27.624 0.181 1.00 62.47 ATOM 3936 CE LYS 1132 17.702 -28.156 1.197 1.00 66.22 ATOM 3937 NZ LYS 1132 16.467 -27.393 1.165 1.00 69.52 ATOM 3938 HZ1 LYS 1132 16.046 -27.465 0.217 1.00 0.00 ATOM 3939 HZ2 LYS 1132 16.673 -26.395 1.379 1.00 0.00 ATOM 3940 HZ3 LYS 1132 15.800 -27.767 1.870 1.00 0.00 ATOM 3941 C LYS 1132 22.422 -24.947 -1.106 1.00 65.13 ATOM 3942 O LYS 1132 22.493 -25.877 -1.923 1.00 68.19 ATOM 3943 N LEU 1133 23.484 -24.171 -0.954 1.00 63.90 ATOM 3944 H LEU 1133 23.479 -23.489 -0.250 1.00 0.00 ATOM 3945 CA LEU 1133 24.674 -24.387 -1.743 1.00 63.65 ATOM 3946 CB LEU 1133 25.465 -23.079 -1.895 1.00 64.57 ATOM 3947 CG LEU 1133 24.808 -21.770 -2.401 1.00 63.39 ATOM 3948 CDl LEU 1133 25.918 -20.803 -2.797 1.00 60.88 ATOM 3949 CD2 LEU 1133 23.920 -22.009 -3.616 1.00 62.28 ATOM 3950 C LEU 1133 25.426 -25.401 -0.901 1.00 65.76 ATOM 3951 O LEU 1133 25.843 -25.085 0.212 1.00 68.00 ATOM 3952 N GLU 1134 25.537 -26.646 -1.361 1.00 66.71 ATOM 3953 H GLU 1134 25.157 -26.844 -2.241 1.00 0.00 ATOM 3954 CA GLU 1134 26.201 -27.707 -0.605 1.00 65.88 ATOM 3955 CB GLU 1134 25.354 -28.997 -0.610 1.00 67.01 ATOM 3956 CG GLU 1134 23.846 -28.933 -0.907 1.00 68.05 ATOM 3957 CD GLU 1134 22.932 -28.316 0.146 1.00 69.18 ATOM 3958 OEI GLU 1134 23.314 -27.338 0.789 1.00 69.90 ATOM 3959 OE2 GLU 1134 21.816 -28.815 0.308 1.00 67.93 ATOM 3960 C GLU 1134 27.576 -28.031 -1.190 1.00 64.86 ATOM 3961 O GLU 1134 28.087 -27.284 -2.032 1.00 65.19 ATOM 3962 N GLY 1135 28.237 -29.113 -0.748 1.00 63.94 ATOM 3963 H GLY 1135 27.890 -29.572 0.041 1.00 0.00 ATOM 3964 CA GLY 1135 29.510 -29.581 -1.300 1.00 64.32 ATOM 3965 C GLY 1135 30.626 -28.564 -1.134 1.00 65.04 ATOM 3966 O GLY 1135 30.865 -28.078 -0.027 1.00 69.14 ATOM 3967 N GLU 1136 31.305 -28.230 -2.232 1.00 65.55 ATOM 3968 H GLU 1136 31.118 -28.749 -3.038 1.00 0.00 ATOM 3969 CA GLU 1136 32.335 -27.183 -2.250 1.00 63.31 ATOM 3970 CB GLU 1136 33.131 -27.142 -3.579 1.00 67.04 ATOM 3971 CG GLU 1136 32.638 -27.887 -4.845 1.00 70.75 330 - ATOM 3972 CD GLU 1136 31.274 -27.511 -5.428 X.00 72.63 ATOM 3973 OEI GLU 1136 30 .272 -28 .090 -4 .999 X .00 72 .08 ATOM 3974 OE2 GLU 1136 31 .218 -26 .661 -6 .321 1 .00 72 .72 ATOM 3975 C GLU 1136 31 .703 -25 .810 -2 .070 ATOM 3976 0 GLU 1136 32 .147 -24 .983 -1 .268 1 .00 56 .93 ATOM 3977 N ALA 1137 30 .581 -25 .625 -2 .766 1 .00 56 .11 ATOM 3978 H ALA 1137 30 .196 -26 .378 -3 .254 .00 0 .00 ATOM 3979 CA ALA 1137 29 .850 -24 .377 -2 .767 .00 56 .06 ATOM 3980 CB ALA 1137 28 .617 -24 .541 -3 .663 1 .00 55 .23 ATOM 3981 C ALA 1137 29 .446 -23 .931 -1 .362 ATOM 3982 0 ALA 1137 29 .361 -22 .731 -1 .087 1 .00 54 .23 ATOM 3983 N LEU 1138 29 .238 -24 .894 -0 .464 1 .00 57 .71 ATOM 3984 H LEU 1138 29 .212 -25 .815 -0 .787 1 .00 0 .00 ATOM 3985 CA LEU 1138 28 .985 -24 .630 0. .947 1 .00 60 .29 ATOM 3986 CB LEU 1138 28 .623 -25, .949 1. .639 1 .00 55 .39 ATOM 3987 CG LEU 1138 28 .039 -26. .034 3, .047 .00 54, .97 ATOM 3988 CDl LEU 1138 26 .745 -25, .238 3, .210 1 .00 49, .34 ATOM 3989 CD2 LEU 1138 27, .782 -27, .510 3, .310 1 .00 52, .82 ATOM 3990 C LEU 1138 30, .257 -24. .016 1. .541 1 .00 61. .97 ATOM 3991 O LEU 1138 30. .199 -22. .866 1. .993 X c .00 62. .86 ATOM 3992 N GLU 1139 31. .421 -24. .691 1. .488 X, .00 61. .86 ATOM 3993 H GLU 1139 31. .407 -25. .596 1. .112 1, .00 0. .00 ATOM 3994 CA GLU 1139 32. .702 -24. .191 2. .000 X. .00 62. .74 ATOM 3995 CB GLU 1139 33. .815 -25. .131 1. ,497 1. .00 61. .24 ATOM 3996 CG GLU 1139 35. .261 -24. .889 1. ,948 -! .00 57. ,30 ATOM 3997 CD GLU 1139 36. .311 -25. .774 1. .269 .00 55. .83 ATOM 3998 OEI GLU 1139 36. .544 -25. ,580 0. ,074 1. .00 57. ,77 ATOM 3999 OE2 GLU 1139 36. ,899 -26. ,646 1. 924 . ,00 50. ,09 ATOM 4000 C GLU 1139 32. ,984 -22. 739 1. 587 1• ,00 65. ,63 ATOM 4001 O GLU 1139 33. ,420 -21. 921 2. 417 1. ,00 66. 43 ATOM 4002 N GLN 1140 32. ,682 -22. ,377 0. 325 1. ,00 65. ,95 ATOM 4003 H GLN 1140 32. ,365 -23. 071 -0. 297 1. ,00 0. ,00 ATOM 4004 CA GLN 1140 32. 876 -21. 003 -0. 136 1. 00 66. ,03 ATOM 4005 CB GLN 1140 32. 967 -20. 930 -1. 681 1. 00 67. 56 ATOM 4006 CG GLN 1140 31. 674 -20. 780 -2. 496 1. 00 72. ,83 ATOM 4007 CD GLN 1140 31. 587 -21. 593 -3. 783 X_ 00 77. 61 ATOM 4008 OEI GLN 1140 32. 482 -22. 341 -4. 178 1. 00 79. 83 ATOM 4009 NE2 GLN 1140 30. 460 -21. 524 -4. 480 1. 00 79. 79 ATOM 4010 HE21 GLN 1140 29. 726 -20. 982 -4. 126 1. 00 0. 00 331 - ATOM 4011 HE22 GLN 1140 30.439 -22.013 -5.326 1.00 0.00 ATOM 4012 C GLN 1140 31 .738 -20 .111 0 .344 1 .00 65 .43 ATOM 4013 O GLN 1140 32 .001 -18 .966 0 .717 1 .00 65 .89 ATOM 4014 N ALA 1141 30 .484 -20 .593 0 .404 1 .00 64 .48 ATOM 4015 H ALA 1141 30 .331 -21 .536 0 .181 1 .00 0 .00 ATOM 4016 CA ALA 1141 29 .327 -19 .805 0 .819 1 .00 63 .19 ATOM 4017 CB ALA 1141 28 .077 -20 .670 0 .840 1 .00 60 .31 ATOM 4018 C ALA 1141 29 .515 -19 .218 2 .209 1 .00 61 .63 ATOM 4019 O ALA 1141 29 .156 -18 .073 2 .488 1 .00 60 .18 ATOM 4020 N ILE 1142 30 .160 -20 .006 3. .067 1 .00 61 .25 ATOM 4021 H ILE 1142 30 .402 -20 .903 2 .746 1. .00 0 .00 ATOM 4022 CA ILE 1142 30, .484 -19 .641 4 .435 1, .00 59 .83 ATOM 4023 CB ILE 1142 31, .157 -20, .900 5, .095 1, .00 60 .04 ATOM 4024 CG2 ILE 1142 32. .084 -20. .514 6, .259 1. .00 63. .09 ATOM 4025 CGI ILE 1142 30. .076 -21. .816 5. .665 1. .00 58. .69 ATOM 4026 CD ILE 1142 29. .000 -22. .397 4. .736 1. .00 54. .31 ATOM 4027 C ILE 1142 31. .367 -18. .397 4. .469 1. .00 59. .27 ATOM 4028 O ILE 1142 31. .114 -17. .476 5. .251 1. .00 57. .70 ATOM 4029 N ILE 1143 32. .397 -18. .305 3. .631 1. .00 60. .19 ATOM 4030 H ILE 1143 32. ,567 -19. .013 2. .972 1. ,00 0. ,00 ATOM 4031 CA ILE 1143 33. .242 -17. .128 3. ,679 1. ,00 61. ,81 ATOM 4032 CB ILE 1143 34. .659 -17. .470 3. ,078 1. ,00 64. .29 ATOM 4033 CG2 ILE 1143 34. .620 -17. .636 1. .554 1. ,00 63. .53 ATOM 4034 CGI ILE 1143 35. .640 -16. .335 3. .454 1. ,00 66. .15 ATOM 4035 CD ILE 1143 35. ,960 -16. .121 4. ,963 1. ,00 61. .98 ATOM 4036 C ILE 1143 32. .552 -15. .992 2. ,941 1. ,00 61. .53 ATOM 4037 O ILE 1143 32. ,769 -14. ,816 3. ,240 1. 00 62. ,25 ATOM 4038 N SER 1144 31. ,642 -16. ,318 2. ,030 1. ,00 63. ,73 ATOM 4039 H SER 1144 31. ,415 -17. ,258 1. ,876 1. ,00 0. ,00 ATOM 4040 CA SER 1144 30. ,940 -15. ,310 1. ,265 1. ,00 64. .99 ATOM 4041 CB SER 1144 30. ,516 -15. .998 -0. .048 1. 00 65. ,52 ATOM 4042 OG SER 1144 31. ,608 -16. .655 -0. ,702 1. ,00 60. .59 ATOM 4043 HG SER 1144 32. ,049 -17. .235 -0. ,076 1. ,00 0. .00 ATOM 4044 C SER 1144 29. ,758 -14. ,731 2. ,067 1. ,00 65. .32 ATOM 4045 O SER 1144 28. 634 -14. ,623 1. ,559 1. ,00 68. .14 ATOM 4046 N GLN 1145 29. 938 -14. ,325 3. ,335 1. ,00 63. .50 ATOM 4047 H GLN 1145 30. ,843 -14. .279 3. .712 1. ,00 0. .00 ATOM 4048 CA GLN 1145 28. ,809 -13. .809 4. ,091 1. ,00 60. .48 ATOM 4049 CB GLN 1145 28. ,723 -14. .494 5. ,452 1. ,00 56. .62 - 332 - ATOM 4050 CG GLN 1145 28.142 -15.910 5.299 1.00 53.05 ATOM 4051 CD GLN 1145 26.825 -16.090 4.524 1 .00 51.72 ATOM 4052 OEI GLN 1145 25.802 -15.428 4.735 1 .00 53.41 ATOM 4053 NE2 GLN 1145 26.771 -17.024 3.593 1. .00 46.83 ATOM 4054 HE21 GLN 1145 27.582 -17.547 3.429 1. .00 0.00 ATOM 4055 HE22 GLN 1145 25.935 -17.136 3.098 1. .00 0.00 ATOM 4056 C GLN 1145 28.790 -12.311 4.280 1. .00 58.63 ATOM 4057 O GLN 1145 29.778 -11.635 4.576 1. .00 56.87 ATOM 4058 N ALA 1146 27.578 -11.849 3.981 1. .00 59.12 ATOM 4059 H ALA 1146 26.897 -12.510 3.738 1. .00 0.00 ATOM 4060 CA ALA 1146 27.193 -10.451 4.009 1. .00 62.34 ATOM 4061 CB ALA 1146 25.679 -10.365 3.809 1. .00 59.64 ATOM 4062 C ALA 1146 27.582 -9.759 5.314 1. .00 65.19 ATOM 4063 O ALA 1146 27.167 -10.223 6.375 1. .00 68.05 ATOM 4064 N PRO 1147 28.322 -8.645 5.329 1. .00 66.24 ATOM 4065 CD PRO 1147 28.322 -7.661 4.250 1. .00 68.36 ATOM 4066 CA PRO 1147 29.113 -8.166 6.468 1. .00 65.49 ATOM 4067 CB PRO 1147 29.549 -6.786 6.027 1. .00 66.85 ATOM 4068 CG PRO 1147 29.610 -6.907 4.523 1. .00 68.63 ATOM 4069 C PRO 1147 28.493 -8.163 7.871 1. .00 63.34 ATOM 4070 O PRO 1147 29.080 -8.699 8.816 1. .00 61.92 ATOM 4071 N GLN 1148 27.298 -7.605 8.089 1. ,00 59.39 ATOM 4072 H GLN 1148 26.805 -7.235 7.326 1. .00 0.00 ATOM 4073 CA GLN 1148 26.750 -7.591 9.436 1. .00 54.07 ATOM 4074 CB GLN 1148 25.679 -6.484 9.581 1. .00 54.31 ATOM 4075 CG GLN 1148 24.390 -6.516 8.766 1. .00 56.67 ATOM 4076 CD GLN 1148 24.445 -5.927 7.356 1. 00 56.23 ATOM 4077 OEI GLN 1148 25.198 -6.360 6.475 1. 00 57.34 ATOM 4078 NE2 GLN 1148 23.635 -4.917 7.079 1. 00 51.65 ATOM 4079 HE21 GLN 1148 23.090 -4.554 7.811 1. 00 0.00 ATOM 4080 HE22 GLN 1148 23.553 -4.591 6.160 1. 00 0.00 ATOM 4081 C GLN 1148 26.164 -8.929 9.884 1. 00 50.94 ATOM 4082 O GLN 1148 25.824 -9.064 11.061 1. 00 47.58 ATOM 4083 N VAL 1149 26.097 -9.991 9.063 1. 00 49.04 ATOM 4084 H VAL 1149 26.493 -9.940 8.168 1. 00 0.00 ATOM 4085 CA VAL 1149 25.492 -11.239 9.524 1. 00 45.67 ATOM 4086 CB VAL 1149 25.146 -12.262 8.372 1. 00 41.33 ATOM 4087 CGI VAL 1149 24.379 -11.486 7.327 1. 00 44.52 ATOM 4088 CG2 VAL 1149 26.342 -12.968 7.782 1. 00 37.34 333 - ATOM 4089 C VAL 1149 26.393 -11.954 10.518 1.00 43.99 ATOM 4090 O VAL 1149 25 .900 -12 .667 11 .386 1 .00 41 .36 ATOM 4091 N GLU 1150 27 .705 -11 .733 10 .479 1 .00 42 .85 ATOM 4092 H GLU 1150 28 .054 -11 .109 9 .808 1 .00 0 .00 ATOM 4093 CA GLU 1150 28 .618 -12 .389 11 .398 1 .00 42 .22 ATOM 4094 CB GLU 1150 30 .050 -12 .009 11 .046 1 .00 46 .21 ATOM 4095 CG GLU 1150 30 .495 -12 .414 9 .621 1. .00 57 .47 ATOM 4096 CD GLU 1150 30 .205 -11 .422 8 .478 1. .00 62 .05 ATOM 4097 OEI GLU 1150 31, .050 -10 .572 8 .182 1, .00 67 .14 ATOM 4098 OE2 GLU 1150 29, .142 -11 .493 7 .865 1, .00 61, .78 ATOM 4099 C GLU 1150 28, .255 -11 .931 12. .803 1. .00 38, .38 ATOM 4100 O GLU 1150 27, .993 -12, .741 13, .689 1, .00 42, .57 ATOM 4101 N LYS 1151 28. .058 -10. .619 12, .937 1, .00 35, .01 ATOM 4102 H LYS 1151 28. .150 -10. .069 12, .135 1, .00 0, .00 ATOM 4103 CA LYS 1151 27. .642 -9. .981 14, .175 1, .00 30, .94 ATOM 4104 CB LYS 1151 27. .567 -8, .423 14, .081 1. .00 34, .99 ATOM 4105 CG LYS 1151 28. .827 -7. .591 13. .773 1. .00 39. .28 ATOM 4106 CD LYS 1151 29. .258 -7. .778 12. .320 1. ,00 44. .76 ATOM 4107 CE LYS 1151 30. .649 -7. .256 12. .041 1. ,00 47. .25 ATOM 4108 NZ LYS 1151 31. .121 -7. .818 10. .788 1. ,00 45. .73 ATOM 4109 HZ1 LYS 1151 30. .467 -7. .579 10. .016 1. ,00 0. .00 ATOM 4110 HZ2 LYS 1151 31. .179 -8. .852 10. .886 1. ,00 0. .00 ATOM 4111 HZ3 LYS 1151 32. .067 -7. .440 10. .576 1. ,00 0. .00 ATOM 4112 C LYS 1151 26. .241 -10. .466 14. .517 1. .00 25. .99 ATOM 4113 O LYS 1151 25. .943 -10. .676 15. .685 1. ,00 27. .16 ATOM 4114 N LEU 1152 25. .357 -10. .684 13. .540 1. ,00 22. .11 ATOM 4115 H LEU 1152 25. .620 -10. .478 12. .621 1. .00 0. .00 ATOM 4116 CA LEU 1152 23. .993 -11. .114 13. .813 1. .00 16. .23 ATOM 4117 CB LEU 1152 23. .177 -10. .957 12. .515 1. .00 9. .86 ATOM 4118 CG LEU 1152 22. .906 -9. .504 12. .080 1. .00 11. .37 ATOM 4119 CDl LEU 1152 22. ,338 -9. .492 10. ,678 1. ,00 9. .78 ATOM 4120 CD2 LEU 1152 21. .910 -8. .841 13. .005 1. .00 11. .47 ATOM 4121 C LEU 1152 23. .896 -12. .523 14. .371 1. ,00 10. .24 ATOM 4122 O LEU 1152 23. .131 -12. .774 15. .299 1. ,00 9. .17 ATOM 4123 N ILE 1153 24. .727 -13. .419 13. .841 1. ,00 13. .04 ATOM 4124 H ILE 1153 25. .319 -13. .098 13. .132 1. .00 0. .00 ATOM 4125 CA ILE 1153 24. .864 -14. .828 14. .218 1. .00 12, .12 ATOM 4126 CB ILE 1153 25. .744 -15. .474 13. .121 1. .00 15, .18 ATOM 4127 CG2 ILE 1153 26. .453 -16. .748 13. .547 1. .00 14, .74 - 334 ATOM 4128 CGI ILE 1153 24.803 -15.737 11.964 1.00 15.60 ATOM 4129 CD ILE 1153 25 .554 -16 .002 10 .657 1 .00 27 .01 ATOM 4130 C ILE 1153 25 .457 -14 .936 15 .614 1 .00 12 .01 ATOM 4131 O ILE 1153 24 .938 -15 .653 16 .468 1 .00 12 .84 ATOM 4132 N ALA 1154 26 .552 -14 .241 15 .879 1 .00 10 .22 ATOM 4133 H ALA 1154 27 .021 -13 .803 15 .135 1 .00 0 .00 ATOM 4134 CA ALA 1154 27 .123 -14 .168 17 .201 1 .00 11 .63 ATOM 4135 CB ALA 1154 28 .259 -13 .194 17 .110 1 .00 8 .82 ATOM 4136 C ALA 1154 26 .107 -13 .747 18 .276 1 .00 18 .06 ATOM 4137 O ALA 1154 25 .901 -14 .458 19 .281 1 .00 22 .58 ATOM 4138 N THR 1155 25 .380 -12 .645 18 .103 1 .00 17 .52 ATOM 4139 H THR 1155 25 .577 -12 .028 17 .358 1 .00 0 .00 ATOM 4140 CA THR 1155 24 .349 -12 .242 19 .065 1, .00 18, .83 ATOM 4141 CB THR 1155 23 .904 -10 .801 18. .598 1, .00 22. .02 ATOM 4142 OG1 THR 1155 25, .086 -9. .989 18, .654 1. .00 25. .75 ATOM 4143 HG1 THR 1155 25, .450 -9, .946 19, .545 1. .00 0. .00 ATOM 4144 CG2 THR 1155 22 .905 -10, .096 19, .487 1. .00 26. .93 ATOM 4145 C THR 1155 23, .190 -13, .272 19, .190 1. .00 20. .86 ATOM 4146 O THR 1155 22, .481 -13. .310 20. .208 1. .00 18. .89 ATOM 4147 N THR 1156 22. .963 -14, .161 18. .207 1. .00 21. .15 ATOM 4148 H THR 1156 23. .450 -14. .028 17. .364 1. .00 0. .00 ATOM 4149 CA THR 1156 21. .961 -15. .233 18. .199 1. ,00 18. .52 ATOM 4150 CB THR 1156 21. .500 -15. .438 16. .684 1. ,00 19. .00 ATOM 4151 OG1 THR 1156 20. .596 -14. .388 16. .386 1. 00 18. .19 ATOM 4152 HG1 THR 1156 19. .941 -14. .355 17. ,088 1. 00 0. .00 ATOM 4153 CG2 THR 1156 20. .799 -16. ,746 16. ,399 1. 00 21. 79 ATOM 4154 C THR 1156 22. ,487 -16. ,548 18. ,816 1. 00 15. .90 ATOM 4155 O THR 1156 21. ,664 -17. ,362 19. .249 1. 00 13. .44 ATOM 4156 N ALA 1157 23. ,812 -16. ,756 18. 993 1. 00 15. 78 ATOM 4157 H ALA 1157 24. 421 -16. 012 18. 786 1. 00 0. 00 ATOM 4158 CA ALA 1157 24. ,391 -18. ,060 19. 349 1. 00 13. 25 ATOM 4159 CB ALA 1157 25. ,908 -17. 958 19. 445 1. 00 7. 54 ATOM 4160 C ALA 1157 23. ,912 -18. ,755 20. 604 1. 00 13. 91 ATOM 4161 O ALA 1157 23. 814 -19. 974 20. 635 1. 00 15. 61 ATOM 4162 N HIS 1158 23. 520 -17. 991 21. 622 1. 00 14. 45 ATOM 4163 H HIS 1158 23. 688 -17. 032 21. 526 1. 00 0. 00 ATOM 4164 CA HIS 1158 22. 988 -18. 518 22. 860 1. 00 10. 20 ATOM 4165 CB HIS 1158 22. 621 -17. 348 23. 802 1. 00 8. 12 ATOM 4166 CG HIS 1158 21. 657 -16. 322 23. 213 1. 00 8. 39 335 ATOM 4167 CD2 HIS 1158 20.290 -16.362 23.334 1.00 4.48 ATOM 4168 NDI HIS 1158 21 .946 -15 .266 22 .462 1 .00 8 .59 ATOM 4169 HD1 HIS 1158 22 .832 -14 .924 22 .195 1 .00 0 .00 ATOM 4170 CEI HIS 1158 20 .813 -14 .687 22 .128 1 .00 5 .15 ATOM 4171 NE2 HIS 1158 19 .829 -15 .355 22 .654 1 .00 6 .40 ATOM 4172 HE2 HIS 1158 18 .888 -15 .059 22 .617 1 .00 0 .00 ATOM 4173 C HIS 1158 21 .781 -19 .429 22 .688 1 .00 14 .20 ATOM 4174 O HIS 1158 21 .585 -20 .322 23 .515 1, .00 15. .95 ATOM 4175 N GLU 1159 20 .960 -19 .294 21 .636 1, .00 18. .68 ATOM 4176 H GLU 1159 21, .217 -18 .718 20, .883 1, .00 0, .00 ATOM 4177 CA GLU 1159 19, .753 -20, .112 21, .496 1, .00 20. .00 ATOM 4178 CB GLU 1159 18, .877 -19, .607 20, .388 1. .00 24. .35 ATOM 4179 CG GLU 1159 18. .247 -18, .240 20. .637 1. .00 31. .35 ATOM 4180 CD GLU 1159 17. .302 -17, .760 19. .540 1. .00 32. .75 ATOM 4181 OEI GLU 1159 17. .281 -18, .339 18. .449 1. .00 32. .14 ATOM 4182 OE2 GLU 1159 16. .581 -16. .790 19. .788 1. .00 38. .48 ATOM 4183 C GLU 1159 19. .979 -21. .585 21. .214 1. .00 23. .06 ATOM 4184 O GLU 1159 19. .147 -22. .458 21. .491 1. .00 23. .92 ATOM 4185 N ARG 1160 21. .159 -21. .818 20. .657 1. ,00 25. .06 ATOM 4186 H ARG 1160 21. .803 -21. .086 20. .550 1. ,00 0. .00 ATOM 4187 CA ARG 1160 21. .574 -23. .139 20. .254 1. .00 29. .23 ATOM 4188 CB ARG 1160 22. .616 -23. .065 19. .111 1. .00 30. .90 ATOM 4189 CG ARG 1160 22. .364 -22. .145 17. .916 1. ,00 31. .60 ATOM 4190 CD ARG 1160 21. .047 -22. .440 17. .215 1. ,00 35. .44 ATOM 4191 NE ARG 1160 20. .988 -23. .796 16. .705 1. ,00 41. .49 ATOM 4192 HE ARG 1160 21. .639 -24. .458 17. .019 1. ,00 0. .00 ATOM 4193 CZ ARG 1160 20. .070 -24. .189 15. .816 1. ,00 44. .62 ATOM 4194 NHI ARG 1160 19. .143 -23. .355 15. .329 1. .00 48. .17 ATOM 4195 HH11 ARG 1160 19. .110 -22. .401 15. .626 1. .00 0. .00 ATOM 4196 HHl2 ARG 1160 18. .471 -23. .690 14. .669 1. .00 0. .00 ATOM 4197 NH2 ARG 1160 20. .066 -25. .468 15. .428 1. .00 46. .65 ATOM 4198 HH21 ARG 1160 20. .734 -26. .107 15. .803 1. .00 0. .00 ATOM 4199 HH22 ARG 1160 19. .398 -25. .781 14. .752 1. .00 0. .00 ATOM 4200 C ARG 1160 22. .214 -23. .843 21. .437 1. .00 27, .73 ATOM 4201 O ARG 1160 22. .669 -24. .984 21. .293 1. .00 30. .26 ATOM 4202 N MET 1161 22. .309 -23. .215 22. .614 1. .00 25, .32 ATOM 4203 H MET 1161 21. .769 -22. .422 22. .814 1. .00 0, .00 ATOM 4204 CA MET 1161 23. .045 -23, .835 23. .701 1. .00 18 .76 ATOM 4205 CB MET 1161 23. .790 -22, .792 24. .485 1. .00 11, .53 - 336 - ATOM 4206 CG MET 1161 24.778 -22.042 23.647 1.00 13.13 ATOM 4207 SD MET 1161 25.964 -23.089 22.771 1.00 26.11 ATOM 4208 CE MET 1161 27.076 -23.610 24.041 1.00 21.15 ATOM 4209 C MET 1161 22.056 -24.545 24.593 1.00 12.35 ATOM 4210 O MET 1161 20.927 -24.071 24.734 1.00 12.85 ATOM 4211 N PRO 1162 22.425 -25.665 25.233 1.00 12.69 ATOM 4212 CD PRO 1162 23.679 -26.372 24.996 1.00 9.78 ATOM 4213 CA PRO 1162 21.579 -26.392 26.190 1.00 10.28 ATOM 4214 CB PRO 1162 22.456 -27.563 26.550 1.00 9.48 ATOM 4215 CG PRO 1162 23.862 -27.082 26.321 1.00 10.73 ATOM 4216 C PRO 1162 21.044 -25.611 27.407 1.00 9.82 ATOM 4217 O PRO 1162 20.058 -25.944 28.062 1.00 12.50 ATOM 4218 N TRP 1163 21.718 -24.527 27.743 1.00 11.52 ATOM 4219 H TRP 1163 22.473 -24.268 27.184 1.00 0.00 ATOM 4220 CA TRP 1163 21.372 -23.683 28.862 1.00 10.72 ATOM 4221 CB TRP 1163 22.663 -23.045 29.405 1.00 4.48 ATOM 4222 CG TRP 1163 23.679 -22.401 28.454 1.00 4.54 ATOM 4223 CD2 TRP 1163 23.669 -21.123 27.880 1.00 5.04 ATOM 4224 CΞ2 TRP 1163 24.925 -21.090 27.255 1.00 5.29 ATOM 4225 CE3 TRP 1163 22.844 -19.996 27.775 1.00 2.00 ATOM 4226 CDl TRP 1163 24.838 -23.082 28.176 1.00 2.28 ATOM 4227 NEI TRP 1163 25.575 -22.263 27.457 1.00 6.80 ATOM 4228 HEI TRP 1163 26.499 -22.436 27.155 1.00 0.00 ATOM 4229 CZ2 TRP 1163 25.363 -19.959 26.540 1.00 6.60 ATOM 4230 CZ3 TRP 1163 23.282 -18.873 27.055 1.00 2.00 ATOM 4231 CH2 TRP 1163 24.533 -18.845 26.441 1.00 2.00 ATOM 4232 C TRP 1163 20.345 -22.622 28.520 1.00 11.70 ATOM 4233 O TRP 1163 19.793 -22.041 29.456 1.00 11.21 ATOM 4234 N TYR 1164 19.988 -22.349 27.258 1.00 12.21 ATOM 4235 H TYR 1164 20.226 -22.947 26.519 1.00 0.00 ATOM 4236 CA TYR 1164 19.053 -21.280 26.979 1.00 9.05 ATOM 4237 CB TYR 1164 19.387 -20.582 25.667 1.00 11.55 ATOM 4238 CG TYR 1164 18.493 -19.365 25.402 1.00 9.69 ATOM 4239 CDl TYR 1164 18.541 -18.245 26.254 1.00 8.89 ATOM 4240 CEI TYR 1164 17.687 -17.155 26.012 1.00 12.44 ATOM 4241 CD2 TYR 1164 17.602 -19.386 24.314 1.00 8.85 ATOM 4242 CE2 TYR 1164 16.756 -18.301 24.069 1.00 8.29 ATOM 4243 CZ TYR 1164 16.806 -17.192 24.921 1.00 13.30 ATOM 4244 OH TYR 1164 15.993 -16.110 24.673 1.00 15.18 337 - ATOM 4245 HH TYR 1164 15.388 -16.300 23.946 1.00 0.00 ATOM 4246 C TYR 1164 17 .676 -21 .864 26 .897 1 .00 13 .42 ATOM 4247 O TYR 1164 17 .449 -22 .907 26 .271 1 .00 16 .65 ATOM 4248 N HIS 1165 16 .757 -21 .238 27 .625 1 .00 10 .41 ATOM 4249 H HIS 1165 17 .023 -20 .453 28 .157 1 .00 0 .00 ATOM 4250 CA HIS 1165 15 .386 -21 .680 27 .657 1 .00 9 .19 ATOM 4251 CB HIS 1165 15 .046 -22 .242 29 .025 1 .00 8 .07 ATOM 4252 CG HIS 1165 15 .822 -23 .476 29 .470 1 .00 6, .13 ATOM 4253 CD2 HIS 1165 17 .188 -23 .531 29 .603 1, .00 3, .28 ATOM 4254 NDI HIS 1165 15, .360 -24, .673 29 .834 1, .00 5, .83 ATOM 4255 HD1 HIS 1165 14, .432 -24, .992 29 .833 1, .00 0, .00 ATOM 4256 CEI HIS 1165 16, .389 -25, .423 30, .172 1, .00 2. .00 ATOM 4257 NE2 HIS 1165 17, .481 -24. .727 30, .026 1. .00 3. .94 ATOM 4258 HE2 HIS 1165 18. .390 -25. .104 30, .044 1. .00 0. .00 ATOM 4259 C HIS 1165 14. .499 -20. .488 27, .359 1. .00 12. .21 ATOM 4260 O HIS 1165 14. .122 -19. .735 28. .246 1. .00 15. .69 ATOM 4261 N SER 1166 14. .123 -20. .310 26, .096 1. .00 18. .69 ATOM 4262 H SER 1166 14. .377 -20. .990 25. .433 1. .00 0. .00 ATOM 4263 CA SER 1166 13. .275 -19. .235 25. .580 1. .00 22. .32 ATOM 4264 CB SER 1166 13. .142 -19. .448 24. .077 1. .00 24. .30 ATOM 4265 OG SER 1166 12. .997 -20. .850 23. .816 1. .00 27. .37 ATOM 4266 HG SER 1166 13. .693 -21. .116 23. .199 1. .00 0. .00 ATOM 4267 C SER 1166 11. .883 -19. .119 26. .201 1. .00 25. .68 ATOM 4268 O SER 1166 11. .229 -18. .073 26. .253 1. ,00 28. .35 ATOM 4269 N SER 1167 11. .484 -20. .297 26. .640 1. .00 28. .43 ATOM 4270 H SER 1167 12. .094 -21. .052 26. .534 1. ,00 0. ,00 ATOM 4271 CA SER 1167 10. .186 -20. .640 27. .174 1. .00 30. .35 ATOM 4272 CB SER 1167 9. .981 -22. .064 26. .593 1. .00 35. .08 ATOM 4273 OG SER 1167 11. .206 -22. .853 26. .583 1. .00 35. .86 ATOM 4274 HG SER 1167 11. .021 -23. .626 26. .039 1. .00 0. .00 ATOM 4275 C SER 1167 9. .887 -20. .535 28. .688 1. .00 27. .36 ATOM 4276 O SER 1167 8. .729 -20. .731 29. .066 1. .00 25. .18 ATOM 4277 N LEU 1168 10. .815 -20. .231 29, .614 1. .00 24. .64 ATOM 4278 H LEU 1168 11. .680 -19. .865 29, .328 1. .00 0. .00 ATOM 4279 CA LEU 1168 10. .498 -20. .295 31, .044 1. .00 22. .29 ATOM 4280 CB LEU 1168 11. .557 -21. .101 31. .794 1. .00 19, .48 ATOM 4281 CG LEU 1168 12. .002 -22. .465 31, .275 1. .00 19, .31 ATOM 4282 CDl LEU 1168 13. .095 -22. .977 32, .202 1. .00 21. .06 ATOM 4283 CD2 LEU 1168 10. .868 -23. .462 31, .244 1. .00 14, .54 338 ATOM 4284 C LEU 1168 10.306 -19.012 31.834 1.00 17.29 ATOM 4285 O LEU 1168 11 .015 -18 .020 31 .664 1 .00 18 .35 ATOM 4286 N THR 1169 9 .313 -19 .044 32 .722 1 .00 18 .42 ATOM 4287 H THR 1169 8 .737 -19 .830 32 .790 1 .00 0 .00 ATOM 4288 CA THR 1169 9 .095 -17 .971 33 .682 1 .00 17 .82 ATOM 4289 CB THR 1169 7 .653 -17 .980 34 .221 1 .00 19 .72 ATOM 4290 OG1 THR 1169 7 .429 -19 .264 34 .804 1 .00 19 .56 ATOM 4291 HG1 THR 1169 6 .475 -19 .419 34 .793 1 .00 0 .00 ATOM 4292 CG2 THR 1169 6 .636 -17 .685 33 .152 1 .00 18 .55 ATOM 4293 C THR 1169 10 .043 -18 .209 34 .852 1 .00 10 .98 ATOM 4294 O THR 1169 10 .641 -19 .285 34 .937 1 .00 13 .16 ATOM 4295 N ARG 1170 10 .164 -17 .270 35 .781 1 .00 12 .27 ATOM 4296 H ARG 1170 9 .759 -16 .397 35 .585 1 .00 0 .00 ATOM 4297 CA ARG 1170 10 .945 -17 .431 36 .998 1 .00 13 .63 ATOM 4298 CB ARG 1170 10, .726 -16 .204 37 .885 1 .00 9 .48 ATOM 4299 CG ARG 1170 11. .337 -16 .386 39 .259 1, .00 11, .46 ATOM 4300 CD ARG 1170 10. .964 -15. .269 40, .208 1, .00 11, .17 ATOM 4301 NE ARG 1170 11. .912 -14. .216 39, .978 1, .00 15, .66 ATOM 4302 HE ARG 1170 11. .832 -13. .703 39. .151 1. .00 0, .00 ATOM 4303 CZ ARG 1170 12. .818 -13, .829 40. .866 1, .00 13, .85 ATOM 4304 NHI ARG 1170 13. .634 -12. .864 40. .468 1. .00 13, .48 ATOM 4305 HH11 ARG 1170 13. .543 -12. .488 39. .546 1. .00 0. .00 ATOM 4306 HHl2 ARG 1170 14. .351 -12. ,528 41. .072 1. .00 0. .00 ATOM 4307 NH2 ARG 1170 12. .878 -14. .317 42. .111 1. .00 15. .64 ATOM 4308 HH21 ARG 1170 12. .202 -14. .988 42. .417 1. .00 0. .00 ATOM 4309 HH22 ARG 1170 13. .578 -13. .986 42. .747 1. .00 0. .00 ATOM 4310 C ARG 1170 10. .584 -18. .709 37. .768 1. ,00 14. .28 ATOM 4311 O ARG 1170 11. .437 -19. .520 38. .145 1. ,00 15. .79 ATOM 4312 N GLU 1171 9. ,292 -18. .934 37. ,913 1. ,00 12. .16 ATOM 4313 H GLU 1171 8. .675 -18. .340 37. ,445 1. ,00 0. .00 ATOM 4314 CA GLU 1171 8. ,792 -20. .075 38. ,632 1. ,00 16. .73 ATOM 4315 CB GLU 1171 7. ,269 -20. .067 38. ,688 1. ,00 24. .50 ATOM 4316 CG GLU 1171 6. ,607 -18. ,830 39. ,300 1. .00 39. .58 ATOM 4317 CD GLU 1171 6. ,664 -17. .554 38. ,452 1. .00 46. .40 ATOM 4318 OEI GLU 1171 7. ,176 -16. ,541 38. .935 1. 00 48. .99 ATOM 4319 OE2 GLU 1171 6. ,203 -17. ,579 37. .308 1. 00 53. .13 ATOM 4320 C GLU 1171 9. 232 -21. ,344 37. 952 1. 00 16. .53 ATOM 4321 O GLU 1171 9. .811 -22. .204 38. ,602 1. 00 19. .25 ATOM 4322 N GLU 1172 9. .021 -21. .438 36. ,633 1. ,00 20. .89 339 ATOM 4323 H GLU 1172 8.697 -20.643 36.157 1.00 0.00 ATOM 4324 CA GLU 1172 9 .338 -22 .632 35 .849 1 .00 17 .91 ATOM 4325 CB GLU 1172 8 .892 -22 .458 34 .416 1 .00 17 .90 ATOM 4326 CG GLU 1172 7 .369 -22 .486 34 .271 1 .00 27 .69 ATOM 4327 CD GLU 1172 6 .780 -21 .903 32 .984 1 .00 27 .08 ATOM 4328 OEI GLU 1172 7 .359 -22 .058 31 .915 1 .00 34 .51 ATOM 4329 OE2 GLU 1172 5 .723 -21 .282 33 .052 1 .00 32 .11 ATOM 4330 C GLU 1172 10 .814 -22 .927 35 .866 1 .00 15 .95 ATOM 4331 O GLU 1172 11 .207 -24 .083 35 .976 1 .00 18 .39 ATOM 4332 N ALA 1173 11 .643 -21 .889 35 .819 1 .00 17. .72 ATOM 4333 H ALA 1173 11 .266 -20 .991 35 .737 1, .00 0. .00 ATOM 4334 CA ALA 1173 13 .088 -22. .029 35, .894 1. .00 17. .23 ATOM 4335 CB ALA 1173 13, .744 -20. .657 35, .803 1. .00 16. .89 ATOM 4336 C ALA 1173 13, .504 -22, .681 37, .208 1. .00 14. .94 ATOM 4337 O ALA 1173 14, .228 -23, .673 37, .220 1. .00 17. .02 ATOM 4338 N GLU 1174 13. .008 -22. .180 38. .330 1. .00 15. .36 ATOM 4339 H GLU 1174 12, .387 -21. .420 38. .258 1. .00 0. .00 ATOM 4340 CA GLU 1174 13. .300 -22. .759 39. .637 1. .00 15. .72 ATOM 4341 CB GLU 1174 12. .528 -22. .007 40. .702 1. .00 14. .38 ATOM 4342 CG GLU 1174 12. .963 -20. .560 40. .838 1. .00 17. ,68 ATOM 4343 CD GLU 1174 12. .413 -19. .797 42. .032 1. .00 20. .98 ATOM 4344 OEI GLU 1174 11. .503 -20. .278 42. .705 1. .00 28. ,76 ATOM 4345 OE2 GLU 1174 12. .902 -18. .701 42. .293 1. .00 17. ,73 ATOM 4346 C GLU 1174 12. .906 -24. .235 39. .680 1. ,00 17. ,50 TOM 4347 O GLU 1174 13. .703 -25. .090 40. .077 1. ,00 15. ,79 ATOM 4348 N ARG 1175 11. ,703 -24. .578 39. ,198 1. ,00 19. ,83 ATOM 4349 H ARG 1175 11. .118 -23. .863 38. ,863 1. ,00 0. ,00 ATOM 4350 CA ARG 1175 11. .240 -25. .958 39. ,149 1. ,00 19. ,46 ATOM 4351 CB ARG 1175 9. .812 -26. .015 38. ,618 1. ,00 22. .12 ATOM 4352 CG ARG 1175 8. .805 -25. .491 39. ,647 1. 00 31. .07 ATOM 4353 CD ARG 1175 7. .351 -25. .744 39. .250 1. ,00 37. .43 ATOM 4354 NE ARG 1175 6. .593 -24. .512 39. .055 1. ,00 40. .92 ATOM 4355 HE ARG 1175 6. .444 -23. .921 39. .823 1. .00 0. .00 ATOM 4356 CZ ARG 1175 6. .092 -24. .160 37. .862 1. .00 43. .85 ATOM 4357 NHI ARG 1175 6. .260 -24. .923 36. .776 1. .00 44. .41 ATOM 4358 HH11 ARG 1175 6. .773 -25. .779 36. .831 1. .00 0. .00 ATOM 4359 HHl2 ARG 1175 5. .870 -24. .633 35. .902 1. ,00 0. .00 ATOM 4360 NH2 ARG 1175 5. .419 -23. .010 37. .746 1. .00 41. .58 ATOM 4361 HH21 ARG 1175 5. .312 -22. .413 38. .541 1. ,00 0. .00 - 340 WO97/08300 P P 'CCTTI/US96/13918 ATOM 4362 HH22 ARG 1175 5.048 -22 .735 36 .860 1.00 0 .00 ATOM 4363 C ARG 1175 12.139 -26 .831 38 .290 1.00 18 .03 ATOM 4364 O ARG 1175 12.465 -27 .951 38 .681 1.00 19 .18 ATOM 4365 N LYS 1176 12.646 -26 .307 37 .179 1.00 19 .95 ATOM 4366 H LYS 1176 12.409 -25 .382 36 .946 1.00 0 .00 ATOM 4367 CA LYS 1176 13.523 -27 .040 36 .277 1.00 19 .66 ATOM 4368 CB LYS 1176 13.704 -26 .240 34 .968 1.00 24 .70 ATOM 4369 CG LYS 1176 14.239 -27 .027 33 .766 1.00 27 .63 ATOM 4370 CD LYS 1176 13.192 -27 .947 33 .130 1.00 33 .14 ATOM 4371 CE LYS 1176 12.084 -27 .187 32 .375 1.00 32 .52 ATOM 4372 NZ LYS 1176 11.254 -28 .098 31 .601 1.00 30 .45 ATOM 4373 HZ1 LYS 1176 10.824 -28 .804 32 .232 1.00 0 .00 ATOM 4374 HZ2 LYS 1176 11.850 -28 .586 30 .900 1.00 0 .00 ATOM 4375 HZ3 LYS 1176 10.508 -27 .570 31 .106 1.00 0 .00 ATOM 4376 C LYS 1176 14.866 -27 .273 36 .941 1.00 15 .53 ATOM 4377 O LYS 1176 15.351 -28, .400 36 .968 1.00 18 .60 ATOM 4378 N LEU 1177 15.433 -26, .223 37, .531 1.00 20, .13 ATOM 4379 H LEU 1177 14.945 -25. .377 37. .490 1.00 0. .00 ATOM 4380 CA LEU 1177 16.715 -26. .242 38. .225 1.00 18. .75 ATOM 4381 CB LEU 1177 17.004 -24. .782 38. .564 1.00 17, .17 ATOM 4382 CG LEU 1177 18.184 -23. .971 38. .029 1.00 15. .05 ATOM 4383 CDl LEU 1177 18.762 -24. .564 36. .777 1.00 13. .44 ATOM 4384 CD2 LEU 1177 17.697 -22. .560 37. .810 1.00 7. .89 ATOM 4385 C LEU 1177 16.744 -27. .158 39. .461 1.00 17. .88 ATOM 4386 O LEU 1177 17.759 -27. 761 39. .804 1.00 16. ,88 ATOM 4387 N TYR 1178 15.637 -27. 251 40. 193 1.00 19. ,77 ATOM 4388 H TYR 1178 14.887 -26. ,668 39. .963 1.00 0. ,00 ATOM 4389 CA TYR 1178 15.521 -28. 151 41. .329 1.00 24. ,93 ATOM 4390 CB TYR 1178 14.301 -27. 775 42. 188 1.00 22. ,12 ATOM 4391 CG TYR 1178 14.517 -26. 530 43. 029 1.00 24. 04 ATOM 4392 CDl TYR 1178 15.626 -26. 436 43. 875 1.00 25. 26 ATOM 4393 CEI TYR 1178 15.821 -25. 289 44. 649 1.00 29. 64 ATOM 4394 CD2 TYR 1178 13.605 -25. 479 42. 958 1.00 20. 32 ATOM 4395 CE2 TYR 1178 13.795 -24. 326 43. 729 1.00 25. 80 ATOM 4396 CZ TYR 1178 14.906 -24. 231 44. 576 1.00 28. 67 ATOM 4397 OH TYR 1178 15.105 -23. 078 45. 334 1.00 28. 90 ATOM 4398 HH TYR 1178 14.279 -22. 583 45. 370 1.00 0. 00 ATOM 4399 C TYR 1178 15.397 -29. 624 40. 939 1.00 27. 89 ATOM 4400 O TYR 1178 15.565 -30. 502 41. 793 1.00 28. 32 - 341 ATOM 4401 N SER 1179 15.080 -29.931 39.671 1.00 30.11 ATOM 4402 H SER 1179 15 .087 -29 .234 38 .985 1 .00 0 .00 ATOM 4403 CA SER 1179 14 .933 -31 .307 39 .223 1 .00 28 .15 ATOM 4404 CB SER 1179 14 .183 -31 .423 37 .897 1 .00 28 .43 ATOM 4405 OG SER 1179 12 .801 -31 .106 38 .019 1 .00 41 .75 ATOM 4406 HG SER 1179 12 .751 -30 .143 38 .120 1 .00 0 .00 ATOM 4407 C SER 1179 16 .303 -31 .898 39 .010 1, .00 26. .65 ATOM 4408 O SER 1179 17 .190 -31 .306 38 .393 1 .00 23 .06 ATOM 4409 N GLY 1180 16 .475 -33 .096 39 .533 1, .00 24. .46 ATOM 4410 H GLY 1180 15 .843 -33 .441 40, .193 1, .00 0. .00 ATOM 4411 CA GLY 1180 17, .719 -33. .778 39, .337 1. .00 24. .52 ATOM 4412 C GLY 1180 18, .692 -33. .270 40. .364 1, .00 26, .59 ATOM 4413 O GLY 1180 18, .351 -32. .970 41, .505 1. .00 27. .29 ATOM 4414 N ALA 1181 19, .879 -33. .121 39. .810 1. .00 29. .30 ATOM 4415 H ALA 1181 19, .932 -33, .275 38. .847 1. .00 0. .00 ATOM 4416 CA ALA 1181 21. .082 -32. .730 40. .497 1. .00 31. .94 ATOM 4417 CB ALA 1181 22. .129 -32. .393 39. .454 1. .00 38. .26 ATOM 4418 C ALA 1181 21. .143 -31. .629 41. .539 1. .00 33. .00 ATOM 4419 O ALA 1181 21. .590 -31. .937 42. .643 1. ,00 40. .36 ATOM 4420 N GLN 1182 20. .762 -30. .374 41. .309 1. ,00 29. .27 ATOM 4421 H GLN 1182 20. .272 -30. .169 40. .490 1. ,00 0. .00 ATOM 4422 CA GLN 1182 20. .962 -29. .298 42. .309 1. .00 28. .61 ATOM 4423 CB GLN 1182 20. .064 -29. .532 43. .545 1. .00 23. .51 ATOM 4424 CG GLN 1182 18. .601 -29. .269 43. .273 1. .00 29. .62 ATOM 4425 CD GLN 1182 17. .692 -29. .877 44. .324 1. .00 35. .92 ATOM 4426 OEI GLN 1182 17. .243 -29. .245 45. .289 1. .00 37. .09 ATOM 4427 NE2 GLN 1182 17. .413 -31. .156 44. .135 1. .00 45. .00 ATOM 4428 HE21 GLN 1182 17. .810 -31. .600 43. .352 1. .00 0. .00 ATOM 4429 HE22 GLN 1182 16. .769 -31. .597 44. .723 1. .00 0. .00 ATOM 4430 C GLN 1182 22. .417 -29. .095 42. .787 1. .00 23. .87 ATOM 4431 O GLN 1182 22. .746 -28. .817 43. .947 1. .00 22, .97 ATOM 4432 N THR 1183 23. .336 -29. .158 41. .837 1. .00 18, .65 ATOM 4433 H THR 1183 23. .097 -29. .276 40. .898 1. .00 0, .00 ATOM 4434 CA THR 1183 24. .738 -28. .955 42. .096 1. .00 16. .92 ATOM 4435 CB THR 1183 25, .517 -29. .736 41. .010 1, .00 18 .51 ATOM 4436 OG1 THR 1183 24, .892 -29. .453 39, .753 1, .00 17 .00 ATOM 4437 HG1 THR 1183 25, .621 -29. .318 39, .122 1, .00 0 .00 ATOM 4438 CG2 THR 1183 25. .531 -31, .245 41, .285 1, .00 18 .60 ATOM 4439 C THR 1183 25. .053 -27, .462 42, .074 1, .00 14 .68 - 342 - ATOM 4440 O THR 1183 24.370 -26.721 41.361 1.00 18.03 ATOM 4441 N ASP 1184 26 .065 -26 .961 42 .779 1 .00 13 .66 ATOM 4442 H ASP 1184 26 .579 -27 .569 43 .353 1 .00 0 .00 ATOM 4443 CA ASP 1184 26 .404 -25 .549 42 .741 1 .00 15 .21 ATOM 4444 CB ASP 1184 27 .536 -25 .242 43 .695 1 .00 10 .46 ATOM 4445 CG ASP 1184 27 .176 -25 .188 45 .170 1 .00 12 .60 ATOM 4446 ODI ASP 1184 28 .084 -25 .277 46 .010 1 .00 10 .75 ATOM 4447 OD2 ASP 1184 25 .990 -25 .054 45 .471 1 .00 12 .16 ATOM 4448 C ASP 1184 26 .828 -25 .115 41 .356 1 .00 16 .93 ATOM 4449 O ASP 1184 27 .602 -25 .817 40 .695 1 .00 21 .40 ATOM 4450 N GLY 1185 26 .262 -23 .997 40 .918 1 .00 14 .05 ATOM 4451 H GLY 1185 25 .633 -23 .519 41 .496 1 .00 0 .00 ATOM 4452 CA GLY 1185 26 .561 -23 .443 39 .614 1. .00 14 .01 ATOM 4453 C GLY 1185 25 .741 -24 .063 38 .499 1. .00 15. .04 ATOM 4454 O GLY 1135 26 .035 -23 .832 37 .331 1, .00 13, .07 ATOM 4455 N LYS 1186 24, .734 -24, .889 38 .778 1, .00 14. .59 ATOM 4456 H LYS 1186 24 .547 -25 .122 39 .711 1, .00 0, .00 ATOM 4457 CA LYS 1186 23, .860 -25 .398 37 .737 1. .00 14. .21 ATOM 4458 CB LYS 1186 23, .012 -26, .505 38, .326 1. .00 12. .61 ATOM 4459 CG LYS 1186 22. .022 -27, .129 37, .379 1. .00 14. .10 ATOM 4460 CD LYS 1186 21. .252 -27. .977 38. .361 1. .00 22. .79 ATOM 4461 CE LYS 1186 20. .043 -28. .626 37. .721 1. .00 27. .95 ATOM 4462 NZ LYS 1186 19. .440 -29. .535 38. .677 1. .00 30. .90 ATOM 4463 HZ1 LYS 1186 20. .110 -30. .295 38. .908 1. .00 0. .00 ATOM 4464 HZ2 LYS 1136 18. .582 -29. .942 38. ,257 1. 00 0. ,00 ATOM 4465 HZ3 LYS llsό 19. ,194 -29. .024 39. ,548 1. 00 0. ,00 ATOM 4466 C LYS 1136 23. ,024 -24. .186 37. ,303 1. 00 14. ,69 ATOM 4467 O LYS 1186 22. ,539 -23. ,457 38. 176 1. 00 12. ,22 ATOM 4468 N PHE 1137 22. 836 -23. ,931 36. 007 1. 00 11. 37 ATOM 4469 H PHE 1187 23. 152 -24. 577 35. 337 1. 00 0. 00 ATOM 4470 CA PHE 1187 22. ,222 -22. ,688 35. 554 1. 00 11. 00 ATOM 4471 CB PHE 1187 23. 316 -21. ,609 35. 354 1. 00 3. 59 ATOM 4472 CG PHE 1187 24. 161 -21. ,823 34. 092 1. 00 10. ,48 ATOM 4473 CDl PHE 1137 23. 895 -21. 065 32. 936 1. 00 4. 12 ATOM 4474 CD2 PHE 1137 25. 167 -22. 802 34. 076 1. 00 4. 77 ATOM 4475 CEI PHE 1187 24. 631 -21. 297 31. 788 1. 00 2. 00 ATOM 4476 CE2 PHE 1187 25. 904 -23. 023 32. 918 1. 00 3. 39 ATOM 4477 CZ PHE 1187 25. 639 -22. 275 31. 776 1. 00 2. 00 ATOM 4478 C PHE 1187 21. 441 -22. 811 34. 251 1. 00 12. 70 343 - ATOM 4479 O PHE 1187 21.629 -23.757 33.469 1.00 14.29 ATOM 4480 N LEU 1188 20 .617 -21 .805 33 .980 1 .00 15 .30 ATOM 4481 H LEU 1188 20 .500 -21 .083 34 .639 1 .00 0 .00 ATOM 4482 CA LEU 1188 19 .932 -21 .659 32 .705 1 .00 13 .51 ATOM 4483 CB LEU 1188 18 .537 -22 .312 32 .777 1, .00 8 .23 ATOM 4484 CG LEU 1188 17 .434 -21 .857 33 .728 1 .00 8 .72 ATOM 4485 CDl LEU 1188 16 .675 -20 .662 33 .151 1, .00 6, .00 ATOM 4486 CD2 LEU 1188 16 .444 -22 .984 33 .915 1, .00 3, .86 ATOM 4487 C LEU 1188 19 .834 -20 .148 32 .432 1, .00 17, .33 ATOM 4488 O LEU 1188 19. .923 -19, .356 33, .384 1. .00 16. .73 ATOM 4489 N LEU 1189 19. .732 -19. .698 31, .178 1. .00 11. .00 ATOM 4490 H LEU 1189 19. .712 -20, .341 30. .439 1. .00 0. .00 ATOM 4491 CA LEU 1189 19. .464 -18. .312 30. .886 1. .00 8. ,88 ATOM 4492 CB LEU 1189 20. .505 -17. .760 29. .951 1. .00 9. ,47 ATOM 4493 CG LEU 1189 20. .749 -16. .264 29, .994 1. ,00 11. ,16 ATOM 4494 CDl LEU 1189 22. .234 -15. .989 29, .946 1. ,00 14. ,98 ATOM 4495 CD2 LEU 1189 20. .093 -15. .606 28. .818 1. ,00 17. ,03 ATOM 4496 C LEU 1189 18. .105 -18. .311 30. .221 1. ,00 10. ,34 ATOM 4497 O LEU 1189 17. .787 -19. .243 29. .481 1. ,00 11. 32 ATOM 4498 N ARG 1190 17. .268 -17. .316 30. .494 1. ,00 11. ,83 ATOM 4499 H ARG 1190 17. .569 -16. .616 31. .112 1. ,00 0. ,00 ATOM 4500 CA ARG 1190 15. .940 -17. .192 29. .930 1. ,00 12. ,55 ATOM 4501 CB ARG 1190 14. .872 -17. .742 30. .924 1. ,00 10. ,80 ATOM 4502 CG ARG 1190 14. .816 -16. .996 32. .246 1. .00 16. ,94 ATOM 4503 CD ARG 1190 13. .866 -17. .619 33. .244 1. ,00 10. .51 ATOM 4504 NE ARG 1190 14. .272 -17. .195 34. .574 1. ,00 14. .51 ATOM 4505 HE ARG 1190 14. .905 -17. .754 35. .065 1. ,00 0. ,00 ATOM 4506 CZ ARG 1190 13. .838 -16. .071 35. .155 1. .00 11. .97 ATOM 4507 NHI ARG 1190 12. .979 -15. .236 34. .576 1. .00 8. .12 ATOM 4508 HH11 ARG 1190 12. .632 -15. .428 33, .659 1. .00 0. .00 ATOM 4509 HHl2 ARG 1190 12. .684 -14, .419 35, .066 1. .00 0. .00 ATOM 4510 NH2 ARG 1190 14. .356 -15, .731 36, .323 1. .00 8. .29 ATOM 4511 HH21 ARG 1190 15. .053 -16, .316 36, .734 1. .00 0, .00 ATOM 4512 HH22 ARG 1190 14, .070 -14, .895 36, .785 1. .00 0, .00 ATOM 4513 C ARG 1190 15, .654 -15 .715 29 .608 1. .00 14, .97 ATOM 4514 O ARG 1190 16, .245 -14 .815 30 .226 1, .00 15, .61 ATOM 4515 N PRO 1191 14, .809 -15 .374 28 .625 1, .00 14 .74 ATOM 4516 CD PRO 1191 14. .125 -16 .305 27, .724 1. .00 14, .72 ATOM 4517 CA PRO 1191 14, .427 -14 .014 28 .335 1. .00 15, .50 344 ATOM 4518 CB PRO 1191 13.942 -14.095 26.902 1.00 20.02 ATOM 4519 CG PRO 1191 13 .230 -15 .430 26 .849 1 .00 12 .74 ATOM 4520 C PRO 1191 13 .377 -13 .599 29 .354 1 .00 17 .84 ATOM 4521 O PRO 1191 12 .559 -14 .420 29 .789 1 .00 18 .29 ATOM 4522 N ARG 1192 13 .392 -12 .351 29 .787 1 .00 16 .50 ATOM 4523 H ARG 1192 14 .020 -11 .697 29 .417 1 .00 0 .00 ATOM 4524 CA ARG 1192 12 .390 -11 .919 30 .731 1 .00 19 .93 ATOM 4525 CB ARG 1192 12 .896 -10 .822 31 .655 1 .00 16 .49 ATOM 4526 CG ARG 1192 14 .046 -11 .166 32 .595 1 .00 10 .36 ATOM 4527 CD ARG 1192 14 .060 -10 .221 33 .763 1 .00 10 .83 ATOM 4528 NE ARG 1192 14 .004 -8 .826 33 .365 1, .00 21 .58 ATOM 4529 HE ARG 1192 14 .571 -8 .533 32 .622 1 .00 0 .00 ATOM 4530 CZ ARG 1192 13 .214 -7 .909 33 .937 1, .00 17 .94 ATOM 4531 NHI ARG 1192 12 .378 -8. .164 34, .943 1, .00 12 .97 ATOM 4532 HH11 ARG 1192 12 .311 -9 .088 35, .321 1, .00 0, .00 ATOM 4533 HHl2 ARG 1192 11, .820 -7, .426 35. .322 1. .00 0, .00 ATOM 4534 NH2 ARG 1192 13, .296 -6, .674 33, .467 1, .00 21, .28 ATOM 4535 HH21 ARG 1192 13, .919 -6. .471 32. .711 1. .00 0, .00 ATOM 4536 HH22 ARG 1192 12. .741 -5. .948 33. .873 1. .00 0, .00 ATOM 4537 C ARG 1192 11. .241 -11. .367 29. .915 1. .00 28. .96 ATOM 4538 O ARG 1192 11. .345 -11. .120 28. .703 1. .00 32. .17 ATOM 4539 N LYS 1193 10. .133 -11. .182 30. .620 1. .00 35. .58 ATOM 4540 H LYS 1193 10. .123 -11. .503 31. .549 1. .00 0. .00 ATOM 4541 CA LYS 1193 8. .919 -10. .627 30. .059 1. ,00 39. .90 ATOM 4542 CB LYS 1193 7. .862 -10. .552 31. .167 1. ,00 44. .44 ATOM 4543 CG LYS 1193 8. .242 -9. .817 32. .469 1. .00 50. .54 ATOM 4544 CD LYS 1193 7. .395 -10. .421 33. .597 1. ,00 54. .35 ATOM 4545 CE LYS 1193 7. .441 -9. .651 34. .907 1. ,00 50. .38 ATOM 4546 NZ LYS 1193 6. .716 -8. ,403 34. ,764 1. 00 50. .92 ATOM 4547 HZ1 LYS 1193 5. .768 -8. ,597 34. 383 1. 00 0. ,00 ATOM 4548 HZ2 LYS 1193 7. ,230 -7. ,776 34. ,112 1. ,00 0. .00 ATOM 4549 HZ3 LYS 1193 6. ,627 -7. ,945 35. ,693 1. 00 0. .00 ATOM 4550 C LYS 1193 9. 200 -9. ,258 29. ,465 1. 00 42. ,01 ATOM 4551 O LYS 1193 8. 681 -8. 919 28. 400 1. 00 45. ,17 ATOM 4552 N GLU 1194 10. ,063 -8. 465 30. ,107 1. 00 43. ,21 ATOM 4553 H GLU 1194 10. ,545 -8. 826 30. 876 1. 00 0. ,00 ATOM 4554 CA GLU 1194 10. 422 -7. 154 29. 598 1. 00 42. ,46 ATOM 4555 CB GLU 1194 11. 099 -6. 342 30. 699 1. 00 45. ,15 ATOM 4556 CG GLU 1194 10. 161 -6. 091 31. 888 1. 00 51. 05 - 345 ATOM 4557 CD GLU 1194 10.620 -5.135 32.997 1.00 54.40 ATOM 4558 OEI GLU 1194 11 .621 -4 .428 32 .841 1 .00 51 .74 ATOM 4559 OE2 GLU 1194 9 .960 -5 .106 34 .040 1 .00 53 .43 ATOM 4560 C GLU 1194 11 .374 -7 .449 28 .450 1 .00 41 .34 ATOM 4561 O GLU 1194 12 .396 -8 .111 28 .620 1 .00 41 .69 ATOM 4562 N GLN 1195 11 .021 -7 .015 27 .252 1 .00 41 .74 ATOM 4563 H GLN 1195 10 .212 -6 .475 27 .187 1, .00 0 .00 ATOM 4564 CA GLN 1195 11, .787 -7 .317 26 .052 1. .00 41 .57 ATOM 4565 CB GLN 1195 10, .993 -6 .804 24 .850 1. .00 49, .15 ATOM 4566 CG GLN 1195 9, .692 -7 .586 24, .621 1. .00 57, .96 ATOM 4567 CD GLN 1195 9, .918 -9 .056 24. .262 1. .00 62. .70 ATOM 4568 OEI GLN 1195 10. .451 -9 .376 23, .198 1. .00 67, .19 ATOM 4569 NE2 GLN 1195 9. .529 -10, .002 25. .108 1. .00 63, .28 ATOM 4570 HE21 GLN 1195 9. .110 -9, .750 25. .959 1. ,00 0. .00 ATOM 4571 HE22 GLN 1195 9. .686 -10, .930 24. .842 1. .00 0. .00 ATOM 4572 C GLN 1195 13. .201 -6, .763 26. .036 1. ,00 36. .58 ATOM 4573 O GLN 1195 13. .410 -5, .624 26. .442 1. .00 38. .41 ATOM 4574 N GLY 1196 14. .180 -7, .567 25. .631 1. .00 33. .45 ATOM 4575 H GLY 1196 13. .953 -8, .505 25. .441 1. .00 0. .00 ATOM 4576 CA GLY 1196 15. .579 -7, .149 25. .576 1. ,00 27. .92 ATOM 4577 C GLY 1196 16. .373 -7, .473 26. .850 1. .00 20. .50 ATOM 4578 O GLY 1196 17. .596 -7. .331 26. .896 1. ,00 17. .86 ATOM 4579 N THR 1197 15. .713 -7. .930 27. .912 1. ,00 21. .77 ATOM 4580 H THR 1197 14. .758 -8. .129 27. .852 1. ,00 0, .00 ATOM 4581 CA THR 1197 16. .376 -8. .267 29. .151 1. ,00 15. .76 ATOM 4582 CB THR 1197 15. .701 -7. .539 30. .329 1. ,00 16. .54 ATOM 4583 OG1 THR 1197 14. .355 -7. .984 30. .455 1. ,00 18. .76 ATOM 4584 HG1 THR 1197 13. .876 -7. .758 29. .653 1. ,00 0. .00 ATOM 4585 CG2 THR 1197 15. .758 -6. .037 30. .127 1. ,00 15. .13 ATOM 4586 C THR 1197 16. .300 -9. .769 29. .328 1. ,00 16. .59 ATOM 4587 O THR 1197 15. .438 -10, .452 28. .738 1. .00 17, .00 ATOM 4588 N TYR 1198 17. .204 -10. .298 30. .140 1. .00 14, .48 ATOM 4589 H TYR 1198 17. .739 -9, .719 30. .720 1. .00 0 .00 ATOM 4590 CA TYR 1198 17. .356 -11, .719 30. .325 1. .00 16, .70 ATOM 4591 CB TYR 1198 18. .556 -12, .201 29. .519 1. .00 17 .59 ATOM 4592 CG TYR 1198 18. .374 -12, .049 28. .008 1. .00 21. .32 ATOM 4593 CDl TYR 1198 18. .820 -10, .906 27. .326 1. .00 16 .75 ATOM 4594 CEI TYR 1198 18. .609 -10, .791 25. .950 1. .00 19 .88 ATOM 4595 CD2 TYR 1198 17. .725 -13, .072 27. .304 1. .00 25 .15 346 - WO97/08300 F P'CCTTi/US96/13918 ATOM 4596 CE2 TYR 1198 17.509 -12 .964 25 .929 1 .00 25 .33 ATOM 4597 CZ TYR 1198 17.954 -11 .824 25 .263 .00 26 .49 ATOM 4598 OH TYR 1198 17.748 -11 .741 23 .894 1 .00 36 .63 ATOM 4599 HH TYR 1198 17.993 -10 .861 23 .598 .00 0 .00 ATOM 4600 C TYR 1198 17.589 -11 .975 31 .791 1 .00 14 .67 ATOM 4601 O TYR 1198 18.007 -11 .074 32 .512 1 .00 18 .92 ATOM 4602 N ALA 1199 17.351 -13 .168 32 .283 - " .00 12 .49 ATOM 4603 H ALA 1199 17.003 -13 .882 31 .710 1 .00 0 .00 ATOM 4604 CA ALA 1199 17.694 -13 .466 33 .659 - .00 10 .60 ATOM 4605 CB ALA 1199 16.446 -13 .646 34 .500 1 .00 3 .99 ATOM 4606 C ALA 1199 18.501 -14 .755 33 .690 1 .00 9 .64 ATOM 4607 O ALA 1199 18.152 -15 .740 33 .036 1 .00 11, .40 ATOM 4608 N LEU 1200 19.653 -14 .684 34 .355 1 .00 6 .80 ATOM 4609 H LEU 1200 19.907 -13 .807 34 .720 1 .00 0 .00 ATOM 4610 CA LEU 1200 20.499 -15 .823 34 .655 1 .00 9, .47 ATOM 4611 CB LEU 1200 21.895 -15, .345 34 .915 1 .00 8. .55 ATOM 4612 CG LEU 1200 23.093 -15. .967 34, .261 1 .00 12. .62 ATOM 4613 CDl LEU 1200 24.235 -15. .618 35. .215 1 .00 4. .18 ATOM 4614 CD2 LEU 1200 22.921 -17. .455 33. .940 .00 2. .53 ATOM 4615 C LEU 1200 19.975 -16. .527 35. .934 X .00 10. .31 ATOM 4616 O LEU 1200 19.911 -15. .893 37. .002 .00 9. .18 ATOM 4617 N SER 1201 19.539 -17. .787 35. .929 1 .00 8. .80 ATOM 4618 H SER 1201 19.637 -18. .340 35. .125 1 .00 0. .00 ATOM 4619 CA SER 1201 19.073 -18. ,416 37. .154 X . .00 10. .37 ATOM 4620 CB SER 1201 17.702 -18. ,992 36. ,893 , .00 11. ,67 ATOM 4621 OG SER 12C1 16.765 -17. .981 36. ,540 , .00 13. ,11 ATOM 4622 HG SER 1201 17.018 -17. ,717 35. .640 , .00 0. ,00 ATOM 4623 C SER 1201 20.091 -19. ,498 37. ,493 , .00 13. ,77 ATOM 4624 O SER 1201 20.425 -20. 250 36. 565 1• .00 13. ,42 ATOM 4625 N LEU 1202 20.600 -19. 589 38. 739 . ,00 10. 94 ATOM 4626 H LEU 1202 20.254 -19. 000 39. 443 1. ,00 0. 00 ATOM 4627 CA LEU 1202 21.622 -20. 553 39. 113 1. ,00 10. 67 ATOM 4628 CB LEU 1202 23.010 -19. 859 39. 184 1. 00 16. 39 ATOM 4629 CG LEU 1202 23.690 -19. 359 40. 485 1• ,00 15. 58 ATOM 4630 CDl LEU 1202 25.112 -19. 872 40. 531 1. 00 18. 14 ATOM 4631 CD2 LEU 12C2 23.778 -17. 875 40. 526 1. 00 14. 38 ATOM 4632 C LEU 1202 21.341 -21. 242 40. 449 -! 00 11. 37 ATOM 4633 O LEU 1202 20.596 -20. 712 41. 265 1. 00 13. 60 ATOM 4634 N ILE 1203 21.873 -22. 422 40. 728 1. 00 13. 31 - 347 - ATOM 4635 H ILE 1203 22.435 -22.841 40.047 1.00 0.00 ATOM 4636 CA ILE 1203 21 .704 -23 .099 41 .999 1 .00 11 .49 ATOM 4637 CB ILE 1203 21 .585 -24 .650 41 .781 1 .00 18 .26 ATOM 4638 CG2 ILE 1203 22 .002 -25 .404 43 .049 1 .00 15 .92 ATOM 4639 CGI ILE 1203 20 .156 -25 .035 41 .396 1 .00 20 .04 ATOM 4640 CD ILE 1203 19 .137 -25 .145 42 .573 1 .00 21 .80 ATOM 4641 C ILE 1203 22 .939 -22 .781 42 .819 1 .00 7 .80 ATOM 4642 O ILE 1203 24 .056 -22 .800 42 .305 1 .00 10 .96 ATOM 4643 N TYR 1204 22 .777 -22 .459 44 .090 1, .00 10 .54 ATOM 4644 H TYR 1204 21 .887 -22, .190 44 .403 1, .00 0 .00 ATOM 4645 CA TYR 1204 23 .881 -22, .380 45 .021 1, .00 6, .13 ATOM 4646 CB TYR 1204 24, .481 -20, .973 45, .109 1. .00 10, .48 ATOM 4647 CG TYR 1204 25, .533 -20, .915 46, .211 1. .00 7, .51 ATOM 4648 CDl TYR 1204 26, .792 -21. .469 45, .978 1. .00 2. .91 ATOM 4649 CEI TYR 1204 27, .736 -21. .503 47, .007 1. .00 6. .56 ATOM 4650 CD2 TYR 1204 25. .219 -20. .383 47. .473 1. .00 6. .54 ATOM 4651 CE2 TYR 1204 26. .162 -20. .425 48, .499 1. .00 4. .63 ATOM 4652 CZ TYR 1204 27. .407 -20. .991 48. .257 1. .00 5. .40 ATOM 4653 OH TYR 1204 28. .302 -21. .141 49. .285 1. .00 6. .25 ATOM 4654 HH TYR 1204 29. .180 -20. .904 48. .957 1. .00 0. .00 ATOM 4655 C TYR 1204 23. .203 -22. .728 46. .322 1. .00 8. .98 ATOM 4656 O TYR 1204 22. .156 -22. .157 46. .640 1. ,00 9. .89 ATOM 4657 N GLY 1205 23. .708 -23. .725 47. .057 1. ,00 10. .19 ATOM 4658 H GLY 1205 24. .387 -24. .311 46. .661 1. ,00 0. .00 ATOM 4659 CA GLY 1205 23. .143 -24. .100 48. .356 1. ,00 5. .00 ATOM 4660 C GLY 1205 21. .709 -24. .580 48. .227 1. 00 9. .19 ATOM 4661 O GLY 1205 20. .825 -24. .345 49. .072 1. ,00 10. .18 ATOM 4662 N LYS 1206 21. .503 -25. .225 47. .068 1. ,00 8. .86 ATOM 4663 H LYS 1206 22. .286 -25. .417 46. .504 1. ,00 0. .00 ATOM 4664 CA LYS 1206 20. .208 -25. .701 46. .603 1. ,00 4. ,66 ATOM 4665 CB LYS 1206 19. .836 -26. .968 47. .357 1. .00 6. .05 ATOM 4666 CG LYS 1206 20. .929 -28. .011 47. .201 1. .00 4. .25 ATOM 4667 CD LYS 1206 20. .424 -29. .318 47. .766 1. .00 10. .92 ATOM 4668 CE LYS 1206 21. .540 -30. .357 47. .758 1. .00 10. .58 ATOM 4669 NZ LYS 1206 20. .937 -31. .658 47. .933 1. .00 19. .07 ATOM 4670 HZ1 LYS 1206 20. .351 -31. .871 47. .101 1. .00 0. .00 ATOM 4671 HZ2 LYS 1206 20. .337 -31. .657 48. .783 1. .00 0. .00 ATOM 4672 HZ3 LYS 1206 21. .669 -32. .389 48. .030 1. .00 0. .00 ATOM 4673 C LYS 1206 19. .114 -24. .648 46. .728 1. .00 4, .89 348 ATOM 4674 O LYS 1206 17.957 -24.880 47.090 1.00 7.21 ATOM 4675 N THR 1207 19 .538 -23 .433 46 .388 1 .00 8 .77 ATOM 4676 H THR 1207 20 .471 -23 .265 46 .151 1 .00 0 .00 ATOM 4677 CA THR 1207 18 .654 -22 .282 46 .327 1 .00 11 .18 ATOM 4678 CB THR 1207 18 .993 -21 .309 47 .469 1 .00 8 .66 ATOM 4679 OG1 THR 1207 19 .044 -22 .042 48 .695 1 .00 18 .34 ATOM 4680 HG1 THR 1207 19 .657 -22 .792 48 .654 1 .00 0 .00 ATOM 4681 CG2 THR 1207 17 .935 -20 .225 47 .600 1 .00 2 .00 ATOM 4682 C THR 1207 18 .933 -21 .646 44 .964 1 .00 8 .75 ATOM 4683 O THR 1207 20 .094 -21 .520 44 .566 1 .00 11 .11 ATOM 4684 N VAL 1208 17 .897 -21 .317 44 .203 1 .00 11 .99 ATOM 4685 H VAL 1208 16 .986 -21 .474 44 .529 1 .00 0 .00 ATOM 4686 CA VAL 1208 18 .092 -20 .657 42 .924 1, .00 11, .25 ATOM 4687 CB VAL 1208 16 .848 -20 .878 42 .006 1, .00 13, .46 ATOM 4688 CGI VAL 1208 17 .103 -20, .322 40, .612 1. .00 10, .87 ATOM 4689 CG2 VAL 1208 16 .583 -22, .363 41, .833 1, .00 8, .09 ATOM 4690 C VAL 1208 18, .313 -19, .169 43, .185 1. .00 9. .93 ATOM 4691 O VAL 1208 17, .641 -18. .561 44. .021 1. .00 12. .68 ATOM 4692 N TYR 1209 19. .289 -18. .559 42. .538 1. .00 10. .99 ATOM 4693 H TYR 1209 19. .866 -19. .105 41. .961 1. .00 0. .00 ATOM 4694 CA TYR 1209 19. .543 -17. .127 42. .598 1. .00 9. .13 ATOM 4695 CB TYR 1209 21. .023 -16. .904 42. .917 1. .00 7. .91 ATOM 4696 CG TYR 1209 21. .281 -17. ,214 44. .376 1. .00 13. .41 ATOM 4697 CDl TYR 1209 21. .096 -16. .209 45. .327 1. ,00 16. .92 ATOM 4698 CEI TYR 1209 21. .199 -16. .504 46. .682 1. 00 22. .64 ATOM 4699 CD2 TYR 1209 21. .591 -18. ,512 44. .783 1. 00 13. .00 ATOM 4700 CE2 TYR 1209 21. ,691 -18. .807 46. .138 1. ,00 14. ,79 ATOM 4701 CZ TYR 1209 21. .492 -17. ,805 47. .080 1. 00 18. ,04 ATOM 4702 OH TYR 1209 21. .555 -18. ,089 48. ,425 1. 00 16. ,55 ATOM 4703 HH TYR 1209 21. ,525 -19. ,044 48. ,552 1. 00 0. 00 ATOM 4704 C TYR 1209 19. 176 -16. 557 41. 227 1. 00 9. 15 ATOM 4705 O TYR 1209 19. ,307 -17. ,306 40. ,258 1. 00 9. 61 ATOM 4706 N HIS 1210 18. 677 -15. 326 41. 036 1. 00 9. 91 ATOM 4707 H HIS 1210 18. 622 -14. 715 41. 807 1. 00 0. 00 ATOM 4708 CA HIS 1210 18. 366 -14. 805 39. 699 1. 00 7. 08 ATOM 4709 CB HIS 1210 16. 886 -14. 536 39. 478 1. 00 9. 03 ATOM 4710 CG HIS 1210 16. 007 -15. 770 39. 564 1. 00 8. 44 ATOM 4711 CD2 HIS 1210 15. 433 -16. 228 40. 731 1. 00 10. 80 ATOM 4712 NDI HIS 1210 15. 657 -16. 621 38. 613 1. 00 11. 46 - 349 ATOM 4713 HD1 HIS 1210 15.996 -16.657 37.689 1.00 0.00 ATOM 4714 CEI HIS 1210 14 .908 -17 .563 39 .136 1 .00 7 .08 ATOM 4715 NE2 HIS 1210 14 .785 -17 .314 40 .416 1 .00 10 .12 ATOM 4716 HE2 HIS 1210 14 .360 -17 .908 41 .068 1 .00 0 .00 ATOM 4717 C HIS 1210 19 .057 -13 .487 39 .455 1 .00 9 .93 ATOM 4718 O HIS 1210 18 .956 -12 .579 40 .269 1 .00 8, .85 ATOM 4719 N TYR 1211 19 .794 -13 .329 38 .372 1. .00 10, .56 ATOM 4720 H TYR 1211 19 .870 -14 .074 37 .737 1, .00 0, .00 ATOM 4721 CA TYR 1211 20 .501 -12 .089 38 .069 1, .00 14. .64 ATOM 4722 CB TYR 1211 21, .990 -12 .387 37 .885 1. .00 8, .91 ATOM 4723 CG TYR 1211 22, .642 -12 .837 39, .175 1. .00 13. .49 ATOM 4724 CDl TYR 1211 22, .545 -14, .176 39, .587 1. .00 11. .64 ATOM 4725 CEI TYR 1211 23, .138 -14, .579 40, .782 1. .00 8. .95 ATOM 4726 CD2 TYR 1211 23, .333 -11, .897 39, .950 1. .00 10. .65 ATOM 4727 CE2 TYR 1211 23, .928 -12, .305 41, .144 1. .00 8. .87 ATOM 4728 CZ TYR 1211 23. .829 -13, .642 41. .549 1. .00 11. .65 ATOM 4729 OH TYR 1211 24. .419 -14. .055 42. .720 1. .00 10. .12 ATOM 4730 HH TYR 1211 24. .763 -13. .294 43. .222 1. ,00 0. ,00 ATOM 4731 C TYR 1211 19. .940 -11. .461 36. .795 1. ,00 12. .65 ATOM 4732 O TYR 1211 19. .623 -12. .200 35. .866 1. ,00 15. .74 ATOM 4733 N LEU 1212 19. .779 -10. .150 36. .679 1. ,00 14. .20 ATOM 4734 H LEU 1212 20. .110 -9. .570 37. .399 1. ,00 0. .00 ATOM 4735 CA LEU 1212 19. .216 -9. .514 35. .488 1. .00 13. .88 ATOM 4736 CB LEU 1212 18. .486 -8. .205 35. .850 1. .00 17. .25 ATOM 4737 CG LEU 1212 17. .893 -7. .281 34. .785 1. .00 11. .92 ATOM 4738 CDl LEU 1212 16. .934 -8. .055 33. .937 1. ,00 15. .10 ATOM 4739 CD2 LEU 1212 17. .122 -6. .164 35. .416 1. .00 16. .39 ATOM 4740 C LEU 1212 20. .350 -9. .193 34. .556 1. .00 11. .08 ATOM 4741 O LEU 1212 21. .414 -8. .791 35. .005 1. .00 15. .63 ATOM 4742 N ILE 1213 20. .155 -9. .402 33. .274 1. .00 11. .41 ATOM 4743 H ILE 1213 19. .286 -9. .744 32. .985 1. .00 0. .00 ATOM 4744 CA ILE 1213 21. .132 -9. .052 32. .258 1. .00 11. .27 ATOM 4745 CB ILE 1213 21. .647 -10. .301 31. .495 1. .00 10. .65 ATOM 4746 CG2 ILE 1213 22. .612 -9. .851 30. .394 1. .00 2, .00 ATOM 4747 CGI ILE 1213 22. .333 -11. .271 32. .457 1. .00 8. .10 ATOM 4748 CD ILE 1213 22. .178 -12. .708 31. .951 1. .00 6, .60 ATOM 4749 C ILE 1213 20. .300 -8, .185 31. .319 1. .00 12. .26 ATOM 4750 O ILE 1213 19. .143 -8. .504 31. .032 1. .00 11, .97 ATOM 4751 N SER 1214 20, .850 -7, .068 30. .870 1. .00 15. .76 350 - ATOM 4752 H SER 1214 21.733 -6.808 31.218 .00 0.00 ATOM 4753 CA SER 1214 20.219 -6.188 29.898 .00 11.43 ATOM 4754 CB SER 1214 19.346 -5.168 30.653 .00 8.83 ATOM 4755 OG SER 1214 19.967 -4.636 31.807 .00 13.26 ATOM 4756 HG SER 1214 20.764 -4.188 31.502 .00 0.00 ATOM 4757 C SER 1214 21.344 -5.515 29.112 .00 12.87 ATOM 4758 O SER 1214 22.539 -5.704 29.420 .00 9.60 ATOM 4759 N GLN 1215 21.012 -4.789 28.040 .00 13.37 ATOM 4760 H GLN 1215 20.071 -4.719 27.781 .00 0.00 ATOM 4761 CA GLN 1215 22.007 -4.049 27.261 .00 16.58 ATOM 4762 CB GLN 1215 21.641 -3.996 25.761 .00 15.14 ATOM 4763 CG GLN 1215 21.706 -5.377 25.155 .00 19.92 ATOM 4764 CD GLN 1215 21.354 -5.525 23.684 .00 23.57 ATOM 4765 OEI GLN 1215 20.229 -5.858 23.301 .00 25.08 ATOM 4766 NE2 GLN 1215 22.322 -5.400 22.793 .00 24.06 ATOM 4767 HE21 GLN 1215 23.233 -5.230 23.113 .00 0.00 ATOM 4768 HE22 GLN 1215 22.094 -5.496 21.847 .00 0.00 ATOM 4769 C GLN 1215 22.069 -2.625 27.789 .00 16.06 ATOM 4770 O GLN 1215 21.025 -2.008 28.024 .00 19.32 ATOM 4771 N ASP 1216 23.268 -2.124 28.048 .00 17.64 ATOM 4772 H ASP 1216 24.038 -2.731 28.000 .00 0.00 ATOM 4773 CA ASP 1216 23.475 -0.736 28.451 .00 21.35 ATOM 4774 CB ASP 1216 24.925 -0.587 28.951 .00 20.33 ATOM 4775 CG ASP 1216 26.085 -0.812 27.960 .00 18.82 ATOM 4776 ODI ASP 1216 25.889 -0.887 26.747 .00 18.33 ATOM 4777 OD2 ASP 1216 27.226 -0.886 28.401 .00 15.08 ATOM 4778 C ASP 1216 23.211 0.206 27.275 .00 22.60 ATOM 4779 O ASP 1216 23.013 -0.268 26.157 .00 24.68 ATOM 4780 N LYS 1217 23.334 1.527 27.414 .00 27.26 ATOM 4781 H LYS 1217 23.459 1.868 28.323 ,00 0.00 ATOM 4782 CA LYS 1217 23.128 2.473 26.302 ,00 26.76 ATOM 4783 CB LYS 1217 23.521 3.892 26.747 .00 28.33 ATOM 4784 CG LYS 1217 24.974 4.178 27.188 00 40.57 ATOM 4785 CD LYS 1217 25.357 3.646 28.595 00 49.59 ATOM 4786 CE LYS 1217 26.753 4.133 28.992 00 51.93 ATOM 4787 NZ LYS 1217 27.053 3.846 30.383 00 52.30 ATOM 4788 HZ1 LYS 1217 26.961 2.826 30.561 00 0.00 ATOM 4789 HZ2 LYS 1217 26.396 4.369 31.000 00 0.00 ATOM 4790 HZ3 LYS 1217 28.028 4.149 30.584 00 0.00 351 ATOM 4791 C LYS 1217 23.856 2.171 24.973 1.00 23.75 ATOM 4792 O LYS 1217 23. .414 2, .526 23 .881 X . .00 22, .76 ATOM 4793 N ALA 1218 24 .992 1 .488 25 .066 1 .00 19 .56 ATOM 4794 H ALA 1218 25 .278 1 .175 25 .942 1 .00 0 .00 ATOM 4795 CA ALA 1218 25 .789 1 .160 23 .913 1 .00 18 .97 ATOM 4796 CB ALA 1218 27. .250 1, .338 24 .283 1, .00 12, .65 ATOM 4797 C ALA 1218 25, .574 -0, .245 23 .355 1, .00 20, .40 ATOM 4798 O ALA 1218 26. .304 -0, .658 22, .447 1, .00 24, .06 ATOM 4799 N GLY 1219 24. .611 -1. .018 23, .852 1. .00 17. .93 ATOM 4800 H GLY 1219 23. .937 -0. .641 24, .458 1. .00 0. .00 ATOM 4801 CA GLY 1219 24. .399 -2. .368 23. .337 1. .00 18. .40 ATOM 4802 C GLY 1219 25. .163 -3. .491 24, .043 1. .00 12. .63 ATOM 4803 O GLY 1219 24. .891 -4. .659 23. .791 1. .00 14. ,94 ATOM 4804 N LYS 1220 26. .090 -3. .212 24. .938 1. .00 9. ,76 ATOM 4805 H LYS 1220 26. .312 -2. .276 25. .072 1. ,00 0. ,00 ATOM 4806 CA LYS 1220 26. .804 -4. .244 25. .668 1. ,00 12. ,80 ATOM 4807 CB LYS 1220 28. .063 -3. .669 26. .313 1. .00 11. .80 ATOM 4808 CG LYS 1220 29. .005 -3. .055 25. .284 1. .00 13. .40 ATOM 4809 CD LYS 1220 30. .498 -3. .312 25. .537 1. .00 31. .03 ATOM 4810 CE LYS 1220 30. .945 -4. .758 25. .267 1. .00 36. .30 ATOM 4811 NZ LYS 1220 32. .384 -4. .971 25. .363 1. ,00 35. ,49 ATOM 4812 HZ1 LYS 1220 32. .708 -4. .762 26. .328 1. ,00 0. ,00 ATOM 4813 HZ2 LYS 1220 32. .874 -4. .347 24. .690 1. .00 0. .00 ATOM 4814 HZ3 LYS 1220 32. .599 -5. .961 25. .132 1. .00 0. .00 ATOM 4815 C LYS 1220 25. .940 -4. .884 26. .745 1. ,00 14. .51 ATOM 4816 O LYS 1220 25. .205 -4. .205 27. .477 1. ,00 15. .43 ATOM 4817 N TYR 1221 25. .990 -6. .217 26. .744 1. ,00 12. .28 ATOM 4818 H TYR 1221 26. .544 -6. .646 26. .066 1. ,00 0. .00 ATOM 4819 CA TYR 1221 25. .273 -7. .069 27. .673 1. ,00 10. .89 ATOM 4820 CB TYR 1221 25. .187 -8. .490 27. .087 1. .00 7. .55 ATOM 4821 CG TYR 1221 24. .259 -8. .599 25. .884 1. .00 6, .89 ATOM 4822 CDl TYR 1221 24. .784 -8, .501 24, .600 1. .00 5, .33 ATOM 4823 CEI TYR 1221 23. .964 -8, .672 23. .486 1. .00 11, .81 ATOM 4824 CD2 TYR 1221 22. .902 -8, .856 26. .051 1. .00 10, .91 ATOM 4825 CE2 TYR 1221 22. .075 -9 .031 24. .930 1. .00 9 .53 ATOM 4826 CZ TYR 1221 22, .612 -8, .950 23. .645 1, .00 12 .73 ATOM 4827 OH TYR 1221 21, .836 -9 .245 22 .524 1, .00 13 .45 ATOM 4828 HH TYR 1221 21. .836 -8 .487 21. .914 1, .00 0 .00 ATOM 4829 C TYR 1221 25, .965 -7 .106 29 .035 1, .00 9 .20 352 - WO97/083001 F P » CCTT/US96/13918 ATOM 4830 O TYR 1221 27.197 -7.211 29 .109 1 .00 13 .58 ATOM 4831 N CYS 1222 25.234 -6.957 30 .127 1 .00 8 .73 ATOM 4832 H CYS 1222 24.293 -6.678 30 .068 1 .00 0 .00 ATOM 4833 CA CYS 1222 25.842 -7.089 31 .435 1 .00 11 .15 ATOM 4834 CB CYS 1222 26.711 -5.878 31 .730 1 .00 13 .63 ATOM 4835 SG CYS 1222 25.843 -4.300 31 .769 1 .00 15 .70 ATOM 4836 C CYS 1222 24.800 -7.225 32 .519 1 .00 9 .43 ATOM 4837 O CYS 1222 23.617 -6.955 32 .302 1 .00 13 .63 ATOM 4838 N ILE 1223 25.180 -7.769 33 .671 1 .00 13 .65 ATOM 4839 H ILE 1223 26.097 -8.112 33 .760 1 .00 0 .00 ATOM 4840 CA ILE 1223 24.318 -7.763 34 .866 1 .00 11 .24 ATOM 4841 CB ILE 1223 24.724 -8.944 35 .792 1, .00 12 .90 ATOM 4842 CG2 ILE 1223 24.025 -8.884 37 .166 1, .00 8 .32 ATOM 4843 CGI ILE 1223 24.377 -10.221 35 .054 1. .00 12, .18 ATOM 4844 CD ILE 1223 25.066 -11.480 35, .556 1. .00 14, .74 ATOM 4845 C ILE 1223 24.614 -6.396 35, .509 1. .00 10, .19 ATOM 4846 O ILE 1223 25.728 -5.880 35. .285 1. .00 9. .63 ATOM 4847 N PRO 1224 23.748 -5.694 36. .263 1. .00 11. .43 ATOM 4848 CD PRO 1224 22.306 -5.965 36. .414 1. .00 7. .97 ATOM 4849 CA PRO 1224 24.084 -4.405 36. .834 1. .00 7. .55 ATOM 4850 CB PRO 1224 22.861 -4.093 37. .629 1. .00 9. .42 ATOM 4851 CG PRO 1224 21.742 -4.611 36. .743 1. ,00 3. .67 ATOM 4852 C PRO 1224 25.385 -4.433 37. .614 1. ,00 14. .05 ATOM 4853 O PRO 1224 25.603 -5.267 38. .490 1. ,00 18. .66 ATOM 4854 N GLU 1225 26.275 -3.545 37. ,179 1. 00 13. ,58 ATOM 4855 H GLU 1225 26.005 -2.981 36. ,426 1. 00 0. ,00 ATOM 4856 CA GLU 1225 27.633 -3.336 37. ,680 1. 00 14. ,68 ATOM 4857 CB GLU 1225 27.681 -3.285 39. ,233 1. 00 17. .95 ATOM 4858 CG GLU 1225 26.836 -2.196 39. 917 1. 00 24. .12 ATOM 4859 CD GLU 1225 27.086 -0.782 39. 391 1. 00 31. 41 ATOM 4860 OEI GLU 1225 28.228 -0.304 39. 447 1. 00 30. 20 ATOM 4861 OE2 GLU 1225 26.122 -0.169 38. 917 1. 00 36. 60 ATOM 4862 C GLU 1225 28.603 -4.402 37. 208 1. 00 12. 36 ATOM 4863 O GLU 1225 29.715 -4.474 37. 705 1. 00 10. 48 ATOM 4864 N GLY 1226 28.247 -5.202 36. 203 1. 00 15. 65 ATOM 4865 H GLY 1226 27.411 -5.024 35. 728 1. 00 0. 00 ATOM 4866 CA GLY 1226 29.065 -6.317 35. 745 1. 00 16. 29 ATOM 4867 C GLY 1226 29.877 -6.033 34. 498 1. 00 14. 66 ATOM 4868 O GLY 1226 29.805 -4.940 33. 920 1. 00 13. 35 - 353 ATOM 4869 N THR 1227 30.726 -7.018 34.159 1.00 15.24 ATOM 4870 H THR 1227 30 .795 -7 .807 34 .735 1 .00 0 .00 ATOM 4871 CA THR 1227 31 .568 -6 .988 32 .958 1 .00 10 .28 ATOM 4872 CB THR 1227 32 .377 -8 .293 32 .879 1 .00 9 .42 ATOM 4873 OG1 THR 1227 33 .033 -8 .487 34 .126 1 .00 13 .78 ATOM 4874 HG1 THR 1227 33 .642 -9 .231 34 .046 1 .00 0 .00 ATOM 4875 CG2 THR 1227 33 .443 -8 .243 31 .825 1 .00 4 .54 ATOM 4876 C THR 1227 30, .659 -6 .839 31 .749 1, .00 3, .83 ATOM 4877 O THR 1227 29, .553 -7 .372 31, .758 1, .00 5, .42 ATOM 4878 N LYS 1228 31, .095 -6 .072 30 .768 1, .00 9 .81 ATOM 4879 H LYS 1228 32, .012 -5 .718 30 .808 1, .00 0. .00 ATOM 4880 CA LYS 1228 30. .345 -5, .772 29, .551 1. .00 11. .73 ATOM 4881 CB LYS 1228 30. .720 -4, .416 28, .983 1. .00 11. .23 ATOM 4882 CG LYS 1228 30. .633 -3, .200 29, .882 1. .00 10. .19 ATOM 4883 CD LYS 1228 29. .203 -2, .969 30, .270 1. .00 15. .20 ATOM 4884 CE LYS 1228 29. .100 -1, .660 31, .047 1. .00 14. .54 ATOM 4885 NZ LYS 1228 27. .704 -1. .421 31. .359 1. ,00 16. .02 ATOM 4886 HZ1 LYS 1228 27. .340 -2. .244 31. .880 1. .00 0. .00 ATOM 4887 HZ2 LYS 1228 27. .171 -1. .309 30. .473 1. .00 0. .00 ATOM 4888 HZ3 LYS 1228 27. .599 -0. .564 31. .940 1. .00 0. .00 ATOM 4889 C LYS 1228 30. .707 -6, .795 28. .493 1. .00 8. .65 ATOM 4890 0 LYS 1228 31. .897 -7, .072 28. .329 1. ,00 8. .25 ATOM 4891 N PHE 1229 29. .740 -7. .331 27. .756 1. ,00 7. .57 ATOM 4892 H PHE 1229 28. .806 -7. .093 27. .938 1. ,00 0. .00 ATOM 4893 CA PHE 1229 29. .996 -8. .334 26. .722 1. .00 11. .09 ATOM 4894 CB PHE 1229 29. ,483 -9. .753 27. ,086 1. ,00 6. ,70 ATOM 4895 CG PHE 1229 29. ,986 -10. .207 28. .450 1. .00 7. ,81 ATOM 4896 CDl PHE 1229 29. .251 -9. .901 29. .599 1. ,00 4. .30 ATOM 4897 CD2 PHE 1229 31. .184 -10. .912 28. .546 1. .00 5. .18 ATOM 4898 CEI PHE 1229 29. .723 -10. .303 30. .841 1. .00 4. .39 ATOM 4899 CE2 PHE 1229 31. .642 -11. .307 29. .794 1. ,00 2. .00 ATOM 4900 CZ PHE 1229 30. ,916 -11. .005 30. .936 1. ,00 2. .00 ATOM 4901 C PHE 1229 29. .243 -7. .961 25. .467 1. ,00 9. .05 ATOM 4902 O PHE 1229 28. .174 -7. .361 25. .535 1. .00 6. .36 ATOM 4903 N ASP 1230 29. ,752 -8. .369 24. .316 1. ,00 11. .64 ATOM 4904 H ASP 1230 30. .616 -8. .832 24. .322 1. .00 0. .00 ATOM 4905 CA ASP 1230 29. .041 -8. .183 23. .062 1. .00 10. .17 ATOM 4906 CB ASP 1230 29. .961 -8. .319 21. .875 1. .00 13. .12 ATOM 4907 CG ASP 1230 30. .845 -7, .122 21. .591 1. .00 12. .53 354 WO97/08300 P PCCTT//US96/13918 ATOM 4908 ODI ASP 1230 30.818 -6 .121 22 .303 .00 18 .42 ATOM 4909 OD2 ASP 1230 31.566 -7 .190 20 .610 1 .00 16 .16 ATOM 4910 C ASP 1230 27.944 -9 .184 22 .853 1 .00 4 .73 ATOM 4911 O ASP 1230 26.995 -8 .933 22 .121 1 .00 10 .59 ATOM 4912 N THR 1231 28.020 -10 .298 23 .534 1 .00 4 .42 ATOM 4913 H THR 1231 28.644 -10 .378 24 .281 1 .00 0 .00 ATOM 4914 CA THR 1231 27.133 -11 .398 23 .265 1 .00 8 .22 ATOM 4915 CB THR 1231 27.987 -12 .342 22 .365 .00 10 .46 ATOM 4916 OG1 THR 1231 27.951 -11 .835 21 .031 1 .00 16 .76 ATOM 4917 HG1 THR 1231 28.848 -11 .875 20 .682 1 .00 0 .00 ATOM 4918 CG2 THR 1231 27.455 -13 .705 22 .237 1 .00 19 .25 ATOM 4919 C THR 1231 26.663 -12 .002 24 .573 1 .00 7 .92 ATOM 4920 0 THR 1231 27.349 -11 .890 25 .595 1 .00 12 .71 ATOM 4921 N LEU 1232 25.496 -12 .649 24 .574 1 .00 9 .70 ATOM 4922 H LEU 1232 24.892 -12, .549 23 .803 ATOM 4923 CA LEU 1232 25.040 -13 .393 25 .742 ATOM 4924 CB LEU 1232 23.588 -13, .738 25 .630 1. .00 6, .17 ATOM 4925 CG LEU 1232 22.651 -12. .624 25, .993 .00 7, .65 ATOM 4926 CDl LEU 1232 21.261 -13. .177 25, .824 1. .00 10. .36 ATOM 4927 CD2 LEU 1232 22.852 -12. .135 27. .444 X. .00 6. .21 ATOM 4928 C LEU 1232 25.815 -14. .682 25. .902 X, .00 11. .62 ATOM 4929 O LEU 1232 26.187 -15. .071 27. .019 1. .00 11. .82 ATOM 4930 N TRP 1233 26.123 -15. .312 24. .760 1. .00 9. .01 ATOM 4931 H TRP 1233 25.729 -14. .988 23. .927 1. .00 0. .00 ATOM 4932 CA TRP 1233 26.953 -16. ,503 24. ,740 ,00 7. ,78 ATOM 4933 CB TRP 1233 27.308 -16. 919 23. 298 X 1 . 00 6. 14 ATOM 4934 CG TRP 1233 27.978 -18. ,285 23. .197 X . ,00 2. ,05 ATOM 4935 CD2 TRP 1233 29.323 -18. 581 23. .221 1 ,00 2. ,00 ATOM 4936 CΞ2 TRP 1233 29.292 -19. 979 23. 111 1. 00 2. 00 ATOM 4937 CE3 TRP 1233 30.547 -17. 921 23. 315 1. 00 2. 00 ATOM 4938 CDl TRP 1233 27.191 -19. 400 23. 080 1. 00 2. 03 ATOM 4939 NEI TRP 1233 28.021 -20. 410 23. 028 1. 00 6. 75 ATOM 4940 HEI TRP 1233 27.741 -21. 338 22. 871 1. 00 0. 00 ATOM 4941 CZ2 TRP 1233 30.463 -20. 727 23. 097 1. 00 2. 00 ATOM 4942 CZ3 TRP 1233 31.728 -18. 659 23. 305 1. 00 5. 65 ATOM 4943 CH2 TRP 1233 31.685 -20. 056 23. 196 1. 00 8. 83 ATOM 4944 C TRP 1233 28.248 -16. 248 25. 501 1. 00 6. 51 ATOM 4945 O TRP 1233 28.604 -16. 992 26. 411 1. 00 8. 36 ATOM 4946 N GLN 1234 28.927 -15. 161 25. 118 1. 00 6. 74 355 ATOM 4947 H GLN 1234 28.578 -14.655 24.365 1.00 0.00 ATOM 4948 CA GLN 1234 30 .182 -14 .723 25 .713 1 .00 6 .24 ATOM 4949 CB GLN 1234 30 .769 -13 .507 24 .949 1 .00 6 .13 ATOM 4950 CG GLN 1234 31 .525 -13 .836 23 .664 1 .00 7 .76 ATOM 4951 CD GLN 1234 31 .929 -12 .648 22 .780 1 .00 12 .06 ATOM 4952 OEI GLN 1234 31 .120 -11 .778 22 .460 1 .00 11 .95 ATOM 4953 NE2 GLN 1234 33 .160 -12 .557 22 .297 1 .00 8 .30 ATOM 4954 HE21 GLN 1234 33 .803 -13 .271 22 .504 1 .00 0. .00 ATOM 4955 HE22 GLN 1234 33 .377 -11 .805 21 .722 1, .00 0, .00 ATOM 4956 C GLN 1234 30 .026 -14 .340 27 .182 1 .00 5. .31 ATOM 4957 O GLN 1234 30 .995 -14 .494 27 .937 1. .00 7, .22 ATOM 4958 N LEU 1235 28 .850 -13 .859 27 .606 1, .00 4. .55 ATOM 4959 H LEU 1235 28, .120 -13 .713 26, .974 1. .00 0. .00 ATOM 4960 CA LEU 1235 28, .597 -13 .569 28. .994 1. .00 8, .63 ATOM 4961 CB LEU 1235 27, .231 -12, .857 29, .140 1. .00 9. ,71 ATOM 4962 CG LEU 1235 26, .722 -12, .482 30, .569 1. .00 7. ,20 ATOM 4963 CDl LEU 1235 25. .924 -11. .192 30. .485 1. ,00 2. ,81 ATOM 4964 CD2 LEU 1235 25. .848 -13. .594 31. .163 1. .00 6. ,19 ATOM 4965 C LEU 1235 28. .625 -14. .879 29. .772 1. ,00 9. ,27 ATOM 4966 O LEU 1235 29. .360 -14. .988 30. .753 1. ,00 10. .18 ATOM 4967 N VAL 1236 27. .889 -15. .910 29. .353 1. ,00 12. .76 ATOM 4968 H VAL 1236 27. .318 -15. .788 28. .566 1. ,00 0. .00 ATOM 4969 CA VAL 1236 27. .901 -17. .188 30. .044 1. ,00 11. ,18 ATOM 4970 CB VAL 1236 26. .875 -18. .083 29. .370 1. ,00 6. ,81 ATOM 4971 CGI VAL 1236 27. .052 -19. .548 29, .745 1. 00 4. .71 ATOM 4972 CG2 VAL 1236 25. .526 -17. .624 29. .837 1. ,00 2. ,00 ATOM 4973 C VAL 1236 29. .293 -17. .815 30. .042 1. 00 12. ,39 ATOM 4974 O VAL 1236 29. .800 -18. .173 31. .112 1. ,00 16. .48 ATOM 4975 N GLU 1237 29. ,966 -17. .869 28. .888 1. 00 7. 45 ATOM 4976 H GLU 1237 29. ,542 -17. .501 28. ,083 1. 00 0. ,00 ATOM 4977 CA GLU 1237 31. ,285 -18. .450 28. ,794 1. 00 5. .69 ATOM 4978 CB GLU 1237 31. ,731 -18. .299 27. .366 1. 00 12. .37 ATOM 4979 CG GLU 1237 32. ,556 -19. .469 26. ,872 1. 00 21. ,76 ATOM 4980 CD GLU 1237 31. .960 -20. .854 27. .108 1. ,00 21. .61 ATOM 4981 OEI GLU 1237 32. ,730 -21. .731 27. ,468 1. 00 29. ,48 ATOM 4982 OE2 GLU 1237 30. ,754 -21. .067 26. .960 1. ,00 24. .95 ATOM 4983 C GLU 1237 32. ,303 -17. .857 29. ,750 1. 00 9. ,53 ATOM 4984 O GLU 1237 33. ,099 -18. .560 30. .379 1. 00 8. ,53 ATOM 4985 N TYR 1238 32. ,261 -16. .545 29. ,937 1. 00 11. ,77 - 356 - BSTITUTE SHEET (RULE 25) ATOM 44998866 HH TYR 1238 31.610 -16.008 29.438 1.00 0.00 ATOM 4987 CA TYR 1238 33 .181 -15 .884 30 .855 1 .00 12 .69 ATOM 4988 CB TYR 1238 33 .102 -14 .389 30 .537 1 .00 11 .45 ATOM 4989 CG TYR 1238 34 .083 -13 .475 31 .255 1 .00 10 .47 ATOM 4990 CDl TYR 1238 35 .341 -13 .231 30 .706 1 .00 9 .86 ATOM 4991 CEI TYR 1238 36 .222 -12 .369 31 .370 1 .00 13 .93 ATOM 4992 CD2 TYR 1238 33 .714 -12 .862 32 .460 1 .00 8 .70 ATOM 4993 CE2 TYR 1238 34 .589 -12 .001 33 .122 1 .00 7 .89 ATOM 4994 CZ TYR 1238 35 .840 -11 .757 32 .571 1 .00 11 .90 ATOM 4995 OH TYR 1238 36 .698 -10 .874 33 .204 1 .00 16 .71 ATOM 4996 HH TYR 1238 37 .612 -11 .155 33 .062 1 .00 0 .00 ATOM 4997 C TYR 1238 32 .828 -16 .208 32 .320 1 .00 11 .56 ATOM 4998 O TYR 1238 33 .719 -16 .478 33 .140 1 .00 13 .31 ATOM 4999 N LEU 1239 31, .544 -16 .300 32 .689 1 .00 10. .97 ATOM 5000 H LEU 1239 30 .845 -16. .189 32 .007 1 .00 0 .00 ATOM 5001 CA LEU 1239 31, .164 -16 .540 34 .075 1 .00 7. .36 ATOM 5002 CB LEU 1239 29. .747 -16. .092 34, .317 1. .00 5. .23 ATOM 5003 CG LEU 1239 29. .391 -14, .668 33, .989 1, .00 9. .04 ATOM 5004 CDl LEU 1239 27. .892 -14. .500 34. .192 1. .00 7. .48 ATOM 5005 CD2 LEU 1239 30. .230 -13. .709 34. .820 1. .00 9. .75 ATOM 5006 C LEU 1239 31. .285 -17. .990 34. .484 1. .00 6. .04 ATOM 5007 O LEU 1239 31. .016 -18. .368 35. .620 1. .00 9. .78 ATOM 5008 N LYS 1240 31. .625 -18. .847 33. .532 1. .00 10. .64 ATOM 5009 H LYS 1240 31. .561 -18. .558 32. .596 1. .00 0. ,00 ATOM 5010 CA LYS 1240 31. .970 -20. .225 33. .816 1. .00 9. .28 ATOM 5011 CB LYS 1240 31. ,917 -21. ,088 32. .558 1. .00 3. ,87 ATOM 5012 CG LYS 1240 30. 545 -21. ,458 32. 032 1. 00 4. 02 ATOM 5013 CD LYS 1240 30. ,731 -22. ,176 30. .691 1. 00 8. ,38 ATOM 5014 CE LYS 1240 29. 404 -22. 644 30. 101 1. 00 11. 25 ATOM 5015 NZ LYS 1240 29. 581 -23. 179 28. .763 1. 00 17. 56 ATOM 5016 HZ1 LYS 1240 30. 253 -23. 972 28. 793 1. 00 0. 00 ATOM 5017 HZ2 LYS 1240 29. 957 -22. 435 28. 144 1. 00 0. 00 ATOM 5018 HZ3 LYS 1240 28. 667 -23. 511 28. 392 1. 00 0. 00 ATOM 5019 C LYS 1240 33. 399 -20. 241 34. 343 1. 00 14. 71 ATOM 5020 O LYS 1240 33. 787 -21. 138 35. 094 1. 00 21. 55 ATOM 5021 N LEU 1241 34. 217 -19. 259 33. 962 1. 00 13. 94 ATOM 5022 H LEU 1241 33. 862 -18. 519 33. 428 1. 00 0. 00 ATOM 5023 CA LEU 1241 35. 600 -19. 248 34. 355 1. 00 14. 58 ATOM 5024 CB LEU 1241 36. 457 -18. 634 33. 282 1. 00 22. 23 357 - ATOM 5025 CG LEU 1241 36.223 -18.933 31.805 1.00 31.30 ATOM 5026 CDl LEU 1241 37 .045 -17 .959 30 .950 1 .00 30 .14 ATOM 5027 CD2 LEU 1241 36 .540 -20 .398 31 .541 1 .00 28 .41 ATOM 5028 C LEU 1241 35 .805 -18 .442 35 .625 1 .00 18 .17 ATOM 5029 O LEU 1241 36 .656 -18 .766 36 .475 1 .00 19 .31 ATOM 5030 N LYS 1242 35 .110 -17 .310 35 .729 1 .00 18 .52 ATOM 5031 H LYS 1242 34 .467 -17 .041 35 .035 1 .00 0 .00 ATOM 5032 CA LYS 1242 35 .258 -16 .445 36 .891 1 .00 18 .29 ATOM 5033 CB LYS 1242 36 .053 -15, .163 36 .596 1, .00 17, .78 ATOM 5034 CG LYS 1242 37 .404 -15, .288 35 .877 1. .00 20, .93 ATOM 5035 CD LYS 1242 37, .182 -15, .155 34 .356 1. .00 26, .47 ATOM 5036 CE LYS 1242 38, .487 -15. .277 33 .558 1. .00 28. .84 ATOM 5037 NZ LYS 1242 39, .399 -14, .166 33 .786 1. .00 31. .56 ATOM 5038 HZ1 LYS 1242 39, .650 -14, .113 34, .794 1. .00 0. .00 ATOM 5039 HZ2 LYS 1242 38. .931 -13. .284 33, .496 1. .00 0. .00 ATOM 5040 HZ3 LYS 1242 40. .258 -14. .304 33, .217 1. .00 0. .00 ATOM 5041 C LYS 1242 33. .857 -16. .045 37. .277 1. .00 14. .54 ATOM 5042 O LYS 1242 33. .082 -15. .650 36. .417 1. .00 14. .69 ATOM 5043 N ALA 1243 33. .500 -16. .159 38. .560 1. ,00 16. .03 ATOM 5044 H ALA 1243 34. .150 -16. .545 39. .191 1. .00 0. .00 ATOM 5045 CA ALA 1243 32. .167 -15. .817 39. .016 1. ,00 10. .30 ATOM 5046 CB ALA 1243 32. .002 -16. .130 40. .481 1. ,00 10. .45 ATOM 5047 C ALA 1243 31. .876 -14. .351 38. .822 1. ,00 11. ,11 ATOM 5048 O ALA 1243 30. .729 -13. .955 38. .615 1. ,00 18. .39 ATOM 5049 N ASP 1244 32. .901 -13. .511 38. .964 1. ,00 13. .67 ATOM 5050 H ASP 1244 33. .748 -13. .880 39. .280 1. ,00 0. .00 ATOM 5051 CA ASP 1244 32. .808 -12. .097 38. .658 1. .00 12. .02 ATOM 5052 CB ASP 1244 32. .796 -12. .085 37. .119 1. ,00 17. .69 ATOM 5053 CG ASP 1244 32. .791 -10. .744 36. .408 1. .00 21. .88 ATOM 5054 ODI ASP 1244 32. .043 -10. .598 35. .445 1. .00 22. .59 ATOM 5055 OD2 ASP 1244 33. .537 -9. .863 36. .812 1. ,00 16. .27 ATOM 5056 C ASP 1244 31. .633 -11. .379 39. .334 1. .00 11. .11 ATOM 5057 O ASP 1244 30. .905 -10. .591 38. .733 1. .00 12. .88 ATOM 5058 N GLY 1245 31. .431 -11. .645 40. .623 1. .00 11. .66 ATOM 5059 H GLY 1245 32. .035 -12. .271 41. .067 1. .00 0, .00 ATOM 5060 CA GLY 1245 30. .360 -11. .041 41. .394 1. .00 4, .05 ATOM 5061 C GLY 1245 29. .186 -11. .970 41. .654 1. .00 6, .06 ATOM 5062 O GLY 1245 28. .328 -11. .641 42. .478 1. .00 4, .56 ATOM 5063 N LEU 1246 29. .027 -13. .078 40. .924 1. .00 6, .26 - 358 ATOM 5064 H LEU 1246 29.670 -13.274 40.209 1.00 0.00 ATOM 5065 CA LEU 1246 27 .937 -14 .037 41 .135 1 .00 8 .93 ATOM 5066 CB LEU 1246 27 .839 -15 .104 40 .061 1 .00 5 .31 ATOM 5067 CG LEU 1246 27 .674 -14 .752 38 .606 1 .00 5 .46 ATOM 5068 CDl LEU 1246 27 .924 -16 .009 37 .796 1 .00 2 .14 ATOM 5069 CD2 LEU 1246 26 .331 -14 .139 38 .380 1 .00 2 .00 ATOM 5070 C LEU 1246 28 .187 -14 .819 42 .407 X .00 11 .01 ATOM 5071 O LEU 1246 29 .351 -14 .975 42 .786 1 .00 13 .17 ATOM 5072 N ILE 1247 27 .168 -15 .397 43 .047 1 .00 11 .83 ATOM 5073 H ILE 1247 26 .238 -15 .238 42 .765 1 .00 0 .00 ATOM 5074 CA ILE 1247 27 .449 -16 .185 44 .231 1 .00 12 .55 ATOM 5075 CB ILE 1247 26 .078 -16 .432 44 .900 1 .00 11 .32 ATOM 5076 CG2 ILE 1247 25 .248 -17 .439 44 .094 1 .00 11 .69 ATOM 5077 CGI ILE 1247 26 .338 -16 .845 46 .362 1 .00 4, .92 ATOM 5078 CD ILE 1247 25 .094 -16 .664 47 .211 1, .00 2. .58 ATOM 5079 C ILE 1247 28 .257 -17 .473 43 .954 1 .00 16, .34 ATOM 5080 O ILE 1247 28, .851 -18 .047 44 .880 1, .00 13. .40 ATOM 5081 N TYR 1248 28, .363 -17, .894 42, .676 1. .00 15. .02 ATOM 5082 H TYR 1248 27. .947 -17. .387 41, .950 1. .00 0. .00 ATOM 5083 CA TYR 1248 29. .092 -19. .088 42. .274 1. .00 12. .39 ATOM 5084 CB TYR 1248 28. .289 -20. .366 42. .625 1. .00 9. .23 ATOM 5085 CG TYR 1248 29. .191 -21. .564 42. .880 1. ,00 8. .97 ATOM 5086 CDl TYR 1248 29. .429 -22. .516 41. .885 1. ,00 10. .00 ATOM 5087 CEI TYR 1248 30. .306 -23. .572 42. .130 1. ,00 8. .55 ATOM 5088 CD2 TYR 1248 29. .824 -21. .676 44. .119 1. 00 9. .95 ATOM 5089 CE2 TYR 1248 30. .701 -22. ,732 44. ,368 1. 00 6. .09 ATOM 5090 CZ TYR 1248 30. ,935 -23. ,669 43. ,374 1. 00 3. .83 ATOM 5091 OH TYR 1248 31. ,815 -24. ,695 43. ,637 1. 00 12. 23 ATOM 5092 HH TYR 1248 31. 879 -25. ,262 42. ,861 1. 00 0. 00 ATOM 5093 C TYR 1248 29. 277 -19. 017 40. 768 1. 00 11. 96 ATOM 5094 O TYR 1248 28. 492 -18. 350 40. 093 1. 00 10. 19 ATOM 5095 N CYS 1249 30. 301 -19. 689 40. 247 1. 00 12. 38 ATOM 5096 H CYS 1249 30. 939 -20. 117 40. 855 1. 00 0. 00 ATOM 5097 CA CYS 1249 30. 535 -19. 856 38. 815 1. 00 17. 03 ATOM 5098 CB CYS 1249 31. 812 -20. 599 38. 512 1. 00 14. 50 ATOM 5099 SG CYS 1249 33. 232 -19. 521 38. 611 1. 00 29. 55 ATOM 5100 C CYS 1249 29. 460 -20. 670 38. 127 1. 00 14. 34 ATOM 5101 O CYS 1249 28. 821 -21. 562 38. 699 1. 00 15. 48 ATOM 5102 N LEU 1250 29. 284 -20. 385 36. 853 1. 00 13. 47 - 359 - ATOM 5103 H LEU 1250 29.860 -19.715 36.427 X.00 0.00 ATOM 5104 CA LEU 1250 28 .363 -21 .157 36 .061 .00 14 .95 ATOM 5105 CB LEU 1250 28 .039 -20 .406 34 .787 1 .00 7 .93 ATOM 5106 CG LEU 1250 27 .434 -19 .026 34 .950 1 .00 3 .87 ATOM 5107 CDl LEU 1250 26 .912 -18 .579 33 .605 1 .00 2 .00 ATOM 5108 CD2 LEU 1250 26 .318 -19 .043 35 .979 1 .00 8 .53 ATOM 5109 C LEU 1250 29 .134 -22 .439 35 .790 1 .00 15 .93 ATOM 5110 O LEU 1250 30 .301 -22 .424 35 .407 1 .00 19 .86 ATOM 5111 N LYS 1251 28 .504 -23 .545 36 .126 1 .00 17 .94 ATOM 5112 H LYS 1251 27. .570 -23 .472 36, .389 1 .00 0, .00 ATOM 5113 CA LYS 1251 29, .104 -24, .851 36, .032 1, .00 21, .49 ATOM 5114 CB LYS 1251 29, .070 -25, .527 37, .415 1, .00 19, .69 ATOM 5115 CG LYS 1251 30, .428 -25, .703 38, .058 1, .00 24. .61 ATOM 5116 CD LYS 1251 31. .108 -24, .378 38. .326 1, .00 26. .63 ATOM 5117 CE LYS 1251 32. .563 -24, .607 38. .683 1, .00 32. .65 ATOM 5118 NZ LYS 1251 32. .687 -25. .364 39. .912 1. .00 38. .55 ATOM 5119 HZ1 LYS 1251 32. .281 -26. .314 39. .795 1. .00 0. .00 ATOM 5120 HZ2 LYS 1251 32. .183 -24. .861 40. .672 1. .00 0. .00 ATOM 5121 HZ3 LYS 1251 33. .692 -25. .446 40. .160 1. .00 0. .00 ATOM 5122 C LYS 1251 28. .355 -25. .684 35. .012 1. .00 21. .80 ATOM 5123 O LYS 1251 28. .712 -25. .723 33. .829 1. ,00 26. .89 ATOM 5124 N GLU 1252 27. .241 -26. .266 35. .447 1. .00 18. .32 ATOM 5125 H GLU 1252 26. .845 -25. .961 36. .290 1. .00 0. .00 ATOM 5126 CA GLU 1252 26. .502 -27. .236 34. .685 1. ,00 16. .59 ATOM 5127 CB GLU 1252 26. .147 -28. .341 35. ,653 1. ,00 24. .16 ATOM 5128 CG GLU 1252 25. .066 -29. .361 35. ,347 1. ,00 37. .83 ATOM 5129 CD GLU 1252 24. .682 -30. .193 36. .571 1. ,00 46. ,82 ATOM 5130 OEI GLU 1252 25. .571 -30. .646 37. .298 1. .00 52. .14 ATOM 5131 OE2 GLU 1252 23. .487 -30. .392 36. .804 1. ,00 53. .93 ATOM 5132 C GLU 1252 25. .294 -26. .579 34. .093 1. ,00 15. .45 ATOM 5133 O GLU 1252 24. .542 -25. .938 34. .821 1. .00 12. .45 ATOM 5134 N ALA 1253 25. .134 -26. .714 32. .776 1. .00 15. .62 ATOM 5135 H ALA 1253 25. .821 -27. .186 32. .272 1. .00 0. .00 ATOM 5136 CA ALA 1253 23. .974 -26. .228 32. .050 1. .00 12. .65 ATOM 5137 CB ALA 1253 24. .130 -26. .360 30. .548 X , .00 5. .87 ATOM 5138 C ALA 1253 22. .785 -27. .080 32. .420 1. .00 14. .00 ATOM 5139 O ALA 1253 22. .886 -28. .304 32. .502 1. .00 17. .74 ATOM 5140 N CYS 1254 21. .668 -26. .433 32. .709 1. .00 16. .80 ATOM 5141 H CYS 1254 21. .680 -25. .457 32. ,687 1. ,00 0. .00 - 360 - ATOM 5142 CA CYS 1254 20.428 -27.114 32.952 1.00 14.88 ATOM 5143 CB CYS 1254 19.533 -26 .275 33.838 1.00 7 .31 ATOM 5144 SG CYS 1254 17.934 -27 .060 34.181 1.00 11 .48 ATOM 5145 C CYS 1254 19.843 -27 .234 31.545 1.00 19 .32 ATOM 5146 O CYS 1254 19.494 -26 .207 30.956 1.00 20 .54 ATOM 5147 N PRO 1255 19.737 -28 .427 30.937 1.00 24 .66 ATOM 5148 CD PRO 1255 19.747 -29 .716 31.620 1.00 23 .90 ATOM 5149 CA PRO 1255 19.454 -28 .617 29.522 1.00 25 .94 ATOM 5150 CB PRO 1255 19.916 -30 .024 29.277 1.00 25 .59 ATOM 5151 CG PRO 1255 19.392 -30 .703 30.520 1.00 25 .86 ATOM 5152 C PRO 1255 17.998 -28 .370 29.178 1.00 27 .93 ATOM 5153 O PRO 1255 17.101 -28 .478 30.031 1.00 28 .94 ATOM 5154 N ASN 1256 17.819 -27 .884 27.961 1.00 33, .02 ATOM 5155 H ASN 1256 18.564 -27 .819 27.329 1.00 0 .00 ATOM 5156 CA ASN 1256 16.494 -27 .679 27.418 1.00 36, .15 ATOM 5157 CB ASN 1256 16.500 -26, .480 26.412 1.00 40, .46 ATOM 5158 CG ASN 1256 17.538 -26, .371 25.280 1.00 43. .38 ATOM 5159 ODI ASN 1256 18.465 -27. .162 25.085 1.00 49. .15 ATOM 5160 ND2 ASN 1256 17.492 -25. .289 24.509 1.00 47. .41 ATOM 5161 HD21 ASN 1256 16.828 -24. .602 24.706 1.00 0. .00 ATOM 5162 HD22 ASN 1256 18.165 -25. .229 23.805 1.00 0. .00 ATOM 5163 C ASN 1256 16.026 -28. .969 26.747 1.00 37. .74 ATOM 5164 O ASN 1256 14.817 -29. .127 26.588 1.00 40. .27 ATOM 5165 OT ASN 1256 16.858 -29. ,832 26.440 1.00 37. ,85 ATOM 5166 CB ASN 1301 9.323 -7. ,474 39.011 1.00 72. ,83 ATOM 5167 CG ASN 1301 8.164 -8. 460 38.892 1.00 75. 21 ATOM 5168 ODI ASN 1301 8.313 -9. ,453 38.175 1.00 77. ,67 ATOM 5169 ND2 ASN 1301 7.018 -8. ,265 39.523 1.00 73. ,86 ATOM 5170 HD21 ASN 1301 6.864 -7. 453 40.049 1.00 0. 00 ATOM 5171 HD22 ASN 1301 6.359 -8. 991 39.479 1.00 0. 00 ATOM 5172 C ASN 1301 10.948 -9. 156 40.037 1.00 69. 93 ATOM 5173 O ASN 1301 11.680 -10. 106 39.751 1.00 71. 07 ATOM 5174 HT1 ASN 1301 10.055 -9. 516 37.599 1.00 0. 00 ATOM 5175 HT2 ASN 1301 11.673 -9. 582 37.951 1.00 0. 00 ATOM 5176 N ASN 1301 10.898 -8. 913 37.721 1.00 71. 59 ATOM 5177 HT3 ASN 1301 11.124 -8. 372 36.873 1.00 0. 00 ATOM 5178 CA ASN 1301 10.741 -8. 118 38.933 1.00 71. 90 ATOM 5179 N GLN 1302 10.329 -9. 121 41.226 1.00 66. 66 ATOM 5180 H GLN 1302 9.648 -8. 440 41.394 1.00 0. 00 361 - ATOM 5181 CA GLN 1302 10.602 -10.013 42.356 1.00 61.49 ATOM 5182 CB GLN 1302 10.414 -11 .513 41 .988 1 .00 62.07 ATOM 5183 CG GLN 1302 9.203 -11 .902 41 .135 1 .00 62.59 ATOM 5184 CD GLN 1302 7.876 -11 .373 41 .651 1 .00 64.61 ATOM 5185 OEI GLN 1302 7.588 -10 .173 41 .632 1 .00 60.30 ATOM 5186 NE2 GLN 1302 7.015 -12 .263 42 .117 1, .00 66.75 ATOM 5187 HE21 GLN 1302 7.256 -13, .211 42 .101 1, .00 0.00 ATOM 5188 HE22 GLN 1302 6.171 -11, .916 42, .471 1, .00 0.00 ATOM 5189 C GLN 1302 12.043 -9, .756 42, .803 1, .00 56.80 ATOM 5190 O GLN 1302 12.552 -8 .645 42 .573 1, .00 58.90 ATOM 5191 N LEU 1303 12.761 -10, .678 43, .432 1, .00 49.38 ATOM 5192 H LEU 1303 12.476 -11, .612 43, .456 1, .00 0.00 ATOM 5193 CA LEU 1303 14.082 -10, .350 43, .932 1. .00 43.43 ATOM 5194 CB LEU 1303 14.394 -11, .073 45, .273 1. .00 51.18 ATOM 5195 CG LEU 1303 13.555 -11, .102 46, .592 1. .00 54.39 ATOM 5196 CDl LEU 1303 13.147 -9, .676 46. .963 1. .00 55.27 ATOM 5197 CD2 LEU 1303 12.345 -12. .030 46. .439 1. .00 52.47 ATOM 5198 C LEU 1303 15.145 -10. .760 42. .930 1. .00 35.27 ATOM 5199 O LEU 1303 15.238 -11. .950 42. .605 1. .00 32.57 ATOM 5200 N PTY 1304 15.912 -9. .820 42. .382 1. ,00 27.69 ATOM 5201 H PTY 1304 15.739 -8. .867 42. .521 1. ,00 0.00 ATOM 5202 CA PTY 1304 17.072 -10. .190 41. .594 1. ,00 21.92 ATOM 5203 CB PTY 1304 17.224 -9. .402 40. .276 1. .00 20.89 ATOM 5204 CG PTY 1304 16.247 -9. .844 39. .214 1. .00 15.14 ATOM 5205 CDl PTY 1304 16.425 -11. .042 38. .469 1. ,00 9.03 ATOM 5206 CEI PTY 1304 15.461 -11. .487 37. .558 1. .00 7.86 ATOM 5207 CD2 PTY 1304 15.081 -9. .117 38. .994 1. ,00 14.16 ATOM 5208 CΞ2 PTY 1304 14.127 -9. .556 38. .083 1. .00 16.68 ATOM 5209 CZ PTY 1304 14.290 -10. .742 37. .368 1. .00 12.39 ATOM 5210 OH PTY 1304 13.224 -11. .076 36, .557 1. .00 13.70 ATOM 5211 ORI PTY 1304 11.117 -11. .770 37. .454 1. .00 13.77 ATOM 5212 OR2 PTY 1304 12.831 -13. .521 37. .365 1. .00 17.79 ATOM 5213 OR3 PTY 1304 11.748 -12. .738 35. .436 1. .00 12.59 ATOM 5214 PR PTY 1304 12.271 -12. .339 36. .718 1. .00 16.46 ATOM 5215 C PTY 1304 18.265 -9. .885 42, .458 1. .00 17.48 ATOM 5216 O PTY 1304 18.382 -8. .871 43. .148 1. .00 20.06 ATOM 5217 N ASN 1305 19.163 -10. .830 42, .439 1. .00 11.57 ATOM 5218 H ASN 1305 19.013 -11, .584 41 .839 1 .00 0.00 ATOM 5219 CA ASN 1305 20.348 -10 .769 43 .231 1 .00 10.89 362 - ATOM 5220 CB ASN 1305 20.897 -12.206 43.301 1.00 9.69 ATOM 5221 CG ASN 1305 19 .929 -13 .128 44 .046 1 .00 12 .13 ATOM 5222 ODI ASN 1305 19 .026 -13 .796 43 .514 1 .00 8 .54 ATOM 5223 ND2 ASN 1305 20 .109 -13 .180 45 .355 1 .00 20 .02 ATOM 5224 HD21 ASN 1305 20 .850 -12 .685 45 .758 1 .00 0 .00 ATOM 5225 HD22 ASN 1305 19 .470 -13 .717 45 .882 1 .00 0 .00 ATOM 5226 C ASN 1305 21 .314 -9 .761 42 .640 1 .00 13 .84 ATOM 5227 O ASN 1305 21 .316 -9 .521 41 .431 1 .00 14 .72 ATOM 5228 N GLU 1306 22 .119 -9 .125 43 .500 1 .00 17 .11 ATOM 5229 H GLU 1306 22 .146 -9 .423 44 .427 1 .00 0 .00 ATOM 5230 CA GLU 1306 23 .059 -8 .084 43 .133 1 .00 15 .21 ATOM 5231 CB GLU 1306 23 .022 -7 .000 44 .220 1 .00 20 .16 ATOM 5232 CG GLU 1306 23 .202 -5 .502 43 .874 1 .00 35 .24 ATOM 5233 CD GLU 1306 24 .611 -4 .903 43 .721 1. .00 40 .84 ATOM 5234 OEI GLU 1306 24, .823 -4 .103 42 .797 1, .00 43 .49 ATOM 5235 OE2 GLU 1306 25, .484 -5 .205 44 .539 1, .00 37, .95 ATOM 5236 C GLU 1306 24. .401 -8 .777 43, .086 1, .00 13, .63 ATOM 5237 O GLU 1306 24. .599 -9. .803 43, .747 1. .00 14, .90 ATOM 5238 N LEU 1307 25. .352 -8. .248 42. .332 1. .00 11. .69 ATOM 5239 H LEU 1307 25. .164 -7. .407 41. .864 1. .00 0. .00 ATOM 5240 CA LEU 1307 26. .670 -8. .833 42. .280 1. .00 11. .19 ATOM 5241 CB LEU 1307 27. .404 -8. .414 40. .995 1. .00 10. .57 ATOM 5242 CG LEU 1307 26. .812 -8. .812 39. .637 1. .00 11. .70 ATOM 5243 CDl LEU 1307 27. .636 -8. .170 38. .547 1. ,00 7. .23 ATOM 5244 CD2 LEU 1307 26. .848 -10. .319 39. .429 1. ,00 3. .92 ATOM 5245 C LEU 1307 27. .492 -8. .390 43. .481 1. ,00 12. .34 ATOM 5246 O LEU 1307 27. ,324 -7. .310 44. .041 1. ,00 8. .93 ATOM 5247 N ASN 1308 28. ,429 -9. .220 43. ,898 1. 00 13. ,03 ATOM 5248 H ASN 1308 28. ,504 -10. ,085 43. ,458 1. 00 0. ,00 ATOM 5249 CA ASN 1308 29. 361 -8. .907 44. ,955 1. 00 14. ,89 ATOM 5250 CB ASN 1308 29. 793 -10. ,191 45. ,614 1. 00 14. .55 ATOM 5251 CG ASN 1308 30. 548 -10. ,004 46. 911 1. 00 16. ,39 ATOM 5252 ODI ASN 1308 31. 546 -9. ,285 46. 976 1. 00 17. ,52 ATOM 5253 ND2 ASN 1308 30. 128 -10. ,694 47. 966 1. 00 16. ,30 ATOM 5254 HD21 ASN 1308 29. 391 -11. 337 47. 816 1. 00 0. ,00 ATOM 5255 HD22 ASN 1308 30. 558 -10. 549 48. 836 1. 00 0. 00 ATOM 5256 C ASN 1308 30. 526 -8. 231 44. 239 1. 00 19. 27 ATOM 5257 O ASN 1308 31. 398 -8. 849 43. 604 1. 00 16. 77 ATOM 5258 N LEU 1309 30. 458 -6. 902 44. 309 1. 00 19. 96 363 ATOM 5259 H LEU 1309 29.675 -6.517 44.757 1.00 0.00 ATOM 5260 CA LEU 1309 31 .392 -5 .992 43 .662 1 .00 18 .16 ATOM 5261 CB LEU 1309 30 .962 -4 .545 43 .948 1 .00 14 .91 ATOM 5262 CG LEU 1309 29 .980 -3 .827 42 .984 1 .00 20 .31 ATOM 5263 CDl LEU 1309 28 .777 -4 .662 42 .645 1 .00 20 .12 ATOM 5264 CD2 LEU 1309 29 .492 -2 .563 43 .662 1 .00 22 .61 ATOM 5265 C LEU 1309 32, .841 -6 .177 44 .027 1, .00 18 .95 ATOM 5266 O LEU 1309 33 .700 -5 .840 43 .220 1, .00 19 .70 ATOM 5267 N GLY 1310 33 .179 -6 .740 45 .192 1 .00 24. .64 ATOM 5268 H GLY 1310 32 .490 -7 .028 45 .825 1, .00 0. .00 ATOM 5269 CA GLY 1310 34 .577 -7 .013 45, .518 1, .00 21. .96 ATOM 5270 C GLY 1310 35, .074 -8 .325 44, .899 1, .00 25, .29 ATOM 5271 O GLY 1310 36, .249 -8, .662 45, .035 1, .00 25, .13 ATOM 5272 N ARG 1311 34. .210 -9, .106 44. .230 1. .00 25. .06 ATOM 5273 H ARG 1311 33. .270 -8, .844 44. .178 1. .00 0. .00 ATOM 5274 CA ARG 1311 34. .616 -10, .357 43. .608 1. .00 28. .30 ATOM 5275 CB ARG 1311 33. .672 -11. .452 44. .107 1. .00 34. .71 ATOM 5276 CG ARG 1311 34. .141 -12. .201 45. .357 1. .00 39. .05 ATOM 5277 CD ARG 1311 35. .342 -13. .058 44. .978 1. .00 48. .06 ATOM 5278 NE ARG 1311 35. .599 -14. .117 45. ,937 1. ,00 55. ,93 ATOM 5279 HE ARG 1311 34. .910 -14. .798 46. .082 1. .00 0. .00 ATOM 5280 CZ ARG 1311 36. .749 -14. .216 46. .617 1. .00 63. .14 ATOM 5281 NHI ARG 1311 37. .744 -13. .337 46. .455 1. .00 67. .95 ATOM 5282 HH11 ARG 1311 37. .646 -12, .581 45. .806 1. .00 0. .00 ATOM 5283 HHl2 ARG 1311 38. .588 -13, .433 46. .982 1. .00 0, .00 ATOM 5284 NH2 ARG 1311 36. .902 -15, .213 47. .494 1. .00 66, .62 ATOM 5285 HH21 ARG 1311 36. .168 -15. .876 47. .633 1. .00 0. .00 ATOM 5286 HH22 ARG 1311 37. .757 -15. .294 48. .007 1. .00 0. .00 ATOM 5287 C ARG 1311 34. .620 -10. .284 42. .079 1. .00 27. .99 ATOM 5288 O ARG 1311 34. .700 -11. .280 41. .345 1. .00 30. .80 ATOM 5289 N ARG 1312 34. .476 -9. .062 41. .589 1. .00 25, .90 ATOM 5290 H ARG 1312 34. .477 -8, .309 42. .214 1. .00 0, .00 ATOM 5291 CA ARG 1312 34. .500 -8, .764 40. .177 1. .00 21, .56 ATOM 5292 CB ARG 1312 33. .926 -7, .381 39. .926 1. .00 20, .04 ATOM 5293 CG ARG 1312 32. .424 -7, .339 39. .718 1. .00 21, .41 ATOM 5294 CD ARG 1312 32. .166 -6, .440 38. .507 1. .00 25, .51 ATOM 5295 NE ARG 1312 33. .042 -6, .760 37. .375 1. .00 23 .48 ATOM 5296 HE ARG 1312 33, .472 -7 .639 37. .346 1. .00 0 .00 ATOM 5297 CZ ARG 1312 33, .309 -5 .896 36, .376 1. .00 30 .45 364 ATOM 5298 NHI ARG 1312 32.789 -4.660 36.302 1.00 24.19 ATOM 5299 HH11 ARG 1312 32 .161 -4 .342 37 .011 1 .00 0 .00 ATOM 5300 HHl2 ARG 1312 33 .024 -4 .067 35 .532 1 .00 0 .00 ATOM 5301 NH2 ARG 1312 34 .166 -6 .270 35 .429 1 .00 29 .90 ATOM 5302 HH21 ARG 1312 34 .591 -7 .174 35 .474 1 .00 0 .00 ATOM 5303 HH22 ARG 1312 34 .377 -5 .651 34 .673 1 .00 0 .00 ATOM 5304 C ARG 1312 35 .910 -8 .811 39 .631 1 .00 19 .53 ATOM 5305 O ARG 1312 36 .887 -8 .561 40 .322 1 .00 19 .04 ATOM 5306 N GLU 1313 35 .998 -9 .116 38 .349 1 .00 24 .10 ATOM 5307 H GLU 1313 35 .184 -9 .226 37 .837 1 .00 0 .00 ATOM 5308 CA GLU 1313 37 .247 -9 .118 37 .613 1 .00 26 .25 ATOM 5309 CB GLU 1313 37 .151 -10 .038 36 .397 1 .00 26 .68 ATOM 5310 CG GLU 1313 37 .071 -11 .516 36 .754 1 .00 25 .25 ATOM 5311 CD GLU 1313 38 .287 -12 .043 37 .507 1, .00 22, .33 ATOM 5312 OEI GLU 1313 39 .408 -11 .876 37 .032 1, .00 26 .23 ATOM 5313 OE2 GLU 1313 38 .107 -12, .629 38. .571 1. .00 22, .65 ATOM 5314 C GLU 1313 37. .498 -7, .693 37, .150 1. .00 24. .87 ATOM 5315 O GLU 1313 36. .574 -6. .939 36. .825 1. .00 24. .77 ATOM 5316 N GLU 1314 38, .752 -7, .294 37. .114 1. .00 27. .62 ATOM 5317 H GLU 1314 39. .462 -7. .941 37. .273 1. .00 0. .00 ATOM 5318 CA GLU 1314 39. .104 -5. .958 36. .726 1. ,00 30. .26 ATOM 5319 CB GLU 1314 39. .571 -5. .105 37. .919 1. ,00 37. .89 ATOM 5320 CG GLU 1314 38. .557 -4. .762 39. .039 1. ,00 50. .13 ATOM 5321 CD GLU 1314 37. .237 -4. .057 38. .679 1. 00 55. .69 ATOM 5322 OEI GLU 1314 37. ,178 -3. .262 37. 735 1. 00 57. ,25 ATOM 5323 OE2 GLU 1314 36. .249 -4. .304 39. .374 1. 00 56. ,57 ATOM 5324 C GLU 1314 40. ,240 -6. .072 35. .744 1. 00 28. ,05 ATOM 5325 O GLU 1314 41. 141 -6. 909 35. 842 1. 00 26. 42 ATOM 5326 N PTY 1315 40. ,132 -5. 180 34. 778 1. 00 28. ,11 ATOM 5327 H PTY 1315 39. 447 -4. 489 34. 849 1. 00 0. 00 ATOM 5328 CA PTY 1315 41. 118 -5. 027 33. 732 1. 00 26. 87 ATOM 5329 CB PTY 1315 40. 404 -4. 824 32. 419 1. 00 20. 01 ATOM 5330 CG PTY 1315 40. 128 -6. 149 31. 786 1. 00 11. 21 ATOM 5331 CDl PTY 1315 41. 120 -6. 812 31. 054 1. 00 7. 33 ATOM 5332 CEI PTY 1315 40. 892 -8. 077 30. 509 1. 00 12. 31 ATOM 5333 CD2 PTY 1315 38. 889 -6. 802 31. 949 1. 00 9. 76 ATOM 5334 CE2 PTY 1315 38. 650 -8. 070 31. 403 1. 00 6. 98 ATOM 5335 CZ PTY 1315 39. 647 -8. 728 30. 680 1. 00 12. 20 ATOM 5336 OH PTY 1315 39. 377 -9. 962 30. 126 1. 00 11. 60 - 365 ATOM 5337 ORI PTY 1315 39:480 -11.598 32.039 1.00 23.46 ATOM 5338 OR2 PTY 1315 41 .612 -10 .940 31 .097 1 .00 22 .23 ATOM 5339 OR3 PTY 1315 40 .109 -12 .344 29 .936 1 .00 21 .17 ATOM 5340 PR PTY 1315 40 .190 -11 .164 30 .804 1 .00 16 .43 ATOM 5341 C PTY 1315 41 .937 -3 .825 34 .101 1 .00 28 .24 ATOM 5342 O PTY 1315 41 .713 -3 .239 35 .167 1 .00 34 .41 ATOM 5343 N ASP 1316 42 .895 -3 .433 33 .300 1 .00 30 .96 ATOM 5344 H ASP 1316 42 .989 -3 .813 32 .405 1, .00 0, .00 ATOM 5345 CA ASP 1316 43 .655 -2 .257 33 .639 1, .00 37, .10 ATOM 5346 CB ASP 1316 45. .127 -2, .491 33, .430 1. .00 41. .47 ATOM 5347 CG ASP 1316 45. .767 -3, .314 34, .519 1. .00 45. .09 ATOM 5348 ODI ASP 1316 46. .533 -2, .742 35, .291 1. .00 51. .31 ATOM 5349 OD2 ASP 1316 45, .509 -4, .514 34, .583 1. .00 47. .70 ATOM 5350 C ASP 1316 43. .193 -1. .143 32, .733 1. .00 39. .53 ATOM 5351 O ASP 1316 42. .724 -1, .390 31, .615 1. .00 45. .74 ATOM 5352 N VAL 1317 43. .280 0. .085 33. .229 1. .00 41. .83 ATOM 5353 H VAL 1317 43. .722 0. .236 34. .088 1. .00 0. .00 ATOM 5354 CA VAL 1317 42. .948 1. .243 32. .418 1. .00 44. .85 ATOM 5355 CB VAL 1317 41. .791 2. .049 33. .116 1. ,00 43. .64 ATOM 5356 CGI VAL 1317 42. .225 2. .723 34. .411 1. ,00 46. ,74 ATOM 5357 CG2 VAL 1317 41. .280 3. .069 32. .112 1. ,00 46. .56 ATOM 5358 C VAL 1317 44. .269 2. .008 32. .319 1. ,00 45. ,31 ATOM 5359 O VAL 1317 45. .215 1. .761 33. .089 1. ,00 41. .69 ATOM 5360 N LEU 1318 44. .340 2. .869 31. .308 1. ,00 45. .11 ATOM 5361 H LEU 1318 43. .558 2. .982 30. .733 1. ,00 0. .00 ATOM 5362 CA LEU 1318 45. .520 3. .675 31. .063 1. ,00 47. .99 ATOM 5363 CB LEU 1318 45. .299 4. .414 29. .757 1. ,00 42. .85 ATOM 5364 CG LEU 1318 44. .989 3, .532 28. .554 1. .00 38. .00 ATOM 5365 CDl LEU 1318 44. .192 4. .345 27. .606 1. ,00 32. .68 ATOM 5366 CD2 LEU 1318 46. .238 3. .003 27. .888 1. ,00 34. .68 ATOM 5367 C LEU 1318 45. .793 4. .633 32. .222 1. ,00 53. .72 ATOM 5368 O LEU 1318 44. .861 5. .114 32. .887 1. .00 53. .92 ATOM 5369 N ASP 1319 47. .101 4. .744 32. .471 1. .00 60. .15 ATOM 5370 H ASP 1319 47. .696 4. .244 31, .885 1. .00 0. .00 ATOM 5371 CA ASP 1319 47. .709 5, .555 33, .519 1. .00 67. .37 ATOM 5372 CB ASP 1319 49. .218 5, .246 33, .704 1. .00 71, .97 ATOM 5373 CG ASP 1319 49, .622 3, .840 34, .143 1. .00 75, .12 ATOM 5374 ODI ASP 1319 50. .483 3. .737 35, .019 1. .00 75. .09 ATOM 5375 OD2 ASP 1319 49. .104 2, .855 33. .607 1. .00 75. .64 366 ATOM 5376 C ASP 1319 47.599 7.036 33.206 1.00 69.96 ATOM 5377 O ASP 1319 48.000 7 .450 32 .113 1 .00 72 .41 ATOM 5378 OT ASP 1319 47.117 7 .758 34 .075 1 .00 72 .49 ATOM 5379 OH2 H20 2091 11.613 6 .292 3 .790 1 .00 9 .15 ATOM 5380 HI H20 2091 11.021 6 .247 3 .030 1 .00 0 .00 ATOM 5381 H2 H20 2091 12.286 6 .908 3 .506 1 .00 0 .00 ATOM 5382 OH2 H20 2289 -0.606 1 .712 22 .323 1 .00 38 .94 ATOM 5383 HI H20 2289 -0.216 1 .680 23 .198 1 .00 0 .00 ATOM 5384 H2 H20 2289 -1.566 1 .715 22 .535 1 .00 0 .00 ATOM 5385 OH2 H20 2003 -4.862 -2 .850 17 .008 1 .00 55 .78 ATOM 5386 HI H20 2003 -5.578 ■ 2. .602 16 .416 1, .00 0 .00 ATOM 5387 H2 H20 2003 -5.228 -3 .616 17 .461 1, .00 0 .00 ATOM 5388 OH2 H20 2035 0.414 8, .828 19 .112 1, .00 32, .59 ATOM 5389 HI H20 2035 0.960 8, .879 19 .902 1, .00 0, .00 ATOM 5390 H2 H20 2035 -0.430 9, .187 19, .400 1. .00 0, .00 ATOM 5391 OH2 H20 2230 -3.731 1, .596 4, .235 1. .00 7, .64 ATOM 5392 HI H20 2230 -3.892 1. .670 3. .275 1. .00 0. .00 ATOM 5393 H2 H20 2230 -2.780 ' 1. .688 4. .279 1. .00 0. .00 ATOM 5394 OH2 H20 2226 4.474 ■1. .056 -2. .417 1. .00 39. .20 ATOM 5395 HI H20 2226 3.910 •1. .250 -1. .642 1. ,00 0. .00 ATOM 5396 H2 H20 2226 4.883 •1. .923 -2. .534 1. ,00 0. .00 ATOM 5397 OH2 H20 2235 5.036 1. .440 -3. .371 1. ,00 34. .16 ATOM 5398 HI H20 2235 4.530 1. .009 -4. .064 1. ,00 0. .00 ATOM 5399 H2 H20 2235 5.003 0. .712 -2. .714 1. ,00 0. .00 ATOM 5400 OH2 H20 2367 6.779 5. .277 -2. .088 1. 00 14. .63 ATOM 5401 HI H20 2367 6.838 4. .525 -2. .722 1. 00 0. .00 ATOM 5402 H2 H20 2367 7.586 5. .141 -1. ,574 1. 00 0. .00 ATOM 5403 OH2 H20 2277 0.582 2. ,614 -1. ,861 1. 00 15. .62 ATOM 5404 HI H20 2277 0.905 1. ,731 -1. ,641 1. 00 0. ,00 ATOM 5405 H2 H20 2277 -0.256 2. ,437 -2. ,298 1. 00 0. ,00 ATOM 5406 OH2 H20 2217 2.900 •2. ,745 -0. 055 1. 00 18. ,30 ATOM 5407 HI H20 2217 3.827 ■ 2. 865 0. 230 1. 00 0. ,00 ATOM 5408 H2 H20 2217 2.421 ■3. 213 0. 635 1. 00 0. ,00 ATOM 5409 OH2 H20 2021 5.582 3. 229 0. 413 1. 00 12. ,00 ATOM 5410 HI H20 2021 6.399 ■3. 389 0. 934 1. 00 0. 00 ATOM 5411 H2 H20 2021 6.035 ■2. 957 -0. 416 1. 00 0. 00 ATOM 5412 OH2 H20 2265 7.276 2. 450 -1. 549 1. 00 19. 34 ATOM 5413 HI H20 2265 7.061 1. 547 -1. 814 1. 00 0. 00 ATOM 5414 H2 H20 2265 8.249 2. 355 -1. 576 1. 00 0. 00 - 367 ATOM 5415 0H2 H20 2050 9..531 -1.039 -1.954 1, .00 15.27 ATOM 5416 HI H20 2050 9 .759 -0, .600 -2 .781 1, .00 0. .00 ATOM 5417 H2 H20 2050 10, .415 -1 .132 -1 .532 1, .00 0, .00 ATOM 5418 OH2 H20 2188 7 .944 -3, .913 1 .547 1, .00 6, .13 ATOM 5419 HI H20 2188 8. .919 -3. .847 1, .542 1. .00 0, .00 ATOM 5420 H2 H20 2188 7, .784 -4. .090 2, .502 1. .00 0, .00 ATOM 5421 OH2 H20 2106 11. .995 -1. .225 -0, .912 1. .00 10, .49 ATOM 5422 HI H20 2106 12, .822 -1. .128 -1. .408 1. .00 0. .00 ATOM 5423 H2 H20 2106 1 122,. .229922 --11.. .001144 -0, .019 1. .00 0. .00 ATOM 5424 OH2 H20 2263 1100.. .555566 --33.. ,110033 2. .014 1. 00 16. ,72 ATOM 5425 HI H20 2263 9 .920 -2 .379 2. .027 1 .00 0. .00 ATOM 5426 H2 H20 2263 11 .186 -2 .784 1 .353 1 .00 0 .00 ATOM 5427 OH2 H20 2369 7 .366 -4 .615 4 .091 1 .00 8 .30 ATOM 5428 HI H20 2369 6 .788 -3 .949 4 .488 1 .00 0. .00 ATOM 5429 H2 H20 2369 8 .158 -4 .482 4. .669 1. .00 0. .00 ATOM 5430 OH2 H20 2336 2, .623 -5, .870 6, .276 1. .00 8, .51 ATOM 5431 HI H20 2336 3, .445 -5, .538 5, .917 1. .00 0. .00 ATOM 5432 H2 H20 2336 2, .231 -5, .086 6, .672 1. .00 0. .00 ATOM 5433 OH2 H20 2005 6, .010 3, .922 2, .813 1. .00 5, .77 ATOM 5434 HI H20 2005 5, .210 3, .992 2, .283 1. .00 0, .00 ATOM 5435 H2 H20 2005 5. .836 3. .150 3. .362 1. .00 0. .00 ATOM 5436 OH2 H20 2013 8. .688 3. .977 2. .421 1. .00 4. .93 ATOM 5437 HI H20 2013 7, .716 3, .844 2. .522 1. .00 0, .00 ATOM 5438 H2 H20 2013 8, .704 4, .934 2. .501 1. .00 0. .00 ATOM 5439 OH2 H20 2210 1. .947 22 .873 18, .487 1, .00 21, .45 ATOM 5440 HI H20 2210 1. .077 23 .018 18 .107 1, .00 0, .00 ATOM 5441 H2 H20 2210 1. .901 21, .999 18, .875 1. .00 0, .00 ATOM 5442 OH2 H20 2397 6. .940 3, .302 -4, .007 1, .00 14. .99 ATOM 5443 HI H20 2397 6. .259 2, .617 -3, .809 1, .00 0. .00 ATOM 5444 H2 H20 2397 7, .709 2, .739 -4, .215 1. .00 0, .00 ATOM 5445 OH2 H20 2211 5, .320 7 .091 -4, .231 1, .00 5, .91 ATOM 5446 HI H20 2211 5. .164 6, .691 -5, .096 1. .00 0, .00 ATOM 5447 H2 H20 2211 5. .887 6, .432 -3, .794 1, .00 0. .00 ATOM 5448 OH2 H20 2088 6, .170 9 .583 -5, .206 1. .00 3, .99 ATOM 5449 HI H20 2088 5, .979 9 .263 -6, .114 1, .00 0, .00 ATOM 5450 H2 H20 2088 6, .024 8 .768 -4 .695 1, .00 0, .00 ATOM 5451 OH2 H20 2127 4, .543 11 .747 -5, .012 1, .00 17 .56 ATOM 5452 HI H20 2127 4, .355 11, .872 -5, .943 1. .00 0, .00 ATOM 5453 H2 H20 2127 5, .174 10 .996 -5, .030 1, .00 0, .00 368 - ATOM 5454 0H2 H20 2393 4.660 15.853 -4.263 1.00 17.70 ATOM 5455 HI H20 2393 4 .191 16 .391 -3 .624 1 .00 0 .00 ATOM 5456 H2 H20 2393 3 .945 15 .378 -4 .706 1 .00 0 .00 ATOM 5457 OH2 H20 2363 1 .201 14 .180 -4 .789 1 .00 14 .09 ATOM 5458 HI H20 2363 0 .982 14, .252 ■ 3 .860 1 .00 0 .00 ATOM 5459 H2 H20 2363 0 .630 13, .434 -5 .056 1 .00 0 .00 ATOM 5460 OH2 H20 2252 7, .730 13, .503 -4 .221 1 .00 26 .93 ATOM 5461 HI H20 2252 7, .376 12, .604 -4 .201 1 .00 0 .00 ATOM 5462 H2 H20 2252 6. .918 14. .021 •4 .319 1 .00 0 .00 ATOM 5463 OH2 H20 2337 0. .119 11. .846 ■ 4 .785 1 .00 11 .20 ATOM 5464 HI H20 2337 0. .770 11. .321 ■ 4 .302 1 .00 0 .00 ATOM 5465 H2 H20 2337 0. .699 11. .419 • 4 .499 1 .00 0 .00 ATOM 5466 OH2 H20 2447 0. .079 10. .337 •7 .542 1 .00 40, .91 ATOM 5467 HI H20 2447 0. .141 11. .081 ■ 6 .922 1 .00 0 .00 ATOM 5468 H2 H20 2447 0. .776 9. .752 ■7 .213 1, .00 0, .00 ATOM 5469 OH2 H20 2131 -2 .231 7 .960 •6, .047 1, .00 23, .04 ATOM 5470 HI H20 2131 -2, .931 7 .867 ■ 5, .394 1, .00 0, .00 ATOM 5471 H2 H20 2131 -2, .407 7, .253 •6, .673 1. .00 0. .00 ATOM 5472 OH2 H20 2012 -7, .124 7, .460 • 2. .263 1. .00 20. .39 ATOM 5473 HI H20 2012 -7, .847 8, .045 ■ 1. .992 1. .00 0. .00 ATOM 5474 H2 H20 2012 -6. .813 7, .923 ■ 3. .054 1. .00 0. .00 ATOM 5475 OH2 H20 2323 -7. .338 5. .501 ■ 0. .353 1. .00 64. .57 ATOM 5476 HI H20 2323 -7. .697 4. .705 ■ 0. .764 1. .00 0. .00 ATOM 5477 H2 H20 2323 -7. .245 6. .096 ■ 1. .135 1. .00 0. .00 ATOM 5478 OH2 H20 2037 -7 .188 10 .431 4. .834 1. ,00 18. .12 ATOM 5479 HI H20 2037 -7 .947 11 .011 4. .942 1. ,00 0. .00 ATOM 5480 H2 H20 2037 -6 .730 10, .509 5. .672 1. ,00 0. .00 ATOM 5481 OH2 H20 2428 10, .421 9 .838 2. .454 1. ,00 48. .35 ATOM 5482 HI H20 2428 -9 .470 9, .846 2. .679 1. ,00 0. ,00 ATOM 5483 H2 H20 2428 10. .709 10, .567 3. .029 1. ,00 0. ,00 ATOM 5484 OH2 H20 2017 -8. .108 10, .668 3. .645 1. 00 7. ,28 ATOM 5485 HI H20 2017 -8. .845 11, .291 3. .785 1. ,00 0. ,00 ATOM 5486 H2 H20 2017 -7. .664 10. .692 4. ,498 1. 00 0. ,00 ATOM 5487 OH2 H20 2219 10. .483 12. .122 3. ,962 1. 00 33. ,10 ATOM 5488 HI H20 2219 11. .182 12. .413 3. ,328 1. 00 0. 00 ATOM 5489 H2 H20 2219 10. .338 12. .947 4. ,438 1. 00 0. ,00 ATOM 5490 OH2 H20 2262 12. .360 13. .300 2. ,252 1. 00 20. 55 ATOM 5491 HI H20 2262 11. .954 14. .149 2. ,024 1. 00 0. ,00 ATOM 5492 H2 H20 2262 13. .288 13, .532 2. ,382 1. 00 0. ,00 369 ATOM 5493 OH2 H20 2381 - ■ 1111..552222 88..228855 0.417 1.00 28.89 ATOM 5494 HI H20 2381 - •1111 . .006655 8 8 . .779911 1.123 1 .00 0 .00 ATOM 5495 H2 H20 2381 - -1122 . .339922 8 8 . .668822 0.427 1 .00 0 .00 ATOM 5496 OH2 H20 2245 - -99 . .225566 2 200 . .776622 7.011 1 .00 26 .26 ATOM 5497 HI H20 2245 - ■ 1100, . .118800 2 211, . .003322 6.982 1 .00 0 .00 ATOM 5498 H2 H20 2245 - -99, . .331100 1 199, . .880000 6.966 1 .00 0 .00 ATOM 5499 OH2 H20 2339 - -66, . .000000 1 188, . .886655 9.435 1 .00 27 .95 ATOM 5500 HI H20 2339 - -66. . .007722 1 177, . .992277 9.222 1 .00 0 .00 ATOM 5501 H2 H20 2339 - -66. . .888877 1 199. . .118866 9.244 1 .00 0 .00 ATOM 5502 OH2 H20 2224 - -99. . .117788 2 211. . .995500 4.490 1 .00 14, .21 ATOM 5503 HI H20 2224 - -88. . .229977 2 222. . .112211 4.123 1 .00 0, .00 ATOM 5504 H2 H20 2224 - -88. . .994455 2 211. . .770000 5.404 1, .00 0, .00 ATOM 5505 OH2 H20 2157 11 .171 -10 .628 -3.794 1, .00 7, .88 ATOM 5506 HI H20 2157 10 .586 -9 .878 -4.046 1, .00 0. .00 ATOM 5507 H2 H20 2157 10 .577 -11 .117 -3.221 1, .00 0. .00 ATOM 5508 OH2 H20 2248 -6 .862 19 .924 0.800 1, .00 20. .11 ATOM 5509 HI H20 2248 -7 .017 19 .074 0.361 1, .00 0. .00 ATOM 5510 H2 H20 2248 -6 .417 20 .445 0.127 1, .00 0. .00 ATOM 5511 OH2 H20 2283 -4. .214 19, .691 11.429 1. .00 12. .06 ATOM 5512 HI H20 2283 -4. .833 19. .464 10.706 1. .00 0. .00 ATOM 5513 H2 H20 2283 -3. .531 20. .196 10.967 1. .00 0. .00 ATOM 5514 OH2 H20 2255 -3. .770 23. .422 11.688 1. .00 11. .13 ATOM 5515 HI H20 2255 -3. .036 22. .810 11.546 1. .00 0. .00 ATOM 5516 H2 H20 2255 -4. .446 22. .840 12.045 1. .00 0. .00 ATOM 5517 OH2 H20 2237 -1. .087 23. .450 4.984 1. .00 5. ,75 ATOM 5518 HI H20 2237 - -11.. .223366 2222.. .449955 5.008 1. .00 0. .00 ATOM 5519 H2 H20 2237 - -11.. .999955 2233.. .771155 4.776 1. .00 0. .00 ATOM 5520 OH2 H20 2236 - -22.. ,220000 77.. .660033 3.264 1. ,00 94. ,00 ATOM 5521 HI H20 2236 - -11.. .224488 77.. .773377 3.328 1. ,00 0. ,00 ATOM 5522 H2 H20 2236 - -22.. .447788 77.. .880066 4.166 1. ,00 0. ,00 ATOM 5523 OH2 H20 2032 9 9.. .663377 --44.. .333355 5.775 1. ,00 22. ,19 ATOM 5524 HI H20 2032 9 9.. .882277 --44.. .331155 6.735 1. ,00 0. ,00 ATOM 5525 H2 H20 2032 1 100.. .550033 --44.. .112299 5.414 1. ,00 0. .00 ATOM 5526 OH2 H20 2384 8. .433 -8. .052 11.060 1. .00 48. .89 ATOM 5527 HI H20 2384 8. .776 -8. .614 10.352 1. .00 0. .00 ATOM 5528 H2 H20 2384 7. .535 -8. .400 11.097 1. .00 0. .00 ATOM 5529 OH2 H20 2008 10. .386 -0. .880 7.792 1. .00 3. .56 ATOM 5530 HI H20 2008 10. .921 -1. .130 7.031 1. .00 0. ,00 ATOM 5531 H2 H20 2008 9. .704 -0. .366 7.345 1. ,00 0. .00 - 370 ATOM 5532 OH2 H20 2019 1100..221166 --33..665533 8.487 1.00 19.93 ATOM 5533 HI H20 2019 9 9 . .339977 - -33 . .775588 9.015 1.00 0.00 ATOM 5534 H2 H20 2019 1 100 . .115500 - -22 . .771133 8.232 1.00 0.00 ATOM 5535 OH2 H20 2048 1 133, . .117755 4 4, . .992244 8.006 1.00 15.14 ATOM 5536 HI H20 2048 1 122, . .339911 5 5, . .223333 7.536 1.00 0.00 ATOM 5537 H2 H20 2048 1 122, . .885500 4 4. . .883322 8.910 1.00 0.00 ATOM 5538 OH2 H20 2028 1 144. . .661133 - -66. . .664477 11.993 1.00 18.49 ATOM 5539 HI H20 2028 1 133. . .992288 - -66. . .881199 11.337 1.00 0.00 ATOM 5540 H2 H20 2028 14 .201 -5 .975 12.541 1.00 0.00 ATOM 5541 OH2 H20 2051 14 .444 1 .482 10.802 1.00 2.00 ATOM 5542 HI H20 2051 1 144. .448899 0 .558 11.082 1.00 0.00 ATOM 5543 H2 H20 2051 1 155. .332299 1 .607 10.393 1.00 0.00 ATOM 5544 OH2 H20 2390 7 .071 26 .689 10.142 1.00 64.54 ATOM 5545 HI H20 2390 7 .620 27 .385 10.523 1.00 0.00 ATOM 5546 H2 H20 2390 7 .141 26 .008 10.831 1.00 0.00 ATOM 5547 OH2 H20 2416 7 .110 24 .301 5.255 1.00 25.90 ATOM 5548 HI H20 2416 7 .917 24 .786 5.458 1.00 0.00 ATOM 5549 H2 H20 2416 6 .872 24, .654 4.389 1.00 0.00 ATOM 5550 OH2 H20 2278 2. .347 20, .840 -2.242 1.00 25.42 ATOM 5551 HI H20 2278 1, .432 20. .561 -2.127 1.00 0.00 ATOM 5552 H2 H20 2278 2. .313 21. .668 -1.736 1.00 0.00 ATOM 5553 OH2 H20 2241 4. .928 19. .565 -1.717 1.00 13.89 ATOM 5554 HI H20 2241 4. .055 19. .952 -1.941 1.00 0.00 ATOM 5555 H2 H20 2241 5. .389 19. .661 -2.552 1.00 0.00 ATOM 5556 OH2 H20 2330 5. .495 19. .739 11.331 1.00 89.21 ATOM 5557 HI H20 2330 5. .618 19. .333 12.203 1.00 0.00 ATOM 5558 H2 H20 2330 4. .537 19. ,756 11.269 1.00 0.00 ATOM 5559 OH2 H20 2319 9. .830 15. .311 2.100 1.00 15.29 ATOM 5560 HI H20 2319 1 100...444411 1144..,883355 1.515 1.00 0.00 ATOM 5561 H2 H20 2319 9 9...229944 1155..,777733 1.419 1.00 0.00 ATOM 5562 OH2 H20 2129 8 8..,220011 1166..334499 0.185 1.00 20.32 ATOM 5563 HI H20 2129 7 7..773388 1177..110088 0.561 1.00 0.00 ATOM 5564 H2 H20 2129 8 8..331166 1166..559977 -0.737 1.00 0.00 ATOM 5565 OH2 H20 2405 10. 491 14. 246 -3.600 1.00 13.44 ATOM 5566 HI H20 2405 10. 534 14. 843 -4.349 1.00 0.00 ATOM 5567 H2 H20 2405 9. 584 13. 891 -3.697 1.00 0.00 ATOM 5568 OH2 H20 2002 15. 026 10. 845 9.558 1.00 3.64 ATOM 5569 HI H20 2002 15. 184 11. 736 9.185 1.00 0.00 ATOM 5570 H2 H20 2002 15. 740 10. 321 9.146 1.00 0.00 - 371 - ATOM 5571 OH2 H20 2104 1155..447711 1133..331155 8.633 1.00 17.22 ATOM 5572 HI H20 2104 1 144,, . .880077 1 133, . .883355 8.155 1.00 0.00 ATOM 5573 H2 H20 2104 1 155,, . .775599 1 133, . .992288 9.338 1.00 0.00 ATOM 5574 OH2 H20 2437 1 177,, . .001111 9 9, . .229955 8.530 1.00 20.44 ATOM 5575 HI H20 2437 1 166,, . .666699 8 8, . .442211 8.295 1.00 0.00 ATOM 5576 H2 H20 2437 1 177,, . .991199 9 9, . .223300 8.217 1.00 0.00 ATOM 5577 OH2 H20 2128 1 177,, . .112244 1 100., . .110033 3.658 1.00 38.97 ATOM 5578 HI H20 2128 1 166.. . .995544 1 100.. . .667755 4.434 1.00 0.00 ATOM 5579 H2 H20 2128 1 177.. . .228811 1 100.. . .777733 2.990 1.00 0.00 ATOM 5580 OH2 H20 2083 1 188.. . .771166 6 6., . .778866 5.655 1.00 38.25 ATOM 5581 HI H20 2083 1 188.. .009944 6 6., .006622 5.812 1.00 0.00 ATOM 5582 H2 H20 2083 1188.. .444499 7 7.. .112200 4.794 1.00 0.00 ATOM 5583 OH2 H20 2167 1188.. .441122 8 8.. .223377 1.848 1.00 17.94 ATOM 5584 HI H20 2167 1177.. .994422 8 8.. .775544 2.529 1.00 0.00 ATOM 5585 H2 H20 2167 1199.. .220022 8 8.. .778899 1.688 1.00 0.00 ATOM 5586 OH2 H20 2026 1155.. .887799 5 5.. .667733 7.246 1.00 48.02 ATOM 5587 HI H20 2026 1144.. .994411 5 5.. .443377 7.369 1.00 0.00 ATOM 5588 H2 H20 2026 1166.. .117755 5 5.. .004477 6.554 1.00 0.00 ATOM 5589 OH2 H20 2049 1177.. .331144 7. .977 13.797 1.00 16.58 ATOM 5590 HI H20 2049 1166.. .440000 8. .007 13.482 1.00 0.00 ATOM 5591 H2 H20 2049 1177.. .337755 7. .066 14.141 1.00 0.00 ATOM 5592 OH2 H20 2228 20. .491 10. .527 13.557 1.00 79.19 ATOM 5593 HI H20 2228 21. .024 9. .803 13.223 1.00 0.00 ATOM 5594 H2 H20 2228 19. .983 10. .083 14.274 1.00 0.00 ATOM 5595 OH2 H20 2247 1 188.. .884488 9, .457 15.383 1.00 28.02 ATOM 5596 HI H20 2247 1 188.. .228877 8. .895 14.791 1.00 0.00 ATOM 5597 H2 H20 2247 1 188.. .220066 9. .713 16.054 1.00 0.00 ATOM 5598 OH2 H20 2189 7 7.. .117777 0. .098 20.558 1.00 12.38 ATOM 5599 HI H20 2189 7 7.. .666655 -0. .699 20.329 1.00 0.00 ATOM 5600 H2 H20 2189 7 7.. .885555 0, .612 21.009 1.00 0.00 ATOM 5601 OH2 H20 2153 10. .987 -2. .027 19.374 1.00 30.53 ATOM 5602 HI H20 2153 11. .365 -1. .186 19.661 1.00 0.00 ATOM 5603 H2 H20 2153 1 100.. .553344 -1, .780 18.559 1.00 0.00 ATOM 5604 OH2 H20 2387 1155.. .557733 -5, .220 22.034 1.00 26.88 ATOM 5605 HI H20 2387 15. .420 -4, .414 22.537 1.00 0.00 ATOM 5606 H2 H20 2387 15. .880 -4. .902 21.183 1.00 0.00 ATOM 5607 OH2 H20 2081 11, .585 0 .443 22.679 1.00 18.85 ATOM 5608 HI H20 2081 10 .705 0 .405 22.293 1.00 0.00 ATOM 5609 H2 H20 2081 12 .133 0 .412 21.891 1.00 0.00 372 ATOM 5610 OH2 H20 2065 12.324 11.499 16.673 1.00 6.58 ATOM 5611 HI H20 2065 12 .905 11 .565 17 .437 1 .00 0 .00 ATOM 5612 H2 H20 2065 12 .163 12 .420 16 .446 1 .00 0 .00 ATOM 5613 OH2 H20 2307 13 .497 15 .746 18 .110 1 .00 21 .94 ATOM 5614 HI H20 2307 13 .198 16 .526 17 .607 1 .00 0 .00 ATOM 5615 H2 H20 2307 14 .125 16 .164 18 .711 1 .00 0 .00 ATOM 5616 OH2 H20 2174 16 .345 14 .884 10 .755 1 .00 12 .56 ATOM 5617 HI H20 2174 15 .955 14 .561 11 .582 1 .00 0 .00 ATOM 5618 H2 H20 2174 17 .276 14 .775 10 .999 1 .00 0 .00 ATOM 5619 OH2 H20 2080 16 .899 10 .708 22 .439 1 .00 18 .59 ATOM 5620 HI H20 2080 16 .192 10 .707 23, .107 1 .00 0 .00 ATOM 5621 H2 H20 2080 17 .504 10, .070 22, .839 1. .00 0 .00 ATOM 5622 OH2 H20 2145 8 .985 6, .741 24, .686 1. .00 10, .42 ATOM 5623 HI H20 2145 8 .457 7, .507 24, .413 1. .00 0, .00 ATOM 5624 H2 H20 2145 8 .932 6, .789 25, .642 1, .00 0, .00 ATOM 5625 OH2 H20 2234 -1, .344 12. .735 21. .035 1. .00 32. .56 ATOM 5626 HI H20 2234 -1 .446 12, .294 20, .176 1. .00 0. .00 ATOM 5627 H2 H20 2234 -1. .080 13. .620 20. .775 1, .00 0, .00 ATOM 5628 OH2 H20 2389 -1, .529 11. .859 18. .208 1. .00 25. .81 ATOM 5629 HI H20 2389 -1, .103 11. .457 17. .445 1. .00 0. .00 ATOM 5630 H2 H20 2389 -1. .683 12. .782 17. .891 1. .00 0. .00 ATOM 5631 OH2 H20 2442 -4. .227 11. .513 17. .909 1. .00 40. .21 ATOM 5632 HI H20 2442 -4. .311 12. .468 17. .887 1. .00 0. .00 ATOM 5633 H2 H20 2442 -3. .299 11. .412 18. .188 1. .00 0. .00 ATOM 5634 OH2 H20 2294 -1. .737 4. .678 21. .101 1. .00 50. .85 ATOM 5635 HI H20 2294 -1. .393 5. .578 21. .112 1. ,00 0. .00 ATOM 5636 H2 H20 2294 -2. .553 4. .753 21. .611 1. ,00 0. .00 ATOM 5637 OH2 H20 2435 3. .968 2. ,794 20. ,047 1. ,00 20. .89 ATOM 5638 HI H20 2435 4. .484 1. ,976 19. ,985 1. ,00 0. .00 ATOM 5639 H2 H20 2435 3. ,362 2. ,571 20. ,765 1. ,00 0. .00 ATOM 5640 OH2 H20 2195 -2. .103 14. ,513 17. ,363 1. ,00 45. .39 ATOM 5641 HI H20 2195 -1. .333 15. ,013 17. .684 1. ,00 0. .00 ATOM 5642 H2 H20 2195 -2. .463 15. ,110 16. .687 1. ,00 0. .00 ATOM 5643 OH2 H20 2292 4. ,660 24. ,323 21. .790 1. ,00 31. .24 ATOM 5644 HI H20 2292 3. ,750 24. ,146 21. .548 1. 00 0. .00 ATOM 5645 H2 H20 2292 4. ,768 23. ,824 22. .603 1. 00 0. ,00 ATOM 5646 OH2 H20 2445 7. ,938 18. 020 26. 568 1. 00 33. ,41 ATOM 5647 HI H20 2445 8. 797 18. 087 27. 007 1. 00 0. ,00 ATOM 5648 H2 H20 2445 7. 479 17. 386 27. 129 1. 00 0. ,00 373 ATOM 5649 OH2 H20 2400 10.560 23.286 20.157 1.00 25.80 ATOM 5650 HI H20 2400 10, .053 24. .081 19, .966 1, .00 0. .00 ATOM 5651 H2 H20 2400 11. .446 23, .627 20, .311 1, .00 0. .00 ATOM 5652 OH2 H20 2427 10. .358 23, .548 15, .422 1, .00 19, .65 ATOM 5653 HI H20 2427 9. .950 23, .212 14 .607 1, .00 0, .00 ATOM 5654 H2 H20 2427 10. .834 24. .319 15, .099 1. .00 0. .00 ATOM 5655 OH2 H20 2275 11. .995 7. .700 8, .856 1. .00 56. .20 ATOM 5656 HI H20 2275 -1 111.. . .229999 7 7.. . .007700 9, .091 1. .00 0. .00 ATOM 5657 H2 H20 2275 -1 111,. . .449955 8 8.. . .339999 8, .430 1. .00 0. .00 ATOM 5658 OH2 H20 2253 -1 100.. . .222288 1 1.. . .887700 9. .007 1. .00 15. .68 ATOM 5659 HI H20 2253 - -99.. . .339988 1 1.. . .556622 8. .616 1. .00 0. .00 ATOM 5660 H2 H20 2253 -1 100.. . .331133 2 2.. . .772244 8. .562 1. .00 0. .00 ATOM 5661 OH2 H20 2076 7 7.. . .225544 - -1100,. . .224400 9, .154 1. .00 13. .69 ATOM 5662 HI H20 2076 7 7.. . .444400 - -1111.. . .007755 9. .629 1. .00 0. .00 ATOM 5663 H2 H20 2076 6 6,. . .994477 - -1100.. . .555577 8. .294 1. .00 0. .00 ATOM 5664 OH2 H20 2191 1 144.. . .669966 - -1188,. . .990099 5. .506 1. .00 21. .42 ATOM 5665 HI H20 2191 1 133.. . .993322 - -1188,. . .990066 6, .088 1. .00 0. .00 ATOM 5666 H2 H20 2191 1 144.. . .999933 - -1177.. . .999999 5. .512 1. .00 0. .00 ATOM 5667 OH2 H20 2025 13. .620 -17. .448 15. .050 1. .00 16. .30 ATOM 5668 HI H20 2025 13. .150 -16. .664 15. .367 1. .00 0. .00 ATOM 5669 H2 H20 2025 12. .888 -18. .073 15. .081 1. .00 0. .00 ATOM 5670 OH2 H20 2184 19. .050 -19. .408 16. .078 1. .00 37. .17 ATOM 5671 HI H20 2184 18. .624 -19. .737 15. .276 1. .00 0. .00 ATOM 5672 H2 H20 2184 19. .972 -19. .612 15. .906 1. .00 0. .00 ATOM 5673 OH2 H20 2429 11. .300 -29. .483 9, .061 1, .00 46, .58 ATOM 5674 HI H20 2429 12. .135 -29. .548 8, .589 1. .00 0. .00 ATOM 5675 H2 H20 2429 11. .528 -28. .904 9, .800 1, .00 0. .00 ATOM 5676 OH2 H20 2196 4. .962 -12. .445 14, .206 1, .00 55. .45 ATOM 5677 HI H20 2196 4. .086 -12. .167 14, .476 1, .00 0, .00 ATOM 5678 H2 H20 2196 5. .364 -11. .658 13, .839 1. .00 0, .00 ATOM 5679 OH2 H20 2426 7. .900 -12. .611 10, .746 1, .00 23. .66 ATOM 5680 HI H20 2426 8. .783 -12. .871 11, .025 1, .00 0, .00 ATOM 5681 H2 H20 2426 7, .348 -13, .325 11, .080 1 .00 0 .00 ATOM 5682 OH2 H20 2052 10. .898 -6, .045 11, .814 1, .00 25, .42 ATOM 5683 HI H20 2052 10. .206 -6, .592 11 .412 1 .00 0 .00 ATOM 5684 H2 H20 2052 10. .931 -6 .401 12 .704 1 .00 0 .00 ATOM 5685 OH2 H20 2103 15 .818 -19 .257 15 .652 1 .00 72 .28 ATOM 5686 HI H20 2103 15, .184 -18, .542 15 .441 1 .00 0 .00 ATOM 5687 H2 H20 2103 16 .640 -18 .781 15 .841 1 .00 0 .00 374 ATOM 5688 OH2 H20 2388 17.485 -7.351 16.533 1.00 39.92 ATOM 5689 HI H20 2388 17.641 -6.500 16.116 1.00 0.00 ATOM 5690 H2 H20 2388 16.879 -7.780 15.920 1.00 0.00 ATOM 5691 OH2 H20 2350 20.265 -5.720 9.455 1.00 41.89 ATOM 5692 HI H20 2350 20 .758 -6 .394 8 .969 1 .00 0 .00 ATOM 5693 H2 H20 2350 19 .357 -6 .018 9 .356 1 .00 0 .00 ATOM 5694 OH2 H20 2183 17 .171 -14 .901 4 .225 1 .00 28 .26 ATOM 5695 HI H20 2183 16 .436 -14 .447 3 .806 1 .00 0 .00 ATOM 5696 H2 H20 2183 17 .728 -14 .161 4 .506 1 .00 0 .00 ATOM 5697 OH2 H20 2151 24 .700 -8 .316 1 .652 1 .00100 .47 ATOM 5698 HI H20 2151 24 .695 -7 .542 2 .237 1 .00 0 .00 ATOM 5699 H2 H20 2151 25 .603 -8 .257 1 .302 1 .00 0 .00 ATOM 5700 OH2 H20 2138 21 .387 -6 .900 2 .709 1. .00 8 .74 ATOM 5701 HI H20 2138 21, .332 -6 .835 3 .670 1, .00 0, .00 ATOM 5702 H2 H20 2138 22, .351 -6 .980 2 .613 X .00 0. .00 ATOM 5703 OH2 H20 2004 18, .730 -8 .591 1 .591 1, .00 7, .03 ATOM 5704 HI H20 2004 19, .326 -8 .205 2 .261 1, .00 0, .00 ATOM 5705 H2 H20 2004 17, .917 -8, .662 2, .128 1, .00 0. .00 ATOM 5706 OH2 H20 2218 20. .874 -17, .466 2. .643 1. .00 55, .49 ATOM 5707 HI H20 2218 21. .747 -17, .302 3. .056 1. .00 0, .00 ATOM 5708 H2 H20 2218 20. .481 -16. .588 2. .671 1. .00 0. .00 ATOM 5709 OH2 H20 2419 20. .819 -17. .988 7. .921 1. ,00 29. .43 ATOM 5710 HI H20 2419 20. .456 -17. .393 7. .234 1. .00 0. .00 ATOM 5711 H2 H20 2419 21. .769 -17. .913 7. .729 1. .00 0. .00 ATOM 5712 OH2 H20 2031 19. .578 -16. .187 6. ,433 1. 00 34. ,49 ATOM 5713 HI H20 2031 18. .984 -16. .029 5. ,679 1. 00 0. ,00 ATOM 5714 H2 H20 2031 18. ,968 -16. ,183 7. 182 1. 00 0. 00 ATOM 5715 OH2 H20 2238 23. ,558 -17. ,675 7. ,540 1. 00 52. 94 ATOM 5716 HI H20 2238 23. 974 -17. ,229 8. 286 1. 00 0. 00 ATOM 5717 H2 H20 2238 23. 895 -18. ,577 7. 600 1. 00 0. 00 ATOM 5718 OH2 H20 2314 23. 469 -16. ,836 3. ,905 1. 00 40. ,23 ATOM 5719 HI H20 2314 23. 490 -17. ,175 4. 811 1. 00 0. 00 ATOM 5720 H2 H20 2314 24. 143 -16. ,139 3. 965 1. 00 0. 00 ATOM 5721 OH2 H20 2430 24.508 -16.953 -2.476 1.00 39.10 ATOM 5722 HI H20 2430 23.560 -16.935 -2.629 1.00 0.00 ATOM 5723 H2 H20 2430 24.557 -17.528 -1.683 1.00 0.00 ATOM 5724 OH2 H20 2398 31.756 -8.627 -9.918 1.00 31.65 ATOM 5725 HI H20 2398 31.272 -9.319 -10.392 1.00 0.00 ATOM 5726 H2 H20 2398 31.395 -8.751 -9.028 1.00 0.00 375 ATOM 5727 OH2 H20 2357 35.235 -6.559 -13.025 1.00 36.71 ATOM 5728 HI H20 2357 35 .237 -6 .279 -12 .103 1 .00 0 .00 ATOM 5729 H2 H20 2357 35 .388 -5 .723 -13 .483 1 .00 0 .00 ATOM 5730 OH2 H20 2096 28 .378 0 .965 -16 .864 1 .00 30 .28 ATOM 5731 HI H20 2096 28 .314 1 .415 -17 .728 1 .00 0 .00 ATOM 5732 H2 H20 2096 29 .306 1 .134 -16 .635 1 .00 0 .00 ATOM 5733 OH2 H20 2386 22 .098 -15 .122 -27 .193 1 .00 30 .97 ATOM 5734 HI H20 2386 22 .328 -15 .611 -27 .986 1, .00 0 .00 ATOM 5735 H2 H20 2386 22, .946 -14 .810 -26 .865 1, .00 0, .00 ATOM 5736 OH2 H20 2401 19, .525 -16, .915 -19 .140 1. .00 60. .66 ATOM 5737 HI H20 2401 19. .053 -17, .603 -18, .636 1. .00 0. .00 ATOM 5738 H2 H20 2401 20. .414 -17, .217 -18, .897 1. .00 0. .00 ATOM 5739 OH2 H20 2112 13. .236 -6, .440 -18, .191 1. ,00 30. .00 ATOM 5740 HI H20 2112 12. .946 -5. .540 -18, .395 1. ,00 0. .00 ATOM 5741 H2 H20 2112 14. .149 -6. .441 -18. .482 1. ,00 0. .00 ATOM 5742 OH2 H20 2099 16. .728 -3. .157 -24. .065 1. .00 31. .03 ATOM 5743 HI H20 2099 16. .632 -3. .797 -23. .348 1. ,00 0. .00 ATOM 5744 H2 H20 2099 16. .491 -3. .755 -24. .792 1. ,00 0. .00 ATOM 5745 OH2 H20 2368 16. .789 -13. .334 -22. .170 1. ,00 58. .09 ATOM 5746 HI H20 2368 16. .718 -13. .705 -21. .278 1. ,00 0. .00 ATOM 5747 H2 H20 2368 17. .727 -13. .076 -22. .156 1. .00 0. .00 ATOM 5748 OH2 H20 2377 29. .291 -10. .210 -0. .300 1. ,00 50. .66 ATOM 5749 HI H20 2377 29. .956 -10. .411 -0. .974 1. ,00 0. .00 ATOM 5750 H2 H20 2377 29. .866 -9. .834 0. .395 1. .00 0. .00 ATOM 5751 OH2 H20 2424 34. .504 -6. .760 -9. .490 1. .00 27. .48 ATOM 5752 HI H20 2424 34. .199 -5. .886 -9, .757 1. .00 0. .00 ATOM 5753 H2 H20 2424 33. .787 -7. .317 -9, .834 1. .00 0. .00 ATOM 5754 OH2 H20 2023 15. .631 5, .950 -19, .680 1. .00 12. .26 ATOM 5755 HI H20 2023 16. .126 5. .955 -18. .848 1. .00 0. .00 ATOM 5756 H2 H20 2023 15. .137 5. .128 -19. .588 1. .00 0. .00 ATOM 5757 OH2 H20 2155 27. .699 2. .486 -19. .359 1. .00 26, .98 ATOM 5758 HI H20 2155 27. .056 3. .116 -19, .697 1. .00 0, .00 ATOM 5759 H2 H20 2155 27. .833 1, .887 -20, .103 1. .00 0, .00 ATOM 5760 OH2 H20 2040 21. .670 7, .029 -14, .264 1. .00 19, .72 ATOM 5761 HI H20 2040 22. .395 7 .459 -13, .806 1. .00 0 .00 ATOM 5762 H2 H20 2040 20, .930 7 .613 -14, .073 1. .00 0. .00 ATOM 5763 OH2 H20 2034 27, .535 4 .082 -9, .593 1. .00 11 .33 ATOM 5764 HI H20 2034 27. .066 4. .295 -10. .404 1. .00 0. .00 ATOM 5765 H2 H20 2034 27. .618 4, .944 -9, .184 1. .00 0, .00 376 - ATOM 5766 OH2 H20 2146 26.621 3.630 1.891 1.00 30.47 ATOM 5767 HI H20 2146 26 .375 3 .894 1 .000 1 .00 0 .00 ATOM 5768 H2 H20 2146 25 .859 3 .131 2 .201 1 .00 0 .00 ATOM 5769 OH2 H20 2068 20 .920 3 .904 -3 .760 1 .00 7 .73 ATOM 5770 HI H20 2068 20 .187 4 .266 -4 .277 1 .00 0 .00 ATOM 5771 H2 H20 2068 20 .537 3 .848 -2 .870 1 .00 0 .00 ATOM 5772 OH2 H20 2364 27 .480 -2 .239 11 .630 1 .00 42 .03 ATOM 5773 HI H20 2364 28 .335 -2 .674 11 .627 1 .00 0 .00 ATOM 5774 H2 H20 2364 27 .679 -1 .400 11 .186 1 .00 0 .00 ATOM 5775 OH2 H20 2343 24 .938 -3 .397 12 .441 1 .00 63 .93 ATOM 5776 HI H20 2343 25 .826 -3 .111 12 .155 1 .00 0 .00 ATOM 5777 H2 H20 2343 24 .545 -2 .572 12 .718 1, .00 0 .00 ATOM 5778 OH2 H20 2113 20 .780 9 .545 0 .873 1, .00 21, .71 ATOM 5779 HI H20 2113 21 .269 10 .305 0 .549 1, .00 0 .00 ATOM 5780 H2 H20 2113 21 .101 8 .844 0 .281 1, .00 0 .00 ATOM 5781 OH2 H20 2045 19 .024 5, .919 -5. .656 1. .00 15, .08 ATOM 5782 HI H20 2045 18, .298 5, .988 -6, .294 1. .00 0. .00 ATOM 5783 H2 H20 2045 19, .582 6. .638 -5. .959 1. .00 0. .00 ATOM 5784 OH2 H20 2054 21. .114 5. .417 -9. .307 1. .00 22. .18 ATOM 5785 HI H20 2054 20. .193 5. .540 -9. .064 1. .00 0. .00 ATOM 5786 H2 H20 2054 21. .468 4. .912 -8. .570 1. .00 0. .00 ATOM 5787 OH2 H20 2342 13. .713 -6. .970 -4. .121 1. .00 12. .52 ATOM 5788 HI H20 2342 14. .059 -6. .564 -3. .321 1. .00 0. .00 ATOM 5789 H2 H20 2342 13. .327 -7. .788 -3. .792 1. .00 0. .00 ATOM 5790 OH2 H20 2109 13. .864 8. .376 -3. .158 1. .00 12. .93 ATOM 5791 HI H20 2109 14. ,640 8. ,635 -2. .622 1. .00 0. .00 ATOM 5792 H2 H20 2109 13. .501 7. .644 -2. .646 1. .00 0. .00 ATOM 5793 OH2 H20 2098 11. .925 3. .812 -15. .931 1. ,00 18. .96 ATOM 5794 HI H20 2098 11. .075 3. ,560 -16. .296 1. ,00 0. .00 ATOM 5795 H2 H20 2098 12. ,285 4. ,414 -16. ,600 1. 00 0. .00 ATOM 5796 OH2 H20 2365 9. ,223 -0. ,496 -14. ,217 1. 00 54. ,84 ATOM 5797 HI H20 2365 9. ,824 -1. 238 -14. ,298 1. 00 0. ,00 ATOM 5798 H2 H20 2365 9. 151 -0. 395 -13. ,258 1. 00 0. ,00 ATOM 5799 OH2 H20 2404 12. ,428 8. ,296 -6. ,209 1. 00 9. ,63 ATOM 5800 HI H20 2404 13. 062 8. 041 -5. ,522 1. 00 0. ,00 ATOM 5801 H2 H20 2404 11. 618 8. 368 -5. 696 1. 00 0. ,00 ATOM 5802 OH2 H20 2156 12. 447 8. 353 -8. 928 1. 00 14. ,17 ATOM 5803 HI H20 2156 12. 431 8. 321 -7. 945 1. 00 0. 00 ATOM 5804 H2 H20 2156 12. 713 9. 272 -9. 054 1. 00 0. 00 377 ATOM 5805 0H2 H20 2423 11.556 21.534 9.898 1.00 47.08 ATOM 5806 HI H20 2423 11.961 21.494 10.776 1.00 0.00 ATOM 5807 H2 H20 2423 12.201 21.063 9.362 1.00 0.00 ATOM 5808 OH2 H20 2299 16.641 12.291 5.375 1.00 46.28 ATOM 5809 HI H20 2299 16.261 13.167 5.230 1.00 0.00 ATOM 5810 H2 H20 2299 16.480 12.192 6.327 1.00 0.00 ATOM 5811 0H2 H20 2232 53.010 -16.149 14.337 1.00 24.27 ATOM 5812 HI H20 2232 52.288 -15.839 14.896 1.00 0.00 ATOM 5813 H2 H20 2232 52.553 -16.366 13.518 1.00 0.00 ATOM 5814 OH2 H20 2100 57.480 -6.928 18.196 1.00 40.81 ATOM 5815 HI H20 2100 57.150 -6.086 18.572 1.00 0.00 ATOM 5816 H2 H20 2100 56.946 -6.989 17.402 1.00 0.00 ATOM 5817 OH2 H20 2111 54.138 -5.214 16.024 1.00 25.96 ATOM 5818 HI H20 2111 53.742 -4.396 15.713 1.00 0.00 ATOM 5819 H2 H20 2111 53.615 -5.424 16.797 1.00 0.00 ATOM 5820 OH2 H20 2137 48.495 -20.103 22.150 1.00 23.95 ATOM 5821 HI H20 2137 48.754 -20.324 21.248 1.00 0.00 ATOM 5822 H2 H20 2137 47.706 -19.564 22.023 1.00 0.00 ATOM 5823 OH2 H20 2018 41.599 -13.711 26.160 1.00 17.34 ATOM 5824 HI H20 2018 42.183 -14.405 26.481 1.00 0.00 ATOM 5825 H2 H20 2018 41.682 -13.790 25.203 1.00 0.00 ATOM 5826 OH2 H20 2220 39.734 -11.952 27.025 1.00 13.25 ATOM 5827 HI H20 2220 39.941 -11.999 27.961 1.00 0.00 ATOM 5828 H2 H20 2220 40.429 -12.556 26.668 1.00 0.00 ATOM 5829 OH2 H20 2007 38.551 -8.691 27.629 1.00 11.59 ATOM 5830 HI H20 2007 38.595 -9.046 28.528 1.00 0.00 ATOM 5831 H2 H20 2007 39.156 -9.276 27.166 1.00 0.00 ATOM 5832 OH2 H20 2338 39.902 -21.211 23.898 1.00 42.52 ATOM 5833 HI H20 2338 40.074 -21.614 23.041 1.00 0.00 ATOM 5834 H2 H20 2338 40.667 -20.628 23.991 1.00 0.00 ATOM 5835 OH2 H20 2170 37.082 -11.430 19.932 1.00 8.72 ATOM 5836 HI H20 2170 37.916 -10.964 20.031 1.00 0.00 ATOM 5837 H2 H20 2170 36.648 -11.216 20.773 1.00 0.00 ATOM 5838 OH2 H20 2291 35.762 -12.267 17.716 1.00 29.90 ATOM 5839 HI H20 2291 35.672 -13.215 17.815 1.00 0.00 ATOM 5840 H2 H20 2291 36.292 -12.037 18.513 1.00 0.00 ATOM 5841 OH2 H20 2272 39.915 -10.797 17.685 1.00 44.60 ATOM 5842 HI H20 2272 39.983 -10.215 16.922 1.00 0.00 ATOM 5843 H2 H20 2272 40.129 -10.212 18.420 1.00 0.00 - 378 ATOM 5844 OH2 H20 2197 43.409 -20.674 28.340 1.00 42.19 ATOM 5845 HI H20 2197 43 .896 -21 .187 27 .683 1 .00 0 .00 ATOM 5846 H2 H20 2197 42 .571 -21 .155 28 .384 1 .00 0 .00 ATOM 5847 OH2 H20 2121 39 .304 -19 .820 27 .794 1 .00 27 .99 ATOM 5848 HI H20 2121 39 .361 -20 .164 26 .895 1 .00 0 .00 ATOM 5849 H2 H20 2121 38 .371 -19 .897 27 .999 1 .00 0 .00 ATOM 5850 OH2 H20 2407 51 .999 -9 .716 41 .121 1 .00 70 .95 ATOM 5851 HI H20 2407 52 .431 -9 .793 41 .974 1 .00 0 .00 ATOM 5852 H2 H20 2407 52 .746 -9 .752 40 .505 1 .00 0 .00 ATOM 5853 OH2 H20 2359 43 .346 -4 .177 37 .568 1 .00 42 .93 ATOM 5854 HI H20 2359 42 .843 -3 .822 36 .819 1 .00 0 .00 ATOM 5855 H2 H20 2359 43 .092 -3 .596 38 .289 1 .00 0 .00 ATOM 5856 OH2 H20 2391 55 .832 -19 .332 27 .628 1. .00 23 .55 ATOM 5857 HI H20 2391 55 .780 -18, .633 26 .968 1, .00 0, .00 ATOM 5858 H2 H20 2391 56 .673 -19, .147 28, .044 1 .00 0, .00 ATOM 5859 OH2 H20 2047 50 .968 -7 .693 22 .248 1, .00 96. .94 ATOM 5860 HI H20 2047 50 .442 -7, .529 21, .462 1, .00 0, .00 ATOM 5861 H2 H20 2047 51, .298 -6. .818 22. .456 1, .00 0, .00 ATOM 5862 OH2 H20 2055 35. .378 -14. .080 21. .765 1. .00 19. .87 ATOM 5863 HI H20 2055 35. .625 -14. .970 21. .492 1. ,00 0. .00 ATOM 5864 H2 H20 2055 36. .179 -13. .577 21. .544 1. .00 0. .00 ATOM 5865 OH2 H20 2006 34. .501 -16. .131 23. .435 1. .00 11. .58 ATOM 5866 HI H20 2006 34. .648 -15. .191 23. .259 1. .00 0. .00 ATOM 5867 H2 H20 2006 34. .190 -16. .133 24. .347 1. ,00 0. .00 ATOM 5868 OH2 H20 2438 44. .149 -6. ,639 36. ,075 1. ,00 31. .31 ATOM 5869 HI H20 2438 43. .202 -6. ,824 36. ,071 1. 00 0. ,00 ATOM 5870 H2 H20 2438 44. .191 -5. .912 36. ,717 1. ,00 0. ,00 ATOM 5871 OH2 H20 2354 36. .028 -4. .916 25. ,879 1. 00 29. .54 ATOM 5872 HI H20 2354 35. .896 -4. .591 26. ,772 1. 00 0. ,00 ATOM 5873 H2 H20 2354 35. .939 -5. 866 25. 990 1. 00 0. ,00 ATOM 5874 OH2 H20 2308 33. ,617 -4. 709 31. 374 1. 00 21. ,34 ATOM 5875 HI H20 2308 34. ,430 -5. .022 31. ,830 1. 00 0. ,00 ATOM 5876 H2 H20 2308 33. ,358 -3. 976 31. 956 1. 00 0. ,00 ATOM 5877 OH2 H20 2420 37. ,905 7. 003 18. 893 1. 00 37. 09 ATOM 5878 HI H20 2420 38. 486 6. 250 19. 034 1. 00 0. 00 ATOM 5879 H2 H20 2420 38. 528 7. 722 18. 774 1. 00 0. 00 ATOM 5880 OH2 H20 2185 41. 075 7. 225 20. 364 1. 00 48. 82 ATOM 5881 HI H20 2185 40. 346 7. 335 20. 976 1. 00 0. 00 ATOM 5882 H2 H20 2185 41. 785 6. 958 20. 967 1. 00 0. 00 379 ATOM 5883 OH2 H20 2402 57.143 -2.340 11.369 1.00 27.22 ATOM 5884 HI H20 2402 57 .652 -1 .628 11 .759 1 .00 0 .00 ATOM 5885 H2 H20 2402 56 .387 -1 .842 10 .998 1 .00 0 .00 ATOM 5886 OH2 H20 2090 58 .792 -4 .704 21 .220 1 .00 45 .35 ATOM 5887 HI H20 2090 59 .176 -4 .804 22 .105 1 .00 0, .00 ATOM 5888 H2 H20 2090 59, .358 -5 .288 20 .706 1 .00 0, .00 ATOM 5889 OH2 H20 2214 61 .585 1 .744 22 .791 1 .00 66, .01 ATOM 5890 HI H20 2214 60, .908 1 .086 22 .576 1, .00 0, .00 ATOM 5891 H2 H20 2214 61, .115 2 .206 23 .499 1, .00 0, .00 ATOM 5892 OH2 H20 2180 47. .497 -23, .533 21. .262 1, .00 19. .46 ATOM 5893 HI H20 2180 48. .118 -24, .053 20. .714 1. .00 0. .00 ATOM 5894 H2 H20 2180 47. .939 -22, .672 21, .265 1. .00 0. .00 ATOM 5895 OH2 H20 2208 45. .577 -25. .548 24, .777 1. .00 34. .69 ATOM 5896 HI H20 2208 44. .707 -25, .952 24, .684 1. .00 0. .00 ATOM 5897 H2 H20 2208 46. .149 -26. .159 24, .313 1. .00 0. .00 ATOM 5898 OH2 H20 2033 24. .690 -14. .893 21. .736 1. .00 5. .32 ATOM 5899 HI H20 2033 25. .308 -15. .101 21. .006 1. .00 0. .00 ATOM 5900 H2 H20 2033 24. .598 -13. .934 21. .584 1. ,00 0. .00 ATOM 5901 OH2 H20 2160 30. .810 -9. .362 1. .806 1. ,00 63. .50 ATOM 5902 HI H20 2160 31. .326 -8. .858 2. .443 1. .00 0. .00 ATOM 5903 H2 H20 2160 30. .705 -10. .213 2. .259 1. ,00 0. .00 ATOM 5904 OH2 H20 2194 31. .416 -15. .610 7. .447 1. .00 65. .23 ATOM 5905 HI H20 2194 31. .229 -16. .277 6. .772 1. ,00 0. .00 ATOM 5906 H2 H20 2194 32. .035 -15. .023 7. .010 1. ,00 0. .00 ATOM 5907 OH2 H20 2370 31. .999 -15. .570 12. .535 1. ,00 24. .67 ATOM 5908 HI H20 2370 32. .407 -16. .359 12. .895 1. ,00 0. .00 ATOM 5909 H2 H20 2370 31. .786 -15. .803 11. .629 1. .00 0. .00 ATOM 5910 OH2 H20 2136 29. .123 -28. .115 11. .438 1. .00 35, .74 ATOM 5911 HI H20 2136 29. .011 -28. .804 10. .776 1. .00 0, .00 ATOM 5912 H2 H20 2136 28. .613 -27. .383 11. .083 1. .00 0, .00 ATOM 5913 OH2 H20 2030 23. .452 -11. .832 22. .557 1. .00 10. .50 ATOM 5914 HI H20 2030 22. .530 -11. .594 22, .374 1. .00 0. .00 ATOM 5915 H2 H20 2030 23. .864 -10. .993 22. .317 1. .00 0. .00 ATOM 5916 OH2 H20 2412 20. .673 -7, .099 20, .940 1. .00 56, .26 ATOM 5917 HI H20 2412 20. .237 -7, .012 21, .808 1, .00 0 .00 ATOM 5918 H2 H20 2412 20, .180 -6, .433 20, .446 1, .00 0 .00 ATOM 5919 OH2 H20 2089 15. .819 -22. .003 23, .299 1. .00 35 .26 ATOM 5920 HI H20 2089 15, .795 -22. .742 22. .683 1. .00 0. .00 ATOM 5921 H2 H20 2089 16. .771 -21. .953 23, .470 1. .00 0. .00 380 ATOM 5922 OH2 H20 2072 11.320 -15.295 32.192 1.00 20.48 ATOM 5923 HI H20 2072 11 .654 -15 .091 31 .308 1 .00 0 .00 ATOM 5924 H2 H20 2072 11 .384 -16 .258 32 .186 1 .00 0 .00 ATOM 5925 OH2 H20 2316 10 .042 -12 .494 33 .237 1 .00 24 .17 ATOM 5926 HI H20 2316 10 .406 -13 .370 32 .999 1 .00 0 .00 ATOM 5927 H2 H20 2316 10 .289 -12 .453 34 .164 1 .00 0 .00 ATOM 5928 OH2 H20 2399 8 .603 -14 .948 35 .233 1 .00 23 .99 ATOM 5929 HI H20 2399 8 .313 -14 .487 36 .053 1 .00 0 .00 ATOM 5930 H2 H20 2399 8 .473 -14 .262 34 .569 1 .00 0 .00 ATOM 5931 OH2 H20 2192 7 .916 -13 .636 37 .451 1 .00 70 .33 ATOM 5932 HI H20 2192 7 .104 -13 .217 37 .761 1 .00 0 .00 ATOM 5933 H2 H20 2192 8 .601 -13 .075 37 .836 1 .00 0 .00 ATOM 5934 OH2 H20 2231 8 .067 -13 .460 23 .591 1 .00 38 .21 ATOM 5935 HI H20 2231 8 .632 -14 .192 23 .328 1 .00 0 .00 ATOM 5936 H2 H20 2231 7 .984 -12 .955 22 .777 1, .00 0 .00 ATOM 5937 OH2 H20 2161 16, .836 -33 .080 34, .391 1, .00 54, .29 ATOM 5938 HI H20 2161 16. .968 -33 .045 35, .343 1. .00 0, .00 ATOM 5939 H2 H20 2161 17. .012 -32, .166 34, .136 1. .00 0, .00 ATOM 5940 OH2 H20 2140 26. .971 -29, .009 44, .630 1. .00 9. .87 ATOM 5941 HI H20 2140 26. .721 -29, .930 44. .498 1. .00 0. .00 ATOM 5942 H2 H20 2140 27. .184 -28. .985 45. .569 1. .00 0. .00 ATOM 5943 OH2 H20 2246 23. .752 -26. .455 45. .524 1. .00 8. .02 ATOM 5944 HI H20 2246 24. .151 -27. .078 46. .149 1. .00 0. .00 ATOM 5945 H2 H20 2246 23. .459 -27. .079 44. .834 1. .00 0. .00 ATOM 5946 OH2 H20 2440 13. .303 -10. .401 26. .635 1. ,00 52. .80 ATOM 5947 HI H20 2440 13. ,963 -10. .537 27. .326 1. ,00 0. .00 ATOM 5948 H2 H20 2440 12. ,478 -10. .553 27. ,125 1. ,00 0. .00 ATOM 5949 OH2 H20 2331 15. ,775 -24. ,807 48. ,886 1. ,00 17. .34 ATOM 5950 HI H20 2331 16. ,212 -25. ,108 48. ,074 1. 00 0. 00 ATOM 5951 H2 H20 2331 16. 323 -24. ,056 49. ,119 1. 00 0. 00 ATOM 5952 OH2 H20 2070 15. 042 -18. 872 44. 584 1. 00 18. 63 ATOM 5953 HI H20 2070 15. 952 -18. 620 44. 779 1. 00 0. 00 ATOM 5954 H2 H20 2070 14. 605 -18. 849 45. 437 1. 00 0. 00 ATOM 5955 OH2 H20 2271 17. 717 -14. 518 46. 249 1. 00 47. 83 ATOM 5956 HI H20 2271 17. 672 -14. 366 45. 294 1. 00 0. 00 ATOM 5957 H2 H20 2271 17. 046 -15. 189 46. 389 1. 00 0. 00 ATOM 5958 OH2 H20 2379 25. 821 -12. 138 44. 278 1. 00 32. 22 ATOM 5959 HI H20 2379 26. 013 -11. 483 43. 596 1. 00 0. 00 ATOM 5960 H2 H20 2379 25. 466 -11. 558 44. 966 1. 00 0. 00 - 381 ATOM 5961 OH2 H20 2108 20.565 -8.761 39.099 1.00 2.25 ATOM 5962 HI H20 2108 21 .504 -8 .707 39 .314 1 .00 0 .00 ATOM 5963 H2- H20 2108 20 .219 -8 .866 39 .994 1 .00 0 .00 ATOM 5964 OH2 H20 2328 24 .406 -6 .118 40 .654 1 .00 14 .45 ATOM 5965 HI H20 2328 23 .863 -5 .355 40 .422 1 .00 0 .00 ATOM 5966 H2 H20 2328 25 .189 -5 .982 40 .110 1 .00 0 .00 ATOM 5967 OH2 H20 2425 21 .666 -3 .377 40 .429 1 .00 52 .73 ATOM 5968 HI H20 2425 21 .213 -3 .720 41 .201 1, .00 0 .00 ATOM 5969 H2 H20 2425 20 .930 -3 .079 39 .862 1, .00 0 .00 ATOM 5970 OH2 H20 2205 21. .184 -1 .374 23. .368 1, .00 17. .33 ATOM 5971 HI H20 2205 20. .516 -1 .305 24. .082 1. .00 0. .00 ATOM 5972 H2 H20 2205 20. .771 -1, .991 22. .764 1. .00 0. .00 ATOM 5973 OH2 H20 2362 19. .416 -1, .273 25. .451 1. .00 28. .10 ATOM 5974 HI H20 2362 20. .154 -0, .939 25. .985 1. .00 0. .00 ATOM 5975 H2 H20 2362 18. .683 -1, .148 26. .064 1. .00 0. .00 ATOM 5976 OH2 H20 2061 24. .677 1. .554 32. .306 1. .00 11. .86 ATOM 5977 HI H20 2061 24. .757 0, .836 32. .940 1. .00 0. .00 ATOM 5978 H2 H20 2061 24. .437 2. .296 32. .864 1. .00 0. .00 ATOM 5979 OH2 H20 2119 27. .988 -8. .763 33. .829 1. ,00 17. .60 ATOM 5980 HI H20 2119 28. .536 -8. .635 33. .040 1. ,00 0. .00 ATOM 5981 H2 H20 2119 28. .598 -9. .196 34. .463 1. ,00 0. ,00 ATOM 5982 OH2 H20 2348 32. .711 -3. .156 40. .465 1. ,00 16. .04 ATOM 5983 HI H20 2348 32. .068 -3. .312 39. .768 1. .00 0. .00 ATOM 5984 H2 H20 2348 33. .008 -4. .037 40. .705 1. .00 0. .00 ATOM 5985 OH2 H20 2312 32. .395 -3. .078 33. .580 1. .00 31. .42 ATOM 5986 HI H20 2312 31. .958 -3, .871 33. .911 1. ,00 0. .00 ATOM 5987 H2 H20 2312 31. .799 -2, .392 33. .903 1. .00 0. .00 ATOM 5988 OH2 H20 2344 33. .317 0, .119 30. .693 1. .00 56. .56 ATOM 5989 HI H20 2344 34. .118 -0. .155 31. .142 1. .00 0. .00 ATOM 5990 H2 H20 2344 32. .652 -0, .479 31. .039 1. .00 0. .00 ATOM 5991 OH2 H20 2333 35. .576 -5, .496 33. .034 1. .00 18. .08 ATOM 5992 HI H20 2333 35. .635 -6, .428 33. .271 1. .00 0. .00 ATOM 5993 H2 H20 2333 35. .578 -5, .071 33. .898 1. .00 0. .00 ATOM 5994 OH2 H20 2077 33. .384 -15, .305 26. .976 1. .00 20. .62 ATOM 5995 HI H20 2077 33. .638 -14, .532 26. .459 1. .00 0. .00 ATOM 5996 H2 H20 2077 32. .779 -14, .932 27. .622 1. .00 0, .00 ATOM 5997 OH2 H20 2172 26. .897 -25, .114 28. .985 1. .00 30, .56 ATOM 5998 HI H20 2172 27. .153 -24, .490 28. .305 1. .00 0. .00 ATOM 5999 H2 H20 2172 27. .491 -24, .907 29. .710 1. .00 0. .00 382 - WO97/08300 F P » cCτT/US96/13918 ATOM 6000 OH2 H20 2446 44 .010 -15 .901 36 .613 1 .00 37 .57 ATOM 6001 HI H20 2446 44 .830 -15 .428 36 .448 1 .00 0 .00 ATOM 6002 H2 H20 2446 44 .123 -16 .235 37 .506 1 .00 0 .00 ATOM 6003 OH2 H20 2433 38 .438 -17 .405 38 .176 1 .00 48 .29 ATOM 6004 HI H20 2433 39 .273 -17 .807 37 .928 1 .00 0 .00 ATOM 6005 H2 H20 2433 37 .797 -17 .920 37 .666 1 .00 0 .00 ATOM 6006 OH2 H20 2067 29 .531 -9 .895 35 .716 1 .00 14 .12 ATOM 6007 HI H20 2067 29 .864 -9 .637 36 .590 1 .00 0 .00 ATOM 6008 H2 H20 2067 29 .434 -10 .847 35 .846 1 .00 0 .00 ATOM 6009 OH2 H20 2321 35 .644 -17 .632 40 .417 1 .00 20 .37 ATOM 6010 HI H20 2321 35 .574 -18 .582 40 .274 1 .00 0 .00 ATOM 6011 H2 H20 2321 36 .571 -17 .459 40 .197 1 .00 0 .00 ATOM 6012 OH2 H20 2062 24 .202 -17 .470 37 .624 1 .00 45 .80 ATOM 6013 HI H20 2062 24 .163 -18 .245 37 .065 1, .00 0 .00 ATOM 6014 H2 H20 2062 25 .140 -17, .311 37 .751 1, .00 0. .00 ATOM 6015 OH2 H20 2120 13 .699 -5, .868 38 .824 1, .00 30. .28 ATOM 6016 HI H20 2120 14, .554 -6, .277 39, .001 1. .00 0. .00 ATOM 6017 H2 H20 2120 13, .728 -5, .092 39. .392 1. .00 0, .00 ATOM 6018 OH2 H20 2154 9. .242 -14. .997 28. .355 1. .00 24. .97 ATOM 6019 HI H20 2154 9, .669 -14. .959 27. .498 1. .00 0. .00 ATOM 6020 H2 H20 2154 9. .793 -15. .603 28. .854 1. .00 0. .00 ATOM 6021 OH2 H20 2249 25. .464 -8. .982 47. .160 1. .00 21. .25 ATOM 6022 HI H20 2249 25. .372 -8. .692 48. .068 1. .00 0. .00 ATOM 6023 H2 H20 2249 25. .631 -8. .176 46. .668 1. ,00 0. .00 ATOM 6024 OH2 H20 2300 29. .028 -2. .245 34. .431 1. .00 41. .04 ATOM 6025 HI H20 2300 29. .282 -3. .175 34. .367 1. .00 0. .00 ATOM 6026 H2 H20 2300 28. .487 -2. .123 33. .650 1. ,00 0. .00 ATOM 6027 OH2 H20 2204 33. .950 -9. .271 48. ,503 1. ,00 28. .17 ATOM 6028 HI H20 2204 33. .742 -9. .522 49. ,406 1. ,00 0. .00 ATOM 6029 H2 H20 2204 33. ,127 -9. ,462 48. ,040 1. 00 0. .00 ATOM 6030 OH2 H20 2288 40. ,485 -9. ,257 37. ,985 1. 00 13. .77 ATOM 6031 HI H20 2288 41. ,241 -9. ,027 37. 430 1. 00 0. ,00 ATOM 6032 H2 H20 2288 40. ,854 -9. ,285 38. 872 1. 00 0. ,00 ATOM 6033 OH2 H20 2141 40. ,365 -14. 937 30. 859 1. 00 20. ,91 ATOM 6034 HI H20 2141 40. ,009 -14. 090 31. 144 1. 00 0. ,00 ATOM 6035 H2 H20 2141 39. 970 -15. 022 29. 984 1. 00 0. ,00 ATOM 6036 OH2 H20 2101 45. 271 6. 055 35. 780 1. 00 63. ,28 ATOM 6037 HI H20 2101 45. 897 6. 745 35. 495 1. 00 0. 00 ATOM 6038 H2 H20 2101 45. 071 5. 698 34. 903 1. 00 0. 00 383 - ATOM 6039 OH2 H20 2010 32.554 4.915 -4.911 1.00 28.06 ATOM 6040 HI H20 2010 32 .927 5 .785 -4 .780 1 .00 0 .00 ATOM 6041 H2 H20 2010 32 .828 4 .445 -4 .101 1 .00 0 .00 ATOM 6042 OH2 H20 2015 21 .877 -20 .746 49 .067 1 .00 8 .80 ATOM 6043 HI H20 2015 22 .711 -20 .839 49 .547 1 .00 0 .00 ATOM 6044 H2 H20 2015 22 .034 -21 .259 48 .267 1 .00 0 .00 ATOM 6045 OH2 H20 3191 -3 .078 -4 .252 10 .967 1 .00 16 .19 ATOM 6046 HI H20 3191 -3 .469 -3 .684 11 .636 1 .00 0 .00 ATOM 6047 H2 H20 3191 -3 .834 -4 .669 10 .551 1 .00 0 .00 ATOM 6048 OH2 H20 3147 8 .060 -4 .377 9 .828 1, .00 16, .74 ATOM 6049 HI H20 3147 8, .121 -4 .590 10 .768 1, .00 0, .00 ATOM 6050 H2 H20 3147 8, .142 -5. .258 9 .435 1. .00 0, .00 ATOM 6051 OH2 H20 3098 5. .207 8. .717 -7. .692 1. .00 30. .64 ATOM 6052 HI H20 3098 4. .246 8, .849 -7 .841 1. .00 0. .00 ATOM 6053 H2 H20 3098 5, .523 8. .644 -8 .595 1. .00 0. .00 ATOM 6054 OH2 H20 3156 2. .425 9. .047 -8. .391 1. ,00 29. .49 ATOM 6055 HI H20 3156 1. .889 8. .446 -8. .916 1. .00 0. .00 ATOM 6056 H2 H20 3156 1. .733 9. .656 -8. .061 1. .00 0. .00 ATOM 6057 OH2 H20 3104 9. .654 2. .444 -4. .630 1. ,00 38. ,50 ATOM 6058 HI H20 3104 9. .692 3. .402 -4. .681 1. 00 0. ,00 ATOM 6059 H2 H20 3104 10. .346 2. .182 -5. .249 1. 00 0. ,00 ATOM 6060 OH2 H20 3212 15. ,589 9. .732 -1. .575 1. 00 19. ,23 ATOM 6061 HI H20 3212 14. .759 10. .169 -1. .343 1. 00 0. ,00 ATOM 6062 H2 H20 3212 16. .112 10. .516 -1. .784 1. ,00 0. ,00 ATOM 6063 OH2 H20 3181 -3. .743 1. ,638 1. .512 1. ,00 27. .00 ATOM 6064 HI H20 3181 -2. ,961 1. .156 1. .243 1. 00 0. ,00 ATOM 6065 H2 H20 3181 -4. ,400 1. .099 1. .016 1. 00 0. ,00 ATOM 6066 OH2 H20 3019 -4. .806 -0. .424 0. .257 1. ,00 26. .95 ATOM 6067 HI H20 3019 -4. .368 -1. .251 0. .014 1. 00 0. ,00 ATOM 6068 H2 H20 3019 -5. .295 -0. .744 1. .049 1. ,00 0. .00 ATOM 6069 OH2 H20 3178 -5. .835 -1. .383 2. .620 1. ,00 25. .81 ATOM 6070 HI H20 3178 -5. .525 -2. .113 3. .165 1. 00 0. ,00 ATOM 6071 H2 H20 3178 -5. .630 -0. .630 3. .204 1. ,00 0. .00 ATOM 6072 OH2 H20 3141 31. .801 -27. .442 2. .541 1. .00 42. .64 ATOM 6073 HI H20 3141 31. .519 -27. .882 1. .730 1. .00 0. .00 ATOM 6074 H2 H20 3141 32. .479 -28. .053 2. .863 1. .00 0. .00 ATOM 6075 OH2 H20 3125 0. .814 26. .814 11. .397 1. ,00 42. .53 ATOM 6076 HI H20 3125 0. .885 27. .670 11. .830 1. ,00 0. .00 ATOM 6077 K2 H20 3125 -0. .088 26. .558 11. .618 1. ,00 0. .00 384 ATOM 6078 OH2 H20 3013 8.353 -1.014 13.721 1.00 39.02 ATOM 6079 HI H20 3013 9 .135 -0 .527 13 .410 1 .00 0 .00 ATOM 6080 H2 H20 3013 7 .943 -1 .259 12 .884 1 .00 0 .00 ATOM 6081 OH2 H20 3029 16 .903 3 .887 5 .300 1 .00 15 .87 ATOM 6082 HI H20 3029 16 .700 3 .026 5 .691 1 .00 0 .00 ATOM 6083 H2 H20 3029 16 .844 3 .720 4 .351 1 .00 0 .00 ATOM 6084 OH2 H20 3064 8 .191 20 .675 1 .300 1 .00 33 .79 ATOM 6085 HI H20 3064 8 .643 21 .164 0 .604 1 .00 0 .00 ATOM 6086 H2 H20 3064 7 .835 19 .914 0 .829 1 .00 0 .00 ATOM 6087 OH2 H20 3090 -2 .265 27 .363 13 .784 1 .00 57 .66 ATOM 6088 HI H20 3090 -2 .320 26 .647 14 .421 1 .00 0 .00 ATOM 6089 H2 H20 3090 -3 .039 27 .231 13 .231 1 .00 0 .00 ATOM 6090 OH2 H20 3199 17 .013 1 .765 10 .108 1, .00 33 .28 ATOM 6091 HI H20 3199 17 .299 1 .776 11, .032 1, .00 0 .00 ATOM 6092 H2 H20 3199 17, .836 1 .578 9, .644 1. .00 0 .00 ATOM 6093 OH2 H20 3058 19 .287 -2 .958 9 .801 1. .00 35 .84 ATOM 6094 HI H20 3058 19, .593 -3 .850 10. .036 1. .00 0, .00 ATOM 6095 H2 H20 3058 19. .775 -2, .798 8. .991 1. .00 0, .00 ATOM 6096 OH2 H20 3223 -9. .812 -0, .517 10. .459 1. .00 66. .07 ATOM 6097 HI H20 3223 -9. .918 0. .387 10. .100 1. .00 0. .00 ATOM 6098 H2 H20 3223 •10. .701 -0. .862 10. .362 1. .00 0. .00 ATOM 6099 OH2 H20 3194 24. .050 -18. .614 -0. .304 1. .00 32. .20 ATOM 6100 HI H20 3194 23. .909 -19. .568 -0. .359 1. .00 0. .00 ATOM 6101 H2 H20 3194 23. .458 -18. .365 0. .415 1. ,00 0. .00 ATOM 6102 OH2 H20 3137 18. .552 -14. .358 -19. .355 1. 00 64. .23 ATOM 6103 HI H20 3137 19. ,371 -13. .903 -19. ,578 1. 00 0. ,00 ATOM 6104 H2 H20 3137 18. ,856 -15. .295 -19. .328 1. 00 0. ,00 ATOM 6105 OH2 H20 3108 22. .639 14. .497 -11. ,334 1. 00 51. ,77 ATOM 6106 HI H20 3108 22. ,763 14. ,199 -12. ,248 1. 00 0. ,00 ATOM 6107 H2 H20 3108 23. ,235 13. ,880 -10. 879 1. 00 0. ,00 ATOM 6108 OH2 H20 3091 56. 601 -4. ,492 19. 249 1. 00 48. 51 ATOM 6109 HI H20 3091 57. ,268 -4. ,523 19. 963 1. 00 0. ,00 ATOM 6110 H2 H20 3091 56. ,163 -3. ,659 19. 474 1. 00 0. ,00 ATOM 6111 OH2 H20 3017 47. 313 -10. 322 26. 171 1. 00102. ,08 ATOM 6112 HI H20 3017 48. 025 -10. 044 25. 576 1. 00 0. 00 ATOM 6113 H2 H20 3017 46. 553 -10. 276 25. 584 1. 00 0. 00 ATOM 6114 OH2 H20 3117 36. 098 1. 714 21. 377 1. 00 39. 42 ATOM 6115 HI H20 3117 35. 588 0. 898 21. 398 1. 00 0. 00 ATOM 6116 H2 H20 3117 35. 861 2. 135 22. 207 1. 00 0. 00 - 385 ATOM 6117 OH2 H20 3200 9.862 -19.643 45.852 1.00 43.84 ATOM 6118 HI H20 3200 9 .445 -19 .512 44 .999 1, .00 0 .00 ATOM 6119 H2 H20 3200 9 .166 -19 .458 46 .485 1, .00 0 .00 ATOM 6120 OH2 H20 3040 28 .246 -22 .043 26 .268 1, .00 21, .05 ATOM 6121 HI H20 3040 29 .090 -22 .212 25, .842 1, .00 0, .00 ATOM 6122 H2 H20 3040 28 .110 -21 .103 26, .103 1, .00 0, .00 ATOM 6123 OH2 H20 3047 32 .378 -20, .251 42, .121 1, .00 20, .98 ATOM 6124 HI H20 3047 32, .631 -19, .373 42, .435 1, .00 0, .00 ATOM 6125 H2 H20 3047 32, .745 -20, .828 42. .799 1. .00 0, .00 ATOM 6126 OH2 H20 3061- 26. .628 -27. .624 38. .628 1. .00 16. .19 ATOM 6127 HI H20 3061 25. .753 -27. .319 38. .895 1. .00 0. .00 ATOM 6128 H2 H20 3061 27. .210 -27. .114 39. .215 1. .00 0. .00 ATOM 6129 OH2 H20 3206 15. .002 -7. .120 42. .223 1. .00 29. .38 ATOM 6130 HI H20 3206 14. .082 -7. .406 42. .327 1. .00 0. .00 ATOM 6131 H2 H20 3206 15. .150 -6. .557 42. .986 1. .00 0. .00 ATOM 6132 OH2 H20 3045 41. .800 -16. .544 33. .852 1. .00 33. .08 ATOM 6133 HI H20 3045 40. .959 -16. .083 33. .908 1. .00 0. .00 ATOM 6134 H2 H20 3045 42. .155 -16. .453 34. .748 1. .00 0. .00 END *Note: See copyright notice on page 1, - 386 Appendix IV: Coordinates for the 3D εtructure of SYK-C:peptide complex created by user: dave ATOM 1 N THR 1 4.888 9.383 9.370 1.00 1.25 PEP ATOM 2 HN THR 1 4.897 8.671 10.072 1.00 1.30 PEP ATOM 3 CA THR 1 5.664 9.239 8.157 1.00 1.17 PEP ATOM 4 HA THR 1 6.160 10.195 7.974 1.00 1.22 PEP ATOM 5 CB THR 1 6.679 8.116 8.338 1.00 1.23 PEP ATOM 6 HB THR 1 6.327 7.446 9.117 1.00 1.29 PEP ATOM 7 OG1 THR 1 7.908 8.651 8.766 1.00 1.37 PEP ATOM 8 HG1 THR 1 8.091 8.269 9.614 1.00 1.72 PEP ATOM 9 CG2 THR 1 6.889 7.323 7.048 1.00 1.13 PEP ATOM 10 HG21 THR 1 6.764 7.967 6.175 1.00 1.37 PEP ATOM 11 HG22 THR 1 7.885 6.893 7.012 1.00 1.59 PEP ATOM 12 HG23 THR 1 6.165 6.511 6.970 1.00 1.49 PEP ATOM 13 C THR 1 4.724 8.926 6.998 1.00 1.00 PEP ATOM 14 O THR 1 4.484 7.776 6.650 1.00 0.99 PEP ATOM 15 CT2 THR 1 3.263 10.438 10.767 1.00 1.39 PEP ATOM 16 HT21 THR 1 2.897 9.423 10.918 1.00 1.48 PEP ATOM 17 HT22 THR 1 3.830 10.744 11.645 1.00 1.89 PEP ATOM 18 HT23 THR 1 2.412 11.106 10.644 1.00 1.82 PEP ATOM 19 CNT THR 1 4.150 10.492 9.528 1.00 1.28 PEP ATOM 20 ONT THR 1 4.157 11.458 8.775 1.00 1.27 PEP ATOM 21 N PTYR 2 4.187 10.014 6.438 1.00 0.94 PEP ATOM 22 HN PTYR 2 4.382 10.915 6.792 1.00 1.03 PEP ATOM 23 CA PTYR 2 3.272 9.812 5.331 1.00 0.82 PEP ATOM 24 HA PTYR 2 3.596 8.897 4.834 1.00 0.77 PEP ATOM 25 CB PTYR 2 1.861 9.638 5.864 1.00 0.82 PEP ATOM 26 HB1 PTYR 2 1.549 10.512 6.435 1.00 0.91 PEP ATOM 27 HB2 PTYR 2 1.151 9.496 5.049 1.00 0.76 PEP ATOM 28 CG PTYR 2 1.861 8.447 6.740 1.00 0.84 PEP ATOM 29 CDl PTYR 2 1.804 7.154 6.171 1.00 0.75 PEP ATOM 30 HD1 PTYR 2 1.650 7.036 5.110 1.00 0.67 PEP ATOM 31 CEI PTYR 2 1.984 6.023 6.974 1.00 0.82 PEP ATOM 32 HEI PTYR 2 1.976 5.051 6.522 1.00 0.78 PEP ATOM 33 CD2 PTYR 2 2.091 8.598 8.127 1.00 1.00 PEP ATOM 34 HD2 PTYR 2 2.160 9.584 8.557 1.00 1.09 PEP 387 ATOM 35 CE2 PTYR 2 2.275 7.471 8.938 1.00 1.06 PEP ATOM 36 HE2 PTYR 2 2.506 7.601 9.977 1.00 1.20 PEP ATOM 37 CZ PTYR 2 2.218 6.185 8.359 1.00 0.97 PEP ATOM 38 OH PTYR 2 2.396 5.057 9.180 1.00 1.07 PEP ATOM 39 P04 PTYR 2 2.748 3.685 8.518 1.00 1.77 PEP ATOM 40 OC1 PTYR 2 1.375 3.038 8.201 1.00 2.43 PEP ATOM 41 OC2 PTYR 2 3.442 2.874 9.642 1.00 2.32 PEP ATOM 42 OT PTYR 2 3.609 3.836 7.299 1.00 2.72 PEP ATOM 43 C PTYR 2 3.336 10.946 4.334 1.00 0.81 PEP ATOM 44 O PTYR 2 2.857 12.052 4.556 1.00 0.95 PEP ATOM 45 N GLU 3 3.965 10.574 3.218 1.00 0.77 PEP ATOM 46 HN GLU 3 4.351 9.647 3.139 1.00 0.83 PEP ATOM 47 CA GLU 3 4.074 11.530 2.143 1.00 0.78 PEP ATOM 48 HA GLU 3 4.702 12.335 2.480 1.00 0.88 PEP ATOM 49 CB GLU 3 4.684 10.868 0.932 1.00 0.74 PEP ATOM 50 HB1 GLU 3 4.092 10.004 0.646 1.00 0.73 PEP ATOM 51 HB2 GLU 3 4.669 11.558 0.089 1.00 0.82 PEP ATOM 52 CG GLU 3 6.115 10.435 1.220 1.00 0.91 PEP ATOM 53 HG1 GLU 3 6.134 9.445 1.669 1.00 1.30 PEP ATOM 54 HG2 GLU 3 6.666 10.389 0.306 1.00 1.26 PEP ATOM 55 CD GLU 3 6.811 11.423 2.161 1.00 1.64 PEP ATOM 56 OEI GLU 3 7.497 12.317 1.671 1.00 2.20 PEP ATOM 57 OE2 GLU 3 6.658 11.284 3.374 1.00 2.38 PEP ATOM 58 C GLU 3 2.683 12.066 1.850 1.00 0.76 PEP ATOM 59 O GLU 3 1.683 11.545 2.327 1.00 0.74 PEP ATOM 60 N THR 4 2.676 13.136 1.047 1.00 0.80 PEP ATOM 61 HN THR 4 3.522 13.511 0.673 1.00 0.86 PEP ATOM 62 CA THR 4 1.393 13.722 0.739 1.00 0.78 PEP ATOM 63 HA THR 4 0.670 13.269 1.432 1.00 0.75 PEP ATOM 64 CB THR 4 1.459 15.232 0.916 1.00 0.90 PEP ATOM 65 HB THR 4 0.752 15.698 0.241 1.00 1.28 PEP ATOM 66 OG1 THR 4 2.741 15.694 0.561 1.00 1.59 PEP ATOM 67 HG1 THR 4 2.614 16.446 -0.002 1.00 2.03 PEP ATOM 68 CG2 THR 4 1.145 15.651 2.353 1.00 1.71 PEP ATOM 69 HG21 THR 4 1.866 15.224 3.049 1.00 2.14 PEP ATOM 70 HG22 THR 4 0.151 15.313 2.647 1.00 2.33 PEP ATOM 71 HG23 THR 4 1.176 16.735 2.458 1.00 2.26 PEP ATOM 72 C THR 4 0.969 13.357 -0.668 1.00 0.72 PEP ATOM 73 O THR 4 1.550 13.759 -1.668 1.00 0.77 PEP 388 - ATOM 74 N LEU 5 -0.094 12.553 -0.635 1.00 0.65 PEP ATOM 75 HN LEU 5 -0.485 12.282 0.242 1.00 0.67 PEP ATOM 76 HA LEU 5 0.126 11.614 -2.443 1.00 0.63 PEP ATOM 77 CB LEU 5 -1.709 11.032 -1.462 1.00 0.59 PEP ATOM 78 HB1 LEU 5 -1.792 10.968 -0.376 1.00 0.64 PEP ATOM 79 HB2 LEU 5 -2.682 11.326 -1.842 1.00 0.68 PEP ATOM 80 CG LEU 5 -1.318 9.692 -2.026 1.00 0.46 PEP ATOM 81 HG LEU 5 -0.240 9.683 -2.166 1.00 0.52 PEP ATOM 82 CDl LEU 5 -1.705 8.560 -1.097 1.00 0.42 PEP ATOM 83 HD11 LEU 5 -2.721 8.227 -1.304 1.00 1.11 PEP ATOM 84 HD12 LEU 5 -1.037 7.710 -1.230 1.00 1.12 PEP ATOM 85 HD13 LEU 5 -1.654 8.878 -0.060 1.00 1.10 PEP ATOM 86 CD2 LEU 5 -1.988 9.514 -3.356 1.00 0.52 PEP ATOM 87 HD21 LEU 5 -2.029 10.457 -3.888 1.00 1.11 PEP ATOM 88 HD22 LEU 5 -1.451 8.810 -3.959 1.00 1.26 PEP ATOM 89 HD23 LEU 5 -3.002 9.149 -3.225 1.00 1.00 PEP ATOM 90 C LEU 5 -1.322 13.231 -2.604 1.00 0.72 PEP ATOM 91 O LEU 5 -2.536 13.382 -2.640 1.00 1.31 PEP ATOM 92 NCT LEU 5 -0.427 14.037 -3.203 1.00 1.13 PEP ATOM 93 HCT1 LEU 5 0.554 13.850 -3.136 1.00 1.72 PEP ATOM 94 HCT2 LEU 5 -0.727 14.836 -3.724 1.00 1.61 PEP ATOM 95 CA LEU 5 -0.675 12.071 -1.845 1.00 0.63 PEP ATOM 96 N GLY 1 -21.702 -18.923 0.217 1.00 11.53 ACSY ATOM 97 HT1 GLY 1 -21.532 -19.938 0.069 1.00 11.78 ACSY ATOM 98 HT2 GLY 1 -21.935 -18.753 1.216 1.00 11.73 ACSY ATOM 99 HT3 GLY 1 -22.495 -18.614 -0.381 1.00 11.61 ACSY ATOM 100 CA GLY 1 -20.504 -18.172 -0.138 1.00 11.06 ACSY ATOM 101 HA1 GLY 1 -20.709 -17.110 0.000 1.00 11.33 ACSY ATOM 102 HA2 GLY 1 -20.287 -18.347 -1.191 1.00 11.13 ACSY ATOM 103 C GLY 1 -19.296 -18.576 0.710 1.00 10.41 ACSY ATOM 104 O GLY 1 -18.259 -18.988 0.205 1.00 10.65 ACSY ATOM 105 N SER 2 -19.508 -18.427 2.030 1.00 9.79 ACSY ATOM 106 HN SER 2 -20.383 -18.084 2.371 1.00 9.80 ACSY ATOM 107 CA SER 2 -18.439 -18.776 2.950 1.00 9.36 ACSY ATOM 108 HA SER 2 -18.713 -18.382 3.932 1.00 9.73 ACSY ATOM 109 CB SER 2 -18.285 -20.294 2.997 1.00 9.43 ACSY ATOM 110 HB1 SER 2 -17.509 -20.584 3.707 1.00 9.49 ACSY ATOM 111 HB2 SER 2 -19.216 -20.770 3.304 1.00 9.38 ACSY ATOM 112 OG SER 2 -17.932 -20.796 1.734 1.00 9.82 ACSY - 389 ATOM 113 HG SER 2 17.058 -21.152 1.816 1.00 9.92 ACSY ATOM 114 C SER 2 17 .138 -18 .119 2 .492 1 .00 8 .68 ACSY ATOM 115 O SER 2 16 .353 -18 .690 1 .743 1 .00 8 .72 ACSY ATOM 116 N ARG 3 16 .966 -16 .884 2 .995 1 .00 8 .32 ACSY ATOM 117 HN ARG 3 17 .651 -16 .480 3 .602 1 .00 8 .52 ACSY ATOM 118 CA ARG 3 15 .762 -16 .148 2 .637 1 00 7 .90 ACSY ATOM 119 HA ARG 3 14 .911 -16 .807 2 .821 1 00 8 17 ACSY ATOM 120 CB ARG 3 15 .827 -15 .760 1 .166 1 00 8 52 ACSY ATOM 121 HB1 ARG 3 15 .054 -15 .025 0 .947 1 00 8 76 ACSY ATOM 122 HB2 ARG 3 15 616 -16 634 0 .549 1 00 8 65 ACSY ATOM 123 CG ARG 3 17 196 -15 193 0 797 1 00 9 04 ACSY ATOM 124 HG1 ARG 3 17 381 -14 282 1 366 1 00 9 17 ACSY ATOM 125 HG2 ARG 3 17 973 -15 903 1 079 1 00 9 09 ACSY ATOM 126 CD ARG 3 17 293 -14 895 -0 696 1 00 9 72 ACSY ATOM 127 HD1 ARG 3 18 320 -14 681 -0 993 1 00 9 94 ACSY ATOM 128 HD2 ARG 3 16 924 -15 723 -1 297 1 00 9 81 ACSY ATOM 129 NE ARG 3 16 493 -13 729 -1 032 1 00 10 34 ACSY ATOM 130 HE ARG 3 16 896 -12 814 -1 019 1 00 10 40 ACSY ATOM 131 CZ ARG 3 15 197 -13 899 -1 359 1 00 11 04 ACSY ATOM 132 NHI ARG 3 14 447 -12 843 -1 665 1 00 11 79 ACSY ATOM 133 HH11 ARG 3 14 846 -11 927 -1 652 1 00 11 84 ACSY ATOM 134 HH12 ARG 3 13 485 -12 967 -1 907 1 00 12 39 ACSY ATOM 135 NH2 ARG 3 14 663 -15 118 -1 378 1 00 11 17 ACSY ATOM 136 HH21 ARG 3 15 225 -15 913 -1 149 1 00 10 74 ACSY ATOM 137 HH22 ARG 3 13 701 -15 239 -1 621 1 00 11 80 ACSY ATOM 138 C ARG 3 15 624 -14 897 3 514 1 00 6 86 ACSY ATOM 139 O ARG 3 15 148 -13 857 3 076 1 00 6 84 ACSY ATOM 140 N ARG 4 16 064 -15 073 4 776 1 00 6 28 ACSY ATOM 141 HN ARG 4 16 437 -15 953 5 067 1 00 6 63 ACSY ATOM 142 CA ARG 4 15 985 -13 957 5 703 1 00 5 44 ACSY ATOM 143 HA ARG 4 16 530 -14 246 6 606 1 00 5 54 ACSY ATOM 144 CB ARG 4 14 520 -13 668 6 024 1 00 5 41 ACSY ATOM 145 HB1 ARG 4 14 059 -14 556 6 455 1 00 5 79 ACSY ATOM 146 HB2 ARG 4 13 980 -13 448 5 104 1 00 5 72 ACSY ATOM 147 CG ARG 4 14 380 -12 495 6 996 1 00 5 07 ACSY ATOM 148 HG1 ARG 4 14 567 -11 560 6 470 1 00 5 15 ACSY ATOM 149 HG2 ARG 4 15 138 -12 575 7 775 1 00 5 27 ACSY ATOM 150 CD ARG 4 12 993 -12 456 7 637 1 00 5 03 ACSY ATOM 151 HD1 ARG 4 12 207 -12 345 6 888 1 00 5 01 ACSY 390 ATOM 152 HD2 ARG 4 -12.794 -13.352 8.221 1.00 5.05 ACSY ATOM 153 NE ARG 4 -12.894 -11.325 8.543 1.00 5.65 ACSY ATOM 154 HE ARG 4 -13.490 -10.530 8.432 1.00 6.04 ACSY ATOM 155 CZ ARG 4 -11.987 -11.367 9.537 1.00 6.06 ACSY ATOM 156 NHI ARG 4 -11.882 -10.345 10.382 1.00 6.93 ACSY ATOM 157 HH11 ARG 4 -12.476 -9.547 10.277 1.00 7.26 ACSY ATOM 158 HH12 ARG 4 -11.209 -10.374 11.121 1.00 7.42 ACSY ATOM 159 NH2 ARG 4 -11.195 -12.428 9.677 1.00 5.95 ACSY ATOM 160 HH21 ARG 4 -11.273 -13.197 9.043 1.00 5.52 ACSY ATOM 161 HH22 ARG 4 -10.523 -12.456 10.417 1.00 6.51 ACSY ATOM 162 C ARG 4 -16.656 -12.730 5.086 1.00 5.05 ACSY ATOM 163 O ARG 4 -16.958 -12.683 3.900 1.00 5.27 ACSY ATOM 164 N ALA 5 -16.875 -11.746 5.977 1.00 4.86 ACSY ATOM 165 HN ALA 5 -16.613 -11.857 6.934 1.00 5.05 ACSY ATOM 166 CA ALA 5 -17.506 -10.521 5.519 1.00 4.79 ACSY ATOM 167 HA ALA 5 -18.191 -10.793 4.713 1.00 5.29 ACSY ATOM 168 CB ALA 5 -18.263 -9.875 6.678 1.00 5.32 ACSY ATOM 169 HB1 ALA 5 -18.761 -8.960 6.355 1.00 5.57 ACSY ATOM 170 HB2 ALA 5 -19.023 -10.550 7.071 1.00 5.59 ACSY ATOM 171 HB3 ALA 5 -17.585 -9.619 7.492 1.00 5.61 ACSY ATOM 172 C ALA 5 -16.439 -9.573 4.968 1.00 3.98 ACSY ATOM 173 O ALA 5 -16.103 -9.594 3.790 1.00 4.06 ACSY ATOM 174 N SER 6 -15.935 -8.743 5.899 1.00 3.66 ACSY ATOM 175 HN SER 6 -16.257 -8.782 6.844 1.00 4.09 ACSY ATOM 176 CA SER 6 -14.912 -7.790 5.500 1.00 3.17 ACSY ATOM 177 HA SER 6 -15.261 -7.303 4.586 1.00 3.31 ACSY ATOM 178 CB SER 6 -14.706 -6.768 6.615 1.00 3.61 ACSY ATOM 179 HB1 SER 6 -13.988 -6.005 6.314 1.00 3.90 ACSY ATOM 180 HB2 SER 6 -15.643 -6.268 6.863 1.00 3.95 ACSY ATOM 181 OG SER 6 -14.221 -7.391 7.777 1.00 4.03 ACSY ATOM 182 HG SER 6 -13.626 -6.778 8.187 1.00 4.34 ACSY ATOM 183 C SER 6 -13.610 -8.534 5.207 1.00 2.86 ACSY ATOM 184 O SER 6 -13.354 -9.618 5.717 1.00 3.29 ACSY ATOM 185 N VAL 7 -12.810 -7.873 4.350 1.00 2.60 ACSY ATOM 186 HN VAL 7 -13.088 -6.990 3.973 1.00 2.58 ACSY ATOM 187 CA VAL 7 -11.537 -8.470 3.983 1.00 2.97 ACSY ATOM 188 HA VAL 7 -11.748 -9.286 3.286 1.00 3.40 ACSY ATOM 189 CB VAL 7 -10.652 -7.413 3.328 1.00 3.63 ACSY ATOM 190 HB VAL 7 -11.128 -7.090 2.401 1.00 3.85 ACSY - 391 ATOM 191 CGI VAL 7 ■ 10.501 -6.199 4.243 1.00 3.87 ACSY ATOM 192 HGH VAL 7 ■ 10 .042 -6 .480 5 .191 1 .00 4 .23 ACSY ATOM 193 HG12 VAL 7 •11 .471 -5 .751 4 .459 1 .00 4 .18 ACSY ATOM 194 HG13 VAL 7 -9 .874 -5 .437 3 .779 1 .00 3 .99 ACSY ATOM 195 CG2 VAL 7 -9 .279 -8 .000 2 .997 1 .00 4 .53 ACSY ATOM 196 HG21 VAL 7 -8 .800 -8 .397 3 .892 1 .00 5 .05 ACSY ATOM 197 HG22 VAL 7 -9 .366 -8 .811 2 .273 1 .00 4 .84 ACSY ATOM 198 HG23 VAL 7 -8 .623 -7 .239 2 .573 1 .00 4 .79 ACSY ATOM 199 C VAL 7 ■ 10 .858 -9 .039 5 .229 1 .00 2 .97 ACSY ATOM 200 O VAL 7 ■ 10, .543 -8 .329 6 .176 1, .00 3 .56 ACSY ATOM 201 N GLY 8 ■ 10. .659 -10, .367 5 .157 1, .00 2 .78 ACSY ATOM 202 HN GLY 8 10, .943 -10, .882 4 .349 1, .00 2, .72 ACSY ATOM 203 CA GLY 8 10. .020 -11, .034 6 .274 1. .00 3, .21 ACSY ATOM 204 HA1 GLY 8 10, .329 -12, .080 6 .256 1, .00 3 .70 ACSY ATOM 205 HA2 GLY 8 10. .383 -10, .568 7 .190 1. .00 3 .50 ACSY ATOM 206 C GLY 8 -8. .498 -10. .921 6, .180 1. .00 3. .25 ACSY ATOM 207 O GLY 8 -7. .769 -11. .903 6. .258 1. .00 3. .70 ACSY ATOM 208 N SER 9 -8. .075 -9. .656 6. .006 1. .00 3. .25 ACSY ATOM 209 HN SER 9 -8. .730 -8. .902 5. .954 1. .00 3. .31 ACSY ATOM 210 CA SER 9 -6. .649 -9. .410 5. .899 1. .00 3. .63 ACSY ATOM 211 HA SER 9 -6. .521 -8. .404 5. .489 1. ,00 3. .96 ACSY ATOM 212 CB SER 9 -6. ,011 -9. ,518 7. .281 1. ,00 4. .53 ACSY ATOM 213 HB1 SER 9 -6. ,479 -8. .823 7. .977 1. ,00 4. .87 ACSY ATOM 214 HB2 SER 9 -4. .947 -9. .286 7. .238 1. ,00 4. .92 ACSY ATOM 215 OG SER 9 -6. .157 -10. .817 7. .794 1. ,00 5. .09 ACSY ATOM 216 HG SER 9 -6. .454 -10. .725 8. .689 1. .00 5. .60 ACSY ATOM 217 C SER 9 -6. ,030 -10. ,425 4. .941 1. 00 3. .30 ACSY ATOM 218 O SER 9 -5. ,335 -11. .352 5. .339 1. ,00 3. .79 ACSY ATOM 219 N HIS 10 -6. ,330 -10. .180 3. .653 1. ,00 3. .01 ACSY ATOM 220 HN HIS 10 -6. ,900 -9. .398 3. .403 1. ,00 3. .18 ACSY ATOM 221 CA HIS 10 -5. ,808 -11. .075 2. .636 1. ,00 3. .08 ACSY ATOM 222 HA HIS 10 -6. ,017 -12. .098 2. .963 1. ,00 3. .58 ACSY ATOM 223 CB HIS 10 -6. ,488 -10. ,781 1. .301 1. ,00 3. .80 ACSY ATOM 224 HB1 HIS 10 -6. .423 -9. .719 1. .065 1. ,00 4. .15 ACSY ATOM 225 HB2 HIS 10 -5. .999 -11. .329 0. .496 1. ,00 4. .03 ACSY ATOM 226 CG HIS 10 -7. .941 -11. .190 1. .371 1. .00 4. .47 ACSY ATOM 227 CD2 HIS 10 -8. .741 -11. .366 2. .516 1. .00 5, .19 ACSY ATOM 228 HD2 HIS 10 -8. .433 -11. .236 3. .542 1. .00 5. .38 ACSY ATOM 229 NDI HIS 10 -8. .700 -11. .451 0. .285 1. .00 4. .99 ACSY - 392 - ATOM 230 HD1 HIS 10 -8.417 -11.412 -0.653 1.00 5.01 ACSY ATOM 231 CEI HIS 10 -9.921 -11.776 0 .743 1 .00 5 .85 ACSY ATOM 232 HEI HIS 10 -10.757 -12.039 0 .111 1 .00 6 .59 ACSY ATOM 233 NE2 HIS 10 -9.970 -11.732 2 .086 1 .00 5 .97 ACSY ATOM 234 C HIS 10 -4.297 -10.887 2 .519 1 .00 2 .47 ACSY ATOM 235 O HIS 10 -3.798 -10.190 1 .644 1 .00 2 .49 ACSY ATOM 236 N GLU 11 -3.608 -11.560 3 .458 1 .00 2 .40 ACSY ATOM 237 HN GLU 11 -4.074 -12.116 4 .140 1 .00 2 .73 ACSY ATOM 238 CA GLU 11 -2.170 -11.475 3 .463 1 .00 2 .34 ACSY ATOM 239 HA GLU 11 -1.900 -10.433 3 .639 1 .00 2 .44 ACSY ATOM 240 CB GLU 11 -1.652 -12.378 4 .570 1 .00 2 .96 ACSY ATOM 241 HB1 GLU 11 -2.480 -12.680 5 .208 1 .00 3, .18 ACSY ATOM 242 HB2 GLU 11 -1.249 -13.287 4. .136 1. .00 3, .13 ACSY ATOM 243 CG GLU 11 -0.588 -11.678 5. .406 1 .00 3, .54 ACSY ATOM 244 HG1 GLU 11 0.236 -11.351 4, .775 1, .00 3, .67 ACSY ATOM 245 HG2 GLU 11 -1.007 -10.797 5, .892 1, .00 3, .72 ACSY ATOM 246 CD GLU 11 -0.052 -12.631 6, .476 1. .00 4. .24 ACSY ATOM 247 OEI GLU 11 -0.462 -12.509 7. .629 1. .00 4. .62 ACSY ATOM 248 OE2 GLU 11 0.770 -13.484 6. .144 1. .00 4. .74 ACSY ATOM 249 C GLU 11 -1.631 -11.926 2. .112 1. .00 2. .16 ACSY ATOM 250 O GLU 11 -0.885 -11.225 1. .439 1. ,00 2. .18 ACSY ATOM 251 N LYS 12 -2.068 -13.151 1. .778 1. ,00 2. .44 ACSY ATOM 252 HN LYS 12 -2.665 -13.656 2. .403 1. ,00 2. .76 ACSY ATOM 253 CA LYS 12 -1.651 -13.737 0. .511 1. ,00 2. .66 ACSY ATOM 254 HA LYS 12 -0.660 -14.174 0. ,665 1. ,00 3. ,12 ACSY ATOM 255 C3 LYS 12 -2.657 -14.809 0. 099 1. 00 3. ,44 ACSY ATOM 256 HB1 LYS 12 -3.618 -14.343 -0. ,118 1. 00 3. ,47 ACSY ATOM 257 HB2 LYS 12 -2.325 -15.289 -0. 822 1. 00 3. ,71 ACSY ATOM 258 CG LYS 12 -2.836 -15.863 1. 192 1. 00 4. ,37 ACSY ATOM 259 HG1 LYS 12 -1.928 -16.461 1. 277 1. 00 4. ,60 ACSY ATOM 260 HG2 LYS 12 -2.979 -15.371 2. 154 1. 00 4. ,75 ACSY ATOM 261 CD LYS 12 -4.028 -16.776 0. 902 1. 00 5. ,03 ACSY ATOM 262 HD1 LYS 12 -4.122 -17.517 1. 695 1. 00 5. ,34 ACSY ATOM 263 HD2 LYS 12 -4.947 -16.189 0. 909 1. 00 4. 95 ACSY ATOM 264 CE LYS 12 -3.880 -17.482 -0. 446 1. 00 5. 94 ACSY ATOM 265 HEI LYS 12 -3.757 -16.755 -1. 249 1. 00 6. 28 ACSY ATOM 266 HE2 LYS 12 -3.003 -18.129 -0. 447 1. 00 6. 22 ACSY ATOM 267 NZ LYS 12 -5.039 -18.306 -0. 770 1. 00 6. 49 ACSY ATOM 268 HZ1 LYS 12 -4.893 -18.761 -1. 694 1. 00 6. 68 ACSY 393 ATOM 269 HZ2 LYS 12 -5.161 -19.036 -0.039 1.00 6.91 ACSY ATOM 270 HZ3 LYS 12 -5.889 -17.708 -0.808 1.00 6.61 ACSY ATOM 271 C LYS 12 -1.559 -12.653 -0.563 1.00 2.13 ACSY ATOM 272 0 LYS 12 -2.557 -12.154 -1.057 1.00 2.63 ACSY ATOM 273 N MET 13 -0.285 -12.340 -0.873 1.00 1.83 ACSY ATOM 274 HN MET 13 0.468 -12.807 -0.411 1.00 2.22 ACSY ATOM 275 CA MET 13 -0.002 -11.321 -1.882 1.00 1.83 ACSY ATOM 276 HA MET 13 0.048 -11.826 -2.848 1.00 2.37 ACSY ATOM 277 CB MET 13 -1.083 -10.233 -1.879 1.00 2.34 ACSY ATOM 278 HB1 MET 13 -1.621 -10.253 -0.932 1.00 2.33 ACSY ATOM 279 HB2 MET 13 -0.604 -9.256 -1.940 1.00 2.63 ACSY ATOM 280 CG MET 13 -2.079 -10.379 -3.044 1.00 3.26 ACSY ATOM 281 HG1 MET 13 -2.825 -11.136 -2.820 1.00 3.64 ACSY ATOM 282 HG2 MET 13 -2.613 -9.441 -3.194 1.00 3.50 ACSY ATOM 283 SD MET 13 -1.252 -10.822 -4.580 1.00 4.25 ACSY ATOM 284 CE MET 13 -1.731 -12.557 -4.631 1.00 4.96 ACSY ATOM 285 HEI MET 13 -0.919 -13.162 -5.035 1.00 5.13 ACSY ATOM 286 HE2 MET 13 -2.610 -12.689 -5.261 1.00 5.43 ACSY ATOM 287 HE3 MET 13 -1.964 -12.914 -3.628 1.00 5.19 ACSY ATOM 288 C MET 13 1.366 -10.713 -1.555 1.00 1.57 ACSY ATOM 289 O MET 13 1.843 -10.785 -0.430 1.00 1.67 ACSY ATOM 290 N PRO 14 1.978 -10.111 -2.602 1.00 1.40 ACSY ATOM 291 CD PRO 14 1.417 -10.040 -3.937 1.00 1.46 ACSY ATOM 292 HD1 PRO 14 0.542 -9.391 -3.941 1.00 1.49 ACSY ATOM 293 HD2 PRO 14 1.120 -11.027 -4.274 1.00 1.69 ACSY ATOM 294 CA PRO 14 3.279 -9.483 -2.491 1.00 1.35 ACSY ATOM 295 HA PRO 14 3.942 -10.074 -1.865 1.00 1.54 ACSY ATOM 296 CB PRO 14 3.782 -9.370 -3.928 1.00 1.38 ACSY ATOM 297 HB1 PRO 14 4.298 -8.423 -4.086 1.00 1.44 ACSY ATOM 298 HB2 PRO 14 4.482 -10.175 -4.155 1.00 1.60 ACSY ATOM 299 CG PRO 14 2.535 -9.470 -4.817 1.00 1.40 ACSY ATOM 300 HG1 PRO 14 2.258 -8.490 -5.202 1.00 1.44 ACSY ATOM 301 HG2 PRO 14 2.720 -10.108 -5.663 1.00 1.60 ACSY ATOM 302 C PRO 14 3.148 -8.078 -1.937 1.00 1.26 ACSY ATOM 303 O PRO 14 3.558 -7.757 -0.831 1.00 1.41 ACSY ATOM 304 N TRP 15 2.515 -7.281 -2.805 1.00 1.17 ACSY ATOM 305 HN TRP 15 2.196 -7.649 -3.689 1.00 1.17 ACSY ATOM 306 CA TRP 15 2.298 -5.880 -2.458 1.00 1.26 ACSY ATOM 307 HA TRP 15 3.264 -5.479 -2.133 1.00 1.41 ACSY - 394 ATOM 308 CB TRP 15 1.788 -5.095 -3.682 1.00 1.44 ACSY ATOM 309 HB1 TRP 15 1.338 -4.163 -3.358 1.00 1.41 ACSY ATOM 310 HB2 TRP 15 2.617 -4.840 -4.338 1.00 1.60 ACSY ATOM 311 CG TRP 15 0.749 -5.891 -4.464 1.00 1.71 ACSY ATOM 312 CD2 TRP 15 0.397 -5.729 -5.840 1.00 2.23 ACSY ATOM 313 CE2 TRP 15 -0.624 -6.690 -6.124 1.00 2.46 ACSY ATOM 314 CE3 TRP 15 0.850 -4.872 -6.832 1.00 2.89 ACSY ATOM 315 HE3 TRP 15 1.621 -4.148 -6.614 1.00 2.88 ACSY ATOM 316 CDl TRP 15 -0.041 -6.920 -3.958 1.00 2.00 ACSY ATOM 317 HD1 TRP 15 0.019 -7.304 -2.955 1.00 2.35 ACSY ATOM 318 NEI TRP 15 -0.860 -7.395 -4.942 1.00 2.25 ACSY ATOM 319 HEI TRP 15 ■ 1.511 -8.119 -4.835 1.00 2.53 ACSY ATOM 320 CZ2 TRP 15 •1.175 -6.776 -7.396 1.00 3.15 ACSY ATOM 321 HZ2 TRP 15 ■1.946 -7.503 -7.606 1.00 3.33 ACSY ATOM 322 CZ3 TRP 15 0.294 -4.951 -8.134 1.00 3.75 ACSY ATOM 323 HZ3 TRP 15 0.643 -4.288 -8.912 1.00 4.43 ACSY ATOM 324 CH2 TRP 15 ■0.720 -5.904 -8.416 1.00 3.82 ACSY ATOM 325 HH2 TRP 15 •1.143 -5.965 -9.408 1.00 4.49 ACSY ATOM 326 C TRP 15 1.304 -5.744 -1.294 1.00 1.18 ACSY ATOM 327 O TRP 15 0.867 -4.651 -0.965 1.00 1.21 ACSY ATOM 328 N PHE 16 0.973 -6.903 -0.692 1.00 1.17 ACSY ATOM 329 HN PHE 16 1.327 -7.775 -1.019 1.00 1.22 ACSY ATOM 330 CA PHE 16 0.059 -6.845 0.428 1.00 1.18 ACSY ATOM 331 HA PHE 16 0.044 -5.809 0.779 1.00 1.12 ACSY ATOM 332 CB PHE 16 1.326 -7.277 -0.014 1.00 1.33 ACSY ATOM 333 HB1 PHE 16 1.600 -6.763 -0.930 1.00 1.39 ACSY ATOM 334 HB2 PHE 16 1.339 -8.347 -0.224 1.00 1.50 ACSY ATOM 335 CG PHE 16 2.330 -6.975 1.064 1.00 1.35 ACSY ATOM 336 CDl PHE 16 2.511 -7.882 2.139 1.00 1.69 ACSY ATOM 337 HD1 PHE 16 1.952 -8.802 2.163 1.00 2.35 ACSY ATOM 338 CD2 PHE 16 3.078 -5.770 1.044 1.00 1.93 ACSY ATOM 339 HD2 PHE 16 2.949 -5.068 0.233 1.00 2.63 ACSY ATOM 340 CEI PHE 16 3.421 -7.589 3.179 1.00 1.71 ACSY ATOM 341 HEI PHE 16 3.542 -8.282 4.000 1.00 2.35 ACSY ATOM 342 CE2 PHE 16 3.989 -5.481 2.087 1.00 1.99 ACSY ATOM 343 HE2 PHE 16 4.552 -4.562 2.072 1.00 2.73 ACSY ATOM 344 CZ PHE 16 4.160 -6.390 3.152 1.00 1.47 ACSY ATOM 345 HZ PHE 16 4.856 -6.167 3.947 1.00 1.53 ACSY ATOM 346 C PHE 16 0.548 -7.740 1.558 1.00 1.37 ACSY 395 ATOM 347 O PHE 16 0.132 -8.881 1.707 1.00 1.98 ACSY ATOM 348 N HIS 17 1 .463 -7 .147 2 .337 1 .00 1 .18 ACSY ATOM 349 HN HIS 17 1 .791 -6 .227 2 .135 1 .00 1 .30 ACSY ATOM 350 CA HIS 17 1 .977 -7 .883 3 .467 1 .00 1 .33 ACSY ATOM 351 HA HIS 17 1 .547 -8 .888 3 .425 1 .00 1 .64 ACSY ATOM 352 CB HIS 17 3 .491 -7 .940 3 .414 1 .00 1 .75 ACSY ATOM 353 HB1 HIS 17 3 .901 -7 .013 3 .013 1 .00 1 .78 ACSY ATOM 354 HB2 HIS 17 3 .887 -8 .073 4 .414 1 .00 2 .06 ACSY ATOM 355 CG HIS 17 3 .919 -9 .100 2 .548 1 .00 2 .50 ACSY ATOM 356 CD2 HIS 17 3 .426 -9 .460 1 .282 1 .00 3 .04 ACSY ATOM 357 HD2 HIS 17 2 .655 -8 .949 0 .723 1 .00 2 .88 ACSY ATOM 358 NDI HIS 17 4, .869 -9, .993 2, .899 1, .00 3. .11 ACSY ATOM 359 HD1 HIS 17 5, .391 -10, .000 3 .728 1, .00 3. .08 ACSY ATOM 360 CEI HIS 17 4 .957 -10, .872 1 .886 1, .00 3. .95 ACSY ATOM 361 HEI HIS 17 5, .634 -11, .713 1, .868 1. .00 4. .63 ACSY ATOM 362 NE2 HIS 17 4, .096 -10. .571 0, .897 1. .00 3. .96 ACSY ATOM 363 C HIS 17 1, .514 -7. .196 4, .746 1. .00 1. .30 ACSY ATOM 364 O HIS 17 1. .908 -6. .081 5, .067 1. .00 1. .46 ACSY ATOM 365 N GLY 18 0. .651 -7. .943 5. .443 1. ,00 1. .54 ACSY ATOM 366 HN GLY 18 0. .407 -8. .855 5. .127 1. ,00 1. .71 ACSY ATOM 367 CA GLY 18 0. .114 -7. .413 6. .682 1. .00 1. .88 ACSY ATOM 368 HA1 GLY 18 0. .900 -7. .799 6. .792 1. ,00 2. .11 ACSY ATOM 369 HA2 GLY 18 0. .077 -6. .328 6. .587 1. ,00 1. .95 ACSY ATOM 370 C GLY 18 0. .987 -7. .817 7. .877 1. ,00 2. .10 ACSY ATOM 371 O GLY 18 0. .506 -8. .052 8. .979 1. ,00 2. .46 ACSY ATOM 372 N LYS 19 2. .297 -7. .881 7. .575 1. 00 1. ,96 ACSY ATOM 373 HN LYS 19 2. .613 -7. ,677 6. .648 1. 00 1. .76 ACSY ATOM 374 CA LYS 19 3. .239 -8. ,257 8. .614 1. ,00 2. .25 ACSY ATOM 375 HA LYS 19 2. ,679 -8. ,337 9. ,549 1. 00 2. ,47 ACSY ATOM 376 CB LYS 19 3. .882 -9. ,592 8. ,246 1. 00 2. ,42 ACSY ATOM 377 HB1 LYS 19 3. .105 -10. ,332 8. .058 1. 00 2. ,52 ACSY ATOM 378 HB2 LYS 19 4. ,443 -9. 483 7. ,318 1. 00 2. ,47 ACSY ATOM 379 CG LYS 19 4. ,813 -10. .095 9. .350 1. 00 2. ,83 ACSY ATOM 380 HG1 LYS 19 5. .543 -9. .323 9. .593 1. 00 3. ,35 ACSY ATOM 381 HG2 LYS 19 4. .238 -10. .281 10. .257 1. ,00 3. .28 ACSY ATOM 382 CD LYS 19 5. .538 -11. .373 8. .929 1. 00 2. .77 ACSY ATOM 383 HD1 LYS 19 4. ,808 -12. ,149 8. .700 1. 00 ' 2. .91 ACSY ATOM 384 HD2 LYS 19 6. .099 -11. .190 8. .012 1. ,00 3. .00 ACSY ATOM 385 CE LYS 19 6. ,487 -11. ,868 10. .020 1. 00 3. .23 ACSY 396 ATOM 386 HEI LYS 19 7.245 -11.116 10.239 1.00 3.73 ACSY ATOM 387 HE2 LYS 19 5 .940 -12 .067 10 .942 1 .00 3 .52 ACSY ATOM 388 NZ LYS 19 7 .176 -13 .095 9 .640 1 .00 3 .46 ACSY ATOM 389 HZ1 LYS 19 7 .720 -12 .932 8 .769 1 .00 3 .67 ACSY ATOM 390 HZ2 LYS 19 6 .478 -13 .849 9 .476 1 .00 3 .66 ACSY ATOM 391 HZ3 LYS 19 7 .822 -13 .381 10 .403 1 .00 3 .79 ACSY ATOM 392 C LYS 19 4 .306 -7 .172 8 .755 1 .00 2 .17 ACSY ATOM 393 O LYS 19 4 .560 -6 .650 9 .834 1 .00 2 .83 ACSY ATOM 394 N ILE 20 4 .908 -6 .874 7 .589 1 .00 1 .56 ACSY ATOM 395 HN ILE 20 4 .644 -7 .343 6 .747 1 .00 1 .50 ACSY ATOM 396 CA ILE 20 5 .949 -5 .857 7 .578 1 .00 1 .44 ACSY ATOM 397 HA ILE 20 6 .849 -6 .312 7 .999 1 .00 1 .51 ACSY ATOM 398 CB ILE 20 6 .204 -5 .391 6 .146 1. .00 1 .24 ACSY ATOM 399 HB ILE 20 6 .595 -4 .374 6 .180 1 .00 1 .31 ACSY ATOM 400 CG2 ILE 20 7. .246 -6 .285 5 .477 1 .00 1 .23 ACSY ATOM 401 HG21 ILE 20 8, .154 -6 .339 6. .079 1 .00 1 .53 ACSY ATOM 402 HG22 ILE 20 6. .865 -7, .299 5. .352 1. .00 1. .60 ACSY ATOM 403 HG23 ILE 20 7. .516 -5, .901 4. .495 1. .00 1. .66 ACSY ATOM 404 CGI ILE 20 4. .901 -5. .391 5. .341 1. .00 1. .26 ACSY ATOM 405 HGH ILE 20 4. .514 -6. .407 5. .274 1. .00 1. .41 ACSY ATOM 406 HG12 ILE 20 4. .148 -4. .803 5. .865 1. .00 1. .71 ACSY ATOM 407 CDl ILE 20 5. .106 -4, .826 3. .935 1. .00 1. .07 ACSY ATOM 408 HD11 ILE 20 5. .308 -3. .756 3. .974 1. .00 1. .34 ACSY ATOM 409 HD12 ILE 20 5. .947 -5. .310 3. .439 1. .00 1. .53 ACSY ATOM 410 HD13 ILE 20 4. .219 -4. .979 3. ,321 1. .00 1. .29 ACSY ATOM 411 C ILE 20 5. .535 -4. .680 8. .456 1. ,00 1. .49 ACSY ATOM 412 O ILE 20 4. .379 -4. .521 8. .830 1. .00 1. .58 ACSY ATOM 413 N SER 21 6. ,567 -3. .873 8. .754 1. .00 1. .47 ACSY ATOM 414 HN ' SER 21 7. ,483 -4. .069 8. .405 1. .00 1. .41 ACSY ATOM 415 CA SER 21 6. ,325 -2. .711 9. .590 1. .00 1. .57 ACSY ATOM 416 HA SER 21 5. 490 -2. 945 10. 233 1. 00 1. ,67 ACSY ATOM 417 CB SER 21 7. 572 -2. 415 10. 418 1. 00 1. ,63 ACSY ATOM 418 HB1 SER 21 7. 829 -3. 265 11. 051 1. 00 1. ,95 ACSY ATOM 419 HB2 SER 21 8. 425 -2. 205 9. 774 1. 00 1. ,66 ACSY ATOM 420 OG SER 21 7. 364 -1. 299 11. 246 1. 00 2. ,23 ACSY ATOM 421 HG SER 21 8. 215 -0. 910 11. 397 1. 00 2. ,35 ACSY ATOM 422 C SER 21 5. 969 -1. 511 8. 719 1. 00 1. ,51 ACSY ATOM 423 O SER 21 4. 830 -1. 066 8. 637 1. 00 1. 58 ACSY ATOM 424 N ARG 22 7. 041 -1. 037 8. 086 1. 00 1. 44 ACSY 397 - ATOM 425 HN ARG 22 7.928 -1.480 8.213 1.00 1.46 ACSY ATOM 426 CA ARG 22 6 .929 0 .118 7 .212 1 .00 1 .40 ACSY ATOM 427 HA ARG 22 6 .228 -0 .136 6 .413 1 .00 1, .34 ACSY ATOM 428 CB ARG 22 6 .454 1 .329 8 .012 1, .00 1, .57 ACSY ATOM 429 HB1 ARG 22 5 .552 1 .070 8 .568 1, .00 1, .98 ACSY ATOM 430 HB2 ARG 22 7 .211 1 .597 8 .747 1, .00 1. .53 ACSY ATOM 431 CG ARG 22 6 .172 2, .525 7 .105 1. .00 1, .89 ACSY ATOM 432 HG1 ARG 22 6, .960 2, .609 6, .357 1. .00 2. .11 ACSY ATOM 433 HG2 ARG 22 5, .241 2, .360 6, .562 1. .00 2. .13 ACSY ATOM 434 CD ARG 22 6, .079 3, .830 7 .898 1. .00 2. .36 ACSY ATOM 435 HD1 ARG 22 5, .505 3, .705 8, .815 1. .00 2. .77 ACSY ATOM 436 HD2 ARG 22 5, .619 4, .623 7, .309 1. .00 2. .76 ACSY ATOM 437 NE ARG 22 7, .408 4, .298 8, .262 1. .00 2. .61 ACSY ATOM 438 HE ARG 22 7, .953 4, .826 7, .612 1. .00 2. .68 ACSY ATOM 439 CZ ARG 22 7, .899 4, .012 9, .487 1. .00 3. .36 ACSY ATOM 440 NHI ARG 22 9, .114 4. .436 9, .823 1. .00 3. .96 ACSY ATOM 441 HH11 ARG 22 9. .658 4. .964 9, .171 1. .00 3. .94 ACSY ATOM 442 HHl2 ARG 22 9. .484 4. .227 10. .729 1. .00 4. .64 ACSY ATOM 443 NH2 ARG 22 7. .180 3. .311 10. .359 1. .00 3. .92 ACSY ATOM 444 HH21 ARG 22 6. .266 2. .990 10. .110 1. ,00 3. .79 ACSY ATOM 445 HH22 ARG 22 7. .553 3. .104 11. .264 1. ,00 4. .68 ACSY ATOM 446 C ARG 22 8. .316 0. .372 6. .623 1. ,00 1. .31 ACSY ATOM 447 O ARG 22 8. .490 0. .687 5. .452 1. .00 1. .22 ACSY ATOM 448 N GLU 23 9. .283 0. .196 7. .543 1. ,00 1. .36 ACSY ATOM 449 HN GLU 23 9. .048 -0. .060 8. .479 1. ,00 1. .46 ACSY ATOM 450 CA GLU 23 10. .663 0. .345 7, .179 1. ,00 1. .31 ACSY ATOM 451 HA GLU 23 10. .745 1. .195 6. .502 1. ,00 1. .29 ACSY ATOM 452 CB GLU 23 11. .448 0. .560 8, .468 1. .00 1. .43 ACSY ATOM 453 HB1 GLU 23 12. .274 1. .226 8. .280 1. .00 1. .45 ACSY ATOM 454 HB2 GLU 23 10. .800 1. .042 9. .187 1. .00 1. .54 ACSY ATOM 455 CG GLU 23 11. .969 -0. .737 9. .080 1. .00 1. .43 ACSY ATOM 456 HG1 GLU 23 11. .142 -1. .361 9, .421 1. .00 1. .45 ACSY ATOM 457 HG2 GLU 23 12. .530 -1, .304 8, .349 1. .00 1. .33 ACSY ATOM 458 CD GLU 23 12, .877 -0, .422 10, .271 1. .00 1. .56 ACSY ATOM 459 OEI GLU 23 14, .004 -0, .913 10, .294 1. .00 1. .99 ACSY ATOM 460 OE2 GLU 23 12, .446 0, .310 11, .160 1. .00 1, .89 ACSY ATOM 461 C GLU 23 11, .103 -0, .934 6 .485 1. .00 1, .18 ACSY ATOM 462 O GLU 23 11 .758 -0 .940 5 .451 1, .00 1 .08 ACSY ATOM 463 N GLU 24 10 .675 -2 .009 7 .156 1. .00 1 .21 ACSY 398 ATOM 464 HN GLU 24 10.161 -1.880 8.019 1.00 1.31 ACSY ATOM 465 CA GLU 24 10.984 -3.332 6.657 1.00 1.15 ACSY ATOM 466 HA GLU 24 12.057 -3.491 6.800 1.00 1.16 ACSY ATOM 467 CB GLU 24 10.176 -4.351 7.450 1.00 1.26 ACSY ATOM 468 HB1 GLU 24 9.127 -4.292 7.161 1.00 1.25 ACSY ATOM 469 HB2 GLU 24 10.513 -5.354 7.207 1.00 1.24 ACSY ATOM 470 CG GLU 24 10.308 -4.113 8.954 1.00 1.44 ACSY ATOM 471 HG1 GLU 24 10.108 -3.069 9.197 1.00 1.79 ACSY ATOM 472 HG2 GLU 24 9.595 -4.725 9.506 1.00 1.59 ACSY ATOM 473 CD GLU 24 11.725 -4.465 9.413 1.00 1.80 ACSY ATOM 474 OEI GLU 24 11.986 -4.399 10.613 1.00 2.37 ACSY ATOM 475 OE2 GLU 24 12.549 -4.800 8.564 1.00 2.30 ACSY ATOM 476 C GLU 24 10.657 -3.423 5.163 1.00 0.99 ACSY ATOM 477 O GLU 24 11.391 -4.009 4.378 1.00 0.94 ACSY ATOM 478 N SER 25 9.516 -2.794 4.828 1.00 0.96 ACSY ATOM 479 HN SER 25 8.975 -2.319 5.521 1.00 1.04 ACSY ATOM 480 CA SER 25 9.086 -2.818 3.435 1.00 0.84 ACSY ATOM 481 HA SER 25 9.332 -3.806 3.039 1.00 0.83 ACSY ATOM 482 CB SER 25 7.581 -2.585 3.382 1.00 0.86 ACSY ATOM 483 HB1 SER 25 7.144 -3.083 2.519 1.00 1.16 ACSY ATOM 484 HB2 SER 25 7.098 -2.976 4.277 1.00 1.37 ACSY ATOM 485 OG SER 25 7.292 -1.213 3.290 1.00 1.53 ACSY ATOM 486 HG SER 25 6.367 -1.143 3.093 1.00 1.79 ACSY ATOM 487 C SER 25 9.826 -1.755 2.607 1.00 0.75 ACSY ATOM 488 O SER 25 9.979 -1.879 1.398 1.00 0.67 ACSY ATOM 489 N GLU 26 10.269 -0.710 3.331 1.00 0.83 ACSY ATOM 490 HN GLU 26 10.126 -0.668 4.312 1.00 0.92 ACSY ATOM 491 CA GLU 26 10.973 0.359 2.667 1.00 0.81 ACSY ATOM 492 HA GLU 26 10.449 0.553 1.728 1.00 0.73 ACSY ATOM 493 CB GLU 26 10.916 1.574 3.588 1.00 0.92 ACSY ATOM 494 HB1 GLU 26 10.192 2.279 3.205 1.00 0.91 ACSY ATOM 495 HB2 GLU 26 10.555 1.265 4.566 1.00 0.99 ACSY ATOM 496 CG GLU 26 12.275 2.244 3.747 1.00 0.99 ACSY ATOM 497 HG1 GLU 26 13.013 1.509 4.042 1.00 1.02 ACSY ATOM 498 HG2 GLU 26 12.602 2.689 2.808 1.00 0.96 ACSY ATOM 499 CD GLU 26 12.200 3.331 4.823 1.00 1.11 ACSY ATOM 500 OEI GLU 26 13.249 3.748 5.310 1.00 1.46 ACSY ATOM 501 OE2 GLU 26 11.092 3.745 5.163 1.00 1.59 ACSY ATOM 502 C GLU 26 12.418 -0.061 2.350 1.00 0.81 ACSY 399 ATOM 503 O GLU 26 13.065 0.487 1.465 1.00 0.80 ACSY ATOM 504 N GLN 27 12.875 -1.065 3.123 1.00 0.86 ACSY ATOM 505 HN GLN 27 12.277 -1.507 3.790 1.00 0.90 ACSY ATOM 506 CA GLN 27 14.219 -1.566 2.882 1.00 0.87 ACSY ATOM 507 HA GLN 27 14.835 -0.723 2.559 1.00 0.91 ACSY ATOM 508 CB GLN 27 14.790 -2.213 4.143 1.00 0.96 ACSY ATOM 509 HB1 GLN 27 15.731 -2.709 3.904 1.00 0.98 ACSY ATOM 510 HB2 GLN 27 15.021 -1.440 4.876 1.00 1.16 ACSY ATOM 511 CG GLN 27 13.821 -3.221 4.753 1.00 1.16 ACSY ATOM 512 HG1 GLN 27 12.932 -2.717 5.129 1.00 1.40 ACSY ATOM 513 HG2 GLN 27 13.503 -3.949 4.006 1.00 1.25 ACSY ATOM 514 CD GLN 27 14.498 -3.959 5.910 1.00 1.50 ACSY ATOM 515 OEI GLN 27 14.807 -5.142 5.831 1.00 1.87 ACSY ATOM 516 NE2 GLN 27 14.704 -3.176 6.983 1.00 2.20 ACSY ATOM 517 HE21 GLN 27 14.425 -2.215 6.976 1.00 2.69 ACSY ATOM 518 HE22 GLN 27 15.141 -3.541 7.806 1.00 2.54 ACSY ATOM 519 C GLN 27 14.113 -2.574 1.741 1.00 0.78 ACSY ATOM 520 O GLN 27 15.035 -2.796 0.970 1.00 0.79 ACSY ATOM 521 N ILE 28 12.907 -3.163 1.690 1.00 0.73 ACSY ATOM 522 HN ILE 28 12.196 -2.957 2.367 1.00 0.75 ACSY ATOM 523 CA ILE 28 12.636 -4.086 0.648 1.00 0.69 ACSY ATOM 524 HA ILE 28 13.465 -4.779 0.605 1.00 0.73 ACSY ATOM 525 CB ILE 28 11.323 -4.742 0.999 1.00 0.72 ACSY ATOM 526 HB ILE 28 10.679 -3.974 1.446 1.00 0.74 ACSY ATOM 527 CG2 ILE 28 10.654 -5.289 -0.242 1.00 0.76 ACSY ATOM 528 HG21 ILE 28 9.998 -4.544 -0.686 1.00 1.25 ACSY ATOM 529 HG22 ILE 28 11.397 -5.577 -0.983 1.00 1.29 ACSY ATOM 530 HG23 ILE 28 10.060 -6.167 0.002 1.00 1.25 ACSY ATOM 531 CGI ILE 28 11.527 -5.847 2.019 1.00 0.80 ACSY ATOM 532 HGH ILE 28 11.891 -6.741 1.517 1.00 0.84 ACSY ATOM 533 HG12 ILE 28 12.292 -5.547 2.732 1.00 0.83 ACSY ATOM 534 CDl ILE 28 10.227 -6.157 2.754 1.00 0.89 ACSY ATOM 535 HD11 ILE 28 9.367 -6.002 2.101 1.00 1.37 ACSY ATOM 536 HD12 ILE 28 10.211 -7.189 3.096 1.00 1.38 ACSY ATOM 537 HD13 ILE 28 10.107 -5.513 3.623 1.00 1.36 ACSY ATOM 538 C ILE 28 12.543 -3.320 -0.664 1.00 0.63 ACSY ATOM 539 O ILE 28 12.982 -3.763 -1.718 1.00 0.66 ACSY ATOM 540 N VAL 29 11.918 -2.146 -0.520 1.00 0.58 ACSY ATOM 541 HN VAL 29 11.536 -1.878 0.370 1.00 0.60 ACSY - 400 - ATOM 542 CA VAL 29 11.809 -1.280 -1.670 1.00 0.57 ACSY ATOM 543 HA VAL 29 11.361 -1.861 -2 .473 1.00 0 .58 ACSY ATOM 544 CB VAL 29 10.981 -0.052 -1 .273 1.00 0 .55 ACSY ATOM 545 HB VAL 29 11.060 0.060 -0 .190 1.00 0 .57 ACSY ATOM 546 CGI VAL 29 11.526 1.224 -1 .915 1.00 0 .66 ACSY ATOM 547 HGH VAL 29 12.578 1.367 -1 .670 1.00 1 .22 ACSY ATOM 548 HG12 VAL 29 11.435 1.184 -3 .001 1.00 1 .36 ACSY ATOM 549 HG13 VAL 29 10.983 2.094 -1 .559 1.00 1 .09 ACSY ATOM 550 CG2 VAL 29 9.507 -0.234 -1 .635 1.00 0 .54 ACSY ATOM 551 HG21 VAL 29 9.396 -0.564 -2 .668 1.00 1 .13 ACSY ATOM 552 HG22 VAL 29 9.035 -0.972 -0 .988 1.00 1 .22 ACSY ATOM 553 HG23 VAL 29 8.962 0.704 -1 .523 1.00 0 .99 ACSY ATOM 554 C VAL 29 13.206 -0.864 -2 .106 1.00 0 .67 ACSY ATOM 555 O VAL 29 13.469 -0.587 -3 .269 1.00 0, .73 ACSY ATOM 556 N LEU 30 14.075 -0.834 -1 .093 1.00 0, .72 ACSY ATOM 557 HN LEU 30 13.817 -1.124 -0 .169 1.00 0, .70 ACSY ATOM 558 CA LEU 30 15.421 -0.478 -1 .362 1.00 0, .84 ACSY ATOM 559 HA LEU 30 15.423 0.538 -1. .771 1.00 0. .88 ACSY ATOM 560 CB LEU 30 16.145 -0.569 -0, .025 1.00 0. .90 ACSY ATOM 561 HB1 LEU 30 16.657 0.357 0, .175 1.00 1. .00 ACSY ATOM 562 HB2 LEU 30 15.407 -0.688 0, .757 1.00 0. .86 ACSY ATOM 563 CG LEU 30 17.108 -1.741 0. .048 1.00 0. .94 ACSY ATOM 564 HG LEU 30 16.646 -2.586 -0. .437 1.00 0. .87 ACSY ATOM 565 CDl LEU 30 18.413 -1.409 -0. .653 1.00 1. .06 ACSY ATOM 566 HD11 LEU 30 19.102 -2.251 -0. .606 1.00 1. ,65 ACSY ATOM 567 HD12 LEU 30 18.240 -1.168 -1. ,699 1.00 1. ,39 ACSY ATOM 568 HD13 LEU 30 18.894 -0.551 -0. ,182 1.00 1. 42 ACSY ATOM 569 CD2 LEU 30 17.369 -2.128 1. 488 1.00 1. 00 ACSY ATOM 570 HD21 LEU 30 17.485 -3.209 1. 573 1.00 1. 36 ACSY ATOM 571 HD22 LEU 30 18.273 -1.656 1. 856 1.00 1. 42 ACSY ATOM 572 HD23 LEU 30 16.538 -1.826 2. 122 1.00 1. 42 ACSY ATOM 573 C LEU 30 15.967 -1.468 -2. 387 1.00 0. 86 ACSY ATOM 574 O LEU 30 16.749 -1.139 -3. 271 1.00 0. 96 ACSY ATOM 575 N ILE 31 15.479 -2.709 -2. 188 1.00 0. 79 ACSY ATOM 576 HN ILE 31 14.863 -2.897 -1. 411 1.00 0. 74 ACSY ATOM 577 CA ILE 31 15.885 -3.766 -3. 057 1.00 0. 85 ACSY ATOM 578 HA ILE 31 16.980 -3.793 -3. 064 1.00 0. 91 ACSY ATOM 579 CB ILE 31 15.294 -5.098 -2. 599 1.00 0. 83 ACSY ATOM 580 HB ILE 31 14.366 -5.267 -3. 138 1.00 0. 82 ACSY - 401 ATOM 581 CG2 ILE 31 16.223 -6.208 -2.978 1.00 0.92 ACSY ATOM 582 HG21 ILE 31 16.406 -6.191 -4.052 1.00 1.28 ACSY ATOM 583 HG22 ILE 31 17.173 -6.098 -2.465 1.00 1.41 ACSY ATOM 584 HG23 ILE 31 15.792 -7.168 -2.718 1.00 1.39 ACSY ATOM 585 CGI ILE 31 14.972 -5.149 -1.116 1.00 0.78 ACSY ATOM 586 HGH ILE 31 14.811 -4.156 -0.725 1.00 0.75 ACSY ATOM 587 HG12 ILE 31 14.028 -5.671 -1.003 1.00 0.77 ACSY ATOM 588 CDl ILE 31 16.065 -5.856 -0.312 1.00 0.85 ACSY ATOM 589 HD11 ILE 31 16.217 -6.873 -0.675 1.00 1.28 ACSY ATOM 590 HD12 ILE 31 17.013 -5.324 -0.393 1.00 1.27 ACSY ATOM 591 HD13 ILE 31 15.797 -5.912 0.743 1.00 1.42 ACSY ATOM 592 C ILE 31 15.353 -3.501 -4.439 1.00 0.88 ACSY ATOM 593 0 ILE 31 16.071 -3.241 -5.396 1.00 0.98 ACSY ATOM 594 N GLY 32 14.020 -3.598 -4.448 1.00 0.83 ACSY ATOM 595 HN GLY 32 13.520 -3.793 -3.580 1.00 0.77 ACSY ATOM 596 CA GLY 32 13.328 -3.443 -5.701 1.00 0.89 ACSY ATOM 597 HA1 GLY 32 12.611 -4.259 -5.764 1.00 0.91 ACSY ATOM 598 HA2 GLY 32 14.070 -3.566 -6.486 1.00 0.97 ACSY ATOM 599 C GLY 32 12.628 -2.089 -5.833 1.00 0.92 ACSY ATOM 600 O GLY 32 12.104 -1.537 -4.876 1.00 1.40 ACSY ATOM 601 N SER 33 12.672 -1.624 -7.104 1.00 0.97 ACSY ATOM 602 HN SER 33 13.132 -2.162 -7.810 1.00 1.35 ACSY ATOM 603 CA SER 33 12.054 -0.346 -7.460 1.00 0.96 ACSY ATOM 604 HA SER 33 11.133 -0.582 -7.989 1.00 0.99 ACSY ATOM 605 CB SER 33 11.750 0.491 -6.214 1.00 0.90 ACSY ATOM 606 HB1 SER 33 10.952 0.035 -5.627 1.00 1.26 ACSY ATOM 607 HB2 SER 33 12.629 0.580 -5.578 1.00 1.21 ACSY ATOM 608 OG SER 33 11.329 1.783 -6.570 1.00 1.66 ACSY ATOM 609 HG SER 33 11.623 2.365 -5.881 1.00 1.90 ACSY ATOM 610 C SER 33 12.984 0.384 -8.436 1.00 1.11 ACSY ATOM 611 O SER 33 13.387 -0.169 -9.452 1.00 1.60 ACSY ATOM 612 N LYS 34 13.294 1.649 -8.076 1.00 1.03 ACSY ATOM 613 HN LYS 34 12.926 2.046 -7.236 1.00 1.20 ACSY ATOM 614 CA LYS 34 14.178 2.419 -8.940 1.00 1.14 ACSY ATOM 615 HA LYS 34 14.631 3.213 -8.341 1.00 1.17 ACSY ATOM 616 CB LYS 34 15.231 1.487 -9.523 1.00 1.27 ACSY ATOM 617 HB1 LYS 34 15.416 0.670 -8.836 1.00 1.39 ACSY ATOM 618 HB2 LYS 34 14.848 1.039 -10.443 1.00 1.59 ACSY ATOM 619 CG LYS 34 16.526 2.227 -9.830 1.00 1.56 ACSY 402 ATOM 620 HG1 LYS 34 16.882 1.932 -10.816 1.00 1.98 ACSY ATOM 621 HG2- YS 34 16 .327 3 .297 -9 .873 1 .00 2 .07 ACSY ATOM 622 CD LYS 34 17 .604 1 .940 -8 .785 1 .00 1 .57 ACSY ATOM 623 HD1 LYS 34 18 .466 2 .583 -8 .965 1 .00 2 .08 ACSY ATOM 624 HD2 LYS 34 17 .229 2 .189 -7 .793 1 .00 1 .79 ACSY ATOM 625 CE LYS 34 18 .042 0 .476 -8 .819 1 .00 1 .98 ACSY ATOM 626 HEI LYS 34 17 .222 -0 .176 -8 .516 1 .00 2 .46 ACSY ATOM 627 HE2 LYS 34 18 .340 0 .189 -9 .827 1 .00 2 .35 ACSY ATOM 628 NZ LYS 34 19 .169 0 .213 -7 .932 1 .00 2 .48 ACSY ATOM 629 HZ1 LYS 34 18 .904 0 .450 -6 .955 1 .00 2 .82 ACSY ATOM 630 HZ2 LYS 34 19 .427 -0 .793 -7 .988 1 .00 2 .83 ACSY ATOM 631 HZ3 LYS 34 19 .980 0 .796 -8 .223 1 .00 2 .84 ACSY ATOM 632 C LYS 34 13, .392 3 .022 -10 .090 1. .00 1 .20 ACSY ATOM 633 O LYS 34 13, .360 4 .225 -10 .315 1, .00 1, .30 ACSY ATOM 634 N THR 35 12, .770 2, .071 -10, .791 1, .00 1, .22 ACSY ATOM 635 HN THR 35 12 .840 1 .119 -10 .507 1, .00 1, .19 ACSY ATOM 636 CA THR 35 11, .996 2 .414 -11, .968 1, .00 1. .35 ACSY ATOM 637 HA THR 35 12. .674 2 .903 -12, .659 1. .00 1. .51 ACSY ATOM 638 CB THR 35 11. .463 1. .118 -12. .553 1. .00 1. .47 ACSY ATOM 639 HB THR 35 10. .411 1. .028 -12. .316 1. .00 1. .54 ACSY ATOM 640 OG1 THR 35 12. .112 0, .017 -11. .959 1. .00 1. .54 ACSY ATOM 641 HG1 THR 35 11. .493 -0, .372 -11. .356 1. .00 1. .78 ACSY ATOM 642 CG2 THR 35 11. .664 1. .065 -14. .055 1. .00 1. .88 ACSY ATOM 643 HG21 THR 35 12. .725 1. .122 -14. .301 1. .00 2. .17 ACSY ATOM 644 HG22 THR 35 11. .270 0. .138 -14. .465 1. ,00 2. .18 ACSY ATOM 645 HG23 THR 35 11. .159 1. .897 -14. .541 1. ,00 2. .38 ACSY ATOM 646 C THR 35 10. .838 3. .371 -11. .673 1. .00 1. .26 ACSY ATOM 647 O THR 35 10. .049 3. .716 -12. .545 1. .00 1. .40 ACSY ATOM 648 N ASN 36 10. .791 3. .768 -10. .408 1. ,00 1. .13 ACSY ATOM 649 HN ASN 36 11. ,467 3. .432 -9. .765 1. ,00 1. .11 ACSY ATOM 650 CA ASN 36 9. ,743 4. ,682 -10. .001 1. 00 1. .11 ACSY ATOM 651 HA ASN 36 9. ,774 4. .746 -8. .912 1. ,00 1. .03 ACSY ATOM 652 CB ASN 36 9. ,982 6. .051 -10. .639 1. ,00 1. .32 ACSY ATOM 653 HB1 ASN 36 10. ,927 6. .472 -10. .296 1. ,00 1. .36 ACSY ATOM 654 HB2 ASN 36 10. ,037 5. .961 -11. .724 1. 00 1. .46 ACSY ATOM 655 CG ASN 36 8. 849 7. ,021 -10. ,280 1. 00 1. .40 ACSY ATOM 656 ODI ASN 36 8. 578 7. ,982 -10. ,989 1. 00 1. ,87 ACSY ATOM 657 ND2 ASN 36 8. 214 6. ,704 -9. ,135 1. 00 1. ,73 ACSY ATOM 658 HD21 ASN 36 8. 489 5. ,903 -8. ,604 1. 00 2. ,24 ACSY 403 ATOM 659 HD22 ASN 36 7.458 7.265 -8.799 1.00 1.89 ACSY ATOM 660 C ASN 36 8 .395 4 .111 -10 .421 1 .00 1 .10 ACSY ATOM 661 O ASN 36 7 .967 4 .217 -11 .564 1, .00 1 .56 ACSY ATOM 662 N GLY 37 7 .767 3 .500 -9 .408 1 .00 0 .86 ACSY ATOM 663 HN GLY 37 8 .185 3 .468 -8 .500 1 .00 1 .02 ACSY ATOM 664 CA GLY 37 6 .471 2 .894 -9 .647 1 .00 0 .82 ACSY ATOM 665 HA1 GLY 37 6, .414 2 .630 -10 .702 1. .00 0 .97 ACSY ATOM 666 HA2 GLY 37 5, .713 3 .645 -9 .425 1, .00 0 .91 ACSY ATOM 667 C GLY 37 6, .256 1 .646 -8 .779 1. .00 0, .74 ACSY ATOM 668 O GLY 37 5, .163 1 .097 -8 .720 1. .00 0 .76 ACSY ATOM 669 N LYS 38 7, .357 1, .229 -8 .112 1. .00 0, .69 ACSY ATOM 670 HN LYS 38 8. .230 1 .727 -8 .173 1. .00 0 .73 ACSY ATOM 671 CA LYS 38 7, .224 0 .062 -7 .272 1. .00 0, .63 ACSY ATOM 672 HA LYS 38 6. .650 -0, .681 -7, .836 1. .00 0. .66 ACSY ATOM 673 CB LYS 38 8. .600 -0, .465 -6, .891 1. .00 0, .64 ACSY ATOM 674 HB1 LYS 38 9. .286 -0, .306 -7, .717 1. ,00 0. .72 ACSY ATOM 675 HB2 LYS 38 8. .978 0. .107 -6, .049 1. ,00 0. .62 ACSY ATOM 676 CG LYS 38 8. .571 -1, .950 -6, .521 1. .00 0, .65 ACSY ATOM 677 HG1 LYS 38 9. .029 -2. .087 -5, .542 1. .00 0. .85 ACSY ATOM 678 HG2 LYS 38 7. .540 -2, .286 -6, .434 1. ,00 0, .96 ACSY ATOM 679 CD LYS 38 9. .309 -2. .806 -7, .551 1. ,00 1. .12 ACSY ATOM 680 HD1 LYS 38 8. .686 -2. .936 -8. .433 1. ,00 1. .85 ACSY ATOM 681 HD2 LYS 38 10. .210 -2. .291 -7, .877 1. ,00 1. .68 ACSY ATOM 682 CE LYS 38 9. .685 -4. .175 -6. .983 1. ,00 1. .08 ACSY ATOM 683 HEI LYS 38 10. .256 -4. .063 -6, .061 1. ,00 1. .37 ACSY ATOM 684 HE2 LYS 38 8. .792 -4, .752 -6, .751 1. .00 1. .51 ACSY ATOM 685 NZ LYS 38 10. .491 -4, .959 -7, .911 1. .00 1, .82 ACSY ATOM 686 HZ1 LYS 38 9. .949 -5. .130 -8. .782 1. .00 2. .15 ACSY ATOM 687 HZ2 LYS 38 11. .362 -4. .439 -8. .141 1. ,00 2. .24 ACSY ATOM 688 HZ3 LYS 38 10. .737 -5. .869 -7. .471 1. ,00 2. .41 ACSY ATOM 689 C LYS 38 6. .450 0. .467 -6. .036 1. ,00 0. .53 ACSY ATOM 690 O LYS 38 6. .551 1. .586 -5. .548 1. ,00 0. .51 ACSY ATOM 691 N PHE 39 5. .675 -0. .506 -5, .563 1. ,00 0, .49 ACSY ATOM 692 HN PHE 39 5. .671 -1. .410 -6. .000 1. ,00 0, .53 ACSY ATOM 693 CA PHE 39 4. ,872 -0. .202 -4, .389 1. ,00 0, .42 ACSY ATOM 694 HA PHE 39 5. .507 0. .383 -3. .710 1. ,00 0, .38 ACSY ATOM 695 CB PHE 39 3. .655 0, .623 -4, .820 1. .00 0, .44 ACSY ATOM 696 HB1 PHE 39 3. .227 1. .128 -3, .956 1. .00 0, .64 ACSY ATOM 697 HB2 PHE 39 3. .952 1, .391 -5. .533 1. .00 0 .54 ACSY 404 - ATOM 698 CG PHE 39 2.587 -0.237 -5.437 1.00 0.48 ACSY ATOM 699 CDl PHE 39 1.456 -0.603 -4.673 1.00 0.50 ACSY ATOM 700 HD1 PHE 39 1.369 -0.265 -3.652 1.00 0.48 ACSY ATOM 701 CD2 PHE 39 2.698 -0.689 -6.774 1.00 0.55 ACSY ATOM 702 HD2 PHE 39 3.559 -0.414 -7.365 1.00 0.57 ACSY ATOM 703 CEI PHE 39 0.444 -1.410 -5.233 1.00 0.57 ACSY ATOM 704 HEI PHE 39 -0.418 -1.677 -4.643 1.00 0.61 ACSY ATOM 705 CE2 PHE 39 1.685 -1.499 -7.337 1.00 0.61 ACSY ATOM 706 HE2 PHE 39 1.773 -1.842 -8.357 1.00 0.67 ACSY ATOM 707 CZ PHE 39 0.558 -1.858 -6.566 1.00 0.62 ACSY ATOM 708 HZ PHE 39 -0.217 -2.477 -6.996 1.00 0.69 ACSY ATOM 709 C PHE 39 4.407 -1.469 -3.673 1.00 0.42 ACSY ATOM 710 O PHE 39 4.351 -2.552 -4.232 1.00 0.52 ACSY ATOM 711 N LEU 40 4.039 -1.224 -2.406 1.00 0.42 ACSY ATOM 712 HN LEU 40 4.138 -0.306 -2.021 1.00 0.45 ACSY ATOM 713 CA LEU 40 3.524 -2.311 -1.595 1.00 0.49 ACSY ATOM 714 HA LEU 40 2.895 -2.930 -2.240 1.00 0.56 ACSY ATOM 715 CB LEU 40 4.673 -3.120 -1.014 1.00 0.52 ACSY ATOM 716 HB1 LEU 40 4.298 -4.060 -0.618 1.00 0.67 ACSY ATOM 717 HB2 LEU 40 5.372 -3.376 -1.801 1.00 0.70 ACSY ATOM 718 CG LEU 40 5.388 -2.340 0.087 1.00 0.48 ACSY ATOM 719 HG LEU 40 5.379 -1.282 -0.181 1.00 0.45 ACSY ATOM 720 CDl LEU 40 4.660 -2.505 1.422 1.00 0.58 ACSY ATOM 721 HD11 LEU 40 5.225 -3.148 2.094 1.00 1.04 ACSY ATOM 722 HD12 LEU 40 4.523 -1.541 1.912 1.00 1.23 ACSY ATOM 723 HD13 LEU 40 3.678 -2.954 1.278 1.00 1.20 ACSY ATOM 724 CD2 LEU 40 6.839 -2.800 0.211 1.00 0.52 ACSY ATOM 725 HD21 LEU 40 7.312 -2.860 -0.767 1.00 1.19 ACSY ATOM 726 HD22 LEU 40 7.415 -2.105 0.821 1.00 1.08 ACSY ATOM 727 HD23 LEU 40 6.896 -3.784 0.674 1.00 1.14 ACSY ATOM 728 C LEU 40 2.671 -1.720 -0.476 1.00 0.52 ACSY ATOM 729 O LEU 40 3.115 -0.883 0.300 1.00 0.53 ACSY ATOM 730 N ILE 41 1.422 -2.208 -0.448 1.00 0.64 ACSY ATOM 731 HN ILE 41 1.124 -2.889 -1.117 1.00 0.74 ACSY ATOM 732 CA ILE 41 0.516 -1.724 0.576 1.00 0.70 ACSY ATOM 733 HA ILE 41 0.826 -0.707 0.829 1.00 0.67 ACSY ATOM 734 CB ILE 41 -0.911 -1.738 0.042 1.00 0.80 ACSY ATOM 735 HB ILE 41 -0.977 -1.034 -0.788 1.00 0.83 ACSY ATOM 736 CG2 ILE 41 -1.278 -3.128 -0.472 1.00 0.90 ACSY - 405 ATOM 737 HG21 ILE 41 • 0.995 -3.896 0.249 1.00 1.49 ACSY ATOM 738 HG22 ILE 41 ■ 2 .350 -3 .208 -0 .646 1 .00 1 .13 ACSY ATOM 739 HG23 ILE 41 •0 .768 -3 .341 -1 .410 1 .00 1 .37 ACSY ATOM 740 CGI ILE 41 •1 .891 -1 .304 1 .131 1 .00 0 .86 ACSY ATOM 741 HGH ILE 41 ■ 2 .902 -1 .319 0 .733 1 .00 1 .11 ACSY ATOM 742 HG12 ILE 41 ■ 1 .866 -2 .020 1 .954 1, .00 1 .31 ACSY ATOM 743 CDl ILE 41 ■ 1. .568 0 .096 1 .653 1, .00 1 .08 ACSY ATOM 744 HD11 ILE 41 0. .538 0 .152 2, .002 1, .00 1, .64 ACSY ATOM 745 HD12 ILE 41 ■ 1 .699 0. .842 0 .870 1, .00 1 .56 ACSY ATOM 746 HD13 ILE 41 ■ 2, .220 0 .361 2, .484 1, .00 1, .42 ACSY ATOM 747 C ILE 41 0, .639 -2, .607 1, .817 1, .00 0 .78 ACSY ATOM 748 0 ILE 41 0, .994 -3, .777 1, .748 1. .00 0. .85 ACSY ATOM 749 N ARG 42 0, .322 -1, .960 2, .951 1. .00 0, .80 ACSY ATOM 750 HN ARG 42 0, .033 -1, .004 2, .926 1. .00 0, .76 ACSY ATOM 751 CA ARG 42 0, .399 -2, .679 4, .210 1. .00 0, .91 ACSY ATOM 752 HA ARG 42 0, .520 -3, .740 3, .974 1. .00 0, .94 ACSY ATOM 753 CB ARG 42 1. .587 -2. .161 5. .019 1. .00 1. .00 ACSY ATOM 754 HB1 ARG 42 2. .518 -2. .477 4. .547 1. .00 1. .43 ACSY ATOM 755 HB2 ARG 42 1. .585 -1. .071 5. .013 1. .00 1. .42 ACSY ATOM 756 CG ARG 42 1. .545 -2. .666 6. .462 1. ,00 1. .50 ACSY ATOM 757 HG1 ARG 42 0. .576 -2. .430 6. .902 1. .00 2. .14 ACSY ATOM 758 HG2 ARG 42 1. .639 -3. .752 6. .473 1. .00 2. .02 ACSY ATOM 759 CD ARG 42 2. .656 -2. .045 7. .308 1. .00 1. .83 ACSY ATOM 760 HD1 ARG 42 2. .625 -0. .955 7. .276 1. .00 2. .28 ACSY ATOM 761 HD2 ARG 42 3. .642 -2. .375 6. .986 1. ,00 2. .31 ACSY ATOM 762 NE ARG 42 2. .509 -2. .442 8. .697 1. .00 2. .09 ACSY ATOM 763 HE ARG 42 3. .147 -3. .091 9. .113 1. .00 2. .61 ACSY ATOM 764 CZ ARG 42 1. .494 -1. .924 9. .413 1. .oo ' 2. .42 ACSY ATOM 765 NHI ARG 42 1. .330 -2. .277 10. .684 1. .00 3, .12 ACSY ATOM 766 HH11 ARG 42 1. .960 -2. .927 11. .108 1. .00 3, .45 ACSY ATOM 767 HH12 ARG 42 0. .575 -1. .892 11. .216 1. .00 3. .59 ACSY ATOM 768 NH2 ARG 42 0. .655 -1. .058 8. .850 1. ,00 2. .75 ACSY ATOM 769 HH21 ARG 42 0. .779 -0. .791 7. .894 1. .00 2. .71 ACSY ATOM 770 HH22 ARG 42 0. .099 -0. .674 9. .382 1. ,00 3. .42 ACSY ATOM 771 C ARG 42 0. .901 -2. .482 4. .987 1. ,00 0. .99 ACSY ATOM 772 O ARG 42 1. .425 -1. .380 5. .100 1. .00 0, .97 ACSY ATOM 773 N ALA 43 1. .381 -3. .624 5. .509 1. .00 1, .16 ACSY ATOM 774 HN ALA 43 0. .899 -4. .490 5. .373 1. .00 1, .23 ACSY ATOM 775 CA ALA 43 2. .614 -3, .571 6. .274 1. .00 1, .30 ACSY - 406 - ATOM 776 HA ALA 43 -2.573 -2.672 6.895 1.00 1.24 ACSY ATOM 777 CB ALA 43 -3.804 -3 .518 5 .318 1 .00 1 .53 ACSY ATOM 778 HB1 ALA 43 -3.818 -4 .391 4 .666 1 .00 2 .07 ACSY ATOM 779 HB2 ALA 43 -4.744 -3 .493 5 .869 1 .00 1 .83 ACSY ATOM 780 HB3 ALA 43 -3.758 -2 .628 4 .689 1 .00 1 .84 ACSY ATOM 781 C ALA 43 -2.708 -4 .799 7 .179 1 .00 1 .63 ACSY ATOM 782 O ALA 43 -2.897 -5 .922 6 .729 1 .00 2 .22 ACSY ATOM 783 N ARG 44 -2.562 -4 .502 8 .483 1 .00 1 .75 ACSY ATOM 784 HN ARG 44 -2.409 -3 .559 8 .777 1 .00 1 .96 ACSY ATOM 785 CA ARG 44 -2.633 -5 .581 9 .453 1. .00 2, .10 ACSY ATOM 786 HA ARG 44 -2.194 -6 .468 8 .987 1X . .00 2, .37 ACSY ATOM 787 CB ARG 44 -1.859 -5 .188 10 .710 1. .00 2, .62 ACSY ATOM 788 HB1 ARG 44 -2.249 -4 .248 11, .101 1, .00 2, .91 ACSY ATOM 789 HB2 ARG 44 -2.013 -5, .939 11, .484 1. .00 3, .07 ACSY ATOM 790 CG ARG 44 -0.363 -5 .046 10 .433 1, .00 3, .13 ACSY ATOM 791 HG1 ARG 44 0.004 -5, .946 9, .939 1. .00 3. .33 ACSY ATOM 792 HG2 ARG 44 -0.192 -4, .217 9, .746 1. .00 3. .36 ACSY ATOM 793 CD ARG 44 0.421 -4, .815 11. .724 1. .00 3. .97 ACSY ATOM 794 HD1 ARG 44 0.214 -3, .832 12. .150 1. .00 4. .35 ACSY ATOM 795 HD2 ARG 44 1.495 -4. .908 11. .568 1. .00 4. .27 ACSY ATOM 796 NE ARG 44 0.050 -5. .805 12. .719 1. .00 4. .54 ACSY ATOM 797 HE ARG 44 -0.714 -6. .430 12. .557 1. .00 4. .82 ACSY ATOM 798 CZ ARG 44 0.752 -5. .865 13. .866 1. .00 5. .05 ACSY ATOM 799 NHI ARG 44 0.430 -6. .761 14. .795 1. ,00 5. .75 ACSY ATOM 800 HH11 ARG 44 -0.333 -7. .389 14. .640 1. ,00 5. .94 ACSY ATOM 801 HH12 ARG 44 0.951 -6. .807 15. .647 1. ,00 6. ,24 ACSY ATOM 802 NH2 ARG 44 1.767 -5. .029 14. .072 1. ,00 5. .19 ACSY ATOM 803 HH21 ARG 44 2.008 -4. .354 13. .375 1. ,00 4. ,89 ACSY ATOM 804 HH22 ARG 44 2.287 -5. .075 14. .925 1. 00 5. ,82 ACSY ATOM 805 C ARG 44 -4.097 -5. .864 9. ,791 1. 00 2. ,44 ACSY ATOM 806 O ARG 44 -5.004 -5. .588 9. ,015 1. 00 2. ,92 ACSY ATOM 807 N ASP 45 -4.259 -6. .430 11. ,001 1. 00 2. ,85 ACSY ATOM 808 HN ASP 45 -3.469 -6. .628 11. ,581 1. 00 2. ,99 ACSY ATOM 809 CA ASP 45 -5.603 -6. ,750 11. ,446 1. 00 3. ,58 ACSY ATOM 810 HA ASP 45 -6.245 -5. ,905 11. ,181 1. 00 3. ,95 ACSY ATOM 811 CB ASP 45 -6.073 -8. ,029 10. ,760 1. 00 4. 38 ACSY ATOM 812 HB1 ASP 45 -6.013 -7. ,927 9. 677 1. 00 4. 56 ACSY ATOM 813 HB2 ASP 45 -5.448 -8. 873 11. 050 1. 00 4. 52 ACSY ATOM 814 CG ASP 45 -7.521 -8. 326 11. 151 1. 00 5. 32 ACSY - 407 - ATOM 815 ODI ASP 45 8.418 -7.677 10.617 1.00 5.79 ACSY ATOM 816 OD2 ASP 45 7 .735 -9 .206 11 .984 1 .00 5 .88 ACSY ATOM 817 C ASP 45 5 .605 -6 .925 12 .963 1 .00 3 .64 ACSY ATOM 818 O ASP 45 5 .493 -8 .026 13 .488 1 .00 3 .97 ACSY ATOM 819 N ASN 46 5 .740 -5 .763 13 .627 1 .00 3 .82 ACSY ATOM 820 HN ASN 46 5 .829 -4 .899 13 .131 1 .00 4 .02 ACSY ATOM 821 CA ASN 46 5 .756 -5 .792 15 .078 1 00 4 .17 ACSY ATOM 822 HA ASN 46 6 .532 -6 .500 15 .382 1 00 4 .53 ACSY ATOM 823 CB ASN 46 4 .387 -6 .233 15 .592 1 00 4 87 ACSY ATOM 824 HB1 ASN 46 4 .122 -7 .211 15 .189 1 00 5 11 ACSY ATOM 825 HB2 ASN 46 3 .615 -5 .528 15 .284 1 00 5 08 ACSY ATOM 826 CG ASN 46 4 406 -6 314 17 .119 1 00 5 51 ACSY ATOM 827 ODI ASN 46 4 394 -7 387 17 711 1 00 5 75 ACSY ATOM 828 ND2 ASN 46 4 436 -5 106 17 708 1 00 6 13 ACSY ATOM 829 HD21 ASN 46 4 444 -4 271 17 159 1 00 6 18 ACSY ATOM 830 HD22 ASN 46 4 451 -5 024 18 704 1 00 6 74 ACSY ATOM 831 C ASN 46 6 109 -4 403 15 611 1 00 3 81 ACSY ATOM 832 O ASN 46 7 032 -4 227 16 395 1 00 4 09 ACSY ATOM 833 N ASN 47 5 309 -3 436 15 126 1 00 3 65 ACSY ATOM 834 HN ASN 47 4 574 -3 656 14 484 1 00 3 92 ACSY ATOM 835 CA ASN 47 5 536 -2 065 15 553 1 00 3 57 ACSY ATOM 836 HA ASN 47 6 526 -1 772 15 194 1 00 3 82 ACSY ATOM 837 CB ASN 47 5 464 -1 986 17 076 1 00 4 12 ACSY ATOM 838 HB1 ASN 47 6 266 -2 567 17 530 1 00 4 49 ACSY ATOM 839 HB2 ASN 47 4 517 -2 387 17 437 1 00 4 36 ACSY ATOM 840 CG ASN 47 5 591 -0 529 17 525 1 00 4 50 ACSY ATOM 841 ODI ASN 47 4 710 0 294 17 309 1 00 4 69 ACSY ATOM 842 ND2 ASN 47 6 746 -0 275 18 164 1 00 5 07 ACSY ATOM 843 HD21 ASN 47 7 421 -0 999 18 305 1 00 5 25 ACSY ATOM 844 HD22 ASN 47 6 949 0 643 18 507 1 00 5 55 ACSY ATOM 845 C ASN 47 4 484 -1 156 14 919 1 00 3 20 ACSY ATOM 846 O ASN 47 3 291 -1 435 14 936 1 00 3 63 ACSY ATOM 847 N GLY 48 5 012 -0 052 14 360 1 00 2 90 ACSY ATOM 848 HN GLY 48 5 998 0 109 14 383 1 00 3 10 ACSY ATOM 849 CA GLY 48 4 120 0 898 13 722 1 00 2 89 ACSY ATOM 850 HA1 GLY 48 3 167 0 397 13 555 1 00 3 50 ACSY ATOM 851 HA2 GLY 48 3 974 1 729 14 413 1 00 3 36 ACSY ATOM 852 C GLY 48 4 706 1 396 12 399 1 00 2 07 ACSY ATOM 853 O GLY 48 5 874 1 751 12 303 1 00 2 14 ACSY 408 - ATOM 854 N SER 49 -3.813 1.393 11.393 1.00 1.70 ACSY ATOM 855 HN SER 49 -2.872 1 .089 11 .546 1 .00 2 .10 ACSY ATOM 856 CA SER 49 -4.246 1 .842 10 .081 1 .00 1 .20 ACSY ATOM 857 HA SER 49 -5.249 1 .439 9 .915 1 .00 1 .42 ACSY ATOM 858 CB SER 49 ■ 4.264 3 .368 10 .044 1 .00 1 .53 ACSY ATOM 859 HB1 SER 49 -4.616 3 .729 9 .077 1 .00 2 .11 ACSY ATOM 860 HB2 SER 49 -4.924 3 .768 10 .813 1 .00 2 .00 ACSY ATOM 861 OG SER 49 -2.976 3 .886 10 .260 1 .00 2 .00 ACSY ATOM 862 HG SER 49 •3.047 4 .829 10 .192 1 .00 2 .35 ACSY ATOM 863 C SER 49 3.303 1 .289 9 .012 1 00 1 13 ACSY ATOM 864 O SER 49 2.209 0 .816 9 .294 1 00 1 .26 ACSY ATOM 865 N TYR 50 3.810 1 .382 7 770 1 00 1 03 ACSY ATOM 866 HN TYR 50 4.714 1 782 7 618 1 00 1 07 ACSY ATOM 867 CA TYR 50 3.016 0 893 6 651 1 00 0 97 ACSY ATOM 868 HA TYR 50 2.326 0 140 7 042 1 00 1 03 ACSY ATOM 869 CB TYR 50 3.935 0 293 5 576 1 00 1 02 ACSY ATOM 870 HB1 TYR 50 4.479 1 088 5 067 1 00 1 00 ACSY ATOM 871 HB2 TYR 50 3.339 -0 221 4 822 1 00 1 04 ACSY ATOM 872 CG TYR 50 4.930 -0 680 6 154 1 00 1 14 ACSY ATOM 873 CDl TYR 50 4.662 -1 349 7 375 1 00 1 94 ACSY ATOM 874 HD1 TYR 50 3.731 -1 169 7 893 1 00 2 71 ACSY ATOM 875 CEI TYR 50 5.606 -2 250 7 919 1 00 2 04 ACSY ATOM 876 HEI TYR 50 5.396 -2 755 8 851 1 00 2 86 ACSY ATOM 877 CD2 TYR 50 6.154 -0 927 5 486 1 00 1 46 ACSY ATOM 878 HD2 TYR 50 6.368 -0 424 4 554 1 00 2 15 ACSY ATOM 879 CE2 TYR 50 7.098 -1 828 6 030 1 00 1 54 ACSY ATOM 880 HE2 TYR 50 8.030 -2 010 5 515 1 00 2 22 ACSY ATOM 881 CZ TYR 50 6.823 -2 489 7 246 1 00 ' 1 40 ACSY ATOM 882 OH TYR 50 7.745 -3 368 7 778 1 00 1 54 ACSY ATOM 883 HH TYR 50 7.413 -3 721 8 593 1 00 1 79 ACSY ATOM 884 C TYR 50 2.218 2 061 6 073 1 00 0 86 ACSY ATOM 885 O TYR 50 2.370 3 204 6 485 1. 00 0 99 ACSY ATOM 886 N ALA 51 1.359 1 706 5 099 1. 00 0 73 ACSY ATOM 887 HN ALA 51 1.271 0 753 4 808 1. 00 0 79 ACSY ATOM 888 CA ALA 51 0.566 2 758 4 484 1. 00 0 64 ACSY ATOM 889 HA ALA 51 1.267 3 533 4 166 1. 00 0 63 ACSY ATOM 890 CB ALA 51 0.423 3 321 5 501 1. 00 0 70 ACSY ATOM 891 HB1 ALA 51 1.028 4. 111 5. 056 1. 00 1. 06 ACSY ATOM 892 HB2 ALA 51 0.100 3. 742 6. 360 1. 00 1. 35 ACSY - 409 - ATOM 893 HB3 ALA 51 1.096 2.545 5.864 1.00 1.32 ACSY ATOM 894 C ALA 51 0 .170 2 .230 3 .251 1 .00 0 .57 ACSY ATOM 895 O ALA 51 0 .835 1 .202 3 .275 1 .00 0 .65 ACSY ATOM 896 N LEU 52 •0 .001 3 .026 2 .179 1 .00 0 .47 ACSY ATOM 897 HN LEU 52 ■ 0 .580 3 .841 2 .248 1 .00 0 .49 ACSY ATOM 898 CA LEU 52 0 .636 2 .681 0 .915 1 .00 0 .41 ACSY ATOM 899 HA LEU 52 0 .565 1 .597 0 .793 1 .00 0 .45 ACSY ATOM 900 CB LEU 52 ■ 0. .091 3 .413 -0 .211 1 .00 0 .42 ACSY ATOM 901 HB1 LEU 52 ■ 0 .946 2 .821 -0 .539 1 .00 0. .51 ACSY ATOM 902 HB2 LEU 52 ■0 .486 4 .355 0 .166 1 .00 0. .45 ACSY ATOM 903 CG LEU 52 0 .825 3 .693 -1 .401 1 .00 0. .37 ACSY ATOM 904 HG LEU 52 1 .597 4 .411 -1 .091 1, .00 0. .35 ACSY ATOM 905 CDl LEU 52 1, .502 2 .404 -1, .871 1, .00 0. .43 ACSY ATOM 906 HD11 LEU 52 1, .255 1 .571 -1, .212 1, .00 1. .05 ACSY ATOM 907 HD12 LEU 52 1, .179 2 .140 -2 .879 1, .00 1, .13 ACSY ATOM 908 HD13 LEU 52 2, .586 2, .514 -1, .883 1, .00 1. .16 ACSY ATOM 909 CD2 LEU 52 0. .016 4, .312 -2. .537 1. .00 0. .42 ACSY ATOM 910 HD21 LEU 52 0. .414 5. .264 -2. .229 1. .00 0. .95 ACSY ATOM 911 HD22 LEU 52 0. .642 4, .488 -3. .409 1. .00 1. .11 ACSY ATOM 912 HD23 LEU 52 0. .801 3. .655 -2. .835 1. .00 1. .13 ACSY ATOM 913 C LEU 52 2. .106 3. .096 0. .949 1. ,00 0. .36 ACSY ATOM 914 O LEU 52 2. .448 4. .200 1. .334 1. ,00 0. .39 ACSY ATOM 915 N CYS 53 2. .947 2. .145 0. .501 1. ,00 0. .38 ACSY ATOM 916 HN CYS 53 2. .601 1. .265 0. .177 1. .00 0. .44 ACSY ATOM 917 CA CYS 53 4. .373 2. .434 0. .500 1. .00 0. .38 ACSY ATOM 918 HA CYS 53 4. .490 3. .501 0. .712 1. ,00 0. .40 ACSY ATOM 919 CB CYS 53 5. .058 1. .592 1. .573 1. ,00 0. .49 ACSY ATOM 920 HB1 CYS 53 4. .979 0. .535 1. .318 1. ,00 0. .73 ACSY ATOM 921 HB2 CYS 53 6. .121 1. .832 1. .609 1. .00 0. .87 ACSY ATOM 922 SG CYS 53 4. .353 1. .841 3. .222 1. ,00 1. .14 ACSY ATOM 923 HG CYS 53 3. .090 1. .409 3. .236 1. ,00 1. .74 ACSY ATOM 924 C CYS 53 4. ,976 2. .130 -0. .872 1. ,00 0. .34 ACSY ATOM 925 O CYS 53 5. ,041 0. .989 -1. ,310 1. ,00 0. .44 ACSY ATOM 926 N LEU 54 5. .419 3. .230 -1. .512 1. ,00 0. .33 ACSY ATOM 927 HN LEU 54 5. .333 4. .135 -1. .089 1. ,00 0. .38 ACSY ATOM 928 CA LEU 54 6. .035 3. .068 -2. .825 1. .00 0. .36 ACSY ATOM 929 HA LEU 54 6. .309 2. .013 -2. .913 1. .00 0. .36 ACSY ATOM 930 CB LEU 54 5. .054 3. .452 -3. .942 1. ,00 0. .45 ACSY ATOM 931 HB1 LEU 54 5. .563 3. .378 -4. .902 1. ,00 1. .31 ACSY 410 ATOM 932 HB2 LEU 54 4.248 2.724 -3.965 1.00 0.57 ACSY ATOM 933 CG LEU 54 4.454 4.861 -3.799 1.00 0.42 ACSY ATOM 934 HG LEU 54 4.083 5.165 -4.779 1.00 0.72 ACSY ATOM 935 CDl LEU 54 3.272 4.856 -2.832 1.00 0.55 ACSY ATOM 936 HD11 LEU 54 2.754 5.815 -2.849 1.00 1.22 ACSY ATOM 937 HD12 LEU 54 2.555 4.083 -3.102 1.00 1.16 ACSY ATOM 938 HD13 LEU 54 3.601 4.671 -1.811 1.00 1.05 ACSY ATOM 939 CD2 LEU 54 5.504 5.873 -3.348 1.00 0.59 ACSY ATOM 940 HD21 LEU 54 6.391 5.824 -3.978 1.00 1.17 ACSY ATOM 941 HD22 LEU 54 5.111 6.889 -3.397 1.00 1.25 ACSY ATOM 942 HD23 LEU 54 5.806 5.679 -2.323 1.00 1.10 ACSY ATOM 943 C LEU 54 7.313 3.900 -2.883 1.00 0.43 ACSY ATOM 944 O LEU 54 7.617 4.666 -1.980 1.00 0.49 ACSY ATOM 945 N LEU 55 8.059 3.691 -3.986 1.00 0.50 ACSY ATOM 946 HN LEU 55 7.787 3.019 -4.690 1.00 0.53 ACSY ATOM 947 CA LEU 55 9.293 4.449 -4.103 1.00 0.62 ACSY ATOM 948 HA LEU 55 9.333 5.134 -3.251 1.00 0.63 ACSY ATOM 949 CB LEU 55 10.473 3.493 -4.072 1.00 0.65 ACSY ATOM 950 HB1 LEU 55 10.385 2.842 -3.211 1.00 0.59 ACSY ATOM 951 HB2 LEU 55 10.442 2.853 -4.952 1.00 0.69 ACSY ATOM 952 CG LEU 55 11.805 4.248 -4.033 1.00 0.77 ACSY ATOM 953 HG LEU 55 11.627 5.274 -4.349 1.00 0.84 ACSY ATOM 954 CDl LEU 55 12.397 4.274 -2.631 1.00 0.77 ACSY ATOM 955 HD11 LEU 55 11.642 4.062 -1.883 1.00 1.27 ACSY ATOM 956 HD12 LEU 55 13.190 3.534 -2.535 1.00 1.29 ACSY ATOM 957 HD13 LEU 55 12.827 5.249 -2.414 1.00 1.20 ACSY ATOM 958 CD2 LEU 55 12.802 3.605 -4.983 1.00 0.84 ACSY ATOM 959 HD21 LEU 55 12.925 2.547 -4.750 1.00 1.24 ACSY ATOM 960 HD22 LEU 55 12.468 3.690 -6.013 1.00 1.34 ACSY ATOM 961 HD23 LEU 55 13.777 4.084 -4.898 1.00 1.32 ACSY ATOM 962 C LEU 55 9.307 5.264 -5.390 1.00 0.74 ACSY ATOM 963 O LEU 55 8.897 4.810 -6.451 1.00 0.79 ACSY ATOM 964 N HIS 56 9.811 6.501 -5.216 1.00 0.84 ACSY ATOM 965 HN HIS 56 10.099 6.815 -4.309 1.00 0.83 ACSY ATOM 966 CA HIS 56 9.899 7.379 -6.367 1.00 0.97 ACSY ATOM 967 HA HIS 56 8.998 7.214 -6.965 1.00 1.01 ACSY ATOM 968 CB HIS 56 9.974 8.830 -5.895 1.00 1.00 ACSY ATOM 969 HB1 HIS 56 9.096 9.085 -5.301 1.00 1.00 ACSY ATOM 970 HB2 HIS 56 10.853 8.985 -5.270 1.00 1.10 ACSY 411 ATOM 971 CG HIS 56 10.047 9.742 -7.096 1.00 1.31 ACSY ATOM 972 CD2 HIS 56 10.678 10.996 -7.193 1.00 2 .03 ACSY ATOM 973 HD2 HIS 56 11.213 11.508 -6.408 1.00 2 .72 ACSY ATOM 974 NDI HIS 56 9.492 9.456 -8.294 1.00 1 .62 ACSY ATOM 975 HD1 HIS 56 8.987 8.651 -8.529 1.00 2 .07 ACSY ATOM 976 CEI HIS 56 9.771 10.495 -9.099 1.00 1 .85 ACSY ATOM 977 HEI HIS 56 9.460 10.565 -10.131 1.00 2 .24 ACSY ATOM 978 NE2 HIS 56 10.485 11.437 -8.458 1.00 2. .10 ACSY ATOM 979 C HIS 56 11.135 7.004 -7.202 1.00 1. .26 ACSY ATOM 980 O HIS 56 11.119 6.071 -7.991 1.00 2, .14 ACSY ATOM 981 N GLU 57 12.204 7.789 -6.970 1.00 1. .18 ACSY ATOM 982 HN GLU 57 12.150 8.542 -6.314 1.00 1. .66 ACSY ATOM 983 CA GLU 57 13.440 7.535 -7.711 1.00 1. .28 ACSY ATOM 984 HA GLU 57 13.248 6.710 -8.403 1.00 1, .36 ACSY ATOM 985 CB GLU 57 13.801 8.802 -8.459 1.00 1. .42 ACSY ATOM 986 HB1 GLU 57 14.040 9.577 -7.732 1.00 1. .46 ACSY ATOM 987 HB2 GLU 57 14.698 8.639 -9.057 1.00 1. .58 ACSY ATOM 988 CG GLU 57 12.656 9.272 -9.356 1.00 1. .51 ACSY ATOM 989 HG1 GLU 57 11.705 8.866 -9.011 1.00 1. .60 ACSY ATOM 990 HG2 GLU 57 12.577 10.357 -9.338 1.00 1. .73 ACSY ATOM 991 CD GLU 57 12.899 8.812 -10.795 1.00 1. .74 ACSY ATOM 992 OEI GLU 57 12.048 8.110 -11.339 1.00 2. .07 ACSY ATOM 993 OE2 GLU 57 13.937 9.161 -11.355 1.00 2. .29 ACSY ATOM 994 C GLU 57 14.594 7.156 -6.767 1.00 1. .28 ACSY ATOM 995 O GLU 57 15.756 7.113 -7.156 1.00 1. .56 ACSY ATOM 996 N GLY 58 14.195 6.890 -5.517 1.00 1. .15 ACSY ATOM 997 HN GLY 58 13.230 6.933 -5.286 1.00 1. .21 ACSY ATOM 998 CA GLY 58 15.182 6.535 -4.511 1.00 1. .14 ACSY ATOM 999 HA1 GLY 58 16.152 6.846 -4.876 1.00 1, .29 ACSY ATOM 1000 HA2 GLY 58 15.169 5.451 -4.404 1.00 1, .17 ACSY ATOM 1001 C GLY 58 14.867 7.213 -3.169 1.00 1. .10 ACSY ATOM 1002 O GLY 58 15.744 7.559 -2.388 1.00 1. .20 ACSY ATOM 1003 N LYS 59 13.549 7.370 -2.981 1.00 0, .98 ACSY ATOM 1004 HN LYS 59 12.907 7.044 -3.661 1.00 0 .94 ACSY ATOM 1005 CA LYS 59 13.050 7.969 -1.778 1.00 0, .96 ACSY ATOM 1006 HA LYS 59 13.756 7.745 -0.975 1.00 1, .00 ACSY ATOM 1007 CB LYS 59 12.862 9.468 -1.964 1.00 1, .06 ACSY ATOM 1008 HB1 LYS 59 11.954 9.650 -2.536 1.00 1 .09 ACSY ATOM 1009 HB2 LYS 59 12.720 9.936 -0.990 1.00 1 .09 ACSY 412 - ATOM 1010 CG LYS 59 14.055 10.106 -2.673 1.00 1.30 ACSY ATOM 1011 HG1 LYS 59 14.129 11.154 -2.388 1.00 1.73 ACSY ATOM 1012 HG2 LYS 59 14.977 9.624 -2.346 1.00 1.75 ACSY ATOM 1013 CD LYS 59 13.932 9.999 -4.194 1.00 1.40 ACSY ATOM 1014 HD1 LYS 59 14.530 9.161 -4.552 1.00 1.77 ACSY ATOM 1015 HD2 LYS 59 12.897 9.785 -4.462 1.00 1.75 ACSY ATOM 1016 CE LYS 59 14.385 11.287 -4.884 1.00 1.71 ACSY ATOM 1017 HEI LYS 59 14.363 11.169 -5.967 1.00 2.09 ACSY ATOM 1018 HE2 LYS 59 13.721 12.112 -4.627 1.00 2.06 ACSY ATOM 1019 NZ LYS 59 15.739 11.674 -4.507 1.00 2.39 ACSY ATOM 1020 HZ1 LYS 59 16.406 10.933 -4.802 1.00 2.76 ACSY ATOM 1021 HZ2 LYS 59 15.986 12.570 -4.974 1.00 2.67 ACSY ATOM 1022 HZ3 LYS 59 15.790 11.796 -3.475 1.00 2.93 ACSY ATOM 1023 C LYS 59 11.723 7.291 -1.506 1.00 0.83 ACSY ATOM 1024 O LYS 59 10.697 7.603 -2.101 1.00 0.79 ACSY ATOM 1025 N VAL 60 11.819 6.338 -0.584 1.00 0.78 ACSY ATOM 1026 HN VAL 60 12.690 6.150 -0.142 1.00 0.83 ACSY ATOM 1027 CA VAL 60 10.630 5.584 -0.267 1.00 0.66 ACSY ATOM 1028 HA VAL 60 10.224 5.206 -1.216 1.00 0.62 ACSY ATOM 1029 CB VAL 60 10.972 4.437 0.674 1.00 0.66 ACSY ATOM 1030 HB VAL 60 11.963 4.058 0.423 1.00 0.70 ACSY ATOM 1031 CGI VAL 60 10.982 4.933 2.114 1.00 0.73 ACSY ATOM 1032 HG11 VAL 60 11.681 5.759 2.235 1.00 1.16 ACSY ATOM 1033 HG12 VAL 60 9.991 5.285 2.406 1.00 1.28 ACSY ATOM 1034 HG13 VAL 60 11.269 4.139 2.794 1.00 1.17 ACSY ATOM 1035 CG2 VAL 60 9.955 3.308 0.532 1.00 0.57 ACSY ATOM 1036 HG21 VAL 60 10.351 2.376 0.933 1.00 1.16 ACSY ATOM 1037 HG22 VAL 60 9.037 3.544 1.072 1.00 1.12 ACSY ATOM 1038 HG23 VAL 60 9.697 3.146 -0.512 1.00 1.05 ACSY ATOM 1039 C VAL 60 9.616 6.499 0.393 1.00 0.66 ACSY ATOM 1040 O VAL 60 9.941 7.393 1.164 1.00 0.75 ACSY ATOM 1041 N LEU 61 8.370 6.186 0.048 1.00 0.56 ACSY ATOM 1042 HN LEU 61 8.204 5.437 -0.570 1.00 0.51 ACSY ATOM 1043 CA LEU 61 7.285 6.965 0.591 1.00 0.57 ACSY ATOM 1044 HA LEU 61 7.710 7.604 1.366 1.00 0.65 ACSY ATOM 1045 CB LEU 61 6.641 7.796 -0.508 1.00 0.58 ACSY ATOM 1046 HB1 LEU 61 6.023 7.167 -1.146 1.00 0.53 ACSY ATOM 1047 HB2 LEU 61 5.976 8.534 -0.069 1.00 0.62 ACSY ATOM 1048 CG LEU 61 7.710 8.492 -1.323 1.00 0.68 ACSY 413 - ATOM 1049 HG LEU 61 8,.308 7..738 -1..835 1..00 0..66 ACSY ATOM 1050 CDl LEU 61 7. .090 9. .413 -2. .368 1. .00 0. .75 ACSY ATOM 1051 HD11 LEU 61 7. .859 9. .995 -2. .878 1. .00 1. .33 ACSY ATOM 1052 HD12 LEU 61 6. .552 8. .835 -3. .117 1. .00 1. .20 ACSY ATOM 1053 HD13 LEU 61 6, .389 10. .109 -1. .908 1. .00 1. .22 ACSY ATOM 1054 CD2 LEU 61 8. .609 9. .268 -0. .376 1. .00 0. .78 ACSY ATOM 1055 HD21 LEU 61 8. .692 10. .304 -0. .682 1. .00 1. .25 ACSY ATOM 1056 HD22 LEU 61 8. .209 9. .248 0. .639 1. .00 1. .39 ACSY ATOM 1057 HD23 LEU 61 9. .605 8. .834 -0. .350 1. .00 1. .15 ACSY ATOM 1058 C LEU 61 6. .252 6. .080 1. .228 1. .00 0. .50 ACSY ATOM 1059 O LEU 61 6. .206 4. .868 1. .051 1. .00 0. .47 ACSY ATOM 1060 N HIS 62 5. .422 6. .800 1. .975 1. .00 0. .51 ACSY ATOM 1061 HN HIS 62 5. .550 7. .798 2. .044 1. .00 0. .57 ACSY ATOM 1062 CA HIS 62 4. .350 6. .118 2. ,676 1. ,00 0. ,51 ACSY ATOM 1063 HA HIS 62 4. .120 5. .215 2. .103 1. ,00 0. ,44 ACSY ATOM 1064 CB HIS 62 4. .795 5. .762 4. .102 1. ,00 0. .64 ACSY ATOM 1065 HB1 HIS 62 4. .885 6. .663 4. .708 1. .00 0. .73 ACSY ATOM 1066 HB2 HIS 62 4. .058 5. .117 4. .581 1. .00 0. .73 ACSY ATOM 1067 CG HIS 62 6. .135 5. .049 4. .069 1. .00 0. .68 ACSY ATOM 1068 CD2 HIS 62 7. .412 5. .625 3. .932 1. .00 1. .28 ACSY ATOM 1069 HD2 HIS 62 7. .634 6. .678 3. .835 1. .00 1. .97 ACSY ATOM 1070 NDI HIS 62 6. .288 3. .709 4. .159 1. .00 0. .98 ACSY ATOM 1071 HD1 HIS 62 5. .578 3. .043 4. .263 1. .00 1. .60 ACSY ATOM 1072 CEI HIS 62 7, .611 3. .471 4. .080 1. .00 0. .81 ACSY ATOM 1073 HEI HIS 62 8, .058 2. .487 4, .121 1, .00 1, .04 ACSY ATOM 1074 NE2 HIS 62 8 .308 4, .612 3, .942 1, .00 1, .17 ACSY ATOM 1075 C HIS 62 3, .122 7, ,030 2. .698 1. .00 0, .53 ACSY ATOM 1076 O HIS 62 3, .223 8. .236 2. .842 1. .00 0, .81 ACSY ATOM 1077 N TYR 63 1, .961 6. .378 2. .529 1. .00 0, .51 ACSY ATOM 1078 HN TYR 63 1 .939 5, .396 2. .393 1, .00 0 .72 ACSY ATOM 1079 CA TYR 63 0 .733 7 .136 2, .531 1, .00 0 .52 ACSY ATOM 1080 HA TYR 63 0 .957 8 .138 2, .910 1 .00 0 .55 ACSY ATOM 1081 CB TYR 63 0 .182 7 .177 1 .114 1 .00 0 .47 ACSY ATOM 1082 HB1 TYR 63 0 .152 6 .170 0, .699 1 .00 0 .93 ACSY ATOM 1083 HB2 TYR 63 ■ 0 .831 7 .543 1 .129 1 .00 0 .77 ACSY ATOM 1084 CG TYR 63 1 .010 8 .044 0 .211 1 .00 0 .45 ACSY ATOM 1085 CDl TYR 63 1 .729 7 .461 -0 .860 1 .00 1 .28 ACSY ATOM 1086 HD1 TYR 63 1 .670 6 .403 -1 .030 1 .00 2 .17 ACSY ATOM 1087 CEI TYR 63 2 .514 8 .256 -1 .715 1 .00 1 .28 ACSY 414 ATOM 1088 HEI TYR 63 3.059 7.796 -2.524 1.00 2.14 ACSY ATOM 1089 CD2 TYR 63 1.089 9.446 0.412 1.00 1.28 ACSY ATOM 1090 HD2 TYR 63 0.540 9.915 1.216 1.00 2.15 ACSY ATOM 1091 CE2 TYR 63 1.877 10.240 -0.446 1.00 1.33 ACSY ATOM 1092 HE2 TYR 63 1.947 11.294 -0.276 1.00 2.22 ACSY ATOM 1093 CZ TYR 63 2.589 9.648 -1.510 1.00 0.58 ACSY ATOM 1094 OH TYR 63 3.359 10.430 -2.347 1.00 0.68 ACSY ATOM 1095 HH TYR 63 3.797 9.878 -2.982 1.00 1.05 ACSY ATOM 1096 C TYR 63 -0.273 6.447 3.445 1.00 0.60 ACSY ATOM 1097 O TYR 63 -0.650 5.306 3.228 1.00 0.80 ACSY ATOM 1098 N ARG 64 -0.695 7.211 4.466 1.00 0.59 ACSY ATOM 1099 HN ARG 64 -0.363 8.147 4.582 1.00 0.65 ACSY ATOM 1100 CA ARG 64 -1.658 6.634 5.389 1.00 0.67 ACSY ATOM 1101 HA ARG 64 -1.238 5.684 5.739 1.00 0.70 ACSY ATOM 1102 CB ARG 64 -1.914 7.570 6.566 1.00 0.72 ACSY ATOM 1103 HB1 ARG 64 -2.959 7.495 6.864 1.00 1.09 ACSY ATOM 1104 HB2 ARG 64 -1.325 7.240 7.418 1.00 1.24 ACSY ATOM 1105 CG ARG 64 -1.584 9.028 6.234 1.00 1.73 ACSY ATOM 1106 HG1 ARG 64 -0.504 9.170 6.237 1.00 2.39 ACSY ATOM 1107 HG2 ARG 64 -1.929 9.258 5.226 1.00 2.33 ACSY ATOM 1108 CD ARG 64 -2.234 9.991 7.228 1.00 1.95 ACSY ATOM 1109 HD1 ARG 64 -1.823 9.873 8.231 1.00 2.17 ACSY ATOM 1110 HD2 ARG 64 -3.312 9.850 7.277 1.00 2.56 ACSY ATOM llll NE ARG 64 -2.007 11.366 6.820 1.00 2.22 ACSY ATOM 1112 HE ARG 64 -2.669 11.842 6.242 1.00 2.64 ACSY ATOM 1113 CZ ARG 64 -0.886 11.990 7.232 1.00 2.59 ACSY ATOM 1114 NHI ARG 64 -0.655 13.248 6.869 1.00 3.34 ACSY ATOM 1115 HH11 ARG 64 -1.313 13.730 6.290 1.00 3.74 ACSY ATOM 1116 HH12 ARG 64 0.176 13.712 7.174 1.00 3.75 ACSY ATOM 1117 NH2 ARG 64 -0.010 11.350 8.002 1.00 2.83 ACSY ATOM 1118 HH21 ARG 64 -0.181 10.404 8.276 1.00 2.84 ACSY ATOM 1119 HH22 ARG 64 0.821 11.816 8.306 1.00 3.37 ACSY ATOM 1120 C ARG 64 -2.958 6.358 4.645 1.00 0.74 ACSY ATOM 1121 O ARG 64 -3.435 7.160 3.852 1.00 1.34 ACSY ATOM 1122 N ILE 65 -3.492 5.169 4.959 1.00 0.74 ACSY ATOM 1123 HN ILE 65 -3.032 4.563 5.603 1.00 1.15 ACSY ATOM 1124 CA ILE 65 -4.732 4.777 4.314 1.00 0.78 ACSY ATOM 1125 HA ILE 65 -5.128 5.657 3.800 1.00 0.75 ACSY ATOM 1126 CB ILE 65 -4.436 3.661 3.325 1.00 0.81 ACSY 415 ATOM 1127 HB ILE 65 -3.710 2.983 3.779 1.00 0.81 ACSY ATOM 1128 CG2 ILE 65 -5.704 2.870 3.001 1.00 1.05 ACSY ATOM 1129 HG21 ILE 65 -6.468 3.519 2.573 1.00 1.66 ACSY ATOM 1130 HG22 ILE 65 -5.495 2.077 2.283 1.00 1.37 ACSY ATOM 1131 HG23 ILE 65 -6.117 2.411 3.899 1.00 1.48 ACSY ATOM 1132 CGI ILE 65 -3.831 4.228 2.051 1.00 0.82 ACSY ATOM 1133 HGH ILE 65 -4.622 4.508 1.357 1.00 1.30 ACSY ATOM 1134 HG12 ILE 65 -3.272 5.135 2.281 1.00 1.25 ACSY ATOM 1135 CDl ILE 65 -2.911 3.207 1.403 1.00 0.86 ACSY ATOM 1136 HD11 ILE 65 -3.485 2.448 0.875 1.00 1.50 ACSY ATOM 1137 HD12 ILE 65 -2.243 3.684 0.692 1.00 1.23 ACSY ATOM 1138 HD13 ILE 65 -2.305 2.705 2.157 1.00 1.39 ACSY ATOM 1139 C ILE 65 -5.757 4.295 5.339 1.00 0.96 ACSY ATOM 1140 O ILE 65 -5.561 3.310 6.040 1.00 1.18 ACSY ATOM 1141 N ASP 66 -6.863 5.059 5.367 1.00 0.95 ACSY ATOM 1142 HN ASP 66 -6.934 5.874 4.797 1.00 0.90 ACSY ATOM 1143 CA ASP 66 -7.942 4.692 6.257 1.00 1.13 ACSY ATOM 1144 HA ASP 66 -7.945 3.602 6.335 1.00 1.31 ACSY ATOM 1145 CB ASP 66 -7.759 5.335 7.618 1.00 1.41 ACSY ATOM 1146 HB1 ASP 66 -6.738 5.221 7.963 1.00 1.63 ACSY ATOM 1147 HB2 ASP 66 -7.981 6.395 7.560 1.00 1.51 ACSY ATOM 1148 CG ASP 66 -8.703 4.684 8.631 1.00 1.74 ACSY ATOM 1149 ODI ASP 66 -8.651 3.465 8.783 1.00 2.12 ACSY ATOM 1150 OD2 ASP 66 -9.478 5.405 9.258 1.00 2.27 ACSY ATOM 1151 C ASP 66 -9.252 5.150 5.645 1.00 1.07 ACSY ATOM 1152 O ASP 66 -9.294 5.809 4.617 1.00 1.32 ACSY ATOM 1153 N LYS 67 -10.308 4.788 6.373 1.00 1.25 ACSY ATOM 1154 HN LYS 67 -10.183 4.303 7.235 1.00 1.58 ACSY ATOM 1155 CA LYS 67 -11.628 5.141 5.899 1.00 1.22 ACSY ATOM 1156 HA LYS 67 -11.573 5.207 4.808 1.00 1.15 ACSY ATOM 1157 CB LYS 67 -12.617 4.064 6.335 1.00 1.34 ACSY ATOM 1158 HB1 LYS 67 -13.618 4.324 5.992 1.00 1.51 ACSY ATOM 1159 HB2 LYS 67 -12.359 3.114 5.867 1.00 1.51 ACSY ATOM 1160 CG LYS 67 -12.623 3.907 7.851 1.00 1.53 ACSY ATOM 1161 HG1 LYS 67 -12.083 4.738 8.301 1.00 2.00 ACSY ATOM 1162 HG2 LYS 67 -13.641 3.962 8.219 1.00 1.67 ACSY ATOM 1163 CD LYS 67 -11.994 2.582 8.283 1.00 1.92 ACSY ATOM 1164 HD1 LYS 67 -11.023 2.464 7.803 1.00 2.32 ACSY ATOM 1165 HD2 LYS 67 -11.816 2.596 9.357 1.00 2.35 ACSY 416 ATOM 1166 CE LYS 67 -12.889 1.395 7.929 1.00 2.17 ACSY ATOM 1167 HEI LYS 67 -13.820 1.435 8.495 1.00 2.50 ACSY ATOM 1168 HE2 LYS 67 -13.144 1.409 6.870 1.00 2.34 ACSY ATOM 1169 NZ LYS 67 -12.252 0.115 8.214 1.00 2.57 ACSY ATOM 1170 HZ1 LYS 67 -11.401 0.013 7.626 1.00 2.87 ACSY ATOM 1171 HZ2 LYS 67 -11.986 0.076 9.219 1.00 3.05 ACSY ATOM 1172 HZ3 LYS 67 -12.915 -0.658 8.001 1.00 2.72 ACSY ATOM 1173 C LYS 67 -12.033 6.501 6.464 1.00 1.37 ACSY ATOM 1174 O LYS 67 -11.204 7.351 6.768 1.00 1.56 ACSY ATOM 1175 N ASP 68 -13.364 6.639 6.581 1.00 1.41 ACSY. ATOM 1176 HN ASP 68 -13.980 5.895 6.309 1.00 1.41 ACSY ATOM 1177 CA ASP 68 -13.896 7.882 7.105 1.00 1.62 ACSY ATOM 1178 HA ASP 68 -13.129 8.329 7.741 1.00 1.70 ACSY ATOM 1179 CB ASP 68 -14.254 8.797 5.942 1.00 1.72 ACSY ATOM 1180 HB1 ASP 68 -14.300 8.231 5.011 1.00 1.61 ACSY ATOM 1181 HB2 ASP 68 -15.230 9.250 6.101 1.00 2.02 ACSY ATOM 1182 CG ASP 68 -13.205 9.902 5.804 1.00 1.96 ACSY ATOM 1183 ODI ASP 68 -12.020 9.607 5.945 1.00 2.32 ACSY ATOM 1184 OD2 ASP 68 -13.586 11.046 5.557 1.00 2.39 ACSY ATOM 1185 C ASP 68 -15.134 7.572 7.938 1.00 1.77 ACSY ATOM 1186 O ASP 68 -16.196 8.158 7.766 1.00 2.22 ACSY ATOM 1187 N LYS 69 -14.920 6.607 8.848 1.00 1.68 ACSY ATOM 1188 HN LYS 69 -14.018 6.186 8.942 1.00 1.77 ACSY ATOM 1189 CA LYS 69 -16.030 6.185 9.693 1.00 1.82 ACSY ATOM 1190 HA LYS 69 -15.737 5.232 10.143 1.00 1.87 ACSY ATOM 1191 CB LYS 69 -16.293 7.239 10.764 1.00 2.01 ACSY ATOM 1192 HB1 LYS 69 -16.568 8.182 10.293 1.00 2.15 ACSY ATOM 1193 HB2 LYS 69 -17.140 6.933 11.377 1.00 2.17 ACSY ATOM 1194 CG LYS 69 -15.066 7.443 11.650 1.00 2.50 ACSY ATOM 1195 HG1 LYS 69 -14.395 8.167 11.187 1.00 2.75 ACSY ATOM 1196 HG2 LYS 69 -15.371 7.864 12.608 1.00 2.88 ACSY ATOM 1197 CD LYS 69 -14.323 6.127 11.878 1.00 3.02 ACSY ATOM 1198 HD1 LYS 69 -15.023 5.368 12.226 1.00 3.24 ACSY ATOM 1199 HD2 LYS 69 -13.917 5.769 10.930 1.00 3.05 ACSY ATOM 1200 CE LYS 69 -13.191 6.287 12.893 1.00 3.77 ACSY ATOM 1201 HEI LYS 69 -12.472 7.032 12.552 1.00 4.07 ACSY ATOM 1202 HE2 LYS 69 -13.583 6.620 13.854 1.00 4.08 ACSY ATOM 1203 NZ LYS 69 -12.467 5.041 13.117 1.00 4.38 ACSY ATOM 1204 HZ1 LYS 69 -13.126 4.316 13.466 1.00 4.70 ACSY 417 - ATOM 1205 HZ2 LYS 69 12.042 4.722 12.224 1.00 4, .59 ACSY ATOM 1206 HZ3 LYS 69 11, .718 5, .198 13 .822 1, .00 4, .74 ACSY ATOM 1207 C LYS 69 17 .277 5 .944 8 .837 1 .00 1, .81 ACSY ATOM 1208 O LYS 69 18 .411 6 .099 9 .273 1 .00 2, .01 ACSY ATOM 1209 N THR 70 16, .968 5. .553 7 .593 1 .00 1, .66 ACSY ATOM 1210 HN THR 70 16, .014 5 .483 7 .311 1 .00 1. .60 ACSY ATOM 1211 CA THR 70 18, .004 5, .255 6 .645 1, .00 1. .68 ACSY ATOM 1212 HA THR 70 18, .964 5, .528 7 .089 1, .00 1. .83 ACSY ATOM 1213 CB THR 70 17. .709 6, .052 5, .385 1, .00 1. .63 ACSY ATOM 1214 HB THR 70 16. .640 6, .255 5, .341 1. .00 1. .55 ACSY ATOM 1215 OG1 THR 70 18. .371 7. .291 5. .441 1. .00 1. .81 ACSY ATOM 1216 HG1 THR 70 19. .295 7. .103 5. .531 1. .00 1. .95 ACSY- ATOM 1217 CG2 THR 70 18. .118 5. .300 4. .130 1. .00 1. ,62 ACSY ATOM 1218 HG21 THR 70 17. .566 4. .363 4. .051 1. .00 1. ,96 ACSY ATOM 1219 HG22 THR 70 19. .180 5. .066 4. .149 1. .00 1. ,86 ACSY ATOM 1220 HG23 THR 70 17. .911 5. .891 3. .241 1. .00 1. ,91 ACSY ATOM 1221 C THR 70 17. .968 3. .755 6. .336 1. .00 1. .67 ACSY ATOM 1222 O THR 70 18. .974 3. .128 6. .025 1. .00 1. .79 ACSY ATOM 1223 N GLY 71 16. .728 3. .235 6. .447 1. .00 1. .59 ACSY ATOM 1224 HN GLY 71 15. .964 3. .809 6. .749 1. .00 1. .53 ACSY ATOM 1225 CA GLY 71 16. .532 1. .833 6. .169 1. .00 1. .67 ACSY ATOM 1226 HA1 GLY 71 17. .512 1. .401 6. .014 1. .00 1. .80 ACSY ATOM 1227 HA2 GLY 71 16. .075 1. .396 7. .050 1. .00 1. .79 ACSY ATOM 1228 C GLY 71 15. .651 1. .599 4. .933 1. .00 1. .52 ACSY ATOM 1229 O GLY 71 15. .118 0. .517 4. .717 1. .00 1. ,62 ACSY ATOM 1230 N LYS 72 15. .539 2. .681 4. .146 1. .00 1. .36 ACSY ATOM 1231 HN LYS 72 15. .986 3. .536 4. .401 1. .00 1. .37 ACSY ATOM 1232 CA LYS 72 14. .737 2. .586 2. .939 1. .00 1. .28 ACSY ATOM 1233 HA LYS 72 14. .667 1. .528 2. .679 1. .00 1. .36 ACSY ATOM 1234 CB LYS 72 15. .400 3. .380 1. .816 1. .00 1. .29 ACSY ATOM 1235 HB1 LYS 72 15, .365 4. .444 2. .053 1. .00 1. .38 ACSY ATOM 1236 HB2 LYS 72 14, .836 3, .246 0, .893 1. .00 1, .42 ACSY ATOM 1237 CG LYS 72 16, .851 2, .951 1, .599 1, .00 1, .65 ACSY ATOM 1238 HG1 LYS 72 16, .890 1, .883 1, .387 1, .00 1, .80 ACSY ATOM 1239 HG2 LYS 72 17 .421 3 .112 2 .513 1, .00 1 .99 ACSY ATOM 1240 CD LYS 72 17 .496 3 .727 0 .450 1, .00 2 .27 ACSY ATOM 1241 HD1 LYS 72 17 .213 .778 0, .515 1 .00 2 .73 ACSY ATOM 1242 HD2 LYS 72 17 .114 3. .357 -0 .502 1 .00 2 .64 ACSY ATOM 1243 CE LYS 72 19 .020 3 .605 0 .475 1 .00 2 .74 ACSY 418 ATOM 1244 HEI LYS 72 -19.321 2.558 0.439 1.00 2.96 ACSY ATOM 1245 HE2 LYS 72 -19.422 4 .035 1 .392 1 .00 3 .17 ACSY ATOM 1246 NZ LYS 72 -19.651 4 .286 -0 .649 1 .00 3 .27 ACSY ATOM 1247 HZ1 LYS 72 -20.686 4 .215 -0 .561 1 .00 3 .63 ACSY ATOM 1248 HZ2 LYS 72 ■19.371 5 .289 -0 .648 1 .00 3 .46 ACSY ATOM 1249 HZ3 LYS 72 ■19.346 3 .842 -1 .539 1 .00 3 .62 ACSY ATOM 1250 C LYS 72 -13.342 3 .128 3 .221 1 .00 1 .20 ACSY ATOM 1251 O LYS 72 -13.170 4 .120 3 .912 1 .00 1 .30 ACSY ATOM 1252 N LEU 73 ■12.363 2 .429 2 .621 1 .00 1 .12 ACSY ATOM 1253 HN LEU 73 •12.573 1 .653 2 .026 1, .00 1 .17 ACSY ATOM 1254 CA LEU 73 ■10.994 2 .851 2 .828 1, .00 1 .07 ACSY ATOM 1255 HA LEU 73 ■10.894 3 .156 3. .878 1, .00 1 .09 ACSY ATOM 1256 CB LEU 73 •10.049 1 .701 2, .490 1. .00 1 .07 ACSY ATOM 1257 HB1 LEU 73 ■10.307 1 .293 1 .513 1. .00 1 .23 ACSY ATOM 1258 HB2 LEU 73 -9.034 2 .080 2, .411 1. .00 1 .08 ACSY ATOM 1259 CG LEU 73 •10.098 0 .587 3, .536 1. .00 1 .12 ACSY ATOM 1260 HG LEU 73 •11.121 0 .215 3, .600 1. .00 1, .31 ACSY ATOM 1261 CDl LEU 73 -9.187 -0, .567 3, .120 1. .00 1, .13 ACSY ATOM 1262 HD11 LEU 73 -9.263 -1. .397 3. .822 1. .00 1. .55 ACSY ATOM 1263 HD12 LEU 73 -9.455 -0. .937 2. .130 1. .00 1. .77 ACSY ATOM 1264 HD13 LEU 73 -8.145 -0. .248 3. .087 1. ,00 1. .22 ACSY ATOM 1265 CD2 LEU 73 -9.680 1. .120 4. .909 1. ,00 1. .21 ACSY ATOM 1266 HD21 LEU 73 -8.705 1. .606 4. .858 1. ,00 1. .53 ACSY ATOM 1267 HD22 LEU 73 10.400 1. .848 5. .281 1. ,00 1. .71 ACSY ATOM 1268 HD23 LEU 73 -9.615 0. .311 5. .637 1. ,00 1. .59 ACSY ATOM 1269 C LEU 73 10.716 4. .044 1. .924 1. ,00 1. .03 ACSY ATOM 1270 O LEU 73 11.383 4. .262 0. ,923 1. ,00 1. .10 ACSY ATOM 1271 N SER 74 -9.696 4. ,802 2. ,346 1. 00 0. ,98 ACSY ATOM 1272 HN SER 74 -9.199 4. ,574 3. 184 1. 00 1. ,00 ACSY ATOM 1273 CA SER 74 -9.350 5. ,969 1. 562 1. 00 0. .95 ACSY ATOM 1274 HA SER 74 -9.233 5. .644 0. 524 1. 00 0. ,94 ACSY ATOM 1275 CB SER 74 10.470 6. ,999 1. 685 1. 00 1. .02 ACSY ATOM 1276 HB1 SER 74 10.201 7. ,925 1. 180 1. 00 1. .48 ACSY ATOM 1277 HB2 SER 74 11.392 6. ,626 1. 240 1. 00 1. .56 ACSY ATOM 1278 OG SER 74 10.724 7. ,295 3. 035 1. 00 1. .35 ACSY ATOM 1279 HG SER 74 11.419 7. ,940 3. 046 1. 00 1. ,36 ACSY ATOM 1280 C SER 74 -8.034 6. ,564 2. 052 1. 00 0. .91 ACSY ATOM 1281 O SER 74 -7.308 5. 984 2. 851 1. 00 1. ,21 ACSY ATOM 1282 N ILE 75 -7.792 7. 766 1. 507 1. 00 0. ,80 ACSY 419 ATOM 1283 HN ILE 75 -8.442 8.166 0.861 1.00 0.98 ACSY ATOM 1284 CA ILE 75 -6.581 8.479 1.864 1.00 0.76 ACSY ATOM 1285 HA ILE 75 -6.269 8.131 2.851 1.00 0.79 ACSY ATOM 1286 CB ILE 75 -5.511 8.203 0.808 1.00 0.72 ACSY ATOM 1287 HB ILE 75 -5.938 8.425 -0.169 1.00 1.16 ACSY ATOM 1288 CG2 ILE 75 -4.287 9.097 1.016 1.00 0.90 ACSY ATOM 1289 HG21 ILE 75 -3.615 8.669 1.759 1.00 1.48 ACSY ATOM 1290 HG22 ILE 75 -3.727 9.215 0.089 1.00 1.34 ACSY ATOM 1291 HG23 ILE 75 -4.581 10.088 1.359 1.00 1.53 ACSY ATOM 1292 CGI ILE 75 -5.094 6.733 0.832 1.00 0.90 ACSY ATOM 1293 HGH ILE 75 -4.812 6.448 1.845 1.00 1.14 ACSY ATOM 1294 HG12 ILE 75 -5.941 6.107 0.553 1.00 1.40 ACSY ATOM 1295 CDl ILE 75 -3.925 6.473 -0.121 1.00 0.83 ACSY ATOM 1296 HD11 ILE 75 -3.027 6.991 0.216 1.00 1.20 ACSY ATOM 1297 HD12 ILE 75 -3.698 5.409 -0.178 1.00 1.33 ACSY ATOM 1298 HD13 ILE 75 -4.158 6.822 -1.127 1.00 1.27 ACSY ATOM 1299 C ILE 75 -6.906 9.973 1.916 1.00 0.81 ACSY ATOM 1300 O ILE 75 -7.672 10.490 1.113 1.00 0.86 ACSY ATOM 1301 N PRO 76 -6.283 10.643 2.910 1.00 0.84 ACSY ATOM 1302 CD PRO 76 -5.351 10.026 3.835 1.00 0.85 ACSY ATOM 1303 HD1 PRO 76 -4.570 9.501 3.288 1.00 0.92 ACSY ATOM 1304 HD2 PRO 76 -5.872 9.307 4.466 1.00 0.94 ACSY ATOM 1305 CA PRO 76 -6.467 12.066 3.108 1.00 0.92 ACSY ATOM 1306 HA PRO 76 -7.478 12.256 3.461 1.00 1.01 ACSY ATOM 1307 CB PRO 76 -5.437 12.470 4.167 1.00 0.95 ACSY ATOM 1308 HB1 PRO 76 -4.694 13.143 3.740 1.00 0.94 ACSY ATOM 1309 HB2 PRO 76 -5.921 12.993 4.991 1.00 1.05 ACSY ATOM 1310 CG PRO 76 -4.770 11.176 4.664 1.00 0.93 ACSY ATOM 1311 HG1 PRO 76 -3.689 11.230 4.540 1.00 0.92 ACSY ATOM 1312 HG2 PRO 76 -4.974 11.023 5.724 1.00 1.02 ACSY ATOM 1313 C PRO 76 -6.239 12.842 1.812 1.00 0.90 ACSY ATOM 1314 O PRO 76 -7.151 13.420 1.232 1.00 1.03 ACSY ATOM 1315 N GLU 77 -4.962 12.809 1.408 1.00 0.82 ACSY ATOM 1316 HN GLU 77 -4.273 12.329 1.948 1.00 0.80 ACSY ATOM 1317 CA GLU 77 -4.600 13.494 0.178 1.00 0.84 ACSY ATOM 1318 HA GLU 77 -5.197 14.409 0.128 1.00 0.96 ACSY ATOM 1319 CB GLU 77 -3.111 13.821 0.209 1.00 0.90 ACSY ATOM 1320 HB1 GLU 77 -2.533 12.905 0.084 1.00 1.16 ACSY ATOM 1321 HB2 GLU 77 -2.859 14.468 -0.631 1.00 1.24 ACSY 420 ATOM 1322 CG GLU 77 -2.715 14.500 1.520 1.00 1.34 ACSY ATOM 1323 HG1 GLU 77 -3.014 13.892 2.373 1.00 1.86 ACSY ATOM 1324 HG2 GLU 77 -1.636 14.637 1.571 1.00 1.80 ACSY ATOM 1325 CD GLU 77 -3.396 15.867 1.621 1.00 2.06 ACSY ATOM 1326 OEI GLU 77 -4.001 16.145 2.655 1.00 2.62 ACSY ATOM 1327 OE2 GLU 77 -3.313 16.636 0.665 1.00 2.79 ACSY ATOM 1328 C GLU 77 -4.931 12.612 -1.035 1.00 0.73 ACSY ATOM 1329 O GLU 77 -5.307 13.094 -2.097 1.00 0.84 ACSY ATOM 1330 N GLY 78 -4.766 11.293 -0.802 1.00 0.65 ACSY ATOM 1331 HN GLY 78 -4.457 10.971 0.091 1.00 0.74 ACSY ATOM 1332 CA GLY 78 -5.037 10.353 -1.876 1.00 0.58 ACSY ATOM 1333 HA1 GLY 78 -4.888 9.351 -1.483 1.00 0.95 ACSY ATOM 1334 HA2 GLY 78 -4.305 10.533 -2.663 1.00 0.69 ACSY ATOM 1335 C GLY 78 -6.463 10.510 -2.413 1.00 0.70 ACSY ATOM 1336 O GLY 78 -6.861 11.564 -2.893 1.00 0.97 ACSY ATOM 1337 N LYS 79 -7.198 9.386 -2.295 1.00 0.65 ACSY ATOM 1338 HN LYS 79 -6.806 8.558 -1.895 1.00 0.71 ACSY ATOM 1339 CA LYS 79 -8.568 9.395 -2.775 1.00 0.74 ACSY ATOM 1340 HA LYS 79 -8.879 10.435 -2.871 1.00 0.82 ACSY ATOM 1341 CB LYS 79 -8.617 8.689 -4.129 1.00 0.75 ACSY ATOM 1342 HB1 LYS 79 -7.683 8.833 -4.647 1.00 0.96 ACSY ATOM 1343 HB2 LYS 79 -8.719 7.617 -3.972 1.00 0.88 ACSY ATOM 1344 CG LYS 79 -9.764 9.200 -4.998 1.00 1.02 ACSY ATOM 1345 HG1 LYS 79 -10.152 8.384 -5.607 1.00 1.25 ACSY ATOM 1346 HG2 LYS 79 -10.584 9.539 -4.365 1.00 1.14 ACSY ATOM 1347 CD LYS 79 -9.303 10.342 -5.904 1.00 1.32 ACSY ATOM 1348 HD1 LYS 79 -9.106 11.229 -5.303 1.00 1.40 ACSY ATOM 1349 HD2 LYS 79 -8.360 10.069 -6.381 1.00 1.43 ACSY ATOM 1350 CE LYS 79 -10.344 10.668 -6.976 1.00 1.64 ACSY ATOM 1351 HEI LYS 79 -10.553 9.789 -7.586 1.00 1.84 ACSY ATOM 1352 HE2 LYS 79 -11.281 10.983 -6.517 1.00 1.93 ACSY ATOM 1353 NZ LYS 79 -9.905 11.734 -7.868 1.00 2.44 ACSY ATOM 1354 HZ1 LYS 79 -9.728 12.597 -7.316 1.00 2.79 ACSY ATOM 1355 HZ2 LYS 79 -9.030 11.444 -8.350 1.00 2.96 ACSY ATOM 1356 HZ3 LYS 79 -10.644 11.920 -8.575 1.00 2.83 ACSY ATOM 1357 C LYS 79 -9.481 8.689 -1.770 1.00 0.85 ACSY ATOM 1358 O LYS 79 -9.352 8.823 -0.561 1.00 1.10 ACSY ATOM 1359 N LYS 80 -10.405 7.932 -2.379 1.00 0.88 ACSY ATOM 1360 HN LYS 80 -10.416 7.887 -3.381 1.00 1.00 ACSY 421 ATOM 1361 CA LYS 80 •11.366 7.178 -1.581 1.00 0.95 ACSY ATOM 1362 HA LYS 80 10 .863 6 .883 -0 .657 1, .00 0 .94 ACSY ATOM 1363 CB LYS 80 12 .586 8 .049 -1 .285 1, .00 1 .07 ACSY ATOM 1364 HB1 LYS 80 •12 .873 8 .595 -2 .183 1 .00 1 .37 ACSY ATOM 1365 HB2 LYS 80 13 .431 7 .413 -1, .020 1, .00 1, .48 ACSY ATOM 1366 CG LYS 80 12 .314 9 .034 -0. .148 1, .00 1, .96 ACSY ATOM 1367 HG1 LYS 80 11, .456 9 .658 -0, .400 1, .00 2, .60 ACSY ATOM 1368 HG2 LYS 80 12 .049 8 .485 0, .755 1, .00 2, .58 ACSY ATOM 1369 CD LYS 80 13 .528 9 .919 0, .133 1, .00 2, .13 ACSY ATOM 1370 HD1 LYS 80 13, .769 10, .504 -0. .755 1. .00 2. .69 ACSY ATOM 1371 HD2 LYS 80 14. .396 9, .294 0, .342 1. .00 2. .42 ACSY ATOM 1372 CE LYS 80 13, .276 10, .858 1. .313 1. .00 2. .10 ACSY ATOM 1373 HEI LYS 80 12, .978 10, .293 2. .195 1. .00 2. .30 ACSY ATOM 1374 HE2 LYS 80 12, .473 11, .558 1. .081 1. .00 2. .28 ACSY ATOM 1375 NZ LYS 80 14, .457 11, .638 1. .664 1. .00 2. .59 ACSY ATOM 1376 HZ1 LYS 80 14. .752 12. .210 0. .847 1. .00 2. .95 ACSY ATOM 1377 HZ2 LYS 80 15. .229 10. .996 1. .934 1. ,00 2. .99 ACSY ATOM 1378 HZ3 LYS 80 14, .233 12. .266 2. .463 1. ,00 2. .80 ACSY ATOM 1379 C LYS 80 11. .777 5. .923 -2. .354 1. .00 0. .98 ACSY ATOM 1380 O LYS 80 12. .191 5. .986 -3. .505 1. .00 1. .01 ACSY ATOM 1381 N PHE 81 11. .632 4. .782 -1. .649 1. ,00 1. .00 ACSY ATOM 1382 HN PHE 81 11. .275 4. .790 -0. .723 1. ,00 1. .02 ACSY ATOM 1383 CA PHE 81 11. .970 3. .532 -2. .289 1. ,00 1. .05 ACSY ATOM 1384 HA PHE 81 12. .605 3. .760 -3. .149 1. ,00 1. .08 ACSY ATOM 1385 CB PHE 81 10. .678 2. .874 -2. .724 1. .00 1. .00 ACSY ATOM 1386 HB1 PHE 81 -9, .970 2. .868 -1. .899 1. .00 0. .95 ACSY ATOM 1387 HB2 PHE 81 10. .863 1. .847 -2. .995 1. ,00 1. .07 ACSY ATOM 1388 CG PHE 81 10. .071 3. .595 -3. .889 1. .00 0. .97 ACSY ATOM 1389 CDl PHE 81 -9. .065 4. .571 -3. .683 1. .00 1. .42 ACSY ATOM 1390 HD1 PHE 81 -8, .730 4, .796 -2. .680 1. .00 2. .20 ACSY ATOM 1391 CD2 PHE 81 10, .501 3, .310 -5. .207 1. .00 1, .66 ACSY ATOM 1392 HD2 PHE 81 11. .268 2. .569 -5. .373 1. .00 2. .45 ACSY ATOM 1393 CEI PHE 81 -8, .495 5. .250 -4. .784 1. .00 1. .43 ACSY ATOM 1394 HEI PHE 81 -7, .727 5, .992 -4. .621 1. .00 2, .17 ACSY ATOM 1395 CE2 PHE 81 -9, .931 3, .990 -6, .307 1. .00 1, .72 ACSY ATOM 1396 HE2 PHE 81 10 .266 3 .769 -7, .310 1. .00 2 .54 ACSY ATOM 1397 CZ PHE 81 -8 .928 4 .960 -6 .096 1. .00 1 .07 ACSY ATOM 1398 HZ PHE 81 -8 .493 5, .479 -6, .936 1. .00 1, .15 ACSY ATOM 1399 C PHE 81 12 .721 2 .604 -1, .331 1. .00 1 .12 ACSY 422 - ATOM 1400 O PHE 81 -12.887 2.872 -0.144 1.00 1.13 ACSY ATOM 1401 N ASP 82 -13.144 1.480 -1.942 1.00 1.17 ACSY ATOM 1402 HN ASP 82 -12.957 1.330 -2.913 1.00 1.17 ACSY ATOM 1403 CA ASP 82 -13.872 0.491 -1.169 1.00 1.25 ACSY ATOM 1404 HA ASP 82 -14.572 1.031 -0.524 1.00 1.29 ACSY ATOM 1405 CB ASP 82 -14.617 -0.448 -2.114 1.00 1.33 ACSY ATOM 1406 HB1 ASP 82 -15.388 0.091 -2.665 1.00 1.38 ACSY ATOM 1407 HB2 ASP 82 -13.932 -0.883 -2.842 1.00 1.29 ACSY ATOM 1408 CG ASP 82 -15.273 -1.576 -1.315 1.00 1.43 ACSY ATOM 1409 ODI ASP 82 -15.202 -2.724 -1.753 1.00 1.70 ACSY ATOM 1410 OD2 ASP 82 -15.845 -1.295 -0.263 1.00 1.95 ACSY ATOM 1411 C ASP 82 -12.895 -0.295 -0.299 1.00 1.22 ACSY ATOM 1412 O ASP 82 -13.065 -0.421 0.908 1.00 1.25 ACSY ATOM 1413 N THR 83 -11.861 -0.814 -0.990 1.00 1.16 ACSY ATOM 1414 HN THR 83 -11.765 -0.669 -1.977 1.00 1.14 ACSY ATOM 1415 CA THR 83 -10.873 -1.579 -0.271 1.00 1.13 ACSY ATOM 1416 HA THR 83 -10.875 -1.227 0.764 1.00 1.14 ACSY ATOM 1417 CB THR 83 -11.217 -3.065 -0.348 1.00 1.21 ACSY ATOM 1418 HB THR 83 -10.445 -3.644 0.155 1.00 1.26 ACSY ATOM 1419 OG1 THR 83 -11.227 -3.472 -1.694 1.00 1.23 ACSY ATOM 1420 HG1 THR 83 -12.129 -3.431 -1.985 1.00 1.47 ACSY ATOM 1421 CG2 THR 83 -12.573 -3.368 0.289 1.00 1.25 ACSY ATOM 1422 HG21 THR 83 -13.376 -2.863 -0.246 1.00 1.46 ACSY ATOM 1423 HG22 THR 83 -12.779 -4.439 0.274 1.00 1.73 ACSY ATOM 1424 HG23 THR 83 -12.598 -3.035 1.327 1.00 1.64 ACSY ATOM 1425 C THR 83 -9.515 -1.308 -0.894 1.00 1.03 ACSY ATOM 1426 O THR 83 -9.391 -0.643 -1.915 1.00 1.00 ACSY ATOM 1427 N LEU 84 -8.510 -1.867 -0.215 1.00 1.00 ACSY ATOM 1428 HN LEU 84 -8.666 -2.396 0.613 1.00 1.05 ACSY ATOM 1429 CA LEU 84 -7.173 -1.699 -0.685 1.00 0.92 ACSY ATOM 1430 HA LEU 84 -6.979 -0.632 -0.760 1.00 0.87 ACSY ATOM 1431 CB LEU 84 -6.299 -2.389 0.330 1.00 0.92 ACSY ATOM 1432 HB1 LEU 84 -6.898 -3.093 0.909 1.00 1.00 ACSY ATOM 1433 HB2 LEU 84 -5.574 -2.978 -0.193 1.00 0.92 ACSY ATOM 1434 CG LEU 84 -5.622 -1.416 1.282 1.00 0.90 ACSY ATOM 1435 HG LEU 84 -6.380 -0.995 1.944 1.00 1.16 ACSY ATOM 1436 CDl LEU 84 -4.601 -2.162 2.132 1.00 1.20 ACSY ATOM 1437 HD11 LEU 84 -5.101 -2.819 2.845 1.00 1.68 ACSY ATOM 1438 HD12 LEU 84 -3.953 -2.777 1.508 1.00 1.60 ACSY 423 ATOM 1439 HD13 LEU 84 -3.977 -1.469 2.691 1.00 1.73 ACSY ATOM 1440 CD2 LEU 84 -4.961 -0.278 0.507 1.00 0.96 ACSY ATOM 1441 HD21 LEU 84 -4.200 0.211 1.112 1.00 1.46 ACSY ATOM 1442 HD22 LEU 84 -4.487 -0.651 -0.400 1.00 1.33 ACSY ATOM 1443 HD23 LEU 84 -5.696 0.474 0.220 1.00 1.56 ACSY ATOM 1444 C LEU 84 -6.960 -2.336 -2.056 1.00 0.91 ACSY ATOM 1445 O LEU 84 -5.899 -2.237 -2.648 1.00 0.84 ACSY ATOM 1446 N TRP 85 -8.028 -2.982 -2.507 1.00 1.00 ACSY ATOM 1447 HN TRP 85 -8.873 -2.979 -1.975 1.00 1.06 ACSY ATOM 1448 CA TRP 85 -7.958 -3.636 -3.800 1.00 1.02 ACSY ATOM 1449 HA TRP 85 -6.931 -3.986 -3.945 1.00 0.97 ACSY ATOM 1450 CB TRP 85 -8.967 -4.771 -3.822 1.00 1.13 ACSY ATOM 1451 HB1 TRP 85 -9.517 -4.792 -2.885 1.00 1.18 ACSY ATOM 1452 HB2 TRP 85 -9.691 -4.617 -4.622 1.00 1.17 ACSY ATOM 1453 CG TRP 85 -8.258 -6.083 -4.046 1.00 1.14 ACSY ATOM 1454 CD2 TRP 85 -8.087 -7.145 -3.107 1.00 1.33 ACSY ATOM 1455 CE2 TRP 85 -7.350 -8.172 -3.774 1.00 1.26 ACSY ATOM 1456 CE3 TRP 85 -8.487 -7.308 -1.787 1.00 1.64 ACSY ATOM 1457 HE3 TRP 85 -9.044 -6.530 -1.287 1.00 1.71 ACSY ATOM 1458 CDl TRP 85 -7.640 -6.471 -5.232 1.00 1.08 ACSY ATOM 1459 HD1 TRP 85 -7.597 -5.877 -6.135 1.00 1.13 ACSY ATOM 1460 NEI TRP 85 -7.098 -7.716 -5.073 1.00 1.10 ACSY ATOM 1461 HEI TRP 85 -6.609 -8.212 -5.762 1.00 1.10 ACSY ATOM 1462 CZ2 TRP 85 -7.024 -9.348 -3.110 1.00 1.47 ACSY ATOM 1463 HZ2 TRP 85 -6.467 -10.122 -3.618 1.00 1.42 ACSY ATOM 1464 CZ3 TRP 85 -8.160 -8.505 -1.100 1.00 1.91 ACSY ATOM 1465 HZ3 TRP 85 -8.467 -8.640 -0.074 1.00 2.21 ACSY ATOM 1466 CH2 TRP 85 -7.428 -9.526 -1.763 1.00 1.81 ACSY ATOM 1467 HH2 TRP 85 -7.178 -10.437 -1.240 1.00 2.03 ACSY ATOM 1468 C TRP 85 -8.303 -2.649 -4.891 1.00 1.01 ACSY ATOM 1469 O TRP 85 -7.844 -2.737 -6.023 1.00 1.00 ACSY ATOM 1470 N GLN 86 -9.143 -1.707 -4.468 1.00 1.04 ACSY ATOM 1471 HN GLN 86 -9.435 -1.683 -3.501 1.00 1.05 ACSY ATOM 1472 CA GLN 86 -9.564 -0.712 -5.420 1.00 1.05 ACSY ATOM 1473 HA GLN 86 -9.489 -1.171 -6.403 1.00 1.08 ACSY ATOM 1474 CB GLN 86 -10.992 -0.263 -5.119 1.00 1.15 ACSY ATOM 1475 HB1 GLN 86 -11.019 0.247 -4.157 1.00 1.16 ACSY ATOM 1476 HB2 GLN 86 -11.314 0.460 -5.868 1.00 1.18 ACSY ATOM 1477 CG GLN 86 -11.960 -1.446 -5.099 1.00 1.24 ACSY 424 - ATOM 1478 HG1 GLN 86 -11.718 -2.126 -4.282 1.00 1.35 ACSY ATOM 1479 HG2 GLN 86 -12.984 -1.103 -4.954 1.00 1.33 ACSY ATOM 1480 CD GLN 86 -11.875 -2.210 -6.421 1.00 1.40 ACSY ATOM 1481 OEI GLN 86 -11.463 -1.684 -7.448 1.00 1.73 ACSY ATOM 1482 NE2 GLN 86 -12.291 -3.485 -6.319 1.00 1.91 ACSY ATOM 1483 HE21 GLN 86 -12.614 -3.848 -5.445 1.00 2.33 ACSY ATOM 1484 HE22 GLN 86 -12.285 -4.090 -7.115 1.00 2.19 ACSY ATOM 1485 C GLN 86 -8.604 0.450 -5.387 1.00 0.94 ACSY ATOM 1486 O GLN 86 -8.206 0.978 -6.406 1.00 0.92 ACSY ATOM 1487 N LEU 87 -8.239 0.813 -4.163 1.00 0.89 ACSY ATOM 1488 HN LEU 87 -8.595 0.343 -3.346 1.00 0.92 ACSY ATOM 1489 CA LEU 87 -7.304 1.910 -4.075 1.00 0.79 ACSY ATOM 1490 HA LEU 87 -7.711 2.718 -4.689 1.00 0.80 ACSY ATOM 1491 CB LEU 87 -7.136 2.341 -2.623 1.00 0.76 ACSY ATOM 1492 HB1 LEU 87 -8.075 2.740 -2.250 1.00 0.82 ACSY ATOM 1493 HB2 LEU 87 -6.896 1.473 -2.008 1.00 0.77 ACSY ATOM 1494 CG LEU 87 -6.040 3.394 -2.474 1.00 0.67 ACSY ATOM 1495 HG LEU 87 -6.152 4.126 -3.274 1.00 0.67 ACSY ATOM 1496 CDl LEU 87 -6.175 4.116 -1.135 1.00 0.69 ACSY ATOM 1497 HD11 LEU 87 -6.047 3.422 -0.304 1.00 1.19 ACSY ATOM 1498 HD12 LEU 87 -5.423 4.899 -1.038 1.00 1.21 ACSY ATOM 1499 HD13 LEU 87 -7.157 4.578 -1.040 1.00 1.26 ACSY ATOM 1500 CD2 LEU 87 -4.661 2.743 -2.592 1.00 0.59 ACSY ATOM 1501 HD21 LEU 87 -4.747 1.657 -2.644 1.00 1.19 ACSY ATOM 1502 HD22 LEU 87 -4.145 3.084 -3.489 1.00 1.08 ACSY ATOM 1503 HD23 LEU 87 -4.041 2.990 -1.733 1.00 1.22 ACSY ATOM 1504 C LEU 87 -5.964 1.501 -4.681 1.00 0.72 ACSY ATOM 1505 O LEU 87 -5.212 2.332 -5.165 1.00 0.66 ACSY ATOM 1506 N VAL 88 -5.717 0.177 -4.646 1.00 0.74 ACSY ATOM 1507 HN VAL 88 -6.369 -0.466 -4.266 1.00 0.80 ACSY ATOM 1508 CA VAL 88 -4.483 -0.294 -5.190 1.00 0.69 ACSY ATOM 1509 HA VAL 88 -3.708 0.431 -4.939 1.00 0.61 ACSY ATOM 1510 CB VAL 88 -4.167 -1.655 -4.620 1.00 0.71 ACSY ATOM 1511 HB VAL 88 -5.089 -2.232 -4.566 1.00 0.79 ACSY ATOM 1512 CGI VAL 88 -3.214 -2.369 -5.557 1.00 0.70 ACSY ATOM 1513 HGH VAL 88 -2.368 -1.727 -5.801 1.00 1.07 ACSY ATOM 1514 HG12 VAL 88 -2.841 -3.281 -5.112 1.00 1.28 ACSY ATOM 1515 HG13 VAL 88 -3.721 -2.622 -6.491 1.00 1.23 ACSY ATOM 1516 CG2 VAL 88 -3.568 -1.529 -3.223 1.00 0.68 ACSY - 425 - ATOM 1517 HG21 VAL 88 -4.205 -0.917 -2.584 1.00 1.08 ACSY ATOM 1518 HG22 VAL 88 -3.461 -2.507 -2.758 1.00 1.32 ACSY ATOM 1519 HG23 VAL 88 -2.585 -1.063 -3.264 1.00 1.23 ACSY ATOM 1520 C VAL 88 -4.591 -0.413 -6.691 1.00 0.74 ACSY ATOM 1521 O VAL 88 -3.748 0.061 -7.425 1.00 0.72 ACSY ATOM 1522 N GLU 89 -5.662 -1.112 -7.097 1.00 0.85 ACSY ATOM 1523 HN GLU 89 -6.349 -1.462 -6.439 1.00 0.88 ACSY ATOM 1524 CA GLU 89 -5.812 -1.312 -8.522 1.00 0.92 ACSY ATOM 1525 HA GLU 89 -4.903 -1.797 -8.869 1.00 0.91 ACSY ATOM 1526 CB GLU 89 -7.007 -2.188 -8.797 1.00 1.04 ACSY ATOM 1527 HB1 GLU 89 -7.058 -2.411 -9.856 1.00 1.10 ACSY ATOM 1528 HB2 GLU 89 -6.872 -3.120 -8.279 1.00 1.18 ACSY ATOM 1529 CG GLU 89 -8.310 -1.553 -8.351 1.00 1.13 ACSY ATOM 1530 HG1 GLU 89 -8.924 -2.287 -7.840 1.00 1.22 ACSY ATOM 1531 HG2 GLU 89 -8.122 -0.741 -7.660 1.00 1.15 ACSY ATOM 1532 CD GLU 89 -9.073 -1.014 -9.563 1.00 1.40 ACSY ATOM 1533 OEI GLU 89 -9.095 0.201 -9.750 1.00 1.89 ACSY ATOM 1534 OE2 GLU 89 -9.636 -1.816 -10.306 1.00 1.87 ACSY ATOM 1535 C GLU 89 -5.953 0.022 -9.219 1.00 0.92 ACSY ATOM 1536 O GLU 89 -5.363 0.278 -10.261 1.00 0.94 ACSY ATOM 1537 HIS 90 -6.772 0.851 -8.574 1.00 0.91 ACSY ATOM 1538 HN HIS 90 -7.226 0.559 -7.711 1.00 0.91 ACSY ATOM 1539 CA HIS 90 -6.985 2.160 -9.159 1.00 0.91 ACSY ATOM 1540 KA HIS 90 -7.441 2.007 -10.125 1.00 0.99 ACSY ATOM 1541 CB HIS 90 -7.847 3.019 -8.251 1.00 0.90 ACSY ATOM 1542 HB1 HIS 90 -8.606 2.423 -7.779 1.00 0.93 ACSY ATOM 1543 H32 HIS 90 -7.242 3.464 -7.461 1.00 0.82 ACSY ATOM 1544 CG HIS 90 -8.490 4.114 -9.066 1.00 0.95 ACSY ATOM 1545 CD2 HIS 90 -7.948 5.366 -9.409 1.00 0.95 ACSY ATOM 1546 HD2 HIS 90 -6.973 5.740 -9.133 1.00 1.03 ACSY ATOM 1547 .rOl HIS 90 -9.727 4.030 -9.601 1.00 1.13 ACSY ATOM 1548 HD1 HIS 90 -10.348 3.275 -9.530 1.00 1.31 ACSY ATOM 1549 CEI HIS 90 -9.939 5.187 -10.251 1.00 1.11 ACSY ATOM 1550 HEI HIS 90 -10.845 5.426 -10.788 1.00 1.26 ' ACSY ATOM 1551 NE2 HIS 90 -8.879 6.010 -10.150 1.00 1.01 ACSY ATOM 1552 r* HIS 90 -5.658 2.831 -9.357 1.00 0.84 ACSY ATOM 1553 0 HIS 90 -5.279 3.238 -10.440 1.00 0.88 ACSY ATOM 1554 TYR 91 -5.001 2.927 -8.218 1.00 0.74 ACSY ATOM 1555 HN TYR 91 -5.406 2.574 -7.386 1.00 0.73 ACSY 426 ATOM 1556 CA TYR 91 -3.701 3.552 -8.222 1.00 0.67 ACSY ATOM 1557 HA TYR 91 -3 .838 4 .557 -8 .627 1 .00 0 .69 ACSY ATOM 1558 CB TYR 91 -3 .164 3 .628 -6 .809 1 .00 0 .57 ACSY ATOM 1559 HB1 TYR 91 -3 .467 2 .753 -6 .240 1 .00 0 .57 ACSY ATOM 1560 HB2 TYR 91 -2 .083 3 .636 -6 .831 1 .00 0 .53 ACSY ATOM 1561 CG TYR 91 -3 .669 4 .873 -6 .123 1 .00 0 .56 ACSY ATOM 1562 CDl TYR 91 -2 .866 5 .559 -5 .180 1 .00 1 .41 ACSY ATOM 1563 HD1 TYR 91 -1 .873 5 .200 -4 .955 1 .00 2 .30 ACSY ATOM 1564 CEI TYR 91 -3 .355 6 .724 -4 .539 1 .00 1 .41 ACSY ATOM 1565 HEI TYR 91 -2 .736 7 .255 -3 .839 1 .00 2 .30 ACSY ATOM 1566 CD2 TYR 91 -4 .966 5 .373 -6 .414 1 .00 1 .27 ACSY ATOM 1567 HD2 TYR 91 -5 .577 4 .880 -7 .148 1. .00 2, .16 ACSY ATOM 1568 CE2 TYR 91 -5 .450 6 .533 -5 .773 1 .00 1, .27 ACSY ATOM 1569 HE2 TYR 91 -6 .433 6 .915 -6 .017 1 .00 2 .15 ACSY ATOM 1570 CZ TYR 91 -4 .645 7 .206 -4 .834 1 .00 0 .56 ACSY ATOM 1571 OH TYR 91 -5. .118 8 .340 -4 .205 1, .00 0, .58 ACSY ATOM 1572 HH TYR 91 ■ 5, .995 8, .529 -4, .511 1. .00 1. .05 ACSY ATOM 1573 C TYR 91 ■ 2, .756 2. .782 -9, .143 1. .00 0. .70 ACSY ATOM 1574 O TYR 91 ■ 1. .780 3. .320 -9, .647 1. .00 0. .70 ACSY ATOM 1575 N SER 92 •3. .099 1. .489 -9. .339 1. .00 0. .75 ACSY ATOM 1576 HN SER 92 •3. .901 1. .067 -8. .866 1. .00 0. .77 ACSY ATOM 1577 CA SER 92 ■ 2. .281 0. .713 -10. .253 1. .00 0. .79 ACSY ATOM 1578 HA SER 92 • 1. .260 0. .710 -9. .873 1. .00 0. .73 ACSY ATOM 1579 CB SER 92 • 2. .853 -0. .680 -10. .324 1. .00 0. .84 ACSY ATOM 1580 HB1 SER 92 • 3. .516 -0. ,841 -9. .491 1. ,00 0. .82 ACSY ATOM 1581 HB2 SER 92 ■ 3. .431 -0. ,811 -11. ,233 1. ,00 0. ,91 ACSY ATOM 1582 OG SER 92 ■ 1. .838 -1. ,651 -10. .290 1. ,00 0. ,82 ACSY ATOM 1583 HG SER 92 ■ 2. .269 -2. ,496 -10. .305 1. ,00 1. ,21 ACSY ATOM 1584 C SER 92 2. .325 1. ,363 -11. ,641 1. ,00 0. ,87 ACSY ATOM 1585 O SER 92 ■ 1. .539 1. ,064 -12. .533 1. 00 0. ,91 ACSY ATOM 1586 N TYR 93 3. ,308 2. 273 -11. 737 1. 00 0. 89 ACSY ATOM 1587 HN TYR 93 3. ,883 2. 467 -10. 936 1. 00 0. 86 ACSY ATOM 1588 CA TYR 93 3. ,517 2. 985 -12. 972 1. 00 0. 97 ACSY ATOM 1589 HA TYR 93 3. ,215 2. 336 -13. 796 1. 00 1. 02 ACSY ATOM 1590 CB TYR 93 4. 985 3. 386 -13. 072 1. 00 1. 02 ACSY ATOM 1591 HB1 TYR 93 5. 218 4. 130 -12. 312 1. 00 0. 97 ACSY ATOM 1592 HB2 TYR 93 5. 167 3. 856 -14. 023 1. 00 1. 08 ACSY ATOM 1593 CG TYR 93 5. 918 2. 217 -12. 907 1. 00 1. 06 ACSY ATOM 1594 CDl TYR 93 7. 280 2. 439 -12. 595 1. 00 1. 54 ACSY - 427 ATOM 1595 HD1 TYR 93 -7.641 3.450 -12.459 1.00 2.26 ACSY ATOM 1596 CEI TYR 93 -8 .165 1 .348 -12.436 1 .00 1.59 ACSY ATOM 1597 HEI TYR 93 -9 .202 1 .524 -12.192 1 .00 2.31 ACSY ATOM 1598 CD2 TYR 93 -5 .449 0 .888 -13.057 1 .00 1.63 ACSY ATOM 1599 HD2 TYR 93 -4 .406 0 .709 -13.275 1 .00 2.37 ACSY ATOM 1600 CE2 TYR 93 -6 .333 -0 .204 -12.898 1 .00 1.67 ACSY ATOM 1601 HE2 TYR 93 -5 .967 -1 .214 -13.007 1 .00 2.41 ACSY ATOM 1602 CZ TYR 93 -7 .691 0 .026 -12.588 1 .00 1.16 ACSY ATOM 1603 OH TYR 93 -8 .554 -1 .039 -12.434 1 .00 1.23 ACSY ATOM 1604 HH TYR 93 -8, .085 -1, .849 -12.582 1. .00 1.48 ACSY ATOM 1605 C TYR 93 -2, .678 4, .242 -12.954 1, .00 0.94 ACSY ATOM 1606 O TYR 93 -1, .841 4, .488 -13.809 1. .00 0.98 ACSY ATOM 1607 N LYS 94 -3. .031 5, .029 -11.929 1. .00 0.87 ACSY ATOM 1608 HN LYS 94 -3, .793 4, .781 -11.361 1, .00 0.86 ACSY ATOM 1609 CA LYS 94 -2, .372 6, .279 -11.711 1, .00 0.85 ACSY ATOM 1610 HA LYS 94 -1. .506 6. .337 -12.371 1. .00 0.88 ACSY ATOM 1611 CB LYS 94 -3. .373 7. .361 -11.999 1. .00 0.88 ACSY ATOM 1612 HB1 LYS 94 -2. .973 8. .319 -11.689 1. .00 0.86 ACSY ATOM 1613 HB2 LYS 94 -3. .535 7. .415 -13.055 1. .00 0.96 ACSY ATOM 1614 CG LYS 94 -4. .696 7. .090 -11.267 1. .00 0.87 ACSY ATOM 1615 HG1 LYS 94 -5. .048 6. .082 -11.495 1. .00 0.90 ACSY ATOM 1616 HG2 LYS 94 -4. .529 7. .122 -10.188 1. .00 0.79 ACSY ATOM 1617 CD LYS 94 -5. .773 8. .102 -11.652 1. .00 0.93 ACSY ATOM 1618 HD1 LYS 94 -6. .461 8. .239 -10.817 1. .00 0.97 ACSY ATOM 1619 HD2 LYS 94 -5. .314 9. .072 -11.844 1. .00 0.94 ACSY ATOM 1620 CE LYS 94 -6. .550 7. .643 -12.887 1. .00 1.00 ACSY ATOM 1621 HEI LYS 94 -5. .873 7. .465 -13.722 1. .00 1.06 ACSY ATOM 1622 HE2 LYS 94 -7. .077 6. .710 -12.683 1. ,00 1.13 ACSY ATOM 1623 NZ LYS 94 -7. .538 8. .625 -13.318 1. .00 1.05 ACSY ATOM 1624 HZ1 LYS 94 -8. .225 8. .784 -12.554 1. .00 1.22 ACSY ATOM 1625 HZ2 LYS 94 -7. .060 9. .520 -13.546 1. .00 1.48 ACSY ATOM 1626 HZ3 LYS 94 -8. .033 8. .271 -14.162 1. .00 1.28 ACSY ATOM 1627 C LYS 94 -1. .950 6. .436 -10.267 1. .00 0.74 ACSY ATOM 1628 O LYS 94 -2. .132 5. .579 -9.415 1. .00 0.69 ACSY ATOM 1629 N ALA 95 -1. .379 7. .619 -10.084 1. .00 0.73 ACSY ATOM 1630 HN ALA 95 -1. .244 8. .223 -10.867 1. .00 0.79 ACSY ATOM 1631 CA ALA 95 -0. .943 8. .000 -8.756 1. .00 0.65 ACSY ATOM 1632 HA ALA 95 -0. .569 7. .101 -8.261 1. .00 0.61 ACSY ATOM 1633 CB ALA 95 0. .147 9. .064 -8.862 1. .00 0.68 ACSY 428 ATOM 1634 HB1 ALA 95 -0.193 9.911 -9.458 1.00 1.18 ACSY ATOM 1635 HB2 ALA 95 0.424 9.437 -7.876 1.00 1.19 ACSY ATOM 1636 HB3 ALA 95 1.043 8.659 -9.333 1.00 1.17 ACSY ATOM 1637 C ALA 95 -2.152 8.539 -7.986 1.00 0.63 ACSY ATOM 1638 O ALA 95 -2.392 8.199 -6.836 1.00 0.57 ACSY ATOM 1639 N ASP 96 -2.903 9.392 -8.711 1.00 0.70 ACSY ATOM 1640 HN ASP 96 -2.652 9.617 -9.653 1.00 0.75 ACSY ATOM 1641 CA ASP 96 -4.090 9.981 -8.094 1.00 0.70 ACSY ATOM 1642 HA ASP 96 -4.639 10.467 -8.876 1.00 0.77 ACSY ATOM 1643 CB ASP 96 -4.918 8.885 -7.457 1.00 0.69 ACSY ATOM 1644 HB1 ASP 96 -4.416 7.926 -7.558 1.00 0.79 ACSY ATOM 1645 HB2 ASP 96 -5.050 9.086 -6.398 1.00 0.74 ACSY ATOM 1646 CG ASP 96 -6.294 8.806 -8.125 1.00 0.79 ACSY ATOM 1647 ODI ASP 96 -6.887 7.729 -8.119 1.00 1.31 ACSY ATOM 1648 OD2 ASP 96 -6.758 9.822 -8.640 1.00 1.32 ACSY ATOM 1649 C ASP 96 -3.708 11.031 -7.049 1.00 0.66 ACSY ATOM 1650 O ASP 96 -4.534 11.780 -6.541 1.00 0.69 ACSY ATOM 1651 N GLY 97 -2.410 11.019 -6.779 1.00 0.63 ACSY ATOM 1652 HN GLY 97 -1.826 10.370 -7.253 1.00 0.62 ACSY ATOM 1653 CA GLY 97 -1.873 11.951 -5.807 1.00 0.61 ACSY ATOM 1654 HA1 GLY 97 -2.565 11.987 -4.966 1.00 0.73 ACSY ATOM 1655 HA2 GLY 97 -1.836 12.931 -6.279 1.00 0.75 ACSY ATOM 1656 C GLY 97 -0.472 11.532 -5.339 1.00 0.56 ACSY ATOM 1657 O GLY 97 0.337 12.354 -4.926 1.00 0.58 ACSY ATOM 1658 N LEU 98 -0.238 10.205 -5.433 1.00 0.53 ACSY ATOM 1659 HN LEU 98 -0.934 9.581 -5.788 1.00 0.54 ACSY ATOM 1660 CA LEU 98 1.055 9.704 -5.021 1.00 0.50 ACSY ATOM 1661 HA LEU 98 1.112 9.776 -3.925 1.00 0.46 ACSY ATOM 1662 CB LEU 98 1.219 8.265 -5.497 1.00 0.48 ACSY ATOM 1663 HB1 LEU 98 1.340 8.252 -6.580 1.00 0.55 ACSY ATOM 1664 HB2 LEU 98 2.129 7.848 -5.078 1.00 0.47 ACSY ATOM 1665 CG LEU 98 0.038 7.395 -5.110- 1.00 0.43 ACSY ATOM 1666 HG LEU 98 -0.873 7.896 -5.408 1.00 0.47 ACSY ATOM 1667 CDl LEU 98 0.100 6.066 -5.843 1.00 0.47 ACSY ATOM 1668 HD11 LEU 98 -0.738 5.965 -6.534 1.00 1.15 ACSY ATOM 1669 HD12 LEU 98 1.022 5.980 -6.417 1.00 1.15 ACSY ATOM 1670 HD13 LEU 98 0.058 5.239 -5.139 1.00 1.03 ACSY ATOM 1671 CD2 LEU 98 0.026 7.185 -3.598 1.00 0.35 ACSY ATOM 1672 HD21 LEU 98 0.770 6.455 -3.298 1.00 1.06 ACSY - 429 ATOM 1673 HD22 LEU 98 0.246 8.116 -3.082 1.00 0.99 ACSY ATOM 1674 HD23 LEU 98 -0.948 6.840 -3.260 1.00 0.89 ACSY ATOM 1675 C LEU 98 2.138 10.548 -5.672 1.00 0.59 ACSY ATOM 1676 O LEU 98 1.872 11.478 -6.424 1.00 0.68 ACSY ATOM 1677 N LEU 99 3.375 10.155 -5.342 1.00 0.64 ACSY ATOM 1678 HN LEU 99 3.522 9.409 -4.691 1.00 0.64 ACSY ATOM 1679 CA LEU 99 4.492 10.841 -5.957 1.00 0.74 ACSY ATOM 1680 HA LEU 99 4.332 11.912 -5.828 1.00 0.78 ACSY ATOM 1681 CB LEU 99 5.792 10.386 -5.303 1.00 0.79 ACSY ATOM 1682 HB1 LEU 99 5.589 10.060 -4.285 1.00 0.75 ACSY ATOM 1683 HB2 LEU 99 6.186 9.521 -5.839 1.00 0.82 ACSY ATOM 1684 CG LEU 99 6.841 11.497 -5.281 1.00 0.94 ACSY ATOM 1685 HG LEU 99 7.754 11.098 -4.836 1.00 1.38 ACSY ATOM 1686 CDl LEU 99 7.160 11.959 -6.700 1.00 1.40 ACSY ATOM 1687 HD11 LEU 99 7.519 11.128 -7.306 1.00 2.02 ACSY ATOM 1688 HD12 LEU 99 6.274 12.371 -7.182 1.00 1.75 ACSY ATOM 1689 HD13 LEU 99 7.930 12.730 -6.693 1.00 1.88 ACSY ATOM 1690 CD2 LEU 99 6.357 12.675 -4.431 1.00 1.40 ACSY ATOM 1691 HD21 LEU 99 7.159 13.397 -4.277 1.00 1.86 ACSY ATOM 1692 HD22 LEU 99 5.529 13.191 -4.916 1.00 1.85 ACSY ATOM 1693 HD23 LEU 99 6.017 12.335 -3.453 1.00 1.98 ACSY ATOM 1694 C LEU 99 4.478 10.492 -7.450 1.00 0.78 ACSY ATOM 1695 O LEU 99 4.691 11.328 -8.319 1.00 0.87 ACSY ATOM 1696 N ARG 100 4.202 9.187 -7.665 1.00 0.73 ACSY ATOM 1697 HN ARG 100 4.074 8.568 -6.894 1.00 0.68 ACSY ATOM 1698 CA ARG 100 4.120 8.684 -9.017 1.00 0.78 ACSY ATOM 1699 HA ARG 100 3.668 9.464 -9.635 1.00 0.82 ACSY ATOM 1700 C3 ARG 100 5.516 8.332 -9.501 1.00 0.85 ACSY ATOM 1701 HB1 ARG 100 6.226 9.084 -9.154 1.00 0.88 ACSY ATOM 1702 HB2 ARG 100 5.815 7.387 -9.055 1.00 0.83 ACSY ATOM 1703 CG ARG 100 5.575 8.227 -11.026 1.00 0.95 ACSY ATOM 1704 HG1 ARG 100 6.477 7.692 -11.320 1.00 1.53 ACSY ATOM 1705 HG2 ARG 100 4.731 7.639 -11.386 1.00 1.34 ACSY ATOM 1706 CD ARG 100 5.560 9.606 -11.684 1.00 1.59 ACSY ATOM 1707 HD1 ARG 100 6.372 10.236 -11.317 1.00 2.22 ACSY ATOM 1708 HD2 ARG 100 4.617 10.123 -11.517 1.00 2.14 ACSY ATOM 1709 NΞ ARG 100 5.724 9.481 -13.121 1.00 2.14 ACSY ATOM 1710 HE ARG 100 5.797 8.581 -13.550 1.00 2.41 ACSY ATOM 1711 CZ ARG 100 5.779 10.602 -13.865 1.00 2.96 ACSY 430 ATOM 1712 NHI ARG 100 5.932 10.517 -15.184 1.00 3.73 ACSY ATOM 1713 HH11 ARG 100 6 .007 9 .621 -15 .622 1 .00 3 .85 ACSY ATOM 1714 HH12 ARG 100 5 .973 11 .349 -15 .737 1 .00 4 .41 ACSY ATOM 1715 NH2 ARG 100 5 .680 11 .794 -13 .283 1 .00 3 .46 ACSY ATOM 1716 HH21 ARG 100 5 .565 11 .859 -12 .292 1 .00 3 .29 ACSY ATOM 1717 HH22 ARG 100 5 .721 12 .626 -13 .837 1 .00 4 .28 ACSY ATOM 1718 C ARG 100 3 .227 7 .440 -9 .018 1 .00 0 .73 ACSY ATOM 1719 O ARG 100 3 .057 6 .769 -8 .008 1 .00 0 .66 ACSY ATOM 1720 N VAL 101 2 .672 7 .184 -10 .213 1 .00 0 .78 ACSY ATOM 1721 HN VAL 101 2 .847 7 .767 -10 .997 1 .00 0 .84 ACSY ATOM 1722 CA VAL 101 1 .813 6 .038 -10 .359 1 .00 0 .76 ACSY ATOM 1723 HA VAL 101 0 .882 6 .226 -9 .800 1 .00 0 .71 ACSY ATOM 1724 CB VAL 101 1 .532 5 .858 -11 .835 1 .00 0 .85 ACSY ATOM 1725 HB VAL 101 2, .404 5 .399 -12 .291 1, .00 0 .90 ACSY ATOM 1726 CGI VAL 101 0 .361 4 .930 -12 .035 1, .00 0 .85 ACSY ATOM 1727 HGH VAL 101 0, .680 3 .892 -12 .001 1. .00 1, .38 ACSY ATOM 1728 HG12 VAL 101 •0, .384 5, .078 -11, .262 1. .00 1, .24 ACSY ATOM 1729 HG13 VAL 101 ■ 0. .100 5. .115 -12, .995 1. .00 1. .32 ACSY ATOM 1730 CG2 VAL 101 1. .267 7, .205 -12, .512 1. .00 0, .90 ACSY ATOM 1731 HG21 VAL 101 0. .415 7. .709 -12. .054 1. .00 1. .41 ACSY ATOM 1732 HG22 VAL 101 2. .133 7. .861 -12. .424 1. ,00 1. .26 ACSY ATOM 1733 HG23 VAL 101 1. .050 7. .073 -13, .572 1. .00 1. .35 ACSY ATOM 1734 C VAL 101 2. .523 4. .786 -9, .844 1. ,00 0. .72 ACSY ATOM 1735 O VAL 101 3. .678 4. .806 -9- .439 1. .00 0. .72 ACSY ATOM 1736 N LEU 102 1. ,736 3. ,704 -9. ,902 1. 00 0. .71 ACSY ATOM 1737 HN LEU 102 0. ,790 3. ,793 -10. .196 1. ,00 0. .73 ACSY ATOM 1738 CA LEU 102 2. ,261 2. ,409 -9. .513 1. ,00 0. .70 ACSY ATOM 1739 HA LEU 102 3. ,189 2. ,552 -8. ,950 1. 00 0. ,67 ACSY ATOM 1740 CB LEU 102 1. ,230 1. ,647 -8. .706 1. ,00 0. .66 ACSY ATOM 1741 HB1 LEU 102 0. ,273 1. ,720 -9. ,199 1. 00 0. .71 ACSY ATOM 1742 HB2 LEU 102 1. 490 0. 595 -8. ,697 1. 00 0. ,69 ACSY ATOM 1743 CG LEU 102 1. 116 2. 153 -7. 271 1. 00 0. 58 ACSY ATOM 1744 HG LEU 102 1. 965 1. 780 -6. 707 1. 00 0. ,59 ACSY ATOM 1745 CDl LEU 102 1. 140 3. 675 -7. ,208 1. 00 0. ,59 ACSY ATOM 1746 HD11 LEU 102 0. 303 4. 106 -7. 759 1. 00 1. 18 ACSY ATOM 1747 HD12 LEU 102 1. 073 4. 007 -6. 177 1. 00 1. ,10 ACSY ATOM 1748 HD13 LEU 102 2. 064 4. 070 -7. 622 1. 00 1. 22 ACSY ATOM 1749 CD2 LEU 102 0. 166 1. 625 -6. 634 1. 00 0. 58 ACSY ATOM 1750 HD21 LEU 102 0. 238 1. 930 -5. 591 1. 00 1. 16 ACSY - 43'1 - ATOM 1751 HD22 LEU 102 -1.043 2.004 -7.158 1.00 1.23 ACSY ATOM 1752 HD23 LEU 102 -0.199 0.539 -6.673 1 .00 1.14 ACSY ATOM 1753 C LEU 102 2.569 1.641 -10.778 1 .00 0.81 ACSY ATOM 1754 0 LEU 102 2.100 1.957 -11.864 1 .00 0.87 ACSY ATOM 1755 N THR 103 3.388 0.619 -10.562 1 .00 0.83 ACSY ATOM 1756 HN THR 103 3.745 0.435 -9.651 1 .00 0.79 ACSY ATOM 1757 CA THR 103 3.775 -0.181 -11.694 1 .00 0.94 ACSY ATOM 1758 HA THR 103 2.939 -0.178 -12.397 1, .00 0.98 ACSY ATOM 1759 CB THR 103 5.010 0.480 -12.307 1 .00 1.01 ACSY ATOM 1760 HB THR 103 5.287 1.338 -11.699 1, .00 0.96 ACSY ATOM 1761 OG1 THR 103 4.698 0.962 -13.589 1, .00 1.08 ACSY ATOM 1762 HG1 THR 103 5.148 1.791 -13.686 .00 1.35 ACSY ATOM 1763 CG2 THR 103 6.201 -0.464 -12.388 1. .00 1.18 ACSY ATOM 1764 HG21 THR 103 5.989 -1.298 -13.052 1. ,00 1.35 ACSY ATOM 1765 HG22 THR 103 7.081 0.055 -12.763 1. ,00 1.83 ACSY ATOM 1766 HG23 THR 103 6.438 -0.862 -11.402 1. ,00 1.58 ACSY ATOM 1767 C THR 103 4.071 -1.619 -11.267 1. .00 0.96 ACSY ATOM 1768 O THR 103 3.769 -2.575 -11.971 1. .00 1.04 ACSY ATOM 1769 N VAL 104 4.679 -1.704 -10.072 1. .00 0.88 ACSY ATOM 1770 HN VAL 104 4.859 -0.870 -9.533 1. 00 0.82 ACSY ATOM 1771 CA VAL 104 5.068 -3.036 -9.598 1. ,00 0.90 ACSY ATOM 1772 HA VAL 104 4.447 -3.772 -10.109 1. 00 0.98 ACSY ATOM 1773 CB VAL 104 6.549 -3.223 -9.928 1. ,00 0.96 ACSY ATOM 1774 HB VAL 104 7.089 -2.402 -9.443 1. ,00 0.92 ACSY ATOM 1775 CGI VAL 104 7.086 -4.541 -9.368 1. ,00 1.04 ACSY ATOM 1776 HG11 VAL 104 6.698 -5.390 -9.929 1. ,00 1.68 ACSY ATOM 1777 HG12 VAL 104 8.174 -4.572 -9.429 1. 00 1.20 ACSY ATOM 1778 HG13 VAL 104 6.807 -4.667 -8.325 1. ,00 1.35 ACSY ATOM 1779 CG2 VAL 104 6.803 -3.172 -11.436 1. ,00 1.10 ACSY ATOM 1780 HG21 VAL 104 5.895 -2.926 -11.978 1. ,00 1.53 ACSY ATOM 1781 HG22 VAL 104 7.559 -2.427 -11.681 1. ,00 1.38 ACSY ATOM 1782 HG23 VAL 104 7.156 -4.137 -11.800 1. ,00 1.64 ACSY ATOM 1783 C VAL 104 4.929 -3.187 -8.087 1. ,00 0.76 ACSY ATOM 1784 O VAL 104 5.117 -2.248 -7.333 1. ,00 0.65 ACSY ATOM 1785 N PRO 105 4.584 -4.441 -7.680 1. ,00 0.79 ACSY ATOM 1786 CD PRO 105 4.141 -5.492 -8.580 1. ,00 0.94 ACSY ATOM 1787 HD1 PRO 105 4.956 -5.801 -9.229 1. ,00 1.00 ACSY ATOM 1788 HD2 PRO 105 3.323 -5.131 -9.202 1. ,00 1.01 ACSY ATOM 1789 CA PRO 105 4.526 -4.805 -6.277 1. ,00 0.70 ACSY 432 - ATOM 1790 HA PRO 105 3.974 -4.055 -5.720 1.00 0.64 ACSY ATOM 1791 CB PRO 105 3.848 -6.170 -6.222 1.00 0.82 ACSY ATOM 1792 HB1 PRO 105 4.435 -6.878 -5.639 1.00 0.81 ACSY ATOM 1793 HB2 PRO 105 2.887 -6.081 -5.741 1.00 0.86 ACSY ATOM 1794 CG PRO 105 3.684 -6.645 -7.676 1.00 0.97 ACSY ATOM 1795 HG1 PRO 105 4.286 -7.535 -7.858 1.00 1.02 ACSY ATOM 1796 HG2 PRO 105 2.644 -6.902 -7.880 1.00 1.06 ACSY ATOM 1797 C PRO 105 5.959 -4.892 -5.745 1.00 0.65 ACSY ATOM 1798 O PRO 105 6.827 -5.503 -6.355 1.00 0.71 ACSY ATOM 1799 N CYS 106 6.152 -4.263 -4.585 1.00 0.58 ACSY ATOM 1800 HN CYS 106 5.383 -3.882 -4.072 1.00 0.57 ACSY ATOM 1801 CA CYS 106 7.509 -4.211 -4.069 1.00 0.61 ACSY ATOM 1802 HA CYS 106 8.176 -4.252 -4.931 1.00 0.64 ACSY ATOM 1803 CB CYS 106 7.712 -2.909 -3.322 1.00 0.74 ACSY ATOM 1804 HB1 CYS 106 7.750 -2.086 -4.022 1.00 1.16 ACSY ATOM 1805 HB2 CYS 106 6.872 -2.721 -2.665 1.00 0.97 ACSY ATOM 1806 SG CYS 106 9.228 -2.923 -2.337 1.00 1.05 ACSY ATOM 1807 HG CYS 106 8.949 -2.555 -1.085 1.00 1.70 ACSY ATOM 1808 C CYS 106 7.846 -5.370 -3.154 1.00 0.66 ACSY ATOM 1809 O CYS 106 8.734 -6.167 -3.429 1.00 0.80 ACSY ATOM 1810 N GLN 107 7.109 -5.378 -2.035 1.00 0.66 ACSY ATOM 1811 HN GLN 107 6.392 -4.706 -1.893 1.00 0.68 ACSY ATOM 1812 CA GLN 107 7.354 -6.380 -1.035 1.00 0.77 ACSY ATOM 1813 HA GLN 107 8.163 -6.001 -0.405 1.00 0.87 ACSY ATOM 1814 CB GLN 107 6.118 -6.573 -0.207 1.00 0.88 ACSY ATOM 1815 HB1 GLN 107 5.433 -5.770 -0.402 1.00 0.88 ACSY ATOM 1816 HB2 GLN 107 5.627 -7.483 -0.508 1.00 0.93 ACSY ATOM 1817 CG GLN 107 6.448 -6.608 1.278 1.00 1.08 ACSY ATOM 1818 HG1 GLN 107 7.149 -5.810 1.520 1.00 1.10 ACSY ATOM 1819 HG2 GLN 107 5.555 -6.456 1.869 1.00 1.31 ACSY ATOM 1820 CD GLN 107 7.062 -7.954 1.664 1.00 1.41 ACSY ATOM 1821 OEI GLN 107 6.721 -8.999 1.125 1.00 2.03 ACSY ATOM 1822 NE2 GLN 107 7.988 -7.852 2.634 1.00 1.85 ACSY ATOM 1823 HE21 GLN 107 8.215 -6.962 3.030 1.00 2.21 ACSY ATOM 1824 HE22 GLN 107 8.463 -8.663 2.974 1.00 2.23 ACSY ATOM 1825 C GLN 107 7.794 -7.697 -1.634 1.00 0.83 ACSY ATOM 1826 O GLN 107 7.599 -8.015 -2.801 1.00 0.90 ACSY ATOM 1827 N LYS 108 8.369 -8.437 -0.701 1.00 0.89 ACSY ATOM 1828 HN LYS 108 8.418 -8.089 0.238 1.00 0.91 ACSY - 433 - ATOM 1829 CA LYS 108 8.908 -9.729 -1.026 1.00 1.00 ACSY ATOM 1830 HA LYS 108 9.706 -9.569 -1.756 1 .00 1 .10 ACSY ATOM 1831 CB LYS 108 9.468 -10.322 0.245 1 .00 0 .99 ACSY ATOM 1832 HB1 LYS 108 8.818 -10.086 1.087 1 .00 1 .06 ACSY ATOM 1833 HB2 LYS 108 9.512 -11.409 0.166 1 .00 1 .62 ACSY ATOM 1834 CG LYS 108 10.850 -9.764 0.480 1 .00 1 .43 ACSY ATOM 1835 HG1 LYS 108 11.522 -10.228 -0.226 1 .00 2 .09 ACSY ATOM 1836 HG2 LYS 108 10.853 -8.697 0.259 1 .00 1 .80 ACSY ATOM 1837 CD LYS 108 11.331 -9.989 1.909 1 .00 1 .58 ACSY ATOM 1838 HD1 LYS 108 12.248 -9.422 2.074 1, .00 1, .75 ACSY ATOM 1839 HD2 LYS 108 10.590 -9.596 2.606 1. .00 1, .59 ACSY ATOM 1840 CE LYS 108 11.581 -11.470 2.199 1, .00 1. .99 ACSY ATOM 1841 HEI LYS 108 11.877 -11.611 3.238 1, .00 2. .24 ACSY ATOM 1842 HE2 LYS 108 10.675 -12.052 2.030 1, .00 2. .32 ACSY ATOM 1843 NZ LYS 108 12.633 -12.031 1.359 1, .00 2, .54 ACSY ATOM 1844 HZ1 LYS 108 12.315 -12.047 0.369 1. .00 2. .99 ACSY ATOM 1845 HZ2 LYS 108 13.489 -11.446 1.439 1. .00 2. .75 ACSY ATOM 1846 HZ3 LYS 108 12.845 -13.000 1.672 1. .00 2. .98 ACSY ATOM 1847 C LYS 108 7.874 -10.654 -1.631 1. ,00 1. .21 ACSY ATOM 1848 O LYS 108 6.720 -10.310 -1.854 1. ,00 1. .28 ACSY ATOM 1849 N ILE 109 8.401 -11.863 -1.875 1. ,00 1. ,48 ACSY ATOM 1850 HN ILE 109 9.363 -12.046 -1.647 1. .00 1. ,55 ACSY ATOM 1851 CA ILE 109 7.566 -12.890 -2.464 1. .00 1. .78 ACSY ATOM 1852 HA ILE 109 6.748 -12.385 -2.982 1. .00 1. .89 ACSY ATOM 1853 CB ILE 109 8.394 -13.727 -3.439 1. ,00 2. .08 ACSY ATOM 1854 HB ILE 109 9.120 -14.307 -2.865 1. ,00 2. .22 ACSY ATOM 1855 CG2 ILE 109 7.495 -14.698 -4.206 1. ,00 2. ,57 ACSY ATOM 1856 HG21 ILE 109 6.458 -14.363 -4.189 1. ,00 2. ,80 ACSY ATOM 1857 HG22 ILE 109 7.535 -15.697 -3.774 1. ,00 2. ,99 ACSY ATOM 1858 HG23 ILE 109 7.807 -14.772 -5.248 1. .00 3. ,08 ACSY ATOM 1859 CGI ILE 109 9.151 -12.856 -4.423 1. .00 2. .79 ACSY ATOM 1860 HGH ILE 109 9.511 -13.493 -5.221 1. ,00 3. ,11 ACSY ATOM 1861 HG12 ILE 109 8.476 -12.128 -4.874 1. ,00 3. ,35 ACSY ATOM 1862 CDl ILE 109 10.333 -12.138 -3.768 1. ,00 3. .27 ACSY ATOM 1863 HD11 ILE 109 10.720 -12.713 -2.927 1. ,00 3. .76 ACSY ATOM 1864 HD12 ILE 109 11.144 -11.997 -4.482 1. .00 3. .43 ACSY ATOM 1865 HD13 ILE 109 10.038 -11.156 -3.399 1. .00 3. .61 ACSY ATOM 1866 C ILE 109 6.992 -13.779 -1.358 1. .00 1. .95 ACSY ATOM 1867 O ILE 109 6.314 -13.325 -0.445 1. ,00 2. .27 ACSY 434 ATOM 1868 N GLY 110 7.318 -15.075 -1.515 1.00 2.16 ACSY ATOM 1869 HN GLY 110 7.881 -15.361 -2.302 1.00 2.31 ACSY ATOM 1870 CA GLY 110 6.846 -16.042 -0.543 1.00 2.55 ACSY ATOM 1871 HA1 GLY 110 6.075 -16.645 -1.024 1.00 2.98 ACSY ATOM 1872 HA2 GLY 110 6.405 -15.489 0.286 1.00 2.78 ACSY ATOM 1873 C GLY 110 7.992 -16.927 -0.050 1.00 2.95 ACSY ATOM 1874 O GLY 110 8.812 -16.529 0.768 1.00 3.24 ACSY ATOM 1875 N THR 111 7.988 -18.152 -0.608 1.00 3.69 ACSY ATOM 1876 HN THR 111 7.275 -18.429 -1.240 1.00 3.93 ACSY ATOM 1877 CA THR 111 9.006 -19.093 -0.237 1.00 4.59 ACSY ATOM 1878 HA THR 111 9.294 -18.873 0.792 1.00 4.56 ACSY ATOM 1879 CB THR 111 8.406 -20.497 -0.351 1.00 5.48 ACSY ATOM 1880 HB THR 111 8.823 -21.017 -1.202 1.00 5.47 ACSY ATOM 1881 OG1 THR 111 7.016 -20.413 -0.568 1.00 6.29 ACSY ATOM 1882 HG1 THR 111 6.733 -19.585 -0.204 1.00 6.55 ACSY ATOM 1883 CG2 THR 111 8.659 -21.301 0.902 1.00 6.06 ACSY ATOM 1884 HG21 THR 111 9.727 -21.403 1.081 1.00 6.29 ACSY ATOM 1885 HG22 THR 111 8.229 -22.295 0.812 1.00 6.36 ACSY ATOM 1886 HG23 THR 111 8.213 -20.810 1.765 1.00 6.33 ACSY ATOM 1887 C THR 111 10.223 -18.920 -1.152 1.00 5.25 ACSY ATOM 1888 O THR 111 11.188 -18.242 -0.821 1.00 5.77 ACSY ATOM 1889 N GLN 112 10.106 -19.575 -2.315 1.00 5.59 ACSY ATOM 1890 HN GLN 112 9.300 -20.129 -2.502 1.00 5.45 ACSY ATOM 1891 HA GLN 112 12.023 -19.036 -2.761 1.00 6.65 ACSY ATOM 1892 CB GLN 112 11.526 -20.900 -3.757 1.00 7.76 ACSY ATOM 1893 HB1 GLN 112 10.613 -21.428 -4.033 1.00 7.73 ACSY ATOM 1894 HB2 GLN 112 12.131 -20.835 -4.654 1.00 8.48 ACSY ATOM 1895 CG GLN 112 12.273 -21.693 -2.685 1.00 8.32 ACSY ATOM 1896 HG1 GLN 112 11.671 -21.777 -1.780 1.00 8.37 ACSY ATOM 1897 HG2 GLN 112 13.206 -21.195 -2.418 1.00 8.00 ACSY ATOM 1898 CD GLN 112 12.590 -23.098 -3.202 1.00 9.59 ACSY ATOM 1899 OEI GLN 112 12.590 -23.363 -4.398 1.00 10.22 ACSY ATOM 1900 NE2 GLN 112 12.859 -23.973 -2.216 1.00 10.08 ACSY ATOM 1901 HE21 GLN 112 12.840 -23.684 -1.259 1.00 9.69 ACSY ATOM 1902 HE22 GLN 112 13.081 -24.925 -2.425 1.00 10.94 ACSY ATOM 1903 C GLN 112 10.750 -18.616 -4.449 1.00 6.55 ACSY ATOM 1904 OCT1 GLN 112 10.566 -19.149 -5.543 1.00 6.59 ACSY ATOM 1905 OCT2 GLN 112 10.606 -17.410 -4.259 1.00 6.79 ACSY ATOM 1906 CA GLN 112 11.179 -19.495 -3.273 1.00 6.56 ACSY 435 END *Note: See copyright notice on page 1. 436 - SEQUENCE LISTING ) GENERAL INFORMATION : ( i ) APPLICANT : ARIAD PHARMACEUTICALS , INC . ( ii ) TITLE OF INVENTION : CRYSTALLINE ZAP-FAMILY PROTEINS ( iii ) NUMBER OF SEQUENCES : 25 (iv) CORRESPONDENCE ADDRESS: (A) ADDRESSEE: David L. Berstein, ARIAD Pharmaceuticals, Inc. (B) STREET: 26 Landsdowne Street (C) CITY: Cambridge (D) STATE: Massachusetts (E) COUNTRY: USA (F) ZIP: 02139-4234 (v) COMPUTER READABLE FORM: (A) MEDIUM TYPE: Floppy disk (B) COMPUTER: IBM PC compatible (C) OPERATING SYSTEM: PC-DOS/MS-DOS (D) SOFTWARE: Patentin Release #1.0, Version #1.30 (vi) CURRENT APPLICATION DATA: (A) APPLICATION NUMBER: PCT/US96/13918 (B) FILING DATE: 30-AUG-1996 (C) CLASSIFICATION: (vii) PRIOR APPLICATION DATA: (A) APPLICATION NUMBER: US 60/002,972 (B) FILING DATE: 30-AUG-1995 (vii) PRIOR APPLICATION DATA: (A) APPLICATION NUMBER: US 60/003,312 (B) FILING DATE: 06-SEP-1995 (viii) ATTORNEY/AGENT INFORMATION: - 437 - (A) NAME: BERSTEIN, David L. (B) REGISTRATION NUMBER: 31,235 (C) REFERENCE/DOCKET NUMBER: 347C-PCT (ix) TELECOMMUNICATION INFORMATION: (A) TELEPHONE: 617-494-0400 (B) TELEFAX: 617-494-0208 (2) INFORMATION FOR SEQ ID NO:l: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 15 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (xi) SEQUENCE DESCRIPTION: SEQ ID NO:l: Tyr Xaa Xaa Leu Xaa Xaa Xaa Xaa Xaa Xaa Xaa Tyr Xaa Xaa Leu 1 5 10 15 (2) INFORMATION FOR SEQ ID NO:2: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac 438 - ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product *** "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 (D) OTHER INFORMATION: /product= "amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:2: Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr Tyr 1 5 10 15 Glu Thr Leu Lys (2) INFORMATION FOR SEQ ID NO:3: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 15 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: - 439 (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 12 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product *** "amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:3: Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr Tyr Glu Thr Leu 1 5 10 15 (2) INFORMATION FOR SEQ ID NO:4: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 25 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide - 440 ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY : Modif ied-site ( B) LOCATION: 4 (D) OTHER INFORMATION : /product*** "phosphotyrosine" / label= pTyr /note= "phosphorylated" ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product ' * ** "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:4: Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr Tyr Glu 1 5 10 15 Thr Leu Lys His Glu Lys Pro Pro Gin 20 25 (2) INFORMATION FOR SEQ ID NO:5: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 27 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide 441 (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 6 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 17 (D) OTHER INFORMATION: /product * - * "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:5: Lys Ser Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr 1 5 10 15 Tyr Glu Thr Leu Lys His Glu Lys Pro Pro Gin 20 25 (2) INFORMATION FOR SEQ ID NO:6: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: 442 (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product *** "phosphotyrosine" /label *** pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO: 6: Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:7: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single 443 ( D) TOPOLOGY : linear ( ii ) MOLECULE TYPE : peptide ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 3 (D) OTHER INFORMATION: /product * * * "phosphotyrosine" /label *** pTyr /note= "phosphorylated" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 11 (D) OTHER INFORMATION: /product= "Norleucine" /label= Nle (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:7: 444 - Gly Leu Tyr Asn Glu Leu Gin Lys Asp Lys Xaa Ala Glu Ala Tyr Ser 1 5 10 15 Glu Ile Gly (2) INFORMATION FOR SEQ ID NO:8: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION : /product *** "phosphotyrosine ' / label= pTyr /note= "phosphorylated tyrosine " (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 445 (D) OTHER INFORMATION : /product= " Amidated" / label = NH2 (xi ) SEQUENCE DESCRIPTION : SEQ ID NO : 8 : Asp Gly Leu Tyr Gin Gly Leu Ser Thr Ala Thr Lys Asp Thr Tyr Asp 1 5 10 15 Ala Leu His (2) INFORMATION FOR SEQ ID NO:9: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 16 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 3 (D) OTHER INFORMATION: /product= p-Iodo-L- Phenylalanine" /label= pl-Phe 446 ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 12 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 16 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:9: Asn Gin Xaa Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:10: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: - 447 - (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product= "difluorophosphono methyl phenylalanine" /label= F2Pmp (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product *** "difluorophosphono methyl phenyla1anine" /label= F2Pmp (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 19 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:10: Asn Gin Leu Phe Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Phe Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:11: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 16 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site - 448 - (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product * - * "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 12 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 16 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:11: Asp Gly Val Tyr Thr Gly Leu Ala Ala Ala Ala Tyr Glu Thr Leu Lys 1 5 10 15 (2) INFORMATION FOR SEQ ID NO:12 : (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 4 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide 449 - ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:12: Tyr Xaa Xaa Leu 1 (2) INFORMATION FOR SEQ ID NO:13: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 4 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 3 (D) OTHER INFORMATION: /product= "N-methyl glycine" - 450 - /label= nmGly (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product * -- "N-methyl leucine" /label= nmLeu (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO: 13: Tyr Thr Gly Leu 1 (2) INFORMATION FOR SEQ ID NO:14: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= pTyr /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 - 451 - (D) OTHER INFORMATION: /product= "phosphotyrosine " /label= pTyr /note= "phosphorylated tyrosine " (xi ) SEQUENCE DESCRIPTION : SEQ ID NO : 14 : Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:15: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= TyrP04 /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= TyrP04 /note= "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:15: Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp - 452 - 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:16: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 22 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 7 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label ** * TyrP04 /note= "phosphorylated tyrosine " ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 18 (D) OTHER INFORMATION: /product= "phosphotyrosine* /label= TyrP04 /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 22 (D) OTHER INFORMATION: /product= "Amidated" - 453 - /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:16: Lys Gly Gly Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu 1 5 10 15 Glu Tyr Asp Val Leu Asp 20 (2) INFORMATION FOR SEQ ID NO:17: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= TyrP04 /note= "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:17: Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu Glu Tyr Asp 1 5 10 15 Val Leu Asp (2) INFORMATION FOR SEQ ID NO:18: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 22 amino acids 454 (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear ( ii ) MOLECULE TYPE : peptide ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 1 (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 18 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= TyrP04 /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 22 (D) OTHER INFORMATION: /product= "Amidated" /label= NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:18: Lys Gly Gly Asn Gin Leu Tyr Asn Glu Leu Asn Leu Gly Arg Arg Glu 1 5 10 15 Glu Tyr Asp Val Leu Asp 20 (2) INFORMATION FOR SEQ ID NO:19: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 19 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single - 455 (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 4 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= TyrP04 /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 15 (D) OTHER INFORMATION: /product* ** "phosphotyrosine" /label= TyrP04 /note= "phosphorylated tyrosine" (xi) SEQUENCE DESCRIPTION: SEQ ID NO:19: Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu Thr Tyr Glu 1 5 10 15 Thr Leu Lys (2) INFORMATION FOR SEQ ID NO:20: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 22 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: peptide (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 1 456 - (D) OTHER INFORMATION: /product= "Acetylated" /label= Ac ( ix) FEATURE : (A) NAME/KEY: Modified-site (B) LOCATION: 7 (D) OTHER INFORMATION: /product= "phosphotyrosine" /label= TyrP04 /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 18 (D) OTHER INFORMATION : /product= "phosphotyrosine" /label= TyrP04 /note= "phosphorylated tyrosine" (ix) FEATURE: (A) NAME/KEY: Modified-site (B) LOCATION: 22 (D) OTHER INFORMATION: /product= "Amidated" /label*** NH2 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:20: Cys Gly Gly Asp Gly Val Tyr Thr Gly Leu Ser Thr Arg Asn Gin Glu 1 5 10 15 Thr Tyr Glu Thr Leu Lys 20 (2) INFORMATION FOR SEQ ID NO:21: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 98 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear - 457 ( ii ) MOLECULE TYPE : protein (v) FRAGMENT TYPE : internal (xi ) SEQUENCE DESCRIPTION: SEQ ID NO : 21 : Trp Tyr Phe Gly Lys Ile Thr Arg Arg Glu Ser Glu Arg Leu Leu Leu 1 5 10 15 Asn Pro Glu Asn Pro Arg Gly Thr Phe Leu Val Arg Glu Ser Glu Thr 20 25 30 Thr Lys Gly Ala Tyr Cys Leu Ser Val Ser Asp Phe Asp Asn Ala Lys 35 40 45 Gly Leu Asn Val Lys His Tyr Lys Ile Arg Lys Leu Asp Ser Gly Gly 50 55 60 Phe Tyr Ile Thr Ser Arg Thr Gin Phe Asn Ser Leu Gin Gin Leu Val 65 70 75 80 Ala Tyr Tyr Ser Lys His Ala Asp Gly Leu Cys His Arg Leu Thr Thr 85 90 95 Val Cys (2) INFORMATION FOR SEQ ID NO:22: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 98 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (v) FRAGMENT TYPE: internal - 458 (xi) SEQUENCE DESCRIPTION: SEQ ID NO:22: . Trp Phe Phe Lys Asn Leu Ser Arg Lys Asp Ala Glu Arg Gin Leu Leu 1 5 10 15 Ala Pro Gly Asn Thr His Gly Ser Phe Leu Ile Arg Glu Ser Glu Ser 20 25 30 Thr Ala Gly Ser Phe Ser Leu Ser Val Arg Asp Phe Asp Gin Asn Gin 35 40 45 Gly Glu Val Val Lys His Tyr Lys Ile Arg Asn Leu Asp Asn Gly Gly 50 55 60 Phe Tyr Ile Ser Pro Arg Ile Thr Phe Pro Gly Leu His Glu Leu Val 65 70 75 80 Arg His Tyr Thr Asn Ala Ser Asp Gly Leu Cys Thr Arg Leu Ser Arg 85 90 95 Pro Cys (2) INFORMATION FOR SEQ ID NO:23: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 97 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (v) FRAGMENT TYPE: internal (xi) SEQUENCE DESCRIPTION: SEQ ID NO:23: Trp Phe His Pro Asn Ile Thr Gly Val Glu Ala Glu Asn Leu Leu Leu 1 5 10 15 459 Thr Arg Gly Val Asp Gly Ser Phe Leu Ala Arg Pro Ser Lys Ser Asn 20 25 30 Pro Gly Asp Phe Thr Leu Ser Val Arg Arg Asn Gly Ala Val Thr His 35 40 45 Ile Lys Ile Gin Asn Thr Gly Asp Tyr Tyr Asp Leu Tyr Gly Gly Glu 50 55 60 Lys Phe Ala Thr Leu Ala Glu Leu Val Gin Tyr Tyr Met Glu His His 65 70 75 80 Gly Gin Leu Lys Glu Lys Asn Gly Asp Val Ile Glu Leu Lys Tyr Pro 85 90 95 Leu (2) INFORMATION FOR SEQ ID NO:24: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 93 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (v) FRAGMENT TYPE: internal (xi) SEQUENCE DESCRIPTION: SEQ ID NO:24: Phe Phe Tyr Gly Ser Ile Ser Arg Ala Glu Ala Glu Glu His Leu Lys 1 5 10 15 Leu Ala Gly Met Ala Asp Gly Leu Phe Leu Leu Arg Gin Cys Leu Arg 20 25 30 460 - Ser Leu Gly Gly Tyr Val Leu Ser Leu Val His Asp Val Arg Phe His 35 40 45 His Phe Pro Ile Glu Arg Gin Leu Asn Gly Thr Tyr Ala Ile Ala Gly 50 55 60 Gly Lys Ala His Cys Gly Pro Ala Glu Leu Cys Glu Phe Tyr Ser Arg 65 70 75 80 Asp Pro Asp Gly Leu Pro Cys Asn Leu Arg Lys Pro Cys 85 90 (2) INFORMATION FOR SEQ ID NO:25: (i) SEQUENCE CHARACTERISTICS: (A) LENGTH: 92 amino acids (B) TYPE: amino acid (C) STRANDEDNESS: single (D) TOPOLOGY: linear (ii) MOLECULE TYPE: protein (v) FRAGMENT TYPE: internal (xi) SEQUENCE DESCRIPTION: SEQ ID NO:25: Trp Tyr His Ser Ser Leu Thr Arg Glu Glu Ala Glu Arg Lys Leu Tyr 1 5 10 15 Ser Gly Ala Gin Thr Asp Gly Lys Phe Leu Leu Arg Pro Arg Lys Glu 20 25 30 Gin Gly Thr Tyr Ala Leu Ser Leu Ile Tyr Gly Lys Thr Val Tyr His 35 40 45 Tyr Leu Ile Ser Gin Asp Lys Ala Gly Lys Tyr Cys Ile Pro Glu Gly 50 55 60 Thr Lys Phe Asp Thr Leu Trp Gin Leu Val Glu Tyr Leu Lys Leu Lys 461 65 70 75 80 Ala Asp Gly Leu Ile Tyr Cys Leu Lys Glu Ala Cys 85 90 - 462

Claims: Claims 1 . A composition comprising a protein in crystalline form containing a peptide sequence comprising a tandem SH2 region of a ZAP family protein or a portion thereof. 2. A composition of claim 1 which further comprises one or more heavy metal atoms. 3. A composition of claim 1 wherein the protein comprises a region characterized by the coordinates of Appendix I, Appendixll, Appendix III, or Appendix IV, or coordinates having a root mean square deviation therefrom, with respect to backbone atoms of the Iisted amino acids, of not more than 1.5 A. 4. A composition of claim 1 in which the protein is in a complex with one or more ligand molecules. 5. A composition of claim 1 in which the protein comprises the tandem SH2 region of human ZAP-70 (spanning at least amino acid residues 3 through 279) or the tandem SH2 region of human SYK (spanning at least amino acid residues 6 through 265). 6. A composition of any of claims 1-5 which diffracts x-rays to a resolution of greater than about 3.5 A. 7. A method for determining the three-dimensional structure of a protein containing an SH2 domain, or a co-complex of the protein with a ligand therefor, which comprises ( a ) obtaining x-ray diffraction data for crystals of the protein or co-complex, ( b ) providing three-dimensional structural coordinates for a composition of any of claims 1 -6, and ( c ) determining the three-dimensional structure of the SH2 domain-containing protein or co-complex by analyzing the x-ray diffraction data with reference to the previous structural coordinates using molecular replacement. 8. A method of claim 7 wherein the protein is a co-complex of ZAP-NC, or a portion thereof, with a ligand other than the ζ1 peptide. 9. A method of claim 7 wherein the protein is a co-complex of SYK-NC, or a portion thereof, with a ligand therefor. - 463 - 1 0. A method for determining the three dimensional structure of a protein containing an SH2 domain or co-complex of said protein with a ligand therefor, which method comprises: ( a ) providing structural coordinates for a composition of any of claims 1-6, and ( b ) determining the three-dimensional structure of the SH2 domain-containing protein or co-complex by homology modeling with reference to the previous structural coordinates. 1 1 . A method for selecting a compound capable of binding to a ZAP family protein which comprises: ( a ) providing coordinates defining the three dimensional structure of a ZAP family protein or a portion thereof; ( b ) characterizing points associated with that three dimensional structure with respect to the favorability of interactions with one or more selected functional groups; ( c ) providing a database of one or more candidate compounds; and ( d ) identifying from the database those compounds having structures which best fit the points of favorable interaction with the three dimensional structure. 1 2. A method of claim 11 which further comprises testing a compound so identified for its ability to: ( a ) bind to a ZAP famiiy protein, ( b ) inhibit the binding of a ZAP famiiy protein to a natural or non-natural ligand therefor, and/or ( c ) inhibit a biological function mediated by a ZAP family member. 1 3. A machine-readable data storage medium, comprising a data storage material encoded with machine readable data which, when using a machine programmed with instructions for using said data, is capable of displaying a graphical three-dimensional representation of a molecule or molecular complex comprising a protein of any of claims 1 -6, or a portion thereof. - 464 - 1 4. A machine-readable data storage medium, comprising a data storage material encoded with machine readable data which, when using a machine programmed with instructions for using said data, is capable of displaying a graphical three-dimensional representation of a ZAP family protein or ZAP famiiy protein:ligand complex or portion thereof based on the coordinates of Appendix I, Appendix II, or Appendix III, or based on coordinates having a root mean square deviation therefrom with respect to conserved protein backbone atoms of not more than 1.5 A. 1 5. A machine-readable data storage medium comprising a data storage material encoded with a first set of machine readable data which, when combined with a second set of machine- readable data, using a machine programmed with instructions for using said first set of data and said second set of data, can determine at least a portion of the coordinates corresponding to the second set of machine-readable data, wherein: said first set of data comprises a Fourier transform of at least a portion of the coordinates according to Appendix I, Appendix II, Appendix ill or Appendix IV; and said second set of data comprises an X-ray diffraction pattern of a molecule or molecular complex. 1 6. A method for displaying a three dimensional representation of a composition of any of claims 1 -6 which comprises: ( a ) providing a machine capable of reading data stored on a machine-readable storage medium of claim 13, programmed with instructions for using said data to display a graphical three-dimensional representation of a protein or protein:iigand complex or portion thereof defined by said data, and loaded with a machine-readable storage medium of claim 13; and, ( b ) permitting the machine to read said data and display the three-dimensional representation. 1 7. A method for designing a compound capable of binding to a ZAP family protein that comprises: ( a ) graphically displaying a three-dimensional representation based on coordinates defining the three-dimensional structure of a ZAP family protein or a portion thereof; ( b ) characterizing the interactions between portions of a ligand that is known to bind to the protein to identify candidate moieties for replacement; ( c ) providing a knowledge base of one or more candidate substitute moieties; and - 465 ( d ) identifying from the knowledge base one or more substitute moieties which may be used to replace one or more selected portions of the ligand and retain at least a portion of the ligand's binding affinity for the protein. 1 8. A method for designing a compound capable of binding to a ZAP famiiy protein that comprises: ( a ) providing coordinates defining the three-dimensional structure of a ZAP family protein or a portion thereof; ( b ) characterizing points associated with that three-dimensional structure to identify preferred points with respect to the favorability of interactions of one or more selected functional groups with the protein; ( c ) characterizing one or more portions of a ligand that is known to bind to the protein that are proximal to the characterized points; ( d ) providing a knowledge base of one or more molecular fragments or molecules; ( e ) identifying from the knowledge base one or more fragments or molecules that permit connection of preferred points identified in (b) to portions of the ligand; and ( f ) modifying the structure of the ligand by the covalent attachment thereto of one or more such fragments or molecules so identified in an orientation and location selected to permit the modified ligand to bind to the protein. 1 9. A method for determining the orientation of a iigand bound to a ZAP family protein that comprises: ( a ) providing coordinates defining the three-dimensional structure of a ZAP famiiy protein or a portion thereof; ( b ) characterizing points associated with that three-dimensional structure to identify preferred points with respect to the favorability of interactions of one or more selected functional groups with the protein; ( c ) anchoring one or more functional groups of a ligand known to bind to the protein, the bound conformation of the ligand being unknown, at selected sites consistent with the preferred points of functional group interaction identified in (b); and, - 466 - ( d ) performing modeling calculations to generate a series of alternative conformations and/or orientations for the anchored ligand. 20. A method for designing a compound capable of binding to a ZAP family protein that comprises: ( a ) selecting a protein:ligand conformation and/or orientation identified by the method of claim 19; ( b ) characterizing the interactions between portions of the ligand and the protein to identify candidate moieties of the iigand for replacement; ( c ) providing a knowledge base of one or more candidate substitute moieties; and ( d ) identifying from the knowledge base one or more substitute moieties which may be used to replace one or more selected portions of the ligand and retain at least a portion of the ligand's binding affinity for the protein. 21 . A method for designing a compound capable of binding to a ZAP family protein that comprises: ( a ) selecting a protein:ligand conformation and/or orientation identified by the method of claim 19; ( b ) characterizing points associated with the three-dimensional structure of the protein to identify preferred points with respect to the favorability of interactions of one or more selected functional groups with the protein; ( c ) characterizing one or more portions of a ligand that is known to bind to the protein that are proximal to the characterized points; ( d ) providing a knowledge base of one or more molecular fragments or molecules; ( e ) identifying from the knowledge base one or more fragments or molecules that permit connection of preferred points identified in (b) to portions of the ligand; and - 467 - ( f ) modifying the structure of the ligand by the covalent attachment thereto of one or more such fragments or molecules so identified in an orientation and location selected to permit the modified ligand to bind to the protein. 22. A method for selecting or designing a compound capable of binding to a ZAP family protein that comprises any combination of steps as described in claims 17-21. 468

Inventors: HATADA MARCOS H, HOLT DENNIS A, KARAS JENNIFER L, LAIRD ELLEN R, LU XIAODE, ZOLLER MARK J, HATADA, MARCOS, H., HOLT, DENNIS, A., KARAS, JENNIFER, L., LAIRD, ELLEN, R., LU, XIAODE, ZOLLER, MARK, J.
Applicants: ARIAD PHARMA INC, ARIAD PHARMACEUTICALS, INC.
Application year: 1996
Main classification: C12N9
IPC codes: A61K31, A61K38, A61P37, C07K1, C12N9, G01N33