Three-Dimensional Structures of HDAC9 and Cabinl and Compound Structures and Methods Related Thereto FIELD OF THE INVENTION This invention generally relates to three-dimensional structures of histone deacetylase 9 (HDAC9) and Cabinl, to methods of using such structures to design and identify compounds that regulate the interaction of HDACs and/or Cabinl with their ligands, and to compounds designed or identified thereby that regulate the interaction of HDACs and/or Cabinl with their ligands.

BACKGROUND OF THE INVENTION Myocyte enhancer factor-2 (MEF2) plays critical roles in the development and adaptive responses of the muscle, immune and nervous systems. MEF2 has been implicated as a key regulator of hypertrophic responses in heart muscle cells. Heart hypertrophy induced by pathological stimuli can lead to heart failure in many forms of cardiovascular diseases. MEF2 generally defines a family of transcription factors with four members: MEF2A, MEF2B, MEF2C and MEF2D. The importance of their function has been demonstrated in detail through the use of murine and Drosophila genetics. MEF2, in skeletal muscles where it was initially identified, together with myogenic basic helix-loop-helix transcription factors such as MyoD, promotes and maintains myogenesis (Molkentin, 1996). MEF2 is now known to be a general transcriptional factor in many other cell types. For instance, MEF2 is one of the important transcriptional factors for mediating calcium signaling in lymph system development (Youn, 2000; Youn, 2000). MEF2A, one member of the MEF2 family, has recently been coined as the"heart attack gene"because a mutation in this protein is linked to coronary artery disease (CAD) and myocardial infarction (MI). These findings underlie a critical role of MEF2 in human heart diseases.

Inside cells, the action of MEF2 includes three distinct steps : (i) transcriptional repression; (ii) calcium-dependent de-repression; and (iii) transcription activation.

Transcriptional repression by MEF2 depends on its association with a variety of transcriptional co-repressors with intrinsic or associated histone deacetylase (HDAC) activity. In muscle cells, MEF2 binds directly to class II HDACs such as HDAC4, HDAC5, and HDAC9 and inhibits the expression of specific genes involved in the

development and adaptive responses of muscle. Mice in which HDAC5 or HDAC9 has been knocked out showed increased sensitivity to hypertrophic stimuli, suggesting important roles of class II HDACs in heart hypertrophy (Zhang et al., 2002). These and other data indicate that MEF2 and Class II histone deacetylases (HDACs), and particularly HDAC5 and HDAC9, are key mediators of hypertrophic signals in cardiomyocytes. Extensive biochemical and functional studies have suggested that the MEF2/class II HDAC pathway is potential therapeutic target for heart hypertrophy.

In response to specific cellular signals, MEF2 turns on distinct programs by association with a variety of transcriptional activators and co-activators (McKinsey et <BR> <BR> al. , 2002). MEF2 has a highly conserved N-terminal region (residues 2-93, with reference to SEQ ID NO : 2), consisting of the well-characterized MADS-box and a <BR> <BR> MEF2-specific domain (Shore et al. , 1995). The MADS-box/MEF2 domain is remarkably rich in function, mediating DNA binding, dimerization, and protein- protein interactions with a myriad of MEF2 transcription partners (see McKinsey et <BR> <BR> al. , 2002 for review). It has been shown that the MADS-box/MEF2 domain in MEF2 is necessary and sufficient to bind with a small motif of class II HDACs (Miska et al., 1999; Sparrow et al. , 1999; Youn et al. , 1999; Youn et al. , 2000).

Histone acetylase and deacetylase are components of essential regulatory mechanisms for gene expression. Mammalian HDACs are categorized into three classes by homology to yeast hdal and Rpd3. Class II histone deacetylases (HDACs), including HDAC4, HDAC5, HDAC7 and HDAC9, have unique N-terminal regulatory domains that are not found in other HDACs, in addition to a catalytic domain. This class of HDACs targets downstream transcriptional factors such as MEF2 and recruits class I HDACs or other co-factors to enhance their suppression.

Notably, MEF2 interacting transcriptional repressor (MITR), an alternative spliced form of HDAC9, does not have a catalytic domain but nonetheless can function well in vivo. Thus, class II HDACs have been the subject of extensive investigation. For example, as mentioned above, HDAC9 has been shown to suppress MEF2-dependent gene expression induced by hypertrophic signals in cardiomyocytes (Zhang et al., 2002). Although the functional significance of MEF2-mediated transcription repression by HDACs has been well established, the mechanisms of sequence-specific recruitment of HDACs by MEF2 are not clearly defined.

Small molecule inhibitors of HDACs, such as trichostatin A (TSA) and butyrate, have been shown to block muscle cell differentiation in culture studies.

These seemingly contradictory data suggest that HDACs may have multiple roles in muscle development. There is also evidence that HDAC inhibitors suppress fetal cardiac gene expression in cultured cardiac myocytes stimulated with hypertrophic agonists, again a paradoxical result, given the fact that MEF2/HDAC complexes are known to repress hypertrophic gene expression. These results suggest that HDACs serve as both positive and negative regulators of cardiomyocyte hypertrophy and imply a utility for HDAC inhibitors in treating heart failure. The small molecule inhibitors used in the above studies bind the active site of the deacetylase domain common to all HDAC proteins. The broad inhibition of HDACs with these compounds may explain the complex cellular responses observed thus far.

One way to further dissect the in vivo functions of HDACs and explore the full clinical potential of HDAC inhibition would be to develop inhibitors targeting the enzymatic activity of a specific member of the HDAC family. Considering the conserved nature of the active site of HDACs, this may be very challenging. An alternative approach is to target the steps involved in the interaction between HDACs and their regulators. The recruitment of class II HDACs by MEF2 is a very attractive target for the development of more specific inhibitors of the interaction between MEF2 and its corepressors or other ligands, including HDACs.

Therefore, there is a need in the art for structural information regarding MEF2/co-repressor complexes that can aid in the design of small molecule inhibitors to modulate gene expression in the muscle and immune systems, as well as for lead compounds and inhibitors that regulate the interaction between MEF2 family members and their ligands/corepressors. These inhibitors may be used to treat a variety of human diseases, and in particular hypertrophic cardiomyopathy (HCM), autoimmune diseases and transplant rejection.

SUMMARY OF THE INVENTION One embodiment of the present invention relates to a method of structure- based identification of candidate compounds for regulation of interactions of myocyte enhancer factor 2 (MEF2) with its cognate ligands. The method includes the steps of : (a) providing a three dimensional structure of an HDAC, a Cabinl protein or a MEF2 protein in a conformation from a complex of either HDAC or Cabinl with MEF2 and

DNA; and (b) identifying at least one candidate compound for interacting with the three dimensional structure of an active site in MEF2, HDAC, Cabinl, an HDAC and MEF2 complex, or a Cabinl and MEF2 complex by performing structure based drug design with the structure of (a). The three dimensional structure of (a) is selected from: (i) a structure defined by atomic coordinates of a three dimensional structure of a crystalline MEF2 region in complex with DNA and a protein selected from the group consisting of Cabinl and HDAC9 (MITR); (ii) a structure defined by atomic coordinates selected from: (1) atomic coordinates represented in a table selected from the group consisting of Table 1 (HDAC9/MEF2/DNA) and Table 2 (Cabinl/MEF2/DNA) ; and, (2) atomic coordinates that define a three dimensional structure wherein at least 50% of the structure has an average root-mean-square deviation (RMSD) from backbone atoms in secondary structure elements in at least one domain of a three dimensional structure represented by the atomic coordinates of (1) of equal to or less than about 1.5 A ; (iii) a structure defined by atomic coordinates derived from HDAC9/MEF2/DNA molecules arranged in a crystalline manner in a space group PI so as to form a unit cell of dimensions a =44. 765A, b = 66. 859A, c = 66. 924A (alpha=76.656, beta=71.846, gamma=71.799) ; (iv) a structure defined by atomic coordinates derived from Cabinl/MEF2/DNA molecules arranged in a crystalline manner in a space group P4 22 so as to form a unit cell of dimensions a=b=70. 14 A and c=151. 88 A ; and (v) a structure of MEF2 in complex with an HDAC protein and DNA constructed using as a template the three-dimensional structure of (ii). Protein domains are well known in the art and have been described for the HDAC, MEF2 and Cabinl proteins of the invention.

In one aspect of this embodiment, the structure of (a) is a structure defined by atomic coordinates that define a three dimensional structure, wherein at least 50% of the structure has an average root-mean-square deviation (RMSD) from backbone atoms in secondary structure elements in the amino acids of a three dimensional structure represented by the atomic coordinates of (1) of equal to or less than about 1. 0 A. In another aspect, the structure of (a) is a structure defined by atomic coordinates that define a three dimensional structure, wherein at least 50% of the structure has an average root-mean-square deviation (RMSD) from backbone atoms in secondary structure elements in the amino acids of a three dimensional structure represented by the atomic coordinates of (1) of equal to or less than about 0.5 A. In

yet another aspect, the structure of (a) is a structure defined by atomic coordinates that define a three dimensional structure, wherein the structure has an average root-mean- square deviation (RMSD) from backbone atoms in secondary structure elements in the amino acids of a three dimensional structure represented by the atomic coordinates of (1) of equal to or less than about 1.5 A. In another aspect, the structure of (a) is a structure defined by atomic coordinates that define a three dimensional structure, wherein the structure has an average root-mean-square deviation (RMSD) from backbone atoms in secondary structure elements in the amino acids of a three dimensional structure represented by the atomic coordinates of (1) of equal to or less than about 1.0 A. In yet another aspect, the structure of (a) is a structure defined by atomic coordinates that define a three dimensional structure, wherein the structure has an average root-mean-square deviation (RMSD) from backbone atoms in secondary structure elements in the amino acids of a three dimensional structure represented by the atomic coordinates of (1) of equal to or less than about 0.5 A.

In one aspect of this embodiment, the step of identifying comprises computational screening of one or more databases of chemical compounds.

In one aspect of this embodiment, the HDAC structure of (v) is the structure of a class II HDAC, including, but not limited to, an HDAC4, an HDAC5, an HDAC7 and an HDAC9.

In one aspect of this embodiment, the candidate compound is a candidate inhibitor of HDAC/MEF2/DNA complex activity or of Cabinl/MEF2/DNA activity.

In one aspect, the candidate compound is a candidate enhancer of HDAC/MEF2/DNA complex activity or of Cabinl/MEF2/DNA activity.

In another aspect of this embodiment, the method further includes the steps of : (c) synthesizing the candidate compound identified in (b); and (d) selecting candidate compounds from (c) that regulate the interaction of MEF2 with a MEF2 ligand. In one aspect, the MEF2 ligand is selected from the group consisting of an HDAC, <BR> <BR> Cabinl and p300. An HDAC is preferably a class II HDAC. , and more preferably an HDAC is selected from HDAC4, an HDAC5, an HDAC7, and an HDAC9. The step of selecting can include selecting compounds that bind to a protein selected from the group consisting of an HDAC, Cabinl and MEF2. In another aspect, the step of selecting comprises selecting candidate compounds that bind to MEF2 and inhibit the interaction of MEF2 with the MEF2 ligand. In another aspect, the step of selecting

comprises selecting candidate compounds that bind to an HDAC or Cabinl and inhibit the interaction of MEF2 with the HDAC or Cabinl, respectively. In yet another aspect, the step of selecting comprises selecting candidate compounds that bind to a protein selected from the group consisting of : MEF2, Cabinl, and an HDAC, and inhibit at least one biological activity of the protein.

In one aspect, the step of selecting comprises: (i) contacting the candidate compound synthesized in step (c) with MEF2 or a fragment thereof and a MEF2 ligand or a fragment thereof and with DNA under conditions in which a MEF2-MEF2 ligand-DNA complex can form in the absence of the candidate compound; and (ii) measuring the binding affinity of said MEF2 or fragment thereof to said MEF2 ligand or fragment thereof; wherein a candidate inhibitor compound is selected as a compound that inhibits the binding of MEF2 to its ligand when there is a decrease in the binding affinity of said MEF2 or fragment thereof for said MEF2 ligand or fragment thereof, as compared to in the absence of said candidate compound. In one aspect, the step of selecting comprises using an electrophoresis mobility shift assay (EMSA) to monitor the formation of a ternary complex among MEF2, DNA and the MEF2 ligand in the presence and the absence of the candidate compound, wherein a change in the formation of the complex in the presence of the compound as compared to in the absence of the compound indicates that the compound is a regulator of the interaction of MEF2 with the MEF2 ligand. In either of these aspects, the MEF2 ligand can include, but is not limited to, an HDAC, Cabinl and p300. The HDAC is preferably a class II HDAC, and more preferably, is selected from an HDAC4, an HDAC5, an HDAC7, and an HDAC9.

The method of Claim 1, wherein the active site comprises at least a portion of the interface between a dimer of MEF2 proteins and HDAC or Cabinl.

In one aspect, the active site in step (b) of the method comprises a ligand groove formed by the H2 helices and a (3-sheet comprising the S3 p-strands of a MEF2 dimer. In another aspect, the active site comprises a surface groove formed by - strands S2 and S3 and linkers between S2, H2, and S3 of a MEF2 dimer. In yet another aspect, the active site comprises one or both MEF2S domains of a MEF2 dimer. In another aspect, the active site comprises an amphipathic helix of HDAC or Cabinl that binds to a hydrophobic ligand groove formed by the H2 helices of a MEF2 dimer. In another aspect, the active site comprises the hydrophobic face of the amphipathic helix of HDAC or Cabinl. In yet another aspect, the active site

comprises at least a portion of an amphipathic helix of Cabinl comprising or aligning with SEQ ID NO : 17. In another aspect, the active site comprises at least a portion of an amphipathic helix of Cabinl, comprising or aligning with amino acids Ile2164, Thr2168, Leu2172, Ile2176 and Leu2177, with respect to SEQ ID NO : 14. In yet another aspect, the step of identifying comprises identifying candidate compounds for binding to a region of Cabinl comprising or aligning with any one or more of amino acid residues: Lys2161, Gly2162, Ser2163, Ile2164, Thr2168, Lys2169, Lys2171, Leu2172, Lys2173, Ile2176 Leu2177, Ser2182, Ala2182, Ala2183, and Asn2184, with respect to SEQ ID NO : 14. In yet another aspect, the active site comprises a beta sheet like interaction between loop I of MEF2 and the N-terminal tail of HDAC. In another aspect, the active site comprises the first 200-250 N-terminal amino acids of an HDAC. In another aspect, the active site comprises the first 160 N-terminal amino acid residues of an HDAC. In yet another aspect, the active site comprises at least a portion of an amphipathic helix of an HDAC comprising or aligning with amino acids represented by any one of SEQ ID NO : 18, SEQ ID NO : 19 or SEQ ID NO : 20. In yet another aspect, the active site comprises a hydrophobic face of an amphipathic helix of HDAC9 (MITR) comprising or aligning with amino acid residues (with respect to SEQ ID NO : 4): Vall43, Lysl44, Lysl46, Leul47, Glnl48, Phel50 and Leu151.

In one aspect, the step of identifying comprises identifying candidate compounds for binding to a region of HDAC9 (MITR) comprising or aligning with any one or more of amino acids with respect to SEQ ID NO : 4: Vall43, Lysl44, Lysl46, Leul47, Glnl48, Phel50, Leul51, and Phel77. In another aspect, the step of identifying comprises identifying candidate compounds for binding to a region of MEF2 comprising or aligning with any one or more of amino acids (with respect to SEQ ID NO : 2): Gln56, Met62, Asp63, Leu66, Leu67, Tyr69, Thr70, Tyr72, Ser73, Glu74, Pro75, and Ser78.

The step of performing structure based drug design can include any suitable technique or method, including, but not limited to, computational screening of one or more databases of chemical compound structures to identify candidate compounds which have structures that are predicted to interact with the three dimensional structure of an HDAC or Cabinl protein in complex with MEF2 and DNA; directed drug design; random drug design and grid-based drug design.

In another embodiment, the present invention provides pharmaceutical compositions with MEF2 binding capability as well as methods of administering these compounds to an animal in need of such treatment. The pharmaceutical compositions include, but are not limited to: (a) a compound having a formula selected from the group consisting of :

Arl-R2-Q-R-Ar2 and Arl-Rl-Q-R2-Ar2 or pharmaceutically acceptable salts thereof, wherein, Arl and Ar2 are independently C5-Clo aromatic, C5-Clo heterocyclic or aralkyl ; Rl and R2 are independently C,-C, 0 alkyl or alkylene; Q is C, C=C, Cl-Cs0 alkyl or phenyl; and (b) a pharmaceutically acceptable carrier.

BRIEF DESCRIPTION OF THE DRAWINGS OF THE INVENTION Fig. 1 is a schematic drawing showing the overall structure of Cabinl (top) bound to a MEF2 dimer on DNA (bottom).

Fig. 2A is a schematic drawing showing the ligand binding groove formed by the alpha helix H2 and beta strands S 1, S2 and S3 of each MEF2 monomer.

Fig. 2B is a schematic drawing showing the hydrophobic nature (the lighter patches around the Cabinl helix) of the MEF2 ligand-binding pocket.

Fig. 3 is a schematic drawing showing detailed binding interactions between Cabinl and MEF2.

Fig. 4 is a sequence alignment of the MEF2-binding motifs of Cabinl (SEQ ID NO : 17), HDAC4 (SEQ ID NO : 18), HDAC5 (SEQ ID NO : 19), HDAC9 (SEQ ID NO : 20) and p300 (SEQ ID NO : 21).

Fig. 5 is a digital image of the results of an electrophoresis mobility shift assay (EMSA) showing the titration of Cabinl (2144-2220) to the MEF2B (1-116) dimer/DNA complex.

Fig. 6 is digital image of the results of a mutational analysis on HDAC4.

Fig. 7A is a sequence alignment of the MEF2-binding motifs of Cabinl (SEQ ID NO : 17), HDAC4 (SEQ ID NO : 18), HDAC5 (SEQ ID NO : 19), HDAC9 (SEQ ID NO : 20) and p300 (SEQ ID NO : 21).

Fig. 7B is a digital image of the results of a mutational analysis of the conserved Phe on HDAC9.

Fig. 8 is a schematic drawing of the overall structure of the HDAC9/MEF2/DNA complex.

Fig. 9 is a schematic drawing showing how the conserved Phe in HDAC9 inserts into a hydrophobic groove on MEF2.

Fig. 10 is a schematic drawing illustrating structure-based strategies for designing MEF2-binding inhibitors.

Fig. 11 A is a schematic drawing illustrating the triple helix bundle formed between the amphipathic helix of MITR and two top MEF2 helices.

Fig. 11B is a schematic drawing further illustrating the triple helix bundle formed between the amphipathic helix of MITR and two top MEF2 helices.

Fig. 12A is a schematic drawing illustrating the plasticity of the MEF2 groove.

Fig. 12B is a schematic drawing further illustrating the plasticity of the MEF2 groove.

DETAILED DESCRIPTION OF THE INVENTION The present invention generally relates to the determination by the present inventors of the three-dimensional structure of two different MEF2 complexes; to the protein and DNA binding interactions that are uniquely revealed by the determination of these structures; to methods for designing and identifying compounds that bind to and regulate the proteins in the complexes, to the compounds designed or identified by such methods; and to the use of such compounds in therapeutic methods in which regulation of the proteins in the complex can be beneficial. Specifically, the present invention relates to the three-dimensional structures of a Cabinl/MEF2/DNA <BR> <BR> complex and a MEF2/HDAC9 (MITR) /DNA complex, to methods of use thereof, and to regulatory compounds identified based on the elucidation of these structures, as well as the use of such compounds in therapeutic methods.

First, the present inventors disclose herein the crystal structure of Cabinl/MEF2/DNA, which revealed the complete conformation of the N-terminal conserved domain of MEF2, where a MEF2 dimer mediates DNA binding on one side and recruits the Cabinl ligand on another. Second, in order to further elucidate the MEF2 recruitment mechanism for different ligands, the present inventors have solved the crystal structure of MEF2 with MITR (MEF2 Interacting Transcriptional Repressor, an alternative spliced form of HDAC9) and DNA. These results provide the first detailed understanding of the MEF2 interaction with specific

ligands/corepressors at a structural level and reveal potential target sites for molecular drug design.

Specifically, the present inventors have obtained diffracting crystals (2. 1 A) of Cabinl (amino acid residues 2157-2190 of SEQ ID NO : 14) bound to MEF2B (amino acid residues 1-93 of SEQ ID NO : 2) on DNA (the sequence of the DNA is shown in Fig. 1; represented by SEQ ID NO : 15 and SEQ ID NO : 16) and have also solved the crystal structure of the Cabinl/MEF2/DNA complex. The methods and the DNA sequence established in the crystallization of the Cabinl/MEF2/DNA complex facilitated the crystallization and resolution of the HDAC9/MEF2/DNA complex, which has been resolved to 2. 7A. These methods and structures will also be useful for crystallizing MEF2 bound to inhibitors for structural analyses and structure-based improvement of the inhibitor design.

The crystal structure of the Cabinl/MEF2/DNA complex solved by the inventors reveals that the Cabinl-binding site on MEF2 bears a resemblance to the antigen peptide binding site of the Major Histocompatibility Complex (MHC).

Preliminary studies by the inventors indicate that MEF2 uses the MHC-like domain to recruit other transcription co-regulators (e. g. , class II HDACs and p300) by binding small alpha helices in targeted proteins. Thus, small compounds that bind MEF2 may act through at least two mechanisms. One is to block the recruitment of class II HDACs by MEF2. This mechanism will allow the exploration of the clinical benefits of specifically inhibiting class II HDACs without using the broad HDAC inhibitors (see Background). Another mechanism is to block the recruitment of p300 when the MEF2/co-repressor complex is aberrantly disassembled by pathological stimuli in diseased organs such as a hypertrophic heart. The ligand/receptor binding mechanism between MEF2 and its co-regulator (co-repressor and co-activators) indicates that it will be possible to use small molecules to block the recruitment of co-regulators by MEF2.

The structure of the HDAC/MEF2/DNA complex reveals that the MEF2 domain forms a helix-strand-helix motif wrapped around the surface of the MADS- box, providing an extensive surface for interactions with MEF2-binding transcription co-regulators. HDAC9 binds MEF2 as an amphipathic alpha helix to form a triple- helix bundle with two helices of the MEF2S domain. Many of the interface residues have been confirmed by the present inventors in mutagenesis studies described herein to be important for HDAC to bind MEF2 in solution (e. g. , see Example 2 and Fig. 6).

In addition, the present inventors have discovered many other previously unknown sites that are important for the interactions. These sites will be discussed in detail below.

The whole N-terminal conserved MEF2 domain has an architecture with one side for binding DNA and with another for co-repressor, which was observed in the resolution of both complexes. Surprisingly, the inventors found that the ligand groove of MEF2 is actively engaged in binding through adaptive conformational change in response to different ligands. These complex structures and further biochemistry studies suggest a general mechanism by which MEF2 recruits Class II HDACs to repress downstream target genes (discussed below).

Interestingly, the crystal structure of the HDAC9/MEF2/DNA complex reveals protein-binding interactions not seen in the first-derived structure of the related Cabinl/MEF2/DNA complex (discussed in detail below). These new interactions are unique to the subgroup of class II HDACs (HDAC4, HDAC5 and HDAC9) that play critical roles in gene expression associated with heart hypertrophy.

This new structural information will be critical for developing, in silico and in vitro, small molecule inhibitors of MEF2 for therapeutic applications in heart hypertrophy.

The methods of crystallizing the HDAC9/MEF2/DNA complex will provide an efficient way to characterize MEF2 binding compounds developed by a variety of means such as combinatorial screen and computer-based design, as well as other methods. Thus, the HDAC9/MEF2 structure will be tremendously useful for designing specific inhibitors of MEF2 for human heart diseases.

Although it was speculated that MEF2 might bind Cabinl and class II HDACs through a similar mechanism, the structures of the Cabinl/MEF2/DNA complex and the HDAC9/MEF2/DNA complex reveal significant differences in the mechanisms by which MEF2 recruits distinct transcriptional co-repressors. These differences will provide the molecular basis to design compounds of high affinity and specificity that bind MEF2 and block the hypertrophic gene expression. The combined structural information of the Cabinl/MEF2/DNA complex and the HDAC9/MEF2/DNA complex indicate that it is feasible to design small molecule inhibitors for the recruitment of class II HDAC and other co-regulators by MEF2.

Based on the combined structural information from the complexes described <BR> <BR> herein, the inventors propose strategies for designing MEF2 inhibitors (e. g. , see Fig.

10 and detailed discussion below). The electrophoresis mobility shift assay (EMSA)

developed in the present inventors'studies (described below) will also serve as a high throughput method to screen potential MEF2 inhibitors. Finally, the crystallization methods established in the inventors'studies can be used to characterize MEF2 inhibitors generated from computer design and combinatorial screen.

According to the present invention, general reference to a protein (e. g. , an HDAC protein, a Cabinl protein, or a MEF2 protein) is reference to a protein that, at <BR> <BR> a minimum, contains any biologically active portion (e. g. , portion with a particular biological function or a portion that at least binds to a given substrate, such as another protein and/or DNA) of the specified protein, and includes full-length proteins, biologically active fragments of the protein, fusion proteins, or any homologue of a naturally occurring protein, as described in detail below. A homologue of a given protein includes proteins which differ from the naturally occurring protein in that at least one or a few, but not limited to one or a few, amino acids have been deleted <BR> <BR> (e. g. , a truncated version of the protein, such as a peptide or fragment), inserted,<BR> inverted, substituted and/or derivatized (e. g. , by glycosylation, phosphorylation, acetylation, myristoylation, prenylation, palmitation, amidation and/or addition of glycosylphosphatidyl inositol). Preferably, a homologue of a specified protein has an amino acid sequence that is at least about 30% identical to the amino acid sequence of <BR> <BR> a naturally occurring protein (e. g. , any of the proteins having amino acid sequences disclosed herein, such as SEQ ID NO : 2, SEQ ID NO : 4, SEQ ID NO : 6, SEQ ID NO : 8, SEQ ID NO : 10, SEQ ID NO : 12, SEQ ID NO : 14), and more preferably, at least about 35%, and more preferably, at least about 40%, and more preferably, at least about 45%, and more preferably, at least about 50%, and more preferably, at least about 55%, and more preferably, at least about 60%, and more preferably, at least about 65%, and more preferably, at least about 75%, and more preferably, at least about 75%, and more preferably, at least about 80%, and more preferably, at least about 85%, and more preferably, at least about 90%, and more preferably, at least about 95% identical to the amino acid sequence of a naturally occurring protein.

As used herein, unless otherwise specified, reference to a percent (%) identity refers to an evaluation of homology which is performed using: (1) a BLAST 2.0 Basic BLAST homology search using blastp for amino acid searches and blastn for nucleic acid searches with standard default parameters, wherein the query sequence is filtered <BR> <BR> for low complexity regions by default (described in Altschul, S. F. , Madden, T. L.,<BR> Schaaffer, A. A. , Zhang, J. , Zhang, Z. , Miller, W. &amp; Lipman, D. J. (1997)"Gapped

BLAST and PSI-BLAST: a new generation of protein database search programs." Nucleic Acids Res. 25: 3389-3402, incorporated herein by reference in its entirety); (2) a BLAST 2 alignment (using the parameters described below); (3) PSI-BLAST with the standard default parameters (Position-Specific Iterated BLAST; or (4) any of the software programs/algorithms described in the Examples or elsewhere herein. It is noted that due to some differences in the standard parameters between BLAST 2.0 Basic BLAST and BLAST 2, two specific sequences might be recognized as having significant homology using the BLAST 2 program, whereas a search performed in BLAST 2.0 Basic BLAST using one of the sequences as the query sequence may not identify the second sequence in the top matches. In addition, PSI-BLAST provides an automated, easy-to-use version of a"profile"search, which is a sensitive way to look for sequence homologues. The program first performs a gapped BLAST database search. The PSI-BLAST program uses the information from any significant alignments returned to construct a position-specific score matrix, which replaces the query sequence for the next round of database searching. Therefore, it is to be understood that percent identity can be determined by using any one of these programs.

Two specific sequences can be aligned to one another using BLAST 2 <BR> <BR> sequence as described in Tatusova and Madden, (1999), "Blast 2 sequences-a new tool for comparing protein and nucleotide sequences", FEMS Microbiol Lett.

174: 247-250, incorporated herein by reference in its entirety. BLAST 2 sequence alignment is performed in blastp or blastn using the BLAST 2.0 algorithm to perform a Gapped BLAST search (BLAST 2.0) between the two sequences allowing for the introduction of gaps (deletions and insertions) in the resulting alignment. For purposes of clarity herein, a BLAST 2 sequence alignment is performed using the standard default parameters as follows: For blastn, using 0 BLOSUM62 matrix: Reward for match = 1 Penalty for mismatch =-2 Open gap (5) and extension gap (2) penalties gap x_dropoff (50) expect (10) word size (11) filter (on) For blastp, using 0 BLOSUM62 matrix: Open gap (11) and extension gap (1) penalties gap x_dropoff (50) expect (10) word size (3) filter (on).

One of skill in the art can also use any of a number of other software programs that are publicly available. For example, one can use BLOCKS (GIBBS) and MAST <BR> <BR> (Henikoff et al. , 1995, Gene, 163,17-26 ; Henikoff et al. , 1994, Genomics, 19,97- 107), typically using standard manufacturer defaults.

Preferred three-dimensional structural homologues of the proteins of the invention are described in detail below. In one embodiment, a MEF2 homologue has the ability to bind to DNA and/or to a ligand (also referred to herein as a corepressor) <BR> <BR> of MEF2 (e. g. , an HDAC protein, p3000, or any MEF2-binding portions thereof).

Such homologues include fragments or mutants of a full length MEF2 and can be referred to herein as a ligand-binding fragment or protein. In one embodiment, a MEF2 homologue has a biological activity of a naturally occurring MEF2 protein. In another embodiment, an HDAC homologue has the ability to bind to a ligand of the <BR> <BR> HDAC (e. g. , MEF2 or any HDAC-binding portions thereof). Such homologues include fragments or mutants of a full length HDAC and can be referred to herein as a ligand-binding fragment or protein. In one embodiment, an HDAC homologue has a biological activity of a naturally occurring HDAC protein. In yet another embodiment, a Cabinl homologue has the ability to bind to a ligand of Cabinl (e. g., MEF2 or any Cabinl-binding portions thereof). Such homologues include fragments or mutants of a full length Cabinl and can be referred to herein as a ligand-binding fragment or protein. In one embodiment, a Cabinl homologue has a biological activity of a naturally occurring Cabinl protein.

In general, the biological activity or biological action of a protein refers to any function (s) exhibited or performed by the protein that is ascribed to the naturally <BR> <BR> occurring form of the protein as measured or observed in vivo (i. e. , in the natural<BR> physiological environment of the protein) or in vitro (i. e. , under laboratory conditions). Modifications of a protein, such as in a homologue or mimetic (discussed below), may result in proteins having the same biological activity as the naturally occurring protein, or in proteins having decreased or increased biological activity as compared to the naturally occurring protein. Modifications which result in a decrease in protein expression or a decrease in the activity of the protein, can be referred to as inactivation (complete or partial), down-regulation, or decreased action of a protein. Similarly, modifications that result in an increase in protein expression or an increase in the activity of the protein, can be referred to as amplification, overproduction, activation, enhancement, up-regulation or increased action of a

protein. As used herein, a protein that has"MEF2 biological activity"or that is referred to as MEF2, by way of example, refers to a protein that has an activity that can include any one, and preferably more than one, of the following characteristics: (a) interacts with (e. g. , by binding to) a substrate or ligand of a naturally occurring<BR> MEF2 protein or close variant thereof (e. g. , DNA, an HDAC, p300, and/or other substrate or fragment thereof) ; (b) functional activity, such as contributing to transcriptional repression, contributing to calcium-dependent de-repression; or contributing to transcription activation, which result in phenotypes such as regulation of the expression of specific genes involved in the development and adaptive responses of muscle cells, neuronal cells, T cells, or other characterized downstream effects.

Similarly, a protein that has"Cabinl biological activity"or that is referred to as Cabinl, by way of example, refers to a protein that has an activity that can include any one, and preferably more than one, of the following characteristics: (a) interacts with (e. g. , by binding to) a substrate or ligand of a naturally occurring Cabinl protein<BR> or close variant thereof (e. g. , MEF2 and/or other substrate or fragment thereof) ; (b) functional activity, such as contributing to transcriptional repression, which results in phenotypes such as regulation of the expression of specific genes involved in the development and adaptive responses of T cells, or other characterized downstream effects.

A protein that has"HDAC biological activity"or that is referred to as an HDAC, by way of example, refers to a protein that has an activity that can include any one, and preferably more than one, of the following characteristics: (a) interacts with <BR> <BR> (e. g. , by binding to) a substrate or ligand of a naturally occurring HDAC protein or<BR> close variant thereof (e. g. , MEF2 and/or other substrate or fragment thereof) ; (b) functional activity, such as contributing to transcriptional repression, which results in phenotypes such as regulation of the expression of specific genes involved in the development and adaptive responses of muscle cells, or other characterized downstream effects. The specific biological activities of a variety of HDAC proteins, <BR> <BR> including the class II HDAC proteins (e. g. , HDAC4, HDAC5, HDAC7 and HDAC9) are well known in the art.

The nucleic acid and amino acid sequences of representative members of the class II HDAC family are provided herein. For example, as discussed above, amino acid sequence for the murine HDAC9 isoform known as MEF2 interacting

transcriptional repressor (MITR) (GenBank Accession No. NM024124) is represented herein by SEQ ID NO : 4. SEQ ID NO : 4 is encoded by the nucleic acid sequence of SEQ ID NO : 3. The amino acid sequence of the human HDAC9, splice variant 1 (GenBank Accession No. NM058176), is represented herein by SEQ ID NO : 6, encoded by SEQ ID NO : 5. The amino acid sequence of the human HDAC4 (GenBank Accession No. NM-006037) is represented herein by SEQ ID NO : 8, encoded by SEQ ID NO : 7. The amino acid sequence of the human HDAC5, splice variant 1 (GenBank Accession No. NM-005474) is represented herein by SEQ ID NO : 10, encoded by SEQ ID NO : 9. The amino acid sequence of the human HDAC7a (GenBank Accession No. BC006453) is represented herein by SEQ ID NO : 12, encoded by SEQ ID NO : 11. Other splice variants/isoforms of the class II HDAC family members and their nucleotide and amino acid sequences are well known in the art and are intended to be encompassed by the present invention.

An isolated protein, according to the present invention, is a protein that has <BR> <BR> been removed from its natural milieu (i. e. , that has been subject to human manipulation) and can include purified proteins, partially purified proteins, recombinantly produced proteins, and synthetically produced proteins, for example. <BR> <BR> <P>As such, "isolated"does not reflect the extent to which the protein has been purified.

Preferably, an isolated protein, and particularly (including fragments and homologues thereof), is produced recombinantly or synthetically (if the protein is a smaller <BR> <BR> peptide). The terms"fragment", "segment"and"portion"can be used interchangeably herein with regard to referencing a part of a protein. It will be appreciated that, as a result of the determination of the tertiary structure of MEF2 and MEF2 corepressors herein, various portions of these proteins will now be appreciated as being particularly valuable for mutational analyses and various biological assays outside of the computer-assisted drug design methods disclosed herein. Such portions of these proteins, including MEF2, an HDAC protein (and particularly a class II HDAC protein, and more particularly, HDAC 9 or MITR), and Cabinl, and methods of using such portions are explicitly contemplated to be part of the present invention.

Reference to a protein from a specific organism, such as a"human HDAC", by way of example, refers to an HDAC (including a homologue of a naturally occurring HDAC) from a Homo sapiens or to an HDAC that has been otherwise produced from <BR> <BR> the knowledge of the primary structure (e. g. , sequence) and/or the tertiary structure of a naturally occurring HDAC from Homo sapiens. In other words, a human HDAC

includes any HDAC that has the structure and function of a naturally occurring HDAC from Homo sapiens or that has a structure and function that is sufficiently similar to a Homo sapiens HDAC such that the HDAC is a biologically active (i. e., has biological activity) homologue of a naturally occurring HDAC from Homo sapiens. As such, a Homo sapiens HDAC, by way of example, can include purified, partially purified, recombinant, mutated/modified and synthetic proteins.

Proteins of the present invention are preferably retrieved, obtained, and/or used in"substantially pure"form. As used herein, "substantially pure"refers to a purity that allows for the effective use of the protein in vitro, ex vivo or in vivo according to the present invention. For a protein to be useful in an in vitro, ex vivo or in vivo method according to the present invention, it is substantially free of contaminants, other proteins and/or chemicals that might interfere or that would interfere with its use in a method disclosed by the present invention, or that at least would be undesirable for inclusion with the protein when it is used in a method disclosed by the present invention. For example, for an HDAC protein, such methods include crystallization of the protein, use of all or a portion of the protein for mutational analysis, for antibody production, for agonist/antagonist identification assays, and all other methods disclosed herein. For a therapeutic or lead compound peptide or protein identified by the structure-based identification methods described herein, such methods include synthesis of the protein or peptide, collection or recovery of the protein or peptide, use of the protein or peptide in high-throughput screening assays, and therapeutic development and use of the protein or peptide.

Preferably, a"substantially pure"protein, as referenced herein, is a protein that can be produced by any method (i. e. , by direct purification from a natural source, recombinantly, or synthetically), and that has been purified from other protein components such that the protein comprises at least about 80% weight/weight of the total protein in a given composition (e. g. , the protein is about 80% of the protein in a solution/composition/buffer), and more preferably, at least about 85%, and more preferably at least about 90%, and more preferably at least about 91%, and more preferably at least about 92%, and more preferably at least about 93%, and more preferably at least about 94%, and more preferably at least about 95%, and more preferably at least about 96%, and more preferably at least about 97%, and more preferably at least about 98%, and more preferably at least about 99%, weight/weight of the total protein in a given composition.

As used herein, a"structure"of a protein refers to the components and the manner of arrangement of the components to constitute the protein. The"three dimensional structure"or"tertiary structure"of the protein refers to the arrangement of the components of the protein in three dimensions. Such term is well known to those of skill in the art. It is also to be noted that the terms"tertiary"and"three dimensional"and"ternary"can be used interchangeably.

The present invention provides the atomic coordinates that define the three dimensional structure of a Cabinl/MEF2/DNA complex, an HDAC9 (MITR) /MEF2/DNA complex, and accordingly, the atomic coordinates that define the three dimensional structures of the individual components as they occur when in complex with one another. First, the present inventors have determined the atomic coordinates that define the three dimensional structure of a crystalline Cabinl/MEF2B/DNA complex (see Example 1 for details). Second, the present inventors have determined the atomic coordinates that define the three dimensional <BR> <BR> structure of a crystalline HDAC9 (MITR) /MEF2B/DNA complex (see Example 2 for details). Using the guidance provided herein, one of skill in the art will be able to reproduce any of such structures, including the structures of the individual <BR> <BR> components therein (e. g. , MEF2B, Cabinl, or HDAC9 (MITR) ) and define atomic coordinates of such a structure.

Example 1 describes the production of a Cabinl/MEF2B/DNA complex, arranged in a crystalline manner in a space group P4) 22 so as to form a unit cell of dimensions a=b=70.14 A and c=151. 88 A. The complex was produced from a fusion protein comprising human MEF2B (residues 1-93 of SEQ ID NO : 2) and human Cabinl (residues 2156-2190 of SEQ ID NO : 14) with Cabinl at the C-terminus and a PreScission site in between. A 20% molar excess of DNA was mixed with the Cabinl/MEF2B fusion protein to produce the complex. The atomic coordinates determined from this crystal structure and defining the three dimensional structure of the complex are provided as Table 2. The atomic coordinates for the Cabinl/MEF2B/DNA complex in Table 2 were deposited with the Protein Data Bank (PDB), operated by the Research Collaboratory for Structural Bioinformatics (RCSB) (H. M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T. N. Bhat, H. Weissig, I. N. Shindyalov, P. E. Boume, The Protein Data Bank ; Nucleic Acids Research, 28: 235- 242 (2000) ), under PDB Deposit No. 1N6J on November 11,2002 and released to the public on November 11,2003, and such coordinates are incorporated herein by

reference. The atomic coordinates for the individual components of the complex (Cabinl, MEF2B and DNA) can be identified by the unique chain identification for each component (Chain ID) and thus may be separately used in the methods of the invention. For the purposes of this invention, reference to the complex defined by the atomic coordinates in Table 2 can be made by referring to a Cabinl/MEF2B/DNA complex or a Cabinl/MEF2/DNA complex, or any other arrangement of the three components (e. g., MEF2B/Cabinl/DNA).

Example 2 describes the production of an HDAC9 (MITR isoform)/MEF2B/DNA complex arranged in a crystalline manner in a space group PI so as to form a unit cell of dimensions a=44. 765A, b=66. 859A, c=66. 924A (alpha=76.656, beta=71.846, gamma=71.799). The complex was produced from a fusion protein comprising human MEF2B (residues 1-93 of SEQ ID NO : 2) and murine MITR (residues 128-154 of SEQ ID NO : 4) with MITR at the C-terminus. A 20% molar excess of DNA was mixed with the MITR/MEF2 fusion protein to produce the complex. The atomic coordinates defining this crystal structure are provided as Table 1. The atomic coordinates for the individual components of the complex (MITR, MEF2B and DNA) can be identified by the unique chain identification for each component (Chain ID) and thus may be separately used in the methods of the invention. For the purposes of this invention, reference to the complex defined by the atomic coordinates in Table 1 can be made by referring to an HDAC/MEF2/DNA complex (or MEF2 can be designated MEF2B), an HDAC9/MEF2/DNA complex (or MEF2 can be designated MEF2B) or a MITR/MEF2/DNA complex (or MEF2 can be designated MEF2B), or any other arrangement of the three components (e. g. , MEF2B/MITR/DNA).

One embodiment of the present invention includes any of the above-described complexes in crystalline form. The present invention specifically exemplifies crystalline Cabinl/MEF2/DNA and crystalline MITR/MEF2/DNA. As used herein, by way of example, the terms"crystalline MITR/MEF2/DNA"and "MITR/MEF2/DNA crystal"both refer to crystallized MITR/MEF2/DNA complex and are intended to be used interchangeably. Preferably, a crystalline complex of the invention is produced using the crystal formation method described herein, in particular according to the method disclosed in Example 1 or Example 2. A MITR/MEF2/DNA crystal or a Cabinl/MEF2/DNA crystal of the present invention can comprise any crystal structure that comes from crystals formed in any of the

allowable space groups for these complexes proteins. In one aspect, a crystalline MITR/MEF2/DNA of the present invention includes MITR/MEF2/DNA molecules arranged in a crystalline manner in a space group P1 of the crystal lattice so as to form a unit cell having approximate dimensions of PI so as to form a unit cell of dimensions a=44. 765A, b=66. 859A, c=66. 924A (alpha=76.656, beta=71.846, gamma=71.799). In one aspect, a crystalline Cabinl/MEF2/DNA of the present invention includes Cabinl/MEF2/DNA molecules arranged in a crystalline manner in a space group of P4, 22 of the crystal lattice so as to form a unit cell of dimensions a=b=70. 14 A and c=151. 88 A.

According to the present invention, a unit cell having"approximate dimensions of'a given set of dimensions refers to a unit cell that has dimensions that are within plus (+) or minus (-) 2.0% of the specified unit cell dimensions. Such a small variation is within the scope of the invention since one of skill in the art could obtain such variance by performing X-ray crystallography at different times on the same crystal. In one embodiment, a crystalline complex of the present invention has the specified unit cell dimensions set forth above. A preferred crystal of the present invention provides X-ray diffraction data for determination of atomic coordinates of the complex to a resolution of about 4.0 A, and preferably to about 3.2 A, and preferably to about 3.0 A, and more preferably to about 2.3 A, and more preferably to about 2.0 A, and even more preferably to about 1.8 A.

One embodiment of the present invention includes a method for producing crystals of a complex of the invention, including MITR/MEF2/DNA and Cabinl/MEF2/DNA, comprising combining the complex with a mother liquor and inducing crystal formation to produce the complex crystals. Although the production of crystals of two different complexes are specifically described herein, it is to be understood that such processes as are described herein can be adapted by those of skill in the art to produce crystals of other MEF2/MEF2 ligand/DNA complexes. A suitable mother liquor of the present invention comprises the solution used for crystallization as described in Examples 1 or 2 that causes the protein complex to crystallize. There is some tolerance in the mother liquor conditions so that changes of up to 30% in buffer concentrations, PEG concentrations, 0.5 pH units, and temperatures of between 10°C and 28°C can still yield crystals. Supersaturated solutions comprising a complex can be induced to crystallize by several methods

including, but not limited to, vapor diffusion, liquid diffusion, batch crystallization, constant temperature and temperature induction or a combination thereof. Preferably, supersaturated solutions of the complex are induced to crystallize by hanging drop vapor diffusion. In a vapor diffusion method, a complex is combined with a mother liquor as described above that will cause the protein solution to become supersaturated and form crystals at a constant temperature. Vapor diffusion is preferably performed under a controlled temperature and, by way of example, can be performed at 18°C.

The crystalline complexes of the present invention are analyzed by X-ray diffraction and, based on data collected from this procedure, models are constructed which represent the tertiary structure of the complexes. Therefore, one embodiment of the present invention includes a representation, or model, of the three dimensional structure of a complex of the present invention or of a component thereof (e. g., MEF2, Cabinl, HDAC), such as a computer model. A computer model of the present invention can be produced using any suitable software modeling program, including, but not limited to, the graphical display program O (Jones et. al., Acta Crystallography, vol. A47, p. 110,1991), CNS (Brunger, et al. Crystallography & NMR system: A new software suite for macromolecular structure determination, Acta <BR> <BR> Crystallogr D Biol Crystallogr 54, 905-21. (1998) ), the graphical display program GRASP, MOLSCRIPT 2.0 (Avatar Software AB, Heleneborgsgatan 21C, SE-11731 Stockholm, Sweden), the program CONTACTS from the CCP4 suite of programs (Bailey, 1994, Acta Cryst. D50: 760-763), or the graphical display program INSIGHT.

Suitable computer hardware useful for producing an image of the present invention are known to those of skill in the art (e. g. , a Silicon Graphics Workstation).

A representation, or model, of the three dimensional structure of the complex or protein component for which a crystal has been produced can also be determined using techniques which include molecular replacement or SIR/MIR (single/multiple isomorphous replacement), or MAD (multiple wavelength anomalous diffraction) <BR> <BR> methods (Hendrickson et al. , 1997, Methods Enzymol., 276: 494-522). Methods of molecular replacement are generally known by those of skill in the art (generally described in Brunger, Meth. Enzym., vol. 276, pp. 558-580,1997 ; Navaza and Saludjian, Meth. Enzym., vol. 276, pp. 581-594,1997 ; Tong and Rossmann, Meth.

Enzym., vol. 276, pp. 594-611,1997 ; and Bentley, Meth. Enzym., vol. 276, pp. 611- 619,1997, each of which are incorporated by this reference herein in their entirety)

and are performed in a software program including, for example, AmoRe (CCP4, Acta Cryst. D50,760-763 (1994), SOLVE (Terwilliger et al., 1999, Acta Crystallogr., D55: 849-861), RESOLVE (Terwilliger, 2000, Acta Crystallogr., D56: 965-972) or XPLOR. Briefly, X-ray diffraction data is collected from the crystal of a crystallized target structure. The X-ray diffraction data is transformed to calculate a Patterson function. The Patterson function of the crystallized target structure is compared with a Patterson function calculated from a known structure (referred to herein as a search structure). The Patterson function of the crystallized target structure is rotated on the search structure Patterson function to determine the correct orientation of the crystallized target structure in the crystal. The translation function is then calculated to determine the location of the target structure with respect to the crystal axes. Once the crystallized target structure has been correctly positioned in the unit cell, initial phases for the experimental data can be calculated. These phases are necessary for calculation of an electron density map from which structural differences can be observed and for refinement of the structure. Preferably, the structural features (e. g., amino acid sequence, conserved disulphide bonds, and p-strands or p-sheets) of the search molecule are related to the crystallized target structure.

As used herein, the term"model"refers to a representation in a tangible medium of the three dimensional structure of a protein, polypeptide or peptide. For example, a model can be a representation of the three dimensional structure in an electronic file, on a computer screen, on a piece of paper (i. e. , on a two dimensional medium), and/or as a ball-and-stick figure. Physical three-dimensional models are tangible and include, but are not limited to, stick models and space-filling models.

The phrase"imaging the model on a computer screen"refers to the ability to express (or represent) and manipulate the model on a computer screen using appropriate computer hardware and software technology known to those skilled in the art. Such technology is available from a variety of sources including, for example, Evans and Sutherland, Salt Lake City, Utah, and Biosym Technologies, San Diego, CA. The phrase"providing a picture of the model"refers to the ability to generate a"hard copy"of the model. Hard copies include both motion and still pictures. Computer screen images and pictures of the model can be visualized in a number of formats including space-filling representations, a carbon traces, ribbon diagrams and electron density maps. A variety of such representations of the structural models of the present invention are shown, for example, in the figures.

Preferably, a three dimensional structure of a complex or component thereof provided by the present invention includes: (a) a structure defined by atomic coordinates of a three dimensional structure of a crystalline MEF2 region in complex with DNA and a protein selected from: Cabinl or HDAC9 (MITR); (b) a structure defined by atomic coordinates selected from: (i) atomic coordinates represented in a table selected from Table 1 (HDAC9/MEF2/DNA) and Table 2 (Cabinl/MEF2/DNA) ; and, (ii) atomic coordinates that define a three dimensional structure wherein at least 50% of the structure has an average root-mean-square deviation (RMSD) from backbone atoms in secondary structure elements in at least one domain of a three dimensional structure represented by the atomic coordinates of (1) of equal to or less than about 1.5 A ; (c) a structure defined by atomic coordinates derived from HDAC9/MEF2/DNA molecules arranged in a crystalline manner in a space group PI so as to form a unit cell of dimensions a =44. 765A, b = 66. 859A, c = 66. 924A (alpha=76.656, beta=71.846, gamma=71.799) ; (d) a structure defined by atomic coordinates derived from Cabinl/MEF2/DNA molecules arranged in a crystalline manner in a space group P4) 22 so as to form a unit cell of dimensions a=b=70.14 A and c=151. 88 A ; or (e) a structure of MEF2 in complex with an HDAC protein and DNA constructed using as a template the three-dimensional structure of (ii).

The crystalline complexes, including crystalline Cabinl/MEF2/DNA or crystalline HDAC/MEF2/DNA, have been described in detail above, as well as methods to produce, analyze and model the structure of such crystals (see also Examples 1 and 2). In addition, the atomic coordinates of Tables 1 and 2, which define the tertiary structures of the complexes and components thereof have also been discussed above (see also Examples 1 and 2).

In one aspect of the invention, a three dimensional structure of a complex or a component thereof provided by the present invention includes a structure wherein the structure has an average root-mean-square deviation (RMSD) of equal to or less than about 1.7A over the backbone atoms in secondary structure elements of at least 50% of the residues in at least one domain of a three dimensional structure represented by the atomic coordinates of any one of Tables 1-2. Such a structure can be referred to

as a structural homologue of the complexes or components thereof defined by one of Tables 1-2. Preferably, the structure has an average root-mean-square deviation (RMSD) of equal to or less than about 1. 6A over the backbone atoms in secondary structure elements of at least 50% of the residues in at least one domain of a three dimensional structure represented by the atomic coordinates of any one of Tables 1-2, or equal to or less than about 1. 5 A, or equal to or less than about 1.4 A, or equal to or less than about 1.3 A, or equal to or less than about 1.2 A, or equal to or less than about 1.1 A, or equal to or less than about 1.0 A, or equal to or less than about 0.9 A, or equal to or less than about 0. 8 A, or equal to or less than about 0.7 A, or equal to or less than about 0.6 A, or equal to or less than about 0. 5 A, or equal to or less than about 0.4 A, or equal to or less than about 0.3 A, or equal to or less than about 0.2 A, over the backbone atoms in secondary structure elements of at least 50% of the residues in at least one domain of a three dimensional structure represented by the atomic coordinates of any one of Tables 1-2. In another aspect, a three dimensional structure of a complex or component thereof provided by the present invention includes a structure wherein the structure has the recited RMSD over the backbone atoms in secondary structure elements of at least 75% of the residues in at least one domain of a three dimensional structure represented by the atomic coordinates of any one of Tables 1-2, and more preferably at least about 80%, and more preferably at least about 85%, and more preferably at least about 90%, and more preferably at least about 95%, and most preferably, about 100% of the residues in at least one domain of a three dimensional structure represented by the atomic coordinates of any one of Tables 1-2.

In one embodiment, the RMSD of a structural homologue of a complex or component thereof can be extended to include atoms of amino acid side chains. As used herein, the phrase"common amino acid side chains"refers to amino acid side chains that are common to both the structural homologue and to the structure that is actually represented by such atomic coordinates (e. g. , a structure represented by one of Tables 1-2). Preferably, at least 50% of the structure has an average root-mean- square deviation (RMSD) from common amino acid side chains in a three dimensional structure represented by the atomic coordinates of one of Tables 1-2 of equal to or less than about 1.7 A, or equal to or less than about 1.6 A, equal to or less than about 1.5 A, or equal to or less than about 1.4 A, or equal to or less than about

1.3 A, or equal to or less than about 1.2 A, or equal to or less than about 1. 1 A, or equal to or less than about 1.0 A, or equal to or less than about 0.9 A, or equal to or less than about 0.8 A, or equal to or less than about 0.7 A, or equal to or less than about 0.6 A, or equal to or less than about 0.5 A, or equal to or less than about 0.4 A, or equal to or less than about 0.3 A, or equal to or less than about 0.2 A. In another embodiment, a three dimensional structure of a complex or component thereof provided by the present invention includes a structure wherein at least about 75% of such structure has the recited average root-mean-square deviation (RMSD) value, and more preferably, at least about 85% of such structure has the recited average root- mean-square deviation (RMSD) value, and most preferably, about 95% of such structure has the recited average root-mean-square deviation (RMSD) value.

In addition to having the recited RMSD values, a structural homologue of a MEF2-ligand-DNA complex or component thereof should additionally meet the following criteria for amino acid sequence homology, both of which have been discussed in detail previously herein. First, the structure should include or represent a protein having an amino acid sequence corresponding to a relevant homologue of MEF2, HDAC and/or Cabinl (e. g. , has at least one biological activity of the natural protein, including a binding activity or a functional activity). For example, although the HDAC9 isoform known as MITR was used in one of the complexes described herein, other class II HDAC proteins have conserved regions that can result in such protein being considered to be homologues of MITR that can be modeled using as a template the three-dimensional structure of MITR as described in detail herein.

Another structure that is useful in the methods of the present invention is a structure that is defined by the atomic coordinates in any one of Tables 1-2 defining a component or a portion of a component in an HDAC/MEF2/DNA complex or a Cabinl/MEF2/DNA complex, wherein the portion of the complex or component thereof comprises sufficient structural information to perform structure based drug design (described below). Suitable portions of the complex and components thereof that could be modeled and used in structure based drug design will be apparent to those of skill in the art. For example, one can model all or a portion of the entire complex or an active site thereof, or all or a portion of a component of the complex (e. g. , HDAC (MITR), Cabinl, MEF2B). The present inventors have also identified multiple sites of interest based on the structure of the complexes of the invention

(described in detail below). Structures comprising these portions (e. g. , the ligand binding groove formed by a MEF2 dimer and/or the amphipathic helix of HDAC or Cabinl that binds within this MEF2 groove; e. g. , see Fig. 4 for example) would be encompassed by the present invention.

Accordingly, one embodiment of the present invention relates to a method of structure-based identification of compounds that regulate the interactions of myocyte enhancer factor 2 (MEF2) with its cognate ligands (e. g. , an HDAC, such as MITR; Cabinl ; or even another ligand such as p300). Such compounds can regulate the ability of either MEF2 or its ligand to bind to one another and/or the biological activity of the either MEF2 or its ligand, such as the transcriptional regulatory activity of the protein. The method is typically a computer-assisted method of structure based drug design, and includes the steps of : (a) providing atomic coordinates that define the three dimensional structure of an HDAC/MEF2/DNA complex or component thereof or a Cabinl/MEF2/DNA complex or component thereof, including a model of a component that uses as a template the actual atomic coordinates provided herein, and including any of the three dimensional structures or atomic coordinates described herein; and (b) identifying at least one candidate compound for interacting with the three dimensional structure of an active site in MEF2, HDAC, Cabinl, an HDAC and MEF2 complex, or a Cabinl and MEF2 complex by performing structure based drug design with the structure of (a). The step of identifying is typically performed in conjunction with computer modeling.

According to the present invention, a"cognate ligand"of a MEF2 protein is any protein that interacts with or more particularly, binds to, a MEF2 protein in nature (e. g. , under any normal, natural, or physiological conditions in vitro or in vivo). As such, the term"cognate"is intended to refer to the relationship in nature between MEF2 and other ligands. The term ligand is intended to generically or generally refer to any ligand, binding partner, corepressor, substrate (such terms being capable of use interchangeably) or other protein or compound with which MEF2 interacts. As such, the term implies any interaction relationship between MEF2 and another compound.

The structures and atomic coordinates used to perform the above-described method have been described in detail above and in the Examples section, and include any structural homologues of proteins described herein. According to the present invention, the phrase"providing atomic coordinates that define the three dimensional structure"is defined as any means of obtaining, providing, supplying, accessing,

displaying, retrieving, or otherwise making available the atomic coordinates defining any three dimensional structures as described herein. For example, the step of providing can include, but is not limited to, accessing the atomic coordinates for the structure from a database or other source; importing the atomic coordinates for the structure into a computer or other database; displaying the atomic coordinates and/or a model of the structure in any manner, such as on a computer, on paper, etc.; and determining the three dimensional structure described by the present invention de novo using the guidance provided herein.

The second step of the method of structure based identification of compounds of the present invention includes identifying a candidate compound for interacting with an active site in MEF2, HDAC, Cabinl, an HDAC and MEF2 complex, or a Cabinl and MEF2 complex, represented by the structure model, by performing structure based drug design with the model of the structure. According to the present invention, the step of"identifying"can refer to any screening process, modeling process, design process, or other process by which a compound can be selected as useful for binding or inhibiting the activity of protein or complex according to the present invention. Methods of structure-based identification of compounds are described in detail below. As discussed above, the interaction of MEF2 with its cognate or natural ligands (e. g. , corepressors such as HDACs and Cabinl or proteins such as p300) regulate the expression and activity of a variety of genes involved in the development and adaptive responses of a variety of cells, including muscle cells, neuronal cells, and T cells. Therefore, the selection of compounds that compete with, disrupt or otherwise inhibit the biological activity of such complexes, or alternatively that enhance, activate or otherwise stimulate the biological activity of such complexes are highly desirable. Such compounds can be designed using structure based drug design using models of the structures disclosed herein. Until the discovery of the three dimensional structures of the complexes of the present invention, the only information available for the development of therapeutic compounds based was based on the primary sequence of the components and mutagenesis studies directed to the isolated protein, and the tertiary structure of MEF2A in complex with DNA, but without the interaction of the cognate ligands (Cabinl and HDAC (MITR) ) described herein.

Structure based identification of compounds (e. g. , structure based drug design, structure based compound screening, or structure based structure modeling) refers to

the prediction or design of a conformation of a peptide, polypeptide, protein, or to the prediction or design of a conformational interaction between such protein, peptide or polypeptide, and a candidate compound, by using the three dimensional structure of the peptide, polypeptide or protein. Typically, structure based identification of compounds is performed with a computer (e. g. , computer-assisted drug design, screening or modeling). For example, generally, for a protein to effectively interact <BR> <BR> with (e. g. , bind to) a compound, it is necessary that the three dimensional structure of the compound assume a compatible conformation that allows the compound to bind to the protein in such a manner that a desired result is obtained upon binding.

Knowledge of the three dimensional structure of the components of the complexes described herein in the conformation in which they bind to one another enables a skilled artisan to design a compound having such compatible conformation, or to select such a compound from available libraries of compounds and/or structures thereof. For example, knowledge of the three dimensional structure of the ligand binding groove of MEF2 dimers or of the differing placement of the amphipathic helices of Cabinl and HDAC within this groove enables one of skill in the art to design or select a compound structure that is predicted to bind to MEF2 or the ligand at that site and result in, for example, inhibition of the binding of MEF2 to its natural ligand or inhibition of the binding of HDAC, Cabin 1, or another MEF2 ligand (e. g., p300) to a natural MEF2 protein. Thereby, one can inhibit a biological response such as repression of gene transcription. Similarly, one can design or select (identify) a compound that has the opposite, or stimulatory effect on the complex components. In addition, for example, knowledge of the three dimensional structure of the proteins and complex herein enables a skilled artisan to design an analog of, for example, Cabinl, HDAC or MEF2.

Suitable structures and models useful for structure based drug design are disclosed herein. Preferred target structures to use in a method of structure based drug design include any representations of structures produced by any modeling method disclosed herein, including molecular replacement and fold recognition related methods.

According to the present invention, the step of identifying, selecting or designing a compound for testing in a method of structure based identification of the present invention can include creating a new chemical compound structure or searching databases of libraries of known compounds (e. g. , a compound listed in a

computational screening database containing three dimensional structures of known compounds). Designing can also be performed by simulating chemical compounds having substitute moieties at certain structural features. The step of designing can include selecting a chemical compound based on a known function of the compound.

A preferred step of designing comprises computational screening of one or more databases of compounds in which the three dimensional structure of the compound is <BR> <BR> known and is interacted (e. g. , docked, aligned, matched, interfaced) with the three dimensional structure of a complex of the invention (or protein or DNA component thereof) by computer (e. g. as described by Humblet and Dunbar, Animal Reports in Medicinal Chemistry, vol. 28, pp. 275-283,1993, M Venuti, ed., Academic Press).

The compound itself, if identified as a suitable candidate by the method of the invention, can be synthesized and tested directly with one or more of the components in a MEF2-MEF2 ligand complex, and additionally with DNA, for example, in a biological assay. Methods to synthesize suitable chemical or protein-based compounds are known to those of skill in the art and depend upon the structure of the chemical being synthesized. Such methods are discussed in detail below. Methods to evaluate the bioactivity of the synthesized compound depend upon the bioactivity of the compound (e. g. , inhibitory or stimulatory) and are discussed herein.

Various other methods of structure-based drug design are disclosed in Maulik <BR> <BR> et al. , 1997, Molecular Biotechnology : Therapeutic Applications and Strategies,<BR> Wiley-Liss, Inc. , which is incorporated herein by reference in its entirety. Maulik et al. disclose, for example, methods of directed design, in which the user directs the process of creating novel molecules from a fragment library of appropriately selected fragments; random design, in which the user uses a genetic or other algorithm to randomly mutate fragments and their combinations while simultaneously applying a selection criterion to evaluate the fitness of candidate ligands; and a grid-based approach in which the user calculates the interaction energy between three dimensional receptor structures and small fragment probes, followed by linking together of favorable probe sites.

In a molecular diversity strategy, large compound libraries are synthesized, for example, from peptides, oligonucleotides, carbohydrates and/or synthetic organic molecules, using biological, enzymatic and/or chemical approaches. The critical parameters in developing a molecular diversity strategy include subunit diversity, molecular size, and library diversity. The general goal of screening such libraries is to

utilize sequential application of combinatorial selection to obtain high-affinity ligands for a desired target, and then to optimize the lead molecules by either random or directed design strategies. Methods of molecular diversity are described in detail in Maulik, et al., ibid.

Maulik et al. also disclose, for example, methods of directed design, in which the user directs the process of creating novel molecules from a fragment library of appropriately selected fragments; random design, in which the user uses a genetic or other algorithm to randomly mutate fragments and their combinations while simultaneously applying a selection criterion to evaluate the fitness of candidate ligands; and a grid-based approach in which the user calculates the interaction energy between three dimensional receptor structures and small fragment probes, followed by linking together of favorable probe sites.

In the present method of structure based identification of compounds, it is not <BR> <BR> necessary to align the structure of a candidate chemical compound (i. e. , a chemical compound being analyzed in, for example, a computational screening method of the present invention) to each residue in a target site (target sites will be discussed in detail below). Suitable candidate chemical compounds can align to a subset of residues described for a target site. Preferably, a candidate chemical compound comprises a conformation that promotes the formation of covalent or noncovalent crosslinking between the target site and the candidate chemical compound. In one aspect, a candidate chemical compound binds to a surface adjacent to a target site to provide an additional site of interaction in a complex. When designing an antagonist <BR> <BR> (e. g. , a chemical compound that inhibits the biological activity of a MEF2 protein or an HDAC protein), for example, the antagonist should bind with sufficient affinity to <BR> <BR> the target binding site or substantially prohibit a ligand (e. g. , a molecule that specifically binds to the target site) from binding to a target site. It will be appreciated by one of skill in the art that it is not necessary that the complementarity between a candidate chemical compound and a target site extend over all residues specified here in order to inhibit or promote binding of a ligand.

In general, the design of a chemical compound possessing stereochemical complementarity can be accomplished by techniques that optimize, chemically or geometrically, the"fit"between a chemical compound and a target site. Such techniques are disclosed by, for example, Sheridan and Venkataraghavan, Acc. Chem Res., vol. 20, p. 322,1987 : Goodford, J. Med. Chem., vol. 27, p. 557,1984 ; Beddell,

Chem. Soc. Reviews, vol. 279,1985 ; Hol, Angew. Chem., vol. 25, p. 767,1986 ; and Verlinde and Hol, Structure, vol. 2, p. 577,1994, each of which are incorporated by this reference herein in their entirety.

One embodiment of the present invention for structure based drug design comprises identifying a compound (e. g. , a chemical compound) that complements the shape of a component of a MEF2-MEF2 ligand complex, including a portion of MEF2 (including, but not limited to, MEF2B), HDAC (including, but not limited to, HDAC9, MITR isoform) or Cabinl. Such method is referred to herein as a "geometric approach". In a geometric approach, the number of internal degrees of freedom (and the corresponding local minima in the molecular conformation space) is reduced by considering only the geometric (hard-sphere) interactions of two rigid bodies, where one body (the active site) contains"pockets"or"grooves"that form binding sites for the second body (the complementing molecule, such as a ligand).

The geometric approach is described by Kuntz et al., J. Mol. Biol., vol. 161, p.

269,1982, which is incorporated by this reference herein in its entirety. The algorithm for chemical compound design can be implemented using the software program DOCK Package, Version 1.0 (available from the Regents of the University of California). Pursuant to the Kuntz algorithm, the shape of the cavity or groove on <BR> <BR> the surface of a structure (e. g. , MEF2-MEF2 ligand complex) at a binding site or interface is defined as a series of overlapping spheres of different radii. One or more extant databases of crystallographic data (e. g. , the Cambridge Structural Database System maintained by University Chemical Laboratory, Cambridge University, Lensfield Road, Cambridge CB2 IEW, U. K. ) or the Protein Data Bank maintained by Brookhaven National Laboratory, is then searched for chemical compounds that approximate the shape thus defined.

Chemical compounds identified by the geometric approach can be modified to satisfy criteria associated with chemical complementarity, such as hydrogen bonding, ionic interactions or Van der Waals interactions.

Another embodiment of the present invention for structure based identification of compounds comprises determining the interaction of chemical groups ("probes") with an active site at sample positions within and around a binding site or interface, resulting in an array of energy values from which three dimensional contour surfaces at selected energy levels can be generated. This method is referred to herein as a "chemical-probe approach. "The chemical-probe approach to the design of a

chemical compound of the present invention is described by, for example, Goodford, J. Med. Chem., vol. 28, p. 849,1985, which is incorporated by this reference herein in its entirety, and is implemented using an appropriate software package, including for example, GRID (available from Molecular Discovery Ltd. , Oxford OX2 9LL, U. K.).

The chemical prerequisites for a site-complementing molecule can be identified at the outset, by probing the active site of a MEF2 complex or component thereof, for <BR> <BR> example, (e. g. , as represented by the atomic coordinates shown in one of Tables 1-2)<BR> with different chemical probes, e. g. , water, a methyl group, an amine nitrogen, a carboxyl oxygen and/or a hydroxyl. Preferred sites for interaction between an active site and a probe are determined. Putative complementary chemical compounds can be generated using the resulting three dimensional pattern of such sites.

According to the present invention, suitable candidate compounds to test using the method of the present invention include proteins, peptides or other organic molecules, and inorganic molecules. Suitable organic molecules include small organic molecules. Peptides refer to small molecular weight compounds yielding two or more amino acids upon hydrolysis. A polypeptide is comprised of two or more peptides. As used herein, a protein is comprised of one or more polypeptides.

Preferred therapeutic compounds to design include peptides composed of"L"and/or "D"amino acids that are configured as normal or retroinverso peptides, peptidomimetic compounds, small organic molecules, or homo-or hetero-polymers thereof, in linear or branched configurations. Suitable compounds for design or identification are described in detail below.

Preferably, a compound that is identified by the method of the present invention originates from a compound having chemical and/or stereochemical complementarity with a site on one or more components of an HDAC/MEF2/DNA complex or a Cabinl/MEF2/DNA complex as described herein. Such complementarity is characteristic of a compound that matches the surface of the protein (s) either in shape or in distribution of chemical groups and binds to protein (s) <BR> <BR> to regulate (e. g. , by inhibition or stimulation/enhancement) binding of a MEF2 to one or more of its cognate ligands, for example, or to otherwise inhibit the biological activity of MEF2 or one or more of its cognate ligands. More preferably, a compound that binds to a binding site on either MEF2 or its cognate ligand associates with an affinity of at least about 10 M, and more preferably with an affinity of at least about 10-7M, and more preferably with an affinity of at least about 10-8 M.

Preferably, the following general sites of a MEF2/MEF2-ligand/DNA complex or components thereof are targets for structure based drug design or identification of candidate compounds and lead compounds (also referred to herein as target sites or active sites), although other sites may become apparent to those of skill in the art based on the three-dimensional structures provided herein. Although many of the sites described below are illustrated with respect to the specific amino acid sequence of a particular HDAC, MEF2 or Cabinl protein, because the tertiary structures are predicted to be highly similar in homologous target sites on other highly <BR> <BR> related proteins and complexes (e. g. , the homologous protein in different mammalian species; different MEF2 proteins that are structurally related; different HDAC proteins that are structurally related, and particularly the class II HDAC proteins (e. g., any isoform of HDAC4, HDAC5, HDAC7 or HDAC9); any isoform of Cabinl), it is to be understood that the description of the target sites is intended to encompass all other such homologues of the exemplified sequences and structures. One of skill in the art can readily extrapolate the amino acid residues within a sequence described herein to the corresponding amino acid residues in a highly related sequence simply by aligning the related sequences. More specifically, one of skill in the art can readily determine whether a given sequence aligns with another sequence, as well as identify conserved regions of sequence identity or homology within sequences, by using any of a number of software programs that are publicly available. For example, one can <BR> <BR> use BLOCKS (GIBBS) and MAST (Henikoff et al. , 1995, Gene, 163,17-26 ; Henikoff<BR> et al. , 1994, Genomics, 19,97-107), typically using standard manufacturer defaults.

An example of the ability to align sequences and determine relevant target sites with regard to MEF2 binding is illustrated in Fig. 4. Referring to Fig. 4, a hyphen represents identity to the top sequences in the sequence alignment shown here. The MEF2-binding residues in Cabinl (SEQ ID NO : 17), HDAC4 (SEQ ID NO : 18), HDAC5 (SEQ ID NO : 19), and HDAC9 (SEQ ID NO : 20) are shown. The amphipathic a-helix is shown as a bar above the sequence. A putative MEF2-binding motif in p300 (SEQ ID NO : 21) is also listed. The sequence of HDAC4 corresponds to residues 161-186 of the HDAC sequence.

The preferred target sites include, but are not limited to: (1) at least a portion of the interface between a dimer of MEF2 proteins and HDAC or Cabin 1 ; (2) a ligand groove formed by the H2 helices and a-sheet comprising the S3 P-strands of a

MEF2 dimer; (3) a surface groove formed by (3-strands S2 and S3 and linkers between S2, H2, and S3 of a MEF2 dimer; (4) one or both MEF2S domains of a MEF2 dimer; (5) an amphipathic helix of HDAC or Cabinl that binds to a hydrophobic ligand groove formed by the H2 helices of a MEF2 dimer; (6) the hydrophobic face of such an amphipathic helix of HDAC or Cabinl as described in (5) ; (7) at least a portion of an amphipathic helix of Cabinl comprising or aligning with amino acids represented by SEQ ID NO : 17; (8) a beta sheet-like interaction between loop I of MEF2 and the N-terminal tail of HDAC; (9) the first 200-250 N-terminal amino acids of an HDAC; (10) the first 160 N-terminal amino acid residues of an HDAC; (11) at least a portion of an amphipathic helix of an HDAC comprising or aligning with amino acids represented by any one of SEQ ID NO : 18, SEQ ID NO : 19 or SEQ ID NO : 20. These target sites are described in detail in the Examples and the Figures. Combinations of any of these general sites are also suitable target sites. These sites are generally referenced with regard to the tertiary structure of the sites. Even if some of such sites were generally known or hypothesized to be important sites prior to the present invention based on the linear sequence and mutational analysis or binding studies of MEF2, Cabinl or any HDAC, the present invention actually defines the sites in three dimensions and confirms or newly identifies residues that are important targets that could not be confirmed or identified prior to the present invention. The use of any of these target sites as a three dimensional structure is novel and encompassed by the present invention. Many of these target sites are further described below and illustrated in the Figures and Examples of the invention.

The Examples section and the discussion above and below provide specific detail regarding the structure of the complexes of Cabinl/MEF2/DNA or HDAC/MEF2/DNA and target sites of these complexes and components thereof based on the three-dimensional structures described herein, including the identification of important residues in the structures. It is to be understood, however, that one of skill in the art, using the description of these specific structures provided herein, will be able to identify compounds that are potential candidates for modulating the biological activity of these and other related complexes and components (e. g., other class II HDACs, such as any isoform or splice variant of HDAC4, HDAC5, or HDAC7 and other isoforms of HDAC9 which have homologous residues in many of the target sites and which can easily be modeled now using the template of atomic

coordinates disclosed herein for the HDAC9 isoform MITR). All such embodiments are encompassed by the present invention.

Particularly preferred MEF2 residues that could be targeted for inhibitor or other regulatory compound design include or align with, but are not limited to (with respect to SEQ ID NO : 2): Gln56, Met62, Asp63, Leu66, Leu67, Tyr69, Thr70, Tyr72, Ser73, Glu74, Pro75, and Ser78. Although these are amino acid positions with respect to SEQ ID NO : 2, which is human MEF2B, it is to be understood that the corresponding target residues can now be easily determined in other MEF2 proteins, such as MEF2A, and in MEF2 proteins from other species (e. g. , mouse MEF2).

Particularly preferred Cabinl residues that could be targeted for inhibitor or other regulatory compound design include or align with, but are not limited to (with respect to SEQ ID NO : 14): Lys2161, Gly2162, Ser2163, Ile2164, Thr2168, Lys2169, Lys2171, Leu2172, Lys2173, Ile2176 Leu2177, Ser2182, Ala2182, Ala2183, and Asn2184.

Particularly preferred HDAC residues that could be targeted for inhibitor or other regulatory compound include or align with, but are not limited to: Va1143, Lysl44, Lysl46, Leul47, Glnl48, Phel50, Leul51, and Phel77. Although these are amino acid positions with respect to SEQ ID NO : 4, which is murine MITR, it is to be understood that the corresponding target residues can now be easily determined in other HDAC proteins, such as HDAC4, HDAC5, HDAC7, other isoforms of HDAC9, <BR> <BR> and in HDAC proteins from other species (e. g. , human HDAC). Indeed, Fig. 4 illustrates how one of skill in the art can readily identify homologous regions of the related HDAC proteins and even extend the homology to other MEF2 ligands, such as Cabinl and p300.

A candidate compound for binding to or otherwise modulating (regulating, modifying, upregulating, downregulating) the activity of a protein or complex of the invention, including to one of the preferred target sites described above, is identified by one or more of the methods of structure-based identification discussed above. As used herein, a"candidate compound"refers to a compound that is selected by a method of structure-based identification described herein as having a potential for binding to a component of a MEF2-MEF2 ligand-DNA complex or component thereof on the basis of a predicted conformational interaction between the candidate compound and the target site used in the method of identification. The ability of the candidate compound to actually bind to the protein or target site can be determined

using techniques known in the art, as discussed in some detail below. A"putative compound"is a compound with an unknown regulatory activity, at least with respect to the ability of such a compound to bind to and/or regulate MEF2 or a cognate ligand thereof as described herein. Therefore, a library of putative compounds can be screened using structure based identification methods as discussed herein, and from the putative compounds, one or more candidate compounds for binding to, otherwise regulating, or even mimicking the target protein or site thereof can be identified.

Alternatively, a candidate compound for binding to or mimicking a target protein or site can be designed de novo using structure based drug design, also as discussed above.

Accordingly, in one aspect of the present invention, the method of structure- based identification of compounds that potentially bind to or modulate (regulate) the interaction of MEF2 with one or more of its cognate ligands further includes steps which confirm whether or not a candidate compound has the predicted properties with respect to its effect on the actual protein (s) or complex, preferably by synthesizing the candidate compound and conducting biological, molecular or chemical assays to select those compounds that actually have the desired activity in vitro, ex vivo or in vivo. In one embodiment, the candidate compound is predicted to be an inhibitor of the binding of MEF2 to at least one of its ligands, and the method further includes producing or otherwise obtaining a candidate compound selected in the structure based method and determining whether the compound actually has the predicted effect on MEF2, its ligand, or the complex between the two, or a biological activity resulting from the natural interaction between MEF2 and its ligand. For example, one can additionally contact the candidate compound selected in the structure based identification method with a target protein or a fragment thereof (e. g. , MEF 2, an HDAC, Cabin 1) under conditions in which the protein binds to one or more ligands or substrates in the absence of the candidate compound; and measuring the binding affinity of the protein or fragment thereof for its ligand, substrate or a fragment thereof. In this example (binding), a candidate inhibitor compound is selected as a compound that inhibits the binding of the protein to its ligand or substrate when there is a decrease in the binding affinity of the protein or fragment thereof for the ligand, substrate or fragment thereof, as compared to in the absence of the candidate inhibitor compound.

In another embodiment, the candidate compound is predicted to inhibit the biological activity of a target protein, and the method further comprises contacting the actual candidate compound selected by the structure-based identification method with the protein (s) or a targeted fragment thereof, under conditions wherein in the absence of the compound, the protein is biologically active, and measuring the ability of the candidate compound to inhibit the activity of the protein.

In another embodiment, the candidate compound, or modeled protein structure in some embodiments, is predicted to be a mimic or homologue of the natural protein and is predicted to have modified biological activity as compared to the natural protein. For example, one can model and then produce and test an HDAC homologue that has different binding affinity or avidity for MEF2B as compared to the natural HDAC, or a homologue that has increased or decreased biological activity as compared to the natural HDAC protein. Such homologues can be useful in various biological assays, as competitive inhibitors (lead compounds or actual therapeutic compounds), or even in the production of genetically engineered organisms.

In one embodiment, the conditions under which a protein or proteins according to the present invention are contacted with a candidate compound, such as by mixing, are conditions in which the protein or proteins are not stimulated (activated) and/or bound to a natural ligand (substrate) if essentially no candidate compound is present. In one aspect, a natural ligand can be added before, simultaneously with, or after contact with the candidate compound to determine the effect of the compound on the binding of the proteins in the assay or the biological activity of one or more of the proteins or components in the assay. Alternatively, this aspect can be designed simply to determine whether the candidate compound binds to the target protein or site (i. e. , in the absence of any additional testing, such as by addition of ligands).

In another embodiment, the conditions under which a protein or complex according to the present invention is contacted with a candidate compound, such as by mixing, are conditions in which the protein is normally bound by a ligand or activated if essentially no candidate compound is present. Such conditions can include, for example, contact of MEF2 or its ligand with the appropriate binding partner. In this embodiment, the candidate compound can be contacted with the protein prior to the contact of the protein with the binding partner (e. g. , to determine whether the candidate compound blocks or otherwise inhibits the binding of the protein to the

binding partner or the biological activity of the protein), or after contact of the protein <BR> <BR> with the binding partner (e. g. , to determine whether the candidate compound downregulates, or reduces the biological activity of the protein after the initial contact with the substrates).

It is noted that the assays described herein can readily be adapted to test and select stimulatory (enhancing, activating) compounds.

Some of the methods described herein involve contacting a protein (e. g., MEF2, HDAC, Cabinl, or a portion thereof) with the candidate compound being tested for a sufficient time to allow for binding to, activation or inhibition of the protein or complex by the candidate compound. The period of contact with the candidate compound being tested can be varied depending on the result being measured, and can be determined by one of skill in the art. For example, for binding assays, a shorter time of contact with the candidate compound being tested is typically suitable, than when activation is assessed. As used herein, the term"contact period" refers to the time period during which a protein is in contact with the compound being tested. It will be recognized that shorter incubation times are preferable because compounds can be more rapidly screened.

The assays of the present invention can include cell-based assays and non-cell- based assays. A particularly preferred non-cell-based assay is an electrophoresis mobility shift assay (EMSA) as described in the Examples. More specifically, the present inventors have established an electrophoresis mobility shift assay (EMSA) to monitor the formation of the ternary Cabinl/MEF2/DNA and the HDAC9/MEF2/DNA complexes. Using this technique, the inventors can form by titration both the Cabinl/MEF2/DNA (Fig. 5) and the HDAC4/MEF2/DNA complexes (not shown). By way of illustration, in Fig. 5, the electrophoresis mobility shift assay (EMSA) was performed in a buffer of 20 mM Hepes (pH 7.7), 100 mM NaCI, 1 mM DTT, and 10% glycerol. The concentration of DNA was kept at 26 pM, and approximately 52 M of MEF2B was used in all binding reactions except the DNA control (Lane 1). The binding reactions were analyzed on a 4-20% gradient native PAGE in TBE and stained with ethidium bromide. The molar ratio of Cabinl to the MEF2 dimer in each binding reaction is indicated on top of the gel. This method is extremely useful for screening molecular inhibitors of MEF2 that can disrupt the formation of the Cabinl/MEF2/DNA or HDAC/MEF2/DNA ternary

complex but not the MEF2/DNA binary complex, for example. Several other laboratories have attempted to develop this method for inhibitor screen but have not been successful. To the present inventors'knowledge, they are the first to succeed in using EMSA to monitor the formation of the MEF2/co-regulator/DNA complex.

Therefore, the inventors propose the use of this assay as a primary tool in the screening of small molecule inhibitors.

Other binding assays, and methods of determining regulation of gene expression will be apparent to those of skill in the art. In one embodiment, a BIAcore machine can be used to determine the binding constant of a complex between protein and a candidate compound or between a protein and its binding partner or ligand, for example, in the presence and absence of the candidate compound. The dissociation constant for the complex can be determined by monitoring changes in the refractive index with respect to time as buffer is passed over the chip (O'Shannessy et al. Anal.

Biochem. 212: 457-468 (1993); Schuster et al., Nature 365: 343-347 (1993)).

Contacting a candidate compound at various concentrations with the protein and <BR> <BR> monitoring the response function (e. g. , the change in the refractive index with respect to time) allows the complex dissociation constant to be determined in the presence of the candidate compound.

Other suitable assays for measuring the binding of a candidate compound to a protein, and/or for measuring the ability of such compound to affect the binding of protein to its binding partner or ligand include, for example, Western blot, immunoblot, enzyme-linked immunosorbant assay (ELISA), radioimmunoassay (RIA), immunoprecipitation, surface plasmon resonance, chemiluminescence, fluorescent polarization, phosphorescence, immunohistochemical analysis, matrix- assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry, microcytometry, microarray, microscopy, fluorescence activated cell sorting (FACS), and flow cytometry.

In one aspect, an assay for selecting a candidate compound for regulating the interaction of MEF2 with one or more of its cognate ligands can include detecting the transcription of a gene or reporter gene fused to its promoter that is known to be regulated by a complex of MEF2 and a ligand. Expression of transcripts is measured by any of a variety of known methods in the art. For RNA expression, methods include but are not limited to: extraction of cellular mRNA and Northern blotting using labeled probes that hybridize to transcripts encoding all or part of a gene;

amplification of mRNA expressed from the gene using gene-specific primers, polymerase chain reaction (PCR), and reverse transcriptase-polymerase chain reaction (RT-PCR), followed by quantitative detection of the product by any of a variety of means (e. g., polyacrylamide gel analysis, chromatography or spectroscopy); extraction of total RNA from the cells, which is then labeled and used to probe cDNAs or oligonucleotides encoding all or part of the genes of this invention, arrayed on any of a variety of surfaces ; in situ hybridization; and detection of a reporter gene.

The term"quantifying"or"quantitating"when used in the context of quantifying transcription levels of a gene can refer to absolute or to relative quantification.

Absolute quantification may be accomplished by inclusion of known concentration (s) of one or more target nucleic acids and referencing the hybridization intensity of unknowns with the known target nucleic acids (e. g. through generation of a standard curve). Alternatively, relative quantification can be accomplished by comparison of hybridization signals between two or more genes, or between two or more treatments to quantify the changes in hybridization intensity and, by implication, transcription level.

Candidate compounds identified by the present invention can include agonists of MEF2 or MEF2 ligand activity and antagonists of MEF2 or MEF2 ligand activity, with the identification of antagonists or inhibitors being preferred. As used herein, the phrase"agonist"refers to any compound that interacts with MEF2 or a MEF2 ligand and elicits an observable response. More particularly, a MEF2 or MEF2 ligand agonist can include, but is not limited to, a protein (including an antibody), a peptide, a nucleic acid or any suitable product of drug design (e. g. , a mimetic) which is<BR> characterized by its ability to agonize (e. g. , stimulate, induce, increase, enhance) the biological activity of a naturally occurring MEF2 or MEF2 ligand in a manner similar to a natural agonist. An"antagonist"refers to any compound which inhibits the biological activity of MEF2 or a MEF2 ligand and particularly, which inhibits the effect of the interaction of MEF2 with its natural substrates. More particularly, a MEF2 or MEF2 ligand antagonist (e. g. , an inhibitor) is capable of associating with MEF2 or MEF2 ligand such that the biological activity of the protein is decreased (e. g. , reduced, inhibited, blocked, reversed, altered) in a manner that is antagonistic<BR> (e. g. , against, a reversal of, contrary to) to the natural activity of the protein (e. g. , the activity induced under normal conditions in the presence of natural substrates or ligands). It is noted that the three dimensional structures disclosed herein can be used

to design or identify candidate compounds that agonize or antagonize the interactions of MEF2 with its cognate ligands.

The atomic coordinates that define the three dimensional structure of MEF2 and its ligands, Cabinl and MITR in complex with DNA, and the step of obtaining such coordinates have been described in detail previously herein with regard to the method of structure based identification of compounds. Computer modeling methods suitable for modeling the atomic coordinates to identify sites in the structures described herein that are predicted to contribute to the biological activity of such complexes and similar complexes, as well as for modeling homologues of the components that are predicted to interact with their binding partner, have been discussed generally above. A variety of computer software programs for modeling and analyzing three dimensional structures of proteins are publicly available. The Examples section describes in detail the use of a few of such programs to analyze the three dimensional structures. Such computer software programs include, but are not limited to, the graphical display program O (Jones et. al., Acta Crystallography, vol.

A47, p. 110,1991), the graphical display program GRASP, MOLSCRIPT 2.0 (Avatar Software AB, Heleneborgsgatan 21C, SE-11731 Stockholm, Sweden), CNS (Brunger, et al. Crystallography & NMR system: A new software suite for macromolecular <BR> <BR> structure determination. Acta Crystallogr D Biol Crystallogr 54, 905-21. (1998) ), the program CONTACTS from the CCP4 suite of programs (Bailey, 1994, Acta Cryst.

D50: 760-763), or the graphical display program INSIGHT.

The present inventors have identified multiple sites on MEF2 and its binding partners Cabinl and MITR, which are believed to contribute to the biological activity of complexes of these proteins with DNA. These sites and amino acid positions have been discussed in detail above and in the Examples. Using similar methods of analysis of the models, one can identify or further analyze sites on the proteins, <BR> <BR> complexes, or on other models of related proteins and complexes (e. g. , other class II HDAC proteins and their complex with MEF2 proteins) which are predicted to affect (contribute to) the interaction and/or biological activity of such proteins and complexes.

Once target sites for modification on the proteins described herein are identified, homologues having modifications at these sites can be produced and evaluated to determine the effect of such modifications on biological activity. In one <BR> <BR> embodiment, a homologue of MEF2 or one or more of its ligands (e. g. , an HDAC,

Cabinl, p300, etc. ) can be modeled on a computer to produce a computer model of a homologue which predicts the effects of given modifications on the structure of the protein and its subsequent interaction with other molecules. Such computer modeling techniques are well known in the art.

In another aspect, or subsequent to an initial computer generation and evaluation of a homologue model, an actual homologue protein can be produced and evaluated by modifying target sites of a natural protein to produce a modified or mutant protein. Homologues of the present invention can be produced using techniques known in the art including, but not limited to, direct modifications to the protein or modifications to the gene encoding the protein using, for example, classic or recombinant DNA techniques to effect random or targeted mutagenesis. Examples of the modification of HDAC4 based on the structural information derived from the complex of HDAC9 (MITR) with MEF2B are described in the Examples.

Therefore, the present invention also includes producing a model of a three- dimensional structure of a MEF2, HDAC, Cabinl protein, other MEF2 ligand, or complex of a MEF2 protein with the MEF2 ligand, other than those specifically exemplified in the resolved crystal structures disclosed herein. The present inventors have provided detailed information regarding the tertiary structure of MEF2B and Cabin 1 or the HDAC9 isoform MITR as they exist in conformation with one another and with DNA. This structural information can be used to model other MEF2 proteins, other HDAC proteins, and particularly other class II HDAC proteins, and even other MEF2 ligands, or portions of any of such molecules. Such models can then be used to perform structure-based identification of compounds that regulate the interaction of the modeled proteins or complexes as for the originally crystallized structure.

By way of a more particular example, the atomic coordinates of the three- dimensional structures of the Cabinl/MEF2/DNA complex and/or the HDAC/MEF2/DNA complex can be used as the template to build a three-dimensional model of other related complexes, such as a MEF2 protein in complex with a different class II HDAC. Secondary structure prediction can be performed on the additional models and the validity of the alignments of primary structures can be performed. For example, secondary structure prediction methods include, but are not limited to, PHD <BR> <BR> (B. Rost et al. , CABIOS, vol. 10,266-275 (1994) ) and PREDATOR (D. Frishman and<BR> P. Argos, Proteins, vol. 27,329-335 (1997) ). More specifically, a program such as

MODELER (A. Sali and T. L. Blundell, J. Mol. Biol., vol. 234,779-815 (1993) ) implemented in the InsightII_Homology software package (Insight II (97.0), MSI, San Diego) can be used to generate three-dimensional models of other related proteins and complexes using a number of different initial sequence alignments and the structural templates of the crystallized proteins and complexes. Multiple Modeler runs can be generated, and the best model from these runs is selected. The criteria for judging the"best"model can include the lowest value of the Modeler objective <BR> <BR> function, "well-behaved"PROSAII (M. Sippl, Proteins, vol. 17,355-362 (1993) ) residue energy plot for the model (for example, negative residue energy scores throughout the sequence), and"well-behaved"PROFILES-3D (J. U. Bowie et al., <BR> <BR> Science, vol. 253,164-170 (1991) ) local 3D-1D compatibility score plot (for example, positive plot scores throughout the sequence). Then, a program such as Modeler can be used to generate multiple different structural models of the protein or complex using the sequence alignment and template selected above, and using the determined parameter values and options. The model with the lowest-ln (Mpdf) value is then selected as the template to generate structural models of the protein or complex sequence in the next cycle of Modeler runs. At the end of several of such cycles, the "best"three-dimensional model of the structure is selected as the final structural model of the protein or complex, and the corresponding heavy (non-hydrogen) atom cartesian coordinates are determined. The structure can be further validated with the programs PROSAII, PROFILES-3D, and PROCHECK (R. M. Laskowski et al., <BR> <BR> J. Appl. Cryst. vol. 26,283-291 (1993) ). Other methods of producing a model of a related protein based on a template of structural coordinates will be known in the art.

One embodiment of the present invention relates to an isolated homologue (e. g. , mutant) of MEF2, an HDAC (preferably a class II HDAC such as HDAC4, HDAC5, HDAC7 or HDAC9), Cabinl, or of another MEF2 binding partner (e. g., p300) which comprises at least one amino acid modification as compared to the naturally occurring protein, or portion of such a homologue that contains the modification. Such a homologue preferably has modified biological activity, including, but not limited to, modified biological activity, modified substrate binding, and/or modified substrate specificity, as compared to the wild-type protein, or equivalent fragment/portion of the wild-type protein. The modifications to the amino acid sequence of the homologue can include modifications within any of the target sites of target amino acid residues that have been identified herein by the

determination of the three-dimensional structure of the complexes of Cabinl/MEF2/DNA or MITR/MEF2/DNA.

As described above, MEF2 has been implicated in regulating the hypertrophic response in cardiac muscles. Heart hypertrophy can lead to heart failure, myocardial infarction and many different cardiovascular diseases. For this reason, small molecule inhibitors of the MEF2 binding of co-regulators including class II HDACs and p300 are desired as a means to prevent and treat cardiomyopathies associated with MEF2 regulatory activity, as well as for treating any other conditions or disorders associated with the regulation of MEF2 and MEF2 ligand interactions, including those related to other cell types.

The structure of the ligand-binding pocket on MEF2 is shown in FIG. 2. A schematic of Cabin 1 in the MEF2 binding pocket is depicted in FIG. 3. As shown in FIG. 3, a lipophilic side chain on Cabin 1 interacts strongly with a hydrophobic pocket formed by the Leu66, Tyr69 and Thr70 residues on each MEF2 monomer.

Similarly, Met62, Leu66 and Leu67 of one MEF2 monomer form another hydrophobic pocket with Tyr69 of the other MEF2B monomer. Lipophilic, aliphatic side chains of Cabin 1 also bind in this second hydrophobic pocket.

Structure-based strategies for designing MEF2-binding inhibitors are realized in view of the crystallographic structures of the present invention. Specifically, hydrophobic functional groups resembling the amino acid side chains of Cabinl (Val, Leu and Ile) and aromatic functional groups similar to amino acids such as Phe and Try can be combined in small molecules that attain the correct orientation to insert into the hydrophobic pocket formed by L66, L67 and M62 on each monomer of the MEF2 binding site and a pocket formed by L66, T70 and Y69 of both MEF2 monomers. Additionally, the aromatic functional groups on these molecules are designed to interact with Y69 of each monomer respectively. These small molecules designed by molecular modeling can then be synthesized and tested in the electrophoresis mobility shift assay described above.

The features of the ligand-binding pocket disclosed above have lead to the design and synthesis of compounds depicted generally as

Arl-R2-Q-Rl-Ar2 or Arl-RI-Q-R2-Ar2 in which Arl and Ar2 are Cs-Clo aromatic, C5-Cio heterocyclic or arylalkyl, R, and R2 are independently Cj-Cio alkyi or alkylene, and Q is C, C=C, C-Clo alkyl or phenyl.

Thus, R, and R2 and Q are lipophilic groups that will insert into the hydrophobic pockets of the MEF2 binding site similar to Cabin 1 while Ar and Ar2 are aromatic groups that are positioned to interact with tyrosine residue at position 69 of each MEF2 monomer. These molecules are therefore designed to bind or occupy the protein binding site of MEF2 dimer and inhibit the interaction with Cabin 1, class II HDACs, and p300.

"Alkyl"groups according to the present invention are aliphatic hydrocarbons which can be straight or branched chain groups. Alkyl groups optionally can be substituted with one or more substituents, such as a halogen, alkenyl, alkynyl, aryl, hydroxy, amino, alkoxy, carboxy or cycloalkyl. There may be optionally inserted along the alkyl group one or more sites of unsaturation giving rise to one or more double or triple bonds. Exemplary alkyl groups include methyl, ethyl, isopropyl, n- butyl, t-butyl, pentane, 2-methylpentane, 3-methylpentane, 4-methylpentane, hexane, and heptane.

"Aryl"groups are monocyclic or bicyclic carbocyclic or heterocyclic aromatic ring moieties. Aryl groups can be substituted with one or more substituents, such as a halogen, alkenyl, alkyl, alkynyl, hydroxy, amino, thio, alkoxy or cycloalkyl.

"Heterocyclic"refers to an aromatic ring having at least one non-carbon ring substituent. Exemplary heterocyclic rings include pyrrole, thiophene, furan, imidazole, pyrazole, pyridine, pyrimidine, pyridazine, thiazole, isothiazole, oxazole, isoxazole, quinoline, isoquinoline and indole.

"Di-aryl or heteroaryl"means a bicyclic ring system composed of two fused carbocyclic and/or heterocyclic aromatic rings. Exemplary di-aryl or heteroaryl rings include indene, isoindene, benzofuran, dihydrobenzofuran, benzothiophene, indole,

IH-indazole, indoline, azulene, tetrahydroazulene, benzopyrazole, benzoxazole, benzoimidazole, benzothiazole, 1,3-benzodioxole, 1,4-benzodioxan, purine, naphthalene, tetralin, coumarin, chromone, chromene, 1, 2-dihydrobenzothiopyran, tetrahydrobenzothiopyran, quinoline, isoquinoline, quinazoline, pyrido [3,4-b]- pyridine, and 1,4-benisoxazine.

"Aralkyl"refers to an alkyl group substituted with an aryl group. Suitable aralkyl groups include, without limitation, benzyl, methylene indole and phenylethyl.

Aralkyl groups may also be substituted with other suitable functional groups. Aralkyl groups include those with heterocyclic and carbocyclic aromatic moieties.

The compounds of present invention may be prepared by both conventional and solid phase synthetic techniques known to those skilled in the art. Useful conventional techniques include those disclosed by U. S. Patent Nos. 5,569, 769 and 5,242, 940, and PCT publication No. WO 96/37476, all of which are incorporated herein in their entirety by this reference.

Combinatorial synthetic techniques, however, are particularly useful for the synthesis of the compounds of the present invention. See, e. g., Brown, Contemporary Organic Synthesis, 1997,216 ; Felder and Poppinger, Adv. Drug Res., 1997, 30, 111; Balkenhohl et al., Angew. Chem. Int. Ed. Engl., 1996, 35, 2288; Hermkens et al., Tetrahedron, 1996, 52, 4527; Hermkens et al., Tetrahedron, 1997, 53, 5643; Thompson et al., Chem. Rev., 1996, 96, 555; and Nefzi et al., Chem. Rev., 1997,2, 449-472.

The compounds of the present invention can be synthesized from readily available starting materials. Various substituents on the compounds of the present invention can be present in the starting compounds, added to any one of the intermediates or added after formation of the final products by known methods of substitution or conversion reactions. If the substituents themselves are reactive, then the substituents can themselves be protected according to the techniques known in the art. A variety of protecting groups are known in the art, and can be employed.

Examples of many of the possible groups can be found in"Protective Groups in Organic Synthesis"by T. W. Green, John Wiley and Sons, 1981, which is incorporated herein in its entirety. For example, nitro groups can be added by nitration and the nitro group can be converted to other groups, such as amino by reduction, and halogen by diazotization of the amino group and replacement of the diazo group with halogen. Acyl groups can be added by Friedel-Crafts acylation. The acyl groups can

then be transformed to the corresponding alkyl groups by various methods, including the Wolff-Kishner reduction and Clemmenson reduction. Amino groups can be alkylated to form mono-and di-alkylamino groups; and mercapto and hydroxy groups can be alkylated to form corresponding ethers. Primary alcohols can be oxidized by oxidizing agents known in the art to form carboxylic acids or aldehydes, and secondary alcohols can be oxidized to form ketones. Thus, substitution or alteration reactions can be employed to provide a variety of substituents throughout the molecule of the starting material, intermediates, or the final product, including isolated products.

Since the compounds of the present invention can have certain substituents which are necessarily present, the introduction of each substituent is, of course, dependent on the specific substituents involved and the chemistry necessary for their formation. Thus, consideration of how one substituent would be affected by a chemical reaction when forming a second substituent would involve techniques familiar to one of ordinary skill in the art. This would further be dependent upon the ring involved.

It is to be understood that the scope of this invention encompasses not only the various isomers which may exist but also the various mixtures of isomers which may be formed.

If the compound of the present invention contains one or more chiral centers, the compound can be synthesized enantioselectively or a mixture of enantiomers and/or diastereomers can be prepared and separated. The resolution of the compounds of the present invention, their starting materials and/or the intermediates may be <BR> <BR> carried out by known procedures, e. g. , as described in the four volume compendium Optical Resolution Procedures for Chemical Compounds: Optical Resolution <BR> <BR> Information Center, Manhattan College, Riverdale, N. Y. , and in Enantiomers, Racemates and Resolutions, Jean Jacques, Andre Collet and Samuel H. Wilen; John Wiley &amp; Sons, Inc. , New York, 1981, which are incorporated herein in their entirety.

Basically, the resolution of the compounds is based on the differences in the physical properties of diastereomers by attachment, either chemically or enzymatically, of an enantiomerically pure moiety results in forms that are separable by fractional crystallization, distillation or chromatography.

When the compounds of the present invention contain an olefin moiety and such olefin moiety can be either cis-or trans-configuration, the compounds can be

synthesized to produce cis-or trans-olefin, selectively, as the predominant products.

Alternatively, the compound containing an olefin moiety can be produced as a mixture of cis-and trans-olefins and separated using known procedures, for example, by chromatography as described in W. K. Chan, et al., J. Am. Chem. Soc. , 1974,96, 3642, which is incorporated herein in its entirety.

The compounds of the present invention form salts with acids when a basic amino function is present and salts with bases when an acid function, e. g. , carboxylic acid or phosphonic acid, is present. All such salts are useful in the isolation and/or purification of the new products. Of particular value are the pharmaceutically acceptable salts with both acids and bases. Suitable acids include, for example, hydrochloric, oxalic, sulfuric, nitric, benzenesulfonic, toluenesulfonic, acetic, maleic, tartaric and the like which are pharmaceutically acceptable. Basic salts for pharmaceutical use include Na, K, Ca and Mg salts.

In addition to and/or instead of a rational drug design, other MEF2 binding inhibitors can be identified by the electrophoresis mobility shift screening process described above, in which a variety of compounds are tested to determine their MEF2 binding ability and MEF2 binding inhibition. In this manner, a variety of peptide MEF2 binding inhibitors have been identified. Thus, compounds of the present invention include substituted and unsubstituted small peptide MEF2 binding inhibitors and nucleosides and analogs thereof.

The compounds of the present invention can be administered to a patient to achieve a desired physiological effect. Preferably the patient is an animal, more preferably a mammal, and most preferably a human. The compound can be administered in a variety of forms adapted to the chosen route of administration, e. g., orally or parenterally. Parenteral administration in this respect includes, but is not limited to, administration by the following routes: intravenous; intramuscular; subcutaneous; intraocular; intrasynovial; transepithelially including transdermal, ophthalmic, sublingual and buccal; topically including ophthalmic, dermal, ocular, rectal and nasal inhalation via insufflation and aerosol; intraperitoneal; and rectal systemic.

The active compound can be orally administered, for example, with an inert diluent or with an assimilable edible carrier, or it can be enclosed in hard or soft shell gelatin capsules, or it can be compressed into tablets, or it can be incorporated directly with the food of the diet. For oral therapeutic administration, the active compound

may be incorporated with excipient and used in the form of ingestible tablets, buccal tablets, troches, capsules, elixirs, suspensions, syrups, wafers, and the like. Such compositions and preparation can contain at least 0. 1% of active compound. The percentage of the compositions and preparation can, of course, be varied and can conveniently be between about 1 to about 10% of the weight of the unit. The amount of active compound in such therapeutically useful compositions is such that a suitable dosage will be obtained. Preferred compositions or preparations according to the present invention are prepared such that an oral dosage unit contains from about 1 to about 1000 mg of active compound.

The tablets, troches, pills, capsules and the like can also contain the following: a binder such as gum tragacanth, acacia, corn starch or gelatin; excipients such as dicalcium phosphate; a disintegrating agent such as corn starch, potato starch, alginic acid and the like; a lubricant such as magnesium stearate; and a sweetening agent such as sucrose, lactose or saccharin can be added or a flavoring agent such as peppermint, oil of wintergreen, or cherry flavoring. When the dosage unit form is a capsule, it can contain, in addition to materials of the above type, a liquid carrier. Various other materials can be present as coatings or to otherwise modify the physical form of the dosage unit. For instance, tablets, pills, or capsules can be coated with shellac, sugar or both. A syrup or elixir can contain the active compound, sucrose as a sweetening agent, methyl and propylparabens as preservatives, a dye and flavoring such as cherry or orange flavor. Of course, any material used in preparing any dosage unit form should be pharmaceutically pure and substantially non-toxic in the amounts employed. In addition, the active compound can be incorporated into sustained- release preparations and formulation.

The active compound can also be administered parenterally. Solutions of the active compound as a free base or pharmacologically acceptable salt can be prepared in water suitably mixed with a surfactant such as hydroxypropylcellulose. Dispersions can also be prepared in glycerol, liquid polyethylene glycols, and mixtures thereof and in oils. Under ordinary conditions of storage and use, these preparations contain a preservative to prevent the growth of microorganisms.

The pharmaceutical forms suitable for injectable use include sterile aqueous solutions or dispersions and sterile powders for the extemporaneous preparation of sterile injectable solutions or dispersions. In all cases the form must be sterile and must be fluid to the extent that easy syringability exists. It can be stable under the

conditions of manufacture and storage and must be preserved against the contaminating action of microorganisms such as bacterial and fungi. The carrier can be a solvent of dispersion medium containing, for example, water, ethanol, polyol (e. g., glycerol, propylene glycol, and liquid polyethylene glycol, and the like), suitable mixtures thereof, and vegetable oils. The proper fluidity can be maintained, for example, by the use of a coating such as lecithin, by the maintenance of the required particle size in the case of dispersion and by the use of surfactants. The prevention of the action of microorganisms can be brought about by various antibacterial and antifungal agents, for example, parabens, chlorobutanol, phenol, sorbic acid, thimerosal, and the like. In many cases, it will be preferable to include isotonic agents, e. g. , sugars or sodium chloride. Prolonged absorption of the injectable compositions<BR> of agents delaying absorption, e. g. , aluminum monostearate and gelatin.

Sterile injectable solutions are prepared by incorporating the active compound in the required amount in the appropriate solvent with various other ingredients enumerated above, as required, followed by filtered sterilization. Generally, dispersions are prepared by incorporating the various sterilized active ingredient into a sterile vehicle which contains the basic dispersion medium and the required other ingredients from those enumerated above. In the case of sterile powders for the preparation of sterile injectable solutions, the preferred methods of preparation are vacuum drying and the freeze drying technique which yield a powder of the active ingredient plus any additional desired ingredient from previously sterile-filtered solution thereof.

The therapeutic compounds of the present invention can be administered to a patient alone or in combination with pharmaceutically acceptable carriers, as noted above, the proportion of which is determined by the solubility and chemical nature of the compound, chosen route of administration and standard pharmaceutical practice.

The physician will determine the dosage of the present therapeutic agents which will be most suitable for prophylaxis or treatment and it will vary with the form of administration and the particular compound chosen, and also, it will vary with the particular patient under treatment. The physician will generally wish to initiate treatment with small dosages by small increments until the optimum effect under the circumstances is reached. The therapeutic dosage can generally be from about 0.1 to about 1000 mg/day, and preferably from about 10 to about 100 mg/day, or from about 0.1 to about 50 mg/Kg of body weight per day and preferably from about 0.1 to about

20 mg/Kg of body weight per day and can be administered in several different dosage units. Higher dosages, on the order of about 2X to about 4X, may be required for oral administration.

The following examples are provided for the purpose of illustration and are not intended to limit the scope of the application.

EXAMPLES Example 1 The following example describes the crystallization, resolution of structure, and analysis of the Cabinl/MEF2/DNA complex Methods Sample preparation and crystallization. Human MEF2B (residues 1-93 of SEQ ID NO : 2) and Cabinl (residues 2156-2190 of SEQ ID NO : 14) were cloned in pET-30b as a fusion protein with Cabinl at the C-terminus and a PreScission site in between. The protein was expressed in E. coli BL21 (DE3) pLysS and purified by ammonium sulfate precipitation and Sp sepharose. The purified fusion protein was cleaved with the PreScission Protease (Amersham Bioscience) and further purified by gel filtration. The DNA was prepared by solid phase synthesis and purified by MonoQ under denaturing conditions. The DNA sequence is shown in Fig. 1 (MEF2-binding site in bold). The Cabinl/MEF2B/DNA ternary complex was prepared by mixing 20% molar excess of DNA with the Cabinl/MEF2B complex and further purified by Prep Cell (Bio-Rad model 491) with elution buffer of 5 mM Hepes, 30 mM NaC1 and 0.5 mM EDTA, and 1 mM DTT. The complex peak was then added 20% excess DNA and concentrated down to 0.4 mM for crystallization. Crystals were grown at 17 C by the hanging drop method using a reservoir buffer of 50 mM BTP (pH 6. 35-6. 68), 15% PEG 1000,50 mM NaCI, 10 mM CaCl2, 5 mM MgCl2, 10% Glycerol, 5 mM DTT, 2 mM Spermine. Typically, cubic-shaped crystals grew to 300 um in two weeks. The crystals belong to the space group P4 22, with cell dimensions a=b=70. 14A, and c=151. 88A.

Data collection, structure determination and analysis. Crystals were stabilized in the harvest/cryoprotectant buffer: 50 mM BTP (pH 6.68), 50 mM NaCI, 15% PEG 1K, 15% glycerol and 5 mM DTT. All crystals were flash frozen in liquid nitrogen for storage and data collection under cryogenic conditions (100 K). The data were collected at the Advanced Photon Source (APS, Argonne National Laboratory)

beam line (14-BM-C). Data were reduced using the program DENZO and SCALEPACK (Otwinowski et al., 1993). The structure of the ternary Cabinl/MEF2B/DNA complex was solved by the molecular replacement method using the MEF2A/DNA binary complex as a partial search model (Santelli et al., 2000). The model building and refinement were carried out using programs O and <BR> <BR> CNS (Jones et al., 1991 ; Brunger et al. , 1998). Throughout the refinement, NCS restraints were applied to the MEF2 dimer. At the initial stage of the molecular replacement, the"extra"electron density corresponding to the C-terminal half of the MEF2S domain and Cabinl were clearly defined. The DNA in the crystals has two orientations; each was refined at half occupancy. The first two bases at the 5'end and the last base at the 3'end for both strands are disordered and not included in the refined model. Water molecules were picked using the automatic procedure implemented in the CNS program at the final stages of refinement (Brunger et al., 1998). The final model has good geometry as examined by PROCHECK (The CCP4 Suite, 1994). The Reactor of the refined model is 24.2%/31. 3% (overall/last bin) and the Rfree is 26. 8%/34. 1% (overall/last bin). The model has 3071 non-hydrogen atoms and 229 water molecules. Detailed statistics of crystallographic analysis are presented in Table 1 of Han et al. , 17 Apr. 2003, Nature 422 (6933): 730-734, incorporated herein by reference. Figures of structure illustration were prepared using the program RIBBONS (Carson et al., 1991).

In vitro binding assay of Cabinl mutants. The glutathione S- transferase (GST) -MEF2B fusion was expressed in E. coli DH5a and purified as<BR> previously described (Youn et al. , 1999). [35S]-labeled Cabinl or its mutants was synthesized in vitro using pSG-Cabinl (2144-2220) or the corresponding mutant plasmid (generated by Stratagene site-mutagenesis Kit) in a coupled transcription- translation system (TNT kit, Promega). Roughly equal amounts of wild type and mutant proteins were incubated with a 50% slurry of GST-MEF2B immobilized on glutathione-sepharose beads in 200 to 300 RL HEMG binding buffer (40 mM HEPES [pH 7. 8], 50 mM KCI, 5 mM MgCI2, 0.1% Triton X-100, 10% glycerol, 1.5 mM DTT, protease inhibitors [Boehringer-Mannheim], and 0.5 mg/mL bovine serum albumin). The beads were washed four times with 1 mL (each time) HEMG buffer.

Bound proteins were eluted in 30pL 50 mM Tris-Cl (pH 7.4) containing 15 mM glutathione, resolved by SDS-PAGE and visualized by autoradiography. The control

was carried out with the wild type Cabin 1 (2144-2220) and beads without immobilized GST-MEF2B (data not shown).

Results and Analysis Human MEF2B contains sequential MADS-box (residues 2-58 of SEQ ID NO : 2) and MEF2-specific (MEF2S) domain (residues 59-91 of SEQ ID NO : 2) that are necessary and sufficient to bind a motif in human Cabinl (residues 2156-2190 of SEQ ID NO : 14) (Youn et al., 1999) (see Han et al. , 2003, Nature, supra). The inventors determined the crystal structure of their complex bound to DNA with a MEF2 site by molecular replacement using the previously determined MEF2A/DNA complex as a search model (Woronicz et al. , 1995; Santelli et al. , 2000). The Cabinl fragment and the C-terminal part of the MEF2S domain that were absent in the starting model have well-defined electron density (Han et al. , 2003, Nature, supra).

The overall structure of the Cabinl/MEF2B complex resembles a multi-layered pyramid built on the DNA (Fig. 1). MEF2 forms a symmetric homodimer. Each MEF2 monomer consists of an extended N-terminal tail, three a-helices (H 1, H2, and H3), and three p-strands (Sl, S2, and S3). The N-terminal tail, helix H1 and strands S1 and S2 form the MADS-box core domain that mediates DNA recognition and dimerization in a manner similar to that observed in the MEF2A/DNA complexes (Santelli et al. , 2000; Huang et al. , 2000). The MEF2S domain of each monomer forms a helix-strand-helix motif (H2-S3-H3) on the surface of the MADS-box core.

At the top of the pyramid sits the a-helix of Cabinl that forms a three-helix bundle with the H2 helices (Fig. 1). Because the MADS-box and part (helix H2) of the MEF2S domain observed in the MEF2A/DNA complex can be superimposed very well with the corresponding part of the Cabinl/MEF2B/DNA complex (r. m. s. d 0.54 A for 114 Ca atoms), the binding of Cabinl apparently has little effect on the structure and function of the MADS-box of MEF2B.

A surprising structural feature of the ternary Cabinl/MEF2B/DNA complex is the entirely folded MEF2S domain, which was only partially observed (helix H2) in the MEF2A/DNA complexes with shorter MEF2 fragments (Santelli et al. , 2000; Huang et al., 2000). The observed structure of the MEF2S domain in this ternary complex is most likely due to intrinsic protein folding interactions rather than crystal packing and Cabinl-binding, because the same structure is found in the two MEF2B monomers in different crystal packing environments. Moreover, Cabinl makes no

direct contact to H3 and interacts with S3 of each monomer differently, and yet the structures of S3 of both monomers are identical. The MADS-box in MCM1 and SRF frequently bind their respective transcription partners through strand S2 and helix HI, which contain many exposed hydrophobic residues conserved between MCM1 and <BR> <BR> SRF (Tan et al. , 1998; Hassler et al. , 2001; Pellegrini et al. , 1995). Remarkably, many of these residues, such as Met29, Tyr33, Phe55, and Tyr57 are also found in the MADS-box of MEF2. But in MEF2 the exposed hydrophobic surfaces of the MADS- box interact with the MEF2S domain of the other monomer (Fig. 1).

The detailed interactions between the MADS-box and the MEF2S domain in MEF2B, however, are strikingly similar to those used by the MADS-box of MCM1 and SRF to interact with their respective partners (Tan et al. , 1998; Hassler et al., 2001). In the MEF2B dimer, strand S3 of one monomer forms parallel-strands with S2 of the other monomer through main chain hydrogen bonds and extensive side chain interactions. Immediately following strand S3 is an amphipathic helix (H3) that docks perpendicularly on H1 of the opposing monomer through primarily hydrophobic interactions (Fig. 2c, Han et al. , 2003, supra). Residues mediating the interactions between the MEF2S domain and the MADS-box are highly conserved in the MEF2 family (Han et al. , 2003, supra), suggesting that members of this family can form homo-or possibly heterodimers with a similar structure.

The observed structure of the MEF2S domain has several functional implications. First, the MEF2S domain provides an interlock to further stabilize dimerization by interacting with the MADS-box of the reciprocal subunit. As a result, a much larger surface area (6228 A) is buried in the MEF2 dimer with an intact MEF2S domain (Fig. 1). Second, the MEF2S domain could enhance DNA binding through direct stabilization of the DNA-binding helix HI, which is clamped down by <BR> <BR> helix H3 of the MEF2S domain (Molkentin et al. , 1996) (Fig. 1). Third, the MEF2S domain, which is unique to the MEF2 subfamily of the MADS-box proteins, may provide the major protein surface to interact with other transcription factors that "crosstalk"with MEF2. Indeed, mutations on MEF2C (N73I/E74A/H76L or E77V/S78N/R79Q/T80A) have been shown to disrupt its ability to activate transcription synergistically with MyoD family of transcription factors (Molkentin et al., 1995). These mutations map nicely to protein surfaces associated with strand S3 <BR> <BR> and its linker to S2 (Fig. 2d of Han et al. , 2003, supra). Finally, the fully folded

MEF2S domain provides a stable docking site for the transcriptional co-repressor Cabinl and potentially other transcriptional co-regulators.

Fig. 2A and Fig2B are schematic drawings showing a ligand-binding pocket on MEF2. Fig. 2A shows the ligand binding groove formed by the alpha helix H2 and beta strands Sl, S2 and S3 of each MEF2 monomer. The helix transversing the groove denotes the MEF2-binding motifs of Cabinl. Fig. 2B shows the hydrophobic nature (the lighter patches around the Cabinl helix) of the MEF2 ligand-binding pocket. These figures show that Cabinl is bound to the MEF2S domain in a deep groove with the central 0-sheet as the floor and the two helices (H2) as the rim (Fig.

2A). The groove is lined with predominantly conserved hydrophobic residues that engage in extensive van der Waals interactions with Cabinl to form a binding site that <BR> <BR> is more extended than previously predicted (Santelli et al. , 2000; Huang et al. , 2000) (Fig. 2B). Additional p-strands (S3) of the MEF2S domain expand the central P-sheet <BR> <BR> of the MADS-box to six strands (Figure 2a from Han et al. , 2003, supra ; and Fig.

2A). A shorter MEF2B fragment (residues 2-78) missing the C-terminal half of the MEF2S domain (S3 and H3) has much weaker affinity for Cabinl than the construct <BR> <BR> used here (supplemental Fig. 1 in Han et al. , 2003, supra). Overall, the Cabinl- binding site of MEF2 resembles the peptide-binding pocket of MHC, which also has a <BR> <BR> P-sheet floor and two helix rims (Bjorkman et al. , 1987). However, unlike the extended peptide ligands bound by MHC, the MEF2-binding motif of Cabinl adopts an a-helix to form a triple helix bundle with MEF2.

The Cabinl helix (residues 2166-2178) is amphipathic. Its hydrophobic face, including residues Ile64, Thr68, Leu72, ne76 and Leu77 (individual residues from Cabinl are italicized throughout the text and are referred to by the last two digits of their actual sequence number), binds into the double helix cleft of MEF2 (Fig. 3).

Referring to Fig. 3, residues from Cabinl appear in the middle structure. Residues in <BR> <BR> MEF2 are labeled above and below (see also Fig. 4a from Han et al. , 2003, supra, which appears in color). More particularly, located at the center of the Cabinl/MEF2 interface and approximately on the dyad axis of the MEF2 dimer is Leu72 of Cabinl, whose side chain inserts deeply into a hydrophobic pocket formed by Leu66, Tyr69, and Thr70 of each MEF2B monomer. N terminal to Leu72, ne64 and Thr68 of Cabinl together fill in a hydrophobic pocket formed by Met62, Leu66, and Leu67 of monomer A and Tyr69 of monomer B, whereas the dyad symmetry-related

hydrophobic pocket is occupied by ne76 and Leu77 of Cabinl. Located at the center of the Cabinl/MEF2 interface and approximately on the dyad axis of the MEF2 dimer is Leu72of Cabinl, whose side chain inserts deeply into a hydrophobic pocket formed by Leu66, Tyr69, and Thr70 of each MEF2B monomer. N terminal to Leu72, Ile64 and Thr68 of Cabinl together fill in a hydrophobic pocket formed by Met62, Leu66, and Leu67 of monomer A and Tyr69 of monomer B, whereas the dyad symmetry- related hydrophobic pocket is occupied by Ile76 and Leu77 of Cabinl. Thus, the MEF2-binding surface of Cabinl has a pseudo dyad symmetry that approximately matches the dyad symmetry of the MEF2 dimer, explaining the 1: 2 binding ratio of Cabinl to MEF2 observed in solution (Figure 2 of Supplementary Information in Han <BR> <BR> et al. , 2003, supra). The location of the hydrophobic pocket at the N terminus of helix H2 may account for the diagonal orientation of the Cabinl helix (Figs. 2A and 3). The long aliphatic side chains of polar residues surrounding Leu72, including Lys69, Lys71, and Lys73, also make extensive van der Waals contacts to MEF2, further <BR> <BR> extending the binding interface (Figures lb and 4b of Han et al. , 2003, supra). The peptide segments of Cabinl flanking its amphipathic helix bind MEF2 on both sides of the MADS-box/MEF2S domain by inserting into a surface groove formed by strands S2 and S3 and the linkers between S2, H2, and S3 (Figure 3 of Supplementary <BR> <BR> Information in Han et al. , 2003, supra). Overall, the Cabinl/MEF2B interface, burying 1736 å2 solvent accessible area, is largely hydrophobic and the intimate surface complementarities are likely the major determinants of the binding specificity between Cabinl and MEF2 (Figure 4b in Han et al. , 2003, supra).

The present inventors'crystal structure is corroborated by mutagenesis.

Mutations of key residues at the Cabinl/MEF2B interface, such as Leu72Ala, Leu72Trp, Leu72Lys or Ile76Ala, either completely abolished or significantly reduced the binding affinity of Cabinl to MEF2B, whereas mutation of a Cabinl residue outside the Cabinl/MEF2 interface, Gln70Ala or Gln70Trp, had little effect (Figure <BR> <BR> 4c of Han et al. , 2003, supra). Similar results were obtained when the interactions between the same set of Cabinl mutants and MEF2B were determined by coimmunoprecipitation in whole cell lysates of Jurkat T cells (Figure 5 of Supplementary Information in Han et al., 2003, supra). It is remarkable that the removal of a three-carbon isopropyl group from the entire interface between Cabinl and MEF2 in the Leu72Ala mutant is sufficient to disrupt the Cabinl-MEF2

interaction, consistent with the key structural role of Leu72 in Cabinl/MEF2 interface (Fig. 3).

The residues important for Cabinl to bind MEF2B are conserved in a region of class II HDACs that are necessary and sufficient to bind MEF2 (Sparrow et al., 1999; Miska et al. , 1999; Lemercier et al. , 2000; Lu et al. , 2000). The Cabinl-binding residues of MEF2B are also conserved in other members of the MEF2 family (e. g., see Fig. 1A of Han et al. , 2003, supra). A MEF2C triple mutant of V65A, L66S, and<BR> L67R failed to bind HDAC4 (Lu et al. , 2003, supra). In our crystal structure, Leu66 and Leu67 make extensive van der Waals contacts to Ile64, Thr68, Be76 and Leu77 of Cabinl (Fig. 3), which are also conserved in class II HDACs (Fig. 4). Moreover, in vitro binding data suggests that Cabinl and HDAC4 bind MEF2 in a mutually exclusive manner (data not shown). Taken together, the structural and biochemical data suggest that the triple helix bundle observed in the Cabinl/MEF2B/DNA complex is a conserved structure adaptor for MEF2 to recruit transcriptional repressor Cabinl or class II histone deacetylases to specific promoters.

Surprisingly, the V65A/L66S/L67R triple mutation on helix H2 has been found to diminish, rather than enhance, the transactivation function of MEF2 (Molkentin et al. , 1996). A plausible explanation is that the same helix in MEF2 is also involved in the recruitment of transcriptional co-activators. Indeed, the MADS- box/MEF2S domain has been shown to bind p300 competitively with Cabinl and class II HDACs (Youn et al. , 2000, J. Biol. Chem. ; Youn et al. , 2000, Immunity).

Sequence search using the consensus MEF2-binding motif reveals a potential MEF2- binding site in a p300 fragment that binds MEF2 (Sartorelli et al. , 1997) (Figure la<BR> from Han et al. , 2003, supra).

In summary, the present inventors'structural and biochemical studies define a new signaling domain conserved in the MEF2 family of transcription factors, whose peptide ligands may be present in a variety of signaling and transcription molecules capable of modulating MEF2-dependent transcription. There are great interests in the MEF2/class II HDAC pathway as a potential therapeutic target for heart hypertrophy (Zhang et al. , 2002). Because DNA-binding and co-regulator recruitment in MEF2 are mediated by protein surfaces located on opposite sides of the MADS-box/MEF2S domain, it is possible to inhibit the recruitment of transcriptional co-regulators by MEF2 without affecting the DNA binding of all MADS-box proteins (Molkentin et

al., 1996). This feature may be important for developing small molecule ligands to modulate MEF2-dependent gene expression in clinical applications.

Example 2 The following example describes the crystallization, resolution of structure, and analysis of the MITR/MEF2/DNA complex.

Methods Sample preparation and crystallization. Human MEF2B (residues 1-93 of SEQ ID NO : 2) and MITR (residues 128-154 of SEQ ID NO : 4) were cloned in pET- 30b as a fusion protein with MITR at the C-terminus. The protein was expressed in Escherichia coli BL21 (DE3) pLysS and purified by ammonium sulphate precipitation and Sp-Sepharose chromatography. The purified fusion protein was further purified by gel filtration. The DNA was prepared by solid-phase synthesis and purified by MonoQ under denaturing conditions. The double stranded DNA sequence, aligned, is: AAAGCTATTTATAAGCA (SEQ ID N0 : 15) TTCGATAAATATTCGTT (SEQ ID NO : 16) The MEF2B/MITR/DNA ternary complex was prepared by mixing a 20% molar excess of DNA with the MITR/MEF2B complex and was further purified by Prep Cell (Bio-Rad Model 491) with an elution buffer of 5 mM Hepes, 30 mM NaCI, 0.5 mM EDTA, 1 mM dithiothreitol (DTT). To the complex peak was then added 20% excess DNA and it was concentrated to 0.4 mM for crystallization. Crystals were grown at 17°C by the hanging-drop method with a reservoir buffer of 50 mM Bis-Tris propane (BTP), pH 6.35-6. 68,25% PEG 1000,50 mM NaCI, 10 mM CaC12, 5 mM MgC12, 5% glycerol, 5 mM DTT and 2 mM spermine. Typically, diamond crystals grew to 100-300 *um in 2 weeks. The crystals belong to space group PI, with cell dimensions: a =44.765 A, b = 66.859 A, c = 66.924 A. alpha=76.656, beta=71.846, gamma=71.799.

Data collection, structure determination and analysis. Crystals were directly harvested from the drop without additional stabilization. All crystals were flash- frozen in liquid nitrogen for storage and data collection under cryogenic conditions (100 K). The data were collected at an X-ray source. Data were reduced with the programs DENZO and SCALEPACK (Otwinowski et al., 1993). The structure of the ternary MEF2B/MITR/DNA complex was solved by the molecular replacement method by using the MEF2A/DNA binary complex as a partial search model (Santelli

et al. , 2000). Model building and refinement were performed with programs O and<BR> CNS (Jones et al., 1991; Brunger et al. , 1998). Throughout the refinement, non- crystallographic symmetry (NCS) restraints were applied to the MEF2 dimer. At the initial stage of the molecular replacement, the'extra'electron density corresponding to the C-terminal MEF2 domain and MITR were clearly defined. The DNA in the crystals has two orientations; each was refined at half occupancy. The first two bases at the 5'end and the last base at the 3'end for both strands are disordered and are not included in the refined model. Water molecules were picked by using the automatic procedure implemented in CNS at the final stages of refinement (Brunger et al., 1998). The final model has good geometry, as examined by PROCHECK (The CCP4 Suite, 1994).

Electrophoresis mobility shift assay MEF2B and HDAC4 (155-220) were expressed in E. coli BL21 (DE3) pLysS and purified by affinity chromatography. All mutants are generated by Quickchange mutation kit (Strategene). The electrophoresis mobility shift assay (EMSA) was performed in a buffer of 20 mM Hepes (pH 7.7), 300 mM NaCI, 1 mM DTT, and 10% glycerol. The binding reactions were analyzed on a 4-20% gradient native PAGE in TBE and stained with ethidium bromide. Roughly equal amounts of purified HDAC4 and mutants were used in each EMSA binding reactions. All mutants apparently fold well judging from their similar gel filtration profile to the wild type protein.

Structure determination The inventors expressed human MEF2B (residues 1-93 of SEQ ID NO : 2) and mouse MITR (residues 130-158 of SEQ ID NO : 4) as fusion protein. Two different linkers were designed in the complex. Because the Cabinl/MEF2/DNA complex previously provided a high quality crystal, the inventors initially used the chimeric fusion protein by replacing the Cabinl helical with the equivalent region of MITR.

The crystal diffracted to 2A at one direction. To validate what was observed in this type of a complex, the inventors fused the MITR right to MEF2. After micro-seeding, this type of crystal can only diffract to 3A at one direction. These structures were solved by molecular replacement with MEF2A/DNA as a model. The inventors therefore report here the structural information from these two complexes. Since overall structures are very similar, the better model is used for the main discussion and the other is used for cross-validation.

Overall structure There are two tetramers in one symmetric unit. These two are nearly identical.

Moreover, the MEF2 domains in two complexes have very similar conformation. The overall structure of the MEF2B/MITR/DNA complex is mainly an assembled MEF2B homodimer sitting on DNA (Fig. 8), similar to MEF2B/Cabinl/DNA. Each of MEF2B monomer consists of an extended N terminal tail, three alpha helices (Hl, H2, and H3), and three beta strands (S1, S2, and S3). The tail and helix H1 provide the interface for DNA binding. Helix HI is also part of dimer interface together with beta strands of Sl and S2. One of outstanding features of this complex is extended beta strands as compared to the original model of MEF2A/DNA. Underneath the beta sheet is a coiled coil formed by helix H I that is oriented in parallel to the beta strands.

Lying above is MEF2B helix H2 which forms a ligand binding groove in the MEF2B/Cabinl/DNA complex. Sitting at the top of the pyramid is the amphipathic helix of MITR.

MEF2A and DNA interaction has been previously very well documented <BR> <BR> (Santelli et al. , 2000; Huang et al., 2000). The MEF2A/DNA complex can be superimposed well with the corresponding part of the MEF2B/MITR/DNA complex (r. m. s. d 0. 004A). In the present inventors'ternary complex, MEF2B binds DNA primarily through the N-terminal tail inserted deeply into the minor groove and helix H1 that straddles the phosphate backbone. Residues, including Gly2, Arg3, Argl5, Lys23, Arg24, Lys30, Lys31 and Glu34, make extensive contacts with DNA in the major and minor grooves and phosphate backbone to specify the MEF2 binding sequence. The MADS-box also forms a major part of the dimer interface that further enhances MEF2/DNA binding affinity. The detailed interactions of DNA binding and dimerization by the MADS-box of MEF2B are nearly identical to that in MEF2A and <BR> <BR> also similar to that of SRF (Tan et al. , 1998). Together with structure of Cabinl/MEF2/DNA, the inventors'observations suggest that the binding of ligands has little effect on the structure of the MADS-box.

MITR ligand The present inventors'structure of co-repressor MITR revealed detailed interactions between MEF2 and MITR. The C-terminal tail (155-158) is un-structured and not seen. The N-terminal tail in both complexes shows beta-sheet like coil.

The key structure mediating MEF2/MITR interactions is the triple helix bundle formed between the amphipathic helix of MITR and two top MEF2 helices

(Fig. I I A and 11 B). The hydrophobic face of the MITR helix, including Val143, Leul47, Phel50 and Leul51 fit into this groove of MEF2. Located at the center of the MEF2/MITR interface and approximately on the dyad axis of the MEF2 dimer is Leul47, whose side chain inserts deeply into a hydrophobic pocket formed by Leu66, Tyr69, and Thr70 of each monomer. The long aliphatic side chain of polar residues surrounding Leul47, including Lysl44, Lysl46, and Glnl48 also make extensive van der Waals contacts to MEF2. Thus, similar to that in Cabinl/MEF2, the interface is mostly hydrophobic and the intimate surface complementarity contributes significantly to the binding specificity between MITR and MEF2.

Most strikingly, the inventors observed that the Phe 150 of MITR perfectly fits the hydrophobic groove of MEF2 (Fig. 9). Phel50 is also conserved in HDAC4/5/9.

This is not seen in Cabinl, although overall interactions of Cabinl are similar. The phenylalanine bears much more hydrophobicity than others, and it could thus enhance the binding of MITR. To test it, we mutated this Phel50 to Ala (Fig. 7A and Fig. 7B).

The binding affinity of this mutant dropped by 10 fold, suggesting Phe 150 of MITR is also a very important residue in addition to Leul47 and Leu151.

To avoid the artificial observations of the MITR and MEF2 interaction, the inventors solved the crystal structure with corresponding sequence of MITR as a linker. The feature of MITR does not appear to cause any difference in their simulated omit maps, suggesting that the incorporated linkers do not affect the triple helix binding mode of MITR at all.

Plasticity of MEF2 By comparing the MEF2 bound with MITR and Cabinl, the inventors found significant changes in the local MEF2 monomer conformation between the two structures. On the one side where the N-terminus of MITR is a beta-sheet, the MEF2 loop I expanded its hydrophobic groove. The Ser73 and Pro74 move away by 4.3A.

The rearrangement makes a beta sheet-like interaction between this loop and the N- terminal tail of MITR. The main chain of the N-terminal tail of MITR not only covers the hydrophobic groove of MEF2 but also generates the three hydrogen bonds between the His76 and Thrl38, Glu77 and Serl37. Consistently, the same type of interaction is also recapitulated in MITR/MEF2/DNA complex with MITR linker sequence. Moreover, Va1138 fits nicely into the MEF2 hydrophobic groove while the corresponding glycine residue in Cabinl linker simply leaves the groove open.

Although this tail does not show up in one of symmetric mates, the inventors believe

it is likely valid for the following reasons: 1) The MEF2 has a similar conformation even in the scenario in which the MITR tail density is missing; the tail of MITR may indeed push the loop I out; 2) This HDAC tail is apparently exposed in different crystal packing environments as compared to others. Its occupancy could thus be lower than in another environment ; 3) The data the inventors have at 3.3 do not define the position with relatively low occupancy. However, further resolution will measure how much this tail contributes MITR binding.

In contrast, the un-structured side of the C-terminus showed the shrunken hydrophobic groove of MEF2 (Figs. 12A and 12B). Ser73 of MEF2 moves inward by about 3.3A, which generates a more packed hydrophobic network of Phe 150 of MITR, Tyr69 and Ser73 of MEF2. As discussed above, the Phel50 of MITR may not only make itself fit the MEF2 groove but also causes a favorable conformation change of MEF2 loop II, which further enhances MITR binding.

Discussion The observed MITR/MEF2 interactions indicate that MITR and Class II HDACs bind to the same site on MEF2 using a conserved motif. Sequence alignment of the MEF2-binding motif in MITR and various members of the Class II HDACs showed the highest sequence similarity in the middle of the amphipathic helix, with an absolutely conserved Leul47 in the middle, and V143/F150/L151 on both sides (Fig. 4). All of these residues have homologous counterparts in class II HDACs and Cabinl. Notably, A 13 9 of MITR points to hydrophobic groove where I106 of Cabinl is located. Because of a lack of a side chain, the interaction of MITR tail and MEF2 is mainly mediated by the main chain, which provides a partial interpretation as to why the MITR tail has a different trajectory from that of Cabinl. Within the Class II HDACs, this tail consists of mainly small amino acids, suggesting that all class II HDACs will have a similar interaction with MEF2.

In contrast, the C-terminal flanking sequence of MITR does not appear to be involved in binding. This part of class II HDACs are less conserved than the MEF2- binding helix. Compared to Cabinl, where the Cabinl terminal tails cover both sides of the MEF2 hydrophobic groove, MITR just leaves this groove open. This may also be the consequence of the Phel50 of MITR in place of Ala2175 of Cabinl. Cabinl uses its tail to fit into this MEF2 groove to compensate for the lack of a Phe at this position.

Taken together, the structure and biochemical data suggest that the observed MITR/MEF2/DNA complex represents a general mechanism for sequence-specific recruitment of both Cabinl and class II histone deacetylases. The functions of DNA binding and co-regulator recruitment in MEF2 are well-separated in the three- dimensional structure of the ternary MITR/MEF2/DNA complex where DNA and the co-regulator are bound simultaneously on opposite protein surfaces. Thus, it is possible to inhibit the recruitment of transcription co-regulators by MEF2 without affecting the DNA binding of all MADS-box proteins.

An appropriate inhibition of HDAC activity has been of extensive interest pharmaceutically, in particular in cancer therapy and treatment for heart hypertrophy and heart failure. Even though potent candidates of small molecules to inhibit catalytic activity HDACs have shown positive effect on stimulating normal cell growth and cancer cell death, it is not yet known whether these inhibitors could benefit patients with heart hypertrophy and heart failure. Moreover, their broad association to all HDACs has caused a complicated outcome in patients treated with such compounds. On the contrary, the peptide inhibitors of MITR proposed by the present inventors can be designed or identified to just eliminate the HDAC binding to MEF2 and therefore, they are useful to establish a validated model system for high throughput screening, in addition to having a potential of becoming clinically useful drugs.

Each publication cited herein is incorporated herein by reference in its entirety.

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While various embodiments of the present invention have been described in detail, it is apparent that modifications and adaptations of those embodiments will occur to those skilled in the art. It is to be expressly understood, however, that such modifications and adaptations are within the scope of the present invention, as set forth in the following claims.

TABLE 1 REMARK coordinates from minimization refinement REMARK refinement resolution : 30-2. 7 A REMARK starting r= 0. 2642 free r= 0. 2929 REMARK final r= 0. 2626 free r= 0. 2933 REMARK rmsd bonds= 0. 009026 rmsd angles= 1. 27565 REMARK wa= 6. 07616 REMARK target= mlf cycles= 1 steps= 5 REMARK sg= P1 a= 44. 797 b= 66. 93 c= 66. 967 alpha= 76. 668 beta= 71. 832 gamma= 71. 812 REMARK parameter file 1 CNS_TOPPAR : protein rep. param REMARK parameter file 2 : CNS TOPPAR : dna-rna rep. param REMARK parameter file 3 : CNSTOPPAR : water rep. param REMARK molecular structure file : gen mcm. mtf REMARK input coordinates : bi-mcm. pdb REMARK reflection file= mitr818pl. cv REMARK ncs= none REMARK B-correction resolution : 6. 0-2. 7 REMARK initial B-factor correction applied to fobs : REMARK B11= 37. 506 B22=-18. 382 B33=-19. 124 REMARK B12= 14. 955 B13= 14. 495 B23=-9. 840 REMARK B-factor correction applied to coordinate array B : 1. 112 REMARK bulk solvent : density level= 0. 261594 e/A^3, B-factor= 33. 332 A"2 REMARK reflections with Fobs/sigmaF < 2 rejected REMARK reflections with |Fobs| > 100 * rms (Fobs) rejected REMARK theoretical total number of refl. in resol. range : 19058 (100. 0 %) REMARK number of unobserved reflections (no entry or |F|=0) : 1653 (8. 7 %) REMARK number of reflections rejected : 1915 (10. 0 %) REMARK total number of reflections used : 15490 (81. 3 %) REMARK number of reflections in working set : 13978 (73. 3 %) REMARK number of reflections in test set : 1512 (7. 9 %) CRYST1 44. 797 66. 930 66. 967 76. 67 71. 83 71. 81 P 1 REMARK FILENAME="mi-mcm. pdb" REMARK DATE : 14-Mar-04 00 : 59 : 35 created by user : hana REMARK VERSION : 1. 1 ATOM 1 C GLY P 2-5. 615-31. 745-13. 332 1. 00110. 22 P ATOM 2 O GLY P 2-6. 093-31. 568-12. 208 1. 00110. 85 P ATOM 3 N GLY P 2-5. 765-29. 300-13. 640 1. 00108. 63 P ATOM 4 CA GLY P 2-5. 147-30. 553-14. 140 1. 00109. 61 P ATOM 5 N ARG P 3-5. 482-32. 945-13. 902 1. 00110. 24 P ATOM 6 CA ARG P 3-5. 887-34. 193-13. 245 1. 00110. 23 P ATOM 7 CB ARG P 3-5. 632-35. 387-14. 162 1. 00112. 51 P ATOM 8 CG ARG P 3-6. 536-35. 472-15. 363 1. 00116. 29 P ATOM 9 CD ARG P 3-6. 322-36. 798-16. 076 1. 00119. 11 P ATOM 10 NE ARG P 3-7. 250-36. 973-17. 188 1. 00121. 86 P ATOM 11 CZ ARG P 3-7. 346-38. 086-17. 904 1. 00122. 42 P ATOM 12 NH1 ARG P 3-6. 566-39. 122-17. 616 1. 00122. 63 P ATOM 13 NH2 ARG P 3-8. 222-38. 166-18. 900 1. 00122. 99 P ATOM 14 C ARG P 3-5. 182-34. 461-11. 917 1. 00107. 81 P ATOM 15 O ARG P 3-5. 540-35. 393-11. 199 1. 00107. 60 P ATOM 16 N LYS P 4-4. 179-33. 653-11. 599 1. 00105. 45 P ATOM 17 CA LYS P 4-3. 434-33. 821-10. 362 1. 00103. 48 P ATOM 18 CB LYS P 4-2. 236-34. 735-10. 632 1. 00104. 29 P ATOM 19 CG LYS P 4-1. 523-35. 269-9. 388 1. 00105. 84 P ATOM 20 CD LYS P 4-2. 045-36. 651-8. 991 1. 00106. 77 P ATOM 21 CE LYS P 4-1. 202-37. 256-7. 862 1. 00106. 69 P ATOM 22 NZ LYS P 4-1. 673-38. 611-7. 446 1 00106. 25 P ATOM 23 C LYS P 4-2. 965-32. 449-9. 865 1. 00100. 89 P ATOM 24 O LYS P 4-2. 703-31. 558-10. 673 1. 00101. 23 P ATOM 25 N LYS P 5-2. 878-32. 269-8. 550 1. 00 97. 84 P ATOM 26 CA LYS P 5-2. 421-30. 996-8. 006 1. 00 95. 91 P ATOM 27 CB LYS P 5-2. 813-30. 863-6. 537 1. 00 94. 95 P ATOM 28 CG LYS P 5-2. 327-29. 579-5. 867 1. 00 92. 95 P ATOM 29 CD LYS P 5-2. 895-29. 440-4. 462 1. 00 93. 15 P ATOM 30 CE LYS P 5-2. 559-28. 097-3. 838 1. 00 93. 02 P ATOM 31 NZ LYS P 5-1. 106-27. 875-3. 702 1. 00 92. 96 P ATOM 32 C LYS P 5-0. 908-30. 926-8. 132 1. 00 94. 84 P ATOM 33 O LYS P 5-0. 233-31. 941-8. 012 1. 00 94. 41 P ATOM 34 N ILE P 6-0. 377-29. 733-8. 392 1. 00 94. 23 P ATOM 35 CA ILE P 6 1. 070-29. 556-8. 536 1. 00 93. 44 P ATOM 36 CB ILE P 6 1. 500-29. 355-10. 016 1. 00 93. 04 P ATOM 37 CG2 ILE P 6 1. 091-30. 565-10. 846 1. 00 94. 21 P ATOM 38 CG1 ILE P 6 0. 873-28. 079-10. 587 1. 00 91. 78 P ATOM 39 CD1 ILE P 6 1. 474-27. 637-11. 899 1. 00 89. 12 P ATOM 40 C ILE P 6 1. 604-28. 369-7. 750 1. 00 93. 61 P ATOM 41 O ILE P 6 1. 058-27. 269-7. 808 1. 00 93. 31 P ATOM 42 N GLN P 7 2. 686-28. 601-7. 020 1. 00 93. 39 P ATOM 43 CA GLN P 7 3. 302-27. 546-6. 233 1. 00 94. 51 P ATOM 44 CB GLN P 7 4. 261-28. 147-5. 196 1. 00 93. 76 P ATOM 45 CG GLN P 7 3. 611-29. 152-4. 273 1. 00 92. 73 P ATOM 46 CD GLN P 7 2. 404-28. 577-3. 557 1. 00 92. 15 P ATOM 47 OE1 GLN P 7 2. 528-27. 670-2. 724 1. 00 90. 86 P ATOM 48 NE2 GLN P 7 1. 221-29. 097-3. 886 1. 00 90. 47 P ATOM 49 C GLN P 7 4. 078-26. 619-7. 164 1. 00 95. 75 P ATOM 50 O GLN P 7 4. 899-27. 078-7. 958 1. 00 97. 81 P ATOM 51 N ILE P 8 3. 822-25. 319-7. 079 1 00 95. 8L P ATOM 52 CA ILE P 8 4. 542-24. 377-7. 915 1. 00 95. 20 P ATOM 53 CB ILE P 8 3. 917-22. 969-7. 860 1. 00 94. 22 P ATOM 54 CG2 ILE P 8 4. 847-21. 966-8. 500 1. 00 93. 31 P ATOM 55 CG1 ILE P 8 2. 579-22. 955-8. 604 1. 00 94. 31 P ATOM 56 CD1 ILE P 8 1. 526-23. 873-8. 036 1. 00 93. 30 P ATOM 57 C ILE P 8 5. 992-24. 303-7. 470 1. 00 95. 77 P ATOM 58 0 ILE P 8 6. 314-23. 726-6. 443 1. 00 96. 76 P ATOM 59 N SER P 9 6. 853-24. 923-8. 259 1. 00 97. 42 P ATOM 60 CA SER P 9 8. 292-24. 944-8. 024 1. 00 99. 34 P ATOM 61 CB SER P 9 8. 631-25. 813-6. 816 1. 00100. 47 P ATOM 62 OG SER P 9 8. 152-27. 138-6. 993 1. 00103. 27 P ATOM 63 C SER P 9 8. 926-25. 520-9. 291 1. 00 99. 10 P ATOM 64 0 SER P 9 8. 424-26. 492-9. 860 1. 00 98. 49 P ATOM 65 N ARG P 10 10. 022-24. 908-9. 724 1. 00 99. 61 P ATOM 66 CA ARG P 10 10. 725-25. 307-10. 937 1. 00101. 43 P ATOM 67 CB ARG P 10 12. 228-25. 045-10. 784 1. 00102. 05 P ATOM 68 CG ARG P 10 12. 999-25. 073-12. 101 1. 00104. 22 P ATOM 69 CD ARG P 10 14. 503-25. 098-11. 873 1. 00105. 58 P ATOM 70 NE ARG P 10 15. 264-24. 746-13. 072 1. 00107. 95 P ATOM 71 CZ ARG P 10 15. 221-25. 410-14. 228 1. 00109. 83 P ATOM 72 NH1 ARG P 10 14. 446-26. 483-14. 367 1. 00110. 05 P ATOM 73 NH2 ARG P 10 15. 959-24. 996-15. 253 1. 00110. 76 P ATOM 74 C ARG P 10 10. 508-26. 760-11. 355 1. 00101. 92 P ATOM 75 O ARG P 10 11. 095-27. 670-10. 769 1. 00102. 43 P ATOM 76 N ILE P 11 9. 658-26. 971-12. 361 1. 00102. 06 P ATOM 77 CA ILE P 11 9. 395-28. 315-12. 880 1. 00101. 86 P ATOM 78 CB ILE P 11 8. 482-28. 269-14. 127 1. 00101. 08 P ATOM 79 CG2 ILE P 11 8. 342-29. 655-14. 734 1. 00 99. 68 P ATOM 80 CG1 ILE P 11 7. 115-27. 696-13. 739 1. 00100. 39 P ATOM 81 CD1 ILE P 11 6. 188-27. 433-14. 912 1. 00 99. 84 P ATOM 82 C ILE P 11 10. 753-28. 881-13. 277 1. 00103. 64 P ATOM 83 O ILE P 11 11. 514-28. 235-14. 004 1. 00104. 41 P ATOM 84 N LEU P 12 11. 063-30. 077-12. 792 1. 00104. 52 P ATOM 85 CA LEU P 12 12. 353-30. 678-13. 080 1. 00105. 09 P ATOM 86 CB LEU P 12 12. 669-31. 733-12. 028 1. 00103. 94 P ATOM 87 CG LEU P 12 12. 983-31. 115-10. 668 1. 00103. 22 P ATOM 88 CD1 LEU P 12 13. 378-32. 207-9. 688 1. 00103. 31 P ATOM 89 CD2 LEU P 12 14. 096-30. 090-10. 827 1. 00102. 36 P ATOM 90 C LEU P 12 12. 507-31. 259-14. 472 1. 00106. 52 P ATOM 91 0 LEU P 12 13. 348-30. 798-15. 250 1. 00105. 65 P ATOM 92 N ASP P 13 11. 703-32. 269-14. 786 1. 00108. 57 P ATOM 93 CA ASP P 13 11. 760-32. 903-16. 097 1. 00111. 52 P ATOM 94 CB ASP P 13 10-607-33. 896-16. 260 1. 00112. 95 P ATOM 95 CG ASP P 13 10. 407-34. 325-17. 708 1. 00114. 19 P ATOM 96 OD1 ASP P 13 11. 390-34. 775-18. 340 1. 00115. 30 P ATOM 97 OD2 ASP P 13 9-268-34. 210-18. 215 1. 00115. 54 P ATOM 98 C ASP P 13 11. 703-31. 865-17. 217 1. 00112. 41 P ATOM 99 O ASP P 13 10. 659-31. 281-17. 487 1. 00112. 28 P ATOM 100 N GLN P 14 12. 837-31. 647-17. 872 1. 00114. 85 P ATOM 101 CA GLN P 14 12. 924-30. 674-18. 947 1. 00117. 44 P ATOM 102 CB GLN P 14 14. 305-30. 737-19. 606 1. 00117. 81 P ATOM 103 CG GLN P 14 14. 560-29. 614-20. 614 1. 00118. 55 P ATOM 104 CD GLN P 14 15. 055-30. 129-21. 957 1. 00118. 99 P ATOM 105 OE1 GLN P 14 14. 366-30. 892-22. 635 1. 00118. 32 P ATOM 106 NE2 GLN P 14 16. 254-29. 712-22. 348 1. 00118. 11 P ATOM 107 C GLN P 14 11. 845-30. 870-20. 002 1. 00118. 91 P ATOM 108 O GLN P 14 11. 501-29. 930-20. 711 1. 00118. 48 P ATOM 109 N ARG P 15 11. 324-32. 088-20. 113 1. 00121. 64 P ATOM 110 CA ARG P 15 10. 278-32. 382-21. 092 1. 00124. 55 P ATOM 111 CB ARG P 15 9. 995-33. 886-21. 162 1. 00126. 60 P ATOM 112 CG ARG P 15 11. 157-34. 757-21. 604 1. 00130. 30 P ATOM 113 CD ARG P 15 10. 730-36. 223-21. 644 1. 00133. 05 P ATOM 114 NE ARG P 15 11. 826-37. 128-21. 999 1. 00135. 88 P ATOM 115 CZ ARG P 15 12. 449-37. 145-23. 175 1. 00136. 56 P ATOM 116 NH1 ARG P 15 12. 091-36. 298-24. 135 1. 00137. 38 P ATOM 117 NH2 ARG P 15 13. 432-38. 016-23. 394 1. 00136. 77 P ATOM 118 C ARG P 15 9. 006-31. 677-20. 663 1. 00124. 62 P ATOM 119 O ARG P 15 8. 463-30. 846-21. 381 1. 00124. 88 P ATOM 120 N ASN P 16 8. 545-32. 033-19. 470 1. 00125. 86 P ATOM 121 CA ASN P 16 7. 334-31. 483-18. 878 1. 00126. 46 P ATOM 122 CB ASN P 16 7. 021-32. 256-17. 586 1. 00127. 12 P ATOM 123 CG ASN P 16 5. 783-31. 753-16. 878 1. 00128. 22 P ATOM 124 OD1 ASN P 16 5. 828-30. 750-16. 158 1. 00128. 86 P ATOM 125 ND2 ASN P 16 4. 661-32. 449-17. 078 1. 00128. 69 P ATOM 126 C ASN P 16 7. 462-29. 981-18. 606 1. 00125. 61 P ATOM 127 O ASN P 16 6. 495-29. 238-18. 758 1. 00126. 37 P ATOM 128 N ARG P 17 8. 652-29. 530-18. 222 1. 00124. 52 P ATOM 129 CA ARG P 17 8. 860-28. 112-17. 946 1. 00123. 04 P ATOM 130 CB ARG P 17 10. 246-27. 882-17. 340 1. 00124. 95 P ATOM 131 CG ARG P 17 10. 420-26. 503-16. 709 1. 00127. 22 P ATOM 132 CD ARG P 17 11. 824-26. 300-16. 145 1. 00129. 71 P ATOM 133 NE ARG P 17 12. 840-26. 237-17. 196 1. 00132. 77 P ATOM 134 CZ ARG P 17 13. 752-27. 181-17. 427 1. 00134. 33 P ATOM 135 NH1 ARG P 17 13. 786-28. 280-16. 672 1. 00135. 01 P ATOM 136 NH2 ARG P 17 14. 630-27. 023-18. 419 1. 00134. 54 P ATOM 137 C ARG P 17 8. 710-27. 288-19. 219 1. 00120. 03 P ATOM 138 0 ARG P 17 8. 458-26. 094-19. 164 1. 00119. 08 P ATOM 139 N GLN P 18 8. 864-27. 938-20. 366 1. 00118. 10 P ATOM 140 CA GLN P 18 8. 737-27. 272-21. 662 1. 00116. 09 P ATOM 141 CB GLN P 18 9. 706-27. 897-22. 678 1. 00116. 95 P ATOM 142 CG GLN P 18 9. 545-27. 412-24. 130 1. 00116. 86 P ATOM 143 CD GLN P 18 9. 801-25. 917-24. 311 1. 00116. 39 P ATOM 144 OE1 GLN P 18 10. 863-25. 404-23. 949 1. 00115. 43 P ATOM 145 NE2 GLN P 18 8. 827-25. 217-24. 888 1. 00114. 85 P ATOM 146 C GLN P 18 7. 303-27. 354-22. 186 1. 00113. 08 P ATOM 147 O GLN P 18 6. 821-26. 429-22. 837 1. 00112. 66 P ATOM 148 N VAL P 19 6. 629-28. 464-21. 903 1. 00110. 54 P ATOM 149 CA VAL P 19 5. 239-28. 650-22. 330 1. 00108. 72 P ATOM 150 CB VAL P 19 4. 706-30. 054-21. 930 1. 00108. 31 P ATOM 151 CG1 VAL P 19 3. 320-30. 280-22. 509 1. 00106. 72 P ATOM 152 CG2 VAL P 19 5. 662-31. 123-22. 392 1. 00109. 79 P ATOM 153 C VAL P 19 4. 385-27. 603-21. 598 1. 00107. 18 P ATOM 154 O VAL P 19 3. 584-26. 876-22. 203 1. 00107. 09 P ATOM 155 N THR P 20 4. 579-27. 546-20. 281 1. 00104. 08 P ATOM 156 CA THR P 20 3. 866-26. 634-19. 395 1. 00100. 34 P ATOM 157 CB THR P 20 4. 279-26. 901-17. 937 1. 00100. 33 P ATOM 158 OG1 THR P 20 3. 807-28. 194-17. 557 1. 00 99. 23 P ATOM 159 CG2 THR P 20 3. 717-25. 862-17. 004 1. 00 99. 53 P ATOM 160 C THR P 20 4. 090-25. 160-19. 729 1. 00 98. 67 P ATOM 161 O THR P 20 3. 135-24. 374-19. 787 1. 00 97. 31 P ATOM 162 N PHE P 21 5-347-24. 783-19. 944 1. 00 96. 45 P ATOM 163 CA PHE P 21 5. 654-23. 398-20. 264 1. 00 94. 26 P ATOM 164 CB PHE P 21 7. 090-23. 242-20. 764 1. 00 90. 58 P ATOM 165 CG PHE P 21 7. 443-21. 836-21. 159 1. 00 87. 08 P ATOM 166 CD1 PHE P 21 7. 776-20. 883-20. 200 1. 00 84. 71 P ATOM 167 CD2 PHE P 21 7. 435-21. 464-22. 496 1. 00 85. 29 P ATOM 168 CE1 PHE P 21 8. 094-19. 582-20. 568 1. 00 82. 62 P ATOM 169 CE2 PHE P 21 7. 753-20. 163-22. 874 1. 00 84. 06 P ATOM 170 CZ PHE P 21 8. 081-19. 221-21. 909 1. 00 82. 71 P ATOM 171 C PHE P 21 4. 713-22. 957-21. 357 1. 00 94. 71 P ATOM 172 O PHE P 21 3. 909-22. 047-21. 172 1. 00 96. 40 P ATOM 173 N THR P 22 4. 807-23. 616-22. 502 1. 00 93_91 P ATOM 174 CA THR P 22 3. 967-23. 260-23. 633 1. 00 93. 98 P ATOM 175 CB THR P 22 4. 177-24. 242-24. 805 1. 00 94. 00 P ATOM 176 OG1 THR P 22 5. 482-24. 036-25. 366 1. 00 93. 32 P ATOM 177 CG2 THR P 22 3. 131-24. 025-25. 886 1. 00 93. 45 P ATOM 178 C THR P 22 2. 475-23. 161-23. 303 1. 00 93. 15 P ATOM 179 O THR P 22 1. 836-22. 151-23. 624 1. 00 93. 58 P ATOM 180 N LYS P 23 1. 916-24. 192-22. 671 1. 00 92. 31 P ATOM 181 CA LYS P 23 0. 492-24. 175-22. 319 1. 00 90. 71 P ATOM 182 CB LYS P 23 0. 109-25. 400-21. 484 1. 00 92. 67 P ATOM 183 CG LYS P 23-0. 054-26. 694-22. 261 1. 00 94. 29 P ATOM 184 CD LYS P 23-0. 552-27. 803-21. 346 1. 00 96. 63 P ATOM 185 CE LYS P 23-0. 802-29. 098-22. 119 1. 00 97. 70 P ATOM 186 NZ LYS P 23-1. 311-30. 195-21. 248 1. 00 98. 86 P ATOM 187 C LYS P 23 0. 134-22. 928-21. 531 1. 00 87. 14 P ATOM 188 O LYS P 23-0. 682-22. 114-21. 977 1. 00 87. 00 P ATOM 189 N ARG P 24 0. 748-22. 786-20. 359 1. 00 82. 81 P ATOM 190 CA ARG P 24 0. 487-21. 646-19. 509 1. 00 79. 62 P ATOM 191 CB ARG P 24 1. 283-21. 775-18. 220 1. 00 79. 79 P ATOM 192 CG ARG P 24 0. 614-22. 695-17. 223 1. 00 80. 80 P ATOM 193 CD ARG P 24 1. 565-23. 145-16. 153 1. 00 84. 57 P ATOM 194 NE ARG P 24 0. 868-23. 818-15. 064 1. 00 87. 79 P ATOM 195 CZ ARG P 24 0. 263-23. 181-14. 069 1. 00 91. 11 P ATOM 196 NH1 ARG P 24 0. 274-21. 853-14. 022 1. 00 91. 99 P ATOM 197 NH2 ARG P 24-0. 354-23. 868-13. 119 1. 00 93. 25 P ATOM 198 C ARG P 24 0. 759-20. 314-20. 182 1. 00 76. 37 P ATOM 199 O ARG P 24-0. 143-19. 494-20. 305 1. 00 76. 81 P ATOM 200 N LYS P 25 1. 989-20. 086-20. 615 1. 00 73. 65 P ATOM 201 CA LYS P 25 2. 310-18. 836-21. 286 1. 00 72. 11 P ATOM 202 CB LYS P 25 3. 515-18. 999-22. 214 1. 00 75. 24 P ATOM 203 CG LYS P 25 3. 683-17. 821-23. 200 1. 00 78. 25 P ATOM 204 CD LYS P 25 5. 054-17. 811-23. 877 1. 00 78. 26 P ATOM 205 CE LYS P 25 5. 236-19. 049-24. 714 1. 00 78. 72 P ATOM 206 NZ LYS P 25 4. 124-19. 159-25. 687 1. 00 78. 94 P ATOM 207 C LYS P 25 1. 133-18. 374-22. 123 1. 00 69. 46 P ATOM 208 O LYS P 25 0. 822-17. 199-22. 185 1. 00 69. 16 P ATOM 209 N PHE P 26 0. 467-19. 310-22. 774 1. 00 67. 09 P ATOM 210 CA PHE P 26-0. 658-18. 931-23. 601 1. 00 64. 59 P ATOM 211 CB PHE P 26-1. 148-20. 073-24. 467 1. 00 58. 01 P ATOM 212 CG PHE P 26-2. 262-19. 676-25. 337 1. 00 51. 76 P ATOM 213 CD1 PHE P 26-2. 053-18. 762-26. 350 1. 00 50. 08 P ATOM 214 CD2 PHE P 26-3. 534-20. 123-25. 090 1. 00 48. 78 P ATOM 215 CE1 PHE P 26-3. 127-18. 293-27. 129 1. 00 50. 37 P ATOM 216 CE2 PHE P 26-4. 625-19. 667-25. 858 1. 00 49. 07 P ATOM 217 CZ PHE P 26-4. 431-18. 745-26. 874 1. 00 47. 98 P ATOM 218 C PHE P 26-1. 812-18. 462-22. 753 1. 00 66. 26 P ATOM 219 O PHE P 26-2. 291-17. 337-22. 921 1. 00 67. 65 P ATOM 220 N GLY P 27-2. 262-19. 334-21. 853 1. 00 67. 33 P ATOM 221 CA GLY P 27-3. 364-18. 989-20. 971 1. 00 66. 16 P ATOM 222 C GLY P 27-3. 135-17. 658-20. 285 1. 00 64. 26 P ATOM 223 0 GLY P 27-4. 069-16. 871-20. 151 1. 00 66. 56 P ATOM 224 N LEU P 28-1. 904-17. 409-19. 848 1. 00 60. 58 P ATOM 225 CA LEU P 28-1. 564-16. 166-19. 187 1. 00 59. 93 P ATOM 226 CB LEU P 28-0. 092-16. 141-18. 803 1. 00 55. 15 P ATOM 227 CG LEU P 28 0. 408-14. 901-18. 077 1. 00 53. 86 P ATOM 228 CD1 LEU P 28 0. 005-14. 907-16 650 1. 00 53. 27 P ATOM 229 CD2 LEU P 28 1. 890-14. 890-18. 143 1. 00 54. 77 P ATOM 230 C LEU P 28-1. 854-15. 010-20. 119 1. 00 62. 17 P ATOM 231 0 LEU P 28-2. 448-14. 023-19. 704 1. 00 64. 73 P ATOM 232 N MET P 29-1. 424-15. 128-21. 374 1. 00 64. 38 P ATOM 233 CA MET P 29-1. 644-14. 077-22. 375 1. 00 64. 84 P ATOM 234 CB MET P 29-0. 874-14. 376-23. 671 1. 00 67. 21 P ATOM 235 CG MET P 29 0. 618-14. 592-23. 458- 1. 00 69. 70 P ATOM 236 SD MET P 29 1. 575-14. 761-24. 982 1. 00 73. 71 P ATOM 237 CE MET P 29 2. 680-13. 389-24. 846 1. 00 71. 07 P ATOM 238 C MET P 29-3. 129-13. 992-22. 672 1. 00 63. 69 P ATOM 239 0 MET P 29-3. 663-12. 925-22. 944 1. 00 64. 32 P ATOM 240 N LYS P 30-3. 799-15. 133-22. 616 1. 00 63. 87 P ATOM 241 CA LYS P 30-5. 231-15. 174-22. 862 1. 00 65. 11 P ATOM 242 CB LYS P 30-5. 762-16. 607-22. 755 1. 00 65. 86 P ATOM 243 CG LYS P 30-7. 239-16. 732-23. 084 1. 00 67. 34 P ATOM 244 CD LYS P 30-7. 705-18. 171-22. 896 1. 00 69. 80 P ATOM 245 CE LYS P 30-9. 189-18. 301-23. 189 1. 00 72. 03 P ATOM 246 NZ LYS P 30-9. 646-19. 702-22. 971 1. 00 74. 94 P ATOM 247 C LYS P 30-5. 893-14. 297-21. 804 1. 00 64. 51 P ATOM 248 O LYS P 30-6. 651-13. 383-22. 138 1. 00 65. 68 P ATOM 249 N LYS P 31-5. 593-14. 575-20. 531 1. 00 63. 45 P ATOM 250 CA LYS P 31-6. 149-13. 798-19. 425 1. 00 62. 05 P ATOM 251 CB LYS P 31-5. 739-14. 395-18. 082 1. 00 59. 37 P ATOM 252 CG LYS P 31-6. 608-15. 591-17. 693 1. 00 55. 07 P ATOM 253 CD LYS P 31-6. 665-15. 784-16. 167 1. 00 52. 73 P ATOM 254 CE LYS P 31-7. 670-16. 856-15. 781 1. 00 50. 60 P ATOM 255 NZ LYS P 31-8. 970-16. 700-16. 491 1. 00 49. 18 P ATOM 256 C LYS P 31-5. 769-12. 320-19. 497 1. 00 60. 77 P ATOM 257 O LYS P 31-6. 580-11. 453-19. 203 1. 00 61. 62 P ATOM 258 N ALA P 32-4. 545-12. 022-19. 906 1. 00 59. 51 P ATOM 259 CA ALA P 32-4. 146-10. 627-20. 063 1. 00 58. 10 P ATOM 260 CB ALA P 32-2. 711-10. 518-20. 571 1. 00 58. 29 P ATOM 261 C ALA P 32-5. 107-10. 035-21. 096 1. 00 58. 12 P ATOM 262 O ALA P 32-5. 740-9. 019-20. 831 1. 00 59. 11 P ATOM 263 N TYR P 33-5. 216-10. 669-22. 268 1. 00 55. 81 P ATOM 264 CA TYR P 33-6. 128-10. 186-23. 297 1. 00 51. 91 P ATOM 265 CB TYR P 33-6. 177-11. 172-24. 477 1. 00 42. 36 P ATOM 266 CG TYR P 33-7. 538-11. 342-25. 104 1. 00 34. 05 P ATOM 267 CD1 TYR P 33-8. 064-10. 406-25. 979 1. 00 31. 02 P ATOM 268 CE1 TYR P 33-9. 366-10. 542-26. 494 1. 00 31. 76 P ATOM 269 CD2 TYR P 33-8. 323-12. 431-24. 768 1. 00 35. 32 P ATOM 270 CE2 TYR P 33-9. 604-12. 592-25. 281 1. 00 35. 40 P ATOM 271 CZ TYR P 33-10. 125-11. 644-26. 126 1. 00 34. 05 P ATOM 272 OH TYR P 33-11. 444-11. 799-26. 490 1. 00 40. 79 P ATOM 273 C TYR P 33-7. 529-9. 997-22. 698 1. 00 53. 32 P ATOM 274 O TYR P 33-8. 179-8. 965-22. 943 1. 00 56. 34 P ATOM 275 N GLU P 34-8. 002-10. 974-21. 930 1. 00 52. 96 P ATOM 276 CA GLU P 34-9. 329-10. 852-21. 353 1. 00 55. 56 P ATOM 277 CB GLU P 34-9. 675-12. 099-20. 531 1. 00 56. 14 P ATOM 278 CG GLU P 34-9. 772-13. 374-21. 338 1. 00 55. 70 P ATOM 279 CD GLU P 34-10. 533-14. 484-20. 615 1. 00 57. 32 P ATOM 280 OE1 GLU P 34-10. 273-14. 760-19. 422 1. 00 56. 08 P ATOM 281 OE2 GLU P 34-11. 402-15. 105-21. 256 1. 00 61. 17 P ATOM 282 C GLU P 34-9. 409-9. 588-20. 481 1. 00 56. 08 P ATOM 283 O GLU P 34-10. 235-8. 710-20. 722 1. 00 59. 00 P ATOM 284 N LEU P 35-8. 549-9. 496-19. 478 1. 00 54. 21 P ATOM 285 CA LEU P 35-8. 552-8. 341-18. 614 1. 00 53. 99 P ATOM 286 CB LEU P 35-7. 364-8. 395-17. 655 1. 00 51. 81 P ATOM 287 CG LEU P 35-7. 180-7. 183-16. 724 1. 00 51. 98 P ATOM 288 CD1 LEU P 35-8. 462-6. 968-15. 921 1. 00 50. 28 P ATOM 289 CD2 LEU P 35-5. 981-7. 412-15. 788 1. 00 48. 26 P ATOM 290 C LEU P 35-8. 469-7. 081-19. 453 1. 00 56. 65 P ATOM 291 O LEU P 35-9. 036-6. 050-19. 115 1. 00 57. 65 P ATOM 292 N SER P 36-7. 751-7. 168-20. 559 1. 00 59. 43 P ATOM 293 CA SER P 36-7. 574-6. 020-21. 428 1. 00 61. 29 P ATOM 294 CB SER P 36-6. 588-6. 323-22. 535 1. 00 60. 80 P ATOM 295 OG SER P 36-6. 515-5. 197-23. 379 1. 00 64. 75 P ATOM 296 C SER P 36-8. 872-5. 550-22. 054 1. 00 62. 21 P ATOM 297 O SER P 36-9. 149-4. 340-22. 085 1. 00 66. 55 P ATOM 298 N VAL P 37-9. 671-6. 486-22. 549 1. 00 59. 61 P ATOM 299 CA VAL P 37-10. 943-6. 110-23. 156 1. 00 61. 68 P ATOM 300 CB VAL P 37-11. 416-7. 213-24. 097 1. 00 59. 67 P ATOM 301 CG1 VAL P 37-12. 805-6. 910-24. 613 1. 00 57. 28 P ATOM 302 CG2 VAL P 37-10. 450-7. 346-25. 221 1. 00 58. 20 P ATOM 303 C VAL P 37-12. 057-5. 803-22. 122 1 00 63. 12 P ATOM 304 O VAL P 37-12. 710-4. 744-22. 169 1. 00 61. 89 P ATOM 305 N LEU P 38-12. 277-6. 760-21. 222 1. 00 64. 55 P ATOM 306 CA LEU P 38-13. 265-6. 650-20. 152 1. 00 63. 03 P ATOM 307 CB LEU P 38-13. 037-7. 741-19. 102 1. 00 62. 18 P ATOM 308 CG LEU P 38-13. 477-9. 168-19. 396 1. 00 63. 14 P ATOM 309 CD1 LEU P 38-12. 859-10. 130-18. 388 1. 00 63. 24 P ATOM 310 CD2 LEU P 38-14. 989-9. 217-19. 332 1. 00 63. 40 P ATOM 311 C LEU P 38-13. 214-5. 297-19. 448 1. 00 61. 22 P ATOM 312 O LEU P 38-14. 224-4. 602-19. 381 1. 00 62. 90 P ATOM 313 N CYS P 39-12. 052-4. 940-18. 911 1. 00 57. 97 P ATOM 314 CA CYS P 39-11. 902-3. 676-18. 189 1. 00 58. 13 P ATOM 315 CB CYS P 39-11. 064-3. 895-16. 947 1. 00 56. 55 P ATOM 316 SG CYS P 39-11. 641-5. 257-15. 938 1. 00 55. 61 P ATOM 317 C CYS P 39-11. 282-2. 539-18. 965 1. 00 59. 04 P ATOM 318 O CYS P 39-10. 780-1. 597-18. 377 1. 00 56. 01 P ATOM 319 N ASP P 40-11. 308-2. 637-20. 284 1. 00 64. 53 P ATOM 320 CA ASP P 40-10. 743-1. 601-21. 132 1. 00 68. 64 P ATOM 321 CB ASP P 40-11. 804-0. 514-21. 380 1. 00 72. 32 P ATOM 322 CG ASP P 40-11. 215 0. 760-21. 993 1. 00 76. 64 P ATOM 323 OD1 ASP P 40-10. 569 0. 675-23. 074 1. 00 80. 74 P ATOM 324 OD2 ASP P 40-11. 395 1. 844-21. 378 1. 00 79. 37 P ATOM 325 C ASP P 40-9. 458-0. 978-20. 555 1. 00 69. 02 P ATOM 326 O ASP P 40-9. 477 0. 153-20. 054 1. 00 71. 04 P ATOM 327 N CYS P 41-8. 346-1. 710-20. 632 1. 00 67. 92 P ATOM 328 CA CYS P 41-7. 075-1. 205-20. 130 1. 00 67. 60 P ATOM 329 CB CYS P 41-6. 861-1. 650-18. 677 1. 00 67. 67 P ATOM 330 SG CYS P 41-6. 786-3. 446-18. 482 1. 00 73. 55 P ATOM 331 C CYS P 41-5. 983-1. 766-21. 033 1. 00 65. 90 P ATOM 332 O CYS P 41-6. 196-2. 775-21. 692 1. 00 65. 42 P ATOM 333 N GLU P 42-4. 829-1. 107-21. 069 1. 00 65. 42 P ATOM 334 CA GLU P 42-3. 707-1. 537-21. 893 1. 00 65. 22 P ATOM 335 CB GLU P 42-2. 925-0. 335-22. 411 1. 00 69. 98 P ATOM 336 CG GLU P 42-3. 745 0. 719-23. 136 1. 00 77. 61 P ATOM 337 CD GLU P 42-2. 867 1. 851-23. 664 1. 00 83. 26 P ATOM 338 OE1 GLU P 42-2. 011 1. 575-24. 542 1. 00 85. 50 P ATOM 339 OE2 GLU P 42-3. 030 3. 008-23. 195 1. 00 86. 32 P ATOM 340 C GLU P 42-2. 767-2. 366-21. 062 1. 00 62. 48 P ATOM 341 O GLU P 42-2. 500-2. 010-19. 925 1. 00 63. 54 P ATOM 342 N ILE P 43-2. 233-3. 447-21. 625 1. 00 58. 36 P ATOM 343 CA ILE P 43-1. 310-4. 299-20. 871 1. 00 53. 71 P ATOM 344 CB ILE P 43-2. 002-5. 574-20. 343 1. 00 52. 41 P ATOM 345 CG2 ILE P 43-1. 117-6. 268-19. 350 1. 00 50. 07 P ATOM 346 CG1 ILE P 43-3. 323-5. 219-19. 671 1. 00 50. 40 P ATOM 347 CD1 ILE P 43-4. 184-6. 393-19. 425 1. 00 49. 07 P ATOM 348 C ILE P 43-0. 161-4. 761-21. 719 1. 00 52. 79 P ATOM 349 O ILE P 43-0. 345-5. 033-22. 878 1. 00 54. 02 P ATOM 350 N ALA P 44 1. 020-4. 862-21. 125 1. 00 53. 29 P ATOM 351 CA ALA P 44 2. 233-5. 334-21. 795 1. 00 52. 54 P ATOM 352 CB ALA P 44 3. 300-4. 308-21. 730 1. 00 46. 70 P ATOM 353 C ALA P 44 2. 700-6. 548-21. 022 1. 00 55. 00 P ATOM 354 O ALA P 44 2. 746-6. 504-19. 800 1. 00 56. 80 P ATOM 355 N LEU P 45 3. 040-7. 631-21. 712 1. 00 57. 52 P ATOM 356 CA LEU P 45 3. 514-8. 813-21. 016 1. 00 58. 27 P ATOM 357 CB LEU P 45 2 460-9. 905-21. 128 1. 00 61. 03 P ATOM 358 CG LEU P 45 2. 774-11 265-20. 507 1. 00 61. 59 P ATOM 359 CD1 LEU P 45 3. 313-11. 073-19. 094 1. 00 63. 56 P ATOM 360 CD2 LEU P 45 1. 529-12. 117-20. 511 1. 00 60. 79 P ATOM 361 C LEU P 45 4. 853-9. 296-21. 577 1. 00 57. 88 P ATOM 362 O LEU P 45 4. 899-9. 803-22. 682 1. 00 59. 75 P ATOM 363 N ILE P 46 5. 931-9. 150-20. 813 1. 00 56. 98 P ATOM 364 CA ILE P 46 7. 259-9. 567-21. 253 1. 00 56. 87 P ATOM 365 CB ILE P 46 8. 272-8. 498-20. 965 1. 00 55. 62 P ATOM 366 CG2 ILE P 46 9. 662-9 065-21. 106 1. 00 52. 46 P ATOM 367 CG1 ILE P 46 7. 997-7. 284-21. 849 1. 00 55. 73 P ATOM 368 CD1 ILE P 46 8. 890-6. 117-21. 561 1. 00 52. 97 P ATOM 369 C ILE P 46 7. 765-10. 821-20. 559 1. 00 59. 83 P ATOM 370 O ILE P 46 7. 936-10. 816-19. 352 1. 00 59. 65 P ATOM 371 N ILE P 47 8. 043-11. 880-21. 323 1. 00 62. 55 P ATOM 372 CA ILE P 47 8. 529-13. 138-20. 755 1-00 63. 03 P ATOM 373 CB ILE P 47 7. 597-14. 286-21. 065 1. 00 58. 64 P ATOM 374 CG2 ILE P 47 7. 864-15. 396-20. 107 1. 00 60. 32 P ATOM 375 CG1 ILE P 47 6. 154-13. 865-20. 863 1. 00 57. 26 P ATOM 376 CD1 ILE P 47 5. 163-15. 010-20. 955 1. 00 54. 69 P ATOM 377 C ILE P 47 9. 897-13. 524-21. 292 1. 00 66. 08 P ATOM 378 O ILE P 47 10. 167-13. 345-22. 463 1. 00 68. 29 P ATOM 379 N PHE P 48 10. 753-14. 056-20. 432 1. 00 70. 31 P ATOM 380 CA PHE P 48 12. 102-14. 487-20. 814 1. 00 75. 27 P ATOM 381 CB PHE P 48 13. 149-13. 542-20. 205 1. 00 76. 41 P ATOM 382 CG PHE P 48 13. 489-12. 342-21. 057 1. 00 76. 80 P ATOM 383 CD1 PHE P 48 13. 814-11. 126-20. 460 1. 00 76. 42 P ATOM 384 CD2 PHE P 48 13. 547-12. 433-22. 441 1. 00 76. 19 P ATOM 385 CE1 PHE P 48 14. 196-10. 017-21. 229 1. 00 75. 74 P ATOM 386 CE2 PHE P 48 13. 929-11. 329-23. 212 1. 00 76. 46 P ATOM 387 CZ PHE P 48 14. 252-10. 121-22. 598 1. 00 75. 61 P ATOM 388 C PHE P 48 12. 317-15. 895-20. 238 1. 00 78. 30 P ATOM 389 O PHE P 48 12. 054-16. 114-19. 059 1. 00 78. 95 P ATOM 390 N ASN P 49 12. 784-16. 850-21. 042 1. 00 81. 51 P ATOM 391 CA ASN P 49 13. 020-18. 204-20. 517 1. 00 85. 00 P ATOM 392 CB ASN P 49 12. 573-19. 270-21. 512 1. 00 84. 17 P ATOM 393 CG ASN P 49 13. 313-19. 188-22. 819 1. 00 84. 61 P ATOM 394 OD1 ASN P 49 14. 444-18. 691-22. 894 1. 00 84. 09 P ATOM 395 ND2 ASN P 49 12. 685-19. 700-23. 865 1. 00 84. 78 P ATOM 396 C ASN P 49 14. 486-18. 452-20. 178 1. 00 88. 08 P ATOM 397 O ASN P 49 15. 328-17. 563-20. 309 1. 00 90. 15 P ATOM 398 N SER P 50 14. 794-19. 670-19. 743 1. 00 90. 81 P ATOM 399 CA SER P 50 16. 173-20. 024-19. 404 1. 00 93. 00 P ATOM 400 CB SER P 50 16. 303-21. 539-19. 219 1. 00 93. 18 P ATOM 401 OG SER P 50 15. 378-22. 017-18. 260 1. 00 92. 60 P ATOM 402 C SER P 50 17. 133-19. 574-20. 507 1. 00 94. 50 P ATOM 403 O SER P 50 18. 072-18. 806-20. 260 1. 00 95. 58 P ATOM 404 N ALA P 51 16. 877-20. 055-21. 723 1. 00 94. 67 P ATOM 405 CA ALA P 51 17. 702-19. 726-22. 877 1. 00 94. 91 P ATOM 406 CB ALA P 51 17. 385-20. 678-24. 044 1. 00 94. 59 P ATOM 407 C ALA P 51 17. 506-18. 271-23. 304 1. 00 94. 83 P ATOM 408 O ALA P 51 17. 866-17. 887-24. 423 1. 00 96. 52 P ATOM 409 N ASN P 52 16. 940-17. 469-22. 405 1. 00 92. 72 P ATOM 410 CA ASN P 52 16. 711-16. 055-22. 660 1. 00 90. 57 P ATOM 411 CB ASN P 52 18. 043-15. 323-22. 759 1. 00 88. 66 P ATOM 412 CG ASN P 52 18. 624-15. 027-21. 420 1. 00 89. 09 P ATOM 413 OD1 ASN P 52 18. 667-15. 890-20. 552 1. 00 88. 50 P ATOM 414 ND2 ASN P 52 19. 082-13. 799-21. 230 1. 00 88. 97 P ATOM 415 C ASN P 52 15. 897-15. 764-23. 901 1. 00 90. 51 P ATOM 416 O ASN P 52 16. 049-14. 694-24. 503 1. 00 92. 21 P ATOM 417 N ARG P 53 15. 033-16. 692-24. 295 1. 00 88. 80 P ATOM 418 CA ARG P 53 14. 219-16. 467-25. 487 1. 00 87. 61 P ATOM 419 CB ARG P 53 13. 670-17. 797-26. 006 1. 00 89. 40 P ATOM 420 CG ARG P 53 13. 423-17. 842-27. 499 1. 00 90. 96 P ATOM 421 CD ARG P 53 12. 907-19. 214-27. 918 1. 00 94. 69 P ATOM 422 NE ARG P 53 13. 000-19. 432-29. 364 1. 00 98. 27 P ATOM 423 CZ ARG P 53 14. 140-19. 581-30. 040 1. 00 97. 88 P ATOM 424 NH1 ARG P 53 15. 308-19. 546-29. 412 1. 00 98. 28 P ATOM 425 NH2 ARG P 53 14. 114-19. 748-31. 354 1. 00 98. 22 P ATOM 426 C ARG P 53 13. 082-15. 517-25. 107 1. 00 84. 70 P ATOM 427 O ARG P 53 12. 325-15. 797-24. 182 1. 00 84. 99 P ATOM 428 N LEU P 54 12. 976-14. 393-25. 815 1. 00 80. 51 P ATOM 429 CA LEU P 54 11. 948-13. 406-25. 516 1. 00 76. 43 P ATOM 430 CB LEU P 54 12. 371-12. 017-26. 009 1. 00 74. 80 P ATOM 431 CG LEU P 54 11. 308-10. 927-25. 895 1. 00 73. 82 P ATOM 432 CD1 LEU P 54 10. 901-10. 818-24. 444 1. 00 72. 65 P ATOM 433 CD2 LEU P 54 11. 826-9. 602-26. 420 1. 00 72. 95 P ATOM 434 C LEU P 54 10. 582-13. 726-26. 081 1. 00 74. 97 P ATOM 435 O LEU P 54 10. 457-14. 107-27. 233 1. 00 77. 29 P ATOM 436 N PHE P 55 9. 556-13. 569-25. 252 1. 00 72. 39 P ATOM 437 CA PHE P 55 8. 161-13. 781-25. 649 1. 00 68. 22 P ATOM 438 CB PHE P 55 7. 587-15. 057-25. 028 1. 00 68. 94 P ATOM 439 CG PHE P 55 8. 370-16. 298-25. 335 1. 00 71. 40 P ATOM 440 CD1 PHE P 55 9. 665-16. 474-24. 841 1. 00 68. 83 P ATOM 441 CD2 PHE P 55 7. 786-17. 329-26. 086 1. 00 72. 10 P ATOM 442 CE1 PHE P 55 10. 348-17. 649-25. 081 1. 00 67. 60 P ATOM 443 CE2 PHE P 55 8. 473-18. 517-26. 328 1. 00 68. 62 P ATOM 444 CZ PHE P 55 9. 751-18. 674-25. 824 1. 00 67. 98 P ATOM 445 C PHE P 55 7. 414-12. 568-25. 094 1. 00 65. 09 P ATOM 446 O PHE P 55 7. 639-12. 169-23. 942 1. 00 64. 65 P ATOM 447 N GLN P 56 6. 536-11. 981-25. 901 1. 00 59. 97 P ATOM 448 CA GLN P 56 5. 805-10. 828-25. 448 1. 00 55. 57 P ATOM 449 CB GLN P 56 6. 515-9. 570-25. 898 1. 00 55. 17 P ATOM 450 CG GLN P 56 6. 433-9. 344-27. 379 1. 00 55. 13 P ATOM 451 CD GLN P 56 6. 961-7. 967-27. 809 1. 00 54. 18 P ATOM 452 OE1 GLN P 56 8. 143-7. 634-27. 631 1. 00 51. 28 P ATOM 453 NE2 GLN P 56 6. 077-7. 168-28. 384 1. 00 51. 84 P ATOM 454 C GLN P 56 4. 372-10. 776-25. 914 1. 00 54. 32 P ATOM 455 O GLN P 56 3. 949-11. 520-26. 781 1. 00 53. 66 P ATOM 456 N TYR P 57 3. 626-9. 873-25. 294 1. 00 55. 06 P ATOM 457 CA TYR P 57 2. 222-9. 630-25. 596 1. 00 52. 76 P ATOM 458 CB TYR P 57 1. 331-10. 478-24. 697 1. 00 52. 15 P ATOM 459 CG TYR P 57-0. 075-9. 933-24. 550 1. 00 52. 00 P ATOM 460 CD1 TYR P 57-1. 099-10. 343-25. 381 1. 00 48. 70 P ATOM 461 CE1 TYR P 57-2. 388-9. 828-25. 228 1. 00 52. 08 P ATOM 462 CD2 TYR P 57-0. 366-8. 984-23. 559 1. 00 54. 42 P ATOM 463 CE2 TYR P 57-1. 642-8. 457-23. 401 1. 00 52. 60 P ATOM 464 CZ TYR P 57-2. 658-8. 881-24. 227 1. 00 53. 59 P ATOM 465 OH TYR P 57-3. 940-8. 377-24. 018 1. 00 51. 91 P ATOM 466 C TYR P 57 1. 917-8. 152-25. 370 1. 00 51. 56 P ATOM 467 O TYR P 57 2. 625-7. 454-24. 638 1. 00 49. 69 P ATOM 468 N ALA P 58 0. 864-7. 679-26. 013 1. 00 51. 36 P ATOM 469 CA ALA P 58 0. 469-6. 301-25. 881 1. 00 50. 95 P ATOM 470 CB ALA P 58 1. 349-5. 431-26. 703 1. 00 47. 88 P ATOM 471 C ALA P 58-0. 951-6. 222-26. 364 1. 00 53. 94 P ATOM 472 O ALA P 58-1. 271-6. 714-27. 427 1. 00 54. 23 P ATOM 473 N SER P 59-1. 822-5. 636-25. 554 1. 00 59. 59 P ATOM 474 CA SER P 59-3. 229-5. 499-25. 924 1. 00 62. 71 P ATOM 475 CB SER P 59-3. 994-4. 738-24. 837 1. 00 61. 86 P ATOM 476 OG SER P 59-3. 299-3. 561-24. 460 1. 00 64. 77 P ATOM 477 C SER P 59-3. 324-4. 757-27. 255 1. 00 66. 05 P ATOM 478 O SER P 59-4. 156-5. 077-28. 099 1. 00 68. 00 P ATOM 479 N THR P 60-2. 462-3. 776-27. 467 1. 00 67. 86 P ATOM 480 CA THR P 60-2. 504-3. 054-28. 726 1. 00 70. 66 P ATOM 481 CB THR P 60-2. 913-1. 600-28. 491 1. 00 73. 84 P ATOM 482 OG1 THR P 60-2. 038-0. 995-27. 515 1. 00 76. 19 P ATOM 483 CG2 THR P 60-4. 384-1. 563-28. 015 1. 00 73. 22 P ATOM 484 C THR P 60-1. 163-3. 124-29. 426 1. 00 70. 16 P ATOM 485 O THR P 60-1. 094-3. 510-30. 574 1. 00 68. 74 P ATOM 486 N ASP P 61-0. 102-2. 731-28. 738 1. 00 70. 95 P ATOM 487 CA ASP P 61 1. 228-2. 808-29. 309 1. 00 73. 19 P ATOM 488 CB ASP P 61 1. 364-1. 903-30. 536 1. 00 77. 36 P ATOM 489 CG ASP P 61 1. 336-0. 415-30. 181 1. 00 80. 71 P ATOM 490 OD1 ASP P 61 0. 233 0. 047-29. 797 1. 00 81. 97 P ATOM 491 OD2 ASP P 61 2. 400 0. 273-30. 278 1. 00 80. 51 P ATOM 492 C ASP P 61 2. 268-2. 435-28. 281 1. 00 72. 84 P ATOM 493 O ASP P 61 2. 083-1. 513-27. 492 1. 00 71. 83 P ATOM 494 N MET P 62 3. 370-3. 167-28. 301 1. 00 73. 13 P ATOM 495 CA MET P 62 4. 434-2. 941-27. 352 1. 00 73. 65 P ATOM 496 CB MET P 62 5. 579-3. 900-27. 653 1. 00 73. 93 P ATOM 497 CG MET P 62 6. 540-4. 096-26. 506 1. 00 75. 74 P ATOM 498 SD MET P 62 5. 710-4. 252-24. 910 1. 00 78. 29 P ATOM 499 CE MET P 62 5. 026-5. 889-25. 050 1. 00 77. 22 P ATOM 500 C MET P 62 4. 920-1. 496-27. 343 1. 00 74. 33 P ATOM 501 O MET P 62 5. 306-0. 977-26. 299 1. 00 74. 02 P ATOM 502 N ASP P 63 4. 871-0. 838-28. 500 1. 00 75. 72 P ATOM 503 CA ASP P 63 5. 334 0. 545-28. 618 1. 00 76. 99 P ATOM 504 CB ASP P 63 5. 192 1. 044-30. 058 1. 00 79. 63 P ATOM 505 CG ASP P 63 6. 118 0. 322-31. 037 1. 00 82. 32 P ATOM 506 OD1 ASP P 63 5. 780-0. 813-31. 457 1. 00 83. 73 P ATOM 507 OD2 ASP P 63 7. 183 0. 891-31. 381 1. 00 81. 91 P ATOM 508 C ASP P 63 4. 575 1. 491-27. 703 1. 00 76. 87 P ATOM 509 0 ASP P 63 5. 159 2. 141-26. 825 1. 00 75. 83 P ATOM 510 N ARG P 64 3. 269 1. 579-27. 928 1. 00 76. 34 P ATOM 511 CA ARG P 64 2. 423 2. 449-27. 131 1. 00 74. 92 P ATOM 512 CB ARG P 64 0. 949 2. 196-27. 463 1. 00 78. 13 P ATOM 513 CG ARG P 64 0. 524 2. 832-28. 789 1. 00 84. 85 P ATOM 514 CD ARG P 64-0. 813 2. 312-29. 317 1. 00 88. 68 P ATOM 515 NE ARG P 64-1. 959 2. 716-28. 511 1. 00 93. 59 P ATOM 516 CZ ARG P 64-3. 216 2. 412-28. 824 1. 00 95. 67 P ATOM 517 NH1 ARG P 64-3. 457 1. 698-29. 927 1. 00 95. 12 P ATOM 518 NH2 ARG P 64-4. 230 2. 832-28. 056 1. 00 96. 20 P ATOM 519 C ARG P 64 2. 668 2. 288-25. 640 1. 00 72. 13 P ATOM 520 O ARG P 64 3. 128 3. 232-24. 997 1. 00 72. 93 P ATOM 521 N VAL P 65 2. 396 1. 100-25. 098 1. 00 67. 27 P ATOM 522 CA VAL P 65 2. 568 0. 872-23. 674 1. 00 62. 95 P ATOM 523 CB VAL P 65 2. 259-0. 581-23. 291 1. 00 60. 52 P ATOM 524 CG1 VAL P 65 2. 784-0. 836-21. 884 1. 00 58. 02 P ATOM 525 CG2 VAL P 65 0. 774-0. 841-23. 363 1. 00 56. 00 P ATOM 526 C VAL P 65 3. 948 1. 249-23. 118 1. 00 63. 54 P ATOM 527 O VAL P 65 4. 050 2. 097-22. 214 1. 00 64. 14 P ATOM 528 N LEU P 66 5. 002 0. 625-23. 634 1. 00 63. 71 P ATOM 529 CA LEU P 66 6. 352 0. 911-23. 158 1. 00 62. 93 P ATOM 530 CB LEU P 66 7. 377 0. 201-24. 030 1. 00 63. 59 P ATOM 531 CG LEU P 66 7. 325-1. 319-24. 001 1. 00 65. 63 P ATOM 532 CD1 LEU P 66 7. 989-1. 832-25. 244 1. 00 68. 06 P ATOM 533 CD2 LEU P 66 8. 019-1. 865-22. 762 1. 00 66. 40 P ATOM 534 C LEU P 66 6. 617 2. 406-23. 185 1. 00 61. 80 P ATOM 535 O LEU P 66 7. 183 2. 956-22. 258 1. 00 59. 49 P ATOM 536 N LEU P 67 6. 203 3. 051-24. 270 1. 00 62. 40 P ATOM 537 CA LEU P 67 6. 360 4. 489-24. 442 1. 00 62. 63 P ATOM 538 CB LEU P 67 5. 891 4. 871-25. 857 1. 00 62. 83 P ATOM 539 CG LEU P 67 6. 358 6. 174-26. 523 1. 00 63. 49 P ATOM 540 CD1 LEU P 67 7. 871 6. 208-26. 621 1. 00 63. 41 P ATOM 541 CD2 LEU P 67 5. 750 6. 261-27. 922 1. 00 64. 49 P ATOM 542 C LEU P 67 5. 495 5. 177-23. 366 1. 00 62. 80 P ATOM 543 O LEU P 67 5. 964 6. 053-22. 642 1. 00 59. 33 P ATOM 544 N LYS P 68 4. 236 4. 753-23. 274 1. 00 64. 27 P ATOM 545 CA LYS P 68 3. 291 5. 279-22. 298 1. 00 67. 24 P ATOM 546 CB LYS P 68 1. 930 4. 587-22. 450 1. 00 67. 22 P ATOM 547 CG LYS P 68 0. 762 5. 546-22. 730 1. 00 68. 12 P ATOM 548 CD LYS P 68 0. 092 6. 034-21. 463 1. 00 65. 01 P ATOM 549 CE LYS P 68-0. 927 5. 034-20. 968 1. 00 63. 23 P ATOM 550 NZ LYS P 68-2. 062 4. 880-21. 928 1. 00 59. 76 P ATOM 551 C LYS P 68 3. 825 5. 038-20. 882 1. 00 70. 22 P ATOM 552 O LYS P 68 3. 352 5. 659-19. 904 1. 00 71. 79 P ATOM 553 N TYR P 69 4. 793 4. 128-20. 777 1. 00 69. 76 P ATOM 554 CA TYR P 69 5. 399 3. 803-19. 495 1. 00 70. 50 P ATOM 555 CB TYR P 69 5. 808 2. 332-19. 474 1. 00 66. 36 P ATOM 556 CG TYR P 69 6. 487 1. 884-18. 207 1. 00 59. 52 P ATOM 557 CD1 TYR P 69 5. 777 1. 251-17. 193 1. 00 58. 60 P ATOM 558 CE1 TYR P 69 6. 410 0. 828-16. 028 1. 00 57. 64 P ATOM 559 CD2 TYR P 69 7. 841 2. 087-18. 027 1. 00 59. 44 P ATOM 560 CE2 TYR P 69 8. 480 1. 679-16. 875 1. 00 59. 92 P ATOM 561 CZ TYR P 69 7. 759 1. 052-15. 884 1 00 60. 06 P ATOM 562 OH TYR P 69 8. 400 0. 660-14. 741 1. 00 63. 83 P ATOM 563 C TYR P 69 6. 620 4. 688-19. 304 1. 00 74. 15 P ATOM 564 O TYR P 69 7. 169 4. 791-18. 204 1. 00 73. 48 P ATOM 565 N THR P 70 7. 051 5. 326-20-387 1. 00 79. 83 P ATOM 566 CA THR P 70 8. 211 6. 213-20. 329 1. 00 85. 60 P ATOM 567 CB THR P 70 8. 767 6. 541-21. 736 1. 00 86. 34 P ATOM 568 OG1 THR P 70 9. 018 5. 333-22. 467 1. 00 88. 62 P ATOM 569 CG2 THR P 70 10. 060 7. 304-21. 617 1. 00 87. 89 P ATOM 570 C THR P 70 7. 704 7. 508-19. 722 1. 00 88. 52 p ATOM 571 O THR P 70 8. 475 8. 443-19. 477 1. 00 89. 11 p ATOM 572 N GLU P 71 6. 392 7. 525-19. 464 1. 00 91. 66 p ATOM 573 CA GLU P 71 5. 675 8. 682-18. 926 1-00 93. 30 P ATOM 574 CB GLU P 71 4. 373 8. 842-19. 702 1. 00 94. 87 P ATOM 575 CG GLU P 71 3. 768 10. 214-19. 569 1 00 97. 95 P ATOM 576 CD GLU P 71 4. 641 11. 267-20. 199 1. 00 99. 21 P ATOM 577 OE1 GLU P 71 5. 791 10. 936-20. 583 1. 00 99. 74 P ATOM 578 OE2 GLU P 71 4. 172 12. 422-20. 305 1. 00100. 73 P ATOM 579 C GLU P 71 5. 365 8. 725-17. 423 1. 00 93. 48 P ATOM 580 0 GLU P 71 5. 720 9. 680-16. 741 1. 00 93. 24 P ATOM 581 N TYR P 72 4. 681 7. 704-16. 919 1. 00 94. 50 P ATOM 582 CA TYR P 72 4. 320 7. 643-15. 506 1. 00 94. 83 P ATOM 583 CB TYR P 72 2. 801 7. 513-15. 358 1. 00 94. 27 P ATOM 584 CG TYR P 72 2. 002 8. 286-16. 384 1. 00 93. 40 P ATOM 585 CD1 TYR P 72 2. 042 9. 675-16. 436 1. 00 94. 03 P ATOM 586 CE1 TYR P 72 1. 301 10. 384-17. 386 1. 00 93. 12 P ATOM 587 CD2 TYR P 72 1. 204 7. 625-17. 306 1. 00 93. 44 P ATOM 588 CE2 TYR P 72 0. 460 8. 328-18. 264 1. 00 92. 42 P ATOM 589 CZ TYR P 72 0. 518 9. 700-18. 295 1. 00 91. 90 P ATOM 590 OH TYR P 72-0. 193 10. 382-19. 243 1. 00 91. 43 P ATOM 591 C TYR P 72 4. 982 6. 431-14. 871 1. 00 95. 29 P ATOM 592 0 TYR P 72 4. 327 5. 416-14. 667 1. 00 95. 77 P ATOM 593 N SER P 73 6. 270 6. 531-14. 561 1. 00 95. 38 P ATOM 594 CA SER P 73 6. 986 5. 406-13. 965 1. 00 96. 96 P ATOM 595 CB SER P 73 8. 487 5. 672-14. 041 1. 00 98. 06 P ATOM 596 OG SER P 73 9. 174 4. 553-14. 573 1. 00 99. 92 P ATOM 597 C SER P 73 6. 595 5. 083-12. 514 1. 00 97. 39 P ATOM 598 O SER P 73 7. 238 4. 265-11. 865 1. 00 96. 87 P ATOM 599 N GLU P 74 5. 535 5. 720-12. 020 1. 00 96. 90 P ATOM 600 CA GLU P 74 5. 057 5. 540-10. 649 1. 00 95. 32 P ATOM 601 CB GLU P 74 4. 500 6. 870-10. 141 1. 00 97. 18 P ATOM 602 CG GLU P 74 5. 245 8. 108-10. 678 1. 00 98. 97 P ATOM 603 CD GLU P 74 4. 507 9. 440-10. 437 1. 00100. 28 P ATOM 604 OE1 GLU P 74 4. 696 10. 042-9. 349 1. 00 98. 57 P ATOM 605 OE2 GLU P 74 3. 740 9. 875-11. 340 1. 00 99. 73 P ATOM 606 C GLU P 74 3. 977 4. 468-10. 563 1. 00 94. 46 P ATOM 607 0 GLU P 74 2. 816 4. 732-10. 839 1. 00 92. 46 P ATOM 608 N PRO P 75 4. 344 3. 244-10. 155 1. 00 95. 06 P ATOM 609 CD PRO P 75 5. 692 2. 800-9. 754 1. 00 95. 68 P ATOM 610 CA PRO P 75 3. 385 2. 136-10. 042 1. 00 94. 49 P ATOM 611 CB PRO P 75 4. 289 0. 903-10. 024 1. 00 95. 15 P ATOM 612 CG PRO P 75 5. 430 1. 387-9. 187 1. 00 96. 08 P ATOM 613 C PRO P 75 2. 504 2. 198-8. 798 1. 00 94. 05 P ATOM 614 O PRO P 75 2. 979 1. 965-7. 688 1. 00 92. 82 P ATOM 615 N HIS P 76 1. 220 2. 491-8. 984 1. 00 92. 94 P ATOM 616 CA HIS P 76 0. 297 2. 572-7. 857 1. 00 91. 48 P ATOM 617 CB HIS P 76-1. 074 3. 063-8. 322 1. 00 94. 91 P ATOM 618 CG HIS P 76-2. 029 3. 344-7. 201 1. 00 98. 26 P ATOM 619 CD2 HIS P 76-2. 317 4. 494-6. 546 1. 00 99. 15 P ATOM 620 ND1 HIS P 76-2. 791 2. 364-6. 602 1. 00 98. 89 P ATOM 621 CE1 HIS P 76-3. 507 2. 896-5. 627 1. 00 99. 83 P ATOM 622 NE2 HIS P 76-3. 238 4. 187-5. 571 1. 00101. 11 P ATOM 623 C HIS P 76 0. 193 1. 199-7. 218 1. 00 89. 22 P ATOM 624 O HIS P 76-0. 579 0. 971-6. 297 1. 00 88. 50 P ATOM 625 N GLU P 77 0. 997 0. 288-7. 742 1. 00 87. 53 P ATOM 626 CA GLU P 77 1. 113-1. 089-7. 268 1. 00 85. 69 P ATOM 627 CB GLU P 77-0. 155-1. 902-7. 550 1. 00 83. 42 P ATOM 628 CG GLU P 77 0. 072-3. 391-7. 370 1. 00 83. 91 P ATOM 629 CD GLU P 77-1. 172-4. 165-6. 999 1. 00 83. 19 P ATOM 630 OE1 GLU P 77-2. 184-4. 057-7. 722 1. 00 81. 99 P ATOM 631 OE2 GLU P 77-1. 126-4. 896-5. 981 1. 00 82. 87 P ATOM 632 C GLU P 77 2. 301-1. 669-8. 038 1. 00 85. 16 P ATOM 633 0 GLU P 77 2. 390-1. 483-9. 261 1. 00 86. 50 P ATOM 634 N SER P 78 3. 216-2. 345-7. 342 1. 00 83. 03 P ATOM 635 CA SER P 78 4. 388-2. 882-8. 013 1. 00 81. 57 P ATOM 636 CB SER P 78 5. 549-1. 896-7. 867 1. 00 81. 27 P ATOM 637 OG SER P 78 6. 698-2. 320-8. 590 1. 00 81. 39 P ATOM 638 C SER P 78 4. 821-4. 269-7. 557 1. 00 80. 81 P ATOM 639 O SER P 78 6. 004-4. 584-7. 554 1. 00 80. 47 P ATOM 640 N ARG P 79 3. 857-5. 107-7. 199 1. 00 80. 76 P ATOM 641 CA ARG P 79 4. 141-6. 474-6-745 1. 00 81. 41 P ATOM 642 CB ARG P 79 2. 965-7. 401-7. 095 1. 00 80. 04 P ATOM 643 CG ARG P 79 1. 680-7. 120-6. 365 1. 00 80. 08 P ATOM 644 CD ARG P 79 0. 694-8. 242-6. 660 1. 00 83. 33 P ATOM 645 NE ARG P 79-0. 528-8. 186-5. 849 1. 00 85. 80 P ATOM 646 CZ ARG P 79-0. 586-8. 391-4. 534 1. 00 85. 48 P ATOM 647 NH1 ARG P 79 0. 511-8. 676-3. 841 1. 00 84. 08 P ATOM 648 NH2 ARG P 79-1. 752-8. 305-3. 910 1. 00 85. 82 P ATOM 649 C ARG P 79 5. 441-7. 139-7. 239 1. 00 81. 55 P ATOM 650 O ARG P 79 5. 919-6. 891-8. 344 1. 00 80. 85 P ATOM 651 N THR P 80 5. 996-7. 994-6. 389 1. 00 82. 91 P ATOM 652 CA THR P 80 7. 212-8. 741-6. 702 1. 00 84. 24 P ATOM 653 CB THR P 80 8. 366-8. 424-5. 709 1. 00 86. 22 P ATOM 654 OG1 THR P 80 9. 514-9. 231-6. 019 1. 00 87. 19 P ATOM 655 CG2 THR P 80 7. 929-8. 700-4. 266 1. 00 87. 00 P ATOM 656 C THR P 80 6. 833-10. 202-6. 570 1. 00 83. 85 P ATOM 657 O THR P 80 5. 715-10. 512-6-169 1. 00 83. 54 P ATOM 658 N GLN P 81 7. 753-11. 096-6. 904 1. 00 84. 26 P ATOM 659 CA GLN P 81 7. 472-12. 521-6. 816 1. 00 86. 60 P ATOM 660 CB GLN P 81 8. 672-13. 325-7. 326 1. 00 86. 30 P ATOM 661 CG GLN P 81 8. 385-14. 777-7. 559 1. 00 86. 49 P ATOM 662 CD GLN P 81 7. 792-15. 030-8. 925 1. 00 87. 60 P ATOM 663 OE1 GLN P 81 6. 875-14. 328-9. 350 1. 00 86. 69 P ATOM 664 NE2 GLN P 81 8. 305-16. 050-9. 619 1. 00 88. 74 P ATOM 665 C GLN P 81 7. 149-12. 935-5. 368 1. 00 88. 71 P ATOM 666 O GLN P 81 6. 246-13. 758-5. 136 1. 00 89. 13 P ATOM 667 N THR P 82 7. 886-12. 369-4. 405 1. 00 89. 54 P ATOM 668 CA THR P 82 7. 690-12. 673-2. 991 1. 00 90. 06 P ATOM 669 CB THR P 82 8. 844-12. 126-2. 138 1. 00 90. 59 P ATOM 670 OG1 THR P 82 8. 768-10. 696-2. 094 1. 00 92. 85 P ATOM 671 CG2 THR P 82 10. 187-12. 549-2. 724 1. 00 89. 35 P ATOM 672 C THR P 82 6. 369-12. 109-2. 461 1. 00 90. 84 P ATOM 673 O THR P 82 5. 684-12. 784-1. 700 1. 00 91. 47 P ATOM 674 N ASP P 83 6. 014-10. 878-2. 834 1. 00 90. 90 P ATOM 675 CA ASP P 83 4. 739-10. 321-2. 386 1. 00 91. 63 P ATOM 676 CB ASP P 83 4. 373-9. 053-3. 149 1. 00 92. 62 P ATOM 677 CG ASP P 83 5. 194-7. 859-2. 725 1. 00 93. 64 P ATOM 678 OD1 ASP P 83 4. 879-6. 727-3. 165 1. 00 93. 72 P ATOM 679 OD2 ASP P 83 6. 155-8. 057-1. 953 1. 00 93. 91 P ATOM 680 C ASP P 83 3. 695-11. 376-2. 687 1. 00 91. 97 P ATOM 681 O ASP P 83 3. 141-11. 976-1. 781 1. 00 92. 33 P ATOM 682 N ILE P 84 3. 442-11. 608-3. 971 1. 00 92. 97 P ATOM 683 CA ILE P 84 2. 480-12. 625-4. 384 1. 00 93. 70 P ATOM 684 CB ILE P 84 2. 678-12. 995-5. 878 1. 00 94. 09 P ATOM 685 CG2 ILE P 84 2. 109-14. 374-6. 170 1. 00 93. 57 P ATOM 686 CG1 ILE P 84 2. 024-11. 923-6. 753 1. 00 93. 17 P ATOM 687 CD1 ILE P 84 1. 943-12. 298-8. 220 1. 00 94. 48 P ATOM 688 C ILE P 84 2. 604-13. 875-3. 500 1. 00 94. 28 P ATOM 689 O ILE P 84 1. 667-14. 221-2. 773 1. 00 94. 11 P ATOM 690 N LEU P 85 3. 758-14. 540-3. 554 1. 00 94. 44 P ATOM 691 CA LEU P 85 3. 999-15. 731-2. 739 1. 00 94. 92 P ATOM 692 CB LEU P 85 5. 489-16. 095-2. 749 1. 00 94. 20 P ATOM 693 CG LEU P 85 5. 904-17. 555-2. 975 1. 00 93. 86 P ATOM 694 CD1 LEU P 85 7. 413-17. 669-2. 808 1. 00 93. 51 P ATOM 695 CD2 LEU P 85 5. 194-18. 473-2. 005 1. 00 93. 32 P ATOM 696 C LEU P 85 3. 554-15. 462-1. 295 1. 00 95. 63 P ATOM 697 O LEU P 85 2. 937-16. 311-0. 661 1. 00 95. 42 P ATOM 698 N GLU P 86 3. 877-14. 273-0. 789 1. 00 96. 64 P ATOM 699 CA GLU P 86 3. 519-13. 854 0. 565 1. 00 97. 41 P ATOM 700 CB GLU P 86 4. 264-12. 569 0. 930 1. 00 98. 20 P ATOM 701 CG GLU P 86 3. 504-11. 655 1. 914 1. 00 99. 63 P ATOM 702 CD GLU P 86 3. 713-10. 155 1. 630 1. 00100. 89 P ATOM 703 OE1 GLU P 86 4. 856-9. 651 1. 783 1. 00 99. 41 P ATOM 704 OE2 GLU P 86 2. 726-9. 482 1. 242 1. 00101. 43 P ATOM 705 C GLU P 86 2. 022-13. 597 0. 674 1. 00 98. 40 P ATOM 706 O GLU P 86 1. 340-14. 182 1. 515 1. 00 99. 62 P ATOM 707 N THR P 87 1. 518-12. 711-0. 180 1. 00 98. 85 P ATOM 708 CA THR P 87 0 107-12. 355-0. 184 1. 00 99. 38 P ATOM 709 CB THR P 87-0. 169-11. 229-1-205 1. 00 99. 00 P ATOM 710 OG1 THR P 87 0. 795-10. 179-1. 031 1. 00 99. 08 P ATOM 711 CG2 THR P 87-1. 568-10. 654-1. 001 1. 00 98. 02 P ATOM 712 C THR P 87-0. 726-13. 578-0. 524 1. 00 99. 84 P ATOM 713 0 THR P 87-1. 917-13. 476-0. 799 1. 00100. 33 P ATOM 714 N LEU P 88-0. 083-14. 738-0. 486 1. 00100. 34 P ATOM 715 CA LEU P 88-0. 735-15. 998-0. 792 1. 00101. 80 P ATOM 716 CB LEU P 88 0. 204-16. 857-1. 654 1. 00101. 32 P ATOM 717 CG LEU P 88-0. 366-17. 972-2. 540 1. 00 99. 32 P ATOM 718 CD1 LEU P 88-1. 367-17. 404-3. 532 1. 00 98. 10 P ATOM 719 CD2 LEU P 88 0. 767-18. 648-3. 276 1. 00 98. 84 P ATOM 720 C LEU P 88-1. 104-16. 730 0. 498 1. 00103. 30 P ATOM 721 0 LEU P 88-2. 242-17. 166 0. 673 1. 00102. 71 P ATOM 722 N LYS P 89-0. 135-16. 863 1. 400 1. 00106. 54 P ATOM 723 CA LYS P 89-0. 349-17. 540 2. 684 1. 00109. 14 P ATOM 724 CB LYS P 89 0. 981-17. 685 3. 440 1. 00107. 32 P ATOM 725 CG LYS P 89 1. 934-18. 741 2. 877 1. 00106. 02 P ATOM 726 CD LYS P 89 2. 245-18. 533 1. 398 1. 00103. 64 P ATOM 727 CE LYS P 89 3. 369-19. 436 0. 937 1. 00102. 19 P ATOM 728 NZ LYS P 89 4. 632-19. 152 1. 672 1. 00101. 73 P ATOM 729 C LYS P 89-1. 340-16. 743 3. 536 1. 00111. 90 P ATOM 730 0 LYS P 89-2. 279-17. 300 4. 112 1. 00110. 97 P ATOM 731 N ARG P 90-1. 122-15. 432 3. 592 1. 00115. 07 P ATOM 732 CA ARG P 90-1. 972-14. 527 4. 351 1. 00118. 24 P ATOM 733 CB ARG P 90-1. 551-13. 088 4. 085 1. 00120. 53 P ATOM 734 CG ARG P 90-0. 135-12. 785 4. 512 1. 00124. 49 P ATOM 735 CD ARG P 90 0. 230-11. 351 4. 185 1. 00128. 16 P ATOM 736 NE ARG P 90-0. 837-10. 432 4. 565 1. 00131. 43 P ATOM 737 CZ ARG P 90-0. 704-9. 110 4. 595 1. 00133. 37 P ATOM 738 NH1 ARG P 90 0. 458-8. 553 4. 269 1. 00134. 19 P ATOM 739 NH2 ARG P 90-1. 733-8. 346 4. 946 1. 00134. 63 P ATOM 740 C ARG P 90-3. 452-14. 698 4. 028 1. 00119. 32 P ATOM 741 O ARG P 90-4. 315-14. 294 4. 802 1. 00120. 23 P ATOM 742 N ARG P 91-3. 748-15. 282 2. 875 1. 00120. 78 P ATOM 743 CA ARG P 91-5. 133-15. 514 2. 486 1. 00122. 05 P ATOM 744 CB ARG P 91-5. 317-15. 354 0. 963 1. 00122. 57 P ATOM 745 CG ARG P 91-5. 149-13. 933 0. 423 1. 00122. 16 P ATOM 746 CD ARG P 91-5. 642-13. 860-1. 027 1. 00121. 91 P ATOM 747 NE ARG P 91-5. 519-12. 530-1. 625 1. 00121. 50 P ATOM 748 CZ ARG P 91-6. 035-12. 189-2. 805 1. 00120. 94 P ATOM 749 NH1 ARG P 91-6. 710-13. 079-3. 515 1. 00121. 36 P ATOM 750 NH2 ARG P 91-5. 878-10. 961-3. 278 1. 00120. 32 P ATOM 751 C ARG P 91-5. 530-16. 932 2. 920 1. 00122. 54 P ATOM 752 O ARG P 91-6. 527-17. 062 3. 666 1. 00122. 50 P ATOM 753 OXT ARG P 91-4. 839-17. 896 2. 512 1. 00122. 95 P ATOM 754 C GLY Q 2-19. 446-18. 258-12. 479 1. 00 99. 27 Q ATOM 755 O GLY Q 2-19. 600-19. 128-13. 335 1. 00100. 08 Q ATOM 756 N GLY Q 2-17. 035-18. 371-12. 988 1. 00 97. 41 Q ATOM 757 CA GLY Q 2-18. 106-17. 576-12. 329 1. 00 98. 90 Q ATOM 758 N ARG Q 3-20. 416-17. 859-11. 659 1. 00 99. 29 Q ATOM 759 CA ARG Q 3-21. 759-18. 440-11. 696 1. 00 99. 68 Q ATOM 760 CB ARG Q 3-22. 620-17. 868-10. 551 1. 00102. 46 Q ATOM 761 CG ARG Q 3-22. 219-18. 311-9. 154 1. 00106. 04 Q ATOM 762 CD ARG Q 3-23. 304-17. 954-8. 160 1. 00109. 66 Q ATOM 763 NE ARG Q 3-22. 993-18. 421-6. 811 1. 00114. 42 Q ATOM 764 CZ ARG Q 3-23. 762-18. 205-5. 745 1. 00116. 74 Q ATOM 765 NH1 ARG Q 3-24. 898-17. 526-5. 869 1. 00117. 55 Q ATOM 766 NH2 ARG Q 3-23. 396-18. 662-4. 548 1. 00117. 91 Q ATOM 767 C ARG Q 3-22. 503-18. 240-13. 026 1. 00 96. 78 Q ATOM 768 O ARG Q 3-23. 547-18. 848-13. 254 1. 00 96. 91 Q ATOM 769 N LYS Q 4-21. 973-17. 390-13. 892 1. 00 94. 30 Q ATOM 770 CA LYS Q 4-22. 617-17. 114-15. 164 1. 00 92. 00 Q ATOM 771 CB LYS Q 4-23. 497-15. 876-14. 997 1. 00 91. 48 Q ATOM 772 CG LYS Q 4-24. 495-15. 620-16. 105 1. 00 92. 53 Q ATOM 773 CD LYS Q 4-25. 853-16. 218-15. 801 1. 00 93. 26 Q ATOM 774 CE LYS Q 4-26. 834-15. 870-16. 915 1. 00 95. 55 Q ATOM 775 NZ LYS Q 4-28. 168-16. 508-16. 742 1. 00 97. 38 Q ATOM 776 C LYS Q 4-21. 534-16. 877-16. 212 1. 00 90. 53 Q ATOM 777 O LYS Q 4-20. 457-16. 391-15. 880 1. 00 90. 39 Q ATOM 778 N LYS Q 5-21. 809-17. 222-17. 467 1. 00 88. 70 Q ATOM 779 CA LYS Q 5-20. 822-17. 018-18. 533 1. 00 87. 64 Q ATOM 780 CB LYS Q 5-21. 109-17. 932-19. 728 1. 00 89. 49 Q ATOM 781 CG LYS Q 5-20. 111-17. 792-20. 881 1. 00 90. 66 Q ATOM 782 CD LYS Q 5-20. 483-18. 706-22. 055 1. 00 92. 03 Q ATOM 783 CE LYS Q 5-19. 457-18. 646-23. 193 1. 00 92. 20 Q ATOM 784 NZ LYS Q 5-19. 421-17. 320-23. 888 1. 00 92. 12 Q ATOM 785 C LYS Q 5-20. 858-15. 572-19. 006 1. 00 85. 14 Q ATOM 786 0 LYS Q 5-21. 936-15. 002-19. 144 1. 00 85. 24 Q ATOM 787 N ILE Q 6-19. 690-14. 982-19. 255 1. 00 82. 50 Q ATOM 788 CA ILE Q 6-19. 632-13. 600-19. 707 1. 00 80. 40 Q ATOM 789 CB ILE Q 6-19. 062-12. 654-18. 614 1. 00 79. 33 Q ATOM 790 CG2 ILE Q 6-19. 928-12. 701-17. 384 1. 00 79. 43 Q ATOM 791 CG1 ILE Q 6-17. 628-13. 039-18. 274 1. 00 77. 84 Q ATOM 792 CD1 ILE Q 6-16. 895-11. 980-17. 500 1. 00 76. 18 Q ATOM 793 C ILE Q 6-18. 808-13. 389-20. 968 1. 00 79. 75 Q ATOM 794 O ILE Q 6-17. 691-13. 863-21. 084 1. 00 79. 19 Q ATOM 795 N GLN Q 7-19. 374-12. 656-21. 914 1. 00 79. 36 Q ATOM 796 CA GLN Q 7-18. 697-12. 344-23. 163 1. 00 78. 84 Q ATOM 797 CB GLN Q 7-19. 691-11. 761-24. 168 1. 00 82. 48 Q ATOM 798 CG GLN Q 7-20. 904-12. 626-24. 392 1. 00 86. 43 Q ATOM 799 CD GLN Q 7-20. 495-14. 010-24. 812 1. 00 89. 08 Q ATOM 800 OE1 GLN Q 7-19. 887-14. 189-25. 881 1. 00 90. 18 Q ATOM 801 NE2 GLN Q 7-20. 807-15. 008-23. 971 1. 00 88. 90 Q ATOM 802 C GLN Q 7-17. 615-11. 311-22. 907 1. 00 77. 23 Q ATOM 803 0 GLN Q 7-17. 871-10. 271-22. 320 1. 00 77. 28 Q ATOM 804 N ILE Q 8-16. 406-11. 588-23. 353 1. 00 75. 77 Q ATOM 805 CA ILE Q 8-15. 342-10. 638-23. 167 1. 00 75. 43 Q ATOM 806 CB ILE Q 8-13. 986-11. 266-23. 506 1. 00 75. 47 Q ATOM 807 CG2 ILE Q 8-12. 946-10. 197-23. 617 1. 00 78. 96 Q ATOM 808 CG1 ILE Q 8-13. 537-12. 213-22. 387 1. 00 78. 40 Q ATOM 809 CD1 ILE Q 8-14. 492-13. 355-22. 094 1. 00 80. 00 Q ATOM 810 C ILE Q 8-15. 594-9. 412-24. 045 1. 00 75. 71 Q ATOM 811 O ILE Q 8-15. 523-9. 475-25. 266 1. 00 75. 84 Q ATOM 812 N SER Q 9-15. 910-8. 297-23. 391 1. 00 75. 64 Q ATOM 813 CA SER Q 9-16. 175-7. 006-24. 027 1. 00 73. 67 Q ATOM 814 CB SER Q 9-17. 404-7. 083-24. 920 1. 00 73. 49 Q ATOM 815 OG SER Q 9-18. 505-7. 593-24. 199 1. 00 75. 71 Q ATOM 816 C SER Q 9-16. 409-5. 989-22. 914 1. 00 72. 94 Q ATOM 817 O SER Q 9-17. 128-6. 267-21. 947 1. 00 71. 53 Q ATOM 818 N ARG Q 10-15. 788-4. 818-23. 051 1. 00 72. 66 Q ATOM 819 CA ARG Q 10-15. 888-3. 731-22. 057 1. 00 70. 46 Q ATOM 820 CB ARG Q 10-15. 878-2. 355-22. 742 1. 00 69. 87 Q ATOM 821 CG ARG Q 10-15. 490-1. 205-21. 844 1. 00 69. 43 Q ATOM 822 CD ARG Q 10-15. 876 0. 135-22. 456 1. 00 71. 36 Q ATOM 823 NE ARG Q 10-15. 232 1. 286-21. 802 1. 00 74. 45 Q ATOM 824 CZ ARG Q 10-15. 419 1. 669-20. 533 1. 00 73. 25 Q ATOM 825 NH1 ARG Q 10-16. 249 0. 997-19. 740 1. 00 73. 16 Q ATOM 826 NH2 ARG Q 10-14. 755 2. 721-20. 046 1. 00 70. 62 Q ATOM 827 C ARG Q 10-17. 108-3. 794-21. 148 1. 00 68. 20 Q ATOM 828 O ARG Q 10-18. 212-3. 442-21. 544 1. 00 68. 35 Q ATOM 829 N ILE Q 11-16. 902-4. 260-19. 928 1. 00 66. 69 Q ATOM 830 CA ILE Q 11-17. 982-4. 309-18. 951 1. 00 66. 17 Q ATOM 831 CB ILE Q 11-17. 435-4. 716-17. 559 1. 00 63. 57 Q ATOM 832 CG2 ILE Q 11-18. 510-4. 576-16. 515 1. 00 63. 08 Q ATOM 833 CG1 ILE Q 11-16. 904-6. 146-17. 602 1. 00 61. 94 Q ATOM 834 CD1 ILE Q 11-16. 140-6. 545-16. 371 1. 00 59. 66 Q ATOM 835 C ILE Q 11-18. 518-2. 872-18. 863 1. 00 66. 85 Q ATOM 836 O ILE Q 11-17. 722-1. 934-18. 696 1. 00 67. 29 Q ATOM 837 N LEU Q 12-19. 838-2. 696-18. 979 1. 00 66. 94 Q ATOM 838 CA LEU Q 12-20. 441-1. 355-18-922 1. 00 68. 25 Q ATOM 839 CB LEU Q 12-21. 791-1. 366-19. 621 1. 00 66. 71 Q ATOM 840 CG LEU Q 12-21. 685-1. 621-21. 119 1. 00 66. 02 Q ATOM 841 CD1 LEU Q 12-23. 061-1. 561-21. 744 1. 00 66. 05 Q ATOM 842 CD2 LEU Q 12-20. 780-0. 585-21. 736 1. 00 65. 92 Q ATOM 843 C LEU Q 12-20. 595-0. 734-17. 529 1. 00 68. 86 Q ATOM 844 0 LEU Q 12-20. 056 0. 343-17. 262 1. 00 65 69 Q ATOM 845 N ASP Q 13-21. 342-1. 401-16. 654 1. 00 71. 34 Q ATOM 846 CA ASP Q 13-21. 533-0. 906-15. 300 1. 00 74. 81 Q ATOM 847 CB ASP Q 13-22. 267-1. 938-14. 461 1. 00 76. 03 Q ATOM 848 CG ASP Q 13-22. 150-1. 656-12. 984 1. 00 78. 84 Q ATOM 849 OD1 ASP Q 13-22. 437-0. 514-12. 572 1. 00 82. 26 Q ATOM 850 OD2 ASP Q 13-21. 764-2. 567-12. 233 1. 00 81. 14 Q ATOM 851 C ASP Q 13-20. 196-0. 577-14. 634 1. 00 75. 99 Q ATOM 852 O ASP Q 13-19. 452-1. 475-14. 261 1. 00 76. 35 Q ATOM 853 N GLN Q 14-19. 905 0. 711-14. 474 1. 00 78. 28 Q ATOM 854 CA GLN Q 14-18. 650 1. 141-13. 880 1. 00 80. 15 Q ATOM 855 CB GLN Q 14-18. 630 2. 658-13. 735 1. 00 81. 78 Q ATOM 856 CG GLN Q 14-17. 272 3. 232-13. 355 1. 00 85. 59 Q ATOM 857 CD GLN Q 14-17. 347 4. 147-12. 129 1. 00 87. 05 Q ATOM 858 OE1 GLN Q 14-17. 741 3. 718-11. 040 1. 00 87. 00 Q ATOM 859 NE2 GLN Q 14-16. 968 5. 408-12. 304 1. 00 86. 71 Q ATOM 860 C GLN Q 14-18. 384 0. 494-12. 537 1. 00 80. 50 Q ATOM 861 O GLN Q 14-17. 249 0. 418-12. 101 1. 00 79. 64 Q ATOM 862 N ARG Q 15-19. 424 0. 023-11. 872 1. 00 83. 68 Q ATOM 863 CA ARG Q 15-19. 232-0. 627-10. 577 1. 00 87. 12 Q ATOM 864 CB ARG Q 15-20. 575-0. 863-9. 874 1. 00 93. 29 Q ATOM 865 CG ARG Q 15-21. 416 0. 395-9. 599 1. 00102. 51 Q ATOM 866 CD ARG Q 15-22. 760 0. 015-8. 955 1. 00108. 11 Q ATOM 867 NE ARG Q 15-23. 590 1. 189-8. 689 1. 00114. 23 Q ATOM 868 CZ ARG Q 15-23. 266 2. 171-7. 847 1. 00117. 23 Q ATOM 869 NH1 ARG Q 15-22. 113 2. 131-7. 169 1. 00118. 89 Q ATOM 870 NH2 ARG Q 15-24. 102 3. 198-7. 676 1. 00119. 31 Q ATOM 871 C ARG Q 15-18. 561-1. 970-10. 792 1. 00 84. 64 Q ATOM 872 O ARG Q 15-17. 480-2. 234-10. 280 1. 00 83. 75 Q ATOM 873 N ASN Q 16-19. 237-2 816-11. 563 1. 00 83. 27 Q ATOM 874 CA ASN Q 16-18. 775-4. 162-11. 883 1. 00 80. 96 Q ATOM 875 CB ASN Q 16-19. 880-4. 904-12. 636 1. 00 81. 81 Q ATOM 876 CG ASN Q 16-19. 481-6. 299-13. 016 1. 00 83. 74 Q ATOM 877 OD1 ASN Q 16-18. 725-6. 496-13. 954 1. 00 85. 60 Q ATOM 878 ND2 ASN Q 16-19. 981-7. 284-12. 280 1. 00 85. 98 Q ATOM 879 C ASN Q 16-17. 483-4. 163-12. 693 1. 00 77. 95 Q ATOM 880 O ASN Q 16-16. 667-5. 076-12. 562 1. 00 77. 10 Q ATOM 881 N ARG Q 17-17. 291-3. 140-13. 521 1. 00 74. 57 Q ATOM 882 CA ARG Q 17-16. 080-3. 045-14. 318 1. 00 72. 27 Q ATOM 883 CB ARG Q 17-16. 207-1. 938-15. 360 1. 00 72. 51 Q ATOM 884 CG ARG Q 17-15. 150-2. 013-16. 440 1. 00 74. 97 Q ATOM 885 CD ARG Q 17-15. 291-0. 932-17. 482 1. 00 78. 12 Q ATOM 886 NE ARG Q 17-14. 952 0. 365-16. 917 1. 00 85. 05 Q ATOM 887 CZ ARG Q 17-15. 834 1. 337-16. 702 1. 00 87. 73 Q ATOM 888 NH1 ARG Q 17-17. 119 1. 148-17. 022 1. 00 88. 18 Q ATOM 889 NH2 ARG Q 17-15. 440 2. 488-16. 146 1. 00 88. 54 Q ATOM 890 C ARG Q 17-14. 867-2. 774-13. 431 1. 00 70. 01 Q ATOM 891 O ARG Q 17-13. 741-3. 056-13. 801 1. 00 70. 39 Q ATOM 892 N GLN Q 18-15. 109-2. 242-12. 244 1. 00 68. 61 Q ATOM 893 CA GLN Q 18-14. 051-1. 914-11. 292 1. 00 66. 11 Q ATOM 894 CB GLN Q 18-14. 445-0. 645-10. 516 1. 00 69. 86 Q ATOM 895 CG GLN Q 18-13. 585-0. 311-9. 310 1. 00 73. 20 Q ATOM 896 CD GLN Q 18-12. 160-0. 031-9. 695 1. 00 76. 60 Q ATOM 897 OE1 GLN Q 18-11. 888 0. 823-10. 550 1. 00 78. 63 Q ATOM 898 NE2 GLN Q 18-11. 230-0. 750-9. 070 1. 00 78. 61 Q ATOM 899 C GLN Q 18-13. 830-3. 069-10. 333 1. 00 63. 08 Q ATOM 900 O GLN Q 18-12. 710-3. 299-9. 881 1. 00 61. 08 Q ATOM 901 N VAL Q 19-14. 908-3. 775-10. 010 1. 00 61. 11 Q ATOM 902 CA VAL Q 19-14. 830-4. 923-9. 114 1. 00 60. 82 Q ATOM 903 CB VAL Q 19-16. 208-5. 538-8. 865 1. 00 62. 50 Q ATOM 904 CG1 VAL Q 19-16. 103-6. 645-7. 817 1. 00 64. 05 Q ATOM 905 CG2 VAL Q 19-17. 191-4. 477-8. 478 1. 00 60. 99 Q ATOM 906 C VAL Q 19-14. 001-5. 997-9. 810 1. 00 60. 41 Q ATOM 907 O VAL Q 19-13. 061-6. 545-9. 224 1. 00 58. 85 Q ATOM 908 N THR Q 20-14. 374-6. 270-11. 071 1. 00 60. 21 Q ATOM 909 CA THR Q 20-13. 730-7. 266-11. 931 1. 00 57. 88 Q ATOM 910 CB THR Q 20-14. 470-7. 438-13. 246 1. 00 56. 30 Q ATOM 911 OG1 THR Q 20-15. 759-8. 016-13. 012 1. 00 56. 54 Q ATOM 912 CG2 THR Q 20-13. 691-8. 338-14. 138 1. 00 56. 14 Q ATOM 913 C THR Q 20-12. 276-6. 946-12. 259 1. 00 57. 57 Q ATOM 914 O THR Q 20-11. 427-7. 840-12. 248 1. 00 57. 92 Q ATOM 915 N PHE Q 21-11. 977-5. 689-12. 561 1. 00 55. 28 Q ATOM 916 CA PHE Q 21-10. 590-5. 346-12. 852 1. 00 56. 41 Q ATOM 917 CB PHE Q 21-10. 426-3. 848-12. 975 1. 00 54. 61 Q ATOM 918 CG PHE Q 21-9. 013-3. 416-13. 162 1. 00 54. 84 Q ATOM 919 CD1 PHE Q 21-8. 445-3. 411-14. 424 1. 00 56. 11 Q ATOM 920 CD2 PHE Q 21-8. 255-2. 985-12. 088 1. 00 56. 01 Q ATOM 921 CE1 PHE Q 21-7. 131-2. 966-14. 623 1. 00 54. 90 Q ATOM 922 CE2 PHE Q 21-6. 951-2. 542-12. 274 1. 00 57. 48 Q ATOM 923 CZ PHE Q 21-6. 390-2. 535-13. 546 1. 00 57. 25 Q ATOM 924 C PHE Q 21-9. 674-5. 860-11. 739 1. 00 57. 33 Q ATOM 925 O PHE Q 21-8. 767-6. 650-11. 973 1. 00 58. 39 Q ATOM 926 N THR Q 22-9. 939-5. 413-10. 519 1. 00 59. 90 Q ATOM 927 CA THR Q 22-9. 167-5. 814-9. 341 1. 00 60. 45 Q ATOM 928 CB THR Q 22-9. 793-5. 227-8. 072 1. 00 58. 77 Q ATOM 929 OG1 THR Q 22-9. 637-3. 805-8. 107 1. 00 59. 36 Q ATOM 930 CG2 THR Q 22-9. 134-5. 788-6. 833 1. 00 55. 52 Q ATOM 931 C THR Q 22-9. 030-7. 337-9. 170 1. 00 60. 68 Q ATOM 932 O THR Q 22-7. 913-7. 860-9. 013 1. 00 60. 07 Q ATOM 933 N LYS Q 23-10. 152-8. 051-9. 193 1. 00 60. 64 Q ATOM 934 CA LYS Q 23-10. 094-9. 497-9. 043 1. 00 60. 27 Q ATOM 935 CB LYS Q 23-11. 464-10. 122-9. 242 1. 00 61. 16 Q ATOM 936 CG LYS Q 23-12. 383-10. 049-8. 064 1. 00 63. 80 Q ATOM 937 CD LYS Q 23-13. 645-10. 844-8. 372 1. 00 68. 23 Q ATOM 938 CE LYS Q 23-14. 654-10. 758-7. 227 1. 00 70. 61 Q ATOM 939 NZ LYS Q 23-15. 925-11. 490-7. 555 1. 00 73. 68 Q ATOM 940 C LYS Q 23-9. 126-10. 123-10. 044 1. 00 60. 21 Q ATOM 941 O LYS Q 23-8. 120-10. 729-9. 645 1. 00 61. 80 Q ATOM 942 N ARG Q 24-9. 432-9. 971-11. 335 1. 00 58. 18 Q ATOM 943 CA ARG Q 24-8. 615-10. 539-12. 395 1. 00 55. 73 Q ATOM 944 CB ARG Q 24-9. 266-10. 261-13. 731 1. 00 55. 05 Q ATOM 945 CG ARG Q 24-10. 422-11. 182-14. 011 1. 00 51. 76 Q ATOM 946 CD ARG Q 24-11. 311-10. 612-15. 087 1. 00 53. 47 Q ATOM 947 NE ARG Q 24-12. 161-11. 638-15. 694 1. 00 56. 67 Q ATOM 948 CZ ARG Q 24-11. 749-12. 536-16. 595 1. 00 55. 24 Q ATOM 949 NH1 ARG Q 24-10. 482-12. 550-17. 011 1. 00 53. 48 Q ATOM 950 NH2 ARG Q 24-12. 620-13. 413-17. 085 1. 00 51. 93 Q ATOM 951 C ARG Q 24-7. 176-10. 056-12. 391 1. 00 56. 82 Q ATOM 952 O ARG Q 24-6. 256-10. 882-12. 389 1. 00 56. 33 Q ATOM 953 N LYS Q 25-6. 970-8. 736-12. 378 1. 00 55. 81 Q ATOM 954 CA LYS Q 25-5. 611-8. 206-12. 342 1. 00 55. 39 Q ATOM 955 CB LYS Q 25-5. 585-6. 789-11. 775 1. 00 53. 02 Q ATOM 956 CG LYS Q 25-4. 174-6. 295-11. 470 1. 00 55. 06 Q ATOM 957 CD LYS Q 25-4. 104-4. 770-11. 347 1. 00 60. 38 Q ATOM 958 CE LYS Q 25-5. 022-4. 207-10. 235 1. 00 61. 48 Q ATOM 959 NZ LYS Q 25-4. 645-4. 648-8. 870 1. 00 63. 06 Q ATOM 960 C LYS Q 25-4. 780-9. 115-11. 448 1. 00 56. 14 Q ATOM 961 O LYS Q 25-3. 705-9. 598-11. 827 1. 00 54. 68 Q ATOM 962 N PHE Q 26-5. 312-9. 372-10. 259 1. 00 57. 18 Q ATOM 963 CA PHE Q 26-4. 624-10. 216-9. 313 1. 00 56. 59 Q ATOM 964 CB PHE Q 26-5. 394-10. 317-7. 995 1. 00 56. 99 Q ATOM 965 CG PHE Q 26-4. 621-11. 031-6. 921 1. 00 58. 32 Q ATOM 966 CD1 PHE Q 26-3. 408-10. 511-6. 458 1. 00 58. 11 Q ATOM 967 CD2 PHE Q 26-5. 017-12. 301-6. 491 1. 00 60. 44 Q ATOM 968 CE1 PHE Q 26-2. 588-11. 254-5. 601 1. 00 60. 77 Q ATOM 969 CE2 PHE Q 26-4. 209-13. 059-5. 632 1. 00 61. 41 Q ATOM 970 CZ PHE Q 26-2. 988-12. 537-5. 187 1. 00 61. 31 Q ATOM 971 C PHE Q 26-4. 380-11. 608-9. 879 1. 00 55. 86 Q ATOM 972 0 PHE Q 26-3. 240-12. 056-9. 970 1. 00 55. 46 Q ATOM 973 N GLY Q 27-5. 438-12. 300-10. 262 1. 00 55. 68 Q ATOM 974 CA GLY Q 27-5. 242-13. 637-10. 797 1. 00 60. 11 Q ATOM 975 C GLY Q 27-4. 193-13. 713-11. 910 1. 00 61. 65 Q ATOM 976 O GLY Q 27-3. 412-14. 674-11. 996 1. 00 61. 10 Q ATOM 977 N LEU Q 28-4. 188-12. 689-12. 763 1. 00 60. 99 Q ATOM 978 CA LEU Q 28-3. 258-12. 619-13. 868 1. 00 58. 74 Q ATOM 979 CB LEU Q 28-3. 541-11. 378-14. 701 1. 00 57. 39 Q ATOM 980 CG LEU Q 28-2. 694-11. 148-15. 938 1. 00 55. 91 Q ATOM 981 CD1 LEU Q 28-3. 191-12. 005-17. 109 1. 00 54. 99 Q ATOM 982 CD2 LEU Q 28-2. 788-9. 674-16. 272 1. 00 58. 20 Q ATOM 983 C LEU Q 28-1. 858-12. 553-13. 295 1. 00 59. 05 Q ATOM 984 O LEU Q 28-0. 974-13. 273-13 720 1. 00 60. 82 Q ATOM 985 N MET Q 29-1. 650-11. 688-12. 316 1. 00 59. 44 Q ATOM 986 CA MET Q 29-0. 329-11. 570-11. 711 1. 00 58. 78 Q ATOM 987 CB MET Q 29-0. 283-10. 422-10. 706 1. 00 56. 43 Q ATOM 988 CG MET Q 29-0. 774-9. 115-11. 230 1. 00 55. 20 Q ATOM 989 SD MET Q 29-0. 253-7. 836-10. 126 1. 00 56. 16 Q ATOM 990 CE MET Q 29 0. 682-6. 761-11. 170 1. 00 56. 73 Q ATOM 991 C MET Q 29-0. 015-12. 862-10. 973 1. 00 60. 52 Q ATOM 992 O MET Q 29 1. 149-13. 206-10. 777 1. 00 60. 47 Q ATOM 993 N LYS Q 30-1. 059-13. 563-10. 542 1. 00 62. 04 Q ATOM 994 CA LYS Q 30-0. 862-14. 810-9. 830 1. 00 63. 66 Q ATOM 995 CB LYS Q 30-2. 185-15. 321-9. 266 1. 00 64. 30 Q ATOM 996 CG LYS Q 30-2. 038-16. 557-8. 393 1. 00 65. 34 Q ATOM 997 CD LYS Q 30-3. 409-17. 053-7. 947 1. 00 67. 79 Q ATOM 998 CE LYS Q 30-3. 323-18. 395-7. 205 1. 00 67. 92 Q ATOM 999 NZ LYS Q 30-4. 692-18. 920-6. 884 1. 00 66. 44 Q ATOM 1000 C LYS Q 30-0. 305-15. 792-10. 857 1. 00 64. 11 Q ATOM 1001 O LYS Q 30 0. 791-16. 342-10. 683 1. 00 65. 07 Q ATOM 1002 N LYS Q 31-1. 042-15. 999-11. 939 1. 00 63. 11 Q ATOM 1003 CA LYS Q 31-0. 567-16. 906-12. 960 1. 00 63. 59 Q ATOM 1004 CB LYS Q 31-1. 556-16. 974-14. 116 1. 00 60. 39 Q ATOM 1005 CG LYS Q 31-2. 754-17. 823-13. 803 1. 00 57. 16 Q ATOM 1006 CD LYS Q 31-3. 390-18. 346-15. 071 1. 00 56. 79 Q ATOM 1007 CE LYS Q 31-4. 391-19. 424-14. 721 1. 00 58. 56 Q ATOM 1008 NZ LYS Q 31-3. 819-20. 358-13. 723 1. 00 57. 90 Q ATOM 1009 C LYS Q 31 0. 822-16. 516-13. 461 1. 00 65. 79 Q ATOM 1010 O LYS Q 31 1. 650-17. 378-13. 724 1. 00 64. 86 Q ATOM 1011 N ALA Q 32 1. 086-15. 221-13. 582 1. 00 69. 54 Q ATOM 1012 CA ALA Q 32 2. 389-14. 775-14. 052 1. 00 73. 24 Q ATOM 1013 CB ALA Q 32 2. 485-13. 247-14. 027 1. 00 73. 80 Q ATOM 1014 C ALA Q 32 3. 402-15. 380-13. 104 1. 00 75. 40 Q ATOM 1015 O ALA Q 32 4. 313-16. 087-13. 520 1. 00 77. 27 Q ATOM 1016 N TYR Q 33 3. 234-15. 101-11. 820 1. 00 77. 53 Q ATOM 1017 CA TYR Q 33 4. 128-15. 630-10. 799 1. 00 80. 44 Q ATOM 1018 CB TYR Q 33 3. 575-15. 272-9. 425 1. 00 82. 19 Q ATOM 1019 CG TYR Q 33 3. 734-16. 356-8. 392 1. 00 83. 24 Q ATOM 1020 CD1 TYR Q 33 4. 928-16. 507-7. 695 1. 00 84. 23 Q ATOM 1021 CE1 TYR Q 33 5. 082-17. 517-6. 746 1. 00 85. 44 Q ATOM 1022 CD2 TYR Q 33 2. 684-17. 243-8. 120 1. 00 82. 66 Q ATOM 1023 CE2 TYR Q 33 2. 820-18. 250-7. 180 1. 00 83. 57 Q ATOM 1024 CZ TYR Q 33 4. 023-18. 388-6. 490 1. 00 84. 92 Q ATOM 1025 OH TYR Q 33 4. 176-19. 390-5. 550 1. 00 84. 99 Q ATOM 1026 C TYR Q 33 4. 277-17. 150-10. 927 1. 00 80. 83 Q ATOM 1027 O TYR Q 33 5. 383-17. 689-10. 859 1. 00 78. 27 Q ATOM 1028 N GLU Q 34 3. 157-17. 838-11. 096 1. 00 82. 51 Q ATOM 1029 CA GLU Q 34 3. 213-19. 279-11. 239 1. 00 84. 73 Q ATOM 1030 CB GLU Q 34 1. 816-19. 873-11. 469 1. 00 87. 52 Q ATOM 1031 CG GLU Q 34 0. 862-19. 693-10. 285 1. 00 91. 83 Q ATOM 1032 CD GLU Q 34-0. 314-20. 670-10. 339 1. 00 94. 77 Q ATOM 1033 OE1 GLU Q 34-0. 951-20. 799-11. 413 1. 00 96. 71 Q ATOM 1034 OE2 GLU Q 34-0. 604-21. 313-9. 306 1. 00 95. 80 Q ATOM 1035 C GLU Q 34 4. 127-19. 611-12. 411 1. 00 84. 08 Q ATOM 1036 O GLU Q 34 5. 151-20. 273-12. 235 1. 00 85. 12 Q ATOM 1037 N LEU Q 35 3. 771-19. 150-13. 604 1. 00 83. 58 Q ATOM 1038 CA LEU Q 35 4. 590-19. 425-14. 781 1. 00 82. 63 Q ATOM 1039 CB LEU Q 35 4. 108-18. 591-15. 979 1. 00 83. 63 Q ATOM 1040 CG LEU Q 35 4. 835-18. 771-17. 314 1. 00 84. 85 Q ATOM 1041 CD1 LEU Q 35 4. 814-20. 244-17. 708 1. 00 85. 79 Q ATOM 1042 CD2 LEU Q 35 4. 178-17. 922-18. 384 1. 00 84. 32 Q ATOM 1043 C LEU Q 35 6. 044-19. 100-14. 464 1. 00 80. 98 Q ATOM 1044 O LEU Q 35 6. 955-19. 843-14. 813 1. 00 80. 02 Q ATOM 1045 N SER Q 36 6. 250-17. 991-13. 770 1. 00 79. 64 Q ATOM 1046 CA SER Q 36 7. 590-17. 563-13. 407 1. 00 79. 89 Q ATOM 1047 CB SER Q 36 7. 519-16. 319-12. 542 1. 00 79. 21 Q ATOM 1048 OG SER Q 36 8. 802-16. 018-12. 040 1. 00 79. 15 Q ATOM 1049 C SER Q 36 8. 398-18. 619-12. 663 1. 00 80. 62 Q ATOM 1050 O SER Q 36 9. 542-18. 916-13. 020 1. 00 81. 03 Q ATOM 1051 N VAL Q 37 7. 793-19. 178-11. 616 1. 00 80. 52 Q ATOM 1052 CA VAL Q 37 8. 436-20. 198-10. 793 1. 00 77. 04 Q ATOM 1053 CB VAL Q 37 7. 776-20. 269-9. 411 1. 00 77. 25 Q ATOM 1054 CG1 VAL Q 37 8. 455-21. 328-8. 581 1. 00 78. 04 Q ATOM 1055 CG2 VAL Q 37 7. 857-18. 907-8. 722 1. 00 74. 91 Q ATOM 1056 C VAL Q 37 8. 390-21. 573-11. 450 1. 00 74. 70 Q ATOM 1057 0 VAL Q 37 9. 414-22. 218-11. 610 1. 00 72. 70 Q ATOM 1058 N LEU Q 38 7. 207-22. 014-11. 842 1. 00 72. 90 Q ATOM 1059 CA LEU Q 38 7. 076-23. 307-12. 494 1. 00 74. 42 Q ATOM 1060 CB LEU Q 38 5. 703-23. 435-13. 163 1. 00 73. 79 Q ATOM 1061 CG LEU Q 38 4. 464-23. 761-12. 327 1. 00 74. 37 Q ATOM 1062 CD1 LEU Q 38 3. 197-23. 545-13. 153 1. 00 71. 68 Q ATOM 1063 CD2 LEU Q 38 4. 559-25. 204-11. 837 1. 00 74. 40 Q ATOM 1064 C LEU Q 38 8. 147-23. 557-13. 551 1. 00 75. 74 Q ATOM 1065 O LEU Q 38 8. 911-24. 521-13. 469 1. 00 76. 76 Q ATOM 1066 N CYS Q 39 8. 197-22. 675-14. 542 1. 00 76. 55 Q ATOM 1067 CA CYS Q 39 9. 131-22. 812-15. 650 1. 00 76. 74 Q ATOM 1068 CB CYS Q 39 8. 382-22. 503-16. 950 1. 00 74. 50 Q ATOM 1069 SG CYS Q 39 6. 798-23. 379-17. 095 1. 00 74. 26 Q ATOM 1070 C CYS Q 39 10. 418-21. 963-15. 536 1. 00 78. 47 Q ATOM 1071 O CYS Q 39 11. 130-21. 754-16. 521 1. 00 80. 24 Q ATOM 1072 N ASP Q 40 10. 717-21. 479-14. 338 1. 00 78. 07 Q ATOM 1073 CA ASP Q 40 11. 922-20. 700-14. 129 1. 00 78. 23 Q ATOM 1074 CB ASP Q 40 13. 104-21. 649-13. 944 1. 00 81. 96 Q ATOM 1075 CG ASP Q 40 14. 462-20. 932-13. 998 1. 00 86. 36 Q ATOM 1076 OD1 ASP Q 40 14. 664-19. 937-13. 244 1. 00 86. 87 Q ATOM 1077 OD2 ASP Q 40 15. 328-21. 383-14. 802 1. 00 88. 40 Q ATOM 1078 C ASP Q 40 12. 202-19. 723-15. 257 1. 00 77. 14 Q ATOM 1079 O ASP Q 40 13. 091-19. 925-16. 067 1. 00 76. 82 Q ATOM 1080 N CYS Q 41 11. 424-18. 650-15. 300 1. 00 76. 57 Q ATOM 1081 CA CYS Q 41 11. 578-17. 608-16. 312 1. 00 74. 05 Q ATOM 1082 CB CYS Q 41 10. 691-17. 907-17. 521 1. 00 73. 30 Q ATOM 1083 SG CYS Q 41 8. 953-18. 051-17. 155 1. 00 75. 22 Q ATOM 1084 C CYS Q 41 11. 218-16. 239-15. 731 1. 00 71. 79 Q ATOM 1085 O CYS Q 41 10. 448-16. 144-14. 778 1. 00 69. 65 Q ATOM 1086 N GLU Q 42 11. 798-15. 183-16. 297 1. 00 71. 21 Q ATOM 1087 CA GLU Q 42 11. 532-13. 814-15. 840 1. 00 71. 99 Q ATOM 1088 CB GLU Q 42 12. 750-12. 917-16. 074 1. 00 74. 27 Q ATOM 1089 CG GLU Q 42 14. 034-13. 457-15. 514 1. 00 77. 26 Q ATOM 1090 CD GLU Q 42 15. 164-12. 451-15. 636 1. 00 81. 29 Q ATOM 1091 OE1 GLU Q 42 15. 037-11. 342-15. 043 1. 00 83. 17 Q ATOM 1092 OE2 GLU Q 42 16. 170-12. 766-16. 326 1. 00 80. 69 Q ATOM 1093 C GLU Q 42 10. 339-13. 217-16. 590 1. 00 69. 73 Q ATOM 1094 O GLU Q 42 10. 199-13. 437-17. 801 1. 00 71. 08 Q ATOM 1095 N ILE Q 43 9. 488-12. 476-15. 875 1. 00 65. 80 Q ATOM 1096 CA ILE Q 43 8. 330-11. 856-16. 487 1. 00 61. 70 Q ATOM 1097 CB ILE Q 43 7. 055-12. 632-16. 179 1. 00 61. 89 Q ATOM 1098 CG2 ILE Q 43 5. 900-12. 123-17. 028 1. 00 63. 08 Q ATOM 1099 CG1 ILE Q 43 7. 266-14. 107-16. 487 1. 00 64. 40 Q ATOM 1100 CD1 ILE Q 43 6. 046-14. 979-16. 176 1. 00 63. 65 Q ATOM 1101 C ILE Q 43 8. 140-10. 450-15. 967 1. 00 60. 44 Q ATOM 1102 O ILE Q 43 8. 541-10. 123-14. 865 1. 00 60. 66 Q ATOM 1103 N ALA Q 44 7. 536-9. 609-16. 787 1. 00 58. 66 Q ATOM 1104 CA ALA Q 44 7. 225-8. 242-16. 410 1. 00 55. 14 Q ATOM 1105 CB ALA Q 44 8. 126-7. 261-17. 093 1. 00 53. 96 Q ATOM 1106 C ALA Q 44 5. 806-8. 102-16. 910 1. 00 54. 70 Q ATOM 1107 O ALA Q 44 5. 452-8. 580-17. 983 1. 00 55. 17 Q ATOM 1108 N LEU Q 45 4. 972-7. 467-16. 115 1. 00 54. 27 Q ATOM 1109 CA LEU Q 45 3. 587-7. 305-16. 495 1. 00 53. 63 Q ATOM 1110 CB LEU Q 45 2. 744-8. 283-15. 676 1. 00 50. 68 Q ATOM 1111 CG LEU Q 45 1. 242-8. 156-15. 754 1. 00 51. 49 Q ATOM 1112 CD1 LEU Q 45 0. 821-8. 064-17. 193 1. 00 53. 67 Q ATOM 1113 CD2 LEU Q 45 0. 611-9. 342-15. 100 1. 00 50. 66 Q ATOM 1114 C LEU Q 45 3. 220-5. 843-16. 238 1. 00 53. 23 Q ATOM 1115 0 LEU Q 45 3. 276-5. 384-15. 122 1. 00 57. 18 Q ATOM 1116 N ILE Q 46 2. 884-5. 113-17. 286 1. 00 52. 27 Q ATOM 1117 CA ILE Q 46 2. 543-3. 706-17. 179 1. 00 51. 29 Q ATOM 1118 CB ILE Q 46 3. 365-2. 891-18. 201 1. 00 49. 85 Q ATOM 1119 CG2 ILE Q 46 2. 735-1. 521-18. 446 1. 00 50. 97 Q ATOM 1120 CG1 ILE Q 46 4. 800-2. 779-17. 719 1. 00 47. 11 Q ATOM 1121 CD1 ILE Q 46 5. 668-2. 016-18. 651 1. 00 42. 46 Q ATOM 1122 C ILE Q 46 1. 056-3. 485-17. 451 1. 00 51. 75 Q ATOM 1123 O ILE Q 46 0. 528-3. 947-18. 458 1. 00 53. 82 Q ATOM 1124 N ILE Q 47 0. 370-2. 777-16. 562 1. 00 51. 61 Q ATOM 1125 CA ILE Q 47-1. 046-2. 516-16. 767 1. 00 50. 20 Q ATOM 1126 CB ILE Q 47-1. 928-3. 285-15. 782 1. 00 44. 70 Q ATOM 1127 CG2 ILE Q 47-3. 331-3. 290-16. 280 1. 00 42. 48 Q ATOM 1128 CG1 ILE Q 47-1. 398-4. 705-15. 589 1. 00 41. 44 Q ATOM 1129 CD1 ILE Q 47-2. 412-5. 679-14. 994 1. 00 37. 79 Q ATOM 1130 C ILE Q 47-1. 337-1. 033-16. 587 1. 00 54. 06 Q ATOM 1131 0 ILE Q 47-0. 756-0. 373-15. 707 1. 00 54. 19 Q ATOM 1132 N PHE Q 48-2. 238-0. 530-17. 433 1. 00 56. 14 Q ATOM 1133 CA PHE Q 48-2. 689 0. 860-17. 432 1. 00 57. 99 Q ATOM 1134 CB PHE Q 48-2. 111 1. 618-18. 627 1. 00 60. 09 Q ATOM 1135 CG PHE Q 48-0. 753 2. 199-18. 389 1. 00 61. 08 Q ATOM 1136 CD1 PHE Q 48 0. 180 2. 241-19. 414 1. 00 61. 36 Q ATOM 1137 CD2 PHE Q 48-0. 428 2. 759-17. 163 1. 00 62. 21 Q ATOM 1138 CE1 PHE Q 48 1. 423 2. 834-19. 229 1. 00 64. 73 Q ATOM 1139 CE2 PHE Q 48 0. 816 3. 363-16. 957 1. 00 64. 28 Q ATOM 1140 CZ PHE Q 48 1. 748 3. 402-17. 995 1. 00 64. 58 Q ATOM 1141 C PHE Q 48-4. 207 0. 839-17. 566 1. 00 59. 71 Q ATOM 1142 O PHE Q 48-4. 738 0. 146-18. 440 1. 00 57. 91 Q ATOM 1143 N ASN Q 49-4. 907 1. 584-16. 708 1. 00 62. 48 Q ATOM 1144 CA ASN Q 49-6. 368 1. 644-16. 778 1. 00 64. 62 Q ATOM 1145 CB ASN Q 49-7. 012 1. 581-15. 391 1. 00 65. 09 Q ATOM 1146 CG ASN Q 49-6. 597 2. 742-14. 491 1. 00 66. 19 Q ATOM 1147 OD1 ASN Q 49-6. 263 3. 829-14. 964 1. 00 64. 05 Q ATOM 1148 ND2 ASN Q 49-6. 641 2. 515-13. 181 1. 00 66. 05 Q ATOM 1149 C ASN Q 49-6. 799 2. 934-17. 445 1. 00 66. 00 Q ATOM 1150 O ASN Q 49-5. 958 3. 751-17. 829 1. 00 65. 21 Q ATOM 1151 N SER Q 50-8. 115 3. 102-17. 574 1. 00 67. 96 Q ATOM 1152 CA SER Q 50-8. 711 4. 292-18. 182 1. 00 70. 77 Q ATOM 1153 CB SER Q 50-10. 213 4. 308-17. 898 1. 00 73. 11 Q ATOM 1154 OG SER Q 50-10. 833 3. 114-18. 351 1. 00 76. 59 Q ATOM 1155 C SER Q 50-8. 082 5. 577-17. 641 1. 00 71. 76 Q ATOM 1156 O SER Q 50-7. 576 6. 412-18. 392 1. 00 71. 73 Q ATOM 1157 N ALA Q 51-8. 124 5. 734-16. 326 1. 00 72. 53 Q ATOM 1158 CA ALA Q 51-7. 554 6. 908-15. 698 1. 00 73. 57 Q ATOM 1159 CB ALA Q 51-8. 047 7. 020-14. 260 1. 00 73. 90 Q ATOM 1160 C ALA Q 51-6. 038 6. 871-15. 728 1. 00 74. 35 Q ATOM 1161 0 ALA Q 51-5. 392 7. 597-14. 982 1. 00 74. 96 Q ATOM 1162 N ASN Q 52-5. 477 6. 013-16. 577 1. 00 74. 57 Q ATOM 1163 CA ASN Q 52-4. 025 5. 879-16. 724 1. 00 76. 01 Q ATOM 1164 CB ASN Q 52-3. 424 7. 142-17. 346 1. 00 75. 93 Q ATOM 1165 CG ASN Q 52-3. 626 7. 213-18. 851 1. 00 76. 92 Q ATOM 1166 OD1 ASN Q 52-4. 717 6. 960-19. 374 1. 00 77. 17 Q ATOM 1167 ND2 ASN Q 52-2. 569 7. 580-19. 558 1. 00 76. 73 Q ATOM 1168 C ASN Q 52-3. 254 5. 576-15. 454 1. 00 77. 32 Q ATOM 1169 O ASN Q 52-2. 119 6. 028-15. 291 1. 00 75. 38 Q ATOM 1170 N ARG Q 53-3. 859 4. 814-14. 550 1. 00 81. 56 Q ATOM 1171 CA ARG Q 53-3. 186 4. 449-13. 302 1. 00 84. 82 Q ATOM 1172 CB ARG Q 53-4. 219 4. 080-12. 229 1. 00 88. 18 Q ATOM 1173 CG ARG Q 53-3. 772 4. 375-10. 803 1. 00 92. 02 Q ATOM 1174 CD ARG Q 53-4. 862 3. 989-9. 806 1. 00 95. 25 Q ATOM 1175 NE ARG Q 53-4. 637 4. 598-8. 500 1. 00 97. 32 Q ATOM 1176 CZ ARG Q 53-4. 699 5. 907-8. 267 1. 00 98. 35 Q ATOM 1177 NH1 ARG Q 53-4. 982 6. 756-9. 254 1. 00 99. 33 Q ATOM 1178 NH2 ARG Q 53-4. 483 6. 372-7. 045 1. 00 98. 87 Q ATOM 1179 C ARG Q 53-2. 296 3. 247-13. 614 1. 00 84. 24 Q ATOM 1180 O ARG Q 53-2. 774 2. 243-14. 144 1. 00 85. 49 Q ATOM 1181 N LEU Q 54-1. 011 3. 347-13. 302 1. 00 82. 74 Q ATOM 1182 CA LEU Q 54-0. 092 2. 265-13. 596 1. 00 81. 55 Q ATOM 1183 CB LEU Q 54 1. 312 2. 815-13. 791 1. 00 81. 48 Q ATOM 1184 CG LEU Q 54 2. 407 1. 747-13. 815 1. 00 81. 77 Q ATOM 1185 CD1 LEU Q 54 2. 152 0. 791-14. 966 1. 00 82. 99 Q ATOM 1186 CD2 LEU Q 54 3. 770 2. 394-13. 944 1. 00 80. 21 Q ATOM 1187 C LEU Q 54-0. 025 1. 160-12. 562 1. 00 82. 49 Q ATOM 1188 O LEU Q 54 0. 157 1. 420-11. 369 1. 00 82. 93 Q ATOM 1189 N PHE Q 55-0. 157-0. 079-13. 027 1. 00 82. 07 Q ATOM 1190 CA PHE Q 55-0. 058-1. 233-12. 145 1. 00 81. 48 Q ATOM 1191 CB PHE Q 55-1. 391-1. 971-12. 067 1. 00 79. 55 Q ATOM 1192 CG PHE Q 55-2. 520-1. 132-11. 591 1. 00 78. 16 Q ATOM 1193 CD1 PHE Q 55-2. 979-0. 068-12. 356 1. 00 78. 02 Q ATOM 1194 CD2 PHE Q 55-3. 158-1. 428-10. 407 1. 00 76. 88 Q ATOM 1195 CE1 PHE Q 55-4. 066 0. 695-11. 953 1. 00 77. 21 Q ATOM 1196 CE2 PHE Q 55-4. 247-0. 673-9. 992 1. 00 78. 63 Q ATOM 1197 CZ PHE Q 55-4. 703 0. 396-10. 777 1. 00 78. 20 Q ATOM 1198 C PHE Q 55 0. 994-2. 132-12. 792 1. 00 81. 85 Q ATOM 1199 O PHE Q 55 1. 016-2. 262-14. 016 1. 00 83. 81 Q ATOM 1200 N GLN Q 56 1. 864-2. 739-11. 994 1. 00 80. 30 Q ATOM 1201 CA GLN Q 56 2. 886-3. 587-12. 561 1. 00 80. 08 Q ATOM 1202 CB GLN Q 56 4. 139-2. 768-12. 820 1. 00 80. 42 Q ATOM 1203 CG GLN Q 56 4. 820-2. 312-11. 561 1. 00 83. 16 Q ATOM 1204 CD GLN Q 56 6. 183-1. 709-11. 817 1. 00 85. 09 Q ATOM 1205 OE1 GLN Q 56 6. 324-0. 756-12. 592 1. 00 84. 43 Q ATOM 1206 NE2 GLN Q 56 7. 204-2. 260-11. 156 1. 00 85. 98 Q ATOM 1207 C GLN Q 56 3. 237-4. 782-11. 699 1. 00 80. 63 Q ATOM 1208 O GLN Q 56 2. 832-4. 886-10. 562 1. 00 80. 91 Q ATOM 1209 N TYR Q 57 4. 010-5. 686-12. 272 1. 00 81. 68 Q ATOM 1210 CA TYR Q 57 4. 454-6. 894-11. 608 1. 00 81. 82 Q ATOM 1211 CB TYR Q 57 3. 507-8. 041-11. 889 1. 00 79. 43 Q ATOM 1212 CG TYR Q 57 4. 156-9. 398-11. 763 1. 00 76. 87 Q ATOM 1213 CD1 TYR Q 57 4. 331-9. 995-10. 530 1. 00 75. 30 Q ATOM 1214 CE1 TYR Q 57 4. 888-11. 256-10. 421 1. 00 75. 98 Q ATOM 1215 CD2 TYR Q 57 4. 569-10. 094-12. 892 1. 00 78. 19 Q ATOM 1216 CE2 TYR Q 57 5. 134-11. 361-12. 796 1. 00 78. 41 Q ATOM 1217 CZ TYR Q 57 5. 284-11. 942-11. 557 1. 00 77. 27 Q ATOM 1218 OH TYR Q 57 5. 776-13. 227-11. 465 1. 00 74. 47 Q ATOM 1219 C TYR Q 57 5. 805-7. 235-12. 195 1. 00 83. 93 Q ATOM 1220 O TYR Q 57 6. 181-6. 727-13. 253 1. 00 85. 99 Q ATOM 1221 N ALA Q 58 6. 533-8. 108-11. 522 1. 00 84. 63 Q ATOM 1222 CA ALA Q 58 7. 842-8. 490-12. 007 1. 00 85. 29 Q ATOM 1223 CB ALA Q 58 8. 809-7. 322-11. 858 1. 00 83. 32 Q ATOM 1224 C ALA Q 58 8. 284-9. 667-11. 159 1. 00 86. 85 Q ATOM 1225 O ALA Q 58 8. 296-9. 575-9. 929 1. 00 89. 79 Q ATOM 1226 N SER Q 59 8. 626-10. 775-11. 806 1. 00 86. 72 Q ATOM 1227 CA SER Q 59 9. 040-11. 957-11. 076 1. 00 85. 88 Q ATOM 1228 CB SER Q 59 9. 424-13. 086-12. 038 1. 00 86. 22 Q ATOM 1229 OG SER Q 59 10. 533-12. 751-12. 853 1. 00 85. 73 Q ATOM 1230 C SER Q 59 10. 181-11. 640-10. 140 1. 00 84. 86 Q ATOM 1231 O SER Q 59 10. 267-12. 205-9. 066 1. 00 86. 17 Q ATOM 1232 N THR Q 60 11. 047-10. 716-10. 524 1. 00 85. 31 Q ATOM 1233 CA THR Q 60 12. 168-10. 357-9. 658 1. 00 88. 62 Q ATOM 1234 CB THR Q 60 13. 496-10. 915-10. 172 1. 00 90. 65 Q ATOM 1235 OG1 THR Q 60 13. 723-10. 429-11. 500 1. 00 96. 30 Q ATOM 1236 CG2 THR Q 60 13. 473-12. 446-10. 189 1. 00 93. 15 Q ATOM 1237 C THR Q 60 12. 338-8. 853-9. 542 1. 00 87. 77 Q ATOM 1238 0 THR Q 60 12. 131-8. 278-8. 469 1. 00 88. 95 Q ATOM 1239 N ASP Q 61 12. 715-8. 210-10. 643 1. 00 86. 13 Q ATOM 1240 CA ASP Q 61 12. 903-6. 767-10. 626 1. 00 84. 37 Q ATOM 1241 CB ASP Q 61 14. 353-6. 445-10. 293 1. 00 84. 70 Q ATOM 1242 CG ASP Q 61 14. 617-4. 961-10. 219 1. 00 86. 15 Q ATOM 1243 OD1 ASP Q 61 15. 771-4. 579-9. 924 1. 00 85. 68 Q ATOM 1244 OD2 ASP Q 61 13. 673-4. 177-10. 462 1. 00 87. 68 Q ATOM 1245 C ASP Q 61 12. 529-6. 168-11. 967 1 00 83. 16 Q ATOM 1246 0 ASP Q 61 13. 202-6. 428-12. 971 1. 00 83. 72 Q ATOM 1247 N MET Q 62 11. 465-5. 364-11. 978 1. 00 79. 97 Q ATOM 1248 CA MET Q 62 10. 979-4. 742-13. 212 1. 00 76. 84 Q ATOM 1249 CB MET Q 62 9. 958-3. 660-12. 888 1. 00 71. 26 Q ATOM 1250 CG MET Q 62 9. 402-2. 920-14. 086 1. 00 63. 25 Q ATOM 1251 SD MET Q 62 8. 219-3. 901-14. 962 1. 00 57. 75 Q ATOM 1252 CE MET Q 62 6. 962-4. 050-13. 854 1. 00 59. 16 Q ATOM 1253 C MET Q 62 12. 073-4. 139-14. 099 1. 00 77. 40 Q ATOM 1254 O MET Q 62 12. 201-4. 510-15. 258 1. 00 78. 90 Q ATOM 1255 N ASP Q 63 12. 853-3. 210-13. 563 1. 00 76. 64 Q ATOM 1256 CA ASP Q 63 13. 899-2. 575-14. 345 1. 00 76. 53 Q ATOM 1257 CB ASP Q 63 14. 729-1. 652-13. 467 1. 00 76. 26 Q ATOM 1258 CG ASP Q 63 14. 022-0. 357-13. 164 1. 00 76. 63 Q ATOM 1259 OD1 ASP Q 63 14. 632 0. 498-12. 484 1. 00 74. 64 Q ATOM 1260 OD2 ASP Q 63 12. 861-0. 199-13. 605 1. 00 75. 48 Q ATOM 1261 C ASP Q 63 14. 824-3. 542-15. 048 1. 00 76. 34 Q ATOM 1262 O ASP Q 63 15. 045-3. 428-16. 255 1. 00 77. 16 Q ATOM 1263 N ARG Q 64 15. 370-4. 488-14. 297 1. 00 75. 51 Q ATOM 1264 CA ARG Q 64 16. 288-5. 460-14. 868 1. 00 73. 94 Q ATOM 1265 CB ARG Q 64 16. 712-6. 449-13. 777 1. 00 76. 21 Q ATOM 1266 CG ARG Q 64 18. 094-7. 072-13. 993 1. 00 82. 09 Q ATOM 1267 CD ARG Q 64 18. 655-7. 663-12. 688 1. 00 86. 44 Q ATOM 1268 NE ARG Q 64 17. 735-8. 624-12. 069 1. 00 89. 58 Q ATOM 1269 CZ ARG Q 64 17. 290-9. 729-12. 672 1. 00 91. 23 Q ATOM 1270 NH1 ARG Q 64 17. 675-10. 023-13. 918 1. 00 89. 86 Q ATOM 1271 NH2 ARG Q 64 16. 467-10. 554-12. 027 1. 00 90. 77 Q ATOM 1272 C ARG Q 64 15. 678-6. 198-16. 072 1. 00 70. 33 Q ATOM 1273 O ARG Q 64 16. 374-6. 566-17. 003 1. 00 71. 23 Q ATOM 1274 N VAL Q 65 14. 371-6. 401-16. 055 1. 00 66. 33 Q ATOM 1275 CA VAL Q 65 13. 697-7. 109-17. 137 1. 00 63. 65 Q ATOM 1276 CB VAL Q 65 12. 305-7. 591-16. 712 1. 00 61. 21 Q ATOM 1277 CG1 VAL Q 65 11. 553-8. 134-17. 913 1. 00 56. 54 Q ATOM 1278 CG2 VAL Q 65 12. 437-8. 637-15. 643 1. 00 62. 92 Q ATOM 1279 C VAL Q 65 13. 499-6. 260-18. 375 1. 00 64. 91 Q ATOM 1280 O VAL Q 65 13. 812-6. 675-19. 488 1. 00 66. 09 Q ATOM 1281 N LEU Q 66 12. 938-5. 074-18. 178 1. 00 65. 73 Q ATOM 1282 CA LEU Q 66 12. 678-4. 167-19. 282 1. 00 64. 07 Q ATOM 1283 CB LEU Q 66 12. 001-2. 900-18. 773 1. 00 60. 05 Q ATOM 1284 CG LEU Q 66 10. 529-3. 084-18. 452 1. 00 56. 83 Q ATOM 1285 CD1 LEU Q 66 9. 950-1. 751-18. 102 1. 00 57. 52 Q ATOM 1286 CD2 LEU Q 66 9. 804-3. 653-19. 638 1. 00 55. 82 Q ATOM 1287 C LEU Q 66 13. 966-3. 836-20. 024 1. 00 65. 11 Q ATOM 1288 O LEU Q 66 13. 971-3. 720-21. 261 1. 00 66. 44 Q ATOM 1289 N LEU Q 67 15. 056-3. 703-19. 280 1. 00 64. 72 Q ATOM 1290 CA LEU Q 67 16. 325-3. 408-19. 905 1. 00 65. 44 Q ATOM 1291 CB LEU Q 67 17. 403-3. 270-18. 848 1. 00 63. 19 Q ATOM 1292 CG LEU Q 67 18. 323-2. 102-19. 161 1. 00 65. 10 Q ATOM 1293 CD1 LEU Q 67 17. 546-0. 792-18. 964 1. 00 66. 35 Q ATOM 1294 CD2 LEU Q 67 19. 557-2. 151-18. 266 1. 00 64. 52 Q ATOM 1295 C LEU Q 67 16. 682-4. 532-20. 867 1. 00 66. 70 Q ATOM 1296 O LEU Q 67 16. 760-4. 336-22. 073 1. 00 65. 22 Q ATOM 1297 N LYS Q 68 16. 877-5. 722-20. 316 1. 00 69. 16 Q ATOM 1298 CA LYS Q 68 17. 229-6. 882-21. 117 1. 00 72. 06 Q ATOM 1299 CB LYS Q 68 17. 001-8. 187-20. 338 1. 00 73. 04 Q ATOM 1300 CG LYS Q 68 17. 891-9. 344-20. 838 1. 00 76. 86 Q ATOM 1301 CD LYS Q 68 19. 409-8. 943-20. 800 1. 00 77. 16 Q ATOM 1302 CE LYS Q 68 20. 331-10. 105-21. 227 1. 00 74. 97 Q ATOM 1303 NZ LYS Q 68 21. 787-9. 725-21. 256 1. 00 70. 77 Q ATOM 1304 C LYS Q 68 16. 380-6. 881-22. 371 1. 00 72. 27 Q ATOM 1305 O LYS Q 68 16. 780-7. 437-23. 411 1. 00 75. 89 Q ATOM 1306 N TYR Q 69 15. 213-6. 249-22. 260 1. 00 69. 42 Q ATOM 1307 CA TYR Q 69 14. 286-6. 141-23. 364 1. 00 67. 26 Q ATOM 1308 CB TYR Q 69 12. 905-5. 783-22. 831 1. 00 61. 85 Q ATOM 1309 CG TYR Q 69 11. 890-5. 525-23. 908 1. 00 56. 55 Q ATOM 1310 CD1 TYR Q 69 11. 175-6. 570-24. 483 1. 00 52. 41 Q ATOM 1311 CE1 TYR Q 69 10. 238-6. 334-25. 466 1. 00 50. 55 Q ATOM 1312 CD2 TYR Q 69 11. 641-4. 231-24. 355 1. 00 53. 93 Q ATOM 1313 CE2 TYR Q 69 10. 703-3. 980-25. 340 1. 00 50. 44 Q ATOM 1314 CZ TYR Q 69 10. 004-5. 036-25. 887 1. 00 50. 40 Q ATOM 1315 OH TYR Q 69 9. 037-4. 786-26. 823 1. 00 53. 21 Q ATOM 1316 C TYR Q 69 14. 755-5. 065-24. 354 1. 00 69. 95 Q ATOM 1317 O TYR Q 69 14 872-5. 325-25. 563 1. 00 70. 41 Q ATOM 1318 N THR Q 70 15. 030-3. 864-23. 836 1. 00 71. 26 Q ATOM 1319 CA THR Q 70 15. 456-2. 734-24. 670 1. 00 71. 74 Q ATOM 1320 CB THR Q 70 15 934-1. 533-23. 834 1. 00 69. 83 Q ATOM 1321 OG1 THR Q 70 17. 182-1. 846-23. 211 1. 00 67. 63 Q ATOM 1322 CG2 THR Q 70 14. 921-1. 198-22. 781 1. 00 68. 77 Q ATOM 1323 C THR Q 70 16. 576-3. 107-25. 622 1. 00 72. 76 Q ATOM 1324 O THR Q 70 16. 686-2. 532-26. 716 1. 00 74. 34 Q ATOM 1325 N GLU Q 71 17. 402-4. 063-25. 205 1. 00 72. 79 Q ATOM 1326 CA GLU Q 71 18. 517-4. 521-26. 013 1. 00 72. 85 Q ATOM 1327 CB GLU Q 71 19. 810-4. 461-25. 211 1. 00 70. 64 Q ATOM 1328 CG GLU Q 71 19. 667-4. 988-23. 802 1. 00 71. 39 Q ATOM 1329 CD GLU Q 71 20. 932-4. 832-23. 000 1. 00 70. 67 Q ATOM 1330 OE1 GLU Q 71 21. 682-3. 880-23. 304 1. 00 71. 39 Q ATOM 1331 OE2 GLU Q 71 21. 166-5. 642-22. 068 1. 00 71. 44 Q ATOM 1332 C GLU Q 71 18. 239-5. 934-26. 419 1. 00 73. 66 Q ATOM 1333 O GLU Q 71 18. 778-6. 862-25. 866 1. 00 73. 79 Q ATOM 1334 N TYR Q 72 17. 378-6. 113-27. 394 1. 00 76. 51 Q ATOM 1335 CA TYR Q 72 17. 092-7. 461-27. 793 1. 00 80. 16 Q ATOM 1336 CB TYR Q 72 16. 004-8. 034-26. 921 1. 00 81. 05 Q ATOM 1337 CG TYR Q 72 15. 898-9. 529-27. 004 1. 00 81. 89 Q ATOM 1338 CD1 TYR Q 72 16. 623-10. 348-26. 139 1. 00 82. 08 Q ATOM 1339 CE1 TYR Q 72 16. 470-11. 744-26. 155 1. 00 81. 72 Q ATOM 1340 CD2 TYR Q 72 15. 020-10. 137-27. 904 1. 00 82. 12 Q ATOM 1341 CE2 TYR Q 72 14. 856-11. 525-27. 932 1. 00 81. 63 Q ATOM 1342 CZ TYR Q 72 15. 578-12. 319-27. 051 1. 00 81. 55 Q ATOM 1343 OH TYR Q 72 15. 372-13. 675-27. 036 1. 00 80. 08 Q ATOM 1344 C TYR Q 72 16. 671-7. 521-29. 232 1. 00 82. 37 Q ATOM 1345 O TYR Q 72 15. 512-7. 780-29. 553 1. 00 82. 59 Q ATOM 1346 N SER Q 73 17. 619-7. 256-30. 118 1. 00 85. 70 Q ATOM 1347 CA SER Q 73 17. 346-7. 317-31. 543 1. 00 87. 58 Q ATOM 1348 CB SER Q 73 18-247-6. 365-32. 340 1. 00 87. 66 Q ATOM 1349 OG SER Q 73 18. 624-5. 236-31. 572 1. 00 86. 38 Q ATOM 1350 C SER Q 73 17. 645-8. 752-31. 942 1. 00 89. 52 Q ATOM 1351 O SER Q 73 18. 813-9. 175-32. 052 1. 00 91. 08 Q ATOM 1352 N GLU Q 74 16. 567-9. 491-32. 101 1. 00 88. 71 Q ATOM 1353 CA GLU Q 74 16. 552-10. 877-32. 500 1. 00 88. 54 Q ATOM 1354 CB GLU Q 74 17. 262-11. 785-31. 480 1. 00 91. 58 Q ATOM 1355 CG GLU Q 74 18. 778-11. 896-31. 701 1. 00 96. 92 Q ATOM 1356 CD GLU Q 74 19. 450-13. 049-30. 930 1. 00100. 98 Q ATOM 1357 OE1 GLU Q 74 18. 730-13. 951-30. 433 1. 00101. 93 Q ATOM 1358 OE2 GLU Q 74 20. 708-13. 055-30. 839 1. 00103. 36 Q ATOM 1359 C GLU Q 74 15. 048-11. 081-32. 515 1. 00 87. 40 Q ATOM 1360 O GLU Q 74 14. 346-10. 616-31. 619 1. 00 89. 17 Q ATOM 1361 N PRO Q 75 14. 521-11. 741-33. 546 1. 00 86. 68 Q ATOM 1362 CD PRO Q 75 15. 276-12. 441-34. 593 1. 00 87. 57 Q ATOM 1363 CA PRO Q 75 13. 084-11. 989-33. 671 1. 00 84. 60 Q ATOM 1364 CB PRO Q 75 12. 950-12. 636-35. 063 1. 00 85. 51 Q ATOM 1365 CG PRO Q 75 14. 292-12. 437-35. 733 1. 00 87. 52 Q ATOM 1366 C PRO Q 75 12. 532-12. 890-32. 570 1. 00 81. 95 Q ATOM 1367 O PRO Q 75 13. 199-13. 810-32. 103 1. 00 82. 10 Q ATOM 1368 N HIS Q 76 11. 299-12. 624-32. 157 1. 00 78. 32 Q ATOM 1369 CA HIS Q 76 10. 650-13. 397-31. 108 1. 00 73. 18 Q ATOM 1370 CB HIS Q 76 11. 018-12. 825-29. 747 1. 00 72. 22 Q ATOM 1371 CG HIS Q 76 10. 876-11. 328-29. 676 1. 00 72. 58 Q ATOM 1372 CD2 HIS Q 76 11. 811-10. 345-29. 676 1. 00 71. 53 Q ATOM 1373 ND1 HIS Q 76 9. 652-10. 697-29. 643 1. 00 70. 64 Q ATOM 1374 CE1 HIS Q 76 9. 837-9. 388-29. 636 1. 00 71. 71 Q ATOM 1375 NE2 HIS Q 76 11. 137-9. 148-29. 660 1. 00 71. 13 Q ATOM 1376 C HIS Q 76 9. 144-13. 392-31-273 1. 00 71. 27 Q ATOM 1377 O HIS Q 76 8. 601-12. 722-32. 151 1. 00 69. 26 Q ATOM 1378 N GLU Q 77 8. 466-14. 169-30. 438 1. 00 69. 99 Q ATOM 1379 CA GLU Q 77 7. 005-14. 238-30. 480 1. 00 69. 11 Q ATOM 1380 CB GLU Q 77 6. 484-15. 339-29. 571 1. 00 69. 93 Q ATOM 1381 CG GLU Q 77 4. 978-15. 413-29. 534 1. 00 70. 93 Q ATOM 1382 CD GLU Q 77 4. 480-16. 210-28. 344 1. 00 72. 64 Q ATOM 1383 OE1 GLU Q 77 3. 300-16. 642-28. 384 1. 00 72. 92 Q ATOM 1384 OE2 GLU Q 77 5. 267-16. 387-27. 371 1. 00 72. 26 Q ATOM 1385 C GLU Q 77 6. 463-12. 913-29. 979 1. 00 68. 00 Q ATOM 1386 O GLU Q 77 6. 970-12. 382-28. 993 1. 00 68. 03 Q ATOM 1387 N SER Q 78 5. 449-12. 379-30. 655 1. 00 65. 70 Q ATOM 1388 CA SER Q 78 4. 862-11. 100-30. 266 1. 00 63. 01 Q ATOM 1389 CB SER Q 78 5. 565-9. 943-30. 960 1. 00 59. 24 Q ATOM 1390 OG SER Q 78 6. 929-9. 933-30. 611 1. 00 56. 08 Q ATOM 1391 C SER Q 78 3. 410-11. 110-30. 652 1. 00 64. 49 Q ATOM 1392 O SER Q 78 3. 064-10. 876-31. 793 1. 00 64. 55 Q ATOM 1393 N ARG Q 79 2. 547-11. 380-29. 685 1. 00 66. 28 Q ATOM 1394 CA ARG Q 79 1. 115-11. 447-29. 953 1. 00 67. 22 Q ATOM 1395 CB ARG Q 79 0. 529-12. 684-29. 268 1. 00 65. 35 Q ATOM 1396 CG ARG Q 79 1. 511-13. 834-29. 214 1. 00 64. 12 Q ATOM 1397 CD ARG Q 79 0. 857-15. 107-28. 772 1. 00 63. 87 Q ATOM 1398 NE ARG Q 79-0. 216-15. 532-29. 674 1. 00 63. 32 Q ATOM 1399 CZ ARG Q 79-0. 827-16. 716-29. 588 1. 00 64. 02 Q ATOM 1400 NH1 ARG Q 79-0. 462-17. 593-28. 641 1. 00 63. 42 Q ATOM 1401 NH2 ARG Q 79-1. 807-17. 021-30. 437 1. 00 62. 99 Q ATOM 1402 C ARG Q 79 0. 348-10. 203-29. 514 1. 00 68. 82 Q ATOM 1403 O ARG Q 79 0. 908-9. 268-28. 925 1. 00 67. 86 Q ATOM 1404 N THR Q 80-0. 941-10. 208-29. 824 1. 00 70. 58 Q ATOM 1405 CA THR Q 80-1. 829-9. 118-29. 481 1. 00 73. 64 Q ATOM 1406 CB THR Q 80-1. 916-8. 079-30. 625 1. 00 73. 81 Q ATOM 1407 OG1 THR Q 80-2. 234-8. 735-31. 863 1. 00 75. 55 Q ATOM 1408 CG2 THR Q 80-0. 599-7. 353-30. 776 1. 00 72. 85 Q ATOM 1409 C THR Q 80-3. 193-9. 736-29. 259 1. 00 76. 09 Q ATOM 1410 O THR Q 80-3. 351-10. 943-29. 378 1. 00 75. 40 Q ATOM 1411 N GLN Q 81-4. 184-8. 920-28. 932 1. 00 79. 03 Q ATOM 1412 CA GLN Q 81-5. 520-9. 453-28. 710 1. 00 81. 79 Q ATOM 1413 CB GLN Q 81-6. 355-8. 472-27. 895 1. 00 84. 46 Q ATOM 1414 CG GLN Q 81-5. 695-8. 037-26. 617 1. 00 88. 24 Q ATOM 1415 CD GLN Q 81-6. 638-7. 246-25. 748 1. 00 91. 65 Q ATOM 1416 OE1 GLN Q 81-7. 477-7. 815-25. 050 1. 00 92. 99 Q ATOM 1417 NE2 GLN Q 81-6. 525-5. 922-25. 800 1. 00 93. 31 Q ATOM 1418 C GLN Q 81-6. 173-9. 711-30. 055 1. 00 82. 49 Q ATOM 1419 0 GLN Q 81.-7. 091-10. 525-30. 174 1. 00 82. 10 Q ATOM 1420 N THR Q 82-5. 695-9. 004-31. 073 1. 00 84. 86 Q ATOM 1421 CA THR Q 82-6. 217-9. 188-32. 421 1. 00 85. 64 Q ATOM 1422 CB THR Q 82-5. 526-8. 261-33. 422 1. 00 84. 55 Q ATOM 1423 OG1 THR Q 82-4. 900-7. 186-32. 716 1. 00 83. 55 Q ATOM 1424 CG2 THR Q 82-6. 539-7. 702-34. 403 1. 00 83. 07 Q ATOM 1425 C THR Q 82-5. 863-10. 639-32. 761 1. 00 87. 12 Q ATOM 1426 O THR Q 82-6. 687-11. 400-33. 277 1. 00 88. 65 Q ATOM 1427 N ASP Q 83-4. 630-11. 015-32. 440 1. 00 86. 39 Q ATOM 1428 CA ASP Q 83-4. 136-12. 355-32. 679 1. 00 86. 87 Q ATOM 1429 CB ASP Q 83-2. 628-12. 380-32. 445 1. 00 89. 43 Q ATOM 1430 CG ASP Q 83-2. 022-13. 763-32. 666 1. 00 91. 78 Q ATOM 1431 OD1 ASP Q 83-2. 058-14. 243-33. 830 1. 00 93. 91 Q ATOM 1432 OD2 ASP Q 83-1. 521-14. 368-31. 678 1. 00 92. 34 Q ATOM 1433 C ASP Q 83-4. 821-13. 359-31. 753 1. 00 86. 67 Q ATOM 1434 O ASP Q 83-5. 500-14. 270-32. 213 1. 00 87. 79 Q ATOM 1435 N ILE Q 84-4. 625-13. 186-30. 449 1. 00 86. 14 Q ATOM 1436 CA ILE Q 84-5. 209-14. 067-29. 432 1. 00 84. 37 Q ATOM 1437 CB ILE Q 84-5. 189-13. 396-28. 025 1. 00 81. 71 Q ATOM 1438 CG2 ILE Q 84-6. 058-14. 182-27. 057 1. 00 80. 70 Q ATOM 1439 CG1 ILE Q 84-3. 758-13. 273-27. 501 1. 00 79. 10 Q ATOM 1440 CD1 ILE Q 84-3. 172-14. 540-26. 952 1. 00 76. 75 Q ATOM 1441 C ILE Q 84-6. 661-14. 408-29. 771 1. 00 84. 78 Q ATOM 1442 O ILE Q 84-7. 084-15. 548-29. 650 1. 00 84. 85 Q ATOM 1443 N LEU Q 85-7. 422-13. 409-30. 196 1. 00 84. 95 Q ATOM 1444 CA LEU Q 85-8. 824-13. 612-30. 530 1. 00 86. 59 Q ATOM 1445 CB LEU Q 85-9. 443-12. 286-30. 977 1. 00 86. 09 Q ATOM 1446 CG LEU Q 85-10. 964-12. 260-31. 148 1. 00 86. 93 Q ATOM 1447 CD1 LEU Q 85-11. 650-13. 042-30. 018 1. 00 86. 71 Q ATOM 1448 CD2 LEU Q 85-11. 435-10. 813-31. 158 1. 00 87. 57 Q ATOM 1449 C LEU Q 85-9. 000-14. 676-31. 607 1. 00 88. 46 Q ATOM 1450 O LEU Q 85-9. 778-15. 621-31. 440 1. 00 88. 57 Q ATOM 1451 N GLU Q 86-8. 265-14. 523-32. 707 1. 00 90. 75 Q ATOM 1452 CA GLU Q 86-8. 325-15. 479-33. 806 1. 00 91. 93 Q ATOM 1453 CB GLU Q 86-7. 434-15. 019-34. 961 1. 00 92. 39 Q ATOM 1454 CG GLU Q 86-7. 696-13. 577-35. 429 1. 00 93. 83 Q ATOM 1455 CD GLU Q 86-9. 185-13. 273-35. 721 1. 00 95. 28 Q ATOM 1456 OE1 GLU Q 86-9. 844-14. 049-36. 460 1. 00 94. 05 Q ATOM 1457 OE2 GLU Q 86-9. 694-12. 240-35. 217 1. 00 95. 03 Q ATOM 1458 C GLU Q 86-7. 880-16. 860-33. 313 1. 00 92. 41 Q ATOM 1459 O GLU Q 86-8. 611-17. 836-33. 453 1. 00 92. 85 Q ATOM 1460 N THR Q 87-6. 692-16. 945-32. 724 1. 00 92. 57 Q ATOM 1461 CA THR Q 87-6. 214-18. 223-32. 204 1. 00 95. 01 Q ATOM 1462 CB THR Q 87-4. 949-18. 061-31. 319 1. 00 94. 66 Q ATOM 1463 OG1 THR Q 87-3. 858-17. 565-32. 105 1. 00 94. 51 Q ATOM 1464 CG2 THR Q 87-4. 559-19. 401-30. 687 1. 00 92. 02 Q ATOM 1465 C THR Q 87-7. 293-18. 835-31. 323 1. 00 97. 30 Q ATOM 1466 O THR Q 87-7. 333-20. 039-31. 130 1. 00 96. 12 Q ATOM 1467 N LEU Q 88-8. 168-17. 990-30. 793 1. 00101. 54 Q ATOM 1468 CA LEU Q 88-9. 215-18. 454-29. 908 1. 00105. 62 Q ATOM 1469 CB LEU Q 88-9. 366-17. 483-28. 745 1. 00105. 22 Q ATOM 1470 CG LEU Q 88-8. 223-17. 778-27. 771 1. 00106. 08 Q ATOM 1471 CD1 LEU Q 88-8. 279-16. 847-26. 588 1. 00107. 18 Q ATOM 1472 CD2 LEU Q 88-8. 316-19. 242-27. 321 1. 00106. 70 Q ATOM 1473 C LEU Q 88-10. 539-18. 704-30. 568 1. 00109. 13 Q ATOM 1474 O LEU Q 88-11. 553-18. 906-29. 907 1. 00110. 47 Q ATOM 1475 N LYS Q 89-10. 529-18. 733-31. 886 1. 00113. 42 Q ATOM 1476 CA LYS Q 89-11. 754-18. 975-32. 608 1. 00118. 21 Q ATOM 1477 CB LYS Q 89-11. 762-18. 162-33. 898 1. 00118. 63 Q ATOM 1478 CG LYS Q 89-11. 693-16. 661-33. 700 1. 00119. 69 Q ATOM 1479 CD LYS Q 89-12. 969-16. 128-33. 079 1. 00121. 32 Q ATOM 1480 CE LYS Q 89-12. 933-14. 615-32. 986 1. 00122. 39 Q ATOM 1481 NZ LYS Q 89-14. 185-14. 074-32. 398 1. 00123. 51 Q ATOM 1482 C LYS Q 89-11. 999-20. 443-32. 956 1. 00121. 72 Q ATOM 1483 O LYS Q 89-13. 138-20. 808-33. 233 1. 00121. 75 Q ATOM 1484 N ARG Q 90-10. 977-21. 298-32. 907 1. 00126. 00 Q ATOM 1485 CA ARG Q 90-11. 184-22. 692-33. 342 1. 00130. 17 Q ATOM 1486 CB ARG Q 90-10. 657-22. 808-34. 765 1. 00133. 22 Q ATOM 1487 CG ARG Q 90-9. 127-22. 786-34. 813 1. 00137. 76 Q ATOM 1488 CD ARG Q 90-8. 618-23. 377-36. 112 1. 00141. 70 Q ATOM 1489 NE ARG Q 90-7. 157-23. 436-36. 193 1. 00145. 05 Q ATOM 1490 CZ ARG Q 90-6. 488-23. 654-37. 324 1. 00145. 74 Q ATOM 1491 NH1 ARG Q 90-7. 150-23. 830-38. 464 1. 00145. 80 Q ATOM 1492 NH2 ARG Q 90-5. 158-23. 693-37. 319 1. 00146. 16 Q ATOM 1493 C ARG Q 90-10. 581-23. 862-32. 552 1. 00130. 96 Q ATOM 1494 0 ARG Q 90-11. 100-24. 985-32. 553 1. 00131. 73 Q ATOM 1495 N ARG Q 91-9. 428-23. 535-31. 978 1. 00131. 38 Q ATOM 1496 CA ARG Q 91-8. 463-24. 307-31. 165 1. 00132. 00 Q ATOM 1497 CB ARG Q 91-8. 588-23. 880-29. 730 1. 00132. 06 Q ATOM 1498 CG ARG Q 91-7. 414-23. 001-29. 486 1. 00131. 54 Q ATOM 1499 CD ARG Q 91-6. 554-23. 454-28. 362 1. 00130. 39 Q ATOM 1500 NE ARG Q 91-5. 306-22. 714-28. 429 1. 00129. 37 Q ATOM 1501 CZ ARG Q 91-4. 460-22. 594-27. 419 1. 00128. 94 Q ATOM 1502 NH1 ARG Q 91-4. 738-23. 167-26. 262 1. 00128. 65 Q ATOM 1503 NH2 ARG Q 91-3. 340-21. 906-27. 573 1. 00129. 31 Q ATOM 1504 C ARG Q 91-7. 990-25. 764-31. 098 1. 00132. 82 Q ATOM 1505 O ARG Q 91-8. 742-26. 730-30. 788 1. 00132. 91 Q ATOM 1506 OXT ARG Q 91-6. 745-25. 860-31. 262 1. 00132. 89 Q ATOM 1507 CB LYS X 104 2. 283-17. 450-34. 781 1. 00110. 17 X ATOM 1508 CG LYS X 104 3. 046,-17. 261-33. 468 1. 00109. 05 X ATOM 1509 CD LYS X 104 4. 301-18. 129-33. 393 1. 00106. 93 X ATOM 1510 CE LYS X 104 4. 005-19. 614-33. 607 1. 00106. 23 X ATOM 1511 NZ LYS X 104 3. 082-20. 204-32. 607 1. 00105. 02 X ATOM 1512 C LYS X 104 1. 607-15. 097-35. 332 1. 00112. 23 X ATOM 1513 O LYS X 104 1. 417-14. 613-36. 452 1. 00112. 56 X ATOM 1514 N LYS X 104 0. 202-17. 006-36. 072 1. 00110. 96 X ATOM 1515 CA LYS X 104 1. 089-16. 495-34. 980 1. 00111. 92 X ATOM 1516 N GLY X 105 2. 238-14. 445-34. 363 1. 00111. 53 X ATOM 1517 CA GLY X 105 2. 814-13. 136-34. 596 1. 00111. 96 X ATOM 1518 C GLY X 105 4. 295-13. 359-34. 386 1. 00112. 25 X ATOM 1519 O GLY X 105 4. 667-14. 157-33. 532 1. 00112. 18 X ATOM 1520 N SER X 106 5. 155-12. 690-35. 146 1. 00113. 08 X ATOM 1521 CA SER X 106 6. 583-12. 912-34. 958 1. 00114. 56 X ATOM 1522 CB SER X 106 6. 988-14. 246-35. 599 1. 00114. 55 X ATOM 1523 OG SER X 106 8. 307-14-631-35. 240 1-00114. 48 X ATOM 1524 C SER X 106 7. 529-11. 815-35. 437 1. 00115. 54 X ATOM 1525 O SER X 106 8. 095-11. 891-36. 528 1. 00115. 33 X ATOM 1526 N THR X 107 7. 696-10. 800-34. 596 1. 00116. 92 X ATOM 1527 CA THR X 107 8. 604-9. 683-34. 850 1. 00118. 00 X ATOM 1528 CB THR X 107 7. 932-8. 511-35. 611 1. 00119. 57 X ATOM 1529 OG1 THR X 107 7. 628-8. 910-36. 952 1. 00120. 70 X ATOM 1530 CG2 THR X 107 8. 868-7. 300-35. 657 1. 00120. 17 X ATOM 1531 C THR X 107 9. 017-9. 152-33. 487 1. 00117. 87 X ATOM 1532 O THR X 107 8. 366-9. 452-32. 483 1. 00119. 16 X ATOM 1533 N GLY X 108 10. 110-8. 391-33. 456 1. 00117. 09 X ATOM 1534 CA GLY X 108 10. 547-7. 778-32. 218 1. 00117. 01 X ATOM 1535 C GLY X 108 9. 526-6. 670-32. 029 1. 00117. 01 X ATOM 1536 O GLY X 108 8. 704-6. 454-32. 920 1. 00116. 84 X ATOM 1537 N ALA X 109 9. 554-5. 954-30. 912 1. 00116. 16 X ATOM 1538 CA ALA X 109 8. 561-4. 907-30. 698 1. 00114. 91 X ATOM 1539 CB ALA X 109 8. 354-4. 700-29. 250 1. 00114. 46 X ATOM 1540 C ALA X 109 8. 867-3. 581-31. 346 1. 00114. 70 X ATOM 1541 O ALA X 109 8. 209-3. 175-32. 296 1. 00115. 81 X ATOM 1542 N SER X 110 9. 858-2. 881-30. 824 1. 00114. 63 X ATOM 1543 CA SER X 110 10. 187-1. 581-31. 393 1. 00115. 14 X ATOM 1544 CB SER X 110 9. 544-0. 466-30. 562 1. 00116. 10 X ATOM 1545 OG SER X 110 9. 958-0. 539-29. 207 1. 00117. 21 X ATOM 1546 C SER X 110 11. 687-1. 344-31. 491 1. 00113. 56 X ATOM 1547 O SER X 110 12. 483-2. 091-30. 911 1. 00115. 26 X ATOM 1548 N THR X 111 12. 061-0. 295-32. 220 1. 00109. 11 X ATOM 1549 CA THR X 111 13. 460 0. 035-32. 398 1. 00105. 48 X ATOM 1550 CB THR X 111 13. 800 0. 125-33. 897 1. 00105. 90 X ATOM 1551 OG1 THR X 111 13. 526-1. 134-34. 525 1. 00106. 31 X ATOM 1552 CG2 THR X 111 15. 268 0. 469-34. 100 1. 00105. 03 X ATOM 1553 C THR X 111 13. 816 1. 353-31. 718 1. 00103. 07 X ATOM 1554 O THR X 111 14. 770 1. 425-30. 952 1. 00102. 26 X ATOM 1555 N GLU X 112 13. 045 2. 399-31. 997 1. 00101. 43 X ATOM 1556 CA GLU X 112 13. 311 3. 709-31. 409 1. 00 98. 45 X ATOM 1557 CB GLU X 112 12. 706 4. 836-32. 251 1. 00 99. 33 X ATOM 1558 CG GLU X 112 13. 029 6. 203-31. 667 1. 00103. 36 X ATOM 1559 CD GLU X 112 12. 330 7. 351-32. 375 1. 00106. 25 X ATOM 1560 OE1 GLU X 112 12. 445 7. 429-33. 624 1. 00107. 08 X ATOM 1561 OE2 GLU X 112 11. 678 8. 177-31. 681 1. 00106. 20 X ATOM 1562 C GLU X 112 12. 750 3. 797-29. 998 1. 00 95. 94 X ATOM 1563 0 GLU X 112 13. 394 4. 369-29. 114 1. 00 95. 48 X ATOM 1564 N VAL X 113 11. 544 3. 252-29. 798 1. 00 91. 61 X ATOM 1565 CA VAL X 113 10. 906 3. 256-28. 483 1. 00 86. 18 X ATOM 1566 CB VAL X 113 9. 565 2. 525-28. 495 1. 00 85. 08 X ATOM 1567 CG1 VAL X 113 9. 100 2. 299-27. 083 1. 00 82. 88 X ATOM 1568 CG2 VAL X 113 8. 557 3. 326-29. 253 1. 00 83. 58 X ATOM 1569 C VAL X 113 11. 842 2. 539-27. 519 1. 00 84. 24 X ATOM 1570 O VAL X 113 12. 126 3. 045-26. 422 1. 00 84. 88 X ATOM 1571 N LYS X 114 12. 326 1. 365-27. 936 1. 00 79. 81 X ATOM 1572 CA LYS X 114 13. 250 0. 600-27. 119 1. 00 75. 05 X ATOM 1573 CB LYS X 114 13. 721-0. 633-27. 869 1. 00 73. 58 X ATOM 1574 CG LYS X 114 12. 587-1. 501-28. 328 1. 00 71. 94 X ATOM 1575 CD LYS X 114 12. 817-2. 974-27. 992 1. 00 71. 57 X ATOM 1576 CE LYS X 114 13. 752-3. 691-28. 950 1. 00 69. 77 X ATOM 1577 NZ LYS X 114 13. 027-4. 297-30. 104 1. 00 68. 07 X ATOM 1578 C LYS X 114 14. 423 1. 508-26. 810 1. 00 73. 62 X ATOM 1579 O LYS X 114 15. 041 1. 400-25. 762 1. 00 71. 99 X ATOM 1580 N GLN X 115 14. 715 2. 414-27. 733 1. 00 73. 82 X ATOM 1581 CA GLN X 115 15. 788 3. 374-27. 545 1. 00 75. 55 X ATOM 1582 CB GLN X 115 16. 096 4. 056-28. 871 1. 00 77. 80 X ATOM 1583 CG GLN X 115 17. 268 3. 432-29. 616 1. 00 82. 00 X ATOM 1584 CD GLN X 115 18. 595 3. 702-28. 911 1. 00 83. 84 X ATOM 1585 OE1 GLN X 115 19. 045 4. 851-28. 830 1. 00 85. 79 X ATOM 1586 NE2 GLN X 115 19. 219 2. 650-28. 385 1. 00 83. 73 X ATOM 1587 C GLN X 115 15. 357 4. 401-26. 504 1. 00 75. 59 X ATOM 1588 O GLN X 115 16. 020 4. 590-25. 483 1. 00 74. 05 X ATOM 1589 N LYS X 116 14. 233 5. 058-26. 763 1. 00 76. 01 X ATOM 1590 CA LYS X 116 13. 722 6. 043-25. 829 1. 00 76. 25 X ATOM 1591 CB LYS X 116 12. 390 6. 624-26. 335 1. 00 76. 61 X ATOM 1592 CG LYS X 116 11. 646 7. 503-25. 305 1. 00 77. 72 X ATOM 1593 CD LYS X 116 12. 566 8. 539-24. 653 1. 00 78. 09 X ATOM 1594 CE LYS X 116 11. 817 9. 409-23. 668 1. 00 78. 53 X ATOM 1595 NZ LYS X 116 12. 741 10. 354-22. 969 1. 00 79. 70 X ATOM 1596 C LYS X 116 13. 529 5. 375-24. 463 1. 00 75. 91 X ATOM 1597 O LYS X 116 13. 819 5. 991-23. 416 1. 00 77. 13 X ATOM 1598 N LEU X 117 13. 051 4. 128-24. 472 1. 00 72. 25 X ATOM 1599 CA LEU X 117 12. 828 3. 423-23. 217 1. 00 69. 61 X ATOM 1600 CB LEU X 117 12. 145 2. 073-23. 434 1. 00 63. 71 X ATOM 1601 CG LEU X 117 12. 099 1. 134-22. 215 1. 00 59. 23 X ATOM 1602 CD1 LEU X 117 11. 817 1. 879-20. 959 1. 00 56. 77 X ATOM 1603 CD2 LEU X 117 11. 075 0. 060-22. 430 1. 00 56. 16 X ATOM 1604 C LEU X 117 14. 117 3. 212-22. 460 1. 00 71. 42 X ATOM 1605 O LEU X 117 14. 202 3. 506-21. 268 1. 00 73. 05 X ATOM 1606 N GLN X 118 15. 137 2. 728-23. 150 1. 00 73. 68 X ATOM 1607 CA GLN X 118 16. 391 2. 471-22. 471 1. 00 11 X ATOM 1608 CB GLN X 118 17. 392 1. 817-23. 409 1. 00 73. 35 X ATOM 1609 CG GLN X 118 18. 675 1. 456-22. 707 1. 00 69. 68 X ATOM 1610 CD GLN X 118 19. 583 0. 688-23. 587 1. 00 68. 18 X ATOM 1611 OE1 GLN X 118 19. 174-0. 294-24. 196 1. 00 69. 55 X ATOM 1612 NE2 GLN X 118 20. 830 1. 117-23. 669 1. 00 66. 35 X ATOM 1613 C GLN X 118 17. 026 3. 692-21. 839 1. 00 77. 19 X ATOM 1614 O GLN X 118 17. 311 3. 691-20. 648 1. 00 77. 26 X ATOM 1615 N GLU X 119 17. 256 4. 738-22. 624 1. 00 80. 84 X ATOM 1616 CA GLU X 119 17. 878 5. 943-22. 069 1. 00 85. 38 X ATOM 1617 CB GLU X 119 17. 806 7. 116-23. 069 1. 00 89. 02 X ATOM 1618 CG GLU X 119 16. 382 7. 511-23. 498 1. 00 95. 41 X ATOM 1619 CD GLU X 119 16. 347 8. 827-24. 302 1. 00 98. 65 X ATOM 1620 OE1 GLU X 119 16. 753 9. 887-23. 745 1. 00100. 13 X ATOM 1621 OE2 GLU X 119 15. 923 8. 797-25. 490 1. 00 98. 26 X ATOM 1622 C GLU X 119 17. 205 6. 320-20. 748 1. 00 84. 89 X ATOM 1623 0 GLU X 119 17. 873 6. 676-19. 785 1. 00 82. 92 X ATOM 1624 N PHE X 120 15. 881 6. 208-20. 711 1. 00 86. 68 X ATOM 1625 CA PHE X 120 15. 116 6. 523-19. 523 1. 00 89. 64 X ATOM 1626 CB PHE X 120 13. 621 6. 299-19. 775 1. 00 90. 59 X ATOM 1627 CG PHE X 120 12. 795 6. 208-18. 510 1. 00 93. 12 X ATOM 1628 CD1 PHE X 120 12. 900 7. 183-17. 511 1. 00 93. 33 X ATOM 1629 CD2 PHE X 120 11. 927 5. 133-18. 309 1. 00 92. 90 X ATOM 1630 CE1 PHE X 120 12. 154 7. 081-16. 339 1. 00 94. 39 X ATOM 1631 CE2 PHE X 120 11. 180 5. 024-17. 142 1. 00 92. 48 X ATOM 1632 CZ PHE X 120 11. 292 5. 996-16. 157 1. 00 93. 88 X ATOM 1633 C PHE X 120 15. 577 5. 649-18. 373 1. 00 90. 07 X ATOM 1634 O PHE X 120 16. 190 6. 131-17. 415 1. 00 91. 30 X ATOM 1635 N LEU X 121 15. 260 4. 365-18. 479 1. 00 90. 14 X ATOM 1636 CA LEU X 121 15. 611 3. 378-17. 473 1. 00 90. 86 X ATOM 1637 CB LEU X 121 15. 552 1. 994-18. 107 1. 00 91. 88 X ATOM 1638 CG LEU X 121 14. 491 0. 998-17. 631 1. 00 93. 05 X ATOM 1639 CD1 LEU X 121 13. 216 1. 722-17. 223 1. 00 93. 70 X ATOM 1640 CD2 LEU X 121 14. 216-0. 016-18. 746 1. 00 93. 33 X ATOM 1641 C LEU X 121 16. 979 3 603-16. 855 1. 00 91. 22 X ATOM 1642 O LEU X 121 17. 139 3. 527-15. 647 1. 00 90. 79 X ATOM 1643 N LEU X 122 17. 966 3. 895-17. 692 1. 00 92. 90 X ATOM 1644 CA LEU X 122 19. 334 4. 119-17. 224 1. 00 94. 44 X ATOM 1645 CB LEU X 122 20. 305 4. 170-18. 400 1. 00 94. 57 X ATOM 1646 CG LEU X 122 20. 725 2. 817-18. 964 1. 00 94. 63 X ATOM 1647 CD1 LEU X 122 19. 490 2. 024-19. 365 1. 00 95. 68 X ATOM 1648 CD2 LEU X 122 21. 642 3. 036-20. 154 1. 00 94. 47 X ATOM 1649 C LEU X 122 19. 493 5. 381-16. 410 1. 00 95. 42 X ATOM 1650 O LEU X 122 20. 074 5. 349-15. 333 1. 00 95. 21 X ATOM 1651 N SER X 123 18. 991 6. 492-16. 946 1. 00 97. 65 X ATOM 1652 CA SER X 123 19. 057 7. 787-16. 271 1. 00 99. 20 X ATOM 1653 CB SER X 123 18. 496 8. 884-17. 181 1 00 98. 46 X ATOM 1654 OG SER X 123 17. 222 8. 530-17. 681 1. 00 98. 07 X ATOM 1655 C SER X 123 18. 262 7. 716-14. 971 1. 00100. 48 X ATOM 1656 O SER X 123 18. 654 8. 283-13. 951 1. 00100. 20 X ATOM 1657 N LYS X 124 17. 147 6. 997-15. 014 1. 00101. 97 X ATOM 1658 CA LYS X 124 16. 299 6. 820-13. 844 1. 00103. 47 X ATOM 1659 CB LYS X 124 15. 056 6. 011-14. 221 1. 00104. 83 X ATOM 1660 CG LYS X 124 13. 955 6. 015-13. 159 1. 00107. 31 X ATOM 1661 CD LYS X 124 12. 953 4. 873-13. 348 1. 00107. 40 X ATOM 1662 CE LYS X 124 13. 567 3. 540-12. 936 1. 00107. 40 X ATOM 1663 NZ LYS X 124 14. 031 3. 559-11. 515 1. 00105. 63 X ATOM 1664 C LYS X 124 17. 092 6. 064-12. 783 1. 00103. 88 X ATOM 1665 O LYS X 124 16. 535 5. 484-11. 861 1. 00103. 78 X ATOM 1666 N SER X 125 18. 407 6. 064-12. 932 1. 00105. 23 X ATOM 1667 CA SER X 125 19. 293 5. 373-11. 997 1. 00106. 81 X ATOM 1668 CB SER X 125 19. 851 4. 077-12. 625 1. 00106. 91 X ATOM 1669 OG SER X 125 18. 804 3. 231-13. 075 1. 00106. 41 X ATOM 1670 C SER X 125 20. 448 6. 306-11. 641 1. 00107. 38 X ATOM 1671 O SER X 125 21. 618 5. 848-11. 683 1. 00107. 32 X ATOM 1672 OXT SER X 125 20. 156 7. 486-11. 327 1. 00108. 06 X ATOM 1673 05'ADE C 3-12. 589-6. 363 2. 393 1. 00131. 80 C ATOM 1674 N9 ADE C 3-16. 082-8. 786 1. 643 1. 00130. 73 C ATOM 1675 C4 ADE C 3-17. 312-9. 229 1. 229 1. 00129. 50 C ATOM 1676 N3 ADE C 3-17. 929-10. 367 1. 586 1. 00128. 51 C ATOM 1677 C2 ADE C 3-19. 096-10. 478 0. 964 1. 00128. 15 C ATOM 1678 N1 ADE C 3-19. 669-9. 649 0. 085 1. 00128. 66 C ATOM 1679 C6 ADE C 3-19. 018-8. 514-0. 255 1. 00128. 66 C ATOM 1680 N6 ADE C 3-19. 579-7. 692-1. 143 1. 00128. 06 C ATOM 1681 C5 ADE C 3-17. 780-8. 272 0. 347 1. 00129. 21 C ATOM 1682 N7 ADE C 3-16. 879-7. 223 0. 235 1. 00129. 15 C ATOM 1683 C8 ADE C 3-15. 895-7. 570 1. 028 1. 00130. 05 C ATOM 1684 C2'ADE C 3-14. 264-10. 422 1. 682 1. 00133. 99 C ATOM 1685 C5'ADE C 3-12. 491-7. 657 1. 796 1. 00133. 60 C ATOM 1686 C4'ADE C 3-12. 913-8. 753 2. 747 1. 00133. 94 C ATOM 1687 04'ADE C 3-14. 294-8. 529 3. 108 1. 00133. 34 C ATOM 1688 C1'ADE C 3-15. 146-9. 499 2. 511 1. 00132. 50 C ATOM 1689 C3'ADE C 3-12. 847-10. 158 2. 153 1. 00134. 89 C ATOM 1690 03'ADE C 3-12. 423-11. 125 3. 119 1. 00136. 97 C ATOM 1691 P GUA C 4-11. 910-12. 567 2. 621 1. 00138. 69 C ATOM 1692 O1P GUA C 4-11. 113-12. 325 1. 382 1. 00138. 54 C ATOM 1693 02P GUA C 4-11. 291-13. 281 3. 769 1. 00138. 97 C ATOM 1694 05'GUA C 4-13. 258-13. 323 2. 213 1. 00137. 91 C ATOM 1695 N9 GUA C 4-16. 741-13. 482 0. 689 1. 00134. 78 C ATOM 1696 C4 GUA C 4-17. 764-13. 330-0. 214 1. 00134. 88 C ATOM 1697 N3 GUA C 4-18. 908-14. 040-0. 241 1. 00134. 20 C ATOM 1698 C2 GUA C 4-19. 703-13. 651-1. 217 1. 00134. 31 C ATOM 1699 N2 GUA C 4-20. 880-14. 254-1. 391 1. 00133. 99 C ATOM 1700 N1 GUA C 4-19. 402-12. 639-2. 095 1. 00135. 03 C ATOM 1701 C6 GUA C 4-18. 230-11. 889-2. 082 1. 00135. 34 C ATOM 1702 06 GUA C 4-18. 064-10. 983-2. 912 1. 00135. 25 C ATOM 1703 C5 GUA C 4-17. 364-12. 306-1. 049 1. 00135. 23 C ATOM 1704 N7 GUA C 4-16. 107-11. 843-0. 693 1. 00134. 77 C ATOM 1705 C8 GUA C 4-15. 776-12. 575 0. 333 1. 00135. 02 C ATOM 1706 C2'GUA C 4-16. 301-15. 832 1. 468 1. 00132. 60 C ATOM 1707 C5'GUA C 4-13. 440-14. 731 2. 422 1. 00135. 04 C ATOM 1708 C4'GUA C 4-14. 779-14. 978 3. 079 1. 00132. 75 C ATOM 1709 04'GUA C 4-15. 687-13. 915 2. 714 1. 00134. 05 C ATOM 1710 C1'GUA C 4-16. 689-14. 401 1. 824 1. 00134. 20 C ATOM 1711 C3'GUA C 4-15. 476-16. 269 2. 667 1. 00130. 95 C ATOM 1712 03'GUA C 4-16. 315-16. 712 3. 735 1. 00126. 04 C ATOM 1713 P CYT C 5-17. 100-18. 105 3. 605 1. 00123. 54 C ATOM 1714 O1P CYT C 5-16. 084-19. 158 3. 339 1. 00123. 73 C ATOM 1715 02P CYT C 5-18. 016-18. 246 4. 761 1. 00123. 58 C ATOM 1716 05'CYT C 5-18. 010-17. 908 2. 311 1. 00121. 73 C ATOM 1717 N1 CYT C 5-18. 740-17. 407-1. 816 1. 00103. 96 C ATOM 1718 C6 CYT C 5-17. 477-17. 067-1. 420 1. 00102. 25 C ATOM 1719 C2 CYT C 5-19. 237-16. 962-3. 043 1. 00102. 34 C ATOM 1720 02 CYT C 5-20. 370-17. 321-3. 399 1. 00100. 94 C ATOM 1721 N3 CYT C 5-18. 467-16. 157-3. 810 1. 00101. 42 C ATOM 1722 C4 CYT C 5-17. 246-15. 808-3. 399 1. 00100. 95 C ATOM 1723 N4 CYT C 5-16. 537-14. 987-4. 171 1. 00100. 71 C ATOM 1724 C5 CYT C 5-16. 704-16. 279-2. 173 1. 00100. 85 C ATOM 1725 C2'CYT C 5-18. 923-19. 411-0. 287 1. 00108. 95 C ATOM 1726 C5'CYT C 5-19. 388-17. 542 2. 434 1. 00116. 62 C ATOM 1727 C4'CYT C 5-20. 195-18. 173 1. 325 1. 00112. 85 C ATOM 1728 04'CYT C 5-20. 071-17. 401 0. 108 1. 00111. 66 C ATOM 1729 C1'CYT C 5-19. 607-18. 228-0. 953 1. 00107. 74 C ATOM 1730 C3'CYT C 5-19. 747-19. 591 0. 977 1. 00111. 28 C ATOM 1731 03'CYT C 5-20. 882-20. 412 0. 728 1. 00110. 74 C ATOM 1732 P THY C 6-20. 751-22. 001 0. 888 1. 00111. 35 C ATOM 1733 O1P THY C 6-20. 131-22. 316 2. 212 1. 00111. 65 C ATOM 1734 02P THY C 6-22. 082-22. 580 0. 535 1. 00111. 19 C ATOM 1735 05'THY C 6-19. 690-22. 389-0. 237 1. 00109. 85 C ATOM 1736 N1 THY C 6-19. 413-20. 298-4. 408 1. 00 84. 99 C ATOM 1737 C6 THY C 6-18. 276-20. 382-3. 642 1. 00 80. 83 C ATOM 1738 C2 THY C 6-19. 436-19. 572-5. 571 1. 00 82. 74 C ATOM 1739 02 THY C 6-20. 419-19. 490-6. 284 1. 00 83. 64 C ATOM 1740 N3 THY C 6-18. 262-18. 938-5. 868 1. 00 79. 85 C ATOM 1741 C4 THY C 6-17. 098-18. 953-5. 129 1. 00 78. 34 C ATOM 1742 04 THY C 6-16. 121-18. 310-5. 504 1. 00 78. 44 C ATOM 1743 C5 THY C 6-17. 139-19. 746-3. 933 1. 00 78. 75 C ATOM 1744 C5A THY C 6-15. 918-19. 815-3. 067 1. 00 78. 93 C ATOM 1745 C2'THY C 6-20. 832-22. 379-4. 491 1. 00 94. 89 C ATOM 1746 C5'THY C 6-20. 095-23. 122-1. 387 1. 00104. 63 C ATOM 1747 C4'THY C 6-21. 160-22. 352-2. 129 1. 00 99. 70 C ATOM 1748 04'THY C 6-20. 624-21. 078-2. 557 1. 00 97. 89 C ATOM 1749 Cl'THY C 6-20. 655-20. 972-3. 977 1. 00 92. 01 C ATOM 1750 C3'THY C 6-21. 648-23. 036-3. 393 1. 00 97. 68 C ATOM 1751 03'THY C 6-23. 040-22. 799-3. 549 1. 00 97. 96 C ATOM 1752 P ADE C 7-23. 928-23. 876-4. 335 1. 00100. 82 C ATOM 1753 O1P ADE C 7-23. 189-25. 178-4. 269 1. 00 99. 48 C ATOM 1754 02P ADE C 7-25. 341-23. 799-3. 860 1. 00100. 20 C ATOM 1755 05'ADE C 7-23. 887-23. 361-5. 846 1. 00 98. 54 C ATOM 1756 N9 ADE C 7-20. 888-22. 680-8. 019 1. 00 75. 08 C ATOM 1757 C4 ADE C 7-19. 754-21. 904-8. 148 1. 00 71. 84 C ATOM 1758 N3 ADE C 7-19. 594-20. 796-8. 896 1. 00 67. 91 C ATOM 1759 C2 ADE C 7-18. 373-20. 289-8. 738 1. 00 66. 40 C ATOM 1760 N1 ADE C 7-17. 362-20. 731-7. 973 1. 00 67. 99 C ATOM 1761 C6 ADE C 7-17. 550-21. 854-7. 230 1. 00 68. 73 C ATOM 1762 N6 ADE C 7-16. 548-22. 302-6. 454 1. 00 61. 90 C ATOM 1763 C5 ADE C 7-18. 804-22. 486-7. 317 1. 00 70. 88 C ATOM 1764 N7 ADE C 7-19. 319-23. 623-6. 709 1. 00 72. 55 C ATOM 1765 C8 ADE C 7-20. 550-23. 700-7. 165 1. 00 73. 31 C ATOM 1766 C2'ADE C 7-23. 126-23. 653-8. 700 1. 00 81. 69 C ATOM 1767 C5'ADE C 7-24. 554-22. 148-6. 231 1. 00 93. 04 C ATOM 1768 C4'ADE C 7-24. 276-21. 836-7. 683 1. 00 87. 76 C ATOM 1769 04'ADE C 7-22. 880-21. 483-7. 828 1. 00 86. 56 C ATOM 1770 C1'ADE C 7-22. 201-22. 444-8. 631 1. 00 80. 46 C ATOM 1771 C3'ADE C 7-24. 506-23. 026-8. 609 1. 00 85. 04 C ATOM 1772 03'ADE C 7-24. 969-22. 535-9. 871 1. 00 86. 71 C ATOM 1773 P THY C 8-25. 507-23. 558-10. 993 1. 00 88. 19 C ATOM 1774 O1P THY C 8-25. 649-24. 883-10. 345 1. 00 89. 63 C ATOM 1775 02P THY C 8-26. 650-22. 990-11. 764 1. 00 86. 36 C ATOM 1776 05'THY C 8-24. 274-23. 626-11. 979 1. 00 86. 99 C ATOM 1777 N1 THY C 8-18. 936-22. 893-11. 592 1. 00 74. 19 C ATOM 1778 C6 THY C 8-19. 190-23. 978-10. 783 1. 00 71. 92 C ATOM 1779 C2 THY C 8-17. 739-22. 203-11. 525 1. 00 73. 41 C ATOM 1780 02 THY C 8-17. 469-21. 253-12. 252 1. 00 74. 64 C ATOM 1781 N3 THY C 8-16. 864-22. 672-10. 582 1. 00 71. 19 C ATOM 1782 C4 THY C 8-17. 050-23. 742-9. 739 1. 00 70. 62 C ATOM 1783 04 THY C 8-16. 176-24. 025-8. 936 1. 00 72. 18 C ATOM 1784 C5 THY C 8-18. 315-24. 448-9. 890 1. 00 70. 58 C ATOM 1785 C5A THY C 8-18. 576-25. 670-9. 067 1. 00 68. 61 C ATOM 1786 C2'THY C 8-20. 446-23. 544-13. 469 1. 00 79. 81 C ATOM 1787 C5'THY C 8-22. 988-23. 320-11. 499 1. 00 83. 30 C ATOM 1788 C4'THY C 8-22. 286-22. 407-12. 462 1. 00 81. 14 C ATOM 1789 04'THY C 8-21. 066-21. 990-11. 825 1. 00 79. 67 C ATOM 1790 Cl'THY C 8-19. 944-22. 443-12. 559 1. 00 77. 51 C ATOM 1791 C3'THY C 8-21. 875-23. 128-13. 739 1. 00 81. 47 C ATOM 1792 03'THY C 8-21. 939-22. 248-14. 849 1. 00 84. 67 C ATOM 1793 P THY C 9-21. 695-22. 822-16. 328 1. 00 88. 77 C ATOM 1794 O1P THY C 9-21. 387-24. 276-16. 214 1. 00 86. 48 C ATOM 1795 02P THY C 9-22. 831-22. 371-17 198 1. 00 88. 50 C ATOM 1796 05'THY C 9-20. 368-22. 059-16. 775 1. 00 87. 66 C ATOM 1797 N1 THY C 9-16. 715-22. 734-14. 960 1. 00 75. 57 C ATOM 1798 C6 THY C 9-17. 603-23. 786-14. 991 1. 00 76. 49 C ATOM 1799 C2 THY C 9-15. 621-22. 738-14. 116 1. 00 74. 74 C ATOM 1800 02 THY C 9-14. 793-21. 836-14. 075 1. 00 72. 80 C ATOM 1801 N3 THY C 9-15. 523-23. 852-13. 320 1. 00 76. 57 C ATOM 1802 C4 THY C 9-16. 377-24. 945-13. 294 1. 00 77. 88 C ATOM 1803 04 THY C 9-16. 159-25. 886-12. 513 1. 00 77. 37 C ATOM 1804 C5 THY C 9-17. 488-24. 876-14. 223 1. 00 77. 24 C ATOM 1805 C5A THY C 9-18. 448-26. 017-14. 288 1. 00 76. 51 C ATOM 1806 C2'THY C 9-17. 209-21. 924-17. 288 1. 00 79. 29 C ATOM 1807 C5'THY C 9-20. 221-20. 662-16. 520 1. 00 84. 69 C ATOM 1808 C4'THY C 9-18. 761-20. 279-16. 517 1. 00 82. 23 C ATOM 1809 04'THY C 9-18. 080-20. 880-15. 386 1. 00 82. 34 C ATOM 1810 Cl'THY C 9-16. 924-21. 572-15. 839 1. 00 78. 98 C ATOM 1811 C3'THY C 9-17. 985-20. 710-17. 761 1. 00 80. 12 C ATOM 1812 03'THY C 9-17. 076-19. 670-18. 109 1. 00 81. 27 C ATOM 1813 P THY C 10-16. 498-19. 579-19. 601 1. 00 80. 76 C ATOM 1814 O1P THY C 10-17. 163-20. 639-20. 406 1. 00 80. 17 C ATOM 1815 02P THY C 10-16. 573-18. 150-20. 051 1. 00 79. 13 C ATOM 1816 05'THY C 10-14. 975-19. 987-19. 406 1. 00 78. 28 C ATOM 1817 N1 THY C 10-12. 394-23. 479-16. 453 1. 00 71. 51 C ATOM 1818 C6 THY C 10-13. 494-24. 095-17. 008 1. 00 70. 02 C ATOM 1819 C2 THY C 10-11. 757-24. 008-15. 343 1. 00 71. 26 C ATOM 1820 02 THY C 10-10. 748-23. 519-14. 847 1. 00 70. 84 C ATOM 1821 N3 THY C 10-12. 340-25. 139-14. 833 1. 00 68. 94 C ATOM 1822 C4 THY C 10-13. 451-25. 789-15. 316 1. 00 70. 81 C ATOM 1823 04 THY C 10-13. 859-26. 787-14. 748 1. 00 72. 01 C ATOM 1824 C5 THY C 10-14. 051-25. 205-16. 500 1. 00 71. 64 C ATOM 1825 C5A THY C 10-15. 263-25. 858-17. 093 1. 00 72. 77 C ATOM 1826 C2'THY C 10-11. 706-22. 215-18. 520 1. 00 75. 16 C ATOM 1827 C5'THY C 10-14. 576-20. 806-18. 322 1. 00 75. 22 C ATOM 1828 C4'THY C 10-13. 170-20. 456-17. 906 1. 00 75. 50 C ATOM 1829 04'THY C 10-12. 849-21. 209-16. 717 1. 00 76. 28 C ATOM 1830 Cl'THY C 10-11. 883-22. 210-17. 008 1. 00 73. 22 C ATOM 1831 C3'THY C 10-12. 087-20. 807-18. 927 1. 00 73. 45 C ATOM 1832 03'THY C 10-10. 978-19. 899-18. 794 1. 00 72. 01 C ATOM 1833 P ADE C 11-9. 581-20. 198-19. 532 1. 00 70. 13 C ATOM 1834 O1P ADE C 11-9. 873-21. 041-20. 722 1. 00 69. 30 C ATOM 1835 02P ADE C 11-8. 818-18. 930-19. 698 1. 00 67. 69 C ATOM 1836 05'ADE C 11-8. 793-21. 076-18. 471 1. 00 65. 99 C ATOM 1837 N9 ADE C 11-8. 665-24. 678-17. 334 1. 00 50. 79 C ATOM 1838 C4 ADE C 11-8. 944-25. 872-16. 716 1. 00 47. 18 C ATOM 1839 N3 ADE C 11-8. 190-26. 506-15. 790 1. 00 47. 04 C ATOM 1840 C2 ADE C 11-8. 804-27. 623-15. 367 1. 00 47. 74 C ATOM 1841 N1 ADE C 11-10. 012-28. 125-15. 729 1. 00 46. 95 C ATOM 1842 C6 ADE C 11-10. 747-27. 454-16. 656 1. 00 46. 12 C ATOM 1843 N6 ADE C 11-11. 962-27. 930-16. 984 1. 00 47. 79 C ATOM 1844 C5 ADE C 11-10. 187-26. 273-17. 205 1. 00 45. 68 C ATOM 1845 N7 ADE C 11-10. 641-25. 380-18. 176 1. 00 44. 07 C ATOM 1846 C8 ADE C 11-9. 688-24. 471-18. 235 1. 00 47. 94 C ATOM 1847 C2'ADE C 11-6. 708-23. 221-18. 101 1. 00 62. 47 C ATOM 1848 C5'ADE C 11-8. 274-20. 491-17. 291 1. 00 65. 05 C ATOM 1849 C4'ADE C 11-7. 345-21. 467-16. 608 1. 00 65. 32 C ATOM 1850 04'ADE C 11-8. 083-22. 668-16. 277 1. 00 65. 33 C ATOM 1851 C1'ADE C 11-7. 542-23. 797-16. 976 1. 00 59. 11 C ATOM 1852 C3'ADE C 11-6. 178-21. 939-17. 471 1. 00 64. 70 C ATOM 1853 03'ADE C 11-5. 068-22. 187-16. 599 1. 00 67. 61 C ATOM 1854 P THY C 12-3. 618-22. 481-17. 209 1. 00 69. 10 C ATOM 1855 O1P THY C 12-3. 828-22. 601-18. 681 1. 00 66. 31 C ATOM 1856 02P THY C 12-2. 630-21. 497-16. 690 1. 00 67. 03 C ATOM 1857 05'THY C 12-3. 273-23. 902-16. 563 1. 00 70. 70 C ATOM 1858 N1 THY C 12-6. 025-28. 035-18. 077 1. 00 59. 54 C ATOM 1859 C6 THY C 12-6. 337-27. 208-19. 139 1. 00 56. 19 C ATOM 1860 C2 THY C 12-6. 926-28. 969-17. 620 1. 00 57. 51 C ATOM 1861 02 THY C 12-6. 686-29. 725-16. 703 1. 00 59. 68 C ATOM 1862 N3 THY C 12-8. 130-28. 985-18. 281 1. 00 52. 22 C ATOM 1863 C4 THY C 12-8 526-28. 171-19. 330 1. 00 51. 58 C ATOM 1864 04 THY C 12-9. 674-28. 277-19. 801 1. 00 46. 21 C ATOM 1865 C5 THY C 12-7. 519-27. 226-19. 780 1. 00 52. 92 C ATOM 1866 C5A THY C 12-7. 838-26. 321-20. 931 1. 00 53. 30 C ATOM 1867 C2'THY C 12-3. 551-27. 342-18. 173 1. 00 68. 91 C ATOM 1868 C5'THY C 12-4. 314-24. 863-16. 339 1. 00 71. 08 C ATOM 1869 C4'THY C 12-3. 752-26. 243-16. 073 1. 00 69. 91 C ATOM 1870 04'THY C 12-4. 881-27. 137-16. 226 1. 00 68. 49 C ATOM 1871 Cl'THY C 12-4. 712-27. 948-17. 382 1. 00 65. 35 C ATOM 1872 C3'THY C 12-2. 701-26. 724-17. 079 1. 00 71. 38 C ATOM 1873 03'THY C 12-1. 866-27. 736-16. 502 1. 00 76. 94 C ATOM 1874 P ADE C 13-0. 907-27. 378-15. 254 1. 00 85. 31 C ATOM 1875 O1P ADE C 13 0. 514-27. 376-15. 717 1. 00 80. 47 C ATOM 1876 02P ADE C 13-1. 456-26. 164-14. 557 1. 00 85. 85 C ATOM 1877 05'ADE C 13-1. 103-28. 626-14. 264 1. 00 84. 98 C ATOM 1878 N9 ADE C 13-2. 561-31. 870-16. 849 1. 00 74. 50 C ATOM 1879 C4 ADE C 13-3. 763-32. 248-17. 390 1. 00 72. 25 C ATOM 1880 N3 ADE C 13-4. 640-33. 132-16. 887 1. 00 72. 82 C ATOM 1881 C2 ADE C 13-5. 725-33. 208-17. 657 1. 00 72. 74 C ATOM 1882 N1 ADE C 13-6. 022-32. 535-18. 784 1. 00 71. 41 C ATOM 1883 C6 ADE C 13-5. 124-31. 646-19. 256 1. 00 71. 65 C ATOM 1884 N6 ADE C 13-5. 439-30. 951-20. 355 1. 00 70. 79 C ATOM 1885 C5 ADE C 13-3. 912-31. 496-18. 539 1. 00 71. 48 C ATOM 1886 N7 ADE C 13-2. 789-30. 706-18. 748 1. 00 71. 37 C ATOM 1887 C8 ADE C 13-2. 015-30. 982-17. 728 1. 00 72. 39 C ATOM 1888 C2'ADE C 13-0. 543-32. 660-15. 581 1. 00 81. 12 C ATOM 1889 C5'ADE C 13-0. 193-29. 735-14. 252 1. 00 84. 45 C ATOM 1890 C4'ADE C 13-0. 911-31. 013-13. 880 1. 00 84. 02 C ATOM 1891 04'ADE C 13-2. 117-31. 142-14. 675 1. 00 82. 33 C ATOM 1892 C1'ADE C 13-2. 011-32. 271-15. 556 1. 00 79. 78 C ATOM 1893 C3'ADE C 13-0. 080-32. 267-14. 185 1. 00 84. 80 C ATOM 1894 03'ADE C 13-0. 345-33. 319-13. 228 1. 00 88. 19 C ATOM 1895 P ADE C 14 0. 880-34. 157-12. 597 1. 00 90. 03 C ATOM 1896 O1P ADE C 14 2. 075-33. 306-12. 853 1. 00 87. 95 C ATOM 1897 02P ADE C 14 0. 590-34. 604-11. 208 1. 00 87. 02 C ATOM 1898 05'ADE C 14 0. 914-35. 451-13. 517 1. 00 91. 25 C ATOM 1899 N9 ADE C 14-1. 864-35. 516-18. 164 1. 00 90. 03 C ATOM 1900 C4 ADE C 14-2. 900-35. 243-19. 031 1. 00 86. 06 C ATOM 1901 N3 ADE C 14-4. 130-35. 788-19. 032 1. 00 84. 49 C ATOM 1902 C2 ADE C 14-4. 861-35. 300-20. 028 1. 00 83. 14 C ATOM 1903 N1 ADE C 14-4. 530-34. 400-20. 954 1. 00 82. 90 C ATOM 1904 C6 ADE C 14-3. 284-33. 873-20. 931 1. 00 84. 17 C ATOM 1905 N6 ADE C 14-2. 944-32. 982-21. 877 1. 00 85. 24 C ATOM 1906 C5 ADE C 14-2. 413-34. 302-19. 917 1. 00 84. 24 C ATOM 1907 N7 ADE C 14-1. 100-33. 968-19. 608 1. 00 84. 10 C ATOM 1908 C8 ADE C 14-0. 823-34. 707-18. 561 1. 00 87. 18 C ATOM 1909 C2'ADE C 14-0. 692-37. 463-17. 104 1. 00 96. 29 C ATOM 1910 C5'ADE C 14 0. 403-35. 393-14. 839 1. 00 93. 97 C ATOM 1911 C4'ADE C 14-0. 742-36. 359-14. 992 1. 00 95. 62 C ATOM 1912 04'ADE C 14-1. 743-35. 762-15. 845 1. 00 95. 63 C ATOM 1913 C1'ADE C 14-1. 865-36. 487-17. 060 1. 00 93. 31 C ATOM 1914 C3'ADE C 14-0. 340-37. 679-15. 643 1. 00 97. 98 C ATOM 1915 03'ADE C 14-1. 073-38. 768-15. 073 1. 00103. 23 C ATOM 1916 P GUA C 15-0. 709-40. 282-15. 478 1. 00105. 91 C ATOM 1917 O1P GUA C 15 0. 413-40. 230-16. 457 1. 00104. 22 C ATOM 1918 02P GUA C 15-0. 560-41. 068-14. 226 1. 00106. 45 C ATOM 1919 05'GUA C 15-2. 026-40. 757-16. 239 1. 00107. 95 C ATOM 1920 N9 GUA C 15-2. 651-38. 713-20. 765 1. 00111. 06 C ATOM 1921 C4 GUA C 15-3. 038-37. 911-21. 808 1. 00109. 51 C ATOM 1922 N3 GUA C 15-4. 139-38. 079-22. 566 1. 00108. 26 C ATOM 1923 C2 GUA C 15-4. 240-37. 155-23. 503 1. 00108. 34 C ATOM 1924 N2 GUA C 15-5. 273-37. 183-24. 353 1. 00108. 21 C ATOM 1925 N1 GUA C 15-3. 334-36. 137-23. 678 1. 00108. 14 C ATOM 1926 C6 GUA C 15-2. 194-35. 939-22 905 1. 00108. 78 C ATOM 1927 06 GUA C 15-1. 444-34. 975-23. 141 1. 00108. 68 C ATOM 1928 C5 GUA C 15-2. 069-36. 934-21. 898 1. 00109. 53 C ATOM 1929 N7 GUA C 15-1. 091-37. 118-20. 930 1. 00110. 24 C ATOM 1930 C8 GUA C 15-1. 477-38. 182-20. 280 1. 00110. 82 C ATOM 1931 C2'GUA C 15-2. 413-41. 062-19. 968 1. 00114. 72 C ATOM 1932 C5'GUA C 15-2. 744-39. 823-17. 041 1. 00111. 93 C ATOM 1933 C4'GUA C 15-3. 666-40. 523-18. 013 1. 00113. 95 C ATOM 1934 04'GUA C 15-3. 980-39. 553-19. 044 1. 00114. 92 C ATOM 1935 C1'GUA C 15-3. 346-39. 899-20. 274 1. 00113. 28 C ATOM 1936 C3'GUA C 15-3. 054-41. 709-18. 755 1. 00115. 00 C ATOM 1937 03'GUA C 15-4 100-42. 622-19. 138 1. 00116. 73 C ATOM 1938 P CYT C 16-3. 804-43. 772-20. 222 1. 00118. 21 C ATOM 1939 O1P CYT C 16-2. 368-44. 122-20. 065 1. 00116. 96 C ATOM 1940 02P CYT C 16-4. 847-44. 828-20. 106 1. 00115. 46 C ATOM 1941 05'CYT C 16-4. 006-43. 062-21. 634 1. 00119. 60 C ATOM 1942 N1 CYT C 16-2. 363-41. 063-24. 541 1. 00123. 90 C ATOM 1943 C6 CYT C 16-1. 336-41. 331-23. 681 1. 00123. 50 C ATOM 1944 C2 CYT C 16-2. 465-39. 813-25. 152 1. 00123. 71 C ATOM 1945 02 CYT C 16-3. 426-39. 582-25. 897 1. 00123. 19 C ATOM 1946 N3 CYT C 16-1. 514-38. 887-24. 910 1. 00123. 53 C ATOM 1947 C4 CYT C 16-0. 501-39. 167-24. 086 1. 00124. 09 C ATOM 1948 N4 CYT C 16 0. 431-38. 226-23. 892 1. 00125. 27 C ATOM 1949 C5 CYT C 16-0. 392-40. 421-23. 429 1. 00123. 82 C ATOM 1950 C2'CYT C 16-3. 025-43. 506-24. 415 1. 00124. 81 C ATOM 1951 C5'CYT C 16-5. 308-42. 935-22. 202 1. 00123. 19 C ATOM 1952 C4'CYT C 16-5. 225-42. 959-23. 711 1. 00124. 58 C ATOM 1953 04'CYT C 16-4. 575-41. 752-24. 185 1. 00125. 52 C ATOM 1954 C1'CYT C 16-3. 371-42. 089-24. 859 1. 00124. 53 C ATOM 1955 C3'CYT C 16-4. 405-44. 119-24. 277 1. 00124. 83 C ATOM 1956 03'CYT C 16-4. 816-44. 404-25. 622 1. 00124. 59 C ATOM 1957 05'GUA D 3 1. 563-29. 509-31. 797 1. 00124. 06 D ATOM 1958 N9 GUA D 3-0. 313-33. 516-28. 895 1. 00123. 79 D ATOM 1959 C4 GUA D 3-0. 662-34. 665-28. 220 1. 00122. 57 D ATOM 1960 N3 GUA D 3-1. 605-35. 556-28. 596 1. 00120. 93 D ATOM 1961 C2 GUA D 3-1. 704-36. 561-27. 737 1. 00121. 03 D ATOM 1962 N2 GUA D 3-2. 611-37. 527-27. 931 1. 00121. 08 D ATOM 1963 N1 GUA D 3-0. 925-36. 693-26. 617 1. 00121. 29 D ATOM 1964 C6 GUA D 3 0. 055-35. 788-26. 213 1. 00122. 29 D ATOM 1965 06 GUA D 3 0. 708-36. 000-25. 180 1. 00122. 79 D ATOM 1966 C5 GUA D 3 0. 157-34. 698-27. 110 1. 00122. 66 D ATOM 1967 N7 GUA D 3 0. 987-33. 586-27. 075 1. 00122. 27 D ATOM 1968 C8 GUA D 3 0. 670-32. 913-28. 146 1. 00123. 16 D ATOM 1969 C2'GUA D 3-1. 491-31. 659-30. 077 1. 00126. 72 D ATOM 1970 C5'GUA D 3 1. 441-30. 801-31. 198 1. 00126. 58 D ATOM 1971 C4'GUA D 3 0. 260-31. 603-31. 698 1. 00127. 12 D ATOM 1972 04'GUA D 3 0. 254-32. 903-31. 061 1. 00127. 38 D ATOM 1973 C1'GUA D 3-0. 848-33. 033-30. 166 1. 00125. 29 D ATOM 1974 C3'GUA D 3-1. 105-30. 999-31. 390 1. 00128. 19 D ATOM 1975 03'GUA D 3-2. 026-31. 331-32. 436 1. 00130. 97 D ATOM 1976 P CYT D 4-3. 528-30. 754-32. 388 1. 00134. 55 D ATOM 1977 O1P CYT D 4-3. 517-29. 511-31. 557 1. 00134. 19 D ATOM 1978 02P CYT D 4-4. 081-30. 713-33. 766 1. 00134. 34 D ATOM 1979 05'CYT D 4-4. 334-31. 869-31. 594 1. 00133. 89 D ATOM 1980 N1 CYT D 4-4. 778-33. 652-27. 673 1. 00130. 69 D ATOM 1981 C6 CYT D 4-3. 890-32. 631-27. 869 1. 00129. 28 D ATOM 1982 C2 CYT D 4-4. 642-34. 501-26. 576 1. 00130. 08 D ATOM 1983 02 CYT D 4-5. 473-35. 405-26. 417 1. 00130. 37 D ATOM 1984 N3 CYT D 4-3. 612-34. 313-25. 717 1. 00128. 97 D ATOM 1985 C4 CYT D 4-2. 743-33. 321-25. 924 1. 00128. 47 D ATOM 1986 N4 CYT D 4-1. 732-33. 185-25. 057 1. 00128. 09 D ATOM 1987 C5 CYT D 4-2. 868-32. 431-27. 029 1. 00128. 46 D ATOM 1988 C2'CYT D 4-7. 056-32. 912-28. 479 1. 00131. 79 D ATOM 1989 C5'CYT D 4-5. 651-31. 623-31. 129 1. 00133. 76 D ATOM 1990 C4'CYT D 4-6. 298-32. 928-30. 741 1. 00132. 68 D ATOM 1991 04'CYT D 4-5. 372-33. 696-29. 934 1. 00133. 61 D ATOM 1992 C1'CYT D 4-5. 885-33. 880-28. 620 1. 00131. 94 D ATOM 1993 C3'CYT D 4-7. 564-32. 781-29. 906 1. 00131. 28 D ATOM 1994 03'CYT D 4-8. 473-33. 828-30. 240 1. 00128. 85 D ATOM 1995 P THY D 5-9. 787-34. 045-29. 356 1. 00128. 62 D ATOM 1996 O1P THY D 5-10. 325-32. 702-29. 008 1. 00129. 07 D ATOM 1997 02P THY D 5-10. 653-35. 029-30. 056 1. 00128. 49 D ATOM 1998 05'THY D 5-9. 221-34. 729-28. 038 1. 00126-05 D ATOM 1999 N1 THY D 5-7. 628-34. 575-24. 255 1. 00117. 23 D ATOM 2000 C6 THY D 5-7. 476-33. 436-25. 018 1. 00116. 61 D ATOM 2001 C2 THY D 5-6. 871-34. 785-23. 124 1. 00116. 63 D ATOM 2002 02 THY D 5-7. 008-35. 760-22. 402 1. 00116. 32 D ATOM 2003 N3 THY D 5-5. 944-33. 806-22. 865 1. 00115. 40 D ATOM 2004 C4 THY D 5-5. 715-32. 659-23. 596 1. 00115. 14 D ATOM 2005 04 THY D 5-4. 824-31. 887-23. 256 1. 00114. 49 D ATOM 2006 C5 THY D 5-6. 578-32. 477-24. 747 1. 00116. 06 D ATOM 2007 C5A THY D 5-6. 435-31. 234-25. 572 1. 00116. 35 D ATOM 2008 C2'THY D 5-9. 980-35. 144-25. 040 1. 00118-91 D ATOM 2009 C5'THY D 5-8. 904-36. 110-28. 035 1. 00122. 17 D ATOM 2010 C4'THY D 5-9. 137-36. 687-26. 660 1. 00120. 46 D ATOM 2011 04'THY D 5-8. 066-36. 271-25. 785 1. 00120 42 D ATOM 2012 C1'THY D 5-8. 591-35. 621-24. 641 1. 00118. 79 D ATOM 2013 C3'THY D 5-10. 435-36. 250-25. 982 1. 00119. 62 D ATOM 2014 03'THY D 5-10. 996-37. 365-25. 274 1. 00119. 04 D ATOM 2015 P THY D 6-12. 344-37. 179-24. 415 1. 00119. 94 D ATOM 2016 O1P THY D 6-13. 007-35. 909-24. 838 1. 00120. 30 D ATOM 2017 02P THY D 6-13. 107-38. 452-24. 456 1. 00119. 39 D ATOM 2018 05'THY D 6-11. 810-36. 998-22. 923 1. 00118. 66 D ATOM 2019 N1 THY D 6-9. 649-34. 400-20. 393 1. 00103. 06 D ATOM 2020 C6 THY D 6-10. 249-33. 515-21. 260 1. 00101. 59 D ATOM 2021 C2 THY D 6-8. 388-34. 173-19. 894 1. 00102. 85 D ATOM 2022 02 THY D 6-7. 813-34. 957-19. 156 1. 00103. 95 D ATOM 2023 N3 THY D 6-7. 820-32. 994-20. 296 1. 00100. 80 D ATOM 2024 C4 THY D 6-8. 366-32. 046-21. 135 1. 00 99. 78 D ATOM 2025 04 THY D 6-7. 734-31. 022-21. 387 1. 00 97. 69 D ATOM 2026 C5 THY D 6-9. 687-32. 364-21. 649 1. 00100. 63 D ATOM 2027 C5A THY D 6-10. 365-31. 403-22. 579 1. 00100. 76 D ATOM 2028 C2'THY D 6-11. 857-35. 595-20. 119 1. 00106. 02 D ATOM 2029 C5'THY D 6-11. 214-38. 092-22. 214 1. 00113. 61 D ATOM 2030 C4'THY D 6-10. 951-37. 704-20. 776 1. 00110. 06 D ATOM 2031 04'THY D 6-9. 894-36. 714-20. 710 1. 00108. 96 D ATOM 2032 C1'THY D 6-10. 351-35. 610-19. 945 1. 00105. 57 D ATOM 2033 C3'THY D 6-12. 151-37. 082-20. 055 1. 00107. 84 D ATOM 2034 03'THY D 6-12. 159-37. 493-18. 685 1. 00106. 46 D ATOM 2035 P ADE D 7-13. 009-38. 781-18. 250 1. 00106. 34 D ATOM 2036 O1P ADE D 7-13. 837-39. 133-19. 431 1. 00105. 64 D ATOM 2037 02P ADE D 7-12. 066-39. 784-17. 678 1. 00105. 80 D ATOM 2038 05'ADE D 7-14. 014-38. 287-17. 110 1. 00103. 13 D ATOM 2039 N9 ADE D 7-11. 006-34. 649-16. 487 1. 00 81. 33 D ATOM 2040 C4 ADE D 7-10. 142-33. 612-16. 724 1. 00 76. 15 D ATOM 2041 N3 ADE D 7-8. 871-33. 505-16. 313 1. 00 73. 41 D ATOM 2042 C2 ADE D 7-8. 347-32. 351-16. 718 1. 00 72. 59 D ATOM 2043 N1 ADE D 7-8. 903-31. 369-17. 441 1. 00 88 D ATOM 2044 C6 ADE D 7-10. 185-31. 512-17. 842 1. 00 73. 85 D ATOM 2045 N6 ADE D 7-10. 748-30. 536-18. 569 1. 00 72. 91 D ATOM 2046 C5 ADE D 7-10. 856-32. 687-17. 468 1. 00 75. 02 D ATOM 2047 N7 ADE D 7-12. 153-33. 132-17. 696 1. 00 77. 07 D ATOM 2048 C8 ADE D 7-12. 192-34. 298-17. 099 1. 00 79. 65 D ATOM 2049 C2'ADE D 7-11. 404-35. 850-14. 370 1. 00 89. 48 D ATOM 2050 C5'ADE D 7-13. 604-37. 433-16. 037 1. 00 97. 71 D ATOM 2051 C4'ADE D 7-12. 184-37. 733-15. 615 1. 00 93. 72 D ATOM 2052 04'ADE D 7-11. 277-36. 967-16. 449 1. 00 91. 65 D ATOM 2053 C1'ADE D 7-10. 720-35. 868-15. 727 1. 00 86. 93 D ATOM 2054 C3'ADE D 7-11. 909-37. 268-14. 190 1. 00 91. 71 D ATOM 2055 03'ADE D 7-10. 929-38. 094-13. 558 1. 00 91. 97 D ATOM 2056 P THY D 8-10. 642-37. 911-11. 988 1. 00 91. 70 D ATOM 2057 O1P THY D 8-11. 923-38. 116-11. 253 1. 00 90. 03 D ATOM 2058 02P THY D 8-9. 417-38. 647-11. 578 1. 00 91. 91 D ATOM 2059 05'THY D 8-10. 277-36. 381-11. 870 1. 00 89. 30 D ATOM 2060 N1 THY D 8-10. 064-32. 107-12. 708 1. 00 66. 16 D ATOM 2061 C6 THY D 8-11. 318-32. 579-13. 033 1. 00 64. 01 D ATOM 2062 C2 THY D 8-9. 483-31. 078-13. 413 1. 00 64. 90 D ATOM 2063 02 THY D 8-8. 342-30. 695-13. 194 1. 00 67. 06 D ATOM 2064 N3 THY D 8-10. 274-30. 519-14. 385 1. 00 60. 73 D ATOM 2065 C4 THY D 8-11. 552-30. 896-14. 735 1. 00 61. 83 D ATOM 2066 04 THY D 8-12. 156-30. 267-15. 608 1. 00 60. 10 D ATOM 2067 C5 THY D 8-12. 084-32. 035-13. 999 1. 00 63. 07 D ATOM 2068 C5A THY D 8-13. 451-32. 544-14. 345 1. 00 61. 10 D ATOM 2069 C2'THY D 8-10. 032-32. 514-10. 229 1. 00 75. 68 D ATOM 2070 C5'THY D 8-10. 366-35. 730-10. 633 1. 00 84. 10 D ATOM 2071 C4'THY D 8-9. 235-34. 747-10. 511 1. 00 80. 59 D ATOM 2072 04'THY D 8-9. 110-34. 033-11. 767 1. 00 78. 87 D ATOM 2073 C1'THY D 8-9. 304-32. 646-11. 561 1. 00 72. 46 D ATOM 2074 C3'THY D 8-9. 522-33. 703-9. 439 1. 00 78. 71 D ATOM 2075 03'THY D 8-8. 345-33. 397-8. 704 1. 00 78. 48 D ATOM 2076 P ADE D 9-8. 425-32. 319-7. 537 1. 00 79. 42 D ATOM 2077 O1P ADE D 9-9. 879-32. 042-7. 429 1. 00 75. 87 D ATOM 2078 02P ADE D 9-7. 636-32-757-6. 345 1. 00 76. 79 D ATOM 2079 05'ADE D 9-7. 695-31. 058-8. 172 1. 00 77. 87 D ATOM 2080 N9 ADE D 9-8. 875-28. 559-10. 334 1. 00 43. 88 D ATOM 2081 C4 ADE D 9-9. 527-27. 886-11. 341 1. 00 40. 85 D ATOM 2082 N3 ADE D 9-9. 071-26. 839-12. 067 1. 00 36. 96 D ATOM 2083 C2 ADE D 9-9. 982-26. 456-12. 947 1. 00 39. 01 D ATOM 2084 N1 ADE D 9-11. 204-26. 972-13. 179 1. 00 40. 18 D ATOM 2085 C6 ADE D 9-11. 608-28. 035-12. 434 1. 00 39. 68 D ATOM 2086 N6 ADE D 9-12. 811-28. 583-12. 653 1. 00 44. 84 D ATOM 2087 C5 ADE D 9-10. 746-28. 510-11. 469 1. 00 38. 08 D ATOM 2088 N7 ADE D 9-10. 866-29. 539-10. 551 1. 00 40. 42 D ATOM 2089 C8 ADE D 9-9. 726-29. 519-9. 906 1. 00 43. 29 D ATOM 2090 C2'ADE D 9-7. 423-28. 187-8. 334 1. 00 61. 42 D ATOM 2091 C5'ADE D 9-6. 341-31. 158-8. 647 1. 00 73. 74 D ATOM 2092 C4'ADE D 9-5. 875-29. 809-9. 136 1. 00 68. 55 D ATOM 2093 04'ADE D 9-6. 741-29. 422-10. 224 1. 00 64. 38 D ATOM 2094 C1'ADE D 9-7. 533-28. 312-9. 841 1. 00 55. 66 D ATOM 2095 C3'ADE D 9-6. 032-28. 723-8. 076 1. 00 65. 89 D ATOM 2096 03'ADE D 9-5. 074-27. 700-8. 309 1. 00 70. 14 D ATOM 2097 P ADE D 10-4. 892-26. 528-7. 236 1. 00 73. 73 D ATOM 2098 O1P ADE D 10-5. 914-26. 771-6. 178 1. 00 71. 60 D ATOM 2099 02P ADE D 10-3. 445-26. 409-6. 876 1. 00 71. 79 D ATOM 2100 05'ADE D 10-5. 315-25. 232-8. 044 1. 00 72. 53 D ATOM 2101 N9 ADE D 10-9. 858-24. 276-10. 207 1. 00 63. 86 D ATOM 2102 C4 ADE D 10-10. 990-24. 218-10. 970 1. 00 63. 01 D ATOM 2103 N3 ADE D 10-11. 215-23. 406-12. 013 1. 00 63. 54 D ATOM 2104 C2 ADE D 10-12. 434-23. 619-12. 511 1. 00 65. 61 D ATOM 2105 N1 ADE D 10-13. 379-24. 495-12. 116 1. 00 66. 05 D ATOM 2106 C6 ADE D 10-13. 114-25. 295-11. 059 1. 00 64. 52 D ATOM 2107 N6 ADE D 10-14. 052-26. 157-10. 661 1. 00 64. 87 D ATOM 2108 C5 ADE D 10-11. 857-25. 164-10. 441 1. 00 61. 94 D ATOM 2109 N7 ADE D 10-11. 277-25. 808-9. 361 1. 00 62. 73 D ATOM 2110 C8 ADE D 10-10. 092-25. 247-9. 262 1. 00 63. 45 D ATOM 2111 C2'ADE D 10-8. 237-22. 622-9. 200 1. 00 70. 11 D ATOM 2112 C5'ADE D 10-6. 487-25. 257-8. 820 1. 00 71. 12 D ATOM 2113 C4'ADE D 10-6. 486-24. 118-9. 806 1. 00 70. 28 D ATOM 2114 04'ADE D 10-7. 605-24. 359-10. 679 1. 00 70. 17 D ATOM 2115 C1'ADE D 10-8. 663-23. 460-10. 406 1. 00 67. 01 D ATOM 2116 C3'ADE D 10-6. 722-22. 741-9. 193 1. 00 69. 72 D ATOM 2117 03'ADE D 10-6. 088-21. 735-9. 995 1. 00 70. 49 D ATOM 2118 P ADE D 11-6. 042-20. 208-9. 484 1. 00 73. 59 D ATOM 2119 O1P ADE D 11-6. 414-20. 208-8. 035 1. 00 73. 16 D ATOM 2120 02P ADE D 11-4. 743-19. 616-9. 906 1. 00 70. 74 D ATOM 2121 05'ADE D 11-7. 194-19. 499-10. 337 1. 00 72. 74 D ATOM 2122 N9 ADE D 11-10. 992-19. 688-10. 436 1. 00 80. 00 D ATOM 2123 C4 ADE D 11-12. 253-20. 234-10. 523 1. 00 78. 38 D ATOM 2124 N3 ADE D 11-13. 197-19. 959-11. 436 1. 00 79. 25 D ATOM 2125 C2 ADE D 11-14. 281-20. 709-11. 230 1. 00 79. 34 D ATOM 2126 N1 ADE D 11-14. 506-21. 639-10. 291 1. 00 78. 95 D ATOM 2127 C6 ADE D 11-13. 534-21. 892-9. 388 1. 00 79. 00 D ATOM 2128 N6 ADE D 11-13. 751-22. 828-8. 464 1. 00 77. 07 D ATOM 2129 C5 ADE D 11-12. 340-21. 153-9. 487 1. 00 78. 58 D ATOM 2130 N7 ADE D 11-11. 176-21. 156-8. 728 1. 00 79. 16 D ATOM 2131 C8 ADE D 11-10. 412-20. 268-9. 323 1. 00 80. 95 D ATOM 2132 C2'ADE D 11-9. 666-17. 545-10. 749 1. 00 73. 81 D ATOM 2133 C5'ADE D 11-7. 028-19. 280-11. 736 1. 00 72. 40 D ATOM 2134 C4'ADE D 11-8. 249-18. 620-12. 334 1. 00 73. 16 D ATOM 2135 04'ADE D 11-9. 409-19. 450-12. 128 1. 00 73. 45 D ATOM 2136 C1'ADE D 11-10. 393-18. 735-11. 378 1. 00 76. 83 D ATOM 2137 C3'ADE D 11-8. 631-17. 231-11. 816 1. 00 73. 62 D ATOM 2138 03'ADE D 11-9. 204-16. 494-12. 923 1. 00 71. 62 D ATOM 2139 P THY D 12-9. 469-14. 909-12. 804 1. 00 66. 33 D ATOM 2140 O1P THY D 12-9. 033-14. 518-11. 439 1. 00 69. 10 D ATOM 2141 02P THY D 12-8. 872-14. 243-13. 977 1. 00 69. 08 D ATOM 2142 05'THY D 12-11. 050-14. 806-12. 954 1. 00 65. 62 D ATOM 2143 N1 THY D 12-14. 262-17. 166-9. 625 1. 00 72. 04 D ATOM 2144 C6 THY D 12-13. 075-17. 201-8. 923 1. 00 69. 97 D ATOM 2145 C2 THY D 12-15. 271-18. 073-9. 361 1. 00 70. 66 D ATOM 2146 02 THY D 12-16. 343-18. 088-9. 957 1. 00 71. 21 D ATOM 2147 N3 THY D 12-14. 977-18. 972-8. 365 1. 00 68. 80 D ATOM 2148 C4 THY D 12-13. 809-19. 065-7. 633 1. 00 67. 39 D ATOM 2149 04 THY D 12-13. 684-19. 941-6. 769 1. 00 63. 15 D ATOM 2150 C5 THY D 12-12. 803-18. 097-7. 966 1. 00 67. 91 D ATOM 2151 C5A THY D 12-11. 498-18. 140-7. 244 1. 00 68. 48 D ATOM 2152 C2'THY D 12-13. 840-14. 794-10. 490 1. 00 71. 21 D ATOM 2153 C5'THY D 12-11. 843-15. 920-12. 571 1. 00 69. 48 D ATOM 2154 C4'THY D 12-13. 319-15. 608-12. 642 1. 00 70. 61 D ATOM 2155 04'THY D 12-13. 994-16. 666-11. 920 1. 00 70. 88 D ATOM 2156 Cl'THY D 12-14. 502-16. 154-10. 688 1. 00 72. 22 D ATOM 2157 C3'THY D 12-13. 744-14. 327-11. 932 1. 00 71. 73 D ATOM 2158 03'THY D 12-15. 066-13. 987-12. 389 1. 00 72. 06 D ATOM 2159 P ADE D 13-15. 272-12. 962-13. 607 1. 00 71. 52 D ATOM 2160 O1P ADE D 13-14. 732-11. 637-13. 195 1. 00 68. 60 D ATOM 2161 02P ADE D 13-14. 759-13. 631-14. 836 1. 00 73. 41 D ATOM 2162 05'ADE D 13-16. 860-12. 871-13. 749 1. 00 69. 42 D ATOM 2163 N9 ADE D 13-18. 712-13. 845-10. 679 1. 00 58. 36 D ATOM 2164 C4 ADE D 13-18. 730-14. 761-9. 656 1. 00 56. 77 D ATOM 2165 N3 ADE D 13-19. 635-15. 731-9. 442 1. 00 59. 26 D ATOM 2166 C2 ADE D 13-19. 285-16. 474-8. 390 1. 00 58. 48 D ATOM 2167 N1 ADE D 13-18. 211-16. 364-7-597 1. 00 54. 35 D ATOM 2168 C6 ADE D 13-17. 329-15. 377-7. 843 1. 00 53. 79 D ATOM 2169 N6 ADE D 13-16. 248-15. 272-7. 062 1. 00 53. 69 D ATOM 2170 C5 ADE D 13-17. 591-14. 518-8. 914 1. 00 55. 46 D ATOM 2171 N7 ADE D 13-16. 902-13. 427-9. 417 1. 00 56. 52 D ATOM 2172 C8 ADE D 13-17. 617-13. 056-10. 452 1. 00 56. 89 D ATOM 2173 C2'ADE D 13-19. 734-12. 383-12 458 1. 00 65. 36 D ATOM 2174 C5'ADE D 13-17. 574-13. 796-14. 582 1. 00 67. 14 D ATOM 2175 C4'ADE D 13-19. 008-13. 952-14. 125 1. 00 65. 96 D ATOM 2176 04'ADE D 13-19. 060-14. 624-12. 843 1. 00 65. 68 D ATOM 2177 C1'ADE D 13-19. 618-13. 774-11. 829 1. 00 63. 73 D ATOM 2178 C3'ADE D 13-19. 808-12. 661-13. 955 1. 00 66. 20 D ATOM 2179 03'ADE D 13-21. 154-12. 875-14. 402 1. 00 67. 48 D ATOM 2180 P GUA D 14-22. 324-11. 887-13. 918 1. 00 68. 79 D ATOM 2181 O1P GUA D 14-21. 789-10. 499-13. 807 1. 00 66. 66 D ATOM 2182 02P GUA D 14-23. 542-12. 156-14. 726 1. 00 64. 50 D ATOM 2183 05'GUA D 14-22. 617-12. 387-12. 445 1. 00 69. 91 D ATOM 2184 N9 GUA D 14-21. 575-12. 354-8. 421 1. 00 63. 14 D ATOM 2185 C4 GUA D 14-21. 019-13. 123-7. 439 1. 00 61. 46 D ATOM 2186 N3 GUA D 14-21. 601-14. 191-6. 861 1. 00 63. 00 D ATOM 2187 C2 GUA D 14-20. 833-14. 738-5. 948 1. 00 64. 26 D ATOM 2188 N2 GUA D 14-21. 256-15. 845-5. 309 1. 00 66. 37 D ATOM 2189 N1 GUA D 14-19. 597-14. 253-5. 602 1. 00 63. 01 D ATOM 2190 C6 GUA D 14-18. 985-13. 143-6. 174 1. 00 62. 40 D ATOM 2191 06 GUA D 14-17. 879-12. 773-5. 759 1. 00 64. 32 D ATOM 2192 C5 GUA D 14-19. 787-12. 574-7. 187 1. 00 60. 09 D ATOM 2193 N7 GUA D 14-19. 554-11. 495-8. 023 1. 00 60. 85 D ATOM 2194 C8 GUA D 14-20. 646-11. 400-8. 736 1. 00 62. 29 D ATOM 2195 C2'GUA D 14-23. 537-11. 401-9. 735 1. 00 73. 05 D ATOM 2196 C5'GUA D 14-23 433-13. 518-12. 224 1. 00 71. 65 D ATOM 2197 C4'GUA D 14-23. 963-13. 478-10. 816 1. 00 73. 69 D ATOM 2198 04'GUA D 14-22. 863-13. 615-9. 889 1. 00 73. 10 D ATOM 2199 C1'GUA D 14-22. 910-12. 543-8. 973 1. 00 68. 22 D ATOM 2200 C3'GUA D 14-24. 639-12. 158-10. 459 1. 00 76. 67 D ATOM 2201 03'GUA D 14-25. 684-12. 484-9. 548 1. 00 85. 23 D ATOM 2202 P CYT D 15-27. 008-11 573-9. 455 1. 00 91. 11 D ATOM 2203 O1P CYT D 15-26. 720-10. 159-9. 871 1. 00 87. 18 D ATOM 2204 02P CYT D 15-28. 106-12. 332-10. 125 1. 00 89. 37 D ATOM 2205 05'CYT D 15-27. 226-11. 597-7. 885 1. 00 92. 84 D ATOM 2206 N1 CYT D 15-23. 508-12. 035-4. 364 1. 00 99. 72 D ATOM 2207 C6 CYT D 15-23. 370-10. 885-5. 094 1. 00 98. 76 D ATOM 2208 C2 CYT D 15-22. 409-12. 607-3. 743 1. 00 98. 36 D ATOM 2209 02 CYT D 15-22. 573-13. 649-3. 097 1. 00 98. 13 D ATOM 2210 N3 CYT D 15-21. 197-12. 016-3. 859 1. 00 97. 63 D ATOM 2211 C4 CYT D 15-21. 069-10. 892-4. 563 1. 00 97. 76 D ATOM 2212 N4 CYT D 15-19. 859-10. 338-4. 637 1. 00 97. 56 D ATOM 2213 C5 CYT D 15-22. 180-10. 285-5. 219 1. 00 98. 25 D ATOM 2214 C2'CYT D 15-25. 948-11. 714-3. 893 1. 00105. 53 D ATOM 2215 C5'CYT D 15-26. 096-11. 794-7. 057 1. 00 98. 71 D ATOM 2216 C4'CYT D 15-26. 398-12. 794-5. 971 1. 00103. 18 D ATOM 2217 04'CYT D 15-25. 139-13. 288-5. 467 1. 00103. 82 D ATOM 2218 C1'CYT D 15-24. 822-12. 689-4. 218 1. 00102. 25 D ATOM 2219 C3'CYT D 15-27. 100-12. 158-4. 780 1. 00107. 55 D ATOM 2220 03'CYT D 15-27. 956-13. 105-4. 133 1. 00114. 24 D ATOM 2221 P THY D 16-28. 776-12. 670-2. 816 1. 00119-13 D ATOM 2222 O1P THY D 16-29. 352-11. 313-3. 076 1. 00117. 04 D ATOM 2223 02P THY D 16-29. 685-13. 799-2. 466 1. 00118. 19 D ATOM 2224 05'THY D 16-27. 637-12. 555-1. 701 1. 00121. 34 D ATOM 2225 N1 THY D 16-24. 150-10. 973-0. 045 1. 00132. 57 D ATOM 2226 C6 THY D 16-24. 852-10. 227-0. 964 1. 00133. 06 D ATOM 2227 C2 THY D 16-22. 784-10. 897 0. 041 1. 00132. 70 D ATOM 2228 02 THY D 16-22. 131-11. 547 0. 835 1. 00133. 02 D ATOM 2229 N3 THY D 16-22. 207-10. 030-0. 848 1. 00132. 78 D ATOM 2230 C4 THY D 16-22. 845-9. 253-1. 795 1. 00132. 75 D ATOM 2231 04 THY D 16-22. 190-8. 515-2. 527 1. 00132. 27 D ATOM 2232 C5 THY D 16-24. 278-9. 387-1. 832 1. 00133. 36 D ATOM 2233 C5A THY D 16-25. 056-8. 591-2. 830 1. 00135. 01 D ATOM 2234 C2'THY D 16-25. 833-11. 172 1. 827 1. 00132. 63 D ATOM 2235 C5'THY D 16-27. 921-12. 121-0. 374 1. 00127. 17 D ATOM 2236 C4'THY D 16-27. 002-12. 826 0. 597 1. 00130. 46 D ATOM 2237 04'THY D 16-25. 651-12. 766 0. 077 1. 00132. 24 D ATOM 2238 C1'THY D 16-24. 864-11. 880 0. 874 1. 00132. 57 D ATOM 2239 C3'THY D 16-26. 939-12. 200 1. 990 1. 00131. 65 D ATOM 2240 03'THY D 16-26. 445-13. 179 2. 936 1. 00131. 00 D ATOM 2241 C GLY R 2 11. 979 17. 372 29. 075 1. 00116. 79 R ATOM 2242 O GLY R 2 12. 489 16. 243 29. 084 1. 00117. 67 R ATOM 2243 N GLY R 2 12. 128 17. 350 26. 576 1. 00116. 76 R ATOM 2244 CA GLY R 2 11. 495 17. 990 27. 773 1. 00116. 87 R ATOM 2245 N ARG R 3 11. 826 18. 110 30. 174 1. 00115. 36 R ATOM 2246 CA ARG R 3 12. 244 17. 641 31. 496 1. 00113. 83 R ATOM 2247 CB ARG R 3 11. 992 18. 724 32. 547 1. 00114. 61 R ATOM 2248 CG ARG R 3 12. 871 19. 941 32. 429 1. 00116. 10 R ATOM 2249 CD ARG R 3 12. 671 20. 837 33. 636 1. 00118. 32 R ATOM 2250 NE ARG R 3 13. 590 21. 971 33. 641 1. 00119. 92 R ATOM 2251 CZ ARG R 3 13. 702 22. 832 34. 646 1. 00119. 29 R ATOM 2252 NH1 ARG R 3 12. 949 22. 684 35. 728 1. 00118. 65 R ATOM 2253 NH2 ARG R 3 14. 569 23. 833 34. 570 1. 00118. 80 R ATOM 2254 C ARG R 3 11. 535 16. 361 31. 942 1. 00111. 13 R ATOM 2255 0 ARG R 3 11. 891 15. 778 32. 967 1. 00110. 52 R ATOM 2256 N LYS R 4 10. 536 15. 934 31. 178 1. 00108. 95 R ATOM 2257 CA LYS R 4 9. 783 14. 739 31. 517 1. 00107. 48 R ATOM 2258 CB LYS R 4 8. 580 15. 144 32. 381 1. 00108. 35 R ATOM 2259 CG LYS R 4 7. 861 14. 005 33. 116 1. 00109. 66 R ATOM 2260 CD LYS R 4 8. 371 13. 830 34. 554 1. 00110. 42 R ATOM 2261 CE LYS R 4 7. 552 12. 779 35. 309 1. 00110. 39 R ATOM 2262 NZ LYS R 4 8. 016 12. 574 36. 712 1. 00110. 68 R ATOM 2263 C LYS R 4 9. 321 14. 055 30. 230 1. 00105. 29 R ATOM 2264 O LYS R 4 9. 048 14. 728 29. 235 1. 00104. 84 R ATOM 2265 N LYS R 5 9. 251 12. 727 30. 241 1. 00102. 96 R ATOM 2266 CA LYS R 5 8. 798 11. 988 29. 069 1. 00102. 05 R ATOM 2267 CB LYS R 5 9. 207 10. 520 29. 162 1. 00102 23 R ATOM 2268 CG LYS R 5 8. 743 9. 652 27. 987 1. 00101. 87 R ATOM 2269 CD LYS R 5 9. 300 8. 229 28. 089 1. 00102. 39 R ATOM 2270 CE LYS R 5 8. 981 7. 386 26. 857 1. 00101. 74 R ATOM 2271 NZ LYS R 5 7. 520 7. 210 26. 638 1. 00100. 94 R ATOM 2272 C LYS R 5 7. 283 12. 085 28. 993 1. 00101. 07 R ATOM 2273 0 LYS R 5 6. 611 12. 086 30. 015 1. 00101. 10 R ATOM 2274 N ILE R 6 6. 748 12. 184 27. 780 1. 00100. 65 R ATOM 2275 CA ILE R 6 5. 306 12. 299 27. 583 1. 00 99. 81 R ATOM 2276 CB ILE R 6 4. 903 13. 731 27. 160 1. 00 99. 63 R ATOM 2277 CG2 ILE R 6 5. 298 14. 725 28. 239 1. 00 99. 66 R ATOM 2278 CG1 ILE R 6 5. 572 14. 095 25. 830 1. 00 98. 99 R ATOM 2279 CD1 ILE R 6 4. 992 15. 326 25. 158 1. 00 98. 51 R ATOM 2280 C ILE R 6 4. 778 11. 346 26. 526 1. 00 99. 89 R ATOM 2281 O ILE R 6 5. 326 11. 256 25. 431 1. 00100. 27 R ATOM 2282 N GLN R 7 3. 699 10. 647 26. 856 1. 00 99. 65 R ATOM 2283 CA GLN R 7 3. 085 9. 708 25. 925 1. 00100. 30 R ATOM 2284 CB GLN R 7 2. 119 8. 766 26. 661 1. 00100. 54 R ATOM 2285 CG GLN R 7 2. 749 8. 003 27. 811 1. 00100. 47 R ATOM 2286 CD GLN R 7 3. 962 7. 208 27. 373 1. 00 99. 68 R ATOM 2287 OE1 GLN R 7 3. 850 6. 246 26. 601 1. 00 99. 59 R ATOM 2288 NE2 GLN R 7 5. 137 7. 614 27. 856 1. 00 98. 50 R ATOM 2289 C GLN R 7 2. 310 10. 491 24. 870 1. 00100-66 R ATOM 2290 O GLN R 7 1. 495 11. 346 25. 205 1. 00101. 72 R ATOM 2291 N ILE R 8 2. 561 10. 207 23. 600 1. 00100. 73 R ATOM 2292 CA ILE R 8 1. 847 10. 892 22. 540 1. 00 99. 89 R ATOM 2293 CB ILE R 8 2. 479 10. 634 21. 158 1. 00 98. 79 R ATOM 2294 CG2 ILE R 8 1. 544 11. 120 20. 069 1. 00 97. 48 R ATOM 2295 CG1 ILE R 8 3. 817 11. 377 21. 037 1. 00 99. 31 R ATOM 2296 CD1 ILE R 8 4. 906 10. 912 21. 989 1. 00 98. 22 R ATOM 2297 C ILE R 8 0. 398 10. 430 22. 527 1. 00100. 44 R ATOM 2298 0 ILE R 8 0. 079 9. 322 22. 115 1. 00101. 26 R ATOM 2299 N SER R 9-0. 470 11. 302 23. 018 1. 00101. 47 R ATOM 2300 CA SER R 9-1. 908 11. 072 23. 074 1. 00102. 61 R ATOM 2301 CB SER R 9-2. 244 10. 007 24. 118 1. 00103. 13 R ATOM 2302 OG SER R 9-1. 761 10. 370 25. 403 1. 00102. 94 R ATOM 2303 C SER R 9-2. 545 12. 417 23. 446 1. 00102. 47 R ATOM 2304 O SER R 9-2. 044 13. 131 24. 320 1. 00101. 87 R ATOM 2305 N ARG R 10-3. 632 12. 758 22. 763 1. 00102. 86 R ATOM 2306 CA ARG R 10-4. 326 14. 020 22. 976 1. 00104. 66 R ATOM 2307 CB ARG R 10-5. 825 13. 838 22. 743 1. 00106. 07 R ATOM 2308 CG ARG R 10-6. 598 15. 150 22. 601 1. 00108. 87 R ATOM 2309 CD ARG R 10-8. 106 14. 915 22. 643 1. 00111. 31 R ATOM 2310 NE ARG R 10-8. 877 16. 031 22. 098 1. 00113. 72 R ATOM 2311 CZ ARG R 10-8. 836 17. 278 22. 565 1. 00116. 06 R ATOM 2312 NH1 ARG R 10-8. 056 17. 586 23. 601 1. 00117. 17 R ATOM 2313 NH2 ARG R 10-9. 579 18. 223 21. 998 1. 00117. 25 R ATOM 2314 C ARG R 10-4. 112 14. 633 24. 351 1. 00104. 80 R ATOM 2315 O ARG R 10-4. 680 14. 168 25. 334 1. 00105. 40 R ATOM 2316 N ILE R 11-3. 280 15. 671 24. 416 1. 00104. 88 R ATOM 2317 CA ILE R 11-3. 020 16. 381 25. 671 1. 00104. 80 R ATOM 2318 CB ILE R 11-2. 118 17. 618 25. 445 1. 00104. 47 R ATOM 2319 CG2 ILE R 11-1. 987 18. 419 26. 731 1. 00103. 55 R ATOM 2320 CG1 ILE R 11-0. 747 17. 168 24. 924 1. 00104. 35 R ATOM 2321 CD1 ILE R 11 0. 161 18. 308 24. 485 1. 00103. 56 R ATOM 2322 C ILE R 11-4. 384 16. 850 26. 164 1. 00105. 76 R ATOM 2323 O ILE R 11-5. 145 17. 457 25. 406 1. 00105. 99 R ATOM 2324 N LEU R 12-4. 697 16. 561 27. 422 1. 00106. 28 R ATOM 2325 CA LEU R 12-5 994 16. 931 27. 968 1. 00106. 76 R ATOM 2326 CB LEU R 12-6. 316 16. 034 29. 160 1. 00105. 85 R ATOM 2327 CG LEU R 12-6. 606 14. 589 28. 750 1. 00105. 30 R ATOM 2328 CD1 LEU R 12-7. 029 13. 793 29. 982 1. 00105. 07 R ATOM 2329 CD2 LEU R 12-7. 693 14. 566 27. 667 1. 00104. 16 R ATOM 2330 C LEU R 12-6. 159 18. 395 28. 344 1. 00107. 40 R ATOM 2331 O LEU R 12-7. 021 19. 088 27. 798 1. 00106. 47 R ATOM 2332 N ASP R 13-5. 342 18. 861 29. 278 1. 00108-80 R ATOM 2333 CA ASP R 13-5. 405 20-248 29. 711 1. 00111. 24 R ATOM 2334 CB ASP R 13-4. 252 20. 560 30. 672 1. 00112. 54 R ATOM 2335 CG ASP R 13-4. 060 22. 065 30. 890 1. 00113. 81 R ATOM 2336 OD1 ASP R 13-5. 045 22. 756 31. 239 1. 00114. 31 R ATOM 2337 OD2 ASP R 13-2. 923 22. 559 30. 711 1. 00114. 89 R ATOM 2338 C ASP R 13-5. 348 21. 185 28. 513 1. 00111. 79 R ATOM 2339 O ASP R 13-4. 310 21. 334 27. 879 1. 00110. 86 R ATOM 2340 N GLN R 14-6. 474 21. 819 28. 213 1. 00114 52 R ATOM 2341 CA GLN R 14-6. 560 22. 736 27. 086 1. 00117. 72 R ATOM 2342 CB GLN R 14-7. 938 23. 400 27. 044 1. 00118. 14 R ATOM 2343 CG GLN R 14-8. 183 24. 212 25. 774 1. 00119. 50 R ATOM 2344 CD GLN R 14-8. 671 25. 623 26. 064 1. 00119. 89 R ATOM 2345 OE1 GLN R 14-7. 986 26. 404 26. 722 1. 00119. 45 R ATOM 2346 NE2 GLN R 14-9. 858 25. 953 25. 573 1. 00119. 25 R ATOM 2347 C GLN R 14-5. 481 23. 810 27. 128 1. 00119. 27 R ATOM 2348 O GLN R 14-5. 119 24. 372 26. 098 1. 00119. 06 R ATOM 2349 N ARG R 15-4. 975 24. 103 28. 319 1. 00122. 09 R ATOM 2350 CA ARG R 15-3. 932 25. 110 28. 466 1. 00125. 01 R ATOM 2351 CB ARG R 15-3. 654 25. 395 29. 945 1. 00127. 64 R ATOM 2352 CG ARG R 15-4. 823 25. 956 30. 737 1. 00131. 33 R ATOM 2353 CD ARG R 15-4. 399 26. 221 32. 181 1. 00134. 17 R ATOM 2354 NE ARG R 15-5. 497 26. 711 33. 015 1. 00136. 57 R ATOM 2355 CZ ARG R 15-6. 106 27. 884 32. 857 1. 00136. 60 R ATOM 2356 NH1 ARG R 15-5. 733 28. 710 31. 887 1. 00137. 23 R ATOM 2357 NH2 ARG R 15-7. 089 28. 233 33. 677 1. 00136. 67 R ATOM 2358 C ARG R 15-2. 661 24. 580 27. 831 1. 00124. 93 R ATOM 2359 0 ARG R 15-2. 121 25. 167 26. 898 1. 00125. 27 R ATOM 2360 N ASN R 16-2. 197 23. 457 28. 367 1. 00126. 04 R ATOM 2361 CA ASN R 16-0. 986 22. 787 27. 915 1. 00126. 41 R ATOM 2362 CB ASN R 16-0. 678 21. 624 28. 872 1. 00126. 96 R ATOM 2363 CG ASN R 16 0. 570 20. 853 28. 492 1. 00128. 01 R ATOM 2364 OD1 ASN R 16 0. 541 19. 998 27. 599 1. 00128. 75 R ATOM 2365 ND2 ASN R 16 1. 680 21. 152 29. 171 1. 00128. 16 R ATOM 2366 C ASN R 16-1. 110 22. 292 26. 469 1. 00125. 39 R ATOM 2367 O ASN R 16-0. 143 22. 331 25. 712 1. 00125. 95 R ATOM 2368 N ARG R 17-2. 297 21. 841 26. 077 1. 00124. 08 R ATOM 2369 CA ARG R 17-2. 492 21. 357 24. 716 1. 00122. 51 R ATOM 2370 CB ARG R 17-3. 873 20. 718 24. 570 1. 00124. 09 R ATOM 2371 CG ARG R 17-4. 039 19. 894 23. 302 1. 00125. 41 R ATOM 2372 CD ARG R 17-5. 443 19. 303 23. 184 1. 00127. 25 R ATOM 2373 NE ARG R 17-6. 464 20. 329 22. 967 1. 00129. 22 R ATOM 2374 CZ ARG R 17-7. 386 20. 690 23. 859 1. 00130. 04 R ATOM 2375 NH1 ARG R 17-7. 429 20. 105 25. 054 1. 00130. 23 R ATOM 2376 NH2 ARG R 17-8. 265 21. 642 23. 555 1. 00129. 80 R ATOM 2377 C ARG R 17-2. 344 22. 501 23. 722 1. 00119. 69 R ATOM 2378 O ARG R 17-2. 074 22. 277 22. 554 1. 00119. 15 R ATOM 2379 N GLN R 18-2. 522 23. 727 24. 195 1. 00118. 13 R ATOM 2380 CA GLN R 18-2. 398 24. 909 23. 347 1. 00116. 66 R ATOM 2381 CB GLN R 18-3. 355 26. 007 23. 827 1. 00117. 57 R ATOM 2382 CG GLN R 18-3. 179 27. 363 23. 131 1. 00118. 00 R ATOM 2383 CD GLN R 18-3. 438 27. 315 21. 627 1-00118. 29 R ATOM 2384 OE1 GLN R 18-4-513 26. 898 21. 174 1. 00117. 22 R ATOM 2385 NE2 GLN R 18-2. 451 27. 756 20. 847 1. 00116. 90 R ATOM 2386 C GLN R 18-0. 964 25. 439 23. 338 1. 00113. 81 R ATOM 2387 0 GLN R 18-0. 496 25. 957 22. 329 1. 00113. 52 R ATOM 2388 N VAL R 19-0. 276 25. 312 24. 468 1. 00111. 30 R ATOM 2389 CA VAL R 19 1. 112 25. 763 24. 590 1. 00109. 17 R ATOM 2390 CB VAL R 19 1. 643 25. 586 26. 038 1. 00108. 44 R ATOM 2391 CG1 VAL R 19 3. 015 26. 224 26. 181 1. 00106. 62 R ATOM 2392 CG2 VAL R 19 0. 665 26. 158 27. 023 1. 00109. 43 R ATOM 2393 C VAL R 19 1. 971 24. 882 23. 675 1. 00107. 73 R ATOM 2394 O VAL R 19 2. 786 25. 371 22. 877 1. 00108. 20 R ATOM 2395 N THR R 20 1. 768 23. 571 23. 811 1. 00105. 07 R ATOM 2396 CA THR R 20 2. 496 22. 562 23. 052 1. 00101. 51 R ATOM 2397 CB THR R 20 2. 108 21. 146 23. 530 1. 00100. 88 R ATOM 2398 OG1 THR R 20 2. 585 20. 957 24. 862 1. 00 99. 30 R ATOM 2399 CG2 THR R 20 2. 691 20. 090 22. 638 1. 00 99. 09 R ATOM 2400 C THR R 20 2. 269 22. 665 21. 546 1-00 99. 79 R ATOM 2401 O THR R 20 3. 221 22. 593 20. 764 1. 00100. 00 R ATOM 2402 N PHE R 21 1. 016 22. 826 21. 134 1. 00 96. 42 R ATOM 2403 CA PHE R 21 0. 731 22. 930 19. 717 1. 00 93. 68 R ATOM 2404 CB PHE R 21-0. 699 23. 387 19. 479 1. 00 89. 68 R ATOM 2405 CG PHE R 21-1. 044 23. 582 18. 025 1. 00 85. 86 R ATOM 2406 CD1 PHE R 21-1. 413 22 506 17. 228 1. 00 83. 30 R ATOM 2407 CD2 PHE R 21-1. 016 24. 847 17. 462 1. 00 83. 91 R ATOM 2408 CE1 PHE R 21-1. 753 22. 691 15. 901 1. 00 80. 22 R ATOM 2409 CE2 PHE R 21-1. 356 25. 040 16. 130 1. 00 81. 91 R ATOM 2410 CZ PHE R 21-1. 725 23. 962 15. 351 1. 00 80. 78 R ATOM 2411 C PHE R 21 1. 672 23. 952 19. 125 1. 00 94. 22 R ATOM 2412 O PHE R 21 2. 473 23. 637 18. 254 1. 00 95. 11 R ATOM 2413 N THR R 22 1. 578 25. 180 19. 612 1. 00 94. 51 R ATOM 2414 CA THR R 22 2. 416 26. 257 19. 101 1. 00 95. 70 R ATOM 2415 CB THR R 22 2. 193 27. 562 19. 906 1. 00 95. 99 R ATOM 2416 OG1 THR R 22 0. 885 28. 082 19. 616 1. 00 96. 12 R ATOM 2417 CG2 THR R 22 3. 237 28. 607 19. 538 1. 00 96. 12 R ATOM 2418 C THR R 22 3. 909 25. 938 19. 051 1. 00 94. 66 R ATOM 2419 O THR R 22 4. 553 26. 148 18. 016 1. 00 94. 87 R ATOM 2420 N LYS R 23 4. 463 25. 445 20. 157 1. 00 94. 10 R ATOM 2421 CA LYS R 23 5. 889 25. 103 20. 203 1. 00 93. 19 R ATOM 2422 CB LYS R 23 6. 264 24. 470 21. 542 1. 00 95. 68 R ATOM 2423 CG LYS R 23 6. 411 25. 442 22. 707 1. 00 98. 30 R ATOM 2424 CD LYS R 23 6. 921 24. 708 23. 951 1. 00100. 51 R ATOM 2425 CE LYS R 23 7. 173 25. 660 25. 123 1. 00100. 43 R ATOM 2426 NZ LYS R 23 7. 706 24. 957 26. 323 1. 00100. 25 R ATOM 2427 C LYS R 23 6. 268 24. 130 19. 098 1. 00 90. 45 R ATOM 2428 O LYS R 23 7. 105 24. 433 18. 246 1. 00 90. 68 R ATOM 2429 N ARG R 24 5. 645 22. 955 19 117 1. 00 87. 19 R ATOM 2430 CA ARG R 24 5. 922 21. 941 18. 111 1. 00 83. 78 R ATOM 2431 CB ARG R 24 5. 126 20. 676 18. 405 1. 00 84. 03 R ATOM 2432 CG ARG R 24 5. 773 19. 841 19. 479 1. 00 85. 69 R ATOM 2433 CD ARG R 24 4. 821 18. 841 20. 052 1. 00 89. 28 R ATOM 2434 NE ARG R 24 5. 520 17. 880 20. 899 1. 00 92. 26 R ATOM 2435 CZ ARG R 24 6. 134 16. 798 20. 435 1. 00 94. 61 R ATOM 2436 NH1 ARG R 24 6. 126 16. 543 19. 131 1. 00 95. 25 R ATOM 2437 NH2 ARG R 24 6. 760 15. 976 21. 269 1. 00 96. 02 R ATOM 2438 C ARG R 24 5. 658 22. 418 16. 696 1. 00 79. 89 R ATOM 2439 O ARG R 24 6. 565 22. 460 15. 883 1. 00 80. 38 R ATOM 2440 N LYS R 25 4. 423 22. 779 16. 397 1. 00 76. 27 R ATOM 2441 CA LYS R 25 4. 110 23. 259 15. 065 1. 00 74. 27 R ATOM 2442 CB LYS R 25 2. 894 24. 192 15. 080 1. 00 77. 60 R ATOM 2443 CG LYS R 25 2. 727 25. 004 13. 767 1. 00 80. 47 R ATOM 2444 CD LYS R 25 1. 366 25. 699 13. 656 1. 00 80. 43 R ATOM 2445 CE LYS R 25 1. 176 26. 711 14. 764 1. 00 81. 07 R ATOM 2446 NZ LYS R 25 2. 248 27. 735 14. 725 1. 00 81. 39 R ATOM 2447 C LYS R 25 5. 280 24. 020 14. 488 1. 00 71. 30 R ATOM 2448 O LYS R 25 5. 568 23. 912 13. 310 1. 00 72. 37 R ATOM 2449 N PHE R 26 5. 961 24. 797 15. 320 1. 00 67. 49 R ATOM 2450 CA PHE R 26 7. 078 25. 579 14. 830 1. 00 63. 50 R ATOM 2451 CB PHE R 26 7. 554 26. 609 15. 840 1. 00 56. 57 R ATOM 2452 CG PHE R 26 8. 682 27. 426 15. 329 1. 00 49. 29 R ATOM 2453 CD1 PHE R 26 8. 494 28. 273 14. 245 1. 00 48. 39 R ATOM 2454 CD2 PHE R 26 9. 946 27. 293 15. 859 1. 00 45. 86 R ATOM 2455 CE1 PHE R 26 9. 577 28. 979 13. 686 1. 00 48. 82 R ATOM 2456 CE2 PHE R 26 11. 040 27. 989 15. 315 1. 00 45. 86 R ATOM 2457 CZ PHE R 26 10. 860 28. 834 14. 225 1. 00 46. 83 R ATOM 2458 C PHE R 26 8. 237 24. 692 14. 491 1. 00 64. 69 R ATOM 2459 0 PHE R 26 8. 736 24. 707 13. 359 1. 00 65. 31 R ATOM 2460 N GLY R 27 8. 674 23. 924 15. 483 1. 00 66. 48 R ATOM 2461 CA GLY R 27 9. 782 23. 004 15. 271 1. 00 65. 45 R ATOM 2462 C GLY R 27 9. 543 22. 123 14. 058 1. 00 63. 14 R ATOM 2463 0 GLY R 27 10. 443 21. 893 13. 269 1. 00 64. 93 R ATOM 2464 N LEU R 28 8. 325 21. 628 13. 908 1. 00 59. 75 R ATOM 2465 CA LEU R 28 7. 992 20. 802 12. 776 1. 00 59. 13 R ATOM 2466 CB LEU R 28 6. 509 20. 452 12. 790 1. 00 54. 10 R ATOM 2467 CG LEU R 28 6. 006 19. 530 11. 689 1. 00 52. 49 R ATOM 2468 CD1 LEU R 28 6. 362 18. 120 11. 992 1. 00 51. 54 R ATOM 2469 CD2 LEU R 28 4. 535 19. 634 11. 604 1. 00 51. 61 R ATOM 2470 C LEU R 28 8. 320 21. 575 11. 514 1. 00 61. 76 R ATOM 2471 O LEU R 28 9 000 21. 059 10. 642 1. 00 65. 41 R ATOM 2472 N MET R 29 7. 834 22. 807 11. 414 1. 00 63. 87 R ATOM 2473 CA MET R 29 8. 065 23. 639 10. 235 1. 00 64. 83 R ATOM 2474 CB MET R 29 7. 308 24. 962 10. 346 1. 00 68. 21 R ATOM 2475 CG MET R 29 5-824 24. 807 10. 621 1. 00 70. 64 R ATOM 2476 SD MET R 29 4. 971 26. 360 10. 525 1. 00 72. 46 R ATOM 2477 CE MET R 29 3. 825 26. 040 9. 184 1. 00 72. 26 R ATOM 2478 C MET R 29 9. 539 23. 927 10. 099 1. 00 64. 81 R ATOM 2479 O MET R 29 10. 057 24. 065 8. 996 1. 00 65. 46 R ATOM 2480 N LYS R 30 10. 215 24-037 11. 234 1. 00 65. 67 R ATOM 2481 CA LYS R 30 11. 647 24. 303 11. 233 1. 00 66. 99 R ATOM 2482 CB LYS R 30 12. 181 24. 421 12. 663 1. 00 69. 62 R ATOM 2483 CG LYS R 30 13 671 24. 744 12. 747 1. 00 73. 01 R ATOM 2484 CD LYS R 30 14. 114 24. 830 14. 209 1. 00 75. 96 R ATOM 2485 CE LYS R 30 15. 590 25. 154 14. 298 1. 00 78. 22 R ATOM 2486 NZ LYS R 30 16. 036 25. 173 15. 730 1. 00 81. 77 R ATOM 2487 C LYS R 30 12. 319 23. 137 10. 525 1. 00 65. 51 R ATOM 2488 0 LYS R 30 13_77 23. 341 9. 579 1. 00 65. 87 R ATOM 2489 N LYS R 31 12. 027 21. 918 10. 984 1. 00 63. 97 R ATOM 2490 CA LYS R 31 12. 588 20. 708 10. 378 1. 00 62. 50 R ATOM 2491 CB LYS R 31 12. 127 19. 449 11. 133 1. 00 60. 40 R ATOM 2492 CG LYS R 31 12. 934 19. 233 12. 424 1. 00 59. 53 R ATOM 2493 CD LYS R 31 13. 078 17. 756 12. 803 1. 00 57. 54 R ATOM 2494 CE LYS R 31 14. 087 17. 573 13. 944 1. 00 56. 38 R ATOM 2495 NZ LYS R 31 15. 398 18. 247 13. 687 1. 00 55. 58 R ATOM 2496 C LYS R 31 12. 229 20. 609 8. 894 1. 00 60. 59 R ATOM 2497 0 LYS R 31 13. 055 20. 243 8. 059 1. 00 58. 99 R ATOM 2498 N ALA R 32 10. 993 20. 950 8. 564 1. 00 58. 23 R ATOM 2499 CA ALA R 32 10. 573 20. 933 7. 175 1. 00 58. 21 R ATOM 2500 CB ALA R 32 9. 145 21. 462 7. 040 1. 00 56. 61 R ATOM 2501 C ALA R 32 11. 538 21. 833 6. 409 1. 00 58. 56 R ATOM 2502 O ALA R 32 12. 127 21. 418 5. 412 1. 00 59. 87 R ATOM 2503 N TYR R 33 11. 688 23. 069 6. 874 1. 00 56. 46 R ATOM 2504 CA TYR R 33 12. 594 24. 000 6. 234 1. 00 52. 91 R ATOM 2505 CB TYR R 33 12. 616 25. 337 7. 008 1. 00 45. 78 R ATOM 2506 CG TYR R 33 13. 979 25. 970 7. 105 1. 00 38. 00 R ATOM 2507 CD1 TYR R 33 14. 524 26. 676 6. 046 1. 00 34. 78 R ATOM 2508 CE1 TYR R 33 15. 823 27. 190 6. 117 1. 00 33. 94 R ATOM 2509 CD2 TYR R 33 14. 747 25. 800 8. 247 1. 00 38. 18 R ATOM 2510 CE2 TYR R 33 16. 035 26. 311 8. 338 1. 00 38. 06 R ATOM 2511 CZ TYR R 33 16. 570 26. 994 7. 271 1. 00 36. 09 R ATOM 2512 OH TYR R 33 17. 881 27. 405 7. 386 1. 00 41. 45 R ATOM 2513 C TYR R 33 14. 008 23. 395 6. 142 1. 00 53. 75 R ATOM 2514 O TYR R 33 14. 677 23. 525 5. 098 1. 00 57. 46 R ATOM 2515 N GLU R 34 14. 476 22. 757 7. 212 1. 00 52. 66 R ATOM 2516 CA GLU R 34 15. 817 22. 181 7. 176 1. 00 52. 99 R ATOM 2517 CB GLU R 34 16. 178 21. 546 8. 531 1. 00 54. 25 R ATOM 2518 CG GLU R 34 16. 246 22. 526 9. 697 1. 00 56. 86 R ATOM 2519 CD GLU R 34 16. 982 21. 973 10. 915 1. 00 60. 52 R ATOM 2520 OE1 GLU R 34 16. 645 20. 870 11. 406 1. 00 60. 29 R ATOM 2521 OE2 GLU R 34 17. 907 22. 657 11. 402 1. 00 64. 21 R ATOM 2522 C GLU R 34 15. 888 21. 129 6. 054 1. 00 51. 76 R ATOM 2523 O GLU R 34 16. 705 21. 220 5. 150 1. 00 51. 30 R ATOM 2524 N LEU R 35 15. 018 20. 135 6. 119 1. 00 49. 93 R ATOM 2525 CA LEU R 35 15. 013 19. 095 5. 125 1. 00 49. 39 R ATOM 2526 CB LEU R 35 13. 825 18. 149 5. 351 1. 00 45. 11 R ATOM 2527 CG LEU R 35 13. 624 17. 069 4. 275 1. 00 44. 89 R ATOM 2528 CD1 LEU R 35 14. 869 16. 212 4. 179 1. 00 45. 45 R ATOM 2529 CD2 LEU R 35 12. 404 16. 217 4. 594 1. 00 42. 57 R ATOM 2530 C LEU R 35 14. 928 19. 729 3. 751 1. 00 53. 15 R ATOM 2531 0 LEU R 35 15. 478 19. 229 2. 781 1. 00 54. 43 R ATOM 2532 N SER R 36 14. 222 20. 843 3. 668 1. 00 57. 15 R ATOM 2533 CA SER R 36 14. 032 21. 536 2. 400 1. 00 58. 93 R ATOM 2534 CB SER R 36 13. 022 22. 674 2. 547 1. 00 57. 39 R ATOM 2535 OG SER R 36 12. 973 23. 416 1. 347 1. 00 57. 06 R ATOM 2536 C SER R 36 15. 342 22. 090 1. 859 1. 00 59. 48 R ATOM 2537 O SER R 36 15. 650 21. 932 0. 666 1. 00 63. 09 R ATOM 2538 N VAL R 37 16. 118 22. 736 2. 716 1. 00 57. 15 R ATOM 2539 CA VAL R 37 17. 389 23. 280 2. 263 1. 00 59. 74 R ATOM 2540 CB VAL R 37 17. 854 24. 384 3. 205 1. 00 56 54 R ATOM 2541 CG1 VAL R 37 19. 218 24. 880 2. 805 1. 00 52. 56 R ATOM 2542 CG2 VAL R 37 16. 867 25. 490 3. 180 1. 00 55. 65 R ATOM 2543 C VAL R 37 18. 495 22. 208 2. 128 1. 00 61. 48 R ATOM 2544 O VAL R 37 19. 133 22. 094 1. 067 1. 00 59. 71 R ATOM 2545 N LEU R 38 18. 722 21. 457 3. 214 1. 00 64. 85 R ATOM 2546 CA LEU R 38 19. 714 20. 364 3. 268 1. 00 65. 05 R ATOM 2547 CB LEU R 38 19. 485 19. 479 4. 491 1. 00 64. 00 R ATOM 2548 CG LEU R 38 19. 935 19. 983 5. 848 1. 00 64. 63 R ATOM 2549 CD1 LEU R 38 19. 311 19. 115 6. 934 1. 00 65. 00 R ATOM 2550 CD2 LEU R 38 21. 453 19. 926 5. 901 1. 00 63. 85 R ATOM 2551 C LEU R 38 19. 685 19. 452 2. 049 1. 00 63. 12 R ATOM 2552 O LEU R 38 20. 711 19. 258 1. 404 1. 00 64. 86 R ATOM 2553 N CYS R 39 18. 520 18. 892 1. 745 1. 00 60. 11 R ATOM 2554 CA CYS R 39 18. 381 17. 994 0. 608 1. 00 61. 48 R ATOM 2555 CB CYS R 39 17. 549 16. 802 1. 001 1. 00 61. 37 R ATOM 2556 SG CYS R 39 18. 155 16. 010 2. 446 1. 00 61. 91 R ATOM 2557 C CYS R 39 17. 767 18. 580-0. 637 1. 00 62. 30 R ATOM 2558 O CYS R 39 17. 285 17. 846-1. 492 1. 00 59. 79 R ATOM 2559 N ASP R 40 17. 771 19. 896-0. 743 1. 00 67. 55 R ATOM 2560 CA ASP R 40 17. 213 20. 564-1. 914 1. 00 71. 58 R ATOM 2561 CB ASP R 40 18. 280 20. 635-3. 028 1. 00 74. 17 R ATOM 2562 CG ASP R 40 17. 693 21. 055-4. 378 1. 00 77. 66 R ATOM 2563 OD1 ASP R 40 17. 051 22. 137-4. 450 1. 00 80. 35 R ATOM 2564 OD2 ASP R 40 17. 859 20. 290-5. 359 1. 00 78. 87 R ATOM 2565 C ASP R 40 15. 922 19. 912-2. 459 1. 00 71. 65 R ATOM 2566 O ASP R 40 15. 933 19. 275-3. 531 1. 00 73. 27 R ATOM 2567 N CYS R 41 14. 816 20. 079-1. 730 1. 00 70. 95 R ATOM 2568 CA CYS R 41 13. 528 19. 523-2. 149 1. 00 70. 16 R ATOM 2569 CB CYS R 41 13. 278 18. 172-1. 470 1. 00 70. 61 R ATOM 2570 SG CYS R 41 13. 199 18. 300 0. 331 1. 00 75. 02 R ATOM 2571 C CYS R 41 12. 438 20. 508-1. 747 1. 00 68. 58 R ATOM 2572 O CYS R 41 12. 640 21. 323-0. 850 1. 00 67. 10 R ATOM 2573 N GLU R 42 11. 291 20. 436-2. 413 1. 00 68. 43 R ATOM 2574 CA GLU R 42 10. 171 21. 324-2. 115 1. 00 68. 57 R ATOM 2575 CB GLU R 42 9. 387 21. 641-3. 386 1. 00 72. 98 R ATOM 2576 CG GLU R 42 10. 203 22. 185-4. 544 1. 00 79. 69 R ATOM 2577 CD GLU R 42 9. 311 22. 567-5. 730 1. 00 84. 49 R ATOM 2578 OE1 GLU R 42 8. 426 23. 442-5. 541 1. 00 86. 81 R ATOM 2579 OE2 GLU R 42 9. 490 21. 992-6. 837 1. 00 85. 69 R ATOM 2580 C GLU R 42 9. 232 20. 632-1. 154 1. 00 66. 37 R ATOM 2581 O GLU R 42 8. 981 19. 435-1. 316 1. 00 67. 77 R ATOM 2582 N ILE R 43 8. 688 21. 365-0. 182 1. 00 62. 35 R ATOM 2583 CA ILE R 43 7. 769 20. 748 0. 769 1. 00 59. 48 R ATOM 2584 CB ILE R 43 8. 445 20. 422 2. 123 1. 00 59. 27 R ATOM 2585 CG2 ILE R 43 7. 562 19. 498 2. 934 1. 00 56. 62 R ATOM 2586 CG1 ILE R 43 9. 787 19. 736 1. 907 1. 00 58. 52 R ATOM 2587 CD1 ILE R 43 10. 612 19. 677 3. 145 1. 00 60. 07 R ATOM 2588 C ILE R 43 6. 609 21. 643 1. 089 1. 00 58. 15 R ATOM 2589 O ILE R 43 6. 772 22. 837 1. 199 1. 00 58. 67 R ATOM 2590 N ALA R 44 5. 441 21. 043 1. 266 1. 00 58. 26 R ATOM 2591 CA ALA R 44'4. 223 21. 755 1. 634 1. 00 57. 65 R ATOM 2592 CB ALA R 44 3. 191 21. 552 0. 606 1. 00 54. 71 R ATOM 2593 C ALA R 44 3. 732 21. 167 2. 948 1. 00 59. 17 R ATOM 2594 O ALA R 44 3. 652 19. 955 3. 077 1. 00 60. 82 R ATOM 2595 N LEU R 45 3. 414 22. 010 3. 925 1. 00 60. 28 R ATOM 2596 CA LEU R 45 2. 931 21. 509 5. 199 1. 00 59. 58 R ATOM 2597 CB LEU R 45 3. 975 21. 793 6. 267 1. 00 63. 40 R ATOM 2598 CG LEU R 45 3. 658 21. 382 7. 709 1. 00 64. 90 R ATOM 2599 CD1 LEU R 45 3. 131 19. 949 7. 714 1. 00 67. 14 R ATOM 2600 CD2 LEU R 45 4. 893 21. 516 8. 586 1. 00 63. 10 R ATOM 2601 C LEU R 45 1. 604 22. 149 5. 577 1. 00 58. 16 R ATOM 2602 0 LEU R 45 1. 560 23. 320 5. 863 1. 00 58. 25 R ATOM 2603 N ILE R 46 0. 528 21. 371 5. 577 1. 00 57. 09 R ATOM 2604 CA ILE R 46-0. 808 21. 856 5. 907 1. 00 55. 61 R ATOM 2605 CB ILE R 46-1. 811 21. 412 4. 873 1. 00 52. 45 R ATOM 2606 CG2 ILE R 46-3. 200 21. 626 5. 383 1. 00 49. 93 R ATOM 2607 CG1 ILE R 46-1. 529 22. 114 3. 557 1. 00 51. 20 R ATOM 2608 CD1 ILE R 46-2. 478 21. 714 2. 462 1. 00 49. 14 R ATOM 2609 C ILE R 46-1. 323 21. 337 7. 249 1. 00 58. 80 R ATOM 2610 O ILE R 46-1. 485 20. 137 7. 426 1. 00 56. 90 R ATOM 2611 N ILE R 47-1. 619 22. 252 8. 175 1. 00 61. 67 R ATOM 2612 CA ILE R 47-2. 113 21. 890 9. 503 1. 00 62. 34 R ATOM 2613 CB ILE R 47-1. 172 22. 376 10. 590 1. 00 59. 22 R ATOM 2614 CG2 ILE R 47-1. 456 21. 634 11. 849 1. 00 60. 86 R ATOM 2615 CG1 ILE R 47 0. 269 22. 077 10. 217 1. 0056. 91 R ATOM 2616 CD1 ILE R 47 1. 239 22. 444 11. 300 1. 00 53. 79 R ATOM 2617 C ILE R 47-3. 478 22. 480 9. 790 1. 00 65. 07 R ATOM 2618 O ILE R 47-3. 749 23. 611 9. 437 1. 00 67. 52 R ATOM 2619 N PHE R 48-4. 331 21. 712 10. 451 1. 00 69. 52 R ATOM 2620 CA PHE R 48-5. 682 22. 153 10. 808 1. 00 74. 31 R ATOM 2621 CB PHE R 48-6. 728 21. 411 9. 955 1. 00 74. 81 R ATOM 2622 CG PHE R 48-7. 050 22. 077 8. 644 1. 00 74. 87 R ATOM 2623 CD1 PHE R 48-7. 401 21. 310 7. 541 1. 00 74. 91 R ATOM 2624 CD2 PHE R 48-7. 084 23. 459 8. 527 1. 00 75. 30 R ATOM 2625 CE1 PHE R 48-7. 755 21. 905 6. 329 1. 00 75. 39 R ATOM 2626 CE2 PHE R 48-7. 439 24. 068 7. 317 1. 00 75. 37 R ATOM 2627 CZ PHE R 48-7. 787 23. 281 6. 222 1. 00 75. 94 R ATOM 2628 C PHE R 48-5. 901 21. 795 12. 281 1. 00 76. 73 R ATOM 2629 O PHE R 48-5. 626 20. 666 12. 673 1. 00 76. 97 R ATOM 2630 N ASN R 49-6. 387 22. 729 13. 099 1. 00 79. 68 R ATOM 2631 CA ASN R 49-6. 631 22. 414 14. 508 1. 00 82. 70 R ATOM 2632 CB ASN R 49-6. 170 23. 550 15. 412 1. 00 82. 01 R ATOM 2633 CG ASN R 49-6. 891 24. 832 15. 137 1. 00 82. 98 R ATOM 2634 OD1 ASN R 49-8. 024 24. 839 14. 645 1. 00 83. 22 R ATOM 2635 ND2 ASN R 49-6. 251 25. 939 15. 474 1. 00 83. 46 R ATOM 2636 C ASN R 49-8. 102 22. 119 14. 792 1. 00 85. 25 R ATOM 2637 O ASN R 49-8. 937 22. 122 13. 879 1. 00 86. 15 R ATOM 2638 N SER R 50-8. 419 21. 861 16. 060 1. 00 88. 27 R ATOM 2639 CA SER R 50-9. 798 21. 573 16. 462 1. 00 90. 94 R ATOM 2640 CB SER R 50-9. 937 21. 601 17. 984 1. 00 90. 63 R ATOM 2641 OG SER R 50-9. 050 20. 685 18. 592 1. 00 89. 11 R ATOM 2642 C SER R 50-10. 751 22. 607 15. 865 1. 00 93. 37 R ATOM 2643 O SER R 50-11. 681 22. 259 15. 128 1. 00 95. 46 R ATOM 2644 N ALA R 51-10. 506 23. 877 16. 178 1. 00 93. 30 R ATOM 2645 CA ALA R 51-11. 334 24. 960 15. 672 1. 00 93. 24 R ATOM 2646 CB ALA R 51-11. 009 26. 258 16. 422 1. 00 93. 28 R ATOM 2647 C ALA R 51-11. 133 25. 145 14. 162 1. 00 93. 64 R ATOM 2648 0 ALA R 51-11. 500 26. 180 13. 604 1. 00 94. 72 R ATOM 2649 N ASN R 52-10. 545 24. 145 13. 510 1. 00 92. 62 R ATOM 2650 CA ASN R 52-10. 311 24. 190 12. 073 1. 00 90. 99 R ATOM 2651 CB ASN R 52-11. 644 24. 166 11. 336 1. 00 89. 40 R ATOM 2652 CG ASN R 52-12. 223 22. 789 11. 240 1. 00 89. 42 R ATOM 2653 OD1 ASN R 52-12. 258 22. 053 12. 219 1. 00 88. 09 R ATOM 2654 ND2 ASN R 52-12. 691 22. 428 10. 055 1. 00 90. 06 R ATOM 2655 C ASN R 52-9. 511 25. 399 11. 605 1. 00 91. 07 R ATOM 2656 O ASN R 52-9. 702 25. 872 10. 476 1. 00 92. 02 R ATOM 2657 N ARG R 53-8. 627 25. 912 12. 457 1. 00 89. 08 R ATOM 2658 CA ARG R 53-7. 814 27. 061 12. 067 1. 00 87. 54 R ATOM 2659 CB ARG R 53-7. 259 27. 762 13. 310 1. 00 88. 99 R ATOM 2660 CG ARG R 53-7. 019 29. 252 13. 134 1. 00 91. 32 R ATOM 2661 CD ARG R 53-6. 525 29. 889 14. 437 1. 00 95. 14 R ATOM 2662 NE ARG R 53-6. 621 31. 353 14. 442 1. 00 96. 84 R ATOM 2663 CZ ARG R 53-7. 764 32. 040 14. 459 1. 00 96. 18 R ATOM 2664 NH1 ARG R 53-8. 933 31. 412 14. 478 1. 00 95. 95 R ATOM 2665 NH2 ARG R 53-7. 735 33. 365 14. 437 1. 00 96. 15 R ATOM 2666 C ARG R 53-6. 678 26. 540 11. 174 1. 00 84. 41 R ATOM 2667 O ARG R 53-5. 942 25. 634 11. 569 1. 00 84. 56 R ATOM 2668 N LEU R 54-6. 549 27. 105 9. 974 1. 00 80. 26 R ATOM 2669 CA LEU R 54-5. 526 26. 664 9. 036 1. 00 75. 61 R ATOM 2670 CB LEU R 54-5. 971 26. 931 7. 588 1. 00 73. 66 R ATOM 2671 CG LEU R 54-4. 897 26. 675 6. 532 1. 00 73. 12 R ATOM 2672 CD1 LEU R 54-4. 444 25. 244 6. 652 1. 00 72. 00 R ATOM 2673 CD2 LEU R 54-5. 411 26. 974 5. 143 1. 00 71. 90 R ATOM 2674 C LEU R 54-4. 149 27. 267 9. 252 1. 00 73. 15 R ATOM 2675 O LEU R 54-4. 004 28. 476 9. 399 1. 00 74. 06 R ATOM 2676 N PHE R 55-3. 139 26. 401 9. 272 1. 00 69. 90 R ATOM 2677 CA PHE R 55-1. 742 26. 812 9. 406 1. 00 64. 83 R ATOM 2678 CB PHE R 55-1. 175 26. 403 10. 756 1. 00 66. 73 R ATOM 2679 CG PHE R 55-1. 962 26. 905 11. 924 1. 00 69. 97 R ATOM 2680 CD1 PHE R 55-3. 254 26. 441 12. 168 1. 00 68. 53-R ATOM 2681 CD2 PHE R 55-1. 385 27. 815 12. 825 1. 00 71. 07 R ATOM 2682 CE1 PHE R 55-3. 950 26. 870 13. 290 1. 00 68. 74 R ATOM 2683 CE2 PHE R 55-2. 083 28. 248 13. 957 1. 00 68. 50 R ATOM 2684 CZ PHE R 55-3. 362 27. 772 14. 185 1. 00 68. 19 R ATOM 2685 C PHE R 55-0. 987 26. 094 8. 291 1. 00 60. 15 R ATOM 2686 0 PHE R 55-1. 202 24-902 8. 046 1. 00 58. 29 R ATOM 2687 N GLN R 56-0. 112 26. 821 7. 612 1. 00 54. 30 R ATOM 2688 CA GLN R 56 0. 618 26. 230 6. 532 1. 00 48. 78 R ATOM 2689 CB GLN R 56-0. 088 26. 511 5. 226 1. 00 46. 29 R ATOM 2690 CG GLN R 56 0. 069 27. 910 4. 757 1. 00 45. 88 R ATOM 2691 CD GLN R 56-0. 463 28. 123 3. 347 1. 00 46. 05 R ATOM 2692 OE1 GLN R 56-1. 650 27. 872 3. 050 1. 00 45. 76 R ATOM 2693 NE2 GLN R 56 0. 412 28. 598 2. 469 1. 00 40. 23 R ATOM 2694 C GLN R 56 2. 051 26. 679 6. 430 1. 00 47. 98 R ATOM 2695 O GLN R 56 2. 486 27. 622 7. 086 1. 00 44. 93 R ATOM 2696 N TYR R 57 2. 787 25. 948 5. 597 1. 00 51. 72 R ATOM 2697 CA TYR R 57 4. 207 26. 186 5. 329 1. 00 51. 34 R ATOM 2698 CB TYR R 57 5. 085 25. 381 6. 292 1. 00 50. 28 R ATOM 2699 CG TYR R 57 6. 479 25. 177 5. 798 1. 00 51. 34 R ATOM 2700 CD1 TYR R 57 7. 478 26. 088 6. 070 1. 00 49. 78 R ATOM 2701 CE1 TYR R 57 8. 782 25. 881 5. 592 1. 00 54. 19 R ATOM 2702 CD2 TYR R 57 6. 795 24. 050 5. 034 1. 00 54. 64 R ATOM 2703 CE2 TYR R 57 8. 089 23. 830 4. 542 1. 00 53. 76 R ATOM 2704 CZ TYR R 57 9. 079 24. 745 4. 826 1. 00 55. 41 R ATOM 2705 OH TYR R 57 10. 359 24. 518 4. 359 1. 00 57. 37 R ATOM 2706 C TYR R 57 4. 487 25. 761 3. 895 1. 00 51. 45 R ATOM 2707 0 TYR R 57 3. 730 24. 975 3. 296 1. 00 49. 95 R ATOM 2708 N ALA R 58 5. 565 26. 298 3. 347 1. 00 52. 01 R ATOM 2709 CA ALA R 58 5. 941 25. 991 1. 991 1. 00 52. 14 R ATOM 2710 CB ALA R 58 5. 060 26. 736 1. 037 1. 00 48. 59 R ATOM 2711 C ALA R 58 7. 368 26. 445 1. 868 1. 00 55. 22 R ATOM 2712 O ALA R 58 7. 701 27. 563 2. 244 1. 00 55. 12 R ATOM 2713 N SER R 59 8. 230 25. 558 1. 387 1. 00 60. 50 R ATOM 2714 CA SER R 59 9. 647 25. 893 1. 224 1. 00 64. 18 R ATOM 2715 CB SER R 59 10. 434 24. 696 0. 653 1. 00 63. 32 R ATOM 2716 OG SER R 59 9. 818 24. 151-0. 511 1. 00 63. 24 R ATOM 2717 C SER R 59 9. 768 27. 106 0. 298 1. 00 67. 46 R ATOM 2718 O SER R 59 10. 607 27. 982 0. 497 1. 00 68. 60 R ATOM 2719 N THR R 60 8. 909 27. 176-0. 707 1. 00 69. 99 R ATOM 2720 CA THR R 60 8. 959 28. 301-1. 616 1. 00 73. 36 R ATOM 2721 CB THR R 60 9. 358 27. 845-3. 018 1. 00 77. 22 R ATOM 2722 OG1 THR R 60 8. 469 26. 798-3. 457 1. 00 80. 04 R ATOM 2723 CG2 THR R 60 10. 832 27. 368-3. 007 1. 00 78. 29 R ATOM 2724 C THR R 60 7. 619 28. 995-1. 672 1. 00 72. 60 R ATOM 2725 O THR R 60 7. 526 30. 171-1. 367 1. 00 71. 82 R ATOM 2726 N ASP R 61 6. 583 28. 273-2. 079 1. 00 73. 33 R ATOM 2727 CA ASP R 61 5. 261 28. 865-2. 136 1. 00 75. 07 R ATOM 2728 CB ASP R 61 5. 172 29. 835-3. 311 1. 00 78. 88 R ATOM 2729 CG ASP R 61 5. 158 29. 122-4. 679 1. 00 81. 77 R ATOM 2730 OD1 ASP R 61 6. 199 28. 489-5. 031 1. 00 82. 24 R ATOM 2731 OD2 ASP R 61 4. 104 29. 202-5. 382 1. 00 81. 18 R ATOM 2732 C ASP R 61 4. 214 27. 788-2. 268 1. 00 74. 41 R ATOM 2733 O ASP R 61 4. 424 26. 797-2. 960 1. 00 74. 89 R ATOM 2734 N MET R 62 3. 086 27. 977-1. 598 1. 00 74. 03 R ATOM 2735 CA MET R 62 2. 035 26. 979-1. 657 1. 00 74. 32 R ATOM 2736 CB MET R 62 0. 862 27. 392-0. 771 1. 00 72. 31 R ATOM 2737 CG MET R 62-0. 023 26. 232-0. 380 1. 00 72. 15 R ATOM 2738 SD MET R 62 1. 004 24. 955 0. 368 1. 00 71. 56 R ATOM 2739 CE MET R 62 0. 852 25. 350 2. 099 1. 00 73. 41 R ATOM 2740 C MET R 62 1. 557 26. 761-3. 092 1. 00 76. 14 R ATOM 2741 O MET R 62 1. 255 25. 634-3. 499 1. 00 75. 27 R ATOM 2742 N ASP R 63 1. 511 27. 841-3. 865 1. 00 79. 23 R ATOM 2743 CA ASP R 63 1. 042 27. 766-5. 242 1. 00 81. 92 R ATOM 2744 CB ASP R 63 1. 207 29. 110-5. 945 1. 00 85. 01 R ATOM 2745 CG ASP R 63 0. 500 30. 238-5. 230 1. 00 88. 50 R ATOM 2746 OD1 ASP R 63 0. 975 30. 642-4. 142 1. 00 90. 81 R ATOM 2747 OD2 ASP R 63-0. 528 30. 718-5. 761 1. 00 89. 98 R ATOM 2748 C ASP R 63 1. 804 26. 724-6. 038 1. 00 82. 37 R ATOM 2749 O ASP R 63 1. 224 25. 760-6. 544 1. 00 82. 12 R ATOM 2750 N ARG R 64 3. 109 26. 930-6. 151 1. 00 82. 70 R ATOM 2751 CA ARG R 64 3. 945 26. 029-6. 913 1. 00 82. 28 R ATOM 2752 CB ARG R 64 5. 414 26. 417-6. 745 1. 00 85. 65 R ATOM 2753 CG ARG R 64 6. 330 25. 795-7. 787 1. 00 92. 13 R ATOM 2754 CD ARG R 64 7. 546 26. 678-8. 072 1. 00 96. 39 R ATOM 2755 NE ARG R 64 7. 189 27. 914-8. 781 1. 00100. 25 R ATOM 2756 CZ ARG R 64 6. 578 27. 967-9. 969 1. 00101. 09 R ATOM 2757 NH1 ARG R 64 6. 237 26. 845-10. 608 1. 00101. 31 R ATOM 2758 NH2 ARG R 64 6. 316 29. 150-10. 528 1. 00101. 90 R ATOM 2759 C ARG R 64 3. 724 24. 577-6. 512 1. 00 80. 03 R ATOM 2760 O ARG R 64 3. 316 23. 761-7. 348 1. 00 80. 83 R ATOM 2761 N VAL R 65 3. 965 24. 260-5. 241 1. 00 75. 93 R ATOM 2762 CA VAL R 65 3. 817 22. 893-4. 765 1. 00 71. 93 R ATOM 2763 CB VAL R 65 4. 185 22. 781-3. 286 1. 00 70. 42 R ATOM 2764 CG1 VAL R 65 3. 719 21. 448-2. 756 1. 00 69. 32 R ATOM 2765 CG2 VAL R 65 5. 683 22. 904-3. 121 1. 00 68. 81 R ATOM 2766 C VAL R 65 2. 441 22. 280-4. 994 1. 00 71. 07 R ATOM 2767 O VAL R 65 2. 324 21. 205-5. 598 1. 00 71. 18 R ATOM 2768 N LEU R 66 1. 396 22. 949-4. 526 1. 00 70. 30 R ATOM 2769 CA LEU R 66 0. 047 22. 427-4. 714 1. 00 69. 29 R ATOM 2770 CB LEU R 66-0. 992 23. 424-4. 166 1. 00 68. 10 R ATOM 2771 CG LEU R 66-1. 197 23. 444-2. 652 1. 00 67. 38 R ATOM 2772 CD1 LEU R 66-2. 047 22. 280-2. 221 1. 00 67. 64 R ATOM 2773 CD2 LEU R 66 0. 125 23. 377-1. 963 1. 00 68. 05 R ATOM 2774 C LEU R 66-0. 208 22. 155-6. 201 1. 00 69. 12 R ATOM 2775 O LEU R 66-0. 876 21. 190-6. 558 1. 00 67. 17 R ATOM 2776 N LEU R 67 0. 336 23. 020-7. 052 1. 00 70. 13 R ATOM 2777 CA LEU R 67 0. 192 22. 904-8. 494 1. 00 70. 67 R ATOM 2778 CB LEU R 67 0. 668 24. 195-9. 162 1. 00 71. 39 R ATOM 2779 CG LEU R 67-0. 376 24. 950-9. 994 1. 00 72. 99 R ATOM 2780 CD1 LEU R 67 0. 276 26. 146-10. 683 1. 00 72. 86 R ATOM 2781 CD2 LEU R 67-0. 987 24. 017-11. 035 1. 00 74. 39 R ATOM 2782 C LEU R 67 1. 001 21. 718-9. 040 1. 00 71. 33 R ATOM 2783 O LEU R 67 0. 482 20. 910-9. 829 1. 00 70. 93 R ATOM 2784 N LYS R 68 2. 270 21. 615-8. 639 1. 00 70. 81 R ATOM 2785 CA LYS R 68 3. 091 20. 510-9. 117 1. 00 71. 31 R ATOM 2786 CB LYS R 68 4. 538 20. 605-8. 611 1. 00 70. 63 R ATOM 2787 CG LYS R 68 5. 400 19. 440-9. 118 1. 00 67. 50 R ATOM 2788 CD LYS R 68 6. 809 19. 439-8. 554 1. 00 66. 30 R ATOM 2789 CE LYS R 68 7. 711 20. 463-9. 218 1. 00 66. 03 R ATOM 2790 NZ LYS R 68 9. 128 20. 306-8. 767 1. 00 66. 83 R ATOM 2791 C LYS R 68 2. 484 19. 199-8. 632 1. 00 72. 32 R ATOM 2792 O LYS R 68 2. 816 18. 107-9. 143 1. 00 74. 02 R ATOM 2793 N TYR R 69 1. 589 19. 306-7. 651 1. 00 70. 00 R ATOM 2794 CA TYR R 69 0. 957 18. 122-7. 106 1. 00 68. 12 R ATOM 2795 CB TYR R 69 0. 477 18. 398-5. 687 1. 00 62. 70 R ATOM 2796 CG TYR R 69-0. 101 17. 195-5. 014 1. 00 52. 95 R ATOM 2797 CD1 TYR R 69 0. 694 16. 340-4. 260 1. 00 50. 78 R ATOM 2798 CE1 TYR R 69 0. 139 15. 228-3. 624 1. 00 50. 45 R ATOM 2799 CD2 TYR R 69-1. 448 16. 918-5. 131 1. 00 51. 76 R ATOM 2800 CE2 TYR R 69-2. 014 15. 825-4. 518 1. 00 52. 26 R ATOM 2801 CZ TYR R 69-1. 225 14. 989-3. 763 1. 00 52. 04 R ATOM 2802 OH TYR R 69-1. 838 13. 948-3. 122 1. 00 55. 19 R ATOM 2803 C TYR R 69-0. 204 17. 599-7. 955 1. 00 70. 23 R ATOM 2804 O TYR R 69-0. 639 16. 460-7. 776 1. 00 70. 70 R ATOM 2805 N THR R 70-0. 727 18. 411-8. 866 1. 00 73. 62 R ATOM 2806 CA THR R 70-1. 835 17. 935-9. 701 1. 00 78. 37 R ATOM 2807 CB THR R 70-2. 515 19. 073-10. 446 1. 00 76. 73 R ATOM 2808 OG1 THR R 70-1. 511 19. 912-11. 027 1. 00 75. 75 R ATOM 2809 CG2 THR R 70-3. 396 19. 874-9. 498 1. 00 76. 44 R ATOM 2810 C THR R 70-1. 308 16. 946-10. 743 1. 00 82. 49 R ATOM 2811 0 THR R 70-1. 979 15. 954-11. 073 1. 00 83. 74 R ATOM 2812 N GLU R 71-0. 100 17. 215-11. 247 1. 00 85 R ATOM 2813 CA GLU R 71 0 542 16. 370-12. 255 1. 00 88. 10 R ATOM 2814 CB GLU R 71 1. 703 17. 133-12. 885 1. 00 88. 42 R ATOM 2815 CG GLU R 71 1 226 18. 356-13. 667 1. 00 91. 11 R ATOM 2816 CD GLU R 71 2 214 19. 515-13. 628 1. 00 92. 94 R ATOM 2817 OE1 GLU R 71 1. 904 20. 584-14. 201 1. 00 92. 89 R ATOM 2818 OE2 GLU R 71 3. 299 19. 364-13. 022 1. 00 94. 36 R ATOM 2819 C GLU R 71 1. 020 15. 045-11. 677 1. 00 88. 97 R ATOM 2820 O GLU R 71 0. 324 14. 025-11. 776 1. 00 88. 43 R ATOM 2821 N TYR R 72 2. 202 15. 064-11. 072 1. 00 90. 13 R ATOM 2822 CA TYR R 72 2. 749 13. 858-10. 465 1. 00 92. 08 R ATOM 2823 CB TYR R 72 4. 246 14. 049-10. 169 1. 00 92. 30 R ATOM 2824 CG TYR R 72 4. 969 14. 886-11. 207 1. 00 91. 67 R ATOM 2825 CD1 TYR R 72 4. 859 14. 602-12. 563 1. 00 91. 59 R ATOM 2826 CE1 TYR R 72 5. 476 15. 413-13. 522 1. 00 91. 47 R ATOM 2827 CD2 TYR R 72 5. 720 15. 994-10. 834 1. 00 92. 35 R ATOM 2828 CE2 TYR R 72 6. 342 16. 807-11. 785 1. 00 91. 47 R ATOM 2829 CZ TYR R 72 6. 212 16. 513-13. 124 1. 00 91. 13 R ATOM 2830 OH TYR R 72 6. 805 17. 329-14. 060 1. 00 91. 02 R ATOM 2831 C TYR R 72 1. 957 13. 631-9. 172 1. 00 93. 03 R ATOM 2832 O TYR R 72 2. 354 14. 096-8. 105 1. 00 93. 00 R ATOM 2833 N SER R 73 0. 833 12. 923-9. 281 1. 00 93. 96 R ATOM 2834 CA SER R 73-0. 028 12. 664-8. 133 1. 00 95. 86 R ATOM 2835 CB SER R 73-1. 477 12. 937-8. 534 1. 00 95. 48 R ATOM 2836 OG SER R 73-2. 356 12. 727-7. 442 1. 00 95. 18 R ATOM 2837 C SER R 73 0. 076 11. 265-7. 490 1. 00 97. 69 R ATOM 2838 O SER R 73-0. 779 10. 878-6. 688 1. 00 98. 26 R ATOM 2839 N GLU R 74 1. 116 10. 509-7. 833 1. 00 97. 28 R ATOM 2840 CA GLU R 74 1. 311 9. 175-7. 274 1. 00 96. 83 R ATOM 2841 CB GLU R 74 1. 727 8. 211-8. 376 1. 00 98. 26 R ATOM 2842 CG GLU R 74 0. 682 7. 986-9. 466 1. 00 97. 89 R ATOM 2843 CD GLU R 74-0. 508 7. 184-8. 972 1. 00 98. 03 R ATOM 2844 OE1 GLU R 74-0. 305 6. 063-8. 454 1. 00 98. 43 R ATOM 2845 OE2 GLU R 74-1. 648 7. 673-9. 102 1. 00 97. 48 R ATOM 2846 C GLU R 74 2. 387 9. 210-6. 201 1. 00 97. 97 R ATOM 2847 O GLU R 74 3. 573 9. 320-6. 500 1. 00 95. 76 R ATOM 2848 N PRO R 75 1. 988 9. 107-4. 929 1. 00 99. 83 R ATOM 2849 CD PRO R 75 0. 619 8. 929-4. 414 1. 00 99. 85 R ATOM 2850 CA PRO R 75 2. 955 9. 138-3. 829 1. 00 99. 92 R ATOM 2851 CB PRO R 75 2. 064 9. 273-2. 592 1. 00 99. 83 R ATOM 2852 CG PRO R 75 0. 864 8. 484-2. 974 1. 00100. 34 R ATOM 2853 C PRO R 75 3. 854 7. 911-3. 759 1. 00100. 48 R ATOM 2854 0 PRO R 75 3. 398 6. 830-3. 384 1. 00 99. 71 R ATOM 2855 N HIS R 76 5. 127 8. 076-4. 116 1. 00 99. 53 R ATOM 2856 CA HIS R 76 6. 074 6. 966-4. 064 1. 00 98. 83 R ATOM 2857 CB HIS R 76 7. 410 7. 354-4. 706 1. 00102. 51 R ATOM 2858 CG HIS R 76 7. 446 7. 149-6. 194 1. 00106. 15 R ATOM 2859 CD2 HIS R 76 7. 526 8. 031-7. 222 1. 00106. 89 R ATOM 2860 ND1 HIS R 76 7. 357 5. 900-6. 772 1. 00106. 97 R ATOM 2861 CE1 HIS R 76 7. 377 6. 021-8. 089 1. 00107-71 R ATOM 2862 NE2 HIS R 76 7. 480 7. 303-8. 389 1. 00107. 27 R ATOM 2863 C HIS R 76 6. 259 6. 554-2. 616 1. 00 96. 41 R ATOM 2864 0 HIS R 76 7. 070 5. 696-2. 288 1. 00 96. 34 R ATOM 2865 N GLU R 77 5. 476 7. 198-1. 764 1. 00 94. 94 R ATOM 2866 CA GLU R 77 5. 427 6. 947-0. 333 1. 00 93. 34 R ATOM 2867 CB GLU R 77 6. 692 7. 460 0. 361 1. 00 91. 49 R ATOM 2868 CG GLU R 77 6. 732 7. 125 1. 845 1. 00 90. 94 R ATOM 2869 CD GLU R 77 7. 994 7. 588 2. 523 1. 00 90. 59 R ATOM 2870 OE1 GLU R 77 8. 072 7. 482 3. 763 1. 00 89. 75 R ATOM 2871 OE2 GLU R 77 8. 908 8. 052 1. 816 1. 00 91. 14 R ATOM 2872 C GLU R 77 4. 193 7. 728 0. 130 1. 00 92. 20 R ATOM 2873 O GLU R 77 4. 001 8. 877-0. 277 1. 00 92. 61 R ATOM 2874 N SER R 78 3. 352 7. 120 0. 961 1. 00 90. 04 R ATOM 2875 CA SER R 78 2. 156 7. 812 1. 396 1. 00 89. 32 R ATOM 2876 CB SER R 78 1. 023 7. 506 0. 416 1. 00 89. 64 R ATOM 2877 OG SER R 78-0. 183 8. 170 0. 765 1. 00 89. 04 R ATOM 2878 C SER R 78 1. 725 7. 482 2. 811 1. 00 88. 78 R ATOM 2879 O SER R 78 0. 540 7-382 3. 093 1. 00 88. 64 R ATOM 2880 N ARG R 79 2. 682 7. 348 3. 716 1. 00 89-13 R ATOM 2881 CA ARG R 79 2. 364 7. 021 5. 108 1. 00 90. 08 R ATOM 2882 CB ARG R 79 3. 541 7. 390 6. 030 1. 00 89. 75 R ATOM 2883 CG ARG R 79 4. 888 6. 959 5. 483 1. 00 92. 01 R ATOM 2884 CD ARG R 79 5. 939 6. 775 6. 576 1. 00 94. 73 R ATOM 2885 NE ARG R 79 6. 076 5. 370 6. 969 1. 00 96. 52 R ATOM 2886 CZ ARG R 79 7. 238 4. 763 7. 211 1. 00 96. 85 R ATOM 2887 NH1 ARG R 79 8. 381 5. 437 7. 103 1. 00 96. 21 R ATOM 2888 NH2 ARG R 79 7. 260 3. 478 7. 550 1. 00 96. 66 R ATOM 2889 C ARG R 79 1. 071 7. 645 5. 659 1. 00 89. 28 R ATOM 2890 O ARG R 79 0. 721 8. 781 5. 343 1. 00 87. 87 R ATOM 2891 N THR R 80 0. 366 6. 864 6. 473 1. 00 89. 08 R ATOM 2892 CA THR R 80-0. 864 7. 298 7. 124 1. 00 88. 82 R ATOM 2893 CB THR R 80-1. 987 6. 254 6. 978 1. 00 90. 17 R ATOM 2894 OG1 THR R 80-3. 186 6. 736 7. 601 1. 00 91. 29 R ATOM 2895 CG2 THR R 80-1. 575 4. 947 7. 637 1. 00 90. 81 R ATOM 2896 C THR R 80-0. 481 7. 401 8. 588 1. 00 88. 04 R ATOM 2897 O THR R 80 0. 674 7. 182 8. 933 1. 00 87. 49 R ATOM 2898 N GLN R 81-1. 432 7. 718 9. 452 1. 00 87. 97 R ATOM 2899 CA GLN R 81-1. 117 7. 834 10. 868 1. 00 89. 44 R ATOM 2900 CB GLN R 81-2. 341 8. 339 11. 644 1. 00 90. 09 R ATOM 2901 CG GLN R 81-2. 017 8. 972 12. 991 1. 00 87. 99 R ATOM 2902 CD GLN R 81-1. 366 10. 326 12. 839 1. 00 87. 27 R ATOM 2903 OE1 GLN R 81-1. 071 11. 007 13. 816 1. 00 88. 51 R ATOM 2904 NE2 GLN R 81-1. 145 10. 729 11. 604 1. 00 86. 37 R ATOM 2905 C GLN R 81-0. 669 6. 482 11. 435 1. 00 90. 62 R ATOM 2906 O GLN R 81 0. 190 6. 426 12. 320 1. 00 90. 34 R ATOM 2907 N THR R 82-1. 263 5. 399 10. 929 1. 00 91. 26 R ATOM 2908 CA THR R 82-0. 933 4. 044 11. 371 1. 00 91. 50 R ATOM 2909 CB THR R 82-2. 038 3. 043 10. 955 1. 00 91. 58 R ATOM 2910 OG1 THR R 82-1. 986 2. 815 9. 538 1. 00 91. 68 R ATOM 2911 CG2 THR R 82-3. 412 3. 599 11. 320 1. 00 90. 33 R ATOM 2912 C THR R 82 0. 419 3. 575 10. 815 1. 00 91. 75 R ATOM 2913 O THR R 82 1. 255 3. 079 11. 557 1. 00 90. 67 R ATOM 2914 N ASP R 83 0. 643 3. 747 9. 515 1. 00 92. 95 R ATOM 2915 CA ASP R 83 1. 911 3. 337 8. 913 1. 00 95. 13 R ATOM 2916 CB ASP R 83 1. 956 3. 723 7. 435 1. 00 95. 70 R ATOM 2917 CG ASP R 83 0. 828 3. 105 6. 642 1. 00 97. 21 R ATOM 2918 OD1 ASP R 83 0. 802 3. 285 5. 400 1. 00 98. 10 R ATOM 2919 OD2 ASP R 83-0. 034 2. 444 7. 270 1. 00 96. 97 R ATOM 2920 C ASP R 83 3. 105 3. 952 9. 628 1. 00 95. 67 R ATOM 2921 0 ASP R 83 4. 250 3. 677 9. 283 1. 00 96. 36 R ATOM 2922 N ILE R 84 2. 832 4. 797 10. 613 1. 00 96. 02 R ATOM 2923 CA ILE R 84 3. 879 5. 446 11. 397 1. 00 96. 87 R ATOM 2924 CB ILE R 84 3. 612 6. 976 11. 561 1. 00 97. 28 R ATOM 2925 CG2 ILE R 84 4. 630 7. 593 12. 510 1. 00 96. 59 R ATOM 2926 CG1 ILE R 84 3. 665 7. 672 10. 196 1. 00 96. 43 R ATOM 2927 CD1 ILE R 84 5. 061 7. 890 9. 644 1. 00 95. 35 R ATOM 2928 C ILE R 84 3. 838 4. 777 12. 767 1. 00 97. 80 R ATOM 2929 0 ILE R 84 4. 741 4. 016 13. 128 1. 00 98. 04 R ATOM 2930 N LEU R 85 2. 771 5. 060 13. 517 1. 00 98. 65 R ATOM 2931 CA LEU R 85 2. 562 4. 477 14. 845 1. 00 98. 63 R ATOM 2932 CB LEU R 85 1. 084 4. 605 15. 248 1. 00 97. 64 R ATOM 2933 CG LEU R 85 0. 725 4. 901 16. 707 1. 00 97. 41 R ATOM 2934 CD1 LEU R 85-0. 794 4. 881 16. 862 1. 00 97. 26 R ATOM 2935 CD2 LEU R 85 1. 363 3. 878 17. 621 1. 00 97. 18 R ATOM 2936 C LEU R 85 2. 946 2. 997 14. 721 1. 00 98. 63 R ATOM 2937 0 LEU R 85 3. 611 2. 438 15. 588 1. 00 98. 93 R ATOM 2938 N GLU R 86 2. 524 2. 381 13. 621 1. 00 97. 95 R ATOM 2939 CA GLU R 86 2. 827 0. 991 13. 331 1. 00 97. 20 R ATOM 2940 CB GLU R 86 2. 153 0. 582 12. 014 1. 00 97. 86 R ATOM 2941 CG GLU R 86 2. 889-0. 488 11. 176 1. 00 98. 07 R ATOM 2942 CD GLU R 86 2. 401-0. 545 9. 709 1. 00 97. 83 R ATOM 2943 OE1 GLU R 86 1. 216-0. 880 9. 469 1. 00 96. 67 R ATOM 2944 OE2 GLU R 86 3. 207-0. 244 8. 795 1. 00 96. 52 R ATOM 2945 C GLU R 86 4. 333 0. 857 13. 211 1. 00 97. 03 R ATOM 2946 O GLU R 86 4. 959 0. 134 13. 976 1. 00 96. 98 R ATOM 2947 N THR R 87 4. 912 1. 583 12. 262 1. 00 97. 45 R ATOM 2948 CA THR R 87 6. 351 1. 527 12. 022 1. 00 97. 76 R ATOM 2949 CB THR R 87 6. 724 2. 318 10. 760 1. 00 95. 36 R ATOM 2950 OG1 THR R 87 5. 818 1. 972 9. 708 1. 00 94. 31 R ATOM 2951 CG2 THR R 87 8. 129 1. 967 10. 308 1. 00 94. 12 R ATOM 2952 C THR R 87 7. 195 2. 015 13-191 1. 00 99. 06 R ATOM 2953 0 THR R 87 8. 420 2. 086 13. 090 1. 00 98. 86 R ATOM 2954 N LEU R 88 6. 541 2. 344 14. 300 1. 00100. 28 R ATOM 2955 CA LEU R 88 7. 248 2. 807 15. 489 1. 00102. 38 R ATOM 2956 CB LEU R 88 6. 465 3. 919 16. 199 1. 00101. 65 R ATOM 2957 CG LEU R 88 6. 798 5. 378 15. 887 1. 00 98. 97 R ATOM 2958 CD1 LEU R 88 5. 912 6. 248 16. 743 1. 00 97. 83 R ATOM 2959 CD2 LEU R 88 8. 268 5. 680 16-156 1. 00 97. 16 R ATOM 2960 C LEU R 88 7. 434 1. 650 16. 455 1. 00104. 94 R ATOM 2961 O LEU R 88 8. 518 1. 451 17. 020 1. 00104. 91 R ATOM 2962 N LYS R 89 6. 355 0. 893 16. 636 1. 00108. 14 R ATOM 2963 CA LYS R 89 6. 346-0. 251 17. 537 1. 00110. 10 R ATOM 2964 CB LYS R 89 4. 909-0. 502 18. 022 1. 00108. 99 R ATOM 2965 CG LYS R 89 4. 200 0. 774 18-509 1. 00106. 55 R ATOM 2966 CD LYS R 89 2. 873 0. 477 19. 217 1. 00105. 28 R ATOM 2967 CE LYS R 89 1. 834-0. 124 18. 286 1. 00104. 60 R ATOM 2968 NZ LYS R 89 0. 660-0. 664 19. 033 1. 00103. 34 R ATOM 2969 C LYS R 89 6. 923-1. 489 16. 834 1. 00113. 21 R ATOM 2970 0 LYS R 89 7. 109-2. 537 17. 454 1. 00113. 18 R ATOM 2971 N ARG R 90 7. 215-1. 353 15. 540 1. 00115. 56 R ATOM 2972 CA ARG R 90 7. 786-2. 439 14. 746 1. 00117. 21 R ATOM 2973 CB ARG R 90 7. 369-2. 311 13. 271 1 00117. 92 R ATOM 2974 CG ARG R 90 8. 164-3. 213 12. 323 1. 00118. 37 R ATOM 2975 CD ARG R 90 7. 891-2. 912 10. 852 1. 00118. 54 R ATOM 2976 NE ARG R 90 7. 171-4. 002 10. 198 1. 00118. 92 R ATOM 2977 CZ ARG R 90 5. 886-4. 286 10. 393 1. 00118. 73 R ATOM 2978 NH1 ARG R 90 5. 159-3. 555 11. 226 1. 00117. 99 R ATOM 2979 NH2 ARG R 90 5. 332-5. 312 9. 764 1. 00118. 24 R ATOM 2980 C ARG R 90 9. 310-2. 428 14. 842 1. 00118. 69 R ATOM 2981 0 ARG R 90 9. 958-3. 457 14. 670 1. 00118. 80 R ATOM 2982 N ARG R 91 9. 881-1. 258 15. 105 1. 00120. 38 R ATOM 2983 CA ARG R 91 11. 329-1. 138 15. 217 1. 00122. 50 R ATOM 2984 CB ARG R 91 11. 775 0. 300 14. 903 1. 00123. 56 R ATOM 2985 CG ARG R 91 11. 541 0. 750 13-461 1. 00124. 60 R ATOM 2986 CD ARG R 91 12. 112 2. 150 13. 228 1. 00125. 70 R ATOM 2987 NE ARG R 91 11. 891 2. 631 11. 863 1. 00126. 85 R ATOM 2988 CZ ARG R 91 12. 319 3. 806 11. 402 1. 00127. 16 R ATOM 2989 NH1 ARG R 91 12. 993 4. 626 12. 193 1. 00127. 56 R ATOM 2990 NH2 ARG R 91 12. 073 4. 164 10. 148 1. 00127. 25 R ATOM 2991 C ARG R 91 11. 788-1. 533 16. 624 1. 00123. 33 R ATOM 2992 O ARG R 91 12. 624-2. 461 16. 733 1. 00123. 72 R ATOM 2993 OXT ARG R 91 11. 306-0. 909 17. 601 1. 00124. 17 R ATOM 2994 C GLY S 2 25. 869 14. 543 15. 800 1. 00 97. 54 S ATOM 2995 O GLY S 2 26. 016 15. 536 16. 515 1. 00 97. 66 S ATOM 2996 N GLY S 2 23. 448 15. 015 15. 837 1. 00 96. 66 S ATOM 2997 CA GLY S 2 24. 540 14. 290 15. 134 1. 00 97. 52 S ATOM 2998 N ARG S 3 26. 831 13. 652 15. 566 1. 00 98. 01 S ATOM 2999 CA ARG S 3 28. 169 13. 768 16. 150 1. 00 98. 69 S ATOM 3000 CB ARG S 3 29. 035 12. 560 15. 754 1. 00101. 49 S ATOM 3001 CG ARG S 3 28. 617 11. 237 16. 377 1. 00106. 07 S ATOM 3002 CD ARG S 3 29. 692 10. 184 16. 155 1. 00110. 02 S ATOM 3003 NE ARG S 3 29. 376 8. 919 16. 813 1. 00114. 63 S ATOM 3004 CZ ARG S 3 30. 146 7. 835 16. 761 1. 00116. 67 S ATOM 3005 NH1 ARG S 3 31. 286 7. 860 16. 079 1. 00116. 85 S ATOM 3006 NH2 ARG S 3 29. 778 6. 721 17-389 1. 00118. 07 S ATOM 3007 C ARG S 3 28. 917 15. 048 15. 764 1. 00 95. 58 S ATOM 3008 O ARG S 3 29. 961 15. 359 16. 338 1. 00 95. 41 S ATOM 3009 N LYS S 4 28. 383 15. 783 14. 796 1. 00 93. 30 S ATOM 3010 CA LYS S 4 29. 022 16. 999 14. 320 1. 00 90. 53 S ATOM 3011 CB LYS S 4 29. 892 16. 636 13. 115 1. 00 90. 33 S ATOM 3012 CG LYS S 4 30. 910 17. 665 12. 686 1. 00 92. 06 S ATOM 3013 CD LYS S 4 32. 259 17. 448 13. 341 1. 00 93. 16 S ATOM 3014 CE LYS S 4 33. 240 18. 502 12. 851 1. 00 96. 53 S ATOM 3015 NZ LYS S 4 34. 555 18. 458 13. 557 1. 00 98. 88 S ATOM 3016 C LYS S 4 27. 936 17. 996 13. 927 1. 00 88. 25 S ATOM 3017 O LYS S 4 26. 870 17. 598 13. 484 1. 00 61 S ATOM 3018 N LYS S 5 28. 203 19. 287 14. 094 1. 00 86. 06 S ATOM 3019 CA LYS S 5 27. 222 20. 309 13-732 1. 00 84. 88 S ATOM 3020 CB LYS S 5 27. 527 21 631 14. 442 1. 00 87. 12 S ATOM 3021 CG LYS S 5 26. 552 22. 765 14. 097 1. 00 89. 55 S ATOM 3022 CD LYS S 5 26. 872 24. 037 14. 878 1. 00 91. 62 S ATOM 3023 CE LYS S 5 25. 831 25. 129 14. 643 1. 00 92. 10 S ATOM 3024 NZ LYS S 5 25. 844 25. 620 13. 226 1. 00 92. 41 S ATOM 3025 C LYS S 5 27. 246 20. 545 12. 233 1. 00 82. 20 S ATOM 3026 0 LYS S 5 28. 312 20. 562 11. 635 1. 00 81. 56 S ATOM 3027 N ILE S 6 26. 075 20. 733 11. 628 1. 00 79. 39 S ATOM 3028 CA ILE S 6 26. 011 20. 970 10. 194 1. 00 76. 88 S ATOM 3029 CB ILE S 6 25. 417 19. 764 9 429 1. 00 74. 46 S ATOM 3030 CG2 ILE S 6 26. 279 18. 537 9. 650 1. 00 74. 03 S ATOM 3031 CG1 ILE S 6 23. 975 19. 530 9. 858 1. 00 71. 20 S ATOM 3032 CD1 ILE S 6 23. 211 18. 627 8. 935 1. 00 69. 67 S ATOM 3033 C ILE S 6 25. 203 22. 197 9. 800 1. 00 76. 92 S ATOM 3034 O ILE S 6 24. 097 22. 411 10. 268 1. 00 76. 22 S ATOM 3035 N GLN S 7 25. 783 23. 005 8. 925 1. 00 77. 08 S ATOM 3036 CA GLN S 7 25. 132 24. 205 8. 426 1. 00 77. 62 S ATOM 3037 CB GLN S 7 26. 153 25. 092 7. 715 1. 00 80. 91 S ATOM 3038 CG GLN S 7 27. 350 25. 451 8-568 1. 00 84. 51 S ATOM 3039 CD GLN S 7 26. 927 26. 157 9. 832 1. 00 87. 79 S ATOM 3040 OE1 GLN S 7 26. 265 27. 211 9. 777 1. 00 87. 70 S ATOM 3041 NE2 GLN S 7 27. 291 25. 583 10. 989 1. 00 88. 96 S ATOM 3042 C GLN S 7 24. 051 23. 817 7. 429 1. 00 76. 74 S ATOM 3043 O GLN S 7 24. 313 23. 096 6. 477 1. 00 77. 56 S ATOM 3044 N ILE S 8 22. 838 24. 302 7. 636 1. 00 75. 14 S ATOM 3045 CA ILE S 8 21. 764 23. 987 6. 721 1. 00 75. 03 S ATOM 3046 CB ILE S 8 20. 419 24. 414 7. 321 1. 00 74. 17 S ATOM 3047 CG2 ILE S 8 19. 374 24. 464 6. 255 1. 00 76. 39 S ATOM 3048 CG1 ILE S 8 19. 974 23. 402 8. 381 1. 00 75. 99 S ATOM 3049 CD1 ILE S 8 20. 963 23. 187 9. 518 1. 00 77. 32 S ATOM 3050 C ILE S 8 21. 988 24. 652 5. 354 1. 00 76. 02 S ATOM 3051 O ILE S 8 21. 835 25. 858 5. 200 1. 00 76. 32 S ATOM 3052 N SER S 9 22. 364 23. 841 4. 370 1. 00 76. 04 S ATOM 3053 CA SER S 9 22. 622 24. 287 3. 005 1. 00 74. 54 S ATOM 3054 CB SER S 9 23. 834 25. 197 2. 975 1. 00 74. 04 S ATOM 3055 OG SER S 9 24. 913 24. 568 3. 625 1. 00 74. 85 S ATOM 3056 C SER S 9 22. 879 23. 053 2. 151 1. 00 74. 57 S ATOM 3057 O SER S 9 23. 657 22. 179 2. 530 1. 00 73. 67 S ATOM 3058 N ARG S 10 22. 215 22. 988 1. 000 1. 00 75. 19 S ATOM 3059 CA ARG S 10 22. 319 21. 850 0. 068 1. 00 74. 66 S ATOM 3060 CB ARG S 10 22. 305 22. 334-1. 393 1. 00 75. 85 S ATOM 3061 CG ARG S 10 21. 929 21. 273-2. 412 1. 00 76. 42 S ATOM 3062 CD ARG S 10 22. 333 21. 690-3. 824 1. 00 78. 45 S ATOM 3063 NE ARG S 10 21. 683 20. 878-4. 861 1. 00 80. 69 S ATOM 3064 CZ ARG S 10 21. 866 19. 568-5. 054 1. 00 79. 25 S ATOM 3065 NH1 ARG S 10 22. 701 18. 892-4. 273 1. 00 78. 63 S ATOM 3066 NH2 ARG S 10 21. 192 18. 932-6. 019 1. 00 75. 56 S ATOM 3067 C ARG S 10 23. 535 20. 954 0. 257 1. 00 72. 62 S ATOM 3068 O ARG S 10 24. 629 21. 288-0. 174 1. 00 72. 90 S ATOM 3069 N ILE S 11 23. 341 19. 815 0. 904 1. 00 71. 27 S ATOM 3070 CA ILE S 11 24. 430 18. 856 1. 092 1. 00 70. 04 S ATOM 3071 CB ILE S 11 23. 888 17. 532 1. 688 1. 00 67. 57 S ATOM 3072 CG2 ILE S 11 24. 962 16. 494 1. 732 1-00 66. 62 S ATOM 3073 CG1 ILE S 11 23. 335 17. 773 3. 087 1. 00 66. 37 S ATOM 3074 CD1 ILE S 11 22. 622 16. 573 3. 666 1. 00 64. 29 S ATOM 3075 C ILE S 11 24. 978 18. 556-0. 308 1. 00 69. 96 S ATOM 3076 0 ILE S 11 24. 194 18. 219-1. 202 1. 00 71. 35 S ATOM 3077 N LEU S 12 26. 294 18. 676-0. 504 1-00 69. 10 S ATOM 3078 CA LEU S 12 26. 904 18. 412-1. 820 1. 00 69. 69 S ATOM 3079 CB LEU S 12 28. 264 19 089-1. 896 1. 00 68. 56 S ATOM 3080 CG LEU S 12 28. 168 20. 613-1. 919 1. 00 67. 62 S ATOM 3081 CD1 LEU S 12 29. 548 21. 211-2. 068 1. 00 65. 75 S ATOM 3082 CD2 LEU S 12 27. 267 21. 041-3. 062 1. 00 66. 01 S ATOM 3083 C LEU S 12 27. 047 16. 943-2. 239 1. 00 69. 36 S ATOM 3084 O LEU S 12 26. 508 16. 516-3. 255 1. 00 66. 11 S ATOM 3085 N ASP S 13 27. 805 16. 185-1. 462 1. 00 71. 21 S ATOM 3086 CA ASP S 13 27. 996 14. 772-1. 739 1. 00 74. 98 S ATOM 3087 CB ASP S 13 28 741 14. 116-0. 573 1. 00 75. 28 S ATOM 3088 CG ASP S 13 28. 660 12. 609-0. 617 1. 00 77. 17 S ATOM 3089 OD1 ASP S 13 28. 967 12. 020-1. 678 1. 00 78. 55 S ATOM 3090 OD2 ASP S 13 28. 277 12. 020 0. 414 1. 00 78. 56 S ATOM 3091 C ASP S 13 26. 644 14. 082-1. 959 1. 00 76. 00 S ATOM 3092 O ASP S 13 25 880 13. 881-1. 009 1. 00 76. 71 S ATOM 3093 N GLN S 14 26. 358 13. 715-3. 208 1. 00 77. 89 S ATOM 3094 CA GLN S 14 25. 097 13. 071-3. 539 1. 00 80. 00 S ATOM 3095 CB GLN S 14 25. 063 12. 714-5. 016 1. 00 81. 88 S ATOM 3096 CG GLN S 14 23. 696 12. 243-5. 521 1. 00 85. 01 S ATOM 3097 CD GLN S 14 23. 773 10. 884-6. 228 1. 00 86. 32 S ATOM 3098 OE1 GLN S 14 24. 124 9. 872-5. 612 1. 00 85. 65 S ATOM 3099 NE2 GLN S 14 23. 448 10. 863-7. 523 1. 00 84. 95 S ATOM 3100 C GLN S 14 24. 826 11. 832-2. 706 1. 00 80. 19 S ATOM 3101 0 GLN S 14 23. 692 11. 427-2. 551 1. 00 79. 81 S ATOM 3102 N ARG S 15 25. 864 11. 217-2. 169 1. 00 82. 78 S ATOM 3103 CA ARG S 15 25. 665 10. 031-1. 342 1. 00 85. 44 S ATOM 3104 CB ARG S 15 27. 006 9. 361-0. 990 1. 00 91. 29 S ATOM 3105 CG ARG S 15 27. 868 8. 915-2. 175 1. 00 99. 36 S ATOM 3106 CD ARG S 15 29. 199 8. 328-1. 682 1. 00104. 71 S ATOM 3107 NE ARG S 15 30. 047 7. 895-2. 793 1. 00111. 14 S ATOM 3108 CZ ARG S 15 29. 735 6. 918-3. 651 1. 00114. 32 S ATOM 3109 NH1 ARG S 15 28. 576 6. 249-3. 532 1. 00115. 35 S ATOM 3110 NH2 ARG S 15 30. 585 6. 610-4. 638 1. 00116. 36 S ATOM 3111 C ARG S 15 24. 987 10. 447-0. 051 1. 00 83. 12 S ATOM 3112 O ARG S 15 23. 904 9. 987 0. 269 1. 00 82. 26 S ATOM 3113 N ASN S 16 25. 662 11. 326 0. 685 1. 00 82. 29 S ATOM 3114 CA ASN S 16 25. 203 11. 839 1. 973 1. 00 80. 01 S ATOM 3115 CB ASN S 16 26. 308 12. 694 2. 600 1. 00 80. 36 S ATOM 3116 CG ASN S 16 25. 900 13. 297 3. 922 1. 00 81. 07 S ATOM 3117 OD1 ASN S 16 25. 178 14. 273 3. 961 1. 00 81. 52 S ATOM 3118 ND2 ASN S 16 26. 360 12. 709 5. 014 1. 00 83. 07 S ATOM 3119 C ASN S 16 23. 918 12. 643 1. 851 1. 00 77. 80 S ATOM 3120 O ASN S 16 23. 086 12. 641 2. 758 1. 00 76. 98 S ATOM 3121 N ARG S 17 23. 748 13. 329 0. 727 1. 00 75. 59 S ATOM 3122 CA ARG S 17 22. 543 14. 107 0. 526 1. 00 74. 45 S ATOM 3123 CB ARG S 17 22. 668 14. 985-0. 716 1. 00 74. 37 S ATOM 3124 CG ARG S 17 21. 598 16. 048-0. 802 1. 00 75. 54 S ATOM 3125 CD ARG S 17 21. 727 16. 895-2. 036 1. 00 78. 16 S ATOM 3126 NE ARG S 17 21. 417 16. 126-3. 232 1. 00 84. 08 S ATOM 3127 CZ ARG S 17 22. 315 15. 783-4. 155 1. 00 87. 08 S ATOM 3128 NH1 ARG S 17 23. 592 16. 151-4. 017 1. 00 87. 10 S ATOM 3129 NH2 ARG S 17 21. 939 15. 063-5. 213 1. 00 88. 08 S ATOM 3130 C ARG S 17 21. 343 13. 182 0. 383 1. 00 72. 78 S ATOM 3131 O ARG S 17 20. 218 13. 587 0. 608 1. 00 75. 03 S ATOM 3132 N GLN S 18 21. 589 11. 932 0. 022 1. 00 72. 64 S ATOM 3133 CA GLN S 18 20. 520 10. 954-0. 164 1. 00 71. 42 S ATOM 3134 CB GLN S 18 20. 910 9. 984-1. 285 1. 00 74. 85 S ATOM 3135 CG GLN S 18 20. 035 8. 751-1. 448 1. 00 79. 80 S ATOM 3136 CD GLN S 18 18. 607 9. 094-1. 807 1. 00 84. 57 S ATOM 3137 OE1 GLN S 18 18. 344 9. 802-2. 797 1. 00 86. 73 S ATOM 3138 NE2 GLN S 18 17. 663 8. 594-1. 004 1. 00 85. 87 S ATOM 3139 C GLN S 18 20. 273 10. 204 1. 121 1. 00 68. 50 S ATOM 3140 O GLN S 18 19. 138 9. 867 1. 441 1. 00 68. 08 S ATOM 3141 N VAL S 19 21. 342 9. 939 1. 858 1. 00 66. 28 S ATOM 3142 CA VAL S 19 21. 229 9. 234 3. 128 1. 00 65. 72 S ATOM 3143 CB VAL S 19 22. 613 9. 026 3. 788 1. 00 67. 50 S ATOM 3144 CG1 VAL S 19 22. 481 8. 171 5. 036 1. 00 68. 69 S ATOM 3145 CG2 VAL S 19 23. 580 8. 428 2. 802 1. 00 66. 38 S ATOM 3146 C VAL S 19 20. 401 10. 109 4. 064 1. 00 64. 20 S ATOM 3147 O VAL S 19 19. 427 9. 641 4. 661 1. 00 62. 52 S ATOM 3148 N THR S 20 20. 809 11. 386 4. 168 1. 00 63. 23 S ATOM 3149 CA THR S 20 20. 158 12. 393 5. 020 1. 00 60. 16 S ATOM 3150 CB THR S 20 20. 880 13. 735 4. 972 1. 00 58. 38 S ATOM 3151 OG1 THR S 20 22. 163 13. 629 5. 599 1. 00 58. 78 S ATOM 3152 CG2 THR S 20 20. 083 14. 746 5. 707 1. 00 59. 22 S ATOM 3153 C THR S 20 18. 689 12. 637 4. 668 1. 00 59. 32 S ATOM 3154 O THR S 20 17. 830 12. 658 5. 556 1. 00 59. 77 S ATOM 3155 N PHE S 21 18. 388 12. 814 3. 387 1. 00 55 88 S ATOM 3156 CA PHE S 21 17. 000 13. 012 2. 998 1. 00 55. 88 S ATOM 3157 CB PHE S 21 16. 856 12. 923 1. 498 1. 00 53. 60 S ATOM 3158 CG PHE S 21 15. 437 13. 030 1. 032 1. 00 53. 48 S ATOM 3159 CD1 PHE S 21 14. 840 14. 272 0. 873 1. 00 54. 34 S ATOM 3160 CD2 PHE S 21 14. 689 11. 892 0. 751 1. 00 54. 57 S ATOM 3161 CE1 PHE S 21 13. 511 14. 386 0. 432 1. 00 54. 56 S ATOM 3162 CE2 PHE S 21 13. 359 11. 997 0. 309 1. 00 55. 30 S ATOM 3163 CZ PHE S 21 12. 776 13. 239 0. 152 1. 00 55. 38 S ATOM 3164 C PHE S 21 16. 087 11. 962 3. 647 1. 00 56. 92 S ATOM 3165 O PHE S 21 15. 167 12. 283 4. 388 1. 00 57. 59 S ATOM 3166 N THR S 22 16. 353 10. 695 3. 368 1. 00 59. 60 S ATOM 3167 CA THR S 22 15. 573 9. 591 3. 940 1. 00 59. 38 S ATOM 3168 CB THR S 22 16. 169 8. 224 3. 536 1. 00 57. 04 S ATOM 3169 OG1 THR S 22 15. 950 8. 026 2. 134 1. 00 57. 63 S ATOM 3170 CG2 THR S 22 15. 524 7. 094 4. 317 1. 00 53. 65 S ATOM 3171 C THR S 22 15. 454 9. 639 5. 472 1. 00 58. 60 S ATOM 3172 O THR S 22 14. 353 9. 511 6. 019 1. 00 58. 84 S ATOM 3173 N LYS S 23 16. 573 9. 808 6. 168 1. 00 57. 78 S ATOM 3174 CA LYS S 23 16. 516 9. 872 7. 617 1. 00 58. 64 S ATOM 3175 CB LYS S 23 17. 897 10. 172 8. 186 1. 00 59. 76 S ATOM 3176 CG LYS S 23 18. 821 8. 987 8. 300 1. 00 62. 70 S ATOM 3177 CD LYS S 23 20. 067 9. 384 9. 101 1. 00 65. 56 S ATOM 3178 CE LYS S 23 21. 053 8. 240 9. 231 1. 00 67. 98 S ATOM 3179 NZ LYS S 23 22. 327 8. 688 9. 894 1. 00 69. 22 S ATOM 3180 C LYS S 23 15. 523 10. 945 8. 099 1. 00 57. 93 S ATOM 3181 O LYS S 23 14. 506 10. 639 8. 741 1. 00 57. 58 S ATOM 3182 N ARG S 24 15. 830 12. 202 7. 785 1. 00 56. 11 S ATOM 3183 CA ARG S 24 15. 001 13. 324 8. 192 1. 00 53. 98 S ATOM 3184 CB ARG S 24 15. 638 14. 623 7. 737 1. 00 52. 95 S ATOM 3185 CG ARG S 24 16. 813 15. 023 8. 590 1. 00 49. 77 S ATOM 3186 CD ARG S 24 17. 735 15. 951 7. 841 1. 00 52. 81 S ATOM 3187 NE ARG S 24 18. 592 16. 707 8. 755 1. 00 56. 17 S ATOM 3188 CZ ARG S 24 18. 183 17. 723 9. 518 1. 00 54. 04 S ATOM 3189 NH1 ARG S 24 16. 910 18. 118 9. 476 1. 00 53. 74 S ATOM 3190 NH2 ARG S 24 19. 051 18. 340 10. 317 1. 00 49. 33 S ATOM 3191 C ARG S 24 13. 576 13. 223 7. 681 1. 00 55. 06 S ATOM 3192 O ARG S 24 12. 634 13. 298 8. 469 1. 00 56. 57 S ATOM 3193 N LYS S 25 13. 399 13. 043 6. 378 1. 00 53. 14 S ATOM 3194 CA LYS S 25 12. 047 12. 919 5. 869 1. 00 52. 21 S ATOM 3195 CB LYS S 25 12. 025 12. 163 4. 549 1. 00 50. 74 S ATOM 3196 CG LYS S 25 10. 612 11. 787 4. 098 1. 00 51. 48 S ATOM 3197 CD LYS S 25 10. 561 11. 456 2. 607 1. 00 56. 65 S ATOM 3198 CE LYS S 25 11. 470 10. 265 2. 213 1. 00 56. 24 S ATOM 3199 NZ LYS S 25 11. 080 8. 984 2. 851 1. 00 57. 98 S ATOM 3200 C LYS S 25 11. 229 12. 158 6. 892 1. 00 52. 57 S ATOM 3201 O LYS S 25 10. 157 12. 593 7. 301 1. 00 52. 74 S ATOM 3202 N PHE S 26 11. 764 11. 031 7. 342 1. 00 54. 89 S ATOM 3203 CA PHE S 26 11. 056 10. 214 8. 310 1. 00 55. 12 S ATOM 3204 CB PHE S 26 11. 813 8. 914 8. 587 1. 00 54. 56 S ATOM 3205 CG PHE S 26 11. 041 7. 958 9. 442 1. 00 53. 81 S ATOM 3206 CD1 PHE S 26 9. 820 7. 450 9. 001 1. 00 52. 22 S ATOM 3207 CD2 PHE S 26 11. 468 7. 668 10. 736 1. 00 55. 88 S ATOM 3208 CE1 PHE S 26 9. 021 6. 677 9. 837 1. 00 53. 42 S ATOM 3209 CE2 PHE S 26 10. 684 6. 897 11. 590 1. 00 56. 86 S ATOM 3210 CZ PHE S 26 9. 449 6. 400 11. 142 1. 00 56. 30 S ATOM 3211 C PHE S 26 10. 815 10. 964 9. 616 1. 00 55. 01 S ATOM 3212 O PHE S 26 9. 676 11. 080 10. 072 1. 00 54. 62 S ATOM 3213 N GLY S 27 11. 874 11. 476 10. 224 1. 00 54. 51 S ATOM 3214 CA GLY S 27 11. 689 12. 208 11. 468 1. 00 59. 16 S ATOM 3215 C GLY S 27 10. 626 13. 293 11. 356 1. 00 59. 88 S ATOM 3216 O GLY S 27 9. 802 13. 487 12. 238 1. 00 59. 46 S ATOM 3217 N LEU S 28 10. 655 13. 997 10. 235 1. 00 60. 79 S ATOM 3218 CA LEU S 28 9. 707 15. 057 9. 970 1. 00 60. 04 S ATOM 3219 CB LEU S 28 9. 985 15. 691 8. 610 1. 00 59. 87 S ATOM 3220 CG LEU S 28 9. 140 16. 897 8. 223 1. 00 59. 28 S ATOM 3221 CD1 LEU S 28 9. 636 18. 142 8. 972 1. 00 58. 21 S ATOM 3222 CD2 LEU S 28 9. 253 17. 084 6. 719 1. 00 60. 13 S ATOM 3223 C LEU S 28 8. 316 14. 472 9. 994 1. 00 59. 63 S ATOM 3224 O LEU S 28 7. 448 14. 994 10. 659 1. 00 61. 53 S ATOM 3225 N MET S 29 8. 097 13. 379 9. 277 1. 00 60. 56 S ATOM 3226 CA MET S 29 6. 771 12. 763 9. 264 1. 00 61. 00 S ATOM 3227 CB MET S 29 6. 705 11. 606 8. 283 1. 00 58. 96 S ATOM 3228 CG MET S 29 7. 186 11. 918 6. 917 1. 00 59. 79 S ATOM 3229 SD MET S 29 6. 662 10. 628 5. 800 1. 00 63. 20 S ATOM 3230 CE MET S 29 5. 745 11. 535 4. 584 1. 00 64. 36 S ATOM 3231 C MET S 29 6. 438 12. 224 10. 640 1. 00 62. 61 S ATOM 3232 O MET S 29 5. 272 12. 076 10. 990 1. 00 62. 77 S ATOM 3233 N LYS S 30 7. 472 11. 909 11. 413 1. 00 64. 76 S ATOM 3234 CA LYS S 30 7. 260 11. 395 12. 749 1. 00 66. 55 S ATOM 3235 CB LYS S 30 8. 572 10. 897 13. 360 1. 00 67. 10 S ATOM 3236 CG LYS S 30 8. 429 10. 276 14. 751 1. 00 66. 65 S ATOM 3237 CD LYS S 30 9. 810 9. 956 15. 322 1. 00 67. 65 S ATOM 3238 CE LYS S 30 9. 749 9. 333 16. 723 1. 00 67. 71 S ATOM 3239 NZ LYS S 30 11. 133 9. 065 17. 265 1. 00 63. 50 S ATOM 3240 C LYS S 30 6. 713 12. 557 13. 560 1. 00 67. 31 S ATOM 3241 O LYS S 30 5. 626 12. 476 14. 124 1. 00 68. 58 S ATOM 3242 N LYS S 31 7. 456 13. 651 13. 607 1. 00 67. 43 S ATOM 3243 CA LYS S 31 6. 981 14. 784 14. 363 1. 00 69. 05 S ATOM 3244 CB LYS S 31 7. 983 15. 933 14. 283 1. 00 67. 15 S ATOM 3245 CG LYS S 31 9. 189 15. 728 15. 149 1. 00 64. 92 S ATOM 3246 CD LYS S 31 9. 827 17. 056 15. 494 1. 00 66. 64 S ATOM 3247 CE LYS S 31 10. 805 16. 904 16. 652 1. 00 68. 47 S ATOM 3248 NZ LYS S 31 10. 201 16. 162 17. 795 1. 00 67. 21 S ATOM 3249 C LYS S 31 5. 587 15. 234 13. 901 1. 00 72. 01 S ATOM 3250 O LYS S 31 4. 763 15. 628 14. 720 1. 00 72. 23 S ATOM 3251 N ALA S 32 5. 314 15. 165 12. 599 1. 00 75. 51 S ATOM 3252 CA ALA S 32 4. 011 15. 572 12. 086 1. 00 78. 07 S ATOM 3253 CB ALA S 32 3. 917 15. 336 10. 587 1. 00 79. 75 S ATOM 3254 C ALA S 32 3. 004 14. 715 12. 814 1. 00 79. 48 S ATOM 3255 O ALA S 32 2. 097 15. 236 13. 457 1. 00 82. 30 S ATOM 3256 N TYR S 33 3. 165 13. 402 12. 714 1. 00 80. 24 S ATOM 3257 CA TYR S 33 2. 274 12. 473 13. 399 1. 00 82. 37 S ATOM 3258 CB TYR S 33 2. 828 11. 061 13. 248 1. 00 83. 46 S ATOM 3259 CG TYR S 33 2. 666 10. 196 14. 471 1. 00 83. 75 S ATOM 3260 CD1 TYR S 33 1. 479 9. 506 14. 702 1. 00 84. 60 S ATOM 3261 CE1 TYR S 33 1. 308 8. 721 15. 847 1. 00 85. 51 S ATOM 3262 CD2 TYR S 33 3. 693 10. 089 15. 416 1. 00 83. 28 S ATOM 3263 CE2 TYR S 33 3. 539 9. 314 16. 560 1. 00 84. 49 S ATOM 3264 CZ TYR S 33 2. 338 8. 626 16. 773 1. 00 85-11 S ATOM 3265 OH TYR S 33 2. 159 7. 837 17. 895 1. 00 84. 43 S ATOM 3266 C TYR S 33 2. 131 12. 829 14. 891 1. 00 82. 61 S ATOM 3267 O TYR S 33 1. 030 12. 872 15. 441 1. 00 80. 67 S ATOM 3268 N GLU S 34 3. 252 13. 073 15. 551 1. 00 83. 50 S ATOM 3269 CA GLU S 34 3. 187 13. 430 16. 952 1. 00 84. 93 S ATOM 3270 CB GLU S 34 4. 579 13. 753 17. 508 1. 00 87. 65 S ATOM 3271 CG GLU S 34 5. 540 12. 565 17. 507 1. 00 91. 49 S ATOM 3272 CD GLU S 34 6. 715 12. 775 18. 466 1. 00 94. 31 S ATOM 3273 OE1 GLU S 34 7. 349 13. 857 18. 434 1. 00 95. 56 S ATOM 3274 OE2 GLU S 34 7. 006 11. 854 19. 259 1. 00 96. 32 S ATOM 3275 C GLU S 34 2. 268 14. 633 17. 105 1. 00 83. 89 S ATOM 3276 O GLU S 34 1. 244 14. 548 17. 775 1. 00 84. 09 S ATOM 3277 N LEU S 35 2. 624 15. 748 16. 471 1. 00 83. 45 S ATOM 3278 CA LEU S 35 1. 811 16. 967 16. 549 1. 00 82. 88 S ATOM 3279 CB LEU S 35 2. 319 18. 023 15. 552 1. 00 83. 80 S ATOM 3280 CG LEU S 35 1. 576 19. 364 15. 549 1. 00 85. 87 S ATOM 3281 CD1 LEU S 35 1. 567 19. 962 16. 968 1. 00 86. 06 S ATOM 3282 CD2 LEU S 35 2. 237 20. 312 14. 565 1. 00 84. 99 S ATOM 3283 C LEU S 35 0. 349 16. 646 16. 257 1. 00 81. 15 S ATOM 3284 O LEU S 35-0. 569 17. 175 16. 882 1. 00 80. 54 S ATOM 3285 N SER S 36 0. 148 15. 757 15. 300 1. 00 78. 86 S ATOM 3286 CA SER S 36-1. 183 15. 342 14. 911 1. 00 77. 87 S ATOM 3287 CB SER S 36-1. 072 14. 291 13. 823 1. 00 76. 69 S ATOM 3288 OG SER S 36-2. 326 13. 700 13. 574 1. 00 76. 48 S ATOM 3289 C SER S 36-1. 992 14. 771 16. 073 1. 00 78. 56 S ATOM 3290 O SER S 36-3. 134 15. 176 16. 308 1. 00 78. 03 S ATOM 3291 N VAL S 37-1. 392 13. 820 16. 794 1. 00 79. 00 S ATOM 3292 CA VAL S 37-2. 036 13. 151 17. 932 1. 00 75. 76 S ATOM 3293 CB VAL S 37-1. 372 11. 787 18. 210 1. 00 75. 75 S ATOM 3294 CG1 VAL S 37-2. 032 11. 129 19. 380 1. 00 76. 01 S ATOM 3295 CG2 VAL S 37-1. 485 10. 893 16. 985 1. 00 74. 33 S ATOM 3296 C VAL S 37-2. 008 13. 993 19. 199 1. 00 73. 56 S ATOM 3297 O VAL S 37-3. 037 14. 223 19. 820 1. 00 72. 06 S ATOM 3298 N LEU S 38-0. 829 14. 463 19. 571 1. 00 72. 60 S ATOM 3299 CA LEU S 38-0. 691 15. 295 20. 756 1. 00 74. 72 S ATOM 3300 CB LEU S 38 0. 677 15. 986 20. 783 1. 00 74. 12 S ATOM 3301 CG LEU S 38 1. 910 15. 186 21. 215 1. 00 74. 80 S ATOM 3302 CD1 LEU S 38 3. 164 15. 937 20. 826 1. 00 72. 83 S ATOM 3303 CD2 LEU S 38 1. 864 14 939 22. 731 1. 00 75. 36 S ATOM 3304 C LEU S 38-1. 761 16. 362 20. 838 1. 00 76. 14 S ATOM 3305 O LEU S 38-2. 533 16. 404 21. 787 1. 00 78. 61 S ATOM 3306 N CYS S 39-1. 806 17 224 19. 829 1. 00 77. 01 S ATOM 3307 CA CYS S 39-2. 754 18. 330 19. 801 1. 00 76. 73 S ATOM 3308 CB CYS S 39-2. 015 19. 583 19. 329 1. 00 75. 38 S ATOM 3309 SG CYS S 39-0. 461 19 876 20. 220 1. 00 75. 64 S ATOM 3310 C CYS S 39-4. 038 18. 110 18. 973 1. 00 77. 55 S ATOM 3311 O CYS S 39-4. 748 19. 065 18. 645 1. 00 78. 81 S ATOM 3312 N ASP S 40-4. 341 16. 855 18. 646 1. 00 76. 60 S ATOM 3313 CA ASP S 40-5. 550 16. 528 17. 901 1. 00 75. 91 S ATOM 3314 CB ASP S 40-6. 726 16. 493 18. 868 1. 00 78. 45 S ATOM 3315 CG ASP S 40-8. 073 16. 400 18. 166 1. 00 82. 01 S ATOM 3316 OD1 ASP S 40-8. 228 15. 517 17. 284 1. 00 82. 60 S ATOM 3317 OD2 ASP S 40-8. 981 17. 203 18. 521 1. 00 83. 36 S ATOM 3318 C ASP S 40-5. 833 17. 486 16. 765 1. 00 75. 41 S ATOM 3319 O ASP S 40-6. 725 18. 298 16. 831 1. 00 74. 88 S ATOM 3320 N CYS S 41-5. 044 17. 389 15. 709 1. 00 76. 02 S ATOM 3321 CA CYS S 41-5. 206 18. 237 14. 531 1. 00 74. 43 S ATOM 3322 CB CYS S 41-4. 325 19. 472 14. 642 1. 00 73. 03 S ATOM 3323 SG CYS S 41-2. 608 19. 113 14. 693 1. 00 74. 90 S ATOM 3324 C CYS S 41-4. 830 17. 459 13. 271 1. 00 73. 46 S ATOM 3325 O CYS S 41-4. 061 16. 506 13. 321 1. 00 73. 22 S ATOM 3326 N GLU S 42-5. 395 17. 858 12. 139 1. 00 72. 75 S ATOM 3327 CA GLU S 42-5. 112 17. 200 10. 866 1. 00 72. 35 S ATOM 3328 CB GLU S 42-6. 321 17. 309 9. 935 1. 00 74. 76 S ATOM 3329 CG GLU S 42-7. 609 16. 869 10. 549 1. 00 78. 11 S ATOM 3330 CD GLU S 42-8. 727 16. 839 9. 532 1. 00 81. 97 S ATOM 3331 OE1 GLU S 42-8. 574 16. 099 8. 516 1. 00 82. 44 S ATOM 3332 OE2 GLU S 42-9. 745 17. 555 9. 757 1. 00 81. 68 S ATOM 3333 C GLU S 42-3. 902 17. 834 10. 176 1. 00 69. 88 S ATOM 3334 O GLU S 42-3. 731 19. 060 10. 222 1. 00 70. 83 S ATOM 3335 N ILE S 43-3. 073 17. 009 9. 539 1. 00 65. 98 S ATOM 3336 CA ILE S 43-1. 916 17. 518 8. 836 1. 00 61. 25 S ATOM 3337 CB ILE S 43-0. 654 17. 342 9. 651 1. 00 59. 83 S ATOM 3338 CG2 ILE S 43 0. 467 18. 140 9. 045 1. 00 62. 69 S ATOM 3339 CG1 ILE S 43-0. 888 17. 843 11. 067 1. 00 61. 26 S ATOM 3340 CD1 ILE S 43 0. 329 17. 713 11. 983 1. 00 59. 02 S ATOM 3341 C ILE S 43-1. 731 16. 797 7. 520 1. 00 47 S ATOM 3342 O ILE S 43-2. 127 15. 654 7. 361 1. 00 61. 05 S ATOM 3343 N ALA S 44-1. 152 17. 497 6. 559 1. 00 59. 05 S ATOM 3344 CA ALA S 44-0. 851 16. 942 5. 252 1. 00 54. 30 S ATOM 3345 CB ALA S 44-1. 743 17-525 4. 185 1. 00 51. 94 S ATOM 3346 C ALA S 44 0. 579 17. 397 5. 064 1. 00 54. 00 S ATOM 3347 O ALA S 44 0. 960 18. 512 5. 439 1. 00 53. 82 S ATOM 3348 N LEU S 45 1. 406 16. 526 4. 523 1. 00 54. 09 S ATOM 3349 CA LEU S 45 2. 798 16. 891 4. 338 1. 00 51. 76 S ATOM 3350 CB LEU S 45 3. 640 16. 220 5. 424 1. 00 48. 76 S ATOM 3351 CG LEU S 45 5. 142 16. 260 5. 269 1. 00 51. 37 S ATOM 3352 CD1 LEU S 45 5. 566 17. 655 4. 942 1. 00 53. 35 S ATOM 3353 CD2 LEU S 45 5. 797 15. 790 6. 546 1. 00 50. 27 S ATOM 3354 C LEU S 45 3. 181 16. 423 2. 943 1. 00 52. 35 S ATOM 3355 O LEU S 45 3. 132 15. 234 2. 657 1. 00 56. 65 S ATOM 3356 N ILE S 46 3. 508 17. 360 2. 066 1. 00 49. 62 S ATOM 3357 CA ILE S 46 3. 885 17. 038 0. 703 1. 00 46. 59 S ATOM 3358 CB ILE S 46 3. 091 17. 908-0. 263 1. 00 44. 59 S ATOM 3359 CG2 ILE S 46 3. 780 17. 972-1. 622 1. 00 44. 84 S ATOM 3360 CG1 ILE S 46 1. 664 17. 400-0. 344 1. 00 39. 26 S ATOM 3361 CD1 ILE S 46 0. 828 18. 201-1. 293 1. 00 33. 51 S ATOM 3362 C ILE S 46 5. 380 17. 262 0. 433 1. 00 48. 30 S ATOM 3363 O ILE S 46 5. 914 18. 330 0. 696 1. 00 49. 82 S ATOM 3364 N ILE S 47 6. 065 16. 265-0. 107 1. 00 48. 61 S ATOM 3365 CA ILE S 47 7. 475 16. 449-0. 420 1. 00 48. 25 S ATOM 3366 CB ILE S 47 8. 382 15. 617 0. 494 1. 00 44. 24 S ATOM 3367 CG2 ILE S 47 9. 767 16. 181 0. 474 1. 00 40. 84 S ATOM 3368 CG1 ILE S 47 7. 819 15. 608 1. 914 1. 00 42. 11 S ATOM 3369 CD1 ILE S 47 8. 802 15. 154 2. 956 1. 00 38. 63 S ATOM 3370 C ILE S 47 7. 773 16. 077-1. 879 1. 00 53. 76 S ATOM 3371 O ILE S 47 7. 181 15. 150-2. 447 1. 00 53. 42 S ATOM 3372 N PHE S 48 8. 698 16. 823-2. 472 1. 00 57. 31 S ATOM 3373 CA PHE S 48 9. 145 16. 617-3. 849 1. 00 60. 94 S ATOM 3374 CB PHE S 48 8. 551 17. 694-4. 759 1. 00 62. 02 S ATOM 3375 CG PHE S 48 7. 185 17. 368-5. 295 1. 00 62. 35 S ATOM 3376 CD1 PHE S 48 6. 260 18. 381-5. 521 1. 00 62. 61 S ATOM 3377 CD2 PHE S 48 6. 844 16. 066-5. 642 1. 00 62. 48 S ATOM 3378 CE1 PHE S 48 5. 013 18. 103-6. 088 1. 00 63. 19 S ATOM 3379 CE2 PHE S 48 5. 595 15. 777-6. 217 1. 00 62. 79 S ATOM 3380 CZ PHE S 48 4. 683 16. 798-6. 437 1. 00 62. 54 S ATOM 3381 C PHE S 48 10. 676 16. 734-3. 874 1. 00 63. 60 S ATOM 3382 O PHE S 48 11. 229 17. 717-3. 344 1. 00 61. 89 S ATOM 3383 N ASN S 49 11. 360 15. 750-4. 465 1. 00 66. 83 S ATOM 3384 CA ASN S 49 12. 818 15. 816-4. 529 1. 00 70. 91 S ATOM 3385 CB ASN S 49 13. 465 14. 457-4. 242 1. 00 71. 73 S ATOM 3386 CG ASN S 49 13. 091 13. 390-5. 271 1. 00 73. 02 S ATOM 3387 OD1 ASN S 49 12. 748 13. 700-6. 414 1. 00 72. 57 S ATOM 3388 ND2 ASN S 49 13. 180 12. 123-4. 870 1. 00 72. 17 S ATOM 3389 C ASN S 49 13. 266 16. 302-5. 893 1. 00 72. 92 S ATOM 3390 O ASN S 49 12. 431 16. 599-6. 755 1. 00 72. 66 S ATOM 3391 N SER S 50 14. 585 16. 380-6. 079 1. 00 75. 43 S ATOM 3392 CA SER S 50 15. 177 16. 828-7. 339 1. 00 78. 45 S ATOM 3393 CB SER S 50 16. 680 16. 566-7. 329 1. 00 80. 38 S ATOM 3394 OG SER S 50 17. 295 17. 180-6. 204 1. 00 84. 47 S ATOM 3395 C SER S 50 14. 553 16. 119-8. 530 1. 00 79. 15 S ATOM 3396 O SER S 50 14. 050 16. 745-9. 456 1. 00 79. 29 S ATOM 3397 N ALA S 51 14. 581 14. 799-8. 494 1. 00 80. 81 S ATOM 3398 CA ALA S 51 14. 016 14. 012-9. 573 1. 00 82. 94 S ATOM 3399 CB ALA S 51 14. 518 12. 565-9. 490 1. 00 82. 96 S ATOM 3400 C ALA S 51 12. 498 14. 044-9. 533 1. 00 84. 01 S ATOM 3401 O ALA S 51 11. 841 13. 198-10. 131 1. 00 85. 17 S ATOM 3402 N ASN S 52 11. 944 15. 015-8. 817 1. 00 84. 83 S ATOM 3403 CA ASN S 52 10. 493 15. 173-8. 707 1. 00 86. 34 S ATOM 3404 CB ASN S 52 9. 910 15. 611-10. 051 1. 00 86. 91 S ATOM 3405 CG ASN S 52 10. 112 17. 095-10. 315 1. 00 88. 27 S ATOM 3406 OD1 ASN S 52 11. 206 17. 637-10. 121 1. 00 88. 63 S ATOM 3407 ND2 ASN S 52 9. 057 17. 758-10. 766 1-00 87. 71 S ATOM 3408 C ASN S 52 9. 711 13. 969-8. 202 1. 00 86. 81 S ATOM 3409 O ASN S 52 8 562 13. 762-8. 581 1. 00 84. 98 S ATOM 3410 N ARG S 53 10. 327 13. 172-7. 344 1. 00 89. 77 S ATOM 3411 CA ARG S 53 9. 646 12. 003-6. 794 1. 00 92. 16 S ATOM 3412 CB ARG S 53 10. 671 10. 991-6. 265 1. 00 94. 89 S ATOM 3413 CG ARG S 53 10. 224 9. 535-6. 352 1. 00 97. 96 S ATOM 3414 CD ARG S 53 11. 306 8. 603-5. 803 1. 00100. 99 S ATOM 3415 NE ARG S 53 11. 088 7. 222-6. 210 1. 00101. 80 S ATOM 3416 CZ ARG S 53 11. 188 6. 796-7. 466 1. 00103. 04 S ATOM 3417 NH1 ARG S 53 11. 507 7. 644-8. 442 1. 00102. 99 S ATOM 3418 NH2 ARG S 53 10. 971 5. 520-7. 747 1. 00104. 32 S ATOM 3419 C ARG S 53 8. 755 12. 505-5. 656 1. 00 91. 50 S ATOM 3420 O ARG S 53 9. 223 13. 210-4. 751 1. 00 91. 77 S ATOM 3421 N LEU S 54 7. 476 12. 151-5. 705 1. 00 90. 46 S ATOM 3422 CA LEU S 54 6. 537 12. 597-4. 685 1. 00 69 S ATOM 3423 CB LEU S 54 5. 133 12. 689-5. 269 1. 00 89. 42 S ATOM 3424 CG LEU S 54 4 058 12. 920-4. 211 1. 00 88. 73 S ATOM 3425 CD1 LEU S 54 4. 376 14. 200-3. 462 1. 00 89. 60 S ATOM 3426 CD2 LEU S 54 2. 689 12 992-4. 856 1. 00 87. 72 S ATOM 3427 C LEU S 54 6. 471 11. 730-3. 434 1. 00 89. 99 S ATOM 3428 O LEU S 54 6. 325 10. 501-3. 519 1. 00 91. 08 S ATOM 3429 N PHE S 55 6. 566 12. 376-2. 275 1. 00 87. 97 S ATOM 3430 CA PHE S 55 6. 484 11. 676-1. 005 1. 00 86. 24 S ATOM 3431 CB PHE S 55 7. 825 11. 723-0. 275 1. 00 85. 02 S ATOM 3432 CG PHE S 55 8. 957 11. 122-1. 036 1. 00 83. 12 S ATOM 3433 CD1 PHE S 55 9. 415 11. 710-2. 199 1. 00 83. 45 S ATOM 3434 CD2 PHE S 55 9. 590 9. 992-0. 570 1. 00 82. 30 S ATOM 3435 CE1 PHE S 55 10. 497 11. 186-2. 892 1. 00 82. 88 S ATOM 3436 CE2 PHE S 55 10. 671 9. 459-1. 250 1. 00 83. 77 S ATOM 3437 CZ PHE S 55 11. 127 10. 062-2. 422 1. 00 83. 55 S ATOM 3438 C PHE S 55 5. 444 12. 453-0. 209 1. 00 85. 54 S ATOM 3439 O PHE S 55 5. 434 13. 681-0. 248 1. 00 86. 70 S ATOM 3440 N GLN S 56 4. 568 11. 761 0. 505 1. 00 83. 42 S ATOM 3441 CA GLN S 56 3. 564 12. 468 1. 262 1. 00 83. 09 S ATOM 3442 CB GLN S 56 2. 302 12. 616 0. 431 1. 00 83. 44 S ATOM 3443 CG GLN S 56 1. 608 11. 310 0. 178 1. 00 85. 29 S ATOM 3444 CD GLN S 56 0. 270 11. 481-0. 497 1. 00 86. 60 S ATOM 3445 OE1 GLN S 56 0. 178 12. 061-1. 582 1. 00 85. 32 S ATOM 3446 NE2 GLN S 56-0. 782 10. 968 0. 141 1. 00 87. 88 S ATOM 3447 C GLN S 56 3. 221 11. 807 2. 568 1. 00 82. 77 S ATOM 3448 O GLN S 56 3. 652 10. 706 2. 852 1. 00 83. 39 S ATOM 3449 N TYR S 57 2. 435 12. 509 3. 364 1. 00 83. 42 S ATOM 3450 CA TYR S 57 1. 982 12. 029 4. 656 1. 00 84. 41 S ATOM 3451 CB TYR S 57 2. 937 12. 437 5. 758 1. 00 83. 42 S ATOM 3452 CG TYR S 57 2. 278 12. 516 7. 115 1. 00 81. 11 S ATOM 3453 CD1 TYR S 57 2. 074 11. 385 7. 879 1. 00 80. 39 S ATOM 3454 CE1 TYR S 57 1. 501 11. 464 9. 134 1. 00 81. 54 S ATOM 3455 CD2 TYR S 57 1. 880 13. 734 7. 636 1. 00 82. 76 S ATOM 3456 CE2 TYR S 57 1. 298 13. 827 8. 896 1. 00 83. 75 S ATOM 3457 CZ TYR S 57 1. 119 12. 690 9. 642 1. 00 83. 03 S ATOM 3458 OH TYR S 57 0. 598 12. 801 10. 911 1. 00 81. 57 S ATOM 3459 C TYR S 57 0. 647 12. 676 4. 935 1. 00 85. 49 S ATOM 3460 O TYR S 57 0. 315 13. 710 4. 355 1. 00 86. 88 S ATOM 3461 N ALA S 58-0. 111 12. 079 5. 839 1. 00 85. 77 S ATOM 3462 CA ALA S 58-1. 404 12. 622 6. 171 1. 00 86. 59 S ATOM 3463 CB ALA S 58-2. 397 12. 328 5. 051 1. 00 84. 92 S ATOM 3464 C ALA S 58-1. 831 11. 953 7. 455 1. 00 88. 07 S ATOM 3465 O ALA S 58-1. 827 10. 725 7. 547 1. 00 90. 00 S ATOM 3466 N SER S 59-2. 180 12. 758 8. 452 1. 00 88. 47 S ATOM 3467 CA SER S 59-2. 609 12. 223 9. 728 1. 00 87. 94 S ATOM 3468 CB SER S 59-2. 987 13. 365 10. 678 1. 00 88. 28 S ATOM 3469 OG SER S 59-4. 047 14. 153 10. 167 1. 00 87. 76 S ATOM 3470 C SER S 59-3. 770 11. 240 9. 560 1. 00 87. 51 S ATOM 3471 O SER S 59-3. 870 10. 267 10. 297 1. 00 88. 30 S ATOM 3472 N THR S 60-4. 634 11-474 8. 582 1. 00 87. 42 S ATOM 3473 CA THR S 60-5. 762 10. 577 8. 352 1. 00 89. 58 S ATOM 3474 CB THR S 60-7. 076 11. 186 8. 821 1. 00 92. 23 S ATOM 3475 OG1 THR S 60-7. 295 12. 424 8. 128 1. 00 96. 08 S ATOM 3476 CG2 THR S 60-7. 036 11. 448 10-334 1. 00 94. 18 S ATOM 3477 C THR S 60-5. 925 10. 247 6. 881 1. 00 88. 64 S ATOM 3478 O THR S 60-5. 713 9. 107 6. 467 1. 00 90. 47 S ATOM 3479 N ASP S 61-6. 304 11. 242 6. 085 1. 00 86. 65 S ATOM 3480 CA ASP S 61-6. 489 11. 019 4. 657 1. 00 85. 20 S ATOM 3481 CB ASP S 61-7. 953 10. 683 4. 381 1. 00 84. 39 S ATOM 3482 CG ASP S 61-8. 267 10. 584 2. 912 1. 00 84. 49 S ATOM 3483 OD1 ASP S 61-7. 329 10. 576 2. 088 1. 00 84. 32 S ATOM 3484 OD2 ASP S 61-9. 467 10. 512 2. 583 1. 00 84. 31 S ATOM 3485 C ASP S 61-6. 048 12. 237 3. 852 1. 00 84. 91 S ATOM 3486 O ASP S 61-6. 676 13. 303 3. 919 1. 00 86. 91 S ATOM 3487 N MET S 62-4. 969 12. 061 3. 089 1. 00 82. 05 S ATOM 3488 CA MET S 62-4. 379 13. 116 2. 262 1. 00 78. 17 S ATOM 3489 CB MET S 62-3. 209 12. 535 1. 471 1. 00 74. 70 S ATOM 3490 CG MET S 62-2. 660 13. 446 0. 402 1. 00 67. 54 S ATOM 3491 SD MET S 62-2. 107 14. 915 1. 145 1. 00 61. 73 S ATOM 3492 CE MET S 62-0. 528 14. 469 1. 711 1. 00 59. 58 S ATOM 3493 C MET S 62-5. 309 13. 851 1. 289 1. 00 78. 03 S ATOM 3494 O MET S 62-4. 901 14. 835 0. 668 1. 00 77. 61 S ATOM 3495 N ASP S 63-6. 541 13. 379 1. 144 1. 00 76. 96 S ATOM 3496 CA ASP S 63-7. 465 14. 022 0. 230 1. 00 77. 10 S ATOM 3497 CB ASP S 63-8. 260 12. 980-0. 539 1. 00 76. 36 S ATOM 3498 CG ASP S 63-7. 679 12. 707-1. 898 1. 00 75. 58 S ATOM 3499 OD1 ASP S 63-6. 462 12. 908-2. 080 1. 00 74. 36 S ATOM 3500 OD2 ASP S 63-8. 438 12. 273-2. 780 1. 00 73. 57 S ATOM 3501 C ASP S 63-8. 405 14. 951 0. 939 1. 00 77. 41 S ATOM 3502 0 ASP S 63-8. 587 16. 091 0. 511 1. 00 78. 26 S ATOM 3503 N ARG S 64-9. 013 14. 462 2. 014 1. 00 77. 49 S ATOM 3504 CA ARG S 64-9. 941 15. 267 2. 788 1. 00 76. 26 S ATOM 3505 CB ARG S 64-10. 489 14. 457 3. 965 1. 00 78. 75 S ATOM 3506 CG ARG S 64-11. 628 13. 511 3. 594 1. 00 85. 93 S ATOM 3507 CD ARG S 64-12. 178 12. 744 4. 819 1. 00 90. 75 S ATOM 3508 NE ARG S 64-12. 574 13. 650 5. 901 1. 00 95. 44 S ATOM 3509. CZ ARG S 64-11. 742 14. 136 6. 824 1. 00 96. 03 S ATOM 3510 NH1 ARG S 64-10. 456 13. 803 6. 811 1. 00 97. 14 S ATOM 3511 NH2 ARG S 64-12. 192 14. 962 7. 761 1. 00 96. 60 S ATOM 3512 C ARG S 64-9. 244 16. 518 3. 308 1. 00 73. 11 S ATOM 3513 O ARG S 64-9. 864 17. 580 3. 439 1. 00 74. 19 S ATOM 3514 N VAL S 65-7. 959 16. 400 3. 610 1. 00 68. 16 S ATOM 3515 CA VAL S 65-7. 235 17. 538 4. 134 1. 00 65. 75 S ATOM 3516 CB VAL S 65-5. 869 17. 137 4. 684 1. 00 63. 92 S ATOM 3517 CG1 VAL S 65-5. 052 18. 369 4. 994 1. 00 61. 58 S ATOM 3518 CG2 VAL S 65-6. 042 16. 319 5. 926 1 00 65. 77 S ATOM 3519 C VAL S 65-7. 006 18. 569 3. 056 1. 00 66. 73 S ATOM 3520 O VAL S 65-7. 248 19. 761 3. 248 1. 00 68. 14 S ATOM 3521 N LEU S 66-6. 519 18. 099 1. 914 1. 00 66. 65 S ATOM 3522 CA LEU S 66-6. 212 18. 972 0. 798 1. 00 64. 00 S ATOM 3523 CB LEU S 66-5. 519 18. 164-0. 291 1. 00 59. 65 S ATOM 3524 CG LEU S 66-4. 078 18. 561-0. 590 1. 00 56. 83 S ATOM 3525 CD1 LEU S 66-3. 350 18. 970 0. 689 1. 00 54. 66 S ATOM 3526 CD2 LEU S 66-3. 401 17. 400-1. 273 1. 00 56. 47 S ATOM 3527 C LEU S 66-7. 472 19. 655 0. 278 1. 00 65. 19 S ATOM 3528 O LEU S 66-7. 410 20. 729-0. 306 1. 00 66. 93 S ATOM 3529 N LEU S 67-8. 625 19. 048 0. 508 1. 00 64. 98 S ATOM 3530 CA LEU S 67-9. 877 19. 651 0. 076 1. 00 66. 23 S ATOM 3531 CB LEU S 67-10. 980 18. 609 0. 069 1. 00 65. 08 S ATOM 3532 CG LEU S 67-11. 889 18. 692-1. 144 1. 00 65. 83 S ATOM 3533 CD1 LEU S 67-11. 095 18. 240-2. 372 1. 00 67. 19 S ATOM 3534 CD2 LEU S 67-13. 112 17. 819-0. 950 1. 00 65. 00 S ATOM 3535 C LEU S 67-10. 247 20. 762 1. 052 1. 00 68. 32 S ATOM 3536 O LEU S 67-10. 296 21. 934 0. 691 1. 00 67. 48 S ATOM 3537 N LYS S 68-10. 496 20. 375 2. 299 1. 00 70. 82 S ATOM 3538 CA LYS S 68-10. 856 21. 312 3. 354 1. 00 73. 38 S ATOM 3539 CB LYS S 68-10. 766 20. 652 4. 737 1. 00 74. 86 S ATOM 3540 CG LYS S 68-12. 059 20. 753 5. 553 1. 00 77. 63 S ATOM 3541 CD LYS S 68-12. 435 22. 215 5. 870 1. 00 77. 64 S ATOM 3542 CE LYS S 68-13. 750 22. 297 6. 692 1. 00 77. 49 S ATOM 3543 NZ LYS S 68-15. 009 22. 021 5. 906 1. 00 73. 69 S ATOM 3544 C LYS S 68-9. 910 22. 492 3. 311 1. 00 73. 09 S ATOM 3545 O LYS S 68-10. 055 23. 436 4. 104 1. 00 76. 26 S ATOM 3546 N TYR S 69-8. 947 22. 421 2. 394 1. 00 69. 82 S ATOM 3547 CA TYR S 69-7. 972 23. 467 2. 214 1. 00 67. 80 S ATOM 3548 CB TYR S 69-6. 597 22. 859 1. 972 1. 00 61. 82 S ATOM 3549 CG TYR S 69-5. 557 23. 886 1. 626 1. 00 58. 35 S ATOM 3550 CD1 TYR S 69-4. 846 24. 559 2. 619 1. 00 55. 70 S ATOM 3551 CE1 TYR S 69-3. 898 25. 513 2. 300 1. 00 53. 17 S ATOM 3552 CD2 TYR S 69-5. 292 24. 204 0. 299 1. 00 56. 32 S ATOM 3553 CE2 TYR S 69-4. 353 25. 155-0. 029 1. 00 53. 55 S ATOM 3554 CZ TYR S 69-3. 663 25. 798 0. 978 1. 00 53. 91 S ATOM 3555 OH TYR S 69-2. 716 26. 717 0. 654 1. 00 58. 40 S ATOM 3556 C TYR S 69-8. 367 24. 346 1. 027 1. 00 70. 62 S ATOM 3557 O TYR S 69-8. 350 25. 591 1. 132 1. 00 71. 22 S ATOM 3558 N THR S 70-8. 718 23. 712-0. 099 1. 00 71. 81 S ATOM 3559 CA THR S 70-9. 092 24. 461-1. 306 1. 00 71. 77 S ATOM 3560 CB THR S 70-9. 549 23. 535-2. 458 1. 00 70. 33 S ATOM 3561 OG1 THR S 70-10. 658 22. 734-2. 043 1. 00 68. 76 S ATOM 3562 CG2 THR S 70-8. 424 22. 638-2. 861 1. 00 69. 56 S ATOM 3563 C THR S 70-10. 199 25. 462-0. 991 1. 00 72. 41 S ATOM 3564 O THR S 70-10. 354 26. 483-1. 680 1. 00 73. 91 S ATOM 3565 N GLU S 71-10. 953 25. 163 0. 066 1. 00 71. 73 S ATOM 3566 CA GLU S 71-12. 043 26. 015 0. 508 1. 00 70. 35 S ATOM 3567 CB GLU S 71-13. 353 25. 231 0. 558 1. 00 68. 04 S ATOM 3568 CG GLU S 71-13. 186 23. 755 0. 803 1. 00 66. 31 S ATOM 3569 CD GLU S 71-14. 505 23. 022 0. 739 1. 00 66. 20 S ATOM 3570 OE1 GLU S 71-15. 359 23. 470-0. 053 1. 00 65. 91 S ATOM 3571 OE2 GLU S 71-14. 691 22. 006 1. 460 1. 00 67. 05 S ATOM 3572 C GLU S 71-11. 701 26. 546 1. 869 1. 00 70. 73 S ATOM 3573 O GLU S 71-12. 030 25. 958 2. 891 1. 00 71. 88 S ATOM 3574 N TYR S 72-11. 011 27. 668 1. 866 1. 00 72. 01 S ATOM 3575 CA TYR S 72-10. 607 28. 317 3. 092 1. 00 75. 04 S ATOM 3576 CB TYR S 72-9. 611 27. 443 3. 840 1. 00 73. 16 S ATOM 3577 CG TYR S 72-9. 408 27. 823 5. 286 1. 00 72. 81 S ATOM 3578 CD1 TYR S 72-9. 905 27. 023 6. 316 1. 00 72. 66 S ATOM 3579 CE1 TYR S 72-9. 683 27. 348 7. 666 1. 00 71. 15 S ATOM 3580 CD2 TYR S 72-8. 687 28. 962 5. 635 1. 00 71. 93 S ATOM 3581 CE2 TYR S 72-8. 456 29. 296 6. 986 1. 00 70. 86 S ATOM 3582 CZ TYR S 72-8. 960 28. 482 7. 986 1. 00 71. 03 S ATOM 3583 OH TYR S 72-8. 734 28. 800 9. 300 1. 00 70. 25 S ATOM 3584 C TYR S 72-9. 947 29. 571 2. 585 1. 00 77. 13 S ATOM 3585 O TYR S 72-8. 812 29. 541 2. 126 1. 00 77. 30 S ATOM 3586 N SER S 73-10. 682 30. 674 2. 623 1. 00 80. 15 S ATOM 3587 CA SER S 73-10. 154 31. 943 2. 138 1. 00 82. 88 S ATOM 3588 CB SER S 73-11. 230 32. 702 1. 353 1. 00 83. 51 S ATOM 3589 OG SER S 73-12. 384 32. 909 2. 152 1. 00 88. 61 S ATOM 3590 C SER S 73-9. 654 32. 769 3. 314 1. 00 83. 70 S ATOM 3591 O SER S 73-8. 545 33. 300 3. 269 1. 00 85. 07 S ATOM 3592 N GLU S 74-10. 468 32. 852 4. 366 1. 00 83. 71 S ATOM 3593 CA GLU S 74-10. 118 33. 581 5. 571 1. 00 83. 98 S ATOM 3594 CB GLU S 74-10. 925 33. 044 6. 752 1. 00 86. 12 S ATOM 3595 CG GLU S 74-11. 440 31. 626 6. 573 1. 00 90. 85 S ATOM 3596 CD GLU S 74-12. 488 31. 532 5. 471 1. 00 93. 57 S ATOM 3597 OE1 GLU S 74-12. 902 30. 396 5. 115 1. 00 96. 16 S ATOM 3598 OE2 GLU S 74-12. 896 32. 605 4. 963 1. 00 92. 12 S ATOM 3599 C GLU S 74-8. 626 33. 461 5. 846 1. 00 83. 80 S ATOM 3600 O GLU S 74-8. 060 32. 378 5. 785 1. 00 84. 04 S ATOM 3601 N PRO S 75-7. 962 34. 586 6. 134 1. 00 84. 25 S ATOM 3602 CD PRO S 75-8. 528 35. 943 6. 265 1. 00 84. 21 S ATOM 3603 CA PRO S 75-6. 522 34. 586 6. 412 1. 00 83. 50 S ATOM 3604 CB PRO S 75-6. 297 35. 972 7. 027 1. 00 84. 29 S ATOM 3605 CG PRO S 75-7. 292 36. 824 6. 299 1. 00 84. 07 S ATOM 3606 C PRO S 75-6. 078 33. 459 7. 351 1. 00 82. 67 S ATOM 3607 O PRO S 75-6. 895 32. 894 8. 084 1. 00 82. 71 S ATOM 3608 N HIS S 76-4. 784 33. 148 7. 318 1. 00 80. 89 S ATOM 3609 CA HIS S 76-4. 202 32. 123 8. 174 1. 00 78. 32 S ATOM 3610 CB HIS S 76-4. 580 30. 727 7. 684 1. 00 80. 74 S ATOM 3611 CG HIS S 76-4. 324 30. 498 6. 229 1. 00 82. 88 S ATOM 3612 CD2 HIS S 76-5. 175 30. 419 5. 178 1. 00 83. 62 S ATOM 3613 ND1 HIS S 76-3. 058 30. 319 5. 716 1. 00 83. 01 S ATOM 3614 CE1 HIS S 76-3. 141 30. 139 4. 410 1. 00 85. 71 S ATOM 3615 NE2 HIS S 76-4. 414 30. 194 4. 058 1. 00 85. 10 S ATOM 3616 C HIS S 76-2. 705 32. 290 8. 180 1. 00 76. 53 S ATOM 3617 O HIS S 76-2. 167 33. 051 7. 388 1. 00 75. 02 S ATOM 3618 N GLU S 77-2. 024 31. 603 9. 089 1. 00 75. 88 S ATOM 3619 CA GLU S 77-0. 565 31. 711 9. 161 1. 00 74. 79 S ATOM 3620 CB GLU S 77-0. 024 31. 074 10. 431 1. 00 74. 56 S ATOM 3621 CG GLU S 77 1. 496 31. 099 10. 479 1. 00 74. 55 S ATOM 3622 CD GLU S 77 2. 068 30. 039 11. 392 1. 00 74. 70 S ATOM 3623 OE1 GLU S 77 3. 281 30. 116 11. 681 1. 00 73. 59 S ATOM 3624 OE2 GLU S 77 1. 311 29. 129 11. 811 1. 00 75. 24 S ATOM 3625 C GLU S 77 0. 063 30. 998 7. 978 1. 00 74. 05 S ATOM 3626 O GLU S 77-0. 337 29. 881 7. 650 1. 00 73. 45 S ATOM 3627 N SER S 78 1. 044 31. 636 7. 345 1. 00 72. 61 S ATOM 3628 CA SER S 78 1. 712 31. 046 6. 192 1. 00 70. 76 S ATOM 3629 CB SER S 78 1. 082 31. 542 4. 902 1. 00 65. 90 S ATOM 3630 OG SER S 78-0. 286 31 229 4. 901 1. 00 62. 25 S ATOM 3631 C SER S 78 3. 189 31. 367 6. 184 1. 00 73. 25 S ATOM 3632 O SER S 78 3. 593 32. 429 5. 725 1. 00 73. 25 S ATOM 3633 N ARG S 79 3. 994 30. 441 6. 699 1. 00 75. 98 S ATOM 3634 CA ARG S 79 5. 438 30. 623 6. 747 1. 00 77. 87 S ATOM 3635 CB ARG S 79 6. 005 29. 926 7. 979 1. 00 79. 18 S ATOM 3636 CG ARG S 79 5. 644 30. 547 9. 314 1. 00 80. 90 S ATOM 3637 CD ARG S 79 6. 193 29. 635 10. 402 1. 00 84. 60 S ATOM 3638 NE ARG S 79 6. 103 30. 173 11. 758 1. 00 85. 87 S ATOM 3639 CZ ARG S 79 6. 750 31. 253 12. 181 1. 00 85. 77 S ATOM 3640 NH1 ARG S 79 7. 541 31. 937 11. 358 1. 00 83. 30 S ATOM 3641 NH2 ARG S 79 6. 618 31. 628 13. 446 1. 00 86. 90 S ATOM 3642 C ARG S 79 6. 162 30. 106 5. 494 1. 00 78. 55 S ATOM 3643 O ARG S 79 5. 548 29. 525 4. 593 1 00 77. 84 S ATOM 3644 N THR S 80 7. 472 30. 335 5. 465 1. 00 79. 26 S ATOM 3645 CA THR S 80 8. 326 29. 920 4. 366 1. 00 80. 80 S ATOM 3646 CB THR S 80 8. 334 30. 964 3. 240 1. 00 81. 47 S ATOM 3647 OG1 THR S 80 6. 988 31. 292 2. 888 1. 00 82. 17 S ATOM 3648 CG2 THR S 80 9. 044 30. 424 2. 011 1. 00 82. 91 S ATOM 3649 C THR S 80 9. 726 29. 825 4. 934 1. 00 82. 09 S ATOM 3650 O THR S 80 9. 955 30. 201 6. 077 1. 00 81. 08 S ATOM 3651 N GLN S 81 10. 663 29. 329 4. 135 1. 00 83. 46 S ATOM 3652 CA GLN S 81 12. 040 29. 202 4. 581 1. 00 85. 07 S ATOM 3653 CB GLN S 81 12. 834 28. 376 3. 591 1. 00 88. 61 S ATOM 3654 CG GLN S 81 12. 374 26. 957 3. 485 1. 00 92. 24 S ATOM 3655 CD GLN S 81 13. 368 26. 136 2. 708 1. 00 96. 59 S ATOM 3656 OE1 GLN S 81 13. 599 26. 379 1. 506 1. 00 97. 52 S ATOM 3657 NE2 GLN S 81 13. 993 25. 168 3. 390 1. 00 97. 83 S ATOM 3658 C GLN S 81 12. 669 30. 568 4. 723 1. 00 85. 31 S ATOM 3659 O GLN S 81 13. 575 30. 766 5. 532 1. 00 85. 25 S ATOM 3660 N THR S 82 12. 194 31. 508 3. 912 1. 00 86. 50 S ATOM 3661 CA THR S 82 12. 674 32. 889 3. 953 1. 00 86. 82 S ATOM 3662 CB THR S 82 11. 988 33. 737 2. 875 1. 00 86. 92 S ATOM 3663 OG1 THR S 82 10. 569 33. 737 3. 103 1. 00 87. 96 S ATOM 3664 CG2 THR S 82 12. 271 33. 167 1. 503 1. 00 87. 06 S ATOM 3665 C THR S 82 12. 267 33. 425 5. 330 1. 00 86. 68 S ATOM 3666 O THR S 82 13. 046 34. 058 6. 032 1. 00 87. 23 S ATOM 3667 N ASP S 83 11. 030 33. 136 5. 702 1. 00 85. 67 S ATOM 3668 CA ASP S 83 10. 476 33. 543 6. 971 1. 00 85. 47 S ATOM 3669 CB ASP S 83 8. 984 33. 232 6. 980 1. 00 88. 87 S ATOM 3670 CG ASP S 83 8. 294 33. 718 8. 246 1. 00 92. 19 S ATOM 3671 OD1 ASP S 83 8. 288 34. 962 8. 469 1. 00 95. 72 S ATOM 3672 OD2 ASP S 83 7. 770 32. 861 9. 014 1. 00 93. 66 S ATOM 3673 C ASP S 83 11. 166 32. 807 8. 112 1. 00 84. 37 S ATOM 3674 O ASP S 83 11. 695 33. 432 9. 024 1. 00 85. 56 S ATOM 3675 N ILE S 84 11. 152 31. 476 8. 060 1. 00 82. 41 S ATOM 3676 CA ILE S 84 11. 778 30. 653 9. 103 1. 00 79. 60 S ATOM 3677 CB ILE S 84 11. 740 29. 146 8. 769 1. 00 76. 04 S ATOM 3678 CG2 ILE S 84 12. 477 28. 366 9. 854 1. 00 73. 63 S ATOM 3679 CG1 ILE S 84 10. 304 28. 672 8. 578 1. 00 71. 95 S ATOM 3680 CD1 ILE S 84 9. 539 28. 474 9. 830 1. 00 69. 58 S ATOM 3681 C ILE S 84 13. 254 31. 013 9. 291 1. 00 80. 36 S ATOM 3682 O ILE S 84 13. 760 31. 059 10. 410 1. 00 80. 24 S ATOM 3683 N LEU S 85 13. 950 31. 259 8. 191 1. 00 80. 75 S ATOM 3684 CA LEU S 85 15. 354 31. 591 8. 287 1. 00 82. 79 S ATOM 3685 CB LEU S 85 15. 935 31. 856 6. 902 1. 00 82. 84 S ATOM 3686 CG LEU S 85 17. 466 31. 966 6. 909 1. 00 85. 30 S ATOM 3687 CD1 LEU S 85 18. 086 30. 802 7. 703 1. 00 85. 45 S ATOM 3688 CD2 LEU S 85 17. 985 31. 968 5. 483 1. 00 86. 47 S ATOM 3689 C LEU S 85 15. 544 32. 797 9. 180 1. 00 84. 23 S ATOM 3690 O LEU S 85 16. 320 32. 756 10. 128 1. 00 84. 86 S ATOM 3691 N GLU S 86 14. 809 33. 865 8. 888 1. 00 86. 18 S ATOM 3692 CA GLU S 86 14. 884 35. 099 9. 669 1. 00 87. 01 S ATOM 3693 CB GLU S 86 14. 106 36. 227 8. 973 1. 00 88. 58 S ATOM 3694 CG GLU S 86 14. 388 36. 378 7. 463 1. 00 90. 98 S ATOM 3695 CD GLU S 86 15. 881 36. 521 7. 115 1. 00 91. 74 S ATOM 3696 OE1 GLU S 86 16. 552 37. 430 7. 666 1. 00 91. 76 S ATOM 3697 OE2 GLU S 86 16. 376 35. 726 6. 278 1. 00 91-08 S ATOM 3698 C GLU S 86 14. 353 34. 909 11. 098 1. 00 86. 36 S ATOM 3699 O GLU S 86 15. 012 35. 304 12. 054 1. 00 86. 28 S ATOM 3700 N THR S 87 13. 175 34. 305 11. 248 1. 00 85. 72 S ATOM 3701 CA THR S 87 12. 604 34. 080 12. 576 1. 00 86. 60 S ATOM 3702 CB THR S 87 11. 321 33. 224 12. 510 1. 00 85. 81 S ATOM 3703 OG1 THR S 87 10. 286 33. 965 11. 850 1. 00 85. 75 S ATOM 3704 CG2 THR S 87 10. 844 32. 837 13. 917 1. 00 83. 37 S ATOM 3705 C THR S 87 13. 614 33. 374 13. 467 1. 00 88. 19 S ATOM 3706 O THR S 87 13. 330 33. 057 14. 622 1. 00 87. 27 S ATOM 3707 N LEU S 88 14. 797 33. 131 12. 916 1. 00 90. 74 S ATOM 3708 CA LEU S 88 15. 865 32. 475 13. 639 1. 00 94. 13 S ATOM 3709 CB LEU S 88 15. 944 31. 007 13. 234 1. 00 93. 36 S ATOM 3710 CG LEU S 88 14. 974 30. 206 14. 106 1. 00 93. 45 S ATOM 3711 CD1 LEU S 88 14. 797 28. 805 13. 561 1. 00 92. 95 S ATOM 3712 CD2 LEU S 88 15. 498 30. 199 15. 556 1. 00 93. 27 S ATOM 3713 C LEU S 88 17. 194 33. 169 13. 433 1. 00 97. 19 S ATOM 3714 O LEU S 88 18. 148 32. 607 12. 908 1. 00 98. 31 S ATOM 3715 N LYS S 89 17. 233 34. 423 13. 851 1. 00101. 27 S ATOM 3716 CA LYS S 89 18. 435 35. 222 13. 758 1. 00105. 22 S ATOM 3717 CB LYS S 89 18. 226 36. 363 12. 768 1. 00104. 67 S ATOM 3718 CG LYS S 89 17. 758 35. 890 11. 403 1. 00105. 02 S ATOM 3719 CD LYS S 89 18. 676 34. 825 10. 828 1. 00104. 79 S ATOM 3720 CE LYS S 89 18. 305 34. 512 9. 388 1. 00105. 47 S ATOM 3721 NZ LYS S 89 19. 220 33. 506 8. 787 1. 00106. 47 S ATOM 3722 C LYS S 89 18. 635 35. 744 15. 170 1. 00108. 66 S ATOM 3723 O LYS S 89 19. 706 36. 240 15. 531 1. 00109. 74 S ATOM 3724 N ARG S 90 17. 576 35. 600 15. 964 1. 00111. 35 S ATOM 3725 CA ARG S 90 17. 557 36. 011 17. 360 1. 00113. 59 S ATOM 3726 CB ARG S 90 17. 000 37. 439 17. 484 1. 00117. 66 S ATOM 3727 CG ARG S 90 17. 488 38. 252 18. 703 1. 00122. 16 S ATOM 3728 CD ARG S 90 17. 048 37. 653 20. 040 1. 00125. 83 S ATOM 3729 NE ARG S 90 17. 732 36. 392 20. 336 1. 00129. 28 S ATOM 3730 CZ ARG S 90 19. 051 36. 260 20. 458 1. 00130. 17 S ATOM 3731 NH1 ARG S 90 19. 845 37. 313 20. 312 1. 00130. 61 S ATOM 3732 NH2 ARG S 90 19. 579 35. 071 20. 733 1. 00130. 99 S ATOM 3733 C ARG S 90 16. 628 35. 008 18. 049 1. 00112. 58 S ATOM 3734 O ARG S 90 15. 417 35. 004 17. 809 1. 00112. 51 S ATOM 3735 N ARG S 91 17. 203 34. 150 18. 890 1. 00111. 21 S ATOM 3736 CA ARG S 91 16. 432 33. 134 19. 605 1. 00109. 42 S ATOM 3737 CB ARG S 91 15. 561 32. 360 18. 605 1. 00108. 75 S ATOM 3738 CG ARG S 91 14. 491 31. 467 19. 208 1. 00106. 45 S ATOM 3739 CD ARG S 91 13. 348 31. 291 18. 216 1. 00104. 37 S ATOM 3740 NE ARG S 91 12. 339 30. 334 18. 660 1. 00101. 77 S ATOM 3741 CZ ARG S 91 11. 190 30. 121 18. 027 1. 00100. 23 S ATOM 3742 NH1 ARG S 91 10. 904 30. 800 16. 926 1. 00 98. 89 S ATOM 3743 NH2 ARG S 91 10. 329 29. 231 18. 495 1. 00 98. 61 S ATOM 3744 C ARG S 91 17. 355 32. 177 20. 370 1. 00108. 69 S ATOM 3745 0 ARG S 91 18. 570 32. 459 20. 455 1. 00107. 52 S ATOM 3746 OXT ARG S 91 16. 853 31. 159 20. 885 1. 00107. 47 S ATOM 3747 CB LYS Y 104 4. 630 34. 919 10. 968 1. 00112. 88 Y ATOM 3748 CG LYS Y 104 3. 363 35. 645 11. 429 1. 00111. 37 Y ATOM 3749 CD LYS Y 104 3. 633 36. 608 12. 588 1. 00109. 59 Y ATOM 3750 CE LYS Y 104 3. 921 35. 864 13. 891 1. 00108. 07 Y ATOM 3751 NZ LYS Y 104 2. 755 35. 054 14. 330 1. 00106. 88 Y ATOM 3752 C LYS Y 104 4. 898 36. 245 8. 860 1. 00113. 94 Y ATOM 3753 O LYS Y 104 5. 229 37. 292 8. 305 1. 00114. 29 Y ATOM 3754 N LYS Y 104 6. 117 36. 927 10. 944 1. 00113. 71 Y ATOM 3755 CA LYS Y 104 5. 604 35. 771 10. 133 1. 00113. 95 Y ATOM 3756 N GLY Y 105 3. 928 35. 457 8. 404 1. 00112. 96 Y ATOM 3757 CA GLY Y 105 3. 166 35. 807 7. 223 1. 00113. 28 Y ATOM 3758 C GLY Y 105 1. 710 35. 483 7. 492 1. 00113. 81 Y ATOM 3759 0 GLY Y 105 1. 414 34. 586 8. 271 1. 00113. 91 Y ATOM 3760 N SER Y 106 0. 794 36. 211 6. 860 1. 00114. 89 Y ATOM 3761 CA SER Y 106-0. 643 35. 980 7. 049 1. 00116. 44 Y ATOM 3762 CB SER Y 106-1. 196 36. 878 8. 170 1. 00115. 99 Y ATOM 3763 OG SER Y 106-0. 860 36. 397 9. 460 1. 00114. 22 Y ATOM 3764 C SER Y 106-1. 452 36. 234 5. 775 1. 00117. 82 Y ATOM 3765 0 SER Y 106-1. 754 37. 380 5. 450 1. 00118. 31 Y ATOM 3766 N THR Y 107-1. 823 35. 168 5. 067 1. 00119. 16 Y ATOM 3767 CA THR Y 107-2. 599 35. 297 3. 829 1. 00120. 21 Y ATOM 3768 CB THR Y 107-1. 701 35. 817 2. 664 1. 00121. 44 Y ATOM 3769 OG1 THR Y 107-1. 146 37. 087 3. 017 1. 00122. 60 Y ATOM 3770 CG2 THR Y 107-2. 504 35. 995 1. 380 1. 00122. 25 Y ATOM 3771 C THR Y 107-3. 224 33. 966 3. 398 1. 00120. 18 Y ATOM 3772 O THR Y 107-3. 209 32. 986 4. 138 1. 00120. 52 Y ATOM 3773 N GLY Y 108-3. 807 33. 966 2. 204 1. 00120. 86 Y ATOM 3774 CA GLY Y 108-4. 382 32. 766 1. 630 1. 00121. 11 Y ATOM 3775 C GLY Y 108-3. 302 32. 279 0. 673 1. 00121. 64 Y ATOM 3776 O GLY Y 108-2. 746 33. 074-0. 099 1. 00121. 96 Y ATOM 3777 N ALA Y 109-2. 980 30. 992 0. 721 1. 00119. 94 Y ATOM 3778 CA ALA Y 109-1. 946 30. 451-0. 139 1. 00118. 74 Y ATOM 3779 CB ALA Y 109-1. 917 28. 983-0. 013 1. 00118. 25 Y ATOM 3780 C ALA Y 109-2. 135 30. 843-1. 592 1. 00118. 60 Y ATOM 3781 O ALA Y 109-1. 190 31. 259-2. 252 1. 00119. 70 Y ATOM 3782 N SER Y 110-3. 354 30. 710-2. 097 1. 00118. 69 Y ATOM 3783 CA SER Y 110-3. 634 31. 075-3. 491 1. 00119. 04 Y ATOM 3784 CB SER Y 110-2. 976 30. 070-4. 446 1. 00120. 34 Y ATOM 3785 OG SER Y 110-3. 460 28. 754-4. 218 1. 00122. 67 Y ATOM 3786 C SER Y 110-5. 141 31. 117-3. 750 1. 00117. 36 Y ATOM 3787 O SER Y 110-5. 929 30. 889-2. 824 1. 00118. 85 Y ATOM 3788 N THR Y 111-5. 548 31. 395-4. 990 1. 00113. 38 Y ATOM 3789 CA THR Y 111-6. 973 31. 451-5. 301 1. 00110. 10 Y ATOM 3790 CB THR Y 111-7. 420 32. 891-5. 578 1. 00110. 07 Y ATOM 3791 OG1 THR Y 111-7. 101 33. 715-4. 450 1. 00110. 07 Y ATOM 3792 CG2 THR Y 111-8. 928 32. 941-5. 824 1. 00109. 05 Y ATOM 3793 C THR Y 111-7. 368 30. 594-6. 498 1. 00107. 92 Y ATOM 3794 O THR Y 111-8. 354 29. 859-6. 460 1. 00107. 05 Y ATOM 3795 N GLU Y 112-6. 604 30. 701-7. 575 1. 00105. 36 Y ATOM 3796 CA GLU Y 112-6. 904 29. 937-8. 765 1. 00102. 55 Y ATOM 3797 CB GLU Y 112-6. 296 30. 597-9. 997 1. 00103. 51 Y ATOM 3798 CG GLU Y 112-6. 593 29. 836-11. 270 1. 00106. 29 Y ATOM 3799 CD GLU Y 112-5. 851 30. 390-12. 464 1. 00108. 65 Y ATOM 3800 OE1 GLU Y 112-5. 957 31. 615-12. 716 1. 00109. 01 Y ATOM 3801 OE2 GLU Y 112-5. 165 29. 595-13. 150 1. 00109. 13 Y ATOM 3802 C GLU Y 112-6. 342 28. 540-8. 616 1. 00100. 16 Y ATOM 3803 O GLU Y 112-6. 974 27. 569-9. 033 1. 00100. 34 Y ATOM 3804 N VAL Y 113-5. 145 28. 441-8. 036 1. 00 96. 06 Y ATOM 3805 CA VAL Y 113-4. 512 27. 141-7. 840 1. 00 91. 48 Y ATOM 3806 CB VAL Y 113-3. 175 27. 256-7. 094 1. 00 91. 29 Y ATOM 3807 CG1 VAL Y 113-2. 700 25. 882-6. 690 1. 00 90. 39 Y ATOM 3808 CG2 VAL Y 113-2. 151 27. 917-7. 970 1. 00 89. 77 Y ATOM 3809 C VAL Y 113-5. 462 26. 282-7. 018 1. 00 88. 95 Y ATOM 3810 O VAL Y 113-5. 753 25. 136-7. 385 1. 00 89. 74 Y ATOM 3811 N LYS Y 114-5. 947 26. 849-5. 912 1. 00 83. 77 Y ATOM 3812 CA LYS Y 114-6. 880 26. 152-5. 049 1. 00 79. 02 Y ATOM 3813 CB LYS Y 114-7. 371 27. 088-3. 946 1. 00 77. 73 Y ATOM 3814 CG LYS Y 114-6. 258 27. 703-3. 143 1. 00 74. 99 Y ATOM 3815 CD LYS Y 114-6. 492 27. 539-1. 656 1. 00 73. 90 Y ATOM 3816 CE LYS Y 114-7. 439 28. 578-1. 094 1. 00 73. 56 Y ATOM 3817 NZ LYS Y 114-6. 731 29. 822-0. 659 1. 00 72. 17 Y ATOM 3818 C LYS Y 114-8. 032 25. 701-5. 926 1. 00 77. 91 Y ATOM 3819 O LYS Y 114-8. 630 24. 657-5. 704 1. 00 76. 39 Y ATOM 3820 N GLN Y 115-8. 328 26. 496-6. 944 1. 00 78. 26 Y ATOM 3821 CA GLN Y 115-9. 385 26. 160-7. 879 1. 00 78. 71 Y ATOM 3822 CB GLN Y 115-9. 700 27. 371-8. 756 1. 00 79. 76 Y ATOM 3823 CG GLN Y 115-10. 857 28. 191-8. 251 1. 00 82. 59 Y ATOM 3824 CD GLN Y 115-12. 176 27. 467-8. 437 1. 00 83. 60 Y ATOM 3825 OE1 GLN Y 115-12. 623 27. 257-9. 569 1. 00 84. 42 Y ATOM 3826 NE2 GLN Y 115-12. 802 27. 067-7. 328 1. 00 82. 75 Y ATOM 3827 C GLN Y 115-8. 925 24. 974-8. 736 1. 00 78. 05 Y ATOM 3828 O GLN Y 115-9. 576 23. 921-8. 765 1. 00 76. 34 Y ATOM 3829 N LYS Y 116-7. 800 25. 147-9. 427 1. 00 77. 70 Y ATOM 3830 CA LYS Y 116-7. 265 24. 090-10. 266 1. 00 77. 19 Y ATOM 3831 CB LYS Y 116-5. 951 24. 533-10. 905 1. 00 77. 21 Y ATOM 3832 CG LYS Y 116-5. 177 23. 392-11. 588 1. 00 78. 68 Y ATOM 3833 CD LYS Y 116-6. 060 22. 572-12. 525 1. 00 79. 22 Y ATOM 3834 CE LYS Y 116-5. 255 21. 496-13. 236 1. 00 79. 55 y ATOM 3835 NZ LYS Y 116-6. 123 20-627-14. 086 1. 00 79. 99 y ATOM 3836 C LYS Y 116-7. 047 22. 829-9. 423 1. 00 76. 89 y ATOM 3837 O LYS Y 116-7. 258 21. 696-9. 911 1. 00 77. 21 y ATOM 3838 N LEU Y 117-6. 637 23. 022-8. 163 1. 00 73. 53 Y ATOM 3839 CA LEU Y 117-6. 407 21. 886-7. 277 1. 00 70. 69 y ATOM 3840 CB LEU Y 117-5. 752 22. 304-5. 960 1 00 63. 24 y ATOM 3841 CG LEU Y 117-5. 731 21. 226-4. 870 1. 00 57. 48 Y ATOM 3842 CD1 LEU Y 117-5. 451 19. 884-5. 429 1. 00 54. 58 Y ATOM 3843 CD2 LEU Y 117-4. 719 21. 581-3. 837 1. 00 53. 18 Y ATOM 3844 C LEU Y 117-7. 691 21. 155-6. 971 1. 00 73. 31 Y ATOM 3845 O LEU Y 117-7. 755 19. 926-7. 075 1-00 75. 72 Y ATOM 3846 N GLN Y 118-8. 725 21. 904-6. 623 1. 00 75. 04 Y ATOM 3847 CA GLN Y 118-9. 978 21. 265-6. 289 1. 00 75. 70 Y ATOM 3848 CB GLN Y 118-11. 007 22. 288-5. 815 1. 00 73. 08 Y ATOM 3849 CG GLN Y 118-12. 294 21. 636-5. 377 1. 00 68. 87 Y ATOM 3850 CD GLN Y 118-13. 215 22. 591-4. 721 1. 00 67. 12 Y ATOM 3851 OE1 GLN Y 118-12. 821 23. 296-3. 798 1. 00 68. 79 Y ATOM 3852 NE2 GLN Y 118-14. 459 22. 626-5. 175 1. 00 64. 09 Y ATOM 3853 C GLN Y 118-10. 571 20. 449-7. 415 1. 00 77. 80 Y ATOM 3854 O GLN Y 118-10. 843 19. 264-7. 246 1. 00 78. 20 Y ATOM 3855 N GLU Y 119-10. 788 21. 077-8. 564 1. 00 81. 25 Y ATOM 3856 CA GLU Y 119-11. 390 20. 358-9. 681 1. 00 85. 82 Y ATOM 3857 CB GLU Y 119-11. 292 21. 183-10. 972 1. 00 89. 85 Y ATOM 3858 CG GLU Y 119-9. 860 21. 552-11. 388 1. 00 96. 18 Y ATOM 3859 CD GLU Y 119-9. 792 22. 150-12. 806 1. 00 99. 45 Y ATOM 3860 OE1 GLU Y 119-10. 145 21. 432-13. 781 1. 00 99. 92 Y ATOM 3861 OE2 GLU Y 119-9. 395 23. 339-12. 940 1. 00100. 02 Y ATOM 3862 C GLU Y 119-10. 723 19. 005-9. 853 1. 00 84. 93 Y ATOM 3863 O GLU Y 119-11. 384 18. 006-10. 100 1. 00 83. 34 Y ATOM 3864 N PHE Y 120-9. 406 18. 986-9. 693 1. 00 86. 36 Y ATOM 3865 CA PHE Y 120-8. 638 17. 764-9. 821 1. 00 88. 13 Y ATOM 3866 CB PHE Y 120-7. 142 18. 048-9. 624 1. 00 89. 13 Y ATOM 3867 CG PHE Y 120-6. 324 16. 814-9. 347 1. 00 92. 03 Y ATOM 3868 CD1 PHE Y 120-6. 393 15. 698-10. 189 1. 00 92. 38 Y ATOM 3869 CD2 PHE Y 120-5. 477 16. 770-8. 241 1. 00 92. 68 Y ATOM 3870 CE1 PHE Y 120-5. 654 14. 552-9. 910 1. 00 93. 42 Y ATOM 3871 CE2 PHE Y 120-4. 733 15. 630-7. 951 1. 00 92. 98 Y ATOM 3872 CZ PHE Y 120-4. 812 14. 522-8. 792 1. 00 93. 93 Y ATOM 3873 C PHE Y 120-9. 114 16. 767-8. 793 1. 00 87. 43 Y ATOM 3874 O PHE Y 120-9. 747 15. 767-9. 128 1. 00 88. 40 Y ATOM 3875 N LEU Y 121-8. 807 17. 058-7. 538 1. 00 86. 96 Y ATOM 3876 CA LEU Y 121-9. 180 16. 203-6. 422 1. 00 87. 66 Y ATOM 3877 CB LEU Y 121-9. 160 17. 028-5. 145 1. 00 88. 80 Y ATOM 3878 CG LEU Y 121-8. 108 16. 687-4. 087 1. 00 90. 12 Y ATOM 3879 CD1 LEU Y 121-6. 822 16. 172-4. 721 1. 00 90. 80 Y ATOM 3880 CD2 LEU Y 121-7. 844 17. 947-3. 249 1. 00 91. 01 Y ATOM 3881 C LEU Y 121-10. 535 15. 531-6. 572 1. 00 87. 97 Y ATOM 3882 O LEU Y 121-10. 678 14. 343-6. 311 1. 00 87. 11 Y ATOM 3883 N LEU Y 122-11. 529 16. 298-7. 003 1. 00 89. 50 Y ATOM 3884 CA LEU Y 122-12. 888 15. 793-7. 180 1. 00 90. 29 Y ATOM 3885 CB LEU Y 122-13. 862 16. 946-7. 401 1. 00 90. 05 Y ATOM 3886 CG LEU Y 122-14. 279 17. 725-6. 159 1. 00 89. 55 Y ATOM 3887 CD1 LEU Y 122-13. 054 18. 267-5. 453 1. 00 90. 06 Y ATOM 3888 CD2 LEU Y 122-15. 200 18. 851-6. 568 1. 00 89. 85 Y ATOM 3889 C LEU Y 122-13. 017 14. 820-8. 327 1. 00 91. 24 Y ATOM 3890 O LEU Y 122-13. 600 13. 756-8. 162 1. 00 92. 07 Y ATOM 3891 N SER Y 123-12. 492 15. 196-9. 493 1. 00 92. 17 Y ATOM 3892 CA SER Y 123-12. 541 14. 339-10. 675 1. 00 92. 47 Y ATOM 3893 CB SER Y 123-11. 964 15. 073-11. 889 1. 00 92. 21 Y ATOM 3894 OG SER Y 123-10. 710 15. 658-11. 594 1. 00 92. 93 Y ATOM 3895 C SER Y 123-11. 752 13. 074-10. 393 1. 00 92. 33 Y ATOM 3896 O SER Y 123-12. 146 11 987-10. 779 1. 00 91. 62 Y ATOM 3897 N LYS Y 124-10. 640 13. 231-9. 689 1. 00 93. 31 Y ATOM 3898 CA LYS Y 124-9. 791 12. 109-9. 320 1. 00 94. 73 Y ATOM 3899 CB LYS Y 124-8. 565 12. 612-8. 550 1. 00 95. 62 Y ATOM 3900 CG LYS Y 124-7. 452 11. 571-8. 400 1. 00 98. 06 Y ATOM 3901 CD LYS Y 124-6. 470 11. 923-7. 284 1. 00 98. 26 Y ATOM 3902 CE LYS Y 124-7 093 11. 709-5. 912 1. 00 98. 00 Y ATOM 3903 NZ LYS Y 124-7. 543 10. 297-5. 719 1. 00 97. 37 y ATOM 3904 C LYS Y 124-10. 598 11 171-8. 429 1. 00 95. 11 Y ATOM 3905 O LYS Y 124-10. 050 10. 354-7. 691 1. 00 95. 33 Y ATOM 3906 N SER Y 125-11. 914 11. 301-8. 492 1. 00 95. 89 y ATOM 3907 CA SER Y 125-12. 802 10. 470-7. 685 1. 00 97. 80 Y ATOM 3908 CB SER Y 125-13. 387 11. 275-6. 504 1. 00 97. 26 Y ATOM 3909 OG SER Y 125-12. 359 11. 862-5. 722 1. 00 97. 24 Y ATOM 3910 C SER Y 125-13. 935 9. 958-8. 575 1. 00 98. 71 Y ATOM 3911 O SER Y 125-15. 113 10. 052-8. 142 1. 00 99. 23 Y ATOM 3912 OXT SER Y 125-13. 626 9. 467-9. 690 1. 00 98. 67 Y ATOM 3913 05'ADE E 3 18. 890-1. 826 6. 013 1. 00139. 95 E ATOM 3914 N9 ADE E 3 22. 355-0. 765 8. 341 1. 00137. 94 E ATOM 3915 C4 ADE E 3 23. 591-0. 311 8. 728 1. 00137. 03 E ATOM 3916 N3 ADE E 3 24. 193-0. 507 9. 912 1. 00136. 06 E ATOM 3917 C2 ADE E 3 25. 371 0. 106 9-943 1. 00135. 90 E ATOM 3918 N1 ADE E 3 25. 967 0. 845 8. 999 1. 00136. 59 E ATOM 3919 C6 ADE E 3 25. 332 1. 025 7. 820 1. 00136. 70 E ATOM 3920 N6 ADE E 3 25. 919 1. 777 6. 883 1. 00135. 89 E ATOM 3921 C5 ADE E 3 24. 079 0. 412 7. 656 1. 00136. 98 E ATOM 3922 N7 ADE E 3 23. 186 0. 382 6. 593 1. 00136. 85 E ATOM 3923 C8 ADE E 3 22. 187-0. 334 7. 047 1. 00137. 28 E ATOM 3924 C2'ADE E 3 20. 523-0. 542 9. 949 1. 00140. 81 E ATOM 3925 C5'ADE E 3 18. 787-1. 048 7. 210 1. 00141. 50 E ATOM 3926 C4'ADE E 3 19. 179-1. 832 8. 443 1. 00141. 34 E ATOM 3927 04'ADE E 3 20. 559-2. 238 8. 297 1. 00140. 56 E ATOM 3928 C1'ADE E 3 21. 406-1. 506 9. 170 1. 00139. 50 E ATOM 3929 C3'ADE E 3 19. 104-1. 036 9. 745 1. 00142. 16 E ATOM 3930 03'ADE E 3 18. 656-1. 848 10. 839 1. 00144. 39 E ATOM 3931 P GUA E 4 18 142-1. 144 12. 195 1. 00145. 96 E ATOM 3932 01P GUA E 4 17. 351 0. 050 11. 785 1. 00146. 03 E ATOM 3933 02P GUA E 4 17. 517-2. 171 13. 068 1. 00146. 09 E ATOM 3934 05'GUA E 4 19. 490-0. 637 12. 885 1. 00145. 72 E ATOM 3935 N9 GUA E 4 23. 008 0. 838 12. 837 1. 00149. 55 E ATOM 3936 C4 GUA E 4 24. 045 1. 693 12. 561 1. 00150. 78 E ATOM 3937 N3 GUA E 4 25. 191 1. 798 13. 260 1. 00151. 12 E ATOM 3938 C2 GUA E 4 26. 000 2. 703 12. 741 1. 00151. 40 E ATOM 3939 N2 GUA E 4 27. 182 2. 953 13. 319 1. 00151. 00 E ATOM 3940 N1 GUA E 4 25. 709 3. 435 11. 617 1. 00151. 76 E ATOM 3941 C6 GUA E 4 24. 535 3. 336 10. 879 1. 00151. 70 E ATOM 3942 06 GUA E 4 24. 376 4. 035 9. 871 1. 00151. 80 E ATOM 3943 C5 GUA E 4 23. 656 2. 385 11. 433 1. 00151. 51 E ATOM 3944 N7 GUA E 4 22. 393 1. 991 11. 026 1. 00151. 17 E ATOM 3945 C8 GUA E 4 22 046 1. 082 11. 891 1. 00150. 73 E ATOM 3946 C2'GUA E 4 22. 558 0. 394 15. 274 1. 00144. 12 E ATOM 3947 C5'GUA E 4 19. 673-0. 653 14. 309 1. 00144. 56 E ATOM 3948 C4'GUA E 4 21. 004-1. 291 14. 646 1. 00143. 23 E ATOM 3949 04'GUA E 4 21. 915-1. 084 13. 543 1. 00145. 95 E ATOM 3950 C1'GUA E 4 22. 936-0. 158 13. 903 1. 00147. 15 E ATOM 3951 C3'GUA E 4 21. 714-0. 720 15. 872 1. 00140. 99 E ATOM 3952 03'GUA E 4 22. 535-1. 730 16. 481 1. 00133. 94 E ATOM 3953 P CYT E 5 23. 334-1. 404 17. 837 1. 00129. 91 E ATOM 3954 O1P CYT E 5 22. 342-0. 966 18. 852 1. 00130. 51 E ATOM 3955 02P CYT E 5 24. 240-2. 531 18. 146 1. 00130. 29 E ATOM 3956 05'CYT E 5 24. 260-0. 171 17. 449 1. 00126. 75 E ATOM 3957 N1 CYT E 5 25. 014 3. 840 16. 422 1. 00105. 03 E ATOM 3958 C6 CYT E 5 23. 736 3. 436 16. 153 1. 00103. 12 E ATOM 3959 C2 CYT E 5 25. 546 4. 970 15. 796 1. 00103. 78 E ATOM 3960 02 CYT E 5 26. 692 5. 347 16. 101 1. 00101. 89 E ATOM 3961 N3 CYT E 5 24. 796 5. 626 14. 880 1. 00102. 93 E ATOM 3962 C4 CYT E 5 23. 563 5. 200 14. 596 1. 00102. 35 E ATOM 3963 N4 CYT E 5 22. 882 5. 849 13. 655 1. 00103. 03 E ATOM 3964 C5 CYT E 5 22. 982 4. 081 15. 256 1. 00101. 99 E ATOM 3965 C2'CYT E 5 25. 167 2. 575 18. 600 1. 00110. 16 E ATOM 3966 C5'CYT E 5 25. 635-0. 366 17. 126 1. 00119. 24 E ATOM 3967 C4'CYT E 5 26. 446 0. 815 17. 600 1. 00114. 40 E ATOM 3968 04'CYT E 5 26. 320 1. 919 16. 670 1. 00112. 50 E ATOM 3969 C1'CYT E 5 25. 866 3. 081 17. 351 1. 00108. 62 E ATOM 3970 C3'CYT E 5 25. 997 1. 353 18. 960 1. 00112. 36 E ATOM 3971 03'CYT E 5 27. 128 1. 720 19. 752 1. 00111. 02 E ATOM 3972 P THY E 6 26. 989 1. 790 21. 352 1. 00110. 46 E ATOM 3973 O1P THY E 6 26 356 0. 535 21. 849 1. 00111. 88 E ATOM 3974 02P THY E 6 28. 315 2. 220 21. 891 1. 00109. 77 E ATOM 3975 05'THY E 6 25. 926 2. 952 21. 588 1. 00109. 71 E ATOM 3976 Nl THY E 6 25. 719 6. 802 18. 925 1. 00 85. 89 E ATOM 3977 C6 THY E 6 24. 566 6. 081 19. 114 1. 00 82. 44 E ATOM 3978 C2 THY E 6 25. 779 7. 826 18. 021 1. 00 84. 05 E ATOM 3979 02 THY E 6 26. 779 8. 503 17. 850 1. 00 83. 60 E ATOM 3980 N3 THY E 6 24. 625 8. 031 17. 318 1. 00 81. 65 E ATOM 3981 C4 THY E 6 23. 447 7. 321 17. 425 1. 00 81. 12 E ATOM 3982 04 THY E 6 22. 499 7. 598 16. 699 1. 00 81. 72 E ATOM 3983 C5 THY E 6 23. 447 6. 277 18. 412 1. 00 81. 79 E ATOM 3984 C5A THY E 6 22. 209 5. 456 18. 602 1. 00 82. 68 E ATOM 3985 C2'THY E 6 27. 094 7. 162 21. 000 1. 00 95. 01 E ATOM 3986 C5'THY E 6 26. 329 4. 189 22. 160 1. 00105. 04 E ATOM 3987 C4'THY E 6 27. 402 4. 820 21. 304 1. 00100. 68 E ATOM 3988 04'THY E 6 26. 891 5. 074 19. 972 1. 00 98. 62 E ATOM 3989 C1'THY E 6 26. 940 6. 463 19. 673 1. 00 92. 35 E ATOM 3990 C3'THY E 6 27. 893 6. 163 21. 817 1. 00 97. 89 E ATOM 3991 03'THY E 6 29. 287 6. 272 21. 558 1. 00 98. 48 E ATOM 3992 P ADE E 7 30. 189 7. 186 22. 511 1. 00100. 37 E ATOM 3993 O1P ADE E 7 29. 453 7. 288 23. 805 1. 00 98. 81 E ATOM 3994 02P ADE E 7 31. 594 6. 687 22. 486 1. 00100. 62 E ATOM 3995 05'ADE E 7 30. 178 8. 604 21. 788 1. 00 98. 34 E ATOM 3996 N9 ADE E 7 27. 213 10. 687 20. 775 1. 00 82. 03 E ATOM 3997 C4 ADE E 7 26. 087 10. 705 19. 972 1. 00 80. 25 E ATOM 3998 N3 ADE E 7 25. 950 11. 270 18. 756 1. 00 78. 40 E ATOM 3999 C2 ADE E 7 24. 729 11. 047 18. 269 1. 00 76. 57 E ATOM 4000 N1 ADE E 7 23. 704 10. 371 18. 816 1. 00 76. 36 E ATOM 4001 C6 ADE E 7 23. 872 9. 815 20. 040 1. 00 76. 67 E ATOM 4002 N6 ADE E 7 22. 859 9. 133 20. 584 1. 00 72. 05 E ATOM 4003 C5 ADE E 7 25. 119 9. 986 20. 666 1. 00 78. 84 E ATOM 4004 N7 ADE E 7 25. 610 9. 561 21. 892 1. 00 81. 07 E ATOM 4005 C8 ADE E 7 26. 848 10. 009 21. 913 1. 00 81. 57 E ATOM 4006 C2'ADE E 7 29. 449 11. 455 21. 660 1. 00 85. 13 E ATOM 4007 C5'ADE E 7 30. 859 8. 794 20. 543 1. 00 93. 98 E ATOM 4008 C4'ADE E 7 30. 601 10. 184 20. 017 1. 00 89. 91 E ATOM 4009 04'ADE E 7 29. 207 10. 292 19. 639 1. 00 88. 70 E ATOM 4010 C1'ADE E 7 28. 536 11. 237 20. 464 1. 00 84. 69 E ATOM 4011 C3'ADE E 7 30. 832 11. 275 21. 058 1. 00 87. 69 E ATOM 4012 03'ADE E 7 31. 319 12. 452 20. 394 1. 00 88. 76 E ATOM 4013 P THY E 8 31. 896 13. 691 21. 251 1. 00 89. 84 E ATOM 4014 O1P THY E 8 32. 084 13. 225 22. 643 1. 00 90. 92 E ATOM 4015 02P THY E 8 33. 020 14. 365 20. 550 1. 00 87. 46 E ATOM 4016 05'THY E 8 30. 670 14. 693 21. 242 1. 00 87. 99 E ATOM 4017 N1 THY E 8 25. 314 14. 278 20. 506 1. 00 75. 21 E ATOM 4018 C6 THY E 8 25. 546 13. 623 21. 694 1. 00 74. 22 E ATOM 4019 C2 THY E 8 24. 128 14. 131 19. 825 1. 00 74. 80 E ATOM 4020 02 THY E 8 23. 874 14. 731 18. 789 1. 00 75. 48 E ATOM 4021 N3 THY E 8 23. 238 13. 264 20. 407 1. 00 73. 76 E ATOM 4022 C4 THY E 8 23. 399 12. 570 21. 586 1. 00 73. 47 E ATOM 4023 04 THY E 8 22. 507 11. 819 21. 966 1. 00 72. 17 E ATOM 4024 C5 THY E 8 24. 660 12. 805 22. 277 1. 00 73. 78 E ATOM 4025 C5A THY E 8 24. 910 12. 149 23. 602 1. 00 71. 07 E ATOM 4026 C2'THY E 8 26. 842 16. 224 20. 889 1. 00 80. 12 E ATOM 4027 C5'THY E 8 29. 371 14. 197 21. 011 1. 00 83. 54 E ATOM 4028 C4'THY E 8 28. 686 15. 020 19. 959 1. 00 82. 19 E ATOM 4029 04'THY E 8 27. 462 14. 341 19. 620 1. 00 80. 50 E ATOM 4030 C1'THY E 8 26. 343 15. 154 19. 933 1. 00 78. 60 E ATOM 4031 C3'THY E 8 28. 287 16. 401 20. 469 1. 00 82. 41 E ATOM 4032 03'THY E 8 28. 415 17. 372 19. 440 1. 00 85. 06 E ATOM 4033 P THY E 9 28. 160 18. 920 19. 775 1. 00 89 06 E ATOM 4034 O1P THY E 9 27. 859 19. 024 21. 231 1. 00 87. 08 E ATOM 4035 02P THY E 9 29. 284 19. 713 19. 191 1. 00 88. 32 E ATOM 4036 05'THY E 9 26. 827 19. 236 18. 954 1. 00 88. 09 E ATOM 4037 N1 THY E 9 23. 125 17. 598 19. 829 1. 00 79. 41 E ATOM 4038 C6 THY E 9 24. 012 17. 775 20. 869 1. 00 80. 77 E ATOM 4039 C2 THY E 9 22-015 16. 771 19. 961 1. 00 79. 03 E ATOM 4040 02 THY E 9 21. 181 16. 592 19. 083 1. 00 76. 17 E ATOM 4041 N3 THY E 9 21. 915 16. 150 21. 180 1. 00 81. 57 E ATOM 4042 C4 THY E 9 22. 775 16. 269 22. 262 1. 00 51 E ATOM 4043 04 THY E 9 22. 559 15. 622 23. 296 1. 00 80. 54 E ATOM 4044 C5 THY E 9 23. 894 17. 173 22. 059 1. 00 82. 08 E ATOM 4045 C5A THY E 9 24. 857 17. 401 23. 177 1. 00 82. 08 E ATOM 4046 C2'THY E 9 23. 668 19. 773 18. 705 1. 00 80. 64 E ATOM 4047 C5'THY E 9 26. 683 18. 798 17. 598 1. 00 84. 64 E ATOM 4048 C4'THY E 9 25. 226 18. 760 17. 201 1. 00 82. 55 E ATOM 4049 04'THY E 9 24. 520 17. 736 17. 942 1. 00 83. 07 E ATOM 4050 C1'THY E 9 23. 362 18. 299 18. 553 1. 00 80. 96 E ATOM 4051 C3'THY E 9 24. 452 20. 055 17. 439 1. 00 81. 74 E ATOM 4052 03'THY E 9 23. 547 20. 268 16. 361 1. 00 82. 89 E ATOM 4053 P THY E 10 23. 002 21. 750 16. 062 1. 00 83. 98 E ATOM 4054 O1P THY E 10 23. 711 22. 709 16. 963 1. 00 83. 14 E ATOM 4055 02P THY E 10 23. 045 21. 967 14. 582 1. 00 82. 26 E ATOM 4056 05'THY E 10 21. 481 21. 675 16. 532 1. 00 82. 11 E ATOM 4057 N1 THY E 10 18. 844 19. 244 20. 354 1. 00 73. 82 E ATOM 4058 C6 THY E 10 19. 962 19. 859 20. 890 1. 00 71. 79 E ATOM 4059 C2 THY E 10 18. 176 18. 236 21. 041 1. 00 73. 64 E ATOM 4060 02 THY E 10 17. 151 17. 696 20. 632 1. 00 73. 22 E ATOM 4061 N3 THY E 10 18. 753 17. 882 22. 234 1. 00 72. 04 E ATOM 4062 C4 THY E 10 19. 884 18. 427 22. 808 1. 00 71. 57 E ATOM 4063 04 THY E 10 20. 293 17. 988 23. 874 1. 00 70. 83 E ATOM 4064 C5 THY E 10 20. 508 19. 503 22. 063 1. 00 72. 22 E ATOM 4065 C5A THY E 10 21. 729 20. 159 22. 631 1. 00 71. 65 E ATOM 4066 C2'THY E 10 18. 170 21. 113 18. 804 1. 00 76. 51 E ATOM 4067 C5'THY E 10 21. 052 20. 713 17. 484 1. 00 77. 05 E ATOM 4068 C4'THY E 10 19. 649 20. 259 17. 160 1. 00 75. 55 E ATOM 4069 04'THY E 10 19. 308 19. 188 18. 065 1. 00 75. 97 E ATOM 4070 C1'THY E 10 18. 342 19. 618 19. 013 1. 00 74. 29 E ATOM 4071 C3'THY E 10 18. 571 21. 323 17. 357 1. 00 74. 13 E ATOM 4072 03'THY E 10 17. 466 21. 095 16. 459 1. 00 71. 23 E ATOM 4073 P ADE E 11 16. 081 21. 900 16. 644 1. 00 67. 17 E ATOM 4074 O1P ADE E 11 16. 401 23. 194 17. 309 1. 00 66. 86 E ATOM 4075 02P ADE E 11 15. 314 21. 893 15. 370 1. 00 64. 75 E ATOM 4076 05'ADE E 11 15. 269 20. 986 17. 652 1. 00 66. 04 E ATOM 4077 N9 ADE E 11 15. 144 20. 296 21. 396 1. 00 58. 10 E ATOM 4078 C4 ADE E 11 15. 423 19. 869 22. 678 1. 00 54. 72 E ATOM 4079 N3 ADE E 11 14. 679 19. 042 23. 445 1. 00 55. 52 E ATOM 4080 C2 ADE E 11 15. 294 18. 808 24. 618 1. 00 55. 34 E ATOM 4081 N1 ADE E 11 16. 489 19. 265 25. 063 1. 00 52. 32 E ATOM 4082 C6 ADE E 11 17. 206 20. 093 24. 262 1. 00 51. 49 E ATOM 4083 N6 ADE E 11 18. 396 20. 532 24. 693 1. 00 50. 21 E ATOM 4084 C5 ADE E 11 16. 652 20. 436 23. 004 1. 00 52. 21 E ATOM 4085 N7 ADE E 11 17. 103 21. 260 21. 976 1. 00 52. 09 E ATOM 4086 C8 ADE E 11 16. 163 21. 159 21. 058 1. 00 55. 18 E ATOM 4087 C2'ADE E 11 13. 183 20. 885 19. 886 1. 00 65. 88 E ATOM 4088 CS'ADE E 11 14. 728 19. 749 17. 230 1. 00 65. 84 E ATOM 4089 C4'ADE E 11 13. 817 19. 206 18. 303 1. 00 67. 57 E ATOM 4090 04'ADE E 11 14. 577 19. 030 19. 520 1. 00 66. 87 E ATOM 4091 C1'ADE E 11 14. 025 19. 827 20. 570 1. 00 63. 38 E ATOM 4092 C3'ADE E 11 12. 655 20. 123 18. 680 1. 00 68. 91 E ATOM 4093 03'ADE E 11 11. 545 19. 297 19. 035 1. 00 74. 07 E ATOM 4094 P THY E 12 10. 093 19. 944 19. 210 1. 00 76. 53 E ATOM 4095 O1P THY E 12 10. 300 21. 419 19. 095 1. 00 73. 68 E ATOM 4096 02P THY E 12 9. 144 19. 259 18. 292 1. 00 74. 39 E ATOM 4097 05'THY E 12 9. 725 19. 538 20. 714 1. 00 77. 78 E ATOM 4098 N1 THY E 12 12. 478 21. 541 24. 600 1. 00 60. 45 E ATOM 4099 C6 THY E 12 12. 787 22. 494 23. 651 1. 00 56. 83 E ATOM 4100 C2 THY E 12 13. 380 21. 181 25. 556 1. 00 58. 25 E ATOM 4101 02 THY E 12 13. 147 20. 337 26. 396 1. 00 60. 47 E ATOM 4102 N3 THY E 12 14. 578 21. 838 25. 492 1. 00 54. 50 E ATOM 4103 C4 THY E 12 14. 969 22. 787 24. 568 1. 00 52. 91 E ATOM 4104 04 THY E 12 16. 109 23. 280 24. 625 1. 00 51. 01 E ATOM 4105 C5 THY E 12 13. 977 23. 118 23. 581 1. 00 54. 39 E ATOM 4106 C5A THY E 12 14. 323 24. 125 22. 522 1. 00 53. 29 E ATOM 4107 C2'THY E 12 10. 006 21. 565 23. 932 1. 00 73. 62 E ATOM 4108 C5'THY E 12 10. 764 19. 433 21. 703 1. 00 77. 65 E ATOM 4109 C4'THY E 12 10. 199 19. 348 23. 106 1. 00 76. 15 E ATOM 4110 04'THY E 12 11. 317 19. 599 23. 997 1. 00 73. 47 E ATOM 4111 C1'THY E 12 11. 164 20. 858 24. 635 1. 00 67. 67 E ATOM 4112 C3'THY E 12 9. 149 20. 402 23. 462 1. 00 77. 29 E ATOM 4113 03'THY E 12 8. 334 19. 942 24. 554 1. 00 84. 06 E ATOM 4114 P ADE E 13 7. 347 18. 676 24. 358 1. 00 91. 56 E ATOM 4115 O1P ADE E 13 5. 932 19. 150 24. 308 1. 00 88. 84 E ATOM 4116 02P ADE E 13 7. 876 17. 818 23. 247 1. 00 92. 48 E ATOM 4117 05'ADE E 13 7. 501 17. 874 25. 730 1. 00 90. 20 E ATOM 4118 N9 ADE E 13 9. 008 20. 899 28. 563 1. 00 76. 45 E ATOM 4119 C4 ADE E 13 10. 216 21. 474 28. 852 1. 00 73. 67 E ATOM 4120 N3 ADE E 13 11. 092 21. 084 29. 787 1. 00 74. 70 E ATOM 4121 C2 ADE E 13 12. 178 21. 855 29. 758 1. 00 75. 45 E ATOM 4122 N1 ADE E 13 12. 471 22. 890 28. 949 1. 00 73. 88 E ATOM 4123 C6 ADE E 13 11. 567 23. 249 28. 015 1. 00 73. 52 E ATOM 4124 N6 ADE E 13 11. 868 24. 262 27. 196 1. 00 72. 83 E ATOM 4125 C5 ADE E 13 10. 362 22. 517 27. 959 1. 00 73. 24 E ATOM 4126 N7 ADE E 13 9. 240 22. 623 27. 151 1. 00 73. 48 E ATOM 4127 C8 ADE E 13 8. 466 21. 650 27. 560 1. 00 74. 32 E ATOM 4128 C2'ADE E 13 6. 978 19. 795 29. 539 1. 00 84. 12 E ATOM 4129 C5'ADE E 13 6. 601 18. 096 26. 814 1. 00 88. 91 E ATOM 4130 C4'ADE E 13 7. 304 17. 887 28. 138 1. 00 87. 88 E ATOM 4131 04'ADE E 13 8. 537 18. 652 28. 177 1. 00 86. 01 E ATOM 4132 C1'ADE E 13 8. 447 19. 691 29. 160 1. 00 82. 07 E ATOM 4133 C3'ADE E 13 6. 476 18. 375 29. 329 1. 00 87. 39 E ATOM 4134 03'ADE E 13 6. 717 17. 554 30. 491 1. 00 90. 72 E ATOM 4135 P ADE E 14 5. 480 17. 068 31. 401 1. 00 92. 51 E ATOM 4136 O1P ADE E 14 4. 283 17. 232 30. 534 1. 00 90. 75 E ATOM 4137 02P ADE E 14 5. 753 15. 744 32. 019 1. 00 89. 33 E ATOM 4138 05'ADE E 14 5. 460 18. 156 32. 558 1. 00 93. 52 E ATOM 4139 N9 ADE E 14 8. 297 22. 753 31. 986 1. 00 90. 05 E ATOM 4140 C4 ADE E 14 9. 344 23. 568 31. 615 1. 00 85. 92 E ATOM 4141 N3 ADE E 14 10. 566 23. 637 32. 174 1. 00 85. 28 E ATOM 4142 C2 ADE E 14 11. 319 24. 550 31. 553 1. 00 84. 00 E ATOM 4143 N1 ADE E 14 11. 012 25. 338 30. 515 1. 00 82. 37 E ATOM 4144 C6 ADE E 14 9. 776 25. 245 29. 976 1. 00 83. 84 E ATOM 4145 N6 ADE E 14 9. 469 26. 041 28. 940 1. 00 84. 74 E ATOM 4146 C5 ADE E 14 8. 881 24. 313 30. 546 1. 00 83. 87 E ATOM 4147 N7 ADE E 14 7. 568 23. 971 30. 242 1. 00 83. 68 E ATOM 4148 C8 ADE E 14 7. 272 23. 041 31. 116 1. 00 86. 47 E ATOM 4149 C2'ADE E 14 7. 102 21. 972 34. 061 1. 00 97. 75 E ATOM 4150 C5'ADE E 14 5. 976 19. 453 32. 316 1. 00 95. 65 E ATOM 4151 C4'ADE E 14 7. 127 19. 728 33. 246 1. 00 96. 97 E ATOM 4152 04'ADE E 14 8. 124 20. 488 32. 528 1. 00 96. 99 E ATOM 4153 C1'ADE E 14 8. 271 21. 785 33. 093 1. 00 94. 61 E ATOM 4154 C3'ADE E 14 6. 743 20. 554 34. 472 1. 00 99. 70 E ATOM 4155 03'ADE E 14 7. 483 20. 124 35. 623 1. 00105. 82 E ATOM 4156 P GUA E 15 7. 124 20. 716 37. 078 1. 00109. 62 E ATOM 4157 O1P GUA E 15 6. 010 21. 690 36. 902 1. 00108. 33 E ATOM 4158 02P GUA E 15 6. 968 19. 583 38. 029 1. 00109. 54 E ATOM 4159 05'GUA E 15 8. 446 21. 524 37. 446 1. 00111. 81 E ATOM 4160 N9 GUA E 15 9. 102 25. 716 34. 766 1. 00117. 78 E ATOM 4161 C4 GUA E 15 9. 497 26. 654 33. 843 1. 00116. 92 E ATOM 4162 N3 GUA E 15 10. 595 27. 432 33. 926 1. 00116. 12 E ATOM 4163 C2 GUA E 15 10. 706 28. 247 32. 887 1. 00116. 34 E ATOM 4164 N2 GUA E 15 11. 743 29. 099 32. 811 1. 00115. 67 E ATOM 4165 N1 GUA E 15 9. 810 28. 288 31. 847 1. 00115. 84 E ATOM 4166 C6 GUA E 15 8. 671 27. 491 31. 739 1. 00116. 12 E ATOM 4167 06 GUA E 15 7. 928 27. 602 30. 747 1. 00115. 92 E ATOM 4168 C5 GUA E 15 8. 539 26. 617 32. 851 1. 00116. 68 E ATOM 4169 N7 GUA E 15 7. 566 25. 670 33. 141 1. 00116. 77 E ATOM 4170 C8 GUA E 15 7. 942 25. 160 34. 283 1. 00117. 31 E ATOM 4171 C2'GUA E 15 8. 830 25. 271 37. 208 1. 00120. 19 E ATOM 4172 C5'GUA E 15 9. 162 22. 185 36. 414 1. 00116. 20 E ATOM 4173 C4'GUA E 15 10. 074 23. 249 36. 975 1. 00119. 05 E ATOM 4174 04'GUA E 15 10. 396 24. 116 35. 859 1. 00120. 15 E ATOM 4175 C1'GUA E 15 9. 777 25 388 36. 018 1. 00119. 39 E ATOM 4176 C3'GUA E 15 9-451 24. 160 38. 033 1. 00120. 61 E ATOM 4177 03'GUA E 15 10. 489 24. 660 38. 894 1. 00123. 46 E ATOM 4178 P CYT E 16 10. 195 25. 903 39. 876 1. 00126. 26 E ATOM 4179 O1P CYT E 16 8. 760 25. 834 40. 254 1. 00124. 88 E ATOM 4180 02P CYT E 16 11. 242 25. 906 40. 936 1. 00125. 00 E ATOM 4181 05'CYT E 16 10. 435 27. 192 38. 971 1. 00127. 20 E ATOM 4182 N1 CYT E 16 8. 857 29-802 36. 604 1. 00132. 52 E ATOM 4183 C6 CYT E 16 7. 801 29. 023 36. 982 1. 00132. 13 E ATOM 4184 C2 CYT E 16 8. 986 30. 221 35. 281 1. 00133. 06 E ATOM 4185 02 CYT E 16 9. 972 30. 897 34. 957 1. 00133. 73 E ATOM 4186 N3 CYT E 16 8. 038 29. 875 34. 386 1. 00132. 98 E ATOM 4187 C4 CYT E 16 7. 000 29. 131 34. 768 1. 00133. 10 E ATOM 4188 N4 CYT E 16 6. 073 28. 827 33. 850 1. 00134. 06 E ATOM 4189 C5 CYT E 16 6. 858 28. 668 36. 105 1. 00132. 79 E ATOM 4190 C2'CYT E 16 9. 517 29-987 39. 045 1. 00132. 06 E ATOM 4191 C5'CYT E 16 11. 755 27. 704 38. 770 1. 00130. 03 E ATOM 4192 C4'CYT E 16 11. 712 29. 204 38. 595 1. 00131. 35 E ATOM 4193 04'CYT E 16 11. 069 29. 517 37. 334 1. 00132. 38 E ATOM 4194 C1'CYT E 16 9. 867 30. 235 37. 583 1. 00132. 40 E ATOM 4195 C3'CYT E 16 10. 899 29. 934 39. 667 1. 00131. 81 E ATOM 4196 03'CYT E 16 11. 308 31. 314 39. 779 1. 00130. 50 E ATOM 4197 05'GUA F 3 4. 957 35. 331 24. 040 1. 00135. 71 F ATOM 4198 N9 GUA F 3 6. 820 33. 083 28. 427 1. 00132. 87 F ATOM 4199 C4 GUA F 3 7. 167 32. 594 29. 667 1. 00132. 00 F ATOM 4200 N3 GUA F 3 8. 105 33. 104 30. 493 1. 00130. 68 F ATOM 4201 C2 GUA F 3 8. 204 32. 410 31. 617 1. 00130. 26 F ATOM 4202 N2 GUA F 3 9. 106 32. 755 32. 544 1. 00130. 13 F ATOM 4203 N1 GUA F 3 7. 432 31. 317 31. 914 1. 00130. 48 F ATOM 4204 C6 GUA F 3 6. 460 30. 775 31. 080 1. 00131. 38 F ATOM 4205 06 GUA F 3 5. 819 29. 781 31. 443 1. 00132. 53 F ATOM 4206 C5 GUA F 3 6. 354 31. 497 29. 864 1. 00131. 91 F ATOM 4207 N7 GUA F 3 5. 528 31-291 28. 768 1. 00131. 31 F ATOM 4208 C8 GUA F 3 5. 843 32. 249 27. 941 1. 00132. 12 F ATOM 4209 C2'GUA F 3 7. 996 33. 975 26. 415 1. 00135. 11 F ATOM 4210 C5'GUA F 3 5. 065 34. 948 25. 412 1. 00135. 94 F ATOM 4211 C4'GUA F 3 6. 246 35. 571 26. 124 1. 00135. 60 F ATOM 4212 04'GUA F 3 6. 254 35. 134 27. 503 1. 00136. 01 F ATOM 4213 C1'GUA F 3 7. 355 34-268 27. 762 1. 00134. 20 F ATOM 4214 C3'GUA F 3 7. 610 35. 178 25. 570 1. 00136. 09 F ATOM 4215 03'GUA F 3 8. 533 36. 261 25. 742 1. 00137. 53 F ATOM 4216 P CYT F 4 10. 035 36. 125 25. 180 1. 00140. 17 F ATOM 4217 O1P CYT F 4 10. 010 35. 119 24. 076 1. 00140. 09 F ATOM 4218 02P CYT F 4 10. 589 37. 482 24. 926 1. 00139. 91 F ATOM 4219 05'CYT F 4 10. 845 35. 509 26. 403 1. 00139. 68 F ATOM 4220 N1 CYT F 4 11. 271 31. 902 28. 737 1. 00137. 68 F ATOM 4221 C6 CYT F 4 10. 399 31. 938 27. 684 1. 00136. 38 F ATOM 4222 C2 CYT F 4 11. 116 30. 954 29. 750 1. 00137. 60 F ATOM 4223 02 CYT F 4 11. 929 30. 941 30. 687 1. 00138. 40 F ATOM 4224 N3 CYT F 4 10. 086 30. 077 29. 682 1. 00136. 61 F ATOM 4225 C4 CYT F 4 9. 235 30. 125 28. 656 1. 00136. 04 F ATOM 4226 N4 CYT F 4 8. 228 29. 247 28. 639 1. 00136. 60 F ATOM 4227 C5 CYT F 4 9. 376 31. 077 27. 605 1. 00135. 64 F ATOM 4228 C2'CYT F 4 13. 555 32-574 27. 890 1. 00137. 53 F ATOM 4229 C5'CYT F 4 12. 169 35. 020 26. 231 1. 00139. 70 F ATOM 4230 C4'CYT F 4 12. 816 34. 820 27. 579 1. 00138. 40 F ATOM 4231 04'CYT F 4 11. 882 34. 141 28. 452 1. 00139. 82 F ATOM 4232 C1'CYT F 4 12. 386 32. 864 28. 826 1. 00138. 32 F ATOM 4233 C3'CYT F 4 14. 076 33. 960 27. 554 1. 00136. 55 F ATOM 4234 03'CYT F 4 15. 004 34. 434 28. 535 1. 00132. 52 F ATOM 4235 P THY F 5 16. 322 33. 585 28. 854 1. 00130. 70 F ATOM 4236 01P THY F 5 16. 818 33. 049 27. 559 1. 00130. 72 F ATOM 4237 02P THY F 5 17. 225 34. 401 29. 711 1. 00130. 11 F ATOM 4238 05'THY F 5 15. 765 32. 381 29. 732 1. 00127. 86 F ATOM 4239 N1 THY F 5 14. 149 28. 613 30. 140 1. 00113. 89 F ATOM 4240 C6 THY F 5 14. 002 29. 192 28. 897 1. 00111. 53 F ATOM 4241 C2 THY F 5 13. 391 27. 527 30. 517 1. 00112. 74 F ATOM 4242 02 THY F 5 13. 530 26. 958 31. 587 1. 00112. 45 F ATOM 4243 N3 THY F 5 12. 466 27. 127 29. 589 1. 00110. 20 F ATOM 4244 C4 THY F 5 12. 237 27. 676 28. 345 1. 00109. 13 F ATOM 4245 04 THY F 5 11. 343 27. 223 27. 636 1. 00107. 91 F ATOM 4246 C5 THY F 5 13. 102 28. 785 27. 991 1. 00110. 09 F ATOM 4247 C5A THY F 5 12. 956 29. 426 26. 642 1. 00109. 94 F ATOM 4248 C2'THY F 5 16. 494 29. 496 30. 593 1. 00118. 20 F ATOM 4249 C5'THY F 5 15. 420 32. 588 31. 096 1. 00123. 13 F ATOM 4250 C4'THY F 5 15. 641 31. 319 31. 882 1. 00120. 48 F ATOM 4251 04'THY F 5 14. 572 30. 384 31. 603 1. 00119. 76 F ATOM 4252 C1'THY F 5 15. 107 29. 158 31. 123 1. 00117. 04 F ATOM 4253 C3'THY F 5 16. 942 30. 585 31. 557 1. 00119. 79 F ATOM 4254 03'THY F 5 17. 489 30. 033 32. 762 1. 00120. 08 F ATOM 4255 P THY F 6 18. 843 29. 169 32. 706 1. 00121. 53 F ATOM 4256 O1P THY F 6 19. 490 29. 417 31. 384 1. 00121. 32 F ATOM 4257 02P THY F 6 19. 611 29. 404 33. 958 1. 00121. 08 F ATOM 4258 05'THY F 6 18. 318 27. 664 32. 748 1. 00120. 71 F ATOM 4259 NI THY F 6 16. 148 24. 786 30. 547 1. 00111. 26 F ATOM 4260 C6 THY F 6 16. 752 25. 508 29. 540 1. 00110. 47 F ATOM 4261 C2 THY F 6 14. 886 24. 273 30. 403 1. 00111. 47 F ATOM 4262 02 THY F 6 14. 312 23. 665 31. 292 1. 00112. 67 F ATOM 4263 N3 THY F 6 14. 314 24. 503 29. 179 1. 00110. 08 F ATOM 4264 C4 THY F 6 14. 862 25. 192 28. 116 1. 00109. 16 F ATOM 4265 04 THY F 6 14. 228 25. 300 27. 068 1. 00107. 19 F ATOM 4266 C5 THY F 6 16. 186 25. 734 28. 350 1. 00109. 94 F ATOM 4267 C5A THY F 6 16. 862 26. 513 27. 263 1. 00110. 08 F ATOM 4268 C2'THY F 6 18. 342 24. 680 31. 772 1. 00111. 99 F ATOM 4269 C5'THY F 6 17. 701 27. 131 33. 926 1. 00117. 22 F ATOM 4270 C4'THY F 6 17. 436 25. 652 33. 757 1. 00114. 58 F ATOM 4271 04'THY F 6 16. 377 25. 432 32. 792 1. 00114. 43 F ATOM 4272 C1'THY F 6 16. 838 24. 513 31. 812 1. 00112. 42 F ATOM 4273 C3'THY F 6 18. 636 24. 849 33. 249 1. 00112. 60 F ATOM 4274 03'THY F 6 18. 649 23. 565 33. 866 1. 00109. 69 F ATOM 4275 P ADE F 7 19. 514 23. 346 35. 192 1. 00109. 04 F ATOM 4276 O1P ADE F 7 20. 331 24. 576 35. 327 1. 00107. 13 F ATOM 4277 02P ADE F 7 18. 590 22. 947 36. 291 1. 00108. 08 F ATOM 4278 05'ADE F 7 20. 510 22. 142 34. 862 1. 00105. 36 F ATOM 4279 N9 ADE F 7 17. 513 20. 979 31. 346 1. 00 81. 87 F ATOM 4280 C4 ADE F 7 16. 643 21. 060 30. 287 1. 00 76. 82 F ATOM 4281 N3 ADE F 7 15. 367 20. 641 30. 249 1. 00 74. 49 F ATOM 4282 C2 ADE F 7 14. 840 20. 865 29. 053 1. 00 71. 48 F ATOM 4283 N1 ADE F 7 15. 394 21. 425 27. 975 1. 00 70. 40 F ATOM 4284 C6 ADE F 7 16. 679 21. 841 28. 048 1. 00 73. 09 F ATOM 4285 N6 ADE F 7 17. 236 22. 405 26. 969 1. 00 71. 59 F ATOM 4286 C5 ADE F 7 17. 356 21. 654 29. 260 1. 00 74. 64 F ATOM 4287 N7 ADE F 7 18. 654 21. 945 29. 659 1. 00 75. 30 F ATOM 4288 C8 ADE F 7 18. 698 21. 529 30. 902 1. 00 79. 12 F ATOM 4289 C2'ADE F 7 17. 903 19. 050 32. 850 1. 00 90. 01 F ATOM 4290 C5'ADE F 7 20. 095 20. 961 34. 162 1. 00 99. 17 F ATOM 4291 C4'ADE F 7 18. 679 20. 569 34. 530 1. 00 94. 37 F ATOM 4292 04'ADE F 7 17. 770 21. 281 33. 654 1. 00 92. 20 F ATOM 4293 C1'ADE F 7 17. 226 20. 403 32. 664 1. 00 87. 82 F ATOM 4294 C3'ADE F 7 18. 404 19. 087 34. 282 1. 00 91. 79 F ATOM 4295 03'ADE F 7 17. 420 18. 584 35. 191 1. 00 90. 31 F ATOM 4296 P THY F 8 17. 120 17. 008 35. 237 1. 00 88. 73 F ATOM 4297 01P THY F 8 18. 364 16. 298 35. 640 1. 00 88. 27 F ATOM 4298 02P THY F 8 15. 848 16. 746 35. 956 1. 00 89. 93 F ATOM 4299 05'THY F 8 16. 839 16. 651 33. 725 1. 00 86. 77 F ATOM 4300 N1 THY F 8 16. 558 16. 804 29. 389 1. 00 62. 22 F ATOM 4301 C6 THY F 8 17. 816 17. 184 29. 805 1. 00 60. 15 F ATOM 4302 C2 THY F 8 15. 979 17. 351 28. 262 1. 00 60. 30 F ATOM 4303 02 THY F 8 14. 841 17. 076 27. 909 1. 00 60. 67 F ATOM 4304 N3 THY F 8 16. 771 18. 238 27. 571 1. 00 55. 70 F ATOM 4305 C4 THY F 8 18. 040 18. 648 27. 907 1. 00 56. 95 F ATOM 4306 04 THY F 8 18. 623 19. 454 27. 191 1. 00 55. 92 F ATOM 4307 C5 THY F 8 18. 581 18. 064 29. 131 1. 00 58. 67 F ATOM 4308 C5A THY F 8 19. 955 18. 468 29. 573 1. 00 56. 67 F ATOM 4309 C2'THY F 8 16. 495 14. 420 30. 172 1. 00 73. 46 F ATOM 4310 C5'THY F 8 16. 884 15. 315 33. 293 1. 00 81. 58 F ATOM 4311 C4'THY F 8 15. 742 15. 055 32. 347 1. 00 78. 43 F ATOM 4312 04'THY F 8 15. 633 16. 191 31. 445 1. 00 76. 32 F ATOM 4313 C1'THY F 8 15. 789 15. 770 30. 105 1. 00 68. 88 F ATOM 4314 C3'THY F 8 16. 001 13. 826 31. 480 1. 00 76. 59 F ATOM 4315 03'THY F 8 14. 831 13. 008 31. 329 1. 00 76. 34 F ATOM 4316 P ADE F 9 14. 902 11. 709 30. 393 1. 00 76. 26 F ATOM 4317 O1P ADE F 9 16. 358 11. 565 30. 135 1. 00 73. 54 F ATOM 4318 02P ADE F 9 14. 112 10. 564 30. 941 1. 00 71. 30 F ATOM 4319 05'ADE F 9 14. 189 12. 196 29. 056 1. 00 74. 55 F ATOM 4320 N9 ADE F 9 15. 341 14. 008 26. 279 1. 00 41. 87 F ATOM 4321 C4 ADE F 9 15. 998 14. 890 25. 451 1. 00 38. 92 F ATOM 4322 N3 ADE F 9 15. 547 15. 433 24. 293 1. 00 35. 48 F ATOM 4323 C2 ADE F 9 16. 476 16. 239 23. 766 1. 00 37. 72 F ATOM 4324 N1 ADE F 9 17. 706 16. 546 24. 240 1. 00 36. 26 F ATOM 4325 C6 ADE F 9 18. 104 15. 987 25. 410 1. 00 36. 88 F ATOM 4326 N6 ADE F 9 19. 318 16. 282 25. 899 1. 00 40. 03 F ATOM 4327 C5 ADE F 9 17. 220 15. 115 26. 050 1. 00 35. 69 F ATOM 4328 N7 ADE F 9 17. 326 14. 383 27. 222 1. 00 39. 13 F ATOM 4329 C8 ADE F 9 16. 181 13. 746 27. 302 1. 00 41. 12 F ATOM 4330 C2'ADE F 9 13. 900 11. 967 26. 169 1. 00 62. 14 F ATOM 4331 C5'ADE F 9 12. 828 12. 667 29. 084 1. 00 72. 79 F ATOM 4332 C4'ADE F 9 12. 357 12. 973 27. 682 1. 00 69. 31 F ATOM 4333 04'ADE F 9 13. 204 14. 012 27. 141 1. 00 64. 89 F ATOM 4334 C1'ADE F 9 14. 005 13. 481 26. 099 1. 00 55. 71 F ATOM 4335 C3'ADE F 9 12. 514 11. 778 26. 745 1. 00 67. 34 F ATOM 4336 03'ADE F 9 11. 548 11. 854 25. 709 1. 00 72. 50 F ATOM 4337 P ADE F 10 11. 357 10. 612 24. 725 1. 00 77. 29 F ATOM 4338 O1P ADE F 10 12. 381 9. 607 25. 142 1. 00 75. 15 F ATOM 4339 02P ADE F 10 9. 904 10. 248 24. 685 1. 00 75. 38 F ATOM 4340 05'ADE F 10 11. 788 11. 190 23. 310 1. 00 77. 05 F ATOM 4341 N9 ADE F 10 16. 325 13. 199 22. 055 1. 00 71. 22 F ATOM 4342 C4 ADE F 10 17. 471 13. 927 21. 855 1. 00 70. 50 F ATOM 4343 N3 ADE F 10 17. 699 14. 827 20. 881 1. 00 69. 74 F ATOM 4344 C2 ADE F 10 18. 925 15. 333 20. 993 1. 00 71. 45 F ATOM 4345 N1 ADE F 10 19. 873 15. 069 21. 906 1. 00 71. 76 F ATOM 4346 C6 ADE F 10 19. 604 14. 169 22. 880 1. 00 70. 49 F ATOM 4347 N6 ADE F 10 20. 543 13. 924 23. 792 1. 00 71. 04 F ATOM 4348 C5 ADE F 10 18. 340 13. 552 22. 868 1. 00 69. 09 F ATOM 4349 N7 ADE F 10 17. 748 12. 611 23. 700 1. 00 68. 70 F ATOM 4350 C8 ADE F 10 16. 556 12. 430 23. 172 1. 00 69. 50 F ATOM 4351 C2'ADE F 10 14. 697 11. 967 20. 560 1. 00 76. 63 F ATOM 4352 C5'ADE F 10 12. 965 11. 960 23. 205 1. 00 77. 32 F ATOM 4353 C4'ADE F 10 12. 946 12. 791 21. 946 1. 00 76. 83 F ATOM 4354 04'ADE F 10 14. 059 13. 702 22. 057 1. 00 76. 65 F ATOM 4355 C1'ADE F 10 15. 126 13. 278 21. 221 1. 00 74. 57 F ATOM 4356 C3'ADE F 10 13. 181 11. 985 20. 672 1. 00 75. 66 F ATOM 4357 03'ADE F 10 12. 546 12. 631 19. 560 1. 00 75. 04 F ATOM 4358 P ADE F 11 12. 523 11. 920 18. 113 1. 00 76. 57 F ATOM 4359 O1P ADE F 11 12. 891 10. 481 18. 293 1. 00 76. 15 F ATOM 4360 02P ADE F 11 11. 229 12. 266 17. 458 1. 00 73. 86 F ATOM 4361 05'ADE F 11 13. 678 12. 679 17. 317 1. 00 73. 98 F ATOM 4362 N9 ADE F 11 17. 452 12. 751 17. 453 1. 00 81. 17 F ATOM 4363 C4 ADE F 11 18. 718 12. 913 17. 971 1. 00 80. 15 F ATOM 4364 N3 ADE F 11 19. 661 13. 779 17. 562 1. 00 81. 41 F ATOM 4365 C2 ADE F 11 20. 745 13. 690 18. 329 1. 00 81. 03 F ATOM 4366 N1 ADE F 11 20. 975 12. 896 19. 383 1. 00 81. 21 F ATOM 4367 C6 ADE F 11 20. 009 12. 038 19. 770 1. 00 81. 14 F ATOM 4368 N6 ADE F 11 20. 240 11. 263 20. 829 1. 00 79. 80 F ATOM 4369 C5 ADE F 11 18. 811 12. 025 19. 030 1. 00 80. 42 F ATOM 4370 N7 ADE F 11 17. 646 11. 278 19. 150 1. 00 80. 90 F ATOM 4371 C8 ADE F 11 16. 878 11. 736 18. 188 1. 00 81. 70 F ATOM 4372 C2'ADE F 11 16. 092 12. 758 15. 299 1. 00 75. 66 F ATOM 4373 C5'ADE F 11 13. 492 14. 022 16-896 1. 00 74. 01 F ATOM 4374 C4'ADE F 11 14. 703 14. 514 16. 141 1. 00 75. 14 F ATOM 4375 04'ADE F 11 15. 868 14. 406 16. 991 1. 00 77. 46 F ATOM 4376 C1'ADE F 11 16. 837 13. 546 16. 382 1. 00 79. 01 F ATOM 4377 C3'ADE F 11 15. 057 13. 775 14. 845 1. 00 74. 68 F ATOM 4378 03'ADE F 11 15. 625 14. 745 13. 941 1. 00 71. 58 F ATOM 4379 P THY F 12 15. 896 14. 373 12. 402 1. 00 65. 06 F ATOM 4380 O1P THY F 12 15. 460 12. 966 12. 221 1. 00 64. 93 F ATOM 4381 02P THY F 12 15. 272 15. 440 11. 589 1. 00 67. 72 F ATOM 4382 05'THY F 12 17. 480 14. 524 12. 276 1. 00 62. 01 F ATOM 4383 N1 THY F 12 20. 723 11. 604 15. 075 1. 00 74. 74 F ATOM 4384 C6 THY F 12 19. 543 10. 902 15. 208 1. 00 74. 89 F ATOM 4385 C2 THY F 12 21. 726 11. 491 16. 016 1. 00 75. 05 F ATOM 4386 02 THY F 12 22. 790 12. 088 15. 938 1. 00 75. 73 F ATOM 4387 N3 THY F 12 21. 437 10. 643 17. 059 1. 00 74. 21 F ATOM 4388 C4 THY F 12 20. 278 9. 921 17. 258 1. 00 73. 65 F ATOM 4389 04 THY F 12 20. 164 9. 205 18. 253 1. 00 71. 84 F ATOM 4390 C5 THY F 12 19. 271 10. 090 16. 237 1. 00 74. 05 F ATOM 4391 C5A THY F 12 17. 970 9. 368 16. 375 1. 00 74. 49 F ATOM 4392 C2'THY F 12 20. 285 12. 106 12. 607 1. 00 70. 95 F ATOM 4393 C5'THY F 12 18. 283 14. 321 13. 427 1. 00 65. 50 F ATOM 4394 C4'THY F 12 19. 757 14. 353 13. 096 1. 00 68. 94 F ATOM 4395 04'THY F 12 20. 434 13. 796 14. 250 1. 00 69. 95 F ATOM 4396 C1'THY F 12 20. 953 12. 509 13. 919 1-00 72. 68 F ATOM 4397 C3'THY F 12 20. 192 13. 461 11. 934 1. 00 70. 84 F ATOM 4398 03'THY F 12 21. 524 13. 842 11. 550 1. 00 71. 22 F ATOM 4399 P ADE F 13 21. 762 14. 877 10. 346 1. 00 70. 78 F ATOM 4400 O1P ADE F 13 21. 226 14. 266 9. 095 1. 00 69. 20 F ATOM 4401 02P ADE F 13 21. 274 16. 218 10. 799 1. 00 73. 13 F ATOM 4402 05'ADE F 13 23. 352 14. 978 10. 260 1. 00 69. 53 F ATOM 4403 N9 ADE F 13 25. 165 12. 145 11. 649 1. 00 56. 83 F ATOM 4404 C4 ADE F 13 25. 175 11. 284 12. 717 1. 00 54. 57 F ATOM 4405 N3 ADE F 13 26. 074 11. 236 13. 712 1. 00 57. 88 F ATOM 4406 C2 ADE F 13 25. 717 10. 319 14. 623 1. 00 57. 37 F ATOM 4407 N1 ADE F 13 24. 642 9. 510 14. 641 1. 00 53. 07 F ATOM 4408 C6 ADE F 13 23. 765 9. 587 13. 626 1. 00 51. 29 F ATOM 4409 N6 ADE F 13 22. 695 8. 792 13. 654 1. 00 48. 69 F ATOM 4410 C5 ADE F 13 24. 033 10. 518 12. 596 1. 00 52. 95 F ATOM 4411 N7 ADE F 13 23. 345 10. 854 11. 440 1. 00 53. 49 F ATOM 4412 C8 ADE F 13 24. 069 11. 808 10. 910 1. 00 54. 10 F ATOM 4413 C2'ADE F 13 26. 200 13. 668 9. 933 1-00 65. 74 F ATOM 4414 C5'ADE F 13 24. 055 15. 949 11. 045 1. 00 67. 72 F ATOM 4415 C4'ADE F 13 25. 500 15. 547 11. 253 1. 00 66. 94 F ATOM 4416 04'ADE F 13 25. 571 14. 388 12. 114 1. 00 66. 79 F ATOM 4417 C1'ADE F 13 26. 094 13. 251 11. 406 1. 00 64. 36 F ATOM 4418 C3'ADE F 13 26. 281 15. 186 9. 987 1. 00 66. 31 F ATOM 4419 03'ADE F 13 27. 635 15. 652 10. 103 1. 00 66. 15 F ATOM 4420 P GUA F 14 28. 781 15. 004 9. 187 1. 00 65. 93 F ATOM 4421 O1P GUA F 14 28. 198 14. 709 7. 847 1. 00 62. 98 F ATOM 4422 02P GUA F 14 30. 042 15. 793 9. 296 1. 00 59. 63 F ATOM 4423 05'GUA F 14 29. 041 13. 629 9. 919 1. 00 66. 62 F ATOM 4424 N9 GUA F 14 28. 021 9. 682 10. 483 1. 00 66. 24 F ATOM 4425 C4 GUA F 14 27. 455 8. 844 11. 403 1. 00 64. 69 F ATOM 4426 N3 GUA F 14 28. 038 8. 430 12. 544 1. 00 65. 81 F ATOM 4427 C2 GUA F 14 27. 262 7. 619 13. 227 1. 00 67. 16 F ATOM 4428 N2 GUA F 14 27. 693 7. 133 14. 408 1. 00 69. 62 F ATOM 4429 N1 GUA F 14 26. 012 7. 230 12. 811 1. 00 65. 61 F ATOM 4430 C6 GUA F 14 25. 398 7. 639 11. 635 1. 00 65. 31 F ATOM 4431 06 GUA F 14 24. 281 7. 207 11. 351 1. 00 67. 74 F ATOM 4432 C5 GUA F 14 26. 212 8. 532 10. 905 1. 00 63. 50 F ATOM 4433 N7 GUA F 14 25. 987 9. 184 9. 701 1. 00 63. 56 F ATOM 4434 C8 GUA F 14 27. 091 9. 855 9. 488 1. 00 65. 44 F ATOM 4435 C2'GUA F 14 29. 997 10. 824 9. 353 1. 00 73. 68 F ATOM 4436 C5'GUA F 14 29. 841 13. 592 11. 078 1. 00 70. 42 F ATOM 4437 C4'GUA F 14 30. 402 12. 207 11. 246 1. 00 74. 32 F ATOM 4438 04'GUA F 14 29. 313 11. 303 11. 516 1. 00 74. 03 F ATOM 4439 C1'GUA F 14 29. 363 10. 243 10. 590 1. 00 69. 43 F ATOM 4440 C3'GUA F 14 31. 087 11. 664 9. 996 1. 00 76. 92 F ATOM 4441 03'GUA F 14 32. 143 10. 828 10. 450 1. 00 85. 78 F ATOM 4442 P CYT F 15 33. 451 10. 604 9. 544 1. 00 93. 06 F ATOM 4443 O1P CYT F 15 33. 139 10. 837 8. 097 1. 00 89. 88 F ATOM 4444 02P CYT F 15 34. 563 11. 358 10. 185 1. 00 91. 44 F ATOM 4445 05'CYT F 15 33. 670 9. 048 9. 773 1. 00 95. 81 F ATOM 4446 N1 CYT F 15 29. 957 5. 636 10 768 1. 00108. 92 F ATOM 4447 C6 CYT F 15 29. 824 6. 194 9. 524 1. 00108. 97 F ATOM 4448 C2 CYT F 15 28. 850 5. 108 11. 425 1. 00108. 18 F ATOM 4449 02 CYT F 15 29. 008 4. 604 12. 542 1. 00107. 34 F ATOM 4450 N3 CYT F 15 27. 638 5. 160 10. 824 1. 00108. 53 F ATOM 4451 C4 CYT F 15 27. 516 5. 705 9. 609 1. 00108. 48 F ATOM 4452 N4 CYT F 15 26. 306 5. 731 9. 049 1. 00108. 30 F ATOM 4453 C5 CYT F 15 28. 634 6. 247 8. 913 1. 00108. 61 F ATOM 4454 C2'CYT F 15 32. 388 5. 109 10. 510 1. 00111. 78 F ATOM 4455 C5'CYT F 15 32. 543 8. 245 10. 093 1. 00102. 50 F ATOM 4456 C4'CYT F 15 32. 847 7. 327 11. 249 1. 00107. 92 F ATOM 4457 04'CYT F 15 31. 588 6. 915 11. 818 1. 00109. 25 F ATOM 4458 Cl'CYT F 15 31. 269 5. 587 11. 432 1. 00109. 75 F ATOM 4459 C3'CYT F 15 33. 543 6. 048 10. 811 1. 00112. 65 F ATOM 4460 03'CYT F 15 34. 379 5-542 11. 853 1. 00119. 25 F ATOM 4461 P THY F 16 35. 195 4. 174 11. 621 1. 00124. 40 F ATOM 4462 O1P THY F 16 35. 756 4. 217 10. 239 1. 00122. 74 F ATOM 4463 02P THY F 16 36. 113 3. 988 12. 782 1. 00123. 41 F ATOM 4464 05'THY F 16 34. 058 3. 056 11. 675 1. 00127. 18 F ATOM 4465 N1 THY F 16 30. 583 1. 173 10. 354 1. 00142. 06 F ATOM 4466 C6 THY F 16 31. 285 1. 975 9. 481 1. 00142. 80 F ATOM 4467 C2 THY F 16 29. 216 1. 074 10. 288 1. 00142. 76 F ATOM 4468 02 THY F 16 28. 563 0. 374 11. 041 1. 00143. 11 F ATOM 4469 N3 THY F 16 28. 638 1. 831 9. 301 1. 00143. 20 F ATOM 4470 C4 THY F 16 29. 278 2. 657 8. 396 1. 00143. 15 F ATOM 4471 04 THY F 16 28. 623 3. 277 7. 560 1. 00143. 19 F ATOM 4472 C5 THY F 16 30. 712 2. 711 8. 523 1. 00143. 26 F ATOM 4473 C5A THY F 16 31. 492 3. 579 7. 589 1. 00144. 99 F ATOM 4474 C2'THY F 16 32. 269-0. 642 10. 832 1. 00140. 63 F ATOM 4475 C5'THY F 16 34. 347 1. 679 11. 444 1. 00133. 57 F ATOM 4476 C4'THY F 16 33. 430 0. 821 12. 287 1. 00137. 76 F ATOM 4477 04'THY F 16 32. 078 1. 317 12. 152 1. 00139. 71 F ATOM 4478 Cl'THY F 16 31. 296 0. 399 11. 390 1. 00140. 87 F ATOM 4479 C3'THY F 16 33. 374-0. 648 11. 875 1. 00139. 36 F ATOM 4480 03'THY F 16 32. 891-1. 428 12. 988 1. 00139. 15 F ATOM 4481 0 HOH W 200 2. 471 35. 736 26. 782 1. 00 54. 68 W ATOM 4482 0 HOH W 201-3. 989 9. 920-7. 684 1. 00 58. 45 W ATOM 4483 O HOH W 202-21. 483-8. 245-9. 978 1. 00 68. 75 W ATOM 4484 0 HOH W 203 3. 958-31. 984-32. 329 1. 00 53. 05 W ATOM 4485 O HOH W 204 13. 259 16. 588 19. 215 1. 00 67. 13 W ATOM 4486 0 HOH W 205 24. 315 17. 584 14. 113 1. 00 54. 51 W ATOM 4487 0 HOH W 207-11. 103-23. 594-6. 537 1. 00 47. 71 W ATOM 4488 O HOH W 208-16. 417-15. 590-24. 053 1. 00 67. 90 W ATOM 4489 O HOH W 209 10. 706-22. 716-24. 041 1. 00 57. 54 W ATOM 4490 0 HOH W 210 0. 335 7. 603 20. 214 1. 00 54. 09 W ATOM 4491 0 HOH W 212-4. 189 26. 872 18. 433 1. 00 50. 84 W ATOM 4492 0 HOH W 213-4. 549-24. 542-4. 966 1. 00 51. 46 W ATOM 4493 0 HOH W 215-11. 936-25. 732-28. 925 1. 00 57. 76 W ATOM 4494 0 HOH W 220 14. 632-17. 860-10. 899 1. 00 56. 31 W ATOM 4495 0 HOH W 222 14. 620-21. 837-10. 621 1. 00 54. 72 W ATOM 4496 O HOH W 223-16. 232-28. 892-11. 154 1. 00 68. 14 W ATOM 4497 0 HOH W 224 22. 654 14. 443 26. 487 1. 00 55. 17 W ATOM 4498 O HOH W 225 7. 852 34. 247 34. 822 1. 00 53. 94 W ATOM 4499 O HOH W 226 11. 016-24. 055-21. 469 1. 00 48. 56 W ATOM 4500 0 HOH W 227 14. 941 27. 164 24. 965 1. 00 46. 46 W ATOM 4501 O HOH W 228 4. 796 24. 031 34. 092 1. 00 50. 33 W ATOM 4502 0 HOH W 230-2. 278-40. 417-29. 565 1. 00 56. 45 W ATOM 4503 O HOH W 232 11. 065 8. 007 23. 288 1. 00 44. 06 W ATOM 4504 O HOH W 233-23. 288-9. 759 2. 800 1. 00 68. 96 W ATOM 4505 0 HOH W 234-4. 533 24. 145 20. 655 1. 00 61. 86 W ATOM 4506 O HOH W 236 18. 179 9. 300 22. 394 1. 00 58. 98 W ATOM 4507 O HOH W 237 1. 620-38. 381-18. 618 1. 00 53. 77 W ATOM 4508 0 HOH W 238 14. 077-27. 441-9. 857 1. 00 67. 79 W ATOM 4509 O HOH W 239-0. 995 13. 194-14. 762 1. 00 67. 99 W ATOM 4510 O HOH W 241-14. 566-18. 394-30. 626 1. 00 44. 46 W ATOM 4511 O HOH W 244-16. 764-11. 326 4. 061 1. 00 71. 75 W ATOM 4512 O HOH W 245-11. 648-20. 694-5. 146 1. 00 46. 00 W ATOM 4513 O HOH W 246-14. 730-11. 542-4. 489 1. 00 66. 33 W ATOM 4514 O HOH W 248-6. 896-3. 035-25. 480 1. 00 49. 69 W ATOM 4515 O HOH W 250 21. 371 33. 537 19. 103 1. 00 66. 58 W ATOM 4516 O HOH W 253 12. 542 24. 712-1. 438 1. 00 61. 75 W ATOM 4517 O HOH W 256-17. 817-17. 154-16. 011 1. 00 60. 18 W ATOM 4518 O HOH W 259-8. 603-29. 199-23. 790 1. 00 56. 98 W ATOM 4519 O HOH W 260 2. 709 22. 679-12. 279 1. 00 50. 95 W END TABLE 2 size of crystal CRYST1 (angstrom) 70. 14 70. 14 151. 88 90 90 90 (angle of three axis) reference ORIGX1 orientation 1 0 0 0 reference ORIGX2 orientation 0 1 0 0 reference ORIGX3 orientation 0 0 1 0 reference SCALE1 orientation 0. 014257 0 0 0 reference SCALE2 orientation 0 0. 014257 0 0 reference SCALE3 orientation 0 0 0. 006584 0 *Type of chemical. Ex. C and D are one form of DNA E and F is a different form of DNA Atom Amino Residue X Y Z number Chemical Acid Chain ID'number coordinate coordinate coordinate Occupancy B factor Chain ID* 1 C GLY A 2 20. 669 6. 14 10. 223 1 53. 07 A ATOM 2 O GLY A 2 19. 528 6. 273 9. 78 1 51. 26 A ATOM 3 N GLY A 2 20. 123 7. 948 11. 833 1 50. 78 A ATOM 4 CA GLY A 2 21. 134 6. 954 11. 411 1 52. 45 A ATOM 5 N ARG A 3 21. 548 5. 289 9. 704 1 54. 94 A ATOM 6 CA ARG A 3 21. 191 4. 466 8. 555 1 56. 45 A ATOM 7 CB ARG A 3 22. 295 3. 458 8. 242 1 57. 68 A ATOM 8 CG ARG A 3 23. 668 4. 07 8. 021 1 61. 37 A ATOM 9 CD ARG A 3 23. 639 5. 159 6. 957 1 64. 71 A ATOM 10 NE ARG A 3 24. 978 5. 485 6. 486 1 69. 73 A ATOM 11 CZ ARG A 3 25. 716 4. 681 5. 725 1 72. 05 A ATOM 12 NH1 ARG A 3 25. 238 3. 501 5. 344 1 72. 72 A ATOM 13 NH2 ARG A 3 26. 934 5. 056 5. 352 1 73. 17 A ATOM 14 C ARG A 3 19. 896 3. 719 8. 816 1 56. 11 A ATOM 15 O ARG A 3 19. 097 3. 51 7. 906 1 56. 34 A ATOM 16 N LYS A 4 19. 69 3. 327 10. 069 1 55. 74 A ATOM 17 CA LYS A 4 18. 495 2. 585 10. 436 1 55. 97 A ATOM 18 CB LYS A 4 18. 857 1. 105 10. 585 1 57. 89 A ATOM 19 CG LYS A 4 17. 705 0. 188 10. 929 1 62. 04 A ATOM 20 CD LYS A 4 18. 232-1. 236 11. 088 1 66. 9 A ATOM 21 CE LYS A 4 17. 18-2. 191 11. 612 1 67. 91 A ATOM 22 NZ LYS A 4 17. 781-3. 511 11. 947 1 70. 06 A ATOM 23 C LYS A 4 17. 883 3. 111 11. 732 1 54. 16 A ATOM 24 O LYS A 4 18. 589 3. 608 12. 607 1 53. 14 A ATOM 25 N LYS A 5 16. 564 3. 015 11. 842 1 53. 09 A ATOM 26 CA LYS A 5 15. 873 3. 455 13. 041 1 52. 8 A ATOM 27 CB LYS A 5 14. 386 3. 653 12. 76 1 51. 15 A ATOM 28 CG LYS A 5 13. 562 3. 865 14. 013 1 51. 82 A ATOM 29 CD LYS A 5 12. 083 4. 028 13. 704 1 51. 52 A ATOM 30 CE LYS A 5 11. 276 4. 149 14. 987 1 53. 5 A ATOM 31 NZ LYS A 5 9. 809 4. 284 14. 74 1 54. 89 A ATOM 32 C LYS A 5 16. 044 2. 396 14. 126 1 53. 15 A ATOM 33 O LYS A 5 15. 818 1. 205 13. 884 1 53. 29 A ATOM 34 N ILE A 6 16. 452 2. 826 15. 315 1 52. 91 A ATOM 35 CA ILE A 6 16. 627 1. 898 16. 419 1 51. 92 A ATOM 36 CB ILE A 6 17. 965 2 : 113 17. 142 1 51. 7 A ATOM 37 CG2 ILE A 6 19. 108 1. 865 16. 184 1 52. 04 A ATOM 38 CG1 ILE A 6 18. 033 3. 525 17. 727 1 50. 81 A ATOM 39 CD1 ILE A 6 19. 234 3. 746 18. 627 1 50. 95 A ATOM 40 C ILE A 6 15. 509 2. 051 17. 437 1 52. 18 A ATOM 41 O ILE A 6 15. 039 3. 163 17. 702 1 52. 29 A ATOM 42 N GLN A 7 15. 076 0. 925 17. 992 1 51. 18 A ATOM 43 CA GLN A 7 14. 026 0. 937 18. 999 1 50. 4 A ATOM 44 CB GLN A 7 13. 464-0. 475 19. 21 1 51. 85 A ATOM 45 CG GLN A 7 12. 874-1. 087 17. 952 1 57. 57 A ATOM 46 CD GLN A 7 11. 835-0. 185 17. 307 1 59. 45 A ATOM 47 OE1 GLN A 7 10. 791 0. 099 17. 901 1 62. 28 A ATOM 48 NE2 GLN A 7 12. 119 0. 277 16. 088 1 59. 4 A ATOM 49 C GLN A 7 14. 659 1. 432 20. 289 1 46. 84 A ATOM 50 O GLN A 7 15. 868 1. 304 20. 485 1 45. 96 A ATOM 51 N ILE A 8 13. 846 1. 996 21. 169 1 43. 93 A ATOM 52 CA ILE A 8 14. 379 2. 484 22. 424 1 41. 77 A ATOM 53 CB ILE A 8 13. 621 3. 736 22. 918 1 37. 99 A ATOM 54 CG2 ILE A 8 14. 258 4. 249 24. 192 1 37. 73 A ATOM 55 CG1 ILE A 8 13. 628 4. 814 21. 833 1 37. 43 A ATOM 56 CD1 ILE A 8 15. 024 5. 184 21. 331 1 37. 47 A ATOM 57 C ILE A 8 14. 315 1. 394 23. 485 1 39. 54 A ATOM 58 O ILE A 8 13. 321 1. 258 24. 191 1 40. 73 A ATOM 59 N SER A 9 15. 381 0. 608 23. 562 1 37. 56 A ATOM 60 CA SER A 9 15. 521-0. 468 24. 542 1 37. 89 A ATOM 61 CB SER A 9 14. 82-1. 742 24. 077 1 41. 09 A ATOM 62 OG SER A 9 15. 086-1. 995 22. 712 1 41. 97 A ATOM 63 C SER A 9 17. 009-0. 707 24. 697 1 37. 02 A ATOM 64 O SER A 9 17. 788-0. 359 23. 812 1 36. 45 A ATOM 65 N ARG A 10 17. 401-1. 279 25. 826 1 37. 73 A ATOM 66 CA ARG A 10 18. 803-1. 515 26. 12 1 39. 56 A ATOM 67 CB ARG A 10 18. 94-2. 432 27. 339 1 38. 72 A ATOM 68 CG ARG A 10 20. 37-2. 666 27. 793 1 41. 71 A ATOM 69 CD ARG A 10 20. 419-3. 255 29. 213 1 46. 33 A ATOM 70 NE ARG A 10 21. 785-3. 553 29. 645 1 46. 47 A ATOM 71 CZ ARG A 10 22. 493-4. 585 29. 198 1 47. 92 A ATOM 72 NH1 ARG A 10 21. 962-5. 417 28. 317 1 49. 62 A ATOM 73 NH2 ARG A 10 23. 736-4. 771 29. 612 1 46. 92 A ATOM 74 C ARG A 10 19. 557-2. 088 24. 93 1 42. 39 A ATOM 75 O ARG A 10 19. 11-3. 04 24. 295 1 42. 55 A ATOM 76 N ILE A 11 20. 69-1. 47 24. 612 1 43. 38 A ATOM 77 CA ILE A 11 21. 522-1. 922 23. 506 1 43. 48 A ATOM 78 CB ILE A 11 22. 536-0. 825 23. 092 1 41. 63 A ATOM 79 CG2 ILE A 11 23. 571-1. 397 22. 112 1 42. 8 A ATOM 80 CG1 ILE A 11 21. 777 0. 355 22. 466 1 41. 71 A ATOM 81 CD1 ILE A 11 22. 639 1. 566 22. 125 1 40. 68 A ATOM 82 C ILE A 11 22. 243-3. 164 24. 017 1 44. 12 A ATOM 83 O ILE A 11 22. 938-3. 112 25. 03 1 42. 26 A ATOM 84 N LEU A 12 22. 063-4. 279 23. 311 1 45. 5 A ATOM 85 CA LEU A 12 22. 658-5. 551 23. 715 1 48. 69 A ATOM 86 CB LEU A 12 22. 006-6. 693 22. 932 1 51. 69 A ATOM 87 CG LEU A 12 20. 49-6. 8 23. 13 1 54. 8 A ATOM 88 CD1 LEU A 12 19. 93-7. 943 22. 283 1 57. 3 A ATOM 89 CD2 LEU A 12 20. 175-6. 995 24. 617 1 57. 13 A ATOM 90 C LEU A 12 24. 175-5. 633 23. 6 1 49. 12 A ATOM 91 O LEU A 12 24. 845-6. 088 24. 523 1 51. 01 A ATOM 92 N ASP A 13 24. 722-5. 184 22. 477 1 48. 85 A ATOM 93 CA ASP A 13 26. 164-5. 228 22. 284 1 49. 69 A ATOM 94 CB ASP A 13 26. 499-5 20. 81 1 50. 82 A ATOM 95 CG ASP A 13 27. 985-5. 054 20. 547 1 51. 6 A ATOM 96 OD1 ASP A 13 28. 596-6. 088 20. 859 1 52. 96 A ATOM 97 OD2 ASP A 13 28. 554-4. 063 20. 041 1 53. 94 A ATOM 98 C ASP A 13 26. 92-4. 212 23. 149 1 49. 79 A ATOM 99 O ASP A 13 26. 726-3 23. 02 1 49. 43 A ATOM 100 N GLN A 14 27. 791-4. 713 24. 021 1 48. 85 A ATOM 101 CA GLN A 14 28. 573-3. 855 24. 907 1 50. 18 A ATOM 102 CB GLN A 14 29. 531-4. 7 25. 75 1 52 A ATOM 103 CG GLN A 14 30. 425-3. 884 26. 673 1 56. 43 A ATOM 104 CD GLN A 14 31. 321-4. 753 27. 546 1 60. 71 A ATOM 105 OE1 GLN A 14 32. 264-4. 259 28. 178 1 62. 55 A ATOM 106 NE2 GLN A 14 31. 027-6. 054 27. 593 1 60. 06 A ATOM 107 C GLN A 14 29. 367-2. 756 24. 197 1 49. 64 A ATOM 108 O GLN A 14 29. 427-1. 625 24. 681 1 48. 68 A ATOM 109 N ARG A 15 29. 984-3. 086 23. 065 1 49. 63 A ATOM 110 CA ARG A 15 30. 777-2. 111 22. 31 1 49. 03 A ATOM 111 CB ARG A 15 31. 51-2. 787 21. 151 1 52. 61 A ATOM 112 CG ARG A 15 32. 444-3. 913 21. 569 1 60. 35 A ATOM 113 CD ARG A 15 32. 798-4. 802 20. 378 1 65. 15 A ATOM 114 NE ARG A 15 33. 499-6. 021 20. 781 1 68. 25 A ATOM 115 CZ ARG A 15 34. 705-6. 045 21. 345 1 69. 82 A ATOM 116 NH1 ARG A 15 35. 362-4. 91 21. 573 1 69. 75 A ATOM 117 NH2 ARG A 15 35. 244-7. 207 21. 694 1 69. 56 A ATOM 118 C ARG A 15 29. 913-0. 994 21. 745 1 46. 33 A ATOM 119 O ARG A 15 30. 261 0. 182 21. 848 1 47. 49 A ATOM 120 N ASN A 16 28. 794-1. 367 21. 138 1 43. 37 A ATOM 121 CA ASN A 16 27. 893-0. 394 20. 55 1 43. 65 A ATOM 122 CB ASN A 16 26. 865-1. 097 19. 655 1 45. 07 A ATOM 123 CG ASN A 16 27. 509-1. 764 18. 433 1 48. 69 A ATOM 124 OD1 ASN A 16 28. 63-1. 421 18. 043 1 48. 38 A ATOM 125 ND2 ASN A 16 26. 789-2. 705 17. 813 1 46. 35 A ATOM 126 C ASN A 16 27. 193 0. 447 21. 62 1 42. 8 A ATOM 127 O ASN A 16 26. 923 1. 629 21. 405 1 41. 92 A ATOM 128 N ARG A 17 26. 917-0. 161 22. 772 1 41. 11 A ATOM 129 CA ARG A 17 26. 263 0. 546 23. 864 1 39. 88 A ATOM 130 CB ARG A 17 25. 923-0. 431 24. 991 1 38. 48 A ATOM 131 CG ARG A 17 25. 03 0. 136 26. 099 1 40. 41 A ATOM 132 CD ARG A 17 24. 631-0. 947 27. 095 1 42. 61 A ATOM 133 NE ARG A 17 25. 8-1. 527 27. 737 1 47. 29 A ATOM 134 CZ ARG A 17 26. 002-2. 833 27. 922 1 44. 64 A ATOM 135 NH1 ARG A 17 25. 108-3. 726 27. 512 1 42. 71 A ATOM 136 NH2 ARG A 17 27. 115-3. 25 28. 527 1 44. 01 A ATOM 137 C ARG A 17 27. 183 1. 653 24. 381 1 38. 98 A ATOM 138 O ARG A 17 26. 739 2. 771 24. 626 1 36. 48 A ATOM 139 N GLN A 18 28. 464 1. 337 24. 527 1 39. 07 A ATOM 140 CA GLN A 18 29. 447 2. 301 25. 008 1 40. 19 A ATOM 141 CB GLN A 18 30. 75 1. 583 25. 367 1 41. 07 A ATOM 142 CG GLN A 18 31. 941 2. 5 25. 648 1 49. 66 A ATOM 143 CD GLN A 18 31. 709 3. 464 26. 805 1 54. 03 A ATOM 144 OE1 GLN A 18 31. 199 3. 077 27. 86 1 57. 36 A ATOM 145 NE2 GLN A 18 32. 104 4. 724 26. 617 1 54. 41 A ATOM 146 C GLN A 18 29. 727 3. 42 23. 998 1 39. 36 A ATOM 147 O GLN A 18 30. 011 4. 56 24. 383 1 38. 7 A ATOM 148 N VAL A 19 29. 645 3. 099 22. 713 1 37. 14 A ATOM 149 CA VAL A 19 29. 88 4. 094 21. 671 1 37. 82 A ATOM 150 CB VAL A 19 30. 1 3. 432 20. 286 1 39. 08 A ATOM 151 CG1 VAL A 19 29. 916 4. 461 19. 182 1 39. 73 A ATOM 152 CG2 VAL A 19 31. 504 2. 835 20. 221 1 36. 88 A ATOM 153 C VAL A 19 28. 686 5. 028 21. 599 1 37. 35 A ATOM 154 O VAL A 19 28. 851 6. 242 21. 529 1 39. 64 A ATOM 155 N THR A 20 27. 482 4. 464 21. 609 1 37. 06 A ATOM 156 CA THR A 20 26. 265 5. 276 21. 579 1 36. 41 A ATOM 157 CB THR A 20 25. 014 4. 388 21. 552 1 34. 44 A ATOM 158 OG1 THR A 20 25. 01 3. 625 20. 343 1 35. 61 A ATOM 159 CG2 THR A 20 23. 746 5. 229 21. 628 1 35. 04 A ATOM 160 C THR A 20 26. 219 6. 168 22. 832 1 34. 9 A ATOM 161 O THR A 20 25. 783 7. 312 22. 77 1 35. 14 A ATOM 162 N PHE A 21 26. 682 5. 636 23. 962 1 34 A ATOM 163 CA PHE A 21 26. 692 6. 394 25. 214 1 34. 74 A ATOM 164 CB PHE A 21 27. 272 5. 563 26. 365 1 29. 49 A ATOM 165 CG PHE A 21 27. 359 6. 312 27. 663 1 29. 57 A ATOM 166 CD1 PHE A 21 26. 21 6. 606 28. 392 1 26. 91 A ATOM 167 CD2 PHE A 21 28. 592 6. 763 28. 142 1 29. 99 A ATOM 168 CE1 PHE A 21 26. 282 7. 341 29. 593 1 27. 79 A ATOM 169 CE2 PHE A 21 28. 677 7. 493 29. 333 1 29. 98 A ATOM 170 CZ PHE A 21 27. 513 7. 785 30. 061 1 27. 66 A ATOM 171 C PHE A 21 27. 522 7. 664 25. 088 1 36. 88 A ATOM 172 O PHE A 21 27. 059 8. 758 25. 419 1 35. 48 A ATOM 173 N THR A 22 28. 762 7. 495 24. 635 1 38. 82 A ATOM 174 CA THR A 22 29. 683 8. 606 24. 491 1 38. 01 A ATOM 175 CB THR A 22 31. 069 8. 122 24. 017 1 38. 35 A ATOM 176 OG1 THR A 22 31. 694 7. 383 25. 071 1 39. 69 A ATOM 177 CG2 THR A 22 31. 958 9. 305 23. 644 1 38. 08 A ATOM 178 C THR A 22 29. 171 9. 673 23. 538 1 38. 19 A ATOM 179 O THR A 22 29. 244 10. 856 23. 849 1 37. 86 A ATOM 180 N LYS A 23 28. 64 9. 277 22. 391 1 37. 54 A ATOM 181 CA LYS A 23 28. 171 10. 288 21. 463 1 40. 47 A ATOM 182 CB LYS A 23 28. 128 9. 745 20. 026 1 46. 32 A ATOM 183 CG LYS A 23 27. 155 8. 618 19. 776 1 51. 88 A ATOM 184 CD LYS A 23 27. 058 8. 315 18. 276 1 56. 29 A ATOM 185 CE LYS A 23 28. 414 7. 999 17. 66 1 57. 16 A ATOM 186 NZ LYS A 23 28. 278 7. 55 16. 242 1 60. 2 A ATOM 187 C LYS A 23 26. 832 10. 914 21. 845 1 37. 78 A ATOM 188 O LYS A 23 26. 663 12. 114 21. 684 1 38. 39 A ATOM 189 N ARG A 24 25. 889 10. 126 22. 361 1 35. 56 A ATOM 190 CA ARG A 24 24. 601 10. 696 22. 756 1 32. 87 A ATOM 191 CB ARG A 24 23. 542 9. 611 22. 977 1 32. 71 A ATOM 192 CG ARG A 24 22. 741 9. 289 21. 714 1 33. 07 A ATOM 193 CD ARG A 24 21. 774 8. 132 21. 946 1 34. 35 A ATOM 194 NE ARG A 24 20. 971 7. 794 20. 772 1 33. 83 A ATOM 195 CZ ARG A 24 19. 7 8. 14 20. 594 1 35. 38 A ATOM 196 NH1 ARG A 24 19. 061 8. 849 21. 518 1 37. 23 A ATOM 197 NH2 ARG A 24 19. 056 7. 761 19. 494 1 34. 42 A ATOM 198 C ARG A 24 24. 744 11. 557 23. 998 1 30. 73 A ATOM 199 O ARG A 24 23. 983 12. 513 24. 182 1 30. 61 A ATOM 200 N LYS A 25 25. 729 11. 23 24. 834 1 27. 08 A ATOM 201 CA LYS A 25 25. 999 12. 018 26. 03 1 28. 75 A ATOM 202 CB LYS A 25 27. 095 11. 372 26. 891 1 25. 88 A ATOM 203 CG LYS A 25 27. 565 12. 253 28. 038 1 32. 39 A ATOM 204 CD LYS A 25 28. 295 11. 457 29. 139 1 36. 74 A ATOM 205 CE LYS A 25 29. 616 10. 854 28. 667 1 36. 74 A ATOM 206 NZ LYS A 25 30. 637 11. 88 28. 324 1 38. 92 A ATOM 207 C LYS A 25 26. 445 13. 424 25. 613 1 29. 3 A ATOM 208 O LYS A 25 26. 01 14. 417 26. 197 1 29. 63 A ATOM 209 N PHE A 26 27. 319 13. 506 24. 612 1 30. 35 A ATOM 210 CA PHE A 26 27. 775 14. 806 24. 149 1 32. 59 A ATOM 211 CB PHE A 26 28. 915 14. 677 23. 144 1 35. 94 A ATOM 212 CG PHE A 26 29. 399 16 22. 636 1 36. 74 A ATOM 213 CD1 PHE A 26 30. 188 16. 814 23. 435 1 37. 58 A ATOM 214 CD2 PHE A 26 28. 994 16. 468 21. 387 1 36. 67 A ATOM 215 CE1 PHE A 26 30. 568 18. 089 23. 001 1 36. 46 A ATOM 216 CE2 PHE A 26 29. 367 17. 733 20. 946 1 37. 33 A ATOM 217 CZ PHE A 26 30. 156 18. 546 21. 76 1 36. 66 A ATOM 218 C PHE A 26 26. 61 15. 537 23. 495 1 32. 14 A ATOM 219 O PHE A 26 26. 419 16. 731 23. 707 1 33. 91 A ATOM 220 N GLY A 27 25. 824 14. 808 22. 708 1 32. 43 A ATOM 221 CA GLY A 27 24. 67 15. 396 22. 05 1 29. 59 A ATOM 222 C GLY A 27 23. 704 16. 011 23. 044 1 30. 44 A ATOM 223 O GLY A 27 23. 13 17. 076 22. 789 1 30. 89 A ATOM 224 N LEU A 28 23. 546 15. 359 24. 194 1 27. 05 A ATOM 225 CA LEU A 28 22. 641 15. 849 25. 226 1 27. 72 A ATOM 226 CB LEU A 28 22. 396 14. 758 26. 28 1 28. 54 A ATOM 227 CG LEU A 28 21. 386 15. 004 27. 393 1 26. 74 A ATOM 228 CD1 LEU A 28 20. 018 15. 167 26. 815 1 27. 45 A ATOM 229 CD2 LEU A 28 21. 409 13. 827 28. 377 1 27. 53 A ATOM 230 C LEU A 28 23. 209 17. 093 25. 893 1 26. 76 A ATOM 231 O LEU A 28 22. 484 18. 048 26. 157 1 26. 77 A ATOM 232 N MET A 29 24. 501 17. 075 26. 192 1 26. 08 A ATOM 233 CA MET A 29 25. 114 18. 245 26. 802 1 26. 87 A ATOM 234 CB MET A 29 26. 563 17. 953 27. 212 1 28. 97 A ATOM 235 CG MET A 29 26. 676 16. 887 28. 307 1 32. 83 A ATOM 236 SD MET A 29 28. 344 16. 721 28. 953 1 36. 13 A ATOM 237 CE MET A 29 29. 188 15. 901 27. 545 1 40. 07 A ATOM 238 C MET A 29 25. 065 19. 404 25. 799 1 26. 52 A ATOM 239 O MET A 29 24. 721 20. 531 26. 162 1 25. 46 A ATOM 240 N LYS A 30 25. 365 19. 116 24. 535 1 27. 53 A ATOM 241 CA LYS A 30 25. 343 20. 172 23. 518 1 30. 04 A ATOM 242 CB LYS A 30 25. 67 19. 629 22. 12 1 30. 85 A ATOM 243 CG LYS A 30 25. 548 20. 702 21. 04 1 36. 98 A ATOM 244 CD LYS A 30 26. 038 20. 233 19. 69 1 40. 4 A ATOM 245 CE LYS A 30 25. 776 21. 302 18. 637 1 43. 86 A ATOM 246 NZ LYS A 30 26. 143 20. 811 17. 285 1 48. 64 A ATOM 247 C LYS A 30 23. 986 20. 842 23. 496 1 29. 43 A ATOM 248 O LYS A 30 23. 886 22. 074 23. 488 1 31. 45 A ATOM 249 N LYS A 31 22. 929 20. 039 23. 506 1 27. 86 A ATOM 250 CA LYS A 31 21. 591 20. 602 23. 501 1 27. 17 A ATOM 251 CB LYS A 31 20. 549 19. 513 23. 199 1 29. 51 A ATOM 252 CG LYS A 31 20. 429 19. 223 21. 69 1 31. 85 A ATOM 253 CD LYS A 31 19. 146 18. 499 21. 348 1 37. 35 A ATOM 254 CE LYS A 31 18. 95 18. 331 19. 834 1 36. 11 A ATOM 255 NZ LYS A 31 18. 68 19. 625 19. 12 1 37. 25 A ATOM 256 C LYS A 31 21. 255 21. 338 24. 801 1 28. 17 A ATOM 257 O LYS A 31 20. 456 22. 276 24. 791 1 25. 23 A ATOM 258 N ALA A 32 21. 842 20. 906 25. 92 1 25. 01 A ATOM 259 CA ALA A 32 21. 61 21. 578 27. 193 1 28. 03 A ATOM 260 CB ALA A 32 22. 205 20. 762 28. 343 1 26. 18 A ATOM 261 C ALA A 32 22. 27 22. 969 27. 119 1 29. 29 A ATOM 262 O ALA A 32 21. 698 23. 967 27. 562 1 31. 1 A ATOM 263 N TYR A 33 23. 473 23. 015 26. 551 1 30. 53 A ATOM 264 CA TYR A 33 24. 202 24. 266 26. 382 1 33. 15 A ATOM 265 CB TYR A 33 25. 571 23. 987 25. 73 1 34. 33 A ATOM 266 CG TYR A 33 26. 069 25. 044 24. 762 1 37. 21 A ATOM 267 CD1 TYR A 33 26. 589 26. 268 25. 211 1 38. 72 A ATOM 268 CE1 TYR A 33 27. 034 27. 244 24. 303 1 39. 36 A ATOM 269 CD2 TYR A 33 26. 006 24. 821 23. 39 1 37. 6 A ATOM 270 CE2 TYR A 33 26. 439 25. 785 22. 481 1 42. 09 A ATOM 271 CZ TYR A 33 26. 951 26. 992 22. 94 1 40. 61 A ATOM 272 OH TYR A 33 27. 36 27. 936 22. 02 1 44. 43 A ATOM 273 C TYR A 33 23. 366 25. 231 25. 536 1 33. 09 A ATOM 274 O TYR A 33 23. 101 26. 351 25. 966 1 35. 48 A ATOM 275 N GLU A 34 22. 923 24. 781 24. 359 1 32. 57 A ATOM 276 CA GLU A 34 22. 119 25. 628 23. 479 1 32. 08 A ATOM 277 CB GLU A 34 21. 747 24. 876 22. 194 1 31. 78 A ATOM 278 CG GLU A 34 22. 968 24. 412 21. 385 1 31. 17 A ATOM 279 CD GLU A 34 22. 614 23. 784 20. 046 1 31. 46 A ATOM 280 OE1 GLU A 34 21. 458 23. 346 19. 868 1 35. 25 A ATOM 281 OE2 GLU A 34 23. 5 23. 716 19. 167 1 32. 69 A ATOM 282 C GLU A 34 20. 861 26. 122 24. 194 1 32. 83 A ATOM 283 O GLU A 34 20. 497 27. 298 24. 099 1 32. 75 A ATOM 284 N LEU A 35 20. 2 25. 237 24. 928 1 30. 09 A ATOM 285 CA LEU A 35 19. 006 25. 652 25. 633 1 29. 65 A ATOM 286 CB LEU A 35 18. 32 24. 466 26. 315 1 29. 96 A ATOM 287 CG LEU A 35 17. 005 24. 847 27. 018 1 32. 53 A ATOM 288 CD1 LEU A 35 16. 037 25. 47 26. 002 1 32. 58 A ATOM 289 CD2 LEU A 35 16. 376 23. 623 27. 687 1 31. 99 A ATOM 290 C LEU A 35 19. 304 26. 74 26. 674 1 30. 99 A ATOM 291 O LEU A 35 18. 542 27. 704 26. 79 1 28. 44 A ATOM 292 N SER A 36 20. 411 26. 608 27. 411 1 30. 18 A ATOM 293 CA SER A 36 20. 746 27. 599 28. 439 1 31. 84 A ATOM 294 CB SER A 36 21. 935 27. 141 29. 298 1 30. 53 A ATOM 295 OG SER A 36 23. 134 27. 172 28. 561 1 27. 04 A ATOM 296 C SER A 36 21. 06 28. 973 27. 843 1 32. 82 A ATOM 297 O SER A 36 20. 705 29. 987 28. 422 1 32. 16 A ATOM 298 N VAL A 37 21. 735 28. 999 26. 699 1 33. 62 A ATOM 299 CA VAL A 37 22. 066 30. 264 26. 046 1 34. 97 A ATOM 300 CB VAL A 37 23. 21 30. 079 25. 037 1 36. 88 A ATOM 301 CG1 VAL A 37 23. 457 31. 379 24. 261 1 37. 64 A ATOM 302 CG2 VAL A 37 24. 463 29. 657 25. 767 1 37. 35 A ATOM 303 C VAL A 37 20. 863 30. 875 25. 322 1 35. 16 A ATOM 304 O VAL A 37 20. 547 32. 046 25. 517 1 37. 89 A ATOM 305 N LEU A 38 20. 191 30. 085 24. 491 1 34. 63 A ATOM 306 CA LEU A 38 19. 037 30. 576 23. 74 1 35. 3 A ATOM 307 CB LEU A 38 18. 465 29. 475 22. 845 1 32. 01 A ATOM 308 CG LEU A 38 19. 274 29. 018 21. 635 1 34. 11 A ATOM 309 CD1 LEU A 38 18. 729 27. 677 21. 151 1 32. 47 A ATOM 310 CD2 LEU A 38 19. 214 30. 077 20. 513 1 31. 93 A ATOM 311 C LEU A 38 17. 902 31. 118 24. 603 1 36. 86 A ATOM 312 O LEU A 38 17. 304 32. 153 24. 279 1 37. 34 A ATOM 313 N CYS A 39 17. 605 30. 435 25. 701 1 35. 07 A ATOM 314 CA CYS A 39 16. 49 30. 86 26. 533 1 37. 15 A ATOM 315 CB CYS A 39 15. 501 29. 697 26. 678 1 35. 64 A ATOM 316 SG CYS A 39 14. 994 29. 021 25. 067 1 39. 16 A ATOM 317 C CYS A 39 16. 849 31. 442 27. 898 1 37. 64 A ATOM 318 O CYS A 39 15. 962 31. 702 28. 722 1 37. 6 A ATOM 319 N ASP A 40 18. 141 31. 657 28. 12 1 36. 45 A ATOM 320 CA ASP A 40 18. 627 32. 241 29. 361 1 40. 17 A ATOM 321 CB ASP A 40 18. 207 33. 714 29. 422 1 45. 97 A ATOM 322 CG ASP A 40 18. 906 34. 482 30. 525 1 49. 07 A ATOM 323 OD1 ASP A 40 20. 124 34. 277 30. 732 1 53. 68 A ATOM 324 OD2 ASP A 40 18. 237 35. 309 31. 177 1 52. 63 A ATOM 325 C ASP A 40 18. 16 31. 502 30. 614 1 40. 02 A ATOM 326 O ASP A 40 17. 457 32. 053 31. 462 1 38. 99 A ATOM 327 N CYS A 41 18. 54 30. 234 30. 716 1 38. 94 A ATOM 328 CA CYS A 41 18. 186 29. 436 31. 878 1 38. 65 A ATOM 329 CB CYS A 41 17. 1 28. 391 31. 545 1 40. 35 A ATOM 330 SG CYS A 41 17. 282 27. 442 30. 016 1 43. 35 A ATOM 331 C CYS A 41 19. 444 28. 781 32. 414 1 37. 02 A ATOM 332 O CYS A 41 20. 482 28. 764 31. 746 1 35. 26 A ATOM 333 N GLU A 42 19. 355 28. 281 33. 639 1 36. 24 A ATOM 334 CA GLU A 42 20. 483 27. 624 34. 29 1 35. 94 A ATOM 335 CB GLU A 42 20. 641 28. 187 35. 701 1 38. 47 A ATOM 336 CG GLU A 42 22. 079 28. 224 36. 168 1 46. 64 A ATOM 337 CD GLU A 42 22. 287 29. 059 37. 432 1 49. 63 A ATOM 338 OE1 GLU A 42 23. 446 29. 139 37. 895 1 52. 27 A ATOM 339 OE2 GLU A 42 21. 305 29. 634 37. 957 1 50. 5 A ATOM 340 C GLU A 42 20. 207 26. 117 34. 317 1 32. 52 A ATOM 341 O GLU A 42 19. 166 25. 68 34. 793 1 29. 54 A ATOM 342 N ILE A 43 21. 155 25. 331 33. 818 1 31. 98 A ATOM 343 CA ILE A 43 20. 971 23. 89 33. 719 1 30. 11 A ATOM 344 CB ILE A 43 20. 82 23. 489 32. 218 1 29. 68 A ATOM 345 CG2 ILE A 43 20. 589 21. 994 32. 08 1 27. 32 A ATOM 346 CG1 ILE A 43 19. 693 24. 303 31. 577 1 28. 3 A ATOM 347 CD1 ILE A 43 19. 547 24. 091 30. 069 1 26. 28 A ATOM 348 C ILE A 43 22. 071 23. 023 34. 328 1 30. 11 A ATOM 349 O ILE A 43 23. 254 23. 339 34. 223 1 29. 56 A ATOM 350 N ALA A 44 21. 657 21. 937 34. 973 1 27. 69 A ATOM 351 CA ALA A 44 22. 574 20. 95 35. 536 1 28. 2 A ATOM 352 CB ALA A 44 22. 535 20. 955 37. 075 1 27. 76 A ATOM 353 C ALA A 44 22. 143 19. 579 35. 015 1 27. 93 A ATOM 354 O ALA A 44 20. 95 19. 269 34. 956 1 29. 3 A ATOM 355 N LEU A 45 23. 122 18. 762 34. 65 1 29. 77 A ATOM 356 CA LEU A 45 22. 874 17. 417 34. 149 1 28. 23 A ATOM 357 CB LEU A 45 23. 164 17. 373 32. 653 1 31. 29 A ATOM 358 CG LEU A 45 22. 883 16. 094 31. 884 1 35. 02 A ATOM 359 CD1 LEU A 45 21. 387 15. 758 31. 928 1 36. 34 A ATOM 360 CD2 LEU A 45 23. 348 16. 28 30. 449 1 36. 95 A ATOM 361 C LEU A 45 23. 787 16. 44 34. 888 1 28. 07 A ATOM 362 O LEU A 45 25. 015 16. 631 34. 928 1 27. 06 A ATOM 363 N ILE A 46 23. 183 15. 406 35. 472 1 22. 62 A ATOM 364 CA ILE A 46 23. 914 14. 375 36. 206 1 24. 47 A ATOM 365 CB ILE A 46 23. 493 14. 347 37. 69 1 25. 26 A ATOM 366 CG2 ILE A 46 24. 124 13. 155 38. 391 1 24. 8 A ATOM 367 CG1 ILE A 46 23. 87 15. 666 38. 373 1 29. 32 A ATOM 368 CD1 ILE A 46 23. 488 15. 731 39. 837 1 30. 17 A ATOM 369 C ILE A 46 23. 605 12. 999 35. 578 1 24. 29 A ATOM 370 O ILE A 46 22. 441 12. 598 35. 475 1 22. 89 A ATOM 371 N ILE A 47 24. 653 12. 298 35. 156 1 25. 87 A ATOM 372 CA ILE A 47 24. 529 10. 992 34. 523 1 27. 13 A ATOM 373 CB ILE A 47 24. 95 11. 069 33. 031 1 27. 78 A ATOM 374 CG2 ILE A 47 24. 663 9. 754 32. 332 1 29. 97 A ATOM 375 CG1 ILE A 47 24. 197 12. 193 32. 318 1 28. 23 A ATOM 376 CD1 ILE A 47 24. 628 12. 364 30. 883 1 27. 77 A ATOM 377 C ILE A 47 25. 416 9. 933 35. 191 1 27. 29 A ATOM 378 O ILE A 47 26. 61 10. 141 35. 386 1 27. 42 A ATOM 379 N PHE A 48 24. 822 8. 804 35. 542 1 27. 8 A ATOM 380 CA PHE A 48 25. 58 7. 702 36. 121 1 27. 35 A ATOM 381 CB PHE A 48 24. 955 7. 201 37. 439 1 28. 47 A ATOM 382 CG PHE A 48 25. 114 8. 145 38. 595 1 27. 49 A ATOM 383 CD1 PHE A 48 24. 033 8. 886 39. 064 1 22. 7 A ATOM 384 CD2 PHE A 48 26. 347 8. 294 39. 213 1 24. 68 A ATOM 385 CE1 PHE A 48 24. 182 9. 756 40. 139 1 25. 2 A ATOM 386 CE2 PHE A 48 26. 511 9. 163 40. 286 1 24. 52 A ATOM 387 CZ PHE A 48 25. 43 9. 896 40. 752 1 26. 66 A ATOM 388 C PHE A 48 25. 497 6. 581 35. 099 1 26. 99 A ATOM 389 O PHE A 48 24. 396 6. 165 34. 754 1 26. 61 A ATOM 390 N ASN A 49 26. 627 6. 087 34. 599 1 31. 36 A ATOM 391 CA ASN A 49 26. 531 4. 989 33. 64 1 34. 3 A ATOM 392 CB ASN A 49 27. 765 4. 918 32. 725 1 32. 87 A ATOM 393 CG ASN A 49 29. 002 4. 393 33. 426 1 35. 59 A ATOM 394 OD1 ASN A 49 28. 941 3. 892 34. 553 1 36. 76 A ATOM 395 ND2 ASN A 49 30. 144 4. 501 32. 751 1 30. 81 A ATOM 396 C ASN A 49 26. 317 3. 658 34. 383 1 35. 93 A ATOM 397 O ASN A 49 26. 221 3. 629 35. 618 1 34. 29 A ATOM 398 N SER A 50 26. 23 2. 567 33. 627 1 38. 4 A ATOM 399 CA SER A 50 25. 996 1. 239 34. 192 1 40. 17 A ATOM 400 CB SER A 50 25. 905 0. 212 33. 06 1 40. 55 A ATOM 401 OG SER A 50 27. 034 0. 337 32. 214 1 41. 09 A ATOM 402 C SER A 50 27. 053 0. 804 35. 203 1 39. 77 A ATOM 403 O SER A 50 26. 777-0. 024 36. 07 1 42. 57 A ATOM 404 N ALA A 51 28. 258 1. 354 35. 092 1 39. 66 A ATOM 405 CA ALA A 51 29. 338 1. 022 36. 015 1 40. 24 A ATOM 406 CB ALA A 51 30. 674 0. 981 35. 277 1 42. 44 A ATOM 407 C ALA A 51 29. 409 2. 033 37. 162 1 42. 49 A ATOM 408 O ALA A 51 30. 416 2. 116 37. 864 1 42. 64 A ATOM 409 N ASN A 52 28. 342 2. 811 37. 333 1 43. 88 A ATOM 410 CA ASN A 52 28. 264 3. 812 38. 391 1 42. 01 A ATOM 411 CB ASN A 52 28. 353 3. 13 39. 749 1 45. 15 A ATOM 412 CG ASN A 52 27. 082 3. 266 40. 546 1 47. 82 A ATOM 413 OD1 ASN A 52 25. 989 3. 408 39. 987 1 48. 7 A ATOM 414 ND2 ASN A 52 27. 212 3. 207 41. 869 1 53. 22 A ATOM 415 C ASN A 52 29. 302 4. 921 38. 314 1 40. 77 A ATOM 416 O ASN A 52 29. 647 5. 529 39. 329 1 40. 54 A ATOM 417 N ARG A 53 29. 816 5. 174 37. 119 1 38. 83 A ATOM 418 CA ARG A 53 30. 779 6. 247 36. 934 1 38. 85 A ATOM 419 CB ARG A 53 31. 659 5. 95 35. 715 1 45 A ATOM 420 CG ARG A 53 32. 897 6. 818 35. 599 1 48. 35 A ATOM 421 CD ARG A 53 33. 886 6. 245 34. 584 1 54. 4 A ATOM 422 NE ARG A 53 34. 52 5. 011 35. 054 1 58. 75 A ATOM 423 CZ ARG A 53 35. 499 4. 38 34. 414 1 60. 66 A ATOM 424 NH1 ARG A 53 35. 967 4. 862 33. 27 1 61. 99 A ATOM 425 NH2 ARG A 53 36. 011 3. 263 34. 92 1 62. 8 A ATOM 426 C ARG A 53 29. 953 7. 526 36. 73 1 35. 84 A ATOM 427 O ARG A 53 28. 923 7. 506 36. 05 1 32. 05 A ATOM 428 N LEU A 54 30. 397 8. 628 37. 332 1 36. 49 A ATOM 429 CA LEU A 54 29. 666 9. 905 37. 258 1 36. 12 A ATOM 430 CB LEU A 54 29. 718 10. 607 38. 628 1 32. 47 A ATOM 431 CG LEU A 54 29. 188 12. 043 38. 788 1 30. 7 A ATOM 432 CD1 LEU A 54 27. 694 12. 114 38. 495 1 28 A ATOM 433 CD2 LEU A 54 29. 461 12. 513 40. 214 1 31. 86 A ATOM 434 C LEU A 54 30. 105 10. 897 36. 179 1 36. 24 A ATOM 435 O LEU A 54 31. 261 11. 282 36. 115 1 37. 53 A ATOM 436 N PHE A 55 29. 164 11. 315 35. 337 1 36. 06 A ATOM 437 CA PHE A 55 29. 442 12. 305 34. 294 1 32. 94 A ATOM 438 CB PHE A 55 29. 184 11. 727 32. 898 1 32. 54 A ATOM 439 CG PHE A 55 29. 931 10. 455 32. 618 1 31. 78 A ATOM 440 CD1 PHE A 55 29. 565 9. 265 33. 24 1 35. 83 A ATOM 441 CD2 PHE A 55 31. 003 10. 443 31. 735 1 32. 71 A ATOM 442 CE1 PHE A 55 30. 262 8. 068 32. 981 1 37. 44 A ATOM 443 CE2 PHE A 55 31. 706 9. 266 31. 465 1 36. 04 A ATOM 444 CZ PHE A 55 31. 337 8. 071 32. 088 1 36. 31 A ATOM 445 C PHE A 55 28. 483 13. 471 34. 552 1 33. 5 A ATOM 446 O PHE A 55 27. 286 13. 258 34. 782 1 33. 01 A ATOM 447 N GLN A 56 28. 992 14. 7 34. 532 1 31. 34 A ATOM 448 CA GLN A 56 28. 135 15. 852 34. 781 1 29. 73 A ATOM 449 CB GLN A 56 28. 261 16. 308 36. 231 1 32. 3 A ATOM 450 CG GLN A 56 29. 631 16. 867 36. 598 1 32. 66 A ATOM 451 CD GLN A 56 29. 679 17. 335 38. 033 1 29. 25 A ATOM 452 OE1 GLN A 56 29. 22 16. 642 38. 927 1 32. 57 A ATOM 453 NE2 GLN A 56 30. 243 18. 514 38. 261 1 31. 97 A ATOM 454 C GLN A 56 28. 379 17. 049 33. 887 1 30. 82 A ATOM 455 O GLN A 56 29. 438 17. 211 33. 292 1 30. 88 A ATOM 456 N TYR A 57 27. 364 17. 896 33. 808 1 32. 61 A ATOM 457 CA TYR A 57 27. 4 19. 127 33. 029 1 31. 07 A ATOM 458 CB TYR A 57 26. 753 18. 934 31. 644 1 32. 15 A ATOM 459 CG TYR A 57 26. 206 20. 226 31. 068 1 32. 22 A ATOM 460 CD1 TYR A 57 27. 018 21. 095 30. 339 1 35. 7 A ATOM 461 CE1 TYR A 57 26. 54 22. 321 29. 874 1 35. 54 A ATOM 462 CD2 TYR A 57 24. 89 20. 616 31. 318 1 35. 57 A ATOM 463 CE2 TYR A 57 24. 399 21. 842 30. 86 1 35. 82 A ATOM 464 CZ TYR A 57 25. 231 22. 686 30. 14 1 36. 35 A ATOM 465 OH TYR A 57 24. 754 23. 902 29. 702 1 39. 7 A ATOM 466 C TYR A 57 26. 585 20. 164 33. 782 1 32. 5 A ATOM 467 O TYR A 57 25. 53 19. 842 34. 344 1 32. 28 A ATOM 468 N ALA A 58 27. 064 21. 403 33. 776 1 30. 04 A ATOM 469 CA ALA A 58 26. 339 22. 502 34. 408 1 30. 54 A ATOM 470 CB ALA A 58 26. 862 22. 76 35. 816 1 30 98 A ATOM 471 C ALA A 58 26. 603 23. 71 33. 501 1 31. 55 A ATOM 472 O ALA A 58 27. 749 23. 974 33. 128 1 29. 03 A ATOM 473 N SER A 59 25. 549 24. 42 33. 126 1 31. 63 A ATOM 474 CA SER A 59 25. 701 25. 566 32. 251 1 34. 65 A ATOM 475 CB SER A 59 24. 337 26. 207 31. 942 1 31. 65 A ATOM 476 OG SER A 59 23. 649 26. 585 33. 12 1 34. 29 A ATOM 477 C SER A 59 26. 641 26. 572 32. 902 1 37. 34 A ATOM 478 O SER A 59 27. 541 27. 087 32. 247 1 38. 31 A ATOM 479 N THR A 60 26. 456 26. 83 34. 196 1 41. 65 A ATOM 480 CA THR A 60 27. 32 27. 77 34. 909 1 43. 82 A ATOM 481 CB THR A 60 26. 505 28. 711 35. 816 1 43. 69 A ATOM 482 OG1 THR A 60 25. 665 27. 935 36. 675 1 48. 35 A ATOM 483 CG2 THR A 60 25. 648 29. 67 34. 98 1 47. 49 A ATOM 484 C THR A 60 28. 385 27. 053 35. 756 1 44. 35 A ATOM 485 O THR A 60 29. 532 26. 902 35. 335 1 43. 34 A ATOM 486 N ASP A 61 27. 985 26. 577 36. 928 1 44. 05 A ATOM 487 CA ASP A 61 28. 87 25. 896 37. 871 1 44. 25 A ATOM 488 CB ASP A 61 29. 517 26. 961 38. 773 1 49. 41 A ATOM 489 CG ASP A 61 30. 226 26. 381 39. 93 1 52. 74 A ATOM 490 OD1 ASP A 61 31. 177 25. 612 39. 698 1 57. 09 A ATOM 491 OD2 ASP A 61 29. 83 26. 699 41. 071 1 55. 66 A ATOM 492 C ASP A 61 27. 989 24. 932 38. 683 1 40. 97 A ATOM 493 O ASP A 61 26. 968 25. 347 39. 242 1 41. 25 A ATOM 494 N MET A 62 28. 375 23. 658 38. 766 1 38. 65 A ATOM 495 CA MET A 62 27. 546 22. 667 39. 477 1 36. 61 A ATOM 496 CB MET A 62 28. 213 21. 292 39. 456 1 34. 97 A ATOM 497 CG MET A 62 27. 328 20. 166 39. 993 1 33. 63 A ATOM 498 SD MET A 62 25. 76 19. 91 39. 01 1 34. 08 A ATOM 499 CE MET A 62 26. 475 19. 017 37. 627 1 27. 69 A ATOM 500 C MET A 62 27. 207 23. 065 40. 908 1 37. 09 A ATOM 501 O MET A 62 26. 046 22. 99 41. 332 1 35. 34 A ATOM 502 N ASP A 63 28. 215 23. 523 41. 641 1 40. 05 A ATOM 503 CA ASP A 63 28. 009 23. 955 43. 017 1 43. 57 A ATOM 504 CB ASP A 63 29. 297 24. 573 43. 561 1 47. 9 A ATOM 505 CG ASP A 63 29. 259 24. 751 45. 052 1 51. 62 A ATOM 506 OD1 ASP A 63 28. 248 25. 277 45. 546 1 52. 1 A ATOM 507 OD2 ASP A 63 30. 236 24. 375 45. 726 1 55. 94 A ATOM 508 C ASP A 63 26. 876 24. 979 43. 089 1 43. 26 A ATOM 509 O ASP A 63 25. 965 24. 87 43. 917 1 44. 63 A ATOM 510 N ARG A 64 26. 944 25. 959 42. 191 1 44. 84 A ATOM 511 CA ARG A 64 25. 961 27. 033 42. 082 1 44. 07 A ATOM 512 CB ARG A 64 26. 365 27. 957 40. 93 1 48. 4 A ATOM 513 CG ARG A 64 25. 482 29. 17 40. 723 1 54. 34 A ATOM 514 CD ARG A 64 26. 004 29. 993 39. 532 1 59. 36 A ATOM 515 NE ARG A 64 25. 271 31. 243 39. 356 1 63. 5 A ATOM 516 CZ ARG A 64 25. 273 32. 24 40. 236 1 66. 44 A ATOM 517 NH1 ARG A 64 25. 978 32. 135 41. 355 1 66. 32 A ATOM 518 NH2 ARG A 64 24. 555 33. 333 40. 007 1 66. 53 A ATOM 519 C ARG A 64 24. 552 26. 503 41. 835 1 40. 44 A ATOM 520 O ARG A 64 23. 615 26. 849 42. 539 1 40. 54 A ATOM 521 N VAL A 65 24. 406 25. 658 40. 821 1 39. 44 A ATOM 522 CA VAL A 65 23. 098 25. 111 40. 484 1 34. 13 A ATOM 523 CB VAL A 65 23. 161 24. 28 39. 179 1 33. 45 A ATOM 524 CG1 VAL A 65 21. 777 23. 714 38. 855 1 30. 16 A ATOM 525 CG2 VAL A 65 23. 668 25. 144 38. 04 1 31. 82 A ATOM 526 C VAL A 65 22. 51 24. 241 41. 596 1 32. 31 A ATOM 527 O VAL A 65 21. 336 24. 373 41. 933 1 31. 4 A ATOM 528 N LEU A 66 23. 302 23. 349 42. 18 1 32. 68 A ATOM 529 CA LEU A 66 22. 731 22. 502 43. 236 1 34. 29 A ATOM 530 CB LEU A 66 23. 654 21. 315 43. 539 1 33. 56 A ATOM 531 CG LEU A 66 23. 809 20. 367 42. 332 1 30. 72 A ATOM 532 CD1 LEU A 66 24. 579 19. 115 42. 726 1 28. 01 A ATOM 533 CD2 LEU A 66 22. 418 19. 991 41. 805 1 29. 87 A ATOM 534 C LEU A 66 22. 397 23. 283 44. 51 1 36. 01 A ATOM 535 O LEU A 66 21. 403 23. 004 45. 177 1 35. 02 A ATOM 536 N LEU A 67 23. 214 24. 28 44. 835 1 39. 81 A ATOM 537 CA LEU A 67 22. 956 25. 1 46. 016 1 41. 19 A ATOM 538 CB LEU A 67 24. 025 26. 173 46. 181 1 43. 41 A ATOM 539 CG LEU A 67 25. 171 25. 768 47. 1 1 47. 91 A ATOM 540 CD1 LEU A 67 26. 301 26. 798 47. 059 1 50. 64 A ATOM 541 CD2 LEU A 67 24. 613 25. 63 48. 517 1 48. 99 A ATOM 542 C LEU A 67 21. 613 25. 76 45. 846 1 41. 33 A ATOM 543 O LEU A 67 20. 788 25. 767 46. 754 1 42. 21 A ATOM 544 N LYS A 68 21. 395 26. 32 44. 664 1 42 A ATOM 545 CA LYS A 68 20. 126 26. 967 44. 377 1 41. 74 A ATOM 546 CB LYS A 68 20. 164 27. 58 42. 985 1 43. 33 A ATOM 547 CG LYS A 68 18. 923 28. 343 42. 626 1 43. 79 A ATOM 548 CD LYS A 68 19. 065 28. 85 41. 214 1 49. 49 A ATOM 549 CE LYS A 68 18. 576 30. 253 41. 098 1 50. 57 A ATOM 550 NZ LYS A 68 18. 827 30. 747 39. 728 1 57. 31 A ATOM 551 C LYS A 68 18. 965 25. 977 44. 473 1 40. 99 A ATOM 552 O LYS A 68 17. 873 26. 33 44. 932 1 41. 41 A ATOM 553 N TYR A 69 19. 191 24. 738 44. 026 1 40. 61 A ATOM 554 CA TYR A 69 18. 149 23. 714 44. 087 1 38. 68 A ATOM 555 CB TYR A 69 18. 658 22. 391 43. 511 1 39. 52 A ATOM 556 CG TYR A 69 17. 587 21. 321 43. 415 1 35. 51 A ATOM 557 CD1 TYR A 69 16. 7 21. 293 42. 338 1 34. 51 A ATOM 558 CE1 TYR A 69 15. 729 20. 313 42. 236 1 34. 42 A ATOM 559 CD2 TYR A 69 17. 468 20. 336 44. 395 1 34. 45 A ATOM 560 CE2 TYR A 69 16. 49 19. 338 44. 303 1 34. 05 A ATOM 561 CZ TYR A 69 15. 626 19. 337 43. 217 1 33. 55 A ATOM 562 OH TYR A 69 14. 648 18. 371 43. 101 1 35. 73 A ATOM 563 C TYR A 69 17. 686 23. 474 45. 526 1 37. 98 A ATOM 564 O TYR A 69 16. 499 23. 308 45. 783 1 35. 29 A ATOM 565 N THR A 70 18. 625 23. 45 46. 464 1 41. 3 A ATOM 566 CA THR A 70 18. 269 23. 225 47. 871 1 46. 1 A ATOM 567 CB THR A 70 19. 526 23. 148 48. 78 1 44. 97 A ATOM 568 OG1 THR A 70 20. 24 24. 39 48. 724 1 45. 25 A ATOM 569 CG2 THR A 70 20. 463 22. 052 48. 316 1 46. 71 A ATOM 570 C THR A 70 17. 339 24. 315 48. 421 1 48. 7 A ATOM 571 O THR A 70 16. 684 24. 12 49. 451 1 49. 32 A ATOM 572 N GLU A 71 17. 262 25. 445 47. 719 1 50. 62 A ATOM 573 CA GLU A 71 16. 41 26. 556 48. 146 1 54. 35 A ATOM 574 CB GLU A 71 16. 856 27. 853 47. 476 1 54. 29 A ATOM 575 CG GLU A 71 18. 206 28. 379 47. 923 1 56. 62 A ATOM 576 CD GLU A 71 18. 684 29. 541 47. 058 1 58. 91 A ATOM 577 OE1 GLU A 71 17. 831 30. 326 46. 589 1 59. 69 A ATOM 578 OE2 GLU A 71 19. 908 29. 679 46. 849 1 61. 88 A ATOM 579 C GLU A 71 14. 929 26. 333 47. 845 1 56. 3 A ATOM 580 O GLU A 71 14. 069 26. 939 48. 479 1 56. 22 A ATOM 581 N TYR A 72 14. 632 25. 463 46. 884 1 57. 64 A ATOM 582 CA TYR A 72 13. 251 25. 181 46. 511 1 60. 41 A ATOM 583 CB TYR A 72 13. 16 24. 865 45. 012 1 61. 46 A ATOM 584 CG TYR A 72 13. 527 26. 03 44. 122 1 62. 14 A ATOM 585 CD1 TYR A 72 14. 8 26. 594 44. 179 1 62. 33 A ATOM 586 CE1 TYR A 72 15. 143 27. 68 43. 386 1 62. 98 A ATOM 587 CD2 TYR A 72 12. 596 26. 583 43. 239 1 62. 11 A ATOM 588 CE2 TYR A 72 12. 925 27. 671 42. 436 1 61. 97 A ATOM 589 CZ TYR A 72 14. 202 28. 218 42. 515 1 63. 58 A ATOM 590 OH TYR A 72 14. 538 29. 311 41. 738 1 62. 38 A ATOM 591 C TYR A 72 12. 606 24. 049 47. 296 1 62. 69 A ATOM 592 O TYR A 72 13. 227 23. 016 47. 552 1 63. 52 A ATOM 593 N SER A 73 11. 348 24. 239 47. 671 1 65. 07 A ATOM 594 CA SER A 73 10. 624 23. 213 48. 415 1 66. 07 A ATOM 595 CB SER A 73 9. 473 23. 847 49. 21 1 66. 35 A ATOM 596 OG SER A 73 8. 679 24. 688 48. 39 1 68. 84 A ATOM 597 C SER A 73 10. 093 22. 168 47. 442 1 65. 57 A ATOM 598 O SER A 73 9. 972 20. 994 47. 794 1 65. 01 A ATOM 599 N GLU A 74 9. 78 22. 607 46. 224 1 65. 8 A ATOM 600 CA GLU A 74 9. 274 21. 71 45. 189 1 65. 95 A ATOM 601 CB GLU A 74 7. 811 21. 35 45. 45 1 69. 05 A ATOM 602 CG GLU A 74 6. 807 22. 416 45. 047 1 73. 53 A ATOM 603 CD GLU A 74 5. 374 21. 935 45. 195 1 77. 14 A ATOM 604 OE1 GLU A 74 4. 456 22. 628 44. 693 1 78. 97 A ATOM 605 OE2 GLU A 74 5. 17 20. 866 45. 817 1 78. 42 A ATOM 606 C GLU A 74 9. 408 22. 354 43. 812 1 63. 66 A ATOM 607 O GLU A 74 9. 461 23. 578 43. 692 1 62. 45 A ATOM 608 N PRO A 75 9. 47 21. 534 42. 749 1 61. 52 A ATOM 609 CD PRO A 75 9. 559 20. 061 42. 734 1 60. 15 A ATOM 610 CA PRO A 75 9. 601 22. 071 41. 395 1 59. 52 A ATOM 611 CB PRO A 75 10. 214 20. 903 40. 634 1 59. 12 A ATOM 612 CG PRO A 75 9. 516 19. 738 41. 246 1 59. 07 A ATOM 613 C PRO A 75 8. 264 22. 501 40. 803 1 58. 93 A ATOM 614 O PRO A 75 7. 201 22. 079 41. 257 1 58. 08 A ATOM 615 N HIS A 76 8. 322 23. 351 39. 787 1 59. 03 A ATOM 616 CA HIS A 76 7. 111 23. 794 39. 119 1 58. 64 A ATOM 617 CB HIS A 76 7. 374 25. 057 38. 307 1 61. 84 A ATOM 618 CG HIS A 76 6. 162 25. 567 37. 591 1 65. 72 A ATOM 619 CD2 HIS A 76 4. 934 25. 899 38. 049 1 66. 93 A ATOM 620 ND1 HIS A 76 6. 132 25. 757 36. 228 1 67. 55 A ATOM 621 CE1 HIS A 76 4. 933 26. 185 35. 873 1 68. 21 A ATOM 622 NE2 HIS A 76 4. 186 26. 279 36. 96 1 68. 47 A ATOM 623 C HIS A 76 6. 685 22. 665 38. 19 1 56. 97 A ATOM 6240 HIS A 76 5. 504 22. 49 37. 896 1 57. 26 A ATOM 625 N GLU A 77 7. 67 21. 9 37. 734 1 54. 35 A ATOM 626 CA GLU A 77 7. 432 20. 769 36. 853 1 51. 74 A ATOM 627 CB GLU A 77 7. 566 21. 194 35. 387 1 54. 39 A ATOM 628 CG GLU A 77 7. 424 20. 046 34. 4 1 55. 85 A ATOM 629 CD GLU A 77 7. 513 20. 5 32. 96 1 58. 53 A ATOM 630 OE1 GLU A 77 6. 626 21. 268 32. 524 1 61. 65 A ATOM 631 OE2 GLU A 77 8. 47 20. 093 32. 264 1 58. 97 A ATOM 632 C GLU A 77 8. 424 19. 646 37. 159 1 50. 23 A ATOM 633 O GLU A 77 9. 632 19. 876 37. 282 1 48. 2 A ATOM 634 N SER A 78 7. 9 18. 436 37. 294 1 47. 97 A ATOM 635 CA SER A 78 8. 716 17. 267 37. 575 1 47. 54 A ATOM 636 CB SER A 78 8. 52 16. 799 39. 017 1 47. 52 A ATOM 637 OG SER A 78 9. 349 15. 682 39. 295 1 45. 68 A ATOM 638 C SER A 78 8. 301 16. 161 36. 626 1 46. 14 A ATOM 639 O SER A 78 7. 14 15. 762 36. 6 1 46. 79 A ATOM 640 N ARG A 79 9. 261 15. 657 35. 862 1 44. 33 A ATOM 641 CA ARG A 79 8. 994 14. 617 34. 879 1 44. 23 A ATOM 642 CB ARG A 79 9. 218 15. 183 33. 473 1 47. 3 A ATOM 643 CG ARG A 79 8. 16 14. 821 32. 453 1 54. 12 A ATOM 644 CD ARG A 79 6. 873 15. 606 32. 666 1 58. 15 A ATOM 645 NE ARG A 79 6. 74 16. 73 31. 738 1 63. 04 A ATOM 646 CZ ARG A 79 6. 472 16. 615 30. 434 1 65. 59 A ATOM 647 NH1 ARG A 79 6. 3 15. 416 29. 879 1 65. 82 A ATOM 648 NH2 ARG A 79 6. 375 17. 704 29. 677 1 65. 11 A ATOM 649 C ARG A 79 9. 907 13. 414 35. 116 1 42. 36 A ATOM 650 O ARG A 79 10. 988 13. 528 35. 705 1 40. 4 A ATOM 651 N THR A 80 9. 448 12. 254 34. 664 1 40. 66 A ATOM 652 CA THR A 80 10. 181 11. 002 34. 797 1 41. 58 A ATOM 653 CB THR A 80 9. 659 10. 196 36. 002 1 42. 35 A ATOM 654 OG1 THR A 80 10. 541 9. 102 36. 282 1 48. 43 A ATOM 655 CG2 THR A 80 8. 291 9. 636 35. 705 1 38. 6 A ATOM 656 C THR A 80 9. 975 10. 219 33. 489 1 41. 86 A ATOM 657 O THR A 80 9. 118 10. 571 32. 682 1 39. 65 A ATOM 658 N ASN A 81 10. 754 9. 159 33. 285 1 43. 41 A ATOM 659 CA ASN A 81 10. 645 8. 334 32. 072 1 47. 59 A ATOM 660 CB ASN A 81 11. 554 7. 093 32. 198 1 47. 12 A ATOM 661 CG ASN A 81 13. 018 7. 414 31. 919 1 52. 83 A ATOM 662 OD1 ASN A 81 13. 41 8. 591 31. 814 1 20. 32 A ATOM 663 ND2 ASN A 81 13. 841 6. 371 31. 742 1 20. 32 A ATOM 664 C ASN A 81 9. 176 7. 945 31. 811 1 49. 45 A ATOM 665 O ASN A 81 8. 68 8. 065 30. 684 1 49. 79 A ATOM 666 N THR A 82 8. 48 7. 499 32. 856 1 52. 09 A ATOM 667 CA THR A 82 7. 075 7. 127 32. 736 1 53. 7 A ATOM 668 CB THR A 82 6. 447 6. 87 34. 122 1 54. 92 A ATOM 669 OG1 THR A 82 7. 172 5. 83 34. 792 1 54. 51 A ATOM 670 CG2 THR A 82 4. 98 6. 458 33. 974 1 54. 84 A ATOM 671 C THR A 82 6. 294 8. 256 32. 048 1 54. 12 A ATOM 672 O THR A 82 5. 603 8. 025 31. 059 1 54. 23 A ATOM 673 N ASP A 83 6. 426 9. 476 32. 564 1 54 A ATOM 674 CA ASP A 83 5. 726 10. 632 32. 001 1 54. 72 A ATOM 675 CB ASP A 83 6. 027 11. 885 32. 828 1 55. 63 A ATOM 676 CG ASP A 83 5. 68 11. 708 34. 292 1 57. 56 A ATOM 677 OD1 ASP A 83 4. 522 11. 332 34. 581 1 57. 39 A ATOM 678 OD2 ASP A 83 6. 56 11. 94 35. 152 1 57. 03 A ATOM 679 C ASP A 83 6. 062 10. 904 30. 538 1 53. 92 A ATOM 680 O ASP A 83 5. 18 11. 21 29. 733 1 52. 65 A ATOM 681 N ILE A 84 7. 34 10. 801 30. 196 1 54. 09 A ATOM 682 CA ILE A 84 7. 774 11. 043 28. 826 1 53. 89 A ATOM 683 CB ILE A 84 9. 306 11. 125 28. 747 1 53. 95 A ATOM 684 CG2 ILE A 84 9. 762 11. 193 27. 297 1 52. 88 A ATOM 685 CG1 ILE A 84 9. 781 12. 359 29. 512 1 54. 46 A ATOM 686 CD1 ILE A 84 11. 266 12. 428 29. 681 1 55. 96 A ATOM 687 C ILE A 84 7. 267 9. 944 27. 901 1 54. 54 A ATOM 688 O ILE A 84 6. 818 10. 211 26. 787 1 53. 14 A ATOM 689 N LEU A 85 7. 331 8. 707 28. 374 1 55. 48 A ATOM 690 CA LEU A 85 6. 875 7. 576 27. 586 1 58. 21 A ATOM 691 CB LEU A 85 7. 067 6. 287 28. 383 1 60. 25 A ATOM 692 CG LEU A 85 7. 938 5. 22 27. 721 1 62. 51 A ATOM 693 CD1 LEU A 85 8. 114 4. 032 28. 668 1 63. 75 A ATOM 694 CD2 LEU A 85 7. 291 4. 783 26. 416 1 63. 32 A ATOM 695 C LEU A 85 5. 405 7. 738 27. 216 1 59. 81 A ATOM 696 O LEU A 85 5. 015 7. 563 26. 059 1 57. 29 A ATOM 697 N GLU A 86 4. 598 8. 1 28. 21 1 62. 22 A ATOM 698 CA GLU A 86 3. 158 8. 275 28. 021 1 64. 96 A ATOM 699 CB GLU A 86 2. 458 8. 532 29. 378 1 67. 87 A ATOM 700 CG GLU A 86 2. 947 7. 634 30. 518 1 74. 58 A ATOM 701 CD GLU A 86 1. 828 6. 969 31. 301 1 78. 22 A ATOM 702 OE1 GLU A 86 1. 263 5. 975 30. 813 1 79. 72 A ATOM 703 OE2 GLU A 86 1. 5 7. 441 32. 408 1 80. 59 A ATOM 704 C GLU A 86 2. 869 9. 422 27. 04 1 64. 91 A ATOM 705 O GLU A 86 1. 975 9. 317 26. 197 1 64. 3 A ATOM 706 N THR A 87 3. 605 10. 525 27. 164 1 63. 92 A ATOM 707 CA THR A 87 3. 409 11. 658 26. 268 1 63. 6 A ATOM 708 CB THR A 87 4. 34 12. 84 26. 625 1 62. 69 A ATOM 709 OG1 THR A 87 4. 006 13. 34 27. 925 1 62. 54 A ATOM 710 CG2 THR A 87 4. 194 13. 968 25. 608 1 61. 32 A ATOM 711 C THR A 87 3. 71 11. 196 24. 842 1 63. 85 A ATOM 712 O THR A 87 3. 069 11. 635 23. 889 1 63. 69 A ATOM 713 N LEU A 88 4. 684 10. 3 24. 706 1 64. 11 A ATOM 714 CA LEU A 88 5. 066 9. 78 23. 401 1 65. 66 A ATOM 715 CB LEU A 88 6. 453 9. 126 23. 465 1 64. 26 A ATOM 716 CG LEU A 88 7. 654 10. 059 23. 672 1 63. 42 A ATOM 717 CD1 LEU A 88 8. 942 9. 262 23. 561 1 61. 47 A ATOM 718 CD2 LEU A 88 7. 631 11. 17 22. 628 1 62. 15 A ATOM 719 C LEU A 88 4. 033 8. 774 22. 907 1 67. 94 A ATOM 720 O LEU A 88 3. 607 8. 828 21. 749 1 67. 7 A ATOM 721 N LYS A 89 3. 637 7. 857 23. 789 1 69. 72 A ATOM 722 CA LYS A 89 2. 634 6. 849 23. 45 1 72. 75 A ATOM 723 CB LYS A 89 2. 3 5. 981 24. 671 1 72. 46 A ATOM 724 CG LYS A 89 3. 435 5. 092 25. 182 1 73. 03 A ATOM 725 CD LYS A 89 3. 731 3. 954 24. 213 1 74. 3 A ATOM 726 CE LYS A 89 4. 738 2. 962 24. 789 1 74. 05 A ATOM 727 NZ LYS A 89 4. 232 2. 291 26. 02 1 73. 64 A ATOM 728 C LYS A 89 1. 366 7. 574 22. 995 1 74. 73 A ATOM 729 O LYS A 89 0. 729 7. 192 22. 017 1 74. 87 A ATOM 730 N ARG A 90 1. 023 8. 636 23. 716 1 76. 82 A ATOM 731 CA ARG A 90-0. 158 9. 435 23. 428 1 79. 26 A ATOM 732 CB ARG A 90-0. 275 10. 572 24. 448 1 79. 93 A ATOM 733 CG ARG A 90-1. 673 10. 738 25. 03 1 81. 5 A ATOM 734 CD ARG A 90-1. 721 11. 792 26. 132 1 82. 55 A ATOM 735 NE ARG A 90-3. 093 12. 039 26. 574 1 84. 14 A ATOM 736 CZ ARG A 90-3. 444 12. 939 27. 491 1 85. 4 A ATOM 737 NH1 ARG A 90-2. 523 13. 692 28. 079 1 85. 74 A ATOM 738 NH2 ARG A 90-4. 724 13. 096 27. 813 1 84. 24 A ATOM 739 C ARG A 90-0. 134 10. 009 22. 011 1 81. 27 A ATOM 740 O ARG A 90-1. 069 9. 801 21. 235 1 82. 02 A ATOM 741 N ARG A 91 0. 934 10. 726 21. 673 1 82. 46 A ATOM 742 CA ARG A 91 1. 061 11. 326 20. 348 1 83. 84 A ATOM 743 CB ARG A 91 2. 355 12. 147 20. 268 1 83. 15 A ATOM 744 CG ARG A 91 2. 387 13. 361 21. 201 1 82. 25 A ATOM 745 CD ARG A 91 3. 741 14. 071 21. 154 1 81. 34 A ATOM 746 NE ARG A 91 3. 796 15. 237 22. 036 1 80 A ATOM 747 CZ ARG A 91 4. 905 15. 924 22. 302 1 79. 14 A ATOM 748 NH1 ARG A 91 6. 06 15. 565 21. 756 1 78. 6 A ATOM 749 NH2 ARG A 91 4. 862 16. 972 23. 116 1 77. 56 A ATOM 750 C ARG A 91 1. 034 10. 274 19. 233 1 85. 27 A ATOM 751 O ARG A 91 0. 756 10. 588 18. 072 1 84. 9 A ATOM 752 N GLY A 92 1. 314 9. 025 19. 594 1 86. 72 A ATOM 753 CA GLY A 92 1. 315 7. 951 18. 616 1 89. 2 A ATOM 754 C GLY A 92-0. 036 7. 73 17. 96 1 90. 8 A ATOM 755 O GLY A 92-0. 11 7. 318 16. 803 1 90. 93 A ATOM 756 N ILE A 93-1. 107 7. 996 18. 702 1 92. 41 A ATOM 757 CA ILE A 93-2. 463 7. 829 18. 184 1 94. 02 A ATOM 758 CB ILE A 93-3. 492 7. 605 19. 336 1 93. 78 A ATOM 759 CG2 ILE A 93-4. 913 7. 608 18. 778 1 93. 53 A ATOM 760 CG1 ILE A 93-3. 222 6. 273 20. 044 1 93. 35 A ATOM 761 CD1 ILE A 93-1. 955 6. 238 20. 866 1 93. 14 A ATOM 762 C ILE A 93-2. 871 9. 074 17. 393 1 95. 12 A ATOM 763 O ILE A 93-2. 812 9. 092 16. 16 1 95. 34 A ATOM 764 N GLY A 94-3. 279 10. 111 18. 119 1 95. 79 A ATOM 765 CA GLY A 94-3. 697 11. 352 17. 495 1 96. 27 A ATOM 766 C GLY A 94-4. 486 12. 206 18. 469 1 96. 73 A ATOM 767 O GLY A 94-5. 62 12. 612 18. 132 1 96. 78 A ATOM 768 OXT GLY A 94-3. 969 12. 472 19. 575 1 97. 3 A ATOM 769 C GLY B 2 14. 197 25. 282 9. 776 1 49. 3 B ATOM 770 O GLY B 2 15. 178 25. 045 9. 061 1 49. 57 B ATOM 771 N GLY B 2 15. 127 23. 721 11. 412 1 46. 51 B ATOM 772 CA GLY B 2 14. 05 24. 653 11. 141 1 48. 58 B ATOM 773 N ARG B 3 13. 213 26. 089 9. 403 1 51. 21 B ATOM 774 CA ARG B 3 13. 251 26. 747 8. 107 1 53. 6 B ATOM 775 CB ARG B 3 12. 088 27. 73 7. 963 1 55. 46 B ATOM 776 CG ARG B 3 10. 709 27. 122 8. 141 1 60. 47 B ATOM 777 CD ARG B 3 10. 493 25. 906 7. 247 1 65. 18 B ATOM 778 NE ARG B 3 9. 078 25. 544 7. 165 1 70. 11 B ATOM 779 CZ ARG B 3 8. 16 26. 266 6. 529 1 72. 92 B ATOM 780 NH1 ARG B 3 8. 507 27. 39 5. 913 1 74. 68 B ATOM 781 NH2 ARG B 3 6. 894 25. 871 6. 511 1 74. 21 B ATOM 782 C ARG B 3 14. 564 27. 494 7. 943 1 52. 4 B ATOM 783 O ARG B 3 15. 111 27. 567 6. 847 1 51. 83 B ATOM 784 N LYS B 4 15. 076 28. 031 9. 044 1 51. 39 B ATOM 785 CA LYS B 4 16. 313 28. 789 9. 001 1 50. 9 B ATOM 786 CB LYS B 4 15. 973 30. 286 9. 047 1 51. 26 B ATOM 787 CG LYS B 4 17. 154 31. 237 8. 993 1 51. 93 B ATOM 788 CD LYS B 4 16. 654 32. 672 9. 094 1 53. 4 B ATOM 789 CE LYS B 4 17. 79 33. 664 9. 22 1 51. 97 B ATOM 790 NZ LYS B 4 17. 27 35. 018 9. 547 1 53. 07 B ATOM 791 C LYS B 4 17. 224 28. 419 10. 164 1 51. 29 B ATOM 792 O LYS B 4 16. 755 28. 05 11. 239 1 52. 59 B ATOM 793 N LYS B 5 18. 529 28. 514 9. 942 1 49. 7 B ATOM 794 CA LYS B 5 19. 495 28. 219 10. 984 1 47. 96 B ATOM 795 CB LYS B 5 20. 869 27. 969 10. 379 1 46. 45 B ATOM 796 CG LYS B 5 21. 974 27. 909 11. 41 1 48. 36 B ATOM 797 CD LYS B 5 23. 336 27. 671 10. 768 1 50. 24 B ATOM 798 CE LYS B 5 24. 442 27. 706 11. 814 1 51. 43 B ATOM 799 NZ LYS B 5 25. 798 27. 524 11. 226 1 51. 98 B ATOM 800 C LYS B 5 19. 578 29. 401 11. 939 1 48. 39 B ATOM 801 O LYS B 5 19. 706 30. 553 11. 51 1 49. 99 B ATOM 802 N ILE B 6 19. 5 29. 12 13. 235 1 47. 33 B ATOM 803 CA ILE B 6 19. 585 30. 178 14. 229 1 47. 21 B ATOM 804 CB ILE B 6 18. 469 30. 079 15. 277 1 47. 37 B ATOM 805 CG2 ILE B 6 17. 129 30. 24 14. 609 1 48. 02 B ATOM 806 CG1 ILE B 6 18. 563 28. 752 16. 028 1 47. 56 B ATOM 807 CD1 ILE B 6 17. 63 28. 675 17. 214 1 49. 83 B ATOM 808 C ILE B 6 20. 918 30. 136 14. 954 1 47. 21 B ATOM 809 O ILE B 6 21. 455 29. 062 15. 233 1 47. 25 B ATOM 810 N GLN B 7 21. 458 31. 314 15. 238 1 46. 37 B ATOM 811 CA GLN B 7 22. 725 31. 417 15. 948 1 44. 92 B ATOM 812 CB GLN B 7 23. 304 32. 833 15. 828 1 46. 73 B ATOM 813 CG GLN B 7 23. 556 33. 281 14. 394 1 51. 43 B ATOM 814 CD GLN B 7 24. 411 32. 287 13. 619 1 53. 77 B ATOM 815 OE1 GLN B 7 25. 575 32. 05 13. 961 1 55. 59 B ATOM 816 NE2 GLN B 7 23. 834 31. 695 12. 575 1 52. 35 B ATOM 817 C GLN B 7 22. 435 31. 101 17. 405 1 42. 77 B ATOM 818 O GLN B 7 21. 3 31. 27 17. 873 1 42. 34 B ATOM 819 N ILE B 8 23. 447 30. 63 18. 12 1 39. 66 B ATOM 820 CA ILE B 8 23. 25 30. 302 19. 518 1 38. 87 B ATOM 821 CB ILE B 8 24. 133 29. 108 19. 952 1 38. 95 B ATOM 822 CG2 ILE B 8 23. 838 28. 748 21. 409 1 36. 12 B ATOM 823 CG1 ILE B 8 23. 872 27. 9 19. 042 1 35. 85 B ATOM 824 CD1 ILE B 8 22. 419 27. 475 18. 973 1 39. 21 B ATOM 825 C ILE B 8 23. 552 31. 504 20. 4 1 37. 52 B ATOM 826 O ILE B 8 24. 682 31. 694 20. 845 1 35. 8 B ATOM 827 N SER B 9 22. 529 32. 318 20. 625 1 37. 48 B ATOM 828 CA SER B 9 22. 621 33. 513 21. 462 1 40. 24 B ATOM 829 CB SER B 9 23. 184 34. 702 20. 674 1 42. 79 B ATOM 830 OG SER B 9 22. 54 34. 833 19. 423 1 46. 22 B ATOM 831 C SER B 9 21. 215 33. 804 21. 957 1 40. 02 B ATOM 832 O SER B 9 20. 234 33. 388 21. 331 1 42. 1 B ATOM 833 N ARG B 10 21. 115 34. 5 23. 08 1 38. 46 B ATOM 834 CA ARG B 10 19. 824 34. 803 23. 668 1 40. 67 B ATOM 835 CB ARG B 10 19. 98 35. 886 24. 748 1 42 B ATOM 836 CG ARG B 10 18. 701 36. 176 25. 524 1 42. 82 B ATOM 837 CD ARG B 10 18. 99 36. 914 26. 834 1 47. 1 B ATOM 838 NE ARG B 10 17. 759 37. 308 27. 518 1 49. 85 B ATOM 839 CZ ARG B 10 16. 96 38. 298 27. 117 1 51. 6 B ATOM 840 NH1 ARG B 10 17. 262 39. 005 26. 037 1 50. 61 B ATOM 841 NH2 ARG B 10 15. 854 38. 581 27. 793 1 53. 5 B ATOM 842 C ARG B 10 18. 789 35. 227 22. 639 1 40. 86 B ATOM 843 O ARG B 10 19. 046 36. 08 21. 795 1 41. 65 B ATOM 844 N ILE B 11 17. 619 34. 601 22. 703 1 40. 8B ATOM 845 CA ILE B 11 16. 536 34. 936 21. 791 1 40. 75 B ATOM 846 CB ILE B 11 15. 463 33. 819 21. 764 1 37. 26 B ATOM 847 CG2 ILE B 11 14. 216 34. 285 20. 999 1 35. 66 B ATOM 848 CG1 ILE B 11 16. 071 32. 55 21. 146 1 36. 55 B ATOM 849 CD1 ILE B 11 15. 144 31. 34 21. 14 1 30. 36 B ATOM 850 C ILE B 11 15. 941 36. 25 22. 313 1 42. 97 B ATOM 851 O ILE B 11 15. 515 36. 337 23. 465 1 42. 36 B ATOM 852 N LEU B 12 15. 931 37. 269 21. 46 1 44. 78 B ATOM 853 CA LEU B 12 15. 433 38. 589 21. 833 1 47. 57 B ATOM 854 CB LEU B 12 15. 848 39. 62 20. 773 1 47. 86 B ATOM 855 CG LEU B 12 17. 365 39. 721 20. 557 1 49. 76 B ATOM 856 CD1 LEU B 12 17. 696 40. 747 19. 458 1 50. 34 B ATOM 857 CD2 LEU B 12 18. 033 40. 102 21. 864 1 49. 21 B ATOM 858 C LEU B 12 13. 933 38. 672 22. 079 1 47. 66 B ATOM 859 O LEU B 12 13. 501 39. 246 23. 083 1 47. 13 B ATOM 860 N ASP B 13 13. 137 38. 098 21. 182 1 48. 68 B ATOM 861 CA ASP B 13 11. 686 38. 148 21. 337 1 50. 47 B ATOM 862 CB ASP B 13 11. 003 37. 741 20. 036 1 50. 77 B ATOM 863 CG ASP B 13 9. 496 37. 789 20. 143 1 54. 51 B ATOM 864 OD1 ASP B 13 8. 967 38. 875 20. 456 1 55. 84 B ATOM 865 OD2 ASP B 13 8. 838 36. 748 19. 921 1 55. 78 B ATOM 866 C ASP B 13 11. 179 37. 265 22. 477 1 51. 91 B ATOM 867 O ASP B 13 11. 352 36. 047 22. 453 1 51. 3 B ATOM 868 N GLN B 14 10. 54 37. 882 23. 467 1 52. 45 B ATOM 869 CA GLN B 14 10. 013 37. 152 24. 618 1 52. 79 B ATOM 870 CB GLN B 14 9. 279 38. 11 25. 561 1 54. 86 B ATOM 871 CG GLN B 14 8. 639 37. 431 26. 76 1 59. 36 B ATOM 872 CD GLN B 14 7. 976 38. 417 27. 712 1 62. 77 B ATOM 873 OE1 GLN B 14 7. 219 38. 022 28. 605 1 62. 82 B ATOM 874 NE2 GLN B 14 8. 262 39. 706 27. 529 1 64. 34 B ATOM 875 C GLN B 14 9. 09 35. 988 24. 265 1 51. 9 B ATOM 876 O GLN B 14 9. 176 34. 923 24. 871 1 50. 36 B ATOM 877 N ARG B 15 8. 204 36. 187 23. 296 1 52. 36 B ATOM 878 CA ARG B 15 7. 267 35. 135 22. 893 1 53. 02 B ATOM 879 CB ARG B 15 6. 256 35. 675 21. 875 1 56. 79 B ATOM 880 CG ARG B 15 5. 438 36. 862 22. 359 1 63. 76 B ATOM 881 CD ARG B 15 4. 788 37. 6 21. 188 1 69. 19 B ATOM 882 NE ARG B 15 4. 19 38. 87 21. 598 1 75. 38 B ATOM 883 CZ ARG B 15 3. 159 38. 986 22. 436 1 78. 15 B ATOM 884 NH1 ARG B 15 2. 593 37. 902 22. 962 1 78. 64 B ATOM 885 NH2 ARG B 15 2. 7 40. 193 22. 762 1 78. 56 B ATOM 886 C ARG B 15 7. 988 33. 942 22. 274 1 50. 93 B ATOM 887 O ARG B 15 7. 702 32. 794 22. 603 1 49. 74 B ATOM 888 N ASN B 16 8. 919 34. 223 21. 37 1 49. 57 B ATOM 889 CA ASN B 16 9. 657 33. 17 20. 696 1 48. 79 B ATOM 890 CB ASN B 16 10. 421 33. 741 19. 495 1 49. 09 B ATOM 891 CG ASN B 16 9. 487 34. 259 18. 396 1 51. 06 B ATOM 892 OD1 ASN B 16 8. 316 33. 872 18. 328 1 50. 73 B ATOM 893 ND2 ASN B 16 10. 009 35. 119 17. 52 1 49. 57 B ATOM 894 C ASN B 16 10. 606 32. 46 21. 651 1 47. 86 B ATOM 895 O ASN B 16 10. 83 31. 26 21. 524 1 47. 22 B ATOM 896 N ARG B 17 11. 146 33. 201 22. 615 1 46. 09 B ATOM 897 CA ARG B 17 12. 061 32. 623 23. 59 1 46. 06 B ATOM 898 CB ARG B 17 12. 656 33. 722 24. 473 1 45. 81 B ATOM 899 CG ARG B 17 13. 788 33. 273 25. 39 1 48. 39 B ATOM 900 CD ARG B 17 14. 413 34. 472 26. 103 1 48. 44 B ATOM 901 NE ARG B 17 13. 426 35. 144 26. 935 1 50. 99 B ATOM 902 CZ ARG B 17 13. 264 36. 462 27. 001 1 52. 27 B ATOM 903 NH1 ARG B 17 14. 028 37. 266 26. 277 1 53. 92 B ATOM 904 NH2 ARG B 17 12. 336 36. 977 27. 798 1 53. 28 B ATOM 905 C ARG B 17 11. 308 31. 601 24. 443 1 44. 42 B ATOM 906 O ARG B 17 11. 8 30. 505 24. 686 1 44. 53 B ATOM 907 N GLN B 18 10. 103 31. 96 24. 87 1 42. 73 B ATOM 908 CA GLN B 18 9. 28 31. 078 25. 687 1 44. 5 B ATOM 909 CB GLN B 18 8. 093 31. 848 26. 267 1 45. 59 B ATOM 910 CG GLN B 18 7. 034 30. 978 26. 943 1 51. 9 B ATOM 911 CD GLN B 18 7. 566 30. 163 28. 125 1 55. 91 B ATOM 912 OE1 GLN B 18 8. 317 30. 669 28. 97 1 57. 01 B ATOM 913 NE2 GLN B 18 7. 156 28. 899 28. 199 1 56. 92 B ATOM 914 C GLN B 18 8. 781 29. 853 24. 925 1 43. 83 B ATOM 915 O GLN B 18 8. 633 28. 78 25. 509 1 43 B ATOM 916 N VAL B 19 8. 52 30. 011 23. 629 1 41. 46 B ATOM 917 CA VAL B 19 8. 062 28. 889 22. 811 1 42. 61 B ATOM 918 CB VAL B 19 7. 492 29. 369 21. 455 1 44. 33 B ATOM 919 CG1 VAL B 19 7. 421 28. 207 20. 463 1 44. 64 B ATOM 920 CG2 VAL B 19 6. 1 29. 957 21. 668 1 45. 02 B ATOM 921 C VAL B 19 9. 223 27. 922 22. 561 1 40. 87 B ATOM 922 O VAL B 19 9. 067 26. 715 22. 676 1 40. 37 B ATOM 923 N THR B 20 10. 387 28. 459 22. 219 1 40. 45 B ATOM 924 CA THR B 20 11. 556 27. 629 21. 981 1 39. 03 B ATOM 925 CB THR B 20 12. 758 28. 477 21. 544 1 39. 37 B ATOM 926 OG1 THR B 20 12. 463 29. 118 20. 299 1 41. 82 B ATOM 927 CG2 THR B 20 13. 995 27. 606 21. 389 1 37. 53 B ATOM 928 C THR B 20 11. 914 26. 905 23. 281 1 38. 59 B ATOM 929 O THR B 20 12. 324 25. 756 23. 257 1 39. 82 B ATOM 930 N PHE B 21 11. 747 27. 579 24. 415 1 37. 41 B ATOM 931 CA PHE B 21 12. 061 26. 974 25. 71 1 36. 24 B ATOM 932 CB PHE B 21 11. 788 27. 946 26. 855 1 32. 41 B ATOM 933 CG PHE B 21 12. 023 27. 351 28. 209 1 33. 01 B ATOM 934 CD1 PHE B 21 13. 318 27. 114 28. 663 1 33. 04 B ATOM 935 CD2 PHE B 21 10. 951 27. 026 29. 041 1 34. 82 B ATOM 936 CE1 PHE B 21 13. 548 26. 564 29. 919 1 34. 33 B ATOM 937 CE2 PHE B 21 11. 175 26. 469 30. 311 1 35. 8 B ATOM 938 CZ PHE B 21 12. 478 26. 24 30. 75 1 35. 24 B ATOM 939 C PHE B 21 11. 235 25. 722 25. 958 1 36. 63 B ATOM 940 O PHE B 21 11. 769 24. 667 26. 315 1 33. 67 B ATOM 941 N THR B 22 9. 923 25. 86 25. 794 1 36. 28 B ATOM 942 CA THR B 22 9. 013 24. 757 26. 016 1 38. 05 B ATOM 943 CB THR B 22 7. 548 25. 199 25. 855 1 38. 04 B ATOM 944 OG1 THR B 22 7. 2 26. 068 26. 941 1 43. 43 B ATOM 945 CG2 THR B 22 6. 617 23. 994 25. 877 1 40. 22 B ATOM 946 C THR B 22 9. 279 23. 571 25. 114 1 37. 09 B ATOM 947 O THR B 22 9. 266 22. 438 25. 577 1 37. 02 B ATOM 948 N LYS B 23 9. 54 23. 812 23. 835 1 38. 06 B ATOM 949 CA LYS B 23 9. 77 22. 682 22. 953 1 38. 59 B ATOM 950 CB LYS B 23 9. 443 23. 037 21. 499 1 42. 49 B ATOM 951 CG LYS B 23 10. 292 24. 121 20. 884 1 49. 86 B ATOM 952 CD LYS B 23 10. 012 24. 236 19. 382 1 54. 1 B ATOM 953 CE LYS B 23 8. 537 24. 489 19. 083 1 55. 9 B ATOM 954 NZ LYS B 23 8. 302 24. 723 17. 624 1 57. 81 B ATOM 955 C LYS B 23 11. 167 22. 082 23. 071 1 36. 75 B ATOM 956 O LYS B 23 11. 311 20. 864 23. 049 1 36. 46 B ATOM 957 N ARG B 24 12. 194 22. 91 23. 217 1 33. 45 B ATOM 958 CA ARG B 24 13. 537 22. 363 23. 359 1 31. 29 B ATOM 959 CB ARG B 24 14. 604 23. 446 23. 191 1 29. 99 B ATOM 960 CG ARG B 24 15. 064 23. 607 21. 733 1 30. 49 B ATOM 961 CD ARG B 24 16. 037 24. 75 21. 569 1 24. 69 B ATOM 962 NE ARG B 24 16. 509 24. 91 20. 199 1 28. 13 B ATOM 963 CZ ARG B 24 17. 708 24. 539 19. 768 1 27. 67 B ATOM 964 NH1 ARG B 24 18. 567 23. 968 20. 6 1 30. 77 B ATOM 965 NH2 ARG B 24 18. 074 24. 78 18. 516 1 27. 95 B ATOM 966 C ARG B 24 13. 705 21. 657 24. 703 1 31. 61 B ATOM 967 O ARG B 24 14. 484 20. 713 24. 81 1 31. 12 B ATOM 968 N LYS B 25 12. 97 22. 11 25. 715 1 28. 69 B ATOM 969 CA LYS B 25 13. 019 21. 487 27. 028 1 31. 5 B ATOM 970 CB LYS B 25 12. 165 22. 254 28. 045 1 31. 21 B ATOM 971 CG LYS B 25 12. 016 21. 52 29. 387 1 35. 33 B ATOM 972 CD LYS B 25 11. 555 22. 447 30. 523 1 38. 3 B ATOM 973 CE LYS B 25 10. 152 23. 033 30. 306 1 40. 93 B ATOM 974 NZ LYS B 25 9. 085 21. 997 30. 365 1 42. 05 B ATOM 975 C LYS B 25 12. 503 20. 05 26. 911 1 31. 88 B ATOM 976 O LYS B 25 13. 091 19. 131 27. 475 1 32. 22 B ATOM 977 N PHE B 26 11. 397 19. 858 26. 196 1 31. 45 B ATOM 978 CA PHE B 26 10. 862 18. 515 26. 02 1 29. 48 B ATOM 979 CB PHE B 26 9. 51 18. 544 25. 309 1 32. 38 B ATOM 980 CG PHE B 26 8. 933 17. 183 25. 102 1 34. 52 B ATOM 981 CD1 PHE B 26 8. 371 16. 487 26. 167 1 34. 51 B ATOM 982 CD2 PHE B 26 9. 032 16. 556 23. 867 1 35. 77 B ATOM 983 CE1 PHE B 26 7. 925 15. 176 26. 009 1 36. 88 B ATOM 984 CE2 PHE B 26 8. 591 15. 251 23. 695 1 39. 11 B ATOM 985 CZ PHE B 26 8. 036 14. 557 24. 77 1 37. 88 B ATOM 986 C PHE B 26 11. 849 17. 695 25. 189 1 28. 05 B ATOM 987 O PHE B 26 12. 088 16. 523 25. 478 1 26. 3 B ATOM 988 N GLY B 27 12. 411 18. 322 24. 157 1 25. 52 B ATOM 989 CA GLY B 27 13. 377 17. 657 23. 299 1 23. 37 B ATOM 990 C GLY B 27 14. 556 17. 12 24. 092 1 27. 61 B ATOM 991 O GLY B 27 15. 07 16. 017 23. 832 1 25. 46 B ATOM 992 N LEU B 28 14. 989 17. 905 25. 075 1 26. 73 B ATOM 993 CA LEU B 28 16. 12 17. 531 25. 911 1 26. 99 B ATOM 994 CB LEU B 28 16. 585 18. 738 26. 74 1 27. 81 B ATOM 995 CG LEU B 28 17. 852 18. 601 27. 59 1 26. 48 B ATOM 996 CD1 LEU B 28 19. 049 18. 342 26. 691 1 27. 64 B ATOM 997 CD2 LEU B 28 18. 075 19. 893 28. 378 1 24. 88 B ATOM 998 C LEU B 28 15. 73 16. 37 26. 831 1 27. 5 B ATOM 999 O LEU B 28 16. 48 15. 411 26. 989 1 27. 15 B ATOM 1000 N MET B 29 14. 555 16. 455 27. 441 1 27. 14 B ATOM 1001 CA MET B 29 14. 134 15. 383 28. 317 1 27. 02 B ATOM 1002 CB MET B 29 12. 833 15. 754 29. 031 1 27. 2 B ATOM 1003 CG MET B 29 12. 985 16. 933 29. 993 1 28. 94 B ATOM 1004 SD MET B 29 11. 552 17. 203 31. 022 1 34. 62 B ATOM 1005 CE MET B 29 10. 344 17. 867 29. 754 1 33. 39 B ATOM 1006 C MET B 29 13. 954 14. 101 27. 485 1 29. 33 B ATOM 1007 O MET B 29 14. 374 13. 02 27. 907 1 26. 48 B ATOM 1008 N LYS B 30 13. 345 14. 227 26. 305 1 28. 24 B ATOM 1009 CA LYS B 30 13. 129 13. 069 25. 454 1 28. 59 B ATOM 1010 CB LYS B 30 12. 452 13. 46 24. 134 1 29. 22 B ATOM 1011 CG LYS B 30 12. 345 12. 267 23. 176 1 33. 02 B ATOM 1012 CD LYS B 30 11. 529 12. 57 21. 934 1 33. 87 B ATOM 1013 CE LYS B 30 11. 522 11. 356 21. 011 1 34. 53 B ATOM 1014 NZ LYS B 30 10. 816 11. 677 19. 751 1 39. 26 B ATOM 1015 C LYS B 30 14. 46 12. 388 25. 171 1 27. 18 B ATOM 1016 O LYS B 30 14. 577 11. 163 25. 274 1 26. 32 B ATOM 1017 N LYS B 31 15. 474 13. 177 24. 831 1 24. 31 B ATOM 1018 CA LYS B 31 16. 782 12. 595 24. 568 1 25. 9 B ATOM 1019 CB LYS B 31 17. 709 13. 613 23. 89 1 25. 25 B ATOM 1020 CG LYS B 31 17. 437 13. 714 22. 381 1 28. 45 B ATOM 1021 CD LYS B 31 18. 598 14. 369 21. 636 1 30. 13 B ATOM 1022 CE LYS B 31 18. 395 14. 333 20. 114 1 31. 48 B ATOM 1023 NZ LYS B 31 18. 485 12. 955 19. 523 1 32. 63 B ATOM 1024 C LYS B 31 17. 44 12. 009 25. 813 1 26. 81 B ATOM 1025 O LYS B 31 18. 225 11. 07 25. 712 1 27. 41 B ATOM 1026 N ALA B 32 17. 107 12. 55 26. 985 1 24. 65 B ATOM 1027 CA ALA B 32 17. 678 12. 047 28. 228 1 26. 56 B ATOM 1028 CB ALA B 32 17. 389 13. 024 29. 384 1 24. 73 B ATOM 1029 C ALA B 32 17. 057 10. 668 28. 501 1 27. 33 B ATOM 1030 O ALA B 32 17. 734 9. 727 28. 912 1 24. 84 B ATOM 1031 N TYR B 33 15. 757 10. 57 28. 252 1 28. 79 B ATOM 1032 CA TYR B 33 15. 019 9. 334 28. 432 1 31. 47 B ATOM 1033 CB TYR B 33 13. 526 9. 564 28. 111 1 33. 85 B ATOM 1034 CG TYR B 33 12. 822 8. 405 27. 432 1 38. 71 B ATOM 1035 CD1 TYR B 33 12. 441 7. 26 28. 138 1 41. 27 B ATOM 1036 CE1 TYR B 33 11. 808 6. 192 27. 49 1 43. 87 B ATOM 1037 CD2 TYR B 33 12. 552 8. 454 26. 07 1 39. 96 B ATOM 1038 CE2 TYR B 33 11. 926 7. 398 25. 415 1 43. 54 B ATOM 1039 CZ TYR B 33 11. 559 6. 274 26. 126 1 44. 42 B ATOM 1040 OH TYR B 33 10. 963 5. 237 25. 448 1 48. 89 B ATOM 1041 C TYR B 33 15. 629 8. 248 27. 531 1 31. 51 B ATOM 1042 O TYR B 33 16. 02 7. 183 28. 023 1 29. 51 B ATOM 1043 N GLU B 34 15. 743 8. 535 26. 236 1 29. 56 B ATOM 1044 CA GLU B 34 16. 318 7. 579 25. 295 1 29. 17 B ATOM 1045 CB GLU B 34 16. 356 8. 175 23. 876 1 27. 05 B ATOM 1046 CG GLU B 34 14. 976 8. 593 23. 35 1 29. 7 B ATOM 1047 CD GLU B 34 14. 986 9. 024 21. 881 1 30. 22 B ATOM 1048 OE1 GLU B 34 16. 052 9. 394 21. 349 1 33. 35 B ATOM 1049 OE2 GLU B 34 13. 917 9. 007 21. 252 1 35. 4 B ATOM 1050 C GLU B 34 17. 722 7. 157 25. 719 1 30. 87 B ATOM 1051 O GLU B 34 18. 064 5. 97 25. 669 1 30. 35 B ATOM 1052 N LEU B 35 18. 545 8. 118 26. 132 1 31. 18 B ATOM 1053 CA LEU B 35 19. 893 7. 772 26. 572 1 29. 6 B ATOM 1054 CB LEU B 35 20. 703 9. 024 26. 919 1 29. 44 B ATOM 1055 CG LEU B 35 22. 151 8. 729 27. 347 1 29. 34 B ATOM 1056 CD1 LEU B 35 22. 85 7. 959 26. 232 1 29. 94 B ATOM 1057 CD2 LEU B 35 22. 901 10. 026 27. 65 1 28. 58 B ATOM 1058 C LEU B 35 19. 86 6. 827 27. 794 1 30. 09 B ATOM 1059 O LEU B 35 20. 626 5. 855 27. 846 1 26. 28 B ATOM 1060 N SER B 36 18. 971 7. 086 28. 756 1 27. 62 B ATOM 1061 CA SER B 36 18. 913 6. 238 29. 953 1 28. 49 B ATOM 1062 CB SER B 36 17. 967 6. 823 31. 007 1 25. 61 B ATOM 1063 OG SER B 36 16. 622 6. 783 30. 57 1 24. 58 B ATOM 1064 C SER B 36 18. 495 4. 8 29. 643 1 28. 22 B ATOM 1065 O SER B 36 19 3. 851 30. 243 1 29. 87 B ATOM 1066 N VAL B 37 17. 569 4. 646 28. 709 1 29. 46 B ATOM 1067 CA VAL B 37 17. 092 3. 325 28. 316 1 30. 87 B ATOM 1068 CB VAL B 37 15. 727 3. 42 27. 594 1 30. 95 B ATOM 1069 CG1 VAL B 37 15. 296 2. 036 27. 07 1 31. 39 B ATOM 1070 CG2 VAL B 37 14. 685 3. 957 28. 555 1 28. 39 B ATOM 1071 C VAL B 37 18. 079 2. 596 27. 409 1 33. 14 B ATOM 1072 O VAL B 37 18. 43 1. 437 27. 662 1 36. 22 B ATOM 1073 N LEU B 38 18. 533 3. 276 26. 361 1 31. 98 B ATOM 1074 CA LEU B 38 19. 458 2. 684 25. 408 1 29. 85 B ATOM 1075 CB LEU B 38 19. 775 3. 677 24. 278 1 27. 74 B ATOM 1076 CG LEU B 38 18. 675 3. 981 23. 254 1 28. 24 B ATOM 1077 CD1 LEU B 38 19. 04 5. 25 22. 485 1 26. 38 B ATOM 1078 CD2 LEU B 38 18. 482 2. 784 22. 293 1 23. 61 B ATOM 1079 C LEU B 38 20. 76 2. 23 26. 023 1 31. 29 B ATOM 1080 O LEU B 38 21. 256 1. 144 25. 699 1 33. 93 B ATOM 1081 N CYS B 39 21. 314 3. 037 26. 921 1 27. 41 B ATOM 1082 CA CYS B 39 22. 602 2. 701 27. 493 1 26. 63 B ATOM 1083 CB CYS B 39 23. 57 3. 857 27. 225 1 28. 81 B ATOM 1084 SG CYS B 39 23. 654 4. 292 25. 439 1 31. 6 B ATOM 1085 C CYS B 39 22. 616 2. 31 28. 963 1 27. 86 B ATOM 1086 O CYS B 39 23. 688 2. 171 29. 57 1 26. 39 B ATOM 1087 N ASP B 40 21. 426 2. 134 29. 524 1 27. 45 B ATOM 1088 CA ASP B 40 21. 274 1. 714 30. 911 1 31. 93 B ATOM 1089 CB ASP B 40 21. 734 0. 265 31. 048 1 34. 24 B ATOM 1090 CG ASP B 40 21. 331-0. 353 32. 37 1 39. 16 B ATOM 1091 OD1 ASP B 40 20. 206-0. 091 32. 843 1 45. 86 B ATOM 1092 OD2 ASP B 40 22. 134-1. 114 32. 931 1 41. 49 B ATOM 1093 C ASP B 40 22. 011 2. 6 31. 912 1 32. 17 B ATOM 1094 ° ASP B 40 22. 895 2. 15 32. 634 1 33. 34 B ATOM 1095 N CYS B 41 21. 663 3. 88 31. 93 1 32. 96 B ATOM 1096 CA CYS B 41 22. 289 4. 798 32. 86 1 31. 37 B ATOM 1097 CB CYS B 41 23. 249 5. 757 32. 139 1 33. 39 B ATOM 1098 SG CYS B 41 22. 662 6. 547 30. 64 1 35. 59 B ATOM 1099 C CYS B 41 21. 202 5. 545 33. 592 1 29. 19 B ATOM 1100 O CYS B 41 20. 033 5. 504 33. 19 1 28. 67 B ATOM 1101 N GLU B 42 21. 584 6. 193 34. 688 1 28. 23 B ATOM 1102 CA GLU B 42 20. 646 6. 944 35. 508 1 28. 86 B ATOM 1103 CB GLU B 42 20. 839 6. 559 36. 976 1 33. 69 B ATOM 1104 CG GLU B 42 19. 558 6. 602 37. 79 1 43. 64 B ATOM 1105 CD GLU B 42 19. 686 5. 939 39. 159 1 46. 62 B ATOM 1106 OE1 GLU B 42 18. 683 5. 945 39. 91 1 50. 78 B ATOM 1107 OE2 GLU B 42 20. 778 5. 419 39. 482 1 48. 17 B ATOM 1108 C GLU B 42 20. 898 8. 44 35. 278 1 28. 2 B ATOM 1109 O GLU B 42 22. 019 8. 929 35. 439 1 26. 94 B ATOM 1110 N ILE B 43 19. 841 9. 167 34. 935 1 26. 78 B ATOM 1111 CA ILE B 43 19. 954 10. 591 34. 616 1 25. 55 B ATOM 1112 CB ILE B 43 19. 705 10. 802 33. 096 1 26. 15 B ATOM 1113 CG2 ILE B 43 19. 861 12. 283 32. 716 1 21. 89 B ATOM 1114 CG1 ILE B 43 20. 661 9. 912 32. 291 1 23. 39 B ATOM 1115 CD1 ILE B 43 20. 43 9. 956 30. 798 1 21. 07 B ATOM 1116 C ILE B 43 19. 04 11. 56 35. 363 1 27. 68 B ATOM 1117 O ILE B 43 17. 865 11. 258 35. 609 1 29. 36 B ATOM 1118 N ALA B 44 19. 593 12. 72 35. 732 1 23. 95 B ATOM 1119 CA ALA B 44 18. 819 13. 779 36. 397 1 23. 45 B ATOM 1120 CB ALA B 44 19. 197 13. 935 37. 874 1 18. 3 B ATOM 1121 C ALA B 44 19. 089 15. 088 35. 654 1 23. 77 B ATOM 1122 O ALA B 44 20. 231 15. 394 35. 287 1 23. 05 B ATOM 1123 N LEU B 45 18. 027 15. 856 35. 447 1 24. 04 B ATOM 1124 CA LEU B 45 18. 115 17. 119 34. 751 1 25. 49 B ATOM 1125 CB LEU B 45 17. 455 16. 998 33. 384 1 25. 24 B ATOM 1126 CG LEU B 45 17. 521 18. 163 32. 406 1 31. 7 B ATOM 1127 CD1 LEU B 45 18. 979 18. 502 32. 043 1 31. 68 B ATOM 1128 CD2 LEU B 45 16. 732 17. 777 31. 172 1 33. 7 B ATOM 1129 C LEU B 45 17. 42 18. 198 35. 574 1 27. 06 B ATOM 1130 O LEU B 45 16. 273 18. 029 36. 005 1 28. 17 B ATOM 1131 N ILE B 46 18. 125 19. 301 35. 799 1 27. 44 B ATOM 1132 CA ILE B 46 17. 587 20. 409 36. 566 1 28. 8 B ATOM 1133 CB ILE B 46 18. 368 20. 596 37. 893 1 30. 81 B ATOM 1134 CG2 ILE B 46 17. 901 21. 843 38. 585 1 24. 8 B ATOM 1135 CG1 ILE B 46 18. 216 19. 363 38. 791 1 31. 13 B ATOM 1136 CD1 ILE B 46 18. 924 19. 493 40. 138 1 36. 09 B ATOM 1137 C ILE B 46 17. 697 21. 677 35. 716 1 28. 13 B ATOM 1138 O ILE B 46 18. 784 22. 043 35. 254 1 28. 93 B ATOM 1139 N ILE B 47 16. 567 22. 348 35. 531 1 28. 27 B ATOM 1140 CA ILE B 47 16. 515 23. 553 34. 715 1 29. 73 B ATOM 1141 CB ILE B 47 15. 736 23. 3 33. 392 1 29. 44 B ATOM 1142 CG2 LE B 47 15. 827 24. 519 32. 485 1 30. 85 B ATOM 1143 CG1 LE B 47 16. 302 22. 089 32. 647 1 26. 89 B ATOM 1144 CD1 ILE B 47 15. 484 21. 736 31. 407 1 22. 48 B ATOM 1145 C ILE B 47 15. 813 24. 709 35. 426 1 31. 96 B ATOM 11460 ILE B 47 14. 693 24. 568 35. 924 1 33. 29 B ATOM 1147 N PHE B 48 16. 476 25. 851 35. 489 1 31. 16 B ATOM 1148 CA PHE B 48 15. 867 27. 038 36. 093 1 33. 73 B ATOM 1149 CB PHE B 48 16. 792 27. 68 37. 144 1 32 B ATOM 1150 CG PHE B 48 16. 924 26. 885 38. 405 1 32. 6 B ATOM 1151 CD1 PHE B 48 18. 095 26. 193 38. 686 1 32. 6 B ATOM 1152 CD2 PHE B 48 15. 882 26. 839 39. 318 1 31. 18 B ATOM 1153 CE1 PHE B 48 18. 222 25. 462 39. 862 1 32. 79 B ATOM 1154 CE2 PHE B 48 16. 003 26. 11 40. 493 1 34. 09 B ATOM 1155 CZ PHE B 48 17. 18 25. 424 40. 762 1 32. 3 B ATOM 1156 C PHE B 48 15. 678 28. 022 34. 95 1 32. 2 B ATOM 1157 O PHE B 48 16. 65 28. 355 34. 278 1 31. 41 B ATOM 1158 N ASN B 49 14. 453 28. 479 34. 699 1 34. 3 B ATOM 1159 CA ASN B 49 14. 289 29. 438 33. 601 1 37. 97 B ATOM 1160 CB ASN B 49 12. 857 29. 413 33. 011 1 36. 61 B ATOM 1161 CG ASN B 49 11. 814 30. 029 33. 935 1 38. 36 B ATOM 1162 OD1 ASN B 49 12. 136 30. 67 34. 935 1 38. 5 B ATOM 1163 ND2 ASN B 49 10. 552 29. 84 33. 589 1 37. 8 B ATOM 1164 C ASN B 49 14. 648 30. 843 34. 098 1 40. 48 B ATOM 1165 O ASN B 49 15. 002 31. 027 35. 266 1 41. 06 B ATOM 1166 N SER B 50 14. 561 31. 824 33. 203 1 44. 83 B ATOM 1167 CA SER B 50 14. 892 33. 212 33. 525 1 46. 75 B ATOM 1168 CB SER B 50 14. 688 34. 094 32. 289 1 47. 69 B ATOM 1169 OG SER B 50 13. 382 33. 911 31. 773 1 51. 29 B ATOM 1170 C SER B 50 14. 105 33. 789 34. 702 1 47. 25 B ATOM 1171 O SER B 50 14. 571 34. 721 35. 362 1 45. 84 B ATOM 1172 N ALA B 51 12. 917 33. 241 34. 957 1 47. 18 B ATOM 1173 CA ALA B 51 12. 094 33. 702 36. 07 1 48. 34 B ATOM 1174 CB ALA B 51 10. 619 33. 672 35. 683 1 48. 72 B ATOM 1175 C ALA B 51 12. 322 32. 849 37. 322 1 48. 08 B ATOM 1176 O ALA B 51 11. 518 32. 872 38. 257 1 47. 49 B ATOM 1177 N ASN B 52 13. 412 32. 089 37. 324 1 48. 01 B ATOM 1178 CA ASN B 52 13. 755 31. 226 38. 453 1 47. 48 B ATOM 1179 CB ASN B 52 14. 008 32. 079 39. 692 1 50. 55 B ATOM 1180 CG ASN B 52 15. 443 32. 008 40. 159 1 53. 99 B ATOM 1181 OD1 ASN B 52 16. 364 31. 811 39. 358 1 55. 39 B ATOM 1182 ND2 ASN B 52 15. 648 32. 189 41. 461 1 57. 49 B ATOM 1183 C ASN B 52 12. 743 30. 129 38. 781 1 45. 14 B ATOM 1184 O ASN B 52 12. 663 29. 661 39. 92 1 44. 19 B ATOM 1185 N ARG B 53 11. 967 29. 722 37. 785 1 44. 27 B ATOM 1186 CA ARG B 53 11. 003 28. 649 37. 977 1 44. 98 B ATOM 1187 CB ARG B 53 9. 851 28. 809 36. 983 1 47. 83 B ATOM 1188 CG ARG B 53 8. 637 27. 964 37. 29 1 54. 12 B ATOM 1189 CD ARG B 53 7. 41 28. 418 36. 494 1 58. 9 B ATOM 1190 NE ARG B 53 6. 893 29. 709 36. 944 1 63. 07 B ATOM 1191 CZ ARG B 53 5. 78 30. 275 36. 481 1 66. 45 B ATOM 1192 NH1 ARG B 53 5. 058 29. 665 35. 548 1 66. 11 B ATOM 1193 NH2 ARG B 53 5. 386 31. 454 36. 955 1 68. 07 B ATOM 1194 C ARG B 53 11. 789 27. 339 37. 737 1 43 B ATOM 1195 O ARG B 53 12. 626 27. 261 36. 837 1 39. 89 B ATOM 1196 N LEU B 54 11. 527 26. 324 38. 554 1 42. 08 B ATOM 1197 CA LEU B 54 12. 231 25. 041 38. 462 1 38. 23 B ATOM 1198 CB LEU B 54 12. 514 24. 52 39. 876 1 37. 55 B ATOM 1199 CG LEU B 54 13. 081 23. 101 40. 062 1 36. 42 B ATOM 1200 CD1 LEU B 54 14. 448 22. 977 39. 412 1 31. 65 B ATOM 1201 CD2 LEU B 54 13. 179 22. 797 41. 554 1 33. 36 B ATOM 1202 C LEU B 54 11. 545 23. 935 37. 661 1 39. 71 B ATOM 1203 O LEU B 54 10. 4 23. 571 37. 939 1 39. 17 B ATOM 1204 N PHE B 55 12. 255 23. 4 36. 668 1 37. 28 B ATOM 1205 CA PHE B 55 11. 736 22. 3 35. 853 1 36. 98 B ATOM 1206 CB PHE B 55 11. 636 22. 699 34. 371 1 36. 32 B ATOM 1207 CG PHE B 55 10. 821 23. 938 34. 124 1 35. 51 B ATOM 1208 CD1 PHE B 55 11. 306 25. 19 34. 49 1 35. 14 B ATOM 1209 CD2 PHE B 55 9. 558 23. 851 33. 542 1 34. 51 B ATOM 1210 CE1 PHE B 55 10. 541 26. 345 34. 278 1 37. 71 B ATOM 1211 CE2 PHE B 55 8. 78 24. 999 33. 323 1 36. 95 B ATOM 1212 CZ PHE B 55 9. 274 26. 249 33. 691 1 33. 69 B ATOM 1213 C PHE B 55 12. 741 21. 156 36. 005 1 35. 37 B ATOM 1214 O PHE B 55 13. 944 21. 369 35. 874 1 36. 7 B ATOM 1215 N GLN B 56 12. 264 19. 951 36. 293 1 34. 12 B ATOM 1216 CA GLN B 56 13. 179 18. 825 36. 459 1 33. 84 B ATOM 1217 CB GLN B 56 13. 417 18. 542 37. 937 1 32. 88 B ATOM 1218 CG GLN B 56 12. 18 18. 071 38. 697 1 34. 94 B ATOM 1219 CD GLN B 56 12. 484 17. 8 40. 16 1 35. 35 B ATOM 1220 OE1 GLN B 56 13. 19 18. 573 40. 809 1 36. 67 B ATOM 1221 NE2 GLN B 56 11. 955 16. 701 40. 689 1 37. 7 B ATOM 1222 C GLN B 56 12. 733 17. 536 35. 807 1 31. 9 B ATOM 1223 O GLN B 56 11. 552 17. 341 35. 542 1 31. 75 B ATOM 1224 N TYR B 57 13. 708 16. 659 35. 583 1 30. 19 B ATOM 1225 CA TYR B 57 13. 495 15. 341 34. 993 1 28. 59 B ATOM 1226 CB TYR B 57 13. 76 15. 352 33. 475 1 29. 27 B ATOM 1227 CG TYR B 57 14. 168 13. 989 32. 927 1 28. 83 B ATOM 1228 CD1 TYR B 57 13. 206 13. 045 32. 543 1 30. 46 B ATOM 1229 CE1 TYR B 57 13. 576 11. 754 32. 123 1 28. 49 B ATOM 1230 CD2 TYR B 57 15. 513 13. 615 32. 873 1 28. 26 B ATOM 1231 CE2 TYR B 57 15. 89 12. 334 32. 461 1 29. 76 B ATOM 1232 CZ TYR B 57 14. 918 11. 411 32. 088 1 28. 96 B ATOM 1233 OH TYR B 57 15. 307 10. 15 31. 695 1 33. 46 B ATOM 1234 C TYR B 57 14. 487 14. 386 35. 629 1 27. 35 B ATOM 1235 O TYR B 57 15. 635 14. 747 35. 883 1 28. 06 B ATOM 1236 N ALA B 58 14. 051 13. 163 35. 877 1 26. 17 B ATOM 1237 CA ALA B 58 14. 928 12. 146 36. 428 1 25. 66 B ATOM 1238 CB ALA B 58 14. 795 12. 065 37. 934 1 24. 67 B ATOM 1239 C ALA B 58 14. 452 10. 85 35. 767 1 27. 18 B ATOM 1240 O ALA B 58 13. 242 10. 574 35. 7 1 25. 41 B ATOM 1241 N SER B 59 15. 392 10. 071 35. 245 1 29. 04 B ATOM 1242 CA SER B 59 15. 037 8. 819 34. 58 1 31. 91 B ATOM 1243 CB SER B 59 16. 291 8. 124 34. 019 1 29. 07 B ATOM 1244 OG SER B 59 17. 267 7. 883 35. 017 1 30. 14 B ATOM 1245 C SER B 59 14. 295 7. 913 35. 562 1 32. 57 B ATOM 1246 O SER B 59 13. 248 7. 374 35. 235 1 36. 13 B ATOM 1247 N THR B 60 14. 815 7. 785 36. 777 1 36. 14 B ATOM 1248 CA THR B 60 14. 174 6. 958 37. 793 1 39. 69 B ATOM 1249 CB THR B 60 15. 21 6. 138 38. 595 1 42. 37 B ATOM 1250 OG1 THR B 60 16. 225 7. 012 39. 116 1 44. 18 B ATOM 1251 CG2 THR B 60 15. 837 5. 07 37. 722 1 42. 77 B ATOM 1252 C THR B 60 13. 377 7. 79 38. 788 1 39. 87 B ATOM 1253 O THR B 60 12. 162 7. 941 38. 67 1 40. 93 B ATOM 1254 N ASP B 61 14. 092 8. 309 39. 776 1 41. 43 B ATOM 1255 CA ASP B 61 13. 516 9. 118 40. 837 1 41. 79 B ATOM 1256 CB ASP B 61 13. 197 8. 208 42. 022 1 47. 88 B ATOM 1257 CG ASP B 61 12. 713 8. 971 43. 22 1 54. 38 B ATOM 1258 OD1 ASP B 61 11. 671 9. 664 43. 109 1 61. 93 B ATOM 1259 OD2 ASP B 61 13. 377 8. 882 44. 277 1 59. 76 B ATOM 1260 C ASP B 61 14. 55 10. 187 41. 209 1 37. 91 B ATOM 1261 O ASP B 61 15. 693 9. 868 41. 529 1 35. 04 B ATOM 1262 N MET B 62 14. 148 11. 453 41. 167 1 36. 17 B ATOM 1263 CA MET B 62 15. 071 12. 534 41. 472 1 34. 56 B ATOM 1264 CB MET B 62 14. 347 13. 876 41. 419 1 35. 25 B ATOM 1265 CG MET B 62 15. 283 15. 073 41. 477 1 37. 33 B ATOM 1266 SD MET B 62 16. 503 15. 147 40. 142 1 38. 34 B ATOM 1267 CE MET B 62 15. 559 15. 805 38. 853 1 37. 12 B ATOM 1268 C MET B 62 15. 775 12. 388 42. 815 1 35. 07 B ATOM 1269 O MET B 62 16. 988 12. 581 42. 917 1 32. 88 B ATOM 1270 N ASP B 63 15. 003 12. 047 43. 839 1 37. 11 B ATOM 1271 CA ASP B 63 15. 532 11. 878 45. 183 1 40. 14 B ATOM 1272 CB ASP B 63 14. 411 11. 376 46. 103 1 48. 42 B ATOM 1273 CG ASP B 63 14. 794 11. 439 47. 571 1 58. 45 B ATOM 1274 OD1 ASP B 63 15. 916 11. 003 47. 923 1 63. 85 B ATOM 1275 OD2 ASP B 63 13. 971 11. 922 48. 384 1 65. 83 B ATOM 1276 C ASP B 63 16. 687 10. 872 45. 158 1 36. 44 B ATOM 1277 O ASP B 63 17. 764 11. 104 45. 699 1 35. 13 B ATOM 1278 N ARG B 64 16. 435 9. 754 44. 495 1 35. 56 B ATOM 1279 CA ARG B 64 17. 401 8. 673 44. 346 1 33. 65 B ATOM 1280 CB ARG B 64 16. 769 7. 564 43. 509 1 38. 03 B ATOM 1281 CG ARG B 64 17. 614 6. 314 43. 319 1 43. 42 B ATOM 1282 CD ARG B 64 16. 851 5. 305 42. 448 1 48. 49 B ATOM 1283 NE ARG B 64 17. 566 4. 04 42. 343 1 54. 89 B ATOM 1284 CZ ARG B 64 17. 794 3. 214 43. 364 1 58. 43 B ATOM 1285 NH1 ARG B 64 17. 356 3. 514 44. 579 1 60. 57 B ATOM 1286 NH2 ARG B 64 18. 469 2. 088 43. 174 1 58. 47 B ATOM 1287 C ARG B 64 18. 709 9. 131 43. 68 1 30. 56 B ATOM 1288 O ARG B 64 19. 804 8. 917 44. 204 1 27. 81 B ATOM 1289 N VAL B 65 18. 588 9. 772 42. 525 1 26 B ATOM 1290 CA VAL B 65 19. 761 10. 226 41. 807 1 26. 66 B ATOM 1291 CB VAL B 65 19. 37 10. 808 40. 428 1 26. 22 B ATOM 1292 CG1 VAL B 65 20. 604 11. 266 39. 687 1 26. 62 B ATOM 1293 CG2 VAL B 65 18. 608 9. 764 39. 621 1 27. 95 B ATOM 1294 C VAL B 65 20. 571 11. 27 42. 585 1 26. 64 B ATOM 1295 O VAL B 65 21. 796 11. 173 42. 65 1 26. 17 B ATOM 1296 N LEU B 66 19. 911 12. 273 43. 164 1 26. 77 B ATOM 1297 CA LEU B 66 20. 679 13. 301 43. 886 1 28. 57 B ATOM 1298 CB LEU B 66 19. 806 14. 526 44. 177 1 26. 31 B ATOM 1299 CG LEU B 66 19. 332 15. 257 42. 905 1 27. 89 B ATOM 1300 CD1 LEU B 66 18. 614 16. 533 43. 276 1 24. 16 B ATOM 1301 CD2 LEU B 66 20. 529 15. 562 42. 004 1 23. 2 B ATOM 1302 C LEU B 66 21. 328 12. 769 45. 169 1 28. 67 B ATOM 1303 O LEU B 66 22. 438 13. 169 45. 52 1 27. 62 B ATOM 1304 N LEU B 67 20. 642 11. 861 45. 858 1 27. 77 B ATOM 1305 CA LEU B 67 21. 203 11. 259 47. 071 1 28. 37 B ATOM 1306 CB LEU B 67 20. 228 10. 252 47. 689 1 31. 19 B ATOM 1307 CG LEU B 67 19. 318 10. 864 48. 752 1 35. 74 B ATOM 1308 CD1 LEU B 67 18. 259 9. 871 49. 17 1 38. 59 B ATOM 1309 CD2 LEU B 67 20. 174 11. 265 49. 954 1 38. 3 B ATOM 1310 C LEU B 67 22. 494 10. 561 46. 702 1 29. 37 B ATOM 1311 O LEU B 67 23. 52 10. 729 47. 359 1 30 B ATOM 1312 N LYS B 68 22. 443 9. 787 45. 628 1 28. 5 B ATOM 1313 CA LYS B 68 23. 612 9. 081 45. 156 1 28. 15 B ATOM 1314 CB LYS B 68 23. 239 8. 24 43. 948 1 30. 28 B ATOM 1315 CG LYS B 68 24. 379 7. 37 43. 45 1 39. 05 B ATOM 1316 CD LYS B 68 23. 942 6. 652 42. 204 1 43. 18 B ATOM 1317 CE LYS B 68 24. 423 5. 236 42. 236 1 46. 16 B ATOM 1318 NZ LYS B 68 23. 851 4. 509 41. 09 1 52. 75 B ATOM 1319 C LYS B 68 24. 739 10. 058 44. 788 1 27. 16 B ATOM 1320 O LYS B 68 25. 927 9. 798 45. 03 1 25. 2 B ATOM 1321 N TYR B 69 24. 37 11. 189 44. 204 1 27. 31 B ATOM 1322 CA TYR B 69 25. 363 12. 188 43. 821 1 29. 12 B ATOM 1323 CB TYR B 69 24. 689 13. 397 43. 164 1 28. 56 B ATOM 1324 CG TYR B 69 25. 675 14. 418 42. 632 1 27. 05 B ATOM 1325 CD1 TYR B 69 26. 281 14. 246 41. 386 1 26. 62 B ATOM 1326 CE1 TYR B 69 27. 209 15. 173 40. 89 1 27. 07 B ATOM 1327 CD2 TYR B 69 26. 013 15. 548 43. 388 1 27. 37 B ATOM 1328 CE2 TYR B 69 26. 934 16. 483 42. 914 1 25. 61 B ATOM 1329 CZ TYR B 69 27. 528 16. 29 41. 668 1 30. 94 B ATOM 1330 OH TYR B 69 28. 435 17. 213 41. 215 1 28. 18 B ATOM 1331 C TYR B 69 26. 149 12. 67 45. 048 1 30. 67 B ATOM 1332 O TYR B 69 27. 369 12. 849 44. 98 1 29. 63 B ATOM 1333 N THR B 70 25. 452 12. 868 46. 167 1 30. 54 B ATOM 1334 CA THR B 70 26. 112 13. 346 47. 377 1 35. 2 B ATOM 1335 CB THR B 70 25. 106 13. 625 48. 526 1 36. 14 B ATOM 1336 OG1 THR B 70 24. 47 12. 412 48. 926 1 38. 31 B ATOM 1337 CG2 THR B 70 24. 044 14. 602 48. 081 1 38. 42 B ATOM 1338 C THR B 70 27. 178 12. 377 47. 893 1 36. 69 B ATOM 1339 O THR B 70 28. 022 12. 757 48. 706 1 37. 11 B ATOM 1340 N GLU B 71 27. 149 11. 136 47. 409 1 36. 99 B ATOM 1341 CA GLU B 71 28. 124 10. 129 47. 833 1 37. 36 B ATOM 1342 CB GLU B 71 27. 593 8. 716 47. 56 1 34. 51 B ATOM 1343 CG GLU B 71 26. 37 8. 306 48. 371 1 35. 01 B ATOM 1344 CD GLU B 71 25. 736 7. 008 47. 855 1 36. 43 B ATOM 1345 OE1 GLU B 71 26. 482 6. 138 47. 358 1 34. 91 B ATOM 1346 OE2 GLU B 71 24. 502 6. 847 47. 96 1 36. 43 B ATOM 1347 C GLU B 71 29. 48 10. 278 47. 144 1 38. 66 B ATOM 1348 O GLU B 71 30. 482 9. 779 47. 642 1 39. 94 B ATOM 1349 N TYR B 72 29. 519 10. 955 45. 999 1 38. 79 B ATOM 1350 CA TYR B 72 30. 773 11. 117 45. 261 1 39 B ATOM 1351 CB TYR B 72 30. 506 11. 173 43. 742 1 38. 9 B ATOM 1352 CG TYR B 72 29. 954 9. 887 43. 171 1 38. 12 B ATOM 1353 CD1 TYR B 72 28. 736 9. 367 43. 62 1 36. 91 B ATOM 1354 CE1 TYR B 72 28. 24 8. 149 43. 128 1 34. 27 B ATOM 1355 CD2 TYR B 72 30. 665 9. 164 42. 21 1 36. 53 B ATOM 1356 CE2 TYR B 72 30. 179 7. 947 41. 708 1 36. 19 B ATOM 1357 CZ TYR B 72 28. 965 7. 447 42. 176 1 35. 58 B ATOM 1358 OH TYR B 72 28. 478 6. 246 41. 698 1 37. 9 B ATOM 1359 C TYR B 72 31. 588 12. 344 45. 678 1 40. 31 B ATOM 1360 O TYR B 72 31. 044 13. 431 45. 9 1 39. 32 B ATOM 1361 N SER B 73 32. 896 12. 149 45. 791 1 41. 33 B ATOM 1362 CA SER B 73 33. 785 13. 225 46. 166 1 44. 86 B ATOM 1363 CB SER B 73 35. 113 12. 686 46. 72 1 47. 35 B ATOM 1364 OG SER B 73 35. 674 11. 719 45. 851 1 53. 4 B ATOM 1365 C SER B 73 34. 048 14. 113 44. 959 1 45. 01 B ATOM 1366 O SER B 73 34. 253 15. 316 45. 088 1 44. 9 B ATOM 1367 N GLU B 74 34. 029 13. 51 43. 777 1 45. 33 B ATOM 1368 CA GLU B 74 34. 23 14. 245 42. 538 1 44. 3 B ATOM 1369 CB GLU B 74 35. 705 14. 596 42. 342 1 46. 84 B ATOM 1370 CG GLU B 74 36. 569 13. 448 41. 832 1 50. 3 B ATOM 1371 CD GLU B 74 38. 009 13. 873 41. 562 1 53. 79 B ATOM 1372 OE1 GLU B 74 38. 756 13. 079 40. 943 1 53. 79 B ATOM 1373 OE2 GLU B 74 38. 395 14. 994 41. 973 1 55. 86 B ATOM 1374 C GLU B 74 33. 742 13. 414 41. 36 1 43. 75 B ATOM 1375 O GLU B 74 33. 699 12. 185 41. 431 1 43. 54 B ATOM 1376 N PRO B 75 33. 361 14. 079 40. 259 1 43. 7 B ATOM 1377 CD PRO B 75 33. 222 15. 537 40. 096 1 43. 01 B ATOM 1378 CA PRO B 75 32. 874 13. 382 39. 066 1 43. 66 B ATOM 1379 CB PRO B 75 32. 07 14. 458 38. 358 1 41. 56 B ATOM 1380 CG PRO B 75 32. 883 15. 663 38. 613 1 41. 57 B ATOM 1381 C PRO B 75 34. 006 12. 854 38. 194 1 44. 62 B ATOM 1382 O PRO B 75 35. 128 13. 35 38. 248 1 44. 73 B ATOM 1383 N HIS B 76 33. 708 11. 84 37. 395 1 45. 51 B ATOM 1384 CA HIS B 76 34. 711 11. 282 36. 502 1 47. 4 B ATOM 1385 CB HIS B 76 34. 263 9. 918 35. 978 1 49. 56 B ATOM 1386 CG HIS B 76 35. 243 9. 277 35. 047 1 53. 73 B ATOM 1387 CD2 HIS B 76 36. 539 8. 924 35. 223 1 54. 17 B ATOM 1388 ND1 HIS B 76 34. 922 8. 928 33. 753 1 55. 53 B ATOM 1389 CE1 HIS B 76 35. 976 8. 387 33. 169 1 56. 19 B ATOM 1390 NE2 HIS B 76 36. 971 8. 372 34. 04 1 56. 31 B ATOM 1391 C HIS B 76 34. 876 12. 259 35. 344 1 47. 01 B ATOM 13920 HIS B 76 35. 939 12. 353 34. 74 1 48. 38 B ATOM 1393 N GLU B 77 33. 81 12. 991 35. 049 1 46. 26 B ATOM 1394 CA GLU B 77 33. 811 13. 97 33. 971 1 45. 14 B ATOM 1395 CB GLU B 77 33. 279 13. 35 32. 682 1 47. 33 B ATOM 1396 CG GLU B 77 33. 161 14. 341 31. 537 1 50. 46 B ATOM 1397 CD GLU B 77 32. 699 13. 69 30. 242 1 53. 01 B ATOM 1398 OE1 GLU B 77 33. 456 12. 865 29. 684 1 53. 59 B ATOM 1399 OE2 GLU B 77 31. 582 13. 999 29. 782 1 51. 66 B ATOM 1400 C GLU B 77 32. 936 15. 15 34. 343 1 43. 34 B ATOM 1401 O GLU B 77 31. 79 14. 973 34. 76 1 41. 26 B ATOM 1402 N SER B 78 33. 487 16. 35 34. 194 1 41. 23 B ATOM 1403 CA SER B 78 32. 764 17. 574 34. 503 1 41. 14 B ATOM 1404 CB SER B 78 33. 337 18. 237 35. 754 1 41. 52 B ATOM 1405 OG SER B 78 32. 595 19. 389 36. 089 1 41. 4 B ATOM 1406 C SER B 78 32. 892 18. 511 33. 314 1 41. 57 B ATOM 1407 O SER B 78 33. 999 18. 816 32. 857 1 38. 07 B ATOM 1408 N ARG B 79 31. 751 18. 956 32. 811 1 41. 11 B ATOM 1409 CA ARG B 79 31. 727 19. 837 31. 658 1 42. 47 B ATOM 1410 CB ARG B 79 31. 129 19. 102 30. 458 1 44. 58 B ATOM 1411 CG ARG B 79 31. 856 19. 315 29. 154 1 50. 87 B ATOM 1412 CD ARG B 79 33. 179 18. 559 29. 122 1 56. 25 B ATOM 1413 NE ARG B 79 33. 086 17. 309 28. 375 1 61. 98 B ATOM 1414 CZ ARG B 79 33. 035 17. 227 27. 048 1 64. 81 B ATOM 1415 NH1 ARG B 79 33. 069 18. 331 26. 307 1 63. 94 B ATOM 1416 NH2 ARG B 79 32. 961 16. 035 26. 459 1 65. 74 B ATOM 1417 C ARG B 79 30. 9 21. 077 31. 969 1 41. 36 B ATOM 1418 O ARG B 79 30 21. 062 32. 804 1 38. 61 B ATOM 1419 N THR B 80 31. 231 22. 158 31. 278 1 43. 74 B ATOM 1420 CA THR B 80 30. 556 23. 436 31. 436 1 45. 56 B ATOM 1421 CB THR B 80 31. 381 24. 348 32. 383 1 45. 67 B ATOM 1422 OG1 THR B 80 30. 62 25. 502 32. 738 1 53. 16 B ATOM 1423 CG2 THR B 80 32. 661 24. 806 31. 714 1 47. 88 B ATOM 1424 C THR B 80 30. 427 24. 028 30. 016 1 45. 3 B ATOM 1425 O THR B 80 31. 031 23. 517 29. 07 1 41. 77 B ATOM 1426 N ASN B 81 29. 623 25. 076 29. 868 1 46. 6 B ATOM 1427 CA ASN B 81 29. 412 25. 739 28. 578 1 49. 98 B ATOM 1428 CB ASN B 81 28. 56 27. 017 28. 767 1 50. 64 B ATOM 1429 CG ASN B 81 27. 061 26. 724 28. 928 1 55. 32 B ATOM 1430 OD1 ASN B 81 26. 635 25. 574 29. 115 1 20. 32 B ATOM 1431 ND2 ASN B 81 26. 247 27. 771 28. 832 1 20. 32 B ATOM 1432 C ASN B 81 30. 764 26. 062 27. 908 1 51 B ATOM 1433 O ASN B 81 30. 946 25. 808 26. 713 1 51. 17 B ATOM 1434 N THR B 82 31. 713 26. 6 28. 672 1 52. 1 B ATOM 1435 CA THR B 82 33. 027 26. 918 28. 126 1 52. 95 B ATOM 1436 CB THR B 82 33. 998 27. 358 29. 243 1 54. 4 B ATOM 1437 OG1 THR B 82 33. 483 28. 533 29. 886 1 53. 14 B ATOM 1438 CG2 THR B 82 35. 391 27. 657 28. 664 1 55. 52 B ATOM 1439 C THR B 82 33. 598 25. 687 27. 413 1 53. 47 B ATOM 1440 O THR B 82 33. 985 25. 762 26. 249 1 53. 92 B ATOM 1441 N ASP B 83 33. 624 24. 552 28. 109 1 53. 47 B ATOM 1442 CA ASP B 83 34. 16 23. 308 27. 547 1 53. 99 B ATOM 1443 CB ASP B 83 34. 082 22. 18 28. 581 1 56. 65 B ATOM 1444 CG ASP B 83 34. 8 22. 521 29. 869 1 59. 18 B ATOM 1445 OD1 ASP B 83 35. 995 22. 884 29. 798 1 59. 42 B ATOM 1446 OD2 ASP B 83 34. 167 22. 421 30. 946 1 59. 74 B ATOM 1447 C ASP B 83 33. 457 22. 857 26. 272 1 53. 91 B ATOM 1448 O ASP B 83 34. 1 22. 41 25. 319 1 53. 47 B ATOM 1449 N ILE B 84 32. 133 22. 956 26. 267 1 52. 75 B ATOM 1450 CA ILE B 84 31. 353 22. 554 25. 11 1 51. 65 B ATOM 1451 CB ILE B 84 29. 854 22. 522 25. 449 1 50. 63 B ATOM 1452 CG2 ILE B 84 29. 031 22. 29 24. 18 1 48. 94 B ATOM 1453 CG1 ILE B 84 29. 591 21. 41 26. 472 1 50. 05 B ATOM 1454 CD1 ILE B 84 28. 214 21. 45 27. 068 1 53. 13 B ATOM 1455 C ILE B 84 31. 594 23. 5 23. 946 1 52. 18 B ATOM 14560 ILE B 84 31. 717 23. 073 22. 8 1 51. 22 B ATOM 1457 N LEU B 85 31. 676 24. 787 24. 252 1 54. 71 B ATOM 1458 CA LEU B 85 31. 898 25. 798 23. 23 1 58. 44 B ATOM 1459 CB LEU B 85 31. 904 27. 189 23. 867 1 58. 53 B ATOM 1460 CG LEU B 85 30. 901 28. 194 23. 293 1 61. 17 B ATOM 1461 CD1 LEU B 85 30. 987 29. 497 24. 083 1 61. 88 B ATOM 1462 CD2 LEU B 85 31. 191 28. 447 21. 81 1 59. 56 B ATOM 1463 C LEU B 85 33. 219 25. 541 22. 52 1 59. 94 B ATOM 1464 O LEU B 85 33. 285 25. 545 21. 288 1 59. 66 B ATOM 1465 N GLU B 86 34. 264 25. 299 23. 309 1 63. 07 B ATOM 1466 CA GLU B 86 35. 604 25. 039 22. 769 1 67. 21 B ATOM 1467 CB GLU B 86 36. 644 24. 867 23. 904 1 68. 13 B ATOM 1468 CG GLU B 86 36. 49 25. 828 25. 088 1 72. 42 B ATOM 1469 CD GLU B 86 37. 682 26. 757 25. 298 1 74. 24 B ATOM 1470 OE1 GLU B 86 38. 037 27. 455 24. 337 1 74. 65 B ATOM 1471 OE2 GLU B 86 38. 257 26. 807 26. 398 1 74. 7 B ATOM 1472 C GLU B 86 35. 608 23. 778 21. 892 1 68. 76 B ATOM 1473 O GLU B 86 36. 23 23. 749 20. 827 1 69. 52 B ATOM 1474 N THR B 87 34. 938 22. 725 22. 354 1 70. 02 B ATOM 1475 CA THR B 87 34. 885 21. 475 21. 597 1 71. 01 B ATOM 1476 CB THR B 87 34. 096 20. 375 22. 36 1 69. 86 B ATOM 1477 OG1 THR B 87 34. 78 20. 049 23. 579 1 68. 6 B ATOM 1478 CG2 THR B 87 33. 961 19. 115 21. 506 1 68. 1 B ATOM 1479 C THR B 87 34. 209 21. 732 20. 258 1 73. 03 B ATOM 1480 O THR B 87 34. 553 21. 113 19. 249 1 72. 76 B ATOM 1481 N LEU B 88 33. 252 22. 654 20. 255 1 74. 73 B ATOM 1482 CA LEU B 88 32. 532 22. 989 19. 035 1 78. 14 B ATOM 1483 CB LEU B 88 31. 213 23. 691 19. 367 1 77. 04 B ATOM 1484 CG LEU B 88 30. 114 22. 849 20. 019 1 75. 85 B ATOM 1485 CD1 LEU B 88 28. 851 23. 68 20. 149 1 75. 58 B ATOM 1486 CD2 LEU B 88 29. 839 21. 615 19. 178 1 75. 12 B ATOM 1487 C LEU B 88 33. 363 23. 872 18. 103 1 80. 88 B ATOM 1488 O LEU B 88 33. 461 23. 597 16. 909 1 80. 9 B ATOM 1489 N LYS B 89 33. 96 24. 928 18. 65 1 84. 73 B ATOM 1490 CA LYS B 89 34. 777 25. 845 17. 855 1 88. 68 B ATOM 1491 CB LYS B 89 35. 496 26. 838 18. 766 1 89. 31 B ATOM 1492 CG LYS B 89 34. 603 27. 447 19. 829 1 90. 6 B ATOM 1493 CD LYS B 89 35. 395 28. 359 20. 752 1 90. 74 B ATOM 1494 CE LYS B 89 34. 598 28. 658 22. 013 1 90. 46 B ATOM 1495 NZ LYS B 89 35. 282 29. 663 22. 872 1 89. 26 B ATOM 1496 C LYS B 89 35. 811 25. 067 17. 055 1 90. 9 B ATOM 1497 O LYS B 89 35. 832 25. 106 15. 824 1 91. 71 B ATOM 1498 N ARG B 90 36. 681 24. 37 17. 773 1 93. 28 B ATOM 1499 CA ARG B 90 37. 722 23. 577 17. 146 1 96. 42 B ATOM 1500 CB ARG B 90 38. 91 23. 443 18. 1 1 97. 82 B ATOM 1501 CG ARG B 90 39. 254 22. 021 18. 499 1 99. 93 B ATOM 1502 CD ARG B 90 39. 406 21. 915 20. 002 1 101. 46 B ATOM 1503 NE ARG B 90 39. 773 20. 564 20. 409 1 102. 84 B ATOM 1504 CZ ARG B 90 39. 87 20. 167 21. 672 1 103. 47 B ATOM 1505 NH1 ARG B 90 39. 623 21. 022 22. 656 1 103. 43 B ATOM 1506 NH2 ARG B 90 40. 22 18. 918 21. 95 1 104. 12 B ATOM 1507 C ARG B 90 37. 143 22. 217 16. 789 1 97. 74 B ATOM 1508 O ARG B 90 36. 555 21. 544 17. 635 1 98. 08 B ATOM 1509 N ARG B 91 37. 313 21. 813 15. 533 1 99. 74 B ATOM 1510 CA ARG B 91 36. 794 20. 534 15. 059 1 100. 97 B ATOM 1511 CB ARG B 91 37. 321 19. 383 15. 918 1 102. 64 B ATOM 1512 CG ARG B 91 38. 83 19. 223 15. 885 1 105. 17 B ATOM 1513 CD ARG B 91 39. 282 17. 976 16. 625 1 107. 46 B ATOM 1514 NE ARG B 91 40. 733 17. 816 16. 583 1 109. 08 B ATOM 1515 CZ ARG B 91 41. 38 16. 754 17. 053 1 109. 68 B ATOM 1516 NH1 ARG B 91 40. 705 15. 754 17. 602 1 109. 66 B ATOM 1517 NH2 ARG B 91 42. 703 16. 692 16. 978 1 109. 59 B ATOM 1518 C ARG B 91 35. 278 20. 565 15. 1 1 100. 84 B ATOM 1519 O ARG B 91 34. 729 21. 684 15. 183 1 100. 87 B ATOM 1520 OXT ARG B 91 34. 658 19. 48 15. 049 1 100. 93 B ATOM 1521 CB SER G 101 33. 399 23. 233 41. 413 1 84. 82 G ATOM 1522 OG SER G 101 32. 706 23. 419 40. 191 1 86. 97 G ATOM 1523 C SER G 101 35. 682 23. 685 40. 508 1 82. 99 G ATOM 1524 O SER G 101 35. 456 23. 677 39. 296 1 82. 79 G ATOM 1525 N SER G 101 34. 213 25. 567 41. 269 1 83. 56 G ATOM 1526 CA SER G 101 34. 619 24. 148 41. 505 1 83. 48 G ATOM 1527 N PRO G 102 36. 86 23. 284 41. 017 1 81. 79 G ATOM 1528 CD PRO G 102 37. 179 23. 236 42. 455 1 82. 02 G ATOM 1529 CA PRO G 102 37. 999 22. 811 40. 219 1 79. 33 G ATOM 1530 CB PRO G 102 39. 001 22. 36 41. 283 1 80. 49 G ATOM 1531 CG PRO G 102 38. 687 23. 263 42. 445 1 81. 29 G ATOM 1532 C PRO G 102 37. 645 21. 68 39. 252 1 76. 73 G ATOM 1533 O PRO G 102 37. 481 21. 903 38. 05 1 76. 52 G ATOM 1534 N LYS G 103 37. 545 20. 464 39. 783 1 71. 68 G ATOM 1535 CA LYS G 103 37. 21 19. 304 38. 973 1 67. 45 G ATOM 1536 CB LYS G 103 37. 805 18. 041 39. 598 1 69. 85 G ATOM 1537 CG LYS G 103 39. 167 17. 64 39. 048 1 71. 38 G ATOM 1538 CD LYS G 103 39. 761 16. 504 39. 872 1 72. 67 G ATOM 1539 CE LYS G 103 40. 864 15. 761 39. 126 1 72. 88 G ATOM 1540 NZ LYS G 103 40. 325 14. 921 38. 017 1 72. 23 G ATOM 1541 C LYS G 103 35. 698 19. 142 38. 823 1 63. 81 G ATOM 1542 O LYS G 103 35. 226 18. 166 38. 249 1 62. 88 G ATOM 1543 N GLY G 104 34. 943 20. 104 39. 338 1 60. 28 G ATOM 1544 CA GLY G 104 33. 499 20. 04 39. 241 1 55. 58 G ATOM 1545 C GLY G 104 32. 855 19. 579 40. 529 1 53. 05 G ATOM 1546 O GLY G 104 31. 639 19. 394 40. 592 1 53. 21 G ATOM 1547 N SER G 105 33. 671 19. 393 41. 561 1 50. 15 G ATOM 1548 CA SER G 105 33. 184 18. 946 42. 866 1 47. 97 G ATOM 1549 CB SER G 105 34. 351 18. 536 43. 772 1 50. 05 G ATOM 1550 OG SER G 105 35. 154 17. 536 43. 178 1 55. 23 G ATOM 1551 C SER G 105 32. 434 20. 059 43. 565 1 46. 74 G ATOM 1552 O SER G 105 32. 813 21. 216 43. 459 1 47. 36 G ATOM 1553 N ILE G 106 31. 37 19. 715 44. 285 1 44. 25 G ATOM 1554 CA ILE G 106 30. 628 20. 723 45. 025 1 42. 05 G ATOM 1555 CB ILE G 106 29. 101 20. 452 45. 052 1 39. 75 G ATOM 1556 CG2 ILE G 106 28. 544 20. 463 43. 634 1 39. 32 G ATOM 1557 CG1 ILE G 106 28. 806 19. 133 45. 766 1 36. 17 G ATOM 1558 CD1 ILE G 106 27. 339 18. 903 46. 025 1 33. 91 G ATOM 1559 C ILE G 106 31. 162 20. 708 46. 461 1 44. 15 G ATOM 15600 ILE G 106 31. 641 19. 685 46. 955 1 43. 23 G ATOM 1561 N SER G 107 31. 079 21. 851 47. 125 1 44. 91 G ATOM 1562 CA SER G 107 31. 566 21. 973 48. 486 1 46. 43 G ATOM 1563 CB SER G 107 31. 423 23. 422 48. 954 1 46. 42 G ATOM 1564 OG SER G 107 30. 058 23. 777 49. 096 1 45. 47 G ATOM 1565 C SER G 107 30. 792 21. 054 49. 425 1 48. 66 G ATOM 1566 O SER G 107 29. 683 20. 619 49. 11 1 48. 39 G ATOM 1567 N GLU G 108 31. 381 20. 772 50. 583 1 50. 23 G ATOM 1568 CA GLU G 108 30. 744 19. 922 51. 576 1 50. 79 G ATOM 1569 CB GLU G 108 31. 724 19. 596 52. 707 1 52. 67 G ATOM 1570 CG GLU G 108 32. 895 18. 738 52. 25 1 56. 96 G ATOM 1571 CD GLU G 108 32. 466 17. 34 51. 811 1 59. 98 G ATOM 1572 OE1 GLU G 108 33. 187 16. 724 50. 994 1 60. 82 G ATOM 1573 OE2 GLU G 108 31. 418 16. 854 52. 296 1 61. 56 G ATOM 1574 C GLU G 108 29. 502 20. 589 52. 138 1 49. 95 G ATOM 1575 O GLU G 108 28. 526 19. 91 52. 445 1 50. 47 G ATOM 1576 N GLU G 109 29. 528 21. 916 52. 264 1 49. 7 G ATOM 1577 CA GLU G 109 28. 372 22. 639 52. 791 1 49. 18 G ATOM 1578 CB GLU G 109 28. 676 24. 136 52. 976 1 53. 52 G ATOM 1579 CG GLU G 109 27. 501 24. 921 53. 6 1 60. 18 G ATOM 1580 CD GLU G 109 27. 806 26. 405 53. 842 1 64. 3 G ATOM 1581 OE1 GLU G 109 28. 824 26. 707 54. 5 1 66. 64 G ATOM 1582 OE2 GLU G 109 27. 024 27. 273 53. 383 1 66. 41 G ATOM 1583 C GLU G 109 27. 181 22. 475 51. 854 1 46. 06 G ATOM 1584 O GLU G 109 26. 067 22. 209 52. 305 1 45. 93 G ATOM 1585 N THR G 110 27. 418 22. 643 50. 554 1 45. 31 G ATOM 1586 CA THR G 110 26. 362 22. 492 49. 547 1 44. 04 G ATOM 1587 CB THR G 110 26. 898 22. 742 48. 102 1 46. 1 G ATOM 1588 OG1 THR G 110 27. 404 24. 077 47. 982 1 46. 79 G ATOM 1589 CG2 THR G 110 25. 78 22. 524 47. 08 1 46. 11 G ATOM 1590 C THR G 110 25. 859 21. 047 49. 596 1 41. 38 G ATOM 1591 O THR G 110 24. 655 20. 78 49. 699 1 40. 65 G ATOM 1592 N LYS G 111 26. 813 20. 127 49. 519 1 39. 32 G ATOM 1593 CA LYS G 111 26. 54 18. 698 49. 536 1 40. 34 G ATOM 1594 CB LYS G 111 27. 867 17. 931 49. 556 1 40. 51 G ATOM 1595 CG LYS G 111 27. 731 16. 415 49. 597 1 42. 06 G ATOM 1596 CD LYS G 111 29. 1 15. 741 49. 656 1 41. 75 G ATOM 1597 CE LYS G 111 29. 871 15. 949 48. 37 1 39. 89 G ATOM 1598 NZ LYS G 111 31. 229 15. 336 48. 432 1 44. 41 G ATOM 1599 C LYS G 111 25. 673 18. 281 50. 719 1 39. 83 G ATOM 1600 O LYS G 111 24. 688 17. 571 50. 55 1 40. 06 G ATOM 1601 N GLN G 112 26. 036 18. 733 51. 915 1 41. 04 G ATOM 1602 CA GLN G 112 25. 291 18. 389 53. 12 1 41. 82 G ATOM 1603 CB GLN G 112 26. 103 18. 758 54. 37 1 44. 63 G ATOM 1604 CG GLN G 112 27. 158 17. 717 54. 702 1 46. 07 G ATOM 1605 CD GLN G 112 26. 567 16. 32 54. 744 1 47. 48 G ATOM 1606 OE1 GLN G 112 25. 536 16. 088 55. 378 1 49. 65 G ATOM 1607 NE2 GLN G 112 27. 213 15. 384 54. 07 1 49. 26 G ATOM 1608 C GLN G 112 23. 916 19. 031 53. 163 1 42. 32 G ATOM 1609 O GLN G 112 22. 972 18. 461 53. 727 1 42. 96 G ATOM 1610 N LYS G 113 23. 792 20. 219 52. 577 1 42. 78 G ATOM 1611 CA LYS G 113 22. 487 20. 87 52. 529 1 42. 19 G ATOM 1612 CB LYS G 113 22. 604 22. 317 52. 045 1 46. 42 G ATOM 1613 CG LYS G 113 23. 113 23. 283 53. 095 1 52. 01 G ATOM 1614 CD LYS G 113 23. 051 24. 718 52. 6 1 56. 64 G ATOM 1615 CE LYS G 113 23. 591 25. 687 53. 648 1 60. 44 G ATOM 1616 NZ LYS G 113 23. 672 27. 088 53. 136 1 61. 8 G ATOM 1617 C LYS G 113 21. 575 20. 092 51. 579 1 38. 75 G ATOM 1618 O LYS G 113 20. 393 19. 917 51. 854 1 36. 51 G ATOM 1619 N LEU G 114 22. 127 19. 618 50. 464 1 38. 95 G ATOM 1620 CA LEU G 114 21. 324 18. 866 49. 498 1 37. 72 G ATOM 1621 CB LEU G 114 22. 174 18. 463 48. 289 1 36. 74 G ATOM 1622 CG LEU G 114 21. 552 18. 577 46. 889 1 36. 88 G ATOM 1623 CD1 LEU G 114 22. 437 17. 843 45. 894 1 32. 18 G ATOM 1624 CD2 LEU G 114 20. 158 18. 018 46. 861 1 31. 94 G ATOM 1625 C LEU G 114 20. 802 17. 605 50. 181 1 37. 79 G ATOM 1626 O LEU G 114 19. 606 17. 311 50. 161 1 37. 58 G ATOM 1627 N LYS G 115 21. 717 16. 873 50. 809 1 38. 7 G ATOM 1628 CA LYS G 115 21. 367 15. 631 51. 489 1 39. 79 G ATOM 1629 CB LYS G 115 22. 628 14. 994 52. 081 1 42 G ATOM 1630 CG LYS G 115 22. 437 13. 567 52. 563 1 47. 44 G ATOM 1631 CD LYS G 115 23. 746 12. 979 53. 061 1 52. 8 G ATOM 1632 CE LYS G 115 23. 508 11. 748 53. 923 1 56. 22 G ATOM 1633 NZ LYS G 115 24. 781 11. 261 54. 522 1 60. 18 G ATOM 1634 C LYS G 115 20. 315 15. 884 52. 566 1 38. 81 G ATOM 1635 O LYS G 115 19. 332 15. 156 52. 663 1 37. 41 G ATOM 1636 N SER G 116 20. 503 16. 932 53. 364 1 41. 71 G ATOM 1637 CA SER G 116 19. 532 17. 251 54. 407 1 42. 56 G ATOM 1638 CB SER G 116 20. 003 18. 441 55. 235 1 43. 79 G ATOM 1639 OG SER G 116 21. 243 18. 158 55. 85 1 48. 75 G ATOM 1640 C SER G 116 18. 169 17. 565 53. 806 1 42 G ATOM 1641 O SER G 116 17. 147 16. 993 54. 201 1 41. 26 G ATOM 1642 N ALA G 117 18. 15 18. 49 52. 853 1 39. 69 G ATOM 1643 CA ALA G 117 16. 894 18. 859 52. 218 1 38. 27 G ATOM 1644 CB ALA G 117 17. 156 19. 774 51. 045 1 35. 05 G ATOM 1645 C ALA G 117 16. 179 17. 6 51. 751 1 37. 46 G ATOM 1646 O ALA G 117 15. 008 17. 398 52. 046 1 36. 27 G ATOM 1647 N ILE G 118 16. 891 16. 743 51. 026 1 37. 13 G ATOM 1648 CA ILE G 118 16. 283 15. 518 50. 516 1 37. 34 G ATOM 1649 CB ILE G 118 17. 251 14. 763 49. 589 1 37. 08 G ATOM 1650 CG2 LE G 118 16. 619 13. 473 49. 137 1 36 G ATOM 1651 CG1 ILE G 118 17. 613 15. 629 48. 386 1 35. 9 G ATOM 1652 CD1 ILE G 118 18. 617 14. 974 47. 476 1 34. 29 G ATOM 1653 C ILE G 118 15. 832 14. 551 51. 618 1 38. 33 G ATOM 16540 ILE G 118 14. 688 14. 096 51. 629 1 37. 68 G ATOM 1655 N LEU G 119 16. 745 14. 231 52. 528 1 40. 34 G ATOM 1656 CA LEU G 119 16. 453 13. 319 53. 634 1 42. 94 G ATOM 1657 CB LEU G 119 17. 721 13. 089 54. 448 1 41. 88 G ATOM 1658 CG LEU G 119 18. 44 11. 747 54. 344 1 44. 04 G ATOM 1659 CD1 LEU G 119 18. 286 11. 144 52. 959 1 41 G ATOM 1660 CD2 LEU G 119 19. 901 11. 967 54. 718 1 40. 75 G ATOM 1661 C LEU G 119 15. 347 13. 844 54. 546 1 45. 44 G ATOM 1662 O LEU G 119 14. 401 13. 119 54. 877 1 44. 1 G ATOM 1663 N SER G 120 15. 467 15. 11 54. 945 1 48. 08 G ATOM 1664 CA SER G 120 14. 478 15. 73 55. 831 1 49. 18 G ATOM 1665 CB SER G 120 15. 003 17. 046 56. 433 1 48. 75 G ATOM 1666 OG SER G 120 15. 221 18. 038 55. 451 1 48. 41 G ATOM 1667 C SER G 120 13. 218 16. 005 55. 056 1 49. 45 G ATOM 1668 O SER G 120 12. 313 16. 666 55. 556 1 51. 96 G ATOM 1669 N ALA G 121 13. 167 15. 491 53. 831 1 50. 43 G ATOM 1670 CA ALA G 121 12. 012 15. 664 52. 954 1 50. 94 G ATOM 1671 CB ALA G 121 10. 821 14. 911 53. 515 1 51. 18 G ATOM 1672 C ALA G 121 11. 636 17. 13 52. 721 1 51. 81 G ATOM 1673 O ALA G 121 10. 46 17. 446 52. 561 1 52. 88 G ATOM 1674 N GLN G 122 12. 632 18. 015 52. 69 1 52. 04 G ATOM 1675 CA GLN G 122 12. 401 19. 445 52. 467 1 52. 99 G ATOM 1676 CB GLN G 122 13. 028 20. 283 53. 593 1 54. 14 G ATOM 1677 CG GLN G 122 12. 69 19. 826 55. 001 1 55. 99 G ATOM 1678 CD GLN G 122 13. 146 20. 813 56. 061 1 58. 03 G ATOM 1679 OE1 GLN G 122 12. 381 21. 676 56. 484 1 61. 26 G ATOM 1680 NE2 GLN G 122 14. 407 20. 701 56. 482 1 54. 82 G ATOM 1681 C GLN G 122 13. 002 19. 892 51. 137 1 53. 62 G ATOM 1682 O GLN G 122 13. 345 21. 064 50. 964 1 53. 68 G ATOM 1683 N SER G 123 13. 143 18. 952 50. 204 1 54. 65 G ATOM 1684 CA SER G 123 13. 709 19. 25 48. 892 1 54. 47 G ATOM 1685 CB SER G 123 14. 946 18. 379 48. 643 1 54. 15 G ATOM 1686 OG SER G 123 15. 486 18. 622 47. 358 1 53. 34 G ATOM 1687 C SER G 123 12. 711 19. 038 47. 755 1 54. 87 G ATOM 1688 O SER G 123 11. 767 18. 255 47. 874 1 52. 41 G ATOM 1689 N ALA G 124 12. 933 19. 743 46. 649 1 55. 45 G ATOM 1690 CA ALA G 124 12. 069 19. 617 45. 482 1 57. 53 G ATOM 1691 CB ALA G 124 12. 405 20. 708 44. 456 1 56. 32 G ATOM 1692 C ALA G 124 12. 288 18. 228 44. 876 1 58. 84 G ATOM 1693 O ALA G 124 11. 528 17. 787 44. 017 1 58. 95 G ATOM 1694 N ALA G 125 13. 33 17. 543 45. 344 1 60. 81 G ATOM 1695 CA ALA G 125 13. 668 16. 209 44. 856 1 63. 15 G ATOM 1696 CB ALA G 125 15. 144 15. 928 45. 105 1 60. 57 G ATOM 1697 C ALA G 125 12. 815 15. 105 45. 481 1 65. 56 G ATOM 1698 O ALA G 125 12. 909 13. 942 45. 088 1 66. 88 G ATOM 1699 N ASN G 126 11. 989 15. 468 46. 456 1 67. 09 G ATOM 1700 CA ASN G 126 11. 126 14. 495 47. 118 1 67. 88 G ATOM 1701 CB ASN G 126 10. 858 14. 931 48. 557 1 68. 1 G ATOM 1702 CG ASN G 126 12. 13 15. 042 49. 374 1 68. 6 G ATOM 1703 OD1 ASN G 126 12. 319 15. 997 50. 125 1 69. 78 G ATOM 1704 ND2 ASN G 126 13. 009 14. 061 49. 234 1 68. 46 G ATOM 1705 C ASN G 126 9. 812 14. 326 46. 361 1 68. 45 G ATOM 17060 ASN G 126 9. 416 13. 166 46. 118 1 70. 22 G ATOM 1707 OXT ASN G 126 9. 193 15. 35 46. 02 1 68. 04 G ATOM 1708 05'ADE C 3 38. 349 10. 821 19. 071 0. 5 95. 81 C ATOM 1709 N9 ADE C 3 37. 26 6. 71 15. 931 0. 5 96. 92 C ATOM 1710 C4 ADE C 3 36. 718 5. 901 14. 961 0. 5 97. 05 C ATOM 1711 N3 ADE C 3 36. 933 5. 959 13. 635 0. 5 96. 81 C ATOM 1712 C2 ADE C 3 36. 235 5. 016 13. 006 0. 5 96. 6 C ATOM 1713 N1 ADE C 3 35. 408 4. 092 13. 511 0. 5 96. 49 C ATOM 1714 C6 ADE C 3 35. 212 4. 062 14. 847 0. 5 96. 76 C ATOM 1715 N6 ADE C 3 34. 383 3. 144 15. 349 0. 5 96. 81 C ATOM 1716 C5 ADE C 3 35. 897 5. 009 15. 629 0. 5 97 C ATOM 1717 N7 ADE C 3 35. 92 5. 251 16. 996 0. 5 97. 31 C ATOM 1718 C8 ADE C 3 36. 739 6. 268 17. 123 0. 5 97. 03 C ATOM 1719 C2'ADE C 3 37. 542 9. 166 15. 508 0. 5 96. 59 C ATOM 1720 C5'ADE C 3 38. 309 9. 479 18. 568 0. 5 96. 37 C ATOM 1721 C4'ADE C 3 39. 108 9. 308 17. 296 0. 5 96. 59 C ATOM 1722 04'ADE C 3 39. 016 7. 924 16. 877 0. 5 96. 45 C ATOM 1723 C1'ADE C 3 38. 2 7. 81 15. 715 0. 5 96. 62 C ATOM 1724 C3'ADE C 3 38. 551 10. 115 16. 125 0. 5 96. 52 C ATOM 1725 03'ADE C 3 39. 59 10. 452 15. 201 0. 5 96. 16 C ATOM 1726 P GUA C 4 39. 409 11. 716 14. 226 0. 5 96. 33 C ATOM 1727 01P GUA C 4 40. 75 12. 333 14. 054 0. 5 96. 34 C ATOM 1728 02P GUA C 4 38. 284 12. 537 14. 742 0. 5 95. 96 C ATOM 1729 05'GUA C 4 38. 965 11. 079 12. 833 0. 5 94. 92 C ATOM 1730 N9 GUA C 4 35. 46 9. 001 11. 304 0. 5 91. 38 C ATOM 1731 C4 GUA C 4 34. 633 7. 925 11. 092 0. 5 90. 91 C ATOM 1732 N3 GUA C 4 34. 446 7. 291 9. 915 0. 5 90. 61 C ATOM 1733 C2 GUA C 4 33. 586 6. 293 10. 023 0. 5 90. 81 C ATOM 1734 N2 GUA C 4 33. 283 5. 554 8. 946 0. 5 90. 73 C ATOM 1735 N1 GUA C 4 32. 959 5. 945 11. 195 0. 5 90. 81 C ATOM 1736 C6 GUA C 4 33. 136 6. 584 12. 417 0. 5 90. 77 C ATOM 1737 06 GUA C 4 32. 519 6. 19 13. 412 0. 5 91. 06 C ATOM 1738 C5 GUA C 4 34. 058 7. 656 12. 315 0. 5 90. 89 C ATOM 1739 N7 GUA C 4 34. 518 8. 543 13. 28 0. 5 91. 15 C ATOM 1740 C8 GUA C 4 35. 348 9. 319 12. 637 0. 5 91. 32 C ATOM 1741 C2'GUA C 4 35. 823 11. 08 9. 964 0. 5 91. 12 C ATOM 1742 C5'GUA C 4 38. 196 11. 834 11. 895 0. 5 93. 11 C ATOM 1743 C4'GUA C 4 38. 123 11. 109 10. 57 0. 5 91. 82 C ATOM 1744 04'GUA C 4 37. 604 9. 778 10. 804 0. 5 91. 61 C ATOM 1745 C1'GUA C 4 36. 277 9. 67 10. 299 0. 5 91. 41 C ATOM 1746 C3'GUA C 4 37. 129 11. 761 9. 611 0. 5 90. 79 C ATOM 1747 03'GUA C 4 37. 482 11. 513 8. 246 0. 5 88. 9 C ATOM 1748 P CYT C 5 36. 702 12. 286 7. 071 0. 5 87. 82 C ATOM 1749 01P CYT C 5 37. 729 12. 879 6. 175 0. 5 87. 55 C ATOM 1750 02P CYT C 5 35. 682 13. 165 7. 693 0. 5 87. 86 C ATOM 1751 05'CYT C 5 35. 939 11. 132 6. 274 0. 5 86. 72 C ATOM 1752 N1 CYT C 5 31. 64 8. 58 7. 971 0. 5 84. 22 C ATOM 1753 C6 CYT C 5 32. 133 9. 406 8. 943 0. 5 84. 72 C ATOM 1754 C2 CYT C 5 30. 61 7. 673 8. 271 0. 5 84. 73 C ATOM 1755 02 CYT C 5 30. 17 6. 934 7. 376 0. 5 84. 67 C ATOM 1756 N3 CYT C 5 30. 121 7. 625 9. 532 0. 5 85. 23 C ATOM 1757 C4 CYT C 5 30. 617 8. 434 10. 473 0. 5 85. 52 C ATOM 1758 N4 CYT C 5 30. 108 8. 346 11. 703 0. 5 85. 87 C ATOM 1759 C5 CYT C 5 31. 657 9. 367 10. 193 0. 5 84. 97 C ATOM 1760 C2'CYT C 5 32. 058 9. 994 5. 933 0. 5 82. 68 C ATOM 1761 C5'CYT C 5 35. 06 10. 227 6. 948 0. 5 84. 54 C ATOM 1762 C4'CYT C 5 34. 346 9. 339 5. 951 0. 5 82. 91 C ATOM 1763 04'CYT C 5 33. 582 8. 351 6. 684 0. 5 83. 18 C ATOM 1764 C1'CYT C 5 32. 186 8. 63 6. 602 0. 5 83. 56 C ATOM 1765 C3'CYT C 5 33. 322 10. 077 5. 095 0. 5 81. 82 C ATOM 1766 03'CYT C 5 33. 17 9. 439 3. 821 0. 5 79. 34 C ATOM 1767 P THY C 6 32. 134 10. 038 2. 745 0. 5 77. 8 C ATOM 1768 01P THY C 6 32. 191 11. 519 2. 837 0. 5 77. 89 C ATOM 1769 02P THY C 6 32. 372 9. 373 1. 435 0. 5 77. 54 C ATOM 1770 05'THY C 6 30. 714 9. 564 3. 289 0. 5 75. 63 C ATOM 1771 N1 THY C 6 27. 172 9. 576 6. 025 0. 5 66. 6 C ATOM 1772 C6 THY C 6 28. 004 10. 643 6. 289 0. 5 66. 13 C ATOM 1773 C2 THY C 6 26. 5 8. 926 7. 038 0. 5 65. 78 C ATOM 1774 02 THY C 6 25. 753 7. 983 6. 843 0. 5 65. 38 C ATOM 1775 N3 THY C 6 26. 737 9. 423 8. 297 0. 5 65. 53 C ATOM 1776 C4 THY C 6 27. 558 10. 479 8. 635 0. 5 65. 49 C ATOM 1777 04 THY C 6 27. 675 10. 807 9. 813 0. 5 63. 67 C ATOM 1778 C5 THY C 6 28. 229 11. 12 7. 522 0. 5 65. 84 C ATOM 1779 C5A THY C 6 29. 139 12. 277 7. 791 0. 5 66. 26 C ATOM 1780 C2'THY C 6 26. 463 10. 102 3. 637 0. 5 68. 29 C ATOM 1781 C5'THY C 6 29. 505 10. 101 2. 762 0. 5 72. 51 C ATOM 1782 C4'THY C 6 28. 42 9. 049 2. 785 0. 5 70. 34 C ATOM 1783 04'THY C 6 28. 22 8. 61 4. 151 0. 5 69. 37 C ATOM 1784 C1'THY C 6 26. 971 9. 084 4. 644 0. 5 68. 01 C ATOM 1785 C3'THY C 6 27. 063 9. 587 2. 34 0. 5 69. 18 C ATOM 1786 03'THY C 6 26. 29 8. 518 1. 784 0. 5 67. 83 C ATOM 1787 P ADE C 7 24. 93 8. 839 0. 991 0. 5 66. 74 C ATOM 1788 O1P ADE C 7 25. 045 8. 185-0. 339 0. 5 66. 62 C ATOM 1789 02P ADE C 7 24. 655 10. 296 1. 071 0. 5 65. 8 C ATOM 1790 05'ADE C 7 23. 825 8. 054 1. 829 0. 5 63. 25 C ATOM 1791 N9 ADE C 7 22. 64 9. 006 5. 127 0. 5 53. 73 C ATOM 1792 C4 ADE C 7 22. 845 9. 3 6. 459 0. 5 52. 02 C ATOM 1793 N3 ADE C 7 22. 541 8. 534 7. 521 0. 5 50. 6 C ATOM 1794 C2 ADE C 7 22. 895 9. 138 8. 656 0. 5 48. 52 C ATOM 1795 N1 ADE C 7 23. 474 10. 33 8. 841 0. 5 49. 35 C ATOM 1796 C6 ADE C 7 23. 768 11. 078 7. 755 0. 5 50. 45 C ATOM 1797 N6 ADE C 7 24. 348 12. 267 7. 943 0. 5 49. 29 C ATOM 1798 C5 ADE C 7 23. 441 10. 55 6. 485 0. 5 51. 86 C ATOM 1799 N7 ADE C 7 23. 6 11. 043 5. 196 0. 5 52. 64 C ATOM 1800 C8 ADE C 7 23. 108 10. 096 4. 431 0. 5 53. 16 C ATOM 1801 C2'ADE C 7 21. 297 7. 889 3. 271 0. 5 56. 56 C ATOM 1802 C5'ADE C 7 24. 002 6. 672 2. 12 0. 5 59. 95 C ATOM 1803 C4'ADE C 7 22. 945 6. 183 3. 082 0. 5 57. 58 C ATOM 1804 04'ADE C 7 23. 111 6. 842 4. 363 0. 5 56. 63 C ATOM 1805 C1'ADE C 7 22. 054 7. 771 4. 59 0. 5 55. 27 C ATOM 1806 C3'ADE C 7 21. 524 6. 522 2. 642 0. 5 56. 98 C ATOM 1807 03'ADE C 7 20. 631 5. 514 3. 137 0. 5 57. 34 C ATOM 1808 P THY C 8 19. 186 5. 313 2. 462 0. 5 56. 86 C ATOM 1809 01P THY C 8 19. 07 6. 26 1. 32 0. 5 57. 35 C ATOM 1810 02P THY C 8 18. 977 3. 861 2. 244 0. 5 56. 26 C ATOM 1811 05'THY C 8 18. 186 5. 798 3. 602 0. 5 57. 5 C ATOM 1812 N1 THY C 8 18. 809 9. 639 7. 189 0. 5 53. 23 C ATOM 1813 C6 THY C 8 19. 075 10. 166 5. 941 0. 5 52. 94 C ATOM 1814 C2 THY C 8 19. 303 10. 23 8. 332 0. 5 52. 24 C ATOM 1815 02 THY C 8 19. 095 9. 794 9. 453 0. 5 50. 44 C ATOM 1816 N3 THY C 8 20. 057 11. 36 8. 113 0. 5 51. 29 C ATOM 1817 C4 THY C 8 20. 359 11. 941 6. 895 0. 5 51. 98 C ATOM 1818 04 THY C 8 21. 05 12. 957 6. 855 0. 5 51. 41 C ATOM 1819 C5 THY C 8 19. 808 11. 268 5. 738 0. 5 52. 16 C ATOM 1820 C5A THY C 8 20. 076 11. 827 4. 376 0. 5 51. 52 C ATOM 1821 C2'THY C 8 16. 707 8. 433 6. 485 0. 5 53. 36 C ATOM 1822 C5'THY C 8 18. 591 6. 807 4. 521 0. 5 55. 55 C ATOM 1823 C4'THY C 8 18. 013 6. 54 5. 89 0. 5 54. 02 C ATOM 1824 04'THY C 8 18. 761 7. 322 6. 849 0. 5 53. 87 C ATOM 1825 C1'THY C 8 17. 983 8. 418 7. 321 0. 5 53. 3 C ATOM 1826 C3'THY C 8 16. 565 6. 985 6. 05 0. 5 53. 5 C ATOM 1827 03'THY C 8 15. 908 6. 176 7. 029 0. 5 52. 48 C ATOM 1828 P THY C 9 14. 428 6. 563 7. 527 0. 5 51. 51 C ATOM 1829 01P THY C 9 13. 929 7. 668 6. 672 0. 5 51. 12 C ATOM 1830 02P THY C 9 13. 645 5. 307 7. 635 0. 5 50. 81 C ATOM 1831 05'THY C 9 14. 68 7. 14 8. 994 0. 5 50. 8 C ATOM 1832 N1 THY C 9 15. 939 10. 587 10. 205 0. 5 44. 98 C ATOM 1833 C6 THY C 9 15. 422 10. 567 8. 927 0. 5 44. 81 C ATOM 1834 C2 THY C 9 16. 815 11. 587 10. 605 0. 5 46. 26 C ATOM 1835 02 THY C 9 17. 3 11. 651 11. 725 0. 5 45. 56 C ATOM 1836 N3 THY C 9 17. 107 12. 516 9. 636 0. 5 45. 92 C ATOM 1837 C4 THY C 9 16. 629 12. 553 8. 343 0. 5 45. 68 C ATOM 1838 04 THY C 9 16. 99 13. 453 7. 585 0. 5 44. 2 C ATOM 1839 C5 THY C 9 15. 717 11. 484 7. 991 0. 5 45. 35 C ATOM 1840 C5A THY C 9 15. 144 11. 451 6. 609 0. 5 44. 62 C ATOM 1841 C2'THY C 9 14. 148 9. 01 11. 216 0. 5 43. 14 C ATOM 1842 C5'THY C 9 15. 553 6. 455 9. 893 0. 5 46. 91 C ATOM 1843 C4'THY C 9 15. 683 7. 19 11. 211 0. 5 44. 79 C ATOM 1844 04'THY C 9 16. 431 8. 421 11. 03 0. 5 43. 82 C ATOM 1845 C1'THY C 9 15. 576 9. 545 11. 206 0. 5 44. 12 C ATOM 1846 C3'THY C 9 14. 344 7. 623 11. 809 0. 5 44. 07 C ATOM 1847 03'THY C 9 14. 456 7. 636 13. 241 0. 5 43. 63 C ATOM 1848 P THY C 10 13. 141 7. 773 14. 164 0. 5 44. 6 C ATOM 1849 01P THY C 10 11. 93 7. 874 13. 311 0. 5 42. 92 C ATOM 1850 02P THY C 10 13. 213 6. 723 15. 21 0. 5 45. 02 C ATOM 1851 05'THY C 10 13. 353 9. 179 14. 882 0. 5 42. 57 C ATOM 1852 N1 THY C 10 14. 518 13. 86 12. 906 0. 5 38. 44 C ATOM 1853 C6 THY C 10 13. 738 13. 131 12. 034 0. 5 37. 87 C ATOM 1854 C2 THY C 10 15. 19 14. 988 12. 492 0. 5 38. 95 C ATOM 1855 02 THY C 10 15. 878 15. 661 13. 238 0. 5 40. 82 C ATOM 1856 N3 THY C 10 15. 028 15. 297 11. 163 0. 5 40. 24 C ATOM 1857 C4 THY C 10 14. 272 14. 608 10. 232 0. 5 39. 83 C ATOM 1858 04 THY C 10 14. 224 15. 005 9. 069 0. 5 41. 41 C ATOM 1859 C5 THY C 10 13. 587 13. 437 10. 738 0. 5 39. 54 C ATOM 1860 C5A THY C 10 12. 745 12. 626 9. 8 0. 5 39. 7 C ATOM 1861 C2'THY C 10 13. 326 13. 217 15. 033 0. 5 35. 72 C ATOM 1862 C5'THY C 10 13. 963 10. 253 14. 173 0. 5 38. 95 C ATOM 1863 C4'THY C 10 14. 616 11. 23 15. 125 0. 5 36. 12 C ATOM 1864 04'THY C 10 15. 336 12. 192 14. 322 0. 5 35. 19 C ATOM 1865 C1'THY C 10 14. 653 13. 44 14. 316 0. 5 36. 2 C ATOM 1866 C3'THY C 10 13. 633 12. 051 15. 953 0. 5 34. 81 C ATOM 1867 03'THY C 10 14. 266 12. 485 17. 166 0. 5 31. 42 C ATOM 1868 P ADE C 11 13. 49 13. 479 18. 166 0. 5 29. 46 C ATOM 1869 01P ADE C 11 13. 963 13. 142 19. 533 0. 5 27. 95 C ATOM 1870 02P ADE C 11 12. 039 13. 42 17. 864 0. 5 26. 27 C ATOM 1871 05'ADE C 11 14. 06 14. 923 17. 786 0. 5 27. 75 C ATOM 1872 N9 ADE C 11 13. 731 17. 432 14. 823 0. 5 29. 43 C ATOM 1873 C4 ADE C 11 13. 808 18. 014 13. 576 0. 5 29. 5 C ATOM 1874 N3 ADE C 11 14. 577 19. 052 13. 203 0. 5 30. 56 C ATOM 1875 C2 ADE C 11 14. 398 19. 336 11. 909 0. 5 31. 05 C ATOM 1876 N1 ADE C 11 13. 598 18. 747 11. 012 0. 5 28. 13 C ATOM 1877 C6 ADE C 11 12. 839 17. 705 11. 413 0. 5 30. 37 C ATOM 1878 N6 ADE C 11 12. 052 17. 115 10. 508 0. 5 30. 23 C ATOM 1879 C5 ADE C 11 12. 934 17. 303 12. 77 0. 5 30. 39 C ATOM 1880 N7 ADE C 11 12. 312 16. 296 13. 495 0. 5 30. 12 C ATOM 1881 C8 ADE C 11 12. 813 16. 419 14. 703 0. 5 31. 21 C ATOM 1882 C2'ADE C 11 13. 782 17. 87 17. 359 0. 5 26. 82 C ATOM 1883 C5'ADE C 11 15. 468 15. 172 17. 836 0. 5 26. 82 C ATOM 1884 C4'ADE C 11 15. 801 16. 625 17. 566 0. 5 26. 96 C ATOM 1885 04'ADE C 11 15. 606 16. 949 16. 162 0. 5 29. 02 C ATOM 1886 C1'ADE C 11 14. 498 17. 835 16. 011 0. 5 28. 86 C ATOM 1887 C3'ADE C 11 14. 932 17. 629 18. 328 0. 5 27. 28 C ATOM 1888 03'ADE C 11 15. 713 18. 814 18. 569 0. 5 24. 86 C ATOM 1889 P THY C 12 15. 256 19. 886 19. 678 0. 5 24. 34 C ATOM 1890 01 P THY C 12 14. 005 19. 439 20. 347 0. 5 24. 71 C ATOM 1891 02P THY C 12 16. 452 20. 218 20. 49 0. 5 26. 75 C ATOM 1892 05'THY C 12 14. 891 21. 178 18. 827 0. 5 27. 46 C ATOM 1893 N1 THY C 12 12. 04 21. 315 14. 264 0. 5 33. 18 C ATOM 1894 C6 THY C 12 11. 376 20. 341 14. 981 0. 5 31. 69 C ATOM 1895 C2 THY C 12 11. 931 21. 401 12. 899 0. 5 33. 34 C ATOM 1896 02 THY C 12 12. 519 22. 248 12. 246 0. 5 31. 16 C ATOM 1897 N3 THY C 12 11. 109 20. 462 12. 327 0. 5 32. 9 C ATOM 1898 C4 THY C 12 10. 403 19. 468 12. 974 0. 5 32. 97 C ATOM 1899 04 THY C 12 9. 694 18. 703 12. 321 0. 5 36. 24 C ATOM 1900 C5 THY C 12 10. 573 19. 428 14. 417 0. 5 32. 65 C ATOM 1901 C5A THY C 12 9. 857 18. 376 15. 208 0. 5 31. 62 C ATOM 1902 C2'THY C 12 12. 313 23. 074 16. 089 0. 5 31. 22 C ATOM 1903 C5'THY C 12 14. 089 21. 049 17. 671 0. 5 31. 18 C ATOM 1904 C4'THY C 12 14. 403 22. 144 16. 681 0. 5 30. 79 C ATOM 1905 04'THY C 12 14. 064 21. 66 15. 369 0. 5 31. 25 C ATOM 1906 C1'THY C 12 12. 9 22. 316 14. 907 0. 5 32. 16 C ATOM 1907 C3'THY C 12 13. 565 23. 402 16. 882 0. 5 30. 39 C ATOM 1908 03'THY C 12 14. 236 24. 474 16. 218 0. 5 30. 04 C ATOM 1909 P ADE C 13 14. 593 25. 825 17. 003 0. 5 31. 06 C ATOM 1910 01 P ADE C 13 16. 026 25. 705 17. 374 0. 5 26. 48 C ATOM 1911 02P ADE C 13 13. 582 26. 129 18. 047 0. 5 28. 76 C ATOM 1912 05'ADE C 13 14. 482 26. 927 15. 86 0. 5 29. 2 C ATOM 1913 N9 ADE C 13 11. 669 26. 557 13. 66 0. 5 30. 07 C ATOM 1914 C4 ADE C 13 11. 002 25. 666 12. 846 0. 5 31. 2 C ATOM 1915 N3 ADE C 13 11. 095 25. 554 11. 512 0. 5 32. 76 C ATOM 1916 C2 ADE C 13 10. 3 24. 586 11. 062 0. 5 33. 06 C ATOM 1917 N1 ADE C 13 9. 482 23. 77 11. 741 0. 5 30. 97 C ATOM 1918 C6 ADE C 13 9. 41 23. 899 13. 081 0. 5 32. 07 C ATOM 1919 N6 ADE C 13 8. 594 23. 078 13. 753 0. 5 30. 6 C ATOM 1920 C5 ADE C 13 10. 208 24. 902 13. 687 0. 5 31. 2 C ATOM 1921 N7 ADE C 13 10. 368 25. 302 15. 008 0. 5 30. 2 C ATOM 1922 C8 ADE C 13 11. 242 26. 282 14. 939 0. 5 30. 66 C ATOM 1923 C2'ADE C 13 12. 863 28. 721 14. 219 0. 5 28. 07 C ATOM 1924 C5'ADE C 13 15. 486 27. 023 14. 851 0. 5 28 C ATOM 1925 C4'ADE C 13 14. 954 27. 742 13. 632 0. 5 28. 51 C ATOM 1926 04'ADE C 13 13. 895 26. 953 13. 03 0. 5 26. 77 C ATOM 1927 C1'ADE C 13 12. 629 27. 581 13. 231 0. 5 28. 76 C ATOM 1928 C3'ADE C 13 14. 312 29. 091 13. 959 0. 5 28. 95 C ATOM 1929 03'ADE C 13 14. 499 29. 988 12. 857 0. 5 31. 65 C ATOM 1930 P ADE C 14 14. 184 31. 557 13. 027 0. 5 29. 87 C ATOM 1931 01P ADE C 14 13. 711 31. 812 14. 406 0. 5 30. 43 C ATOM 1932 02P ADE C 14 15. 344 32. 317 12. 495 0. 5 29. 97 C ATOM 1933 05'ADE C 14 12. 933 31. 751 12. 07 0. 5 32. 04 C ATOM 1934 N9 ADE C 14 8. 53 29. 01 12. 184 0. 5 36. 08 C ATOM 1935 C4 ADE C 14 7. 853 27. 83 12. 017 0. 5 36. 01 C ATOM 1936 N3 ADE C 14 7. 393 27. 307 10. 865 0. 5 36 C ATOM 1937 C2 ADE C 14 6. 789 26. 144 11. 086 0. 5 33. 04 C ATOM 1938 N1 ADE C 14 6. 607 25. 493 12. 241 0. 5 34. 86 C ATOM 1939 C6 ADE C 14 7. 083 26. 046 13. 381 0. 5 35. 15 C ATOM 1940 N6 ADE C 14 6. 91 25. 397 14. 532 0. 5 32. 01 C ATOM 1941 C5 ADE C 14 7. 742 27. 279 13. 28 0. 5 35. 56 C ATOM 1942 N7 ADE C 14 8. 333 28. 101 14. 229 0. 5 36. 19 C ATOM 1943 C8 ADE C 14 8. 784 29. 112 13. 53 0. 5 36. 71 C ATOM 1944 C2'ADE C 14 8. 861 31. 404 11. 597 0. 5 36. 57 C ATOM 1945 C5'ADE C 14 11. 91 30. 769 12. 071 0. 5 35. 5 C ATOM 1946 C4'ADE C 14 11. 046 30. 876 10. 839 0. 5 36. 92 C ATOM 1947 04'ADE C 14 10. 253 29. 673 10. 786 0. 5 34. 96 C ATOM 1948 C1'ADE C 14 8. 904 29. 954 11. 136 0. 5 36. 37 C ATOM 1949 C3'ADE C 14 10. 042 32. 023 10. 877 0. 5 38. 22 C ATOM 1950 03'ADE C 14 9. 689 32. 415 9. 546 0. 5 42. 76 C ATOM 1951 P GUA C 15 8. 423 33. 378 9. 305 0. 5 44. 84 C ATOM 1952 01P GUA C 15 8. 513 33. 829 7. 896 0. 5 45. 83 C ATOM 1953 02P GUA C 15 8. 357 34. 384 10. 394 0. 5 45. 13 C ATOM 1954 05'GUA C 15 7. 163 32. 41 9. 443 0. 5 49. 13 C ATOM 1955 N9 GUA C 15 4. 763 30. 171 11. 891 0. 5 66. 2 C ATOM 1956 C4 GUA C 15 4. 333 28. 984 12. 426 0. 5 66. 73 C ATOM 1957 N3 GUA C 15 3. 559 28. 072 11. 798 0. 5 66. 93 C ATOM 1958 C2 GUA C 15 3. 289 27. 034 12. 567 0. 5 67. 37 C ATOM 1959 N2 GUA C 15 2. 529 26. 036 12. 086 0. 5 67. 02 C ATOM 1960 N1 GUA C 15 3. 743 26. 9 13. 859 0. 5 68. 01 C ATOM 1961 C6 GUA C 15 4. 54 27. 827 14. 529 0. 5 68. 04 C ATOM 1962 06 GUA C 15 4. 888 27. 608 15. 694 0. 5 68. 78 C ATOM 1963 C5 GUA C 15 4. 84 28. 949 13. 706 0. 5 67. 47 C ATOM 1964 N7 GUA C 15 5. 595 30. 087 13. 966 0. 5 67. 59 C ATOM 1965 C8 GUA C 15 5. 529 30. 779 12. 859 0. 5 66. 94 C ATOM 1966 C2'GUA C 15 4. 41 32. 157 10. 296 0. 5 64. 77 C ATOM 1967 C5'GUA C 15 6. 881 31. 438 8. 436 0. 5 56. 57 C ATOM 1968 C4'GUA C 15 5. 436 30. 991 8. 492 0. 5 61. 13 C ATOM 1969 04'GUA C 15 5. 234 30. 058 9. 585 0. 5 62. 87 C ATOM 1970 C1'GUA C 15 4. 408 30. 667 10. 566 0. 5 65. 01 C ATOM 1971 C3'GUA C 15 4. 475 32. 15 8. 779 0. 5 64. 31 C ATOM 1972 03'GUA C 15 3. 186 31. 831 8. 23 0. 5 67. 83 C ATOM 1973 P CYT C 16 1. 939 32. 828 8. 446 0. 5 70. 54 C ATOM 1974 01 P CYT C 16 1. 659 33. 445 7. 124 0. 5 70. 46 C ATOM 1975 02P CYT C 16 2. 179 33. 7 9. 624 0. 5 69. 54 C ATOM 1976 05'CYT C 16 0. 733 31. 843 8. 789 0. 5 72. 41 C ATOM 1977 N1 CYT C 16-0. 129 30. 112 11. 945 0. 5 81. 58 C ATOM 1978 C6 CYT C 16 0. 824 31. 092 11. 936 0. 5 82. 13 C ATOM 1979 C2 CYT C 16-0. 251 29. 258 13. 044 0. 5 82. 13 C ATOM 1980 02 CYT C 16-1. 114 28. 369 13. 016 0. 5 82. 65 C ATOM 1981 N3 CYT C 16 0. 572 29. 419 14. 106 0. 5 82. 11 C ATOM 1982 C4 CYT C 16 1. 491 30. 385 14. 096 0. 5 82. 16 C ATOM 1983 N4 CYT C 16 2. 272 30. 513 15. 173 0. 5 81. 98 C ATOM 1984 C5 CYT C 16 1. 648 31. 264 12. 982 0. 5 82. 28 C ATOM 1985 C2'CYT C 16-1. 682 31. 192 10. 238 0. 5 79. 74 C ATOM 1986 C5'CYT C 16 0. 472 30. 709 7. 965 0. 5 75. 39 C ATOM 1987 C4'CYT C 16-0. 706 29. 917 8. 488 0. 5 77. 99 C ATOM 1988 04'CYT C 16-0. 35 29. 298 9. 749 0. 5 78. 87 C ATOM 1989 C1'CYT C 16-1. 053 29. 93 10. 813 0. 5 80. 28 C ATOM 1990 C3'CYT C 16-1. 93 30. 778 8. 799 0. 5 79. 14 C ATOM 1991 03'CYT C 16-3. 111 29. 962 8. 81 0. 5 79. 56 C ATOM 1992 05'GUA D 3-1. 229 25. 041 23. 695 0. 5 86. 23 D ATOM 1993 N9 GUA D 3-0. 844 26. 609 19. 385 0. 5 86. 78 D ATOM 1994 C4 GUA D 3-1. 037 27. 484 18. 34 0. 5 87. 03 D ATOM 1995 N3 GUA D 3-1. 895 27. 315 17. 312 0. 5 87. 28 D ATOM 1996 C2 GUA D 3-1. 853 28. 329 16. 459 0. 5 87. 26 D ATOM 1997 N2 GUA D 3-2. 644 28. 326 15. 377 0. 5 87. 23 D ATOM 1998 N1 GUA D 3-1. 032 29. 419 16. 603 0. 5 87. 24 D ATOM 1999 C6 GUA D 3-0. 139 29. 617 17. 651 0. 5 87. 25 D ATOM 2000 06 GUA D 3 0. 559 30. 64 17. 68 0. 5 86. 77 D ATOM 2001 C5 GUA D 3-0. 176 28. 535 18. 58 0. 5 87. 06 D ATOM 2002 N7 GUA D 3 0. 539 28. 329 19. 752 0. 5 86. 71 D ATOM 2003 C8 GUA D 3 0. 111 27. 176 20. 194 0. 5 86. 64 D ATOM 2004 C2'GUA D 3-0. 609 24. 12 19. 453 0. 5 87. 05 D ATOM 2005 C5'GUA D 3-0. 722 24. 269 22. 604 0. 5 86. 38 D ATOM 2006 C4'GUA D 3-1. 761 24. 03 21. 534 0. 5 86. 87 D ATOM 2007 04'GUA D 3-2. 058 25. 299 20. 897 0. 5 87 D ATOM 2008 C1'GUA D 3-1. 52 25. 329 19. 578 0. 5 86. 85 D ATOM 2009 C3'GUA D 3-1. 244 23. 132 20. 411 0. 5 87. 04 D ATOM 2010 03'GUA D 3-2. 307 22. 399 19. 787 0. 5 86. 74 D ATOM 2011 P CYT D 4-1. 985 21. 007 19. 042 0. 5 86. 59 D ATOM 2012 O1P CYT D 4-3. 159 20. 118 19. 235 0. 5 86. 74 D ATOM 2013 02P CYT D 4-0. 641 20. 55 19. 479 0. 5 86. 87 D ATOM 2014 05'CYT D 4-1. 905 21. 392 17. 494 0. 5 86. 83 D ATOM 2015 N1 CYT D 4 0. 411 23. 346 15. 427 0. 5 86. 59 D ATOM 2016 C6 CYT D 4 0. 849 22. 964 16. 666 0. 5 87. 12 D ATOM 2017 C2 CYT D 4 0. 93 24. 497 14. 823 0. 5 86. 7 D ATOM 2018 02 CYT D 4 0. 523 24. 82 13. 699 0. 5 86. 48 D ATOM 2019 N3 CYT D 4 1. 863 25. 227 15. 473 0. 5 87. 01 D ATOM 2020 C4 CYT D 4 2. 284 24. 849 16. 679 0. 5 87. 19 D ATOM 2021 N4 CYT D 4 3. 208 25. 606 17. 278 0. 5 87. 71 D ATOM 2022 C5 CYT D 4 1. 778 23. 68 17. 322 0. 5 87. 36 D ATOM 2023 C2'CYT D 4-0. 592 21. 059 14. 869 0. 5 85. 35 D ATOM 2024 C5'CYT D 4-3. 091 21. 693 16. 756 0. 5 85. 92 D ATOM 2025 C4'CYT D 4-2. 786 21. 885 15. 284 0. 5 85. 72 D ATOM 2026 04'CYT D 4-1. 898 23. 017 15. 114 0. 5 86. 25 D ATOM 2027 C1'CYT D 4-0. 611 22. 572 14. 698 0. 5 86. 27 D ATOM 2028 C3'CYT D 4-2. 052 20. 708 14. 641 0. 5 84. 76 D ATOM 2029 03'CYT D 4-2. 362 20. 669 13. 239 0. 5 82. 66 D ATOM 2030 P THY D 5-2. 084 19. 333 12. 383 0. 5 81. 3 D ATOM 2031 01 P THY D 5-1. 137 18. 484 13. 149 0. 5 81. 64 D ATOM 2032 02P THY D 5-3. 392 18. 774 11. 954 0. 5 81. 41 D ATOM 2033 05'THY D 5-1. 325 19. 875 11. 092 0. 5 78. 71 D ATOM 2034 N1 THY D 5 3. 089 22. 429 11. 051 0. 5 71. 31 D ATOM 2035 C6 THY D 5 2. 768 21. 749 12. 207 0. 5 70. 68 D ATOM 2036 C2 THY D 5 4. 149 23. 301 11. 007 0. 5 70. 83 D ATOM 2037 02 THY D 5 4. 463 23. 92 10. 003 0. 5 71. 11 D ATOM 2038 N3 THY D 5 4. 833 23. 424 12. 193 0. 5 70. 31 D ATOM 2039 C4 THY D 5 4. 566 22. 775 13. 386 0. 5 70. 21 D ATOM 2040 04 THY D 5 5. 267 22. 985 14. 372 0. 5 69. 95 D ATOM 2041 C5 THY D 5 3. 439 21. 876 13. 356 0. 5 70. 45 D ATOM 2042 C5A THY D 5 3. 072 21. 129 14. 599 0. 5 70. 27 D ATOM 2043 C2'THY D 5 2. 262 20. 759 9. 401 0. 5 71. 43 D ATOM 2044 C5'THY D 5-0. 326 20. 877 11. 231 0. 5 75. 44 D ATOM 2045 C4'THY D 5 0. 052 21. 468 9. 892 0. 5 72. 65 D ATOM 2046 04'THY D 5 0. 944 22. 571 10. 161 0. 5 72. 38 D ATOM 2047 C1'THY D 5 2. 285 22. 22 9. 835 0. 5 71. 83 D ATOM 2048 C3'THY D 5 0. 828 20. 546 8. 958 0. 5 71. 44 D ATOM 2049 03'THY D 5 0. 638 20. 944 7. 593 0. 5 68. 58 D ATOM 2050 P THY D 6 1. 498 20. 244 6. 425 0. 5 66. 2 D ATOM 2051 01P THY D 6 1. 843 18. 873 6. 879 0. 5 66. 84 D ATOM 2052 02P THY D 6 0. 764 20. 429 5. 149 0. 5 67. 27 D ATOM 2053 05'THY D 6 2. 838 21. 108 6. 356 0. 5 64. 95 D ATOM 2054 N1 THY D 6 6. 305 21. 885 8. 184 0. 5 56. 21 D ATOM 2055 C6 THY D 6 5. 66 20. 819 8. 775 0. 5 54. 88 D ATOM 2056 C2 THY D 6 7. 241 22. 626 8. 878 0. 5 55. 16 D ATOM 2057 02 THY D 6 7. 835 23. 571 8. 391 0. 5 55. 5 D ATOM 2058 N3 THY D 6 7. 456 22. 223 10. 169 0. 5 54. 32 D ATOM 2059 C4 THY D 6 6. 847 21. 176 10. 827 0. 5 52. 94 D ATOM 2060 04 THY D 6 7. 143 20. 941 11. 996 0. 5 51. 61 D ATOM 2061 C5 THY D 6 5. 878 20. 432 10. 042 0. 5 53. 66 D ATOM 2062 C5A THY D 6 5. 17 19. 274 10. 672 0. 5 52. 82 D ATOM 2063 C2'THY D 6 5. 707 21. 238 5. 743 0. 5 58. 25 D ATOM 2064 C5'THY D 6 2. 777 22. 488 6. 004 0. 5 62. 25 D ATOM 2065 C4'THY D 6 4. 135 23. 021 5. 604 0. 5 60. 13 D ATOM 2066 04'THY D 6 4. 966 23. 232 6. 774 0. 5 59. 43 D ATOM 2067 C1'THY D 6 6. 038 22. 297 6. 784 0. 5 57. 55 D ATOM 2068 C3'THY D 6 4. 934 22. 06 4. 723 0. 5 59. 03 D ATOM 2069 03'THY D 6 5. 805 22. 831 3. 885 0. 5 57. 54 D ATOM 2070 P ADE D 7 6. 707 22. 109 2. 769 0. 5 56. 97 D ATOM 2071 01 P ADE D 7 6. 074 22. 378 1. 453 0. 5 57. 6 D ATOM 2072 02P ADE D 7 6. 965 20. 707 3. 183 0. 5 56. 58 D ATOM 2073 05'ADE D 7 8. 078 22. 921 2. 839 0. 5 54. 84 D ATOM 2074 N9 ADE D 7 10. 163 22. 11 5. 795 0. 5 51. 82 D ATOM 2075 C4 ADE D 7 10. 423 21. 909 7. 134 0. 5 50. 63 D ATOM 2076 N3 ADE D 7 11. 087 22. 727 7. 968 0. 5 50. 04 D ATOM 2077 C2 ADE D 7 11. 144 22. 204 9. 194 0. 5 49. 2 D ATOM 2078 N1 ADE D 7 10. 651 21. 044 9. 647 0. 5 48. 29 D ATOM 2079 C6 ADE D 7 9. 99 20. 242 8. 784 0. 5 49. 54 D ATOM 2080 N6 ADE D 7 9. 498 19. 084 9. 24 0. 5 46. 64 D ATOM 2081 C5 ADE D 7 9. 859 20. 684 7. 449 0. 5 49. 94 D ATOM 2082 N7 ADE D 7 9. 253 20. 123 6. 334 0. 5 51. 3 D ATOM 2083 C8 ADE D 7 9. 46 21. 005 5. 384 0. 5 51. 71 D ATOM 2084 C2'ADE D 7 10. 931 23. 012 3. 547 0. 5 51. 55 D ATOM 2085 C5'ADE D 7 8. 067 24. 332 3. 06 0. 5 52. 87 D ATOM 2086 C4'ADE D 7 9. 367 24. 804 3. 68 0. 5 51. 62 D ATOM 2087 04'ADE D 7 9. 52 24. 228 5. 002 0. 5 52. 18 D ATOM 2088 C1'ADE D 7 10. 577 23. 272 5. 004 0. 5 51. 07 D ATOM 2089 C3'ADE D 7 10. 604 24. 35 2. 907 0. 5 50. 19 D ATOM 2090 03'ADE D 7 11. 666 25. 296 3. 083 0. 5 47. 49 D ATOM 2091 P THY D 8 12. 949 25. 257 2. 112 0. 5 47. 46 D ATOM 2092 01P THY D 8 12. 812 24. 053 1. 247 0. 5 45. 01 D ATOM 2093 02P THY D 8 13. 12 26. 598 1. 496 0. 5 47. 03 D ATOM 2094 05'THY D 8 14. 168 25. 023 3. 105 0. 5 45. 04 D ATOM 2095 N1 THY D 8 14. 605 21. 537 6. 981 0. 5 35. 53 D ATOM 2096 C6 THY D 8 14. 036 20. 884 5. 91 0. 5 35. 08 D ATOM 2097 C2 THY D 8 14. 435 21. 081 8. 265 0. 5 33. 6 D ATOM 2098 02 THY D 8 14. 918 21. 633 9. 229 0. 5 32. 43 D ATOM 2099 N3 THY D 8 13. 671 19. 95 8. 378 0. 5 32. 58 D ATOM 2100 C4 THY D 8 13. 068 19. 243 7. 357 0. 5 34. 69 D ATOM 2101 04 THY D 8 12. 402 18. 234 7. 617 0. 5 32. 77 D ATOM 2102 C5 THY D 8 13. 289 19. 777 6. 028 0. 5 34. 52 D ATOM 2103 C5A THY D 8 12. 68 19. 078 4. 854 0. 5 34. 63 D ATOM 2104 C2'THY D 8 16. 416 22. 705 5. 65 0. 5 37. 63 D ATOM 2105 C5'THY D 8 14. 01 24. 161 4. 215 0. 5 41. 52 D ATOM 2106 C4'THY D 8 14. 951 24. 543 5. 33 0. 5 37. 85 D ATOM 2107 04'THY D 8 14. 51 23. 814 6. 495 0. 5 36. 81 D ATOM 2108 C1'THY D 8 15. 409 22. 76 6. 792 0. 5 36. 42 D ATOM 2109 C3'THY D 8 16. 401 24. 123 5. 108 0. 5 37. 27 D ATOM 2110 03'THY D 8 17. 3 24. 996 5. 808 0. 5 35. 49 D ATOM 2111 P ADE D 9 18. 882 24. 677 5. 825 0. 5 38. 08 D ATOM 2112 01P ADE D 9 19. 602 25. 953 5. 606 0. 5 33. 66 D ATOM 2113 02P ADE D 9 19. 137 23. 53 4. 915 0. 5 36. 61 D ATOM 2114 05'ADE D 9 19. 157 24. 239 7. 34 0. 5 36. 02 D ATOM 2115 N9 ADE D 9 18. 423 20. 982 9. 159 0. 5 36. 75 D ATOM 2116 C4 ADE D 9 17. 781 19. 897 9. 712 0. 5 37. 75 D ATOM 2117 N3 ADE D 9 17. 632 19. 617 11. 019 0. 5 37. 96 D ATOM 2118 C2 ADE D 9 16. 928 18. 495 11. 185 0. 5 38. 5 D ATOM 2119 N1 ADE D 9 16. 396 17. 681 10. 263 0. 5 38. 45 D ATOM 2120 C6 ADE D 9 16. 564 17. 991 8. 957 0. 5 38. 65 D ATOM 2121 N6 ADE D 9 16. 03 17. 181 8. 038 0. 5 39. 64 D ATOM 2122 C5 ADE D 9 17. 296 19. 16 8. 646 0. 5 37. 34 D ATOM 2123 N7 ADE D 9 17. 646 19. 754 7. 441 0. 5 37. 01 D ATOM 2124 C8 ADE D 9 18. 317 20. 824 7. 799 0. 5 37. 7 D ATOM 2125 C2'ADE D 9 20. 413 22. 576 9. 505 0. 5 34. 51 D ATOM 2126 C5'ADE D 9 18. 677 25. 052 8. 415 0. 5 34. 34 D ATOM 2127 C4'ADE D 9 18. 926 24. 416 9. 767 0. 5 35. 16 D ATOM 2128 04'ADE D 9 18. 163 23. 191 9. 898 0. 5 34. 72 D ATOM 2129 C1'ADE D 9 19. 04 22. 07 9. 92 0. 5 35. 06 D ATOM 2130 C3'ADE D 9 20. 376 24. 003 10. 027 0. 5 34. 47 D ATOM 2131 03'ADE D 9 20. 631 24. 073 11. 444 0. 5 35. 66 D ATOM 2132 P ADE D 10 22. 14 24. 015 12. 006 0. 5 34. 26 D ATOM 2133 01P ADE D 10 23. 064 23. 792 10. 872 0. 5 33. 61 D ATOM 2134 02P ADE D 10 22. 363 25. 162 12. 926 0. 5 33. 89 D ATOM 2135 05'ADE D 10 22. 142 22. 702 12. 901 0. 5 39. 24 D ATOM 2136 N9 ADE D 10 20. 553 17. 971 11. 918 0. 5 45. 88 D ATOM 2137 C4 ADE D 10 19. 799 16. 872 11. 593 0. 5 46. 46 D ATOM 2138 N3 ADE D 10 19. 179 16. 031 12. 437 0. 5 47. 05 D ATOM 2139 C2 ADE D 10 18. 534 15. 085 11. 762 0. 5 47. 31 D ATOM 2140 N1 ADE D 10 18. 445 14. 9 10. 44 0. 5 46. 24 D ATOM 2141 C6 ADE D 10 19. 081 15. 765 9. 621 0. 5 45. 71 D ATOM 2142 N6 ADE D 10 18. 992 15. 58 8. 304 0. 5 46. 94 D ATOM 2143 C5 ADE D 10 19. 8 16. 81 10. 211 0. 5 45. 89 D ATOM 2144 N7 ADE D 10 20. 547 17. 848 9. 674 0. 5 45. 44 D ATOM 2145 C8 ADE D 10 20. 974 18. 504 10. 724 0. 5 45. 76 D ATOM 2146 C2'ADE D 10 22. 309 18. 769 13. 499 0. 5 41. 62 D ATOM 2147 C5'ADE D 10 21. 273 21. 622 12. 59 0. 5 41. 01 D ATOM 2148 C4'ADE D 10 21. 043 20. 755 13. 805 0. 5 41. 58 D ATOM 2149 04'ADE D 10 20. 138 19. 709 13. 397 0. 5 42. 74 D ATOM 2150 C1'ADE D 10 20. 832 18. 473 13. 264 0. 5 44. 15 D ATOM 2151 C3'ADE D 10 22. 278 20. 032 14. 338 0. 5 40. 85 D ATOM 2152 03'ADE D 10 22. 109 19. 748 15. 736 0. 5 39. 79 D ATOM 2153 P ADE D 11 23. 219 18. 888 16. 532 0. 5 37. 4 D ATOM 2154 01P ADE D 11 23. 173 19. 383 17. 929 0. 5 37. 89 D ATOM 2155 02P ADE D 11 24. 504 18. 92 15. 793 0. 5 38. 93 D ATOM 2156 05'ADE D 11 22. 621 17. 408 16. 502 0. 5 36. 44 D ATOM 2157 N9 ADE D 11 22. 059 14. 552 13. 865 0. 5 35. 62 D ATOM 2158 C4 ADE D 11 21. 583 13. 834 12. 788 0. 5 35. 8 D ATOM 2159 N3 ADE D 11 20. 726 12. 796 12. 813 0. 5 36. 55 D ATOM 2160 C2 ADE D 11 20. 49 12. 348 11. 579 0. 5 36. 49 D ATOM 2161 N1 ADE D 11 20. 973 12. 786 10. 409 0. 5 36. 8 D ATOM 2162 C6 ADE D 11 21. 83 13. 832 10. 415 0. 5 36. 91 D ATOM 2163 N6 ADE D 11 22. 309 14. 265 9. 245 0. 5 37. 01 D ATOM 2164 C5 ADE D 11 22. 165 14. 401 11. 668 0. 5 36. 99 D ATOM 2165 N7 ADE D 11 22. 993 15. 456 12. 027 0. 5 36. 28 D ATOM 2166 C8 ADE D 11 22. 897 15. 503 13. 335 0. 5 35. 57 D ATOM 2167 C2'ADE D 11 22. 804 14. 409 16. 318 0. 5 34. 05 D ATOM 2168 C5'ADE D 11 21. 289 17. 185 16. 967 0. 5 34. 83 D ATOM 2169 C4'ADE D 11 20. 928 15. 716 16. 988 0. 5 33. 65 D ATOM 2170 04'ADE D 11 20. 686 15. 227 15. 643 0. 5 34. 16 D ATOM 2171 C1'ADE D 11 21. 703 14. 306 15. 264 0. 5 33. 54 D ATOM 2172 C3'ADE D 11 22. 009 14. 794 17. 557 0. 5 32. 47 D ATOM 2173 03'ADE D 11 21. 355 13. 679 18. 178 0. 5 28. 95 D ATOM 2174 P THY D 12 22. 203 12. 575 18. 99 0. 5 28. 67 D ATOM 2175 01 P THY D 12 23. 565 13. 076 19. 31 0. 5 28. 76 D ATOM 2176 02P THY D 12 21. 319 12. 109 20. 089 0. 5 26. 42 D ATOM 2177 05'THY D 12 22. 333 11. 388 17. 94 0. 5 26. 34 D ATOM 2178 N1 THY D 12 23. 727 10. 784 13. 887 0. 5 36. 84 D ATOM 2179 C6 THY D 12 24. 639 11. 784 14. 153 0. 5 37. 65 D ATOM 2180 C2 THY D 12 23. 265 10. 557 12. 601 0. 5 37. 79 D ATOM 2181 02 THY D 12 22. 442 9. 696 12. 329 0. 5 34. 87 D ATOM 2182 N3 THY D 12 23. 808 11. 369 11. 639 0. 5 37. 81 D ATOM 2183 C4 THY D 12 24. 738 12. 369 11. 824 0. 5 39. 41 D ATOM 218404 THY D 12 25. 134 13. 01 10. 855 0. 5 41. 65 D ATOM 2185 C5 THY D 12 25. 17 12. 571 13. 202 0. 5 39. 26 D ATOM 2186 C5A THY D 12 26. 181 13. 634 13. 497 0. 5 37. 07 D ATOM 2187 C2'THY D 12 23. 892 9. 684 16. 269 0. 5 34. 5 D ATOM 2188 C5'THY D 12 21. 161 10. 756 17. 425 0. 5 29. 45 D ATOM 2189 C4'THY D 12 21. 521 9. 614 16. 501 0. 5 32. 03 D ATOM 2190 04'THY D 12 21. 842 10. 104 15. 171 0. 5 34. 58 D ATOM 2191 C1'THY D 12 23. 216 9. 865 14. 927 0. 5 35. 56 D ATOM 2192 C3'THY D 12 22. 793 8. 909 16. 983 0. 5 33. 88 D ATOM 2193 03'THY D 12 22. 795 7. 578 16. 467 0. 5 36. 95 D ATOM 2194 P ADE D 13 22. 219 6. 37 17. 346 0. 5 35. 77 D ATOM 2195 01P ADE D 13 20. 859 6. 733 17. 812 0. 5 35 D ATOM 2196 02P ADE D 13 23. 254 5. 972 18. 335 0. 5 36. 95 D ATOM 2197 05'ADE D 13 22. 048 5. 204 16. 273 0. 5 36. 7 D ATOM 2198 N9 ADE D 13 24. 081 5. 406 13. 265 0. 5 39. 1 D ATOM 2199 C4 ADE D 13 24. 475 6. 157 12. 182 0. 5 38. 91 D ATOM 2200 N3 ADE D 13 24. 063 6. 028 10. 908 0. 5 40. 36 D ATOM 2201 C2 ADE D 13 24. 657 6. 932 10. 129 0. 5 40. 26 D ATOM 2202 N1 ADE D 13 25. 547 7. 881 10. 452 0. 5 40. 2 D ATOM 2203 C6 ADE D 13 25. 938 7. 986 11. 742 0. 5 38. 99 D ATOM 2204 N6 ADE D 13 26. 821 8. 935 12. 061 0. 5 37. 34 D ATOM 2205 C5 ADE D 13 25. 382 7. 081 12. 671 0. 5 39. 09 D ATOM 2206 N7 ADE D 13 25. 565 6. 911 14. 037 0. 5 38. 74 D ATOM 2207 C8 ADE D 13 24. 776 5. 908 14. 338 0. 5 38. 68 D ATOM 2208 C2'ADE D 13 23. 242 3. 323 14. 404 0. 5 38. 86 D ATOM 2209 C5'ADE D 13 20. 824 5. 055 15. 553 0. 5 35. 79 D ATOM 2210 C4'ADE D 13 21. 02 4. 176 14. 338 0. 5 39. 25 D ATOM 2211 04'ADE D 13 21. 808 4. 878 13. 343 0. 5 40. 35 D ATOM 2212 C1'ADE D 13 23. 113 4. 309 13. 249 0. 5 39. 11 D ATOM 2213 C3'ADE D 13 21. 803 2. 901 14. 633 0. 5 39. 32 D ATOM 2214 03'ADE D 13 21. 389 1. 868 13. 742 0. 5 41. 27 D ATOM 2215 P GUA D 14 22. 004 0. 393 13. 888 0. 5 43. 14 D ATOM 2216 01P GUA D 14 20. 867-0. 55 13. 712 0. 5 38. 96 D ATOM 2217 02P GUA D 14 22. 829 0. 327 15. 117 0. 5 41. 17 D ATOM 2218 05'GUA D 14 22. 978 0. 294 12. 633 0. 5 45. 6 D ATOM 2219 N9 GUA D 14 26. 244 2. 251 11. 476 0. 5 62. 33 D ATOM 2220 C4 GUA D 14 26. 858 3. 359 10. 931 0. 5 63. 1 D ATOM 2221 N3 GUA D 14 27. 036 3. 602 9. 612 0. 5 63. 76 D ATOM 2222 C2 GUA D 14 27. 677 4. 743 9. 398 0. 5 63. 73 D ATOM 2223 N2 GUA D 14 27. 94 5. 141 8. 143 0. 5 63. 97 D ATOM 2224 N1 GUA D 14 28. 109 5. 576 10. 397 0. 5 63. 58 D ATOM 2225 C6 GUA D 14 27. 94 5. 349 11. 759 0. 5 63. 76 D ATOM 2226 06 GUA D 14 28. 376 6. 17 12. 576 0. 5 64. 2 D ATOM 2227 C5 GUA D 14 27. 25 4. 129 12. 005 0. 5 63. 33 D ATOM 2228 N7 GUA D 14 26. 875 3. 529 13. 202 0. 5 63. 06 D ATOM 2229 C8 GUA D 14 26. 278 2. 425 12. 84 0. 5 63. 12 D ATOM 2230 C2'GUA D 14 25. 562-0. 214 11. 459 0. 5 60. 61 D ATOM 2231 C5'GUA D 14 22. 472 0. 501 11. 319 0. 5 52. 57 D ATOM 2232 C4'GUA D 14 23. 552 0. 289 10. 284 0. 5 57. 98 D ATOM 2233 04'GUA D 14 24. 418 1. 451 10. 231 0. 5 59. 6 D ATOM 2234 C1'GUA D 14 25. 705 1. 115 10. 733 0. 5 61. 15 D ATOM 2235 C3'GUA D 14 24. 472-0. 881 10. 637 0. 5 60. 26 D ATOM 2236 03'GUA D 14 24. 994-1. 461 9. 435 0. 5 63. 38 D ATOM 2237 P CYT D 15 25. 889-2. 795 9. 506 0. 5 64. 74 D ATOM 2238 01 P CYT D 15 25. 251-3. 799 8. 619 0. 5 66. 38 D ATOM 2239 02P CYT D 15 26. 167-3. 133 10. 923 0. 5 65. 08 D ATOM 2240 05'CYT D 15 27. 267-2. 342 8. 86 0. 5 67. 69 D ATOM 2241 N1 CYT D 15 30. 507 1. 601 10. 14 0. 5 78. 42 D ATOM 2242 C6 CYT D 15 29. 971 1. 145 11. 313 0. 5 78. 77 D ATOM 2243 C2 CYT D 15 31. 041 2. 89 10. 061 0. 5 79. 36 D ATOM 2244 02 CYT D 15 31. 512 3. 279 8. 981 0. 5 79. 98 D ATOM 2245 N3 CYT D 15 31. 028 3. 679 11. 161 0. 5 79. 9 D ATOM 2246 C4 CYT D 15 30. 507 3. 224 12. 303 0. 5 79. 87 D ATOM 2247 N4 CYT D 15 30. 517 4. 037 13. 364 0. 5 80. 14 D ATOM 2248 C5 CYT D 15 29. 95 1. 916 12. 409 0. 5 79. 47 D ATOM 2249 C2'CYT D 15 30. 947-0. 696 9. 218 0. 5 76. 41 D ATOM 2250 C5'CYT D 15 27. 812-1. 065 9. 169 0. 5 71. 82 D ATOM 2251 C4'CYT D 15 28. 834-0. 663 8. 134 0. 5 74. 44 D ATOM 2252 04'CYT D 15 29. 228 0. 703 8. 401 0. 5 75. 85 D ATOM 2253 C1'CYT D 15 30. 542 0. 745 8. 941 0. 5 76. 94 D ATOM 2254 C3'CYT D 15 30. 123-1. 474 8. 211 0. 5 75. 75 D ATOM 2255 03'CYT D 15 30. 757-1. 531 6. 93 0. 5 76. 84 D ATOM 2256 P THY D 16 32. 188-2. 246 6. 78 0. 5 77. 32 D ATOM 2257 01P THY D 16 32. 323-3. 224 7. 891 0. 5 77. 93 D ATOM 2258 02P THY D 16 32. 319-2. 708 5. 374 0. 5 77. 19 D ATOM 2259 05'THY D 16 33. 23-1. 065 7. 03 0. 5 77. 71 D ATOM 2260 N1 THY D 16 34. 676 1. 109 9. 797 0. 5 79. 33 D ATOM 2261 C6 THY D 16 33. 976 0. 04 10. 316 0. 5 79. 42 D ATOM 2262 C2 THY D 16 34. 752 2. 307 10. 473 0. 5 79. 28 D ATOM 2263 02 THY D 16 35. 353 3. 278 10. 041 0. 5 79. 44 D ATOM 2264 N3 THY D 16 34. 101 2. 326 11. 682 0. 5 78. 91 D ATOM 2265 C4 THY D 16 33. 394 1. 294 12. 266 0. 5 79. 22 D ATOM 2266 04 THY D 16 32. 867 1. 458 13. 362 0. 5 79. 64 D ATOM 2267 C5 THY D 16 33. 346 0. 069 11. 5 0. 5 79. 18 D ATOM 2268 C5A THY D 16 32. 602-1. 104 12. 055 0. 5 78. 92 D ATOM 2269 C2'THY D 16 35. 796-0. 371 8. 033 0. 5 78. 89 D ATOM 2270 C5'THY D 16 33. 34 0. 01 6. 098 0. 5 78. 34 D ATOM 2271 C4'THY D 16 34. 64 0. 755 6. 294 0. 5 78. 69 D ATOM 2272 04'THY D 16 34. 551 1. 565 7. 491 0. 5 79 D ATOM 2273 C1'THY D 16 35. 383 1. 018 8. 504 0. 5 79. 12 D ATOM 2274 C3'THY D 16 35. 825-0. 182 6. 527 0. 5 78. 58 D ATOM 2275 03'THY D 16 37. 054 0. 489 6. 231 0. 5 78. 44 D ATOM 2276 05'ADE E 3-0. 514 21. 631 22. 461 0. 5 113. 42 E ATOM 2277 N9 ADE E 3-0. 505 24. 686 18. 219 0. 5 114. 35 E ATOM 2278 C4 ADE E 3-0. 483 25. 408 17. 049 0. 5 114. 52 E ATOM 2279 N3 ADE E 3-0. 989 25. 047 15. 857 0. 5 114. 59 E ATOM 2280 C2 ADE E 3-0. 782 26 14. 948 0. 5 114. 69 E ATOM 2281 N1 ADE E 3-0. 173 27. 186 15. 085 0. 5 114. 83 E ATOM 2282 C6 ADE E 3 0. 325 27. 519 16. 297 0. 5 114. 85 E ATOM 2283 N6 ADE E 3 0. 934 28. 699 16. 434 0. 5 115 E ATOM 2284 C5 ADE E 3 0. 169 26. 591 17. 347 0. 5 114. 67 E ATOM 2285 N7 ADE E 3 0. 552 26. 617 18. 681 0. 5 114. 63 E ATOM 2286 C8 ADE E 3 0. 13 25. 469 19. 153 0. 5 114. 53 E ATOM 2287 C2'ADE E 3-0. 075 22. 244 18. 651 0. 5 113. 66 E ATOM 2288 C5'ADE E 3-0. 965 22. 722 21. 653 0. 5 113. 7 E ATOM 2289 C4'ADE E 3-1. 681 22. 25 20. 408 0. 5 113. 5 E ATOM 2290 04'ADE E 3-1. 929 23. 397 19. 556 0. 5 113. 77 E ATOM 2291 C1'ADE E 3-1. 087 23. 355 18. 407 0. 5 114. 07 E ATOM 2292 C3'ADE E 3-0. 84 21. 299 19. 559 0. 5 113. 08 E ATOM 2293 03'ADE E 3-1. 685 20. 414 18. 813 0. 5 111. 59 E ATOM 2294 P GUA E 4-1. 084 19. 045 18. 219 0. 5 110. 46 E ATOM 2295 01P GUA E 4-1. 68 17. 927 18. 993 0. 5 110. 53 E ATOM 2296 02P GUA E 4 0. 393 19. 172 18. 131 0. 5 110. 42 E ATOM 2297 05'GUA E 4-1. 671 18. 989 16. 739 0. 5 109. 19 E ATOM 2298 N9 GUA E 4 0. 628 21. 707 14. 121 0. 5 104. 28 E ATOM 2299 C4 GUA E 4 1. 045 22. 909 13. 597 0. 5 104. 15 E ATOM 2300 N3 GUA E 4 0. 76 23. 382 12. 366 0. 5 103. 97 E ATOM 2301 C2 GUA E 4 1. 31 24. 567 12. 152 0. 5 103. 66 E ATOM 2302 N2 GUA E 4 1. 131 25. 186 10. 976 0. 5 103. 38 E ATOM 2303 N1 GUA E 4 2. 079 25. 231 13. 074 0. 5 103. 76 E ATOM 2304 C6 GUA E 4 2. 385 24. 765 14. 348 0. 5 104. 11 E ATOM 2305 06 GUA E 4 3. 09 25. 448 15. 101 0. 5 104. 06 E ATOM 2306 C5 GUA E 4 1. 801 23. 493 14. 592 0. 5 104. 18 E ATOM 2307 N7 GUA E 4 1. 854 22. 682 15. 714 0. 5 104. 49 E ATOM 2308 C8 GUA E 4 1. 144 21. 634 15. 39 0. 5 104. 38 E ATOM 2309 C2'GUA E 4 0. 524 19. 425 13. 077 0. 5 104. 13 E ATOM 2310 C5'GUA E 4-0. 934 18. 383 15. 678 0. 5 106. 84 E ATOM 2311 C4'GUA E 4-1. 419 18. 906 14. 345 0. 5 105. 19 E ATOM 2312 04'GUA E 4-1. 256 20. 345 14. 325 0. 5 104. 85 E ATOM 2313 C1'GUA E 4-0. 199 20. 71 13. 445 0. 5 104. 38 E ATOM 2314 C3'GUA E 4-0. 589 18. 399 13. 169 0. 5 103. 9 E ATOM 2315 03'GUA E 4-1. 387 18. 393 11. 98 0. 5 101. 64 E ATOM 2316 P CYT E 5-0. 84 17. 669 10. 654 0. 5 99. 65 E ATOM 2317 01P CYT E 5-1. 955 16. 86 10. 102 0. 5 99. 7 E ATOM 2318 02P CYT E 5 0. 455 17. 014 10. 973 0. 5 99. 68 E ATOM 2319 05'CYT E 5-0. 562 18. 874 9. 648 0. 5 98. 79 E ATOM 2320 N1 CYT E 5 3. 61 21. 971 10. 321 0. 5 93. 65 E ATOM 2321 C6 CYT E 5 3. 382 21. 249 11. 46 0. 5 93. 26 E ATOM 2322 C2 CYT E 5 4. 535 23. 024 10. 326 0. 5 93. 22 E ATOM 2323 02 CYT E 5 4. 73 23. 661 9. 284 0. 5 93. 32 E ATOM 2324 N3 CYT E 5 5. 195 23. 318 11. 471 0. 5 92. 83 E ATOM 2325 C4 CYT E 5 4. 963 22. 61 12. 577 0. 5 92. 67 E ATOM 2326 N4 CYT E 5 5. 636 22. 94 13. 683 0. 5 92. 56 E ATOM 2327 C5 CYT E 5 4. 031 21. 531 12. 6 0. 5 92. 98 E ATOM 2328 C2'CYT E 5 3. 024 20. 214 8. 62 0. 5 94. 52 E ATOM 2329 C5'CYT E 5 0. 211 20. 004 10. 053 0. 5 96. 73 E ATOM 2330 C4'CYT E 5 0. 715 20. 758 8. 844 0. 5 95. 48 E ATOM 2331 04'CYT E 5 1. 499 21. 883 9. 31 0. 5 94. 97 E ATOM 2332 C1'CYT E 5 2. 887 21. 66 9. 075 0. 5 94. 3 E ATOM 2333 C3'CYT E 5 1. 672 19. 936 7. 987 0. 5 94. 74 E ATOM 2334 03'CYT E 5 1. 615 20. 357 6. 62 0. 5 93. 72 E ATOM 2335 P THY E 6 2. 255 19. 429 5. 478 0. 5 93. 15 E ATOM 2336 01P THY E 6 1. 59 18. 103 5. 561 0. 5 93. 07 E ATOM 2337 02P THY E 6 2. 243 20. 178 4. 197 0. 5 93. 27 E ATOM 2338 05'THY E 6 3. 767 19. 267 5. 95 0. 5 92. 73 E ATOM 2339 N1 THY E 6 7. 254 20. 899 7. 677 0. 5 89. 7 E ATOM 2340 C6 THY E 6 6. 592 19. 852 8. 281 0. 5 89. 68 E ATOM 2341 C2 THY E 6 8. 094 21. 722 8. 396 0. 5 89. 58 E ATOM 2342 02 THY E 6 8. 702 22. 654 7. 897 0. 5 89. 78 E ATOM 2343 N3 THY E 6 8. 197 21. 414 9. 729 0. 5 89. 63 E ATOM 2344 C4 THY E 6 7. 561 20. 388 10. 399 0. 5 89. 77 E ATOM 2345 04 THY E 6 7. 75 20. 238 11. 603 0. 5 89. 69 E ATOM 2346 C5 THY E 6 6. 7 19. 56 9. 585 0. 5 89. 79 E ATOM 2347 C5A THY E 6 5. 971 18. 423 10. 227 0. 5 89. 79 E ATOM 2348 C2'THY E 6 7. 763 20. 22 5. 273 0. 5 90. 07 E ATOM 2349 C5'THY E 6 4. 818 19. 091 5. 005 0. 5 91. 46 E ATOM 2350 C4'THY E 6 5. 464 20. 422 4. 694 0. 5 90. 66 E ATOM 2351 04'THY E 6 5. 688 21. 134 5. 935 0. 5 90. 34 E ATOM 2352 C1'THY E 6 7. 079 21. 182 6. 234 0. 5 89. 95 E ATOM 2353 C3'THY E 6 6. 847 20. 272 4. 063 0. 5 89. 96 E ATOM 2354 03'THY E 6 7. 131 21. 396 3. 221 0. 5 89. 06 E ATOM 2355 P ADE E 7 8. 264 21. 28 2. 085 0. 5 88. 08 E ATOM 2356 01 P ADE E 7 7. 79 22. 057 0. 911 0. 5 88. 21 E ATOM 2357 02P ADE E 7 8. 627 19. 85 1. 922 0. 5 88. 05 E ATOM 2358 05'ADE E 7 9. 514 22. 049 2. 707 0. 5 87. 64 E ATOM 2359 N9 ADE E 7 11. 634 21. 407 5. 57 0. 5 83. 18 E ATOM 2360 C4 ADE E 7 11. 645 21. 39 6. 947 0. 5 82. 51 E ATOM 2361 N3 ADE E 7 12. 073 22. 361 7. 771 0. 5 82. 55 E ATOM 2362 C2 ADE E 7 11. 926 21. 996 9. 045 0. 5 82. 33 E ATOM 2363 N1 ADE E 7 11. 437 20. 855 9. 553 0. 5 82. 18 E ATOM 2364 C6 ADE E 7 11. 015 19. 899 8. 697 0. 5 82. 02 E ATOM 2365 N6 ADE E 7 10. 527 18. 763 9. 204 0. 5 81. 6 E ATOM 2366 C5 ADE E 7 11. 118 20. 164 7. 315 0. 5 82. 2 E ATOM 2367 N7 ADE E 7 10. 786 19. 417 6. 193 0. 5 82. 51 E ATOM 2368 C8 ADE E 7 11. 112 20. 195 5. 188 0. 5 83 E ATOM 2369 C2'ADE E 7 12. 351 22. 153 3. 251 0. 5 84. 07 E ATOM 2370 C5'ADE E 7 9. 481 23. 464 2. 886 0. 5 86. 12 E ATOM 2371 C4'ADE E 7 10. 824 23. 974 3. 355 0. 5 84. 82 E ATOM 2372 04'ADE E 7 11. 068 23. 505 4. 704 0. 5 84. 29 E ATOM 2373 C1'ADE E 7 12. 086 22. 508 4. 712 0. 5 83. 8 E ATOM 2374 C3'ADE E 7 11. 992 23. 441 2. 529 0. 5 84. 05 E ATOM 2375 03'ADE E 7 13. 06 24. 399 2. 512 0. 5 83. 21 E ATOM 2376 P THY E 8 14. 152 24. 366 1. 328 0. 5 82. 39 E ATOM 2377 01 P THY E 8 13. 787 23. 259 0. 408 0. 5 82. 21 E ATOM 2378 02P THY E 8 14. 334 25. 741 0. 795 0. 5 81. 83 E ATOM 2379 05'THY E 8 15. 487 23. 953 2. 086 0. 5 82. 08 E ATOM 2380 N1 THY E 8 15. 732 21. 001 6. 445 0. 5 79. 95 E ATOM 2381 C6 THY E 8 15. 363 20. 167 5. 409 0. 5 80. 37 E ATOM 2382 C2 THY E 8 15. 384 20. 715 7. 745 0. 5 80. 04 E ATOM 2383 02 THY E 8 15. 689 21. 424 8. 686 0. 5 80 E ATOM 2384 N3 THY E 8 14. 659 19. 56 7. 905 0. 5 79. 89 E ATOM 2385 C4 THY E 8 14. 26 18. 682 6. 916 0. 5 80. 25 E ATOM 2386 04 THY E 8 13. 612 17. 683 7. 209 0. 5 79. 92 E ATOM 2387 C5 THY E 8 14. 658 19. 039 5. 577 0. 5 80. 44 E ATOM 2388 C5A THY E 8 14. 272 18. 138 4. 446 0. 5 80. 43 E ATOM 2389 C2'THY E 8 17. 651 22. 018 5. 176 0. 5 78. 66 E ATOM 2390 C5'THY E 8 15. 41 23. 12 3. 233 0. 5 80. 71 E ATOM 2391 C4'THY E 8 16. 191 23. 713 4. 382 0. 5 79. 3 E ATOM 2392 04'THY E 8 15. 635 23. 183 5. 606 0. 5 79. 72 E ATOM 2393 C1'THY E 8 16. 518 22. 224 6. 178 0. 5 79. 52 E ATOM 2394 C3'THY E 8 17. 665 23. 323 4. 401 0. 5 77. 57 E ATOM 2395 03'THY E 8 18. 444 24. 341 5. 041 0. 5 74. 28 E ATOM 2396 P THY E 9 19. 915 23. 996 5. 588 0. 5 72. 29 E ATOM 2397 01P THY E 9 20. 445 22. 878 4. 77 0. 5 71. 76 E ATOM 2398 02P THY E 9 20. 692 25. 255 5. 7 0. 5 70. 79 E ATOM 2399 05'THY E 9 19. 633 23. 464 7. 063 0. 5 70. 06 E ATOM 2400 N1 THY E 9 18. 772 20. 275 9. 211 0. 5 64. 77 E ATOM 2401 C6 THY E 9 18. 946 20. 101 7. 852 0. 5 65. 95 E ATOM 2402 C2 THY E 9 18. 155 19. 304 9. 981 0. 5 65. 57 E ATOM 2403 02 THY E 9 17. 982 19. 412 11. 182 0. 5 65. 33 E ATOM 2404 N3 THY E 9 17. 741 18. 197 9. 285 0. 5 66. 94 E ATOM 2405 C4 THY E 9 17. 875 17. 965 7. 929 0. 5 67. 37 E ATOM 2406 04 THY E 9 17. 445 16. 926 7. 441 0. 5 68. 42 E ATOM 2407 C5 THY E 9 18. 531 19. 013 7. 184 0. 5 66. 68 E ATOM 2408 C5A THY E 9 18. 715 18. 838 5. 709 0. 5 66. 14 E ATOM 2409 C2'THY E 9 20. 585 22. 077 9. 476 0. 5 61. 21 E ATOM 2410 C5'THY E 9 18. 732 24. 171 7. 916 0. 5 65. 83 E ATOM 2411 C4'THY E 9 18. 935 23. 795 9. 365 0. 5 62. 69 E ATOM 2412 04'THY E 9 18. 272 22. 538 9. 653 0. 5 62. 39 E ATOM 2413 C1'THY E 9 19. 232 21. 511 9. 892 0. 5 62. 99 E ATOM 2414 C3'THY E 9 20. 399 23. 564 9. 735 0. 5 59. 84 E ATOM 2415 03'THY E 9 20. 615 23. 939 11. 1 0. 5 55. 39 E ATOM 2416 P THY E 10 21. 986 23. 544 11. 837 0. 5 50. 44 E ATOM 2417 01P THY E 10 23. 031 23. 322 10. 81 0. 5 51. 21 E ATOM 2418 02P THY E 10 22. 219 24. 541 12. 914 0. 5 51. 6 E ATOM 2419 05'THY E 10 21. 622 22. 152 12. 524 0. 5 49. 35 E ATOM 2420 N1 THY E 10 21. 025 18. 115 11. 776 0. 5 39. 16 E ATOM 2421 C6 THY E 10 21. 543 18. 694 10. 637 0. 5 38. 52 E ATOM 2422 C2 THY E 10 20. 391 16. 887 11. 728 0. 5 38. 14 E ATOM 2423 02 THY E 10 19. 929 16. 335 12. 717 0. 5 36. 13 E ATOM 2424 N3 THY E 10 20. 317 16. 324 10. 479 0. 5 37. 94 E ATOM 2425 C4 THY E 10 20. 808 16. 844 9. 301 0. 5 37. 86 E ATOM 2426 04 THY E 10 20. 659 16. 221 8. 251 0. 5 36. 94 E ATOM 2427 C5 THY E 10 21. 474 18. 127 9. 423 0. 5 37. 84 E ATOM 2428 C5A THY E 10 22. 059 18. 758 8. 2 0. 5 36. 57 E ATOM 2429 C2'THY E 10 22. 374 19. 493 13. 523 0. 5 38. 33 E ATOM 2430 C5'THY E 10 20. 465 22. 054 13. 35 0. 5 42. 61 E ATOM 2431 C4'THY E 10 20. 449 20. 762 14. 135 0. 5 39. 81 E ATOM 2432 04'THY E 10 20. 029 19. 658 13. 29 0. 5 39. 41 E ATOM 2433 C1'THY E 10 21. 115 18. 756 13. 112 0. 5 39. 24 E ATOM 2434 C3'THY E 10 21. 833 20. 355 14. 653 0. 5 38. 39 E ATOM 2435 03'THY E 10 21. 653 19. 592 15. 855 0. 5 37. 57 E ATOM 2436 P ADE E 11 22. 919 18. 943 16. 617 0. 5 37. 56 E ATOM 2437 01P ADE E 11 22. 91 19. 532 17. 983 0. 5 36. 31 E ATOM 2438 02P ADE E 11 24. 147 19. 038 15. 793 0. 5 37. 97 E ATOM 2439 05'ADE E 11 22. 488 17. 413 16. 73 0. 5 38. 06 E ATOM 2440 N9 ADE E 11 22. 48 14. 601 14. 003 0. 5 42. 21 E ATOM 2441 C4 ADE E 11 22. 232 13. 806 12. 906 0. 5 42. 68 E ATOM 2442 N3 ADE E 11 21. 518 12. 669 12. 871 0. 5 43. 78 E ATOM 2443 C2 ADE E 11 21. 478 12. 17 11. 635 0. 5 44. 87 E ATOM 2444 N1 ADE E 11 22. 03 12. 644 10. 509 0. 5 44. 74 E ATOM 2445 C6 ADE E 11 22. 743 13. 79 10. 574 0. 5 44. 74 E ATOM 2446 N6 ADE E 11 23. 289 14. 26 9. 448 0. 5 45. 38 E ATOM 2447 C5 ADE E 11 22. 863 14. 421 11. 84 0. 5 43. 69 E ATOM 2448 N7 ADE E 11 23. 503 15. 583 12. 255 0. 5 42. 6 E ATOM 2449 C8 ADE E 11 23. 248 15. 643 13. 541 0. 5 42. 05 E ATOM 2450 C2'ADE E 11 22. 94 14. 505 16. 532 0. 5 41. 29 E ATOM 2451 C5'ADE E 11 21. 139 17. 091 17. 074 0. 5 38. 87 E ATOM 2452 C4'ADE E 11 20. 88 15. 605 16. 997 0. 5 40. 2 E ATOM 2453 04'ADE E 11 20. 862 15. 159 15. 614 0. 5 40. 6 E ATOM 2454 C1'ADE E 11 21. 988 14. 328 15. 357 0. 5 40. 78 E ATOM 2455 C3'ADE E 11 21. 964 14. 762 17. 671 0. 5 40. 42 E ATOM 2456 03'ADE E 11 21. 36 13. 554 18. 161 0. 5 40. 72 E ATOM 2457 P THY E 12 22. 084 12. 688 19. 31 0. 5 41. 83 E ATOM 2458 01P THY E 12 23. 325 13. 374 19. 757 0. 5 41. 64 E ATOM 2459 02P THY E 12 21. 051 12. 308 20. 307 0. 5 40. 57 E ATOM 2460 05'THY E 12 22. 525 11. 374 18. 536 0. 5 42. 85 E ATOM 2461 N1 THY E 12 24. 375 10. 453 13. 616 0. 5 50. 19 E ATOM 2462 C6 THY E 12 25. 176 11. 499 14. 024 0. 5 49. 6 E ATOM 2463 C2 THY E 12 24. 181 10. 178 12. 282 0. 5 49. 62 E ATOM 2464 02 THY E 12 23. 474 9. 261 11. 89 0. 5 49. 34 E ATOM 2465 N3 THY E 12 24. 844 11. 018 11. 421 0. 5 48. 42 E ATOM 2466 C4 THY E 12 25. 664 12. 079 11. 755 0. 5 48. 89 E ATOM 2467 04 THY E 12 26. 194 12. 741 10. 868 0. 5 50. 27 E ATOM 2468 C5 THY E 12 25. 822 12. 314 13. 176 0. 5 49. 26 E ATOM 2469 C5A THY E 12 26. 688 13. 444 13. 633 0. 5 47. 68 E ATOM 2470 C2'THY E 12 24. 497 9. 167 15. 804 0. 5 50. 97 E ATOM 2471 C5'THY E 12 22. 784 11. 427 17. 143 0. 5 48. 28 E ATOM 2472 C4'THY E 12 22. 434 10. 111 16. 495 0. 5 50. 07 E ATOM 2473 04'THY E 12 22. 549 10. 276 15. 064 0. 5 50. 04 E ATOM 2474 C1'THY E 12 23. 689 9. 581 14. 584 0. 5 50. 58 E ATOM 2475 C3'THY E 12 23. 418 9. 004 16. 857 0. 5 51. 5 E ATOM 2476 03'THY E 12 22. 771 7. 736 16. 736 0. 5 54. 83 E ATOM 2477 P ADE E 13 23. 242 6. 505 17. 652 0. 5 56. 88 E ATOM 2478 01P ADE E 13 22. 237 6. 371 18. 737 0. 5 55. 83 E ATOM 2479 02P ADE E 13 24. 68 6. 664 17. 998 0. 5 56. 05 E ATOM 2480 05'ADE E 13 23. 091 5. 252 16. 682 0. 5 58. 24 E ATOM 2481 N9 ADE E 13 25. 012 5. 577 13. 713 0. 5 63. 81 E ATOM 2482 C4 ADE E 13 25. 404 6. 322 12. 628 0. 5 64. 31 E ATOM 2483 N3 ADE E 13 25. 035 6. 154 11. 346 0. 5 64. 75 E ATOM 2484 C2 ADE E 13 25. 615 7. 065 10. 566 0. 5 64. 8 E ATOM 2485 N1 ADE E 13 26. 461 8. 052 10. 896 0. 5 64. 96 E ATOM 2486 C6 ADE E 13 26. 811 8. 194 12. 193 0. 5 64. 57 E ATOM 2487 N6 ADE E 13 27. 651 9. 178 12. 522 0. 5 64. 94 E ATOM 2488 C5 ADE E 13 26. 263 7. 288 13. 122 0. 5 64. 54 E ATOM 2489 N7 ADE E 13 26. 413 7. 152 14. 495 0. 5 64. 14 E ATOM 2490 C8 ADE E 13 25. 652 6. 127 14. 796 0. 5 63. 89 E ATOM 2491 C2'ADE E 13 24. 317 3. 423 14. 809 0. 5 63. 05 E ATOM 2492 C5'ADE E 13 21. 84 4. 957 16. 069 0. 5 60. 49 E ATOM 2493 C4'ADE E 13 22. 045 4. 134 14. 819 0. 5 62. 4 E ATOM 2494 04'ADE E 13 22. 77 4. 927 13. 846 0. 5 63. 24 E ATOM 2495 C1'ADE E 13 24. 098 4. 433 13. 694 0. 5 63. 28 E ATOM 2496 C3'ADE E 13 22. 914 2. 9 15. 049 0. 5 62. 48 E ATOM 2497 03'ADE E 13 22. 554 1. 874 14. 122 0. 5 63. 06 E ATOM 2498 P ADE E 14 23. 42 0. 524 14. 044 0. 5 62. 89 E ATOM 2499 01P ADE E 14 24. 375 0. 502 15. 18 0. 5 62. 72 E ATOM 2500 02P ADE E 14 22. 465-0. 598 13. 869 0. 5 62. 93 E ATOM 2501 05'ADE E 14 24. 247 0. 703 12. 695 0. 5 64. 63 E ATOM 2502 N9 ADE E 14 27. 269 2. 987 11. 62 0. 5 69. 82 E ATOM 2503 C4 ADE E 14 27. 968 4. 089 11. 186 0. 5 69. 22 E ATOM 2504 N3 ADE E 14 28. 205 4. 45 9. 912 0. 5 68. 79 E ATOM 2505 C2 ADE E 14 28. 927 5. 566 9. 865 0. 5 67. 88 E ATOM 2506 N1 ADE E 14 29. 405 6. 308 10. 871 0. 5 67. 92 E ATOM 2507 C6 ADE E 14 29. 15 5. 92 12. 141 0. 5 68. 22 E ATOM 2508 N6 ADE E 14 29. 626 6. 665 13. 141 0. 5 67. 1 E ATOM 2509 C5 ADE E 14 28. 389 4. 746 12. 327 0. 5 68. 73 E ATOM 2510 N7 ADE E 14 27. 951 4. 08 13. 465 0. 5 68. 74 E ATOM 2511 C8 ADE E 14 27. 289 3. 048 12. 992 0. 5 69. 42 E ATOM 2512 C2'ADE E 14 26. 696 0. 534 11. 162 0. 5 70. 83 E ATOM 2513 C5'ADE E 14 23. 571 1. 016 11. 483 0. 5 67. 47 E ATOM 2514 C4'ADE E 14 24. 542 1. 121 10. 329 0. 5 70. 12 E ATOM 2515 04'ADE E 14 25. 331 2. 33 10. 454 0. 5 70. 34 E ATOM 2516 C1'ADE E 14 26. 683 1. 987 10. 727 0. 5 70. 18 E ATOM 2517 C3'ADE E 14 25. 561-0. 02 10. 318 0. 5 71. 54 E ATOM 2518 03'ADE E 14 25. 977-0. 259 8. 965 0. 5 74. 63 E ATOM 2519 P GUA E 15 27. 252-1. 192 8. 662 0. 5 77. 41 E ATOM 2520 01P GUA E 15 26. 873-2. 046 7. 509 0. 5 77. 19 E ATOM 2521 02P GUA E 15 27. 714-1. 828 9. 924 0. 5 77. 07 E ATOM 2522 05'GUA E 15 28. 368-0. 162 8. 167 0. 5 79. 63 E ATOM 2523 N9 GUA E 15 31. 16 2. 391 9. 361 0. 5 90. 55 E ATOM 2524 C4 GUA E 15 31. 866 3. 497 9. 778 0. 5 91. 15 E ATOM 2525 N3 GUA E 15 32. 609 4. 306 8. 987 0. 5 91. 41 E ATOM 2526 C2 GUA E 15 33. 178 5. 284 9. 673 0. 5 91. 59 E ATOM 2527 N2 GUA E 15 33. 952 6. 183 9. 041 0. 5 91. 68 E ATOM 2528 N1 GUA E 15 33. 032 5. 456 11. 027 0. 5 91. 58 E ATOM 2529 C6 GUA E 15 32. 275 4. 639 11. 861 0. 5 91. 41 E ATOM 2530 06 GUA E 15 32. 214 4. 888 13. 071 0. 5 91. 61 E ATOM 2531 C5 GUA E 15 31. 656 3. 581 11. 135 0. 5 91. 37 E ATOM 2532 N7 GUA E 15 30. 825 2. 553 11. 568 0. 5 91. 13 E ATOM 2533 C8 GUA E 15 30. 555 1. 876 10. 483 0. 5 90. 74 E ATOM 2534 C2'GUA E 15 31. 192 0. 385 7. 787 0. 5 88. 9 E ATOM 2535 C5'GUA E 15 28. 115 0. 699 7. 054 0. 5 83. 5 E ATOM 2536 C4'GUA E 15 29. 4 1. 28 6. 502 0. 5 86. 64 E ATOM 2537 04'GUA E 15 29. 9 2. 321 7. 38 0. 5 87. 7 E ATOM 2538 C1'GUA E 15 31. 105 1. 885 7. 995 0. 5 89. 25 E ATOM 2539 C3'GUA E 15 30. 529 0. 25 6. 429 0. 5 88. 16 E ATOM 2540 03'GUA E 15 31. 45 0. 602 5. 385 0. 5 89. 51 E ATOM 2541 P CYT E 16 32. 664-0. 389 5. 018 0. 5 90. 3 E ATOM 2542 O1P CYT E 16 32. 564-0. 684 3. 564 0. 5 90. 04 E ATOM 2543 02P CYT E 16 32. 674-1. 509 5. 993 0. 5 90. 22 E ATOM 2544 05'CYT E 16 33. 976 0. 49 5. 246 0. 5 90. 17 E ATOM 2545 N1 CYT E 16 36. 019 2. 653 9. 682 0. 5 90. 87 E ATOM 2546 C6 CYT E 16 35. 036 1. 784 10. 065 0. 5 90. 92 E ATOM 2547 C2 CYT E 16 36. 586 3. 534 10. 613 0. 5 90. 77 E ATOM 2548 02 CYT E 16 37. 473 4. 316 10. 24 0. 5 90. 86 E ATOM 2549 N3 CYT E 16 36. 152 3. 511 11. 894 0. 5 90. 59 E ATOM 2550 C4 CYT E 16 35. 193 2. 658 12. 258 0. 5 90. 63 E ATOM 2551 N4 CYT E 16 34. 797 2. 673 13. 533 0. 5 90. 75 E ATOM 2552 C5 CYT E 16 34. 596 1. 753 11. 331 0. 5 90. 68 E ATOM 2553 C2'CYT E 16 37. 046 1. 355 7. 765 0. 5 90. 82 E ATOM 2554 C5'CYT E 16 34. 174 1. 236 6. 451 0. 5 90. 56 E ATOM 2555 C4'CYT E 16 35. 36 2. 162 6. 303 0. 5 90. 71 E ATOM 2556 04'CYT E 16 35. 416 3. 04 7. 451 0. 5 91 E ATOM 2557 C1'CYT E 16 36. 506 2. 68 8. 292 0. 5 90. 87 E ATOM 2558 C3'CYT E 16 36. 705 1. 439 6. 288 0. 5 90. 47 E ATOM 2559 03'CYT E 16 37. 713 2. 266 5. 699 0. 5 90. 26 E ATOM 2560 05'GUA F 3 38. 698 11. 583 19. 593 0. 5 94. 78 F ATOM 2561 N9 GUA F 3 37. 41 8. 927 15. 982 0. 5 97. 74 F ATOM 2562 C4 GUA F 3 37. 28 7. 914 15. 063 0. 5 97. 86 F ATOM 2563 N3 GUA F 3 37. 655 7. 972 13. 767 0. 5 97. 88 F ATOM 2564 C2 GUA F 3 37. 402 6. 843 13. 127 0. 5 97. 95 F ATOM 2565 N2 GUA F 3 37. 715 6. 728 11. 825 0. 5 98. 21 F ATOM 2566 N1 GUA F 3 36. 822 5. 744 13. 711 0. 5 98. 14 F ATOM 2567 C6 GUA F 3 36. 427 5. 659 15. 043 0. 5 98. 24 F ATOM 2568 06 GUA F 3 35. 911 4. 615 15. 465 0. 5 98. 47 F ATOM 2569 C5 GUA F 3 36. 697 6. 869 15. 744 0. 5 98. 04 F ATOM 2570 N7 GUA F 3 36. 469 7. 214 17. 072 0. 5 97. 82 F ATOM 2571 C8 GUA F 3 36. 908 8. 441 17. 166 0. 5 97. 77 F ATOM 2572 C2'GUA F 3 36. 93 11. 355 15. 575 0. 5 97. 2 F ATOM 2573 C5'GUA F 3 37. 855 12. 014 18. 52 0. 5 96. 06 F ATOM 2574 C4'GUA F 3 38. 563 11. 997 17. 184 0. 5 96. 58 F ATOM 2575 04'GUA F 3 38. 805 10. 618 16. 81 0. 5 97. 13 F ATOM 2576 C1'GUA F 3 37. 963 10. 251 15. 721 0. 5 97. 45 F ATOM 2577 C3'GUA F 3 37. 698 12. 567 16. 061 0. 5 96. 97 F ATOM 2578 03'GUA F 3 38. 513 13. 109 15. 014 0. 5 97. 42 F ATOM 2579 P CYT F 4 37. 818 13. 817 13. 747 0. 5 97. 86 F ATOM 2580 01 P CYT F 4 38. 835 14. 695 13. 114 0. 5 97. 68 F ATOM 2581 02P CYT F 4 36. 523 14. 393 14. 19 0. 5 97. 62 F ATOM 2582 05'CYT F 4 37. 508 12. 617 12. 744 0. 5 97. 8 F ATOM 2583 N1 CYT F 4 34. 764 10. 22 11. 888 0. 5 98. 79 F ATOM 2584 C6 CYT F 4 34. 636 10. 434 13. 234 0. 5 98. 6 F ATOM 2585 C2 CYT F 4 34. 59 8. 931 11. 361 0. 5 98. 64 F ATOM 2586 02 CYT F 4 34. 719 8. 76 10. 138 0. 5 98. 49 F ATOM 2587 N3 CYT F 4 34. 287 7. 91 12. 192 0. 5 98. 33 F ATOM 2588 C4 CYT F 4 34. 159 8. 131 13. 5 0. 5 98. 4 F ATOM 2589 N4 CYT F 4 33. 853 7. 09 14. 28 0. 5 98. 43 F ATOM 2590 C5 CYT F 4 34. 335 9. 429 14. 068 0. 5 98. 44 F ATOM 2591 C2'CYT F 4 34. 973 12. 748 11. 493 0. 5 99. 03 F ATOM 2592 C5'CYT F 4 38. 107 12. 572 11. 447 0. 5 98. 42 F ATOM 2593 C4'CYT F 4 37. 046 12. 449 10. 378 0. 5 98. 82 F ATOM 2594 04'CYT F 4 36. 401 11. 158 10. 488 0. 5 99. 08 F ATOM 2595 C1'CYT F 4 35. 072 11. 323 10. 96 0. 5 98. 97 F ATOM 2596 C3'CYT F 4 35. 931 13. 479 10. 57 0. 5 98. 89 F ATOM 2597 03'CYT F 4 35. 255 13. 746 9. 331 0. 5 98. 96 F ATOM 2598 P THY F 5 36. 087 14. 176 8. 022 0. 5 98. 78 F ATOM 2599 01P THY F 5 35. 347 15. 304 7. 397 0. 5 98. 35 F ATOM 2600 02P THY F 5 37. 521 14. 344 8. 371 0. 5 98. 37 F ATOM 2601 05'THY F 5 35. 933 12. 904 7. 073 0. 5 97. 79 F ATOM 2602 N1 THY F 5 32. 042 9. 863 8. 499 0. 5 97. 13 F ATOM 2603 C6 THY F 5 32. 055 10. 901 9. 407 0. 5 97. 36 F ATOM 2604 C2 THY F 5 31. 609 8. 606 8. 86 0. 5 97. 32 F ATOM 2605 02 THY F 5 31. 576 7. 664 8. 089 0. 5 97. 61 F ATOM 2606 N3 THY F 5 31. 209 8. 494 10. 171 0. 5 97. 58 F ATOM 2607 C4 THY F 5 31. 2 9. 491 11. 13 0. 5 97. 49 F ATOM 2608 04 THY F 5 30. 819 9. 242 12. 271 0. 5 97. 93 F ATOM 2609 C5 THY F 5 31. 662 10. 782 10. 68 0. 5 97. 41 F ATOM 2610 C5A THY F 5 31. 683 11. 923 11. 648 0. 5 97. 59 F ATOM 2611 C2'THY F 5 32. 294 11. 523 6. 636 0. 5 96. 12 F ATOM 2612 C5'THY F 5 35. 322 11. 712 7. 569 0. 5 96. 94 F ATOM 2613 C4'THY F 5 34. 604 10. 97 6. 465 0. 5 96. 2 F ATOM 2614 04'THY F 5 33. 911 9. 854 7. 078 0. 5 96. 33 F ATOM 2615 C1'THY F 5 32. 503 10. 09 7. 112 0. 5 96. 67 F ATOM 2616 C3'THY F 5 33. 512 11. 779 5. 77 0. 5 95. 56 F ATOM 2617 03'THY F 5 33. 318 11. 319 4. 427 0. 5 93. 7 F ATOM 2618 P THY F 6 32. 074 11. 871 3. 568 0. 5 92. 59 F ATOM 2619 01P THY F 6 31. 683 13. 185 4. 14 0. 5 92. 45 F ATOM 2620 02P THY F 6 32. 416 11. 771 2. 125 0. 5 92. 5 F ATOM 2621 05'THY F 6 30. 91 10. 825 3. 871 0. 5 90. 95 F ATOM 2622 N1 THY F 6 28. 244 9. 839 6. 533 0. 5 81 F ATOM 2623 C6 THY F 6 28. 805 11. 066 6. 818 0. 5 80. 01 F ATOM 2624 C2 THY F 6 27. 74 9. 034 7. 532 0. 5 79. 92 F ATOM 2625 02 THY F 6 27. 239 7. 942 7. 315 0. 5 78. 97 F ATOM 2626 N3 THY F 6 27. 846 9. 554 8. 8 0. 5 79. 27 F ATOM 2627 C4 THY F 6 28. 392 10. 77 9. 158 0. 5 79. 05 F ATOM 2628 04 THY F 6 28. 417 11. 101 10. 339 0. 5 77. 61 F ATOM 2629 C5 THY F 6 28. 904 11. 565 8. 06 0. 5 79. 61 F ATOM 2630 C5A THY F 6 29. 514 12. 899 8. 354 0. 5 79. 38 F ATOM 2631 C2'THY F 6 28. 063 10. 352 4. 024 0. 5 83. 54 F ATOM 2632 C5'THY F 6 31. 069 9. 45 3. 527 0. 5 87. 72 F ATOM 2633 C4'THY F 6 29. 737 8. 734 3. 523 0. 5 85. 42 F ATOM 2634 04'THY F 6 29. 283 8. 516 4. 882 0. 5 84. 59 F ATOM 2635 C1'THY F 6 28. 147 9. 332 5. 15 0. 5 82. 87 F ATOM 2636 C3'THY F 6 28. 63 9. 555 2. 862 0. 5 84. 25 F ATOM 2637 03'THY F 6 27. 645 8. 666 2. 327 0. 5 83. 09 F ATOM 2638 P ADE F 7 26. 569 9. 204 1. 263 0. 5 82. 1 F ATOM 2639 01P ADE F 7 27. 113 8. 916-0. 088 0. 5 81. 94 F ATOM 2640 02P ADE F 7 26. 183 10. 596 1. 617 0. 5 81. 5 F ATOM 2641 05'ADE F 7 25. 319 8. 247 1. 51 0. 5 81. 13 F ATOM 2642 N9 ADE F 7 24. 184 8. 961 4. 871 0. 5 80. 29 F ATOM 2643 C4 ADE F 7 24. 274 9. 22 6. 22 0. 5 80. 66 F ATOM 2644 N3 ADE F 7 23. 927 8. 407 7. 232 0. 5 80. 62 F ATOM 2645 C2 ADE F 7 24. 153 8. 994 8. 408 0. 5 80. 29 F ATOM 2646 N1 ADE F 7 24. 65 10. 209 8. 67 0. 5 80. 29 F ATOM 2647 C6 ADE F 7 24. 99 11. 005 7. 632 0. 5 80. 59 F ATOM 2648 N6 ADE F 7 25. 487 12. 217 7. 898 0. 5 80. 08 F ATOM 2649 C5 ADE F 7 24. 797 10. 499 6. 327 0. 5 80. 63 F ATOM 2650 N7 ADE F 7 25. 032 11. 038 5. 069 0. 5 80. 91 F ATOM 2651 C8 ADE F 7 24. 654 10. 089 4. 241 0. 5 80. 87 F ATOM 2652 C2'ADE F 7 22. 835 7. 855 3. 015 0. 5 77. 28 F ATOM 2653 C5'ADE F 7 25. 508 6. 839 1. 63 0. 5 79. 23 F ATOM 2654 C4'ADE F 7 24. 561 6. 254 2. 652 0. 5 77. 83 F ATOM 2655 04'ADE F 7 24. 784 6. 89 3. 938 0. 5 78. 89 F ATOM 2656 C1'ADE F 7 23. 677 7. 72 4. 274 0. 5 79. 04 F ATOM 2657 C3'ADE F 7 23. 092 6. 524 2. 329 0. 5 75. 7 F ATOM 2658 03'ADE F 7 22. 284 5. 474 2. 879 0. 5 71. 43 F ATOM 2659 P THY F 8 20. 774 5. 269 2. 365 0. 5 68. 44 F ATOM 2660 01P THY F 8 20. 483 6. 345 1. 384 0. 5 69. 03 F ATOM 2661 02P THY F 8 20. 59 3. 847 1. 978 0. 5 69. 12 F ATOM 2662 05'THY F 8 19. 895 5. 542 3. 663 0. 5 67. 4 F ATOM 2663 N1 THY F 8 20. 106 9. 535 7. 117 0. 5 59. 41 F ATOM 2664 C6 THY F 8 20. 308 10. 139 5. 893 0. 5 58. 88 F ATOM 2665 C2 THY F 8 20. 599 10. 088 8. 276 0. 5 59. 54 F ATOM 2666 02 THY F 8 20. 443 9. 583 9. 375 0. 5 59. 19 F ATOM 2667 N3 THY F 8 21. 288 11. 262 8. 101 0. 5 59. 33 F ATOM 2668 C4 THY F 8 21. 528 11. 922 6. 912 0. 5 58. 95 F ATOM 2669 04 THY F 8 22. 168 12. 972 6. 913 0. 5 57. 44 F ATOM 2670 C5 THY F 8 20. 981 11. 284 5. 733 0. 5 58. 86 F ATOM 2671 C5A THY F 8 21. 186 11. 926 4. 397 0. 5 59. 11 F ATOM 2672 C2'THY F 8 18. 155 8. 168 6. 273 0. 5 59. 65 F ATOM 2673 C5'THY F 8 20. 287 6. 542 4. 597 0. 5 63. 35 F ATOM 2674 C4'THY F 8 19. 607 6. 32 5. 925 0. 5 60. 72 F ATOM 2675 04'THY F 8 20. 226 7. 208 6. 883 0. 5 59. 8 F ATOM 2676 C1'THY F 8 19. 345 8. 272 7. 22 0. 5 59. 76 F ATOM 2677 C3'THY F 8 18. 126 6. 69 5. 928 0. 5 59. 27 F ATOM 2678 03'THY F 8 17. 416 5. 913 6. 899 0. 5 56. 33 F ATOM 2679 P ADE F 9 15. 887 6. 269 7. 249 0. 5 56. 13 F ATOM 2680 01P ADE F 9 15. 14 4. 986 7. 316 0. 5 55. 02 F ATOM 2681 02P ADE F 9 15. 412 7. 349 6. 342 0. 5 56. 28 F ATOM 2682 05'ADE F 9 15. 973 6. 849 8. 732 0. 5 53. 78 F ATOM 2683 N9 ADE F 9 17. 034 10. 13 9. 962 0. 5 45. 67 F ATOM 2684 C4 ADE F 9 17. 728 11. 29 10. 218 0. 5 46. 64 F ATOM 2685 N3 ADE F 9 18. 144 11. 742 11. 414 0. 5 45. 69 F ATOM 2686 C2 ADE F 9 18. 777 12. 907 11. 282 0. 5 46. 94 F ATOM 2687 N1 ADE F 9 19. 025 13. 62 10. 173 0. 5 46. 48 F ATOM 2688 C6 ADE F 9 18. 595 13. 135 8. 985 0. 5 46. 12 F ATOM 2689 N6 ADE F 9 18. 846 13. 843 7. 881 0. 5 46. 05 F ATOM 2690 C5 ADE F 9 17. 904 11. 904 8. 99 0. 5 46. 33 F ATOM 2691 N7 ADE F 9 17. 337 11. 142 7. 977 0. 5 45. 5 F ATOM 2692 C8 ADE F 9 16. 838 10. 103 8. 605 0. 5 45. 64 F ATOM 2693 C2'ADE F 9 15. 164 8. 705 10. 926 0. 5 45. 64 F ATOM 2694 C5'ADE F 9 16. 535 6. 054 9. 773 0. 5 49. 62 F ATOM 2695 C4'ADE F 9 16. 616 6. 821 11. 074 0. 5 47. 19 F ATOM 2696 04'ADE F 9 17. 423 8. 011 10. 89 0. 5 46. 26 F ATOM 2697 C1'ADE F 9 16. 608 9. 171 10. 981 0. 5 45. 63 F ATOM 2698 C3'ADE F 9 15. 267 7. 337 11. 574 0. 5 45. 87 F ATOM 2699 03'ADE F 9 15. 299 7. 43 13. 002 0. 5 44. 91 F ATOM 2700 P ADE F 10 14. 007 7. 948 13. 803 0. 5 44. 42 F ATOM 2701 01 P ADE F 10 12. 911 8. 176 12. 828 0. 5 45. 76 F ATOM 2702 02P ADE F 10 13. 791 7. 025 14. 944 0. 5 44. 25 F ATOM 2703 05'ADE F 10 14. 463 9. 36 14. 387 0. 5 42. 03 F ATOM 2704 N9 ADE F 10 14. 995 12. 975 13. 036 0. 5 41. 03 F ATOM 2705 C4 ADE F 10 15. 576 14. 06 12. 42 0. 5 41. 58 F ATOM 2706 N3 ADE F 10 16. 295 15. 038 12. 999 0. 5 41. 88 F ATOM 2707 C2 ADE F 10 16. 713 15. 921 12. 093 0. 5 42. 27 F ATOM 2708 N1 ADE F 10 16. 509 15. 941 10. 772 0. 5 42. 35 F ATOM 2709 C6 ADE F 10 15. 782 14. 946 10. 216 0. 5 42. 09 F ATOM 2710 N6 ADE F 10 15. 586 14. 972 8. 896 0. 5 42. 93 F ATOM 2711 C5 ADE F 10 15. 278 13. 941 11. 075 0. 5 41. 84 F ATOM 2712 N7 ADE F 10 14. 511 12. 805 10. 846 0. 5 42. 01 F ATOM 2713 C8 ADE F 10 14. 367 12. 271 12. 038 0. 5 41. 22 F ATOM 2714 C2'ADE F 10 13. 881 12. 135 15. 206 0. 5 39. 56 F ATOM 2715 C5'ADE F 10 15. 639 9. 46 15. 184 0. 5 39. 14 F ATOM 2716 C4'ADE F 10 15. 814 10. 852 15. 744 0. 5 39. 13 F ATOM 2717 04'ADE F 10 16. 158 11. 783 14. 688 0. 5 39. 2 F ADE F 10 15. 089 12. 693 14. 472 0. 5 39. 25 F ATOM 2719 C3'ADE F 10 14. 55 11. 433 16. 378 0. 5 38. 07 F ATOM 2720 03'ADE F 10 14. 954 12. 358 17. 397 0. 5 39. 68 F ATOM 2721 P ADE F 11 13. 869 12. 989 18. 406 0. 5 41. 55 F ATOM 2722 01P ADE F 11 14. 168 12. 469 19. 761 0. 5 40. 32 F ATOM 2723 02P ADE F 11 12. 499 12. 846 17. 847 0. 5 40. 3 F ATOM 2724 05'ADE F 11 14. 241 14. 534 18. 384 0. 5 43. 03 F ATOM 2725 N9 ADE F 11 14. 104 17. 59 14. 458 0. 5 50. 29 F ATOM 2726 C4 ADE F 11 14. 366 18. 048 13. 19 0. 5 51. 12 F ATOM 2727 N3 ADE F 11 15. 228 19. 015 12. 832 0. 5 51. 65 F ATOM 2728 C2 ADE F 11 15. 222 19. 184 11. 511 0. 5 51. 87 F ATOM 2729 N1 ADE F 11 14. 506 18. 546 10. 578 0. 5 51. 85 F ATOM 2730 C6 ADE F 11 13. 649 17. 578 10. 97 0. 5 51. 27 F ATOM 2731 N6 ADE F 11 12. 936 16. 941 10. 04 0. 5 50. 94 F ATOM 2732 C5 ADE F 11 13. 563 17. 301 12. 345 0. 5 51. 55 F ATOM 2733 N7 ADE F 11 12. 803 16. 393 13. 066 0. 5 50. 72 F ATOM 2734 C8 ADE F 11 13. 156 16. 606 14. 309 0. 5 51. 07 F ATOM 2735 C2'ADE F 11 13. 685 18. 149 16. 847 0. 5 48. 11 F ATOM 2736 C5'ADE F 11 14. 63 15. 138 17. 162 0. 5 46. 11 F ATOM 2737 C4'ADE F 11 15. 278 16. 478 17. 401 0. 5 47. 57 F ATOM 2738 04'ADE F 11 15. 623 17. 005 16. 102 0. 5 48. 82 F ATOM 2739 C1'ADE F 11 14. 711 18. 029 15. 718 0. 5 49. 54 F ATOM 2740 C3'ADE F 11 14. 391 17. 539 18. 043 0. 5 47. 73 F ATOM 2741 03'ADE F 11 15. 2 18. 469 18. 775 0. 5 47. 49 F ATOM 2742 P THY F 12 14. 552 19. 823 19. 351 0. 5 47. 08 F ATOM 2743 O1P THY F 12 13. 167 19. 536 19. 786 0. 5 47. 98 F ATOM 2744 02P THY F 12 15. 511 20. 414 20. 315 0. 5 46. 45 F ATOM 2745 05'THY F 12 14. 49 20. 77 18. 074 0. 5 48. 95 F ATOM 2746 N1 THY F 12 12. 709 21. 196 14. 35 0. 5 49. 84 F ATOM 2747 C6 THY F 12 11. 853 20. 349 15. 026 0. 5 49. 01 F ATOM 2748 C2 THY F 12 12. 832 21. 14 12. 976 0. 5 48. 97 F ATOM 2749 02 THY F 12 13. 584 21. 865 12. 345 0. 5 47. 26 F ATOM 2750 N3 THY F 12 12. 038 20. 202 12. 363 0. 5 49. 06 F ATOM 2751 C4 THY F 12 11. 157 19. 33 12. 969 0. 5 49. 32 F ATOM 2752 04 THY F 12 10. 511 18. 544 12. 278 0. 5 50. 16 F ATOM 2753 C5 THY F 12 11. 08 19. 436 14. 418 0. 5 49. 17 F ATOM 2754 C5A THY F 12 10. 153 18. 529 15. 166 0. 5 48. 93 F ATOM 2755 C2'THY F 12 13. 112 22. 687 16. 429 0. 5 51. 31 F ATOM 2756 C5'THY F 12 15. 68 21. 077 17. 354 0. 5 49. 19 F ATOM 2757 C4'THY F 12 15. 449 22. 224 16. 397 0. 5 50. 87 F ATOM 2758 04'THY F 12 14. 868 21. 744 15. 159 0. 5 50. 49 F ATOM 2759 C1'THY F 12 13. 53 22. 214 15. 048 0. 5 50. 65 F ATOM 2760 C3'THY F 12 14. 435 23. 22 16. 954 0. 5 52. 14 F ATOM 2761 03'THY F 12 14. 712 24. 513 16. 423 0. 5 55. 19 F ATOM 2762 P ADE F 13 14. 326 25. 819 17. 267 0. 5 57. 88 F ATOM 2763 O1P ADE F 13 15. 485 26. 146 18. 136 0. 5 56. 55 F ATOM 2764 02P ADE F 13 12. 991 25. 597 17. 875 0. 5 57. 52 F ATOM 2765 05'ADE F 13 14. 211 26. 939 16. 144 0. 5 59. 06 F ATOM 2766 N9 ADE F 13 11. 847 25. 971 13. 597 0. 5 65. 91 F ATOM 2767 C4 ADE F 13 11. 189 25. 162 12. 698 0. 5 66. 67 F ATOM 2768 N3 ADE F 13 11. 125 25. 307 11. 364 0. 5 67. 51 F ATOM 2769 C2 ADE F 13 10. 399 24. 332 10. 818 0. 5 67. 9 F ATOM 2770 N1 ADE F 13 9. 776 23. 304 11. 41 0. 5 67. 74 F ATOM 2771 C6 ADE F 13 9. 859 23. 186 12. 753 0. 5 67. 15 F ATOM 2772 N6 ADE F 13 9. 236 22. 163 13. 339 0. 5 67 F ATOM 2773 C5 ADE F 13 10. 602 24. 159 13. 451 0. 5 66. 95 F ATOM 2774 N7 ADE F 13 10. 882 24. 331 14. 799 0. 5 66. 52 F ATOM 2775 C8 ADE F 13 11. 621 25. 416 14. 833 0. 5 66. 34 F ATOM 2776 C2'ADE F 13 12. 497 28. 31 14. 278 0. 5 63. 66 F ATOM 2777 C5'ADE F 13 15. 295 27. 172 15. 247 0. 5 61. 31 F ATOM 2778 C4'ADE F 13 14. 795 27. 784 13. 959 0. 5 62. 89 F ATOM 2779 04'ADE F 13 13. 999 26. 81 13. 239 0. 5 63. 16 F ATOM 2780 C1'ADE F 13 12. 622 27. 171 13. 275 0. 5 64. 24 F ATOM 2781 C3'ADE F 13 13. 861 28. 968 14. 191 0. 5 62. 99 F ATOM 2782 03'ADE F 13 13. 953 29. 872 13. 091 0. 5 63. 44 F ATOM 2783 P GUA F 14 13. 247 31. 309 13. 175 0. 5 62. 68 F ATOM 2784 01P GUA F 14 14. 301 32. 314 12. 903 0. 5 63. 24 F ATOM 2785 02P GUA F 14 12. 461 31. 394 14. 43 0. 5 63. 46 F ATOM 2786 05'GUA F 14 12. 253 31. 289 11. 93 0. 5 63. 97 F ATOM 2787 N9 GUA F 14 9. 361 28. 809 11. 502 0. 5 65. 76 F ATOM 2788 C4 GUA F 14 8. 649 27. 647 11. 321 0. 5 66. 23 F ATOM 2789 N3 GUA F 14 8. 175 27. 19 10. 141 0. 5 66. 05 F ATOM 2790 C2 GUA F 14 7. 517 26. 053 10. 279 0. 5 65. 88 F ATOM 2791 N2 GUA F 14 6. 98 25. 464 9. 204 0. 5 66. 17 F ATOM 2792 N1 GUA F 14 7. 337 25. 411 11. 479 0. 5 65. 97 F ATOM 2793 C6 GUA F 14 7. 817 25. 86 12. 707 0. 5 66. 52 F ATOM 2794 06 GUA F 14 7. 598 25. 198 13. 73 0. 5 65. 48 F ATOM 2795 C5 GUA F 14 8. 528 27. 089 12. 572 0. 5 66. 24 F ATOM 2796 N7 GUA F 14 9. 161 27. 879 13. 526 0. 5 66. 31 F ATOM 2797 C8 GUA F 14 9. 643 28. 884 12. 844 0. 5 66. 14 F ATOM 2798 C2'GUA F 14 9. 6 31. 24 10. 748 0. 5 65. 39 F ATOM 2799 C5'GUA F 14 12. 765 31. 084 10. 615 0. 5 63. 8 F ATOM 2800 C4'GUA F 14 11. 654 30. 768 9. 639 0. 5 64. 46 F ATOM 2801 04'GUA F 14 11. 031 29. 512 10. 006 0. 5 64. 6 F ATOM 2802 C1'GUA F 14 9. 706 29. 757 10. 45 0. 5 65. 51 F ATOM 2803 C3'GUA F 14 10. 524 31. 8 9. 681 0. 5 65. 03 F ATOM 2804 03'GUA F 14 9. 86 31. 823 8. 408 0. 5 65. 67 F ATOM 2805 P CYT F 15 8. 801 32. 985 8. 07 0. 5 65. 68 F ATOM 2806 01 P CYT F 15 9. 329 33. 723 6. 895 0. 5 65. 74 F ATOM 2807 02P CYT F 15 8. 486 33. 722 9. 321 0. 5 65. 09 F ATOM 2808 05'CYT F 15 7. 501 32. 193 7. 598 0. 5 66. 05 F ATOM 2809 N1 CYT F 15 4. 498 28. 839 10. 285 0. 5 68. 81 F ATOM 2810 C6 CYT F 15 5. 448 29. 402 11. 091 0. 5 68. 95 F ATOM 2811 C2 CYT F 15 3. 688 27. 813 10. 767 0. 5 69. 18 F ATOM 2812 02 CYT F 15 2. 832 27. 33 10. 004 0. 5 69. 66 F ATOM 2813 N3 CYT F 15 3. 859 27. 373 12. 043 0. 5 69. 21 F ATOM 2814 C4 CYT F 15 4. 798 27. 929 12. 818 0. 5 69. 13 F ATOM 2815 N4 CYT F 15 4. 945 27. 472 14. 067 0. 5 69. 69 F ATOM 2816 C5 CYT F 15 5. 632 28. 982 12. 348 0. 5 68. 87 F ATOM 2817 C2'CYT F 15 3. 93 30. 771 8. 784 0. 5 69. 14 F ATOM 2818 C5'CYT F 15 7. 052 31. 028 8. 293 0. 5 67. 58 F ATOM 2819 C4'CYT F 15 5. 92 30. 368 7. 542 0. 5 68. 38 F ATOM 2820 04'CYT F 15 5. 565 29. 147 8. 231 0. 5 68. 8 F ATOM 2821 C1'CYT F 15 4. 316 29. 3 8. 902 0. 5 68. 96 F ATOM 2822 C3'CYT F 15 4. 636 31. 195 7. 51 0. 5 69. 31 F ATOM 2823 03'CYT F 15 3. 862 30. 873 6. 349 0. 5 70. 53 F ATOM 2824 P THY F 16 2. 404 31. 523 6. 153 0. 5 71. 59 F ATOM 2825 01P THY F 16 2. 418 32. 878 6. 759 0. 5 71. 93 F ATOM 2826 02P THY F 16 2. 031 31. 365 4. 724 0. 5 71. 83 F ATOM 2827 05'THY F 16 1. 444 30. 588 7. 02 0. 5 72. 38 F ATOM 2828 N1 THY F 16 0. 023 29. 451 10. 524 0. 5 76. 78 F ATOM 2829 C6 THY F 16 0. 997 30. 421 10. 632 0. 5 76. 54 F ATOM 2830 C2 THY F 16-0. 243 28. 587 11. 567 0. 5 77. 02 F ATOM 2831 02 THY F 16-1. 093 27. 714 11. 506 0. 5 77. 37 F ATOM 2832 N3 THY F 16 0. 525 28. 785 12. 688 0. 5 76. 73 F ATOM 2833 C4 THY F 16 1. 511 29. 737 12. 867 0. 5 76. 5 F ATOM 2834 04 THY F 16 2. 118 29. 795 13. 934 0. 5 75. 82 F ATOM 2835 C5 THY F 16 1. 741 30. 606 11. 733 0. 5 76. 43 F ATOM 2836 C5A THY F 16 2. 79 31. 668 11. 836 0. 5 76. 41 F ATOM 2837 C2'THY F 16-1. 055 30. 542 8. 466 0. 5 76. 32 F ATOM 2838 C5'THY F 16 1. 148 29. 261 6. 583 0. 5 74. 43 F ATOM 2839 C4'THY F 16-0. 216 28. 819 7. 068 0. 5 75. 38 F ATOM 2840 04'THY F 16-0. 13 28. 366 8. 44 0. 5 75. 73 F ATOM 2841 C1'THY F 16-0. 784 29. 294 9. 296 0. 5 76. 35 F ATOM 2842 C3'THY F 16-1. 247 29. 946 7. 081 0. 5 76. 02 F ATOM 2843 03'THY F 16-2. 575 29. 406 7. 04 0. 5 75. 69 F ATOM 2844 OH2 TIP S 1 29. 142 15. 025 45. 08 1 24. 34 S ATOM 2845 OH2 TIP S 2 20. 09 10. 325 23. 761 1 25. 67 S ATOM 2846 OH2 TIP S 3 16. 519 20. 333 22. 939 1 26. 04 S ATOM 2847 OH2 TIP S 4 18. 097 16. 059 15. 053 1 27. 4 S ATOM 2848 OH2 TIP S 5 18. 451 13. 472 16. 71 1 36. 81 S ATOM 2849 OH2 TIP S 6 18. 316 22. 633 23. 229 1 27. 72 S ATOM 2850 OH2 TIP S 7 14. 299 15. 206 21. 167 1 30. 37 S ATOM 2851 OH2 TIP S 8 18. 596 11. 79 14. 187 1 30. 89 S ATOM 2852 OH2 TIP S 9 21. 459 12. 83 22. 815 1 33. 81 S ATOM 2853 OH2 TIP S 10 30. 379 20. 592 35. 643 1 36. 24 S ATOM 2854 OH2 TIP S 11 23. 534 35. 373 24. 218 1 39. 96 S ATOM 2855 OH2 TIP S 12 20. 944 20. 933 18. 743 1 36. 96 S ATOM 2856 OH2 TIP S 13 23. 141 17. 171 19. 925 1 28. 27 S ATOM 2857 OH2 TIP S 14 10. 243 5. 284 22. 771 1 37. 73 S ATOM 2858 OH2 TIP S 15 13. 787 8. 52 18. 731 1 43. 8 S ATOM 2859 OH2 TIP S 16 16. 467 11. 223 19. 656 1 40. 76 S ATOM 2860 OH2 TIP S 17 13. 73 30. 796 29. 899 1 39. 87 S ATOM 2861 OH2 TIP S 18 18. 392 18. 589 16. 434 1 33. 68 S ATOM 2862 OH2 TIP S 19 17. 179 5. 22 34. 519 1 31. 66 S ATOM 2863 OH2 TIP S 20 22. 778 26. 507 15. 468 1 32. 93 S ATOM 2864 OH2 TIP S 21 21. 917 33. 784 27. 36 1 39. 68 S ATOM 2865 OH2 TIP S 22 17. 466 25. 312 12. 192 1 38. 62 S ATOM 2866 OH2 TIP S 23 9. 827 27. 322 40. 333 1 37. 6 S ATOM 2867 OH2 TIP S 24 17. 232 19. 871 13. 929 1 33. 91 S ATOM 2868 OH2 TIP S 25 11. 454 5. 471 18. 746 1 57. 25 S ATOM 2869 OH2 TIP S 26 26. 802 23. 341 15. 825 1 45. 84 S ATOM 2870 OH2 TIP S 27 11. 38 14. 402 38. 26 1 34. 57 S ATOM 2871 OH2 TIP S 28 19. 911 23. 122 17. 092 1 38. 88 S ATOM 2872 OH2 TIP S 29 21. 977 2. 073 35. 656 1 44. 4 S ATOM 2873 OH2 TIP S 30 16. 657 22. 83 13. 57 1 35. 97 S ATOM 2874 OH2 TIP S 31 20. 395 33. 744 15. 089 1 44. 62 S ATOM 2875 OH2 TIP S 32 7. 636 16. 976 13. 008 1 72. 43 S ATOM 2876 OH2 TIP S 33 15. 567-2. 117 27. 861 1 43. 14 S ATOM 2877 OH2 TIP S 34 18. 706 6. 108 12. 916 1 41. 76 S ATOM 2878 OH2 TIP S 35 23. 701 3. 88 36. 575 1 39. 9 S ATOM 2879 OH2 TIP S 36 20. 06 6. 805 46. 316 1 41. 32 S ATOM 2880 OH2 TIP S 37 6. 011 19. 864 24. 761 1 46. 86 S ATOM 2881 OH2 TIP S 38 18. 195-0. 576 20. 837 1 37. 08 S ATOM 2882 OH2 TIP S 39 12. 605 3. 371 31. 8 1 53. 09 S ATOM 2883 OH2 TIP S 40 23. 564 29. 454 32. 441 1 51. 92 S ATOM 2884 OH2 TIP S 41 31. 079 12. 355 49. 138 1 50. 61 S ATOM 2885 OH2 TIP S 42 26. 376 3. 231 30. 536 1 58. 84 S ATOM 2886 OH2 TIP S 44 13. 811 36. 622 18. 367 1 44. 45 S ATOM 2887 OH2 TIP S 45 13. 78 5. 917 17. 766 1 48. 78 S ATOM 2888 OH2 TIP S 46 11. 419 2. 951 20. 124 1 47. 73 S ATOM 2889 OH2 TIP S 47 9. 119 9. 213 19. 221 1 50. 49 S ATOM 2890 OH2 TIP S 48 11. 307 9. 443 17. 23 1 62. 07 S ATOM 2891 OH2 TIP S 49 9. 584 11. 503 15. 955 1 58. 22 S ATOM 2892 OH2 TIP S 50 30. 436-5. 909 31. 072 1 60 83 S ATOM 2893 OH2 TRIP S 51 23. 719-3. 646 19. 206 1 71. 6 S ATOM 2894 OH2 TIP S 52 28. 56 3. 048 28. 948 1 67. 37 S ATOM 2895 OH2 TIP S 53 33. 922 6. 054 18. 761 1 61. 44 S ATOM 2896 OH2 TIP S 54 33. 256 8. 361 16. 654 1 65 S ATOM 2897 OH2 TIP S 55 33. 757 9. 778 20. 809 1 71. 76 S ATOM 2898 OH2 TIP S 56 25. 5 16. 26 18. 872 1 35. 61 S ATOM 2899 OH2 TIP S 57 28. 623-7. 399 24. 854 1 57. 24 S ATOM 2900 OH2 TIP S 58-31. 12 11. 169 21. 943 1 61. 49 S ATOM 2901 OH2 TIP S 59 19. 681 32. 157 33. 85 1 55. 48 S ATOM 2902 OH2 TIP S 60 30. 587 22. 565 37. 614 1 45. 93 S ATOM 2903 OH2 TIP S 61 22. 579 30. 836 40. 167 1 52. 31 S ATOM 2904 OH2 TIP S 62 30. 873 16. 668 43. 266 1 48. 01 S ATOM 2905 OH2 TIP S 63 11. 418 12. 212 40. 135 1 50. 11 S ATOM 2906 OH2 TIP S 64 6. 109 19. 942 27. 376 1 51. 75S ATOM 2907 OH2 TIP S 65 8. 459 21. 211 27. 979 1 44. 84 S ATOM 2908 OH2 TIP S 66 11. 427 27. 067 18. 658 1 50. 67 S ATOM 2909 OH2 TIP S 67 7. 278 15. 474 17. 391 1 63. 29 S ATOM 2910 OH2 TIP S 68 7. 507 15. 987 8. 776 1 62. 63 S ATOM 2911 OH2 TIP S 69 9. 601 19. 024 21. 596 1 52. 09 S ATOM 2912 OH2 TIP S 70 1. 53-7. 671 17. 323 1 60. 2 S ATOM 2913 OH2 TIP S 71 16. 391 33. 368 17. 141 1 43. 04 S ATOM 2914 OH2 TIP S 72 11. 519 18. 13 20. 451 1 67. 02 S ATOM 2915 OH2 TIP S 73 8. 05 29. 238 31. 966 1 64. 19 S ATOM 2916 OH2 TIP S 74 32. 885 24. 304 37. 621 1 49. 93 S ATOM 2917 OH2 TIP S 75 28. 172 30. 944 25. 805 1 68. 32 S ATOM 2918 OH2 TIP S 76 32. 344 36. 079 26. 315 1 74. 82 S ATOM 2919 OH2 TIP S 77 27. 1 35. 289 21. 424 1 58. 54 S ATOM 2920 OH2 TIP S 78 35. 646 32. 394 28. 421 1 56. 08 S ATOM 2921 OH2 TIP S 79 28. 348 37. 16 18. 871 1 62. 21 S ATOM 2922 OH2 TIP S 80 27. 026 32. 575 18. 159 1 66. 05 S ATOM 2923 OH2 TIP S 81 25. 963 29. 7 16. 857 1 53. 31 S ATOM 2924 OH2 TIP S 82 25. 629 38. 432 22. 509 1 59. 46 S ATOM 2925 OH2 TIP S 83 26. 003 24. 829 18. 291 1 51. 15 S ATOM 2926 OH2 TIP S 84 25. 143 26. 574 15. 72 1 37. 89 S ATOM 2927 OH2 TIP S 85 30. 127 22. 493 12. 775 1 61. 59 S ATOM 2928 OH2 TIP S 86 28. 638 20. 336 10. 277 1 64. 84 S ATOM 2929 OH2 TIP S 87 23. 253 21. 791 6. 422 1 51. 31 S ATOM 2930 OH2 TIP S 88 29. 649 26. 163 16. 686 1 40. 81 S ATOM 2931 OH2 TIP S 89 31. 544 17. 966 11. 698 1 61. 08 S ATOM 2932 OH2 TIP S 90 32. 245 15. 767 19. 127 1 60. 48 S ATOM 2933 OH2 TIP S 91 34. 111 26. 191 34. 797 1 60. 02 S ATOM 2934 OH2 TIP S 92 25. 834 11. 111 51. 379 1 63. 9 S ATOM 2935 OH2 TIP S 93 3. 352 13. 717 41. 89 1 57. 84 S ATOM 2936 OH2 TIP S 94 6. 143 12. 443 38. 425 1 70. 96 S ATOM 2937 OH2 TIP S 95 4. 305 15. 735 39. 809 1 55. 9 S ATOM 2938 OH2 TIP S 96 3. 86 10. 399 40. 802 1 66. 53 S ATOM 2939 OH2 TIP S 97 7. 577 17. 925 50. 202 1 71. 55 S ATOM 2940 OH2 TIP S 98 6. 766 22. 051 55. 836 1 60. 89 S ATOM 2941 OH2 TIP S 99 14. 485 9. 789 49. 832 1 49. 36 S ATOM 2942 OH2 TIP S 100 14. 278 4. 548 45. 078 1 65. 27 S ATOM 2943 OH2 TIP S 101 32. 067 8. 713 27. 517 1 46. 57 S ATOM 2944 OH2 TIP S 102 30. 404 12. 488 25. 927 1 57 S ATOM 2945 OH2 TIP S 103 32. 691 13. 338 23. 207 1 48. 23 S ATOM 2946 OH2 TIP S 104 22. 853 16. 094 55. 593 1 58. 15 S ATOM 2947 OH2 TIP S 105 18. 891 21. 538 54. 141 1 59. 2 S ATOM 2948 OH2 TIP S 106 23. 505 21. 41 55. 983 1 62. 75 S ATOM 2949 OH2 TIP S 107 35. 502 16. 948 30. 009 1 59. 18 S ATOM 2950 OH2 TIP S 108 35. 408 12. 116 31. 289 1 55. 88 S ATOM 2951 OH2 TIP S 109 7. 307 38. 941 22. 469 1 43. 67 S ATOM 2952 OH2 TIP S 110 6. 738 39. 636 19. 171 1 54. 12 S ATOM 2953 OH2 TIP S 111 27. 393 26. 952 19. 045 1 45. 83 S ATOM 2954 OH2 TIP S 112 22. 318 24. 037 16. 665 1 59. 9 S ATOM 2955 OH2 TIP S 113 18. 276 23. 983 15. 285 1 45. 04 S ATOM 2956 OH2 TIP S 114 10. 605 28. 907 5. 204 1 57. 59 S ATOM 2957 OH2 TIP S 115 14. 766 1. 466 9. 575 1 52. 31 S ATOM 2958 OH2 TIP S 116 20. 534-4. 05 20. 428 1 48. 5 S ATOM 2959 OH2 TIP S 117 14. 244-5. 905 21. 771 1 60. 51 S ATOM 2960 OH2 TIP S 118 25. 19-3. 496 25. 343 1 64. 96 S ATOM 2961 OH2 TIP S 119 37. 11-1. 151 3. 501 1 62. 78 S ATOM 2962 OH2 TIP S 120 37. 756 0. 682 11. 221 1 57. 38 S ATOM 2963 OH2 TIP S 121 37. 891 1. 891 13. 802 1 62. 11 S ATOM 2964 OH2 TIP S 122 40. 663 2. 174 8. 816 1 69. 48 S ATOM 2965 OH2 TIP S 123 37. 481 4. 728 20. 773 1 73. 02 S ATOM 2966 OH2 TIP S 124 36. 953 5. 957 24. 202 1 70. 48 S ATOM 2967 OH2 TIP S 125-1. 5 32. 909 4. 874 1 71. 85S ATOM 2968 OH2 TIP S 126-4. 295 29. 52 13. 558 1 75. 74 S ATOM 2969 OH2 TIP S 127-1. 83 28. 562 21. 731 1 69. 56 S ATOM 2970 OH2 TIP S 128-2. 458 22. 901 24. 548 1 73. 86 S ATOM 2971 OH2 TIP S 129 0. 779 24. 255 25. 979 1 66. 02S ATOM 2972 OH2 TIP S 130 0. 264 27. 394 25. 199 1 91. 57 S ATOM 2973 OH2 TIP S 131 1. 885 29. 526 26. 582 1 63. 32 S ATOM 2974 OH2 TIP S 132 1. 761 22. 775 20. 993 1 67. 54 S ATOM 2975 OH2 TIP S 133 36. 151 6. 663 5. 71 1 72. 22 S ATOM 2976 OH2 TIP S 134 30. 247-4. 43 8. 907 1 73. 03 S ATOM 2977 OH2 TIP S 135 22. 161-2. 766 10. 962 1 66. 38 S ATOM 2978 OH2 TIP S 136 24. 266-4. 097 11. 885 1 74. 68 S ATOM 2979 OH2 TIP S 137 15. 895 5. 855 15. 566 1 49. 49 S ATOM 2980 OH2 TIP S 138 17. 989 7. 751 16. 333 1 49. 14 S ATOM 2981 OH2 TIP S 139 16. 361 8. 564 18. 203 1 47. 35 S ATOM 2982 OH2 TIP S 140 19. 339 9. 279 14. 041 1 57. 86 S ATOM 2983 OH2 TIP S 141 11. 527 7. 835 21. 469 1 48. 86 S ATOM 2984 OH2 TIP S 142 4. 288 17. 48 7. 783 1 69. 97 S ATOM 2985 OH2 TIP S 143 17. 744 25. 476 0. 792 1 64. 96 S ATOM 2986 OH2 TIP S 144 15. 475 20. 473 2. 489 1 73. 28 S ATOM 2987 OH2 TIP S 145 10. 716 14. 859 11. 432 1 69. 9 S ATOM 2988 OH2 TIP S 146 11. 572 10. 438 12. 14 1 58. 56 S ATOM 2989 OH2 TIP S 147 11. 835 15. 4 6. 194 1 62. 29 S ATOM 2990 OH2 TIP S 148 12. 76 9. 967 7. 525 1 72. 24 S ATOM 2991 OH2 TIP S 149 16. 391 21. 999 11. 181 1 72. 27 S ATOM 2992 OH2 TIP S 150 21. 331 17. 103 6. 022 1 66. 82 S ATOM 2993 OH2 TIP S 151 25. 977 13. 555 18. 892 1 52. 76 S ATOM 2994 OH2 TIP S 152 31. 787 5. 95 16. 472 1 61. 99S ATOM 2995 OH2 TIP S 153 25. 62 16. 981 15. 012 1 51. 57 S ATOM 2996 OH2 TIP S 154 23. 994 21. 114 10. 248 1 58. 32 S ATOM 2997 OH2 TIP S 155 19. 902 25. 771 13. 714 1 54. 74 S ATOM 2998 OH2 TIP S 156 15. 085 35. 319 11. 084 1 66 S ATOM 2999 OH2 TIP S 157 8. 894 27. 737 17. 004 1 77. 92 S ATOM 3000 OH2 TIP S 158 10. 204 30. 066 17. 136 1 57. 03 S ATOM 3001 OH2 TIP S 159 10. 103 31. 728 15. 067 1 64. 49 S ATOM 3002 OH2 TIP S 160 6. 766 19. 585 15. 075 1 54. 04 S ATOM 3003 OH2 TIP S 161 6. 538 17. 376 6. 351 1 72. 34 S ATOM 3004 OH2 TIP S 162 13. 583 33. 724 29. 225 1 61. 85 S ATOM 3005 OH2 TIP S 163 11. 001 30. 258 30. 129 1 60. 25 S ATOM 3006 OH2 TIP S 164 17. 716 2. 55 32. 615 1 51. 16 S ATOM 3007 OH2 TIP S 165 17. 936 0. 222 30. 053 1 56. 04 S ATOM 3008 OH2 TIP S 166 19. 5-3. 342 34. 722 1 54. 51 S ATOM 3009 OH2 TIP S 167 22. 869-4. 429 37. 065 1 75. 02 S ATOM 3010 OH2 TIP S 168 17. 605 31. 078 35. 697 1 48. 54 S ATOM 3011 OH2 TIP S 169 17. 885 6. 163 47. 696 1 45. 52 S ATOM 3012 OH2 TIP S 170 23. 239 8. 197 49. 666 1 51. 54 S ATOM 3013 OH2 TIP S 171 28. 644 5. 417 46. 594 1 75. 16 S ATOM 3014 OH2 TIP S 172 32. 373 16. 69 46. 491 1 55. 42 S ATOM 3015 OH2 TIP S 173 33. 062 8. 266 38. 945 1 41. 98 S ATOM 3016 OH2 TIP S 174 35. 33 9. 932 29. 776 1 62. 61 S ATOM 3017 OH2 TIP S 175 34. 367 12. 761 26. 53 1 68. 81 S ATOM 3018 OH2 TIP S 176 33. 454 10. 838 28. 117 1 68. 5 S ATOM 3019 OH2 TIP S 177 37. 615 22. 07 10. 642 1 67. 29 S ATOM 3020 OH2 TIP S 178 36. 053 24. 4 12. 554 1 72. 06 S ATOM 3021 OH2 TIP S 179 15. 613 25. 565 51. 49 1 70. 26 S ATOM 3022 OH2 TIP S 180 15. 369 22. 548 51. 501 1 61. 25 S ATOM 3023 OH2 TIP S 181 16. 63 20. 868 47. 459 1 64. 62 S ATOM 3024 OH2 TIP S 182 10. 069 18. 903 49. 678 1 68. 41 S ATOM 3025 OH2 TIP S 183 7. 273 15. 029 44. 467 1 59 S ATOM 3026 OH2 TIP S 184 7. 539 11. 788 43. 861 1 63. 88 S ATOM 3027 OH2 TIP S 185 10. 869-0. 665 23. 662 1 60. 5 S ATOM 3028 OH2 TIP S 186 13. 157-3. 432 20. 669 1 56. 26 S ATOM 3029 OH2 TIP S 187 16. 334-7. 293 23. 47 1 78. 08 S ATOM 3030 OH2 TIP S 188 30. 628 22. 727 41. 701 1 73. 95 S ATOM 3031 OH2 TIP S 189 5. 443 18. 586 37. 598 1 55. 97 S ATOM 3032 OH2 TIP S 190 4. 239 16. 501 37. 408 1 52. 97 S ATOM 3033 OH2 TIP S 191-1. 563 9. 229 13. 885 1 77. 82 S ATOM 3034 OH2 TIP S 192-9. 817 7. 306 5. 498 1 60. 82 S ATOM 3035 OH2 TIP S 193 4. 424 26. 671 6. 654 1 76. 4 S ATOM 3036 OH2 TIP S 194 5. 198 24. 218 18. 016 1 65. 57 S ATOM 3037 OH2 TIP S 195 2. 838 17. 441 10. 983 1 68. 29 S ATOM 3038 OH2 TIP S 196 1. 046 20. 285 1. 998 1 58. 6 S ATOM 3039 OH2 TIP S 197 10. 905 15. 409 17. 034 1 71. 73 S ATOM 3040 OH2 TIP S 198 7. 839 11. 613 17. 827 1 61. 7 S ATOM 3041 OH2 TIP S 199 7. 57 14. 316 20. 076 1 66. 52 S ATOM 3042 OH2 TIP S 200 17. 119 14. 502 4. 76 1 53. 31 S ATOM 3043 OH2 TIP S 201 27. 836 9. 838 15. 017 1 72. 95 S ATOM 3044 OH2 TIP S 202 29. 208 26. 512 31. 36 1 67. 53 S ATOM 3045 OH2 TIP S 203 31. 036 28. 615 29. 87 1 72. 32 S ATOM 3046 OH2 TIP S 204 9. 423 26. 336 42. 666 1 60. 09 S ATOM 3047 OH2 TIP S 205 28. 654 28. 391 44. 143 1 55. 91 S ATOM 3048 OH2 TIP S 206 20. 031 29. 431 49. 883 1 75. 09 S ATOM 3049 OH2 TIP S 207 29. 111 26. 64 48. 787 1 73. 22 S ATOM 3050 OH2 TIP S 208 32. 671 26. 905 49. 617 1 61. 72 S ATOM 3051 OH2 TIP S 209 34. 604 21. 424 50. 498 1 57. 38 S ATOM 3052 OH2 TIP S 210 34. 883 10. 548 49. 233 1 79. 74 S ATOM 3053 OH2 TIP S 211 33. 954 5. 561 40. 402 1 76. 77 S ATOM 3054 OH2 TIP S 212 32. 404 2. 153 41. 604 1 57. 23 S ATOM 3055 OH2 TIP S 213 28. 193 1. 952 45. 457 1 77. 05 S ATOM 3056 OH2 TIP S 214 25. 12 2. 809 44. 511 1 59. 97 S ATOM 3057 OH2 TIP S 215 21. 769 3. 849 42. 519 1 67. 03 S ATOM 3058 OH2 TIP S 216 19. 402-1. 729 41. 499 1 71. 87 S ATOM 3059 OH2 TIP S 217 12. 913 7. 15 46. 341 1 58. 05 S ATOM 3060 OH2 TIP S 218 10. 704 13. 984 42. 534 1 77. 54 S ATOM 3061 OH2 TIP S 219 7. 885 13. 637 40. 221 1 66. 31 S ATOM 3062 OH2 TIP S 220 6. 83 22. 796 49. 271 1 61. 27 S ATOM 3063 OH2 TIP S 221 9. 678 13. 42 61. 929 1 57. 34 S ATOM 3064 OH2 TIP S 222 16. 386 9. 821 57. 457 1 63. 72 S ATOM 3065 OH2 TIP S 223 21. 057 15. 64 21. 288 1 58. 74 S ATOM 3066 OH2 TIP S 224 21. 435 36. 913 20. 959 1 55. 25 S ATOM 3067 OH2 TIP S 225 16. 09 36. 048 29. 017 1 67. 44 S ATOM 3068 OH2 TIP S 226 8. 448 44. 167 23. 801 1 62. 11 S ATOM 3069 OH2 TIP S 227 7. 296 25. 27 29. 83 1 64. 73 S ATOM 3070 OH2 TIP S 228 5. 413 23. 263 32. 363 1 61. 05 S ATOM 3071 OH2 TIP S 229 6. 426 20. 424 30. 06 1 77. 7 S ATOM END