A. Title:

DEMETHYLATION AND INACTIVATION OF PROTEIN PHOSPHATASE 2A

B. Cross-Reference to Related Applications:

[0001] This application claims priority to and benefit of U.S. Provisional Application No. 61/063,636 entitled "Structural Mechanism of Demethylation and Inactivation of Protein Phosphatase 2A'\ filed on February 5, 2008; the entire contents of which is hereby incorporated by reference in its entirety.

C. Government Interests:

[0002] This invention was made with government support under 5 ROl CA123155 and 1 KOl CA 124856 awarded by the National Institutes of Health. The government has certain rights in the invention.

D. Parties to a Joint Research Agreement: Not applicable

E. Incorporation by Reference of Material submitted on a Compact Disc: Not applicable

F. Background

1. Field of Invention: Not applicable

2. Description of Related Art: Not applicable

G. Brief summary of the invention:

[0003] In some embodiments the present invention provides compositions comprising a crystal of PME-I. In some other embodiments, the present invention provides a composition comprising a crystal comprising PME-I and PP2A.

[0004] In some embodiments, the present invention provides methods for preparing a PME-I modulating compound comprising applying a three-dimensional molecular modeling algorithm to the atomic coordinates of at least a portion of PME-I alone or in complex with PP2A; determining spatial coordinates of the at least a portion of PME-I alone or in complex with PP2A; electronically screening stored spatial coordinates of candidate compounds against the spatial coordinates of the at least a portion of PME-I alone or in complex with PP2A; identifying a compound that is substantially similar to the at least a portion of PME-I alone or in complex with PP2A; and synthesizing the identified compound.

[0005] In some other embodiments, the present invention provides pharmaceutical compositions comprising an effective amount of a compound having a three-dimensional

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structure corresponding to atomic coordinates of at least a portion of PME-I anda pharmaceutically acceptable excipient or carrier.

[0006] In some embodiments, the present invention provides for systems for identifying PME-I and/or PP2A modulators comprising a processor; and a processor readable storage medium in communication with the processor readable storage medium comprising the atomic coordinates of at least a portion of PME-I alone or in complex with PP2A.

[0007] In some embodiments, the present invention provides for PME-I and/or PP2A binding compounds comprising a molecule having a three-dimensional structure corresponding to atomic coordinates derived from at least a portion of an atomic model of PME-I alone or in complex with PP2A. H. Description of Drawings:

[0008] For a fuller understanding of the nature and advantages of the present invention, reference should be made to the following detailed description taken in connection with the accompanying drawings. The file of this patent contains at least one drawing/photograph executed in color. Copies of this patent with color drawing(s)/photograph(s) will be provided to the USPTO upon request and payment of the necessary fee. All figures where structural representations are shown were prepared using MOLSCRlPT (Kraulis (1991) J Appl Crystallogr 24:946-950) and GRASP (Nicholls et al. (1991) Proteins: Struct Fund Genet 11 :281-296).

[0009] Figure 1. Structure of the PP2A-specific methyl esterase- 1 (PME-I). (A) Structure of PME-I in stereo. The core structural elements are colored cyan and the cap domain in orange. The catalytic residue Serl56 is labeled. (B) Sequence alignment of PME-I from human, frog, fruit fly, worm, and yeast. Secondary structural elements are indicated above the alignment.

[0010] Figure 2. Structure of PME-I bound to the PP2A core enzyme. (A) Structure of the PP2A-PME-1 complex in two views related by a vertical rotation of 90 degrees. The scaffold and catalytic subunits are colored green and blue, respectively. PME-I is shown in yellow. The carboxy-terminal peptide is highlighted in magenta. The coloring scheme is preserved in Figs. 3- 5. (B) Structure overlay of the PP2 A-PME-I complex and the PP2A core enzyme. The A and C subunit of the PP2A core enzyme are colored pink and cyan, respectively. This analysis indicates that PME-I does not directly bind to the A subunit. (C) A slice of the surface representation of

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PME-I to show the recognition of the carboxy-terminal peptide of the C subunit. Leu309 is labeled.

[0011] Figure 3. Interface between PME-I and the C subunit of the PP2A core enzyme. (A) PME-I and the C subunit form an S-shaped interface. A slice of the complex is shown. (B) A close-up view of the interface in stereo. Residues from PME-I and the C subunit are shown in green and magenta, respectively. H-bonds are represented by dotted lines.

[0012] Figure 4. Activation of PME-I. (A) Recognition of the carboxy-terminal peptide of the C subunit by PME-I . In this stereo view, 2Fo-Fc electron density is shown at 1.5σ level around the peptide (magenta). H-bonds are represented by dotted lines. (B) Structural comparison of free PME-I (cyan) and the PP2A-bound PME-I (yellow). Only regions around the active site of PME-I are shown. The carboxy-terminal peptide of the C subunit is shown in magenta. (C) Stereo view of the conformational changes at the active site, d, Mutation of the catalytic triad residues resulted in marked reduction of the methylesterase activity of PME-I.

[0013] Figure 5. Inactivation of PP2A by PME-I. (A) A stereo view of the PME-I- PP2A interface at the active site region of the C subunit. 2Fo-Fc electron density is shown at 1.5σ level surrounding side chains of Met335 in PME-I and the residues that are involved in binding to metal atoms in the C subunit. (B) Structural overlay of the PME- 1 -PP2A interface with the active site of the C subunit in the PP2A core enzyme. The C subunit in the PP2A core enzyme is colored cyan, with the side chains shown in gold. The two manganese metal atoms and okadaic acid are colored grey.

[0014] Figure 6. A structure-based model of PME-I function in PP2A regulation. In this model, PME-I has two roles: demethylation and inactivation of PP2A.

[0015] Figure 7. Deletion of the HEAT repeats 2-10 in the scaffold subunit has no impact on the methylesterase activity of PME-I . In this assay, the PP2A core enzyme (AC heterodimer) was methylated by LCMTl and used as a substrate for the methylesterase activity of PME- 1. The esterase activity of PME- 1 on the AC dimer involving the truncated A subunit (AδN) was nearly identical to that on the AC dimer involving the full-length A subunit. This result suggests that deletion of HEAT repeats 2-10 in the A subunit has no detectable impact on the interaction between PME-I and the PP2A core enzyme.

[0016] Figure 8. Mutational analysis of PME-I residues at the interface between PME- 1 and PP2A. The impact of the mutations on the interaction between PME-I and PP2A was

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evaluated by the methylesterase activity of the corresponding PME-I mutants using methylated PP2A as a substrate. Since these mutations did not involve the residues at the active site of PME- 1, a decrease in the methylesterase activity likely reflects a weakened binding affinity between PP2A and the specific PME-I mutant. The side chain of Arg369 participates in multiple inter- molecular hydrogen bonds with PP2A. Its mutation to Asp is expected to reduce the binding affinity between PME-I and PP2A. In contrast, the side chains of Gln334 and Gln336 in PME-I are not involved in any interaction with PP2A; their mutations are predicted not to affect the PME-1-PP2A interaction. The experimental observations confirmed these predictions.

[0017] Figure 9. PMSF only inactivated PME-I that was pre-incubated with a PP2A core enzyme involving truncation of the carboxy-terminus of the catalytic subunit. PMSF does not inactivate PME-I alone, because the active site of PME-I is not in a productive conformation. When PME-I is bound to the PP2A core enzyme, the active site of PME-I is rearranged into a productive conformation, which is predicted to make the catalytic serine residue susceptible to PMSF inactivation. To confirm this structure-based prediction, we pre- incubated PME-I with a variant of the PP2A core enzyme involving truncation of the carboxy- terminus of the catalytic subunit and then added freshly prepared PMSF. The catalytic subunit of the PP2A variant was digested by chymotrypsin to remove two amino acids at the carboxy- terminus. This truncated catalytic subunit was used so that PMSF could gain access to the active site of PME-I. The treated PME-I was assayed for its methylesterase activity and compared with the untreated PME-I . This result shows that pre-incubation with the PP2A variant and PMSF led to marked reduction of PME- 1 -mediated methylesterase activity.

[0018] Figure 10. PME-I -mediated metal removal and inactivation of PP2A. The PP2 A-PME-I complex was incubated on ice overnight in the presence of Mn ²⁺ followed by fractionation using size exclusion chromatography in the absence of metal ions. (A) The levels of Mn ²⁺ bound to PP2A or PP2 A-PME-I complex were quantified by ICP-MS and normalized to the metal level in PP2A alone. (B) The phosphatase activity of PP2A or the PP2A-PME-1 complex was measured using ³² P-labeled phosphorylase a in the presence or absence of manganese chloride (50 μM).

[0019] Figure 1 1. PME- 1 -mediated inactivation of PP2A. (A) Phosphatase activity of PP2A in the presence of various concentrations of PME-I . The phosphatase activity was measured upon initial incubation of PP2A and PME-I . Phosphorylase a was used as a substrate.

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(B) Phosphatase activity of PP2A and the PP2A-PME-1 complex after incubation at 37°C for the indicated duration. For comparison, EDTA treatment of PP2A also markedly reduced the phosphatase activity of PP2A, presumably due to chelation of the catalytic metal ions.

[0020] I. Detailed Description:

[0021] It must be noted that, as used herein and in the appended claims, the singular forms "a," "an, ^" ' and "the" include plural reference unless the context clearly dictates otherwise. Unless defined otherwise, all technical and scientific terms used herein, have the same meanings as commonly understood by one of ordinary skill in the art. Although any methods similar or equivalent to those described herein can be used in the practice or testing of embodiments of the present invention, the preferred methods are now described. All publications and references mentioned herein are incorporated by reference. Nothing herein is to be construed as an admission that the invention is not entitled to antedate such disclosure by virtue of prior invention.

[0022] As used herein, the term "about" means plus or minus 10% of the numerical value of the number with which it is being used. Therefore, about 50% means in the range of 45%-55%.

[0023] The terms "mimetic," "peptide mimetic," and "peptidomimetic" are used interchangeably herein, and generally refer to a peptide, partial peptide or non-peptide molecule that mimics the tertiary binding structure or activity of a selected native peptide or protein functional domain (e.g., binding motif or active site). These peptide mimetics include recombinantly or chemically produced peptides, recombinantly or chemically modified peptides, as well as non-peptide agents, such as small molecule drug mimetics as further described below. Mimetic compounds can have additional characteristics that enhance their therapeutic application, such as increased cell permeability, greater affinity and/or avidity, and prolonged biological half-life.

[0024] As used herein, the terms "pharmaceutically acceptable," "physiologically tolerable," and grammatical variations thereof, as they refer to compositions, carriers, diluents, and reagents, are used interchangeably and represent that the materials are capable of administration upon a mammal without the production of undesirable physiological effects such as nausea, dizziness, rash, or gastric upset.

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[0025] "Providing," when used in conjunction with a therapeutic, means to administer a therapeutic directly into or onto a target tissue, or to administer a therapeutic to a patient whereby the therapeutic positively impacts the tissue to which it is targeted.

[0026] As used herein, "subject," "patient" or "individual" refers to an animal or mammal including, but not limited to, a human, dog, cat, horse, cow, pig, sheep, goat, chicken, monkey, rabbit, rat, or mouse, etc.

[0027] As used herein, "coordinates" or "atomic coordinates" refers to the coordinates of a molecular structure, such as a protein structure. The protein structure can be, for example, a complex. In some embodiments, the coordinates referred to herein can be, for example, the coordinates discloses in Appendix A and/or Appendix B.

[0028] As used herein, the term "therapeutic" means an agent utilized to treat, combat, ameliorate, prevent or improve an unwanted condition or disease of a patient. Embodiments of the present invention are directed to promote apoptosis and thus, cell death.

[0029] The terms "therapeutically effective amount" or "effective amount," as used herein, may be used interchangeably and refer to an amount of a therapeutic compound component of the present invention. For example, a therapeutically effective amount of a therapeutic compound is a predetermined amount calculated to achieve the desired effect, i.e., to effectively modulate the activity of PME-I and/or protein phosphatase 2 A (PP2A).

[0030] "Inhibitor" means a compound which reduces or prevents a particular interaction or reaction. For example, an inhibitor may bind to PP2A C-subunit inactivating the C-subunit and inhibiting the phosphotyrosyl activity of PP2A. An inhibitor may also inhibit the interaction between PME-I and PP2A. An inhibitor may also inhibit the enzymatic activity of PME-I .

[0031] "Pharmaceutically acceptable salts" include both acid and base addition salts. "Pharmaceutically acceptable acid addition salt" refers to those salts which retain the biological effectiveness and properties of the free bases and which are not biologically or otherwise undesirable and formed with inorganic acids, such as hydrochloric acid, hydrobromic acid, sulfuric acid, nitric acid, carbonic acid, phosphoric acid, and the like. Organic acids may be selected from aliphatic, cycloaliphatic, aromatic, araliphatic, heterocyclic, carboxylic, and sulfonic classes of organic acids, such as formic acid, acetic acid, propionic acid, glycolic acid, gluconic acid, lactic acid, pyruvic acid, oxalic acid, malic acid, maleic acid, maloneic acid, succinic acid, fumaric acid, tartaric acid, citric acid, aspartic acid, ascorbic acid, glutamic acid,

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anthranilic acid, benzoic acid, cinnamic acid, mandelic acid, embonic acid, phenylacetic acid, methanesulfonic acid, ethanesulfonic acid, p-toluenesulfonic acid, salicyclic acid, and the like.

[0032J Protein phosphatase 2A (PP2A) is a major serine/threonine phosphatase with complex compositions, and is involved in many essential aspects of cellular function. Deregulation of PP2A has been linked to many debilitating diseases such as cancer and Alzheimer's disease. The heterodimeric PP2A core enzyme consists of a 36-kD catalytic subunit, or C subunit, and a 65-kD scaffold subunit, or A subunit. To gain full activity toward specific substrates, the PP2A core enzyme associates with a variable regulatory subunit to form a heterotrimeric holoenzyme. The regulatory subunits are divided into four structurally distinct families, B (B55 or PR55), B' (B56 or PR61), B" (PR72), and B'" (PR93/PR110).

[0033] Reversible methylation of the PP2A core enzyme is a conserved and essential regulatory mechanism. Methylation of the carboxy-terminal Leu309 in a conserved TPDYFL309 motif of the C subunit has been shown to enhance the affinity of the PP2A core enzyme for some, but not all, regulatory subunits. Intriguingly, changes in this peptide motif also affected interaction of the C subunit with the α4 protein, presumably through alteration of methylation, and led to a complex with distinct substrate specificity that is essential for cell survival. Thus changes in PP2A methylation appear to regulate formation of PP2A complexes and consequently shift the specificity of PP2A phosphatase activity in cells. Supporting this notion, blockade of PP2A methylation in yeast caused a set of phenotypes that are consistent with decreased formation of PP2A holoenzymes.

[0034] Reversible methylation of PP2A is catalyzed by two highly conserved enzymes, a 38-kD PP2A-specific leucine carboxyl methyltransferase (LCMTl) and a 42-kD PP2A-specific methylesterase (PME-I). PME-I catalyzes removal of the methyl group, thus reversing the activity of LCMTl . Over-expression of PP2A methylesterase caused phenotypes similar to those associated with loss of the methyltransferase gene. It had also been demonstrated that methylation levels of PP2A changed during cell cycle, suggesting a critical role of methylation in cell cycle regulation.

[0035] Recent evidence hints at a broader role for PME-I than just hydrolysis of a methylester bond. PME-I was found to be associated with two inactive mutants of PP2A. A portion of cellular PP2A, which remained stably bound to PME-I, was found to be inactive; interestingly, this inactive portion of PP2A could be re-activated by PP2A phosphatase activator

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(PTPA), but not by LCMTl, ruling out the possibility that inactivation was solely caused by demethylation. These observations suggest that PME-I might somehow sequester an inactive portion of PP2A. Surprisingly, however, the phosphatase activity of the re-activated PP2A was no longer subject to inhibition by PME-I . At present, the underlying molecular mechanisms of the interplay between PME-I and PP2A remain largely unknown and there is a long-felt need for a better understanding regarding this interplay and the identification of modulators of this interaction and the enzymatic activity of PME-I and/or PP2A.

[0036] Embodiments of the present invention fulfills these needs and others by better understanding the regulation of PP2A through the elucidation of the crystal structures of PME-I by itself and in complex with the PP2A core enzyme. It has now been demonstrated that binding of PME-I to PP2A results in two opposing consequences: activation of PME-I through structural rearrangement and inactivation of PP2A through removal of catalytic metal atoms. The dual role of PME-I likely couples methylation of PP2A with its activation and holoenzyme assembly.

[0037] In some embodiments, the polypeptide sequence of PME-I is SEQ ID NO: 1. The sequence for PME-I can also be found at Genbank accession number AAD44976 In some embodiments, the polypeptide sequence of the catalytic subunit of PP2A is SEQ ID NO. 2. The sequence for the catalytic subunit can also be found at Genbank accession number NP 002706. In some embodiments, the polypeptide sequence of the A-subunit of PP2A is A-alpha. In some embodiments, the polypeptide sequence of the A-subunit is SEQ ID NO: 3. The sequence for the A-subunit can also be found at Genbank Accession number NP 055040. The sequence of the B- subunit of PP2A can be SEQ ID NO: 4. The sequence of the B-subunit can also be found at GenBank accession number AAC37603. The B-subunit can also be referred to as B56-gammal . [0038] In some embodiments, the present invention is directed to the atomic coordinates defining PMEl alone and in complex with PP2A. Embodiments of the present invention are also directed to methods for using the atomic coordinates of PME-I alone or in complex with PP2A, mimetics and small molecules prepared using such methods, and pharmaceutical compositions made from mimetics and small molecules so prepared.

[0039] As used throughout, the phrase "PME-I alone or in complex with PP2A" refers to either PME-I protein that is free of PP2A subunit or a PME-I protein molecule that is associated with complex with at least one PP2A subunit. PME-I that is associated with a PP2A

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subunit can be associated with the A-subunit of PP2A, B-subunit of PP2A, C-subunit of PP2A, or any combination thereof.

[0040] In some embodiments, the present invention is directed to a composition comprising a crystal of PME-I . In some embodiments, the crystal comprises the PME-I core. As used herein, ^V 'PME-1 core" refers to the structural core of PME-I . The structure core of PME-I may be generated by incubation of full-length PME-I with a protease, such as, for example, trypsin. The protein can be treated with an effective amount of trypsin (e.g. 0.5 mg/ml) for 20 minutes on ice. After treating with a protease the structural core can be identified.

[0041] In certain embodiments, the structural or enzymatic core of PME-I comprises residues 39-248 of SEQ ID NO: 1.

[0042] In further embodiments, the enzymatic or structural core comprises residues 273-386 of SEQ ID NO: 1. IN some embodiments the structural or enzymatic core of PME-I comprises an N-terminal 38 residue truncation and/or an internal deletion of residues 239-283. . [0043] In further embodiments, the structural core comprises residues 39-248 and 273- 386 of SEQ ID NO: 1. In further embodiments, residues 39-248 and 273-386 may be linked in a single polypeptide chain. In some embodiments, the linker is a peptide that is 1, 2, 3, 4, 5, amino acid residues. In some embodiments the linker is less than 5 residues, for example, 4 residues, 3 residues, 2 residues or 1 residue. The linker can be, for example, a polypeptide comprising 3 residues wherein the polypeptide has a sequence of EGK.

[0044] In various embodiments, the claimed invention relates to methods of preparing crystalline forms of PME-I alone or in complex with PP2A by providing an aqueous solution comprising PME-I alone or in complex with PP2A. A reservoir solution comprising a precipitant may be mixed with a volume of the PME-I alone or in complex with PP2A solution and the resultant mixed volume is crystallized. In some embodiments, the crystals may be dissolved and recrystallized. The crystals can be dissolved with the precipitant in a small amount to minimize dilution effects of the other reagents and left to regrow for a period of time.

[0045] The proteins can be prepared by any method to isolate purified proteins, such as isolation from E. CoIi that overexpress the proteins of interest. The proteins can then be purified to, for example, homogeneity, by gel filtration chromatography.

[0046] In various embodiments of the method of preparing crystalline forms of PME-I alone or in complexes with PPSA, the concentration of the proteins the aqueous solution may

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vary, but can be, for example, about 1 to about 50 mg/ml, about 5 to about 15 mg/ml, or about 6 mg/ml. In some embodiments, the concentration of the proteins is about 6 mg/ml or about 15 mg/ml. Similarly, precipitants used in the invention may vary, and may be selected from any precipitant known in the art. Any concentration of precipitant may be used in the reservoir solution. For example, the concentration can be about 20 to 30%. In some embodiments, the concentration is about 24-26% Jeffamine-2001 (v/v) or about 23-25% PEG335O (v/v). The solutions can also comprise ammonium citrate, for example, in concentrations of about 100 mM. [0047] One skilled in the art will understand that each of these parameters can be varied without undue experimentation and acceptable crystals will still be obtained. In practice, once the appropriate precipitating agents, buffers, or other experimental variables are determined for any given growth method, any of these methods or any other methods can be used to grow the claimed crystals. One skilled in the art can determine the variables depending upon one's particular needs. Various methods of crystallization can be used in the claimed invention, including, for example, vapor diffusion, batch, liquid-bridge, or dialysis crystallization. See, e.g. McPherson et al., Preparation and Analysis of Protein Crystals, Glick, ed. (John Wiley & Co., 1982), pp. 82-159; Jancarik et al., J. Appl. Crystallogr., 24: 409-411 (1991).

[0048] In vapor diffusion crystallization, a small volume (i.e., a few milliliters) of protein solution is mixed with a solution containing a precipitant. This mixed volume is suspended over a well containing a small amount, i.e. about 1 ml, of precipitant. Vapor diffusion from the drop to the well will result in crystal formation in the drop.

[0049] The dialysis method of crystallization utilizes a semipermeable size-exclusion membrane that retains the protein but allows small molecules (i.e. buffers and precipitants) to diffuse in and out. In dialysis, rather than concentrating the protein and the precipitant by evaporation, the precipitant is allowed to slowly diffuse through the membrane and reduce the solubility of the protein while keeping the protein concentration fixed.

[0050] The batch methods generally involve the slow addition of a precipitant to an aqueous solution of protein until the solution just becomes turbid; at this point the container can be sealed and left undisturbed for a period of time until crystallization occurs.

[0051] The crystal structure was determined by combined anomalous scattering from intrinsic sulfur and fortuitous bromide ion as discussed in detail in the Example below. An example of a method to prepare crystals of PME-I include, but is not limited to, hanging-drop

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vapor-diffusion method. In the hanging-drop vapor-diffusion method the protein may be mixed with an about equal volume of reservoir solution. The reservoir solution can, for example, comprise Jeffamine-2001 , sodium chloride, and/or DTT. In some embodiments, the reservoir solution comprises 24-26% Jeffamine 2001 (v/v). In some embodiments, the reservoir solution comprises about 150-250 mM, about 175-225 mM, about 180-220 mM, about 190-210 mM, about 195-205 mM, or about 200 mM sodium chloride. The reservation solution can also comprise about 1-10 mM, about 2-9 mM, about 3-8 mM, about 4-7 mM, about 4-6 mM, about 5- 10 mM, about 4.5 to 5.5 mM, or about 5 mM DTT. The reservoir solution can also comprise PEG3350. In some embodiments, the concentration of PEG3350 is about 23-25% (v/v). In some embodiments the reservoir solution comprises ammonium citrate. In some embodiments, the ammonium citrate is present at a concentration of about 50 to about 150 mM, about 75 to about 125 mM, or about 100 mM. In some embodiments, the ammonium citrate is present in amount of about 100 mM. In some embodiments, the method comprises allowing crystals to grow for about 1 week.

[0052] Once formed the crystals can be equilibrated in a cryoprotectant buffer containing the reservoir buffer. In some embodiments, the equilibration buffer comprises about 34% (v/v) Jeffamine-2001 or about 34% (v/v) PEG3350, about 20% glycerol (v/v), about 50 μl MnCl ₂ or combinations thereof. In some embodiments, the crystals are dehydrated following equilibration. In some embodiments, the crystals are flash frozen after equilibration. The method can also comprise any variation as described in the Examples described herein.

[0053] In some embodiments, the crystal of PME-I has space group P3i21. In some embodiments, the crystal has unit cell dimensions, ±2%, of a=b=82.5 A, c=90.8 A, α=β=90°, γ~120 °. The crystal can also comprise one protein molecule in each asymmetric unit.

[0054] Further embodiments of the present invention provide crystals comprising PME- 1 alone or in complex with PP2A that can diffract for X-ray determination. The crystal can, for example, diffract X-rays for a determination of structure coordinates to a resolution of a value equal to or less than about 5.0, equal to or less than about 4.0, equal to or less than about 3.0, equal to or less than about 2.5 angstroms. The crystals can also, for example, diffract X-rays for a determination of structure coordinates to a resolution of a value equal to about 2.1 or about 2.8 angstroms. The crystals can also, for example, diffract X-rays for a determination of structure coordinates to a resolution of a value equal 2.1 or 2.8 angstroms.

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[0055] Some embodiments of the present invention can also provide, in some embodiments, a crystal that has the structure that is defined by the coordinates disclosed in Appendix A and/or Appendix B.

[0056J In certain embodiments, the crystals comprising a protein, for example, PME-I alone or in complex with PP2A, can comprise a methionine that is replaced with a selenomethionine .

[0057] Embodiments of the present invention provide a composition comprising a crystal of PME-I complexed with PP2A. In some embodiments, the PP2A comprises the A subunit and the C-subunit of PP2A. The formation of a PP2A complex comprising an A subunit and a C subunit can be formed under conditions that are effective to form the complex. The PP2A A subunit can be a mutant A subunit, such as, for example, a deletion mutant. An example of a deletion mutant of PP2A A subunit is AδN. In AδN various HEAT repeats are deleted. In the AδN the protein comprises HEAT repeats 1 and 11-15 and lacks repeats 2-10. The PP2A protein, for example the core enzyme involving the full-length C subunit (e.g. C _α ) and PP2A A subunit (e.g. AδN) can be assembled, for example, as the methods described in Xing et al., 2006, which is hereby incorporated by reference in its entirety.

[0058] In some embodiments, to form the complex of PME-I and PP2A the proteins can be contacted with one another under conditions effective to form a complex. An example of conditions that are effective to form the complex include, but is not limited to, where PP2A is methylated. PP2A can be methylated by any enzyme including, but not limited to, PP2A- specific leucine carboxyl methyltransferase (LCMTl). LCMTl and PP2A can be incubated in the presence of S=adenosyl methionine (SAM) to facilitate methylation. After methylation PP2A can be contacted with an excess amount of PME-I . In some embodiments, the PME-I incubated with the methylated PP2A comprising an inactivating mutation that inactivates PME- Fs catalytic activity. The mutation can be any mutation that inactivates the methylesterase activity of PME-I . An example of a mutation that inactivates the methylesterase activity of PME-I includes, but is not limited to, where Serine 156 of PME-I is mutated. In some embodiments, Serine 156 is mutated to an alanine.

[0059] In some embodiments, present invention also provides, in some embodiments, for a crystal comprising a complex of PP2A and PME-I wherein the crystal has a space group C2. The crystal can, for example, have unit cell dimensions, ±2%, of a= 129.3 A, b=54.8 A,

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c= 125.2 A, α=90°, β=l 11°, γ=90 °. The unit cell can comprise, for example, one complex per asymmetric unit. The present invention can also provide in some embodiments a crystal that comprises a complex of PME-I and PP2A with a structure that is defined by the coordinates of Appendix B.

[0060] In some embodiments of the present invention, the compositions can also comprise a crystal of PME-I alone or in complex with PP2A comprising the properties described in Table 1. In some embodiments, the crystal comprising a complex of PME-I and PP2A comprises a complex wherein PME-I binds (i.e. has contact with) the C-subunit of PP2A.

[0061] In some embodiments of the present invention, the crystals can be used to generate diffraction data to determine the atomic coordinates of PME-I alone or in complex with PP2A. The coordinates can be determined using any known method and the coordinates can be used, for example, to construct an atomic model of PME-I alone or in complex with PP2A. For example, atomic coordinates of PME-I alone or in complex with PP2A may be determined from crystallographic diffraction data collected using a combination of molecular replacement and single-wavelength anomalous dispersion. The diffraction and structural data described herein include atomic models for PME-I alone or in complex with PP2A. The atomic model of the complex of PME-I and PP2A can include, for example, a PP2A complex that comprises an A- subunit and/or a C subunit. The A-subunit can be the AδN subunit and the C subunit can be the C _α subunit.

[0062] Various embodiments of the invention are directed to the atomic coordinates of PME-I alone or in complex with PP2A and the use of these atomic coordinates to design or identify molecules that specifically inhibit or activate PME-I, inhibit or activate PP2A, or inhibit or enhance the binding (e.g. formation of complex) between PME-I and PP2A. For example, in one embodiment, the atomic coordinates of PME- 1 alone or in complex with PP2A may be used to design and/or screen inhibitor molecules that bind to PME-I and/or PP2A and disrupt or inhibit the binding of PME-I to PP2A. In another embodiments, the atomic coordinates of PME- 1 alone or in complex with PP2A may be used to design and/or screen inhibitor molecules that bind to PME-I and/or PP2A C subunit and, for example, inhibit the ability of the C-subunit to bind with PME-I . In further embodiments, the atomic coordinates of PME-I alone or in complex with PP2A may be used to design and/or screen molecules that inhibit the flexibility of PME-I , PP2A subunit A, and/or PP2A subunit C such that PME-I, PP2A subunit A, and or

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PP2A subunit C may not contact each other or a substrate protein cannot be brought into contact with the active site of PME-I and/or the C-subunit of PP2A. In still other embodiments, the atomic coordinates of PME-I alone or in complex with PP2A may be used to design and/or screen activators of PME-I and/or PP2A by, for example, increasing the affinity of the C-subunit for its substrate or increasing the affinity of PME-I for its substrate (e.g. PP2A). The atomic coordinates can be those as shown in Appendix A and/or Appendix B. The coordinates can also be found in PDB No. 3C5V and/or 3C5W, each of which are hereby incorporated by reference in their entirety.

[0063] Further embodiments comprise methods of designing and/or screening of molecules that inhibit PME-I and/or PP2A activity. Such methods may include inhibiting the activity of PME-I and/or PP2A C-subunit and/or inhibiting the ability of the PP2A C-subunit to bind to other components of PP2A core or PP2A holoenzyme. For example, in various embodiments, binding of an inhibitor molecule to PME-I may selectively reduce or eliminate the activity of PME-I by reducing the ability of PME-I to bind to its substrate by, for example, interrupting the binding interface between PME-I and its substrate. For example, the molecule may inhibit the interactions between PME-I and the C-subunit of PP2A. In other embodiments, binding of an inhibitor molecule to PME-I may reduce or eliminate modifications to the C- subunit, such as, for example, methylation by inhibiting binding or activity of activating methyl transferases. In additional embodiments, the atomic coordinates of PME-I alone or in complex with PP2A described herein may be used to design and/or screen molecules that activate PP2A catalytic activity by, for example, modulating the methylation status of PP2A.

[0064] Such molecules as those described herein that for example, inhibit or enhance the binding of PME-I and PP2A may be designed or screened using any method known in the art. For example, in certain embodiments, the atomic coordinates of PME-I alone or in complex with PP2A may be identified, reconstituted and/or isolated in silico (i.e., using a computer processor, software, and a computer/user interface) and used to design or screen molecules that may fit within the interface wherein PME-I binds to PP2A.

[0065] Compounds designed or identified using such methods may substantially mimic the shape, size, and/or charge of a portion of PME- 1 or the interface of the C-subunit to which PME-I binds to. For example, the molecule can mimic the structure formed by the carboxy- terminal six amino acids of the C-subunit. These residues can be, for example T ₃ 04PDYFL3 ₀ 9

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(SEQ ID NO: 5) of the C-subunit of PP2A. As described herein, PME-I binds directly to the active site of the C subunit of PP2A. This interaction is mediated by, for example, helix α9 and/or helix αlO of PME-I . Therefore, a molecule, can be designed to mimic the structure or a portion thereof of helix α9 and/or helix αlO of PME-I to inhibit the interaction of PME-I and PP2A.

[0066] For example, in one embodiment, a portion of the C-subunit encompassing the atomic coordinates of amino acids 59, 202, 212, 213, 214, 241, 243, 242, 260, or combinations thereof of the C subunit of PP2A (SEQ ID NO: 3) may be used to design and/or screen compounds that substantially mimic the structural features of portions of subunit C of PP2A. The coordinates can be, for example, those described in Appendix B. In some embodiments, a portion of PME-I encompassing the atomic coordinates of amino acids 332, 334, 335, 336, 340, 369, and 370 may be used to design and/or screen compounds that substantially mimic the structural features of portions of PME-I and are substantially complementary to the portions that mediate the interaction of PME-I to the C-subunit of PP2A. Such compounds may bind to PME-I and/or the C-subunit of PP2A and, for example, inhibit binding of PME-I to the C- subunit of PP2A or interrupt interactions between the C-subunit and PME-I thereby inhibiting the methylesterase activity of PME-I as it is relates to the methylation status of PP2A. In other embodiments, portions of any of the interfaces described and illustrated in any of the figures or coordinates described herein may be used to design and/or screen compounds that may substantially mimic the shape, size, and/or charge of a portion of PME-I and/or PP2A, including but the portion of PP2A A-subunit and C-subunit, which includes, for example, the interface between PME-I and PP2A C-subunit.

[0067] In some embodiments, a portion of the atomic coordinates defining the C- subunit of PP2A encompassing a binding interface to PME-I and/or A-subunit may be utilized to design and/or screen compounds that may inhibit PP2A activity or inhibit the interaction between PME-I and the C-subunit of PP2A. For example, a portion of the atomic coordinates of the C-subunit encompassing any of the interfaces described and illustrated in the figures and coordinates described herein may be reconstituted and/or isolated in silico and used to identify compounds that substantially mimic a portion of the C-subunit and/or are substantially complementary to a portion of PME-I at the interface between PME-I and the C-subunit. Compounds identified in such embodiments may bind to PME-I and inhibit binding of the C-

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subunit or interrupt interactions at the interface between the PME-I and C-subunits thereby inhibiting PME-I activity as it relates to the methylation status of PP2A.

[0068] Other embodiments of the invention include molecules designed and screened to bind to PME-I and inhibit various aspects of PME-I activity. For example, in one embodiment, an inhibitor may be designed or molecules may be screened and identified that binds to PME-I in a similar manner to the C-subunit. For example, a molecule may be identified that binds to a portion of PME-I encompassing the residues that can bind to the C-subunit. For example, residues 85, 157, 181, 194, 197, 198, 291, 298, 301 , 325, 349 for a pocket that can encompass the side chains of residues 307 and 309 of the C subunit of PP2A. Therefore, a molecule can be identified that mimics these structural features or others described herein as it relates to the interaction between PME-I and PP2A.

[0069] In still other embodiments, an inhibitor may be designed or a molecule may screened and identified that inhibits or reduces the flexibility of the C-subunit thereby, for example, reducing or eliminating the ability of the C-subunit to bind or interact with PME-I, thereby modulating the methylation status of PP2A. Embodiments including the design or screening of inhibitors which reduce flexibility of the C-subunit may include designing or screening any number of compounds which interact with the C-subunit in any number of ways.

[0070] In particular embodiments, the inhibitors may be identified or designed that bind to the groove of PME-I that interacts with the C-subunit. This groove is defined by residues 194, 197, 198, 291, 298 and 301 of PME-I . In some embodiments the groove is defined by the coordinates of those residues as described in Appendix B. Such inhibitors may bind to the groove and inhibit the interaction of PME-I to the C-subunit. For example, such an inhibitor may include a shape that is at least partially complementary to a portion of the concave side of the B-subunit. Such an inhibitor may also include one or more structural features associated with any number of substrate proteins. For example, substrate proteins may be aligned and structural features of portions of the substrate proteins having similarity, may be included as structural features in an inhibitor.

[0071] In any of the embodiments described above, a designed or identified inhibitor molecule may have a three-dimensional structure corresponding to at least a portion of PME- 1 alone or in complex with PP2A. For example, an inhibitor may be identified by applying a three-dimensional modeling algorithm to the at least a portion of the atomic coordinates of PME-

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1 alone or in complex with PP2A encompassing, for example, a region of the C-subunit where the inhibitor binds or a region of one or more subunits involved in an interface with PME- 1 and electronically screening stored spatial coordinates of candidate compounds against the atomic coordinates of PME-I alone or in complex with PP2A or a portion thereof. Candidate compounds that are identified as substantially complementary to the portion of the PME-I molecule alone or in complex with PP2A modeled, or designed to be substantially complementary to the portion of the PME-I molecule alone or in complex with the PP2A molecule modeled. Candidate compounds so identified may be synthesized using known techniques and then tested for the ability to bind to PME-I alone or in complex with PP2A. A compound that is found to effectively bind the PME-I holoenzyme may be identified as an "inhibitor" of PME-I activity if it can then be shown that the binding of the compound affects the methylation status, e.g. increased, of PP2A. Such "inhibitors" may then be used to modulate the activity of PP2A in vitro or in vivo. In still other embodiments, such "inhibitors" of PME-I may be administered to a subject or used as part of a pharmaceutical composition to be administered to individuals in need thereof.

[0072] The terms "complementary" or "substantially complementary" as used herein, refers to a compound having a size, shape, charge or any combination of these characteristics that allow the compound to substantially fill contours created by applying an three-dimensional modeling algorithm to a portion of PME-I alone or in complex with PP2A. A compound that substantially fills without overlapping portions of the various elements that make up PME-I alone or in complex with PP2A, even if various portions of the space remain unfilled, may be considered "substantially complementary".

[0073] The terms "similar" or "substantially similar" may be used to describe a compound having a size, shape, charge or any combination of these characteristics similar to a compound known to bind PME-I alone or in complex with PP2A. For example, an identified compound having a similar size, shape, and/or charge to a portion of the C-subunit may be considered "substantially similar" to the C-subunit.

[0074] Any inhibitor identified using the techniques described herein, may bind to PME-I alone or in complex with PP2A with at least about the same affinity of the protein which binds at a selected interface or a known inhibitor to a known binding site, and in certain embodiments, the inhibitor may have an affinity for PME-I and/or PP2A that is greater than the

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affinity of the natural or known substrate for PME-I and/or PP2A. Thus, such inhibitors may bind to PME-I and/or PP2A and inhibit the activity of PME-I and/or PP2A, thereby providing methods and compounds for modulating the activity of PME-I and/or PP2A. Without wishing to be bound by theory, modulation of PP2A may reduce or PP2A mediated serine/threonine dephosphorylation, and modulating the activity of PP2A may provide the basis for treatment of various cell cycle modulation or proliferative disorders including, for example, cancer and autoimmune disease.

[0075] Determination of the atomic coordinates of any portion of PME-I alone or in complex with PP2A may be carried out by any method known in the art. For example, the atomic coordinates provided in embodiments of the invention, or the atomic coordinates provided by other PP2A crystallographic or NMR structures including, but not limited to, crystallographic or NMR data for PME-I, PP2A core, PP2A holoenzyme or individual A, B or C components of PP2A, may be provided to a molecular modeling program and the various portions of PP2A holoenzyme described above may be visualized. In other embodiments, two or more sets of atomic coordinates corresponding to various portions of PME-I alone or in complex with PP2A may be compared and composite coordinates representing the average of these coordinates may be used to model the structural features of the portion of PME-I alone or in complex with PP2A under study. The atomic coordinates used in such embodiments may be derived from purified PME-I, PP2A holoenzyme, individual A, B or C subunits, or PP2A bound to other regulatory proteins, substrate proteins, accessory proteins, protein fragments or peptides. In general, atomic coordinates defining a three-dimensional structure of a crystal of PME-I alone or in complex with PP2A holoenzyme that diffracts X-rays for the determination of atomic coordinates to a resolution of 5 Angstroms or better may be used.

[0076] Having defined the structural features of PME-I alone or in complex with PP2A, mimetics or small molecules substantially complementary to various portions of the PME-I alone or in complex with PP2A holoenzyme, such as those described above, may be designed. Various methods for molecular design are known in the art, and any of these may be used in embodiments of the invention. For example, in some embodiments, compounds may be specifically designed to fill contours of a portion of PME-I and/or PP2A at the interfaces between PP2A and PME-I or in portions of PME-I and/or PP2A where other factors or substrate proteins interact. In other embodiments, random compounds may be generated and compared to

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the spatial coordinates such as a portion of PME-I alone or in complex with PP2A. In still other embodiments, stored spatial coordinates of candidate compounds contained within a database may be compared to the spatial coordinates of a portion of PME-I alone or in complex with PP2A. In certain embodiments, molecular design may be carried out in combination with molecular modeling.

[0077] Methods for performing structural comparisons of atomic coordinates of molecules including those derived from protein crystallography are well known in the art, and any such method may be used in various embodiments to test candidate PME-I and/or PP2A binding compounds for the ability to bind a portion of PME-I and/or PP2A. In such embodiments, atomic coordinates of designed, random or stored candidate compounds may be compared against a portion of PME-I alone or in complex with PP2A or the atomic coordinates of a compound bound to PME-I alone or in complex with PP2A. In other such embodiments, a designed, random or stored candidate compound may be brought into contact with a surface of PME-I alone or in complex with PP2A, and simulated hydrogen bonding and/or van der Waals interactions may be used to evaluate or test the ability of the candidate compound to bind the surface of PME-I alone or in complex with PP2A. Structural comparisons, such as those described in the preceding embodiments may be carried out using any method, such as, for example, a distance alignment matrix (DALI), Sequential Structure Alignment Program (SSAP), combinatorial extension (CE) or any such structural comparison algorithm. Compounds that appear to mimic a portion of the PME-I alone or in complex with PP2A under study or a compound known to bind PME-I alone or in complex with PP2A, such as, for example, a substrate protein, or that are substantially complementary and have a likelihood of forming sufficient interactions to bind to PME-I alone or in complex with PP2A may be identified as a potential PP2A holoenzyme binding compound.

[0078] In some embodiments, compounds identified as described above may conform to a set of predetermined variables. For example, in one embodiment, the atomic coordinates of an identified PME-I alone or in complex with PP2A binding compound when compared with a PME-I alone or in complex with PP2A binding compound or a subunit of PME-I alone or in complex with PP2A using one or more of the above structural comparison methods may deviate from an rmsd of less than about 10 angstroms. In another embodiment, the atomic coordinates of the compound may deviate from the atomic coordinates of PME-I alone or in complex with

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PP2A by less than about 2 angstroms. In still another embodiment, the identified PME-I alone or in complex with PP2A binding compound may include one or more specific structural features known to exist in a PME-I alone or in complex with PP2A binding compound or a subunit of PME-I alone or in complex with PP2A, such as, for example, a surface area, shape, charge distribution over the entire compound or a portion of the identified compound.

[0079] Compounds identified by the various methods embodied herein may be synthesized by any method known in the art. For example, identified compounds may be synthesized using manual techniques or by automation using in vitro methods such as, various solid state or liquid state synthesis methods. Direct peptide synthesis using solid-phase techniques is well known and utilized in the art (see, e.g., Stewart et al., Solid-Phase Peptide Synthesis, W. H. Freeman Co., San Francisco, Calif. (1969); Merrifield, J. Am. Chem. Soc, 85:2149-2154 (1963)). Automated synthesis may be accomplished, for example, using an Peptide Synthesizer using manufacturer's instructions. Additionally, in some embodiments, one or more portion of the PME-I and/or PP2A modulators described herein may be synthesized separately and combined using chemical or enzymatic methods to produce a full length modulator.

[0080] Compounds identified using various methods of embodiments of the invention may be further tested for binding to PME-I alone or in complex with PP2A and/or to determine the compound's ability to inhibit activity of PME-I and/or PP2A or modulate the activity of PME- 1 and/or PP2A by, for example, testing for pTyr activity or testing the candidate compound for binding to PME-I and/or PP2A. Such testing may be carried out by any method. For example, such methods may include contacting a known substrate with an identified compound and detecting binding to PME-I and/or PP2A by a change in fluorescence in a marker or by detecting the presence of the bound compound by isolating the PME-I and/or PP2A candidate compound complex and testing for the presence of the compound. In other embodiments, PME- 1 and/or PP2A activity may be tested by, for example, isolating a substrate peptide that has or has not been methylated or phosphorylated or isolating a PME-I and/or PME-I in complex with PP2A that has been contacted with the candidate compound. Such methods are well known in the art and may be carried out in vitro, in a cell-free assay, or in vivo, in a cell-culture assay.

[0081] Embodiments of the invention also include pharmaceutical compositions including inhibitors that bind to PME-I and/or PP2A and inhibit PME-I and/or PP2A activity or

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compounds that are identified using methods of embodiments described herein above and a pharmaceutically acceptable carrier or excipient. Such pharmaceutical compositions may be administered to an individual in an effective amount to alleviate conditions associated with PP2A activity.

[0082] Various embodiments of the invention also include a system for identifying a PME-I and/or PP2A modulator. Such systems may include a processor and a computer readable medium in contact with the processor. The computer readable medium of such embodiments may at least contain the atomic coordinates of PME-I alone or in complex with PP2A. In some embodiments, the computer readable medium may further contain one or more programming instructions for comparing at least a portion of the atomic coordinates of PME-I alone or in complex with PP2A with atomic coordinates of candidate compounds included in a library of compounds. In other embodiments, the computer readable medium may further contain one or more programming instructions for designing a compound that mimics at least a portion of PME- 1 alone or in complex with PP2A or that is substantially complementary to a portion of PME-I alone or in complex with PP2A. In still other embodiments, the computer readable medium may contain one or more programming instructions for identifying candidate compounds or designing a compound that mimics a portion of PME-I alone or in complex with PP2A within one or more user defined parameters. For example, in some embodiments, a compound may include a charged molecule at a particular position corresponding to one or more positions within the atomic coordinates of PME-I alone or in complex with PP2A, and in other embodiments, the compound may deviate from the carbon backbone or surface model representation of PME-I alone or in complex with PP2A by, for example, an rmsd of less than about 10 A. In still other embodiments, a user may determine the size of a candidate compound or the portion of PME-I alone or in complex with PP2A that is utilized in identifying mimetic candidate compounds. Further embodiments may include one or more programming instructions for simulating binding of an identified candidate compound to PME-I alone or in complex with PP2A or a portion of PME-I alone or in complex with PP2A. Such embodiments may be carried out using any method known in the art, and may provide an additional in silico method for testing identified candidate compounds.

[0083] Some embodiments of invention described herein may encompasses pharmaceutical compositions comprising a therapeutically effective amount of an inhibitor in

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dosage form and a pharmaceutically acceptable carrier, wherein the compound inhibits methylesterase activity of PME-I and/or the phosphotyrosyl or phosphoserosyl activity of PP2A. In another embodiment, such compositions comprise a therapeutically effective amount of an inhibitor in dosage form and a pharmaceutically acceptable carrier in combination with a chemotherapeutic and/or radiotherapy, wherein the inhibitor inhibits the methylesterase activity of PME-I and/or the phosphotyrosyl or phosphoserosyl activity of PP2A, promoting apoptosis and enhancing the effectiveness of the chemotherapeutic and/or radiotherapy. In various embodiments of the invention, a therapeutic composition for modulating PME-I and/or PP2A activity comprises a therapeutically effective amount of a PP2A inhibitor.

[0084] Some embodiments of the invention also include methods for treating a patient having a condition characterized by aberrant cell growth, wherein administration of a therapeutically effective amount of a PME-I and/or PP2A inhibitor is administered to the patient, and the inhibitor binds to PME-I and/or PP2A modulates cell growth. The method may further include the concurrent administration of a chemotherapeutic agent, such as, but not limited to, alkylating agents, antimetabolites, anti-tumor antibiotics, taxanes, hormonal agents, monoclonal antibodies, glucocorticoids, mitotic inhibitors, topoisomerase I inhibitors, topoisomerase II inhibitors, immunomodulating agents, cellular growth factors, cytokines, and nonsteroidal antiinflammatory compounds. As used herein, "concurrent administration" may be administration prior to, substantially simultaneous with, simultaneous with or following administration of the PME-I and/or PPSA inhibitor.

[0085] The PME-I and/or PP2A inhibitors of the invention may be administered in an effective amount. In certain embodiments, an "effective amount" is an amount of a preparation that alone, or together with further doses, produces the desired response. This may involve only slowing the progression of the disease temporarily, although it may involve halting the progression of the disease permanently or delaying the onset of or preventing the disease or condition from occurring. This can be monitored by routine methods known and practiced in the art. Generally, doses of active compounds may be from about 0.01 mg/kg per day to about 1000 mg/kg per day, and in some embodiments, the dosage may be from about 50-500 mg/kg. In various embodiments, the compounds of the invention may be administered intravenously, intramuscularly, or intradermally, and in one or several administrations per day. The

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administration of inhibitors can occur simultaneous with, subsequent to, or prior to chemotherapy or radiation.

[0086] In general, routine experimentation in clinical trials will determine specific ranges for optimal therapeutic effect for each therapeutic agent and each administrative protocol and administration to specific patients will be adjusted to within effective and safe ranges depending on the patient's condition and responsiveness to initial administrations. However, the ultimate administration protocol will be regulated according to the judgment of the attending clinician considering such factors as age, condition and size of the patient, the potency of the PME-I and/or PP2A inhibitor administered, the duration of the treatment and the severity of the disease being treated. For example, a dosage regimen of a PME-I and/or PP2A inhibitor to, for example, reduce cellular proliferation or induce apoptosis can be oral administration of from about 1 mg to about 2000 mg/day, preferably about 1 to about 1000 mg/day, more preferably about 50 to about 600 mg/day. In certain embodiments, the dosage may be administered once daily or in divided doses, such as in two, three to four divided doses. Intermittent therapy (e.g., one week out of three weeks or three out of four weeks) may also be used.

[0087] In the event that a response in a subject is insufficient at the initial doses applied, higher doses (or effectively higher doses by a different, more localized delivery route) may be employed to the extent that the patient's tolerance permits. Multiple doses per day are contemplated to achieve appropriate systemic levels of compounds. Generally, a maximum dose is used, that is, the highest safe dose according to sound medical judgment. However, an individual patient may insist upon a lower dose or tolerable dose for medical reasons, psychological reasons or for virtually any other reason.

[0088] Some embodiments of the invention also include a method of treating a patient with cancer or an autoimmune disease by promoting apoptosis, wherein administration of a therapeutically effective amount of one or more PME-I and/or PP2A inhibitors, and the PME-I and/or PP2A inhibitor inhibit the methylesterase activity of PME-I and/or the phosphotyrosyl or phosphoserosyl activity of PP2A. The method may further include concurrent administration of a chemotherapeutic agent including, but not limited to, alkylating agents, antimetabolites, antitumor antibiotics, taxanes, hormonal agents, monoclonal antibodies, glucocorticoids, mitotic inhibitors, topoisomerase I inhibitors, topoisomerase II inhibitors, immunomodulating agents, cellular growth factors, cytokines, and nonsteroidal anti-inflammatory compounds.

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[0089J A variety of administration routes are available. The particular mode selected will depend upon the severity of the condition being treated and the dosage required for therapeutic efficacy. The methods of the invention may be practiced using any mode of administration that is medically acceptable, meaning any mode that produces effective levels of active compounds without causing clinically unacceptable adverse effects. Such modes of administration include, but are not limited to, oral, rectal, topical, nasal, intradermal, inhalation, intra-peritoneal, or parenteral routes. The term "parenteral" includes subcutaneous, intravenous, intramuscular, or infusion. Intravenous or intramuscular routes may be particularly suitable for purposes of the present invention.

[0090] In one aspect of the invention, a PME-I and/or PP2A inhibitor as described herein, with or without additional biological or chemotherapeutic agents or radiotherapy, does not adversely affect normal tissues while sensitizing aberrantly dividing cells to the additional chemotherapeutic/radiation protocols. While not wishing to be bound by theory because the PME-I and/or PP2A inhibitors specifically target PME-I and/or PP2A, marked and adverse side effects may be minimized. In certain embodiments, the composition or method may be designed to allow sensitization of the cell to chemotherapeutic agents or radiation therapy by administering the ATPase inhibitor prior to chemotherapeutic or radiation therapy.

[0091] The term "pharmaceutically-acceptable carrier" as used herein, means one or more compatible solid or liquid fillers, diluents or encapsulating substances which are suitable for administration into a human. The term "carrier" or "excipient" denotes an organic or inorganic ingredient, natural or synthetic, with which the active ingredient is combined to facilitate the application. The components of the pharmaceutical compositions are also capable of being co-mingled with the molecules of the present invention and with each other, in a manner such that there is no interaction which would substantially impair the desired pharmaceutical efficacy.

[0092] The delivery systems that may be used in embodiments of the invention are designed to include time-released, delayed release or sustained release delivery systems such that the delivery of the PP2A inhibitors occurs prior to, and with sufficient time, to cause sensitization of the site to be treated. For example, a PME-I and/or PP2A inhibitor may be used in conjunction with radiation and/or additional anti-cancer chemical agents. Such systems can avoid repeated administrations of the PP2A inhibitor compound, increasing convenience to the

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subject and the physician, and may be particularly suitable for certain compositions of the present invention.

[0093] Many types of release delivery systems are available and known to those of ordinary skill in the art including, but not limited to, polymer base systems, such as, poly(lactide- glycolide), copolyoxalates, polycaprolactones, polyesteramides, polyorthoesters, polyhydroxybutyric acid, and polyanhydrides. Microcapsules of the foregoing polymers containing drugs are described in, for example, U.S. Pat. No. 5,075,109. Delivery systems also include non-polymer systems including, for example: lipids including sterols, such as cholesterol, cholesterol esters and fatty acids or neutral fats, such as mono-, di- and triglycerides; hydrogel release systems; sylastic systems; peptide based systems; wax coatings; compressed tablets using conventional binders and excipients; partially fused implants; and the like. Specific examples include, but are not limited to: erosional systems in which the active compound is contained in a form within a matrix such as those described in U.S. Pat. Nos. 4,452,775, 4,667,014, 4,748,034, and 5,239,660 and diffusional systems in which an active component permeates at a controlled rate from a polymer, such as described in U.S. Pat. Nos. 3,832,253, and 3,854,480. In addition, pump-based hardware delivery systems can be used, some of which are adapted for implantation.

[0094] In certain embodiments, use of a long-term sustained release implant may be desirable. Long-term release is used herein, and means that the implant is constructed and arranged to deliver therapeutic levels of the active ingredient for at least about 30 days, and preferably about 60 days. Long-term sustained release implants are well-known to those of ordinary skill in the art and include some of the release systems described above.

[0095] The pharmaceutical compositions may conveniently be presented in unit dosage form and may be prepared by any of the methods well known in the art of pharmacy. All methods include the step of bringing the active agent into association with a carrier that constitutes one or more accessory ingredients. In general, the compositions may be prepared by uniformly and intimately bringing the active compound into association with a liquid carrier, a finely divided solid carrier, or both and then, if necessary, shaping the product.

[0096] Compositions suitable for parenteral administration conveniently include a sterile aqueous preparation of an ATPase inhibitor which is preferably isotonic with the blood of the recipient. This aqueous preparation may be formulated according to known methods using

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suitable dispersing or wetting agents and suspending agents. The sterile injectable preparation may also be a sterile injectable solution or suspension in a non-toxic parenterally-acceptable diluent or solvent, for example, as a solution in 1,3-butanediol. Among the acceptable vehicles and solvents that may be employed are water, Ringer's solution, and isotonic sodium chloride solution. In addition, sterile fixed oils are conventionally employed as a solvent or suspending medium. For this purpose, any bland fixed oil may be employed including synthetic mono- or di-glycerides. In addition, fatty acids, such as oleic acid, may be used in the preparation of injectables. Carrier formulation suitable for oral, subcutaneous, intravenous, intramuscular, etc. administrations can be found, for example, in Remington's Pharmaceutical Sciences, Mack Publishing Co., Easton, PA which is incorporated herein in its entirety by reference thereto.

EXAMPLES

Example 1 Structure of PME-I

[0097] We first sought to determine the crystal structure of PME-I . The full-length PME-I failed to crystallize, likely due to the flexible amino-terminal sequences and an internal Glu-rich loop. Removal of these flexible moieties by limited proteolysis generated a core enzyme that exhibited a similar activity as the full-length PME-I (data not shown). We obtained crystals of this PME-I core enzyme. The structure was determined by selenomethionine multi- wavelength anomalous dispersion (MAD) and refined to 2.1 A resolution (Figure 1 and Table 1). To our knowledge, PME-I represents the first structure of a eukaryotic protein methylesterase. The overall structure of the PME-I core enzyme belongs to the α/β hydroxylase superfamily. The α/β fold contains a central, 9-stranded β-sheet, surrounded by two α-helices on one side (αl & αlO) and four α-helices on the other (α2, α3, α8, and α9) (Figure 1). The putative catalytic residue Serl56, from the conserved motif GxSxxG, is located at the turn between strand β6 and helix α3. Four additional α-helices form a cap domain above Serl56. The active site pocket is located between the cap domain and the α/β fold (Figure IA).

[0098] In the absence of PP2A, the active site of PME-I appears to exist in an inactive conformation that may not support catalysis, because Serl 56 is not within hydrogen bond distance of any histidine residue. Supporting this structural observation, prior treatment of PME-

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1 with PMSF, a serine protease inhibitor, did not result in any detectable reduction of methylesterase activity towards the PP2A core enzyme. In addition, PME-I does not bind to and, exhibits no detectable methylesterase activity towards, a carboxylmethylated peptide TPDYFL309 (Lee et al., 1996). Collectively, these observations suggest that PME-I must undergo an activation process, which is likely mediated by binding to the PP2A core enzyme. Structure of the PP2A-PME-1 heterotrimeric complex

[0099] Despite extensive effort, a heterotrimeric complex between PME-I and the full- length PP2A core enzyme eluded crystallization. This was likely due to the flexible nature of the A subunit, a HEAT repeat protein that is known for heterogeneous conformations. To alleviate this problem, we progressively deleted the amino-terminal HEAT repeats that are dispensable for binding to the C subunit and PME-I (Ruediger et al., 1994; Ruediger et al., 1992; Xing et al., 2006). One specific variant of the A subunit, containing HEAT repeats 1 and 11-15 (AδN), formed a stable heterotrimeric complex with the C subunit and PME-I. The methylesterase activity of PME-I on the PP2A core enzyme involving the AδN variant was nearly identical to that on the PP2A core enzyme involving the full-length A subunit (Figure 7). This result suggests that deletion of HEAT repeats 2-10 in the A subunit has no detectable impact on the interaction between PME-I and the PP2A core enzyme. The PP2A core enzyme involving AδN was first methylated by LCMTl and then incubated with the catalytic mutant of PME-I (S 156A) to reconstitute a heterotrimeric PP2 A-PME-I complex. The heterotrimeric complex was crystallized and the structure was determined by molecular replacement at 2.8 A resolution (Table 1 and Figure 2).

[00100] The structure of the PP2 A-PME-I complex showed that PME-I binds exclusively to the C subunit of the PP2A core enzyme (Figure 2A). Structural alignment of the PP2A/PME-1 complex with the PP2A core enzyme indicates that PME-I makes no direct interactions with the A subunit (Figure 2B). As previously observed, the C subunit sits on the ridge of HEAT repeats 1 1-15 in the A subunit (Figure 2A). Inclusion of HEAT repeat 1 in the AδN subunit proved to be essential for its solubility and crystallization of the heterotrimeric complex. In the crystals, HEAT repeat 1 stacks against HEAT repeat 1 1 to insulate the hydrophobic surfaces in both repeats. PME-I binds to the structural elements surrounding the active site of the C subunit. This arrangement creates an extended, linear architecture, with a height of approximately 100 A (Figure 2A).

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[00101] The active site pocket of PME-I is located close to the C subunit, with an orientation that is conducive to binding by the carboxyl-methylated peptide from the C subunit. In the structure, the carboxy-terminal 6 amino acids T ₃₀₄ PD YFL ₃₀₉ (SEQ ID NO: 5) of the C subunit are bound in the active site pocket of PME-I (Figure 2C). The flexible sequences spanning Pro293-Thr304 are disordered in the crystals and have no electron density. Pro293 is separated from Thr304 by approximately 30 A (Figure 2A); the 11 peptide bonds absent in the structure between these two residues could reach a distance of as much as 36 A in an extended conformation. Interface between PME-I and the C subunit

[00102] PME-I appears to bind directly to the active site of the C subunit. These two proteins stack closely against each other, creating an S-shaped interface (Figure 3A). This interface is dominated by hydrogen bonds (H-bonds), which are buttressed by additional van der Waals contacts. Together, these interactions result in the burial of approximately 1800 A2 exposed surface area. Residues from helix α9 of PME-I , and to a lesser extent helix αlO, mediate these interactions.

[00103] Examination of the interface revealed three networks of H-bonds (Figure 3B). In the center of the interface, Arg214 of the C subunit donates two inter-molecular H-bonds, to the carbonyl oxygen atoms of residues 334 and 335 in PME-I, and two intramolecular H-bonds, one to Asp202 and the other to carbonyl oxygen of residue 241 in the C subunit. These interactions are strengthened by two additional inter-molecular H-bonds between carbonyl oxygen atoms of residues 335/336 in PME-I and amide nitrogen atoms of residues 243/242 in the C subunit. These H-bonds are stabilized by a patch of van der Waals interactions, between residues Ile332 and Met335 in PME-I and residues His59, Leu243 and Phe260 in the C subunit. Of these residues, His59 was shown to bind to metal ions in the active site of the PP2A core enzyme (Xing et al., 2006).

[00104] In the periphery of the interface, two H-bond networks stabilize both ends of the S-shaped interface. In one network, three H-bonds were formed between Arg268 of the C subunit and several residues at the amino-terminus of helix α9 in PME-I (Figure 3B). In the other network, a water molecule mediates hydrogen bonds among residue 213 in the C subunit and the side chains of Gln340, Arg369 and His370 in PME-I . Arg369 forms an additional hydrogen bond to residue 212 of the C subunit.

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λ lϋ69l2I 6 v l

[00105] To corroborate these structural observations, we performed a mutational analysis on PME-I Figure 8. We generated three missense mutations in PME-I and assayed their impact on the methylesterase activity of PME- 1. Because these mutations do not involve residues at the active site of PME-I, a decrease in the methylesterase activity likely reflects a weakened binding affinity between PP2A and the specific PME-I mutant. In the structure, the side chain of Arg369 participates in multiple inter-molecular hydrogen bonds with PP2A; thus its mutation to Asp is expected to reduce the binding affinity between PME-I and PP2A. Consistent with this prediction, R369D in PME-I resulted in marked reduction of its methylesterase activity Figure 8. In contrast, the side chains of Gln334 and Gln336 in PME-I do not appear to be involved in any interaction with PP2A; their mutations are predicted not to affect the PME-1-PP2A interaction and thus did not appear to have any effect on the methylesterase activity Figure 8. Recognition of substrate by PME-I

[00106] The carboxy-terminal residues of the C-subunit bind to the active site pocket of PME-I (Figure 4A). The interface contains extensive van der Waals contacts, with three inter molecular H-bonds contributing to the specificity of recognition. Collectively, these interactions result in the burial of approximately 1130 A exposed surface area.

[00107] On one side of the active site pocket, the side chains of Tyr307 and Leu309 in the C subunit are nestled in a hydrophobic groove formed by six residues in the cap domain of PME-I : Metl94, Phel97 and Leul98 in helix α4, and Leu291, Trp298 and Trp301 in helix α7 (Figure 4A). On the other side of the pocket, a network of H-bonds stabilizes the conformation of the catalytic triad and helps coordinate the substrate (Figure 4A). These H-bonds involve residues Arg325, Aspl81, His349, backbone amides of residues 85 and 157 of PME-I, and the carboxylate group of Leu309 in the C subunit. In particular, Aspl 81 accepts an H-bond from His349. Alal56, which corresponds to the catalytic residue Serl 56, is located close to the carboxylate group of Leu309 and within close proximity of His349 in PME-I. These observations suggest that, in contrast to free PME-I, the active site residues in the PP2A-bound PME-I may exist in an active conformation, poised to catalyze the bound substrate. Activation of PME-I

[00108] Structural comparison between free PME-I and the PP2A-bound PME-I reveals that the substrate peptide would overlap significantly with helix α4 of the free PME-I (Figure 4B). This analysis could explain why free PME-I does not bind to the isolated

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((10691216 v l

carboxylmethylated peptide TPDYFL309 of the C subunit. This observation, together with the inactive conformation of the catalytic triad residues in free PME- 1 , could also explain why free PME-I exhibits no detectable methylesterase activity for the isolated peptide substrate (Lee et al., 1996).

[00109] The interactions between PME-I and PP2A result in two striking consequences. The first consequence is the activation of PME-I. The specific interactions between PME-I and the C subunit induce marked conformational rearrangements surrounding the active site region of PME-I, resulting in its activation (Figure 4C). In particular, extensive interactions of helix α9 in PME-I with the C subunit cause α9 to shift towards helix α4, which forces α4 to bend (Figure 4B). These structural changes result in the widening of the active site pocket in PME-I that accommodates the substrate peptide.

[00110] These changes also cause the catalytic triad residues to rearrange into an active conformation (Figure 4C). Remarkably, the side chain of His349 swings approximately 8A to hydrogen bond with Aspl 81 and to be within H-bond distance of the catalytic residue 156. The carboxylate group of Leu309 in the substrate peptide is in close proximity of the catalytic residue and in an appropriate orientation for catalysis. Corroborating these structural observations, PME- 1 was only inactivated by PMSF after PME-I was pre-incubated with a PP2A core enzyme involving truncation of the carboxyterminus of the catalytic subunit Figure 9.

[00111] Our structural analysis identifies Serl56, His349, and Aspl81 as the catalytic triad residues. Consistent with this analysis, mutation of Serl56 or His349 to Ala abolished the methylesterase activity, whereas mutation of Aspl81 markedly reduced the esterase activity by 75 percent or more (Figure 4D). In contrast, mutations of other histidine and aspartate residues near the active site have much less impact on the esterase activity of PME-I (Figure 4D). Inactivation of PP2A by PME-I

[00112] The second striking consequence following binding of PME-I to the PP2A core enzyme is the displacement of the metal ions from the active site of the C subunit (Figure 5A). The two manganese atoms in the C subunit of the PP2A core enzyme were dislodged and gone in the PP2 A-PME-I complex. Consequently, the PP2A core enzyme is inactivated by PME-I .

[00113] Met335 in PME-I, a hydrophobic amino acid highly conserved in other PME orthologs (Figure IB), appears to play an important role in displacing the metal atoms. Comparison with the structure of the PP2A core enzyme reveals that the side chain of Met335

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penetrates deeper into the active site of the C subunit than the acidic head group of okadaic acid (Figure 5B). The hydrophobic nature of Met335 may also discourage the re-loading of metal ions into the active site. Consistent with this interpretation, mutation of Met335 to aspartate in PME-I led to decreased ability to remove the metal ions, and the PP2A-PME-1-M335D complex became readily activated by manganese (Figure 10). Supporting our structural observation, an inactive population of PP2A was previously shown to be stably associated with PME-I in cells that could not be activated by manganese (Longin et al., 2004). Discussion

[00114] Despite intense study of PME-I in the last decade, the mechanisms of substrate binding, catalysis, and function remained enigmatic. Our structural analysis of PME-I by itself and in complex with PP2A showed that PME-I appears to only be activated upon binding to PP2A. This property ensures the specificity of the PME-I -associated methylesterase activity for PP2A. Activation of PME-I entails two major conformational rearrangements: opening of the active site pocket through bending of helix α4 and alignment of the catalytic triad residues into an active conformation. These observations provide a satisfactory explanation to the questions of why a synthetic peptide alone could not be the substrate or inhibitor of PME-I and why the esterase activity could not be inhibited by PMSF treatment. The structural observation that PME- 1 binds directly to the PP2A active site, overlapping the binding sites for phosphatase inhibitors okadaic acid and microcystin LR, explains why these inhibitors blocked the methylesterase activity of PME-I .

[00115] Our structural observation clearly indicates that PME-I has the ability to inactivate the phosphatase activity of PP2A. However, previous studies showed that serine/threonine phosphatase activity of PP2A could not be blocked by PME-I . While not wishing to be bound by theory, we believe that these seemingly conflicting observations reflect the kinetic nature of the metal ion removal. Although binding of PME-I to the PP2A core enzyme occurs instantaneously, removal of the metal atoms takes time. The PP2A core enzyme, upon initial incubation with various concentrations of PME-I, exhibited full phosphatase activity towards the substrate phosphorylase a (Figure HA). A prolonged incubation time was required for substantial loss of the phosphatase activity in vitro (Figure 1 IB). It should be noted, however, that these experiments were performed in the presence of 100 μM manganese ion and the free metal ions may slow down the process of PME-I- mediated metal removal from the catalytic

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subunit of PP2A. In cells, the dislodged metal ions are presumably swept up by metal-binding proteins and no longer available for reloading into PP2A. This analysis suggests that the slow kinetics might be accelerated in cells. Consistent with this analysis, incubation of PP2A with EDTA resulted in marked reduction of phosphatase activity, presumably due to metal chelation (Figure 11B).

[00116] It is important to note that, because PME-I does not bind to the A subunit, PME-I binding to the PP2A core enzyme is unlikely to affect the interactions between the regulatory subunits and the PP2A core enzyme. In other words, PME-I is unlikely to dissociate pre-assembled holoenzymes. Nonetheless, PME-I might still be able to exert negative regulation on the pre-assembled holoenzyme through removal of its catalytic metal ions (Figure 6).

[00117] Earlier experimental evidence showed that methylation of the carboxy-terminus of the C subunit may play an important role in the formation of PP2A holoenzymes. Recent observations suggest that methylation of the carboxy-terminal Leu309 in a conserved TPDYFL309 motif of the C subunit may enhance the affinity of the PP2A core enzyme for some, but not all, regulatory subunits. It should be noted, however, enhanced affinity only represents one strategy by which methylation may facilitate assembly of the PP2A holoenzymes. Alternatively, methylation could serve as a targeting signal to bring together all components that are required for holoenzyme assembly. Investigation of this hypothesis requires a separate mechanistic study.

[00118] The interaction between PME-I and PP2A is subject to regulation by an array of other PP2A-binding Xing et al - 15 - factors, including but not limiting to LCMTl and PTPA. The opposing roles of PME-I and PTPA might form a regulatory circuit of PP2A inactivation and activation, presumably through metal removal and reloading. Furthermore, the stable complex between PP2A and PME-I blocks LCMTl -catalyzed methylation (data not shown). Deletion of PTPA homologs in yeast, rrdl/rrd2, resulted in elevated levels of stable PP2 A-PME- 1 complexes, accompanied by decreased methylation. In this regard, our structure of the PP2A- PME-I complex might represent an important intermediate of PP2A biogenesis that could only be methylated after activation in cells. The dual roles of PME-I in counteracting the function of PTPA and LCTMl provide a mechanism for coupling PP2A activation with methylation. Our structural observations provide mechanistic insights into the interplay among PP2A methylation, holoenzyme assembly, and its activation.

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Example 2: Experimental Procedures

[00119] Protein preparation and assembly of PP2A-PME-1 complex All constructs and point mutations were generated using a standard PCR-based cloning strategy. Full-length PMEl (1-386) and all the mutants were cloned in pET15b vector (Invitrogen) and were overexpressed at room temperature in E. coli strain BL21(DE3). The soluble fraction of the E. coli cell lysate was purified by the Ni-NTA resin (Qiagen) to homogeneity and further fractionated by ion exchange chromatography (Source 15Q, Amersham). PME-I with methionine residues replaced by selenium methionine was expressed by growing the bacteria in a minimum medium containing selenium methionine and purified in a similar way.

[00120] To facilitate crystallization of the PP2A-PME-1 complex, a PME-I construct, containing residues 39-238, a small linker 'EGK' and residues 284-376, was made based on the crystal structure of PME-I, which reserves all the structural moieties for the esterase activity and PP2A recognition. Cloning, expression, purification of PP2A Aa subunit (AδN), Ca subunit followed similar procedures as described previously. The PP2A core enzyme, involving the full- length Ca and AδN, was assembled as described. The PP2A core enzyme was methylated by a PP2A-specific leucine carboxyl methyltransferase (LCMTl) in the presence of S-adenosyl methionine (SAM) (see below). Following complete methylation, the PP2A core enzyme was incubated with an excess amount of PME-I containing an inactive mutation (S 156A). The PP2A- PME-I complex was purified to homogeneity by gel-filtration chromatography. Limited proteolysis of PME-I and characterization of the PME-I enzyme core

[00121] To facilitate crystallization of PME-I, a structural core of PME-I was generated by incubation of the full length PME-I with 0.5 mg/ml trypsin for 20 minutes on ice. The enzyme core that contains two fragments of PME-I , 28 and 8 kDa (residues 39-248 and 273-386, respectively) was purified by the anion exchange chromatography (Source 15Q, Amersham). Using the methylesterase activity assay (see below), this PME-I enzyme core exhibited a similar activity as that of the full-length PME-I (data not shown). Crystallization and Data Collection

[00122] The diffracting crystals of PME-I enzyme core were grown at 4 ⁰ C by the hanging-drop vapor-diffusion method by mixing the enzyme (15 mg/ml) with an equal volume of reservoir solution containing 24-26% Jeffamine-2001 (v/v), 200 mM sodium chloride, and 5 mM DTT. The crystals appeared after 1-2 days and reached a maximum size within one week.

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The crystals are in the space group P3121, with unit cell parameters a = b = 82.5 A, c = 90.8 A, α=β=90°, γ=120°, and contain one protein molecule in each asymmetric unit. The crystals were equilibrated in a cryoprotectant buffer containing the reservoir buffer with 34% (v/v) Jeffamine- 2001 and were flash frozen in a cold nitrogen stream at -170 ⁰ C. A complete 2.0 A native data set and a complete 2.6 A selenomethionine MAD dataset were collected at NSLS beamline X25 and processed using the software Denzo and Scalepack (Otwinowski, 1997).

[00123J Diffracting crystals of the PP2A-PME-1 complex were grown at room temperature by the hanging-drop vapor-diffusion method by mixing the protein (6 mg/ml) with an equal volume of reservoir solution containing 23-25% PEG3350 (v/v), 100 mM ammonium citrate, and 5 mM DTT. The initial crystals appeared after 5 days, which was used for microseeding thereafter to facilitate nucleation; and the crystals were grown to a maximum size in 2-5 days. The crystals belong to the space group C2, with a = 129.3 A, b = 54.8 A, c = 125.2 A, α=90°, β=l l l°, γ=90°, and contain one complex per asymmetric unit. Crystals were equilibrated in a cryoprotectant buffer containing reservoir buffer with 34% PEG335O (v/v), 20% glycerol (v/v) and 50 μM MnC12, followed by dehydration for 2 hrs and flash frozen as described above. The native datasets were collected at NSLS beamline X29 and processed as described earlier. Structure determination

[00124] The structure of human PME-I was determined by selenium MAD (Hendrickson et al., 1988). Selenium atom locations and initial MAD phases were determined using the SHELX program suite (Sheldrick, 1991), and phases were subsequently improved with the program SHARP to a maximum resolution of 2.6 A. The experimental map was of sufficient quality that it was possible to automatically build most of the structure using the program ARP/wARP (Perrakis, 1999) using the MAD phases with the incorporation of the native data to 2.0 A resolution. The refinement was subsequently completed using several rounds of manual model building using the program O (Jones et al., 1991) and the refinement using program CNS (Brunger et al., 1998). The structure is refined to 2.1 A resolution and free and working R factors are 21.9% and 18.2%, respectively.

[00125] The structure of human PP2A-PME-1 complex was determined by molecular replacement using three models: Ca (residues 6-293), Aa with heat repeats 1 1-15 (residues 400- 589) from the structure of the PP2A core enzyme (accession code 2IE3) (Xing et al., 2006), and

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the structure of PME-I. The three proteins in the complex were located using the program PHASER (McCoy et al., 2005). Model building was performed using O (Jones et al., 1991) and refined using REFMAC restraints with TLS (Winn et al., 2003), and weights adjusted on the basis of R-free. Three TLS groups were used; one for each subunit; and the TLS parameters was refined in early cycles, and remained the same for later stage of refinements. The final atomic model of the PP2A-PME-1 complex has been refined to 2.8 A resolution and free and working R factors are 26.4% and 19.5%, respectively. PME-I methylesterase activity assay

[00126] The methylesterase activity of PME-I and its mutants was tested by a cycled methylation and demethylation assay. Briefly, radio-labeled 3H-SAM is mixed with 7.2 μM PP2A core enzyme and 0.2 μM LCMTl to generate methylated PP2A. Release of H3 -methanol was initiated by addition of the full-length PME-I, mutants or the PME-I core. Concentration dependent PME enzyme activity was determined by the counts of H3- methanol after 2.5 hours or overnight incubation of the reaction mixture at 37 ⁰ C. Methylation of PP2A core enzyme by LCMTl

[00127] LCMTl and PP2A core enzyme, at a 1 :2 molar ratio, was incubated on ice. Methylation was initiated by addition of SAM (S-adenosyl methionine) to a final concentration of 0.75 mM. The reaction was carried out at 3O ⁰ C and reached maximum after 1-2 hours. The methylated PP2A core enzyme was purified away from LCMTl by anion exchange chromatography. PP2A phosphatase assay

[00128] The PP2A phosphatase assays were performed as described previously (Chao et al., 2006).

Example 3: Crystallographic data and refinement for PME-I and PME-1/PP2A Crystal Structures.

[00129] The following data was collected and characterized from the crystal of PME-I and PME-1/PP2A. The atomic coordinates of PME by itself and in complex with PP2A have also been deposited in the Protein Data Bank with the accession codes 3C5V and 3C5W, respectively, each of which is hereby incorporated in its entirety. The data is reproduced in Appendix A and B respectively. Statistics regarding the crystals are presented in Table 1.

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Table 1 : Crystallographic data and refinement.

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[00130] 'Rsym = ∑h∑i | Ih, i - Ih \ I ∑h∑i Ih,i , where Ih is the mean intensity of the i observations of symmetry related reflections of h. R = σ | Fobs - Fcalc \ I σFobs, where Fobs = FP, and Fcalc is the calculated protein structure factor from the atomic model (Rfree was calculated with 5% of the observed reflections). ³ RMSD (root-mean-square deviation) in bond lengths and angles are the deviations from ideal values. ⁴ RMSD variation in B-factors across bonded atoms, with the value for PP2 A-PMEl being the residual after TLS refinement.

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APPENDIX A COORDINATES OF PP2A- SPECIFIC METHYLESTERASE APO FORM

HEADER HYDROLASE 01 -FEB- 08 3C5V

TITLE PP2A-SPECIFIC METHYLESTERASE APO FORM (PME)

COMPND MOL _^ ID : 1 ;

COMPND 2 MOLECULE: PROTEIN PHOSPHATASE METHYLESTERASE 1 ;

COMPND 3 CHAIN: A;

COMPND 4 SYNONYM: PME-I;

COMPND 5 ENGINEERED: YES

SOURCE MOL _^ ID: 1;

SOURCE 2 ORGANISM _^ SCIENTIFIC: HOMO SAPIENS;

SOURCE 3 ORGANISM_COMMON: HUMAN;

SOURCE 4 GENUS : HOMO ;

SOURCE 5 GENE: PPMEl, PMEl;

SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;

SOURCE 7 EXPRESSION_SYSTEM_GENUS: ESCHERICHIA

KEYWDS DEMETHYLASE, PP2A, ALTERNATIVE SPLICING, HYDROLASE,

KEYWDS 2 PHOSPHOPROTEIN, SERINE ESTERASE

EXPDTA X-RAY DIFFRACTION

AUTHOR Y . XING , Z . LI , Y . CHEN, J . STOCK, P . D . JEFFREY, Y . SHI

REVDAT 2 10-JUN-08 3C5V 1 JRNL

REVDAT 1 15-APR-08 3C5V O

JRNL AUTH Y.XING, Z.LI, Y.CHEN, J. B. STOCK, P . D. JEFFREY, Y. SHI

JRNL TITL STRUCTURAL MECHANISM OF DEMETHYLATION AND

JRNL TITL 2 INACTIVATION OF PROTEIN PHOSPHATASE 2A.

JRNL REF CELL (CAMBRIDGE, MASS. ) V. 133 154 2008

JRNL REFN ASTM CELLB5 US ISSN 0092-8674

REMARK 1

REMARK 2

REMARK 2 RESOLUTION. 2.00 ANGSTROMS.

REMARK 3

REMARK 3 REFINEMENT.

REMARK 3 PROGRAM CNS 1.2

REMARK 3 AUTHORS BRUNGER , ADAMS , CLORE , DELANO , GROS , GROSSE -

REMARK 3 KUNSTLEVE , JIANG, KUSZEWSKI , NILGES , PANNU,

REMARK 3 READ, RICE, SIMONSON, WARREN

REMARK 3

REMARK 3 REFINEMENT TARGET ENGH Sc HUBER

REMARK 3

REMARK 3 DATA USED IN REFINEMENT.

REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) 2.00

REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) 19.90

REMARK 3 DATA CUTOFF (SIGMA(F)) 0.000

REMARK 3 DATA CUTOFF HIGH (ABS(F)) 1749029.610

REMARK 3 DATA CUTOFF LOW (ABS(F)) 0.0000

REMARK 3 COMPLETENESS (WORKING+TEST) (%) 99.7

REMARK 3 NUMBER OF REFLECTIONS 24574

REMARK 3

REMARK 3 FIT TO DATA USED IN REFINEMENT.

REMARK 3 CROSS-VALIDATION METHOD THROUGHOUT

REMARK 3 FREE R VALUE TEST SET SELECTION RANDOM

REMARK 3 R VALUE (WORKING SET) 0.183

REMARK 3 FREE R VALUE : 0.220

REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800

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(#10691216 vl

REMARK 3 FREE R VALUE TEST SET COUNT : :L191

REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006

REMARK 3

REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.

REMARK 3 TOTAL NUMBER OF BINS USED : 6

REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00

REMARK 3 BIN RESOLUTION RANGE LOW (A) . 2.13

REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) 99.10

REMARK 3 REFLECTIONS IN BIN (WORKING SET) 3821

REMARK 3 BIN R VALUE (WORKING SET) 0.2110

REMARK 3 BIN FREE R VALUE 0.2550

REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) 4.90

REMARK 3 BIN FREE R VALUE TEST SET COUNT 196

REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE 0.018

REMARK 3

REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.

REMARK 3 PROTEIN ATOMS : 2278

REMARK 3 NUCLEIC ACID ATOMS : 0

REMARK 3 HETEROGEN ATOMS : 0

REMARK 3 SOLVENT ATOMS : 283

REMARK 3

REMARK 3 B VALUES.

REMARK 3 FROM WILSON PLOT (A**2) : 16.80

REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.10

REMARK 3 OVERALL ANISOTROPIC B VALUE.

REMARK 3 BIl (A**2) : -1.43000

REMARK 3 B22 (A**2) : -1.43000

REMARK 3 B33 (A**2) : 2.87000

REMARK 3 B12 (A**2) : 0.00000

REMARK 3 B13 (A**2) : 0.00000

REMARK 3 B23 (A**2) : 0.00000

REMARK 3

REMARK 3 ESTIMATED COORDINATE ERROR.

REMARK 3 ESD FROM LUZZATI PLOT (A) : 0 .20

REMARK 3 ESD FROM SIGMAA (A) : 0 .11

REMARK 3 LOW RESOLUTION CUTOFF (A) : 5 .00

REMARK 3

REMARK 3 CROSS -VALIDATED ESTIMATED COORDINATE ERROR .

REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0 .25

REMARK 3 ESD FROM C-V SIGMAA (A) : 0 .17

REMARK 3

REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES .

REMARK 3 BOND LENGTHS (A) : 0 .007

REMARK 3 BOND ANGLES (DEGREES) : 1 .30

REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.70

REMARK 3 IMPROPER ANGLES (DEGREES) : 0 .78

REMARK 3

REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED

REMARK 3

REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS . RMS SIGMA

REMARK 3 MAIN-CHAIN BOND (A**2) 2.160 ; 2.500

REMARK 3 MAIN-CHAIN ANGLE (A**2) 3.010 ; 3.000

REMARK 3 SIDE-CHAIN BOND (A**2) 3.500 ; 3.000

REMARK 3 SIDE-CHAIN ANGLE (A**2) 4.880 ; 3.500

REMARK 3

REMARK 3 BULK SOLVENT MODELING.

REMARK 3 METHOD USED : FLAT MODEL

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« 10691216 vl

REMARK 3 KSOL : 0.40

REMARK 3 BSOL : 60.34

REMARK 3

REMARK 3 NCS MODEL : NULL

REMARK 3

REMARK 3 NCS RESTRAINTS . RMS SIGMA/WEIGHT

REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL

REMARK 3 GROUP 1 B-FACTOR (A **2) : NULL ; NULL

REMARK 3

REMARK 3 PARAMETER FILE 1 : PROTEIN REP .PARAM

REMARK 3 PARAMETER FILE 2 DNA-RNA _^ REP . PARAM

REMARK 3 PARAMETER FILE 3 WATER REP . PARAM

REMARK 3 PARAMETER FILE 4 ION . PARAM

REMARK 3 PARAMETER FILE 5 NULL

REMARK 3 TOPOLOGY FILE 1 PROTEIN. TOP

REMARK 3 TOPOLOGY FILE 2 NULL

REMARK 3 TOPOLOGY FILE 3 NULL

REMARK 3 TOPOLOGY FILE 4 NULL

REMARK 3 TOPOLOGY FILE 5 NULL

REMARK 3

REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED

REMARK 4

REMARK 4 3C5V COMPLIES WITH FORMAT V. 3.1, 01-AUG-2007

REMARK 100

REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.

REMARK 100 THE RCSB ID CODE IS RCSB046379.

REMARK 200

REMARK 200 EXPERIMENTAL DETAILS

REMARK 200 EXPERIMENT TYPE X-RAY DIFFRACTION

REMARK 200 DATE OF DATA COLLECTION lO-MAR-2005; 18-MAR-2005

REMARK 200 TEMPERATURE (KELVIN) 100; 100

REMARK 200 PH 7.50

REMARK 200 NUMBER OF CRYSTALS USED 1

REMARK 200

REMARK 200 SYNCHROTRON (Y/N) Y; Y

REMARK 200 RADIATION SOURCE NSLS; NSLS

REMARK 200 BEAMLINE X25; X25

REMARK 200 X-RAY GENERATOR MODEL NULL

REMARK 200 MONOCHROMATIC OR LAUE (M/L) M; M

REMARK 200 WAVELENGTH OR RANGE (A) 1.10; 0.97945, 0.97910,

REMARK 200 0.96410

REMARK 200 MONOCHROMATOR SI(IIl) ; SI(IIl)

REMARK 200 OPTICS NULL

REMARK 200

REMARK 200 DETECTOR TYPE CCD ; CCD

REMARK 200 DETECTOR MANUFACTURER ADSC QUANTUM 315; ADSC

REMARK 200 QUANTUM 315

REMARK 200 INTENSITY- INTEGRATION SOFTWARE DENZO

REMARK 200 DATA SCALING SOFTWARE SCALEPACK

REMARK 200

REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25077

REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000

REMARK 200 RESOLUTION RANGE LOW (A) : 100.000

REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000

REMARK 200

REMARK 200 OVERALL .

REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5

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REMARK 200 DATA REDUNDANCY : 4.300 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07400 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.3 REMARK 200 DATA REDUNDANCY IN SHELL NULL REMARK 200 R MERGE FOR SHELL (I) : 0.29300 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SHELXS REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%) : 52.13 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS* * 3 /DA) : 2.57 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 26% V/V JEFFAMINE- 2001 , 200MM REMARK 280 SODIUM CHLORIDE, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X, Y, Z REMARK 290 2555 -Y, X-Y, 1/3+Z REMARK 290 3555 -X+Y, -X,2/3+Z REMARK 290 4555 Y, X, -Z REMARK 290 5555 X-Y, -Y, 2/3-Z REMARK 290 6555 -X, -X+Y,l/3-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES . REMARK 290 SMTRYl 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRYl 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 30.28100 REMARK 290 SMTRYl 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 60.56200

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REMARK 290 SMTRYl 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRYl 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 60.56200 REMARK 290 SMTRYl 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 ξMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 30.28100 REMARK 290 REMARK 290 REMARK : NULL REMARK 300 REMARK 300 BXOMOLECULE : 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS : A REMARK 350 BIOMTl 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSEQI REMARK 465 GLY A 240 REMARK 465 ILE A 241 REMARK 465 THR A 242 REMARK 465 SER A 243 REMARK 465 PRO A 244 REMARK 465 GLU A 245 REMARK 465 GLY A 246 REMARK 465 SER A 247 REMARK 465 LYS A 248 REMARK 465 LYS A 281 REMARK 465 ASP A 282 REMARK 465 HIS A 283 REMARK 465 GLY A 377 REMARK 465 GLY A 378 REMARK 465 PHE A 379 REMARK 465 GLN A 380 REMARK 465 CYS A 381 REMARK 465 VAL A 382

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REMARK 465 PHE A 383

REMARK 465 PRO A 384

REMARK 465 GLY A 385

REMARK 465 CYS A 386

REMARK 500

REMARK 500 GEOMETRY AND STEREOCHEMISTRY

REMARK 500 SUBTOPIC: TORSION ANGLES

REMARK 500

REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:

REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;

REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) .

REMARK 500

REMARK 500 STANDARD TABLE:

REMARK 500 FORMAT: (10X, 13, IX, A3 , IX, Al, 14 , Al , 4X, F7.2 , 3X, F7.2 )

REMARK 500

REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996) . PHl/PSI-

REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400

REMARK 500

REMARK 500 M RES CSSEQI PSI PHI

REMARK 500 HIS A 87 -157.60 -100.92

REMARK 500 SER A 156 -117.52 47.69

REMARK 500 ALA A 321 -76.33 -140.75

REMARK 500 HIS A 349 -108.23 -107.72

REMARK 500

REMARK 500 REMARK: NULL

REMARK 900

REMARK 900 RELATED ENTRIES

REMARK 900 RELATED ID: 3C5W RELATED DB: PDB

REMARK 999

REMARK 999 SEQUENCE

REMARK 999 PME-I WITH INTERNAL PROTEOLYTIC DELETION (DELTA 249-280)

DBREF 3C5V A 39 248 UNP Q9Y570 PPME1_HUMAN 39 248

DBREF 3C5V A 281 386 UNP Q9Y570 PPME1_HUMAN 281 386

SEQRES 1 A 316 ARG ASP PHE SER PRO VAL PRO TRP SER GLN TYR PHE GLU

SEQRES 2 A 316 SER MET GLU ASP VAL GLU VAL GLU ASN GLU THR GLY LYS

SEQRES 3 A 316 ASP THR PHE ARG VAL TYR LYS SER GLY SER GLU GLY PRO

SEQRES 4 A 316 VAL LEU LEU LEU LEU HIS GLY GLY GLY HIS SER ALA LEU

SEQRES 5 A 316 SER TRP ALA VAL PHE THR ALA ALA ILE ILE SER ARG VAL

SEQRES 6 A 316 GLN CYS ARG ILE VAL ALA LEU ASP LEU ARG SER HIS GLY

SEQRES 7 A 316 GLU THR LYS VAL LYS ASN PRO GLU ASP LEU SER ALA GLU

SEQRES 8 A 316 THR MET ALA LYS ASP VAL GLY ASN VAL VAL GLU ALA MET

SEQRES 9 A 316 TYR GLY ASP LEU PRO PRO PRO ILE MET LEU ILE GLY HIS

SEQRES 10 A 316 SER MET GLY GLY ALA ILE ALA VAL HIS THR ALA SER SER

SEQRES 11 A 316 ASN LEU VAL PRO SER LEU LEU GLY LEU CYS MET ILE ASP

SEQRES 12 A 316 VAL VAL GLU GLY THR ALA MET ASP ALA LEU ASN SER MET

SEQRES 13 A 316 GLN ASN PHE LEU ARG GLY ARG PRO LYS THR PHE LYS SER

SEQRES 14 A 316 LEU GLU ASN ALA ILE GLU TRP SER VAL LYS SER GLY GLN

SEQRES 15 A 316 ILE ARG ASN LEU GLU SER ALA ARG VAL SER MET VAL GLY

SEQRES 16 A 316 GLN VAL LYS GLN CYS GLU GLY ILE THR SER PRO GLU GLY

SEQRES 17 A 316 SER LYS LYS ASP HIS PRO TYR THR TRP ARG ILE GLU LEU

SEQRES 18 A 316 ALA LYS THR GLU LYS TYR TRP ASP GLY TRP PHE ARG GLY

SEQRES 19 A 316 LEU SER ASN LEU PHE LEU SER CYS PRO ILE PRO LYS LEU

SEQRES 20 A 316 LEU LEU LEU ALA GLY VAL ASP ARG LEU ASP LYS ASP LEU

SEQRES 21 A 316 THR ILE GLY GLN MET GLN GLY LYS PHE GLN MET GLN VAL

SEQRES 22 A 316 LEU PRO GLN CYS GLY HIS ALA VAL HIS GLU ASP ALA PRO

SEQRES 23 A 316 ASP LYS VAL ALA GLU ALA VAL ALA THR PHE LEU ILE ARG

SEQRES 24 A 331166 HIS ARG PHE ALA GLU PRO ILE GLY GLY PHE GLN CYS VAL

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SEQRES 25 A :316 PHE: PRO GLY CYS

FORMUL 2 HOH *283 ■ (H2 O)

HELIX 1 1 PRO A 45 TYR A 49 5 5

HELIX 2 2 SER A 88 SER A 91 5 4

HELIX 3 3 TRP A 92 SER A 101 1 10

HELIX 4 4 SER A 127 GLY A 144 1 18

HELIX 5 5 SER A 156 SER A 168 1 13

HELIX 6 6 VAL A 183 ARG A 201 1 19

HELIX 7 7 SER A 207 SER A 218 1 12

HELIX 8 8 ASN A 223 GLN A 234 1 12

HELIX 9 9 GLU A 290 LYS A 293 5 4

HELIX 10 10 THR A 294 ARG A 303 1 10

HELIX 11 11 GLY A 304 CYS A 312 1 9

HELIX 12 12 ASP A 327 GLN A 336 1 10

HELIX 13 13 ALA A 350 ALA A 355 1 6

HELIX 14 14 ALA A 355 HIS A 370 1 16

SHEET 1 A 8 SER A 52 ASN A 60 0

SHEET 2 A 8 GLY A 63 SER A 72 -1 O ASP A 65 N VAL A 58

SHEET 3 A 8 ARG A 106 LEU A 110 -1 O ALA A 109 N TYR A 70

SHEET 4 A 8 VAL A 78 LEU A 82 1 N LEU A 79 O ARG A 106

SHEET 5 A 8 ILE A 150 HIS A 155 1 O ILE A 153 N LEU A 82

SHEET 6 A 8 LEU A 174 ILE A 180 1 O LEU A 175 N ILE A 150

SHEET 7 A 8 LYS A 316 LEU A 320 1 O LEU A 317 N LEU A 177

SHEET 8 A 8 GLN A 340 VAL A 343 1 O GLN A 340 N LYS A 316

SHEET 1 B 2 VAL A 235 GLN A 237 0

SHEET 2 B 2 TYR A 285 TRP A 287 -1 O THR A 286 N LYS A 236

CRYSTl 82 .512 82. .512 90.843 90. I 30 90.00 120.00 P 31 2 1 6

ORIGXl 1.000000 I 3.000000 0. 000000 0.1 30000

ORIGX2 0.000000 : L.000000 0. 000000 0.1 30000

ORIGX3 0.000000 ( 3.000000 1. 000000 0.1 30000

SCALEl 0.012119 i D.006997 0. 000000 0.( 30000

SCALE2 0.000000 ( 3.013994 0. 000000 0.1 30000

SCALE3 0.000000 ( 3.000000 0. 011008 0. ( 30000

ATOM 1 N ARG A 39 36 .930 -18 .509 -15 .684 1 .00 33 .68 N

ATOM 2 CA ARG A 39 36 .640 -17 .391 -14 .740 1 .00 29 .93 C

ATOM 3 C ARG A 39 37 .399 -16 .138 -15 .158 1 .00 27 .15 C

ATOM 4 O ARG A 39 38 .383 -16 .220 -15. .892 1 .00 26. .98 O

ATOM 5 CB ARG A 39 37 .033 -17 .786 -13. .309 1 .00 32. .28 C

ATOM 6 CG ARG A 39 36 .291 -19 .008 -12. .789 1 .00 36. ,94 C

ATOM 7 CD ARG A 39 36 .341 -19 .126 -11. .267 1 .00 39. 34 C

ATOM 8 NE ARG A 39 37 .657 -19 .464 -10. 725 1 .00 45. 43 N

ATOM 9 CZ ARG A 39 38 .353 -20 .555 -11. 041 1 .00 48. 80 C

ATOM 10 NHl ARG A 39 37 .871 -21 .433 -11. 912 1 .00 52. 17 N

ATOM 11 NH2 ARG A 39 39 .528 -20 .781 -10. 465 1 .00 46. 98 N

ATOM 12 N ASP A 40 36 .935 -14 .981 -14. 689 1 .00 25. 30 N

ATOM 13 CA ASP A 40 37 .568 -13 .700 -15. 008 1 .00 22. 36 C

ATOM 14 C ASP A 40 38 .526 -13 .291 -13. 883 1 .00 23. 44 C

ATOM 15 O ASP A 40 38 .098 -13 .044 -12. 755 1 .00 20. 86 O

ATOM 16 CB ASP A 40 36 .492 -12 .627 -15. 185 1 .00 26. 23 C

ATOM 17 CG ASP A 40 37 .032 -11 .345 -15. 781 1 .00 26. 49 C

ATOM 18 ODl ASP A 40 38 .266 -11 .153 -15. 803 1 .00 25. 14 O

ATOM 19 OD2 ASP A 40 36 .207 -10 .521 -16. 223 1 .00 33. 06 O

ATOM 20 N PHE . A 41 39. .815 -13 .202 -14. 207 1 .00 21. 41 N

ATOM 21 CA PHE . A 41 40. .860 -12 .849 -13. 241 1 .00 22. 56 C

ATOM 22 C PHE . A 41 41. .450 -11 .452 -13. 438 1 .00 20. 13 C

ATOM 23 O PHE . A 41 42. 469 -11 .118 -12. 831 1 .00 22. 05 O

ATOM 24 CB PHE , A 41 41. 997 -13 .879 -13. 315 1 .00 20. 82 C

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ATOM 25 CG PHE A 41 41.579 -15.272 -12.945 1.00 23.74 C

ATOM 26 CDl PHE A 41 41 .428 -15 .633 -11 .613 1 .00 20 .61 C

ATOM 27 CD2 PHE A 41 41 .327 -16 .224 -13 .932 1 .00 22 .16 C

ATOM 28 CEl PHE A 41 41 .035 -16 .925 -11 .267 1 .00 23 .50 C

ATOM 29 CE2 PHE A 41 40 .932 -17 .517 -13 .599 1 .00 23 .54 C

ATOM 30 CZ PHE A 41 40 .787 -17 .870 -12 .266 1 .00 23 .87 C

ATOM 31 N SER A 42 40 .820 -10 .647 -14 .290 1 .00 20 .37 N

ATOM 32 CA SER A 42 41 .295 -9 .295 -14 .558 1 .00 21 .13 C

ATOM 33 C SER A 42 41 .187 -8 .433 -13 .302 1 .00 19 .48 C

ATOM 34 O SER A 42 40 .303 - o .642 -12 .468 1 .00 22 .49 O

ATOM 35 CB SER A 42 40 .493 -8 .662 -15 .704 1 .00 20 .81 C

ATOM 36 OG SER A 42 39 .108 -8 .625 -15 .404 1 .00 23 .36 O

ATOM 37 N PRO A 43 42 .094 -7 .459 -13 .153 1 .00 18 .84 N

ATOM 38 CA PRO A 43 42 .151 -6 .538 -12 .014 1 .00 20 .04 C

ATOM 39 C PRO A 43 40 .904 -5 .673 -11 .871 1 .00 21 .88 C

ATOM 40 O PRO A 43 40 .330 -5 .227 -12 .864 1 .00 20 .75 O

ATOM 41 CB PRO A 43 43 .372 — S .679 -12 .319 1 .00 22 .03 C

ATOM 42 CG PRO A 43 44 .178 -6 .511 -13 .266 1 .00 20 .85 C

ATOM 43 CD PRO A 43 43 .146 -7 .133 -14 .129 1 .00 21 .83 C

ATOM 44 N VAL A 44 40 .502 -5 .445 -10 .627 1 .00 21 .12 N

ATOM 45 CA VAL A 44 39 .353 -4 .608 -10 .306 1 .00 22 .89 C

ATOM 46 C VAL A 44 39 .916 -3 .464 -9 .463 1 .00 23 .62 C

ATOM 47 O VAL A 44 40 .629 -3 .699 -8 .486 1 .00 21 .21 O

ATOM 48 CB VAL A 44 38 .302 -5 .393 -9 .498 1 .00 23 .75 C

ATOM 49 CGl VAL A 44 37 .220 -4 .441 -8. .972 1 .00 24 .01 C

ATOM 50 CG2 VAL A 44 37 .676 -6 .473 -10 .379 1 .00 17 .83 C

ATOM 51 N PRO A 45 39. .614 -2 .208 -9. .836 1 .00 23 .17 N

ATOM 52 CA PRO A 45 40. .111 -1 .040 -9, .102 1. .00 21 .35 C

ATOM 53 C PRO A 45 39. .443 -0 .751 -7 , .755 1 .00 17. .32 C

ATOM 54 O PRO A 45 38. .308 -1. .147 -7. .505 1. .00 17. .26 O

ATOM 55 CB PRO A 45 39. .916 0. .094 -10. .106 1. .00 23. .95 C

ATOM 56 CG PRO A 45 38. 658 -0. .299 -10. 780 1. .00 25. 71 C

ATOM 57 CD PRO A 45 38. 826 -1. .791 -11. 010 1. .00 25. .99 C

ATOM 58 N TRP A 46 40. 166 -0. .035 -6. 902 1. .00 21. 73 N

ATOM 59 CA TRP A 46 39. 679 0. 325 -5. 579 1. 00 20. 36 C

ATOM 60 C TRP A 46 38. 336 1. 047 -5. 616 1. 00 21. 07 C

ATOM 61 O TRP A 46 37. 527 0. 915 -4. 700 1. 00 19. 23 O

ATOM 62 CB TRP A 46 40. 696 1. 223 -4. 867 1. 00 19. 64 C

ATOM 63 CG TRP A 46 40. 938 2. 551 -5. 543 1. 00 23. 61 C

ATOM 64 CDl TRP A 46 41. 937 2. 854 -6. 425 1. 00 25. 25 C

ATOM 65 CD2 TRP A 46 40. 159 3. 748 -5. 393 1. 00 22. 71 C

ATOM 66 NEl TRP A 46 41. 830 4. 165 -6. 832 1. 00 26. 40 N

ATOM 67 CE2 TRP A 46 40. 747 4. 735 -6. 215 1. 00 24. 55 C

ATOM 68 CE3 TRP A 46 39. 020 4. 081 -4. 644 1. 00 22. 53 C

ATOM 69 CZ2 TRP A 46 40. 234 6. 039 -6. 310 1. 00 25. 27 C

ATOM 70 CZ3 TRP A 46 38. 509 5. 379 -4. 739 1. 00 22. 61 C

ATOM 71 CH2 TRP A 46 39. 120 6. 339 _ ^ 567 1. 00 22. 52 C

ATOM 72 N SER A 47 38. 101 1. 803 -6. 682 1. 00 20. 14 N

ATOM 73 CA SER A 47 36. 875 2. 581 -6. 813 1. 00 20. 31 C

ATOM 74 C SER A 47 35. 591 1. 774 -6. 921 1. 00 22. 48 C

ATOM 75 O SER A 47 34. 497 2. 335 -6. 826 1. 00 21. 22 O

ATOM 76 CB SER A 47 36. 995 3. 544 -7. 998 1. 00 21. 19 C

ATOM 77 OG SER A 47 37. 363 2. 849 -9. 166 1. 00 22. 04 O

ATOM 78 N GLN A 48 35. 706 0. 466 _ ₇ 128 1. 00 19. 87 N

ATOM 79 CA GLN A 48 34. 513 -0. 369 -7. 202 1. 00 18. 97 C

ATOM 80 C GLN A 48 34. 042 -0. 665 -5. 781 1. 00 20. 14 C

ATOM 81 O GLN . A 48 32. 922 _ 2_ 140 ~ 5 576 1. 00 18. 58 O

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# 10691216 vl

ATOM 82 CB GLN A 48 34.809 -1.700 -7.901 1.00 23.36 C

ATOM 83 CG GLN A 48 34 .856 -1 .643 — 9 .426 1 .00 30 .89 C

ATOM 84 CD GLN A 48 33 .587 -1 .059 -10 .024 1 .00 32 .29 C

ATOM 85 OEl GLN A 48 33 .492 0 .148 -10 .248 1 .00 34 .34 O

ATOM 86 NE2 GLN A 48 32 .600 _ J _^ .912 -10 .269 1 .00 29 .56 N

ATOM 87 N TYR A 49 34 .898 -0 .375 -4 .802 1 .00 19 .02 N

ATOM 88 CA TYR A 49 34 .577 -0 .659 -3 .406 1 .00 17 .48 C

ATOM 89 C TYR A 49 34 .639 0 .519 -2 .444 1 .00 19 .58 C

ATOM 90 O TYR A 49 33 .851 0 .585 -1 .500 1 .00 23 .32 O

ATOM 91 CB TYR A 49 35 .489 -1 .779 -2 .907 1 .00 20 .66 C

ATOM 92 CG TYR A 49 35 .213 -3 .093 -3 .594 1 .00 19 .12 C

ATOM 93 CDl TYR A 49 34 .159 -3 .908 -3 .179 1 .00 19 .24 C

ATOM 94 CD2 TYR A 49 35 .966 -3 .494 -4 .699 1 .00 20 .83 C

ATOM 95 CEl TYR A 49 33 .856 -5 .091 -3 .850 1 .00 19 .50 C

ATOM 96 CE2 TYR A 49 35 .673 -4 .679 -5 .379 1 .00 21 .27 C

ATOM 97 CZ TYR A 49 34 .618 -5 .470 -4 .951 1 .00 18 .76 C

ATOM 98 OH TYR A 49 34 .309 -6 .633 -5 .625 1 .00 20 .53 O

ATOM 99 N PHE A 50 35 .576 1 .436 -2 .670 1 .00 17 .55 N

ATOM 100 CA PHE A 50 35 .732 2 .608 -1 .807 1 .00 20 .78 C

ATOM 101 C PHE A 50 35 .252 3 .861 .537 1 .00 21 .98 C

ATOM 102 O PHE A 50 35 .425 3 .981 -3 .749 1 .00 20 .64 O

ATOM 103 CB PHE A 50 37 .204 2 .791 -1 .422 1 .00 19 .08 C

ATOM 104 CG PHE A 50 37 .777 1 .646 -0 .620 1 .00 21 .16 C

ATOM 105 CDl PHE A 50 37 .538 1 .546 0 .745 1 .00 20 .35 C

ATOM 106 CD2 PHE A 50 38 .573 0 .685 -1 .229 1 .00 21 .24 C

ATOM 107 CEl PHE A 50 38 .087 0 .508 1 .495 1 .00 16 .95 C

ATOM 108 CE2 PHE A 50 39 .128 -0 .359 -0 .490 1 .00 17 .59 C

ATOM 109 CZ PHE A 50 38 .885 -0 .445 0 .875 1 .00 18 .83 C

ATOM 110 N GLU A 51 34 .661 4 .796 -1 .800 1 .00 23 .58 N

ATOM 111 CA GLU A 51 34 .165 6. .035 -2. .396 1 .00 23 .08 C

ATOM 112 C GLU A 51 35. .291 6. .986 -2. .777 1. .00 20. .93 C

ATOM 113 O GLU A 51 35. .176 7. .738 -3. .745 1. .00 23. .51 O

ATOM 114 CB GLU A 51 33. ,202 6. .735 -1. .435 1. .00 24. , 18 C

ATOM 115 CG GLU A 51 31. .823 6. 105 -1. 390 1. .00 32. .18 C

ATOM 116 CD GLU A 51 30. 997 6. 589 -0. 211 1. .00 36. 69 C

ATOM 117 OEl GLU A 51 31. 040 7. 797 0. 089 1. 00 38. 40 O

ATOM 118 OE2 GLU A 51 30. 298 5. 763 0. 411 1. 00 41. 29 O

ATOM 119 N SER A 52 36. 382 6. 955 -2. 025 1. 00 20. 19 N

ATOM 120 CA SER A 52 37. 507 7. 832 -2. 324 1. 00 19. 57 C

ATOM 121 C SER A 52 38. 801 7. 279 -1. 765 1. 00 21. 80 C

ATOM 122 O SER A 52 38. 803 6. 308 -1. 011 1. 00 20. 53 O

ATOM 123 CB SER A 52 37. 270 9. 221 -1. 731 1. 00 22. 60 C

ATOM 124 OG SER A 52 37. 258 9. 168 -0. 312 1. 00 25. 39 O

ATOM 125 N MET A 53 39. 904 7. 910 -2. 141 1. 00 19. 67 N

ATOM 126 CA MET A 53 41. 210 7. 505 -1. 658 1. 00 24. 12 C

ATOM 127 C MET A 53 42. 022 8. 776 -1. 475 1. 00 24. 37 C

ATOM 128 O MET A 53 41. 755 9. 787 -2. 119 1. 00 23. 06 O

ATOM 129 CB MET A 53 41. 894 6. 590 _ 2 667 1. 00 26. 76 C

ATOM 130 CG MET A 53 42. 326 7. 299 -3. 917 1. 00 31. 35 C

ATOM 131 SD MET A 53 44. 070 7. 025 -4. 195 1. 00 43. 65 S

ATOM 132 CE MET A 53 44. 754 8. 218 -3. 146 1. 00 22. 42 C

ATOM 133 N GLU A 54 43. 013 8. 727 -0. 597 1. 00 23. 48 N

ATOM 134 CA GLU A 54 43. 830 9. 899 -0. 348 1. 00 26. 36 C

ATOM 135 C GLU A 54 45. 236 9. 485 0. 044 1. 00 26. 22 C

ATOM 136 O GLU A 54 45. 462 8. 386 0. 549 1. 00 20. 75 O

ATOM 137 CB GLU A 54 43. 212 10. 725 0. 788 1. 00 30. 48 C

ATOM 138 CG GLU . A 54 43. 218 12. 229 0. 566 1. 00 41. 31 C

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» 10691216 vl

ATOM 139 CD GLU A 54 42.316 12.669 -0.581 1.00 43.97 C

ATOM 140 OEl . GLU A 54 41 .084 12 .445 -0 .508 1 .00 46 .24 O

ATOM 141 OE2 GLU A 54 42 .842 13 .242 -1 .560 1 .00 48 .79 O

ATOM 142 N ASP A 55 46 .188 10 .363 -0 .223 1 .00 23 .19 N

ATOM 143 CA ASP A 55 47 .559 10 .122 0 .163 1 .00 24 .59 C

ATOM 144 C ASP A 55 47 .766 11 .146 1 .272 1 .00 24 .99 C

ATOM 145 O ASP A 55 47 .902 12 .339 1 .016 1 .00 23 .61 O

ATOM 146 CB ASP A 55 48 .500 10 .346 -1 .024 1 .00 28 .10 C

ATOM 147 CG ASP A 55 48 .491 9 .169 -1 .993 1 .00 31 .19 C

ATOM 148 ODl ASP A 55 48 .698 8 .024 -1 .537 1 .00 28 .71 O

ATOM 149 OD2 ASP A 55 48 .276 9 .378 _ 3 .203 1 .00 34 .84 O

ATOM 150 N VAL A 56 47 .740 10 .670 2 .512 1 .00 22 .37 N

ATOM 151 CA VAL A 56 47 .875 11 .534 3 .676 1 .00 19 .40 C

ATOM 152 C VAL A 56 49 .320 11 .889 4 .003 1 .00 22 .05 C

ATOM 153 O VAL A 56 50 .143 11 .020 4 .286 1 .00 17 .46 O

ATOM 154 CB VAL A 56 47 .210 10 .874 4 .906 1 .00 19 .69 C

ATOM 155 CGl VAL A 56 47 .265 11 .803 6 .100 1 .00 18 .07 C

ATOM 156 CG2 VAL A 56 45 .764 10 .513 4 .571 1 .00 18 .83 C

ATOM 157 N GLU A 57 49 .620 13 .183 3 .973 1 .00 20 .44 N

ATOM 158 CA GLU A 57 50 .962 13 .648 4 .259 1 .00 23 .32 C

ATOM 159 C GLU A 57 51 .214 13 .710 5 .753 1 .00 23 .64 C

ATOM 160 O GLU A 57 50 .382 14 .208 6 .511 1 .00 21 .70 O

ATOM 161 CB GLU A 57 51 .182 15 .036 3 .654 1 .00 29 .72 C

ATOM 162 CG GLU A 57 51 .239 15 .072 2 .142 1 .00 39 .00 C

ATOM 163 CD GLU A 57 51 .476 16 .477 1 .614 1 .00 45 .70 C

ATOM 164 OEl GLU A 57 50 .568 17 .327 1 .742 1 .00 48 .76 O

ATOM 165 OE2 GLU A 57 52 .577 16 .736 1 .083 1. .00 49. .39 O

ATOM 166 N VAL A 58 52 .365 13 .197 6 .170 1. .00 21. .75 N

ATOM 167 CA VAL A 58 52 .750 13 .213 7. .573 1. .00 25. .41 C

ATOM 168 C VAL A 58 54 .212 13. .625 7. .658 1. .00 31. .04 C

ATOM 169 O VAL A 58 55 .064 13. .070 6. .966 1. .00 30. .03 O

ATOM 170 CB VAL A 58 52. .563 11. .819 8. .230 1. 00 24. 66 C

ATOM 171 CGl VAL A 58 53. .158 11. .811 9. .627 1. 00 26. 67 C

ATOM 172 CG2 VAL A 58 51. .080 11. .477 8. 299 1. 00 21. 86 C

ATOM 173 N GLU A 59 54. .497 14. 619 8. 490 1. 00 39. 82 N

ATOM 174 CA GLU A 59 55. 864 15. 089 8. 665 1. 00 51. 34 C

ATOM 175 C GLU A 59 56. 350 14. 556 10. 005 1. 00 56. 01 C

ATOM 176 O GLU A 59 55. 939 15. 035 11. 061 1. 00 59. 42 O

ATOM 177 CB GLU A 59 55. 909 16. 620 8. 660 1. 00 53. 10 C

ATOM 178 CG GLU A 59 55. 071 17. 261 9. 754 1. 00 62. 22 C

ATOM 179 CD GLU A 59 55. 238 18. 766 9. 822 1. 00 67. 40 C

ATOM 180 OEl GLU A 59 56. 393 19. 233 9. 938 1. 00 70. 37 O

ATOM 181 OE2 GLU A 59 54. 213 19. 481 9. 769 1. 00 69. 86 O

ATOM 182 N ASN A 60 57. 215 13. 551 9. 966 1. 00 61. 02 N

ATOM 183 CA ASN A 60 57. 724 12. 975 11. 199 1. 00 66. 15 C

ATOM 184 C ASN A 60 59. 226 13. 166 11. 385 1. 00 69. 12 C

ATOM 185 O ASN A 60 59. 895 13. 805 10. 568 1. 00 71. 01 O

ATOM 186 CB ASN A 60 57. 362 11. 486 11. 273 1. 00 67. 86 C

ATOM 187 CG ASN A 60 57. 111 10. 717 10. 033 1. 00 69. 50 C

ATOM 188 ODl ASN A 60 57. ill 9. 532 9. 897 1. 00 70. 34 O

ATOM 189 ND2 ASN A 60 58. 478 11. 385 9. 122 1. 00 71. 26 N

ATOM 190 N GLU A 61 59. 737 12. 605 12. 477 1. 00 71. 01 N

ATOM 191 CA GLU A 61 61. 148 12. 694 12. 835 1. 00 72. 72 C

ATOM 192 C GLU A 61 62. 111 12. 414 11. 682 1. 00 71. 45 C

ATOM 193 O GLU A 61 63. 182 13. 019 11. 607 1. 00 71. 13 O

ATOM 194 CB GLU A 61 61. 434 11. 734 13. 992 1. 00 74. 95 C

ATOM 195 CG GLU A 61 60. 508 11. 937 15. 182 1. 00 79. 18 C

-47-

« 10691216 v l

ATOM 196 CD GLU ^' A 61 60.677 10.873 16.247 1.00 81..59 C

ATOM 197 OEl . GLU ' A 61 59 .937 10 .918 17 .253 1.00 83 .73 O

ATOM 198 OE2 GLU ¹ A 61 61 .549 9 .994 16 .081 1.00 83 .17 O

ATOM 199 N THR A 62 61 .734 11 .504 10 .787 1.00 68 .87 N

ATOM 200 CA THR A 62 62 .589 11 .162 9 .654 1.00 66 .12 C

ATOM 201 C THR A 62 62 .289 11 .986 8 .405 1.00 63 .79 C

ATOM 202 O THR A 62 62 .886 11 .762 7 .351 1.00 63 .65 O

ATOM 203 CB THR A 62 62 .480 9 .658 9 .291 1.00 66 .23 C

ATOM 204 OGl THR A 62 61 .128 9 .339 8 .940 1.00 66 .65 O

ATOM 205 CG2 THR A 62 62 .921 8 .790 10 .461 1.00 66 .32 C

ATOM 206 N GLY A 63 61 .369 12 .940 8 .519 1.00 60 .91 N

ATOM 207 CA GLY A 63 61 .041 13 .771 7 .375 1.00 56 .45 C

ATOM 208 C GLY A 63 59 .562 13 .861 7 .050 1.00 54 .28 C

ATOM 209 O GLY A 63 58 .724 13 .987 7 .945 1.00 54 .17 O

ATOM 210 N LYS A 64 59 .244 13 .790 5 .761 1.00 50 .45 N

ATOM 211 CA LYS A 64 57 .864 13 .881 5 .295 1.00 46 .99 C

ATOM 212 C LYS A 64 57 .410 12 .609 4 .579 1.00 42 .15 C

ATOM 213 O LYS A 64 57 .894 12 .284 3 .496 1.00 41 .59 O

ATOM 214 CB LYS A 64 57 .721 15 .079 4 .357 1.00 47 .78 C

ATOM 215 CG LYS A 64 56 .295 15 .412 3 .969 1.00 52 .37 C

ATOM 216 CD LYS A 64 56 .250 16 .756 3 .261 1.00 56 .94 C

ATOM 217 CE LYS A 64 54 .826 17 .248 3 .063 1.00 60 .14 C

ATOM 218 NZ LYS A 64 54 .803 18 .609 2 .449 1.00 61 .23 N

ATOM 219 N ASP A 65 56 .467 11 .899 5 .186 1.00 35 .57 N

ATOM 220 CA ASP A 65 55 .957 10 .665 4 .607 1.00 32 .12 C

ATOM 221 C ASP A 65 54 .539 10 .804 4 .077 1.00 28 .91 C

ATOM 222 O ASP A 65 53. .832 11 .756 4 .392 1.00 29 .02 O

ATOM 223 CB ASP A 65 56. .006 9 .542 5. .644 1.00 30 .47 C

ATOM 224 CG ASP A 65 57. .413 9, .270 6. .138 1.00 31 .78 C

ATOM 225 ODl ASP A 65 58. .355 9. .364 5. .321 1.00 31 .86 O

ATOM 226 OD2 ASP A 65 57. .581 8. .954 7. .333 1.00 33. .41 O

ATOM 227 N THR A 66 54. .129 9. .842 3. .262 1.00 28 , .97 N

ATOM 228 CA THR A 66 52. 790 9. .848 2. .704 1.00 24. ,78 C

ATOM 229 C THR A 66 52. 159 8. .477 2. .893 1.00 22. .94 C

ATOM 230 O THR A 66 52. 757 7. 460 2. 541 1.00 19. 72 O

ATOM 231 CB THR A 66 52. 821 10. 207 1. 214 1.00 26. 41 C

ATOM 232 OGl THR A 66 53. 378 11. 519 1. 061 1.00 34. 86 O

ATOM 233 CG2 THR A 66 51. 424 10. 202 0. 641 1.00 28. 88 C

ATOM 234 N PHE A 67 50. 953 8. 463 3. 458 1.00 21. 35 N

ATOM 235 CA PHE A 67 50. 221 7. 229 3. 717 1.00 17. 00 C

ATOM 236 C PHE A 67 48. 950 7. 142 2. 876 1.00 19. 27 C

ATOM 237 O PHE A 67 48. 125 8. 064 2. 853 1.00 17. 76 O

ATOM 238 CB PHE A 67 49. 872 7. 135 5. 209 1.00 17. 11 C

ATOM 239 CG PHE A 67 51. 067 6. 901 6. 098 1.00 18. 86 C

ATOM 240 CDl PHE A 67 51. 450 5. 605 6. 446 1.00 15. 08 C

ATOM 241 CD2 PHE A 67 51. 831 7. 973 6. 560 1.00 18. 93 C

ATOM 242 CEl PHE A 67 52. 578 5. 383 7. 238 1.00 16. 49 C

ATOM 243 CE2 PHE A 67 52. 961 7. 762 7. 351 1.00 18. 93 C

ATOM 244 CZ PHE A 67 53. 335 6. 463 7. 690 1.00 18. 60 C

ATOM 245 N ARG A 68 48. 790 6. 022 2. 185 1.00 14. 45 N

ATOM 246 CA ARG A 68 47. 617 5. 821 1. 347 1.00 17. 78 C

ATOM 247 C ARG A 68 46. 440 5. 301 2. 167 1.00 17. 62 C

ATOM 248 O ARG A 68 46. 594 4. 385 2. 975 1.00 19. 72 O

ATOM 249 CB ARG A 68 47. 953 4. 832 0. 221 1.00 17. 37 C

ATOM 250 CG ARG . A 68 46. 759 4. 286 -0. 565 1.00 17. 48 C

ATOM 251 CD ARG . A 68 46. 002 5. 395 -1. 292 1.00 17. 19 C

ATOM 252 NE ARG . A 68 46. 848 6. 100 -2. 247 1.00 20. 90 N

-48-

P 10691216 vl

ATOM 253 CZ ARG A 68 47'.107 5.679 -3.482 1.00i 24.34 C

ATOM 254 NHl . ARG A 68 46 .580 4.545 -3.933 1.00 23 .76 N

ATOM 255 NH2 : ARG A 68 47 .898 6.396 -4.270 1.00 22 .07 N

ATOM 256 N VAL A 69 45 .271 5.908 1.985 1.00 17 .74 N

ATOM 257 CA VAL A 69 44 .066 5.443 2.667 1.00 15 .54 C

ATOM 258 C VAL A 69 42 .949 5.385 1.640 1.00 16 .48 C

ATOM 259 O VAL A 69 42 .917 6.179 0.691 1.00 17 .13 O

ATOM 260 CB VAL A 69 43 .608 6.368 3.846 1.00 16 .02 C

ATOM 261 CGl VAL A 69 44 .617 6.325 4.976 1.00 12 .33 C

ATOM 262 CG2 VAL A 69 43 .394 7.797 3.357 1.00 13 .62 C

ATOM 263 N TYR A 70 42 .055 4.420 1.807 1.00 14 .29 N

ATOM 264 CA TYR A 70 40 .904 4.274 0.926 1.00 16 .48 C

ATOM 265 C TYR A 70 39 .740 4.505 1.864 1.00 18 .13 C

ATOM 266 O TYR A 70 39 .704 3.939 2.957 1.00 17 .21 O

ATOM 267 CB TYR A 70 40 .870 2.873 0.316 1.00 17 .29 C

ATOM 268 CG TYR A 70 42 .055 2.615 -0.591 1.00 16 .17 C

ATOM 269 CDl TYR A 70 42 .054 3.048 -1.919 1.00 17 .10 C

ATOM 270 CD2 TYR A 70 43 .195 1.972 -0.109 1.00 18 .55 C

ATOM 271 CEl TYR A 70 43 .167 2.845 -2.748 1.00 16 .75 C

ATOM 272 CE2 TYR A 70 44 .313 1.761 -0.923 1.00 17 .03 C

ATOM 273 CZ TYR A 70 44 .292 2.200 -2.239 1.00 19 .08 C

ATOM 274 OH TYR A 70 45 .400 1.997 -3.032 1.00 19 .77 O

ATOM 275 N LYS A 71 38 .785 5.329 1.446 1.00 16 .21 N

ATOM 276 CA LYS A 71 37 .681 5.670 2.327 1.00 19 .31 C

ATOM 277 C LYS A 71 36 .279 5.477 1.779 1.00 18 .27 C

ATOM 278 O LYS A 71 36 .076 5.352 0.577 1.00 16 .60 O

ATOM 279 CB LYS A 71 37 .862 7.121 2.783 1.00 21 .06 C

ATOM 280 CG LYS A 71 39 .269 7.399 3.306 1.00 25 .14 C

ATOM 281 CD LYS A 71 39 .452 8.839 3.741 1.00 27, .58 C

ATOM 282 CE LYS A 71 39 .397 9.781 2.563 1.00 30, .28 C

ATOM 283 NZ LYS A 71 39 .426 11.205 3.020 1.00 33, .24 N

ATOM 284 N SER A 72 35. .310 5.454 2.689 1.00 19. .07 N

ATOM 285 CA SER A 72 33. .917 5.296 2.310 1.00 20. .59 C

ATOM 286 C SER A 72 32. .984 5.733 3.437 1.00 22. ,87 C

ATOM 287 O SER A 72 33. .335 5.638 4.617 1.00 18. 52 O

ATOM 288 CB SER A 72 33. .640 3.837 1.945 1.00 22. 15 C

ATOM 289 OG SER A 72 32. ,335 3.697 1.429 1.00 31. 23 O

ATOM 290 N GLY A 73 31. 805 6.224 3.059 1.00 23. 66 N

ATOM 291 CA GLY A 73 30. 815 6.654 4.033 1.00 21. 53 C

ATOM 292 C GLY A 73 30. 935 8.093 4.501 1.00 23. 18 C

ATOM 293 O GLY A 73 31. 956 8.747 4.294 1.00 21. 87 O

ATOM 294 N SER A 74 29. 880 8.590 5.142 1.00 22. 60 N

ATOM 295 CA SER A 74 29. 887 9.956 5.651 1.00 23. 44 C

ATOM 296 C SER A 74 29. 449 10.044 7.108 1.00 23. 88 C

ATOM 297 O SER A 74 29. 808 10.993 7.809 1.00 23. 86 O

ATOM 298 CB SER A 74 28. 987 10.845 4.789 1.00 26. 12 C

ATOM 299 OG SER A 74 27. 674 10.316 4.704 1.00 28. 07 O

ATOM 300 N GLU A 75 28. 688 9.056 7.571 1.00 21. 45 N

ATOM 301 CA GLU A 75 28. 205 9.073 8.947 1.00 23. 87 C

ATOM 302 C GLU A 75 28. 517 7.813 9.737 1.00 21. 78 C

ATOM 303 O GLU A 75 28. 844 6.766 9.171 1.00 20. 86 O

ATOM 304 CB GLU A 75 26. 694 9.307 8.964 1.00 24. 77 C

ATOM 305 CG GLU A 75 26. 276 10.568 8.244 1.00 39. 31 C

ATOM 306 CD GLU . A 75 24. 810 10.886 8.438 1.00 43. 49 C

ATOM 307 OEl GLU . A. 75 24. 436 11.315 9.552 1.00 46. 86 O

ATOM 308 OE2 GLU . A 75 24. 035 10.697 7.476 1.00 46. 55 O

ATOM 309 N GLY . A 76 28. 391 7.919 11.054 1.00 18. 65 N

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#10691216 vl

ATOM 310 CA GLY A 76 28.666 6.783 11.906 1.00 15.76 C

ATOM 311 C GLY A 76 30 .137 6.689 12 .254 1.00 16 .03 C

ATOM 312 O GLY A 76 30 .952 7.493 11 .795 1.00 16 .95 O

ATOM 313 N PRO A 77 30 .515 5.695 13 .061 1.00 16 .80 N

ATOM 314 CA PRO A 77 31 .911 5.524 13 .463 1.00 16 .71 C

ATOM 315 C PRO A 77 32 .829 5.175 12 .311 1.00 12 .58 C

ATOM 316 O PRO A 77 32 .430 4.520 11 .354 1.00 17 .71 O

ATOM 317 CB PRO A 77 31 .837 4.390 14 .479 1.00 13 .95 C

ATOM 318 CG PRO A 77 30 .742 3.543 13 .921 1.00 19 .44 C

ATOM 319 CD PRO A 77 29 .689 4.572 13 .540 1.00 16 .68 C

ATOM 320 N VAL A 78 34 .065 5.632 12 .417 1.00 12 .58 N

ATOM 321 CA VAL A 78 35 .067 5.320 11 .418 1.00 12 .80 C

ATOM 322 C VAL A 78 35 .712 4.009 11 .852 1.00 14 .86 C

ATOM 323 O VAL A 78 36 .186 3.877 12 .988 1.00 13 .63 O

ATOM 324 CB VAL A 78 36 .154 6.419 11 .348 1.00 14 .09 C

ATOM 325 CGl VAL A 78 37 .443 5.857 10 .740 1.00 18 .51 C

ATOM 326 CG2 VAL A 78 35 .649 7.586 10 .503 1.00 13 .93 C

ATOM 327 N LEU A 79 35 .688 3.032 10 .961 1.00 12 .76 N

ATOM 328 CA LEU A 79 36 .321 1.744 11 .216 1.00 12 .01 C

ATOM 329 C LEU A 79 37 .701 1.872 10 .561 1.00 12 .22 C

ATOM 330 O LEU A 79 37 .808 1.903 9 .341 1.00 14 .90 O

ATOM 331 CB LEU A 79 35 .498 0.623 10 .561 1.00 13 .99 C

ATOM 332 CG LEU A 79 34 .277 0.076 11 .320 1.00 22 .29 C

ATOM 333 CDl LEU A 79 33 .531 1.167 12 .052 1.00 24 .24 C

ATOM 334 CD2 LEU A 79 33 .376 -0.669 10 .341 1.00 17 .32 C

ATOM 335 N LEU A 80 38 .743 2.001 11 .380 1.00 12 .50 N

ATOM 336 CA LEU A 80 40 .110 2.153 10 .892 1.00 13. .66 C

ATOM 337 C LEU A 80 40 .693 0.748 10 .750 1.00 13. .79 C

ATOM 338 O LEU A 80 41 .026 0.094 11 .741 1.00 13. .47 O

ATOM 339 CB LEU A 80 40 .914 3.003 11. .886 1.00 11. .31 C

ATOM 340 CG LEU A 80 42 .369 3.357 11. .569 1.00 13. .76 C

ATOM 341 CDl LEU A 80 42. .493 4.004 10. .192 1.00 10. .56 C

ATOM 342 CD2 LEU A 80 42. .885 4.300 12. .658 1.00 15. 29 C

ATOM 343 N LEU A 81 40. .812 0.302 9. .504 1.00 13. 43 N

ATOM 344 CA LEU A 81 41. .262 -1.057 9. 194 1.00 16. 16 C

ATOM 345 C LEU A 81 42. .747 -1.202 8. 905 1.00 14. 83 C

ATOM 346 O LEU A 81 43. 298 -0.519 8. 033 1.00 13. 15 O

ATOM 347 CB LEU A 81 40. 452 -1.586 8. 006 1.00 12. 00 C

ATOM 348 CG LEU A 81 38. 968 -1.193 8. 008 1.00 14. 67 C

ATOM 349 CDl LEU A 81 38. 291 -1.712 6. 744 1.00 13. 16 C

ATOM 350 CD2 LEU A 81 38. 276 -1.753 9. 256 1.00 12. 99 C

ATOM 351 N LEU A 82 43. 378 -2.126 9. 626 1.00 13. 59 N

ATOM 352 CA LEU A 82 44. 807 -2.383 9. 494 1.00 13. 68 C

ATOM 353 C LEU A 82 45. 050 -3.814 9. 000 1.00 14. 41 C

ATOM 354 O LEU A 82 44. 738 -4.782 9. 690 1.00 13. 60 O

ATOM 355 CB LEU A 82 45. 493 -2.169 10. 847 1.00 11. 55 C

ATOM 356 CG LEU A 82 45. 242 -0.827 11. 556 1.00 12. 51 C

ATOM 357 CDl LEU A 82 46. 134 -0.745 12. 799 1.00 10. 88 C

ATOM 358 CD2 LEU A 82 45. 563 0.346 10. 608 1.00 12. 49 C

ATOM 359 N HIS A 83 45. 612 -3.917 7. 803 1.00 11. 46 N

ATOM 360 CA HIS A 83 45. 900 -5.184 7. 141 1.00 12. 10 C

ATOM 361 C HIS A 83 47. 076 -5.951 7. 753 1.00 12. 73 C

ATOM 362 O HIS A 83 47. 810 -5.434 8. 606 1.00 10. 15 O

ATOM 363 CB HIS A 83 46. 200 -4.910 5. 667 1.00 12. 39 C

ATOM 364 CG HIS A 83 47. 421 -4.068 5. 458 1.00 15. 10 C

ATOM 365 NDl HIS A 83 48. 697 -4.558 5. 632 1.00 15. 34 N

ATOM 366 CD2 HIS A 83 47. 559 -2.752 5. 172 1.00 13. 07 C

-50- tf 10691216 vl

ATOM 367 CEl. HIS A 83 49.569 -3.578 5.468 1.00 12.74 C

ATOM 368 NE2i HIS A 83 48 .904 -2 .472 5 .190 1 .00 15 .28 N

ATOM 369 N GLY A 84 47 .254 -7 .182 7 .281 1 .00 15 .18 N

ATOM 370 CA GLY A 84 48 .325 -8 .026 7 .765 1 .00 14 .68 C

ATOM 371 C GLY A 84 49 .607 -7 .875 6 .970 1 .00 15 .78 C

ATOM 372 O GLY A 84 49 .658 -7 .159 5 .964 1 .00 15 .42 O

ATOM 373 N GLY A 85 50 .644 -8 .572 7 .416 1 .00 15 .22 N

ATOM 374 CA GLY A 85 51 .932 -8 .487 6 .750 1 .00 15 .84 C

ATOM 375 C GLY A 85 51 .889 -8 .855 5 .285 1 .00 16 .48 C

ATOM 376 O GLY A 85 51 .273 -9 .851 4 .906 1 .00 16 .92 O

ATOM 377 N GLY A 86 52 .533 -8 .038 4 .460 1 .00 15 .35 N

ATOM 378 CA GLY A 86 52 .582 -8 .309 3 .034 1 .00 17 .54 C

ATOM 379 C GLY A 86 51 .307 -7 .998 2 .277 1 .00 20 .45 C

ATOM 380 O GLY A 86 51 .256 -8 .164 1 .058 1 .00 21 .59 O

ATOM 381 N HIS A 87 50 .271 -7 .559 2 .986 1 .00 14 .88 N

ATOM 382 CA HIS A 87 49 .010 -7 .226 2 .337 1 .00 14 .07 C

ATOM 383 C HIS A 87 48 .889 -5 .715 2 .167 1 .00 16 .32 C

ATOM 384 O HIS A 87 49 .898 -5 .012 2 .158 1 .00 15 .25 O

ATOM 385 CB HIS A 87 47 .843 -7 .784 3 .151 1 .00 18 .94 C

ATOM 386 CG HIS A 87 47 .765 -9 .279 3 .139 1 .00 27 .39 C

ATOM 387 NDl HIS A 87 46 .745 -9 .979 3 .748 1 .00 32 .21 N

ATOM 388 CD2 HIS A 87 48 .579 -10 .210 2 .585 1 .00 31 .04 C

ATOM 389 CEl HIS A 87 46 .932 -11 .275 3 .567 1 .00 30 .28 C

ATOM 390 NE2 HIS A 87 48 .038 -11 .442 2 .865 1 .00 31 .40 N

ATOM 391 N SER A 88 47 .663 -5 .216 2 .028 1 .00 16 .80 N

ATOM 392 CA SER A 88 47 .436 -3 .782 1 .852 1 .00 15 .90 C

ATOM 393 C SER A 88 46 .011 -3 .456 2 .271 1 .00 14 .50 C

ATOM 394 O SER A 88 45 .242 -4 .352 2 .607 1 .00 16 .33 O

ATOM 395 CB SER A 88 47. .612 -3. .383 0, .387 1. .00 16. .04 C

ATOM 396 OG SER A 88 46. .449 -3 .724 -0. .358 1. .00 19 , .36 O

ATOM 397 N ALA A 89 45. .658 -2 .173 2. .230 1. .00 14. .46 N

ATOM 398 CA ALA A 89 44. .315 -1. .741 2. .602 1. .00 15. .56 C

ATOM 399 C ALA A 89 43. .280 -2 , .325 1. .651 1. .00 12. .96 C

ATOM 400 O ALA A 89 42. ,108 -2. .465 2. .005 1. .00 15. .37 O

ATOM 401 CB ALA A 89 44. 229 -0. .210 2. 591 1. 00 13. 65 C

ATOM 402 N LEU A 90 43. 706 -2. .664 0. 440 1. 00 13. 51 N

ATOM 403 CA LEU A 90 42. 781 -3. 228 -0. 541 1. 00 14. 11 C

ATOM 404 C LEU A 90 42. 256 -4. 607 -0. 130 1. 00 17. 34 C

ATOM 405 O LEU A 90 41. 275 -5. 097 -0. 688 1. 00 13. 98 O

ATOM 406 CB LEU A 90 43. 455 286 -1. 916 1. 00 16. 93 C

ATOM 407 CG LEU A 90 43. 812 -1. 884 -2. 427 1. 00 14. 59 C

ATOM 408 CDl LEU A 90 44. 569 -1. 974 -3. 747 1. 00 18. 15 C

ATOM 409 CD2 LEU A 90 42. 533 -1. 078 -2. 596 1. 00 18. 35 C

ATOM 410 N SER A 91 42. 911 -5. 230 0. 848 1. 00 16. 73 N

ATOM 411 CA SER A 91 42. 470 -6. 532 1. 352 1. 00 17. 00 C

ATOM 412 C SER A 91 41. 121 -6. 372 2. 056 1. 00 14. 98 C

ATOM 413 O SER A 91 40. 409 -7. 350 2. 275 1. 00 15. 03 O

ATOM 414 CB SER A 91 43. 492 -7. 101 2. 349 1. 00 16. 36 C

ATOM 415 OG SER A 91 44. 693 -7. 464 1. 684 1. 00 25. 32 O

ATOM 416 N TRP A 92 40. 780 -5. 134 2. 405 1. 00 12. 45 N

ATOM 417 CA TRP A 92 39. 513 -4. 837 3. 084 1. 00 14. 71 C

ATOM 418 C TRP A 92 38. 396 -4. 377 2. 133 1. 00 15. 24 C

ATOM 419 O TRP A 92 37. 303 -4. 009 2. 577 1. 00 15. 17 O

ATOM 420 CB TRP A 92 39. 725 ~ 3 733 4. 130 1. 00 13. 38 C

ATOM 421 CG TRP A 92 40. 726 -4. 073 5. 187 1. 00 11. 92 C

ATOM 422 CDl TRP A 92 42. 028 -3. 671 5. 246 1. 00 13. 66 C

ATOM 423 CD2 TRP A 92 40. 487 -4. 840 6. 369 1. 00 11. 51 C

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# 10691216 v )

ATOM 424 NEl TRP A 92 42.614 -4.133 6.401 1.00 12.06 N

ATOM 425 CE2 TRP A 92 41 .690 -4 .855 7.108 1.00 14 .44 C

ATOM 426 CE3 TRP A 92 39 .369 -5 .515 6.878 1.00 13 .39 C

ATOM 427 CZ2 TRP A 92 41 .809 -5 .521 8.337 1.00 13 .95 C

ATOM 428 C23 TRP A 92 39 .486 -6 .179 8.107 1.00 14 .39 C

ATOM 429 CH2 TRP A 92 40 .699 -6 .173 8.817 1.00 13 .93 C

ATOM 430 N ALA A 93 38 .662 -4 .390 0.834 1.00 15 .61 N

ATOM 431 CA ALA A 93 37 .668 -3 .925 -0.135 1.00 17 .49 C

ATOM 432 C ALA A 93 36 .304 -4 .614 -0.053 1.00 19 .18 C

ATOM 433 O ALA A 93 35 .279 -3 .950 0.128 1.00 16 .64 O

ATOM 434 CB ALA A 93 38 .227 -4 .040 -1.550 1.00 16 .12 C

ATOM 435 N VAL A 94 36 .277 _ tr .937 -0.178 1.00 17 .88 N

ATOM 436 CA VAL A 94 35 .002 -6 .647 -0.133 1.00 18 .64 C

ATOM 437 C VAL A 94 34 .334 -6 .537 1.238 1.00 16 .99 C

ATOM 438 O VAL A 94 33 .109 -6 .462 1.338 1.00 16 .70 O

ATOM 439 CB VAL A 94 35 .170 -8 .132 -0.526 1.00 17 .56 C

ATOM 440 CGl VAL A 94 33 .809 -8 .811 -0.591 1.00 21 .76 C

ATOM 441 CG2 VAL A 94 35 .847 -8 .225 -1.884 1.00 21 .82 C

ATOM 442 N PHE A 95 35 .142 -6 .509 2.290 1.00 17 .05 N

ATOM 443 CA PHE A 95 34 .616 -6 .382 3.642 1.00 14 .67 C

ATOM 444 C PHE A 95 33 .895 -5 .047 3.786 1.00 17 .00 C

ATOM 445 O PHE A 95 32 .838 -4 .960 4.417 1.00 15 .98 O

ATOM 446 CB PHE A 95 35 .753 -6 .431 4.665 1.00 13 .58 C

ATOM 447 CG PHE A 95 35 .363 -5 .918 6.027 1.00 12 .98 C

ATOM 448 CDl PHE A 95 34 .644 -6 .720 6.910 1.00 12 .18 C

ATOM 449 CD2 PHE A 95 35 .686 -4 .613 6.412 1.00 14 .18 C

ATOM 450 CEl PHE A 95 34 .248 -6 .229 8.162 1.00 16 .35 C

ATOM 451 CE2 PHE A 95 35 .296 -4 .112 7.656 1.00 15 .12 C

ATOM 452 CZ PHE A 95 34 .575 -4. .923 8.534 1.00 17, .40 C

ATOM 453 N THR A 96 34 .495 -4. .013 3.205 1.00 17 .47 N

ATOM 454 CA THR A 96 33. .961 -2. .657 3.265 1.00 17. .86 C

ATOM 455 C THR A 96 32. .549 -2. .576 2.702 1.00 17. .34 C

ATOM 456 O THR A 96 31. .667 _ T .980 3.319 1.00 17. .25 O

ATOM 457 CB THR A 96 34. .891 -1. .667 2.512 1.00 17. .90 C

ATOM 458 OGl THR A 96 36. 159 -1. 590 3.187 1.00 17. 94 O

ATOM 459 CG2 THR A 96 34. 280 -0. 274 2.468 1.00 16. 30 C

ATOM 460 N ALA A 97 32. 335 -3. 178 1.536 1.00 19. 75 N

ATOM 461 CA ALA A 97 31. 019 _ 2 167 0.905 1.00 21. 84 C

ATOM 462 C ALA A 97 30. 024 -3. 923 1.776 1.00 21. 63 C

ATOM 463 O ALA A 97 28. 876 -3. 505 1.934 1.00 21. 71 O

ATOM 464 CB ALA A 97 31. 094 -3. 805 -0.485 1.00 21. 02 C

ATOM 465 N ALA A 98 30. 474 -5. 034 2.344 1.00 19. 20 N

ATOM 466 CA ALA A 98 29. 627 -5. 848 3.200 1.00 19. 89 C

ATOM 467 C ALA A 98 29. 221 -5. 132 4.491 1.00 18. 39 C

ATOM 468 O ALA A 98 28. 042 -5. 126 4.845 1.00 23. 28 O

ATOM 469 CB ALA A 98 30. 330 -7. 166 3.533 1.00 16. 92 C

ATOM 470 N ILE A 99 30. 174 -4. 514 5.188 1.00 17. 25 N

ATOM 471 CA ILE A 99 29. 843 -3. 840 6.447 1.00 16. 23 C

ATOM 472 C ILE A 99 28. 992 -2. 581 6.232 1.00 18. 92 C

ATOM 473 O ILE A 99 28. 064 -2. 305 7.003 1.00 20. 37 O

ATOM 474 CB ILE A 99 31. 131 -3. 500 7.273 1.00 16. 19 C

ATOM 475 CGl ILE A 99 30. 744 -3. 013 8.673 1.00 20. 91 C

ATOM 476 CG2 ILE A 99 31. 958 -2. 424 6.578 1.00 13. 46 C

ATOM 477 CDl ILE A 99 30. 109 -4. 075 9.546 1.00 22. 10 C

ATOM 478 N ILE A 100 29. 294 -1. 830 5.177 1.00 19. 39 N

ATOM 479 CA ILE A 100 28. 540 -0. 622 4.854 1.00 22. 82 C

ATOM 480 C ILE A 100 27. 059 -0. 940 4.616 1.00 23. 64 C

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ATOM 481 O ILE; A ioo 26.186 -0.112 4.887 1.00 22.19 O

ATOM 482 CB ILE A 100 29 .101 0 .069 3 .579 1 .00 26 .63 C

ATOM 483 CGl ILE A 100 30 .468 0 .691 3 .873 1 .00 25 .14 C

ATOM 484 CG2 ILE A 100 28 .116 1 .119 3 .073 1 .00 26 .45 C

ATOM 485 CDl ILE A 100 30 .439 1 .807 4 .875 1 .00 33 .00 C

ATOM 486 N SER A 101 26 .777 — 2 .138 4 .116 1 .00 20 .74 N

ATOM 487 CA SER A 101 25 .402 -2 .528 3 .842 1 .00 23 .15 C

ATOM 488 C SER A 101 24 .666 -3 .015 5 .086 1 .00 23 .36 C

ATOM 489 O SER A 101 23 .459 -3 .244 5 .042 1 .00 23 .81 O

ATOM 490 CB SER A 101 25 .362 -3 .623 2 .772 1 .00 27 .39 C

ATOM 491 OG SER A 101 25 .783 -4 .873 3 .294 1 .00 28 .19 O

ATOM 492 N ARG A 102 25 .386 -3 .159 6 .196 1 .00 23 .24 N

ATOM 493 CA ARG A 102 24 .782 -3 .646 7 .435 1 .00 22 .62 C

ATOM 494 C ARG A 102 24 .609 -2 .578 8 .509 1 .00 22 .41 C

ATOM 495 O ARG A 102 23 .633 _ 2 .593 9 .249 1 .00 24 .35 O

ATOM 496 CB ARG A 102 25 .621 -4 .788 8 .005 1 .00 23 .58 C

ATOM 497 CG ARG A 102 25 .933 -5 .877 7 .007 1 .00 27 .42 C

ATOM 498 CD ARG A 102 26 .825 -6 .934 7 .627 1 .00 31 .55 C

ATOM 499 NE ARG A 102 26 .038 -7 .985 8 .251 1 .00 41 .62 N

ATOM 500 CZ ARG A 102 25 .563 -9 .037 7 .600 1 .00 40 .96 C

ATOM 501 NHl ARG A 102 25 .808 -9 .178 6 .307 1 .00 43 .94 N

ATOM 502 NH2 ARG A 102 24 .831 -9 .938 8 .238 1 .00 45 .08 N

ATOM 503 N VAL A 103 25 .570 -1 .666 8 .613 1 .00 21 .74 N

ATOM 504 CA VAL A 103 25 .496 -0 .606 9 .612 1 .00 19 .51 C

ATOM 505 C VAL A 103 25 .916 0 .724 9 .015 1 .00 20 .12 C

ATOM 506 O VAL A 103 26 .676 0 .766 8 .045 1 .00 20 .27 O

ATOM 507 CB VAL A 103 26 .418 -0 .890 10 .827 1 .00 21 .02 C

ATOM 508 CGl VAL A 103 25 .955 -2 .138 11 .549 1. .00 19 .96 C

ATOM 509 CG2 VAL A 103 27 .868 -1 .052 10 .362 1, .00 19 .70 C

ATOM 510 N GLN A 104 25. .410 1 .808 9. .596 1. .00 17. .40 N

ATOM 511 CA GLN A 104 25. .752 3. .146 9. .140 1. .00 20. .71 C

ATOM 512 C GLN A 104 27. .133 3. .429 9. .707 1. .00 17. .94 C

ATOM 513 O GLN A 104 27. .292 3. .566 10. .919 1. 00 15. .90 O

ATOM 514 CB GLN A 104 24. .749 4 , .165 9. .684 1. 00 26. .52 C

ATOM 515 CG GLN A 104 24. 933 5. 578 9. 151 1. 00 35. 97 C

ATOM 516 CD GLN A 104 24. 607 5. 685 7. 672 1. 00 45. 56 C

ATOM 517 OEl GLN A 104 23. 554 5. .224 7. 221 1. 00 49. 23 O

ATOM 518 NE2 GLN A 104 25. 504 6. 302 6. 908 1. 00 47. 64 N

ATOM 519 N CYS A 105 28. 134 3. 510 8. 837 1. 00 16. 49 N

ATOM 520 CA CYS A 105 29. 492 3. 756 9. 299 1. 00 16. 92 C

ATOM 521 C CYS A 105 30. 377 4. 300 8. 201 1. 00 17. 62 C

ATOM 522 O CYS A 105 29. 959 4. 418 7. 049 1. 00 18. 81 O

ATOM 523 CB CYS A 105 30. 110 2. 459 9. 825 1. 00 18. 03 C

ATOM 524 SG CYS A 105 30. 377 1. 190 8. 546 1. 00 21. 68 S

ATOM 525 N ARG A 106 31. 603 4. 641 8. 583 1. 00 15. 64 N

ATOM 526 CA ARG A 106 32. 606 5. 146 7. 657 1. 00 16. 90 C

ATOM 527 C ARG A 106 33. 762 4. 162 7. 703 1. 00 17. 48 C

ATOM 528 O ARG A 106 33. 913 3. 405 8. 663 1. 00 16. 88 O

ATOM 529 CB ARG A 106 33. 092 6. 545 8. 069 00 15. 73 C

ATOM 530 CG ARG A 106 32. 135 7. 673 7. 666 1. 00 18. 66 C

ATOM 531 CD ARG A 106 32. 535 9. 017 8. 284 1. 00 15. 95 C

ATOM 532 NE ARG A 106 32. 109 9. 115 9. 680 1. 00 17. 87 N

ATOM 533 CZ ARG A 106 32. 316 10. 171 10. 461 1. 00 17. 57 C

ATOM 534 NHl ARG A 106 32. 951 11. 240 9. 999 1. 00 15. 67 N

ATOM 535 NH2 ARG A 106 31. 879 10. 160 11. 712 1. 00 22. 56 N

ATOM 536 N ILE A 107 34. 571 4. 170 6. 656 1. 00 20. 27 N

ATOM 537 CA ILE A 107 35. 707 3. 272 6. 575 1. 00 18. 86 C

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ATOM 538 C ILE A 107 36.966 4.029 6.185 1.00 16.86 C

ATOM 539 O ILE A 107 36 .940 4.910 5 .327 1 .00 15 .74 O

ATOM 540 CB ILE A 107 35 .501 2.178 5 .486 1 .00 20 .39 C

ATOM 541 CGl ILE A 107 34 .218 1.378 5 .745 1 .00 24 .65 C

ATOM 542 CG2 ILE A 107 36 .724 1.263 5 .433 1 .00 22 .55 C

ATOM 543 CDl ILE A 107 34 .266 0.472 6 .950 1 .00 23 .53 C

ATOM 544 N VAL A 108 38 .064 3.699 6 .846 1 .00 14 .40 N

ATOM 545 CA VAL A 108 39 .355 4.264 6 .488 1 .00 13 .87 C

ATOM 546 C VAL A 108 40 .298 3.061 6 .533 1 .00 14 .20 C

ATOM 547 O VAL A 108 40 .654 2.588 7 .609 1 .00 14 .76 O

ATOM 548 CB VAL A 108 39 .830 5.363 7 .462 1 .00 13 .67 C

ATOM 549 CGl VAL A 108 41 .234 5.834 7 .065 1 .00 13 .75 C

ATOM 550 CG2 VAL A 108 38 .873 6.563 7 .414 1 .00 12 .02 C

ATOM 551 N ALA A 109 40 .639 2.537 5 .354 1 .00 14 .51 N

ATOM 552 CA ALA A 109 41 .552 1.399 .222 1 .00 15 .60 C

ATOM 553 C ALA A 109 42 .931 1.975 4 .921 1 .00 14 .81 C

ATOM 554 O ALA A 109 43 .129 2.635 3 .894 1 .00 15 .27 O

ATOM 555 CB ALA A 109 41 .097 0.484 4 .089 1 .00 13 .34 C

ATOM 556 N LEU A 110 43 .878 1.712 5 .813 1 .00 13 .25 N

ATOM 557 CA LEU A 110 45 .239 2.242 5 .712 1 .00 14 .57 C

ATOM 558 C LEU A 110 46 .350 1.299 5 .237 1 .00 16 .87 C

ATOM 559 O LEU A 110 46 .477 0.177 5 .732 1 .00 14 .00 O

ATOM 560 CB LEU A 110 45 .638 2.802 7 .086 1 .00 14 .39 C

ATOM 561 CG LEU A 110 47 .068 3.283 7 .338 1 .00 16 .68 C

ATOM 562 CDl LEU A 110 47 .361 4.513 6 .493 1 .00 16 .15 C

ATOM 563 CD2 LEU A 110 47 .235 3.620 8 .817 1 .00 16 .09 C

ATOM 564 N ASP A 111 47 .151 1.767 4 .280 1 .00 16 .65 N

ATOM 565 CA ASP A 111 48. .307 1.004 3 .803 1 .00 16 .41 C

ATOM 566 C ASP A 111 49. .380 1.323 4 .830 1 .00 14 .94 C

ATOM 567 O ASP A 111 49. .809 2.470 4 .944 1. .00 16. .64 O

ATOM 568 CB ASP A 111 48. .811 1.497 2 .442 1. .00 17. .13 C

ATOM 569 CG ASP A 111 48. .033 0.921 1 .283 1. .00 18. .22 C

ATOM 570 ODl ASP A 111 47. .278 -0.046 1. .494 1. .00 17. .56 O

ATOM 571 OD2 ASP A 111 48. .196 1.434 0. .152 1. .00 19. .22 O

ATOM 572 N LEU A 112 49. 804 0.326 5. .591 1. .00 14. 27 N

ATOM 573 CA LEU A 112 50. 817 0.563 6. .601 1. 00 15. 35 C

ATOM 574 C LEU A 112 52. 184 0.801 5. .963 1. 00 16. 26 C

ATOM 575 O LEU A 112 52. 370 0.592 4. 766 1. 00 17. 33 O

ATOM 576 CB LEU A 112 50. 867 -0.620 7. 571 1. 00 16. 09 C

ATOM 577 CG LEU A 112 49. 587 -0.788 8. 395 1. 00 16. 55 C

ATOM 578 CDl LEU A 112 49. 535 -2.174 9. 023 1. 00 13. 54 C

ATOM 579 CD2 LEU A 112 49. 531 0.309 9. 461 1. 00 17. 88 C

ATOM 580 N ARG A 113 53. 122 1.277 6. 769 1. 00 15. 99 N

ATOM 581 CA ARG A 113 54. 481 1.553 6. 323 1. 00 19. 30 C

ATOM 582 C ARG A 113 55. 025 0.389 5. 482 1. 00 20. 64 C

ATOM 583 O ARG A 113 54. 870 -0.777 5. 850 1. 00 19. 59 O

ATOM 584 CB ARG A 113 55. 367 1.788 7. 557 1. 00 17. 93 C

ATOM 585 CG ARG A 113 56. 850 1.939 7. 296 1. 00 25. 89 C

ATOM 586 CD ARG A 113 57. 591 2.294 8. 592 1. 00 26. 06 C

ATOM 587 NE ARG A 113 57. 174 3.596 9. 112 1. 00 24. 73 N

ATOM 588 CZ ARG A 113 57. 940 4.683 9. 127 1. 00 27. 38 C

ATOM 589 NHl ARG A 113 59. 186 4.641 8. 653 1. 00 22. 36 N

ATOM 590 NH2 ARG A 113 57. 454 5.821 9. 607 1. 00 26. 74 N

ATOM 591 N SER A 114 55. 644 0.728 4. 354 1. 00 19. 79 N

ATOM 592 CA SER A 114 56. 238 -0.239 3. 428 1. 00 22. 49 C

ATOM 593 C SER A 114 55. 263 -1.193 2. 748 1. 00 22. 79 C

ATOM 594 O SER . A 114 55. 674 -2.212 2. 191 1. 00 21. 77 O

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# IO6912 I 6 vl

ATOM 595 CB SER'. A 114 57.317 -1.053 4.140 1.00 23.99 C

ATOM 596 OG SER . A 114 58 .308 -0.194 4 .663 1.00 28 .32 O

ATOM 597 N HIS A 115 53 .976 -0.865 2 .788 1.00 17 .94 N

ATOM 598 CA HIS A 115 52 .965 -1.705 2 .157 1.00 16 .51 C

ATOM 599 C HIS A 115 52 .122 -0.874 1 .205 1.00 17 .14 C

ATOM 600 O HIS A 115 52 .030 0.350 1 .347 1.00 21 .41 O

ATOM 601 CB HIS A 115 52 .046 -2.341 3 .208 1.00 16 .90 C

ATOM 602 CG HIS A 115 52 .704 -3.405 4 .032 1.00 14 .40 C

ATOM 603 N01 HIS A 115 53 .636 -3.123 5 .007 1.00 14 .85 N

ATOM 604 CD2 HIS A 115 52 .566 -4.752 4 .021 1.00 12 .32 C

ATOM 605 CEl HIS A 115 54 .043 -4.250 5 .564 1.00 15 .05 C

ATOM 606 NE2 HIS A 115 53 .409 -5.253 4 .984 1.00 15 .51 N

ATOM 607 N GLY A 116 51 .501 -1.543 0 .241 1.00 16 .83 N

ATOM 608 CA GLY A 116 50 .654 -0.848 -0 .713 1.00 18 .77 C

ATOM 609 C GLY A 116 51 .298 0.369 -1 .354 1.00 17 .87 C

ATOM 610 O GLY A 116 52 .442 0.311 -1 .801 1.00 17 .79 O

ATOM 611 N GLU A 117 50 .564 1.480 -1 .382 1.00 20 .44 N

ATOM 612 CA GLU A 117 51 .049 2.714 -1 .990 1.00 19 .63 C

ATOM 613 C GLU A 117 51 .633 3.725 -1 .003 1.00 20 .15 C

ATOM 614 O GLU A 117 51 .900 4.869 -1 .367 1.00 18 .55 O

ATOM 615 CB GLU A 117 49 .917 3.383 -2 .777 1.00 23 .47 C

ATOM 616 CG GLU A 117 49 .407 2.594 -3 .983 1.00 29 .04 C

ATOM 617 CD GLU A 117 50 .449 2.444 -5 .079 1.00 34 .14 C

ATOM 618 OEl GLU A 117 51 .240 3.386 -5 .286 1.00 31 .01 O

ATOM 619 OE2 GLU A 117 50 .469 1.388 -5 .747 1.00 38 .27 O

ATOM 620 N THR A 118 51 .833 3.315 0 .244 1.00 19 .24 N

ATOM 621 CA THR A 118 52 .393 4.220 1 .245 1.00 19 .66 C

ATOM 622 C THR A 118 53 .891 4.413 1 .003 1.00 22 .22 C

ATOM 623 O THR A 118 54 .603 3.459 0. .697 1.00 21 .02 O

ATOM 624 CB THR A 118 52 .127 3.670 2. .658 1.00 18 .29 C

ATOM 625 OGl THR A 118 50. .774 3.983 3. .027 1.00 16. .35 O

ATOM 626 CG2 THR A 118 53. .093 4.246 3. .664 1.00 15. .97 C

ATOM 627 N LYS A 119 54. .358 5.654 1. .131 1.00 21. .87 N

ATOM 628 CA LYS A 119 55. .766 5.982 0. .898 1.00 22. .93 C

ATOM 629 C LYS A 119 56. 406 6.679 2. 098 1.00 23. 46 C

ATOM 630 O LYS A 119 56. 120 7.850 2. 362 1.00 21. 76 O

ATOM 631 CB LYS A 119 55. 892 6.906 -0. 317 1.00 25. 48 C

ATOM 632 CG LYS A 119 55. 142 6.437 -1. 551 1.00 29. 17 C

ATOM 633 CD LYS A 119 55. 686 5.109 -2. 056 1.00 32. 86 C

ATOM 634 CE LYS A 119 54. 934 4.646 _ 2 296 1.00 36. 54 C

ATOM 635 NZ LYS A 119 55. 342 3.284 -3. 725 1.00 36. 39 N

ATOM 636 N VAL A 120 57. 270 5.966 2. 816 1.00 22. 14 N

ATOM 637 CA VAL A 120 57. 955 6.535 3. 976 1.00 23. 27 C

ATOM 638 C VAL A 120 59. 443 6.694 3. 671 1.00 26. 40 C

ATOM 639 O VAL A 120 59. 975 6.046 2. 765 1.00 25. 34 O

ATOM 640 CB VAL A 120 57. 808 5.636 5. 221 1.00 23. 46 C

ATOM 641 CGl VAL A 120 56. 331 5.396 5. 513 1.00 19. 68 C

ATOM 642 CG2 VAL A 120 58. 546 4.315 5. 002 1.00 25. 86 C

ATOM 643 N LYS A 121 60. 122 7.545 4. 432 1.00 27. 85 N

ATOM 644 CA LYS A 121 61. 543 7.764 4. 199 1.00 33. 03 C

ATOM 645 C LYS A 121 62. 390 6.596 4. 712 1.00 32. 36 C

ATOM 646 O LYS A 121 63. 433 6.290 4. 140 1.00 33. 67 O

ATOM 647 CB LYS A 121 61. 988 9.082 4. 850 1.00 37. 98 C

ATOM 648 CG LYS A 121 62. 711 8.933 6. 180 1.00 46. 79 C

ATOM 649 CD LYS A 121 64. 188 8.580 5. 984 1.00 54. 25 C

ATOM 650 CE LYS A 121 64. 881 8.289 7. 311 1.00 56. 45 C

ATOM 651 NZ LYS A 121 66. 333 7.999 7. 127 1.00 60. 59 N

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« 10691216 vl

ATOM 652 N ASN A 122 61.944 5.942 5.781 1.00 31.59 N

ATOM 653 CA ASN A 122 62 .689 4 .818 6 .339 1.00 32 .03 C

ATOM 654 C ASN A 122 61 .822 3 .563 6 .347 1.00 30 .59 C

ATOM 655 O ASN A 122 61 .335 3 .129 7 .391 1.00 27 .09 O

ATOM 656 CB ASN A 122 63 .158 5 .154 7 .753 1.00 35 .19 C

ATOM 657 CG ASN A 122 64 .031 4 .074 8 .346 1.00 41 .23 C

ATOM 658 OD3 . ASN A 122 64 .555 3 .215 7 .628 1.00 45 .50 O

ATOM 659 ND2 : ASN A 122 64 .208 4 .114 9 .665 1.00 41 .49 N

ATOM 660 N PRO A 123 61 .638 2 .953 5 .170 1.00 28 .38 N

ATOM 661 CA PRO A 123 60 .831 1 .746 4 .971 1.00 29 .19 C

ATOM 662 C PRO A 123 61 .313 0 .473 5 .661 1.00 29 .16 C

ATOM 663 O PRO A 123 60 .591 -0 .522 5 .700 1.00 29 .24 O

ATOM 664 CB PRO A 123 60 .808 1 .609 3 .454 1.00 29 .53 C

ATOM 665 CG PRO A 123 62 .161 2 .119 3 .069 1.00 30 .05 C

ATOM 666 CD PRO A 123 62 .275 3 .365 3 .906 1.00 29 .80 C

ATOM 667 N GLU A 124 62 .520 0 .500 6 .214 1.00 29 .09 N

ATOM 668 CA GLU A 124 63 .063 -0 .678 6 .882 1.00 29 .07 C

ATOM 669 C GLU A 124 62 .557 -0 .822 8 .316 1.00 28 .09 C

ATOM 670 O GLU A 124 62 .476 -1 .932 8 .847 1.00 23 .75 O

ATOM 671 CB GLU A 124 64 .592 -0 .615 6 .872 1.00 32 .56 C

ATOM 672 CG GLU A 124 65 .296 -1 .837 7 .451 1.00 44 .00 C

ATOM 673 CD GLU A 124 65 .257 -1 .886 8 .970 1.00 48 .21 C

ATOM 674 OEl GLU A 124 65 .545 -0 .846 9 .600 1.00 51 .97 O

ATOM 675 OE2 GLU A 124 64 .950 -2 .962 9 .531 1.00 48 .81 O

ATOM 676 N ASP A 125 62 .201 0 .300 8 .928 1.00 24 .64 N

ATOM 677 CA ASP A 125 61 .728 0 .313 10 .309 1.00 25 .01 C

ATOM 678 C ASP A 125 60 .267 -0 .108 10 .496 1.00 24 .87 C

ATOM 679 O ASP A 125 59 .362 0 .721 10 .447 1.00 23 .97 O

ATOM 680 CB ASP A 125 61 .950 1. .710 10. .901 1.00 22 .77 C

ATOM 681 CG ASP A 125 61 .418 1, .846 12. .316 1.00 25 .58 C

ATOM 682 ODl ASP A 125 61. .176 0. .816 12. .982 1.00 26. .75 O

ATOM 683 OD2 ASP A 125 61. .256 2. .996 12. .770 1.00 26. .71 O

ATOM 684 N LEU A 126 60. .038 -1. .400 10. 716 1.00 22. .44 N

ATOM 685 CA LEU A 126 58. .679 -1. .883 10. 938 1.00 22. ,87 C

ATOM 686 C LEU A 126 58. 451 -2. 289 12. 395 1.00 23. 25 C

ATOM 687 O LEU A 126 57. 716 -3. 237 12. 685 1.00 21. 64 O

ATOM 688 CB LEU A 126 58. 365 -3. 052 10. 002 1.00 27. 05 C

ATOM 689 CG LEU A 126 57. 572 -2. 671 8. 741 1.00 33. 52 C

ATOM 690 CDl LEU A 126 58. 334 -1. 635 7. 944 1.00 35. 30 C

ATOM 691 CD2 LEU A 126 57. 312 _ ^ 905 7. 893 1.00 32. 86 C

ATOM 692 N SER A 127 59. 080 -1. 562 13. 313 1.00 20. 54 N

ATOM 693 CA SER A 127 58. 927 835 14. 738 1.00 20. 80 C

ATOM 694 C SER A 127 57. 490 -1. 499 15. 142 1.00 23. 21 C

ATOM 695 O SER A 127 56. 861 -0. 624 14. 544 1.00 19. 57 O

ATOM 696 CB SER A 127 59. 901 -0. 974 15. 550 1.00 21. 93 C

ATOM 697 OG SER A 127 59. 617 0. 406 15. 386 1.00 21. 08 O

ATOM 698 N ALA A 128 56. 967 -2. 193 16. 146 1.00 21. 78 N

ATOM 699 CA ALA A 128 55. 604 -1. 935 16. 597 1.00 22. 51 C

ATOM 700 C ALA A 128 55. 463 -0. 455 16. 950 1.00 22. 66 C

ATOM 701 O ALA A 128 54. 488 0. 203 16. 590 1.00 18. 71 O

ATOM 702 CB ALA A 128 55. 283 -2. 792 17. 817 1.00 22. 86 C

ATOM 703 N GLU A 129 56. 461 0. 056 17. 655 1.00 21. 49 N

ATOM 704 CA GLU A 129 56. 485 1. 443 18. 089 1.00 23. 38 C

ATOM 705 C GLU . A 129 56. 285 2. 427 16. 930 1.00 21. 47 C

ATOM 706 O GLU . A 129 55. 415 3. 299 16. 971 1.00 19. 37 O

ATOM 707 CB GLU , A . 129 57. 821 1. 731 18. 778 1.00 30. 80 C

ATOM 708 CG GLU . A : 129 58. 085 0. 940 20. 072 1.00 36. 96 C

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ATOM 709 CD GLD' A. 129 58.038 -0.586 19'.907 1.00 42.22 C

ATOM 710 OEl . GLU A 129 58 .703 -1 .137 18 .990 1 .00 28 .12 O

ATOM 711 OE2 . GLU A 129 57 .335 -1 .236 20 .720 1 .00 41 .15 O

ATOM 712 N THR A 130 57 .097 2 .284 15 .894 1 .00 20 .54 N

ATOM 713 CA THR A 130 57 .017 3 .177 14 .748 1 .00 20 .81 C

ATOM 714 C THR A 130 55 .697 3 .056 13 .994 1 .00 19 .05 C

ATOM 715 O THR A 130 55 .078 4 .063 13 .652 1 .00 18 .54 O

ATOM 716 CB THR A 130 58 .201 2 .920 13 .786 1 .00 22 .03 C

ATOM 717 OGl THR A 130 59 .424 3 .238 14 .459 1 .00 22 .20 O

ATOM 718 CG2 THR A 130 58 .083 3 .779 12 .536 1 .00 23 .68 C

ATOM 719 N MET A 131 55 .261 1 .824 13 .750 1 .00 15 .95 N

ATOM 720 CA MET A 131 54 .017 1 .594 13 .031 1 .00 16 .89 C

ATOM 721 C MET A 131 52 .807 2 .137 13 .794 1 .00 17 .15 C

ATOM 722 O MET A 131 51 .900 2 .707 13 .190 1 .00 18 .70 O

ATOM 723 CB MET A 131 53 .845 0 .095 12 .742 1 .00 18 .80 C

ATOM 724 CG MET A 131 54 .930 -0 .474 11 .810 1 .00 19 .73 C

ATOM 725 SD MET A 131 54 .659 -2 .213 11 .356 1 .00 23 .66 S

ATOM 726 CE MET A 131 53 .448 -2 .010 10 .072 1 .00 13 .32 C

ATOM 727 N ALA A 132 52 .787 1 .970 15 .115 1 .00 16 .11 N

ATOM 728 CA ALA A 132 51 .665 2 .480 15 .902 1 .00 17 .86 C

ATOM 729 C ALA A 132 51 .662 4 .008 15 .815 1 .00 17 .53 C

ATOM 730 O ALA A 132 50 .613 4 .632 15 .674 1 .00 17 .64 O

ATOM 731 CB ALA A 132 51 .786 2 .031 17 .357 1 .00 18 .40 C

ATOM 732 N LYS A 133 52 .851 4 .597 15 .893 1 .00 16 .62 N

ATOM 733 CA LYS A 133 53 .014 6 .047 15 .805 1 .00 16 .89 C

ATOM 734 C LYS A 133 52 .458 6 .533 14 .458 1 .00 16 .16 C

ATOM 735 O LYS A 133 51 .772 7 .561 14 .392 1 .00 15 .82 O

ATOM 736 CB LYS A 133 54 .502 6 .401 15 .951 1 .00 17 .44 C

ATOM 737 CG LYS A 133 54 .863 7. .868 15 .736 1. .00 30 .01 C

ATOM 738 CD LYS A 133 54 .884 8. .674 17 .034 1. .00 34 .29 C

ATOM 739 CE LYS A 133 53 .491 8. .820 17. .626 1. .00 39 .05 C

ATOM 740 NZ LYS A 133 53. .394 9. .769 18. ,777 1. .00 33, .22 N

ATOM 741 N ASP A 134 52, .737 5. .783 13. .392 1. 00 14. .44 N

ATOM 742 CA ASP A 134 52. .235 6. .125 12. .061 1. 00 16. .17 C

ATOM 743 C ASP A 134 50. .710 6. 233 12. 077 1. 00 16. 87 C

ATOM 744 O ASP A 134 50. 138 7. 207 11. 582 1. 00 16. 15 O

ATOM 745 CB ASP A 134 52. 629 5. 061 11. 021 1. 00 19. 21 C

ATOM 746 CG ASP A 134 54. 121 5. 061 10. 696 1. 00 21. 28 C

ATOM 747 ODl ASP A 134 54. 786 6. 099 10. 900 1. 00 20. 40 O

ATOM 748 OD2 ASP A 134 54. 625 4. 018 10. 216 1. 00 20. 37 O

ATOM 749 N VAL A 135 50. 051 5. 215 12. 625 1. 00 13. 61 N

ATOM 750 CA VAL A 135 48. 595 5. 209 12. 694 1. 00 13. 99 C

ATOM 751 C VAL A 135 48. 090 6. 470 13. 416 1. 00 15. 22 C

ATOM 752 O VAL A 135 47. 180 7. 145 12. 937 1. 00 15. 49 O

ATOM 753 CB VAL A 135 48. 086 3. 946 13. 425 1. 00 16. 07 C

ATOM 754 CGl VAL A 135 46. 555 3. 964 13. 515 1. 00 12. 82 C

ATOM 755 CG2 VAL A 135 48. 555 2. 695 12. 671 1. 00 13. 26 C

ATOM 756 N GLY A 136 48. 687 6. 785 14. 560 1. 00 15. 02 N

ATOM 757 CA GLY A 136 48. 271 7. 970 15. 296 1. 00 18. 63 C

ATOM 758 C GLY A 136 48. 496 9. 232 14. 476 1. 00 16. 49 C

ATOM 759 O GLY A 136 47. 634 10. 116 14. 416 1. 00 17. 55 O

ATOM 760 N ASN A 137 49. 660 9. 316 13. 840 1. 00 16. 58 N

ATOM 761 CA ASN A 137 50. 003 10. 470 13. 012 1. 00 19. 78 C

ATOM 762 C ASN A 137 49. 031 10. 634 11. 854 1. 00 17. 81 C

ATOM 763 O ASN A 137 48. 665 11. 749 11. 492 1. 00 17. 37 O

ATOM 764 CB ASN . A 137 51. 420 10. 332 12. 445 1. 00 19. 08 C

ATOM 765 CG ASN . A 137 52. 490 10. 526 13. 493 1. oo : 22. 27 C

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^• #10691216 v!

ATOM 766 ODl. ASN A 137 52.229 11.049 14.574 1.00 22.31 O

ATOM 767 ND2 ASN A 137 53 .713 10 .120 13 .170 1 .00 18 .38 N

ATOM 768 N VAL A 138 48 .620 9 .519 11 .260 1 .00 16 .34 N

ATOM 769 CA VAL A 138 47 .684 9 .581 10 .148 1 .00 16 .39 C

ATOM 770 C VAL A 138 46 .335 10 .141 10 .602 1 .00 15 .96 C

ATOM 771 O VAL A 138 45 .774 11 .018 9 .948 1 .00 16 .42 O

ATOM 772 CB VAL A 138 47 .480 8 .191 9 .505 1 .00 16 .09 C

ATOM 773 CGl VAL A 138 46 .263 8 .207 8 .591 1 .00 14 .79 C

ATOM 774 CG2 VAL A 138 48 .726 7 .811 8 .703 1 .00 15 .29 C

ATOM 775 N VAL A 139 45 .816 9 .636 11 .717 1 .00 15 .07 N

ATOM 776 CA VAL A 139 44 .531 10 .116 12 .234 1 .00 13 .85 C

ATOM 111 C VAL A 139 44 .623 11 .610 12 .544 1 .00 16 .36 C

ATOM 778 O VAL A 139 43 .698 12 .375 12 .268 1 .00 16 .20 O

ATOM 779 CB VAL A 139 44 .130 9 .354 13 .520 1 .00 14 .99 C

ATOM 780 CGl VAL A 139 42 .916 10 .023 14 .185 1 .00 15 .39 C

ATOM 781 CG2 VAL A 139 43 .796 7 .898 13 .171 1 .00 17 .30 C

ATOM 782 N GLU A 140 45 .748 12 .019 13 .117 1 .00 16 .03 N

ATOM 783 CA GLU A 140 45 .960 13 .417 13 .459 1 .00 18 .64 C

ATOM 784 C GLU A 140 45 .943 14 .293 12 .209 1 .00 19 .28 C

ATOM 785 O GLU A 140 45 .319 15 .352 12 .187 1 .00 19 .34 O

ATOM 786 CB GLU A 140 47 .296 13 .571 14 .186 1 .00 21 .19 C

ATOM 787 CG GLU A 140 47 .652 14 .999 14 .539 1 .00 31 .19 C

ATOM 788 CD GLU A 140 48 .831 15 .074 15 .486 1 .00 40 .04 C

ATOM 789 OEl GLU A 140 49 .876 14 .440 15 .201 1 .00 46 .79 O

ATOM 790 OE2 GLU A 140 48 .716 15 .771 16 .515 1 .00 45 .39 O

ATOM 791 N ALA A 141 46 .626 13 .843 11 .163 1 .00 18 .52 N

ATOM 792 CA ALA A 141 46 .684 14 .603 9 .919 1 .00 18 .24 C

ATOM 793 C ALA A 141 45, .345 14 , .646 9 .195 .00 18 .01 C

ATOM 794 O ALA A 141 44. .984 15. .658 8 .600 1 .00 15 .85 O

ATOM 795 CB ALA A 141 47. .748 14. .017 9 .002 1 .00 17 .64 C

ATOM 796 N MET A 142 44. .602 13. .549 9 .247 1, .00 17. .45 N

ATOM 797 CA MET A 142 43. .317 13. .480 8 .565 1. .00 17. .77 C

ATOM 798 C MET A 142 42. 207 14. 314 9. .180 1. .00 18. .24 C

ATOM 799 O MET A 142 41. .384 14. 872 8. .457 1. .00 16. .13 O

ATOM 800 CB MET A 142 42. 820 12. 031 8. .498 1. 00 18. 63 C

ATOM 801 CG MET A 142 43. 577 11. 129 7 , ,536 1. 00 16. 24 C

ATOM 802 SD MET A 142 42. 836 9. 485 7. 504 1. 00 18. 13 S

ATOM 803 CE MET A 142 41. 300 9. 835 6. 693 1. 00 20. 76 C

ATOM 804 N TYR A 143 42. 181 14. 403 10. 507 1. 00 16. 78 N

ATOM 805 CA TYR A 143 41. 103 15. 118 11. 189 1. 00 20. 30 C

ATOM 806 C TYR A 143 41. 507 16. 249 12. 122 1. 00 19. 68 C

ATOM 807 O TYR A 143 40. 645 16. 967 12. 630 1. 00 19. 22 O

ATOM 808 CB TYR A 143 40. 271 14. 120 11. 995 1. 00 19. 03 C

ATOM 809 CG TYR A 143 39. 901 12. 866 11. 240 1. 00 17. 81 C

ATOM 810 CDl TYR A 143 38. 971 12. 900 10. 202 1. 00 19. 04 C

ATOM 811 CD2 TYR A 143 40. 447 11. 636 11. 596 1. 00 17. 85 C

ATOM 812 CEl TYR A 143 38. 587 11. 732 9. 542 1. 00 18. 53 C

ATOM 813 CE2 TYR A 143 40. 072 10. 465 10. 943 1. 00 17. 78 C

ATOM 814 CZ TYR A 143 39. 141 10. 520 9. 920 1. 00 16. 45 C

ATOM 815 OH TYR A 143 38. 756 9. 361 9. 285 1. 00 18. 91 O

ATOM 816 N GLY A 144 42. 801 16. 395 12. 370 1. 00 17. 72 N

ATOM 817 CA GLY A 144 43. 250 17. 450 13. 255 1. 00 24. 51 C

ATOM 818 C GLY A 144 42. 694 17. 306 14. 659 1. 00 29. 99 C

ATOM 819 O GLY . A 144 42. 811 16. 246 15. 276 1. 00 29. 28 O

ATOM 820 N ASP . A 145 42. 067 18. 371 15. 155 1. 00 33. 36 N

ATOM 821 CA ASP . A 145 41. 508 18. 380 16. 505 1. 00 36. 16 C

ATOM 822 C ASP . A 145 40. 063 17. 897 16. 597 1. 00 34. 84 C

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ATOM 823 O ASP ¹ A 145 39.500 17.834 17.687 1.00 32.16 O

ATOM 824 CB ASP ¹ A 145 41 .601 19 .790 17 .104 1 .00 40 .41 C

ATOM 825 CG ASP A 145 43 .033 20 .282 17 .221 1 .00 45 .06 C

ATOM 826 ODl ASP A 145 43 .834 19 .630 17 .928 1 .00 47 .90 O

ATOM 827 OD2 ASP A 145 43 .356 21 .322 16 .605 1 .00 45 .98 O

ATOM 828 N LEU A 146 39 .455 17 .557 15 .467 1 .00 30 .84 N

ATOM 829 CA LEU A 146 38 .075 17 .093 15 .497 1 .00 29 .36 C

ATOM 830 C LEU A 146 37 .910 15 .724 14 .831 1 .00 26 .68 C

ATOM 831 O LEU A 146 37 .309 15 .604 13 .755 1 .00 25 .52 O

ATOM 832 CB LEU A 146 37 .173 18 .135 14 .825 1 .00 31 .55 C

ATOM 833 CG LEU A 146 35 .747 18 .245 15 .372 1 .00 36 .16 C

ATOM 834 CDl LEU A 146 35 .103 19 .542 14 .868 1 .00 32 .10 C

ATOM 835 CD2 LEU A 146 34 .938 17 .023 14 .960 1 .00 35 .55 C

ATOM 836 N PRO A 147 38 .450 14 .668 15 .463 1 .00 24 .51 N

ATOM 837 CA PRO A 147 38 .338 13 .321 14 .895 1 .00 22 .06 C

ATOM 838 C PRO A 147 36 .995 12 .668 15 .192 1 .00 21 .66 C

ATOM 839 O PRO A 147 36 .375 12 .928 16 .227 1 .00 21 .03 O

ATOM 840 CB PRO A 147 39 .481 12 .574 15 .566 1 .00 22 .16 C

ATOM 841 CG PRO A 147 39 .474 13 .173 16 .948 1 .00 23 .75 C

ATOM 842 CD PRO A 147 39 .312 14 .664 16 .660 1 .00 22 .86 C

ATOM 843 N PRO A 148 36 .523 1 _t r-1 .813 14 .281 1 .00 20 .97 N

ATOM 844 CA PRO A 148 35 .244 11 .123 14 .483 1 .00 18 .56 C

ATOM 845 C PRO A 148 35 .478 9 .938 15 .430 1 .00 17 .46 C

ATOM 846 O PRO A 148 36 .627 9 .600 15 .736 1 .00 17 .12 O

ATOM 847 CB PRO A 148 34 .896 10 .653 13 .079 1 .00 20 .13 C

ATOM 848 CG PRO A 148 36 .251 10 .307 12 .523 1 .00 25 .63 C

ATOM 849 CD PRO A 148 37 .109 11 .471 12 .971 1 .00 21 .17 C

ATOM 850 N PRO A 149 34. .399 9. .313 15 .928 1 .00 14 .78 N

ATOM 851 CA PRO A 149 34, .598 8. .167 16 .824 1. .00 14. .97 C

ATOM 852 C PRO A 149 35. .295 7. .115 15 .958 1. .00 16. .48 C

ATOM 853 O PRO A 149 34. .955 6. .960 14. .781 1. .00 17. .11 O

ATOM 854 CB PRO A 149 33. .168 7. 744 17. .187 1. .00 13. .90 C

ATOM 855 CG PRO A 149 32. .354 8. 995 16. .956 1. .00 19. .14 C

ATOM 856 CD PRO A 149 32. 967 9. 561 15. .694 1. 00 15. 22 C

ATOM 857 N ILE A 150 36. 253 6. 392 16. .526 1. 00 16. 75 N

ATOM 858 CA ILE A 150 36. 981 5. 398 15. 748 1. 00 16. 04 C

ATOM 859 C ILE A 150 37. 056 4. 017 16. 385 1. 00 15. 36 C

ATOM 860 O ILE A 150 37. 251 3. 894 17. 588 1. 00 15. 24 O

ATOM 861 CB ILE A 150 38. 433 5. 868 15. 495 1. 00 15. 32 C

ATOM 862 CGl ILE A 150 38. 435 7. 069 14. 540 1. 00 16. 68 C

ATOM 863 CG2 ILE A 150 39. 280 4. 714 14. 934 1. 00 17. 80 C

ATOM 864 CDl ILE A 150 39. 802 7. 718 14. 381 1. 00 13. 54 C

ATOM 865 N MET A 151 36. 885 2. 984 15. 566 1. 00 13. 65 N

ATOM 866 CA MET A 151 37. 028 1. 617 16. 042 1. 00 16. 21 C

ATOM 867 C MET A 151 38. 183 1. 001 15. 268 1. 00 14. 33 C

ATOM 868 O MET A 151 38. 133 0. 915 14. 037 1. 00 15. 33 O

ATOM 869 CB MET A 151 35. 782 0. 772 15. 795 1. 00 17. 23 C

ATOM 870 CG MET A 151 35. 974 -0. 650 16. 349 1. 00 24. 70 C

ATOM 871 SD MET A 151 34. 629 -1. 783 16. 061 1. 00 28. 64 S

ATOM 872 CE MET A 151 35. 436 -3. 384 16. 437 1. 00 27. 80 C

ATOM 873 N LEU A 152 39. 234 0. 603 15. 977 1. 00 12. 82 N

ATOM 874 CA LEU A 152 40. 371 -0. 025 15. 322 1. 00 14. 22 C

ATOM 875 C LEU A 152 40. 044 - 1 491 15. 038 1. 00 16. 47 C

ATOM 876 O LEU A 152 39. 460 -2. 177 15. 880 1. 00 13. 94 O

ATOM 877 CB LEU A 152 41. 617 0. 055 16. 216 1. 00 15. 28 C

ATOM 878 CG LEU . A 152 42. 475 1. 319 16. 105 1. 00 16. 96 C

ATOM 879 CDl LEU . A 152 43. 529 350 17. 218 1. 00 13. 19 C

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#10691216 v l

ATOM 880 CD2 LEU ^• A 152 43.138 1.338 14.730 1.00 16.02 C

ATOM 881 N ILE A 153 40 .403 -1.952 13 .843 1 .00 15 .43 N

ATOM 882 CA ILE A 153 40 .196 -3.346 13 .440 1 .00 13 .29 C

ATOM 883 C ILE A 153 41 .459 -3.797 12 .714 1 .00 14 .11 C

ATOM 884 O ILE A 153 41 .832 -3.213 11 .702 1 .00 14 .42 O

ATOM 885 CB ILE A 153 39 .001 -3.500 12 .488 1 .00 12 .86 C

ATOM 886 CGl ILE A 153 37 .717 -3.028 13 .183 1 .00 11 .95 C

ATOM 887 CG2 ILE A 153 38 .856 -4.959 12 .063 1 .00 13 .54 C

ATOM 888 CDl ILE A 153 36 .485 -3.151 12 .318 1 .00 9 .35 C

ATOM 889 N GLY A 154 42 .123 -4.831 13 .227 1 .00 14 .30 N

ATOM 890 CA GLY A 154 43 .349 -5.269 12 .585 1 .00 13 .14 C

ATOM 891 C GLY A 154 43 .512 -6.763 12 .423 1 .00 14 .41 C

ATOM 892 O GLY A 154 43 .078 -7.543 13 .268 1 .00 14 .96 O

ATOM 893 N HIS A 155 44 .141 -7.160 11 .323 1 .00 14 .83 N

ATOM 894 CA HIS A 155 44 .382 -8.569 11 .053 1 .00 17 .51 C

ATOM 895 C HIS A 155 45 .866 -8.892 11 .210 1 .00 16 .39 C

ATOM 896 O HIS A 155 46 .724 -8.196 10 .667 1 .00 16 .68 O

ATOM 897 CB HIS A 155 43 .921 -8.927 9 .638 .00 19 .28 C

ATOM 898 CG HIS A 155 44 .306 -10.308 9 .216 1 .00 24 .58 C

ATOM 899 NDl HIS A 155 45 .405 -10.567 8 .427 1 .00 24 .49 N

ATOM 900 CD2 HIS A 155 43 .767 -11.513 9 .519 1 .00 25 .75 C

ATOM 901 CEl HIS A 155 45 .527 -11.872 8 .262 1 .00 27 .15 C

ATOM 902 NE2 HIS A 155 44 .547 -12.468 8 .915 1 .00 26 .75 N

ATOM 903 N SER A 156 46 .163 -9.943 11 .969 1 .00 19 .40 N

ATOM 904 CA SER A 156 47 .541 -10.375 12 .190 1 .00 21 .83 C

ATOM 905 C SER A 156 48 .471 -9.216 12 .567 1 .00 19 .27 C

ATOM 906 O SER A 156 48 .282 -8.592 13 .605 1 .00 21 .48 O

ATOM 907 CB SER A 156 48. .061 -11.093 10 .939 1 .00 23 .54 C

ATOM 908 OG SER A 156 49. .302 -11.729 11 .203 1. .00 31. .79 O

ATOM 909 N MET A 157 49. .478 -8.937 11 .739 1 ^ri -. .00 18. .33 N

ATOM 910 CA MET A 157 50. .400 -7.837 12 .024 1. .00 15. .43 C

ATOM 911 C MET A 157 49. .596 -6.569 12. .335 1. .00 16. .03 C

ATOM 912 O MET A 157 49. .931 -5.824 13 , .254 1. .00 17. , 36 O

ATOM 913 CB MET A 157 51. 328 -7.573 10. .830 1. .00 14. 89 C

ATOM 914 CG MET A 157 52. 155 -6.274 10. .945 1. .00 15. 34 C

ATOM 915 SD MET A 157 53. 063 -5.816 9. .430 1. 00 19. 33 S

ATOM 916 CE MET A 157 51. 724 -5.130 8. 415 1. 00 16. 62 C

ATOM 917 N GLY A 158 48. 538 -6.340 11. 558 1. 00 15. 84 N

ATOM 918 CA GLY A 158 47. 691 -5.174 11. 757 1. 00 15. 07 C

ATOM 919 C GLY A 158 46. 957 -5.222 13. 083 1. 00 16. 23 C

ATOM 920 O GLY A 158 46. 657 -4.186 13. 675 1. 00 14. 15 O

ATOM 921 N GLY A 159 46. 651 -6.429 13. 545 1. 00 13. 52 N

ATOM 922 CA GLY A 159 45. 979 -6.571 14. 822 1. 00 14. 38 C

ATOM 923 C GLY A 159 46. 933 -6.160 15. 932 1. 00 15. 49 C

ATOM 924 O GLY A 159 46. 557 -5.461 16. 870 1. 00 15. 86 O

ATOM 925 N ALA A 160 48. 180 -6.597 15. 834 1. 00 14. 37 N

ATOM 926 CA ALA A 160 49. 169 -6.225 16. 839 1. 00 14. 66 C

ATOM 927 C ALA A 160 49. 370 -4.701 16. 829 1. 00 14. 27 C

ATOM 928 O ALA A 160 49. 432 -4.069 17. 885 1. 00 13. 28 O

ATOM 929 CB ALA A 160 50. 500 -6.931 16. 554 1. 00 15. 42 C

ATOM 930 N ILE A 161 49. 470 -4.111 15. 638 1. 00 13. 65 N

ATOM 931 CA ILE A 161 49. 673 -2.662 15. 541 1. 00 15. 57 C

ATOM 932 C ILE A 161 48. 466 -1.934 16. 116 1. 00 15. 43 C

ATOM 933 O ILE . A 161 48. 604 -0.893 16. 755 1. 00 16. 75 O

ATOM 934 CB ILE . A 161 49. 899 -2.200 14. 076 1. 00 15. 47 C

ATOM 935 CGl ILE . A 161 51. 148 -2.887 13. 498 1. 00 14. 09 C

ATOM 936 CG2 ILE , A 161 50. 089 -0.667 14. 027 1. 00 13. 70 C

-60- tf I06912I6 v)

ATOM 937 CDl. ILE: A 161 52.398 -2.783 14.397 1.00 13.26 C

ATOM 938 N ALA . A 162 47 .283 -2.487 15 .880 1.00 15 .15 N

ATOM 939 CA ALA . A 162 46 .056 -1.900 16 .403 1.00 15 .44 C

ATOM 940 C ALA . A 162 46 .118 -1.814 17 .929 1.00 13 .95 C

ATOM 941 O ALA . A 162 45 .762 -0.793 18 .513 1.00 15 .13 O

ATOM 942 CB ALA . A 162 44 .850 -2.736 15 .974 1.00 13 .15 C

ATOM 943 N VAL A 163 46 .575 -2.887 18 .571 1.00 13 .90 N

ATOM 944 CA VAL A 163 46 .674 -2.925 20 .032 1.00 10 .62 C

ATOM 945 C VAL A 163 47 .732 -1.964 20 .560 1.00 12 .69 C

ATOM 946 O VAL A 163 47 .509 -1.262 21 .548 1.00 13 .53 O

ATOM 947 CB VAL A 163 47 .001 -4.358 20 .530 1.00 16 .05 C

ATOM 948 CGl VAL A 163 47 .184 -4.365 22 .043 1.00 16 .70 C

ATOM 949 CG2 VAL A 163 45 .876 -5.301 20 .150 1.00 13 .71 C

ATOM 950 N HIS A 164 48 .894 -1.938 19 .919 1.00 12 .48 N

ATOM 951 CA HIS A 164 49 .952 -1.036 20 .354 1.00 13 .79 C

ATOM 952 C HIS A 164 49 .472 0.411 20 .250 1.00 15 .11 C

ATOM 953 O HIS A 164 49 .797 1.240 21 .089 1.00 17 .01 O

ATOM 954 CB HIS A 164 51 .205 -1.259 19 .505 1.00 15 .78 C

ATOM 955 CG HIS A 164 51 .942 -2.516 19 .854 1.00 17 .84 C

ATOM 956 NDl HIS A 164 52 .729 -2.627 20 .980 1.00 16 .28 N

ATOM 957 CD2 HIS A 164 51 .972 -3.729 19 .253 1.00 18 .37 C

ATOM 958 CEl HIS A 164 53 .215 -3.854 21 .057 1.00 20 .03 C

ATOM 959 NE2 HIS A 164 52 .770 -4.543 20 .021 1.00 16 .71 N

ATOM 960 N THR A 165 48 .685 0.700 19 .219 1.00 14 .49 N

ATOM 961 CA THR A 165 48 .138 2.040 19 .006 1.00 14 .57 C

ATOM 962 C THR A 165 47 .139 2.402 20 .122 1.00 16 .33 C

ATOM 963 O THR A 165 47 .240 3.458 20 .751 1.00 16 .52 O

ATOM 964 CB THR A 165 47 .438 2.101 17 .630 1.00 14 .92 C

ATOM 965 OGl THR A 165 48. .409 1.853 16 .610 1.00 15. .37 O

ATOM 966 CG2 THR A 165 46. .795 3.472 17 .386 1.00 11. .95 C

ATOM 967 N ALA A 166 46. .182 1.513 20 .367 1.00 13 , .32 N

ATOM 968 CA ALA A 166 45. .183 1.720 21. .406 1.00 17. .41 C

ATOM 969 C ALA A 166 45. .823 1.810 22, .790 1.00 20. .49 C

ATOM 970 O ALA A 166 45. .462 2.661 23 , .607 1.00 20. .53 O

ATOM 971 CB ALA A 166 44. 176 0.582 21. .379 1.00 14. 38 C

ATOM 972 N SER A 167 46. 781 0.924 23. .036 1.00 20. 05 N

ATOM 973 CA SER A 167 47. 480 0.857 24. .307 1.00 22. 75 C

ATOM 974 C SER A 167 48. 263 2.131 24. 618 1.00 23. 77 C

ATOM 975 O SER A 167 48. 328 2.563 25. 767 1.00 23. 48 O

ATOM 976 CB SER A 167 48. 434 -0.340 24. 299 1.00 24. 06 C

ATOM 977 OG SER A 167 49. 088 -0.460 25. 548 1.00 35. 28 O

ATOM 978 N SER A 168 48. 862 2.726 23. 594 1.00 20. 41 N

ATOM 979 CA SER A 168 49. 640 3.942 23. 781 1.00 22. 58 C

ATOM 980 C SER A 168 48. 760 5.184 23. 692 1.00 21. 06 C

ATOM 981 O SER A 168 49. 254 6.307 23. 717 1.00 22. 11 O

ATOM 982 CB SER A 168 50. 764 4.005 22. 745 1.00 25. 82 C

ATOM 983 OG SER A 168 51. 612 2.875 22. 876 1.00 23. 26 O

ATOM 984 N ASN A 169 47. 454 4.966 23. 590 1.00 20. 29 N

ATOM 985 CA ASN A 169 46. 479 6.049 23. 519 1.00 23. 72 C

ATOM 986 C ASN A 169 46. 836 7.082 22. 452 1.00 24. 41 C

ATOM 987 O ASN A 169 46. 775 8.292 22. 693 1.00 21. 39 O

ATOM 988 CB ASN A 169 46. 363 6.708 24. 901 1.00 25. 88 C

ATOM 989 CG ASN A 169 45. 176 7.642 25. 010 1.00 27. 35 C

ATOM 990 ODl ASN A 169 44. 116 7.395 24. 432 1.00 32. 18 O

ATOM 991 ND2 ASN A 169 45. 342 8.715 25. 775 1.00 27. 13 N

ATOM 992 N LEU A 170 47. 197 6.593 21. 267 1.00 19. 66 N

ATOM 993 CA LEU A 170 47. 563 7.462 20. 156 1.00 20. 12 C

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» 10691216 vl

ATOM 994 C LEU' A 170 46.361 7.971 19 ^■ '.368 1.00 23..48 C

ATOM 995 O LEO ' A 170 46 .484 8.918 18 .591 1.00 2C 1.57 O

ATOM 996 CB LEU A 170 48 .526 6.730 19 .222 1.00 ISi.95 C

ATOM 997 CG LEU A 170 49 -.835 6.339 19 .913 1.00 21 ..90 C

ATOM 998 CDl . LEU A 170 50 .733 5.569 18 .954 1.00 23 .18 C

ATOM 999 CD2 : LEU A 170 50 .528 7.602 20 .408 1.00 22 .80 C

ATOM 1000 N VAL A 171 45 .206 7.340 19 .565 1.00 17 .59 N

ATOM 1001 CA VAL A 171 43 .976 7.745 18 .882 1.00 18 .70 C

ATOM 1002 C VAL A 171 42 .963 8.139 19 .951 1.00 20 .85 C

ATOM 1003 O VAL A 171 42 .214 7.301 20 .459 1.00 21 .66 O

ATOM 1004 CB VAL A 171 43 .382 6.598 18 .031 1.00 18 .46 C

ATOM 1005 CGl VAL A 171 42 .058 7.037 17 .416 1.00 15 .74 C

ATOM 1006 CG2 VAL A 171 44 .369 6.195 16 .930 1.00 13 .27 C

ATOM 1007 N PRO A 172 42 .911 9.434 20 .283 1.00 19 .62 N

ATOM 1008 CA PRO A 172 42 .020 10.017 21 .294 1.00 22 .13 C

ATOM 1009 C PRO A 172 40 .554 9.597 21 .237 1.00 20 .16 C

ATOM 1010 O PRO A 172 39 .947 9.323 22 .275 1.00 20 .65 O

ATOM 1011 CB PRO A 172 42 .180 11.522 21 .075 1.00 22 .42 C

ATOM 1012 CG PRO A 172 43 .549 11.647 20 .518 1.00 25 .62 C

ATOM 1013 CD PRO A 172 43 .629 10.493 19 .554 1.00 22 .25 C

ATOM 1014 N SER A 173 39 .989 9.542 20 .034 1.00 16 .26 N

ATOM 1015 CA SER A 173 38 .574 9.192 19 .873 1.00 17 .32 C

ATOM 1016 C SER A 173 38 .260 7.698 19 .756 1.00 15 .28 C

ATOM 1017 O SER A 173 37 .147 7.319 19 .380 1.00 12 .95 O

ATOM 1018 CB SER A 173 38 .004 9.920 18 .653 1.00 16 .36 C

ATOM 1019 OG SER A 173 38 .663 9.505 17 .466 1.00 16 .37 O

ATOM 1020 N LEU A 174 39 .224 6.849 20 .090 1.00 16 .85 N

ATOM 1021 CA LEU A 174 39 .024 5.403 19 .998 1.00 16 .43 C

ATOM 1022 C LEU A 174 37 .879 4.920 20, .889 1.00 17 .58 C

ATOM 1023 O LEU A 174 37 .867 5.189 22. .091 1.00 19 .84 O

ATOM 1024 CB LEU A 174 40. .309 4.680 20. .398 1.00 14 .64 C

ATOM 1025 CG LEU A 174 40. .326 3.170 20. .177 1.00 17 .25 C

ATOM 1026 CDl LEU A 174 40. .278 2.870 18. .683 1.00 17 .09 C

ATOM 1027 CD2 LEU A 174 41. .589 2.584 20. 786 1.00 20 .10 C

ATOM 1028 N LEU A 175 36. .917 4.205 20. 316 1.00 15. .47 N

ATOM 1029 CA LEU A 175 35. 813 3.695 21. 120 1.00 17. .56 C

ATOM 1030 C LEU A 175 35. 743 2.167 21. 168 1.00 17. ,45 C

ATOM 1031 O LEU A 175 34. 948 1.605 21. 914 1.00 15. .99 O

ATOM 1032 CB LEU A 175 34. 477 4.262 20. 624 1.00 16. 45 C

ATOM 1033 CG LEU A 175 34. 087 4.175 19. 145 1.00 20. 84 C

ATOM 1034 CDl LEU A 175 34. 148 2.742 18. 641 1.00 19. 05 C

ATOM 1035 CD2 LEU A 175 32. 677 4.731 18. 984 1.00 21. 90 C

ATOM 1036 N GLY A 176 36. 576 1.495 20. 378 1.00 17. 50 N

ATOM 1037 CA GLY A 176 36. 554 0.040 20. 358 1.00 17. 08 C

ATOM 1038 C GLY A 176 37. 772 -0.546 19. 669 1.00 16. 67 C

ATOM 1039 O GLY A 176 38. 426 0.124 18. 871 1.00 14. 79 O

ATOM 1040 N LEU A 177 38. 072 -1.806 19. 955 1.00 12. 49 N

ATOM 1041 CA LEU A 177 39. 251 -2.438 19. 376 1.00 15. 26 C

ATOM 1042 C LEU A 177 38. 984 -3.884 18. 988 1.00 16. 88 C

ATOM 1043 O LEU A 177 38. 437 -4.639 19. 780 1.00 15. 39 O

ATOM 1044 CB LEU A 177 40. 385 -2.378 20. 400 1.00 15. 15 C

ATOM 1045 CG LEU . A 177 41. 671 -3.168 20. 163 1.00 18. 03 C

ATOM 1046 CDl LEU . A 177 42. 391 -2.644 18. 925 1.00 15. 04 C

ATOM 1047 CD2 LEU . A 177 42. 559 -3.041 21. 400 1.00 14. 78 C

ATOM 1048 N CYS , A 178 39. 372 -4.268 17. 773 1.00 14. 83 N

ATOM 1049 CA CYS . A 178 39. 165 -5.640 17. 310 1.00 15. 74 C

ATOM 1050 C CYS \ & 178 40. 429 -6.228 16.i 690 1.00 17. 69 C

-62-

1* 10691216 \ 1

ATOM 1051 O CYS A 178 41.091 -5.569 15.881 1.00 13.80 O

ATOM 1052 CB CYS A 178 38 .040 -5 .698 16 .261 1.00 14 .15 C

ATOM 1053 SG CYS A 178 37 .884 -7 .321 15 .417 1.00 15 .97 S

ATOM 1054 N MET A 179 40 .757 -7 .460 17 .082 1.00 15 .81 N

ATOM 1055 CA MET A 179 41 .912 -8 .181 16 .541 1.00 15 .78 C

ATOM 1056 C MET A 179 41 .363 -9 .394 15 .810 1.00 15 .69 C

ATOM 1057 O MET A 179 40 .507 -10 .096 16 .345 1.00 12 .43 O

ATOM 1058 CB MET A 179 42 .818 -8 .719 17 .645 1.00 19 .20 C

ATOM 1059 CG MET A 179 43 .454 -7 .702 18 .540 1.00 23 .80 C

ATOM 1060 SD MET A 179 44 .485 -8 .604 19 .698 1.00 24 .27 S

ATOM 1061 CE MET A 179 45 .956 -8 .646 18 .812 1.00 23 .07 C

ATOM 1062 N ILE A 180 41 .861 -9 .660 14 .609 1.00 15 .03 N

ATOM 1063 CA ILE A 180 41 .396 -10 .821 13 .866 1.00 16 .16 C

ATOM 1064 C ILE A 180 42 .516 -11 .850 13 .745 1.00 17 .17 C

ATOM 1065 O ILE A 180 43 .583 -11 .562 13 .214 1.00 14 .25 O

ATOM 1066 CB ILE A 180 40 .905 -10 .430 12 .456 1.00 15 .35 C

ATOM 1067 CGl ILE A 180 39 .770 -9 .407 12 .583 1.00 13 .75 C

ATOM 1068 CG2 ILE A 180 40 .429 -11 .675 11 .710 1.00 16 .03 C

ATOM 1069 CDl ILE A 180 39 .193 ~ 8 .916 11 .259 1.00 15 .26 C

ATOM 1070 N ASP A 181 42 .265 -13 .047 14 .263 1.00 16 .63 N

ATOM 1071 CA ASP A 181 43 .241 -14 .132 14 .208 1.00 20 .76 C

ATOM 1072 C ASP A 181 44 .617 -13 .794 14 .753 1.00 21 .80 C

ATOM 1073 O ASP A 181 45 .625 -14 .169 14 .165 1.00 27 .74 O

ATOM 1074 CB ASP A 181 43 .388 -14 .645 12 .773 1.00 22 .23 C

ATOM 1075 CG ASP A 181 42 .514 -15 .848 12 .499 1.00 24 .36 C

ATOM 1076 ODl ASP A 181 42 .043 -16 .465 13 .486 1.00 22 .02 O

ATOM 1077 OD2 ASP A 181 42 .315 -16 .187 11 .310 1.00 22 .17 O

ATOM 1078 N VAL A 182 44 .661 -13 .080 15. .871 1.00 21 .36 N

ATOM 1079 CA VAL A 182 45 .931 -12 .725 16. .494 1.00 24 .38 C

ATOM 1080 C VAL A 182 45. .940 -13 , .218 17. .927 1.00 20. .35 C

ATOM 1081 O VAL A 182 45, .194 -12. .709 18. .766 1.00 25. .82 O

ATOM 1082 CB VAL A 182 46 , .172 -11. .195 16. .556 1.00 25. .60 C

ATOM 1083 CGl VAL A 182 47. .479 -10. .920 17. .296 1.00 30. .82 C

ATOM 1084 CG2 VAL A 182 46. .234 -10. .609 15. .177 1.00 22. .44 C

ATOM 1085 N VAL A 183 46. 773 -14. 214 18. 209 1.00 17. 87 N

ATOM 1086 CA VAL A 183 46. 881 -14. 734 19. 565 1.00 16. 85 C

ATOM 1087 C VAL A 183 48. 364 -14. 841 19. 886 1.00 15. 62 C

ATOM 1088 O VAL A 183 49. 067 -15. 676 19. 319 1.00 13. 79 O

ATOM 1089 CB VAL A 183 46. 189 -16. 119 19. 706 1.00 16. 62 C

ATOM 1090 CGl VAL A 183 46. 481 -16. 718 21. 080 1.00 18. 17 C

ATOM 1091 CG2 VAL A 183 44. 676 -15. 960 19. 531 1.00 15. 93 C

ATOM 1092 N GLU A 184 48. 823 -13. 980 20. 794 1.00 13. 60 N

ATOM 1093 CA GLU A 184 50. 226 -13. 928 21. 195 1.00 16. 20 C

ATOM 1094 C GLU A 184 50. 882 -15. 285 21. 353 1.00 15. 45 C

ATOM 1095 O GLU A 184 51. 944 -15. 530 20. 780 1.00 16. 15 O

ATOM 1096 CB GLU A 184 50. 400 -13. 158 22. 514 1.00 13. 63 C

ATOM 1097 CG GLU A 184 51. 827 -13. 251 23. 056 1.00 16. 39 C

ATOM 1098 CD GLU A 184 52. 035 -12. 500 24. 358 1.00 19. 46 C

ATOM 1099 OEl GLU A 184 51. 058 -11. 928 24. 882 1.00 19. 20 O

ATOM 1100 OE2 GLU A 184 53. 184 -12. 488 24. 856 1.00 17. 55 O

ATOM 1101 N GLY A 185 50. 252 -16. 151 22. 143 1.00 14. 82 N

ATOM 1102 CA GLY A 185 50. 798 -17. 473 22. 400 1.00 17. 66 C

ATOM 1103 C GLY A 185 51. 294 -18. 244 21. 190 1.00 19. 85 C

ATOM 1104 O GLY . A 185 52. 325 -18. 912 21. 264 1.00 21. 38 O

ATOM 1105 N THR . A 186 50. 571 -18. 150 20. 078 1.00 18. 40 N

ATOM 1106 CA THR . A 186 50. 934 -18. 876 18. 862 1.00 18. 70 C

ATOM 1107 C THR . A 186 51. 304 -17. 976 17. 679 1.00 18. 95 C

-63-

#10691216 vl

ATOM 1108 O THR A. 186 51.573 -18.470 16.582 1..00 ISi.04 O

ATOM 1109 CB THR A . 186 49 .775 -19 .790 18 .413 1 ..00 17 .57 C

ATOM 1110 OGl THR A . 186 48 .570 -19 .016 18 .327 1 .00 19 -.50 O

ATOM 1111 CG: ! THR A 186 49 .569 -20 .938 19 .404 1 .00 20 .04 C

ATOM 1112 N ALA A 187 51 .336 -16 .668 17 .903 1 .00 14 .83 N

ATOM 1113 CA ALA A 187 51 .640 -15 .721 16 .834 1 .00 15 .69 C

ATOM 1114 C ALA A 187 52 .921 -16 .024 16 .061 1 .00 16 .49 C

ATOM 1115 O ALA A 187 52 .904 -16 .068 14 .827 1 .00 17 .76 O

ATOM 1116 CB ALA A 187 51 .691 -14 .302 17 .396 1 .00 15 .11 C

ATOM 1117 N MET A 188 54 .029 -16 .231 16 .768 1 .00 15 .84 N

ATOM 1118 CA MET A 188 55 .295 -16 .525 16 .097 1 .00 18 .16 C

ATOM 1119 C MET A 188 55 .205 -17 .791 15 .253 1 .00 17 .55 C

ATOM 1120 O MET A 188 55 .716 -17 .837 14 .135 1 .00 17 .70 O

ATOM 1121 CB MET A 188 56 .428 -16 .676 17 .116 1 .00 17 .89 C

ATOM 1122 CG MET A 188 56 .820 -15 .388 17 .809 1 .00 27 .24 C

ATOM 1123 SD MET A 188 57 .403 -14 .157 16 .638 1 .00 32 .68 S

ATOM 1124 CE MET A 188 58 .979 -14 .843 16 .168 1 .00 33 .64 C

ATOM 1125 N ASP A 189 54 .567 -18 .823 15 .792 1 .00 17 .44 N

ATOM 1126 CA ASP A 189 54 .429 -20 .074 15 .061 1 .00 16 .98 C

ATOM 1127 C ASP A 189 53 .553 -19 .896 13 .831 1 .00 20 .15 C

ATOM 1128 O ASP A 189 53 .795 -20 .508 12 .790 1 .00 14 .82 O

ATOM 1129 CB ASP A 189 53 .855 -21 .163 15 .969 1 .00 18 .19 C

ATOM 1130 CG ASP A 189 54 .836 -21 .593 17 .043 1 .00 20 .16 C

ATOM 1131 ODl ASP A 189 56 .059 -21 .514 16 .791 1 .00 20 .81 O

ATOM 1132 OD2 ASP A 189 54 .389 -22 .020 18 .127 1 .00 20 .99 O

ATOM 1133 N ALA A 190 52 .533 -19 .054 13 .945 1 .00 18 .32 N

ATOM 1134 CA ALA A 190 51. .659 -18 .797 12 .806 1 .00 17 .80 C

ATOM 1135 C ALA A 190 52. .476 -18. .143 11. .683 1 .00 18 .03 C

ATOM 1136 O ALA A 190 52. .369 -18. .534 10. .522 1 .00 20 .23 O

ATOM 1137 CB ALA A 190 50. .495 -17. .886 13. .227 1 .00 15 .90 C

ATOM 1138 N LEU A 191 53. .299 -17. .156 12. .027 1 .00 16 .49 N

ATOM 1139 CA LEU A 191 54. 109 -16. .480 11. .016 1. .00 16. .44 C

ATOM 1140 C LEU A 191 55. 191 -17. .374 10. .415 1. .00 20. .86 C

ATOM 1141 O LEU A 191 55. 486 -17. .293 9. ,221 1. ,00 19. .66 O

ATOM 1142 CB LEU A 191 54. 748 -15. 222 11. 594 1. 00 19. .57 C

ATOM 1143 CG LEU A 191 53. 818 -14. 004 11. 666 1. 00 23. 21 C

ATOM 1144 CDl LEU A 191 54. 602 -12. 788 12. 126 1. 00 27. 24 C

ATOM 1145 CD2 LEU A 191 53. 226 -13. 737 10. 300 1. 00 26. 58 C

ATOM 1146 N ASN A 192 55. 793 -18. 221 11. 236 1. 00 19. 99 N

ATOM 1147 CA ASN A 192 56. 825 -19. 115 10. 732 1. 00 23. 44 C

ATOM 1148 C ASN A 192 56. 249 -20. 157 9. 111 1. 00 21. 64 C

ATOM 1149 O ASN A 192 56. 877 -20. 503 8. 776 1. 00 18. 67 O

ATOM 1150 CB ASN A 192 57. 543 -19. 784 11. 899 1. 00 24. 76 C

ATOM 1151 CG ASN A 192 58. 543 -18. 861 12. 552 1. 00 30. 64 C

ATOM 1152 ODl ASN A 192 58. 751 -18. 900 13. 764 1. 00 36. 54 O

ATOM 1153 ND2 ASN A 192 59. 181 -18. 025 11. 742 1. 00 29. 76 N

ATOM 1154 N SER A 193 55. 049 -20. 648 10. 068 1. 00 21. 78 N

ATOM 1155 CA SER A 193 54. 438 -21. 641 9. 192 1. 00 26. 02 C

ATOM 1156 C SER A 193 54. 207 -21. 032 7. 810 1. 00 27. 62 C

ATOM 1157 O SER A 193 54. 207 -21. 741 6. 807 1. 00 30. 36 O

ATOM 1158 CB SER . A 193 53. 103 -22. 131 9. 762 1. 00 27. 30 C

ATOM 1159 OG SER . A 193 52. 116 -21. 119 9. 702 1. 00 32. 12 O

ATOM 1160 N MET . A 194 54. 023 -19. 716 7. 768 1. 00 30. 59 N

ATOM 1161 CA MET . A 194 53. 781 -18. 996 6. 516 1. 00 35. 42 C

ATOM 1162 C MET . A 194 55. 022 -18. 814 5. 649 1. 00 34. 89 C

ATOM 1163 O MET . A 194 54. 945 -18. 892 4. 423 1. 00 34. 91 O

ATOM 1164 CB MET , A 194 53. 185 -17. 616 6. 814 1. 00 37. 77 C

-64-

» 10691216 vl

ATOM 1165 CG MET ¹ A 194 51.665 -17.545 6.790 1.00 46.51 C

ATOM 1166 SD MET ¹ A 194 50 .983 -17 .509 5 .106 1 .00 49 .88 S

ATOM 1167 CE MET A 194 51 .286 -15 .797 4 .668 1 .00 52 .59 C

ATOM 1168 N GLN A 195 56 .163 -18 .571 6 .284 1 .00 36 .93 N

ATOM 1169 CA GLN A 195 57 .409 -18 .341 5 .554 1 .00 35 .62 C

ATOM 1170 C GLN A 195 57 .748 -19 .379 4 .495 1 .00 33 .07 C

ATOM 1171 O GLN A 195 58 .267 -19 .040 3 .436 1 .00 27 .58 O

ATOM 1172 CB GLN A 195 58 .572 -18 .201 6 .537 1 .00 39 .35 C

ATOM 1173 CG GLN A 195 58 .459 -16 .963 7 .404 1 .00 45 .87 C

ATOM 1174 CD GLN A 195 58 .421 -15 .683 6 .584 1 .00 50 .75 C

ATOM 1175 OEl GLN A 195 58 .043 -14 .620 7 .083 1 .00 52 .42 O

ATOM 1176 NE2 GLN A 195 58 .821 -15 .778 5 .319 1 .00 51 .40 N

ATOM 1177 N ASN A 196 57 .460 -20 .642 4 .774 1 .00 33 .80 N

ATOM 1178 CA ASN A 196 57 .746 -21 .705 3 .821 1 .00 33 .15 C

ATOM 1179 C ASN A 196 56 .961 -21 .439 2 .531 1 .00 29 .59 C

ATOM 1180 O ASN A 196 57 .501 -21 .517 1 .434 1 .00 32 .98 O

ATOM 1181 CB ASN A 196 57 .355 -23 .051 4 .433 1 .00 41 .24 C

ATOM 1182 CG ASN A 196 57 .808 -23 .183 5 .885 1 .00 45 .64 C

ATOM 1183 ODl ASN A 196 59 .004 -23 .140 6 .181 1 .00 51 .23 O

ATOM 1184 ND2 ASN A 196 56 .853 -23 .335 6 .793 1 .00 44 .46 N

ATOM 1185 N PHE A 197 55 .686 -21 .106 2 .677 1 .00 28 .16 N

ATOM 1186 CA PHE A 197 54 .833 -20 .797 1 .534 1 .00 24 .02 C

ATOM 1187 C PHE A 197 55 .347 -19 .545 0 .836 1 .00 23 .54 C

ATOM 1188 O PHE A 197 55 .508 -19 .512 -0 .386 1 .00 19 .96 O

ATOM 1189 CB PHE A 197 53 .400 -20 .542 2 .003 1 .00 22 .54 C

ATOM 1190 CG PHE A 197 52 .536 -19 .849 0 .976 1 .00 26 .22 C

ATOM 1191 CDl PHE A 197 52, .111 -20 .523 -0 .166 1 .00 25 .70 C

ATOM 1192 CD2 PHE A 197 52. .152 -18 .520 1 .152 1. .00 25. .09 C

ATOM 1193 CEl PHE A 197 51. .312 -19 .885 -1. .120 1, .00 28. .43 C

ATOM 1194 CE2 PHE A 197 51. .352 -17 .872 0 .203 1. .00 24. .28 C

ATOM 1195 CZ PHE A 197 50. .931 -18. .558 -0. .934 1. .00 22. , 54 C

ATOM 1196 N LEU A 198 55. .608 -18. .508 1. .624 1. .00 24. .69 N

ATOM 1197 CA LEU A 198 56. 080 -17. .249 1. .065 1. .00 26. 35 C

ATOM 1198 C LEU A 198 57. 344 -17. .417 0. ,227 1. .00 27. 36 C

ATOM 1199 O LEU A 198 57. 433 -16. 890 -0. 885 1. 00 28. 29 O

ATOM 1200 CB LEU A 198 56. 305 -16. 228 2. 184 1. 00 24. 11 C

ATOM 1201 CG LEU A 198 55. 047 -15. 889 2. 995 1. 00 25. 48 C

ATOM 1202 CDl LEU A 198 55. 396 -14. 913 4. 118 1. 00 26. 12 C

ATOM 1203 CD2 LEU A 198 53. 982 -15. 292 2. 077 1. 00 27. 31 C

ATOM 1204 N ARG A 199 58. 316 -18. 160 0. 738 1. 00 25. 61 N

ATOM 1205 CA ARG A 199 59. 555 -18. 350 -0. 005 1. 00 28. 56 C

ATOM 1206 C ARG A 199 59. 364 -19. 126 -1. 310 1. 00 28. 28 C

ATOM 1207 O ARG A 199 60. 100 -18. 915 ~ ? 274 1. 00 29. 35 O

ATOM 1208 CB ARG A 199 60. 586 -19. 058 0. 869 1. 00 35. 49 C

ATOM 1209 CG ARG A 199 60. 126 -20. 398 1. 403 1. 00 44. 92 C

ATOM 1210 CD ARG A 199 61. 090 -20. 920 2. 457 1. 00 52. 08 C

ATOM 1211 NE ARG A 199 61. 359 -19. 907 3. 475 1. 00 55. 31 N

ATOM 1212 CZ ARG A 199 61. 991 -20. 143 4. 619 1. 00 56. 54 C

ATOM 1213 NHl ARG A 199 62. 421 -21. 367 4. 898 1. 00 58. 45 N

ATOM 1214 NH2 ARG A 199 62. 201 -19. 154 5. 480 1. 00 54. 10 N

ATOM 1215 N GLY A 200 58. 370 -20. 007 -1. 347 1. 00 26. 20 N

ATOM 1216 CA GLY A 200 58. 135 -20. 796 -2. 546 1. 00 23. 08 C

ATOM 1217 C GLY A 200 57. 294 -20. 152 - ^" } 637 1. 00 23. 22 C

ATOM 1218 O GLY A 200 57. 165 -20. 712 -4. 727 1. 00 20. 45 O

ATOM 1219 N ARG A 201 56. 721 -18. 983 -3. 366 1. 00 20. 79 N

ATOM 1220 CA ARG . A 201 55. 882 -18. 304 -4. 354 1. 00 19. 19 C

ATOM 1221 C ARG . A 201 56. 670 -17. 841 -5. 573 1. 00 18. 75 C

-65-

# 10691216 v l

ATOM 1222 O ARG A 201 57.898 -17.743 -5.534 1.00 IS».66 O

ATOM 1223 CB ARG A 201 55 .210 -17 .067 -3.734 1.00 ISi.79 C

ATOM 1224 CG ARG A 201 54 .295 -17 .339 -2.553 1.00 20 >.14 C

ATOM 1225 CD ARG A 201 53 .595 -16 .056 -2.092 1.00 21 .35 C

ATOM 1225 NE ARG A 201 54 .550 -15 .006 -1.725 1.00 21 .79 N

ATOM 1227 CZ ARG A 201 54 .200 -13 .812 -1.252 1.00 24 .82 C

ATOM 1228 NHl ARG A 201 52 .918 -13 .508 -1.082 1.00 24 .12 N

ATOM 1229 NH2 ARG A 201 55 .128 -12 .922 -0.951 1.00 25 .35 N

ATOM 1230 N PRO A 202 55 .971 -17 .561 -6.684 1.00 18 .13 N

ATOM 1231 CA PRO A 202 56 .679 -17 .093 -7.878 1.00 22 .02 C

ATOM 1232 C PRO A 202 57 .381 -15 .789 -7.484 1.00 25 .18 C

ATOM 1233 O PRO A 202 56 .906 -15 .077 -6.594 1.00 24 .64 O

ATOM 1234 CB PRO A 202 55 .550 -16 .854 -8.870 1.00 23 .33 C

ATOM 1235 CG PRO A 202 54 .559 -17 .919 -8.501 1.00 25 .37 C

ATOM 1236 CD PRO A 202 54 .560 -17 .858 -6,991 1.00 21 .24 C

ATOM 1237 N LYS A 203 58 .505 -15 .477 -8.118 1.00 23 .45 N

ATOM 1238 CA LYS A 203 59 .221 -14 .249 -7.785 1.00 27 .01 C

ATOM 1239 C LYS A 203 58 .715 -13 .052 -8.582 1.00 26 .77 C

ATOM 1240 O LYS A 203 58 .913 -11 .911 -8.175 1.00 30 .72 O

ATOM 1241 CB LYS A 203 60 .728 -14 .425 -8.002 1.00 28 .81 C

ATOM 1242 CG LYS A 203 61 .333 -15 .481 -7.092 1.00 35 .13 C

ATOM 1243 CD LYS A 203 62 .852 -15 .455 -7.095 1.00 38 .60 C

ATOM 1244 CE LYS A 203 63 .400 -16 .559 -6.201 1.00 40 .89 C

ATOM 1245 NZ LYS A 203 62 .785 -16 .522 -4.835 1.00 41 .02 N

ATOM 1246 N THR A 204 58 .066 -13 .315 -9.714 1.00 24 .72 N

ATOM 1247 CA THR A 204 57 .522 -12 .254 -10.560 1.00 25 .00 C

ATOM 1248 C THR A 204 56 .312 -12 .778 -11.314 1.00 25 .61 C

ATOM 1249 O THR A 204 56 .102 -13 .984 -11.403 1.00 28 .60 O

ATOM 1250 CB THR A 204 58. .539 -11. .768 -11.623 1.00 26 .69 C

ATOM 1251 OGl THR A 204 58, .763 -12 , .811 -12.579 1.00 26 .83 O

ATOM 1252 CG2 THR A 204 59. .862 -11. ,389 -10.978 1.00 25 .37 C

ATOM 1253 N PHE A 205 55. .520 -11. , 863 -11.857 1.00 24 , .51 N

ATOM 1254 CA PHE A 205 54. 343 -12. 219 -12.636 1.00 25, .30 C

ATOM 1255 C PHE A 205 54. 370 -11. 390 -13.909 1.00 26. ,59 C

ATOM 125G O PHE A 205 54. 766 -10. 228 -13.888 1.00 27. ,61 O

ATOM 1257 CB PHE A 205 53. 064 -11. 924 -11.850 1.00 23. ,47 C

ATOM 1258 CG PHE A 205 52. 874 -12. 814 -10.651 1.00 21. 98 C

ATOM 1259 CDl PHE A 205 52. 439 -14. 130 -10.808 1.00 22. 18 C

ATOM 1260 CD2 PHE A 205 53. 161 -12. 349 -9.373 1.00 20. 88 C

ATOM 1261 CEl PHE A 205 52. 295 -14. 971 -9.704 1.00 20. 77 C

ATOM 1262 CE2 PHE A 205 53. 019 -13. 183 -8.258 1.00 18. 86 C

ATOM 1263 CZ PHE A 205 52. 585 -14. 496 -8.428 1.00 20. 26 C

ATOM 1264 N LYS A 206 53. 948 -11. 991 -15.014 1.00 27. 54 N

ATOM 1265 CA LYS A 206 53. 937 -11. 302 -16.293 1.00 33. 32 C

ATOM 1266 C LYS A 206 52. 981 -10. 131 -16.275 1.00 31. 89 C

ATOM 1267 O LYS A 206 53. 277 -9. 074 -16.826 1.00 35. 12 O

ATOM 1268 CB LYS A 206 53. 542 -12. 271 -17.403 1.00 37. 69 C

ATOM 1269 CG LYS A 206 54. 461 -13. 470 -17.488 1.00 45. 20 C

ATOM 1270 CD LYS A 206 53. 945 -14. 504 -18.467 1.00 49. 95 C

ATOM 1271 CE LYS A 206 54. 837 -15. 731 -18.449 1.00 54. 82 C

ATOM 1272 NZ LYS A 206 54. 981 -16. 272 -17.064 1.00 57. 12 N

ATOM 1273 N SER A 207 51. 834 -10. 320 -15.633 1.00 29. 48 N

ATOM 1274 CA SER A 207 50. 832 -9. 268 -15.553 1.00 26. 41 C

ATOM 1275 C SER . A 207 50. 114 - 9 316 -14.218 1.00 28. 00 C

ATOM 1276 O SER . A 207 50. 290 -10. 248 -13.436 l.oo : 23. 33 O

ATOM 1277 CB SER . A 207 49. 796 -9. 437 -16.661 1.00 , 27. 57 C

ATOM 1278 OG SER , A 207 49. 043 -10. 621 -16.459 l. oo ; 23. 25 O

-66-

" ⁽ 10691216 v l

ATOM 1279 N LEUr A. 208 4S1.288 -8.307 -13.972 1.00 25.72 N

ATOM 1280 CA LEUi A 208 48 .519 -8 .239 -12 .742 1.00 26 .71 C

ATOM 1281 C LED ^■ A 208 47 .465 -9 .341 -12 .783 1.00 25 .60 C

ATOM 1282 O LED ' A 208 47 .159 -9 .963 -11 .767 1.00 21 .75 O

ATOM 1283 CB LEU ^" A 208 47 .858 -6 .868 -12 .624 1.00 29 .05 C

ATOM 1284 CG LEU A 208 47 .131 -6 .514 -11 .331 1.00 32 .02 C

ATOM 1285 CDl . LEU ¹ A 208 47 .982 -6 .880 -10 .118 1.00 33 .86 C

ATOM 1286 CD2 LEU A 208 46 .831 -5 .022 -11 .342 1.00 32 .11 C

ATOM 1287 N GLU A 209 46 .922 -9 .593 -13 .969 1.00 19 .86 N

ATOM 1288 CA GLU A 209 45 .917 -10 .633 -14 .122 1.00 20 .88 C

ATOM 1289 C GLU A 209 46 .481 -12 .003 -13 .771 1.00 19 .27 C

ATOM 1290 O GLU A 209 45 .782 -12 .837 -13 .180 1.00 19 .24 O

ATOM 1291 CB GLU A 209 45 .384 -10 .669 -15 .553 1.00 23 .64 C

ATOM 1292 CG GLU A 209 44 .239 -11 .645 -15 .721 1.00 31 .06 C

ATOM 1293 CD GLU A 209 43 .612 -11 .583 -17 .099 1.00 37 .11 C

ATOM 1294 OEl GLU A 209 43 .336 -10 .464 -17 .577 1.00 40 .01 O

ATOM 1295 OE2 GLU A 209 43 .383 -12 .654 -17 .697 1.00 41 .34 O

ATOM 1296 N ASN A 210 47 .737 -12 .250 -14 .133 1.00 17 .89 N

ATOM 1297 CA ASN A 210 48 .327 -13 .549 -13 .831 1.00 20 .24 C

ATOM 1298 C ASN A 210 48 .597 -13 .687 -12 .345 1.00 18 .45 C

ATOM 1299 O ASN A 210 48 .492 -14 .783 -11 .799 1.00 18 .42 O

ATOM 1300 CB ASN A 210 49 .627 -13 .784 -14 .601 1.00 25 .33 C

ATOM 1301 CG ASN A 210 50 .169 -15 .198 -14 .393 1.00 34 .23 C

ATOM 1302 ODl ASN A 210 49 .500 -16 .186 -14 .714 1.00 32 .18 O

ATOM 1303 ND2 ASN A 210 51 .374 -15 .298 -13 .843 1.00 33 .31 N

ATOM 1304 N ALA A 211 48 .941 -12 .580 -11 .687 1.00 19. .97 N

ATOM 1305 CA ALA A 211 49 .200 -12 .616 -10 .245 1.00 19. .59 C

ATOM 1306 C ALA A 211 47 .896 -12. .975 -9 .545 1.00 18. .35 C

ATOM 1307 O ALA A 211 47 .871 -13. .782 -8 .609 1.00 17. .43 O

ATOM 1308 CB ALA A 211 49 .713 -11, .251 -9 .752 1.00 15. .58 C

ATOM 1309 N ILE A 212 46 .806 -12. .369 -10. .007 1.00 18. 11 N

ATOM 1310 CA ILE A 212 45 .496 -12. .635 -9. .434 1.00 16. 80 C

ATOM 1311 C ILE A 212 45 .110 -14. .089 -9. .671 1.00 17. 28 C

ATOM 1312 O ILE A 212 44 .637 -14. .775 -8. .758 1.00 15. 80 O

ATOM 1313 CB ILE A 212 44. .414 -11. 711 -10. .051 1.00 18. 07 C

ATOM 1314 CGl ILE A 212 44. .650 -10. 266 -9. 599 1.00 17. 58 C

ATOM 1315 CG2 ILE A 212 43. .016 -12. 188 -9. 646 1.00 17. 28 C

ATOM 1316 CDl ILE A 212 43. 900 -9. 222 -10. 416 1.00 19. 46 C

ATOM 1317 N GLU A 213 45. 317 -14. 570 -10. 891 1.00 17. 02 N

ATOM 1318 CA GLU A 213 44. 960 -15. 946 -11. 191 1.00 19. 02 C

ATOM 1319 C GLU A 213 45. 784 -16. 893 -10. 325 1.00 19. 15 C

ATOM 1320 O GLU A 213 45. 268 -17. 884 -9. 809 1.00 18. 97 O

ATOM 1321 CB GLU A 213 45. 179 -16. 252 -12. 674 1.00 19. 13 C

ATOM 1322 CG GLU A 213 44. 655 -17. 622 -13. 099 1.00 17. 86 C

ATOM 1323 CD GLU A 213 44. 530 -17. 747 -14. 606 1.00 23. 74 C

ATOM 1324 OEl GLU A 213 44. 871 -16. 776 -15. 310 1.00 25. 42 O

ATOM 1325 OE2 GLU A 213 44. 088 -18. 811 -15. 085 1.00 24. 12 O

ATOM 1326 N TRP A 214 47. 064 -16. 585 -10. 155 1.00 20. 08 N

ATOM 1327 CA TRP A 214 47. 921 -17. 434 -9. 334 1.00 19. 85 C

ATOM 1328 C TRP A 214 47. 464 -17. 411 -7. 871 1.00 20. 83 C

ATOM 1329 O TRP A 214 47. 401 -18. 457 _ ₇ 215 1.00 15. 58 O

ATOM 1330 CB TRP A 214 49. 379 -16. 969 -9. 411 1.00 19. 54 C

ATOM 1331 CG TRP A 214 50. 278 -17. 757 -8. 496 1.00 21. 03 C

ATOM 1332 CDl TRP . A . 214 50. 927 -18. 923 -8. 787 1.00 23. 98 C

ATOM 1333 CD2 TRP . A : 214 50. 515 -17. 505 -7. 105 1.00 21. 14 C

ATOM 1334 NEl TRP . A : 214 51. 544 -19. 417 -7. 664 1.00 22. 88 N

ATOM 1335 CE2 TRP . A : 214 51. 306 -18.. 567 -6. 617 1.00 . 22.. 59 C

-67-

»10691216 v!

ATOM 1336 CE3i TRE ^» A 214 50.129 -16.487 -6.223 1.00 ¹ 19.22 C

ATOM 1337 CZ2 : TRE ^• A 214 51 .719 -18 .643 -5.283 1.00 22 .34 C

ATOM 1338 CZ3 ■ TRF ' A 214 50 .540 -16 .564 -4.895 1.00 22 .70 C

ATOM 1339 CH2 TRP ¹ A 214 51 .327 -17 .635 -4.441 1.00 20 .80 C

ATOM 1340 N SER . A 215 47 .143 -16 .221 -7.361 1.00 17 .81 N

ATOM 1341 CA SER A 215 46 .730 -16 .086 -5.965 1.00 17 .79 C

ATOM 1342 C SER A 215 45 .506 -16 .935 -5.639 1.00 17 .96 C

ATOM 1343 O SER A 215 45 .348 -17 .397 -4.503 1.00 16 .46 O

ATOM 1344 CB SER A 215 46 .449 -14 .620 -5.615 1.00 19 .02 C

ATOM 1345 OG SER A 215 45 .211 -14 .184 -6.151 1.00 18 .45 O

ATOM 1346 N VAL A 216 44 .642 -17 .137 -6.628 1.00 13 .74 N

ATOM 1347 CA VAL A 216 43 .445 -17 .944 -6.427 1.00 15 .24 C

ATOM 1348 C VAL A 216 43 .735 -19 .427 -6.616 1.00 16 .13 C

ATOM 1349 O VAL A 216 43 .406 -20 .249 -5.757 1.00 16 .30 O

ATOM 1350 CB VAL A 216 42 .310 -17 .549 -7.409 1.00 16 .18 C

ATOM 1351 CGl VAL A 216 41 .141 -18 .509 -7.265 1.00 17 .25 C

ATOM 1352 CG2 VAL A 216 41 .837 -16 .132 -7.119 1.00 17 .33 C

ATOM 1353 N LYS A 217 44 .368 -19 .772 -7.733 1.00 14 .91 N

ATOM 1354 CA LYS A 217 44 .637 -21 .179 -8.006 1.00 16 .31 C

ATOM 1355 C LYS A 217 45 .639 -21 .822 -7.050 1.00 16 .46 C

ATOM 1356 O LYS A 217 45 .618 -23 .035 -6.844 1.00 18 .54 O

ATOM 1357 CB LYS A 217 45 .054 -21 .344 -9.463 1.00 16 .74 C

ATOM 1358 CG LYS A 217 43 .872 -21 .129 -10.408 1.00 20 .53 C

ATOM 1359 CD LYS A 217 44 .251 -21 .207 -11.879 1.00 21 .64 C

ATOM 1360 CE LYS A 217 43 .007 -21 .088 -12.762 1.00 22 .17 C

ATOM 1361 NZ LYS A 217 43 .326 -21 .086 -14.225 1.00 22, .62 N

ATOM 1362 N SER A 218 46 .488 -21. .004 -6.439 1.00 17 , .20 N

ATOM 1363 CA SER A 218 47 .477 -21, .498 -5.483 1.00 17. ,38 C

ATOM 1364 C SER A 218 46 .792 -21. .778 -4.154 1.00 19. ,97 C

ATOM 1365 O SER A 218 47 , .316 -22. .514 -3.319 1.00 18. 84 O

ATOM 1366 CB SER A 218 48, .555 -20. .447 -5.248 1.00 18. 17 C

ATOM 1367 OG SER A 218 48. .007 -19. 334 -4.566 1.00 18. 66 O

ATOM 1368 N GLY A 219 45. ,625 -21. 171 -3.961 1.00 18. 80 N

ATOM 1369 CA GLY A 219 44. 896 -21. 347 -2.719 1.00 18. 78 C

ATOM 1370 C GLY A 219 45. 164 -20. 221 -1.734 1.00 21. 18 C

ATOM 1371 O GLY A 219 44. 667 -20. 243 -0.607 1.00 20. 35 O

ATOM 1372 N GLN A 220 45. 941 -19. 221 -2.140 1.00 17. 94 N

ATOM 1373 CA GLN A 220 46. 241 -18. 121 -1.225 1.00 19. 00 C

ATOM 1374 C GLN A 220 44. 994 -17. 293 -0.919 1.00 21. 56 C

ATOM 1375 O GLN A 220 44. 729 -16. 962 0.238 1.00 20. 12 O

ATOM 1376 CB GLN A 220 47. 331 -17. 211 -1.799 1.00 20. 29 C

ATOM 1377 CG GLN A 220 47. 782 -16. 143 -0.816 1.00 27. 01 C

ATOM 1378 CD GLN A 220 48. 696 -15. 105 -1.438 1.00 32. 50 C

ATOM 1379 OEl GLN A 220 49. 804 -15. 418 -1.880 1.00 34. 54 O

ATOM 1380 NE2 GLN A 220 48. 235 -13. 857 -1.472 1.00 30. 52 N

ATOM 1381 N ILE A 221 44. 236 -16. 955 -1.958 1.00 19. 10 N

ATOM 1382 CA ILE A 221 43. 010 -16. 177 -1.796 1.00 20. 55 C

ATOM 1383 C ILE A 221 41. 883 -16. 976 -2.452 1.00 23. 76 C

ATOM 1384 O ILE A 221 41. 783 -17. 030 -3.677 1.00 21. 11 O

ATOM 1385 CB ILE A 221 43. 127 -14. 787 -2.472 1.00 22. 38 C

ATOM 1386 CGl ILE A 221 44. 366 -14. 054 -1.951 1.00 18. 19 C

ATOM 1387 CG2 ILE A 221 41. 880 -13. 945 -2.167 1.00 19. 30 C

ATOM 1388 CDl ILE A 221 44. 670 -12. 769 -2.690 1.00 21. 60 C

ATOM 1389 N ARG A 222 41. 052 -17. 605 -1.628 1.00 22. 93 N

ATOM 1390 CA ARG A 222 39. 948 -18. 425 -2.114 1.00 28. ^■ 46 C

ATOM 1391 C ARG . A 222 38. 860 -17. 634 -2.822 1.00 27.; 87 C

ATOM 1392 O ARG . A 222 38. 289 -18. 085 -3.819 1.00 . 30. i 58 O

-68-

.'/ 1069) 216 vl

ATOM 1393 CB ARG; A 222 39'.300 -19' .175 -0.953 1.00 32.06 C

ATOM 1394 CG ARG ^■ A 222 39 .757 -20 .595 -0 .772 1 .00 41 .00 C

ATOM 1395 CD ARG A 222 41 .142 -20 .683 -0 .180 1 .00 43 .56 C

ATOM 1396 NE ARG A 222 41 .438 -22 .070 0 .164 1 .00 52 .35 N

ATOM 1397 CZ ARG A 222 42 .516 -22 .471 0 .825 1 .00 51 .78 C

ATOM 1398 NHl . ARG A 222 43 .422 -21 .589 1 .220 1 .00 53 .87 N

ATOM 1399 NH2 ! ARG A 222 42 .678 -23 .759 1 .103 1 .00 52 .96 N

ATOM 1400 N ASN A 223 38 .573 -16 .459 -2 .286 1 .00 23 .29 N

ATOM 1401 CA ASN A 223 37 .535 -15 .599 -2 .814 1 .00 19 .16 C

ATOM 1402 C ASN A 223 38 .008 -14 .810 -4 .032 1 .00 17 .48 C

ATOM 1403 O ASN A 223 38 .734 -13 .824 -3 .913 1 .00 14 .74 O

ATOM 1404 CB ASN A 223 37 .063 -14 .668 -1 .690 1 .00 21 .65 C

ATOM 1405 CG ASN A 223 35 .905 -13 .787 -2 .101 1 .00 25 .87 C

ATOM 1406 ODl ASN A 223 35 .256 -14 .023 -3 .118 1 .00 29 .42 O

ATOM 1407 ND2 ASN A 223 35 .632 -12 .766 -1 .299 1 .00 27 .88 N

ATOM 1408 N LEU A 224 37 .594 -15 .261 -5 .212 1 .00 17 .00 N

ATOM 1409 CA LEU A 224 37 .975 -14 .600 -6 .455 1 .00 17 .76 C

ATOM 1410 C LEU A 224 37 .677 -13 .104 -6 .431 1 .00 16 .47 C

ATOM 1411 O LEU A 224 38 .502 -12 .295 -6 .857 1 .00 19 .10 O

ATOM 1412 CB LEU A 224 37 .247 -15 .246 -7 .639 1 .00 18 .32 C

ATOM 1413 CG LEU A 224 37 .343 -14 .544 -9 .000 1 .00 16 .11 C

ATOM 1414 CDl LEU A 224 38 .792 -14 .419 -9 .442 1 .00 19 .05 C

ATOM 1415 CD2 LEU A 224 36 .537 -15 .350 -10 .023 1 .00 18 .28 C

ATOM 1416 N GLU A 225 36 .503 -12 .735 -5 .928 1 .00 17 .12 N

ATOM 1417 CA GLU A 225 36 .126 -11 .324 -5 .888 1 .00 18 .64 C

ATOM 1418 C GLU A 225 37 .162 -10 .495 -5 .147 1. .00 17 .51 C

ATOM 1419 O GLU A 225 37 .618 -9 .459 -5 .640 1. .00 15. .19 O

ATOM 1420 CB GLU A 225 34 .752 -11 .136 -5 .228 1. .00 18. .68 C

ATOM 1421 CG GLU A 225 34 .242 -9 .691 -5 .349 1. .00 21. .39 C

ATOM 1422 CD GLU A 225 32. .949 -9. .427 -4. .596 1. .00 21. .27 C

ATOM 1423 OEl GLU A 225 32, .350 -10. .382 -4. .060 1. .00 20. .97 O

ATOM 1424 OE2 GLU A 225 32. .531 -8. .250 -4. .546 1. .00 22. .28 O

ATOM 1425 N SER A 226 37. .546 -10. .958 -3. .963 1. 00 16. .16 N

ATOM 1426 CA SER A 226 38. .530 -10. .237 -3. .171 1. 00 18. 33 C

ATOM 1427 C SER A 226 39. 888 -10. 211 - 3 869 1. 00 16. 37 C

ATOM 1428 O SER A 226 40. 552 -9. 180 -3. 904 1. 00 20. 10 O

ATOM 1429 CB SER A 226 38. 660 -10. 875 -1. 786 1. 00 18. 62 C

ATOM 1430 OG SER A 226 39. 433 -10. 054 -0. 932 1. 00 26. 62 O

ATOM 1431 N ALA A 227 40. 303 -11. 341 -4. 434 1. 00 16. 98 N

ATOM 1432 CA ALA A 227 41. 596 -11. 400 -5. 118 1. 00 16. 67 C

ATOM 1433 C ALA A 227 41. 742 -10. 382 -6. 249 1. 00 16. 21 C

ATOM 1434 O ALA A 227 42. 794 -9. 760 -6. 392 1. 00 15. 56 O

ATOM 1435 CB ALA A 227 41. 837 -12. 809 -5. 666 1. 00 16. 04 C

ATOM 1436 N ARG A 228 40. 696 -10. 206 -7. 055 1. 00 15. 90 N

ATOM 1437 CA ARG A 228 40. 773 -9. 277 -8. 184 1. 00 15. 82 C

ATOM 1438 C ARG A 228 41. 088 -7. 846 -7. 773 1. 00 18. 90 C

ATOM 1439 O ARG A 228 41. 725 -7. 100 -8. 526 1. 00 18. 60 O

ATOM 1440 CB ARG A 228 39. 470 — ^Q 298 -8. 991 1. 00 14. 59 C

ATOM 1441 CG ARG A 228 39. 140 -10. 644 -9. 615 1. 00 17. 61 C

ATOM 1442 CD ARG A 228 37. 823 -10. 580 -10. 377 1. 00 17. 75 C

ATOM 1443 NE ARG A 228 37. 933 — 9 796 -11. 604 1. 00 19. 73 N

ATOM 1444 CZ ARG A : 228 36. 899 -9. 263 -12. 253 1. 00 24. 60 C

ATOM 1445 NHl ARG A : 228 35. 668 -9. 424 -11. 789 1. 00 23. 83 N

ATOM 1446 NH2 ARG . A ; 228 37. 094 -8. 573 -13. 370 1. 00 22. 48 N

ATOM 1447 N VAL . A : 229 40. 649 _ ¹ J 461 -6. 579 1. 00 16. 27 N

ATOM 1448 CA VAL . A : 229 40. 902 -6. 110 -6. 103 1. 00 16. 16 C

ATOM 1449 C VAL , A : 229 42. 079 -6. 012 -5. 132 1. 00 19. 33 C

-69-

#10691216 v l

ATOM 1450 O VAL, A. 229 42.849 _ ς .053 -5.190 1.00 17.37 O

ATOM 1451 CB VAL , A . 229 39 .622 -5 .506 -5 .439 1 .00 18 .46 C

ATOM 1452 CG3 - VAL , A 229 39 .134 -6 .405 -4 .310 1 .00 15 .29 C

ATOM 1453 CGξ ! VAL , A . 229 39 .911 -4 .095 -4 .914 1 .00 19 .06 C

ATOM 1454 N SER A 230 42 .252 -7 .005 -4 .262 1 .00 17 .65 N

ATOM 1455 CA SER A 230 43 .336 -6 .927 -3 .281 1 .00 17 .49 C

ATOM 1456 C SER A 230 44 .742 -7 .212 -3 .794 1 .00 18 .87 C

ATOM 1457 O SER A 230 45 .701 -6 .625 -3 .299 1 .00 16 .90 O

ATOM 1458 CB SER A 230 43 .066 -7 .850 _ 2 .089 1 .00 17 .68 C

ATOM 1459 OG SER A 230 43 .267 -9 .203 -2 .437 1 .00 24 .08 O

ATOM 1460 N MET A 231 44 .881 -8 .100 - 4 .773 1 .00 16 .59 N

ATOM 1461 CA MET A 231 46 .220 -8 .423 -5 .264 1 .00 22 .01 C

ATOM 1462 C MET A 231 47 .028 -7 .240 -5 .777 1 .00 21 .30 C

ATOM 1463 O MET A 231 48 .250 -7 .237 -5 .669 1 .00 21 .33 O

ATOM 1464 CB MET A 231 46 .166 -9 .512 -6 .337 1 .00 23 .22 C

ATOM 1465 CG MET A 231 46 .230 -10 .921 -5 .765 1 .00 27 .57 C

ATOM 1466 SD MET A 231 47 .737 -11 .241 -4 .770 1 .00 23 .22 S

ATOM 1467 CE MET A 231 48 .943 -11 .238 -6 .038 1 .00 23 .66 C

ATOM 1468 N VAL A 232 46 .364 -6 .227 -6 .317 1 .00 23 .41 N

ATOM 1469 CA VAL A 232 47 .111 -5 .083 -6 .821 1 .00 27 .60 C

ATOM 1470 C VAL A 232 47 .871 -4 .427 -5 .658 1 .00 25 .01 C

ATOM 1471 O VAL A 232 48 .903 -3 .798 -5 .862 1 .00 28 .86 O

ATOM 1472 CB VAL A 232 46 .175 -4 .048 -7 .530 1 .00 29 .36 C

ATOM 1473 CGl VAL A 232 44 .996 -4 .770 -8 .183 1 .00 35 .08 C

ATOM 1474 CG2 VAL A 232 45 .700 -3 .003 -6 .565 1 .00 31 .05 C

ATOM 1475 N GLY A 233 47 .370 -4 .598 -4 .436 1 .00 25 .39 N

ATOM 1476 CA GLY A 233 48. .038 -4 , .020 -3 .277 1 .00 17 .34 C

ATOM 1477 C GLY A 233 49 .222 -4. .842 -2 .784 1 .00 19 .59 C

ATOM 1478 O GLY A 233 50. .088 -4. .336 _ 2 .068 1. .00 20. .02 O

ATOM 1479 N GLN A 234 49. ,272 -6. .116 -3. .165 1. .00 18. .78 N

ATOM 1480 CA GLN A 234 50. ,361 -6. .983 -2, .730 1. ,00 18. .45 C

ATOM 1481 C GLN A 234 51. .564 -6. 954 -3. , 661 1. .00 19. 54 C

ATOM 1482 O GLN A 234 52. .655 _ *7 364 -3. ,271 1. .00 16. .32 O

ATOM 1483 CB GLN A 234 49. 871 -8. 427 -2. 586 1. 00 23. 72 C

ATOM 1484 CG GLN A 234 48. 853 -8. 616 -1. 475 1. 00 24. 97 C

ATOM 1485 CD GLN A 234 48. 396 -10. 051 -1. 339 1. 00 28. 25 C

ATOM 1486 OEl GLN A 234 49. 210 -10. 968 -1. 256 1. 00 28. 36 O

ATOM 1487 NE2 GLN A 234 47. 081 -10. 253 -1. 308 1. 00 34. 75 N

ATOM 1488 N VAL A 235 51. 370 -6. 471 -4. 885 1. 00 21. 64 N

ATOM 1489 CA VAL A 235 52. 463 -6. 415 -5. 849 1. 00 23. 67 C

ATOM 1490 C VAL A 235 52. 787 -5. 005 -6. 331 1. 00 29. 50 C

ATOM 1491 O VAL A 235 52. 078 -4. 044 -6. 022 1. 00 30. 25 O

ATOM 1492 CB VAL A 235 52. 163 -7. 292 -7. 080 1. 00 22. 83 C

ATOM 1493 CGl VAL A 235 52. 069 -8. 751 -6. 663 1. 00 20. 90 C

ATOM 1494 CG2 VAL A 235 50. 860 -6. 849 -7. 733 1. 00 25. 12 C

ATOM 1495 N LYS A 236 53. 877 -4. 901 -7. 082 1. 00 27. 66 N

ATOM 1496 CA LYS A 236 54. 337 -3. 637 -7. 643 1. 00 29. 97 C

ATOM 1497 C LYS A 236 55. 117 -3. 974 -8. 905 1. 00 32. 61 C

ATOM 1498 O LYS A 236 55. 608 -5. 095 -9. 059 1. 00 27. 44 O

ATOM 1499 CB LYS A 236 55. 268 -2. 922 -6. 666 1. 00 28. 70 C

ATOM 1500 CG LYS A 236 56. 556 -3. 681 -6. 404 1. 00 33. 02 C

ATOM 1501 CD LYS A 236 57. 491 -2. 909 - 5 494 1. 00 36. 34 C

ATOM 1502 CE LYS A 236 58. 665 _ 2 771 -5. 070 1. 00 40. 55 C

ATOM 1503 NZ LYS A 236 59. 391 -4. 310 -6. 250 1. 00 44. 48 N

ATOM 1504 N GLN A 237 55. 237 010 -9. 808 1. 00 35. 12 N

ATOM 1505 CA GLN . A 237 55. 982 -3. 244 - 11. 035 1. 00 ■ 40. 38 C

ATOM 1506 C GLN . A . 237 57. 469 -3. 355 - 10. 727 1. 00 ^■ 42.. 26 C

-70-

» 10691216 v l

ATOM 1507 O GLKr A 237 58■ .011 -2.560 ~ 9> .962 1.00 ¹ 41.72 O

ATOM 1508 CB GLN F A 237 55 .734 -2.113 -12 .024 1.00 41 .59 C

ATOM 1509 CG GLN ( A 237 54 .290 -2.008 -12 .446 1.00 46 .95 C

ATOM 1510 CD GLN ! A 237 54 .105 -1.073 -13 .614 1.00 51 .77 C

ATOM 1511 OEl . GLN ^: A 237 54 .418 0.117 -13 .528 1.00 53 .87 O

ATOM 1512 NE2 I GLN ^' A 237 53 .598 -1.606 -14 .723 1.00 50 .39 N

ATOM 1513 N CYS A 238 58 .118 -4.350 -11 .322 1.00 45 .06 N

ATOM 1514 CA CYS A 238 59 .543 -4.581 -11 .114 1.00 50 .31 C

ATOM 1515 C CYS A 238 60 .391 -3.347 -11 .401 1.00 55 .20 C

ATOM 1516 O CYS A 238 60 .204 -2.674 -12 .416 1.00 54 .14 O

ATOM 1517 CB CYS A 238 60 .026 -5.731 -11 .998 1.00 49 .81 C

ATOM 1518 SG CYS A 238 59 .284 -7.324 -11 .624 1.00 46 .31 S

ATOM 1519 N GLU A 239 61 .326 -3.066 -10 .495 1.00 59 .74 N

ATOM 1520 CA GLU A 239 62 .228 -1.927 -10 .628 1.00 63 .53 C

ATOM 1521 C GLU A 239 61 .469 -0.606 -10 .589 1.00 64 .73 C

ATOM 1522 O GLU A 239 61 .270 -0.026 -9 .520 1.00 66 .94 O

ATOM 1523 CB GLU A 239 63 .012 -2.037 -11 .936 1.00 65 .26 C

ATOM 1524 CG GLU A 239 63 .757 -3.352 -12 .085 1.00 68 .22 C

ATOM 1525 CD GLU A 239 64 .385 -3.517 -13 .453 1.00 71 .01 C

ATOM 1526 OEl GLU A 239 65 .042 -4.555 -13 .679 1.00 72 .89 O

ATOM 1527 OE2 GLU A 239 64 .220 -2.612 -14 .302 1.00 72 .11 O

ATOM 1528 N PRO A 284 56 .254 -6.241 -15 .788 1.00 36 .86 N

ATOM 1529 CA PRO A 284 56 .103 -7.405 -14 .907 1.00 35 .63 C

ATOM 1530 C PRO A 284 56 .015 -6.975 -13 .446 1.00 32 .22 C

ATOM 1531 O PRO A 284 56 .575 -5.943 -13 .059 1.00 30 .38 O

ATOM 1532 CB PRO A 284 57 .363 -8.211 -15 .195 1.00 35 .88 C

ATOM 1533 CG PRO A 284 58 .382 -7.129 -15 .375 1.00 37 .97 C

ATOM 1534 CD PRO A 284 57 .650 -6.114 -16. .245 1.00 38. .20 C

ATOM 1535 N TYR A 285 55 .323 -7.768 -12. .637 1.00 28. .55 N

ATOM 1536 CA TYR A 285 55 .164 -7.445 -11. .228 1.00 26. , 70 C

ATOM 1537 C TYR A 285 55 .925 -8.357 -10. .286 1.00 27. .36 C

ATOM 1538 O TYR A 285 56. .246 -9.502 -10. .613 1.00 25. .87 O

ATOM 1539 CB TYR A 285 53. .688 -7.485 -10. .832 1.00 29. .86 C

ATOM 1540 CG TYR A 285 52. .834 -6.405 -11. .448 1.00 31. 99 C

ATOM 1541 CDl TYR A 285 52. .493 -6.444 -12. 801 1.00 35. 00 C

ATOM 1542 CD2 TYR A 285 52. .358 -5.343 -10. 675 1.00 32. 72 C

ATOM 1543 CEl TYR A 285 51. 697 -5.452 -13. 373 1.00 36. 58 C

ATOM 1544 CE2 TYR A 285 51. 560 -4.344 -11. 236 1.00 36. 29 C

ATOM 1545 CZ TYR A 285 51. 234 -4.406 -12. 585 1.00 38. 11 C

ATOM 1546 OH TYR A 285 50. 453 -3.424 -13. 148 1.00 41. 99 O

ATOM 1547 N THR A 286 56. 202 -7.831 -9. 101 1.00 21. 82 N

ATOM 1548 CA THR A 286 56. 878 -8.588 -8. 069 1.00 23. 68 C

ATOM 1549 C THR A 286 56. 232 -8.192 -6. 745 1.00 24. 47 C

ATOM 1550 O THR A 286 55. 433 -7.249 -6. 696 1.00 20. 75 O

ATOM 1551 CB THR A 286 58. 379 -8.287 -8. 033 1.00 22. 89 C

ATOM 1552 OGl THR A 286 59. 020 -9.204 -7. 137 1.00 24. 10 O

ATOM 1553 CG2 THR A 286 58. 624 -6.866 — 1 572 1.00 23. 37 C

ATOM 1554 N TRP A 287 56. 566 -8.907 -5. 677 1.00 22. 96 N

ATOM 1555 CA TRP A 287 55. 983 -8.620 -4. 374 1.00 24. 08 C

ATOM 1556 C TRP A 287 56. 382 -7.265 -3. 813 1.00 21. 86 C

ATOM 1557 O TRP A 287 57. 543 -6.871 -3. 862 1.00 18. 89 O

ATOM 1558 CB TRP A 287 56. 338 -9.734 -3. 387 1.00 25. 13 C

ATOM 1559 CG TRP A 287 55. 859 - 11.066 -3. 875 1.00 23. 94 C

ATOM 1560 CDl TRP A 287 56. 614 - 12.046 -4. 454 1.00 24. 56 C

ATOM 1561 CD2 TRP A 287 54. 500 - 11.518 -3. 934 1.00 24. 51 C

ATOM 1562 NEl TRP A 287 55. 807 - 13.077 -4. 876 1.00 24. 88 N

ATOM 1563 CE2 TRP A 287 54. 506 - 12.779 -4. 569 1.00 23. 99 C

-71-

# 10691216 v l

ATOM 1564 CE3 TRE' A 287 53.276 -10.978 -3.514 1.00 22.28 C

ATOM 1565 CZ2 TRF ¹ A 287 53 .336 -13.510 -4 .796 1.00 23 .34 C

ATOM 1566 CZ3 TRP ' A 287 52 .113 -11.704 -3 .737 1.00 23 .54 C

ATOM 1567 CH2 TRP ¹ A 287 52 .153 -12.958 -4 .374 1.00 24 .68 C

ATOM 1568 N ARG A 288 55 .398 -6.544 -3 .287 1.00 23 .70 N

ATOM 1569 CA ARG A 288 55 .646 -5.229 „ 2 .713 1.00 23 .30 C

ATOM 1570 C ARG A 288 56 .682 -5.285 -1 .584 1.00 23 .27 C

ATOM 1571 O ARG A 288 57 .504 -4.378 -1 .435 1.00 22 .72 O

ATOM 1572 CB ARG A 288 54 .332 -4.637 — 2 .186 1.00 24 .71 C

ATOM 1573 CG ARG A 288 54 .505 -3.355 -1 .388 1.00 27 .38 C

ATOM 1574 CD ARG A 288 55 .016 -2.217 ~ 2 .263 1.00 35 .57 C

ATOM 1575 NE ARG A 288 54 .042 -1.819 -3 .278 1.00 36 .13 N

ATOM 1576 CZ ARG A 288 54 .252 -0.860 -4 .177 1.00 38 .13 C

ATOM 1577 NHl ARG A 288 55 .406 -0.201 -4 .189 1.00 35 .22 N

ATOM 1578 NH2 ARG A 288 53 .306 -0.550 -5 .056 1.00 33 .86 N

ATOM 1579 N ILE A 289 56 .649 -6.354 -0 .796 1.00 24 .74 N

ATOM 1580 CA ILE A 289 57 .575 -6.492 0 .318 1.00 24 .98 C

ATOM 1581 C ILE A 289 57 .955 -7.945 0 .606 1.00 27 .14 C

ATOM 1582 O ILE A 289 57 .165 -8.861 0 .372 1.00 26 .14 O

ATOM 1583 CB ILE A 289 56 .956 -5.875 1 .602 1.00 25 .77 C

ATOM 1584 CGl ILE A 289 57 .989 -5.848 2 .730 1.00 28 .36 C

ATOM 1585 CG2 ILE A 289 55 .730 -6.684 2 .036 1.00 23 .70 C

ATOM 1586 CDl ILE A 289 57 .493 -5.163 3 .994 1.00 27 .52 C

ATOM 1587 N GLU A 290 59 .179 -8.153 1 .088 1.00 29 .57 N

ATOM 1588 CA GLU A 290 59 .638 -9.492 1 .464 1.00 33 .15 C

ATOM 1589 C GLU A 290 59 .438 -9.511 2 .970 1.00 32 .32 C

ATOM 1590 O GLU A 290 60 .236 -8.943 3 .710 1.00 29 .29 O

ATOM 1591 CB GLU A 290 61 .127 -9.693 1 .154 1.00 40 .56 C

ATOM 1592 CG GLU A 290 61. .479 -9.690 -0 .322 1.00 49. .96 C

ATOM 1593 CD GLU A 290 61. .424 -8.304 -0 .933 1.00 57. .50 C

ATOM 1594 OEl GLU A 290 62. .231 -7.443 -0 .517 1.00 61. .79 O

ATOM 1595 OE2 GLU A 290 60. .578 -8.073 - 1 _c .828 1.00 61. .43 O

ATOM 1596 N LEU A 291 58. , 366 -10.153 3. .419 1.00 32. ,19 N

ATOM 1597 CA LEU A 291 58. 051 -10.197 4. .839 1.00 34. 43 C

ATOM 1598 C LEU A 291 59. 167 -10.783 5. .710 1.00 35. 08 C

ATOM 1599 O LEU A 291 59. 319 -10.400 6. 867 1.00 33. 61 O

ATOM 1600 CB LEU A 291 56. 744 -10.968 5. 056 1.00 33. 16 C

ATOM 1601 CG LEU A 291 56. 064 -10.759 6. 415 1.00 35. 62 C

ATOM 1602 CDl LEU A 291 55. 822 -9.277 6. 639 1.00 35. 56 C

ATOM 1603 CD2 LEU A 291 54. 751 -11.524 6. 468 1.00 36. 46 C

ATOM 1604 N ALA A 292 59. 957 -11.694 5. 150 1.00 37. 49 N

ATOM 1605 CA ALA A 292 61. 044 -12.323 5. 897 1.00 38. 38 C

ATOM 1606 C ALA A 292 62. 025 -11.310 6. 486 1.00 38. 69 C

ATOM 1607 O ALA A 292 62. 653 -11.569 7. 514 1.00 36. 06 O

ATOM 1608 CB ALA A 292 61. 792 -13.308 5. 001 1.00 39. 60 C

ATOM 1609 N LYS A 293 62. 145 -10.155 5. 840 1.00 39. 29 N

ATOM 1610 CA LYS A 293 63. 059 -9.113 6. 300 1.00 40. 91 C

ATOM 1611 C LYS A 293 62. 559 -8.359 7. 528 1.00 40. 01 C

ATOM 1612 O LYS A 293 63. 285 -7.546 8. 102 1.00 41. 44 O

ATOM 1613 CB LYS A 293 63. 320 -8.112 5. 172 1.00 43. 98 C

ATOM 1614 CG LYS A 293 63. 994 -8.716 3. 958 1.00 48. 38 C

ATOM 1615 CD LYS A 293 64. 268 -7.663 2. 899 1.00 51. 31 C

ATOM 1616 CE LYS A 293 64. 995 -8.272 1. 716 1.00 52. 87 C

ATOM 1617 NZ LYS A 293 66. 256 -8.936 2. 150 1.00 53. 92 N

ATOM 1618 N THR . A 294 61. 323 -8.627 7. 931 1.00 36. 01 N

ATOM 1619 CA THR . A 294 60. 744 -7.950 9. 083 1.00 31. 40 C

ATOM 1620 C THR . A 294 60. 766 -8.817 10. 336 i. oo : 29. 48 C

-72-

( ⁽ 10691216 vl

ATOM 1621 O THR A. 294 60.321 -8.395 11.402 1.00 28.18 O

ATOM 1622 CB THR A - 294 59 .289 -7 .549 8 .797 1 .00 34 .96 C

ATOM 1623 OGl . THR A 294 58 .469 -8 .723 8 .721 1 .00 31 .27 O

ATOM 1624 CG2 : THR A 294 59 .204 -6 .808 7 .473 1 .00 37 .20 C

ATOM 1625 N GLU A 295 61 .300 -10 .026 10 .209 1 .00 26 .38 N

ATOM 1626 CA GLU A 295 61 .346 -10 .955 11 .330 1 .00 25 .43 C

ATOM 1627 C GLU A 295 61 .953 -10 .369 12 .605 1 .00 24 .06 C

ATOM 1628 O GLU A 295 61 .522 -10 .703 13 .709 1 .00 26 .19 O

ATOM 1629 CB GLU A 295 62 .110 -12 .214 10 .927 1 .00 29 .11 C

ATOM 1630 CG GLU A 295 61 .832 -13 .401 11 .821 1 .00 36 .07 C

ATOM 1631 CD GLU A 295 62 .641 -14 .613 11 .424 1 .00 40 .84 C

ATOM 1632 OEl GLU A 295 62 .727 -14 .893 10 .208 1 .00 43 .65 O

ATOM 1633 OE2 GLU A 295 63 .183 -15 .284 12 .328 1 .00 44 .13 O

ATOM 1634 N LYS A 296 62 .946 -9 .494 12 .456 1 .00 22 .44 N

ATOM 1635 CA LYS A 296 63 .596 -8 .877 13 .610 1 .00 22 .67 C

ATOM 1636 C LYS A 296 62 .618 -8 .047 14 .440 1 .00 22 .33 C

ATOM 1637 O LYS A 296 62 .909 -7 .698 15 .584 1 .00 22 .36 O

ATOM 1638 CB LYS A 296 64 .757 -7 .979 13 .162 1 .00 25 .65 C

ATOM 1639 CG LYS A 296 64 .322 -6 .681 12 .494 1 .00 31 .08 C

ATOM 1640 CD LYS A 296 65 .509 -5 .773 12 .176 1 .00 35 .06 C

ATOM 1641 CE LYS A 296 66 .387 -6 .364 11 .084 1 .00 39 .77 C

ATOM 1642 NZ LYS A 296 65 .627 -6 .529 9 .806 1 .00 43 .88 N

ATOM 1643 N TYR A 297 61 .461 _ "7 .734 13 .867 1 .00 21 .69 N

ATOM 1644 CA TYR A 297 60 .454 -6 .931 14 .563 1 .00 20 .68 C

ATOM 1645 C TYR A 297 59 .276 -7 .724 15 .132 1 .00 21 .43 C

ATOM 1646 O TYR A 297 58 .479 -7 .181 15 .896 1 .00 21 .62 O

ATOM 1647 CB TYR A 297 59 .912 -5 .850 13 .622 1 .00 21 .80 C

ATOM 1648 CG TYR A 297 60 .967 -4 .871 13 .165 1 .00 22 .04 C

ATOM 1649 CDl TYR A 297 61. .573 -4 .004 14. .071 1. .00 18. .60 C

ATOM 1650 CD2 TYR A 297 61. .380 -4 .831 11. .833 1. .00 20. .46 C

ATOM 1651 CEl TYR A 297 62. .566 -3. .121 13. .667 1. .00 22. .67 C

ATOM 1652 CE2 TYR A 297 62. .376 -3. .948 11. .418 1. .00 26. .04 C

ATOM 1653 CZ TYR A 297 62. 962 -3. .098 12. ,344 1. 00 22. 57 C

ATOM 1654 OH TYR A 297 63. 944 -2. .225 11. .951 1. 00 29. 02 O

ATOM 1655 N TRP A 298 59. 170 -9. 003 14. 778 1. 00 21. 11 N

ATOM 1656 CA TRP A 298 58. 059 -9. .820 15. 253 1. 00 22. 41 C

ATOM 1657 C TRP A 298 57. 943 -9. 888 16. 767 1. 00 24. 35 C

ATOM 1658 O TRP A 298 56. 840 -9. 824 17. 308 1. 00 22. 97 O

ATOM 1659 CB TRP A 298 58. 148 -11. 237 14. 675 1. 00 25. 38 C

ATOM 1660 CG TRP A 298 58. 063 -11. 276 13. 175 1. 00 26. 95 C

ATOM 1661 CDl TRP A 298 57. 846 -10. 218 12. 337 1. 00 26. 45 C

ATOM 1662 CD2 TRP A 298 58. 211 -12. 429 12. 337 1. 00 30. 19 C

ATOM 1663 NEl TRP A 298 57. 854 -10. 641 11. 031 1. 00 30. 61 N

ATOM 1664 CE2 TRP A 298 58. 076 -11. 993 11. 001 1. 00 31. 26 C

ATOM 1665 CE3 TRP A 298 58. 447 -13. 790 12. 585 1. 00 32. 80 C

ATOM 1666 CZ2 TRP A 298 58. 171 -12. 869 9. 912 1. 00 32. 87 C

ATOM 1667 CZ3 TRP A 298 58. 541 -14. 664 11. 500 1. 00 32. 53 C

ATOM 1668 CH2 TRP A 298 58. 403 -14. 196 10. 182 1. 00 34. 66 C

ATOM 1669 N ASP A 299 59. 070 -10. 018 17. 457 1. 00 21. 39 N

ATOM 1670 CA ASP A 299 59. 034 -10. 078 18. 910 1. 00 24. 89 C

ATOM 1671 C ASP A 299 58. 392 -8. 819 19. 490 1. 00 24. 11 C

ATOM 1672 O ASP . A 299 57. 642 -8. 884 20. 467 1. 00 22. 64 O

ATOM 1673 CB ASP . A 299 60. 443 -10. 219 19. 484 1. 00 27. 59 C

ATOM 1674 CG ASP . A 299 60. 443 -10. 264 20. 998 1. 00 30. 26 C

ATOM 1675 ODl ASP . A 299 60. 035 -11. 299 21. 561 1. 00 29. 61 O

ATOM 1676 OD2 ASP . A . 299 60. 831 -9. 259 21. 627 1. 00 32. 85 O

ATOM 1677 N GLY , A 300 58. 699 -7. 672 18. 893 1. 00 22. 43 N

-73-

# 10691216 vl

ATOM 1678 CA GLY A 300 58.135 -6.423 19.379 1.00 18.10 C

ATOM 1679 C GLY A 300 56 .644 -6 .354 19 .106 1.00 18 .45 C

ATOM 1680 O GLY A 300 55 .882 -5 .779 19 .882 1.00 18 .47 O

ATOM 1681 N TRP A 301 56 .219 -6 .946 17 .997 1.00 18 .75 N

ATOM 1682 CA TRP A 301 54 .805 -6 .935 17 .654 1.00 17 .80 C

ATOM 1683 C TRP A 301 53 .977 -7 .734 18 .649 1.00 19 .25 C

ATOM 1684 O TRP A 301 52 .940 -7 .270 19 .121 1.00 17 .13 O

ATOM 1685 CB TRP A 301 54 .563 -7 .555 16 .276 1.00 18 .96 C

ATOM 1686 CG TRP A 301 55 .145 -6 .831 15 .105 1.00 16 .76 C

ATOM 1687 CDl TRP A 301 55 .761 -5 .610 15 .104 1.00 18 .10 C

ATOM 1688 CD2 TRP A 301 55 .158 -7 .289 13 .750 1.00 18 .43 C

ATOM 1689 NEl TRP A 301 56 .157 -5 .283 13 .829 1.00 17 .03 N

ATOM 1690 CE2 TRP A 301 55 .800 -6 .296 12 .979 1.00 16 .96 C

ATOM 1691 CE3 TRP A 301 54 .687 -8 .447 13 . Ill 1.00 18 .26 C

ATOM 1692 CZ2 TRP A 301 55 .987 -6 .424 11 .601 1.00 16 .89 C

ATOM 1693 CZ3 TRP A 301 54 .873 -8 .573 11 .742 1.00 18 .21 C

ATOM 1694 CH2 TRP A 301 55 .521 -7 .563 11 .001 1.00 17 .82 C

ATOM 1695 N PHE A 302 54 .449 -8 .933 18 .980 1.00 17 .84 N

ATOM 1696 CA PHE A 302 53 .672 -9 .825 19 .832 1.00 19 .57 C

ATOM 1697 C PHE A 302 53 .969 -9 .976 21 .318 1.00 18 .64 C

ATOM 1698 O PHE A 302 53 .086 -10 .402 22 .071 1.00 18 .42 O

ATOM 1699 CB PHE A 302 53 .674 -11 .226 19 .206 1.00 18 .58 C

ATOM 1700 CG PHE A 302 53 .310 -11 .236 17 .746 1.00 20 .81 C

ATOM 1701 CDl PHE A 302 52 .050 -10 .816 17 .324 1.00 19 .85 C

ATOM 1702 CD2 PHE A 302 54 .229 -11 .663 16 .791 1.00 21 .87 C

ATOM 1703 CEl PHE A 302 51 .711 -10 .820 15 .968 1.00 20 .65 C

ATOM 1704 CE2 PHE A 302 53 .900 -11 .671 15. .429 1.00 20 .49 C

ATOM 1705 CZ PHE A 302 52 .638 -11 .248 15. .019 1.00 17 .49 C

ATOM 1706 N ARG A 303 55 .181 -9 .655 21. .755 1.00 20. .68 N

ATOM 1707 CA ARG A 303 55 .510 -9 .838 23. .167 1.00 20, .58 C

ATOM 1708 C ARG A 303 54. .571 -9. .088 24. 121 1.00 18. .43 C

ATOM 1709 O ARG A 303 54. .505 -7 , .861 24. 113 1.00 17. .35 O

ATOM 1710 CB ARG A 303 56. .970 -9. .447 23. 430 1.00 25. 09 C

ATOM 1711 CG ARG A 303 57. .427 -9. .765 24. 849 1.00 31. 62 C

ATOM 1712 CD ARG A 303 58. .927 -9. 570 25. 041 1.00 39. 26 C

ATOM 1713 NE ARG A 303 59. .716 -10. 555 24. 304 1.00 45. 46 N

ATOM 1714 CZ ARG A 303 59. 614 -11. 871 24. 467 1.00 47. 43 C

ATOM 1715 NHl ARG A 303 58. 752 -12. 372 25. 344 1.00 50. 74 N

ATOM 1716 NH2 ARG A 303 60. 376 -12. 690 23. 754 1.00 46. 45 N

ATOM 1717 N GLY A 304 53. 841 -9. 844 24. 938 1.00 17. 98 N

ATOM 1718 CA GLY A 304 52. 913 -9. 248 25. 890 1.00 17. 00 C

ATOM 1719 C GLY A 304 51. 639 -8. 707 25. 257 1.00 18. 08 C

ATOM 1720 O GLY A 304 50. 843 -8. 035 25. 916 1.00 14. 62 O

ATOM 1721 N LEU A 305 51. 429 -9. 017 23. 981 1.00 17. 30 N

ATOM 1722 CA LEU A 305 50. 256 -8. 522 23. 260 1.00 15. 72 C

ATOM 1723 C LEU A 305 48. 911 -8. 904 23. 871 1.00 13. 98 C

ATOM 1724 O LEU A 305 47. 989 -8. 086 23. 909 1.00 14. 00 O

ATOM 1725 CB LEU A 305 50. 291 -8. 995 21. 805 1.00 16. 60 C

ATOM 1726 CG LEU A 305 49. 287 -8. 337 20. 848 1.00 19. 49 C

ATOM 1727 CDl LEU A 305 49. 673 -6. 880 20. 644 1.00 18. 08 C

ATOM 1728 CD2 LEU A 305 49. 296 -9. 056 19. 507 1.00 18. 15 C

ATOM 1729 N SER A 306 48. 777 -10. 139 24. 336 1.00 15. 08 N

ATOM 1730 CA SER A 306 47. 498 -10. 545 24. 907 1.00 14. 89 C

ATOM 1731 C SER A 306 47. 103 - 9 694 26. 110 1.00 13. 85 C

ATOM 1732 O SER A 306 45. 992 -9. 170 26. 160 1.00 16. 59 O

ATOM 1733 CB SER A . 306 47. 520 -12. 028 25. 260 1.00 14. 63 C

ATOM 1734 OG SER A : 306 47. 461 -12. 804 24. 070 1.00 11. 99 O

-74-

» 10691216 v l

ATOM 1735 N ASN ^■ Ά. 307 48.010 -S>.527 27.065 1.00' 13.22 N

ATOM 1736 CA ASN A . 307 47 .693 -8 .715 28 .238 1 .00 15 .96 C

ATOM 1737 C ASN A . 307 47 .587 -7 .236 27 .870 1 .00 15 .89 C

ATOM 1738 O ASN A - 307 46 .845 -6 .483 28 .497 1 .00 14 .67 O

ATOM 1739 CB ASN A 307 48 .742 -8 .944 29 .330 1 .00 17 .02 C

ATOM 1740 CG ASN A 307 48 .562 -10 .292 30 .024 1 .00 20 .28 C

ATOM 1741 ODl ASN A 307 49 .485 -10 .827 30 .640 1 .00 24 .97 O

ATOM 1742 ND2 ASN A 307 47 .357 -10 .837 29 .929 1 .00 17 .79 N

ATOM 1743 N LEU A 308 48 .320 -6 .831 26 .838 1 .00 16 .03 N

ATOM 1744 CA LEU A 308 48 .289 -5 .448 26 .377 1 .00 16 .90 C

ATOM 1745 C LEU A 308 46 .878 -5 .163 25 .846 1 .00 17 .30 C

ATOM 1746 O LEU A 308 46 .285 -4 .123 26 .128 1 .00 14 .82 O

ATOM 1747 CB LEU A 308 49 .328 -5 .264 25 .271 1 .00 21 .81 C

ATOM 1748 CG LEU A 308 49 .881 -3 .862 25 .041 1 .00 26 .54 C

ATOM 1749 CDl LEU A 308 50 .516 -3 .344 26 .327 1 .00 27 .16 C

ATOM 1750 CD2 LEU A 308 50 .915 -3 .909 23 .913 1 .00 25 .12 C

ATOM 1751 N PHE A 309 46 .358 -6 .112 25 .073 1 .00 14 .40 N

ATOM 1752 CA PHE A 309 45 .017 -6 .054 24 .493 1 .00 16 .51 C

ATOM 1753 C PHE A 309 43 .981 -5 .935 25 .620 1 .00 15 .97 C

ATOM 1754 O PHE A 309 43 .146 -5 .024 25 .630 1 .00 16 .32 O

ATOM 1755 CB PHE A 309 44 .795 -7 .346 23 .679 1 .00 13 .23 C

ATOM 1756 CG PHE A 309 43 .366 -7 .593 23 .250 1 .00 17 .71 C

ATOM 1757 CDl PHE A 309 42 .787 -6 .856 22 .220 1 .00 14 .13 C

ATOM 1758 CD2 PHE A 309 42 .628 -8 .625 23 .829 1 .00 11 .86 C

ATOM 1759 CEl PHE A 309 41 .500 -7 .150 21 .765 1 .00 15 .58 C

ATOM 1760 CE2 PHE A 309 41 .338 -8 .929 23 .385 1 .00 13 .49 C

ATOM 1761 CZ PHE A 309 40 .773 -8 .192 22 .349 1 .00 15 .08 C

ATOM 1762 N LEU A 310 44. .055 -6 .852 26 .580 1. .00 16. .15 N

ATOM 1763 CA LEU A 310 43. .128 -6 .874 27 .706 1. .00 16. .27 C

ATOM 1764 C LEU A 310 43. .110 -5. .585 28. .530 1. .00 19. .29 C

ATOM 1765 O LEU A 310 42, .066 -5 .201 29 .051 1. .00 20. .70 O

ATOM 1766 CB LEU A 310 43. .457 -8. .058 28. .625 1. .00 17. .40 C

ATOM 1767 CG LEU A 310 43. .295 -9. .455 28. .008 1. .00 15. .86 C

ATOM 1768 CDl LEU A 310 43. 771 -10. .521 28. .989 1. 00 16. 09 C

ATOM 1769 CD2 LEU A 310 41. 837 -9. .674 27. , 631 1. 00 12. 13 C

ATOM 1770 N SER A 311 44. 256 -4. .918 28. 636 1. 00 17. 31 N

ATOM 1771 CA SER A 311 44. 359 -3. 693 29. 421 1. 00 21. 24 C

ATOM 1772 C SER A 311 43. 758 -2. 446 28. 772 1. 00 19. 92 C

ATOM 1773 O SER A 311 43. 470 -1. 476 29. 471 1. 00 19. 51 O

ATOM 1774 CB SER A 311 45. 821 -3. 409 29. 766 1. 00 22. 07 C

ATOM 1775 OG SER A 311 46. 511 -2. 915 28. 631 1. 00 34. 54 O

ATOM 1776 N CYS A 312 43. 568 -2. 456 27. 452 1. 00 17. 20 N

ATOM 1777 CA CYS A 312 42. 993 -1. 287 26. 772 1. 00 17. 81 C

ATOM 1778 C CYS A 312 41. 593 -1. 005 27. 324 1. 00 15. 71 C

ATOM 1779 O CYS A 312 40. 718 -1. 865 27. 279 1. 00 15. 56 O

ATOM 1780 CB CYS A 312 42. 941 -1. 520 25. 256 1. 00 17. 06 C

ATOM 1781 SG CYS A 312 44. 589 -1. 677 24. 485 1. 00 18. 46 S

ATOM 1782 N PRO A 313 41. 368 0. 217 27. 843 1. 00 20. 34 N

ATOM 1783 CA PRO A 313 40. 086 0. 634 28. 424 1. 00 19. 28 C

ATOM 1784 C PRO A 313 38. 930 0. 947 27. 473 1. 00 20. 89 C

ATOM 1785 O PRO A 313 38. 286 1. 992 27. 590 1. 00 20. 46 O

ATOM 1786 CB PRO A 313 40. 484 1. 836 29. 275 1. 00 19. 81 C

ATOM 1787 CG PRO . A 313 41. 517 2. 499 28. 414 1. 00 20. 49 C

ATOM 1788 CD PRO . A 313 42. 356 1. 315 27. 917 1. 00 22. 23 C

ATOM 1789 N ILE . A 314 38. 659 0. 033 26. 546 1. 00 19. 62 N

ATOM 1790 CA ILE . A 314 37. 566 0. 186 25. 584 1. 00 16. 87 C

ATOM 1791 C ILE . A 314 37. 015 -1. 197 25. 285 1. 00 15. 62 C

-75-

»10691216 vl

ATOM 1792 O ILE A 314 37.713 -2.193 25.476 1.00 17.16 O

ATOM 1793 CB ILE A 314 38 .054 0 .754 24 .237 1 .00 18 .79 C

ATOM 1794 CGl ILE A 314 39 .250 -0 .077 23 .744 1 .00 22 .01 C

ATOM 1795 CG; > ILE A 314 38 .411 2 .223 24 .380 1 .00 23 .11 C

ATOM 1796 CD3 - ILE A 314 39 .733 0 .281 22 .383 1 .00 25 .58 C

ATOM 1797 N PRO A 315 35 .761 -1 .281 24 .809 1 .00 16 .25 N

ATOM 1798 CA PRO A 315 35 .175 -2 .589 24 .487 1 .00 15 .63 C

ATOM 1799 C PRO A 315 36 .060 .251 23 .429 1 .00 15 .25 C

ATOM 1800 O PRO A 315 36 .565 -2 .575 22 .533 1 .00 10 .57 O

ATOM 1801 CB PRO A 315 33 .789 -2 .223 23 .943 1 .00 16 .28 C

ATOM 1802 CG PRO A 315 33 .448 -0 .985 24 .729 1 .00 17 .96 C

ATOM 1803 CD PRO A 315 34 .755 -0 .209 24 .670 1 .00 14 .46 C

ATOM 1804 N LYS A 316 36 .223 -4 .567 23 .517 1 .00 13 .08 N

ATOM 1805 CA LYS A 316 37 .098 -5 .288 22 .599 1 .00 16 .26 C

ATOM 1806 C LYS A 316 36 .459 -6 .502 21 .936 1 .00 16 .74 C

ATOM 1807 O LYS A 316 35 .573 -7 .148 22 .499 1 .00 14 .46 O

ATOM 1808 CB LYS A 316 38 .356 _ CJ .736 23 .355 1 .00 15 .66 C

ATOM 1809 CG LYS A 316 39 .205 -4 .579 23 .877 1 .00 17 .61 C

ATOM 1810 CD LYS A 316 40 .269 .046 24 .858 1 .00 14 .72 C

ATOM 1811 CE LYS A 316 39 .676 -5 .417 26 .210 1 .00 14 .13 C

ATOM 1812 NZ LYS A 316 39 .093 -4 .232 26 .915 1 .00 14 .13 N

ATOM 1813 N LEU A 317 36 .943 -6 .821 20 .742 1 .00 16 .43 N

ATOM 1814 CA LEU A 317 36 .431 -7 .958 19 .994 1 .00 15 .23 C

ATOM 1815 C LEU A 317 37 .565 -8 .813 19 .449 1 .00 15 .38 C

ATOM 1816 O LEU A 317 38 .504 -8 .299 18 .846 1 .00 12 .56 O

ATOM 1817 CB LEU A 317 35 .574 _ ₇ .472 18 .823 1 .00 16 .03 C

ATOM 1818 CG LEU A 317 35 .024 — o .525 17 .851 1 .00 15 .85 C

ATOM 1819 CDl LEU A 317 34 .112 -9 .505 18. .611 1 .00 17 .87 C

ATOM 1820 CD2 LEU A 317 34. .247 -7 .824 16. .731 1 .00 16 .71 C

ATOM 1821 N LEU A 318 37, .488 -10 .117 19. .676 1, .00 12. .50 N

ATOM 1822 CA LEU A 318 38. .492 -11. .018 19. .126 1. .00 12. .30 C

ATOM 1823 C LEU A 318 37. .761 -11. .975 18. 187 1. .00 14. .34 C

ATOM 1824 O LEU A 318 36. .798 -12. .639 18. 587 1. .00 15. .80 O

ATOM 1825 CB LEU A 318 39. .184 -11. .835 20. 213 1. .00 12. .69 C

ATOM 1826 CG LEU A 318 40. 092 -12. .935 19. 634 1. 00 9. 89 C

ATOM 1827 CDl LEU A 318 41. 214 -12. .307 18. 806 1. 00 12. 40 C

ATOM 1828 CD2 LEU A 318 40. 690 -13. 752 20. 781 1. 00 16. 37 C

ATOM 1829 N LEU A 319 38. 210 -12. 032 16. 942 1. 00 13. 47 N

ATOM 1830 CA LEU A 319 37. 612 -12. 927 15. 965 1. 00 17. 61 C

ATOM 1831 C LEU A 319 38. 610 -14. 034 15. 644 1. 00 16. 90 C

ATOM 1832 O LEU A 319 39. 755 -13. 764 15. 272 1. 00 15. 23 O

ATOM 1833 CB LEU A 319 37. 256 -12. 164 14. 686 1. 00 16. 06 C

ATOM 1834 CG LEU A 319 36. 227 -11. 035 14. 853 1. 00 18. 75 C

ATOM 1835 CDl LEU A 319 35. 986 -10. 365 13. 498 1. 00 18. 62 C

ATOM 1836 CD2 LEU A 319 34. 929 -11. 585 15. 401 1. 00 16. 91 C

ATOM 1837 N LEU A 320 38. 180 -15. 280 15. 808 1. 00 17. 19 N

ATOM 1838 CA LEU A 320 39. 045 -16. 417 15. 509 1. 00 17. 49 C

ATOM 1839 C LEU A 320 38. 565 -17. 095 14. 236 1. 00 20. 03 C

ATOM 1840 O LEU A 320 37. 364 -17. 270 14. 034 1. 00 24. 46 O

ATOM 1841 CB LEU A 320 39. 036 -17. 429 16. 661 1. 00 16. 67 C

ATOM 1842 CG LEU A 320 39. 623 -16. 933 17. 989 1. 00 18. 01 C

ATOM 1843 CDl LEU A 320 39. 543 -18. 043 19. 023 1. 00 21. 52 C

ATOM 1844 CD2 LEU . A 320 41. 071 -16. 495 17. 782 1. 00 21. 66 C

ATOM 1845 N ALA . A 321 39. 507 -17. 459 13. 374 1. 00 20. 78 N

ATOM 1846 CA ALA . A 321 39. 188 -18. 134 12. 120 1. 00 23. 16 C

ATOM 1847 C ALA . A : 321 40. 257 -19. 197 11. 897 1. 00 25. 25 C

ATOM 1848 O ALA . A : 321 40. 015 -20. 381 12. 119 1. 00 27. 55 O

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« 10691216 v l

ATOM 1849 CB ALA A. 321 39.178 -17.137 10.967 1.00' 23.05 C

ATOM 1850 N GLY A . 322 41 .441 -18 .763 11 .473 1.00 24 .91 N

ATOM 1851 CA GLY A . 322 42 .541 -19 .686 11 .256 1.00 24 .48 C

ATOM 1852 C GLY A . 322 43 .115 -20 .158 12 .584 1.00 26 .57 C

ATOM 1853 O GLY A 322 43 .567 -21 .296 12 .705 1.00 30 .22 O

ATOM 1854 N VAL A 323 43 .096 -19 .285 13 .588 1.00 21 .50 N

ATOM 1855 CA VAL A 323 43 .606 -19 .637 14 .908 1.00 19 .52 C

ATOM 1856 C VAL A 323 42 .502 -20 .397 15 .630 1.00 19 .57 C

ATOM 1857 O VAL A 323 41 .379 -19 .908 15 .765 1.00 18 .58 O

ATOM 1858 CB VAL A 323 43 .993 -18 .379 15 .711 1.00 18 .00 C

ATOM 1859 CGl VAL A 323 44 .519 -18 .778 17 .090 1.00 15 .48 C

ATOM 1860 CG2 VAL A 323 45 .047 -17 .594 14 .952 1.00 17 .42 C

ATOM 1861 N ASP A 324 42 .823 -21 .594 16 .103 1.00 21 .52 N

ATOM 1862 CA ASP A 324 41 .831 -22 .437 16 .764 1.00 21 .06 C

ATOM 1863 C ASP A 324 41 .795 -22 .399 18 .286 1.00 20 .53 C

ATOM 1864 O ASP A 324 40 .938 -23 .038 18 .895 1.00 24 .13 O

ATOM 1865 CB ASP A 324 42 .012 -23 .886 16 .292 1.00 26 .72 C

ATOM 1866 CG ASP A 324 43 .372 -24 .460 16 .669 1.00 31 .50 C

ATOM 1867 ODl ASP A 324 44 .343 -23 .680 16 .771 1.00 30 .04 O

ATOM 1868 OD2 ASP A 324 43 .472 -25 .695 16 .850 1.00 31 .44 O

ATOM 1869 N ARG A 325 42 .702 -21 .654 18 .910 1.00 16 .84 N

ATOM 1870 CA ARG A 325 42 .721 -21 .593 20 .371 1.00 17 .80 C

ATOM 1871 C ARG A 325 43 .188 -20 .266 20 .940 1.00 15 .60 C

ATOM 1872 O ARG A 325 43 .970 -19 .546 20 .320 1.00 15 .36 O

ATOM 1873 CB ARG A 325 43 .672 -22 .648 20 .951 1.00 18 .58 C

ATOM 1874 CG ARG A 325 43 .521 -24 .062 20 .451 1.00 27 .24 C

ATOM 1875 CD ARG A 325 44 .719 -24 .853 20 .954 1.00 27 .71 C

ATOM 1876 NE ARG A 325 44 .629 -26. .281 20 .685 1.00 32 .67 N

ATOM 1877 CZ ARG A 325 45. .529 -27. .162 21. .108 1.00 33. .73 C

ATOM 1878 NHl ARG A 325 46. .578 -26. .747 21. .813 1.00 29. .24 N

ATOM 1879 NH2 ARG A 325 45. .384 -28. .450 20. .830 1.00 36. .08 N

ATOM 1880 N LEU A 326 42. .728 -19. .968 22. 151 1.00 16. ,47 N

ATOM 1881 CA LEU A 326 43. 157 -18. 764 22. 859 1.00 16. .66 C

ATOM 1882 C LEU A 326 44. 406 -19. 211 23. 608 1.00 18. .54 C

ATOM 1883 O LEU A 326 44. 633 -20. 412 23. 757 1.00 17. 93 O

ATOM 1884 CB LEU A 326 42. 119 -18. 337 23. 896 1.00 17. 67 C

ATOM 1885 CG LEU A 326 40. 726 -17. 924 23. 427 1.00 20. 49 C

ATOM 1886 CDl LEU A 326 39. 839 -17. 692 24. 655 1.00 17. 54 C

ATOM 1887 CD2 LEU A 326 40. 830 -16. 663 22. 566 1.00 18. 50 C

ATOM 1888 N ASP A 327 45. 224 -18. 268 24. 068 1.00 14. 52 N

ATOM 1889 CA ASP A 327 46. 392 -18. 654 24. 845 1.00 16. 63 C

ATOM 1890 C ASP A 327 45. 947 -18. 569 26. 296 1.00 17. 05 C

ATOM 1891 O ASP A 327 44. 779 -18. 281 26. 570 1.00 18. 09 O

ATOM 1892 CB ASP A 327 47. 599 -17. 731 24. 577 1.00 14. 93 C

ATOM 1893 CG ASP A 327 47. 263 -16. 252 24. 688 1.00 15. 54 C

ATOM 1894 ODl ASP A 327 46. 221 -15. 911 25. 289 1.00 17. 45 O

ATOM 1895 OD2 ASP A 327 48. 063 -15. 429 24. 176 1.00 14. 74 O

ATOM 1896 N LYS A 328 46. 849 -18. 835 27. 228 1.00 18. 65 N

ATOM 1897 CA LYS A 328 46. 487 -18. 783 28. 640 1.00 20. 74 C

ATOM 1898 C LYS A 328 46. 016 -17. 397 29. 060 1.00 16. 97 C

ATOM 1899 O LYS A 328 45. 026 -17. 273 29. 772 1.00 16. 78 O

ATOM 1900 CB LYS A 328 47. 672 -19. 188 29. 513 1.00 26. 69 C

ATOM 1901 CG LYS A 328 48. 199 -20. 574 29. 224 1.00 35. 24 C

ATOM 1902 CD LYS A 328 49. 450 -20. 865 30. 044 1.00 40. 47 C

ATOM 1903 CE LYS A 328 49. 969 -22. 257 29. 746 1.00 43. 81 C

ATOM 1904 NZ LYS A 328 48. 911 -23. 280 29. 982 1.00 44. 28 N

ATOM 1905 N ASP A 329 46. 719 -16. 354 28. 623 1.00 17. 24 N

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1* 10691216 vl

ATOM 1906 CA ASP A 329 46.333 -14.992 29.005 1.00 16.77 C

ATOM 1907 C ASP A 329 44 .912 -14 .609 28 .582 1 .00 15 .98 C

ATOM 1908 O ASP A 329 44 .160 -14 .040 29 .372 1 .00 16 .57 O

ATOM 1909 CB ASP A 329 47 .314 -13 .955 28 .437 1 .00 16 .47 C

ATOM 1910 CG ASP A 329 48 .701 -14 .051 29 .060 1 .00 24 .79 C

ATOM 1911 ODl ASP A 329 48 .800 -14 .447 30 .240 1 .00 18 .21 O

ATOM 1912 OD2 ASP A 329 49 .691 -13 .718 28 .369 1 .00 24 .60 O

ATOM 1913 N LEU A 330 44 .553 -14 .907 27 .335 1 .00 14 .92 N

ATOM 1914 CA LEU A 330 43 .221 -14 .576 26 .823 1 .00 16 .31 C

ATOM 1915 C LEU A 330 42 .137 -15 .458 27 .422 1 .00 16 .65 C

ATOM 1916 O LEU A 330 40 .997 -15 .027 27 .604 1 .00 14 .89 O

ATOM 1917 CB LEU A 330 43 .199 -14 .695 25 .297 1 .00 13 .16 C

ATOM 1918 CG LEU A 330 44 .133 -13 .704 24 .588 1 .00 17 .17 C

ATOM 1919 CDl LEU A 330 44 .118 -13 .948 23 .074 1 .00 19 .51 C

ATOM 1920 CD2 LEU A 330 43 .683 -12 .283 24 .918 1 .00 13 .64 C

ATOM 1921 N THR A 331 42 .484 -16 .705 27 .714 1 .00 15 .54 N

ATOM 1922 CA THR A 331 41 .514 -17 .610 28 .308 1 .00 17 .21 C

ATOM 1923 C THR A 331 41 .089 -17 .011 29 .645 1 .00 14 .23 C

ATOM 1924 O THR A 331 39 .898 -16 .942 29 .953 1 .00 13 .58 O

ATOM 1925 CB THR A 331 42 .123 -19 .004 28 .512 1 .00 15 .02 C

ATOM 1926 OGl THR A 331 42 .482 -19 .537 27 .230 1 .00 16 .74 O

ATOM 1927 CG2 THR A 331 41 .124 -19 .936 29 .188 1 .00 17 .29 C

ATOM 1928 N ILE A 332 42 .073 -16 .547 30 .415 1 .00 13 .85 N

ATOM 1929 CA ILE A 332 41 .823 -15 .924 31 .717 1 .00 16 .67 C

ATOM 1930 C ILE A 332 40 .996 -14 .655 31 .521 1 .00 17 .49 C

ATOM 1931 O ILE A 332 40 .014 -14 .423 32 .227 1 .00 18 .16 O

ATOM 1932 CB ILE A 332 43 .167 -15 .570 32 .425 1 .00 17 .96 C

ATOM 1933 CGl ILE A 332 43 .815 -16 .849 32. .966 1 .00 21 .47 C

ATOM 1934 CG2 ILE A 332 42 .929 -14 .574 33. .560 1 .00 20 .50 C

ATOM 1935 CDl ILE A 332 45 , .262 -16 .675 33. .397 1. .00 26. .74 C

ATOM 1936 N GLY A 333 41. .397 -13 .837 30. .552 1. .00 19. .23 N

ATOM 1937 CA GLY A 333 40. .669 -12. .612 30. .277 1. .00 17. .02 C

ATOM 1938 C GLY A 333 39. .233 -12. .894 29. 875 1. ,00 17. , 10 C

ATOM 1939 O GLY A 333 38. .316 -12. .155 30. 248 1. .00 14. .76 O

ATOM 1940 N GLN A 334 39. 029 -13. .959 29. 103 1. 00 14. 27 N

ATOM 1941 CA GLN A 334 37. 684 -14. .320 28. 672 1. 00 16. 48 C

ATOM 1942 C GLN A 334 36. 835 -14. .716 29. 884 1. 00 18. 02 C

ATOM 1943 O GLN A 334 35. 667 -14. 332 29. 984 1. 00 16. 35 O

ATOM 1944 CB GLN A 334 37. 739 -15. 473 27. 659 1. 00 17. 53 C

ATOM 1945 CG GLN A 334 36. 377 -15. 952 27. 135 1. 00 17. 24 C

ATOM 1946 CD GLN A 334 35. 543 -14. 843 26. 491 1. 00 23. 43 C

ATOM 1947 OEl GLN A 334 36. 071 -13. 954 25. 804 1. 00 21. 21 O

ATOM 1948 NE2 GLN A 334 34. 229 -14. 907 26. 690 1. 00 15. 69 N

ATOM 1949 N MET A 335 37. 422 -15. 473 30. 807 1. 00 20. 35 N

ATOM 1950 CA MET A 335 36. 693 -15. 900 32. 006 1. 00 22. 49 C

ATOM 1951 C MET A 335 36. 311 -14. 682 32. 838 1. 00 22. 40 C

ATOM 1952 O MET A 335 35. 336 -14. 709 33. 588 1. 00 20. 23 O

ATOM 1953 CB MET A 335 37. 552 -16. 843 32. 850 1. 00 28. 77 C

ATOM 1954 CG MET A 335 37. 824 -18. 182 32. 190 1. 00 37. 48 C

ATOM 1955 SD MET A 335 36. 311 -19. 162 31. 959 1. 00 49. 94 S

ATOM 1956 CE MET A 335 35. 790 -18. 658 30. 298 1. 00 39. 66 C

ATOM 1957 N GLN A 336 37. 088 -13. 612 32. 691 1. 00 21. 53 N

ATOM 1958 CA GLN A 336 36. 842 -12. 369 33. 408 1. 00 20. 95 C

ATOM 1959 C GLN A 336 35. 901 -11. 455 32. 625 1. 00 20. 52 C

ATOM 1960 O GLN . A 336 35. 581 -10. 358 33. 075 1. 00 18. 72 O

ATOM 1961 CB GLN . A 336 38. 175 -11. 659 33. 682 1. 00 19. 41 C

ATOM 1962 CG GLN . A . 336 39. 060 -12. 424 34. 665 1. 00 21. 77 C

-78- rf 10691216 vl

ATOM 1963 CD GLNI A. 336 40.461 -11.847 34.790 1.00 22: .47 C

ATOM 1954 OEl GLNr A . 336 41 .126 -12 .037 35 .802 1.00 29 '.72 O

ATOM 1965 NE; ! GLN ^' A 336 40 .916 -11 .157 33 .758 1.00 19 .94 N

ATOM 1966 N GLY ^' A 337 35 .459 -11 .919 31 .457 1.00 20 .84 N

ATOM 1967 CA GLY ^' A 337 34 .545 -11 .143 30 .628 1.00 18 .59 C

ATOM 1968 C GLY ¹ A 337 35 .110 -9 .833 30 .096 1.00 21 .02 C

ATOM 1969 O GLY A 337 34 .378 -8 .856 29 .949 1.00 20 .09 O

ATOM 1970 N LYS A 338 36 .401 -9 .815 29 .779 1.00 18 .31 N

ATOM 1971 CA LYS A 338 37 .048 -8 .599 29 .301 1.00 19 .59 C

ATOM 1972 C LYS A 338 36 .948 -8 .308 27 .812 1.00 19 .95 C

ATOM 1973 O LYS A 338 37 .349 -7 .232 27 .372 1.00 20 .04 O

ATOM 1974 CB LYS A 338 38 .519 -8 .593 29 .724 1.00 19 .56 C

ATOM 1975 CG LYS A 338 38 .700 -8 .467 31 .223 1.00 22 .70 C

ATOM 1976 CD LYS A 338 40 .163 -8 .513 31 .645 1.00 24 .39 C

ATOM 1977 CE LYS A 338 40 .283 -8 .228 33 .138 1.00 25 .59 C

ATOM 1978 NZ LYS A 338 41 .678 -8 .368 33 .629 1.00 28 .90 N

ATOM 1979 N PHE A 339 36 .418 -9 .245 27 .031 1.00 16 .25 N

ATOM 1980 CA PHE A 339 36 .290 -9 .013 25 .601 1.00 16 .45 C

ATOM 1981 C PHE A 339 35 .290 -9 .970 24 .963 1.00 19 .22 C

ATOM 1982 O PHE A 339 35 .060 -11 .071 25 .469 1.00 19 .37 O

ATOM 1983 CB PHE A 339 37 .671 -9 .137 24 .927 1.00 13 .30 C

ATOM 1984 CG PHE A 339 38 .255 -10 .532 24 .960 1.00 15 .28 C

ATOM 1985 CDl PHE A 339 38 .055 -11 .410 23 .893 1.00 13 .14 C

ATOM 1986 CD2 PHE A 339 39 .009 -10 .963 26 .049 1.00 15 .20 C

ATOM 1987 CEl PHE A 339 38. .602 -12 .699 23 .913 1.00 16 .50 C

ATOM 1988 CE2 PHE A 339 39. .561 -12 .252 26 .082 1.00 15 .77 C

ATOM 1989 CZ PHE A 339 39, .357 -13 .120 25 .011 1.00 14 .31 C

ATOM 1990 N GLN A 340 34. ,664 -9, .528 23, .877 1.00 17 .10 N

ATOM 1991 CA GLN A 340 33. , 715 -10 , .366 23 , .158 1.00 18 , .11 C

ATOM 1992 C GLN A 340 34. ,550 -11. .209 22, .224 1.00 19, .36 C

ATOM 1993 O GLN A 340 35. 588 -10. 766 21. .733 1.00 15. .13 O

ATOM 1994 CB GLN A 340 32. 730 -9. 537 22. ,324 1.00 18. .68 C

ATOM 1995 CG GLN A 340 31. 513 -9. 057 23. , 084 1.00 21. ,48 C

ATOM 1996 CD GLN A 340 31. 873 -8. 127 24. 213 1.00 22. ,35 C

ATOM 1997 OEl GLN A 340 32. 230 -6. 969 23. 991 1.00 27. 13 O

ATOM 1998 NE2 GLN A 340 31. 794 -8. 633 25. 438 1.00 21. 82 N

ATOM 1999 N MET A 341 34. 080 -12. 415 21. 957 1.00 20. 92 N

ATOM 2000 CA MET A 341 34. 805 -13. 327 21. 093 1.00 26. 80 C

ATOM 2001 C MET A 341 33. 826 -14. 022 20. 165 1.00 25. 81 C

ATOM 2002 O MET A 341 32. 695 -14. 309 20. 557 1.00 27. 48 O

ATOM 2003 CB MET A 341 35. 507 -14. 351 21. 967 1.00 29. 65 C

ATOM 2004 CG MET A 341 36. 332 -15. 366 21. 250 1.00 39. 59 C

ATOM 2005 SD MET A 341 36. 691 -16. 638 22. 454 1.00 41. 28 S

ATOM 2006 CE MET A 341 37. 427 -15. 712 23. 716 1.00 44. 41 C

ATOM 2007 N GLN A 342 34. 259 -14. 281 18. 934 1.00 23. 40 N

ATOM 2008 CA GLN A 342 33. 418 -14. 958 17. 959 1.00 21. 29 C

ATOM 2009 C GLN A 342 34. 284 -15. 869 17. 115 1.00 23. 26 C

ATOM 2010 O GLN A 342 35. 423 -15. 529 16. 775 1.00 20. 86 O

ATOM 2011 CB GLN A 342 32. 703 -13. 945 17. 063 1.00 24. 80 C

ATOM 2012 CG GLN A 342 31. 724 -13. 057 17. 811 1.00 32. 33 C

ATOM 2013 CD GLN A 342 30. 383 -13. 732 18. 081 1.00 35. 71 C

ATOM 2014 OEl GLN A 342 30. 290 -14. 959 18. 154 1.00 37. 16 O

ATOM 2015 NE2 GLN A 342 29. 340 -12. 924 18. 245 1.00 35. 77 N

ATOM 2016 N VAL A 343 33. 742 -17. 033 16. 784 1.00 20. 85 N

ATOM 2017 CA VAL A 343 34. 464 -18. 001 15. 979 1.00 19. 35 C

ATOM 2018 C VAL A . 343 33. 875 -18. 004 14. 573 1.00 22. 70 C

ATOM 2019 O VAL . A . 343 32. 668 -18. 179 14. 401 1.00 23. 73 O

-79- rtlϋ69l2!6 \ ]

ATOM 2020 CB VALi A. 343 34.350 -19.415 16.585 1.00 22.16 C

ATOM 2021 CG] . VAL , A . 343 35 .095 -20 .423 15 .707 1 .00 21 ..87 C

ATOM 2022 CG2 : VAL A 343 34 .908 -19 .418 18 .008 1 .00 19 .01 C

ATOM 2023 N LEU A 344 34 .732 -17 .801 13 .577 1 .00 21 .76 N

ATOM 2024 CA LEU ^■ A 344 34 .321 -17 .787 12 .174 1 .00 26 .16 C

ATOM 2025 C LEU A 344 34 .903 -19 .016 11 .465 1 .00 28 .38 C

ATOM 2026 O LEU A 344 35 .744 -19 .715 12 .027 1 .00 25 .64 O

ATOM 2027 CB LEU A 344 34 .831 -16 .514 11 .488 1 .00 23 .90 C

ATOM 2028 CG LEU A 344 34 .505 -15 .166 12 .138 1 .00 27 .47 C

ATOM 2029 CDl LEU A 344 34 .954 -14 .047 11 .212 1 .00 25 .40 C

ATOM 2030 CD2 LEU A 344 33 .021 -15 .059 12 .406 1 .00 28 .30 C

ATOM 2031 N PRO A 345 34 .462 -19 .295 10 .221 1 .00 32 .79 N

ATOM 2032 CA PRO A 345 34 .955 -20 .451 9 .454 1 .00 34 .42 C

ATOM 2033 C PRO A 345 36 .467 -20 .397 9 .221 1 .00 37 .96 C

ATOM 2034 O PRO A 345 37 .017 -19 .335 8 .941 1 .00 39 .41 O

ATOM 2035 CB PRO A 345 34 .161 -20 .363 8 .154 1 .00 35 .54 C

ATOM 2036 CG PRO A 345 32 .854 -19 .772 8 .606 1 .00 35 .01 C

ATOM 2037 CD PRO A 345 33 .321 -18 .663 9 .532 1 .00 33 .83 C

ATOM 2038 N GLN A 346 37 .133 -21 .544 9 .317 1 .00 39 .60 N

ATOM 2039 CA GLN A 346 38 .581 -21 .590 9 .144 1 .00 43 .26 C

ATOM 2040 C GLN A 346 39 .131 -21 .019 7 .845 1 .00 42 .87 C

ATOM 2041 O GLN A 346 38 .565 -21 .207 6 .769 1 .00 42 .08 O

ATOM 2042 CB GLN A 346 39 .109 -23 .017 9 .320 1 .00 48 .04 C

ATOM 2043 CG GLN A 346 40 .602 -23 .119 9 .025 1 .00 52 .14 C

ATOM 2044 CD GLN A 346 41 .312 -24 .151 9 .871 1 .00 58 .42 C

ATOM 2045 OEl GLN A 346 40 .973 -25 .337 9 .845 1 .00 60 .29 O

ATOM 2046 NE2 GLN A 346 42 .313 -23 .705 10 .631 1 .00 57 .79 N

ATOM 2047 N CYS A 347 40 .255 -20. .320 7. .978 1 .00 44 .17 N

ATOM 2048 CA CYS A 347 40 .954 -19 .696 6. .862 1 .00 45 .46 C

ATOM 2049 C CYS A 347 42 , .417 -19. .569 7. .267 1. .00 46. .82 C

ATOM 2050 O CYS A 347 42. .745 -18. .924 8. .269 1. .00 47. .14 O

ATOM 2051 CB CYS A 347 40. .380 -18. .307 6. .568 1. .00 44. .34 C

ATOM 2052 SG CYS A 347 41. .366 -17. .339 5. .388 1. .00 45. , 68 S

ATOM 2053 N GLY A 348 43. ,293 -20. .184 6. .484 1. .00 45. .35 N

ATOM 2054 CA GLY A 348 44. 705 -20. 135 6. 798 1. 00 44. 28 C

ATOM 2055 C GLY A 348 45. 325 -18. 773 6. 570 1. 00 43. 69 C

ATOM 2056 O GLY A 348 46. 360 -18. 453 7. 158 1. 00 43. 84 O

ATOM 2057 N HIS A 349 44. 700 -17. 968 5. 718 1. 00 41. 71 N

ATOM 2058 CA HIS A 349 45. 218 -16. 641 5. 414 1. 00 40. 07 C

ATOM 2059 C HIS A 349 44. 406 -15. 500 6. 018 1. 00 36. 07 C

ATOM 2060 O HIS A 349 44. 441 -15. 274 7. 228 1. 00 34. 45 O

ATOM 2061 CB HIS A 349 45. 324 -16. 458 3. 897 1. 00 42. 20 C

ATOM 2062 CG HIS A 349 46. 501 -17. 152 3. 292 1. 00 46. 75 C

ATOM 2063 NDl HIS A 349 46. 660 -18. 521 3. 331 1. 00 49. 92 N

ATOM 2064 CD2 HIS A 349 47. 600 -16. 664 2. 668 1. 00 47. 78 C

ATOM 2065 CEl HIS A 349 47. 807 -18. 845 2. 760 1. 00 50. 36 C

ATOM 2066 NE2 HIS A 349 48. 396 -17. 736 2. 349 1. 00 50. 93 N

ATOM 2067 N ALA A 350 43. 687 -14. 778 5. 165 1. 00 31. 38 N

ATOM 2068 CA ALA A 350 42. 877 -13. 655 5. 611 1. 00 27. 15 C

ATOM 2069 C ALA A 350 41. 386 -13. 949 5. 520 1. 00 22. 92 C

ATOM 2070 O ALA A 350 40. 810 -13. 959 4. 430 1. 00 21. 23 O

ATOM 2071 CB ALA A 350 43. 213 -12. 420 4. 782 1. 00 30. 16 C

ATOM 2072 N VAL A 351 40. 757 -14. 182 6. 667 1. 00 20. 64 N

ATOM 2073 CA VAL A 351 39. 327 -14. 456 6. 681 1. 00 17. 72 C

ATOM 2074 C VAL . A 351 38. 521 -13. 250 6. 173 1. 00 16. 70 C

ATOM 2075 O VAL . A 351 37. 420 -13. 418 5. 643 1. 00 14. 51 O

ATOM 2076 CB VAL . A . 351 38. 841 -14. 853 8. 098 1. 00 18. 94 C

-80-

#10691216 v l

ATOM 2077 CGl. VAIj A. 351 38.979 -13.672 C• .047 1.00> 18.05 C

ATOM 2078 CG2 : VAi , A , 351 37 .400 -15 .348 8i .033 1.00 17 .25 C

ATOM 2079 N HISi A 352 39 .065 -12 .040 6 ^: .311 1.00 16 .31 N

ATOM 2080 CA HISi A 352 38 .343 -10 .861 5 .830 1.00 15 .74 C

ATOM 2081 C HIS : A 352 38 .298 -10 .822 4 .300 1.00 18 .89 C

ATOM 2082 O HIS ' ^■ A 352 37 .460 -10 .129 3 .715 1.00 17 .72 O

ATOM 2083 CB HIS A 352 38 .935 -9 .554 6 .392 1.00 18 .36 C

ATOM 2084 CG HIS A 352 40 .422 -9 .439 6 .266 1.00 21 .51 C

ATOM 2085 NDl HIS A 352 41 .032 -8 .419 5 .566 1.00 24 .73 N

ATOM 2086 CD2 HIS A 352 41 .422 -10 .172 6 .807 1.00 22 .93 C

ATOM 2087 CEl HIS A 352 42 .342 -8 .526 5 .686 1.00 20 .53 C

ATOM 2088 NE2 HIS A 352 42 .606 -9 .581 6 .434 1.00 26 .94 N

ATOM 2089 N GLU A 353 39 .199 -11 .560 3 .653 1.00 15 .96 N

ATOM 2090 CA GLU A 353 39 .199 -11 .645 2 .193 1.00 17 .33 C

ATOM 2091 C GLU A 353 38 .382 -12 .866 1 .758 1.00 18 .91 C

ATOM 2092 O GLU A 353 37 .594 -12 .800 0 .811 1.00 17 .66 O

ATOM 2093 CB GLU A 353 40 .622 -11 .783 1 .629 1.00 18 .66 C

ATOM 2094 CG GLU A 353 41 .465 -10 .520 1 .724 1.00 17 .64 C

ATOM 2095 CD GLU A 353 42 .518 -10 .429 0 .633 1.00 22 .35 C

ATOM 2096 OEl GLU A 353 42 .146 -10 .515 -0 .561 1.00 25 .44 O

ATOM 2097 OE2 GLU A 353 43 .711 -10 .259 0 .959 1.00 19 .40 O

ATOM 2098 N ASP A 354 38 .568 -13 .980 2 .459 1.00 18 .27 N

ATOM 2099 CA ASP A 354 37 .868 -15 .214 2 .119 1.00 20 .92 C

ATOM 2100 C ASP A 354 36 .378 -15 .228 2 .448 1.00 20 .55 C

ATOM 2101 O ASP A 354 35 .585 -15 .763 1 .678 1.00 20 .46 O

ATOM 2102 CB ASP A 354 38 .551 -16 .407 2 .795 1.00 26 .52 C

ATOM 2103 CG ASP A 354 39 .846 -16 .809 2 .106 1.00 33 .14 C

ATOM 2104 ODl ASP A 354 40. .307 -16 .076 1 .202 1.00 34. .79 O

ATOM 2105 OD2 ASP A 354 40. .406 -17 .862 2 .473 1.00 35. .41 O

ATOM 2106 N ALA A 355 35. .999 -14 .650 3 .586 1.00 17. .72 N

ATOM 2107 CA ALA A 355 34. 595 -14. .617 4 .008 1.00 17. .44 C

ATOM 2108 C ALA A 355 34. .264 -13. .215 4 .520 1.00 18. 23 C

ATOM 2109 O ALA A 355 33. 933 -13. .029 5 .689 1.00 18. 14 O

ATOM 2110 CB ALA A 355 34. 365 -15. .645 5 .106 1.00 18. 09 C

ATOM 2111 N PRO A 356 34. 334 -12. 214 3. .631 1.00 20. 22 N

ATOM 2112 CA PRO A 356 34. 066 -10. 808 3. .942 1.00 18. 17 C

ATOM 2113 C PRO A 356 32. 111 -10. 541 4. .711 1.00 21. 39 C

ATOM 2114 O PRO A 356 32. 111 -9. 773 5. 673 1.00 17. 59 O

ATOM 2115 CB PRO A 356 34. 054 -10. 146 2. 565 1.00 20. 23 C

ATOM 2116 CG PRO A 356 34. 928 -11. 043 1. 736 1.00 24. 36 C

ATOM 2117 CD PRO A 356 34. 476 -12. 401 2. 177 1.00 15. 91 C

ATOM 2118 N ASP A 357 31. 675 -11. 165 4. 305 1.00 21. 56 N

ATOM 2119 CA ASP A 357 30. 422 -10. 897 4. 998 1.00 23. 78 C

ATOM 2120 C ASP A 357 30. 313 -11. 538 6. 367 1.00 21. 79 C

ATOM 2121 O ASP A 357 29. 552 -11. 068 7. 214 1.00 21. 71 O

ATOM 2122 CB ASP A 357 29. 214 -11. 303 4. 158 1.00 28. 12 C

ATOM 2123 CG ASP A 357 27. 932 -10. 680 4. 678 1.00 35. 82 C

ATOM 2124 ODl ASP A 357 27. 897 -9. 434 4. 804 1.00 36. 18 O

ATOM 2125 OD2 ASP A 357 26. 969 -11. 420 4. 972 1.00 38. 58 O

ATOM 2126 N LYS A 358 31. 053 -12. 617 6. 594 1.00 20. 71 N

ATOM 2127 CA LYS A 358 31. 010 -13. 246 7. 905 1.00 19. 95 C

ATOM 2128 C LYS A 358 31. 745 -12. 335 8. 873 1.00 16. 43 C

ATOM 2129 O LYS A 358 31. 339 -12. 181 10. 025 1.00 17. 08 O

ATOM 2130 CB LYS A 358 31. 653 -14. 630 7. 873 1.00 21. 89 C

ATOM 2131 CG LYS A 358 30. 888 -15. 601 6. 991 1.00 29. 54 C

ATOM 2132 CD LYS A 358 31. 184 -17. 044 7. 346 1.00 33. 06 C

ATOM 2133 CE LYS A . 358 30. 397 -17. 982 6. 436 1.00 39. 96 C

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ATOM 2134 NZ LYS A 358 28.944 -17.628 6.417 1.00 39.97 N

ATOM 2135 N VAL A 359 32 .822 -11 .713 8 .402 1.00 16 .78 N

ATOM 2136 CA VAL A 359 33 .566 -10 .801 9 .259 1.00 14 .92 C

ATOM 2137 C VAL A 359 32 .695 -9 .561 9 .488 1.00 15 .40 C

ATOM 2138 O VAL A 359 32 .570 -9 .084 10 .615 1.00 15 .39 O

ATOM 2139 CB VAL A 359 34 .920 -10 .399 8 .625 1.00 17 .36 C

ATOM 2140 CGl VAL A 359 35 .640 -9 .384 9 .512 1.00 14 .71 C

ATOM 2141 CG2 VAL A 359 35 .799 -11 .643 8 .450 1.00 14 .39 C

ATOM 2142 N ALA A 360 32 .071 -9 .056 8 .424 1.00 17 .21 N

ATOM 2143 CA ALA A 360 31 .214 -7 .873 8 .543 1.00 15 .07 C

ATOM 2144 C ALA A 360 30 .056 -8 .138 9 .506 1.00 15 .89 C

ATOM 2145 O ALA A 360 29 .705 -7 .285 10 .318 1.00 18 .38 O

ATOM 2146 CB ALA A 360 30 .677 -7 .475 7 .176 1.00 15 .62 C

ATOM 2147 N GLU A 361 29 .466 -9 .326 9 .420 1.00 14 .79 N

ATOM 2148 CA GLU A 361 28 .359 -9 .680 10 .301 1.00 21 .38 C

ATOM 2149 C GLU A 361 28 .816 -9 .619 11 .765 1.00 17 .02 C

ATOM 2150 O GLU A 361 28 .148 -9 .027 12 .614 1.00 16 .93 O

ATOM 2151 CB GLU A 361 27 .856 -11 .086 9 .966 1.00 21 .81 C

ATOM 2152 CG GLU A 361 26 .553 -11 .462 10 .635 1.00 37 .83 C

ATOM 2153 CD GLU A 361 26 .093 -12 .861 10 .258 1.00 44 .30 C

ATOM 2154 OEl GLU A 361 25 .981 -13 .150 9 .047 1.00 51 .87 O

ATOM 2155 OE2 GLU A 361 25 .840 -13 .672 11 .174 1.00 53 .03 O

ATOM 2156 N ALA A 362 29 .966 -10 .217 12 .051 1.00 15 .50 N

ATOM 2157 CA ALA A 362 30 .499 -10 .221 13 .410 1.00 16 .58 C

ATOM 2158 C ALA A 362 30 .800 -8 .799 13 .897 1.00 16 .84 C

ATOM 2159 O ALA A 362 30 .479 -8 .441 15 .031 1.00 14 .42 O

ATOM 2160 CB ALA A 362 31 .759 -11 .076 13 .468 1.00 14 .51 C

ATOM 2161 N VAL A 363 31 .427 -7. .990 13. .045 1.00 15. .80 N

ATOM 2162 CA VAL A 363 31 .743 -6. .614 13. .417 1.00 14. .42 C

ATOM 2163 C VAL A 363 30 .462 -5. .807 13. .635 1.00 16. .07 C

ATOM 2164 O VAL A 363 30 .342 -5, .073 14. .613 1.00 15. .60 O

ATOM 2165 CB VAL A 363 32. .605 -5. .926 12. .326 1.00 15. 28 C

ATOM 2166 CGl VAL A 363 32. .746 -4. .426 12. .626 1.00 14. 04 C

ATOM 2167 CG2 VAL A 363 33. .986 -6. .585 12. .279 1.00 13. 78 C

ATOM 2168 N ALA A 364 29. .503 -5. 946 12. 724 1.00 16. 40 N

ATOM 2169 CA ALA A 364 28. 232 -5. 226 12. 841 1.00 16. 36 C

ATOM 2170 C ALA A 364 27. 520 -5. 554 14. 163 1.00 16. 75 C

ATOM 2171 O ALA A 364 27. 024 -4. 664 14. 855 1.00 15. 27 O

ATOM 2172 CB ALA A 364 27. 327 -5. 574 11. 655 1.00 13. 44 C

ATOM 2173 N THR A 365 27. 473 -6. 836 14. 506 1.00 15. 53 N

ATOM 2174 CA THR A 365 26. 828 _ ₇ 274 15. 741 1.00 18. 96 C

ATOM 2175 C THR A 365 27. 471 -6. 597 16. 948 1.00 18. 43 C

ATOM 2176 O THR A 365 26. 778 -6. 112 17. 845 1.00 15. 61 O

ATOM 2177 CB THR A 365 26. 931 -8. 808 15. 888 1.00 22. 23 C

ATOM 2178 OGl THR A 365 26. 225 -9. 426 14. 807 1.00 21. 57 O

ATOM 2179 CG2 THR A 365 26. 330 -9. 275 17. 209 1.00 25. 12 C

ATOM 2180 N PHE A 366 28. 800 -6. 547 16. 946 1.00 15. 50 N

ATOM 2181 CA PHE A 366 29. 554 -5. 932 18. 031 1.00 15. 83 C

ATOM 2182 C PHE A 366 29. 249 -4. 442 18. 118 1.00 17. 24 C

ATOM 2183 O PHE A 366 29. 001 -3. 908 19. 204 1.00 17. 14 O

ATOM 2184 CB PHE A 366 31. 050 -6. 131 17. 799 1.00 15. 12 C

ATOM 2185 CG PHE . A 366 31. 921 -5. 504 18. 851 1.00 16. 79 C

ATOM 2186 CDl PHE . A 366 32. 148 -6. 150 20. 063 1.00 19. 28 C

ATOM 2187 CD2 PHE . A 366 32. 536 -4. 279 18. 618 1.00 19. 58 C

ATOM 2188 CEl PHE . A 366 32. 984 -5. 585 21. 024 1.00 21. 07 C

ATOM 2189 CE2 PHE . A 366 33. 370 -3. 704 19. 573 1.00 20. 98 C

ATOM 2190 CZ PHE , A 366 33. 596 -4. 365 20. 780 1.00 16. 97 C

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ATOM 2191 N LEU A. 367 29.280 -3.771 16.971 1.00 15.25 N

ATOM 2192 CA LEU A . 367 29 .009 - 2 .338 16 .918 1 .00 16 .95 C

ATOM 2193 C LEtr A 367 27 .619 -2 .012 17 .456 1 .00 17 .32 C

ATOM 2194 O LEt F A 367 27 .438 -1 .063 18 .223 1 .00 20 .03 O

ATOM 2195 CB LELr A 367 29 .140 -1 .836 15 .476 1 .00 15 .11 C

ATOM 2196 CG LEL'r A 367 30 .563 -1 .819 14 .903 1 .00 18 .28 C

ATOM 2197 CDl LEU ' A 367 30 .529 -1 .501 13 .421 1 .00 13 .82 C

ATOM 2198 CD2 LEUi A 367 31 .395 -0 .797 15 .650 1 .00 17 .44 C

ATOM 2199 N ILE A 368 26 .639 -2 .802 17 .044 1 .00 16 .24 N

ATOM 2200 CA ILE A 368 25 .260 -2 .604 17 .475 1 .00 19 .00 C

ATOM 2201 C ILE A 368 25 .133 -2 .914 18 .962 1 .00 20 .71 C

ATOM 2202 O ILE A 368 24 .478 -2 .187 19 .701 1 .00 21 .24 O

ATOM 2203 CB ILE A 368 24 .311 -3 .507 16 .657 .00 19 .65 C

ATOM 2204 CGl ILE A 368 24 .258 -3 .008 15 .210 1 .00 20 .22 C

ATOM 2205 CG2 ILE A 368 22 .918 -3 .528 17 .278 1 .00 24 .26 C

ATOM 2206 CDl ILE A 368 23 .561 -3 .971 14 .259 1 .00 22 .43 C

ATOM 2207 N ARG A 369 25 .779 -3 .991 19 .394 1 .00 21 .67 N

ATOM 2208 CA ARG A 369 25 .751 -4 .405 20 .792 1 .00 20 .36 C

ATOM 2209 C ARG A 369 26 .163 -3 .280 21 .735 1 .00 21 .79 C

ATOM 2210 O ARG A 369 25 .547 -3 .077 22 .783 1 .00 19 .47 O

ATOM 2211 CB ARG A 369 26 .691 -5 .597 20 .990 1 .00 22 .94 C

ATOM 2212 CG ARG A 369 26 .880 -6 .016 22 .433 1 .00 24 .44 C

ATOM 2213 CD ARG A 369 27 .722 -7 .273 22 .513 1 .00 24 .15 C

ATOM 2214 NE ARG A 369 27 .794 _ ₇ .791 23 .873 1 .00 27 .88 N

ATOM 2215 CZ ARG A 369 27 .820 -9. .085 24 .174 1 .00 24 .66 C

ATOM 2216 NHl ARG A 369 27 .780 -9. .994 23 .207 1 .00 23 .55 N

ATOM 2217 NH2 ARG A 369 27 .872 -9, .467 25 .443 1 .00 26. .92 N

ATOM 2218 N HIS A 370 27 .211 -2. .553 21. .359 1. .00 19. .99 N

ATOM 2219 CA HIS A 370 27 .721 -1. .463 22. .177 1. .00 19. .81 C

ATOM 2220 C HIS A 370 27. .166 -0. 106 21. .783 1. .00 20. .52 C

ATOM 2221 O HIS A 370 27. .637 0. 923 22. .268 1. .00 18. .70 O

ATOM 2222 CB HIS A 370 29. .247 -1. 444 22. .102 1. 00 21. 88 C

ATOM 2223 CG HIS A 370 29. .890 -2. 651 22. .711 1. 00 23. 02 C

ATOM 2224 NDl HIS A 370 29. .956 -2. 851 24. 073 1. 00 24. 03 N

ATOM 2225 CD2 HIS A 370 30. 469 -3. 736 22. 143 1. 00 24. 52 C

ATOM 2226 CEl HIS A 370 30. 549 -4. 006 24. 320 1. 00 22. 41 C

ATOM 2227 NE2 HIS A 370 30. 871 -4. 563 23. 165 1. 00 25. 05 N

ATOM 2228 N ARG A 371 26. 164 -0. 115 20. 908 1. 00 19. 35 N

ATOM 2229 CA ARG A 371 25. 519 1. 106 20. 430 1. 00 21. 85 C

ATOM 2230 C ARG A 371 26. 474 2. 081 19. 744 1. 00 24. 32 C

ATOM 2231 O ARG A 371 26. 278 3. 299 19. 799 1. 00 21. 41 O

ATOM 2232 CB ARG A 371 24. 812 1. 815 21. 584 1. 00 25. 88 C

ATOM 2233 CG ARG A 371 23. 734 0. 977 22. 245 1. 00 36. 27 C

ATOM 2234 CD ARG A 371 22. 381 1. 661 22. 153 1. 00 46. 74 C

ATOM 2235 NE ARG A 371 21. 355 0. 958 22. 921 1. 00 55. 32 N

ATOM 2236 CZ ARG A 371 20. 094 1. 367 23. 036 1. 00 58. 22 C

ATOM 2237 NHl ARG A 371 19. 695 2. 479 22. 429 1. 00 61. 63 N

ATOM 2238 NH2 ARG A 371 19. 231 0. 667 23. 760 1. 00 59. 47 N

ATOM 2239 N PHE A 372 27. 505 1. 549 19. 097 1. 00 20. 06 N

ATOM 2240 CA PHE A 372 28. 463 2. 388 18. 392 1. 00 20. 40 C

ATOM 2241 C PHE A 372 27. 933 2. 784 17. 009 1. 00 22. 63 C

ATOM 2242 O PHE A 372 28. 342 3. 796 16. 445 1. 00 22. 87 O

ATOM 2243 CB PHE A 372 29. 803 1. 663 18. 231 1. 00 19. 05 C

ATOM 2244 CG PHE A 372 30. 503 1. 376 19. 529 1. 00 17. 18 C

ATOM 2245 CDl PHE A 372 30. 351 2. 223 20. 623 1. 00 20. 51 C

ATOM 2246 CD2 PHE A 372 31. 352 0. 276 19. 646 1. 00 19. 00 C

ATOM 2247 CEl PHE A 372 31. 034 1. 982 21. 815 1. 00 19. 00 C

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ATOM 2248 CE2 PHE A 372 32.042 0.027 20.836 1.00 18.93 C

ATOM 2249 CZ PHE A 372 31 .881 0 .881 21 .920 1.00 16 .88 C

ATOM 2250 N ALA A 373 27 .026 1 .982 16 .461 1.00 20 .57 N

ATOM 2251 CA ALA A 373 26 .472 2 .282 15 .147 1.00 23 .56 C

ATOM 2252 C ALA A 373 25 .037 1 .797 15 .016 1.00 25 .88 C

ATOM 2253 O ALA. A 373 24 .598 0 .895 15 .736 1.00 24 .59 O

ATOM 2254 CB ALA A 373 27 .339 1 .645 14 .051 1.00 20 .97 C

ATOM 2255 N GLU A 374 24 .315 2 .410 14 .085 1.00 27 .27 N

ATOM 2256 CA GLU A 374 22 .929 2 .056 13 .819 1.00 29 .68 C

ATOM 2257 C GLU A 374 22 .856 1 .067 12 .668 1.00 29 .33 C

ATOM 2258 O GLU A 374 23 .588 1 .187 11 .680 1.00 26 .91 O

ATOM 2259 CB GLU A 374 22 .123 3 .304 13 .449 1.00 34 .19 C

ATOM 2260 CG GLU A 374 21 .962 4 .295 14 .581 1.00 42 .62 C

ATOM 2261 CD GLU A 374 21 .151 3 .726 15 .727 1.00 49 .96 C

ATOM 2262 OEl GLU A 374 19 .983 3 .342 15 .496 1.00 51 .95 O

ATOM 2263 OE2 GLU A 374 21 .682 3 .659 16 .857 1.00 54 .14 O

ATOM 2264 N PRO A 375 21 .975 0 .066 12 .784 1.00 31 .37 N

ATOM 2265 CA PRO A 375 21 .820 -0 .934 11 .727 1.00 34 .49 C

ATOM 2266 C PRO A 375 21 .262 -0 .197 10 .517 1.00 35 .45 C

ATOM 2267 O PRO A 375 20 .566 0 .806 10 .678 1.00 33 .40 O

ATOM 2268 CB PRO A 375 20 .793 -1 .902 12 .310 1.00 34 .68 C

ATOM 2269 CG PRO A 375 20 .952 -1 .729 13 .797 1.00 37 .34 C

ATOM 2270 CD PRO A 375 21 .112 -0 .248 13 .935 1.00 32 .18 C

ATOM 2271 N ILE A 376 21 .570 -0 .668 9 .315 1.00 38 .02 N

ATOM 2272 CA ILE A 376 21 .049 -0 .017 8 .121 1.00 41 .91 C

ATOM 2273 C ILE A 376 19 .559 -0 .323 8 .032 1.00 44 .15 C

ATOM 2274 O ILE A 376 18 .757 0 .635 8 .077 1.00 48 .91 O

ATOM 2275 CB ILE A 376 21 .748 -0 .526 6 .840 1.00 40 .40 C

ATOM 2276 CGl ILE A 376 23, .170 0 .033 6. .764 1.00 38. .84 C

ATOM 2277 CG2 ILE A 376 20. .950 -0. .117 5. .607 1.00 40. .60 C

ATOM 2278 CDl ILE A 376 23. .235 1. .539 6. .628 1.00 35. .64 C

TER 2279 ILE A 376

HETATM 2280 O HOH AlOOl 44. 541 -1. .741 5. .991 1.00 13. 87 O

HETATM 2281 O HOH A1002 37. 576 -7. .843 2. .375 1.00 14. 29 O

HETATM 2282 O HOH A1003 35. 976 7. 666 5. 977 1.00 14. 14 O

HETATM 2283 O HOH A1004 51. 062 -10. 773 9. 491 1.00 14. 30 O

HETATM 2284 O HOH A1005 33. 754 3. 036 23. 823 1.00 14. 81 O

HETATM 2285 O HOH A1006 31. 334 -14. 138 3. 198 1.00 15. 78 O

HETATM 2286 O HOH A1007 52. 845 1. 865 9. 629 1.00 16. 04 O

HETATM 2287 O HOH A1008 50. 364 -11. 059 27. 337 1.00 17. 55 O

HETATM 2288 O HOH A1009 51. 721 -4. 417 0. 145 1.00 16. 50 O

HETATM 2289 O HOH AlOlO 58. 526 -4. 618 16. 670 1.00 17. 59 O

HETATM 2290 O HOH AlOIl 45. 279 -12. 417 31. 358 1.00 16. 83 O

HETATM 2291 O HOH AlO12 47. 076 -11. 796 21. 442 1.00 18. 19 O

HETATM 2292 O HOH A1013 45. 310 -8. 615 5. 731 1.00 18. 23 O

HETATM 2293 O HOH A1014 40. 747 -21. 783 23. 437 1.00 18. 09 O

HETATM 2294 O HOH AlO 15 53. 404 -7. 961 -0. 631 1.00 18. 80 O

HETATM 2295 O HOH A1016 36. 208 -7. 632 -7. 310 1.00 18. 31 O

HETATM 2296 O HOH A1017 43. 233 -0. 329 -7. 087 1.00 18. 43 O

HETATM 2297 O HOH A1018 50. 266 -14. 963 25. 920 1.00 19. 10 O

HETATM 2298 O HOH A1019 38. 994 _ "j 238 -0. 711 1.00 18. 72 O

HETATM 2299 O HOH A1020 28. 144 10. 646 12. 139 1.00 19. 74 O

HETATM 2300 O HOH . A1021 42. 425 -14. 977 8. 932 1.00 20. 12 O

HETATM 2301 O HOH . A1022 25. 760 4. 615 12. 897 1.00 19. 48 O

HETATM 2302 O HOH , A1023 44. 227 5. 097 20. 971 1.00 20. 08 O

HETATM 2303 O HOH . A1024 54. 842 -23. 019 12. 848 1.00 20. 04 O

HETATM 2304 O HOH , A1025 49. 170 -20. 068 26. 341 1.00 19. 76 O

-84-

# 10691216 v 1

HETATM 2305 O HOH A1026 61.273 -7.159 17.774 1.00 20.26 O

HETATM 2306 O HOH A1027 30 .437 -10 .226 17 .205 1 .00 20 .31 O

HETATM 2307 O HOH A1028 34 .774 -9 .344 -8 .944 1 .00 20 .01 O

HETATM 2308 O HOH A1029 46 .125 -6 .599 -0 .359 1 .00 20 .19 O

HETATM 2309 O HOH A1030 45 .945 -7 .244 31 .167 1 .00 20 .23 O

HETATM 2310 O HOH A1031 29 .446 -9 .296 19 .916 1 .00 20 .15 O

HETATM 2311 O HOH A1032 38 .749 -20 .903 15 .408 1 .00 21 .16 O

HETATM 2312 O HOH A1033 34 .419 8 .749 3 .663 1 .00 20 .74 O

HETATM 2313 O HOH A1034 29 .956 6 .114 16 .975 1 .00 22 .16 O

HETATM 2314 O HOH A1035 28 .078 16 .399 10 .570 1 .00 22 .41 O

HETATM 2315 O HOH A1036 56 .535 2 .836 2 .437 1 .00 21 .75 O

HETATM 2316 O HOH A1037 30 .475 15 .021 11 .532 1 .00 22 .10 O

HETATM 2317 O HOH A1038 34 .744 8 .253 20 .439 1 .00 22 .64 O

HETATM 2318 O HOH A1039 47 .236 0 .340 -2 .032 1 .00 20 .97 O

HETATM 2319 O HOH A1040 33 .458 -11 .316 27 .749 1 .00 23 .84 O

HETATM 2320 O HOH A1041 41 .473 -21 .839 26 .020 1 .00 22 .41 O

HETATM 2321 O HOH A1042 53 .875 -12 .698 27 .403 1 .00 23 .33 O

HETATM 2322 O HOH A1043 34 .558 -15 .100 -13 .059 1 .00 23 .48 O

HETATM 2323 O HOH A1044 37 .606 19 .934 12 .012 1 .00 23 .82 O

HETATM 2324 O HOH A1045 42 .593 13 .666 14 .596 1 .00 22 .17 O

HETATM 2325 O HOH A1046 45 .082 1 .160 -5 .715 1 .00 22 .13 O

HETATM 2326 O HOH A1047 40 .988 -22 .791 -7 .380 1 .00 23 .59 O

HETATM 2327 O HOH A1048 34 .906 11 .596 7 .926 1 .00 22 .87 O

HETATM 2328 O HOH A1049 42 .741 -2 .828 -7 .003 1 .00 23 .75 O

HETATM 2329 O HOH A1050 49 .252 -16 .857 27 .547 1 .00 23 .41 O

HETATM 2330 O HOH A1051 53 .722 -21 .209 -5 .993 1 .00 23 .64 O

HETATM 2331 O HOH A1052 30 .972 -7 .143 _ 2 .872 1. .00 24 .21 O

HETATM 2332 O HOH A1053 41. .475 -23 .168 -2 .860 1. .00 24 .50 O

HETATM 2333 O HOH A1054 52. .481 -16. .272 25. .808 1. .00 25 .31 O

HETATM 2334 O HOH A1055 27. .787 -1. .931 0 , .170 1. .00 25 .09 O

HETATM 2335 O HOH A1056 26. .817 2. .661 5, .962 1. .00 24 .59 O

HETATM 2336 O HOH A1057 55. 599 -18. .626 -19. .131 1. 00 24. .44 O

HETATM 2337 O HOH A1058 24. 161 -6. .842 18. .339 1. 00 25. .13 O

HETATM 2338 O HOH A1059 54. 117 3. .972 19. .284 1. 00 25. .24 O

HETATM 2339 O HOH A1060 51. 609 -6. 937 28. 335 1. 00 24. .65 O

HETATM 2340 O HOH A1061 35. 481 20. 999 10. 602 1. 00 23. .40 O

HETATM 2341 O HOH A1062 51. 559 -18. 154 -12. 454 1. 00 25. 16 O

HETATM 2342 O HOH A1063 29. 216 8. 000 14. 994 1. 00 23. 95 O

HETATM 2343 O HOH A1064 48. 934 -0. 965 -3. 876 1. 00 25. 83 O

HETATM 2344 O HOH A1065 37. 083 9. 732 7. 247 1. 00 25. 14 O

HETATM 2345 O HOH A1066 35. 980 19. 984 8. 212 1. 00 25. 34 O

HETATM 2346 O HOH A1067 49. 417 -20. 391 23. 484 1. 00 24. 63 O

HETATM 2347 O HOH A1068 35. 769 14. 115 9. 092 1. 00 23. 25 O

HETATM 2348 O HOH A1069 41. 352 10. 188 17. 580 1. 00 24. 66 O

HETATM 2349 O HOH A1070 45. 824 10. 459 16. 321 1. 00 24. 82 O

HETATM 2350 O HOH A1071 34. 765 -12. 229 -9. 327 1. 00 24. 91 O

HETATM 2351 O HOH A1072 34. 660 4. 985 -6. 096 1. 00 26. 63 O

HETATM 2352 O HOH A1073 59. 024 -16. 702 -10. 505 1. 00 26. 35 O

HETATM 2353 O HOH A1074 50. 162 13. 905 11. 830 1. 00 26. 70 O

HETATM 2354 O HOH A1075 55. 148 -13. 548 23. 624 1. 00 25. 84 O

HETATM 2355 O HOH A1076 30. 872 _ ₇ 292 -0. 061 1. 00 25. 61 O

HETATM 2356 O HOH A1077 39. 209 9. 703 -4. 397 1. 00 27. 34 O

HETATM 2357 O HOH A1078 60. 050 7. 085 7. 589 1. 00 27. 27 O

HETATM 2358 O HOH A1079 43. 085 -14. 897 1. 653 1. 00 26. 55 O

HETATM 2359 O HOH . A1080 61. 013 -5. 797 0. 881 1. 00 27. 47 O

HETATM . 2360 O HOH . A1081 47. 054 -17. 938 11. 616 1. 00 27. 76 O

HETATM : 2361 O HOH . A1082 49. 082 -5. 874 -15. 733 1. 00 28. 19 O

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# 106912 16 v l

HETATM 2362 O HOH: A1083 38.050 17.216 11..489 1.00 25.26 O

HETATM 2353 O HOH : A1084 29 .200 12 .674 10 .414 1.00 28 .60 O

HETATM 2364 O HOH : A1085 46 .556 -7 .404 -16 .231 1.00 27 .79 O

HETATM 2365 O HOH A1086 40 .709 -5 .264 -15 .641 1.00 28 .20 O

HETATM 2366 O HOH A1087 37 .322 6 .184 26 .419 1.00 26 .56 O

HETATM 2367 O HOH A1088 52 .177 -13 .745 29 .277 1.00 28 .19 O

HETATM 2368 O HOH A1089 55 .569 -24 .475 10 .728 1.00 29 .37 O

HETATM 2369 O HOH A1090 45 .378 12 .630 -1 .689 1.00 30 .36 O

HETATM 2370 O HOH A1091 46 .171 0 .327 28 .307 1.00 28 .63 O

HETATM 2371 O HOH A1092 39 .326 5 .902 24 .239 1.00 30 .09 O

HETATM 2372 O HOH A1093 32 .223 -13 .542 27 .838 1.00 28 .90 O

HETATM 2373 O HOH A1094 43 .067 12 .401 16 .971 1.00 29 .18 O

HETATM 2374 O HOH A1095 27 .581 -15 .749 17 .561 1.00 29 .08 O

HETATM 2375 O HOH A1096 54 .574 -11 .357 2 .423 1.00 29 .81 O

HETATM 2376 O HOH A1097 48 .294 -16 .939 16 .510 1.00 28 .90 O

HETATM 2377 O HOH A1098 32 .731 -11 .740 -1 .705 1.00 29 .32 O

HETATM 2378 O HOH A1099 41 .122 -21 .176 -4 .757 1.00 29 .77 O

HETATM 2379 O HOH AIlOO 32 .463 5 .335 23 .450 1.00 30 .25 O

HETATM 2380 O HOH AIlOl 61 .621 -10 .743 16 .507 1.00 29 .85 O

HETATM 2381 O HOH A1102 48 .364 0 .211 -6 .427 1.00 28 .80 O

HETATM 2382 O HOH A1103 31 .164 -2 .243 -3 .765 1.00 29 .92 O

HETATM 2383 O HOH A1104 46 .039 -14 .964 10 .359 1.00 28 .57 O

HETATM 2384 O HOH A1105 54 .614 -22 .599 4 .369 1.00 30 .52 O

HETATM 2385 O HOH Al106 51 .427 -2 .578 -3 .973 1.00 30 .16 O

HETATM 2386 O HOH A1107 55 .486 -5 .977 22 .457 1.00 30 .60 O

HETATM 2387 O HOH A1108 24 .285 -6 .912 10 .535 1.00 29 .35 O

HETATM 2388 O HOH A1109 29 .729 10 .950 14 .394 1.00 30 .56 O

HETATM 2389 O HOH AlIlO 34. .347 -5. .918 25 .194 1.00 29. .96 O

HETATM 2390 O HOH Allll 31. .894 2. .204 25 .659 1.00 30, .27 O

HETATM 2391 O HOH A1112 34. .958 8. .652 0 .956 1.00 30. .65 O

HETATM 2392 O HOH Al113 29. .880 6. .919 19 .377 1.00 31. .76 O

HETATM 2393 O HOH A1114 55. .025 21. .234 4. .668 1.00 30. .20 O

HETATM 2394 O HOH A1115 52. .803 22. 142 5. .543 1.00 30. .14 O

HETATM 2395 O HOH A1116 29. .942 -14. 072 14. .306 1.00 32. .19 O

HETATM 2396 O HOH A1117 22. 574 -5. 092 10. .073 1.00 30. 32 O

HETATM 2397 O HOH A1118 29. 916 -4. 785 -3. .859 1.00 31. 80 O

HETATM 2398 O HOH A1119 29. 548 -0. 956 25. 863 1.00 31. 91 O

HETATM 2399 O HOH A1120 41. 592 -19. 855 32. 942 1.00 31. 69 O

HETATM 2400 O HOH A1121 58. 069 -2. 532 0. 564 1.00 32. 33 O

HETATM 2401 O HOH A1122 54. 364 8. 798 10. 755 1.00 32. 00 O

HETATM 2402 O HOH A1123 49. 852 -5. 250 29. 827 1.00 32. 22 O

HETATM 2403 O HOH A1124 37. 887 11. 806 5. 646 1.00 31. 25 O

HETATM 2404 O HOH A1125 52. 918 -17. 804 -19. 315 1.00 32. 15 O

HETATM 2405 O HOH A1126 40. 418 5. 651 29. 553 1.00 34. 59 O

HETATM 2406 O HOH A1127 39. 712 -20. 914 -14. 236 1.00 33. 60 O

HETATM 2407 O HOH A1128 51. 038 7. 398 -0. 479 1.00 32. 89 O

HETATM 2408 O HOH A1129 44. 435 -19. 843 31. 006 1.00 32. 37 O

HETATM 2409 O HOH A1130 53. 551 -21. 401 20. 468 1.00 33. 04 O

HETATM 2410 O HOH A1131 36. 170 -17. 967 -5. 653 1.00 32. 84 O

HETATM 2411 O HOH A1132 58. 857 -15. 142 -4. 189 1.00 33. 19 O

HETATM 2412 O HOH A1133 57. 019 -12. 167 1. 918 1.00 33. 20 O

HETATM 2413 O HOH A1134 28. 339 -6. 197 0. 046 1.00 33. 81 O

HETATM 2414 O HOH A1135 30. 028 -11. 824 21. 076 1.00 37. 06 O

HETATM 2415 O HOH A1136 46. 649 -12. 942 0. 596 1.00 33. 53 O

HETATM 2416 O HOH A1137 44. 217 -22. 138 29. 535 1.00 33. 83 O

HETATM 2417 O HOH A1138 41. 995 12. 133 3. 522 1.00 33. 78 O

HETATM 2418 O HOH A1139 27. 837 6. 613 5. 885 1.00 32. 04 O

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»10691216 vl

HETATM[ 2419 O HOH: A1140 44.003 -22.828 25.162 1.00 34.66 O

HETATM : 2420 O HOH : A1141 35 .280 -12 .767 -11 .775 1.00 33 .94 O

HETATM 2421 O HOH Al 142 59 .294 -23 .019 0 .186 1.00 32 .22 O

HETATM 2422 O HOH A1143 60 .776 -3 .895 18 .080 1.00 33 .26 O

HETATM 2423 O HOH A1144 46 .622 -13 .206 33 .541 1.00 32 .59 O

HETATM 2424 O HOH A1145 54 .578 -10 .146 0 .187 1.00 33 .18 O

HETATM 2425 O HOH A1146 30 .179 -16 .798 14 .174 1.00 34 .45 O

HETATM 2426 O HOH A1147 48 .951 10 .493 18 .143 1.00 37 .02 O

HETATM 2427 O HOH A1148 34 .675 -19 .080 4 .910 1.00 34 .91 O

HETATM 2428 O HOH A1149 41 .007 -13 .586 -16 .807 1.00 32 .42 O

HETATM 2429 O HOH A1150 35 .482 1 .947 -10 .533 1.00 32 .61 O

HETATM 2430 O HOH A1151 33 .403 -16 .975 -11 .463 1.00 36 .55 O

HETATM 2431 O HOH A1152 48 .642 -14 .430 11 .474 1.00 35 .25 O

HETATM 2432 O HOH A1153 57 .078 -14 .500 -1 .895 1.00 35 .57 O

HETATM 2433 O HOH A1154 34 .340 -18 .057 -9 .119 1.00 36 .86 O

HETATM 2434 O HOH A1155 46 .005 3 .947 -6 .939 1.00 36 .16 O

HETATM 2435 O HOH A1156 26 .522 -9 .854 20 .578 1.00 35 .66 O

HETATM 2436 O HOH A1157 22 .712 -7 .200 15 .928 1.00 37 .89 O

HETATM 2437 O HOH A1158 28 .322 -6 .358 26 .675 1.00 34 .65 O

HETATM 2438 O HOH A1159 52 .372 -23 .753 18 .446 1.00 37 .81 O

HETATM 2439 O HOH A1160 53 .055 2 .091 20 .869 1.00 35 .79 O

HETATM 2440 O HOH A1161 42 .807 -18 .801 2 .083 1.00 36 .11 O

HETATM 2441 O HOH A1162 45 .986 18 .235 11 .643 1.00 39 .40 O

HETATM 2442 O HOH A1163 27 .245 -17 .614 15 .485 1.00 37 .74 O

HETATM 2443 O HOH A1164 35 .909 7 .297 23 .142 1.00 36 .32 O

HETATM 2444 O HOH A1165 53 .503 -0 .696 -8 .992 1.00 37 .19 O

HETATM 2445 O HOH A1166 51 .534 0 .417 24 .687 1.00 38 .41 O

HETATM 2446 O HOH A1167 43 .663 -10 .614 32 .824 1.00 35 .80 O

HETATM 2447 O HOH A1168 36 .828 9 .596 -5. .262 1.00 38 .46 O

HETATM 2448 O HOH A1169 64 .522 -9 .159 9 .860 1.00 37 .21 O

HETATM 2449 O HOH A1170 53 .274 -0 .971 22. .986 1.00 37 .86 O

HETATM 2450 O HOH A1171 38 .461 -20. .319 -5. .116 1.00 37. .98 O

HETATM 2451 O HOH A1172 51 .041 8. .850 16. .944 1.00 27. .43 O

HETATM 2452 O HOH A1173 24 .507 0. .881 2. ,703 1.00 42. .32 O

HETATM 2453 O HOH A1174 38. .911 4. 558 27. 550 1.00 38. .50 O

HETATM 2454 O HOH A1175 54. .570 1. 678 -1. 458 1.00 37. .53 O

HETATM 2455 O HOH A1176 43. .001 -2. 143 -11. 305 1.00 36. 85 O

HETATM 2456 O HOH A1177 38. 680 11. 712 0. 464 1.00 39. 52 O

HETATM 2457 O HOH A1178 43. 438 -6. 387 32. 081 1.00 39. 16 O

HETATM 2458 O HOH A1179 47. 740 -13. 756 5. 634 1.00 37. 32 O

HETATM 2459 O HOH A1180 37. 266 -18. 529 5. 630 1.00 40. 74 O

HETATM 2460 O HOH A1181 43. 714 0. 064 -9. 657 1.00 34. 99 O

HETATM 2461 O HOH A1182 47. 867 15. 109 3. 623 1.00 38. 33 O

HETATM 2462 O HOH A1183 54. 026 -25. 135 6. 962 1.00 37. 18 O

HETATM 2463 O HOH A1184 45. 352 12. 922 17. 738 1.00 38. 00 O

HETATM 2464 O HOH A1185 53. 020 -12. 620 31. 537 1.00 39. 68 O

HETATM 2465 O HOH A1186 50. 273 -15. 534 9. 455 1.00 38. 16 O

HETATM 2466 O HOH A1187 36. 835 14. 488 18. 482 1.00 38. 04 O

HETATM 2467 O HOH A1188 48. 759 1. 562 28. 474 1.00 37. 95 O

HETATM 2468 O HOH A1189 38. 824 -25. 032 -6. 083 1.00 40. 21 O

HETATM 2469 O HOH A1190 41. 510 9. 928 -6. 580 1.00 39. 05 O

HETATM 2470 O HOH A1191 59. 779 7. 252 10. 852 1.00 35. 92 O

HETATM 2471 O HOH A1192 52. 983 -26. 050 9. 414 1.00 39. 51 O

HETATM 2472 O HOH . A1193 59. 830 10. 924 6. 896 1.00 39. 07 O

HETATM 2473 O HOH . A1194 38. 171 -6. 454 - -16. 474 1.00 37. 38 O

HETATM 2474 O HOH , A1195 39. 019 -20. 677 31. 228 1.00 50. 07 O

HETATM 2475 O HOH . A1196 51. 674 -10. 939 -0. 082 1.00 39. 34 O

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010691216 vl

HETATM 2476 O HOH A1197 36.701 -19.109 -8.204 1.00 39.64 O

HETATM 2477 O HOH Al 198 57 .090 -12 .873 -14 .644 1.00 40 .99 O

HETATM 2478 O HOH A1199 43 .078 16 .586 6 .010 1.00 39 .69 O

HETATM 2479 O HOH A1200 47 .746 -15 .154 8 .025 1.00 41 .92 O

HETATM 2480 O HOH A1201 26 .653 _ ₇ .334 4 .081 1.00 40 .68 O

HETATM 2481 O HOH A1202 39 .832 13 .762 6 .620 1.00 42 .93 O

HETATM 2482 O HOH A1203 37 .829 17 .751 8 .751 1.00 40 .09 O

HETATM 2483 O HOH A1204 46 .430 -13 .431 -17 .852 1.00 41 .24 O

HETATM 2484 O HOH A1205 37 .769 .027 -13 .905 1.00 39 .63 O

HETATM 2485 O HOH A1206 27 .311 14 .099 9 .140 1.00 41 .12 O

HETATM 2486 O HOH A1207 60 .558 -16 .510 -2 .716 1.00 38 .38 O

HETATM 2487 O HOH A1208 32 .676 -5 .039 -8 .833 1.00 38 .34 O

HETATM 2488 O HOH A1209 58 .692 2 .408 0 .620 1.00 42 .64 O

HETATM 2489 O HOH A1210 41 .633 4 .653 24 .653 1.00 40 .23 O

HETATM 2490 O HOH A1211 33 .704 -3 .752 27 .614 1.00 44 .14 O

HETATM 2491 O HOH A1212 52 .311 -12 .384 3 .646 1.00 41 .14 O

HETATM 2492 O HOH A1213 56 .505 0 .810 -7 .094 1.00 40 .74 O

HETATM 2493 O HOH A1214 30 .319 -8 .010 -6 .923 1.00 42 .51 O

HETATM 2494 O HOH A1215 60 .951 15 .757 4 .419 1.00 45 .06 O

HETATM 2495 O HOH A1216 39 .280 12 .173 -3 .221 1.00 39 .14 O

HETATM 2496 O HOH A1217 28 .412 1 .193 24 .927 1.00 43 .79 O

HETATM 2497 O HOH A1218 55 .347 -14 .928 7 .553 1.00 40 .30 O

HETATM 2498 O HOH A1219 47 .711 -16 .133 13 .435 1.00 42 .38 O

HETATM 2499 O HOH A1220 43 .424 10 .984 -4 .411 1.00 41 .34 O

HETATM 2500 O HOH A1221 55 .905 -20 .770 -6 .947 1.00 44 .28 O

HETATM 2501 O HOH A1222 44 .859 14 .526 5 .022 1.00 40 .07 O

HETATM 2502 O HOH A1223 32. .080 -9 .126 -8 .490 1.00 38 .64 O

HETATM 2503 O HOH A1224 59. .488 -24 .680 -2 .609 1.00 41. .42 O

HETATM 2504 O HOH A1225 41. .234 8. .052 24. .281 1.00 43. .47 O

HETATM 2505 O HOH A1226 25. .203 -0. .605 0. .374 1.00 41. .69 O

HETATM 2506 O HOH A1227 29. .025 4. .232 1, .962 1.00 44. .44 O

HETATM 2507 O HOH A1228 33. 287 1. .021 28. .150 1.00 42. .91 O

HETATM 2508 O HOH A1229 27. 811 3. .537 22. .897 1.00 39. 30 O

HETATM 2509 O HOH A1230 32. 801 8. .437 -4. .899 1.00 44. 80 O

HETATM 2510 O HOH A1231 59. 585 -11. 007 -2. 044 1.00 43. 27 O

HETATM 2511 O HOH A1232 37. 638 -21. 350 12. 927 1.00 42. 40 O

HETATM 2512 O HOH A1233 64. 218 -9. 680 18. 034 1.00 39. 48 O

HETATM 2513 O HOH A1234 21. 821 -2. 809 2. 930 1.00 47. 88 O

HETATM 2514 O HOH A1235 47. 066 -15. 436 -15. 988 1.00 40. 89 O

HETATM 2515 O HOH A1236 50. 752 -17. 525 30. 000 1.00 42. 17 O

HETATM 2516 O HOH A1237 49. 174 -2. 273 29. 611 1.00 42. 05 O

HETATM 2517 O HOH A1238 58. 040 -0. 696 -3. 120 1.00 42. 03 O

HETATM 2518 O HOH A1239 49. 097 16. 356 11. 805 1.00 44. 47 O

HETATM 2519 O HOH A1240 25. 644 12. 594 5. 879 1.00 44. 05 O

HETATM 2520 O HOH A1241 61. 658 5. 328 11. 449 1.00 45. 31 O

HETATM 2521 O HOH A1242 42. 838 2. 231 24. 564 1.00 44. 41 O

HETATM 2522 O HOH A1243 25. 331 10. 229 12. 622 1.00 44. 84 O

HETATM 2523 O HOH A1244 61. 029 -0. 252 19. 183 1.00 39. 90 O

HETATM 2524 O HOH A1245 37. 007 -19. 556 -18. 290 1.00 45. 46 O

HETATM 2525 O HOH A1246 48. 865 -17. 604 9. 407 1.00 40. 51 O

HETATM 2526 O HOH A1247 46. 250 14. 588 1. 665 1.00 43. 18 O

HETATM 2527 O HOH A1248 61. 943 -4. 351 7. 724 1.00 47. 20 O

HETATM 2528 O HOH A1249 35. 349 -7. 803 33. 043 1.00 45. 31 O

HETATM 2529 O HOH A1250 42. 982 _ ^ 401 -16. 890 1.00 45. 10 O

HETATM 2530 O HOH . A1251 44. 528 -17. 436 9. 933 1.00 46. 75 O

HETATM 2531 O HOH . A1252 51. 484 -0. 639 28. 882 1.00 42. 66 O

HETATM 2532 O HOH . A1253 59. 386 3. 569 20. 419 1.00 43. 40 O

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#lO69!216 vl

HETATM 2533 O HOH A1254 45.333 2.989 26..845 1.00 42.73 O

HETATM 2534 O HOH A1255 51 .911 15 .759 9. .929 1. 00 47 .16 O

HETATM 2535 O HOH A1256 44 .242 -7 .789 -17. 431 1. 00 45 .24 O

HETATM 2536 O HOH A1257 38. .735 -23 .681 1. 597 1. 00 47 .56 O

HETATM 2537 O HOH A1258 43. .742 13 .833 2. 844 1. 00 46 .73 O

HETATM 2538 O HOH A1259 51. .678 -21 .410 22. 939 1. 00 43 .27 O

HETATM 2539 O HOH A1260 22. .780 -6 .487 21. 137 1. 00 45 .22 O

HETATM 2540 O HOH A1261 50. .747 -21 .142 7. 218 1. 00 43 .72 O

HETATM 2541 O HOH A1262 54. 828 0 .229 21. 229 1. 00 44 .68 O

HETATM 2542 O HOH A1263 55. 679 -8 .986 -18. 553 1. 00 49 .30 O

HETATM 2543 O HOH A1264 48. 357 5 .270 -7. 160 1. 00 48 .06 O

HETATM 2544 O HOH A1265 24. 231 -8 .724 20. 017 1. 00 43 .97 O

HETATM 2545 O HOH A1266 47. 047 -20 .275 32. 787 1. 00 52 .43 O

HETATM 2546 O HOH A1267 32. 721 9 .476 0. 051 1. 00 41 .39 O

HETATM 2547 O HOH A1268 40. 535 -14 .221 37. 295 1. 00 50 .37 O

HETATM 2548 O HOH A1269 54. 580 -18 .853 23. 017 1. 00 49 .05 O

HETATM 2549 O HOH A1270 58. 779 -13 .577 3. 446 1. 00 49 .31 O

HETATM 2550 O HOH A1271 45. 356 -21 .596 27. 181 1. 00 49 .84 O

HETATM 2551 O HOH A1272 29. 544 -9 .942 -3. 525 1. 00 48 .31 O

HETATM 2552 O HOH A1273 53. 746 -5 .696 27. 683 1. 00 45 .67 O

HETATM 2553 O HOH A1274 50. 224 _ 2 .474 -7. 518 1. 00 44 .90 O

HETATM 2554 O HOH A1275 43. 801 4 .922 -8. 648 1. 00 48 .90 O

HETATM 2555 O HOH A1276 29. 916 -1 .024 -11. 577 1. 00 49 .98 O

HETATM 2556 O HOH A1277 61. 805 - 4 .291 -14. 915 1. 00 53 .96 O

HETATM 2557 O HOH A1278 52. 005 -9 .886 29. 693 1. 00 51 .43 O

HETATM 2558 O HOH A1279 33. 308 -11 .128 -13. 204 1. 00 53 .16 O

HETATM 2559 O HOH A1280 48. 476 -7 .454 32. 387 1. 00 50 .48 O

HETATM 2560 O HOH A1281 52. 397 6 .035 -4. 067 1. 00 49 .10 O

HETATM 2561 O HOH A1282 23. 267 0 .955 17. 978 1. 00 51 .21 O

HETATM 2562 O HOH A1283 26. 031 6 .313 18. 268 1. 00 51 .67 O

MASTER 286 0 0 14 10 0 0 6 2561 1 0 25

END

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» 10691216 vl

APPENDIX B

CRYSTAL COORDINATES OF COMPLEX BETWEEN PP2A-SPECIFIC METHYLESTERASE PME-I AND

PP2A

HEADER HYDROLASE 01-FEB-08 3C5W

TITLE COMPLEX BETWEEN PP2A-SPECIFIC METHYLESTERASE PME-I AND PP2A

TITLE 2 CORE ENZYME

COMPND MOL _^ ID: 1;

COMPND 2 MOLECULE: PP2A A SUBUNIT;

COMPND 3 CHAIN: A;

COMPND 4 ENGINEERED: YES;

COMPND 5 MOL__ID: 2;

COMPND 6 MOLECULE: PP2A C SUBUNIT;

COMPND 7 CHAIN: C;

COMPND 8 ENGINEERED: YES ;

COMPND 9 MOL_ID : 3 ;

COMPND 10 MOLECULE: PP2A-SPECIFIC METHYLESTERASE PME-I;

COMPND 11 CHAIN: P;

COMPND 12 ENGINEERED: YES

SOURCE MOL_ID : 1 ;

SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;

SOURCE 3 ORGANISM_COMMON: HUMAN;

SOURCE 4 GENUS: HOMO;

SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;

SOURCE 6 EXPRESSION_SYSTEM_GENUS: ESCHERICHIA;

SOURCE 7 MOL_ID: 2;

SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS;

SOURCE 9 ORGANISM_COMMON: HUMAN;

SOURCE 10 GENUS: HOMO;

SOURCE 11 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;

SOURCE 12 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM;

SOURCE 13 EXPRESSION_SYSTEMJ3ENUS : SPODOPTERA;

SOURCE 14 BACULOVIRUS;

SOURCE 15 MOL_ID: 3 ;

SOURCE 16 ORGANISM_SCIENTIFIC : HOMO SAPIENS;

SOURCE 17 ORGANISM_C0MM0N: HUMAN;

SOURCE 18 GENUS: HOMO;

SOURCE 19 EXPRESSION_SYSTEM: ESCHERICHIA COLI;

SOURCE 20 EXPRESSI0N_SYSTEMJ3ENUS : ESCHERICHIA

KEYWDS METHYLESTERASE, PHOSPHATASE, PP2A, HYDROLASE

EXPDTA X-RAY DIFFRACTION

AUTHOR Y.XING, Z. LI, Y. CHEN, J. STOCK, P . D. JEFFREY, Y. SHI

REVDAT 2 10-JUN-08 3C5W 1 JRNL

REVDAT 1 15-APR-08 3C5W O

JRNL AUTH Y.XING, Z.LI, Y.CHEN, J. B. STOCK, P . D. JEFFREY, Y . SHI

JRNL TITL STRUCTURAL MECHANISM OF DEMETHYLATION AND

JRNL TITL 2 INACTIVATION OF PROTEIN PHOSPHATASE 2A.

JRNL REF CELL (CAMBRIDGE, MASS. ) V. 133 154 2008

JRNL REFN ASTM CELLB5 US ISSN 0092-8674

REMARK 1

REMARK 2

REMARK 2 RESOLUTION. 2.80 ANGSTROMS .

REMARK 3

REMARK 3 REFINEMENT.

REMARK 3 PROGRAM REFMAC 5.3.0038

REMARK 3 AUTHORS MURSHUDOV, VAGIN, DODSON

REMARK 3

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#10691216 vl

REMARK 3 REFINEMENT TARGET MAXIMUM LIKELIHOOD

REMARK 3

REMARK 3 DATA USED IN REFINEMENT.

REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80

REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00

REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000

REMARK 3 COMPLETENESS FOR RANGE (%) : 98.6

REMARK 3 NUMBER OF REFLECTIONS : 19235

REMARK 3

REMARK 3 FIT TO DATA USED IN REFINEMENT.

REMARK 3 CROSS-VALIDATION METHOD THROUGHOUT

REMARK 3 FREE R VALUE TEST SET SELECTION RANDOM

REMARK 3 R VALUE (WORKING + TEST SET) 0.198

REMARK 3 R VALUE (WORKING SET) 0.195

REMARK 3 FREE R VALUE 0.263

REMARK 3 FREE R VALUE TEST SET SIZE (%) 5.000

REMARK 3 FREE R VALUE TEST SET COUNT 1018

REMARK 3

REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.

REMARK 3 TOTAL NUMBER OF BINS USED 20

REMARK 3 BIN RESOLUTION RANGE HIGH 2.80

REMARK 3 BIN RESOLUTION RANGE LOW 2.87

REMARK 3 REFLECTION IN BIN (WORKING SET) 1356

REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) 95.66

REMARK 3 BIN R VALUE (WORKING SET) 0.2460

REMARK 3 BIN FREE R VALUE SET COUNT 76

REMARK 3 BIN FREE R VALUE 0.3280

REMARK 3

REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.

REMARK 3 ALL ATOMS : 6504

REMARK 3

REMARK 3 B VALUES.

REMARK 3 FROM WILSON PLOT (A**2) NULL

REMARK 3 MEAN B VALUE (OVERALL, A**2) 44.74

REMARK 3 OVERALL ANISOTROPIC B VALUE.

REMARK 3 BIl (A**2) -3.32000

REMARK 3 B22 (A**2) 1.39000

REMARK 3 B33 (A**2) 0.93000

REMARK 3 B12 (A**2) 0.00000

REMARK 3 B13 (A**2) -1.39000

REMARK 3 B23 (A**2) 0.00000

REMARK 3

REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.

REMARK 3 ESU BASED ON R VALUE (A) : NULL

REMARK 3 ESU BASED ON FREE R VALUE (A) : 0.438

REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A) : 0.325

REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2) : 34.630

REMARK 3

REMARK 3 CORRELATION COEFFICIENTS .

REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.933

REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.874

REMARK 3

REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT

REMARK 3 BOND LENGTHS REFINED ATOMS (A) : 6579 ; 0.007 ; 0.022

REMARK 3 BOND LENGTHS OTHERS (A) : NULL ; NULL ; NULL

REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES) : 8922 ; 1.087 ; 1.964

REMARK BOND ANGLES OTHERS (DEGREES) : NULL ; NULL NULL

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«10691216 vl

REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES) : 811 ; 5.123 5.000

REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES) : 297 ; 39.029 24.276

REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES) 1142 ; 18.005 15.000

REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES) 39 ; 16.990 15.000

REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3) 1005 ; 0.072 0.200

REMARK 3 GENERAL PLANES REFINED ATOMS (A) 4950 ^• 0.003 0.020

REMARK 3 GENERAL PLANES OTHERS (A) NULL NULL NULL

REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A) 3244 ^■ 0.194 0.200

REMARK 3 NON-BONDED CONTACTS OTHERS (A) NULL NULL NULL

REMARK 3 NON-BONDED TORSION REFINED ATOMS (A) 4503 0.301 0.200

REMARK 3 NON-BONDED TORSION OTHERS (A) NULL NULL NULL

REMARK 3 H-BOND (X... Y) REFINED ATOMS (A) 235 0.130 0.200

REMARK 3 H-BOND (X... Y) OTHERS (A) NULL NULL NULL

REMARK 3 POTENTIAL METAL- ION REFINED ATOMS (A) NULL NULL NULL

REMARK 3 POTENTIAL METAL-ION OTHERS (A) . NULL NULL NULL

REMARK 3 SYMMETRY VDW REFINED ATOMS (A) : 62 , 0.154 0.200

REMARK 3 SYMMETRY VDW OTHERS (A) : NULL , NULL NULL

REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A) : 10 , 0.155 0 . 200

REMARK 3 SYMMETRY H-BOND OTHERS (A) : NULL , NULL NULL

REMARK 3 SYMMETRY METAL- ION REFINED ATOMS (A) : NULL , NULL NULL

REMARK 3 SYMMETRY METAL- ION OTHERS (A) : NULL ; NULL NULL

REMARK 3

REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS . COUNT RMS WEIGHT

REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2) : 4175 ; 0.249 ; 1 . 500

REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2) : NULL ; NULL NULL

REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2) : 6557 ; 0.445 ; 2 . 000

REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2) : 2730 ; 0.633 ; 3 . 000

REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2) : 2365 ; 1.049 ; 4 . 500

REMARK 3

REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT

REMARK 3 RIGID-BOND RESTRAINTS (A**2) : NULL ; NULL ; NULL

REMARK 3 SPHERICITY; FREE ATOMS (A**2) : NULL ; NULL ; NULL

REMARK 3 SPHERICITY; BONDED ATOMS (A**2) : NULL ; NULL : NULL

REMARK 3

REMARK 3 NCS RESTRAINTS STATISTICS

REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : 0

REMARK 3

REMARK 3 TLS DETAILS

REMARK 3 NUMBER OF TLS GROUPS : 5

REMARK 3

REMARK 3 TLS GROUP : 1

REMARK 3 NUMBER OF COMPONENTS GROUP : 1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE : A 9 A 46

REMARK 3 ORIGIN FOR THE GROUP (A) : -35.9461 2.1780 42.6351

REMARK 3 T TENSOR

REMARK 3 TIl : .3270 T22 : .4444

REMARK 3 T33 .1794 T12 .0837

REMARK 3 T13 .0498 T23 - .0687

REMARK 3 L TENf 3OR

REMARK 3 LIl 11.0328 L22 6.9677

REMARK 3 L33 6.9044 L12 -2.4129

REMARK 3 L13 -2.1094 L23 .4251

REMARK 3 S TEN£ 3OR

REMARK 3 SIl .3782 S12 .0349 S13: - .1889

REMARK 3 S21 .2988 S22 -.2210 S23: .9352

REMARK 3 S31: .9379 S32 -.2054 S33: .1573

-92-

#10691216 \ I

REMARK 3

REMARK 3 TLS GROUP : 2

REMARK 3 NUMBER OF COMPONENTS GROUP : 1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE : A 402 A 454

REMARK 3 ORIGIN FOR THE GROUP (A) : -34.4704 2.9924 28.3509

REMARK 3 T TENSOR

REMARK 3 TIl : .0857 T22 -.0594

REMARK 3 T33 .3068 T12 - .0145

REMARK 3 T13 : .0566 T23 .0778

REMARK 3 L TEN ξOR

REMARK 3 LIl : 10 .5488 L22 1.0825

REMARK 3 L33 : 7 .2277 L12 -2.0080

REMARK 3 L13 : -4 .4543 L23 1.7018

REMARK 3 S TEN 3OR

REMARK 3 SIl : .5512 S12 -.7235 S13: .7518

REMARK 3 S21 : .2593 S22 .3857 S23: .9387

REMARK 3 S31 . .4504 S32 -.3627 S33: .1655

REMARK 3

REMARK 3 TLS GROUP : 3

REMARK 3 NUMBER OF COMPONENTS GROUP : 1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE : A 455 A 589

REMARK 3 ORIGIN FOR THE ( 3ROUP (A) : -28.0487 -8.7261 7.2781

REMARK 3 T TENSOR

REMARK 3 TIl .0515 T22 .3031

REMARK 3 T33 - 1483 T12 - .2975

REMARK 3 T13 - 0379 T23 .0178

REMARK 3 L TENS ;OR

REMARK 3 LIl: 4 4106 L22 1.6241

REMARK 3 L33 : 2 2941 L12 .3187

REMARK 3 L13: -2 6385 L23 -.6808

REMARK 3 S TENS OR

REMARK 3 SIl: 3509 S12 1.2696 S13: -.3582

REMARK 3 S21: 5932 S22 .1747 S23: .5516

REMARK 3 S31: 2963 S32 - .7657 S33 : .1763

REMARK 3

REMARK 3 TLS GROUP : 4

REMARK 3 NUMBER OF COMPONENTS GROUP : 1

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE : C 6 C 293

REMARK 3 ORIGIN FOR THE GROUP (A) : 1.5805 -2.8999 20.9402

REMARK 3 T TENSOR

REMARK 3 TIl: 2067 T22: - .2771

REMARK 3 T33: 2787 T12 : - .0494

REMARK 3 T13 : 0212 T23 : - .0078

REMARK 3 L TENSOR

REMARK 3 LIl: 3. 1165 L22: 1.8864

REMARK 3 L33: 2. 4860 L12 : .4031

REMARK 3 L13: 1517 L23 : - .2950

REMARK 3 S TENSOR

REMARK 3 SIl: 0511 S12 : .2420 S13: - .1052

REMARK 3 S21: 0734 S22 : .0574 S23: -.0669

REMARK 3 S31: 3041 S32: .0489 S33: -.0063

REMARK 3

REMARK 3 TLS GROUP : 5

REMARK 3 NUMBER OF COMPONENTS ( 3ROUP : 2

-93-

« IO69I 2 I 6 \ I

REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI

REMARK 3 RESIDUE RANGE : P 39 P 376

REMARK 3 RESIDUE RANGE : C 304 C 309

REMARK 3 ORIGIN FOR THE GROUP (A) : 21 .6125 1.2218 52.5886

REMARK 3 T TENSOR

REMARK 3 TIl : -.1149 T22 : -.0634

REMARK 3 T33 : - .0996 T12 : -.0943

REMARK 3 T13 -.0792 T23 -.024S

REMARK 3 L TEN; 3OR

REMARK 3 LIl 2.3233 L22 2.6104

REMARK 3 L33 3.7488 L12 - .9654

REMARK 3 L13 .7763 L23 -1.8643

REMARK 3 S TEN5 3OR

REMARK 3 SIl -.1714 S12 -.1943 S13: .0232

REMARK 3 S21 .4565 S22 - .1691 S23: -.4014

REMARK 3 S31 -.3589 S32 .4543 S33: .3405

REMARK 3

REMARK 3 BULK SOLVENT MODELLING.

REMARK 3 METHOD USED : BABINET MODEL WITH MASK

REMARK 3 PARAMETERS FOR MASK CALCULATION

REMARK 3 VDW PROBE RADIUS : 1.20

REMARK 3 ION PROBE RADIUS : 0.80

REMARK 3 SHRINKAGE RADIUS : 0.80

REMARK 3

REMARK 3 OTHER REFINEMENT REMARKS : NULL

REMARK 4

REMARK 4 3C5W COMPLIES WITH FORMAT V. 3.1 , 01-AUG-2007

REMARK 100

REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.

REMARK 100 THE RCSB ID CODE IS RCSB046380.

REMARK 200

REMARK 200 EXPERIMENTAL DETAILS

REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION

REMARK 200 DATE OF DATA COLLECTION : 10-SEP-2007

REMARK 200 TEMPERATURE (KELVIN) : 100.0

REMARK 200 PH : 7.50

REMARK 200 NUMBER OF CRYSTALS USED : 1

REMARK 200

REMARK 200 SYNCHROTRON (Y/N) : Y

REMARK 200 RADIATION SOURCE : NSLS

REMARK 200 BEAMLINE X29A

REMARK 200 X-RAY GENERATOR MODEL NULL

REMARK 200 MONOCHROMATIC OR LAUE (M/L) M

REMARK 200 WAVELENGTH OR RANGE (A) 1.0809

REMARK 200 MONOCHROMATOR SI(IIl)

REMARK 200 OPTICS NULL

REMARK 200

REMARK 200 DETECTOR TYPE CCD

REMARK 200 DETECTOR MANUFACTURER ADSC QUANTUM 315

REMARK 200 INTENSITY- INTEGRATION SOFTWARE DENZO

REMARK 200 DATA SCALING SOFTWARE SCALEPACK

REMARK 200

REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20623

REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800

REMARK 200 RESOLUTION RANGE LOW (A) : 100.000

REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000

REMARK 200

-94- rf lO69!2l6 v!

REMARK 200 OVERALL .

REMARK 200 COMPLETENESS FOR RANGE (%) : 98.6

REMARK 200 DATA REDUNDANCY : 3.000

REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.09500 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL RANGE HIGH (A) 2.80 REMARK 200 HIGHEST RESOLUTION SHELL RANGE LOW (A) 2.90 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.7 REMARK 200 DATA REDUNDANCY IN SHELL 2.90 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (D : 0.40000 REMARK 200 <I/SIGMA(I)> FOR SHELL NULL

REMARK 200

REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH

REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT

REMARK 200 SOFTWARE USED: PHASER

REMARK 200 STARTING MODEL: PP2A A SUBUNIT, PP2A C SUBUNIT, PME-I MONOMER

REMARK 200

REMARK 200 REMARK: NULL

REMARK 280

REMARK 280 CRYSTAL

REMARK 280 SOLVENT CONTENT, VS (%) : 43.22

REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS* * 3 /DA) : 2.17

REMARK 280

REMARK 280 CRYSTALLIZATION CONDITIONS: 25% W/V PEG3350, 100 MM AMMONIUM

REMARK 280 CITRATE, AND 5 MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING DROP,

REMARK 280 TEMPERATURE 290K

REMARK 290

REMARK 290 CRYSTALLOGRAPHIC SYMMETRY

REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1

REMARK 290

REMARK 290 SYMOP SYMMETRY

REMARK 290 NNNMMM OPERATOR

REMARK 290 1555 X, Y, Z

REMARK 290 2555 -X, Y, -Z

REMARK 290 3555 1/2+X, 1/2+Y, Z

REMARK 290 4555 1/2-X, 1/2+Y, -Z

REMARK 290

REMARK 290 WHERE NNN -> OPERATOR NUMBER

REMARK 290 MMM -> TRANSLATION VECTOR

REMARK 290

REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS

REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM

REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY

REMARK 290 RELATED MOLECULES.

REMARK 290 SMTRYl 1 1.000000 0.000000 0.000000 0.00000

REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000

REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000

REMARK 290 SMTRYl 2 -1.000000 0.000000 0.000000 0.00000

REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000

REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000

REMARK 290 SMTRYl 3 1.000000 0.000000 0.000000 64.64600

REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 27.41950

REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000

-95-

1*10691216 vl

REMARK 290 SMTRYl 4 -1.000000 0.000000 0.000000 64.64600 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 27.41950 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK : NULL REMARK 300 REMARK 300 BIOMOLECULE : 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE : 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4920 ANGSTROM** 2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, P REMARK 350 BIOMTl 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSEQ=SEQUEHCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSEQI REMARK 465 GLY A 5 REMARK 465 SER A 6 REMARK 465 HIS A 7 REMARK 465 MET A 8 REMARK 465 GLY C 0 REMARK 465 MET C 1 REMARK 465 ASP C 2 REMARK 465 GLU C 3 REMARK 465 LYS C 4 REMARK 465 VAL C 5 REMARK 465 ARG C 294 REMARK 465 ARG C 295 REMARK 465 GLY C 296 REMARK 465 GLU C 297 REMARK 465 PRO C 298 REMARK 465 HIS C 299 REMARK 465 VAL C 300 REMARK 465 THR C 301 REMARK 465 ARG C 302 REMARK 465 ARG C 303 REMARK 465 GLY P 35 REMARK 465 SER P 36 REMARK 465 HIS P 37

-96-

&I069I216 vl

REMARK 465 MET P 38

REMARK 465 GLU P 239

REMARK 465 GLY P 240

REMARK 465 GLY P 377

REMARK 465 GLY P 378

REMARK 465 PHE P 379

REMARK 465 GLN P 380

REMARK 465 CYS P 381

REMARK 465 VAL P 382

REMARK 465 PHE P 383

REMARK 465 PRO P 384

REMARK 465 GLY P 385

REMARK 465 CYS P 386

REMARK 500

REMARK 500 GEOMETRY AND ST

REMARK 500 SUBTOPIC: TORSION ANGLES

REMARK 500

REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:

REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;

REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) .

REMARK 500

REMARK 500 STANDARD TABLE:

REMARK 500 FORMAT: (10X, 13 , IX, A3 , IX, Al, 14 , Al , 4X, F7.2 , 3X, F7.2 )

REMARK 500

REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996) . PHI/PSI-

REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400

REMARK 500

REMARK 500 M RES CSSEQI PSI PHI

REMARK 500 LYS A 34 -14. 48 -159 .53

REMARK 500 LEU A 42 80. 86 -168 .34

REMARK 500 LEU A 404 -33. 18 -148 .07

REMARK 500 GLU A 441 -98. 38 -65 .77

REMARK 500 SER A 587 7. 49 59 .11

REMARK 500 ASP C 88 -113. 24 -153 .79

REMARK 500 TYR C 91 -64. 70 -96 .20

REMARK 500 ASN C 139 -158. 96 -101 .87

REMARK 500 GLN C 162 -45. 20 -131 .29

REMARK 500 ALA C 240 -131. 42 -125 .03

REMARK 500 HIS C 241 -31. 72 78 .98

REMARK 500 TYR C 267 18. 76 59 .43

REMARK 500 ARG C 268 -16. 63 -142 .78

REMARK 500 ASP C 279 -166. 68 -78 .63

REMARK 500 ASP C 306 53. 33 -98 .11

REMARK 500 ASN P 60 -118. 74 -139 .74

REMARK 500 ARG P 68 112. 70 81 .62

REMARK 500 HIS P 87 -156. 95 -105 .94

REMARK 500 SER P 114 -5. 57 66 .88

REMARK 500 TYR P 143 -72. 73 -127 .07

REMARK 500 ALA P 156 -115. 60 39 .27

REMARK 500 ARG P 201 151. 88 -48 .59

REMARK 500 GLU P 290 79. 34 -67 .37

REMARK 500 PRO P 313 48. 01 -79 .23

REMARK 500

REMARK 500 REMARK: NULL

REMARK 900

REMARK 900 RELATED ENTRIES

REMARK 900 RELATED ID : 3C5V RELATED DB : PDB

-97-

^ 10691216 v!

REMARK 900 PME-I MONOMER

REMARK 999

REMARK 999 SEQUENCE

REMARK 999 CHAIN A HAS 47-399 RESIDUES DELETION AND CHAIN P HAS 239-

REMARK 999 283 LOOP REPLACED BY EGK. THE PROTEIN CONSTRUCT (CHAIN P)

REMARK 999 IS A NON-CATALYTIC MUTANT WITH SER156 REPLACED BY ALA.

DBREF 3C5W A 9 46 UNP P30153 2AAA_HUMAN 9 46

DBREF 3C5W A 400 589 UNP P30153 2AAA_HUMAN 400 589

DBREF 3C5W C 1 309 UNP P67775 PP2AA_HUMAN 309

DBREF 3C5W P 39 238 UNP Q9Y570 PPMEI _N HUMAN 39 238

DBREF 3C5W P 284 386 UNP Q9Y570 PPMEI _N HUMAN 284 386

SEQADV 3C5W GLY A 5 UNP P30153 EXPRESSION TAG

SEQADV 3C5W SER A 6 UNP P30153 EXPRESSION TAG

SEQADV 3C5W HIS A 7 UNP P30153 EXPRESSION TAG

SEQADV 3C5W MET A 8 UNP P30153 EXPRESSION TAG

SEQADV 3C5W GLY C 0 UNP P67775 EXPRESSION TAG

SEQADV 3C5W GLY P 35 UNP Q9Y570 EXPRESSION TAG

SEQADV 3C5W SER P 36 UNP Q9Y570 EXPRESSION TAG

SEQADV 3C5W HIS P 37 UNP Q9Y570 EXPRESSION TAG

SEQADV 3C5W MET P 38 UNP Q9Y570 EXPRESSION TAG

SEQADV 3C5W ALA P 156 UNP Q9Y570 SER 156 SEE REMARK 999

SEQADV 3C5W GLU P 239 UNP Q9Y570 SEE REMARK 999

SEQADV 3C5W GLY P 240 UNP Q9Y570 SEE REMARK 999

SEQADV 3C5W LYS P 283 UNP Q9Y570 SEE REMARK 999

SEQRES 1 A 232 GLY SER HIS MET SER LEU TYR PRO ILE ALA VAL LEU ILE

SEQRES 2 A 232 ASP GLU LEU ARG ASN GLU ASP VAL GLN LEU ARG LEU ASN

SEQRES 3 A 232 SER ILE LYS LYS LEU SER THR ILE ALA LEU ALA LEU GLY

SEQRES 4 A 232 VAL GLU ARG LEU SER GLN SER LEU LEU PRO ALA ILE VAL

SEQRES 5 A 232 GLU LEU ALA GLU ASP ALA LYS TRP ARG VAL ARG LEU ALA

SEQRES 6 A 232 ILE ILE GLU TYR MET PRO LEU LEU ALA GLY GLN LEU GLY

SEQRES 7 A 232 VAL GLU PHE PHE ASP GLU LYS LEU ASN SER L HEU CYS MET

SEQRES 8 A 232 ALA TRP LEU VAL ASP HIS VAL TYR ALA ILE ARG GLU ALA

SEQRES 9 A 232 ALA THR SER ASN LEU LYS LYS LEU VAL GLU LYS PHE GLY

SEQRES 10 A 232 LYS GLU TRP ALA HIS ALA THR ILE ILE PRO LYS VAL LEU

SEQRES 11 A 232 ALA MET SER GLY ASP PRO ASN TYR LEU HIS ARG MET THR

SEQRES 12 A 232 THR LEU PHE CYS ILE ASN VAL LEU SER GLU VAL CYS GLY

SEQRES 13 A 232 GLN ASP ILE THR THR LYS HIS MET LEU PRO THR VAL LEU

SEQRES 14 A 232 ARG MET ALA GLY ASP PRO VAL ALA ASN VAL ARG PHE ASN

SEQRES 15 A 232 VAL ALA LYS SER LEU GLN LYS ILE GLY PRO ILE LEU ASP

SEQRES 16 A 232 ASN SER THR LEU GLN SER GLU VAL LYS PRO ILE LEU GLU

SEQRES 1 177 A 232 LYS LEU THR GLN ASP GLN ASP VAL ASP VAL LYS TYR PHE

SEQRES 18 232 ALA GLN GLU ALA LEU THR VAL LEU SER LEU ALA

SEQRES 1 310 GLY MET ASP GLU LYS VAL PHE THR LYS GLU LEU ASP GLN

SEQRES 2 310 TRP ILE GLU GLN LEU ASN GLU CYS LYS GLN LEU SER GLU

SEQRES 3 310 SER GLN VAL LYS SER LEU CYS GLU LYS ALA LYS GLU ILE

SEQRES 4 310 LEU THR LYS GLU SER ASN VAL GLN GLU VAL ARG CYS PRO

SEQRES 5 310 VAL THR VAL CYS GLY ASP VAL HIS GLY GLN PHE HIS ASP

SEQRES 6 310 LEU MET GLU LEU PHE ARG ILE GLY GLY LYS SER PRO ASP

SEQRES 7 310 THR ASN TYR LEU PHE MET GLY ASP TYR VAL ASP ARG GLY

SEQRES 310 TYR TYR SER VAL GLU THR VAL THR LEU LEU VAL ALA LEU

SEQRES 9 310 LYS VAL ARG TYR ARG GLU ARG ILE THR ILE LEU ARG GLY

SEQRES 10 310 ASN HIS GLU SER ARG GLN ILE THR GLN VAL TYR GLY PHE

SEQRES 11 310 TYR ASP GLU CYS LEU ARG LYS TYR GLY ASN ALA ASN VAL

SEQRES 12 310 TRP LYS TYR PHE THR ASP LEU PHE ASP TYR LEU PRO LEU

SEQRES 13 310 THR ALA LEU VAL ASP GLY GLN ILE PHE CYS LEU HIS GLY

SEQRES 14 310 GLY LEU SER PRO SER ILE ASP THR LEU ASP HIS ILE ARG

SEQRES 15 310 ALA LEU ASP ARG LEU GLN GLU VAL PRO HIS GLU GLY PRO

-98-

010691216 v I

SEQRES 16 C 310 MET CYS ASF' LEU LEU' TRP SER ASP PRO ASP ASP ARG GLY

SEQRES 17 C 310 GLY TRP GLY ILE SER PRO ARG GLY ALA GLY TYR THR PHE

SEQRES 18 C 310 GLY GLN ASP ILE SER GLU THR PHE ASN HIS ALA ASN GLY

SEQRES 19 C 310 LEU THR LEU VAL SER ARG ALA HIS GLN LEU VAL MET GLU

SEQRES 20 C 310 GLY TYR ASN TRP CYS HIS ASP ARG ASN VAL VAL THR ILE

SEQRES 21 C 310 PHE SER ALA PRO ASN TYR CYS TYR ARG CYS GLY ASN GLN

SEQRES 22 C 310 ALA ALA ILE MET GLU LEU ASP ASP THR LEU LYS TYR SER

SEQRES 23 C 310 PHE LEU GLN PHE ASP PRO ALA PRO ARG ARG GLY GLU PRO

SEQRES 24 C 310 HIS VAL THR ARG ARG THR PRO ASP TYR PHE LEU

SEQRES 1 P 310 GLY SER HIS MET ARG ASP PHE SER PRO VAL PRO TRP SER

SEQRES 2 P 310 GLN TYR PHE GLU SER MET GLU ASP VAL GLU VAL GLU ASN

SEQRES 3 P 310 GLU THR GLY LYS ASP THR PHE ARG VAL TYR LYS SER GLY

SEQRES 4 P 310 SER GLU GLY PRO VAL LEU LEU LEU LEU HIS GLY GLY GLY

SEQRES 5 P 310 HIS SER ALA LEU SER TRP ALA VAL PHE THR ALA ALA ILE

SEQRES 6 P 310 ILE SER ARG VAL GLN CYS ARG ILE VAL ALA LEU ASP LEU

SEQRES 7 P 310 ARG SER HIS GLY GLU THR LYS VAL LYS ASN PRO GLU ASP

SEQRES 8 P 310 LEU SER ALA GLU THR MET ALA LYS ASP VAL GLY ASN VAL

SEQRES 9 P 310 VAL GLU ALA MET TYR GLY ASP LEU PRO PRO PRO ILE MET

SEQRES 10 P 310 LEU ILE GLY HIS ALA MET GLY GLY ALA ILE ALA VAL HIS

SEQRES 11 P 310 THR ALA SER SER ASN LEU VAL PRO SER LEU LEU GLY LEU

SEQRES 12 P 310 CYS MET ILE ASP VAL VAL GLU GLY THR ALA MET ASP ALA

SEQRES 13 P 310 LEU ASN SER MET GLN ASN PHE LEU ARG GLY ARG PRO LYS

SEQRES 14 P 310 THR PHE LYS SER LEU GLU ASN ALA ILE GLU TRP SER VAL

SEQRES 15 P 310 LYS SER GLY GLN ILE ARG ASN LEU GLU SER ALA ARG VAL

SEQRES 16 P 310 SER MET VAL GLY GLN VAL LYS GLN CYS GLU GLY LYS PRO

SEQRES 17 P 310 TYR THR TRP ARG ILE GLU LEU ALA LYS THR GLU LYS TYR

SEQRES 18 P 310 TRP ASP GLY TRP PHE ARG GLY LEU SER ASN LEU PHE LEU

SEQRES 19 P 310 SER CYS PRO ILE PRO LYS LEU LEU LEU LEU ALA GLY VAL

SEQRES 20 P 310 ASP ARG LEU ASP LYS ASP LEU THR ILE GLY GLN MET GLN

SEQRES 21 P 310 GLY LYS PHE GLN MET GLN VAL LEU PRO GLN CYS GLY HIS

SEQRES 22 P 310 ALA VAL HIS GLU ASP ALA PRO ASP LYS VAL ALA GLU ALA

SEQRES 23 P 310 VAL ALA THR PHE LEU ILE ARG HIS ARG PHE ALA GLU PRO

SEQRES 24 P 310 ILE GLY GLY PHE GLN CYS VAL PHE PRO GLY CYS

FORMUL 4 HOH *62 (H2 O)

HELIX 1 1 TYR A 11 ARG A 21 1 11

HELIX 2 2 ASP A 24 LYS A 33 1 10

HELIX 3 3 LYS A 34 GLY A 43 1 10

HELIX 4 4 GLU A 45 SER A 403 1 6

HELIX 5 5 LEU A 404 ALA A 412 1 9

HELIX 6 6 LYS A 416 GLU A 425 1 10

HELIX 7 7 TYR A 426 GLY A 435 1 10

HELIX 8 8 VAL A 436 PHE A 439 5 4

HELIX 9 9 LYS A 442 LEU A 451 1 10

HELIX 10 10 VAL A 455 GLY A 474 1 20

HELIX 11 11 GLY A 474 THR A 481 1 8

HELIX 12 12 THR A 481 MET A 489 1 9

HELIX 13 13 SER A 490 ASP A 492 5 3

HELIX 14 14 ASN A 494 MET A 521 1 28

HELIX 15 15 MET A 521 MET A 528 1 8

HELIX 16 16 ALA A 529 ASP A 531 5 3

HELIX 17 17 VAL A 533 GLY A 548 1 16

HELIX 18 18 PRO A 549 LEU A 551 5 3

HELIX 19 19 ASP A 552 GLU A 559 1 8

HELIX 20 20 VAL A 560 GLN A 569 1 10

HELIX 21 21 ASP A 572 LEU A 586 1 15

HELIX 22 22 PHE C 6 . ASN C 18 1 13

HELIX 23 23 SER C 24 : LYS C 41 1 18

-99- rf 10691216 vl

HELIX 24 24 GLN C 61 GLY C 73 1 13

HELIX 25 25 TYR C 92 TYR C 107 1 16

HELIX 26 26 SER C 120 GLY C 128 1 9

HELIX 27 27 GLY C 128 GLY C 138 1 11

HELIX 28 28 ALA C 140 ASP C 151 1 12

HELIX 29 29 THR C 176 LEU C 183 1 8

HELIX 30 30 GLY C 193 SER C 201 1 9

HELIX 31 31 GLY C 221 ASN C 232 1 12

HELIX 32 32 ASN C 264 ARG C 268 5 5

HELIX 33 33 PRO P 45 TYR P 49 5 5

HELIX 34 34 SER P 88 SER P 91 5 4

HELIX 35 35 TRP P 92 SER P 101 1 10

HELIX 36 36 SER P 127 TYR P 143 1 17

HELIX 37 37 ALA P 156 SER P 168 1 13

HELIX 38 38 VAL P 183 ARG P 199 1 17

HELIX 39 39 SER P 207 SER P 218 1 12

HELIX 40 40 ASN P 223 MET P 231 1 9

HELIX 41 41 GLU P 290 LYS P 296 5 7

HELIX 42 42 TYR P 297 ARG P 303 1 7

HELIX 43 43 GLY P 304 CYS P 312 1 9

HELIX 44 44 GLY P 322 LEU P 326 5 5

HELIX 45 45 ASP P 327 GLN P 336 1 10

HELIX 46 46 ALA P 350 ALA P 355 1 6

HELIX 47 47 ALA P 355 HIS P 370 1 16

SHEET 1 A 6 VAL C 45 VAL C 48 0

SHEET 2 A 6 THR C 156 VAL C 159 1 O LEU C 158 N VAL C 48

SHEET 3 A 6 ILE C 163 LEU C 166 -1 O CYS C 165 N ALA C 157

SHEET 4 A 6 LEU C 236 ARG C 239 1 O SER C 238 N PHE C 164

SHEET 5 A 6 VAL C 256 ILE C 259 1 O ILE C 259 N ARG C 239

SHEET 6 A 6 TYR C 248 CYS C 251 -1 N ASN C 249 O THR C 258

SHEET 1 B 5 ILE C 111 ILE C 113 0

SHEET 2 B 5 TYR C 80 PHE C 82 1 N PHE C 82 O THR C 112

SHEET 3 B 5 VAL C 52 CYS C 55 1 N CYS C 55 O LEU C 81

SHEET 4 B 5 ALA C 273 LEU C 278 -1 O MET C 276 N VAL C 54

SHEET 5 B 5 TYR C 284 PHE C 289 -1 O PHE C 289 N ALA C 273

SHEET 1 C 3 ASP C 202 PRO C 203 0

SHEET 2 C 3 TYR C 218 PHE C 220 1 O PHE C 220 N ASP C 202

SHEET 3 C 3 TRP C 209 ILE C 211 -1 N GLY C 210 O THR C 219

SHEET 1 D 8 SER P 52 GLU P 54 0

SHEET 2 D 8 VAL P 69 SER P 72 -1 O VAL P 69 N GLU P 54

SHEET 3 D 8 ARG P 106 LEU P 110 -1 O ALA P 109 N TYR P 70

SHEET 4 D 8 VAL P 78 LEU P 82 1 N LEU P 79 O ARG P 106

SHEET 5 D 8 ILE P 150 HIS P 155 1 O HIS P 155 N LEU P 82

SHEET 6 D 8 LEU P 174 ILE P 180 1 O ILE P 180 N GLY P 154

SHEET 7 D 8 LYS P 316 LEU P 320 1 O LEU P 317 N LEU P 177

SHEET 8 D 8 GLN P 340 VAL P 343 1 O GLN P 342 N LEU P 320

SHEET 1 E 2 GLU P 57 GLU P 59 0

SHEET 2 E 2 LYS P 64 THR P 66 -1 O ASP P 65 N VAL P 58

SHEET 1 F 2 VAL P 103 GLN P 104 0

SHEET 2 F 2 GLU P 374 PRO P 375 -1 O GLU P 374 N GLN P 104

SHEET 1 G 3 THR P 204 PHE P 205 0

SHEET 2 G 3 TYR P 285 TRP P 287 -1 O TYR P 285 N PHE P 205

SHEET 3 G 3 VAL P 235 GLN P 237 -1 N LYS P 236 O THR P 286

CISPEP 1 CYS C 50 PRO C 51 0 1 .59

CISPEP 2 SER C 75 PRO C 76 0 6 .39

CRYSTl 129 .292 54. 839 125.146 90. 00 110 .87 90 .00 C 1 2 1 4

ORIGXl 1.000000 Ci .000000 0. 000000 0 .00000

-100-

# 10691216 v )

ORIGX2 0.000000 1.000000 0.000000 0.00000

ORIGX3 0.000000 0.000000 1.000000 0.00000

SCALEl 0.007734 0.000000 0.002949 0.00000

SCALE2 0.000000 0.018235 0.000000 0.00000

SCALE3 0.000000 0.000000 0.008552 0.00000

ATOM 1 N SER A 9 -46.162 1 .291 51.671 1 .00 47 .62 N

ATOM 2 CA SER A 9 -45.958 0 .774 50.284 1 .00 47 .65 C

ATOM 3 C SER A 9 -45.940 1 .901 49.245 1 .00 47 .63 C

ATOM 4 O SER A 9 -45.874 1 .650 48.038 1 .00 47 .62 O

ATOM 5 CB SER A 9 -47.019 -0 .281 49.939 1 .00 47 .64 C

ATOM 6 OG SER A 9 -48.326 0 .166 50.264 1 .00 47 .56 O

ATOM 7 N LEU A 10 -45.981 3 .141 49.731 1 .00 47 .59 N

ATOM 8 CA LEU A 10 -45.972 4 .330 48.877 1 .00 47 .49 C

ATOM 9 C LEU A 10 -44.717 5 .189 49.123 1 .00 47 .36 C

ATOM 10 O LEU A 10 -44.504 6 .206 48.457 1 .00 47 .36 O

ATOM 11 CB LEU A 10 -47.266 5 .138 49.096 1 .00 47 .59 C

ATOM 12 CG LEU A 10 -47.760 6 .203 48.101 1 .00 47 .69 C

ATOM 13 CDl LEU A 10 -47.699 5 .730 46.644 1 .00 47 .65 C

ATOM 14 CD2 LEU A 10 -49.175 6 .666 48.467 1 .00 47 .37 C

ATOM 15 N TYR A 11 -43.885 4 .754 50.070 1 .00 47 .15 N

ATOM 16 CA TYR A 11 -42.650 5 .457 50.434 1 .00 46 .82 C

ATOM 17 C TYR A 11 -41.346 4 .822 49.904 1 .00 46 .58 C

ATOM 18 O TYR A 11 -40.357 5 .540 49.730 1 .00 46 .57 O

ATOM 19 CB TYR A 11 -42.559 5 .624 51.959 1 .00 46 .84 C

ATOM 20 CG TYR A 11 -41.551 4 .711 52.635 1 .00 46 .86 C

ATOM 21 CDl TYR A 11 -40.240 5 .137 52.856 1 .00 46 .91 C

ATOM 22 CD2 TYR A 11 -41.906 3 .427 53.053 1 .00 46 .86 C

ATOM 23 CEl TYR A 11 -39.306 4 .311 53.467 1 .00 46 .85 C

ATOM 24 CE2 TYR A 11 -40.977 2 .591 53.670 1. .00 46. .86 C

ATOM 25 CZ TYR A 11 -39.679 3 .043 53.874 1. .00 46. .86 C

ATOM 26 OH TYR A 11 -38.749 2 .234 54.483 1, .00 46. .81 O

ATOM 27 N PRO A 12 -41.326 3. .483 49.667 1. .00 46. .30 N

ATOM 28 CA PRO A 12 -40.064 2, .836 49.271 1. .00 45. .95 C

ATOM 29 C PRO A 12 -39.572 3. .267 47.891 1. .00 45. .58 C

ATOM 30 O PRO A 12 -38.525 2. .801 47.438 1. 00 45. 64 O

ATOM 31 CB PRO A 12 -40.417 1. .338 49.259 1. 00 45. 96 C

ATOM 32 CG PRO A 12 -41.704 1. .223 50.011 1. 00 46. 11 C

ATOM 33 CD PRO A 12 -42.422 2. 498 49.733 1. 00 46. 27 C

ATOM 34 N ILE A 13 -40.332 4. 146 47.237 1. 00 45. 06 N

ATOM 35 CA ILE A 13 -39.945 4. 734 45.957 1. 00 44. 56 C

ATOM 36 C ILE A 13 -38.875 5. 804 46.189 1. 00 44. 07 C

ATOM 37 O ILE A 13 -37.941 5. 936 45.401 1. 00 44. 14 O

ATOM 38 CB ILE A 13 -41.167 5. 333 45.195 1. 00 44. 63 C

ATOM 39 CGl ILE A 13 -42.257 4. 277 44.979 1. 00 45. 03 C

ATOM 40 CG2 ILE A 13 -40.754 5. 899 43.841 1. 00 44. 67 C

ATOM 41 CDl ILE A 13 -43.386 4. 305 46.000 1. 00 45. 40 C

ATOM 42 N ALA A 14 -39.016 6. 550 47.282 1. 00 43. 47 N

ATOM 43 CA ALA A 14 -38.036 7. 553 47.690 1. 00 42. 87 C

ATOM 44 C ALA A 14 -36.691 6. 905 47.991 1. 00 42. 45 C

ATOM 45 O ALA A 14 -35.638 7. 461 47.678 1. 00 42. 23 O

ATOM 46 CB ALA A 14 -38.542 8. 311 48.909 1. 00 42. 89 C

ATOM 47 N VAL A 15 -36.749 5. 726 48.606 1. 00 42. 13 N

ATOM 48 CA VAL A 15 -35.566 4. 947 48.942 1. 00 41. 94 C

ATOM 49 C VAL A 15 -34.948 4. 406 47.661 1. 00 41. 87 C

ATOM 50 O VAL A 15 -33.757 4. 598 47.412 1. 00 41. 99 O

ATOM 51 CB VAL A 15 -35.904 3. 795 49.928 1. 00 41. 96 C

ATOM 52 CGl VAL A 15 -34.704 2. 869 50.134 1. 00 41. 76 C

-101-

# 10691216 v 1

ATOM 53 CG2 VAL A 15 -36.381 4.361 51.263 1.00 41.93 C

ATOM 54 N LEU A 16 -35 .772 3 .751 46 .846 1 .00 41 .67 N

ATOM 55 CA LEU A 16 -35 .347 3 .240 45 .546 1 .00 41 .51 C

ATOM 56 C LEU A 16 -34 .710 4 .328 44 .680 1 .00 41 .39 C

ATOM 57 O LEU A 16 -33 .677 4 .095 44 .055 1 .00 41 .17 O

ATOM 58 CB LEU A 16 -36 .531 2 .600 44 .811 1 .00 41 .56 C

ATOM 59 CG LEU A 16 -36 .296 1 .983 43 .430 1 .00 41 .34 C

ATOM 60 CDl LEU A 16 -35 .449 0 .716 43 .507 1 .00 41 .09 C

ATOM 61 CD2 LEU A 16 -37 .629 1 .703 42 .768 1 .00 41 .42 C

ATOM 62 N ILE A 17 -35 .328 5 .507 44 .657 1 .00 41 .45 N

ATOM 63 CA ILE A 17 -34 .820 6 .635 43 .873 1 .00 41 .72 C

ATOM 64 C ILE A 17 -33 .444 7 .084 44 .361 1 .00 41 .80 C

ATOM 65 O ILE A 17 -32 .501 7 .158 43 .573 1 .00 41 .96 O

ATOM 66 CB ILE A 17 -35 .841 7 .812 43 .790 1 .00 41 .67 C

ATOM 67 CGl ILE A 17 -36 .803 7 .574 42 .622 1 .00 41 .62 C

ATOM 68 CG2 ILE A 17 -35 .135 9 .167 43 .628 1 .00 41 .79 C

ATOM 69 CDl ILE A 17 -37 .916 8 .599 42 .491 1 .00 41 .76 C

ATOM 70 N ASP A 18 -33 .330 7 .352 45 .658 1 .00 41 .89 N

ATOM 71 CA ASP A 18 -32 .080 7 .819 46 .247 1 .00 41 .98 C

ATOM 72 C ASP A 18 -30 .880 7 .019 45 .733 1 .00 42 .20 C

ATOM 73 O ASP A 18 -29 .863 7 .586 45 .323 1 .00 42 .19 O

ATOM 74 CB ASP A 18 -32 .162 7 .724 47 .768 1 .00 41 .76 C

ATOM 75 CG ASP A 18 -31 .061 8 .486 48 .450 1 .00 41 .56 C

ATOM 76 ODl ASP A 18 -31 .016 9 .723 48 .297 1 .00 41 .43 O

ATOM 77 OD2 ASP A 18 -30 .242 7 .849 49 .139 1 .00 41 .59 O

ATOM 78 N GLU A 19 -31 .036 5 .698 45 .737 1 .00 42 .46 N

ATOM 79 CA GLU A 19 -29 .989 4 .759 45 .349 1 .00 42 .78 C

ATOM 80 C GLU A 19 -29 .751 4 .724 43 .838 1 .00 42 .75 C

ATOM 81 O GLU A 19 -28 .648 4 .408 43 .387 1 .00 42. .72 O

ATOM 82 CB GLU A 19 -30 .338 3 .357 45 .859 1 .00 42. .77 C

ATOM 83 CG GLU A 19 -30 .641 3 .293 47 , .361 1 .00 43. .07 C

ATOM 84 CD GLU A 19 -31. .318 1 .992 47. .788 1. .00 43. .27 C

ATOM 85 OEl GLU A 19 -31, .605 1 .138 46. .914 1. .00 43. .49 O

ATOM 86 OE2 GLU A 19 -31. .567 1 .829 49. .008 1. .00 43. 74 O

ATOM 87 N LEU A 20 -30. .785 5. .045 43. 066 1. .00 42. 85 N

ATOM 88 CA LEU A 20 -30. , 680 5. .065 41. 609 1. 00 43. 10 C

ATOM 89 C LEU A 20 -29. .889 6. .264 41. 094 1. 00 43. 32 C

ATOM 90 O LEU A 20 -29. 451 6. .274 39. 939 1. 00 43. 42 O

ATOM 91 CB LEU A 20 -32. 065 5. .026 40. 953 1. 00 43. 04 C

ATOM 92 CG LEU A 20 -32. 864 3. 717 41. 001 1. 00 43. 12 C

ATOM 93 CDl LEU A 20 -34. 139 3. 858 40. 180 1. 00 42. 96 C

ATOM 94 CD2 LEU A 20 -32. 047 2. 511 40. 532 1. 00 42. 48 C

ATOM 95 N ARG A 21 -29. 716 7. 271 41. 949 1. 00 43. 47 N

ATOM 96 CA ARG A 21 -28. 931 8. 458 41. 603 1. 00 43. 68 C

ATOM 97 C ARG A 21 -27. 649 8. 616 42. 437 1. 00 43. 88 C

ATOM 98 O ARG A 21 -26. 953 9. 630 42. 325 1. 00 43. 86 O

ATOM 99 CB ARG A 21 -29. 788 9. 733 41. 651 1. 00 43. 67 C

ATOM 100 CG ARG A 21 -31. 247 9. 547 42. 075 1. 00 43. 58 C

ATOM 101 CD ARG A 21 -31. 798 10. 768 42. 814 1. 00 43. 56 C

ATOM 102 NE ARG A 21 -31. 203 12. 020 42. 344 1. 00 43. 36 N

ATOM 103 CZ ARG A 21 -31. 419 13. 216 42. 885 1. 00 43. 07 C

ATOM 104 NHl ARG A 21 -32. 234 13. 351 43. 923 1. 00 43. 06 N

ATOM 105 NH2 ARG A 21 -30. 815 14. 284 42. 381 1. 00 43. 02 N

ATOM 106 N ASN A 22 -27. 336 7. 600 43. 243 1. 00 44. 12 N

ATOM 107 CA ASN A 22 -26. 149 7. 590 44. 105 1. 00 44. 37 C

ATOM 108 C ASN A 22 -24. 823 7. 653 43. 332 1. 00 44. 74 C

ATOM 109 O ASN A 22 -24. 787 7. 409 42. 123 1. 00 44. 84 O

-102-

(/ 10691216 vl

ATOM 110 CB ASN A 22 -26.175 6.358 45.021 1.00 44.28 C

ATOM 111 CG ASN A 22 -25 .171 6 .447 46 .170 1 .00 44 .07 C

ATOM 112 ODl ASN A 22 -24 .491 5 .472 46 .489 1 .00 43 .27 O

ATOM 113 ND2 ASN A 22 -25 .075 7 .621 46 .790 1 .00 44 .09 N

ATOM 114 N GLU A 23 -23 .742 7 .982 44 .042 1 .00 45 .08 N

ATOM 115 CA GLU A 23 -22 .399 8 .087 43 .455 1 .00 45 .35 C

ATOM 116 C GLU A 23 -21 .855 6 .713 43 .060 1 .00 45 .38 C

ATOM 117 O GLU A 23 -21 .403 6 .518 41 .929 1 .00 45 .32 O

ATOM 118 CB GLU A 23 -21 .416 8 .776 44 .423 1 .00 45 .43 C

ATOM 119 CG GLU A 23 -22 .038 9 .731 45 .463 1 .00 45 .80 C

ATOM 120 CD GLU A 23 -22 .931 10 .803 44 .849 1 .00 46 .34 C

ATOM 121 OEl GLU A 23 -22 .452 11 .572 43 .988 1 .00 46 .26 O

ATOM 122 OE2 GLU A 23 -24 .119 10 .873 45 .236 1 .00 46 .62 O

ATOM 123 N ASP A 24 -21 .914 5 .769 43 .999 1 .00 45 .55 N

ATOM 124 CA ASP A 24 -21 .401 4 .414 43 .794 1 .00 45 .78 C

ATOM 125 C ASP A 24 -22 .184 3 .639 42 .737 1 .00 45 .78 C

ATOM 126 O ASP A 24 -23 .407 3 .472 42 .843 1 .00 45 .75 O

ATOM 127 CB ASP A 24 -21 .378 3 .633 45 .114 1 .00 45 .86 C

ATOM 128 CG ASP A 24 -20 .297 4 .121 46 .067 1 .00 46 .31 C

ATOM 129 ODl ASP A 24 -19 .099 4 .039 45 .714 1 .00 46 .60 O

ATOM 130 OD2 ASP A 24 -20 .646 4 .575 47 .178 1 .00 46 .73 O

ATOM 131 N VAL A 25 -21 .452 3 .173 41 .727 1 .00 45 .72 N

ATOM 132 CA VAL A 25 -21 .999 2 .390 40 .620 1 .00 45 .73 C

ATOM 133 C VAL A 25 -22 .726 1 .135 41 .127 1 .00 45 .87 C

ATOM 134 O VAL A 25 -23 .742 0 .723 40 .555 1 .00 45 .82 O

ATOM 135 CB VAL A 25 -20 .877 1 .963 39 .618 1 .00 45 .74 C

ATOM 136 CGl VAL A 25 -21 .466 1 .606 38 .258 1 .00 45 .49 C

ATOM 137 CG2 VAL A 25 -19 .827 3 .061 39 .460 1. .00 45 .64 C

ATOM 138 N GLN A 26 -22 .207 0 .550 42 .209 1 .00 45 .92 N

ATOM 139 CA GLN A 26 -22 .716 -0 .717 42 .747 1. .00 45 .88 C

ATOM 140 C GLN A 26 -24 .166 -0. .655 43. .235 1. .00 45 .79 C

ATOM 141 O GLN A 26 -24. .956 -1. .563 42. .963 1. .00 45. .83 O

ATOM 142 CB GLN A 26 -21. .792 -1. .261 43. , 846 1. .00 45. .87 C

ATOM 143 CG GLN A 26 -20. .402 -1. .669 43. .355 1. 00 46. .28 C

ATOM 144 CD GLN A 26 -20. .439 -2. .522 42. .087 1. 00 47. .09 C

ATOM 145 OEl GLN A 26 -21. , 183 -3. 504 42. 001 1. 00 47. .28 O

ATOM 146 NE2 GLN A 26 -19. .632 -2. 147 41. 097 1. 00 46. , 85 N

ATOM 147 N LEU A 27 -24. .512 0. 412 43. 947 1. 00 45. .54 N

ATOM 148 CA LEU A 27 -25. 882 0. 595 44. 401 1. 00 45. 43 C

ATOM 149 C LEU A 27 -26. 832 0. 767 43. 226 1. 00 45. 31 C

ATOM 150 O LEU A 27 -27. 861 0. 095 43. 156 1. 00 45. 15 O

ATOM 151 CB LEU A 27 -25. 980 1. 784 45. 354 1. 00 45. 59 C

ATOM 152 CG LEU A 27 -25. 955 1. 419 46. 837 1. 00 45. 49 C

ATOM 153 CDl LEU A 27 -25. 091 2. 396 47. 616 1. 00 45. 68 C

ATOM 154 CD2 LEU A 27 -27. 374 1. 354 47. 392 1. 00 45. 31 C

ATOM 155 N ARG A 28 -26. 462 1. 660 42. 307 1. 00 45. 31 N

ATOM 156 CA ARG A 28 -27. 217 1. 915 41. 077 1. 00 45. 28 C

ATOM 157 C ARG A 28 -27. 597 0. 639 40. 317 1. 00 45. 30 C

ATOM 158 O ARG A 28 -28. 774 0. 404 40. 039 1. 00 45. 29 O

ATOM 159 CB ARG A 28 -26. 420 2. 827 40. 146 1. 00 45. 20 C

ATOM 160 CG ARG A 28 -26. 428 4. 296 40. 500 1. 00 45. 27 C

ATOM 161 CD ARG A 28 -25. 446 5. 015 39. 601 1. 00 46. 27 C

ATOM 162 NE ARG A 28 -25. 573 6. 468 39. 649 1. 00 46. 87 N

ATOM 163 CZ ARG A 28 -24. 823 7. 309 38. 938 1. 00 46. 99 C

ATOM 164 NHl ARG A 28 -23. 884 6. 842 38. 117 1. 00 46. 36 N

ATOM 165 NH2 ARG A 28 -25. 010 8. 621 39. 049 1. 00 46. 47 N

ATOM 166 N LEU A 29 -26. 596 -0. 177 39. 994 1. 00 45. 30 N

-103-

/« 10691216 v l

ATOM 167 CA LEU' A 29 -26.786 -1.352 39.140 1.00 45.39 C

ATOM 168 C LEU ^' A 29 -27 .727 -2 .400 39 .725 1 .00 45 .52 C

ATOM 169 O LEU A 29 -28 .615 -2 .905 39 .031 1 .00 45 .48 O

ATOM 170 CB LEU A 29 -25 .433 -1 .992 38 .799 1 .00 45 .38 C

ATOM 171 CG LEU A 29 -24 .703 _ ^ .487 37 .552 1 .00 45 .04 C

ATOM 172 CDl LEU A 29 -23 .213 -1 .664 37 .717 1 .00 44 .70 C

ATOM 173 CD2 LEU A 29 -25 .196 -2 .200 36 .303 1 .00 44 .78 C

ATOM 174 N ASN A 30 -27 .523 -2 .727 40 .997 1 .00 45 .69 N

ATOM 175 CA ASN A 30 -28 .294 -3 .776 41 .658 1 .00 45 .81 C

ATOM 176 C ASN A 30 -29 .726 -3 .356 41 .965 1 .00 45 .67 C

ATOM 177 O ASN A 30 -30 .659 -4 .139 41 .779 1 .00 45 .75 O

ATOM 178 CB ASN A 30 -27 .567 -4 .259 42 .914 1 .00 45 .88 C

ATOM 179 CG ASN A 30 -26 .183 -4 .808 42 .603 1 .00 46 .46 C

ATOM 180 ODl ASN A 30 -26 .018 -5 .642 41 .705 1 .00 46 .95 O

ATOM 181 ND2 ASN A 30 -25 .178 -4 .333 43 .333 1 .00 46 .65 N

ATOM 182 N SER A 31 -29 .900 -2 .113 42 .409 1 .00 45 .40 N

ATOM 183 CA SER A 31 -31 .234 -1 .564 42 .627 1 .00 45 .26 C

ATOM 184 C SER A 31 -32 .047 -1 .454 41 .330 1 .00 45 .18 C

ATOM 185 O SER A 31 -33 .277 -1 .449 41 .376 1 .00 45 .22 O

ATOM 186 CB SER A 31 -31 .157 -0 .213 43 .335 1 .00 45 .21 C

ATOM 187 OG SER A 31 -30 .207 0 .627 42 .713 1 .00 45 .04 O

ATOM 188 N ILE A 32 -31 .359 -1 .367 40 .187 1 .00 45 .04 N

ATOM 189 CA ILE A 32 -32 .010 -1 .402 38 .868 1 .00 44 .86 C

ATOM 190 C ILE A 32 -32 .662 -2 .768 38 .622 1 .00 44 .99 C

ATOM 191 O ILE A 32 -33 .803 -2 .844 38 .160 1 .00 45 .02 O

ATOM 192 CB ILE A 32 -31 .031 -1 .035 37 .710 1 .00 44 .84 C

ATOM 193 CGl ILE A 32 -30 .885 0 .486 37 .589 1 .00 44 .67 C

ATOM 194 CG2 ILE A 32 -31 .510 _ ^ .620 36 .372 1 .00 44 .70 C

ATOM 195 CDl ILE A 32 -29 .649 0 .951 36 .826 1 .00 44 .64 C

ATOM 196 N LYS A 33 -31 .935 -3 .836 38 .946 1. .00 45, .08 N

ATOM 197 CA LYS A 33 -32 .456 -5. .200 38. .863 1. .00 45. .02 C

ATOM 198 C LYS A 33 -33. .314 -5. .488 40. .098 1. .00 45. .03 C

ATOM 199 O LYS A 33 -33. .096 -6, .461 40. .823 1. .00 45. .05 O

ATOM 200 CB LYS A 33 -31. .306 -6. .200 38. .719 1. .00 45. .04 C

ATOM 201 CG LYS A 33 -30. .487 -6. .022 37. .440 1. 00 45. 11 C

ATOM 202 CD LYS A 33 -29. .217 -6. .863 37. .464 1. 00 45. 12 C

ATOM 203 CE LYS A 33 -28. .338 -6. 582 36. 250 1. 00 44. 89 C

ATOM 204 NZ LYS A 33 -27. 067 -7. 359 36. 303 1. 00 44. 53 N

ATOM 205 N LYS A 34 -34. 298 -4. 615 40. 306 1. 00 45. 10 N

ATOM 206 CA LYS A 34 -35. 165 -4. 591 41. 480 1. 00 45. 12 C

ATOM 207 C LYS A 34 -36. 431 -3. 812 41. 092 1. 00 45. 19 C

ATOM 208 O LYS A 34 -37. 455 -3. 865 41. 784 1. 00 45. 22 O

ATOM 209 CB LYS A 34 -34. 429 -3. 905 42. 638 1. 00 45. 11 C

ATOM 210 CG LYS A 34 -35. 131 -3. 891 43. 993 1. 00 45. 20 C

ATOM 211 CD LYS A 34 -34. 175 _ 3 397 45. 086 1. 00 45. 18 C

ATOM 212 CE LYS A 34 -34. 895 -3. 150 46. 406 1. 00 45. 28 C

ATOM 213 NZ LYS A 34 -33. 951 -2. 862 47. 523 1. 00 44. 82 N

ATOM 214 N LEU A 35 -36. 340 _ 3 104 39. 964 1. 00 45. 08 N

ATOM 215 CA LEU A 35 -37. 422 -2. 274 39. 435 1. 00 45. 06 C

ATOM 216 C LEU A 35 -38. 635 -3. 065 38. 943 1. 00 45. 10 C

ATOM 217 O LEU A 35 -39. 768 -2. 584 39. 029 1. 00 45. 16 O

ATOM 218 CB LEU A 35 -36. 898 -1. 385 38. 301 1. 00 45. 08 C

ATOM 219 CG LEU A 35 -36. 491 0. 065 38. 595 1. 00 45. 06 C

ATOM 220 CDl LEU A 35 -35. 435 0. 166 39. 685 1. 00 45. 05 C

ATOM 221 CD2 LEU A 35 -36. 005 0. 741 37. 321 1. 00 45. 02 C

ATOM 222 N SER A 36 -38. 395 -4. 267 38. 421 1. 00 44. 98 N

ATOM 223 CA SER A 36 -39. 471 -5. 119 37. 912 1. 00 44. 89 C

-104- rf lO69l2l6 \ l

ATOM 224 C SER A 36 -40.520 -5.424 38.984 1.00 44.89 C

ATOM 225 O SER A 36 -41 .720 -5 .282 38 .744 1 .00 44 .88 O

ATOM 226 CB SER A 36 -38 .903 -6 .417 37 .335 1 .00 44 .87 C

ATOM 227 OG SER A 36 -38 .402 -7 .255 38 .361 1 .00 44 .84 O

ATOM 228 N THR A 37 -40 .056 -5 .831 40 .164 1 .00 44 .85 N

ATOM 229 CA THR A 37 -40 .933 -6 .162 41 .287 1 .00 44 .89 C

ATOM 230 C THR A 37 -41 .637 -4 .919 41 .828 1 .00 44 .87 C

ATOM 231 O THR A 37 -42 .774 -4 .993 42 .303 1 .00 44 .79 O

ATOM 232 CB THR A 37 -40 .145 -6 .833 42 .430 1 .00 44 .96 C

ATOM 233 OGl THR A 37 -39 .204 -7 .765 41 .882 1 .00 45 .07 O

ATOM 234 CG2 THR A 37 -41 .086 -7 .558 43 .399 1 .00 44 .93 C

ATOM 235 N ILE A 38 -40 .950 -3 .783 41 .748 1 .00 44 .87 N

ATOM 236 CA ILE A 38 -41 .492 -2 .506 42 .204 1 .00 44 .94 C

ATOM 237 C ILE A 38 -42 .472 -1 .915 41 .183 1 .00 44 .87 C

ATOM 238 O ILE A 38 -43 .362 -1 .139 41 .539 1 .00 44 .86 O

ATOM 239 CB ILE A 38 -40 .351 -1 .532 42 .589 1 .00 45 .01 C

ATOM 240 CGl ILE A 38 -39 .731 -1 .987 43 .914 1 .00 45 .29 C

ATOM 241 CG2 ILE A 38 -40 .855 -0 .095 42 .708 1 .00 44 .98 C

ATOM 242 CDl ILE A 38 -38 .264 -1 .654 44 .080 1 .00 45 .94 C

ATOM 243 N ALA A 39 -42 .314 -2 .302 39 .919 1 .00 44 .86 N

ATOM 244 CA ALA A 39 -43 .283 -1 .959 38 .880 1 .00 44 .81 C

ATOM 245 C ALA A 39 -44 .604 -2 .697 39 .116 1 .00 44 .80 C

ATOM 246 O ALA A 39 -45 .678 -2 .095 39 .044 1 .00 44 .84 O

ATOM 247 CB ALA A 39 -42 .723 -2 .276 37 .499 1 .00 44 .78 C

ATOM 248 N LEU A 40 -44 .513 -3 .992 39 .419 1 .00 44 .74 N

ATOM 249 CA LEU A 40 -45 .686 -4 .818 39 .717 1 .00 44 .66 C

ATOM 250 C LEU A 40 -46. .303 -4 .514 41 .082 1 .00 44 .68 C

ATOM 251 O LEU A 40 -47. .380 -5 .020 41 .399 1 .00 44 .66 O

ATOM 252 CB LEU A 40 -45. .344 -6 .312 39 .621 1. .00 44 .63 C

ATOM 253 CG LEU A 40 -45. .308 -6 .979 38 .241 1, .00 44 .53 C

ATOM 254 CDl LEU A 40 -44. .633 -8 .339 38 .323 1. .00 44 .45 C

ATOM 255 CD2 LEU A 40 -46. .705 -7. . Ill 37. .644 1. .00 44 .44 C

ATOM 256 N ALA A 41 -45. 617 -3. .699 41. .885 1. , 00 44. .75 N

ATOM 257 CA ALA A 41 -46. 132 -3, .273 43. .188 1. .00 44. .81 C

ATOM 258 C ALA A 41 -47. 414 -2. .464 43. .010 1. 00 44. .91 C

ATOM 259 O ALA A 41 -48. 467 - 2 .839 43. .536 1. 00 44. .94 O

ATOM 260 CB ALA A 41 -45. 082 -2. .475 43. .954 1. 00 44. .76 C

ATOM 261 N LEU A 42 -47. 315 _ ^ 364 42. 261 1. 00 45. 00 N

ATOM 262 CA LEU A 42 -48. 475 -0. 562 41. 850 1. 00 45. 08 C

ATOM 263 C LEU A 42 -48. 042 0. 440 40. 111 1. 00 45. 12 C

ATOM 264 O LEU A 42 -47. 798 1. 612 41. 073 1. 00 45. 11 O

ATOM 265 CB LEU A 42 -49. 122 0. 153 43. 054 1. 00 45. 11 C

ATOM 266 CG LEU A 42 -50. 622 0. 484 43. 003 1. 00 45. 01 C

ATOM 267 CDl LEU A 42 -51. 488 -0. 763 43. 191 1. 00 44. 75 C

ATOM 268 CD2 LEU A 42 -50. 972 1. 532 44. 050 1. 00 44. 97 C

ATOM 269 N GLY A 43 -47. 947 -0. 032 39. 533 1. 00 45. 18 N

ATOM 270 CA GLY A 43 -47. 391 0. 766 38. 438 1. 00 45. 23 C

ATOM 271 C GLY A 43 -48. 265 0. 942 37. 211 1. 00 45. 29 C

ATOM 272 O GLY A 43 -48. 010 0. 341 36. 167 1. 00 45. 25 O

ATOM 273 N VAL A 44 -49. 297 1. 772 37. 344 1. 00 45. 40 N

ATOM 274 CA VAL A 44 -50. 144 2. 166 36. 215 1. 00 45. 40 C

ATOM 275 C VAL A 44 -49. 887 3. 647 35. 914 1. 00 45. 45 C

ATOM 276 O VAL A 44 -49. 630 4. 017 34. 768 1. 00 45. 50 O

ATOM 277 CB VAL A 44 -51. 662 1. 899 36. 481 1. 00 45. 38 C

ATOM 278 CGl VAL A 44 -52. 500 2. 213 35. 244 1. 00 45. 23 C

ATOM 279 CG2 VAL A 44 -51. 897 0. 455 36. 919 1. 00 45. 24 C

ATOM 280 N GLU A 45 -49. 953 4. 478 36. 954 1. 00 45. 47 N

-105-

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ATOM 281 CA GLLt A 45 -49.625 5.904 36.864 1.00 45.49 C

ATOM 282 C GLt F A 45 -48 .313 6.235 37 .574 1.00 45 .55 C

ATOM 283 O GLt F A 45 -47 .720 7.289 37 .334 1.00 45 .58 O

ATOM 284 CB GLU F A 45 -50 .749 6.760 37 .457 1.00 45 .44 C

ATOM 285 CG GLU F A 45 -51 .594 7.502 36 .430 1.00 45 .45 C

ATOM 286 CD GLU ^' A 45 -52 .507 8.562 37 .050 1.00 45 .44 C

ATOM 287 OEl GLU ^■ A 45 -53 .035 8.339 38 .162 1.00 45 .26 O

ATOM 288 OE2 GLU A 45 -52 .704 9.623 36 .418 1.00 45 .12 O

ATOM 289 N ARG A 46 -47 .876 5.341 38 .458 1.00 45 .58 N

ATOM 290 CA ARG A 46 -46 .671 5.557 39 .260 1.00 45 .58 C

ATOM 291 C ARG A 46 -45 .408 5.554 38 .405 1.00 45 .42 C

ATOM 292 O ARG A 46 -44 .587 6.469 38 .486 1.00 45 .36 O

ATOM 293 CB ARG A 46 -46 .577 4.510 40 .374 1.00 45 .68 C

ATOM 294 CG ARG A 46 -47 .400 4.850 41 .608 1.00 46 .06 C

ATOM 295 CD ARG A 46 -46 .658 5.853 42 .473 1.00 46 .85 C

ATOM 296 NE ARG A 46 -47 .563 6.736 43 .202 1.00 47 .18 N

ATOM 297 CZ ARG A 46 -47 .205 7.905 43 .723 1.00 47 .25 C

ATOM 298 NHl ARG A 46 -45 .956 8.342 43 .594 1.00 47 .19 N

ATOM 299 NH2 ARG A 46 -48 .098 8.643 44 .370 1.00 47 .22 N

ATOM 300 N LEU A 400 -45 .273 4.528 37 .572 1.00 45 .28 N

ATOM 301 CA LEU A 400 -44 .158 4.432 36 .639 1.00 45 .12 C

ATOM 302 C LEU A 400 -44 .125 5.613 35 .670 1.00 45 .01 C

ATOM 303 O LEU A 400 -43 .056 6.006 35 .219 1.00 45 .02 O

ATOM 304 CB LEU A 400 -44 .223 3.108 35 .873 1.00 45 .12 C

ATOM 305 CG LEU A 400 -43 .624 1.829 36 .480 1.00 45 .12 C

ATOM 306 CDl LEU A 400 -43 .935 1.637 37 .966 1.00 44 .96 C

ATOM 307 CD2 LEU A 400 -44 .088 0.617 35 .677 1.00 45 .18 C

ATOM 308 N SER A 401 -45 .296 6.181 35 .381 1.00 44 .90 N

ATOM 309 CA SER A 401 -45. .448 7.292 34 .435 1.00 44. .83 C

ATOM 310 C SER A 401 -44. .541 8.491 34 .737 1.00 44. .80 C

ATOM 311 O SER A 401 -43. .793 8.935 33. .862 1.00 44. .70 O

ATOM 312 CB SER A 401 -46. .922 7.733 34. .357 1.00 44. .91 C

ATOM 313 OG SER A 401 -47. .158 8.658 33. .304 1.00 44. .80 O

ATOM 314 N GLN A 402 -44. 601 9.007 35. .966 1.00 44. 76 N

ATOM 315 CA GLN A 402 -43. 862 10.229 36. .321 1.00 44. 77 C

ATOM 316 C GLN A 402 -43. 057 10.082 37. 614 1.00 44. 68 C

ATOM 317 O GLN A 402 -42. 051 10.772 37. 809 1.00 44. 70 O

ATOM 318 CB GLN A 402 -44. 818 11.432 36. 440 1.00 44. 99 C

ATOM 319 CG GLN A 402 -44. 378 12.711 35. 689 1.00 44. 98 C

ATOM 320 CD GLN A 402 -43. 066 13.319 36. 190 1.00 44. 88 C

ATOM 321 OEl GLN A 402 -42. 787 13.342 37. 389 1.00 44. 68 O

ATOM 322 NE2 GLN A 402 -42. 263 13.831 35. 263 1.00 44. 73 N

ATOM 323 N SER A 403 -43. 498 9.189 38. 498 1.00 44. 45 N

ATOM 324 CA SER A 403 -42. 827 9.008 39. 788 1.00 44. 18 C

ATOM 325 C SER A 403 -41. 538 8.187 39. 702 1.00 43. 96 C

ATOM 326 O SER A 403 -40. 779 8.145 40. 670 1.00 44. 13 O

ATOM 327 CB SER A 403 -43. 779 8.400 40. 829 1.00 44. 23 C

ATOM 328 OG SER A 403 -44. 755 9.337 41. 256 1.00 44. 03 O

ATOM 329 N LEU A 404 -41. 282 7.559 38. 551 1.00 43. 61 N

ATOM 330 CA LEU A 404 -40. 164 6.614 38. 422 1.00 43. 17 C

ATOM 331 C LEU A 404 -39. 509 6.558 37. 035 1.00 42. 91 C

ATOM 332 O LEU A 404 -38. 306 6.328 36. 931 1.00 42. 79 O

ATOM 333 CB LEU A 404 -40. 623 5.215 38. 840 1.00 43. 22 C

ATOM 334 CG LEU A 404 -39. 620 4.319 39. 561 1.00 43. 05 C

ATOM 335 CDl LEU A 404 -40. 313 3.509 40. 640 1.00 43. 34 C

ATOM 336 CD2 LEU A 404 -38. 922 3.409 38. 579 1.00 43. 72 C

ATOM 337 N LEU A 405 -40. 293 6.757 35. 976 1.00 42. 61 N

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ATOM 338 CA LEU' α. 405 -39.747 6.729 34.610 1.00' 42.28 C

ATOM 339 C LEU ' A . 405 -38 .676 7 .798 34 .353 1 .00 41 .98 C

ATOM 340 O LEU ¹ A . 405 -37 .659 7 .492 33 .735 1 .00 41 .98 O

ATOM 341 CB LEU A . 405 -40 .853 6 .785 33 .543 1 .00 42 .16 C

ATOM 342 CG LEU A 405 -40 .474 6 .614 32 .065 1 .00 42 .34 C

ATOM 343 CDl . LEU A 405 -39 .823 5 .263 31 .784 1 .00 42 .39 C

ATOM 344 CD2 : LEU A 405 -41 .689 6 .804 31 .179 1 .00 42 .20 C

ATOM 345 N PRO A 406 -38 .896 9 .049 34 .819 1 .00 41 .73 N

ATOM 346 CA PRO A 406 -37 .857 10 .068 34 .661 1 .00 41 .72 C

ATOM 347 C PRO A 406 -36 .473 9 .606 35 .127 1 .00 41 .74 C

ATOM 348 O PRO A 406 -35 .478 9 .850 34 .442 1 .00 41 .63 O

ATOM 349 CB PRO A 406 -38 .366 11 .213 35 .537 1 .00 41 .66 C

ATOM 350 CG PRO A 406 -39 .827 11 .085 35 .467 1 .00 41 .56 C

ATOM 351 CD PRO A 406 -40 .089 9 .609 35 .482 1 .00 41 .60 C

ATOM 352 N ALA A 407 -36 .420 8 .932 36 .272 1 .00 41 .81 N

ATOM 353 CA ALA A 407 -35 .170 8 .392 36 .790 1 .00 41 .89 C

ATOM 354 C ALA A 407 -34 .587 7 .316 35 .855 1 .00 42 .13 C

ATOM 355 O ALA A 407 -33 .365 7 .219 35 .692 1 .00 41 .95 O

ATOM 356 CB ALA A 407 -35 .373 7 .853 38 .200 1 .00 41 .73 C

ATOM 357 N ILE A 408 -35 .469 6 .528 35 .235 1 .00 42 .40 N

ATOM 358 CA ILE A 408 -35 .067 5 .507 34 .262 1 .00 42 .53 C

ATOM 359 C ILE A 408 -34 .496 6 .172 33 .007 1 .00 42 .89 C

ATOM 360 O ILE A 408 -33 .458 5 .749 32 .490 1 .00 42 .89 O

ATOM 361 CB ILE A 408 -36 .251 4 .568 33 .892 1 .00 42 .41 C

ATOM 362 CGl ILE A 408 -36 .773 3 .841 35 .135 1 .00 42 .18 C

ATOM 363 CG2 ILE A 408 -35 .841 3 .553 32 .819 1 .00 42 .13 C

ATOM 364 CDl ILE A 408 -38 .162 3. .259 34 .966 1 .00 41 .95 C

ATOM 365 N VAL A 409 -35. .171 7. .225 32 .544 1. .00 43 .37 N

ATOM 366 CA VAL A 409 -34. .773 7. .976 31 .345 1. .00 43 .73 C

ATOM 367 C VAL A 409 -33. .349 8. .532 31 .426 1. .00 43. .96 C

ATOM 368 O VAL A 409 -32, .588 8. .436 30 .460 1. .00 43. .94 O

ATOM 369 CB VAL A 409 -35. .783 9. .104 31. .028 1. .00 43. .73 C

ATOM 370 CGl VAL A 409 -35. .193 10. .138 30. .059 1. .00 43. .73 C

ATOM 371 CG2 VAL A 409 -37. .069 8. 508 30. .469 1. .00 43. .92 C

ATOM 372 N GLU A 410 -32. 997 9. 113 32. .570 1. 00 44. 30 N

ATOM 373 CA GLU A 410 -31. 653 9. 649 32. 765 1. 00 44. 71 C

ATOM 374 C GLU A 410 -30. 633 8. 518 32. 856 1. 00 44. 76 C

ATOM 375 O GLU A 410 -29. 559 8. 603 32. 264 1. 00 44. 95 O

ATOM 376 CB GLU A 410 -31. 587 10. 551 33. 999 1. 00 44. 63 C

ATOM 377 CG GLU A 410 -30. 321 11. 405 34. 062 1. 00 45. 13 C

ATOM 378 CD GLU A 410 -30. 427 12. 587 35. 023 1. 00 45. 15 C

ATOM 379 OEl GLU A 410 -31. 523 12. 821 35. 585 1. 00 45. 52 O

ATOM 380 OE2 GLU A 410 -29. 404 13. 286 35. 210 1. 00 45. 27 O

ATOM 381 N LEU A 411 -30. 986 7. 455 33. 579 1. 00 44. 92 N

ATOM 382 CA LEU A 411 -30. 122 6. 273 33. 708 1. 00 44. 98 C

ATOM 383 C LEU A 411 -29. 829 5. 613 32. 363 1. 00 45. 02 C

ATOM 384 O LEU A 411 -28. 856 4. 867 32. 227 1. 00 44. 98 O

ATOM 385 CB LEU A 411 -30. 737 5. 244 34. 663 1. 00 44. 93 C

ATOM 386 CG LEU A 411 -30. 696 5. 489 36. 171 1. 00 44. 86 C

ATOM 387 CDl LEU A 411 -31. 653 4. 528 36. 856 1. 00 45. 46 C

ATOM 388 CD2 LEU A 411 -29. 291 5. 348 36. 739 1. 00 44. 45 C

ATOM 389 N ALA A 412 -30. 680 5. 890 31. 376 1. 00 45. 18 N

ATOM 390 CA ALA A 412 -30. 467 5. 420 30. 012 1. 00 45. 24 C

ATOM 391 C ALA A 412 -29. 199 6. 028 29. 406 1. 00 45. 34 C

ATOM 392 O ALA . A 412 -28. 593 5. 430 28. 520 1. 00 45. 28 O

ATOM 393 CB ALA . A 412 -31. 677 5. 726 29. 148 1. 00 45. 00 C

ATOM 394 N GLU . A 413 -28. 802 7. 207 29. 889 1. 00 45. 48 N

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ATOM 395 CA GIiO ^' A 413 -27.595 7.877 29.394 1.00 45.89 C

ATOM 396 C GLU ^■ A 413 -26 .543 8 .153 30 .481 1 .00 45 .94 C

ATOM 397 O GLU ^' A 413 -25 .711 9 .058 30 .342 1 .00 45 .96 O

ATOM 398 CB GLU ^' A 413 -27 .941 9 .142 28 .591 1 .00 45 .78 C

ATOM 399 CG GLU A 413 -28 .738 10 .201 29 .345 1 .00 46 .17 C

ATOM 400 CD GLU A 413 -28 .876 11 .513 28 .574 1 .00 46 .48 C

ATOM 401 OEl GLU A 413 -28 .235 11 .667 27 .509 1 .00 47 .61 O

ATOM 402 OE2 GLU A 413 -29 .630 12 .398 29 .040 1 .00 46 .96 O

ATOM 403 N ASP A 414 -26 .586 7 .359 31 .552 1 .00 46 .08 N

ATOM 404 CA ASP A 414 -25 .537 7 .329 32 .574 1 .00 46 .10 C

ATOM 405 C ASP A 414 -24 .191 7 .087 31 .897 1 .00 45 .81 C

ATOM 406 O ASP A 414 -24 .110 6 .300 30 .960 1 .00 45 .74 O

ATOM 407 CB ASP A 414 -25 .829 6 .209 33 .581 1 .00 46 .31 C

ATOM 408 CG ASP A 414 -24 .917 6 .247 34 .807 1 .00 47 .44 C

ATOM 409 ODl ASP A 414 -25 .427 5 .999 35 .924 1 .00 48 .43 O

ATOM 410 OD2 ASP A 414 -23 .699 6 .516 34 .668 1 .00 48 .58 O

ATOM 411 N ALA A 415 -23 .142 7 .754 32 .374 1 .00 45 .66 N

ATOM 412 CA ALA A 415 -21 .812 7 .672 31 .745 1 .00 45 .49 C

ATOM 413 C ALA A 415 -21 .140 6 .300 31 .877 1 .00 45 .25 C

ATOM 414 O ALA A 415 -20 .257 5 .958 31 .090 1 .00 45 .20 O

ATOM 415 CB ALA A 415 -20 .893 8 .776 32 .277 1 .00 45 .35 C

ATOM 416 N LYS A 416 -21 .565 5 .525 32 .870 1 .00 45 .10 N

ATOM 417 CA LYS A 416 -21 .023 4 .188 33 .113 1 .00 44 .91 C

ATOM 418 C LYS A 416 -21 .794 3 .130 32 .323 1 .00 44 .57 C

ATOM 419 O LYS A 416 -22 .901 2 .748 32 .696 1 .00 44 .41 O

ATOM 420 CB LYS A 416 -21 .031 3 .885 34 .618 1 .00 45, .04 C

ATOM 421 CG LYS A 416 -19 .722 4 .217 35 .361 1 .00 45. .39 C

ATOM 422 CD LYS A 416 -19 .155 5 .614 35 .047 1 .00 45. .58 C

ATOM 423 CE LYS A 416 -17 .959 5 .970 35. .938 1 .00 45. .30 C

ATOM 424 NZ LYS A 416 -16. .779 5 .082 35. .729 1, .00 44. .57 N

ATOM 425 N TRP A 417 -21. .193 2 .658 31. ,233 1, .00 44. .46 N

ATOM 426 CA TRP A 417 -21. .891 1 .821 30. ,242 1. .00 44. 33 C

ATOM 427 C TRP A 417 -22. .628 0. .604 30. ,815 1. .00 44. 29 C

ATOM 428 O TRP A 417 -23. .670 0. ,210 30. 294 1. .00 44. 23 O

ATOM 429 CB TRP A 417 -20. 961 1. .431 29. 072 1. 00 44. 21 C

ATOM 430 CG TRP A 417 -19. 988 0. ,323 29. 356 1. 00 43. 94 C

ATOM 431 CDl TRP A 417 -18. 677 0. 457 29. 717 1. 00 43. 54 C

ATOM 432 CD2 TRP A 417 -20. 246 -1. 088 29. 295 1. 00 44. 06 C

ATOM 433 NEl TRP A 417 -18. 105 -0. 781 29. 892 1. 00 43. 19 N

ATOM 434 CE2 TRP A 417 -19. 045 -1. 747 29. 643 1. 00 43. 56 C

ATOM 435 CE3 TRP A 417 -21. 379 -1. 860 28. 984 1. 00 44. 40 C

ATOM 436 CZ2 TRP A 417 -18. 939 -3. 142 29. 683 1. 00 43. 70 C

ATOM 437 CZ3 TRP A 417 -21. 273 -3. 252 29. 030 1. 00 43. 90 C

ATOM 438 CH2 TRP A 417 -20. 059 -3. 875 29. 375 1. 00 43. 93 C

ATOM 439 N ARG A 418 -22. 082 0. 019 31. 879 1. 00 44. 46 N

ATOM 440 CA ARG A 418 -22. 719 -1. 103 32. 587 1. 00 44. 58 C

ATOM 441 C ARG A 418 -24. 104 -0. 736 33. 121 1. 00 44. 35 C

ATOM 442 O ARG A 418 -24. 991 -1. 583 33. 184 1. 00 44. 28 O

ATOM 443 CB ARG A 418 -21. 841 -1. 569 33. 747 1. 00 44. 77 C

ATOM 444 CG ARG A 418 -20. 464 -2. 056 33. 340 1. 00 45. 42 C

ATOM 445 CD ARG A 418 -20. 323 -3. 553 33. 514 1. 00 46. 25 C

ATOM 446 NE ARG A 418 -19. 210 -4. 032 32. 706 1. 00 48. 14 N

ATOM 447 CZ ARG A 418 -18. 723 _ ς 267 32. 730 1. 00 48. 91 C

ATOM 448 NHl ARG A 418 -19. 240 -6. 181 33. 549 1. 00 48. 49 N

ATOM 449 NH2 ARG A 418 -17. 708 -5. 581 31. 927 1. 00 48. 96 N

ATOM 450 N VAL A 419 -24. 274 0. 527 33. 503 1. 00 44. 20 N

ATOM 451 CA VAL A 419 -25. 561 1. 047 33. 959 1. 00 44. 22 C

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ATOM 452 C VAL, A. 419 -26.531 1.219 32.785 1.00 44.19 C

ATOM 453 O VAL , A . 419 -27 .738 1 .018 32 .941 1.00 44 .14 O

ATOM 454 CB VAL , A . 419 -25 .401 2 .380 34 .729 1.00 44 .18 C

ATOM 455 CGl . VAL , A 419 -26 .744 2 .903 35 .200 1.00 44 .13 C

ATOM 456 CG2 VAL A 419 -24 .472 2 .193 35 .913 1.00 44 .44 C

ATOM 457 N ARG A 420 -26 .008 1 .583 31 .615 1.00 44 .16 N

ATOM 458 CA ARG A 420 -26 .835 1 .629 30 .409 1.00 44 .23 C

ATOM 459 C ARG A 420 -27 .289 0 .218 30 .041 1.00 44 .36 C

ATOM 460 O ARG A 420 -28 .450 0 .014 29 .689 1.00 44 .45 O

ATOM 461 CB ARG A 420 -26 .114 2 .308 29 .239 1.00 44 .13 C

ATOM 462 CG ARG A 420 -25 .758 3 .767 29 .501 1.00 44 .31 C

ATOM 463 CD ARG A 420 -25 .428 4 .546 28 .224 1.00 44 .11 C

ATOM 464 NE ARG A 420 -24 .192 4 .123 27 .566 1.00 44 .23 N

ATOM 465 CZ ARG A 420 -22 .958 4 .457 27 .953 1.00 44 .20 C

ATOM 466 NHl ARG A 420 -22 .753 5 .213 29 .020 1.00 43 .89 N

ATOM 467 NH2 ARG A 420 -21 .914 4 .019 27 .267 1.00 45 .02 N

ATOM 468 N LEU A 421 -26 .381 -0 .751 30 .160 1.00 44 .59 N

ATOM 469 CA LEU A 421 -26 .717 -2 .164 29 .962 1.00 44 .74 C

ATOM 470 C LEU A 421 -27 .885 -2 .602 30 .857 1.00 44 .93 C

ATOM 471 O LEU A 421 -28 .833 -3 .238 30 .383 1.00 45 .01 O

ATOM 472 CB LEU A 421 -25 .492 -3 .068 30 .195 1.00 44 .78 C

ATOM 473 CG LEU A 421 -25 .637 -4 .562 29 .842 1.00 44 .85 C

ATOM 474 CDl LEU A 421 -25 .767 -4 .756 28 .329 1.00 44 .86 C

ATOM 475 CD2 LEU A 421 -24 .487 -5 .411 30 .385 1.00 44 .44 C

ATOM 476 N ALA A 422 -27 .815 -2 .242 32 .141 1.00 44 .95 N

ATOM 477 CA ALA A 422 -28 .848 -2 .587 33 .126 1.00 44 .99 C

ATOM 478 C ALA A 422 -30 .229 -2 .026 32 .in 1.00 45 .07 C

ATOM 479 O ALA A 422 -31 .248 -2. .610 33. .145 1.00 44 .96 O

ATOM 480 CB ALA A 422 -28. .426 -2. .142 34. .517 1.00 44 .91 C

ATOM 481 N ILE A 423 -30. .257 -0. .896 32. .074 1.00 45 .24 N

ATOM 482 CA ILE A 423 -31. .515 -0. .330 31. .590 1.00 45. .42 C

ATOM 483 C ILE A 423 -31. .999 -1. 061 30. .337 1.00 45. .37 C

ATOM 484 O ILE A 423 -33. .160 — 1 .463 30. 261 1.00 45. .52 O

ATOM 485 CB ILE A 423 -31. .409 1. 191 31. 312 1.00 45. , 54 C

ATOM 486 CGl ILE A 423 -30. 830 1. 929 32. 527 1.00 45. 75 C

ATOM 487 CG2 ILE A 423 -32. 775 1. 769 30. 896 1.00 45. 24 C

ATOM 488 CDl ILE A 423 -31. 650 1. 793 33. 815 1.00 46. 98 C

ATOM 489 N ILE A 424 -31. 106 -1. 234 29. 367 1.00 45. 22 N

ATOM 490 CA ILE A 424 -31. 441 -1. 918 28. 120 1.00 45. 08 C

ATOM 491 C ILE A 424 -32. 095 -3. 278 28. 382 1.00 45. 21 C

ATOM 492 O ILE A 424 -33. 123 -3. 604 27. 779 1.00 45. 34 O

ATOM 493 CB ILE A 424 -30. 200 -2. 062 27. 204 1.00 45. 01 C

ATOM 494 CGl ILE A 424 -29. 652 -0. 677 26. 858 1.00 44. 27 C

ATOM 495 CG2 ILE A 424 -30. 536 -2. 867 25. 931 1.00 44. 76 C

ATOM 496 CDl ILE A 424 -28. 277 -0. 679 26. 265 1.00 44. 23 C

ATOM 497 N GLU A 425 -31. 510 -4. 050 29. 298 1.00 45. 16 N

ATOM 498 CA GLU A 425 -32. 001 -5. 393 29. 624 1.00 45. 35 C

ATOM 499 C GLU A 425 -33. 337 -5. 369 30. 375 1.00 45. 05 C

ATOM 500 O GLU A 425 -34. 098 -6. 338 30. 341 1.00 44. 92 O

ATOM 501 CB GLU A 425 -30. 944 -6. 186 30. 406 1.00 45. 32 C

ATOM 502 CG GLU A 425 -29. 700 -6. 541 29. 575 1.00 45. 96 C

ATOM 503 CD GLU A 425 -28. 594 -7. 207 30. 381 1.00 46. 08 C

ATOM 504 OEl GLU A 425 -28. 651 -7. 169 31. 630 1.00 47. 24 O

ATOM 505 OE2 GLU A 425 -27. 663 -7. 767 29. 757 1.00 46. 78 O

ATOM 506 N TYR A 426 -33. 613 -4. 248 31. 034 1.00 44. 79 N

ATOM 507 CA TYR . A • 426 -34. 848 -4. 057 31. 769 1.00 44. 62 C

ATOM 508 C TYR . 426 -35. 966 -3. 538 30. 861 1.00 ' 44. 57 C

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ATOM 509 O TYR A 426 -37.150 -3.665 31..187 1.00 44.46 O

ATOM 510 CB TYR A 426 -34 .604 -3 .105 32 .945 1.00 44 .70 C

ATOM 511 CG TYR A 426 -35 .859 -2 .535 33 .572 1.00 45 .05 C

ATOM 512 CDl TYR A 426 -36 .669 -3 .314 34 .403 1.00 44 .97 C

ATOM 513 CD2 TYR A 426 -36 .239 -1 .215 33 .331 1.00 45 .07 C

ATOM 514 CEl TYR A 426 -37 .823 -2 .790 34 .974 1.00 44 .76 C

ATOM 515 CE2 TYR A 426 -37 .392 -0 .683 33 .902 1.00 44 .91 C

ATOM 516 CZ TYR A 426 -38 .176 -1 .475 34 .718 1.00 44 .68 C

ATOM 517 OH TYR A 426 -39 .317 -0 .947 35 .275 1.00 45 .12 O

ATOM 518 N MET A 427 -35 .589 -2 .972 29 .717 1.00 44 .55 N

ATOM 519 CA MET A 427 -36 .555 -2 .334 28 .818 1.00 44 .56 C

ATOM 520 C MET A 427 -37 .738 -3 .217 28 .393 1.00 44 .53 C

ATOM 521 O MET A 427 -38 .881 -2 .789 28 .530 1.00 44 .54 O

ATOM 522 CB MET A 427 -35 .872 -1 .726 27 .584 1.00 44 .62 C

ATOM 523 CG MET A 427 -36 .789 -0 .809 26 .761 1.00 44 .79 C

ATOM 524 SD MET A 427 -36 .614 0 .978 27 .054 1.00 45 .86 S

ATOM 525 CE MET A 427 -36 .385 1 .104 28 .831 1.00 45 .21 C

ATOM 526 N PRO A 428 -37 .476 -4 .440 27 .874 1.00 44 .54 N

ATOM 527 CA PRO A 428 -38 .610 .231 27 .380 1.00 44 .54 C

ATOM 528 C PRO A 428 -39 .717 -5 .452 28 .421 1.00 44 .66 C

ATOM 529 O PRO A 428 -40 .899 -5 .327 28 .086 1.00 44 .75 O

ATOM 530 CB PRO A 428 -37 .969 -6 .558 26 .946 1.00 44 .53 C

ATOM 531 CG PRO A 428 -36 .606 -6 .563 27 .529 1.00 44 .53 C

ATOM 532 CD PRO A 428 -36 .194 -5 .147 27 .689 1.00 44 .44 C

ATOM 533 N LEU A 429 -39 .339 -5 .745 29 .666 1.00 44 .70 N

ATOM 534 CA LEU A 429 -40 .310 .921 30 .755 1.00 44 .83 C

ATOM 535 C LEU A 429 -41 .058 -4 .620 31 .053 1.00 44 .83 C

ATOM 536 O LEU A 429 -42 .245 -4 .649 31 .381 1.00 45 .06 O

ATOM 537 CB LEU A 429 -39 .635 -6 .444 32 .029 1.00 44 .92 C

ATOM 538 CG LEU A 429 -38 .530 -7 .502 31 .893 1.00 45 .36 C

ATOM 539 CDl LEU A 429 -37 .615 -7 .479 33 .109 1.00 45 .26 C

ATOM 540 CD2 LEU A 429 -39. .100 -8. .906 31. .650 1.00 45 .59 C

ATOM 541 N LEU A 430 -40 .361 -3. .489 30. .932 1.00 44 .79 N

ATOM 542 CA LEU A 430 -40. .973 -2. .167 31. .103 1.00 44. .77 C

ATOM 543 C LEU A 430 -41. .892 -1. .816 29. .940 1.00 44. .96 C

ATOM 544 O LEU A 430 -43. .055 -1. 463 30. 154 1.00 45. .13 O

ATOM 545 CB LEU A 430 -39. .912 -1. 070 31. 277 1.00 44. .76 C

ATOM 546 CG LEU A 430 -40. 363 0. 396 31. 160 1.00 44. 55 C

ATOM 547 CDl LEU A 430 -41. 373 0. 783 32. 243 1.00 44. 84 C

ATOM 548 CD2 LEU A 430 -39. 173 1. 330 31. 193 1.00 44. 47 C

ATOM 549 N ALA A 431 -41. 362 -1. 904 28. 720 1.00 44. 99 N

ATOM 550 CA ALA A 431 -42. 137 -1. 652 27. 508 1.00 45. 08 C

ATOM 551 C ALA A 431 -43. 393 -2. 524 27. 481 1.00 45. 23 C

ATOM 552 O ALA A 431 -44. 422 -2. 118 26. 939 1.00 45. 32 O

ATOM 553 CB ALA A 431 -41. 291 -1. 894 26. 273 1.00 44. 96 C

ATOM 554 N GLY A 432 -43. 303 -3. 715 28. 077 1.00 45. 19 N

ATOM 555 CA GLY A 432 -44. 458 -4. 584 28. 255 1.00 45. 06 C

ATOM 556 C GLY A 432 -45. 568 -3. 899 29. 032 1.00 45. 08 C

ATOM 557 O GLY A 432 -46. 673 -3. 726 28. 520 1.00 45. 03 O

ATOM 558 N GLN A 433 -45. 261 -3. 479 30. 258 1.00 45. 16 N

ATOM 559 CA GLN A 433 -46. 267 -2. 920 31. 176 1.00 45. 13 C

ATOM 560 C GLN A 433 -46. 806 -1. 549 30. 784 1.00 44. 87 C

ATOM 561 O GLN . A 433 -47. 848 -1. 135 31. 284 1.00 44. 83 O

ATOM 562 CB GLN . A 433 -45. 734 -2. 888 32. 611 1.00 45. 30 C

ATOM 563 CG GLN . A 433 -45. 864 -4. 221 33. 338 1.00 46. 04 C

ATOM 564 CD GLN . A 433 -44. 721 -4. 477 34. 306 1.00 47. 10 C

ATOM 565 OEl GLN , A 433 -43. 544 -4. 363 33. 947 1.00 47. 25 O

-UO-

# 10691216 \

ATOM 566 NE2i GLN A 433 -45.063 -4.839 35.541 1.00 47.22 N

ATOM 567 N LEU A 434 -46 .099 -0 .842 29 .906 1 .00 44 .68 N

ATOM 568 CA LEU A 434 -46 .623 0 .404 29 .350 1 .00 44 .53 C

ATOM 569 C LEU A 434 -47 .537 0 .142 28 .160 1 .00 44 .36 C

ATOM 570 O LEU A 434 -48 .573 0 .794 28 .016 1 .00 44 .28 O

ATOM 571 CB LEU A 434 -45 .500 1 .363 28 .945 1 .00 44 .53 C

ATOM 572 CG LEU A 434 -44 .808 2 .229 30 .004 1 .00 44 .81 C

ATOM 573 CDl LEU A 434 -44 .179 3 .425 29 .314 1 .00 45 .19 C

ATOM 574 CD2 LEU A 434 -45 .745 2 .705 31 .118 1 .00 44 .95 C

ATOM 575 N GLY A 435 -47 .141 -0 .810 27 .317 1 .00 44 .16 N

ATOM 576 CA GLY A 435 -47 .894 - 1 .162 26 .120 1 .00 44 .10 C

ATOM 577 C GLY A 435 -47 .424 -0 .427 24 .881 1 .00 44 .09 C

ATOM 578 O GLY A 435 -46 .794 0 .623 24 .971 1 .00 43 .97 O

ATOM 579 N VAL A 436 -47 .754 -0 .991 23 .722 1 .00 44 .37 N

ATOM 580 CA VAL A 436 -47 .385 -0 .451 22 .407 1 .00 44 .65 C

ATOM 581 C VAL A 436 -47 .667 1 .055 22 .223 1 .00 45 .00 C

ATOM 582 O VAL A 436 -46 .823 1 .786 21 .699 1 .00 45 .11 O

ATOM 583 CB VAL A 436 -48 .035 -1 .298 21 .252 1 .00 44 .62 C

ATOM 584 CGl VAL A 436 -49 .552 -1 .438 21 .437 1 .00 44 .34 C

ATOM 585 CG2 VAL A 436 -47 .695 -0 .740 19 .874 1 .00 44 .44 C

ATOM 586 N GLU A 437 -48 .835 1 .509 22 .677 1 .00 45 .34 N

ATOM 587 CA GLU A 437 -49 .305 2 .880 22 .427 1 .00 45 .63 C

ATOM 588 C GLU A 437 -48 .532 3 .975 23 .176 1 .00 45 .91 C

ATOM 589 O GLU A 437 -48 .643 5 .158 22 .839 1 .00 45 .90 O

ATOM 590 CB GLU A 437 -50 .806 2 .991 22 .729 1 .00 45 .57 C

ATOM 591 CG GLU A 437 -51 .666 1 .840 22 .189 1. .00 45 .55 C

ATOM 592 CD GLU A 437 -51 .823 1 .839 20 .671 1. .00 45 .48 C

ATOM 593 OEl GLU A 437 -50 .953 2 .394 19 .964 1. .00 45 .85 O

ATOM 594 OE2 GLU A 437 -52 .822 1 .265 20 .181 1. .00 44 .95 O

ATOM 595 N PHE A 438 -47 .758 3 .574 24 .184 1. 00 46. .25 N

ATOM 596 CA PHE A 438 -46. .957 4 .496 24. .990 1. 00 46. .61 C

ATOM 597 C PHE A 438 -45. .462 4. .253 24. .794 1. 00 47. ,01 C

ATOM 598 O PHE A 438 -44. .626 4. .780 25. .537 1. 00 46. ,88 O

ATOM 599 CB PHE A 438 -47. , 338 4. .374 26. .470 1. 00 46. .50 C

ATOM 600 CG PHE A 438 -48. .672 4. .971 26. .797 1. 00 46. 59 C

ATOM 601 CDl PHE A 438 -49. .845 4. .240 26. 613 1. 00 46. 78 C

ATOM 602 CD2 PHE A 438 -48. .762 6. .272 27. 278 1. 00 46. 59 C

ATOM 603 CEl PHE A 438 -51. 087 4. 798 26. 906 1. 00 46. 58 C

ATOM 604 CE2 PHE A 438 -49. 999 6. 837 27. 574 1. 00 46. 73 C

ATOM 605 CZ PHE A 438 -51. 161 6. 100 27. 388 1. 00 46. 55 C

ATOM 606 N PHE A 439 -45. 135 3. 455 23. 782 1. 00 47. 60 N

ATOM 607 CA PHE A 439 -43. 748 3. 130 23. 480 1. 00 48. 21 C

ATOM 608 C PHE A 439 -43. 149 4. 073 22. 441 1. 00 48. 43 C

ATOM 609 O PHE A 439 -42. 033 4. 567 22. 617 1. 00 48. 60 O

ATOM 610 CB PHE A 439 -43. 597 1. 673 23. 031 1. 00 48. 30 C

ATOM 611 CG PHE A 439 -42. 184 1. 302 22. 690 1. 00 48. 69 C

ATOM 612 CDl PHE A 439 -41. 300 0. 899 23. 686 1. 00 48. 97 C

ATOM 613 CD2 PHE A 439 -41. 724 1. 389 21. 376 1. 00 49. 30 C

ATOM 614 CEl PHE A 439 -39. 981 0. 570 23. 376 1. 00 49. 30 C

ATOM 615 CE2 PHE . A 439 -40. 408 1. 064 21. 055 1. 00 49. 28 C

ATOM 616 CZ PHE . A 439 -39. 536 0. 654 22. 057 1. 00 49. 09 C

ATOM 617 N ASP . A 440 -43. 886 4. 309 21. 359 1. 00 48. 78 N

ATOM 618 CA ASP . A 440 -43. 456 5. 232 20. 306 1. 00 49. 20 C

ATOM 619 C ASP . 440 -43. 287 6. 645 20. 876 1. 00 49. 41 C

ATOM 620 O ASP . A . 440 -42. 600 7. 490 20. 297 1. 00 49. 35 O

ATOM 621 CB ASP ,h • 440 -44. 459 5. 221 19. 148 1. 00 49. 22 C

ATOM 622 CG ASP j 140 -44. 906 3. 809 18. 773 1. 00 49. 33 C

#10691216 vl

ATOM 623 ODl ASP A 440 -44.042 2.984 18.395 1.00 49.43 O

ATOM 624 OD2 ASP A 440 -46 .123 3 .527 18 .859 1.00 48 .71 O

ATOM 625 N GLU A 441 -43 .919 6 .864 22 .028 1.00 49 .70 N

ATOM 626 CA GLU A 441 -43 .823 8 .087 22 .811 1.00 49 .97 C

ATOM 627 C GLU A 441 -42 .408 8 .294 23 .368 1.00 50 .20 C

ATOM 628 O GLU A 441 -41 .512 8 .758 22 .659 1.00 50 .38 O

ATOM 629 CB GLU A 441 -44 .842 8 .016 23 .955 1.00 49 .95 C

ATOM 630 CG GLU A 441 -45 .276 9 .351 24 .533 1.00 50 .14 C

ATOM 631 CD GLU A 441 -46 .460 9 .212 25 .478 1.00 49 .98 C

ATOM 632 OEl GLU A 441 -47 .520 9 .814 25 .196 1.00 49 .45 O

ATOM 633 OE2 GLU A 441 -46 .332 8 .492 26 .493 1.00 49 .79 O

ATOM 634 N LYS A 442 -42 .211 7 .922 24 .630 1.00 50 .31 N

ATOM 635 CA LYS A 442 -40 .992 8 .253 25 .365 1.00 50 .41 C

ATOM 636 C LYS A 442 -39 .794 7 .362 25 .010 1.00 50 .41 C

ATOM 637 O LYS A 442 -38 .656 7 .837 24 .918 1.00 50 .47 O

ATOM 638 CB LYS A 442 -41 .256 8 .180 26 .878 1.00 50 .48 C

ATOM 639 CG LYS A 442 -42 .660 8 .602 27 .331 1.00 50 .55 C

ATOM 640 CD LYS A 442 -42 .853 10 .116 27 .297 1.00 50 .83 C

ATOM 641 CE LYS A 442 -44 .165 10 .521 27 .959 1.00 50 .77 C

ATOM 642 NZ LYS A 442 -44 .473 11 .967 27 .779 1.00 50 .59 N

ATOM 643 N LEU A 443 -40 .066 6 .078 24 .792 1.00 50 .19 N

ATOM 644 CA LEU A 443 -39 .029 5 .046 24 .814 1.00 50 .02 C

ATOM 645 C LEU A 443 -38 .424 4 .672 23 .459 1.00 49 .67 C

ATOM 646 O LEU A 443 -37 .324 4 .116 23 .408 1.00 49 .49 O

ATOM 647 CB LEU A 443 -39 .556 3 .789 25 .522 1.00 50 .11 C

ATOM 648 CG LEU A 443 -39 .948 3 .890 27 .003 1.00 50 .24 C

ATOM 649 CDl LEU A 443 -41 .323 4 .520 27 .186 1.00 50 .56 C

ATOM 650 CD2 LEU A 443 -39 .929 2 .514 27 .643 1.00 50 , .40 C

ATOM 651 N ASN A 444 -39 .139 4 .961 22 .373 1.00 49. .47 N

ATOM 652 CA ASN A 444 -38 .640 4 .688 21 .020 1.00 49. .37 C

ATOM 653 C ASN A 444 -37 .292 5. .358 20. .739 1.00 49. .14 C

ATOM 654 O ASN A 444 -36 .381 4. .728 20. .193 1.00 49. .15 O

ATOM 655 CB ASN A 444 -39 .667 5. .102 19. .954 1.00 49. .46 C

ATOM 656 CG ASN A 444 -39. .142 4. .928 18. .527 1.00 49. 75 C

ATOM 657 ODl ASN A 444 -38. .897 3. ,810 18. .073 1.00 50. 65 O

ATOM 658 ND2 ASN A 444 -38. ,973 6. .038 17. 818 1.00 49. 81 N

ATOM 659 N SER A 445 -37. 174 6. 630 21. 115 1.00 48. 80 N

ATOM 660 CA SER A 445 -35. 934 7. 376 20. 919 1.00 48. 57 C

ATOM 661 C SER A 445 -34. 797 6. 796 21. 765 1.00 48. 07 C

ATOM 662 O SER A 445 -33. 679 6. 652 21. 281 1.00 48. 00 O

ATOM 663 CB SER A 445 -36. 131 8. 883 21. 169 1.00 48. 72 C

ATOM 664 OG SER A 445 -36. 668 9. 147 22. 456 1.00 49. 32 O

ATOM 665 N LEU A 446 -35. 098 6. 446 23. 013 1.00 47. 56 N

ATOM 666 CA LEU A 446 -34. 141 5. 770 23. 883 1.00 47. 21 C

ATOM 667 C LEU A 446 -33. 624 4. 480 23. 258 1.00 47. 02 C

ATOM 668 O LEU A 446 -32. 420 4. 240 23. 228 1.00 47. 14 O

ATOM 669 CB LEU A 446 -34. 768 5. 468 25. 245 1.00 47. 20 C

ATOM 670 CG LEU A 446 -34. 603 6. 468 26. 394 1.00 47. 24 C

ATOM 671 CDl LEU A 446 -35. 152 7. 857 26. 069 1.00 47. 10 C

ATOM 672 CD2 LEU A 446 -35. 267 5. 913 27. 649 1.00 47. 27 C

ATOM 673 N CYS A 447 -34. 537 3. 658 22. 754 1.00 46. 73 N

ATOM 674 CA CYS A 447 -34. 159 2. 403 22. 126 1.00 46. 57 C

ATOM 675 C CYS A 447 -33. 295 2. 606 20. 876 1.00 46. 39 C

ATOM 676 O CYS A 447 -32. 304 1. 900 20. 689 1.00 46. 51 O

ATOM 677 CB CYS A 447 -35. 396 1. 552 21. 817 1.00 46. 74 C

ATOM 678 SG CYS A 447 -36. 174 0. 784 23. 286 1.00 46. 68 S

ATOM 679 N MET A 448 -33. 655 3. 577 20. 039 1.00 46. 06 N

-1 12-

« 10691216 v l

ATOM 680 CA MET ¹ A 448 -32.900 3.844 18.810 1.00 45.82 C

ATOM 681 C MET ¹ A 448 -31 .517 4 .435 19 .072 1.00 45 .42 C

ATOM 682 O MET ¹ A 448 -30 .555 4 .105 18 .373 1.00 45 .47 O

ATOM 683 CB MET A 448 -33 .671 4 .775 17 .867 1.00 46 .02 C

ATOM 684 CG MET A 448 -34 .859 4 .161 17 .116 1.00 47 .07 C

ATOM 685 SD MET A 448 -34 .716 2 .426 16 .618 1.00 48 .70 S

ATOM 686 CE MET A 448 -35 .832 1 .681 17 .805 1.00 48 .54 C

ATOM 687 N ALA A 449 -31 .426 5 .313 20 .070 1.00 44 .90 N

ATOM 688 CA ALA A 449 -30 .188 6 .047 20 .365 1.00 44 .23 C

ATOM 689 C ALA A 449 -29 .088 5 .144 20 .903 1.00 43 .84 C

ATOM 690 O ALA A 449 -27 .903 5 .437 20 .716 1.00 43 .73 O

ATOM 691 CB ALA A 449 -30 .452 7 .196 21 .333 1.00 44 .18 C

ATOM 692 N TRP A 450 -29 .486 4 .058 21 .571 1.00 43 .19 N

ATOM 693 CA TRP A 450 -28 .545 3 .061 22 .066 1.00 42 .67 C

ATOM 694 C TRP A 450 -27 .835 2 .332 20 .935 1.00 42 .51 C

ATOM 695 O TRP A 450 -26 .696 1 .905 21 .086 1.00 42 .61 O

ATOM 696 CB TRP A 450 -29 .247 2 .036 22 .952 1.00 42 .51 C

ATOM 697 CG TRP A 450 -29 .616 2 .524 24 .319 1.00 42 .57 C

ATOM 698 CDl TRP A 450 -28 .946 3 .441 25 .076 1.00 42 .29 C

ATOM 699 CD2 TRP A 450 -30 .734 2 .092 25 .108 1.00 42 .39 C

ATOM 700 NEl TRP A 450 -29 .582 3 .618 26 .280 1.00 42 .32 N

ATOM 701 CE2 TRP A 450 -30 .683 2 .803 26 .328 1.00 42 .24 C

ATOM 702 CE3 TRP A 450 -31 .777 1 .181 24 .899 1.00 41 .84 C

ATOM 703 CZ2 TRP A 450 -31 .630 2 .629 27 .337 1.00 41 .94 C

ATOM 704 CZ3 TRP A 450 -32 .717 1 .009 25 .901 1.00 42 .41 C

ATOM 705 CH2 TRP A 450 -32 .637 1 .733 27 .107 1.00 42 .38 C

ATOM 706 N LEU A 451 -28 .515 2 .185 19 .804 1.00 42 .46 N

ATOM 707 CA LEU A 451 -27 .953 1 .497 18 .645 1.00 42 .32 C

ATOM 708 C LEU A 451 -26 .704 2 .204 18 .148 1.00 42 .32 C

ATOM 709 O LEU A 451 -25. .875 1 .605 17 .466 1.00 42. .53 O

ATOM 710 CB LEU A 451 -28. .978 1 .439 17. .511 1.00 42. , 12 C

ATOM 711 CG LEU A 451 -30. .201 0. .538 17. .656 1.00 41. .82 C

ATOM 712 CDl LEU A 451 -31. .243 0. .959 16. .643 1.00 42. .35 C

ATOM 713 CD2 LEU A 451 -29. .844 -0. .931 17. .474 1.00 41. .32 C

ATOM 714 N VAL A 452 -26. 582 3. .477 18, 508 1.00 42. 11 N

ATOM 715 CA VAL A 452 -25. 570 4. .360 17. ,956 1.00 41. 95 C

ATOM 716 C VAL A 452 -24. 629 4. .881 19. 066 1.00 42. 16 C

ATOM 717 O VAL A 452 -23. 781 5. 751 18. 830 1.00 42. 12 O

ATOM 718 CB VAL A 452 -26. 257 5. 477 17. 115 1.00 41. 75 C

ATOM 719 CGl VAL A 452 -26. 517 6. 735 17. 929 1.00 41. 29 C

ATOM 720 CG2 VAL A 452 -25. 457 5. 776 15. 890 1.00 41. 94 C

ATOM 721 N ASP A 453 -24. 793 4. 307 20. 265 1.00 42. 36 N

ATOM 722 CA ASP A 453 -23. 925 4. 502 21. 441 1.00 42. 40 C

ATOM 723 C ASP A 453 -22. 458 4. 282 21. 095 1.00 42. 60 C

ATOM 724 O ASP A 453 -22. 131 3. 506 20. 202 1.00 42. 66 O

ATOM 725 CB ASP A 453 -24. 336 3. 505 22. 537 1.00 42. 23 C

ATOM 726 CG ASP A 453 -23. 790 3. 861 23. 928 1.00 42. 34 C

ATOM 727 ODl ASP A 453 -22. 556 3. 812 24. 152 1.00 41. 61 O

ATOM 728 OD2 ASP A 453 -24. 620 4. 142 24. 823 1.00 41. 93 O

ATOM 729 N HIS A 454 -21. 572 4. 953 21. 821 1.00 42. 92 N

ATOM 730 CA HIS A 454 -20. 141 4. 826 21. 583 1.00 43. 13 C

ATOM 731 C HIS A 454 -19. 576 3. 447 21. 944 1.00 43. 26 C

ATOM 732 O HIS A 454 -18. 614 2. 998 21. 325 1.00 43. 42 O

ATOM 733 CB HIS A 454 -19. 379 5. 928 22. 319 1.00 43. 20 C

ATOM 734 CG HIS A 454 -19. 429 7. 261 21. 636 1.00 43. 51 C

ATOM 735 NDl HIS . A 454 -19. 858 8. 406 22. 271 1.00 44. 03 N

ATOM 736 CD2 HIS . A 454 -19. 091 7. 634 20. 378 1.00 43. 71 C

-1 13-

#10691216 v l

ATOM 737 CEl. HIS A 454 -19i.782 9.428 21.435 1.00I 43.82 C

ATOM 738 NE2 ; HIS A 454 -19 .321 8.985 20 .279 1.00 43 .75 N

ATOM 739 N VAL A 455 -20 .173 2.788 22 .937 1.00 43 .46 N

ATOM 740 CA VAL A 455 -19 .714 1.478 23 .414 1.00 43 .70 C

ATOM 741 C VAL A 455 -20 .409 0.327 22 .675 1.00 43 .95 C

ATOM 742 O VAL A 455 -21 .634 0.188 22 .756 1.00 44 .21 O

ATOM 743 CB VAL A 455 -19 .963 1.314 24 .935 1.00 43 .77 C

ATOM 744 CGl VAL A 455 -19 .610 -0.108 25 .404 1.00 43 .71 C

ATOM 745 CG2 VAL A 455 -19 .187 2.359 25 .729 1.00 43 .56 C

ATOM 746 N TYR A 456 -19 .624 -0.505 21 .986 1.00 43 .89 N

ATOM 747 CA TYR A 456 -20 .156 -1.643 21 .229 1.00 43 .87 C

ATOM 748 C TYR A 456 -21 .123 -2.533 22 .011 1.00 43 .69 C

ATOM 749 O TYR A 456 -22 .149 -2.947 21 .478 1.00 43 .53 O

ATOM 750 CB TYR A 456 -19 .037 -2.528 20 .680 1.00 44 .24 C

ATOM 751 CG TYR A 456 -19 .567 -3.861 20 .172 1.00 45 .11 C

ATOM 752 CDl TYR A 456 -19 .564 -4.997 20 .989 1.00 44 .18 C

ATOM 753 CD2 TYR A 456 -20 .117 -3.973 18 .884 1.00 45 .19 C

ATOM 754 CEl TYR A 456 -20 .071 -6.213 20 .532 1.00 44 .52 C

ATOM 755 CE2 TYR A 456 -20 .625 -5.189 18 .417 1.00 44 .86 C

ATOM 756 CZ TYR A 456 -20 .597 -6.302 19 .244 1.00 45 .14 C

ATOM 757 OH TYR A 456 -21 .099 -7.503 18 .787 1.00 45 .70 O

ATOM 758 N ALA A 457 -20 .774 -2.852 23 .255 1.00 43 .42 N

ATOM 759 CA ALA A 457 -21 .601 -3.721 24 .081 1.00 43 .35 C

ATOM 760 C ALA A 457 -23 .001 -3.147 24 .313 1.00 43 .43 C

ATOM 761 O ALA A 457 -23 .942 -3.896 24 .571 1.00 43 .35 O

ATOM 762 CB ALA A 457 -20 .913 -4.028 25 .400 1.00 43 .21 C

ATOM 763 N ILE A 458 -23 .128 -1.825 24 .215 1.00 43 .57 N

ATOM 764 CA ILE A 458 -24 .429 -1.168 24 .285 1.00 43 .83 C

ATOM 765 C ILE A 458 -25 .190 -1.346 22 .967 1.00 44 .23 C

ATOM 766 O ILE A 458 -26 .348 -1.781 22 .965 1.00 44 .51 O

ATOM 767 CB ILE A 458 -24 .298 0.332 24. .635 1.00 43 .77 C

ATOM 768 CGl ILE A 458 -23 .752 0.512 26. .060 1.00 43 .84 C

ATOM 769 CG2 ILE A 458 -25 .633 1.049 24 , .449 1.00 43 .48 C

ATOM 770 CDl ILE A 458 -24. .570 -0.173 27. .165 1.00 43. .67 C

ATOM 771 N ARG A 459 -24. .527 -1.024 21. .854 1.00 44. .35 N

ATOM 772 CA ARG A 459 -25. .081 -1.223 20. 519 1.00 44. .45 C

ATOM 773 C ARG A 459 -25. .525 -2.660 20. 315 1.00 44. .74 C

ATOM 774 O ARG A 459 -26. 556 -2.914 19. 706 1.00 45. 10 O

ATOM 775 CB ARG A 459 -24. 054 -0.854 19. 454 1.00 44. 51 C

ATOM 776 CG ARG A 459 -23. 528 0.567 19. 568 1.00 44. 00 C

ATOM 111 CD ARG A 459 -22. 944 1.052 18. 259 1.00 43. 82 C

ATOM 778 NE ARG A 459 -21. 727 0.344 17. 856 1.00 44. 55 N

ATOM 779 CZ ARG A 459 -20. 520 0.538 18. 387 1.00 44. 57 C

ATOM 780 NHl ARG A 459 -20. 345 1.399 19. 382 1.00 45. 33 N

ATOM 781 NH2 ARG A 459 -19. 485 -0.149 17. 935 1.00 44. 53 N

ATOM 782 N GLU A 460 -24. 745 -3.591 20. 850 1.00 45. 13 N

ATOM 783 CA GLU A 460 -25. 023 -5.018 20. 740 1.00 45. 24 C

ATOM 784 C GLU A 460 -26. 205 -5.448 21. 596 1.00 45. 03 C

ATOM 785 O GLU A 460 -27. 021 -6.259 21. 159 1.00 45. 26 O

ATOM 786 CB GLU A 460 -23. 794 -5.823 21. 133 1.00 45. 32 C

ATOM 787 CG GLU A 460 -23. 808 -7.233 20. 615 1.00 47. 02 C

ATOM 788 CD GLU A 460 -23. 423 -8.228 21. 679 1.00 49. 77 C

ATOM 789 OEl GLU A 460 -24. 116 -9.268 21. 772 1.00 52. 13 O

ATOM 790 OE2 GLU A 460 -22. 453 -7.966 22. 434 1.00 49. 37 O

ATOM 791 N ALA . A 461 -26. 290 -4.924 22. 816 1.00 44. 71 N

ATOM 792 CA ALA . A 461 -27. 412 -5.237 23. 695 1.00 44. 49 C

ATOM 793 C ALA . A 461 -28. 701 -4.623 23. 154 1.00 44. 63 C

-1 14-

# 10691216 vl

ATOM 794 O ALA. A 461 -29'.780 -5.230 23.251 1.00 44.35 O

ATOM 795 CB ALA . A 461 -27 .144 -4 .740 25 .084 1.00 44 .56 C

ATOM 796 N ALA . A 462 -28 .567 -3 .419 22 .582 1.00 44 .45 N

ATOM 797 CA ALA . A 462 -29 .681 -2 .679 21 .992 1.00 44 .19 C

ATOM 798 C ALA . A 462 -30 .226 -3 .409 20 .783 1.00 44 .16 C

ATOM 799 O ALA A 462 -31 .412 -3 .329 20 .472 1.00 44 .06 O

ATOM 800 CB ALA A 462 -29 .240 -1 .297 21 .602 1.00 44 .14 C

ATOM 801 N THR A 463 -29 .339 -4 .115 20 .099 1.00 44 .38 N

ATOM 802 CA THR A 463 -29 .709 -4 .921 18 .957 1.00 44 .66 C

ATOM 803 C THR A 463 -30 .624 -6 .048 19 .403 1.00 44 .77 C

ATOM 804 O THR A 463 -31 .753 -6 .153 18 .927 1.00 45 .10 O

ATOM 805 CB THR A 463 -28 .459 -5 .447 18 .253 1.00 44 .64 C

ATOM 806 OGl THR A 463 -27 .791 -4 .339 17 .640 1.00 45 .06 O

ATOM 807 CG2 THR A 463 -28 .814 -6 .480 17 .190 1.00 44 .75 C

ATOM 808 N SER A 464 -30 .154 -6 .860 20 .347 1.00 44 .79 N

ATOM 809 CA SER A 464 -30 .941 -7 .974 20 .856 1.00 44 .73 C

ATOM 810 C SER A 464 -32 .171 -7 .493 21 .652 1.00 44 .67 C

ATOM 811 O SER A 464 -33 .092 -8 .273 21 .927 1.00 44 .88 O

ATOM 812 CB SER A 464 -30 .059 -8 .918 21 .686 1.00 44 .66 C

ATOM 813 OG SER A 464 -30 .256 -8 .730 23 .080 1.00 45 .00 O

ATOM 814 N ASN A 465 -32 .178 -6 .211 22 .011 1.00 44 .41 N

ATOM 815 CA ASN A 465 -33 .318 -5 .606 22 .694 1.00 44 .42 C

ATOM 816 C ASN A 465 -34 .535 -5 .428 21 .776 1.00 44 .17 C

ATOM 817 O ASN A 465 -35 .684 -5 .638 22 .196 1.00 43 .98 O

ATOM 818 CB ASN A 465 -32 .919 -4 .264 23 .313 1.00 44 .65 C

ATOM 819 CG ASN A 465 -34 .095 -3 .542 23 .954 1.00 45 .33 C

ATOM 820 ODl ASN A 465 -34 .414 -2 .412 23 .576 1.00 46 .04 O

ATOM 821 ND2 ASN A 465 -34 .752 -4 .197 24 .921 1.00 44 .64 N

ATOM 822 N LEU A 466 -34 .272 -5 .043 20 .529 1.00 43 .79 N

ATOM 823 CA LEU A 466 -35 .319 -4 .893 19. .525 1.00 43 .60 C

ATOM 824 C LEU A 466 -36 .066 -6. .207 19. .308 1.00 43 .61 C

ATOM 825 O LEU A 466 -37. .285 -6. .211 19. .141 1.00 43 .60 O

ATOM 826 CB LEU A 466 -34. .734 -4. .387 18. ,201 1.00 43. .56 C

ATOM 827 CG LEU A 466 -34. .040 -3. .020 18. 218 1.00 43. .36 C

ATOM 828 CDl LEU A 466 -33. .276 -2. .768 16. 927 1.00 42. .93 C

ATOM 829 CD2 LEU A 466 -35. .039 -1. 909 18. 488 1.00 42. , 93 C

ATOM 830 N LYS A 467 -35. 323 -7. 315 19. 320 1.00 43. .51 N

ATOM 831 CA LYS A 467 -35. 893 -8. 647 19. 160 1.00 43. 24 C

ATOM 832 C LYS A 467 -36. 915 — 8 914 20. 247 1.00 43. 12 C

ATOM 833 O LYS A 467 -38. 031 -9. 354 19. 968 1.00 43. 30 O

ATOM 834 CB LYS A 467 -34. 798 -9. 712 19. 217 1.00 43. 27 C

ATOM 835 CG LYS A 467 -35. 267 -11. 095 18. 783 1.00 43. 73 C

ATOM 836 CD LYS A 467 -34. 254 -12. 180 19. 113 1.00 44. 14 C

ATOM 837 CE LYS A 467 -34. 863 -13. 552 18. 887 1.00 44. 95 C

ATOM 838 NZ LYS A 467 -33. 964 -14. 652 19. 315 1.00 45. 73 N

ATOM 839 N LYS A 468 -36. 531 -8. 637 21. 487 1.00 42. 92 N

ATOM 840 CA LYS A 468 -37. 412 -8. 856 22. 621 1.00 42. 76 C

ATOM 841 C LYS A 468 -38. 629 -7. 954 22. 515 1.00 42. 48 C

ATOM 842 O LYS A 468 -39. 725 -8. 326 22. 926 1.00 42. 46 O

ATOM 843 CB LYS A 468 -36. 657 -8. 635 23. 932 1.00 42. 94 C

ATOM 844 CG LYS A 468 -35. 744 -9. 798 24. 300 1.00 43. 58 C

ATOM 845 CD LYS A 468 -34. 694 -9. 394 25. 309 1.00 45. 20 C

ATOM 846 CE LYS A 468 -33. 671 -10. 505 25. 512 1.00 46. 32 C

ATOM 847 NZ LYS A 468 -32. 295 -9. 948 25. 740 1.00 47. 01 N

ATOM 848 N LEU . A 469 -38. 434 -6. 774 21. 931 1.00 42. 33 N

ATOM 849 CA LEU . A 469 -39. 545 -5. 859 21. 662 1.00 42. 00 C

ATOM 850 C LEU . A 469 -40. 518 -6. 387 20. 600 1.00 41. 66 C

-1 15-

1* 10691216 vl

ATOM 851 O LEU A 469 -41.730 -6.341 20.800 1.00 41.78 O

ATOM 852 CB LEU A 469 -39 .031 -4.460 21 .313 1.00 41 .91 C

ATOM 853 CG LEU A 469 -38 .392 -3.707 22 .487 1.00 41 .86 C

ATOM 854 CDl . LEU A 469 -37 .785 -2.397 22 .023 1.00 41 .11 C

ATOM 855 CD2 LEU A 469 -39 .394 -3.476 23 .627 1.00 41 .72 C

ATOM 856 N VAL A 470 -39 .989 -6.904 19 .494 1.00 41 .25 N

ATOM 857 CA VAL A 470 -40 .817 -7.511 18 .453 1.00 41 .04 C

ATOM 858 C VAL A 470 -41 .547 -8.740 18 .994 1.00 41 .03 C

ATOM 859 O VAL A 470 -42 .666 -9.046 18 .570 1.00 40 .98 O

ATOM 860 CB VAL A 470 -39 .997 -7.875 17 .193 1.00 41 .07 C

ATOM 861 CGl VAL A 470 -40 .866 -8.563 16 .137 1.00 40 .55 C

ATOM 862 CG2 VAL A 470 -39 .364 -6.631 16 .602 1.00 41 .17 C

ATOM 863 N GLU A 471 -40 .920 -9.427 19 .944 1.00 40 .92 N

ATOM 864 CA GLU A 471 -41 .544 -10.579 20 .586 1.00 40 .87 C

ATOM 865 C GLU A 471 -42 .802 -10.192 21 .357 1.00 40 .74 C

ATOM 866 O GLU A 471 -43 .753 -10.963 21 .415 1.00 40 .83 O

ATOM 867 CB GLU A 471 -40 .554 -11.292 21 .501 1.00 40 .89 C

ATOM 868 CG GLU A 471 -39 .552 -12.176 20 .767 1.00 41 .35 C

ATOM 869 CD GLU A 471 -38 .425 -12.656 21 .666 1.00 42 .44 C

ATOM 870 OEl GLU A 471 -38 .581 -12.614 22 .905 1.00 43 .05 O

ATOM 871 OE2 GLU A 471 -37 .376 -13.073 21 .135 1.00 42 .90 O

ATOM 872 N LYS A 472 -42 .807 -8.991 21 .928 1.00 40 .76 N

ATOM 873 CA LYS A 472 -43 .950 -8.502 22 .691 1.00 40 .83 C

ATOM 874 C LYS A 472 -45 .003 -7.810 21 .828 1.00 40 .73 C

ATOM 875 O LYS A 472 -46 .194 -8.084 21 .974 1.00 40 .70 O

ATOM 876 CB LYS A 472 -43 .505 -7.566 23 .820 1.00 41 .02 C

ATOM 877 CG LYS A 472 -42 .540 -8.197 24 .811 1.00 41 .55 C

ATOM 878 CD LYS A 472 -42 .745 -7.680 26 .237 1.00 41. .89 C

ATOM 879 CE LYS A 472 -41 .897 -8.485 27 .223 1.00 42. .12 C

ATOM 880 NZ LYS A 472 -42 .559 -8.688 28 .544 1.00 42. .15 N

ATOM 881 N PHE A 473 -44. .573 -6.925 20 .931 1.00 40. .68 N

ATOM 882 CA PHE A 473 -45. .519 -6.079 20 .180 1.00 40. 68 C

ATOM 883 C PHE A 473 -45 , .984 -6.591 18. .808 1.00 40. 71 C

ATOM 884 O PHE A 473 -46. .982 -6.102 18. .278 1.00 40. 68 O

ATOM 885 CB PHE A 473 -44. .996 -4.646 20. .053 1.00 40. 51 C

ATOM 886 CG PHE A 473 -44. 667 -3.997 21. .366 1.00 40. 41 C

ATOM 887 CDl PHE A 473 -45. 502 -4.151 22. 468 1.00 39. 58 C

ATOM 888 CD2 PHE A 473 -43. 523 -3.210 21. 495 1.00 40. 82 C

ATOM 889 CEl PHE A 473 -45. 200 -3.552 23. 683 1.00 39. 49 C

ATOM 890 CE2 PHE A 473 -43. 212 -2.598 22. 710 1.00 40. 83 C

ATOM 891 CZ PHE A 473 -44. 057 -2.775 23. 808 1.00 40. 24 C

ATOM 892 N GLY A 474 -45. 270 -7.553 18. 230 1.00 40. 81 N

ATOM 893 CA GLY A 474 -45. 686 -8.148 16. 961 1.00 41. 03 C

ATOM 894 C GLY A 474 -44. 921 -7.644 15. 751 1.00 41. 25 C

ATOM 895 O GLY A 474 -44. 436 -6.511 15. 734 1.00 41. 04 O

ATOM 896 N LYS A 475 -44. 829 -8.499 14. 733 1.00 41. 58 N

ATOM 897 CA LYS A 475 -44. 030 -8.232 13. 529 1.00 41. 83 C

ATOM 898 C LYS A 475 -44. 560 -7.045 12. 723 1.00 42. 11 C

ATOM 899 O LYS A 475 -43. 799 -6.359 12. 032 1.00 42. 05 O

ATOM 900 CB LYS A 475 -43. 916 -9.497 12. 657 1.00 41. 78 C

ATOM 901 CG LYS A 475 -45. 235 -10.056 12. 101 1.00 41. 80 C

ATOM 902 CD LYS A 475 -45. 349 -11.559 12. 356 1.00 42. 38 C

ATOM 903 CE LYS A 475 -45. 951 -11.835 13. 746 1.00 43. 35 C

ATOM 904 NZ LYS . A 475 -45. 315 -12.978 14. 475 1.00 43. 15 N

ATOM 905 N GLU . A 476 -45. 868 -6.815 12. 829 1.00 42. 35 N

ATOM 906 CA GLU . A 476 -46. 532 -5.700 12. 164 1.00 42. ^■ 48 C

ATOM 907 C GLU , A 476 -46. 000 -4.391 12. 735 1.00 42. 32 C

-116-

#10691216 vl

ATOM 908 O GLU A 476 -45.538 -3.526 11.992 1.00 42:.35 O

ATOM 909 CB GLU A 476 -48 .051 -5 .780 12 .360 1.00 42 .60 C

ATOM 910 CG GLU A 476 -48 .578 -7 .155 12 .802 1.00 43 .40 C

ATOM 911 CD GLU A 476 -48 .532 -8 .209 11 .703 1.00 44 .05 C

ATOM 912 OEl GLU A 476 -48 .471 -7 .835 10 .510 1.00 44 .58 O

ATOM 913 OE2 GLU A 476 -48 .563 -9 .415 12 .037 1.00 43 .85 O

ATOM 914 N TRP A 477 -46 .054 -4 .273 14 .062 1.00 42 .27 N

ATOM 915 CA TRP A 477 -45 .538 -3 .117 14 .790 1.00 42 .23 C

ATOM 916 C TRP A 477 -44 .094 -2 .786 14 .408 1.00 42 .30 C

ATOM 917 O TRP A 477 -43 .722 -1 .616 14 .304 1.00 42 .32 O

ATOM 918 CB TRP A 477 -45 .635 -3 .365 16 .297 1.00 42 .28 C

ATOM 919 CG TRP A 477 -44 .806 -2 .421 17 .095 1.00 42 .24 C

ATOM 920 CDl TRP A 477 -45 .142 -1 .155 17 .466 1.00 42 .55 C

ATOM 921 CD2 TRP A 477 -43 .488 -2 .653 17 .602 1.00 42 .60 C

ATOM 922 NEl TRP A 477 -44 .120 -0 .582 18 .183 1.00 42 .78 N

ATOM 923 CE2 TRP A 477 -43 .090 -1 .479 18 .281 1.00 42 .87 C

ATOM 924 CE3 TRP A 477 -42 .602 _ 3 .740 17 .550 1.00 42 .78 C

ATOM 925 CZ2 TRP A 477 -41 .842 -1 .358 18 .907 1.00 42 .72 C

ATOM 926 CZ3 TRP A 477 -41 .364 -3 .623 18 .174 1.00 42 .67 C

ATOM 927 CH2 TRP A 477 -40 .998 -2 .438 18 .848 1.00 42 .75 C

ATOM 928 N ALA A 478 -43 .294 -3 .830 14 .210 1.00 42 .33 N

ATOM 929 CA ALA A 478 -41 .895 -3 .700 13 .837 1.00 42 .32 C

ATOM 930 C ALA A 478 -41 .717 -3 .092 12 .447 1.00 42 .48 C

ATOM 931 O ALA A 478 -40 .853 -2 .229 12 .250 1.00 42 .66 O

ATOM 932 CB ALA A 478 -41 .217 -5 .051 13 .912 1.00 42 .37 C

ATOM 933 N HIS A 479 -42 .527 -3 .544 11 .488 1.00 42 .57 N

ATOM 934 CA HIS A 479 -42 .458 -3 .041 10 .112 1.00 42 .63 C

ATOM 935 C HIS A 479 -42. .754 -1 .548 10 .033 1.00 42 .64 C

ATOM 936 O HIS A 479 -42, .205 -0 .847 9 .182 1.00 42 .72 O

ATOM 937 CB HIS A 479 -43. .390 -3 .826 9 .181 1.00 42 .63 C

ATOM 938 CG HIS A 479 -43. .654 -3, .143 7. .874 1.00 42 .86 C

ATOM 939 NDl HIS A 479 -42. .647 -2. .622 7. .088 1.00 42 .92 N

ATOM 940 CD2 HIS A 479 -44. .812 -2. .891 7. .218 1.00 43. .05 C

ATOM 941 CEl HIS A 479 -43. 175 -2. .071 6. .009 1.00 43. .25 C

ATOM 942 NE2 HIS A 479 -44. 486 -2. 227 6. 060 1.00 43. ,23 N

ATOM 943 N ALA A 480 -43. 619 -1. 071 10. 921 1.00 42. .67 N

ATOM 944 CA ALA A 480 -43. 940 0. 344 10. 998 1.00 42. .87 C

ATOM 945 C ALA A 480 -42. 832 1. 114 11. 711 1.00 43. 08 C

ATOM 946 O ALA A 480 -42. 108 1. 893 11. 095 1.00 43. 15 O

ATOM 947 CB ALA A 480 -45. 282 0. 549 11. 702 1.00 42. 84 C

ATOM 948 N THR A 481 -42. 696 0. 863 13. 008 1.00 43. 46 N

ATOM 949 CA THR A 481 -41. 848 1. 658 13. 887 1.00 43. 74 C

ATOM 950 C THR A 481 -40. 351 1. 392 13. 735 1.00 43. 83 C

ATOM 951 O THR A 481 -39. 582 2. 305 13. 445 1.00 44. 15 O

ATOM 952 CB THR A 481 -42. 257 1. 442 15. 360 1.00 43. 76 C

ATOM 953 OGl THR A 481 -43. 644 1. 756 15. 511 1.00 43. 77 O

ATOM 954 CG2 THR A 481 -41. 423 2. 320 16. 302 1.00 43. 92 C

ATOM 955 N ILE A 482 -39. 950 0. 143 13. 929 1.00 43. 93 N

ATOM 956 CA ILE A 482 -38. 550 -0. 190 14. 160 1.00 44. 07 C

ATOM 957 C ILE A 482 -37. 718 -0. 245 12. 884 1.00 44. 28 C

ATOM 958 O ILE A 482 -36. 704 0. 457 12. 765 1.00 44. 34 O

ATOM 959 CB ILE . A 482 -38. 413 -1. 531 14. 949 1.00 44. 05 C

ATOM 960 CGl ILE . A 482 -39. 185 -1. 470 16. 272 1.00 43. 69 C

ATOM 961 CG2 ILE . A 482 -36. 943 -1. 900 15. 172 1.00 44. 09 C

ATOM 962 CDl ILE . A 482 -38. 798 -0. 313 17. 193 1.00 43. 61 C

ATOM 963 N ILE . A 483 -38. 159 - 1 070 11. 938 1.00 44. 41 N

ATOM 964 CA ILE ; A 483 -37. 361 -1. 399 10. 757 1.00 44. 75 C

-1 17-

^ I O69 ! 2 t 6 v l

ATOM 965 C ILE A 483 -36.801 -0.186 9.984 1.00 45.03 C

ATOM 966 O ILE A 483 -35 .629 -0 .204 9 .608 1 .00 45 .11 O

ATOM 967 CB ILE A 483 -38 .091 -2 .418 9 .837 1 .00 44 .75 C

ATOM 968 CGl ILE A 483 -38 .139 -3 .786 10 .527 1 .00 44 .79 C

ATOM 969 CG2 ILE A 483 -37 .403 -2 .523 8 .469 1 .00 44 .59 C

ATOM 970 CDl ILE A 483 -39 .130 -4 .762 9 .922 1 .00 46 .13 C

ATOM 971 N PRO A 484 -37 .618 0 .866 9 .754 1 .00 45 .30 N

ATOM 972 CA PRO A 484 -37 .051 2 .011 9 .035 1 .00 45 .65 C

ATOM 973 C PRO A 484 -35 .856 2 .668 9 .746 1 .00 45 .88 C

ATOM 974 O PRO A 484 -34 .844 2 .956 9 .104 1 .00 45 .86 O

ATOM 975 CB PRO A 484 -38 .236 2 .984 8 .932 1 .00 45 .63 C

ATOM 976 CG PRO A 484 -39 .442 2 .133 9 .095 1 .00 45 .30 C

ATOM 977 CD PRO A 484 -39 .040 1 .087 10 .074 1 .00 45 .27 C

ATOM 978 N LYS A 485 -35 .968 2 .881 11 .054 1 .00 46 .15 N

ATOM 979 CA LYS A 485 -34 .902 3 .522 11 .831 1 .00 46 .65 C

ATOM 980 C LYS A 485 -33 .622 2 .682 11 .839 1 .00 46 .67 C

ATOM 981 O LYS A 485 -32 .510 3 .216 11 .928 1 .00 46 .64 O

ATOM 982 CB LYS A 485 -35 .383 3 .807 13 .254 1 .00 46 .85 C

ATOM 983 CG LYS A 485 -36 .493 4 .853 13 .303 1 .00 47 .66 C

ATOM 984 CD LYS A 485 -37 .406 4 .697 14 .519 1 .00 48 .44 C

ATOM 985 CE LYS A 485 -38 .675 5 .524 14 .350 1 .00 49 .10 C

ATOM 986 NZ LYS A 485 -38 .394 6 .883 13 .777 1 .00 49 .74 N

ATOM 987 N VAL A 486 -33 .806 1 .367 11 .732 1 .00 46 .62 N

ATOM 988 CA VAL A 486 -32 .716 0 .412 11 .549 1 .00 46 .38 C

ATOM 989 C VAL A 486 -32 .113 0 .494 10 .129 1 .00 46 .33 C

ATOM 990 O VAL A 486 -30 .900 0 .330 9 .952 1 .00 46 .35 O

ATOM 991 CB VAL A 486 -33 .193 -1 .027 11 .865 1 .00 46 .20 C

ATOM 992 CGl VAL A 486 -32 .119 -2 .044 11 .535 1 .00 46 .27 C

ATOM 993 CG2 VAL A 486 -33 .597 -1 .141 13 .327 1 .00 46 .11 C

ATOM 994 N LEU A 487 -32. .949 0 .757 9 .128 1 .00 46 .20 N

ATOM 995 CA LEU A 487 -32. .467 0 .887 7 .751 1. .00 46 .26 C

ATOM 996 C LEU A 487 -31. .659 2 .166 7. .524 1. .00 46 .25 C

ATOM 997 O LEU A 487 -30. , 840 2. .230 6. .611 1. .00 46 .15 O

ATOM 998 CB LEU A 487 -33. .621 0. .799 6. .745 1. .00 46 .22 C

ATOM 999 CG LEU A 487 -34. 363 -0. .531 6. .571 1. .00 46. .11 C

ATOM 1000 CDl LEU A 487 -35. 216 -0. .463 5. .318 1. 00 46. .68 C

ATOM 1001 CD2 LEU A 487 -33. 424 -1. .733 6. 505 1. 00 45. ,69 C

ATOM 1002 N ALA A 488 -31. 901 3. 173 8. 360 1. 00 46. .37 N

ATOM 1003 CA ALA A 488 -31. 173 4. 438 8. 314 1. 00 46. 47 C

ATOM 1004 C ALA A 488 -29. 666 4. 248 8. 488 1. 00 46. 64 C

ATOM 1005 O ALA A 488 -28. 865 4. 761 7. 701 1. 00 46. 75 O

ATOM 1006 CB ALA A 488 -31. 711 5. 389 9. 371 1. 00 46. 46 C

ATOM 1007 N MET A 489 -29. 280 3. 494 9. 510 1. 00 46. 76 N

ATOM 1008 CA MET A 489 -27. 867 3. 306 9. 826 1. 00 46. 88 C

ATOM 1009 C MET A 489 -27. 061 2. 656 8. 696 1. 00 46. 79 C

ATOM 1010 O MET A 489 -25. 830 2. 628 8. 756 1. 00 47. 09 O

ATOM 1011 CB MET A 489 -27. 696 2. 505 11. 115 1. 00 46. 80 C

ATOM 1012 CG MET A 489 -28. 394 3. 080 12. 331 1. 00 46. 86 C

ATOM 1013 SD MET A 489 -27. 974 2. 119 13. 796 1. 00 47. 22 S

ATOM 1014 CE MET A 489 -28. 646 0. 506 13. 371 1. 00 46. 32 C

ATOM 1015 N SER A 490 -27. 745 2. 138 7. 676 1. 00 46. 56 N

ATOM 1016 CA SER A 490 -27. 069 1. 542 6. 517 1. 00 46. 30 C

ATOM 1017 C SER A 490 -26. 261 2. 577 5. 726 1. 00 46. 13 C

ATOM 1018 O SER A 490 -25. 243 2. 244 5. 128 1. 00 46. 02 O

ATOM 1019 CB SER A 490 -28. 069 0. 847 5. 594 1. 00 46. 25 C

ATOM 1020 OG SER A 490 -28. 835 1. 794 4. 864 1. 00 46. 28 O

ATOM 1021 N GLY A 491 -26. 724 3. 824 5. 724 1. 00 45. 96 N

-1 18-

«10691216 vl

ATOM 1022 CA GLY ^■ A 491 -26;.O28 4.897 5.024 1.00 ^■ 45.83 C

ATOM 1023 C GLY ^' A 491 -25 ■.039 5 .661 5 .881 1 .00 45 .76 C

ATOM 1024 O GLY ^' A 491 -24 .342 6 .543 5 .385 1 .00 45 .71 O

ATOM 1025 N ASP A 492 -24 .984 5 .319 7 .167 1 .00 45 .91 N

ATOM 1026 CA ASP A 492 -24 .099 5 .974 8 .133 1 .00 46 .10 C

ATOM 1027 C ASP A 492 -22 .631 5 .945 7 .696 1 .00 46 .08 C

ATOM 1028 O ASP A 492 -22 .086 4 .867 7 .416 1 .00 46 .12 O

ATOM 1029 CB ASP A 492 -24 .236 5 .307 9 .502 1 .00 46 .18 C

ATOM 1030 CG ASP A 492 -23 .642 6 .137 10 .632 1 .00 46 .97 C

ATOM 1031 ODl ASP A 492 -24 .371 6 .361 11 .626 1 .00 47 .76 O

ATOM 1032 OD2 ASP A 492 -22 .457 6 .545 10 .551 1 .00 47 .36 O

ATOM 1033 N PRO A 493 -21 .987 7 .132 7 .647 1 .00 45 .98 N

ATOM 1034 CA PRO A 493 -20 .567 7 .277 7 .299 1 .00 45 .83 C

ATOM 1035 C PRO A 493 -19 .630 6 .343 8 .078 1 .00 45 .65 C

ATOM 1036 O PRO A 493 -18 .676 5 .820 7 .495 1 .00 45 .59 O

ATOM 1037 CB PRO A 493 -20 .262 8 .749 7 .634 1 .00 45 .72 C

ATOM 1038 CG PRO A 493 -21 .457 9 .257 8 .393 1 .00 45 .73 C

ATOM 1039 CD PRO A 493 -22 .608 8 .441 7 .918 1 .00 46 .03 C

ATOM 1040 N ASN A 494 -19 .905 6 .136 9 .369 1 .00 45 .38 N

ATOM 1041 CA ASN A 494 -19 .068 5 .286 10 .213 1 .00 45 .08 C

ATOM 1042 C ASN A 494 -19 .411 3 .817 10 .044 1 .00 45 .20 C

ATOM 1043 O ASN A 494 -20 .564 3 .417 10 .234 1 .00 45 .61 O

ATOM 1044 CB ASN A 494 -19 .187 5 .689 11 .684 1 .00 44 .96 C

ATOM 1045 CG ASN A 494 -18 .117 5 .048 12 .557 1 .00 44 .56 C

ATOM 1046 ODl ASN A 494 -17 .920 3 .835 12 .534 1 .00 44 .75 O

ATOM 1047 ND2 ASN A 494 -17 .428 5 .864 13 .337 1 .00 44 .29 N

ATOM 1048 N TYR A 495 -18 .403 3 .013 9 .711 1 .00 44 .98 N

ATOM 1049 CA TYR A 495 -18 .603 1 .583 9 .457 1 .00 45 .04 C

ATOM 1050 C TYR A 495 -19 .063 0 .789 10 .690 1 .00 45 .11 C

ATOM 1051 O TYR A 495 -19 .708 -0. .255 10 .553 1, .00 44. .99 O

ATOM 1052 CB TYR A 495 -17 .347 0 .953 8 .828 1, .00 45. .02 C

ATOM 1053 CG TYR A 495 -16 .300 0, .472 9. .817 1. .00 44. .94 C

ATOM 1054 CDl TYR A 495 -15 .742 1. .342 10 , .757 1. .00 45. , 07 C

ATOM 1055 CD2 TYR A 495 -15. .863 -0. .853 9. .806 1. .00 44. .75 C

ATOM 1056 CEl TYR A 495 -14. ,786 0. ,906 11. .663 1. 00 45. 18 C

ATOM 1057 CE2 TYR A 495 -14. , 902 -1. 301 10. 711 1. 00 44. 87 C

ATOM 1058 CZ TYR A 495 -14. .363 -0. 410 11. 630 1. 00 44. 92 C

ATOM 1059 OH TYR A 495 -13. 412 -0. 826 12. 528 1. 00 44. 90 O

ATOM 1060 N LEU A 496 -18. 729 1. 277 11. 885 1. 00 45. 12 N

ATOM 1061 CA LEU A 496 -19. 176 0. 628 13. 114 1. 00 45. 34 C

ATOM 1062 C LEU A 496 -20. 694 0. 676 13. 213 1. 00 45. 45 C

ATOM 1063 O LEU A 496 -21. 309 -0. 202 13. 817 1. 00 45. 52 O

ATOM 1064 CB LEU A 496 -18. 555 1. 269 14. 357 1. 00 45. 35 C

ATOM 1065 CG LEU A 496 -17. 045 1. 136 14. 596 1. 00 45. 37 C

ATOM 1066 CDl LEU A 496 -16. 593 2. 111 15. 690 1. 00 44. 01 C

ATOM 1067 CD2 LEU A 496 -16. 640 -0. 302 14. 934 1. 00 44. 67 C

ATOM 1068 N HIS A 497 -21. 288 1. 700 12. 604 1. 00 45. 35 N

ATOM 1069 CA HIS A 497 -22. 740 1. 852 12. 594 1. 00 45. 27 C

ATOM 1070 C HIS A 497 -23. 394 1. 067 11. 461 1. 00 44. 81 C

ATOM 1071 O HIS A 497 -24. 407 0. 405 11. 655 1. 00 44. 65 O

ATOM 1072 CB HIS A 497 -23. 115 3. 331 12. 510 1. 00 45. 45 C

ATOM 1073 CG HIS A 497 -22. 762 4. 110 13. 736 1. 00 45. 56 C

ATOM 1074 NDl HIS A 497 -22. 667 5. 483 13. 741 1. 00 45. 77 N

ATOM 1075 CD2 HIS A 497 -22. 479 3. 708 14. 998 1. 00 45. 90 C

ATOM 1076 CEl HIS A 497 -22. 340 5. 895 14. 953 1. 00 46. 39 C

ATOM 1077 NE2 HIS A 497 -22. 223 4. 838 15. 736 1. 00 46. 20 N

ATOM 1078 N ARG . A 498 -22. 797 1. 161 10. 279 1. 00 44. 65 N

-1 19-

# 10691216 v l

ATOM 1079 CA ARG A 498 -23.219 0.413 9.098 1.00 44.07 C

ATOM 1080 C ARG A 498 -23 .357 ~ 1 .084 9 .431 1 .00 44 .00 C

ATOM 1081 O ARG A 498 -24 .295 -1 .743 8 .981 1 .00 43 .98 O

ATOM 1082 CB ARG A 498 -22 .211 0 .655 7 .966 1 .00 43 .79 C

ATOM 1083 CG ARG A 498 -22 .825 0 .811 6 .589 1 .00 43 .41 C

ATOM 1084 CD ARG A 498 -22 .203 1 .962 5 .768 1 .00 41 .35 C

ATOM 1085 NE ARG A 498 -20 .823 1 .704 5 .369 1 .00 39 .95 N

ATOM 1086 CZ ARG A 498 -19 .766 2 .381 5 .816 1 .00 39 .80 C

ATOM 1087 NHl ARG A 498 -19 .912 3 .385 6 .675 1 .00 39 .45 N

ATOM 1088 NH2 ARG A 498 -18 .553 2 .053 5 .397 1 .00 39 .61 N

ATOM 1089 N MET A 499 -22 .438 -1 .600 10 .250 1 .00 43 .81 N

ATOM 1090 CA MET A 499 -22 .478 _ 2 .001 10 .689 1 .00 43 .54 C

ATOM 1091 C MET A 499 -23 .583 -3 .286 11 .718 1 .00 43 .40 C

ATOM 1092 O MET A 499 -24 .125 -4 .387 11 .743 1 .00 43 .39 O

ATOM 1093 CB MET A 499 -21 .117 -3 .452 11 .231 1 .00 43 .46 C

ATOM 1094 CG MET A 499 -20 .026 -3 .591 10 .170 1 .00 43 .32 C

ATOM 1095 SD MET A 499 -18 .479 -4 .274 10 .812 1 .00 43 .29 S

ATOM 1096 CE MET A 499 -18 .095 _ ^ .127 12 .128 1 .00 42 .88 C

ATOM 1097 N THR A 500 -23 .908 -2 .296 12 .553 1 .00 43 .06 N

ATOM 1098 CA THR A 500 -25 .012 -2 .402 13 .509 1 .00 42 .68 C

ATOM 1099 C THR A 500 -26 .318 -2 .703 12 .774 1 .00 42 .90 C

ATOM 1100 O THR A 500 -27 .148 -3 .482 13 .259 1 .00 43 .15 O

ATOM 1101 CB THR A 500 -25 .176 -1 .114 14 .343 1 .00 42 .49 C

ATOM 1102 OGl THR A 500 -23 .916 -0 .740 14 .907 1 .00 42 .51 O

ATOM 1103 CG2 THR A 500 -26 .163 _ 2_ .318 15 .468 1 .00 42 .28 C

ATOM 1104 N THR A 501 -26 .491 -2 .091 11 .602 1 .00 42 .62 N

ATOM 1105 CA THR A 501 -27 .635 -2 .379 10 .743 1 .00 42 .50 C

ATOM 1106 C THR A 501 -27 .711 -3 .873 10 .433 1 .00 42 .31 C

ATOM 1107 O THR A 501 -28 .779 -4. .477 10. .510 1 .00 42 .31 O

ATOM 1108 CB THR A 501 -27. .573 -1. .557 9. .433 1 .00 42 .59 C

ATOM 1109 OGl THR A 501 -27. .935 -0. .202 9. .712 1. .00 42. .88 O

ATOM 1110 CG2 THR A 501 -28. .524 -2. .114 8. , 366 1, .00 42. .42 C

ATOM 1111 N LEU A 502 -26. .566 -4. .459 10. ,101 1. .00 42. .16 N

ATOM 1112 CA LEU A 502 -26. .501 -5. .856 9. .710 1. .00 42. .02 C

ATOM 1113 C LEU A 502 -26. 700 -6. 786 10. 893 1. .00 42. 03 C

ATOM 1114 O LEU A 502 -27. 182 -7. 902 10. 729 1. .00 41. 99 O

ATOM 1115 CB LEU A 502 -25. 182 -6. 150 8. 995 1. 00 42. 05 C

ATOM 1116 CG LEU A 502 -25. 093 616 7. 555 1. 00 42. 18 C

ATOM 1117 CDl LEU A 502 -23. 654 -5. 653 7. 026 1. 00 42. 01 C

ATOM 1118 CD2 LEU A 502 -26. 035 -6. 373 6. 617 1. 00 41. 55 C

ATOM 1119 N PHE A 503 -26. 349 -6. 313 12. 086 1. 00 42. 07 N

ATOM 1120 CA PHE A 503 -26. 538 -7. 092 13. 302 1. 00 42. 17 C

ATOM 1121 C PHE A 503 -28. 014 -7. 089 13. 708 1. 00 42. 47 C

ATOM 1122 O PHE A 503 -28. 524 -8. 077 14. 259 1. 00 42. 39 O

ATOM 1123 CB PHE A 503 -25. 650 -6. 577 14. 448 1. 00 41. 94 C

ATOM 1124 CG PHE A 503 -24. 169 -6. 580 14. 137 1. 00 41. 53 C

ATOM 1125 CDl PHE A 503 -23. 603 -7. 559 13. 316 1. 00 40. 46 C

ATOM 1126 CD2 PHE A 503 -23. 333 _ ^ 604 14. 685 1. 00 42. 42 C

ATOM 1127 CEl PHE A 503 -22. 237 -7. 566 13. 029 1. 00 39. 85 C

ATOM 1128 CE2 PHE A 503 -21. 953 — S 596 14. 407 1. 00 41. 90 C

ATOM 1129 CZ PHE A 503 -21. 408 -6. 587 13. 578 1. 00 41. 52 C

ATOM 1130 N CYS A 504 -28. 695 -5. 985 13. 415 1. 00 42. 70 N

ATOM 1131 CA CYS A 504 -30. 123 -5. 864 13. 694 1. 00 43. 19 C

ATOM 1132 C CYS A 504 -30. 952 -6. 731 12. 766 1. 00 43. 28 C

ATOM 1133 O CYS . A 504 -31. 882 -7. 410 13. 210 1. 00 43. 22 O

ATOM 1134 CB CYS . A 504 -30. 567 -4. 416 13. 588 1. 00 43. 15 C

ATOM 1135 SG CYS . A 504 -29. 893 -3. 393 14. 878 1. 00 44. 32 S

-120- tf lO691216 vl

ATOM 1136 N ILE; A. 505 -30.602 -6.705 11.481 1.00 43.52 N

ATOM 1137 CA ILE A 505 -31 .237 -7 .554 10 .479 1 .00 43 .68 C

ATOM 1138 C ILE A 505 -31 .012 .034 10 .819 1 .00 43 .93 C

ATOM 1139 O ILE A 505 -31 .932 -9 .846 10 .676 1 .00 44 .00 O

ATOM 1140 CB ILE A 505 -30 .757 .201 9 .052 1 .00 43 .79 C

ATOM 1141 CGl ILE A 505 -31 .253 -5 .802 8 .671 1 .00 43 .79 C

ATOM 1142 CG2 ILE A 505 -31 .235 -8 .243 8 .031 1 .00 43 .58 C

ATOM 1143 CDl ILE A 505 -30 .497 -5 .151 7 .532 1 .00 43 .53 C

ATOM 1144 N ASN A 506 -29 .809 -9 .371 11 .294 1 .00 44 .02 N

ATOM 1145 CA ASN A 506 -29 .538 -10 .715 11 .830 1 .00 44 .27 C

ATOM 1146 C ASN A 506 -30 .514 -11 .118 12 .944 1 .00 44 .44 C

ATOM 1147 O ASN A 506 -31 .040 -12 .236 12 .946 1 .00 44 .68 O

ATOM 1148 CB ASN A 506 -28 .106 -10 .834 12 .362 1 .00 44 .31 C

ATOM 1149 CG ASN A 506 -27 .041 -10 .709 11 .274 1 .00 44 .29 C

ATOM 1150 ODl ASN A 506 -25 .879 -10 .440 11 .578 1 .00 44 .97 O

ATOM 1151 ND2 ASN A 506 -27 .426 -10 .896 10 .017 1 .00 43 .39 N

ATOM 1152 N VAL A 507 -30 .746 -10 .199 13 .881 1 .00 44 .29 N

ATOM 1153 CA VAL A 507 -31 .640 -10 .428 15 .012 1 .00 44 .11 C

ATOM 1154 C VAL A 507 -33 .115 -10 .392 14 .594 1 .00 44 .31 C

ATOM 1155 O VAL A 507 -33 .911 -11 .236 15 .029 1 .00 44 .32 O

ATOM 1156 CB VAL A 507 -31 .348 .410 16 .154 1 .00 44 .06 C

ATOM 1157 CGl VAL A 507 -32 .603 -9 .016 16 .902 1 .00 43 .85 C

ATOM 1158 CG2 VAL A 507 -30 .303 -9 .960 17 .104 1 .00 43 .66 C

ATOM 1159 N LEU A 508 -33 .471 -9 .430 13 .743 1 .00 44 .32 N

ATOM 1160 CA LEU A 508 -34 .874 -9 .220 13 .375 1 .00 44 .44 C

ATOM 1161 C LEU A 508 -35 .445 -10 .315 12 .474 1 .00 44 .59 C

ATOM 1162 O LEU A 508 -36 .604 -10 .691 12 .612 1. .00 44 .54 O

ATOM 1163 CB LEU A 508 -35 .082 -7 .835 12 .764 1. .00 44 .18 C

ATOM 1164 CG LEU A 508 -34 .891 -6 .689 13 .763 1. .00 44 .03 C

ATOM 1165 CDl LEU A 508 -34 .709 -5 .364 13 .042 1, .00 44 .08 C

ATOM 1166 CD2 LEU A 508 -36 .030 -6. .601 14. .775 1. .00 43 .61 C

ATOM 1167 N SER A 509 -34. .616 -10. .833 11. .574 1. .00 44. .95 N

ATOM 1168 CA SER A 509 -34 , .992 -11. , 943 10. .699 1. 00 45. .31 C

ATOM 1169 C SER A 509 -35. .551 -13. .139 11. .462 1. 00 45. .43 C

ATOM 1170 O SER A 509 -36. 315 -13. 930 10. 906 1. 00 45. .45 O

ATOM 1171 CB SER A 509 -33. 780 -12. 407 9. 891 1. 00 45. .44 C

ATOM 1172 OG SER A 509 -32. 831 -13. 061 10. 726 1. 00 45. 72 O

ATOM 1173 N GLU A 510 -35. 156 -13. 272 12. 727 1. 00 45. 60 N

ATOM 1174 CA GLU A 510 -35. 560 -14. 410 13. 549 1. 00 45. 89 C

ATOM 1175 C GLU A 510 -37. 022 -14. 340 13. 964 1. 00 45. 57 C

ATOM 1176 O GLU A 510 -37. 670 -15. 364 14. 113 1. 00 45. 63 O

ATOM 1177 CB GLU A 510 -34. 691 -14. 507 14. 802 1. 00 45. 94 C

ATOM 1178 CG GLU A 510 -33. 227 -14. 840 14. 555 1. 00 46. 44 C

ATOM 1179 CD GLU A 510 -32. 444 -14. 959 15. 851 1. 00 46. 70 C

ATOM 1180 OEl GLU A 510 -33. 007 -15. 483 16. 838 1. 00 47. 97 O

ATOM 1181 OE2 GLU A 510 -31. 268 -14. 529 15. 888 1. 00 47. 87 O

ATOM 1182 N VAL A 511 -37. 537 -13. 131 14. 153 1. 00 45. 48 N

ATOM 1183 CA VAL A 511 -38. 882 -12. 962 14. 683 1. 00 45. 46 C

ATOM 1184 C VAL A 511 -39. 813 -12. 190 13. 752 1. 00 45. 62 C

ATOM 1185 O VAL A 511 -40. 943 -11. 884 14. 128 1. 00 45. 77 O

ATOM 1186 CB VAL A 511 -38. 875 -12. 321 16. 103 1. 00 45. 42 C

ATOM 1187 CGl VAL A 511 -38. 281 -13. 280 17. 116 1. 00 45. 25 C

ATOM 1188 CG2 VAL A 511 -38. 117 -11. 001 16. 114 1. 00 45. 51 C

ATOM 1189 N CYS A 512 -39. 352 -11. 893 12. 540 1. 00 45. 73 N

ATOM 1190 CA CYS . A 512 -40. 188 -11. 188 11. 559 1. 00 45. 90 C

ATOM 1191 C CYS . A 512 -40. 849 -12. 114 10. 535 1. 00 45. 98 C

ATOM 1192 O CYS . A 512 -41. 870 -11. 758 9. 942 1. 00 46. 04 O

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#10691216 v l

ATOM 1193 CB CYS A 512 -39.396 -10.091 10.844 1.00 46.02 C

ATOM 1194 SG CYS A 512 -39 .016 -8 .648 11 .869 1.00 46 .07 S

ATOM 1195 N GLY A 513 -40 .268 -13 .294 10 .333 1.00 46 .01 N

ATOM 1196 CA GLY A 513 -40 .812 -14 .270 9 .387 1.00 46 .05 C

ATOM 1197 C GLY A 513 -40 .345 -14 .054 7 .957 1.00 46 .08 C

ATOM 1198 O GLY A 513 -39 .585 -13 .125 7 .675 1.00 45 .97 O

ATOM 1199 N GLN A 514 -40 .820 -14 .910 7 .055 1.00 46 .12 N

ATOM 1200 CA GLN A 514 -40 .382 -14 .917 5 .658 1.00 46 .18 C

ATOM 1201 C GLN A 514 -40 .723 -13 .637 4 .879 1.00 46 .22 C

ATOM 1202 O GLN A 514 -39 .837 -13 .005 4 .298 1.00 46 .12 O

ATOM 1203 CB GLN A 514 -40 .962 -16 .132 4 .936 1.00 46 .14 C

ATOM 1204 CG GLN A 514 -40 .250 -16 .466 3 .646 1.00 46 .26 C

ATOM 1205 CD GLN A 514 -41 .070 -17 .355 2 .750 1.00 46 .22 C

ATOM 1206 OEl GLN A 514 -42 .097 -16 .940 2 .213 1.00 46 .27 O

ATOM 1207 NE2 GLN A 514 -40 .617 -18 .589 2 .572 1.00 46 .35 N

ATOM 1208 N ASP A 515 -42 .003 -13 .270 4 .873 1.00 46 .30 N

ATOM 1209 CA ASP A 515 -42 .509 -12 .173 4 .042 1.00 46 .36 C

ATOM 1210 C ASP A 515 -41 .885 -10 .807 4 .362 1.00 46 .28 C

ATOM 1211 O ASP A 515 -41 .437 -10 .105 3 .455 1.00 46 .24 O

ATOM 1212 CB ASP A 515 -44 .042 -12 .106 4 .130 1.00 46 .40 C

ATOM 1213 CG ASP A 515 -44 .679 -11 .491 2 .891 1.00 46 .58 C

ATOM 1214 ODl ASP A 515 -44 .455 -10 .291 2 .619 1.00 46 .93 O

ATOM 1215 OD2 ASP A 515 -45 .421 -12 .211 2 .191 1.00 46 .93 O

ATOM 1216 N ILE A 516 -41 .853 -10 .442 5 .643 1.00 46 .29 N

ATOM 1217 CA ILE A 516 -41 .374 -9 .118 6 .071 1.00 46 .28 C

ATOM 1218 C ILE A 516 -39 .862 -8 .936 5 .881 1.00 46 .30 C

ATOM 1219 O ILE A 516 -39 .406 -7 .859 5 .481 1.00 46 .35 O

ATOM 1220 CB ILE A 516 -41 .801 -8 .796 7 .533 1.00 46 .32 C

ATOM 1221 CGl ILE A 516 -43. .326 -8 .640 7. .613 1.00 46. .09 C

ATOM 1222 CG2 ILE A 516 -41. .078 -7 .538 8 , .060 1.00 46. .34 C

ATOM 1223 CDl ILE A 516 -43. .875 .377 9. ,005 1.00 46. .13 C

ATOM 1224 N THR A 517 -39. .102 -9 .994 6. ,166 1.00 46. .31 N

ATOM 1225 CA THR A 517 -37. .647 -10. .012 5. , 983 1.00 46. ,30 C

ATOM 1226 C THR A 517 -37. .260 -9. .825 4. .513 1.00 46. ,42 C

ATOM 1227 O THR A 517 -36. 402 -8. ,999 4. 189 1.00 46. 53 O

ATOM 1228 CB THR A 517 -37. 037 -11. .330 6. 524 1.00 46. 30 C

ATOM 1229 OGl THR A 517 -37. 206 -11. 389 7. 946 1.00 46. 02 O

ATOM 1230 CG2 THR A 517 -35. 551 -11. 442 6. 187 1.00 46. 52 C

ATOM 1231 N THR A 518 -37. 904 -10. 597 3. 638 1.00 46. 44 N

ATOM 1232 CA THR A 518 -37. 690 -10. 511 2. 199 1.00 46. 36 C

ATOM 1233 C THR A 518 -37. 985 -9. 097 1. 703 1.00 46. 46 C

ATOM 1234 O THR A 518 -37. 109 -8. 442 1. 143 1.00 46. 52 O

ATOM 1235 CB THR A 518 -38. 570 -11. 533 1. 433 1.00 46. 33 C

ATOM 1236 OGl THR A 518 -38. 439 -12. 830 2. 027 1.00 46. 10 O

ATOM 1237 CG2 THR A 518 -38. 161 -11. 613 -0. 027 1.00 46. 28 C

ATOM 1238 N LYS A 519 -39. 215 -8. 638 1. 930 1.00 46. 62 N

ATOM 1239 CA LYS A 519 -39. 675 - 7 318 1. 486 1.00 46. 75 C

ATOM 1240 C LYS A 519 -38. 768 -6. 165 1. 928 1.00 46. 79 C

ATOM 1241 O LYS A 519 -38. 148 -5. 502 1. 095 1.00 46. 72 O

ATOM 1242 CB LYS A 519 -41. 104 -7. 061 1. 986 1.00 46. 69 C

ATOM 1243 CG LYS A 519 -42. 196 _ ₇ 033 0. 922 1.00 46. 77 C

ATOM 1244 CD LYS A 519 -43. 581 -7. 174 1. 584 1.00 46. 83 C

ATOM 1245 CE LYS A 519 -44. 644 -6. 269 0. 962 1.00 46. 37 C

ATOM 1246 NZ LYS . A 519 -44. 959 -6. 623 -0. 445 1.00 46. 22 N

ATOM 1247 N HIS . A 520 -38. 679 - 5 950 3. 239 1.00 46. 83 N

ATOM 1248 CA HIS . A 520 -38. 189 -4. 681 3. 777 1.00 46. 89 C

ATOM 1249 C HIS . A 520 -36. 776 -4. 719 4. 361 1.00 46. 70 C

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# 10691216 vl

ATOM 1250 O HIS A 520 -36.234 -3.682 4.762 1.00 46.71 O

ATOM 1251 CB HIS A 520 -39 .191 -4 .130 4 .801 1.00 46 .98 C

ATOM 1252 CG HIS A 520 -40 .603 -4 .101 4 .300 1.00 47 .87 C

ATOM 1253 NDl HIS A 520 -41 .022 -3 .245 3 .302 1.00 48 .63 N

ATOM 1254 CD2 HIS A 520 -41 .688 -4 .835 4 .645 1.00 48 .59 C

ATOM 1255 CEl HIS A 520 -42 .304 -3 .448 3 .058 1.00 48 .64 C

ATOM 1256 NE2 HIS A 520 -42 .732 -4 .408 3 .859 1.00 49 .16 N

ATOM 1257 N MET A 521 -36 .173 -5 .903 4 .400 1.00 46 .39 N

ATOM 1258 CA MET A 521 -34 .835 -6 .029 4 .966 1.00 46 .03 C

ATOM 1259 C MET A 521 -33 .799 -6 .516 3 .959 1.00 46 .02 C

ATOM 1260 O MET A 521 -32 .745 -5 .898 3 .817 1.00 46 .24 O

ATOM 1261 CB MET A 521 -34 .847 -6 .898 6 .226 1.00 45 .99 C

ATOM 1262 CG MET A 521 -35 .861 -6 .438 7 .264 1.00 45 .73 C

ATOM 1263 SD MET A 521 -35 .460 -6 .883 8 .959 1.00 45 .73 S

ATOM 1264 CE MET A 521 -35 .560 -8 .669 8 .915 1.00 45 .51 C

ATOM 1265 N LEU A 522 -34 .104 -7 .600 3 .249 1.00 45 .85 N

ATOM 1266 CA LEU A 522 -33 .152 -8 .198 2 .301 1.00 45 .76 C

ATOM 1267 C LEU A 522 -32 .518 -7 .224 1 .288 1.00 45 .61 C

ATOM 1268 O LEU A 522 -31 .302 -7 .273 1 .095 1.00 45 .59 O

ATOM 1269 CB LEU A 522 -33 .758 -9 .412 1 .578 1.00 45 .80 C

ATOM 1270 CG LEU A 522 -32 .817 -10 .180 0 .641 1.00 45 .86 C

ATOM 1271 CDl LEU A 522 -31 .852 -11 .083 1 .409 1.00 45 .84 C

ATOM 1272 CD2 LEU A 522 -33 .612 -10 .980 -0 .358 1.00 45 .74 C

ATOM 1273 N PRO A 523 -33 .326 -6 .351 0 .637 1.00 45 .49 N

ATOM 1274 CA PRO A 523 -32 .736 -5 .431 -0 .347 1.00 45 .39 C

ATOM 1275 C PRO A 523 -31 .592 -4 .603 0 .229 1.00 45 .28 C

ATOM 1276 O PRO A 523 -30 .577 -4 .403 -0 .444 1.00 45 .34 O

ATOM 1277 CB PRO A 523 -33 .907 -4 .517 -0 .723 1.00 45 .38 C

ATOM 1278 CG PRO A 523 -35 .109 -5. .330 -0 .469 1.00 45 .53 C

ATOM 1279 CD PRO A 523 -34 , .786 -6. .161 0 .736 1.00 45 .53 C

ATOM 1280 N THR A 524 -31. .758 -4. .143 1 .468 1.00 45 .05 N

ATOM 1281 CA THR A 524 -30. .743 -3. .344 2 .152 1.00 44. .69 C

ATOM 1282 C THR A 524 -29. .446 -4. .139 2 .346 1.00 44. .54 C

ATOM 1283 O THR A 524 -28. .356 -3. .613 2. .109 1.00 44. .58 O

ATOM 1284 CB THR A 524 -31. 285 -2. 783 3. .489 1.00 44. 63 C

ATOM 1285 OGl THR A 524 -32. 363 -1. 877 3. .215 1.00 44. 47 O

ATOM 1286 CG2 THR A 524 -30. 207 -2. 040 4. ,256 1.00 44. 46 C

ATOM 1287 N VAL A 525 -29. 574 -5. 404 2. 746 1.00 44. 17 N

ATOM 1288 CA VAL A 525 -28. 424 -6. 301 2. 894 1.00 43. 85 C

ATOM 1289 C VAL A 525 -27. 692 -6. 503 1. 556 1.00 43. 90 C

ATOM 1290 O VAL A 525 -26. 471 -6. 334 1. 476 1.00 43. 92 O

ATOM 1291 CB VAL A 525 -28. 837 -7. 676 3. 477 1.00 43. 68 C

ATOM 1292 CGl VAL A 525 -27. 611 -8. 520 3. 816 1.00 43. 08 C

ATOM 1293 CG2 VAL A 525 -29. 706 -7. 493 4. 700 1.00 43. 54 C

ATOM 1294 N LEU A 526 -28. 444 -6. 848 0. 513 1.00 43. 76 N

ATOM 1295 CA LEU A 526 -27. 868 -7. 133 -0. 803 1.00 43. 70 C

ATOM 1296 C LEU A 526 -27. 231 -5. 903 -1. 446 1.00 43. 64 C

ATOM 1297 O LEU A 526 -26. 269 -6. 024 -2. 205 1.00 43. 70 O

ATOM 1298 CB LEU A 526 -28. 914 -7. 747 -1. 745 1.00 43. 60 C

ATOM 1299 CG LEU A 526 -29. 556 -9. 099 -1. 396 1.00 43. 64 C

ATOM 1300 CDl LEU A 526 -30. 588 -9. 467 -2. 454 1.00 43. 84 C

ATOM 1301 CD2 LEU A 526 -28. 533 -10. 224 -1. 244 1.00 43. 39 C

ATOM 1302 N ARG A 527 -27. 771 -4. 726 -1. 132 1.00 43. 52 N

ATOM 1303 CA ARG A 527 -27. 219 -3. 455 -1. 605 1.00 43. 44 C

ATOM 1304 C ARG . A 527 -25. 904 -3. 100 -0. 887 1.00 43. 07 C

ATOM 1305 O ARG . A 527 -25. 098 -2. 324 - 1 402 1.00 43. 13 O

ATOM 1306 CB ARG - A 527 -28. 260 -2. 338 -1. 450 1.00 43. 41 C

-123-

»10691216 v l

ATOM 1307 CG ARG A. 527 -27.865 -0.980 -2.029 1.00 43.78 C

ATOM 1308 CD ARG A . 527 -28 .840 0 .126 -1 .617 1.00 44 .07 C

ATOM 1309 NE ARG A 527 -29 .235 0 .035 -0 .206 1.00 45 .68 N

ATOM 1310 CZ ARG A 527 -28 .538 0 .516 0 .824 1.00 45 .73 C

ATOM 1311 NHl . ARG A 527 -27 .380 1 .146 0 .635 1.00 45 .76 N

ATOM 1312 NH2 ARG A 527 -29 .008 0 .364 2 .057 1.00 45 .28 N

ATOM 1313 N MET A 528 -25 .682 -3 .682 0 .289 1.00 42 .69 N

ATOM 1314 CA MET A 528 -24 .456 -3 .436 1 .055 1.00 42 .18 C

ATOM 1315 C MET A 528 -23 .285 -4 .319 0 .626 1.00 42 .04 C

ATOM 1316 O MET A 528 -22 .176 -4 .169 1 .129 1.00 41 .91 O

ATOM 1317 CB MET A 528 -24 .717 -3 .599 2 .548 1.00 42 .22 C

ATOM 1318 CG MET A 528 -25 .661 -2 .562 3 .107 1.00 42 .28 C

ATOM 1319 SD MET A 528 -26 .120 -2 .905 4 .804 1.00 41 .81 S

ATOM 1320 CE MET A 528 -24 .812 -2 .068 5 .692 1.00 40 .79 C

ATOM 1321 N ALA A 529 -23 .534 -5 .228 -0 .314 1.00 41 .98 N

ATOM 1322 CA ALA A 529 -22 .477 -6 .065 -0 .888 1.00 41 .82 C

ATOM 1323 C ALA A 529 -21 .374 -5 .239 -1 .575 1.00 41 .65 C

ATOM 1324 O ALA A 529 -20 .241 -5 .703 -1 .714 1.00 41 .33 O

ATOM 1325 CB ALA A 529 -23 .074 -7 .081 -1 .856 1.00 41 .78 C

ATOM 1326 N GLY A 530 -21 .719 -4 .022 -1 .993 1.00 41 .58 N

ATOM 1327 CA GLY A 530 -20 .760 -3 .095 -2 .581 1.00 41 .79 C

ATOM 1328 C GLY A 530 -20 .374 -1 .966 -1 .641 1.00 42 .07 C

ATOM 1329 O GLY A 530 -20 .378 -0 .800 -2 .029 1.00 42 .13 O

ATOM 1330 N ASP A 531 -20 .052 -2 .311 -0 .396 1.00 42 .27 N

ATOM 1331 CA ASP A 531 -19 .581 -1 .332 0 .580 1.00 42 .37 C

ATOM 1332 C ASP A 531 -18 .075 -1 .145 0 .426 1.00 42 .35 C

ATOM 1333 O ASP A 531 -17 .348 -2 .124 0 .243 1.00 42 .38 O

ATOM 1334 CB ASP A 531 -19 .914 -1 .793 2 .001 1.00 42. .53 C

ATOM 1335 CG ASP A 531 -19 .674 -0 .711 3 .044 1.00 42. .71 C

ATOM 1336 ODl ASP A 531 -18 .506 -0 .500 3 .449 1.00 41. .64 O

ATOM 1337 OD2 ASP A 531 -20. .669 -0. .089 3. .474 1.00 43. .53 O

ATOM 1338 N PRO A 532 -17. .595 0, .109 0. .508 1.00 42. 40 N

ATOM 1339 CA PRO A 532 -16. .155 0. .340 0. .323 1.00 42. 60 C

ATOM 1340 C PRO A 532 -15. .282 -0. .315 1. .399 1.00 42. 96 C

ATOM 1341 O PRO A 532 -14. .090 -0. .519 1. .177 1.00 43. 07 O

ATOM 1342 CB PRO A 532 -16. .024 1. 867 0. 371 1.00 42. 34 C

ATOM 1343 CG PRO A 532 -17. 252 2. 344 1. 058 1.00 42. 63 C

ATOM 1344 CD PRO A 532 -18. 335 1. 359 0. 761 1.00 42. 34 C

ATOM 1345 N VAL A 533 -15. 877 -0. 646 2. 540 1.00 43. 42 N

ATOM 1346 CA VAL A 533 -15. 141 -1. 210 3. 659 1.00 43. 94 C

ATOM 1347 C VAL A 533 -15. 372 -2. 717 3. 753 1.00 44. 44 C

ATOM 1348 O VAL A 533 -16. 514 185 3. 804 1.00 44. 63 O

ATOM 1349 CB VAL A 533 -15. 506 -0. 494 4. 969 1.00 43. 95 C

ATOM 1350 CGl VAL A 533 -14. 967 -1. 246 6. 182 1.00 44. 36 C

ATOM 1351 CG2 VAL A 533 -14. 974 0. 925 4. 942 1.00 44. 13 C

ATOM 1352 N ALA A 534 -14. 268 -3. 462 3. 771 1.00 44. 82 N

ATOM 1353 CA ALA A 534 -14. 284 -4. 922 3. 745 1.00 44. 97 C

ATOM 1354 C ALA A 534 -14. 994 -5. 539 4. 948 1.00 45. 37 C

ATOM 1355 O ALA A 534 -15. 621 -6. 602 4. 817 1.00 45. 51 O

ATOM 1356 CB ALA A 534 -12. 866 -5. 464 3. 623 1.00 44. 83 C

ATOM 1357 N ASN A 535 -14. 908 -4. 878 6. 106 1.00 45. 44 N

ATOM 1358 CA ASN A 535 -15. 586 -5. 363 7. 316 1.00 45. 51 C

ATOM 1359 C ASN A 535 -17. 099 -5. 402 7. 163 1.00 45. 59 C

ATOM 1360 O ASN A 535 -17. 764 -6. 279 7. 718 1.00 45. 65 O

ATOM 1361 CB ASN A 535 -15. 203 -4. 538 8. 543 1.00 45. 56 C

ATOM 1362 CG ASN . A 535 -13. 704 -4. 454 8. 741 1.00 45. 50 C

ATOM 1363 ODl ASN . A 535 -13. 026 -3. 689 8. 057 1.00 44. 39 O

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ATOM 1364 ND2; ASN . 535 -13.179 -5.238 9'.684 1.00 44.8S N

ATOM 1365 N VAL , A . 536 -17 .636 -4 .453 6 .401 1 .00 45 .63 N

ATOM 1366 CA VAL A 536 -19 .059 -4 .447 6 .075 1 .00 45 .77 C

ATOM 1367 C VAL A 536 -19 .391 -5 .572 5 .073 1 .00 45 .84 C

ATOM 1368 O VAL A 536 -20 .379 -6 .294 5 .249 1 .00 45 .99 O

ATOM 1369 CB VAL A 536 -19 .525 -3 .055 5 .546 1 .00 45 .82 C

ATOM 1370 CGl VAL A 536 -21 .024 -3 .050 5 .256 1 .00 45 .48 C

ATOM 1371 CG2 VAL A 536 -19 .171 -1 .945 6 .540 1 .00 45 .27 C

ATOM 1372 N ARG A 537 -18 .547 -5 .731 4 .051 1 .00 45 .88 N

ATOM 1373 CA ARG A 537 -18 .753 -6 .738 2 .999 1 .00 45 .78 C

ATOM 1374 C ARG A 537 -18 .808 -8 .183 3 .512 1 .00 46 .37 C

ATOM 1375 O ARG A 537 -19 .628 -8 .969 3 .041 1 .00 46 .59 O

ATOM 1376 CB ARG A 537 -17 .706 -6 .612 1 .881 1 .00 45 .82 C

ATOM 1377 CG ARG A 537 -17 .915 -5 .427 0 .942 1 .00 44 .94 C

ATOM 1378 CD ARG A 537 -17 .147 -5 .568 -0 .386 1 .00 44 .59 C

ATOM 1379 NE ARG A 537 -15 .700 -5 .790 -0 .247 1 .00 41 .53 N

ATOM 1380 CZ ARG A 537 -14 .800 -4 .858 0 .072 1 .00 39 .44 C

ATOM 1381 NHl ARG A 537 -15 .165 -3 .606 0 .320 1 .00 38 .21 N

ATOM 1382 NH2 ARG A 537 -13 .521 -5 .187 0 .162 1 .00 37 .77 N

ATOM 1383 N PHE A 538 -17 .950 -8 .545 4 .466 1 .00 46 .74 N

ATOM 1384 CA PHE A 538 -18 .005 -9 .908 4 .994 1 .00 46 .90 C

ATOM 1385 C PHE A 538 -19 .083 -10 .104 6 .052 1 .00 47 .18 C

ATOM 1386 O PHE A 538 -19 .476 -11 .239 6 .332 1 .00 47 .57 O

ATOM 1387 CB PHE A 538 -16 .633 -10 .464 5 .432 1 .00 46 .88 C

ATOM 1388 CG PHE A 538 -16 .058 -9 .835 6 .674 1 .00 46 .97 C

ATOM 1389 CDl PHE A 538 -16 .670 -9 .999 7 .915 1 .00 46 .44 C

ATOM 1390 CD2 PHE A 538 -14 .858 -9 .122 6 .607 1 .00 47 .38 C

ATOM 1391 CEl PHE A 538 -16 .130 -9 .428 9 .054 1. .00 46. .01 C

ATOM 1392 CE2 PHE A 538 -14 .304 -8 .554 7 .745 1, .00 46. .57 C

ATOM 1393 CZ PHE A 538 -14 .943 -8 .706 8 .969 1. .00 46. .69 C

ATOM 1394 N ASN A 539 -19. .570 -9. .010 6. .634 1. .00 47. , 17 N

ATOM 1395 CA ASN A 539 -20. .765 -9, .106 7. .468 1. .00 47. ,26 C

ATOM 1396 C ASN A 539 -22. .029 -9. .290 6. .620 1. 00 47. 30 C

ATOM 1397 O ASN A 539 -23. .037 -9. .817 7. .105 1. 00 47. 35 O

ATOM 1398 CB ASN A 539 -20. .890 — 7 925 8. 436 1. 00 47. 30 C

ATOM 1399 CG ASN A 539 -20. 267 -8. 220 9. 801 1. 00 47. 54 C

ATOM 1400 ODl ASN A 539 -20. 607 -9. 206 10. 453 1. 00 47. 99 O

ATOM 1401 ND2 ASN A 539 -19. 348 -7. 366 10. 230 1. 00 47. 48 N

ATOM 1402 N VAL A 540 -21. 964 -8. 875 5. 351 1. 00 47. 11 N

ATOM 1403 CA VAL A 540 -23. 043 -9. 150 4. 396 1. 00 46. 93 C

ATOM 1404 C VAL A 540 -23. 146 -10. 656 4. 149 1. 00 46. 86 C

ATOM 1405 O VAL A 540 -24. 227 -11. 233 4. 269 1. 00 46. 70 O

ATOM 1406 CB VAL A 540 -22. 862 -8. 381 3. 067 1. 00 46. 85 C

ATOM 1407 CGl VAL A 540 -23. 814 -8. 897 2. 003 1. 00 46. 51 C

ATOM 1408 CG2 VAL A 540 -23. 076 -6. 898 3. 287 1. 00 47. 01 C

ATOM 1409 N ALA A 541 -22. 014 -11. 282 3. 831 1. 00 46. 81 N

ATOM 1410 CA ALA A 541 -21. 945 -12. 731 3. 645 1. 00 46. 96 C

ATOM 1411 C ALA A 541 -22. 323 -13. 507 4. 915 1. 00 47. 06 C

ATOM 1412 O ALA A 541 -22. 926 -14. 575 4. 837 1. 00 47. 23 O

ATOM 1413 CB ALA A 541 -20. 565 -13. 134 3. 161 1. 00 46. 80 C

ATOM 1414 N LYS A 542 -21. 969 -12. 964 6. 077 1. 00 47. 25 N

ATOM 1415 CA LYS A 542 -22. 348 -13. 557 7. 361 1. 00 47. 33 C

ATOM 1416 C LYS A 542 -23. 847 -13. 421 7. 636 1. 00 47. 27 C

ATOM 1417 O LYS A 542 -24. 450 -14. 313 8. 236 1. 00 47. 36 O

ATOM 1418 CB LYS A 542 -21. 547 -12. 933 8. 506 1. 00 47. 51 C

ATOM 1419 CG LYS . A 542 -20. 137 -13. 478 8. 661 1. 00 47. 72 C

ATOM 1420 CD LYS . A . 542 -19. 401 -12. 750 9. 758 1. 00 48. 53 C

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ATOM 1421 CE LYS A 542 -18.417 -13.679 10.432 1.00 50.17 C

ATOM 1422 NZ LYS A 542 -17 .891 -13 .141 11.725 1.00 51 .67 N

ATOM 1423 N SER A 543 -24 .437 -12 .308 7.196 1.00 47 .06 N

ATOM 1424 CA SER A 543 -25 .874 -12 .075 7.339 1.00 47 .01 C

ATOM 1425 C SER A 543 -26 .714 -13 .065 6.529 1.00 47 .14 C

ATOM 1426 O SER A 543 -27 .598 -13 .732 7.077 1.00 47 .10 O

ATOM 1427 CB SER A 543 -26 .233 -10 .643 6.943 1.00 46 .98 C

ATOM 1428 OG SER A 543 -25 .696 -9 .712 7.858 1.00 46 .96 O

ATOM 1429 N LEU A 544 -26 .431 -13 .158 5.230 1.00 47 .23 N

ATOM 1430 CA LEU A 544 -27 .161 -14 .050 4.329 1.00 47 .37 C

ATOM 1431 C LEU A 544 -27 .114 -15 .499 4.805 1.00 47 .62 C

ATOM 1432 O LEU A 544 -28 .107 -16 .218 4.707 1.00 47 .72 O

ATOM 1433 CB LEU A 544 -26 .641 -13 .932 2.893 1.00 47 .33 C

ATOM 1434 CG LEU A 544 -26 .576 -12 .534 2.261 1.00 47 .08 C

ATOM 1435 CDl LEU A 544 -25 .782 -12 .564 0.956 1.00 46 .48 C

ATOM 1436 CD2 LEU A 544 -27 .965 -11 .939 2.047 1.00 46 .81 C

ATOM 1437 N GLN A 545 -25 .965 -15 .919 5.331 1.00 47 .88 N

ATOM 1438 CA GLN A 545 -25 .844 -17 .226 5.979 1.00 48 .18 C

ATOM 1439 C GLN A 545 -26 .855 -17 .385 7.123 1.00 48 .46 C

ATOM 1440 O GLN A 545 -27 .468 -18 .445 7.283 1.00 48 .45 O

ATOM 1441 CB GLN A 545 -24 .414 -17 .447 6.492 1.00 48 .09 C

ATOM 1442 CG GLN A 545 -24 .190 -18 .804 7.157 1.00 47 .82 C

ATOM 1443 CD GLN A 545 -22 .731 -19 .097 7.449 1.00 48 .02 C

ATOM 1444 OEl GLN A 545 -21 .837 -18 .710 6.693 1.00 47 .82 O

ATOM 1445 NE2 GLN A 545 -22 .483 -19 .798 8.549 1.00 47 .75 N

ATOM 1446 N LYS A 546 -27 .028 -16 .320 7.903 1.00 48 .88 N

ATOM 1447 CA LYS A 546 -27 .911 -16 .341 9.066 1.00 49 .35 C

ATOM 1448 C LYS A 546 -29 .383 -16 .265 8.662 1.00 49 .60 C

ATOM 1449 O LYS A 546 -30 .215 -17 .005 9.196 1.00 49 .70 O

ATOM 1450 CB LYS A 546 -27 .561 -15 .193 10.020 1.00 49. .22 C

ATOM 1451 CG LYS A 546 -28. .341 -15. .174 11.325 1.00 49. .47 C

ATOM 1452 CD LYS A 546 -27. .840 -16. .241 12.297 1.00 50. .23 C

ATOM 1453 CE LYS A 546 -28. .137 -15. .867 13.744 1.00 49. .74 C

ATOM 1454 NZ LYS A 546 -29, .589 -15. .654 13.984 1.00 49. .73 N

ATOM 1455 N ILE A 547 -29. .691 -15. .380 7.715 1.00 49. 73 N

ATOM 1456 CA ILE A 547 -31. .077 -15. 100 7.337 1.00 49. 85 C

ATOM 1457 C ILE A 547 -31. 617 -16. 028 6.232 1.00 50. 26 C

ATOM 1458 O ILE A 547 -32. 828 -16. 237 6.128 1.00 50. 28 O

ATOM 1459 CB ILE A 547 -31. 284 -13. 603 6.976 1.00 49. 76 C

ATOM 1460 CGl ILE A 547 -30. 649 -13. 263 5.624 1.00 49. 54 C

ATOM 1461 CG2 ILE A 547 -30. 722 -12. 714 8.084 1.00 49. 58 C

ATOM 1462 CDl ILE A 547 -31. 108 -11. 946 5.041 1.00 49. 57 C

ATOM 1463 N GLY A 548 -30. 707 -16. 587 5.433 1.00 50. 64 N

ATOM 1464 CA GLY A 548 -31. 039 -17. 492 4.324 1.00 50. 95 C

ATOM 1465 C GLY A 548 -32. 139 -18. 518 4.560 1.00 51. 20 C

ATOM 1466 O GLY A 548 -33. 052 -18. 624 3.737 1.00 51. 18 O

ATOM 1467 N PRO A 549 -32. 044 -19. 300 5.664 1.00 51. 48 N

ATOM 1468 CA PRO A 549 -33. 087 -20. 263 6.076 1.00 51. 69 C

ATOM 1469 C PRO A 549 -34. 502 -19. 690 6.194 1.00 51. 84 C

ATOM 1470 O PRO A 549 -35. 473 -20. 436 6.084 1.00 51. 82 O

ATOM 1471 CB PRO A 549 -32. 607 -20. 726 7.457 1.00 51. 66 C

ATOM 1472 CG PRO . A 549 -31. 138 -20. 599 7.394 1.00 51. 56 C

ATOM 1473 CD PRO . A 549 -30. 880 -19. 360 6.573 1.00 51. 45 C

ATOM 1474 N ILE . A 550 -34. 607 -18. 382 6.414 1.00 52. 18 N

ATOM 1475 CA ILE . A 550 -35. 896 -17. 711 6.601 1.00 52. 49 C

ATOM 1476 C ILE , A 550 -36. 395 -17. 133 5.264 1.00 52. 62 C

ATOM 1477 O ILE , A 550 -37. 220 -16. 217 5.223 1.00 52. 64 O

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B ϊ069F216 vl

ATOM 1478 CB ILE: A 550 -35.806 -16.627 7.724 1.00 52.47 C

ATOM 1479 CGl . ILE A 550 -34 .925 -17 .131 8.874 1.00 52 .70 C

ATOM 1480 CG2 : ILE A 550 -37 .187 -16 .297 8.272 1.00 52 .49 C

ATOM 1481 CDl . ILE A 550 -34 .067 -16 .066 9.548 1.00 53 .11 C

ATOM 1482 N LEU A 551 -35 .890 -17 .698 4.170 1.00 52 .86 N

ATOM 1483 CA LEU A 551 -36 .253 -17 .269 2.823 1.00 53 .16 C

ATOM 1484 C LEU A 551 -36 .639 -18 .464 1.957 1.00 53 .47 C

ATOM 1485 O LEU A 551 -35 .962 -19 .498 1.982 1.00 53 .57 O

ATOM 1486 CB LEU A 551 -35 .085 -16 .530 2.167 1.00 53 .00 C

ATOM 1487 CG LEU A 551 -34 .531 -15 .277 2.846 1.00 52 .74 C

ATOM 1488 CDl LEU A 551 -33 .118 -14 .981 2.360 1.00 52 .37 C

ATOM 1489 CD2 LEU A 551 -35 .450 -14 .087 2.617 1.00 52 .66 C

ATOM 1490 N ASP A 552 -37 .722 -18 .315 1.193 1.00 53 .70 N

ATOM 1491 CA ASP A 552 -38 .141 -19 .331 0.220 1.00 53 .96 C

ATOM 1492 C ASP A 552 -37 .013 -19 .585 -0.766 1.00 53 .97 C

ATOM 1493 O ASP A 552 -36 .154 -18 .726 -0.965 1.00 54 .11 O

ATOM 1494 CB ASP A 552 -39 .400 -18 .887 -0.537 1.00 54 .09 C

ATOM 1495 CG ASP A 552 -39 .166 -17 .649 -1.396 1.00 54 .43 C

ATOM 1496 ODl ASP A 552 -39 .600 -17 .647 -2.568 1.00 54 .20 O

ATOM 1497 OD2 ASP A 552 -38 .543 -16 .683 -0.896 1.00 54 .82 O

ATOM 1498 N ASN A 553 -37 .022 -20 .757 -1.391 1.00 53 .96 N

ATOM 1499 CA ASN A 553 -35 .917 -21 .147 -2.254 1.00 54 .02 C

ATOM 1500 C ASN A 553 -35 .789 -20 .294 -3.525 1.00 54 .02 C

ATOM 1501 O ASN A 553 -34 .710 -20 .225 -4.116 1.00 54 .17 O

ATOM 1502 CB ASN A 553 -35 .988 -22 .640 -2.582 1.00 54 .04 C

ATOM 1503 CG ASN A 553 -34. .621 -23 .298 -2.594 1.00 54 .26 C

ATOM 1504 ODl ASN A 553 -33 .789 -23 .029 -3.464 1.00 54 .33 O

ATOM 1505 ND2 ASN A 553 -34. .383 -24 .170 -1.622 1.00 54 .49 N

ATOM 1506 N SER A 554 -36. .879 -19 .637 -3.927 1.00 53. .88 N

ATOM 1507 CA SER A 554 -36. .878 -18. .753 -5.103 1.00 53. .65 C

ATOM 1508 C SER A 554 -36. .045 -17. .490 -4.872 1.00 53. .44 C

ATOM 1509 O SER A 554 -35. 396 -16. .981 -5.786 1.00 53. .43 O

ATOM 1510 CB SER A 554 -38. 310 -18. .372 -5.495 1.00 53. 70 C

ATOM 1511 OG SER A 554 -38. 340 -17. .590 -6.678 1.00 53. 59 O

ATOM 1512 N THR A 555 -36. 072 -16. 995 -3.640 1.00 53. 17 N

ATOM 1513 CA THR A 555 -35. 329 -15. 801 -3.261 1.00 52. 97 C

ATOM 1514 C THR A 555 -33. 829 -16. 084 -3.126 1.00 52. 77 C

ATOM 1515 O THR A 555 -32. 997 -15. 245 -3.483 1.00 52. 75 O

ATOM 1516 CB THR A 555 -35. 896 -15. 211 -1.953 1.00 53. 05 C

ATOM 1517 OGl THR A 555 -37. 268 -14. 843 -2.157 1.00 53. 12 O

ATOM 1518 CG2 THR A 555 -35. 113 -13. 992 -1.508 1.00 52. 96 C

ATOM 1519 N LEU A 556 -33. 496 -17. 273 -2.627 1.00 52. 47 N

ATOM 1520 CA LEU A 556 -32. 104 -17. 672 -2.419 1.00 52. 22 C

ATOM 1521 C LEU A 556 -31. 304 -17. 867 -3.710 1.00 52. 03 C

ATOM 1522 O LEU A 556 -30. 078 -17. 733 -3.710 1.00 52. 02 O

ATOM 1523 CB LEU A 556 -32. 033 -18. 950 -1.574 1.00 52. 26 C

ATOM 1524 CG LEU A 556 -32. 063 -18. 815 -0.048 1.00 52. 29 C

ATOM 1525 CDl LEU A 556 -32. 291 -20. 169 0.608 1.00 52. 41 C

ATOM 1526 CD2 LEU A 556 -30. 778 -18. 180 0.472 1.00 52. 63 C

ATOM 1527 N GLN A 557 -32. 001 -18. 168 -4.804 1.00 51. 74 N

ATOM 1528 CA GLN A 557 -31. 353 -18. 608 -6.041 1.00 51. 44 C

ATOM 1529 C GLN A 557 -31. 138 -17. 503 -7.076 1.00 51. 13 C

ATOM 1530 O GLN A 557 -30. 094 -17. 459 -7.729 1.00 51. 08 O

ATOM 1531 CB GLN . A 557 -32. 143 -19. 760 -6.667 1.00 51. 53 C

ATOM 1532 CG GLN . A 557 -32. 303 -20. 983 -5.767 1.00 51. 72 C

ATOM 1533 CD GLN . A 557 -31. 085 -21. 891 -5.749 1.00 52. 13 C

ATOM 1534 OEl GLN . A 557 -30. 228 -21. 832 -6.635 1.00 52. 14 O

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ATOM 1535 NE2 GLN ¹ A 557 -31.011 -22.749 -4.738 1.00 52.28 N

ATOM 1536 N SER A 558 -32 .125 -16 .625 -7 .227 1 .00 50 .72 N

ATOM 1537 CA SER A 558 -32 .081 -15 .579 -8 .247 1 .00 50 .32 C

ATOM 1538 C SER A 558 -31 .705 -14 .220 -7 .670 1 .00 49 .98 C

ATOM 1539 O SER A 558 -31 .227 -13 .344 -8 .391 1 .00 49 .97 O

ATOM 1540 CB SER A 558 -33 .432 -15 .471 .951 1 .00 50 .38 C

ATOM 1541 OG SER A 558 -34 .422 -14 .987 -8 .059 1 .00 50 .37 O

ATOM 1542 N GLU A 559 -31 .930 -14 .055 - O .369 1 .00 49 .57 N

ATOM 1543 CA GLU A 559 -31 .712 -12 .778 -5 .694 1 .00 49 .13 C

ATOM 1544 C GLU A 559 -30 .461 -12 .806 -4 .813 1 .00 48 .90 C

ATOM 1545 O GLU A 559 -29 .654 -11 .870 -4 .836 1 .00 48 .93 O

ATOM 1546 CB GLU A 559 -32 .943 -12 .398 -4 .864 1 .00 49 .09 C

ATOM 1547 CG GLU A 559 -34 .255 -12 .401 -5 .652 1 .00 49 .19 C

ATOM 1548 CD GLU A 559 -35 .489 -12 .430 -4 .765 1 .00 49 .05 C

ATOM 1549 OEl GLU A 559 -35 .558 -11 .636 -3 .800 1 .00 49 .30 O

ATOM 1550 OE2 GLU A 559 -36 .397 -13 .242 -5 .041 1 .00 48 .26 O

ATOM 1551 N VAL A 560 -30 .303 -13 .885 -4 .048 1 .00 48 .48 N

ATOM 1552 CA VAL A 560 -29 .192 -14 .006 -3 .100 1 .00 48 .03 C

ATOM 1553 C VAL A 560 -27 .933 -14 .601 -3 .741 1 .00 47 .64 C

ATOM 1554 O VAL A 560 -26 .897 -13 .941 -3 .793 1 .00 47 .56 O

ATOM 1555 CB VAL A 560 -29 .600 -14 .802 -1 .826 1 .00 47 .99 C

ATOM 1556 CGl VAL A 560 -28 .421 -14 .950 -0 .880 1 .00 47 .88 C

ATOM 1557 CG2 VAL A 560 -30 .762 -14 .116 -1 .115 1 .00 47 .91 C

ATOM 1558 N LYS A 561 -28 .034 -15 .832 -4 .241 1 .00 47 .25 N

ATOM 1559 CA LYS A 561 -26 .867 -16 .569 -4 .745 1 .00 46 .89 C

ATOM 1560 C LYS A 561 -25 .925 -15 .764 -5 .662 1 .00 46 .58 C

ATOM 1561 O LYS A 561 -24 .716 -15 .768 -5 .424 1 .00 46 .58 O

ATOM 1562 CB LYS A 561 -27 .267 -17 .899 -5 .399 1 .00 46 .86 C

ATOM 1563 CG LYS A 561 -26. .165 -18 .946 -5 .342 1. .00 46 .77 C

ATOM 1564 CD LYS A 561 -26, .286 -19 .958 -6. .457 1. .00 46. .94 C

ATOM 1565 CE LYS A 561 -25. .040 -20 .822 -6 .527 1. .00 47. .10 C

ATOM 1566 NZ LYS A 561 -24. .937 -21. .529 -7. .833 1. .00 47. .31 N

ATOM 1567 N PRO A 562 -26. .464 -15 , .070 -6. .694 1. .00 46. .23 N

ATOM 1568 CA PRO A 562 -25. .586 -14. .266 -7. .554 1. .00 46. .03 C

ATOM 1569 C PRO A 562 -24. 696 -13. .290 -6. .778 1. 00 45. 83 C

ATOM 1570 O PRO A 562 -23. 530 -13. .105 -7. 134 1. 00 45. 76 O

ATOM 1571 CB PRO A 562 -26. 572 -13. .493 -8. 437 1. 00 45. 99 C

ATOM 1572 CG PRO A 562 -27. 767 -14. 347 -8. 487 1. 00 46. 06 C

ATOM 1573 CD PRO A 562 -27. 869 -14. 983 -7. 138 1. 00 46. 16 C

ATOM 1574 N ILE A 563 -25. 244 -12. 685 -5. 728 1. 00 45. 58 N

ATOM 1575 CA ILE A 563 -24. 500 -11. 739 -4. 899 1. 00 45. 50 C

ATOM 1576 C ILE A 563 -23. 349 -12. 420 -4. 138 1. 00 45. 61 C

ATOM 1577 O ILE A 563 -22. 222 -11. 910 -4. 125 1. 00 45. 71 O

ATOM 1578 CB ILE A 563 -25. 452 -10. 953 -3. 942 1. 00 45. 46 C

ATOM 1579 CGl ILE A 563 -26. 397 -10. 035 -4. 741 1. 00 45. 12 C

ATOM 1580 CG2 ILE A 563 -24. 673 -10. 198 -2. 858 1. 00 44. 82 C

ATOM 1581 CDl ILE A 563 -25. 715 -9. 029 -5. 670 1. 00 44. 38 C

ATOM 1582 N LEU A 564 -23. 632 -13. 573 -3. 528 1. 00 45. 57 N

ATOM 1583 CA LEU A 564 -22. 605 -14. 372 -2. 846 1. 00 45. 40 C

ATOM 1584 C LEU A 564 -21. 516 -14. 860 -3. 806 1. 00 45. 26 C

ATOM 1585 O LEU A 564 -20. 346 -14. 958 -3. 429 1. 00 45. 09 O

ATOM 1586 CB LEU A 564 -23. 232 -15. 563 -2. 108 1. 00 45. 48 C

ATOM 1587 CG LEU A 564 -23. 770 -15. 373 -0. 684 1. 00 45. 14 C

ATOM 1588 CDl LEU A 564 -24. 546 -16. 600 -0. 240 1. 00 44. 98 C

ATOM 1589 CD2 LEU A 564 -22. 651 -15. 091 0. 295 1. 00 45. 06 C

ATOM 1590 N GLU . A 565 -21. 915 -15. 164 -5. 040 1. 00 45. 21 N

ATOM 1591 CA GLU . A 565 -20. 976 -15. 534 -6. 101 1. 00 45. 14 C

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# 10691216 v l

ATOM 1592 C GLU A 565 -20.006 -14.392 -6.400 1.00 45.00 C

ATOM 1593 O GLU A 565 -18 .807 -14 .624 -6 .559 1.00 45 .00 O

ATOM 1594 CB GLU A 565 -21 .718 -15 .965 -7 .376 1.00 45 .10 C

ATOM 1595 CG GLU A 565 -22 .242 -17 .402 -7 .349 1.00 45 .16 C

ATOM 1596 CD GLU A 565 -23 .195 -17 .725 -8 .499 1.00 45 .33 C

ATOM 1597 OEl GLU A 565 -23 .175 -18 .876 -8 .988 1.00 45 .37 O

ATOM 1598 OE2 GLU A 565 -23 .971 -16 .837 -8 .914 1.00 45 .67 O

ATOM 1599 N LYS A 566 -20 .523 -13 .165 -6 .460 1.00 44 .86 N

ATOM 1600 CA LYS A 566 -19 .679 -11 .984 -6 .661 1.00 44 .85 C

ATOM 1601 C LYS A 566 -18 .679 -11 .802 -5 .517 1.00 44 .47 C

ATOM 1602 O LYS A 566 -17 .496 -11 .551 -5 .761 1.00 44 .52 O

ATOM 1603 CB LYS A 566 -20 .526 -10 .719 -6 .836 1.00 44 .90 C

ATOM 1604 CG LYS A 566 -19 .801 -9 .589 -7 .574 1.00 45 .43 C

ATOM 1605 CD LYS A 566 -20 .659 -8 .328 -7 .725 1.00 45 .49 C

ATOM 1606 CE LYS A 566 -20 .605 -7 .440 -6 .481 1.00 46 .48 C

ATOM 1607 NZ LYS A 566 -21 .139 -6 .079 -6 .772 1.00 46 .96 N

ATOM 1608 N LEU A 567 -19 .157 -11 .954 -4 .281 1.00 43 .95 N

ATOM 1609 CA LEU A 567 -18 .328 -11 .765 -3 .093 1.00 43 .57 C

ATOM 1610 C LEU A 567 -17 .126 -12 .706 -3 .002 1.00 43 .48 C

ATOM 1611 O LEU A 567 -16 .071 -12 .307 -2 .525 1.00 43 .47 O

ATOM 1612 CB LEU A 567 -19 .169 -11 .860 -1 .811 1.00 43 .69 C

ATOM 1613 CG LEU A 567 -20 .160 -10 .750 -1 .431 1.00 43 .12 C

ATOM 1614 CDl LEU A 567 -20 .824 -11 .097 -0 .111 1.00 42 .00 C

ATOM 1615 CD2 LEU A 567 -19 .504 -9 .367 -1 .363 1.00 41 .87 C

ATOM 1616 N THR A 568 -17 .276 -13 .949 -3 .450 1.00 43 .46 N

ATOM 1617 CA THR A 568 -16 .142 -14 .886 -3 .480 1.00 43 .55 C

ATOM 1618 C THR A 568 -14 .995 -14 .370 -4 .361 1.00 43 .56 C

ATOM 1619 O THR A 568 -13 .837 -14 .756 -4 .183 1.00 43 .52 O

ATOM 1620 CB THR A 568 -16 .550 -16 .291 -3 .973 1.00 43 .54 C

ATOM 1621 OGl THR A 568 -17 .025 -16 .208 -5 .321 1.00 43 .54 O

ATOM 1622 CG2 THR A 568 -17 .636 -16. .888 -3. .088 1.00 43 .64 C

ATOM 1623 N GLN A 569 -15 .327 -13. .494 -5. .304 1.00 43 .54 N

ATOM 1624 CA GLN A 569 -14. .323 -12. .875 -6. ,164 1.00 43. .63 C

ATOM 1625 C GLN A 569 -13. .840 -11. .516 -5. .627 1.00 43. .59 C

ATOM 1626 O GLN A 569 -13. ,223 -10. .741 -6. ,359 1.00 43. .72 O

ATOM 1627 CB GLN A 569 -14. .846 -12. 737 -7. 601 1.00 43. ,63 C

ATOM 1628 CG GLN A 569 -15. .426 -14. 016 -8. 223 1.00 43. 88 C

ATOM 1629 CD GLN A 569 -14. 481 -15. 202 -8. 152 1.00 44. 17 C

ATOM 1630 OEl GLN A 569 -13. 338 -15. 133 -8. 607 1.00 44. 44 O

ATOM 1631 NE2 GLN A 569 -14. 959 -16. 304 -7. 580 1.00 44. 13 N

ATOM 1632 N ASP A 570 -14. 117 -11. 242 -4. 352 1.00 43. 48 N

ATOM 1633 CA ASP A 570 -13. 669 -10. 012 -3. 678 1.00 43. 55 C

ATOM 1634 C ASP A 570 -12. 141 -9. 916 -3. 593 1.00 43. 38 C

ATOM 1635 O ASP A 570 -11. 447 -10. 928 -3. 639 1.00 43. 25 O

ATOM 1636 CB ASP A 570 -14. 264 -9. 938 -2. 264 1.00 43. 56 C

ATOM 1637 CG ASP A 570 -14. 215 -8. 541 -1. 674 1.00 43. 71 C

ATOM 1638 ODl ASP A 570 -13. 397 -8. 310 -0. 764 1.00 44. 52 O

ATOM 1639 OD2 ASP A 570 -14. 987 -7. 668 -2. 116 1.00 43. 99 O

ATOM 1640 N GLN A 571 -11. 629 -8. 696 -3. 461 1.00 43. 27 N

ATOM 1641 CA GLN A 571 -10. 193 -8. 471 -3. 326 1.00 43. 47 C

ATOM 1642 C GLN A 571 -9. 636 -8. 892 -1. 965 1.00 43. 76 C

ATOM 1643 O GLN A 571 -8. 457 -9. 227 -1. 856 1.00 43. 65 O

ATOM 1644 CB GLN A 571 -9. 872 006 -3. 584 1.00 43. 40 C

ATOM 1645 CG GLN A 571 -10. 088 -6. 591 -5. 029 1.00 43. 83 C

ATOM 1646 CD GLN A 571 -10. 165 -5. 089 -5. 207 1.00 43. 92 C

ATOM 1647 OEl GLN A 571 - 9 739 -4. 323 -4. 336 1.00 44. 69 O

ATOM 1648 NE2 GLN . A 571 -10. 718 -4. 656 -6. 339 1.00 42. 68 N

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ATOM 1649 N ASF ¹ A 572 -10'.504 -8.882 -0.949 1.00 _' 44.14 N

ATOM 1650 CA ASF ¹ A 572 -10 .153 -9 .165 0.449 1.00 44 .38 C

ATOM 1651 C ASP ¹ A 572 -10 .210 -10 .645 0.830 1.00 44 .68 C

ATOM 1652 O ASP ¹ A 572 -11 .141 -11 .357 0.447 1.00 44 .77 O

ATOM 1653 CB ASP A 572 -11 .094 -8 .395 1.374 1.00 44 .37 C

ATOM 1654 CG ASP A 572 -10 .732 -8 .550 2.828 1.00 44 .30 C

ATOM 1655 ODl ASP A 572 -11 .554 -9 .087 3.593 1.00 44 .68 O

ATOM 1656 OD2 ASP A 572 -9 .614 O Q .146 3.207 1.00 45 .46 O

ATOM 1657 N VAL A 573 -9 .225 -11 .080 1.618 1.00 45 .04 N

ATOM 1658 CA VAL A 573 -9 .125 -12 .461 2.120 1.00 45 .43 C

ATOM 1659 C VAL A 573 -10 .386 -12 .901 2.863 1.00 45 .45 C

ATOM 1660 O VAL A 573 -10 .930 -13 .983 2.607 1.00 45 .61 O

ATOM 1661 CB VAL A 573 -7 .898 -12 .650 3.073 1.00 45 .40 C

ATOM 1662 CGl VAL A 573 -7 .779 -14 .099 3.523 1.00 45 .79 C

ATOM 1663 CG2 VAL A 573 -6 .599 -12 .212 2.396 1.00 46 .45 C

ATOM 1664 N ASP A 574 -10 .839 -12 .054 3.782 1.00 45 .40 N

ATOM 1665 CA ASP A 574 -11 .956 -12 .379 4.654 1.00 45 .37 C

ATOM 1666 C ASP A 574 -13 .289 -12 .444 3.917 1.00 45 .24 C

ATOM 1667 O ASP A 574 -14 .019 -13 .429 4.048 1.00 45 .40 O

ATOM 1668 CB ASP A 574 -12 .018 -11 .394 5.823 1.00 45 .56 C

ATOM 1669 CG ASP A 574 -10 .862 -11 .567 6.784 1.00 45 .80 C

ATOM 1670 ODl ASP A 574 -10 .569 -12 .715 7.172 1.00 46 .51 O

ATOM 1671 OD2 ASP A 574 -10 .238 -10 .558 7.153 1.00 46 .86 O

ATOM 1672 N VAL A 575 -13 .596 -11 .411 3.137 1.00 44 .99 N

ATOM 1673 CA VAL A 575 -14 .835 -11 .379 2.357 1.00 44 .82 C

ATOM 1674 C VAL A 575 -15 .010 -12 .649 1.508 1.00 44 .68 C

ATOM 1675 O VAL A 575 -16 .096 -13 .235 1.502 1.00 44 .53 O

ATOM 1676 CB VAL A 575 -14 .946 -10 .108 1.487 1.00 44 .82 C

ATOM 1677 CGl VAL A 575 -16 .299 -10. .058 0.773 1.00 44 .95 C

ATOM 1678 CG2 VAL A 575 -14 .757 -8 .866 2.338 1.00 44 .47 C

ATOM 1679 N LYS A 576 -13 .945 -13 .069 0.818 1.00 44 .52 N

ATOM 1680 CA LYS A 576 -13. .934 -14. .347 0.090 1.00 44. .55 C

ATOM 1681 C LYS A 576 -14. .373 -15. .477 1.012 1.00 44. .11 C

ATOM 1682 O LYS A 576 -15. .397 -16. .122 0.765 1.00 44. .01 O

ATOM 1683 CB LYS A 576 -12. .541 -14. 697 -0.451 1.00 44. .44 C

ATOM 1684 CG LYS A 576 -11. .976 -13. 765 -1.504 1.00 45. .43 C

ATOM 1685 CD LYS A 576 -10. .536 -14. 152 -1.852 1.00 45. 31 C

ATOM 1686 CE LYS A 576 -9. 756 -12. 978 -2.437 1.00 46. 02 C

ATOM 1687 NZ LYS A 576 -8. 323 -13. 308 -2.693 1.00 46. 53 N

ATOM 1688 N TYR A 577 -13. 601 -15. 696 2.080 1.00 43. 62 N

ATOM 1689 CA TYR A 577 -13. 800 -16. 852 2.946 1.00 43. 21 C

ATOM 1690 C TYR A 577 -15. 249 -16. 991 3.406 1.00 42. 88 C

ATOM 1691 O TYR A 577 -15. 839 -18. 067 3.283 1.00 42. 69 O

ATOM 1692 CB TYR A 577 -12. 847 -16. 848 4.152 1.00 43. 24 C

ATOM 1693 CG TYR A 577 -13. 179 -17. 946 5.144 1.00 43. 46 C

ATOM 1694 CDl TYR A 577 -12. 601 -19. 213 5.039 1.00 43. 39 C

ATOM 1695 CD2 TYR A 577 -14. 101 -17. 726 6.169 1.00 43. 34 C

ATOM 1696 CEl TYR A 577 -12. 923 -20. 230 5.945 1.00 43. 19 C

ATOM 1697 CE2 TYR A 577 -14. 433 -18. 731 7.067 1.00 43. 77 C

ATOM 1698 CZ TYR A 577 -13. 844 -19. 982 6.955 1.00 43. 66 C

ATOM 1699 OH TYR A 577 -14. 187 -20. 969 7.864 1.00 43. 71 O

ATOM 1700 N PHE A 578 -15. 811 -15. 903 3.926 1.00 42. 51 N

ATOM 1701 CA PHE A 578 -17. 159 -15. 923 4.484 1.00 42. 37 C

ATOM 1702 C PHE A 578 -18. 275 -15. 991 3.432 1.00 42. 28 C

ATOM 1703 O PHE . A 578 -19. 401 -16. 401 3.744 1.00 42. 06 O

ATOM 1704 CB PHE . A 578 -17. 357 -14. 737 5.423 1.00 42. 30 C

ATOM 1705 CG PHE . A 578 -16. 505 -14. 800 6.658 1.00 42. 80 C

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ATOM 1706 CDl. PHE A. 578 -16.878 -15.604 7.739 1.00 42.53 C

ATOM 1707 CD2 PHE A 578 -15 .330 -14 .056 6 .749 1 .00 42 .68 C

ATOM 1708 CEl PHE A 578 -16 .092 -15 .669 8 .887 1 .00 41 .63 C

ATOM 1709 CE2 PHE A 578 -14 .541 -14 .109 7 .898 1 .00 42 .75 C

ATOM 1710 CZ PHE A 578 -14 .924 -14 .920 8 .970 1 .00 42 .11 C

ATOM 1711 N ALA A 579 -17 .958 -15 .592 2 .197 1 .00 42 .15 N

ATOM 1712 CA ALA A 579 -18 .882 -15 .737 1 .064 1 .00 41 .78 C

ATOM 1713 C ALA A 579 -18 .977 -17 .201 0 .657 1 .00 41 .60 C

ATOM 1714 O ALA A 579 -20 .063 -17 .701 0 .355 1 .00 41 .61 O

ATOM 1715 CB ALA A 579 -18 .444 -14 .880 -0 .105 1 .00 41 .63 C

ATOM 1716 N GLN A 580 -17 .829 -17 .877 0 .663 1 .00 41 .42 N

ATOM 1717 CA GLN A 580 -17 .752 -19 .318 0 .445 1 .00 41 .20 C

ATOM 1718 C GLN A 580 -18 .525 -20 .079 1 .520 1 .00 41 .06 C

ATOM 1719 O GLN A 580 -19 .458 -20 .819 1 .209 1 .00 40 .94 O

ATOM 1720 CB GLN A 580 -16 .289 -19 .783 0 .402 1 .00 41 .12 C

ATOM 1721 CG GLN A 580 -15 .590 -19 .520 -0 .919 1 .00 41 .33 C

ATOM 1722 CD GLN A 580 -14 .072 -19 .399 -0 .791 1 .00 41 .74 C

ATOM 1723 OEl GLN A 580 -13 .539 -19 .132 0 .291 1 .00 41 .10 O

ATOM 1724 NE2 GLN A 580 -13 .371 -19 .580 ~ 1 .913 1 .00 41 .60 N

ATOM 1725 N GLU A 581 -18 .153 -19 .877 2 .782 1 .00 41 .09 N

ATOM 1726 CA GLU A 581 -18 .779 -20 .605 3 .881 1 .00 41 .19 C

ATOM 1727 C GLU A 581 -20 .304 -20 .450 3 .888 1 .00 41 .01 C

ATOM 1728 O GLU A 581 -21 .017 -21 .409 4 .160 1 .00 40 .92 O

ATOM 1729 CB GLU A 581 -18 .187 -20 .206 5 .231 1 .00 41 .20 C

ATOM 1730 CG GLU A 581 -18 .230 -21 .346 6 .245 1 .00 42 .30 C

ATOM 1731 CD GLU A 581 -18 .687 -20 .904 7 .629 1 .00 43 .34 C

ATOM 1732 OEl GLU A 581 -19 .622 -21 .533 8 .173 1 .00 42 .31 O

ATOM 1733 OE2 GLU A 581 -18 .116 -19 .928 8 .171 1 .00 44 .89 O

ATOM 1734 N ALA A 582 -20 .789 -19 .250 3 .572 1, .00 40 .99 N

ATOM 1735 CA ALA A 582 -22 .225 -18 .996 3 .445 1, .00 40, .98 C

ATOM 1736 C ALA A 582 -22 .879 -19 .876 2 .379 1, .00 41, .09 C

ATOM 1737 O ALA A 582 -23 .933 -20 .467 2 .633 1. .00 40, .97 O

ATOM 1738 CB ALA A 582 -22, .496 -17. .525 3. ,167 1. 00 40. ,84 C

ATOM 1739 N LEU A 583 -22 , .248 -19. .966 1. ,204 1. 00 41. ,24 N

ATOM 1740 CA LEU A 583 -22. .733 -20. ,821 0. , 114 1. 00 41. 53 C

ATOM 1741 C LEU A 583 -22. .777 -22. ,295 0. ,518 1. 00 41. 76 C

ATOM 1742 O LEU A 583 -23. .717 -23. 013 0. 170 1. 00 41. 88 O

ATOM 1743 CB LEU A 583 -21. 874 -20. 658 -1. 146 1. 00 41. 61 C

ATOM 1744 CG LEU A 583 -21. 980 -19. 416 -2. 042 1. 00 41. 59 C

ATOM 1745 CDl LEU A 583 -20. 889 -19. 453 -3. 096 1. 00 41. 17 C

ATOM 1746 CD2 LEU A 583 -23. 340 -19. 303 -2. 708 1. 00 41. 79 C

ATOM 1747 N THR A 584 -21. 754 -22. 734 1. 250 1. 00 42. 04 N

ATOM 1748 CA THR A 584 -21. 703 -24. 087 1. 804 1. 00 42. 32 C

ATOM 1749 C THR A 584 -22. 857 -24. 331 2. 788 1. 00 42. 60 C

ATOM 1750 O THR A 584 -23. 648 -25. 254 2. 595 1. 00 42. 66 O

ATOM 1751 CB THR A 584 -20. 342 -24. 362 2. 491 1. 00 42. 26 C

ATOM 1752 OGl THR A 584 -19. 291 -24. 261 1. 525 1. 00 42. 19 O

ATOM 1753 CG2 THR A 584 -20. 311 -25. 748 3. 110 1. 00 42. 45 C

ATOM 1754 N VAL A 585 -22. 955 -23. 489 3. 817 1. 00 42. 87 N

ATOM 1755 CA VAL A 585 -23. 982 -23. 615 4. 865 1. 00 43. 18 C

ATOM 1756 C VAL A 585 -25. 420 -23. 526 4. 314 1. 00 43. 52 C

ATOM 1757 O VAL A 585 -26. 357 -24. 063 4. 917 1. 00 43. 54 O

ATOM 1758 CB VAL A 585 -23. 739 -22. 592 6. 033 1. 00 43. 19 C

ATOM 1759 CGl VAL A 585 -24. 911 -22. 555 7. 017 1. 00 43. 06 C

ATOM 1760 CG2 VAL A 585 -22. 446 -22. 924 6. 779 1. 00 42. 88 C

ATOM 1761 N LEU , A 586 -25. 581 -22. 871 3. 164 1. 00 43. 84 N

ATOM 1762 CA LEU . A 586 -26. 895 -22. 729 2. 523 1. 00 44. 07 C

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ATOM 1763 C LEU A 586 -27.152 -23.777 1.430 1.00 44.16 C

ATOM 1764 O LEU A 586 -28 .078 -23 .630 0.625 1 .00 44 .14 O

ATOM 1765 CB LEU A 586 -27 .064 -21 .316 1.949 1 .00 44 .12 C

ATOM 1766 CG LEU A 586 -27 .059 -20 .093 2.871 1 .00 44 .20 C

ATOM 1767 CDl LEU A 586 -27 .065 -18 .835 2.029 1 .00 44 .35 C

ATOM 1768 CD2 LEU A 586 -28 .239 -20 .095 3.832 1 .00 44 .62 C

ATOM 1769 N SER A 587 -26 .325 -24 .826 1.413 1 .00 44 .32 N

ATOM 1770 CA SER A 587 -26 .403 -25 .931 0.435 1 .00 44 .37 C

ATOM 1771 C SER A 587 -26 .260 -25 .497 -1.025 1 .00 44 .47 C

ATOM 1772 O SER A 587 -26 .437 -26 .308 -1.937 1 .00 44 .44 O

ATOM 1773 CB SER A 587 -27 .681 -26 .754 0.625 1 .00 44 .23 C

ATOM 1774 OG SER A 587 -27 .662 -27 .420 1.871 1 .00 44 .25 O

ATOM 1775 N LEU A 588 -25 .932 -24 .225 -1.233 1 .00 44 .59 N

ATOM 1776 CA LEU A 588 -25 .805 -23 .662 -2.571 1 .00 44 .82 C

ATOM 1777 C LEU A 588 -24 .504 -24 .110 -3.236 1 .00 45 .05 C

ATOM 1778 O LEU A 588 -24 .527 -24 .617 -4.363 1 .00 45 .20 O

ATOM 1779 CB LEU A 588 -25 .903 -22 .132 -2.530 1 .00 44 .86 C

ATOM 1780 CG LEU A 588 -27 .204 -21 .494 -2.025 1 .00 44 .68 C

ATOM 1781 CDl LEU A 588 -26 .970 -20 .051 -1.617 1 .00 44 .63 C

ATOM 1782 CD2 LEU A 588 -28 .302 -21 .571 -3.066 1 .00 44 .67 C

ATOM 1783 N ALA A 589 -23 .386 -23 .924 -2.528 1 .00 45 .19 N

ATOM 1784 CA ALA A 589 -22 .048 -24 .353 -2.973 1 .00 45 .38 C

ATOM 1785 C ALA A 589 -21 .722 -24 .005 -4.435 1 .00 45 .51 C

ATOM 1786 O ALA A 589 -21 .754 -24 .847 -5.342 1 .00 45 .45 O

ATOM 1787 CB ALA A 589 -21 .835 -25 .854 -2.699 1 .00 45 .40 C

ATOM 1788 OXT ALA A 589 -21 .414 -22 .850 -4.739 1 .00 45 .67 O

TER 1789 ALA A 589

ATOM 1790 N PHE C 6 -7 .276 -25 .855 9.231 1 .00 51 .72 N

ATOM 1791 CA PHE C 6 -6 .423 -24 .991 10.098 1 .00 51 .66 C

ATOM 1792 C PHE C 6 -7 .144 -23. .699 10.478 1. .00 51 .43 C

ATOM 1793 O PHE C 6 -6 .965 -23. .188 11.587 1. .00 51 .53 O

ATOM 1794 CB PHE C 6 -5 .084 -24. .677 9.412 1. .00 51 .92 C

ATOM 1795 CG PHE C 6 -4. .055 -24. .068 10.332 1. .00 52 .24 C

ATOM 1796 CDl PHE C 6 -3. .265 -24. .876 11.148 1. .00 52. .56 C

ATOM 1797 CD2 PHE C 6 -3 , .876 -22. .686 10.384 1. ,00 52. .90 C

ATOM 1798 CEl PHE C 6 -2. , 314 -24. .314 12.009 1. 00 53. .01 C

ATOM 1799 CE2 PHE C 6 -2. .928 -22. 110 11.244 1. 00 53. .11 C

ATOM 1800 CZ PHE C 6 -2. 145 -22. 927 12.057 1. 00 52. 87 C

ATOM 1801 N THR C 7 -7. 949 -23. 174 9.556 1. 00 50. 99 N

ATOM 1802 CA THR C 7 -8. 777 -21. 999 9.828 1. 00 50. 63 C

ATOM 1803 C THR C 7 -9. 729 -22. 266 10.996 1. 00 50. 51 C

ATOM 1804 O THR C 7 -9. 952 -21. 394 11.835 1. 00 50. 61 O

ATOM 1805 CB THR C 7 -9. 571 -21. 565 8.577 1. 00 50. 50 C

ATOM 1806 OGl THR C 7 -8. 657 -21. 119 7.576 1. 00 50. 77 O

ATOM 1807 CG2 THR C 7 -10. 522 -20. 427 8.889 1. 00 50. 10 C

ATOM 1808 N LYS C 8 -10. 267 -23. 480 11.053 1. 00 50. 30 N

ATOM 1809 CA LYS C 8 -11. 242 -23. 837 12.078 1. 00 50. 13 C

ATOM 1810 C LYS C 8 -10. 592 -24. 281 13.389 1. 00 49. 96 C

ATOM 1811 O LYS C 8 -11. 209 -24. 205 14.451 1. 00 49. 87 O

ATOM 1812 CB LYS C 8 -12. 238 -24. 868 11.535 1. 00 50. 15 C

ATOM 1813 CG LYS C 8 -13. 368 -24. 218 10.737 1. 00 50. 20 C

ATOM 1814 CD LYS C 8 -13. 707 -24. 980 9.465 1. 00 50. 79 C

ATOM 1815 CE LYS C 8 -14. 636 -24. 158 8.576 1. 00 51. 08 C

ATOM 1816 NZ LYS C 8 -15. 038 -24. 856 7.320 1. 00 51. 00 N

ATOM 1817 N GLU C 9 -9. 343 -24. 728 13.310 1. 00 49. 87 N

ATOM 1818 CA GLU C 9 -8. 546 -24. 960 14.509 1. 00 49. 83 C

ATOM 1819 C GLU C 9 -8. 251 -23. 636 15.203 1. 00 49. 80 C

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ATOM 1820 O GLU C 9 -8.266 -23.554 16.434 1.00 49.83 O

ATOM 1821 CB GLU C 9 -7 .242 -25 .683 14 .175 1 .00 49 .81 C

ATOM 1822 CG GLU C 9 -7 .254 -27 .153 14 .540 1 .00 49 .92 C

ATOM 1823 CD GLU C 9 -5 .888 -27 .795 14 .440 1 .00 50 .20 C

ATOM 1824 OEl GLU C 9 -5 .829 -29 .002 14 .115 1 .00 50 .73 O

ATOM 1825 OE2 GLU C 9 -4 .876 -27 .099 14 .683 1 .00 49 .78 O

ATOM 1826 N LEU C 10 -7 .989 -22 .608 14 .394 1 .00 49 .74 N

ATOM 1827 CA LEU C 10 -7 .769 -21 .244 14 .870 1 .00 49 .43 C

ATOM 1828 C LEU C 10 -9 .004 -20 .688 15 .571 1 .00 49 .12 C

ATOM 1829 O LEU C 10 -8 .892 -20 .084 16 .635 1 .00 49 .15 O

ATOM 1830 CB LEU C 10 .373 -20 .338 13 .704 1 .00 49 .62 C

ATOM 1831 CG LEU C 10 -5 .922 -20 .375 13 .210 1 .00 50 .06 C

ATOM 1832 CDl LEU C 10 -5 .841 -19 .959 11 .746 1 .00 50 .36 C

ATOM 1833 CD2 LEU C 10 -5 .037 -19 .480 14 .071 1 .00 49 .77 C

ATOM 1834 N ASP C 11 -10 .175 -20 .905 14 .973 1 .00 48 .86 N

ATOM 1835 CA ASP C 11 -11 .451 -20 .500 15 .564 1 .00 48 .70 C

ATOM 1836 C ASP C 11 -11 .673 -21 .177 16 .913 1 .00 48 .52 C

ATOM 1837 O ASP C 11 -12 .156 -20 .553 17 .861 1 .00 48 .46 O

ATOM 1838 CB ASP C 11 -12 .609 -20 .810 14 .613 1 .00 48 .65 C

ATOM 1839 CG ASP C 11 -12 .547 -20 .001 13 .330 1 .00 49 .02 C

ATOM 1840 ODl ASP C 11 -12 .821 -20 .569 12 .258 1 .00 49 .18 O

ATOM 1841 OD2 ASP C 11 -12 .219 -18 .796 13 .383 1 .00 50 .32 O

ATOM 1842 N GLN C 12 -11 .303 -22 .453 16 .984 1 .00 48 .31 N

ATOM 1843 CA GLN C 12 -11 .357 -23 .218 18 .223 1 .00 48 .11 C

ATOM 1844 C GLN C 12 -10 .437 -22 .597 19 .278 1 .00 47 .95 C

ATOM 1845 O GLN C 12 -10 .854 -22 .390 20 .418 1 .00 48 .00 O

ATOM 1846 CB GLN C 12 -10 .994 -24 .685 17 .961 1 .00 48 .07 C

ATOM 1847 CG GLN C 12 -11 .392 -25 .645 19 .069 1 .00 48 .46 C

ATOM 1848 CD GLN C 12 -10 .501 -25 .535 20 .294 1 .00 49 .43 C

ATOM 1849 OEl GLN C 12 -9 .283 -25 .711 20 .212 1 .00 50 .22 O

ATOM 1850 NE2 GLN C 12 -11. .105 -25 .233 21 .439 1. .00 49, .39 N

ATOM 1851 N TRP C 13 -9. .198 -22. .289 18. .893 1. .00 47. .65 N

ATOM 1852 CA TRP C 13 -8. .242 -21. .665 19. .808 1. .00 47. .36 C

ATOM 1853 C TRP C 13 -8. .738 -20, .307 20. .313 1. .00 47. .22 C

ATOM 1854 O TRP C 13 -8. 611 -20. .000 21. .504 1. .00 47. 36 O

ATOM 1855 CB TRP C 13 -6. 851 -21. .521 19. ,171 1. 00 47. 35 C

ATOM 1856 CG TRP C 13 -6. 186 -22. .817 18. .749 1. 00 47. 60 C

ATOM 1857 CDl TRP C 13 -6. 584 -24. 099 19. .055 1. 00 47. 80 C

ATOM 1858 CD2 TRP C 13 -4. 988 -22. 951 17. 968 1. 00 47. 76 C

ATOM 1859 NEl TRP C 13 -5. 719 -25. 013 18. 497 1. 00 47. 31 N

ATOM 1860 CE2 TRP C 13 -4. 731 -24. 340 17. 827 1. 00 47. 65 C

ATOM 1861 CE3 TRP C 13 -4. 111 -22. 036 17. 368 1. 00 47. 52 C

ATOM 1862 CZ2 TRP C 13 -3. 629 -24. 832 17. 113 1. 00 47. 29 C

ATOM 1863 CZ3 TRP C 13 -3. 016 -22. 527 16. 655 1. 00 47. 56 C

ATOM 1864 CH2 TRP C 13 -2. 789 -23. 914 16. 534 1. 00 47. 53 C

ATOM 1865 N ILE C 14 -9. 309 -19. 506 19. 413 1. 00 46. 84 N

ATOM 1866 CA ILE C 14 -9. 836 -18. 184 19. 775 1. 00 46. 60 C

ATOM 1867 C ILE C 14 -10. 987 -18. 318 20. 786 1. 00 46. 60 C

ATOM 1868 O ILE C 14 -10. 935 -17. 742 21. 875 1. 00 46. 69 O

ATOM 1869 CB ILE C 14 -10. 238 -17. 355 18. 522 1. 00 46. 48 C

ATOM 1870 CGl ILE C 14 -8. 991 -16. 981 17. 716 1. 00 46. 00 C

ATOM 1871 CG2 ILE C 14 -10. 996 -16. 089 18. 910 1. 00 45. 90 C

ATOM 1872 CDl ILE C 14 -9. 256 -16. 743 16. 236 1. 00 45. 57 C

ATOM 1873 N GLU C 15 -11. 999 -19. 105 20. 432 1. 00 46. 46 N

ATOM 1874 CA GLU C 15 -13. 091 -19. 438 21. 342 1. 00 46. 41 C

ATOM 1875 C GLU C 15 -12. 570 -19. 796 22. 741 1. 00 46. 14 C

ATOM 1876 O GLU C 15 -13. 142 -19. 377 23. 748 1. 00 46. 26 O

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ATOM 1877 CB GLU C 15 -13.914 -20.598 20.770 1.00 46.38 C

ATOM 1878 CG GLU C 15 -15 .174 -20 .947 21 .561 1.00 47 .47 C

ATOM 1879 CD GLU C 15 -15 .521 -22 .438 21 .503 1.00 49 .17 C

ATOM 1880 OEl GLU C 15 -14 .720 -23 .264 22 .001 1.00 49 .55 O

ATOM 1881 OE2 GLU C 15 -16 .601 -22 .787 20 .971 1.00 49 .61 O

ATOM 1882 N GLN C 16 -11 .479 -20 .558 22 .789 1.00 45 .78 N

ATOM 1883 CA GLN C 16 -10 .915 -21 .053 24 .041 1.00 45 .54 C

ATOM 1884 C GLN C 16 -10 .218 -19 .944 24 .827 1.00 45 .47 C

ATOM 1885 O GLN C 16 -10 .426 -19 .790 26 .033 1.00 45 .42 O

ATOM 1886 CB GLN C 16 -9 .939 -22 .197 23 .757 1.00 45 .57 C

ATOM 1887 CG GLN C 16 -9 .469 -22 .964 24 .989 1.00 45 .46 C

ATOM 1888 CD GLN C 16 -8 .278 -23 .859 24 .694 1.00 45 .47 C

ATOM 1889 OEl GLN C 16 -8 .394 -24 .856 23 .985 1.00 45 .72 O

ATOM 1890 NE2 GLN C 16 _ ₇ .126 -23 .503 25 .241 1.00 45 .70 N

ATOM 1891 N LEU C 17 -9 .390 -19 .173 24 .137 1.00 45 .40 N

ATOM 1892 CA LEU C 17 -8 .682 -18 .064 24 .758 1.00 45 .34 C

ATOM 1893 C LEU C 17 -9 .649 -17 .009 25 .279 1.00 45 .42 C

ATOM 1894 O LEU C 17 -9 .356 -16 .333 26 .266 1.00 45 .73 O

ATOM 1895 CB LEU C 17 -7 .700 -17 .439 23 .769 1.00 45 .33 C

ATOM 1896 CG LEU C 17 -6 .439 -18 .255 23 .482 1.00 44 .74 C

ATOM 1897 CDl LEU C 17 -5 .932 -17 .982 22 .070 1.00 43 .75 C

ATOM 1898 CD2 LEU C 17 .369 -17 .989 24 .537 1.00 43 .16 C

ATOM 1899 N ASN C 18 -10 .800 -16 .877 24 .618 1.00 45 .28 N

ATOM 1900 CA ASN C 18 -11 .877 -15 .998 25 .084 1.00 45 .18 C

ATOM 1901 C ASN C 18 -12 .425 -16 .389 26 .457 1.00 45 .11 C

ATOM 1902 O ASN C 18 -13 .078 -15 .597 27 .128 1.00 44 .81 O

ATOM 1903 CB ASN C 18 -13 .007 -15 .946 24 .057 1.00 45 .10 C

ATOM 1904 CG ASN C 18 -12 .794 -14 .867 23 .023 1.00 45 .05 C

ATOM 1905 ODl ASN C 18 -13 .017 -13 .688 23 .281 1.00 44 .95 O

ATOM 1906 ND2 ASN C 18 -12 .355 -15 .265 21 .845 1.00 45. .80 N

ATOM 1907 N GLU C 19 -12 .144 -17. .621 26 .861 1.00 45. .33 N

ATOM 1908 CA GLU C 19 -12 .579 -18 .131 28. .145 1.00 45, .74 C

ATOM 1909 C GLU C 19 -11. .396 -18. .161 29. .107 1.00 45. .44 C

ATOM 1910 O GLU C 19 -11. .433 -18. .860 30. .116 1.00 45. 76 O

ATOM 1911 CB GLU C 19 -13. .175 -19. , 532 27. .979 1.00 45. 64 C

ATOM 1912 CG GLU C 19 -14. .421 -19. .599 27. 102 1.00 46. 04 C

ATOM 1913 CD GLU C 19 -15. .012 -21. 004 27. 028 1.00 47. 08 C

ATOM 1914 OEl GLU C 19 -15. .060 -21. 571 25. 912 1.00 49. 45 O

ATOM 1915 OE2 GLU C 19 -15. 430 -21. 552 28. 081 1.00 49. 29 O

ATOM 1916 N CYS C 20 -10. 358 -17. 387 28. 790 1.00 44. 94 N

ATOM 1917 CA CYS C 20 -9. 091 -17. 385 29. 531 1.00 44. 75 C

ATOM 1918 C CYS C 20 -8. 506 -18. 773 29. 802 1.00 44. 69 C

ATOM 1919 O CYS C 20 -8. 143 -19. 089 30. 938 1.00 44. 76 O

ATOM 1920 CB CYS C 20 -9. 204 -16. 613 30. 845 1.00 44. 65 C

ATOM 1921 SG CYS C 20 -7. 586 -16. 065 31. 451 1.00 44. 50 S

ATOM 1922 N LYS C 21 -8. 415 -19. 592 28. 759 1.00 44. 53 N

ATOM 1923 CA LYS C 21 -7. 831 -20. 925 28. 873 1.00 44. 47 C

ATOM 1924 C LYS C 21 -6. 686 -21. 088 27. 879 1.00 44. 10 C

ATOM 1925 O LYS C 21 -6. 899 -21. 099 26. 662 1.00 44. 27 O

ATOM 1926 CB LYS C 21 -8. 898 -22. 003 28. 678 1.00 44. 56 C

ATOM 1927 CG LYS C 21 ~ 9 931 -22. 037 29. 796 1.00 45. 69 C

ATOM 1928 CD LYS C 21 -11. 177 -22. 802 29. 375 1.00 47. 78 C

ATOM 1929 CE LYS C 21 -12. 286 -22. 684 30. 418 1.00 48. 48 C

ATOM 1930 NZ LYS C 21 -13. 494 -23. 481 30. 019 1.00 49. 19 N

ATOM 1931 N GLN C 22 -5. 473 -21. 201 28. 417 1.00 43. 54 N

ATOM 1932 CA GLN C 22 -4. 244 -21. 264 27. 621 1.00 42. 79 C

ATOM 1933 C GLN C 22 -4. 269 -22. 375 26. 572 1.00 42. 65 C

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ATOM 1934 O GLN C 22 -4.918 -23.410 26.758 1.00 42.50 O

ATOM 1935 CB GLN C 22 -3 .026 -21 .456 28 .538 1.00 42 .77 C

ATOM 1936 CG GLN C 22 -2 .913 -22 .855 29 .155 1.00 42 .20 C

ATOM 1937 CD GLN C 22 -1 .853 -22 .957 30 .228 1.00 42 .18 C

ATOM 1938 OEl - GLN C 22 -1 .866 -22 .209 31 .199 1.00 42 .31 O

ATOM 1939 NE2 GLN C 22 -0 .939 -23 .900 30 .067 1.00 41 .22 N

ATOM 1940 N LEU C 23 -3 .552 -22 .150 25 .475 1.00 42 .32 N

ATOM 1941 CA LEU C 23 -3 .274 -23 .209 24 .509 1.00 41 .91 C

ATOM 1942 C LEU C 23 -2 .125 -24 .082 25 .004 1.00 41 .68 C

ATOM 1943 O LEU C 23 -1 .344 -23 .670 25 .856 1.00 41 .41 O

ATOM 1944 CB LEU C 23 -2 .949 -22 .618 23 .133 1.00 41 .86 C

ATOM 1945 CG LEU C 23 -3 .934 -21 .602 22 .542 1.00 41 .48 C

ATOM 1946 CDl LEU C 23 -3 .471 -21 .182 21 .167 1.00 41 .40 C

ATOM 1947 CD2 LEU C 23 -5 .357 -22 .152 22 .476 1.00 41 .29 C

ATOM 1948 N SER C 24 -2 .038 -25 .299 24 .479 1.00 41 .86 N

ATOM 1949 CA SER C 24 -0 .945 -26 .206 24 .814 1.00 41 .85 C

ATOM 1950 C SER C 24 0 .374 -25 .675 24 .264 1.00 42 .03 C

ATOM 1951 O SER C 24 0 .390 -24 .884 23 .311 1.00 42 .21 O

ATOM 1952 CB SER C 24 -1 .213 -27 .567 24 .209 1.00 41 .78 C

ATOM 1953 OG SER C 24 -1 .134 -27 .482 22 .801 1.00 41 .83 O

ATOM 1954 N GLU C 25 1 .478 -26 .117 24 .858 1.00 42 .03 N

ATOM 1955 CA GLU C 25 2 .809 -25 .750 24 .379 1.00 42 .12 C

ATOM 1956 C GLU C 25 2 .949 -26 .031 22 .882 1.00 42 .35 C

ATOM 1957 O GLU C 25 3 .497 -25 .220 22 .134 1.00 42 .19 O

ATOM 1958 CB GLU C 25 3 .881 -26 .514 25 .157 1.00 41 .99 C

ATOM 1959 CG GLU C 25 5 .302 -26 .154 24 .769 1.00 41 .97 C

ATOM 1960 CD GLU C 25 6 .320 -27 .119 25 .323 1.00 42 .44 C

ATOM 1961 OEl GLU C 25 6 .086 -27 .676 26 .420 1.00 42 .33 O

ATOM 1962 OE2 GLU C 25 7 .358 -27. .315 24. .656 1.00 42 .50 O

ATOM 1963 N SER C 26 2 .439 -27. .187 22. .461 1.00 42 .74 N

ATOM 1964 CA SER C 26 2. .496 -27. .611 21. .072 1.00 42 .94 C

ATOM 1965 C SER C 26 1. .789 -26. ,617 20. .157 1.00 43. .00 C

ATOM 1966 O SER C 26 2. .283 -26. .306 19. .073 1.00 43. .15 O

ATOM 1967 CB SER C 26 1. .872 -28. 993 20. 923 1.00 42. .96 C

ATOM 1968 OG SER C 26 2. .069 -29. 486 19. 614 1.00 43. ,63 O

ATOM 1969 N GLN C 27 0. 645 -26. 110 20. 610 1.00 42. .95 N

ATOM 1970 CA GLN C 27 -0. 179 -25. 214 19. 807 1.00 42. 86 C

ATOM 1971 C GLN C 27 0. 424 -23. 828 19. 702 1.00 42. 83 C

ATOM 1972 O GLN C 27 0. 335 -23. 181 18. 658 1.00 42. 79 O

ATOM 1973 CB GLN C 27 -1. 590 -25. 131 20. 378 1.00 42. 92 C

ATOM 1974 CG GLN C 27 -2. 411 -26. 391 20. 143 1.00 42. 37 C

ATOM 1975 CD GLN C 27 -3. 700 -26. 402 20. 925 1.00 41. 36 C

ATOM 1976 OEl GLN C 27 -3. 829 -25. 740 21. 954 1.00 41. 40 O

ATOM 1977 NE2 GLN C 27 -4. 667 -27. 159 20. 441 1.00 41. 58 N

ATOM 1978 N VAL C 28 1. 040 -23. 376 20. 785 1.00 43. 02 N

ATOM 1979 CA VAL C 28 1. 711 -22. 077 20. 795 1.00 43. 10 C

ATOM 1980 C VAL C 28 2. 828 -22. 083 19. 753 1.00 43. 18 C

ATOM 1981 O VAL C 28 2. 983 -21. 130 18. 996 1.00 43. 34 O

ATOM 1982 CB VAL C 28 2. 219 -21. 707 22. 213 1.00 42. 95 C

ATOM 1983 CGl VAL C 28 3. 057 -20. 445 22. 186 1.00 43. 25 C

ATOM 1984 CG2 VAL C 28 1. 039 -21. 523 23. 161 1.00 42. 62 C

ATOM 1985 N LYS C 29 3. 558 -23. 192 19. 694 1.00 43. 50 N

ATOM 1986 CA LYS C 29 4. 654 -23. 387 18. 747 1.00 43. 79 C

ATOM 1987 C LYS C 29 4. 216 -23. 180 17. 294 1.00 43. 90 C

ATOM 1988 O LYS C 29 4. 897 -22. 494 16. 534 1.00 44. 06 O

ATOM 1989 CB LYS C 29 5. 268 -24. 783 18. 933 1.00 43. 68 C

ATOM 1990 CG LYS C 29 6. 642 -24. 973 18. 307 1.00 43. 68 C

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ATOM 1991 CD LYS C 29 7.075 -26.435 18i .383 1.00i 43.92 C

ATOM 1992 CE LYS C 29 8.382 -26 .690 17 ¹ .638 1.00 44 .23 C

ATOM 1993 NZ LYS C 29 9.531 -25 .979 18 .271 1.00 44 .56 N

ATOM 1994 N SER C 30 3.083 -23 .770 16 .920 1.00 44 .10 N

ATOM 1995 CA SER C 30 2.561 -23 .667 15 .553 1.00 44 .24 C

ATOM 1996 C SER C 30 2.079 -22 .248 15 .266 1.00 44 .44 C

ATOM 1997 O SER C 30 2.357 -21 .683 14 .205 1.00 44 .51 O

ATOM 1998 CB SER C 30 1.415 -24 .661 15 .333 1.00 44 .10 C

ATOM 1999 OG SER C 30 1.802 -25 .979 15 .672 1.00 43 .79 O

ATOM 2000 N LEU C 31 1.357 -21 .680 16 .225 1.00 44 .60 N

ATOM 2001 CA LEU C 31 0.863 -20 .319 16 .114 1.00 44 .97 C

ATOM 2002 C LEU C 31 2.008 -19 .372 15 .766 1.00 45 .20 C

ATOM 2003 O LEU C 31 1.932 -18 .626 14 .788 1.00 45 .18 O

ATOM 2004 CB LEU C 31 0.185 -19 .898 17 .425 1.00 44 .90 C

ATOM 2005 CG LEU C 31 -0.745 -18 .687 17 .370 1.00 44 .84 C

ATOM 2006 CDl LEU C 31 -1.755 -18 .821 16 .237 1.00 44 .43 C

ATOM 2007 CD2 LEU C 31 -1.449 -18 .508 18 .701 1.00 44 .99 C

ATOM 2008 N CYS C 32 3.073 -19 .445 16 .562 1.00 45 .45 N

ATOM 2009 CA CYS C 32 4.251 -18 .609 16 .406 1.00 45 .71 C

ATOM 2010 C CYS C 32 4.985 -18 .856 15 .098 1.00 45 .95 C

ATOM 2011 O CYS C 32 5.584 -17 .943 14 .544 1.00 46 .12 O

ATOM 2012 CB CYS C 32 5.203 -18 .818 17 .584 1.00 45 .73 C

ATOM 2013 SG CYS C 32 4.572 -18 .176 19 .158 1.00 45 .82 S

ATOM 2014 N GLU C 33 4.946 -20 .088 14 .606 1.00 46 .40 N

ATOM 2015 CA GLU C 33 5.604 -20 .406 13 .343 1.00 46 .91 C

ATOM 2016 C GLU C 33 4.937 -19 .662 12 .198 1.00 46 .99 C

ATOM 2017 O GLU C 33 5.616 -19 .080 11 .353 1.00 47 .04 O

ATOM 2018 CB GLU C 33 5.614 -21. .913 13 .083 1.00 46 .66 C

ATOM 2019 CG GLU C 33 6.737 -22. .661 13 .795 1.00 47 .08 C

ATOM 2020 CD GLU C 33 6.569 -24. .178 13 .743 1.00 47 .65 C

ATOM 2021 OEl GLU C 33 7.066 -24. .870 14 .661 1.00 48. .68 O

ATOM 2022 OE2 GLU C 33 5.938 -24. .688 12 .788 1.00 48. .71 O

ATOM 2023 N LYS C 34 3.607 -19. 662 12. .188 1.00 47. .22 N

ATOM 2024 CA LYS C 34 2.865 -19. 023 11. .113 1.00 47. .50 C

ATOM 2025 C LYS C 34 2.840 -17. 507 11. .264 1.00 47. 40 C

ATOM 2026 O LYS C 34 2.783 -16. 785 10. .269 1.00 47. 48 O

ATOM 2027 CB LYS C 34 1.449 -19. 595 10. .990 1.00 47. 58 C

ATOM 2028 CG LYS C 34 0.880 -19. 433 9. 588 1.00 48. 42 C

ATOM 2029 CD LYS C 34 -0.131 -20. 521 9. 244 1.00 50. 20 C

ATOM 2030 CE LYS C 34 -0.194 -20. 771 7. 733 1.00 50. 65 C

ATOM 2031 NZ LYS C 34 -0.378 -19. 513 6. 947 1.00 50. 87 N

ATOM 2032 N ALA C 35 2.887 -17. 035 12. 508 1.00 47. 38 N

ATOM 2033 CA ALA C 35 2.940 -15. 601 12. 797 1.00 47. 31 C

ATOM 2034 C ALA C 35 4.226 -14. 981 12. 269 1.00 47. 27 C

ATOM 2035 O ALA C 35 4.190 -13. 910 11. 672 1.00 47. 23 O

ATOM 2036 CB ALA C 35 2.792 -15. 339 14. 294 1.00 47. 34 C

ATOM 2037 N LYS C 36 5.352 -15. 662 12. 486 1.00 47. 31 N

ATOM 2038 CA LYS C 36 6.637 -15. 257 11. 918 1.00 47. 59 C

ATOM 2039 C LYS C 36 6.523 -15. 083 10. 406 1.00 47. 55 C

ATOM 2040 O LYS C 36 6.972 -14. 082 9. 846 1.00 47. 64 O

ATOM 2041 CB LYS C 36 7.708 -16. 304 12. 212 1.00 47. 40 C

ATOM 2042 CG LYS C 36 8.261 -16. 304 13. 628 1.00 48. 03 C

ATOM 2043 CD LYS C 36 9.242 -17. 472 13. 797 1.00 48. 35 C

ATOM 2044 CE LYS C 36 9.781 -17. 592 15. 217 1.00 49. 62 C

ATOM 2045 NZ LYS C 36 10.596 -18. 836 15. 381 1.00 49. 87 N

ATOM 2046 N GLU C 37 5.895 -16. 067 9. 768 1.00 47. 59 N

ATOM 2047 CA GLU C 37 5.739 -16. 130 8. 320 1.00 47. 56 C

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ATOM 2048 C GLU C 37 4.930 -14.957 7.763 1.00I 47.29 C

ATOM 2049 O GLU C 37 5.257 -14 .418 6.700 1.00 I 47 .43 O

ATOM 2050 CB GLU C 37 5.060 -17 .443 7.955 1.00 47 .51 C

ATOM 2051 CG GLU C 37 5.821 -18 .263 6.958 1.00 48 .70 C

ATOM 2052 CD GLU C 37 5.462 -19 .736 7.026 1.00 50 .41 C

ATOM 2053 OEl . GLU C 37 4.273 -20 .055 7.256 1.00 51 .19 O

ATOM 2054 OE2 GLU C 37 6.371 -20 .577 6.842 1.00 50 .92 O

ATOM 2055 N ILE C 38 3.877 -14 .576 8.483 1.00 46 .76 N

ATOM 2056 CA ILE C 38 3.043 -13 .438 8.107 1.00 46 .32 C

ATOM 2057 C ILE C 38 3.798 -12 .119 8.303 1.00 46 .16 C

ATOM 2058 O ILE C 38 3.887 -11 .297 7.386 1.00 46 .09 O

ATOM 2059 CB ILE C 38 1.710 -13 .428 8.904 1.00 46 .33 C

ATOM 2060 CGl ILE C 38 0.828 -14 .608 8.472 1.00 46 .18 C

ATOM 2061 CG2 ILE C 38 0.977 -12 .089 8.733 1.00 46 .03 C

ATOM 2062 CDl ILE C 38 -0.372 -14 .879 9.372 1.00 46 .03 C

ATOM 2063 N LEU C 39 4.352 -11 .945 9.499 1.00 45 .98 N

ATOM 2064 CA LEU C 39 5.034 -10 .718 9.897 1.00 45 .76 C

ATOM 2065 C LEU C 39 6.316 -10 .431 9. Ill 1.00 45 .71 C

ATOM 2066 O LEU C 39 6.753 -9 .285 9.050 1.00 45 .77 O

ATOM 2067 CB LEU C 39 5.320 -10 .748 11.399 1.00 45 .78 C

ATOM 2068 CG LEU C 39 4.112 -10 .649 12.340 1.00 45 .96 C

ATOM 2069 CDl LEU C 39 4.421 -11 .263 13.707 1.00 45 .67 C

ATOM 2070 CD2 LEU C 39 3.626 -9 .207 12.478 1.00 45 .74 C

ATOM 2071 N THR C 40 6.913 -11 .469 8.527 1.00 45 .61 N

ATOM 2072 CA THR C 40 8.053 -11 .329 7.621 1.00 45 .73 C

ATOM 2073 C THR C 40 7.714 -10 .431 6.429 1.00 45 .76 C

ATOM 2074 O THR C 40 8.536 -9 .622 5.993 1.00 45 .64 O

ATOM 2075 CB THR C 40 8.500 -12 .709 7.099 1.00 45 .84 C

ATOM 2076 OGl THR C 40 8.809 -13 .551 8.212 1.00 46 .59 O

ATOM 2077 CG2 THR C 40 9.730 -12 .601 6.201 1.00 45. .63 C

ATOM 2078 N LYS C 41 6.495 -10. .583 5.918 1.00 45. .88 N

ATOM 2079 CA LYS C 41 5.996 -9. .798 4.795 1.00 45. .98 C

ATOM 2080 C LYS C 41 5.675 -8. .368 5.200 1.00 45. .79 C

ATOM 2081 O LYS C 41 5.451 -7. .513 4.353 1.00 45. .93 O

ATOM 2082 CB LYS C 41 4.747 -10. .456 4.198 1.00 46. 03 C

ATOM 2083 CG LYS C 41 5.027 -11. 589 3.220 1.00 46. 15 C

ATOM 2084 CD LYS C 41 3.725 -12. 206 2.722 1.00 46. 58 C

ATOM 2085 CE LYS C 41 3.964 -13. 241 1.622 1.00 47. 82 C

ATOM 2086 NZ LYS C 41 2.736 -14. 040 1.325 1.00 47. 47 N

ATOM 2087 N GLU C 42 5.651 -8. 099 6.495 1.00 45. 78 N

ATOM 2088 CA GLU C 42 5.319 -6. 759 6.959 1.00 45. 82 C

ATOM 2089 C GLU C 42 6.543 -5. 842 7.036 1.00 45. 46 C

ATOM 2090 O GLU C 42 7.678 -6. 302 7.201 1.00 45. 22 O

ATOM 2091 CB GLU C 42 4.564 -6. 820 8.289 1.00 46. 14 C

ATOM 2092 CG GLU C 42 3.191 _ ₇ 464 8.165 1.00 47. 02 C

ATOM 2093 CD GLU C 42 2.201 -6. 968 9.201 1.00 49. 65 C

ATOM 2094 OEl GLU C 42 2.493 _ ς 983 9.918 1.00 50. 23 O

ATOM 2095 OE2 GLU C 42 1.108 -7. 564 9.291 1.00 51. 15 O

ATOM 2096 N SER C 43 6.290 -4. 543 6.908 1.00 45. 09 N

ATOM 2097 CA SER C 43 7.333 -3. 523 6.861 1.00 44. 65 C

ATOM 2098 C SER C 43 7.614 _ 2 918 8.247 1.00 44. 45 C

ATOM 2099 O SER C 43 6.772 -2. 999 9.140 1.00 44. 56 O

ATOM 2100 CB SER C 43 6.917 -2. 438 5.864 1.00 44. 40 C

ATOM 2101 OG SER C 43 7.709 -1. 272 5.989 1.00 44. 82 O

ATOM 2102 N ASN C 44 8.800 _ 2 326 8.416 1.00 44. 11 N

ATOM 2103 CA ASN C 44 9.137 -1. 528 9.602 1.00 43. 78 C

ATOM 2104 C ASN C 44 8.181 -0. 357 9.796 1.00 43. 95 C

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ATOM 2105 O ASN C 44 7.891 0.033 10.929 1.00 43.84 O

ATOM 2106 CB ASN C 44 10 .562 -0 .983 9 .511 1 .00 43 .70 C

ATOM 2107 CG ASN C 44 11 .612 -2 .068 9 .519 1 .00 42 .83 C

ATOM 2108 ODl ASN C 44 11 .300 -3 .250 9 .561 1 .00 42 .52 O

ATOM 2109 ND2 ASN C 44 12 .875 -1 .665 9 .473 1 .00 42 .22 N

ATOM 2110 N VAL C 45 7 .720 0 .213 8 .683 1 .00 44 .12 N

ATOM 2111 CA VAL C 45 6 .613 1 .165 8 .697 1 .00 44 .50 C

ATOM 2112 C VAL C 45 5 .425 0 .501 8 .008 1 .00 44 .74 C

ATOM 2113 O VAL C 45 5 .224 0 .662 6 .806 1 .00 44 .78 O

ATOM 2114 CB VAL C 45 6 .960 2 .514 7 .995 1 .00 44 .56 C

ATOM 2115 CGl VAL C 45 5 .877 3 .572 8 .277 1 .00 44 .03 C

ATOM 2116 CG2 VAL C 45 8 .331 3 .028 8 .426 1 .00 44 .52 C

ATOM 2117 N GLN C 46 4 .652 -0 .266 8 .772 1 .00 45 .12 N

ATOM 2118 CA GLN C 46 3 .529 -1 .019 8 .209 1 .00 45 .56 C

ATOM 2119 C GLN C 46 2 .384 -0 .103 7 .785 1 .00 45 .88 C

ATOM 2120 O GLN C 46 1 .838 0 .655 8 .588 1 .00 45 .68 O

ATOM 2121 CB GLN C 46 3 .041 -2 .108 9 .178 1 .00 45 .54 C

ATOM 2122 CG GLN C 46 1 .803 -2 .877 8 .714 1 .00 45 .50 C

ATOM 2123 CD GLN C 46 2 .064 -3 .814 7 .541 1 .00 45 .56 C

ATOM 2124 OEl GLN C 46 3 .211 -4 .053 7 .150 1 .00 45 .71 O

ATOM 2125 NE2 GLN C 46 0 .989 -4 .356 6 .976 1 .00 45 .15 N

ATOM 2126 N GLU C 47 2 .048 -0 .178 6 .501 1 .00 46 .31 N

ATOM 2127 CA GLU C 47 0 .951 0 .584 5 .937 1 .00 46 .79 C

ATOM 2128 C GLU C 47 -0 .363 0 .011 6 .471 1 .00 46 .76 C

ATOM 2129 O GLU C 47 -0 .615 -1 .194 6 .368 1 .00 46 .62 O

ATOM 2130 CB GLU C 47 0 .983 0 .521 4 .407 1 .00 47 .03 C

ATOM 2131 CG GLU C 47 2 .383 0 .581 3. .777 1 .00 48 .85 C

ATOM 2132 CD GLU C 47 3 .052 -0 .803 3. .630 1. .00 50 .73 C

ATOM 2133 OEl GLU C 47 3 .003 -1 .623 4. .585 1. .00 50 .45 O

ATOM 2134 OE2 GLU C 47 3 .640 -1 .061 2. .551 1. .00 50 .70 O

ATOM 2135 N VAL C 48 - X .174 0 .876 7. .075 1. .00 46 .68 N

ATOM 2136 CA VAL C 48 -2. .496 0. .502 7. 568 1. .00 46. .73 C

ATOM 2137 C VAL C 48 -3. .508 1. .462 6. 954 1. .00 47. .19 C

ATOM 2138 O VAL C 48 -3, .252 2. .667 6. 857 1. 00 47. .21 O

ATOM 2139 CB VAL C 48 -2. .578 0. .549 9. 128 1. 00 46. .61 C

ATOM 2140 CGl VAL C 48 -4. .010 0. 376 9. 616 1. 00 45. .70 C

ATOM 2141 CG2 VAL C 48 -1. 688 -0. 510 9. 747 1. 00 46. 25 C

ATOM 2142 N ARG C 49 -4. 646 0. 926 6. 521 1. 00 47. 50 N

ATOM 2143 CA ARG C 49 -5. 727 1. 758 6. 000 1. 00 48. 04 C

ATOM 2144 C ARG C 49 -6. 899 1. 829 6. 991 1. 00 47. 66 C

ATOM 2145 O ARG C 49 -7. 300 0. 825 7. 583 1. 00 47. 88 O

ATOM 2146 CB ARG C 49 -6. 167 1. 296 4. 600 1. 00 47. 90 C

ATOM 2147 CG ARG C 49 -6. 226 -0. 219 4. 426 1. 00 49. 19 C

ATOM 2148 CD ARG C 49 -6. 576 -0. 631 2. 996 1. 00 49. 56 C

ATOM 2149 NE ARG C 49 -7. 016 -2. 032 2. 933 1. 00 52. 98 N

ATOM 2150 CZ ARG C 49 -7. 454 -2. 647 1. 831 1. 00 54. 30 C

ATOM 2151 NHl ARG C 49 -7. 524 -1. 999 0. 670 1. 00 54. 13 N

ATOM 2152 NH2 ARG C 49 -7. 826 -3. 924 1. 886 1. 00 54. 89 N

ATOM 2153 N CYS C 50 -7. 412 3. 037 7. 191 1. 00 47. 24 N

ATOM 2154 CA CYS C 50 -8. 558 3. 262 8. 049 1. 00 46. 71 C

ATOM 2155 C CYS C 50 -9. 825 2. 708 7. 394 1. 00 46. 39 C

ATOM 2156 O CYS C 50 -9. 850 2. 489 6. 183 1. 00 46. 28 O

ATOM 2157 CB CYS C 50 -8. 703 4. 754 8. 325 1. 00 46. 84 C

ATOM 2158 SG CYS C 50 -9. 117 5. 717 6. 859 1. 00 47. 40 S

ATOM 2159 N PRO C 51 -10. 889 2. 478 8. 185 1. 00 46. 15 N

ATOM 2160 CA PRO < C 51 -11. 042 2. 710 9. 618 1. 00 46. 02 C

ATOM 2161 C PRO ' C 51 -10. 325 1. 678 10.. 482 1. 00 45. 97 C

-138-

»10691216 vl

ATOM 2162 O PRO C 51 -10.411 0.479 10.221 1.00 46.33 O

ATOM 2163 CB PRO C 51 -12.547 2.604 9 '.818 1.00 45 .93 C

ATOM 2164 CG PRO C 51 -12.970 1.647 8 .781 1.00 46 .10 C

ATOM 2165 CD PRO C 51 -12.119 1.925 7 .594 1.00 46 .16 C

ATOM 2166 N VAL C 52 -9.607 2.162 11 .491 1.00 45 .75 N

ATOM 2167 CA VAL C 52 -8.923 1.317 12 .461 1.00 45 .69 C

ATOM 2168 C VAL C 52 -9.164 1.903 13 .839 1.00 45 .49 C

ATOM 2169 O VAL C 52 -9.463 3.092 13 .974 1.00 45 .54 O

ATOM 2170 CB VAL C 52 -7.385 1.314 12 .267 1.00 45 .78 C

ATOM 2171 CGl VAL C 52 -6.806 -0.045 12 .633 1.00 45 .81 C

ATOM 2172 CG2 VAL C 52 -7.003 1.690 10 .854 1.00 46 .38 C

ATOM 2173 N THR C 53 -9.013 1.075 14 .862 1.00 45 .17 N

ATOM 2174 CA THR C 53 -9.008 1.561 16 .223 1.00 45 .15 C

ATOM 2175 C THR C 53 -7.595 1.399 16 .787 1.00 45 .52 C

ATOM 2176 O THR C 53 -7.085 0.276 16 .907 1.00 45 .71 O

ATOM 2177 CB THR C 53 -10.057 0.827 17 .080 1.00 45 .05 C

ATOM 2178 OGl THR C 53 -11.355 1.038 16 .514 1.00 44 .56 O

ATOM 2179 CG2 THR C 53 -10.042 1.331 18 .523 1.00 44 .82 C

ATOM 2180 N VAL C 54 -6.959 2.527 17 .110 1.00 45 .62 N

ATOM 2181 CA VAL C 54 -5.613 2.513 17 .677 1.00 45 .66 C

ATOM 2182 C VAL C 54 -5.678 2.235 19 .177 1.00 45 .91 C

ATOM 2183 O VAL C 54 -6.451 2.871 19 .903 1.00 45 .73 O

ATOM 2184 CB VAL C 54 -4.854 3.833 17 .425 1.00 45 .71 C

ATOM 2185 CGl VAL C 54 -3.356 3.631 17 .649 1.00 45 .05 C

ATOM 2186 CG2 VAL C 54 -5.112 4.336 16 .017 1.00 45 .59 C

ATOM 2187 N CYS C 55 -4.854 1.281 19 .617 1.00 46 .13 N

ATOM 2188 CA CYS C 55 -4.782 0.846 21 .007 1.00 46 .20 C

ATOM 2189 C CYS C 55 -3.368 0.950 21 .578 1.00 46. .22 C

ATOM 2190 O CYS C 55 -2.377 0.612 20 .909 1.00 46. .45 O

ATOM 2191 CB CYS C 55 -5.272 -0.587 21 .111 1.00 46. .03 C

ATOM 2192 SG CYS C 55 -6.922 -0.772 20. .458 1.00 48. .22 S

ATOM 2193 N GLY C 56 -3.280 1.413 22. .820 1.00 45. .93 N

ATOM 2194 CA GLY C 56 -2.001 1.545 23. .495 1.00 45. 61 C

ATOM 2195 C GLY C 56 -1.706 0.348 24. .363 1.00 45. 65 C

ATOM 2196 O GLY C 56 -2.268 -0.739 24. 148 1.00 45. 86 O

ATOM 2197 N ASP C 57 -0.835 0.553 25. 352 1.00 45. 27 N

ATOM 2198 CA ASP C 57 -0.350 -0.513 26. 230 1.00 44. 94 C

ATOM 2199 C ASP C 57 -1.478 -1.346 26. 823 1.00 44. 61 C

ATOM 2200 O ASP C 57 -2.475 -0.808 27. 305 1.00 44. 65 O

ATOM 2201 CB ASP C 57 0.477 0.068 27. 379 1.00 45. 24 C

ATOM 2202 CG ASP C 57 1.688 0.831 26. 912 1.00 45. 69 C

ATOM 2203 ODl ASP C 57 1.544 1.748 26. 098 1.00 47. 68 O

ATOM 2204 OD2 ASP C 57 2.795 0.540 27. 382 1.00 47. 57 O

ATOM 2205 N VAL C 58 -1.300 -2.661 26. 807 1.00 44. 11 N

ATOM 2206 CA VAL C 58 -2.310 -3.581 27. 322 1.00 43. 92 C

ATOM 2207 C VAL C 58 -1.797 -4.349 28. 554 1.00 43. 89 C

ATOM 2208 O VAL C 58 -2.563 -4.671 29. 478 1.00 43. 45 O

ATOM 2209 CB VAL C 58 -2.849 -4.473 26. 170 1.00 43. 83 C

ATOM 2210 CGl VAL C 58 -2.830 -5.946 26. 512 1.00 44. 08 C

ATOM 2211 CG2 VAL C 58 -4.226 -4.000 25. 756 1.00 43. 56 C

ATOM 2212 N HIS C 59 -0.489 -4.615 28. 547 1.00 43. 95 N

ATOM 2213 CA HIS C 59 0.266 -5.112 29. 708 1.00 43. 84 C

ATOM 2214 C HIS C 59 -0.218 -6.435 30. 309 1.00 43. 79 C

ATOM 2215 O HIS C 59 -0.245 -6.601 31. 526 1.00 44. 24 O

ATOM 2216 CB HIS C 59 0.375 -4.024 30. 788 1.00 43. 56 C

ATOM 2217 CG HIS C 59 1.289 -2.895 30. 422 1.00 43. 83 C

ATOM 2218 NDl HIS C 59 2.618 -3.082 30. 105 1.00 44.. 30 N

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//10691216 vl

ATOM 2219 CD2 HIS C 59 1.068 -1.561 30.336 1.00 43.84 C

ATOM 2220 CEl HIS C 59 3.175 -1 .915 29 .834 1.00 43 .54 C

ATOM 2221 NE2 HIS C 59 2.255 -0 .976 29 .966 1.00 43 .91 N

ATOM 2222 N GLY C 60 -0.586 -7 .383 29 .461 1.00 43 .69 N

ATOM 2223 CA GLY C 60 -0.984 -8 .703 29 .938 1.00 44 .06 C

ATOM 2224 C GLY C 60 -2.221 -8 .748 30 .823 1.00 44 .21 C

ATOM 2225 O GLY C 60 -2.486 -9 .758 31 .477 1.00 44 .01 O

ATOM 2226 N GLN C 61 -2.981 -7 .656 30 .844 1.00 44 .42 N

ATOM 2227 CA GLN C 61 -4.199 -7 .584 31 .649 1.00 44 .55 C

ATOM 2228 C GLN C 61 -5.383 -8 .128 30 .862 1.00 44 .64 C

ATOM 2229 O GLN C 61 -6.256 -7 .377 30 .411 1.00 44 .48 O

ATOM 2230 CB GLN C 61 -4.443 -6 .156 32 .130 1.00 44 .58 C

ATOM 2231 CG GLN C 61 -3.501 -5 .755 33 .244 1.00 44 .66 C

ATOM 2232 CD GLN C 61 -3.496 -4 .279 33 .514 1.00 45 .59 C

ATOM 2233 OEl GLN C 61 -2.439 -3 .692 33 .703 1.00 47 .67 O

ATOM 2234 NE2 GLN C 61 -4.671 -3 .661 33 .532 1.00 45 .90 N

ATOM 2235 N PHE C 62 -5.383 -9 .455 30 .712 1.00 44 .82 N

ATOM 2236 CA PHE C 62 -6.337 -10 .195 29 .875 1.00 44 .73 C

ATOM 2237 C PHE C 62 -7.788 -9 .715 29 .980 1.00 44 .68 C

ATOM 2238 O PHE C 62 -8.431 -9 .449 28 .961 1.00 44 .79 O

ATOM 2239 CB PHE C 62 -6.243 -11 .701 30 .161 1.00 44 .59 C

ATOM 2240 CG PHE C 62 -7.339 -12 .502 29 .529 1.00 44 .70 C

ATOM 2241 CDl PHE C 62 -7.243 -12 .907 28 .200 1.00 44 .50 C

ATOM 2242 CD2 PHE C 62 -8.478 -12 .841 30 .257 1.00 44 .56 C

ATOM 2243 CEl PHE C 62 -8.264 -13 .644 27 .604 1.00 44 .06 C

ATOM 2244 CE2 PHE C 62 -9.500 -13 .566 29 .670 1.00 44 .65 C

ATOM 2245 CZ PHE C 62 -9.391 -13 .974 28 .338 1.00 44 .67 C

ATOM 2246 N HIS C 63 -8.287 - 9 .606 31 .208 1.00 44 .39 N

ATOM 2247 CA HIS C 63 -9.670 -9 .218 31 .441 1.00 44 .39 C

ATOM 2248 C HIS C 63 -9.994 -7 .792 30 .989 1.00 44 .50 C

ATOM 2249 O HIS C 63 -11.079 -7 .538 30 .462 1.00 45 .03 O

ATOM 2250 CB HIS C 63 -10.033 -9 .454 32, .902 1.00 44 .22 C

ATOM 2251 CG HIS C 63 -9.858 -10, .880 33. .321 1.00 44 .22 C

ATOM 2252 NDl HIS C 63 -8.639 -11. .396 33. .706 1.00 43. .84 N

ATOM 2253 CD2 HIS C 63 -10.736 -11. .911 33. .368 1.00 43. .66 C

ATOM 2254 CEl HIS C 63 -8.779 -12. .677 34. 000 1.00 43. ,36 C

ATOM 2255 NE2 HIS C 63 -10.041 -13. 014 33. 802 1.00 43. .76 N

ATOM 2256 N ASP C 64 -9.054 -6. 870 31. 160 1.00 44. 18 N

ATOM 2257 CA ASP C 64 -9.248 -5. 503 30. 677 1.00 44. 05 C

ATOM 2258 C ASP C 64 -9.187 -5. 410 29. 154 1.00 44. 21 C

ATOM 2259 O ASP C 64 -9.724 -4. 464 28. 558 1.00 44. 44 O

ATOM 2260 CB ASP C 64 -8.217 -4. 571 31. 288 1.00 43. 92 C

ATOM 2261 CG ASP C 64 -8.342 -4. 467 32. 788 1.00 43. 51 C

ATOM 2262 ODl ASP C 64 -9.463 -4. 616 33. 317 1.00 44. 39 O

ATOM 2263 OD2 ASP C 64 -7.312 -4. 217 33. 443 1.00 43. 31 O

ATOM 2264 N LEU C 65 -8.517 -6. 379 28. 530 1.00 44. 06 N

ATOM 2265 CA LEU C 65 -8.499 -6. 480 27. 077 1.00 43. 84 C

ATOM 2266 C LEU C 65 -9.869 -6. 954 26. 604 1.00 43. 65 C

ATOM 2267 O LEU C 65 -10.371 -6. 496 25. 579 1.00 43. 79 O

ATOM 2268 CB LEU C 65 -7.393 -7. 429 26. 608 1.00 44. 06 C

ATOM 2269 CG LEU C 65 -7.380 -7. 900 25. 146 1.00 44. 19 C

ATOM 2270 CDl LEU C 65 -6.826 -6. 840 24. 222 1.00 44. 37 C

ATOM 2271 CD2 LEU C 65 -6.586 -9. 175 25. 011 1.00 44. 22 C

ATOM 2272 N MET C 66 -10.476 -7. 868 27. 358 1.00 43. 20 N

ATOM 2273 CA MET C 66 -11.851 -8. 277 27. 089 1.00 42. 86 C

ATOM 2274 C MET C 66 -12.766 -7. 069 27. 208 1.00 42. 50 C

ATOM 2275 O MET C 66 -13.661 -6. 867 26. 383 1.00 42. 61 O

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#IO69l216 vl

ATOM 2276 CB MET C 66 -12.295 -9.385 28.043 1.00 42.92 C

ATOM 2277 CG MET C 66 -11 .561 -10 .706 27 .860 1 .00 43 .34 C

ATOM 2278 SD MET C 66 -11 .833 -11 .463 26 .243 1 .00 43 .58 S

ATOM 2279 CE MET C 66 -10 .545 -10 .710 25 .270 1 .00 43 .93 C

ATOM 2280 N GLU C 67 -12 .511 -6 .255 28 .226 1 .00 41 .89 N

ATOM 2281 CA GLU C 67 -13 .231 _ 5 .008 28 .401 1 .00 41 .53 C

ATOM 2282 C GLU C 67 -13 .032 -4 .095 27 .187 1 .00 41 .45 C

ATOM 2283 O GLU C 67 -13 .996 .511 26 .681 1 .00 41 .09 O

ATOM 2284 CB GLU C 67 -12 .792 -4 .313 29 .692 1 .00 41 .48 C

ATOM 2285 CG GLU C 67 -13 .709 -3 .193 30 .132 1 .00 40 .73 C

ATOM 2286 CD GLU C 67 -15 .070 -3 .672 30 .595 1 .00 40 .41 C

ATOM 2287 OEl GLU C 67 -15 .316 -4 .904 30 .676 1 .00 41 .30 O

ATOM 2288 OE2 GLU C 67 -15 .901 -2 .797 30 .895 1 .00 40 .10 O

ATOM 2289 N LEU C 68 -11 .782 -3 .994 26 .724 1 .00 41 .37 N

ATOM 2290 CA LEU C 68 -11 .447 -3 .208 25 .535 1 .00 41 .30 C

ATOM 2291 C LEU C 68 -12 .356 -3 .606 24 .370 1 .00 41 .28 C

ATOM 2292 O LEU C 68 -12 .890 -2 .741 23 .674 1 .00 41 .29 O

ATOM 2293 CB LEU C 68 -9 .966 _ ^ .382 25 .166 1 .00 41 .17 C

ATOM 2294 CG LEU C 68 -9 .301 -2 .535 24 .066 1 .00 41 .22 C

ATOM 2295 CDl LEU C 68 -7 .771 -2 .512 24 .213 1 .00 41 .02 C

ATOM 2296 CD2 LEU C 68 -9 .681 -2 .993 22 .674 1 .00 40 .83 C

ATOM 2297 N PHE C 69 -12 .548 -4 .912 24 .187 1 .00 41 .24 N

ATOM 2298 CA PHE C 69 -13 .346 _ ς .427 23 .081 1 .00 41 .27 C

ATOM 2299 C PHE C 69 -14 .823 -5 .140 23 .256 1 .00 41 .17 C

ATOM 2300 O PHE C 69 -15 .541 -4 .975 22 .280 1 .00 41 .34 O

ATOM 2301 CB PHE C 69 -13 .131 -6 .926 22 .905 1 .00 41 .58 C

ATOM 2302 CG PHE C 69 -11 .794 -7 .283 22 .332 1 .00 41 .97 C

ATOM 2303 CDl PHE C 69 -11 .346 -6. .695 21 .153 1 .00 42 .79 C

ATOM 2304 CD2 PHE C 69 -10 .988 -8. .217 22 .963 1 .00 41 .88 C

ATOM 2305 CEl PHE C 69 -10. .109 -7. .028 20 .620 1 .00 43 .09 C

ATOM 2306 CE2 PHE C 69 -9, .757 -8. .563 22 .437 1 .00 42 .27 C

ATOM 2307 CZ PHE C 69 -9. ,313 -7. 970 21. .265 1. .00 42 .86 C

ATOM 2308 N ARG C 70 -15. 279 -5. 093 24. .501 1, .00 40. .95 N

ATOM 2309 CA ARG C 70 -16. 653 -4. 718 24. .778 1. .00 40. .54 C

ATOM 2310 C ARG C 70 -16. 904 _ 2 242 24. .452 1. .00 40. .42 C

ATOM 2311 O ARG C 70 -18. 022 -2. 863 24. .126 1. .00 40. .77 O

ATOM 2312 CB ARG C 70 -17. 018 -5. 060 26. 220 1. 00 40. .50 C

ATOM 2313 CG ARG C 70 -17. 312 -6. 542 26. 409 1. 00 41. .00 C

ATOM 2314 CD ARG C 70 -17. 699 -6. 858 27. 826 1. 00 42. 50 C

ATOM 2315 NE ARG C 70 -16. 523 -7. 035 28. 675 1. 00 43. 90 N

ATOM 2316 CZ ARG C 70 -16. 194 -8. 179 29. 266 1. 00 43. 97 C

ATOM 2317 NHl ARG C 70 -16. 963 -9. 253 29. 114 1. 00 42. 65 N

ATOM 2318 NH2 ARG C 70 -15. 104 -8. 243 30. 023 1. 00 44. 31 N

ATOM 2319 N ILE C 71 -15. 853 -2. 428 24. 512 1. 00 40. 13 N

ATOM 2320 CA ILE C 71 -15. 924 -1. 014 24. 154 1. 00 39. 71 C

ATOM 2321 C ILE C 71 -15. 828 -0. 832 22. 640 1. 00 39. 86 C

ATOM 2322 O ILE C 71 -16. 795 -0. 419 22. 005 1. 00 40. 06 O

ATOM 2323 CB ILE C 71 -14. 815 -0. 180 24. 867 1. 00 39. 65 C

ATOM 2324 CGl ILE C 71 -14. 885 -0. 351 26. 395 1. 00 39. 11 C

ATOM 2325 CG2 ILE C 71 -14. 881 1. 295 24. 458 1. 00 39. 18 C

ATOM 2326 CDl ILE C 71 -16. 152 0. 177 27. 059 1. 00 37. 63 C

ATOM 2327 N GLY C 72 -14. 669 -1. 148 22. 066 1. 00 39. 77 N

ATOM 2328 CA GLY C 72 -14. 445 -0. 993 20. 627 1. 00 39. 87 C

ATOM 2329 C GLY C 72 -15. 184 -1. 946 19. 692 1. 00 40. 05 C

ATOM 2330 O GLY C 72 -15. 411 -1. 612 18. 525 1. 00 40. 25 O

ATOM 2331 N GLY C 73 -15. 551 -3. 129 20. 187 1. 00 39. 84 N

ATOM 2332 CA GLY C 73 -16. 158 -4. 162 19. 352 1. 00 39. 84 C

-141-

» 10691216 vl

ATOM 2333 C GLY C 73 -15.264 -5.373 19.138 1.00i 40 ^■ .23 C

ATOM 2334 O GLY C 73 -14 .055 -5.306 19 .350 1.00 39 ^■ .85 O

ATOM 2335 N LYS C 74 -15 .876 -6.481 18 .719 1.00 40 .81 N

ATOM 2336 CA LYS C 74 -15 .184 -7.745 18 .454 1.00 41 .58 C

ATOM 2337 C LYS C 74 -14 .336 -7.731 17 .178 1.00 41 .94 C

ATOM 2338 O LYS C 74 -14 .686 -7.100 16 .176 1.00 41 .96 O

ATOM 2339 CB LYS C 74 -16 .193 -8.891 18 .341 1.00 41 .64 C

ATOM 2340 CG LYS C 74 -16 .566 -9.581 19 .647 1.00 42 .75 C

ATOM 2341 CD LYS C 74 -17 .881 -10.345 19 .481 1.00 44 .07 C

ATOM 2342 CE LYS C 74 -17 .956 -11.580 20 .375 1.00 45 .73 C

ATOM 2343 NZ LYS C 74 -18 .236 -11.272 21 .811 1.00 46 .44 N

ATOM 2344 N SER C 75 -13 .219 -8.447 17 .235 1.00 42 .29 N

ATOM 2345 CA SER C 75 -12 .433 -8.758 16 .058 1.00 42 .69 C

ATOM 2346 C SER C 75 -13 .059 -9.997 15 .407 1.00 42 .76 C

ATOM 2347 O SER C 75 -13 .484 -10.914 16 .114 1.00 43 .02 O

ATOM 2348 CB SER C 75 -10 .990 -9.036 16 .477 1.00 42 .90 C

ATOM 2349 OG SER C 75 -10 .218 -9.562 15 .412 1.00 43 .45 O

ATOM 2350 N PRO C 76 -13 .114 -10.047 14 .062 1.00 42 .69 N

ATOM 2351 CA PRO C 76 -12 .564 -9.161 13 .037 1.00 42 .62 C

ATOM 2352 C PRO C 76 -13 .487 -8.027 12 .564 1.00 42 .59 C

ATOM 2353 O PRO C 76 -13 .108 -7.272 11 .661 1.00 42 .60 O

ATOM 2354 CB PRO C 76 -12 .331 -10.125 11 .879 1.00 42 .58 C

ATOM 2355 CG PRO C 76 -13 .458 -11.075 11 .985 1.00 42 .50 C

ATOM 2356 CD PRO C 76 -13 .821 -11.184 13 .446 1.00 42 .56 C

ATOM 2357 N ASP C 77 -14 .681 -7.919 13 .146 1.00 42 .44 N

ATOM 2358 CA ASP C 77 -15 .627 -6.871 12 .767 1.00 42 .23 C

ATOM 2359 C ASP C 77 -14 .995 -5.484 12 .860 1.00 42 .10 C

ATOM 2360 O ASP C 77 -14 .995 -4.729 11 .888 1.00 42 .12 O

ATOM 2361 CB ASP C 77 -16 .883 -6.951 13. .627 1.00 42 .32 C

ATOM 2362 CG ASP C 77 -17 .650 -8.232 13, .411 1.00 42 .55 C

ATOM 2363 ODl ASP C 77 -17 .595 -8.782 12. .286 1.00 43 .05 O

ATOM 2364 OD2 ASP C 77 -18. .316 -8.688 14. ,365 1.00 42. .94 O

ATOM 2365 N THR C 78 -14. .445 -5.170 14. , 029 1.00 41. .90 N

ATOM 2366 CA THR C 78 -13. .692 -3.938 14. 230 1.00 41. .79 C

ATOM 2367 C THR C 78 -12. 221 -4.181 13. 878 1.00 41. 98 C

ATOM 2368 O THR C 78 -11. 631 -5.178 14. 293 1.00 42. 26 O

ATOM 2369 CB THR C 78 -13. 810 -3.433 15. 702 1.00 41. 65 C

ATOM 2370 OGl THR C 78 -15. 192 -3.344 16. 083 1.00 40. 83 O

ATOM 2371 CG2 THR C 78 -13. 151 -2.070 15. 872 1.00 41. 04 C

ATOM 2372 N ASN C 79 -11. 632 -3.280 13. 105 1.00 42. 03 N

ATOM 2373 CA ASN C 79 -10. 201 -3.341 12. 852 1.00 42. 39 C

ATOM 2374 C ASN C 79 -9. 438 -2.691 13. 991 1.00 42. 99 C

ATOM 2375 O ASN C 79 -9. 787 -1.593 14. 442 1.00 43. 31 O

ATOM 2376 CB ASN C 79 -9. 838 -2.641 11. 542 1.00 42. 27 C

ATOM 2377 CG ASN C 79 -10. 612 -3.168 10. 365 1.00 41. 44 C

ATOM 2378 ODl ASN C 79 -10. 442 -4.319 9. 959 1.00 40. 90 O

ATOM 2379 ND2 ASN C 79 -11. 467 -2.324 9. 800 1.00 39. 82 N

ATOM 2380 N TYR C 80 -8. 388 -3.360 14. 453 1.00 43. 39 N

ATOM 2381 CA TYR C 80 -7. 571 -2.815 15. 520 1.00 43. 65 C

ATOM 2382 C TYR C 80 -6. 114 -2.661 15. 110 1.00 44. 15 C

ATOM 2383 O TYR C 80 -5. 592 -3.410 14. 276 1.00 44. 09 O

ATOM 2384 CB TYR C 80 -7. 643 -3.705 16. 759 1.00 43. 55 C

ATOM 2385 CG TYR C 80 -8. 934 -3.638 17. 541 1.00 43. 24 C

ATOM 2386 CDl TYR C 80 -9. 200 -2.569 18. 392 1.00 43. 31 C

ATOM 2387 CD2 TYR C 80 -9. 869 -4.666 17. 465 1.00 43. 57 C

ATOM 2388 CEl TYR C 80 -10. 374 -2.515 19. 135 1.00 43. 32 C

ATOM 2389 CE2 TYR C 80 -11. 048 -4.622 18.: 200 1.00 43. 99 C

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#10691216 vl

ATOM 2390 CZ TYR C 80 -11.293 -3.545 19.036 1.00 43.47 C

ATOM 2391 OH TYR C 80 -12 .457 -3 .498 19 .765 1 .00 42 .82 O

ATOM 2392 N LEU C 81 -5 .464 .678 15 .721 1 .00 44 .54 N

ATOM 2393 CA LEU C 81 -4 .032 -1 .505 15 .601 1 .00 44 .90 C

ATOM 2394 C LEU C 81 -3 .492 -1 .370 17 .017 1 .00 45 .23 C

ATOM 2395 O LEU C 81 — 3 .829 -0 .424 17 .739 1 .00 45 .61 O

ATOM 2396 CB LEU C 81 -3 .701 -0 .282 14 .721 1 .00 44 .98 C

ATOM 2397 CG LEU C 81 -2 .382 0 .495 14 .810 1 .00 44 .81 C

ATOM 2398 CDl LEU C 81 _ -^ .173 -0 .379 14 .582 1 .00 45 .62 C

ATOM 2399 CD2 LEU C 81 -2 .393 1 .620 13 .814 1 .00 44 .68 C

ATOM 2400 N PHE C 82 -2 .678 -2 .341 17 .416 1 .00 45 .27 N

ATOM 2401 CA PHE C 82 -2 .095 -2 .356 18 .752 1 .00 45 .29 C

ATOM 2402 C PHE C 82 -0 .664 -1 .846 18 .720 1 .00 45 .56 C

ATOM 2403 O PHE C 82 0 .109 -2 .199 17 .826 1 .00 45 .73 O

ATOM 2404 CB PHE C 82 -2 .148 -3 .766 19 .335 1 .00 44 .99 C

ATOM 2405 CG PHE C 82 -3 .513 -4 .183 19 .755 1 .00 44 .09 C

ATOM 2406 CDl PHE C 82 -4 .361 -4 .822 18 .863 1 .00 43 .30 C

ATOM 2407 CD2 PHE C 82 -3 .964 -3 .919 21 .041 1 .00 44 .22 C

ATOM 2408 CEl PHE C 82 -5 .634 -5 .210 19 .242 1 .00 43 .49 C

ATOM 2409 CE2 PHE C 82 _ CJ .244 -4 .300 21 .437 1 .00 45 .15 C

ATOM 2410 CZ PHE C 82 -6 .085 -4 .952 20 .528 1 .00 44 .21 C

ATOM 2411 N MET C 83 -0 .315 -1 .020 19 .698 1 .00 45 .70 N

ATOM 2412 CA MET C 83 0 .988 -0 .372 19 .698 1 .00 45 .96 C

ATOM 2413 C MET C 83 1 .990 -1 .010 20 .666 1 .00 45 .95 C

ATOM 2414 O MET C 83 2 .933 -0 .356 21 .091 1 .00 46 .34 O

ATOM 2415 CB MET C 83 0 .836 1 .127 19 .963 1 .00 45 .70 C

ATOM 2416 CG MET C 83 0 .092 1 .869 18 .865 1 .00 46 .16 C

ATOM 2417 SD MET C 83 0 .094 3 .673 19. .001 1 .00 46 .99 S

ATOM 2418 CE MET C 83 -0 .861 3 .892 20. .512 1. .00 46 .20 C

ATOM 2419 N GLY C 84 1. .798 -2. .286 21. .000 1. .00 45 .83 N

ATOM 2420 CA GLY C 84 2 .764 -3. .006 21. 833 1. .00 45 .34 C

ATOM 2421 C GLY C 84 2. .432 -3. .136 23. 313 1. .00 45. .24 C

ATOM 2422 O GLY C 84 1. .365 -2. .701 23. 776 1. .00 45. .35 O

ATOM 2423 N ASP C 85 3. .371 _ 2 .736 24. 047 1. 00 44. .78 N

ATOM 2424 CA ASP C 85 3. .243 -4. .029 25. 477 1. 00 44. ,23 C

ATOM 2425 C ASP C 85 2. .012 -4. 883 25. 777 1. 00 44. .22 C

ATOM 2426 O ASP C 85 1. 067 -4. 459 26. 450 1. 00 44. ,01 O

ATOM 2427 CB ASP C 85 3. 338 -2. 756 26. 328 1. 00 44. 04 C

ATOM 2428 CG ASP C 85 4. 762 -2. 206 26. 394 1. 00 44. 29 C

ATOM 2429 ODl ASP C 85 5. 606 -2. 570 25. 547 1. 00 44. 91 O

ATOM 2430 OD2 ASP C 85 5. 059 -1. 406 27. 298 1. 00 45. 30 O

ATOM 2431 N TYR C 86 2. 073 -6. 108 25. 251 1. 00 44. 15 N

ATOM 2432 CA TYR C 86 1. 026 _ ₇ 116 25. 349 1. 00 44. 02 C

ATOM 2433 C TYR C 86 1. 256 -7. 949 26. 582 1. 00 44. 36 C

ATOM 2434 O TYR C 86 0. 348 -8. 634 27. 076 1. 00 44. 54 O

ATOM 2435 CB TYR C 86 1. 060 -8. 016 24. 112 1. 00 43. 63 C

ATOM 2436 CG TYR C 86 1. 105 -7. 224 22. 834 1. 00 43. 45 C

ATOM 2437 CDl TYR C 86 0. 117 -6. 279 22. 557 1. 00 44. 08 C

ATOM 2438 CD2 TYR C 86 2. 138 -7. 388 21. 920 1. 00 42. 41 C

ATOM 2439 CEl TYR C 86 0. 144 -5. 532 21. 404 1. 00 44. 53 C

ATOM 2440 CE2 TYR C 86 2. 176 -6. 636 20. 752 1. 00 43. 42 C

ATOM 2441 CZ TYR C 86 1. 169 -5. 708 20. 500 1. 00 43. 76 C

ATOM 2442 OH TYR C 86 1. 166 -4. 935 19. 362 1. 00 43. 04 O

ATOM 2443 N VAL C 87 2. 489 -7. 889 27. 069 1. 00 44. 49 N

ATOM 2444 CA VAL C 87 2. 899 -8. 656 28. 235 1. 00 44. 55 C

ATOM 2445 C VAL C 87 3. 450 -7. 711 29. 302 1. 00 44. 90 C

ATOM 2446 O VAL C 87 3. 983 -6. 640 28. 976 1. 00 44. 78 O

-143- f/ 1069 I 2 ! 6 v l

ATOM 2447 CB VAL C 87 3.930 -9'.772 27.858 1.00 44.47 C

ATOM 2448 CGl . VAL C 87 3 .287 -10 .817 26 .951 1 .00 43 .43 C

ATOM 2449 CG2 VAL C 87 5 .176 -9 .184 27 .202 1 .00 43 .80 C

ATOM 2450 N ASP C 88 3 .271 -8 .093 30 .567 1 .00 45 .10 N

ATOM 2451 CA ASP C 88 3 .845 _ ₇ .371 31 .704 1 .00 45 .51 C

ATOM 2452 C ASP C 88 4 .018 -8 .356 32 .847 1 .00 45 .70 C

ATOM 2453 O ASP C 88 4 .815 -9 .280 32 .729 1 .00 45 .92 O

ATOM 2454 CB ASP C 88 2 .995 -6 .164 32 .107 1 .00 45 .45 C

ATOM 2455 CG ASP C 88 3 .583 -5 .386 33 .284 1 .00 46 .60 C

ATOM 2456 ODl ASP C 88 2 .805 -5 .006 34 .185 1 .00 48 .82 O

ATOM 2457 OD2 ASP C 88 4 .809 -5 .154 33 .328 1 .00 46 .84 O

ATOM 2458 N ARG C 89 3 .271 -8 .189 33 .934 1 .00 45 .98 N

ATOM 2459 CA ARG C 89 3 .413 -9 .083 35 .089 1 .00 46 .35 C

ATOM 2460 C ARG C 89 2 .910 -10 .507 34 .775 1 .00 46 .44 C

ATOM 2461 O ARG C 89 2 .205 -10 .725 33 .784 1 .00 46 .52 O

ATOM 2462 CB ARG C 89 2 .723 -8 .493 36 .330 1 .00 46 .49 C

ATOM 2463 CG ARG C 89 3 .016 -7 .009 36 .597 1 .00 47 .06 C

ATOM 2464 CD ARG C 89 4 .433 -6 .768 37 .105 1 .00 48 .74 C

ATOM 2465 NE ARG C 89 5 .103 -5 .700 36 .356 1 .00 50 .76 N

ATOM 2466 CZ ARG C 89 5 .353 -4 .472 36 .817 1 .00 52 .13 C

ATOM 2467 NHl ARG C 89 4 .999 -4 .122 38 .054 1 .00 51 .26 N

ATOM 2468 NH2 ARG C 89 5 .973 -3 .586 36 .037 1 .00 52 .24 N

ATOM 2469 N GLY C 90 3 .285 -11 .473 35 .612 1 .00 46 .55 N

ATOM 2470 CA GLY C 90 3 .006 -12 .883 35 .339 1 .00 46 .41 C

ATOM 2471 C GLY C 90 1 .673 -13 .442 35 .809 1 .00 46 .55 C

ATOM 2472 O GLY C 90 1 .628 -14 .553 36 .344 1 .00 46 .78 O

ATOM 2473 N TYR C 91 0 .583 -12 .702 35 .608 1 .00 46 .55 N

ATOM 2474 CA TYR C 91 -0 .747 -13 .200 36 .002 1 .00 46 .60 C

ATOM 2475 C TYR C 91 -1 .508 -13 .853 34 .837 1. .00 46 .10 C

ATOM 2476 O TYR C 91 -1 .782 -15. .051 34 .875 1. .00 46 .00 O

ATOM 2477 CB TYR C 91 ~ X , .614 -12 .103 36. .639 1. .00 47 .15 C

ATOM 2478 CG TYR C 91 -0 .941 -11. .216 37, .662 1. , 00 47 .66 C

ATOM 2479 CDl TYR C 91 -0. .520 -9. .935 37. .313 1. .00 47, .96 C

ATOM 2480 CD2 TYR C 91 -0. .753 -11. .640 38. .985 1. 00 48. .34 C

ATOM 2481 CEl TYR C 91 0. .082 -9. .090 38. ,237 1. 00 48. .19 C

ATOM 2482 CE2 TYR C 91 -0. .145 -10. .799 39. .930 1. 00 48. .80 C

ATOM 2483 CZ TYR C 91 0. 270 -9. 519 39. 539 1. 00 48. 81 C

ATOM 2484 OH TYR C 91 0. 874 -8. 655 40. 434 1. 00 48. 84 O

ATOM 2485 N TYR C 92 -1. 845 -13. 056 33. 818 1. 00 45. 51 N

ATOM 2486 CA TYR C 92 -2. 588 -13. 523 32. 643 1. 00 45. 04 C

ATOM 2487 C TYR C 92 -1. 937 -13. 063 31. 327 1. 00 44. 97 C

ATOM 2488 O TYR C 92 -2. 602 -12. 972 30. 287 1. 00 45. 08 O

ATOM 2489 CB TYR C 92 -4. 052 -13. 062 32. 708 1. 00 44. 94 C

ATOM 2490 CG TYR C 92 -4. 797 -13. 503 33. 954 1. 00 44. 98 C

ATOM 2491 CDl TYR C 92 -4. 922 -12. 648 35. 053 1. 00 44. 51 C

ATOM 2492 CD2 TYR C 92 -5. 379 -14. 774 34. 035 1. 00 44. 42 C

ATOM 2493 CEl TYR C 92 -5. 597 -13. 043 36. 207 1. 00 44. 29 C

ATOM 2494 CE2 TYR C 92 -6. 060 -15. 183 35. 186 1. 00 44. 57 C

ATOM 2495 CZ TYR C 92 -6. 165 -14. 310 36. 269 1. 00 45. 15 C

ATOM 2496 OH TYR C 92 -6. 836 -14. 701 37. 416 1. 00 45. 54 O

ATOM 2497 N SER C 93 634 -12. 787 31. 375 1. 00 44. 70 N

ATOM 2498 CA SER C 93 0. 101 -12. 293 30. 210 1. 00 44. 44 C

ATOM 2499 C SER C 93 0. 107 -13. 272 29. 040 1. 00 44. 41 C

ATOM 2500 O SER C 93 0. 067 -12. 856 27. 882 1. 00 44. 29 O

ATOM 2501 CB SER C 93 1. 534 -11. 915 30. 591 1. 00 44. 34 C

ATOM 2502 OG SER i C 93 1. 620 -10. 561 30. 999 1. 00 44. 20 O

ATOM 2503 N VAL < - 94 0. 154 -14. 568 29. 351 1. 00 44. 39 N

-144- tf 10691216 v l

ATOM 2504 CA VAL C 94 0.166 -15.621 28.328 1.00 44.17 C

ATOM 2505 C VAL C 94 -1 .100 -15 .564 27 .469 1 .00 44 .25 C

ATOM 2506 O VAL C 94 -1 .019 -15 .483 26 .240 1 .00 44 .33 O

ATOM 2507 CB VAL C 94 0 .342 -17 .045 28 .939 1 .00 44 .11 C

ATOM 2508 CGl VAL C 94 0 .279 -18 .110 27 .857 1 .00 43 .33 C

ATOM 2509 CG2 VAL C 94 1 .656 -17 .153 29 .700 1 .00 43 .76 C

ATOM 2510 N GLU C 95 -2 .260 -15 .586 28 .125 1 .00 44 .09 N

ATOM 2511 CA GLU C 95 -3 .553 -15 .573 27 .436 1 .00 43 .88 C

ATOM 2512 C GLU C 95 ~ 3 .702 -14 .313 26 .584 1 .00 43 .61 C

ATOM 2513 O GLU C 95 -4 .184 -14 .376 25 .449 1 .00 43 .46 O

ATOM 2514 CB GLU C 95 -4 .712 -15 .674 28 .438 1 .00 43 .86 C

ATOM 2515 CG GLU C 95 -4 .790 -16 .989 29 .208 1 .00 44 .40 C

ATOM 2516 CD GLU C 95 -3 .859 -17 .050 30 .427 1 .00 45 .66 C

ATOM 2517 OEl GLU C 95 -3 .036 -16 .127 30 .640 1 .00 45 .24 O

ATOM 2518 OE2 GLU C 95 -3 .958 -18 .043 31 .182 1 .00 46 .14 O

ATOM 2519 N THR C 96 -3 .264 -13 .185 27 .141 1 .00 43 .14 N

ATOM 2520 CA THR C 96 -3 .351 -11 .892 26 .482 1 .00 42 .88 C

ATOM 2521 C THR C 96 -2 .576 -11 .875 25 .165 1 .00 42 .93 C

ATOM 2522 O THR C 96 _ 2 .108 -11 .475 24 .116 1 .00 43 .13 O

ATOM 2523 CB THR C 96 -2 .802 -10 .776 27 .383 1 .00 42 .82 C

ATOM 2524 OGl THR C 96 -3 .338 -10 .908 28 .704 1 .00 42 .74 O

ATOM 2525 CG2 THR C 96 -3 .169 -9 .432 26 .832 1 .00 42 .56 C

ATOM 2526 N VAL C 97 -1 .318 -12 .300 25 .219 1 .00 42 .74 N

ATOM 2527 CA VAL C 97 -0 .486 -12 .285 24 .028 1 .00 42 .63 C

ATOM 2528 C VAL C 97 -0 .946 -13 .378 23 .068 1 .00 42 .56 C

ATOM 2529 O VAL C 97 -1 .142 -13 .111 21 .880 1 .00 42 .93 O

ATOM 2530 CB VAL C 97 1 .036 -12 .364 24 .356 1 .00 42 .74 C

ATOM 2531 CGl VAL C 97 1 .450 -13 .763 24 .840 1 .00 42 .77 C

ATOM 2532 CG2 VAL C 97 1 .870 -11 .930 23 .157 1 .00 42 .77 C

ATOM 2533 N THR C 98 -1. .166 -14 .584 23. .590 1 .00 41 .94 N

ATOM 2534 CA THR C 98 -1. .578 -15 .703 22. .759 1 .00 41 .93 C

ATOM 2535 C THR C 98 -2. .852 -15 .389 21. .973 1. .00 41 .82 C

ATOM 2536 O THR C 98 -2. .969 -15 .774 20. .810 1. .00 41. .92 O

ATOM 2537 CB THR C 98 -1. .772 -16 .994 23. .570 1. .00 42 , .01 C

ATOM 2538 OGl THR C 98 -0. .662 -17. .177 24. 453 1. .00 42. .45 O

ATOM 2539 CG2 THR C 98 -1. 860 -18. .188 22. 648 1. .00 41. .79 C

ATOM 2540 N LEU C 99 -3. 791 -14. .685 22. 604 1. 00 41. 54 N

ATOM 2541 CA LEU C 99 -5. 024 -14. .281 21. 931 1. 00 41. 13 C

ATOM 2542 C LEU C 99 -4. 758 -13. 309 20. 780 1. 00 41. 43 C

ATOM 2543 O LEU C 99 _ ^ 210 -13. 533 19. 659 1. 00 41. 61 O

ATOM 2544 CB LEU C 99 -6. 013 -13. 685 22. 929 1. 00 40. 96 C

ATOM 2545 CG LEU C 99 -7. 288 -13. 002 22. 423 1. 00 40. 56 C

ATOM 2546 CDl LEU C 99 -8. 062 -13. 847 21. 407 1. 00 39. 27 C

ATOM 2547 CD2 LEU C 99 -8. 160 -12. 627 23. 614 1. 00 40. 41 C

ATOM 2548 N LEU C 100 -4. 014 -12. 244 21. 058 1. 00 41. 43 N

ATOM 2549 CA LEU C 100 _ 3 733 -11. 232 20. 049 1. 00 41. 51 C

ATOM 2550 C LEU C 100 -2. 947 -11. 788 18. 854 1. 00 41. 60 C

ATOM 2551 O LEU C 100 -3. 163 -11. 373 17. 705 1. 00 41. 64 O

ATOM 2552 CB LEU C 100 -3. 000 -10. 046 20. 679 1. 00 41. 74 C

ATOM 2553 CG LEU C 100 -3. 748 -9. 214 21. 734 1. 00 41. 35 C

ATOM 2554 CDl LEU C 100 -2. 757 -8. 407 22. 540 1. 00 40. 69 C

ATOM 2555 CD2 LEU C 100 -4. 765 -8. 294 21. 094 1. 00 40. 26 C

ATOM 2556 N VAL C 101 -2. 040 -12. 726 19. 128 1. 00 41. 37 N

ATOM 2557 CA VAL C 101 -1. 287 -13. 395 18. 072 1. 00 41. 05 C

ATOM 2558 C VAL C 101 -2. 240 -14. 284 17. 255 1. 00 41. 04 C

ATOM 2559 O VAL C 101 -2. 181 -14. 302 16. 019 1. 00 40. 76 O

ATOM 2560 CB VAL C 101 -0. 105 -14. 237 18. 644 1. 00 41. 07 C

-145-

» 10691216 vl

ATOM 2561 CGl. VAL C 101 0.484 -15.178 17.577 1.00- 41..11 C

ATOM 2562 CG2 : VAL C 101 0 .975 -13 .344 19 .201 1 .00 40 .38 C

ATOM 2563 N ALA C 102 _ 2 .124 -15 .000 17 .954 1 .00 40 .87 N

ATOM 2564 CA ALA C 102 -4 .074 -15 .901 17 .302 1 .00 40 .87 C

ATOM 2565 C ALA C 102 -4 .992 -15 .116 16 .387 1 .00 40 .77 C

ATOM 2566 O ALA C 102 -5 .338 -15 .587 15 .309 1 .00 40 .55 O

ATOM 2567 CB ALA C 102 -4 .886 -16 .695 18 .328 1 .00 40 .92 C

ATOM 2568 N LEU C 103 -5 .370 -13 .914 16 .819 1 .00 40 .77 N

ATOM 2569 CA LEU C 103 -6 .203 -13 .038 16 .007 1 .00 40 .74 C

ATOM 2570 C LEU C 103 -5 .484 -12 .608 14 .737 1 .00 40 .85 C

ATOM 2571 O LEU C 103 -6 .078 -12 .617 13 .657 1 .00 41 .04 O

ATOM 2572 CB LEU C 103 -6 .672 -11 .828 16 .806 1 .00 40 .50 C

ATOM 2573 CG LEU C 103 -7 .863 -12 .086 17 .730 1 .00 40 .68 C

ATOM 2574 CDl LEU C 103 -8 .320 -10 .784 18 .402 1 .00 40 .09 C

ATOM 2575 CD2 LEU C 103 -9 .018 -12 .757 16 .976 1 .00 40 .30 C

ATOM 2576 N LYS C 104 -4 .203 -12 .268 14 .877 1 .00 40 .83 N

ATOM 2577 CA LYS C 104 -3 .362 -11 .854 13 .754 1 .00 40 .80 C

ATOM 2578 C LYS C 104 -3 .189 -12 .958 12 .722 1 .00 40 .69 C

ATOM 2579 O LYS C 104 -3 .316 -12 .712 11 .524 1 .00 40 .64 O

ATOM 2580 CB LYS C 104 -1 .992 -11 .377 14 .256 1 .00 41 .08 C

ATOM 2581 CG LYS C 104 -1 .022 -10 .912 13 .164 1 .00 41 .05 C

ATOM 2582 CD LYS C 104 -1 .421 -9 .568 12 .559 1 .00 40 .39 C

ATOM 2583 CE LYS C 104 -0 .586 -9 .285 11 .329 1 .00 40 .20 C

ATOM 2584 NZ LYS C 104 -1 .052 — O .088 10 .580 1 .00 40 .38 N

ATOM 2585 N VAL C 105 -2 .892 -14 .165 13 .197 1 .00 40 .76 N

ATOM 2586 CA VAL C 105 -2 .750 -15 .342 12 .340 1 .00 40 .74 C

ATOM 2587 C VAL C 105 -4 .066 -15 .656 11 .616 1 .00 40 .91 C

ATOM 2588 O VAL C 105 -4 .067 -15 .950 10. .418 1 .00 41 .10 O

ATOM 2589 CB VAL C 105 -2 .249 -16 .564 13. .144 1 .00 40 .56 C

ATOM 2590 CGl VAL C 105 -2 .245 -17 .821 12. .288 1 .00 41 .03 C

ATOM 2591 CG2 VAL C 105 -0. .855 -16 .307 13. .673 1 .00 40 .68 C

ATOM 2592 N ARG C 106 -5. .178 -15. .570 12. ,343 1. .00 41. .08 N

ATOM 2593 CA ARG C 106 -6. .504 -15. .785 11. 773 1. .00 41. .26 C

ATOM 2594 C ARG C 106 -6. ,901 -14. .663 10. 809 1. ,00 41. .48 C

ATOM 2595 O ARG C 106 -7. 531 -14. .924 9. 782 1. .00 41. .28 O

ATOM 2596 CB ARG C 106 -7. 546 -15. .935 12. 893 1. 00 41. 20 C

ATOM 2597 CG ARG C 106 -8. 990 -16. .154 12. 436 1. 00 41. 43 C

ATOM 2598 CD ARG C 106 -9. 157 -17. 401 11. 568 1. 00 41. 75 C

ATOM 2599 NE ARG C 106 10. 544 -17. 621 11. 159 1. 00 42. 14 N

ATOM 2600 CZ ARG C 106 11. 088 -17. 158 10. 033 1. 00 43. 37 C

ATOM 2601 NHl ARG C 106 10. 372 -16. 437 9. 177 1. 00 42. 76 N

ATOM 2602 NH2 ARG C 106 12. 361 -17. 424 9. 756 1. 00 44. 14 N

ATOM 2603 N TYR C 107 -6. 523 -13. 427 11. 140 1. 00 41. 71 N

ATOM 2604 CA TYR C 107 -6. 963 -12. 258 10. 390 1. 00 42. 23 C

ATOM 2605 C TYR C 107 -5. 846 -11. 226 10. 130 1. 00 42. 83 C

ATOM 2606 O TYR C 107 -5. 760 -10. 202 10. 822 1. 00 42. 63 O

ATOM 2607 CB TYR C 107 -8. 113 -11. 572 11. 130 1. 00 42. 22 C

ATOM 2608 CG TYR C 107 -9. 334 -12. 412 11. 453 1. 00 42. 19 C

ATOM 2609 CDl TYR C 107 10. 119 -12. 983 10. 443 1. 00 42. 23 C

ATOM 2610 CD2 TYR C 107 -9. 738 -12. 588 12. 779 1. 00 42. 23 C

ATOM 2611 CEl TYR C 107 11. 265 -13. 738 10. 755 1. 00 42. 45 C

ATOM 2612 CE2 TYR C 107 10. 877 -13. 333 13. 101 1. 00 42. 03 C

ATOM 2613 CZ TYR C 107 11. 636 -13. 905 12. 092 1. 00 42. 32 C

ATOM 2614 OH TYR C 107 12. 757 -14. 635 12. 429 1. 00 41. 69 O

ATOM 2615 N ARG C 108 -5. 028 -11. 483 9. 107 1. 00 43. 67 N

ATOM 2616 CA ARG C 108 -3. 860 -10. 643 8. 757 1. 00 44. 27 C

ATOM 2617 C ARG C 108 -4. 220 -9. 186 8. 501 1. 00 44. 52 C

-146-

, ^• (10691216 v l

ATOM 2618 O ARG C 108 -3.538 -8.276 8.959 1.00 44.64 O

ATOM 2619 CB ARG C 108 .176 -11.166 7 .485 1.00 44 .40 C

ATOM 2620 CG ARG C 108 -2 .864 -12.646 7 .455 1.00 45 .36 C

ATOM 2621 CD ARG C 108 -2 .098 -12.987 6 .190 1.00 46 .65 C

ATOM 2622 NE ARG C 108 _ 2_ .826 -14.420 6 .084 1.00 48 .39 N

ATOM 2623 CZ ARG C 108 -0 .773 -14.942 5 .459 1.00 49 .67 C

ATOM 2624 NHl ARG C 108 0 .129 -14.147 4 .888 1.00 49 .87 N

ATOM 2625 NH2 ARG C 108 -0 .611 -16.262 5 .417 1.00 50 .25 N

ATOM 2626 N GLU C 109 -5 .287 -8.983 7 .738 1.00 45 .03 N

ATOM 2627 CA GLU C 109 -5 .694 -7.660 7 .299 1.00 45 .21 C

ATOM 2628 C GLU C 109 -6 .540 -6.952 8 .336 1.00 45 .26 C

ATOM 2629 O GLU C 109 -6 .808 -5.760 8 .191 1.00 45 .19 O

ATOM 2630 CB GLU C 109 -6 .477 -7.759 5 .983 1.00 45 .40 C

ATOM 2631 CG GLU C 109 -5 .773 -8.544 4 .887 1.00 46 .14 C

ATOM 2632 CD GLU C 109 -4 .368 -8.035 4 .617 1.00 47 .93 C

ATOM 2633 OEl GLU C 109 -4 .197 -6.807 4 .440 1.00 48 .33 O

ATOM 2634 OE2 GLU C 109 -3 .433 -8.866 4 .583 1.00 49 .02 O

ATOM 2635 N ARG C 110 -6 .963 -7.684 9 .371 1.00 45 .49 N

ATOM 2636 CA ARG C 110 -7 .906 -7.154 10 .364 1.00 45 .80 C

ATOM 2637 C ARG C 110 -7 .258 -6.552 11 .618 1.00 46 .21 C

ATOM 2638 O ARG C 110 -7 .867 -5.706 12 .282 1.00 46 .43 O

ATOM 2639 CB ARG C 110 -8 .958 -8.197 10 .745 1.00 45 .63 C

ATOM 2640 CG ARG C 110 -9 .838 -8.656 9 .588 1.00 45 .51 C

ATOM 2641 CD ARG C 110 -10 .725 -7.542 9 .038 1.00 45 .40 C

ATOM 2642 NE ARG C 110 -10 .743 -7.576 7 .578 1.00 46 .26 N

ATOM 2643 CZ ARG C 110 -10 .111 -6.712 6 .785 1.00 46 .63 C

ATOM 2644 NHl ARG C 110 -9 .421 -5.701 7 .292 1.00 48 .32 N

ATOM 2645 NH2 ARG C 110 -10 .180 -6.846 5 .472 1.00 46 .62 N

ATOM 2646 N ILE C 111 -6 .044 -6.987 11 .950 1.00 46 .32 N

ATOM 2647 CA ILE C 111 -5 .281 -6.323 13 .006 1.00 46 .65 C

ATOM 2648 C ILE C 111 -3 .807 -6.123 12 .697 1.00 46. .41 C

ATOM 2649 O ILE C 111 -3 .205 -6.868 11 .916 1.00 46. .29 O

ATOM 2650 CB ILE C 111 -5 .374 -7.017 14 .396 1.00 46. .97 C

ATOM 2651 CGl ILE C 111 -5 .004 -8.497 14 .320 1.00 47. .60 C

ATOM 2652 CG2 ILE C 111 -6, .727 -6.776 15. .041 1.00 47. 63 C

ATOM 2653 CDl ILE C 111 -4. .440 -8.987 15. .633 1.00 49. 99 C

ATOM 2654 N THR C 112 -3. ,245 -5.109 13. .347 1.00 46. 00 N

ATOM 2655 CA THR C 112 -1. 826 -4.839 13. 304 1.00 45. 63 C

ATOM 2656 C THR C 112 -1. 286 -4.779 14. 734 1.00 45. 43 C

ATOM 2657 O THR C 112 -1. 782 -4.022 15. 579 1.00 45. 11 O

ATOM 2658 CB THR C 112 -1. 542 -3.522 12. 559 1.00 45. 84 C

ATOM 2659 OGl THR C 112 ~2. 150 -3.568 11. 259 1.00 45. 54 O

ATOM 2660 CG2 THR C 112 -0. 039 -3.284 12. 418 1.00 45. 45 C

ATOM 2661 N ILE C 113 -0. 271 -5.592 14. 998 1.00 45. 18 N

ATOM 2662 CA ILE C 113 0. 366 -5.609 16. 310 1.00 45. 13 C

ATOM 2663 C ILE C 113 1. 834 -5.185 16. 229 1.00 44. 98 C

ATOM 2664 O ILE C 113 2. 676 -5.922 15. 718 1.00 45. 19 O

ATOM 2665 CB ILE C 113 0. 203 -6.990 17. 031 1.00 45. 15 C

ATOM 2666 CGl ILE C 113 0. 539 -8.150 16. 090 1.00 44. 88 C

ATOM 2667 CG2 ILE C 113 -1. 218 -7.136 17. 584 1.00 45. 17 C

ATOM 2668 CDl ILE C 113 0. 723 -9.472 16. 784 1.00 44. 97 C

ATOM 2669 N LEU C 114 2. 126 -3.983 16. 721 1.00 44. 69 N

ATOM 2670 CA LEU C 114 3. 492 -3.458 16. 723 1.00 44. 46 C

ATOM 2671 C LEU C 114 4. 307 -4.030 17. 883 1.00 44. 49 C

ATOM 2672 O LEU C 114 3. 781 -4.721 18. 750 1.00 44. 49 O

ATOM 2673 CB LEU C 114 3. 492 -1.919 16. 111 1.00 44. 31 C

ATOM 2674 CG LEU < C 114 2. 723 -1.106 15. 724 1.00 44. 18 C

-147-

B I069I2I6 vl

ATOM 2675 CD3. LEU ^■ C 114 3.021 0.385 15..833 1.00 43.04 C

ATOM 2676 CD2 : LEU ^' C 114 3 .016 -1.602 14 .313 1.00 44 .11 C

ATOM 2677 N ARG C 115 5 .601 -3.743 17 .890 1.00 44 .57 N

ATOM 2678 CA ARG C 115 6 .453 -4.139 18 .992 1.00 44 .45 C

ATOM 2679 C ARG C 115 6 .545 -3.037 20 .037 1.00 44 .35 C

ATOM 2680 O ARG C 115 6 .660 -1.857 19 .700 1.00 44 .23 O

ATOM 2681 CB ARG C 115 7 .842 -4.467 18 .473 1.00 44 .59 C

ATOM 2682 CG ARG C 115 8 .675 -5.289 19 .427 1.00 45 .13 C

ATOM 2683 CD ARG C 115 9 .962 -5.675 18 .771 1.00 46 .00 C

ATOM 2684 NE ARG C 115 10 .706 -6.639 19 .568 1.00 48 .05 N

ATOM 2685 CZ ARG C 115 11 .849 -7.201 19 .183 1.00 48 .48 C

ATOM 2686 NHl ARG C 115 12 .375 -6.899 17 .999 1.00 48 .50 N

ATOM 2687 NH2 ARG C 115 12 .461 -8.070 19 .978 1.00 47 .81 N

ATOM 2688 N GLY C 116 6 .490 -3.432 21 .307 1.00 44 .29 N

ATOM 2689 CA GLY C 116 6 .726 -2.515 22 .423 1.00 43 .64 C

ATOM 2690 C GLY C 116 8 .031 -2.867 23 .106 1.00 43 .46 C

ATOM 2691 O GLY C 116 8 .631 -3.900 22 .829 1.00 43 .34 O

ATOM 2692 N ASN C 117 8 .471 -2.006 24 .009 1.00 43 .51 N

ATOM 2693 CA ASN C 117 9 .656 -2.264 24 .815 1.00 43 .51 C

ATOM 2694 C ASN C 117 9 .538 -3.525 25 .693 1.00 43 .60 C

ATOM 2695 O ASN C 117 10 .548 -4.076 26 .142 1.00 43 .42 O

ATOM 2696 CB ASN C 117 9 .994 -1.027 25 .659 1.00 43 .31 C

ATOM 2697 CG ASN C 117 8 .991 -0.781 26 .788 1.00 43 .61 C

ATOM 2698 ODl ASN C 117 9 .388 -0.532 27 .930 1.00 43 .80 O

ATOM 2699 ND2 ASN C 117 7 .694 -0.857 26 .480 1.00 42 .46 N

ATOM 2700 N HIS C 118 8 .307 -3.975 25 .929 1.00 43 .89 N

ATOM 2701 CA HIS C 118 8 .057 -5.187 26 .719 1.00 44 .30 C

ATOM 2702 C HIS C 118 8 .244 -6.472 25 .931 1.00 44 .61 C

ATOM 2703 O HIS C 118 8 .551 -7.515 26 .502 1.00 44 .61 O

ATOM 2704 CB HIS C 118 6 .655 -5.153 27 .313 1.00 44 .25 C

ATOM 2705 CG HIS C 118 6. .561 -4.364 28 .579 1.00 44 .20 C

ATOM 2706 NDl HIS C 118 5. .774 -4.753 29 .640 1.00 43. .76 N

ATOM 2707 CD2 HIS C 118 7. .172 -3.218 28 .962 1.00 44. .16 C

ATOM 2708 CEl HIS C 118 5. .893 -3.875 30 .618 1.00 44. .29 C

ATOM 2709 NE2 HIS C 118 6. .734 -2.933 30. .232 1.00 45. .10 N

ATOM 2710 N GLU C 119 8. 057 -6.395 24. .621 1.00 45. .18 N

ATOM 2711 CA GLU C 119 8. 225 -7.547 23. .756 1.00 46. 00 C

ATOM 2712 C GLU C 119 9. 706 -7.821 23. .474 1.00 46. 42 C

ATOM 2713 O GLU C 119 10. 167 -7.759 22. 319 1.00 46. 34 O

ATOM 2714 CB GLU C 119 7. 439 -7.362 22. 461 1.00 46. 30 C

ATOM 2715 CG GLU C 119 5. 952 -7.634 22. 603 1.00 47. 33 C

ATOM 2716 CD GLU C 119 5. 231 -6.526 23. 322 1.00 48. 72 C

ATOM 2717 OEl GLU C 119 5. 145 -5.412 22. 762 1.00 48. 39 O

ATOM 2718 OE2 GLU C 119 4. 757 -6.775 24. 453 1.00 50. 38 O

ATOM 2719 N SER C 120 10. 431 -8.141 24. 548 1.00 46. 64 N

ATOM 2720 CA SER C 120 11. 871 -8.376 24. 508 1.00 46. 84 C

ATOM 2721 C SER C 120 12. 274 -9.447 25. 509 1.00 46. 80 C

ATOM 2722 O SER C 120 11. 641 -9.601 26. 549 1.00 46. 96 O

ATOM 2723 CB SER C 120 12. 621 -7.084 24. 836 1.00 46. 94 C

ATOM 2724 OG SER C 120 12. 170 -6.536 26. 069 1.00 47. 84 O

ATOM 2725 N ARG C 121 13. 340 - 10.173 25. 193 1.00 46. 78 N

ATOM 2726 CA ARG C 121 13. 911 - 11.151 26. 103 1.00 46. 69 C

ATOM 2727 C ARG C 121 14. 304 - 10.488 27. 423 1.00 46. 92 C

ATOM 2728 O ARG C 121 14. 143 - 11.081 28. 493 1.00 46. 75 O

ATOM 2729 CB ARG C 121 15. 127 - 11.820 25. 458 1.00 46. 58 C

ATOM 2730 CG ARG C 121 14. 773 - 12.794 24. 352 1.00 46. 38 C

ATOM 2731 CD ARG C 121 15. 934 - 13.030 23,. 397 1.00 46. 31 C

-148- tf I0691216 v l

ATOM 2732 NE ARG C 121 15.480 -13.628 22.142 1.00 46.13 N

ATOM 2733 CZ ARG C 121 15 .010 -12 .941 21 .099 1 .00 46 .38 C

ATOM 2734 NHl . ARG C 121 14 .928 -11 .615 21 .139 1 .00 45 .86 N

ATOM 2735 NH2 ARG C 121 14 .611 -13 .587 20 .011 1 .00 46 .30 N

ATOM 2736 N GLN C 122 14 .798 -9 .253 27 .332 1 .00 47 .18 N

ATOM 2737 CA GLN C 122 15 .299 -8 .516 28 .486 1 .00 47 .73 C

ATOM 2738 C GLN C 122 14 .226 -8 .322 29 .565 1 .00 47 .76 C

ATOM 2739 O GLN C 122 14 .336 -8 .861 30 .668 1 .00 47 .93 O

ATOM 2740 CB GLN C 122 15 .858 -7 .164 28 .043 1 .00 47 .98 C

ATOM 2741 CG GLN C 122 16 .846 -6 .533 29 .036 1 .00 49 .38 C

ATOM 2742 CD GLN C 122 16 .758 -5 .001 29 .108 1 .00 50 .99 C

ATOM 2743 OEl GLN C 122 16 .196 -4 .338 28 .223 1 .00 51 .61 O

ATOM 2744 NE2 GLN C 122 17 .318 -4 .437 30 .175 1 .00 51 .04 N

ATOM 2745 N ILE C 123 13 .181 -7 .571 29 .232 1 .00 47 .76 N

ATOM 2746 CA ILE C 123 12 .125 -7 .245 30 .187 1 .00 47 .66 C

ATOM 2747 C ILE C 123 11 .259 -8 .445 30 .605 1 .00 47 .64 C

ATOM 2748 O ILE C 123 10 .976 -8 .619 31 .798 1 .00 47 .74 O

ATOM 2749 CB ILE C 123 11 .280 -6 .043 29 .691 1 .00 47 .66 C

ATOM 2750 CGl ILE C 123 12 .055 -4 .741 29 .927 1 .00 47 .56 C

ATOM 2751 CG2 ILE C 123 9 .922 -5 .991 30 .379 1 .00 47 .52 C

ATOM 2752 CDl ILE C 123 11 .310 -3 .479 29 .526 1 .00 47 .97 C

ATOM 2753 N THR C 124 10 .870 -9 .282 29 .640 1 .00 47 .35 N

ATOM 2754 CA THR C 124 10 .057 -10 .481 29 .926 1 .00 47 .05 C

ATOM 2755 C THR C 124 10 .674 -11 .448 30 .933 1 .00 46 .85 C

ATOM 2756 O THR C 124 9 .950 -12 .075 31 .703 1 .00 46 .55 O

ATOM 2757 CB THR C 124 9 .733 -11 .295 28 .661 1 .00 47 .05 C

ATOM 2758 OGl THR C 124 10 .951 -11 .618 27 .971 1 .00 46 .44 O

ATOM 2759 CG2 THR C 124 8 .766 -10 .530 27 .747 1 .00 46 .87 C

ATOM 2760 N GLN C 125 12 .000 -11 .580 30 .914 1 .00 46 .90 N

ATOM 2761 CA GLN C 125 12 .687 -12 .490 31 .836 1 .00 47 .27 C

ATOM 2762 C GLN C 125 12 .545 -12 .011 33 .265 1 .00 47 .12 C

ATOM 2763 O GLN C 125 12 .456 -12. .805 34 .194 1 .00 46 .80 O

ATOM 2764 CB GLN C 125 14. .172 -12. .640 31 .480 1. .00 47. .16 C

ATOM 2765 CG GLN C 125 14. .518 -13. .978 30 .837 1. .00 47. .39 C

ATOM 2766 CD GLN C 125 15. .904 -14. .013 30. .183 1. .00 47. .88 C

ATOM 2767 OEl GLN C 125 16. .490 -15. 091 30. .013 1. .00 48. .62 O

ATOM 2768 NE2 GLN C 125 16. 427 -12. 840 29. , 806 1. 00 47. 72 N

ATOM 2769 N VAL C 126 12. 470 -10. 695 33. .406 1. 00 47. 38 N

ATOM 2770 CA VAL C 126 12. 616 -10. 019 34. 682 1. 00 47. 47 C

ATOM 2771 C VAL C 126 11. 291 -9. 495 35. 289 1. 00 47. 51 C

ATOM 2772 O VAL C 126 11. 177 -9. 394 36. 512 1. 00 47. 61 O

ATOM 2773 CB VAL C 126 13. 721 -8. 919 34. 536 1. 00 47. 53 C

ATOM 2774 CGl VAL C 126 13. 239 -7. 527 34. 932 1. 00 47. 78 C

ATOM 2775 CG2 VAL C 126 14. 991 -9. 330 35. 262 1. 00 47. 38 C

ATOM 2776 N TYR C 127 10. 297 -9. 192 34. 446 1. 00 47. 39 N

ATOM 2777 CA TYR C 127 9. 026 -8. 595 34. 911 1. 00 47. 28 C

ATOM 2778 C TYR C 127 7. 960 -9. 603 35. 321 1. 00 47. 09 C

ATOM 2779 O TYR C 127 7. 166 -9. 324 36. 222 1. 00 47. 17 O

ATOM 2780 CB TYR C 127 8. 437 -7. 622 33. 875 1. 00 47. 27 C

ATOM 2781 CG TYR C 127 8. 987 -6. 207 33. 935 1. 00 47. 55 C

ATOM 2782 CDl TYR C 127 10. 209 -5. 930 34. 552 1. 00 47. 60 C

ATOM 2783 CD2 TYR C 127 8. 295 -5. 145 33. 345 1. 00 48. 08 C

ATOM 2784 CEl TYR C 127 10. 720 -4. 639 34. 593 1. 00 47. 69 C

ATOM 2785 CE2 TYR C 127 8. 802 -3. 842 33. 380 1. 00 47. 91 C

ATOM 2786 CZ TYR C 127 10. 017 -3. 601 34. 006 1. 00 47. 73 C

ATOM 2787 OH TYR C 127 10. 538 -2. 329 34. 047 1. 00 47. 38 O

ATOM 2788 N GLY C 128 7. 923 -10. 756 34. 655 1. 00 46. 88 N

-149-

# 10691216 v l

ATOM 2789 CA GLY C 128 6: .976 -11.803 35.030 1.00 46 C

ATOM 2790 C GLY C 128 6 .644 -12 .843 33 .981 1.00 46 .57 C

ATOM 2791 O GLY C 128 6 .384 -14 .003 34 .323 1.00 46 .36 O

ATOM 2792 N PHE C 129 6 .655 -12 .435 32 .709 1.00 46 .47 N

ATOM 2793 CA PHE C 129 6 .189 -13 .289 31 .610 1.00 46 .45 C

ATOM 2794 C PHE C 129 6 .876 -14 .653 31 .555 1.00 46 .49 C

ATOM 2795 O PHE C 129 6 .224 -15 .670 31 .309 1.00 46 .50 O

ATOM 2796 CB PHE C 129 6 .301 -12 .576 30 .260 1.00 46 .30 C

ATOM 2797 CG PHE C 129 5 .666 -13 .330 29 .115 1.00 46 .66 C

ATOM 2798 CDl PHE C 129 4 .372 -13 .847 29 .227 1.00 46 .87 C

ATOM 2799 CD2 PHE C 129 6 .355 -13 .512 27 .918 1.00 46 .87 C

ATOM 2800 CEl PHE C 129 3 .780 -14 .544 28 .169 1.00 46 .93 C

ATOM 2801 CE2 PHE C 129 5 .769 -14 .210 26 .847 1.00 46 .76 C

ATOM 2802 CZ PHE C 129 4 .482 -14 .725 26 .974 1.00 46 .52 C

ATOM 2803 N TYR C 130 8 .185 -14 .661 31 .796 1.00 46 .55 N

ATOM 2804 CA TYR C 130 8 .974 -15 .884 31 .806 1.00 46 .61 C

ATOM 2805 C TYR C 130 8 .555 -16 .804 32 .951 1.00 46 .75 C

ATOM 2806 O TYR C 130 8 .487 -18 .016 32 .771 1.00 46 .81 O

ATOM 2807 CB TYR C 130 10 .462 -15 .552 31 .885 1.00 46 .52 C

ATOM 2808 CG TYR C 130 11 .374 -16 .755 31 .965 1.00 46 .76 C

ATOM 2809 CDl TYR C 130 11 .832 -17 .385 30 .807 1.00 47 .08 C

ATOM 2810 CD2 TYR C 130 11 .797 -17 .252 33 .196 1.00 46 .80 C

ATOM 2811 CEl TYR C 130 12 .681 -18 .485 30 .871 1.00 46 .73 C

ATOM 2812 CE2 TYR C 130 12 .644 -18 .354 33 .273 1.00 46 .95 C

ATOM 2813 CZ TYR C 130 13 .081 -18 .967 32 .108 1.00 46 .95 C

ATOM 2814 OH TYR C 130 13 .922 -20 .055 32 .182 1.00 46 .89 O

ATOM 2815 N ASP C 131 8 .272 -16 .224 34 .117 1.00 46 .99 N

ATOM 2816 CA ASP C 131 7 .761 -16 .975 35 .271 1.00 47 .14 C

ATOM 2817 C ASP C 131 6 .393 -17 .606 35 .002 1.00 46 .98 C

ATOM 2818 O ASP C 131 6 .146 -18 .750 35 .375 1.00 46 .82 O

ATOM 2819 CB ASP C 131 7 .684 -16. .078 36 .508 1.00 47 .36 C

ATOM 2820 CG ASP C 131 8 .994 -16. .018 37 .263 1.00 48 .16 C

ATOM 2821 ODl ASP C 131 9 .385 -17. .043 37 .856 1.00 49. .39 O

ATOM 2822 OD2 ASP C 131 9. .631 -14. ,945 37. .277 1.00 49. .49 O

ATOM 2823 N GLU C 132 5. .514 -16. ,850 34. .349 1.00 46. .93 N

ATOM 2824 CA GLU C 132 4. .180 -17. 327 34. .012 1.00 46. .81 C

ATOM 2825 C GLU C 132 4. ,247 -18. 550 33. 097 1.00 46. 72 C

ATOM 2826 O GLU C 132 3. 604 -19. 570 33. 368 1.00 46. 65 O

ATOM 2827 CB GLU C 132 3. 375 -16. 210 33. 356 1.00 46. 80 C

ATOM 2828 CG GLU C 132 1. 874 -16. 393 33. 464 1.00 47. 11 C

ATOM 2829 CD GLU C 132 1. 101 -15. 363 32. 670 1.00 47. 95 C

ATOM 2830 OEl GLU C 132 1. 628 -14. 251 32. 443 1.00 48. 38 O

ATOM 2831 OE2 GLU C 132 -0. 039 -15. 669 32. 269 1.00 48. 92 O

ATOM 2832 N CYS C 133 5. 039 -18. 436 32. 029 1.00 46. 56 N

ATOM 2833 CA CYS C 133 5. 323 -19. 544 31. 109 1.00 46. 49 C

ATOM 2834 C CYS C 133 5. 822 -20. 796 31. 843 1.00 46. 42 C

ATOM 2835 O CYS C 133 5. 538 -21. 924 31. 435 1.00 46. 45 O

ATOM 2836 CB CYS C 133 6. 364 -19. 121 30. 065 1.00 46. 41 C

ATOM 2837 SG CYS C 133 5. 850 -17. 810 28. 937 1.00 46. 23 S

ATOM 2838 N LEU C 134 6. 564 -20. 581 32. 927 1.00 46. 25 N

ATOM 2839 CA LEU C 134 7. 148 -21. 665 33. 706 1.00 46. 05 C

ATOM 2840 C LEU C 134 6. 081 -22. 370 34. 520 1.00 45. 78 C

ATOM 2841 O LEU C 134 6. 032 -23. 599 34. 556 1.00 45. 82 O

ATOM 2842 CB LEU C 134 8. 221 -21. 120 34. 646 1.00 46. 07 C

ATOM 2843 CG LEU ' C 134 9. 525 -21. 901 34. 708 1.00 46. 45 C

ATOM 2844 CDl LEU i 134 10. 562 -21. 183 33. 864 1.00 46. 22 C

ATOM 2845 CD2 LEU i 134 9. 995 -22. 041 36. 149 1.00 46. 70 C

-150-

#10691216 v l

ATOM 2846 N ARG C 135 5.231 -21.576 35.169 1.00 45.51 N

ATOM 2847 CA ARG C 135 4 .176 -22 .082 36 .039 1 .00 45 .31 C

ATOM 2848 C ARG C 135 3 .020 -22 .698 35 .247 1 .00 44 .95 C

ATOM 2849 O ARG C 135 2 .316 -23 .575 35 .742 1 .00 44 .93 O

ATOM 2850 CB ARG C 135 3 .682 -20 .958 36 .958 1 .00 45 .27 C

ATOM 2851 CG ARG C 135 2 .464 -21 .299 37 .835 1 .00 45 .75 C

ATOM 2852 CD ARG C 135 2 .128 -20 .172 38 .811 1 .00 45 .59 C

ATOM 2853 NE ARG C 135 2 .589 -18 .868 38 .332 1 .00 45 .78 N

ATOM 2854 CZ ARG C 135 1 .896 -18 .055 37 .538 1 .00 46 .16 C

ATOM 2855 NHl ARG C 135 0 .681 -18 .391 37 .117 1 .00 45 .68 N

ATOM 2856 NH2 ARG C 135 2 .428 -16 .894 37 .165 1 .00 45 .89 N

ATOM 2857 N LYS C 136 2 .841 -22 .249 34 .011 1 .00 44 .66 N

ATOM 2858 CA LYS C 136 1 .711 -22 .693 33 .197 1 .00 44 .30 C

ATOM 2859 C LYS C 136 2 .056 -23 .809 32 .197 1 .00 44 .11 C

ATOM 2860 O LYS C 136 1 .164 -24 .470 31 .670 1 .00 43 .94 O

ATOM 2861 CB LYS C 136 1 .042 -21 .489 32 .505 1 .00 44 .45 C

ATOM 2862 CG LYS C 136 0 .357 -20 .537 33 .498 1 .00 44 .18 C

ATOM 2863 CD LYS C 136 -0 .452 -19 .442 32 .827 1 .00 43 .68 C

ATOM 2864 CE LYS C 136 -1 .215 -18 .624 33 .864 1 .00 42 .16 C

ATOM 2865 NZ LYS C 136 -1 .905 -17 .457 33 .252 1 .00 41 .41 N

ATOM 2866 N TYR C 137 3 .346 -24 .021 31 .950 1 .00 43 .90 N

ATOM 2867 CA TYR C 137 3 .782 -25 .041 31 .000 1 .00 43 .69 C

ATOM 2868 C TYR C 137 4 .781 -26 .041 31 .568 1 .00 43 .85 C

ATOM 2869 O TYR C 137 4 .916 -27 .146 31 .038 1 .00 43 .95 O

ATOM 2870 CB TYR C 137 4 .344 -24 .398 29 .732 1 .00 43 .46 C

ATOM 2871 CG TYR C 137 3 .318 -23 .627 28 .953 1 .00 42 .77 C

ATOM 2872 CDl TYR C 137 2 .416 -24 .281 28 .118 1 .00 41 .89 C

ATOM 2873 CD2 TYR C 137 3 .239 -22 .239 29 .060 1 .00 42 .74 C

ATOM 2874 CEl TYR C 137 1 .460 -23 .571 27 .402 1 .00 42 .38 C

ATOM 2875 CE2 TYR C 137 2 .289 -21, .516 28 .347 1 .00 42 .66 C

ATOM 2876 CZ TYR C 137 1. .404 -22 , .187 27, .518 1 .00 42 .73 C

ATOM 2877 OH TYR C 137 0. .468 -21, .473 26, .811 1 .00 42 , .76 O

ATOM 2878 N GLY C 138 5. .474 -25. .656 32. .638 1, .00 44 , .05 N

ATOM 2879 CA GLY C 138 6. .461 -26. ,528 33. ,280 1, .00 44. .27 C

ATOM 2880 C GLY C 138 7. ,864 -26. ,268 32. ,762 1. .00 44. .38 C

ATOM 2881 O GLY C 138 8. 830 -26. 281 33. 528 1. .00 44. .64 O

ATOM 2882 N ASN C 139 7. 972 -26. 055 31. 453 1. 00 44. 23 N

ATOM 2883 CA ASN C 139 9. 210 -25. 610 30. 834 1. 00 44. 15 C

ATOM 2884 C ASN C 139 9. 115 -24. 112 30. 541 1. 00 44. 42 C

ATOM 2885 O ASN C 139 8. 298 -23. 405 31. 144 1. 00 44. 57 O

ATOM 2886 CB ASN C 139 9. 511 -26. 419 29. 563 1. 00 44. 00 C

ATOM 2887 CG ASN C 139 8. 382 -26. 363 28. 543 1. 00 43. 83 C

ATOM 2888 ODl ASN C 139 8. 113 -25. 321 27. 946 1. 00 44. 86 O

ATOM 2889 ND2 ASN C 139 7. 727 -27. 492 28. 329 1. 00 43. 09 N

ATOM 2890 N ALA C 140 9. 939 -23. 631 29. 616 1. 00 44. 36 N

ATOM 2891 CA ALA C 140 9. 940 -22. 222 29. 254 1. 00 44. 28 C

ATOM 2892 C ALA C 140 10. 093 -22. 043 27. 745 1. 00 44. 28 C

ATOM 2893 O ALA C 140 10. 400 -20. 941 27. 267 1. 00 44. 15 O

ATOM 2894 CB ALA C 140 11. 039 -21. 487 30. 008 1. 00 44. 32 C

ATOM 2895 N ASN C 141 9. 876 -23. 135 27. 007 1. 00 44. 16 N

ATOM 2896 CA ASN C 141 9. 851 -23. 115 25. 543 1. 00 44. 06 C

ATOM 2897 C ASN C 141 8. 891 -22. 050 25. 001 1. 00 44. 12 C

ATOM 2898 O ASN C 141 9. 171 -21. 418 23. 980 1. 00 44. 31 O

ATOM 2899 CB ASN C 141 9. 470 -24. 492 24. 985 1. 00 44. 02 C

ATOM 2900 CG ASN C 141 10. 460 -25. 596 25. 373 1. 00 44. 35 C

ATOM 2901 ODl ASN C 141 11. 569 -25. 332 25. 839 1. 00 45. 14 O

ATOM 2902 ND2 ASN C 141 10. 053 -26. 842 25. 173 1. 00 43. 62 N

-151-

# 10691216 vl

ATOM 2903 N VAL, C 142 7.775 -21.846 25.706 1.00 43.88 N

ATOM 2904 CA VAL C 142 6 .751 -20 .871 25 .322 1 .00 43 .67 C

ATOM 2905 C VAL C 142 7 .264 -19 .424 25 .431 1 .00 43 .75 C

ATOM 2906 O VAL C 142 6 .883 -18 .548 24 .640 1 .00 43 .63 O

ATOM 2907 CB VAL C 142 5 .456 -21 .094 26 .135 1 .00 43 .68 C

ATOM 2908 CGl VAL C 142 4 .543 -19 .881 26 .081 1 .00 43 .79 C

ATOM 2909 CG2 VAL C 142 4 .728 -22 .331 25 .624 1 .00 43 .30 C

ATOM 2910 N TRP C 143 8 .142 -19 .186 26 .400 1 .00 43 .73 N

ATOM 2911 CA TRP C 143 8 .853 -17 .917 26 .485 1 .00 43 .53 C

ATOM 2912 C TRP C 143 9 .752 -17 .737 25 .267 1 .00 43 .52 C

ATOM 2913 O TRP C 143 9 .870 -16 .630 24 .750 1 .00 43 .55 O

ATOM 2914 CB TRP C 143 9 .678 -17 .832 27 .772 1 .00 43 .41 C

ATOM 2915 CG TRP C 143 10 .531 -16 .603 27 .841 1 .00 43 .51 C

ATOM 2916 CDl TRP C 143 10 .153 -15 .361 28 .275 1 .00 43 .38 C

ATOM 2917 CD2 TRP C 143 11 .907 -16 .491 27 .455 1 .00 43 .50 C

ATOM 2918 NEl TRP C 143 11 .210 -14 .486 28 .183 1 .00 43 .21 N

ATOM 2919 CE2 TRP C 143 12 .299 -15 .153 27 .684 1 .00 43 .07 C

ATOM 2920 CE3 TRP C 143 12 .848 -17 .395 26 .938 1 .00 43 .40 C

ATOM 2921 CZ2 TRP C 143 13 .591 -14 .695 27 .417 1 .00 43 .03 C

ATOM 2922 CZ3 TRP C 143 14 .133 -16 .938 26 .670 1 .00 43 .22 C

ATOM 2923 CH2 TRP C 143 14 .492 -15 .599 26 .912 1 .00 43 .34 C

ATOM 2924 N LYS C 144 10 .373 -18 .830 24 .814 1 .00 43 .47 N

ATOM 2925 CA LYS C 144 11 .269 -18 .793 23 .658 1 .00 43 .41 C

ATOM 2926 C LYS C 144 10 .514 -18 .603 22 .344 1 .00 43 .29 C

ATOM 2927 O LYS C 144 10 .983 -17 .886 21 .459 1 .00 43 .18 O

ATOM 2928 CB LYS C 144 12 .151 -20 .047 23 .592 1 .00 43 .51 C

ATOM 2929 CG LYS C 144 13 .417 -19 .874 22 .746 1 .00 44 .28 C

ATOM 2930 CD LYS C 144 14 .348 -18 .850 23 .390 1 .00 46 .15 C

ATOM 2931 CE LYS C 144 14 .832 -17 .801 22 .390 1 .00 46 .82 C

ATOM 2932 NZ LYS C 144 14 .735 -16 .407 22 .943 1. .00 46. .01 N

ATOM 2933 N TYR C 145 9 .351 -19 .244 22 .224 1. .00 43. .16 N

ATOM 2934 CA TYR C 145 8 .519 -19. .133 21 .022 1. .00 43. .05 C

ATOM 2935 C TYR C 145 7. .914 -17. .731 20. .861 1. ,00 43. .20 C

ATOM 2936 O TYR C 145 7. .695 -17. .266 19. .741 1. .00 43. ,41 O

ATOM 2937 CB TYR C 145 7. .395 -20. .176 21. .018 1. ,00 42. ,93 C

ATOM 2938 CG TYR C 145 7. ,826 -21. .625 21. .163 1. 00 42. 84 C

ATOM 2939 CDl TYR C 145 7. .034 -22. .530 21. .870 1. 00 42. 76 C

ATOM 2940 CD2 TYR C 145 9. .012 -22. 093 20. 592 1. 00 42. 68 C

ATOM 2941 CEl TYR C 145 7. 408 -23. 867 22. 012 1. 00 42. 70 C

ATOM 2942 CE2 TYR C 145 9. 396 -23. 424 20. 727 1. 00 43. 14 C

ATOM 2943 CZ TYR C 145 8. 591 -24. 311 21. 440 1. 00 43. 23 C

ATOM 2944 OH TYR C 145 8. 966 -25. 640 21. 579 1. 00 42. 61 O

ATOM 2945 N PHE C 146 7. 638 -17. 063 21. 975 1. 00 43. 13 N

ATOM 2946 CA PHE C 146 7. 108 -15. 706 21. 919 1. 00 43. 03 C

ATOM 2947 C PHE C 146 8. 188 -14. 639 21. 747 1. 00 42. 85 C

ATOM 2948 O PHE C 146 7. 966 -13. 649 21. 053 1. 00 42. 81 O

ATOM 2949 CB PHE C 146 6. 231 -15. 404 23. 137 1. 00 43. 09 C

ATOM 2950 CG PHE C 146 4. 835 -15. 942 23. 024 1. 00 42. 90 C

ATOM 2951 CDl PHE C 146 3. 985 -15. 502 22. 011 1. 00 42. 82 C

ATOM 2952 CD2 PHE C 146 4. 362 -16. 876 23. 934 1. 00 43. 59 C

ATOM 2953 CEl PHE C 146 2. 689 -15. 989 21. 900 1. 00 42. 79 C

ATOM 2954 CE2 PHE C 146 3. 062 -17. 373 23. 839 1. 00 43. 81 C

ATOM 2955 CZ PHE C 146 2. 224 -16. 929 22. 816 1. 00 43. 70 C

ATOM 2956 N THR C 147 9. 349 -14. 835 22. 366 1. 00 42. 59 N

ATOM 2957 CA THR C 147 10. 418 -13. 842 22. 258 1. 00 42. 63 C

ATOM 2958 C THR C 147 11. 129 -13. 898 20. 912 1. 00 42. 63 C

ATOM 2959 O THR C 147 11. 603 -12. 869 20. 416 1. 00 42. 84 O

-152-

# 10691216 \ I

ATOM 2960 CB THR C 147 11.439 -13.900 23.417 1.00 42.56 C

ATOM 2961 OGl THR C 147 11 .866 -15 .252 23 .638 1 .00 42 .99 O

ATOM 2962 CG2 THR C 147 10 .828 -13 .328 24 .688 1 .00 42 .52 C

ATOM 2963 N ASP C 148 11 .201 -15 .093 20 .326 1 .00 42 .39 N

ATOM 2964 CA ASP C 148 11 .670 -15 .238 18 .953 1 .00 42 .21 C

ATOM 2965 C ASP C 148 10 .686 -14 .561 18 .011 1 .00 42 .06 C

ATOM 2966 O ASP C 148 11 .080 -14 .020 16 .986 1 .00 42 .23 O

ATOM 2967 CB ASP C 148 11 .842 -16 .717 18 .568 1 .00 42 .20 C

ATOM 2968 CG ASP C 148 13 .192 -17 .290 18 .991 1 .00 42 .16 C

ATOM 2969 ODl ASP C 148 14 .045 -16 .533 19 .508 1 .00 42 .42 O

ATOM 2970 OD2 ASP C 148 13 .406 -18 .505 18 .804 1 .00 41 .73 O

ATOM 2971 N LEU C 149 9 .407 -14 .584 18 .375 1 .00 41 .93 N

ATOM 2972 CA LEU C 149 8 .360 -13 .980 17 .563 1 .00 42 .03 C

ATOM 2973 C LEU C 149 8 .385 -12 .462 17 .653 1 .00 42 .12 C

ATOM 2974 O LEU C 149 8 .177 -11 .775 16 .656 1 .00 41 .99 O

ATOM 2975 CB LEU C 149 6 .982 -14 .501 17 .982 1 .00 41 .99 C

ATOM 2976 CG LEU C 149 5 .765 -13 .943 17 .237 1 .00 42 .31 C

ATOM 2977 CDl LEU C 149 5 .863 -14 .253 15 .746 1 .00 43 .35 C

ATOM 2978 CD2 LEU C 149 4 .462 -14 .485 17 .814 1 .00 42 .37 C

ATOM 2979 N PHE C 150 8 .637 -11 .946 18 .855 1 .00 42 .27 N

ATOM 2980 CA PHE C 150 8 .633 -10 .515 19 .083 1 .00 42 .26 C

ATOM 2981 C PHE C 150 9 .612 -9 .816 18 .154 1 .00 42 .49 C

ATOM 2982 O PHE C 150 9 .377 Q .684 17 .745 1 .00 42 .64 O

ATOM 2983 CB PHE C 150 8 .939 -10 .185 20 .547 1 .00 42 .36 C

ATOM 2984 CG PHE C 150 7 .885 -10 .657 21 .528 1 .00 41 .76 C

ATOM 2985 CDl PHE C 150 6 .555 -10 .796 21 .149 1 .00 41 .38 C

ATOM 2986 CD2 PHE C 150 8 .230 -10 .932 22 .848 1 .00 41 .27 C

ATOM 2987 CEl PHE C 150 5 .587 -11 .233 22 .073 1 .00 42 .25 C

ATOM 2988 CE2 PHE C 150 7 .273 -11 .360 23 .776 1 .00 41 .13 C

ATOM 2989 CZ PHE C 150 5 .950 -11 .512 23 .390 1 .00 41 .26 C

ATOM 2990 N ASP C 151 10 .692 -10 .513 17 .800 1 .00 42 .91 N

ATOM 2991 CA ASP C 151 11. .695 -10. .011 16 .848 1, .00 43. .16 C

ATOM 2992 C ASP C 151 11. .117 -9. .649 15 .476 1. .00 43. .41 C

ATOM 2993 O ASP C 151 11. .734 -8. .909 14 , .710 1. .00 43. .42 O

ATOM 2994 CB ASP C 151 12. .837 -11. .024 16. .693 1. .00 42. .87 C

ATOM 2995 CG ASP C 151 13. 690 -11. 140 17. .942 1. 00 42. 84 C

ATOM 2996 ODl ASP C 151 13. 316 -10. 552 18. .973 1. 00 43. 62 O

ATOM 2997 OD2 ASP C 151 14. 740 -11. 812 17. .903 1. 00 42. 40 O

ATOM 2998 N TYR C 152 9. 926 -10. 169 15. 187 1. 00 43. 89 N

ATOM 2999 CA TYR C 152 9. 284 -10. 027 13. 875 1. 00 43. 96 C

ATOM 3000 C TYR C 152 8. 193 -8. 957 13. 853 1. 00 43. 91 C

ATOM 3001 O TYR C 152 7. 788 -8. 507 12. 776 1. 00 44. 15 O

ATOM 3002 CB TYR C 152 8. 720 -11. 376 13. 412 1. 00 43. 95 C

ATOM 3003 CG TYR C 152 9. 768 -12. 293 12. 847 1. 00 44. 24 C

ATOM 3004 CDl TYR C 152 10. 545 -13. 100 13. 678 1. 00 44. 06 C

ATOM 3005 CD2 TYR C 152 9. 992 -12. 350 11. 468 1. 00 45. 46 C

ATOM 3006 CEl TYR C 152 11. 526 -13. 943 13. 146 1. 00 44. 76 C

ATOM 3007 CE2 TYR C 152 10. 967 -13. 183 10. 923 1. 00 44. 97 C

ATOM 3008 CZ TYR C 152 11. 730 -13. 976 11. 762 1. 00 44. 93 C

ATOM 3009 OH TYR C 152 12. 688 -14. 797 11. 208 1. 00 44. 36 O

ATOM 3010 N LEU C 153 7. 717 -8. 552 15. 029 1. 00 43. 67 N

ATOM 3011 CA LEU C 153 6. 725 -7. 482 15. 112 1. 00 43. 68 C

ATOM 3012 C LEU C 153 7. 240 -6. 243 14. 389 1. 00 43. 85 C

ATOM 3013 O LEU C 153 8. 408 -5. 880 14. 541 1. 00 44. 15 O

ATOM 3014 CB LEU C 153 6. 409 -7. 127 16. 565 1. 00 43. 48 C

ATOM 3015 CG LEU C 153 5. 720 -8. 167 17. 448 1. 00 43. 09 C

ATOM 3016 CDl LEU C 153 5. 878 -7. 823 18. 912 1. 00 42. 26 C

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ATOM 3017 CD2 LEU C 153 4.262 -8.262 17.094 1.00 43.18 C

ATOM 3018 N PRO C 154 6 .376 -5 .585 13 .599 1 .00 43 .88 N

ATOM 3019 CA PRO C 154 6 .812 -4 .342 12 .982 1 .00 43 .84 C

ATOM 3020 C PRO C 154 7 .006 -3 .311 14 .079 1 .00 43 .77 C

ATOM 3021 O PRO C 154 6 .408 -3 .442 15 .151 1 .00 43 .74 O

ATOM 3022 CB PRO C 154 5 .630 -3 .945 12 .096 1 .00 44 .01 C

ATOM 3023 CG PRO C 154 4 .743 -5 .145 12 .028 1 .00 43 .87 C

ATOM 3024 CD PRO C 154 4 .979 -5 .910 13 .268 1 .00 43 .87 C

ATOM 3025 N LEU C 155 7 .839 -2 .309 13 .816 1 .00 43 .82 N

ATOM 3026 CA LEU C 155 8 .196 _ -y .304 14 .816 1 .00 43 .81 C

ATOM 3027 C LEU C 155 7 .208 -0 .148 14 .823 1 .00 43 .90 C

ATOM 3028 O LEU C 155 6 .772 0 .315 15 .888 1 .00 43 .97 O

ATOM 3029 CB LEU C 155 9 .596 -0 .765 14 .543 1 .00 43 .76 C

ATOM 3030 CG LEU C 155 10 .737 -1 .769 14 .397 1 .00 43 .53 C

ATOM 3031 CDl LEU C 155 11 .970 .071 13 .825 1 .00 42 .27 C

ATOM 3032 CD2 LEU C 155 11 .037 -2 .438 15 .739 1 .00 42 .92 C

ATOM 3033 N THR C 156 6 .877 0 .320 13 .624 1 .00 43 .80 N

ATOM 3034 CA THR C 156 5 .957 1 .437 13 .445 1 .00 43 .81 C

ATOM 3035 C THR C 156 4 .854 1 .068 12 .448 1 .00 43 .90 C

ATOM 3036 O THR C 156 4 .893 -0 .003 11 .830 1 .00 44 .03 O

ATOM 3037 CB THR C 156 6 .687 2 .708 12 .939 1 .00 43 .78 C

ATOM 3038 OGl THR C 156 7 .183 2 .483 11 .612 1 .00 43 .51 O

ATOM 3039 CG2 THR C 156 7 .842 3 .101 13 .867 1 .00 43 .28 C

ATOM 3040 N ALA C 157 3 .878 1 .961 12 .302 1 .00 43 .65 N

ATOM 3041 CA ALA C 157 2 .775 1 .786 11 .371 1 .00 43 .44 C

ATOM 3042 C ALA C 157 2 .306 3 .150 10 .922 1 .00 43 .56 C

ATOM 3043 O ALA C 157 2 .449 4 .133 11 .646 1 .00 43 .62 O

ATOM 3044 CB ALA C 157 1 .639 1 .038 12 .020 1 .00 43 .36 C

ATOM 3045 N LEU C 158 1. .742 3 .206 9 .722 1 .00 43 .77 N

ATOM 3046 CA LEU C 158 1 .294 4 .459 9 .147 1 .00 43 .89 C

ATOM 3047 C LEU C 158 -0. .139 4 .322 8 .645 1 .00 44 .05 C

ATOM 3048 O LEU C 158 -0. .420 3 .533 7 .742 1 .00 44 .22 O

ATOM 3049 CB LEU C 158 2. .246 4 .875 8. .024 1 .00 44 .01 C

ATOM 3050 CG LEU C 158 1. .980 6, .167 7. .249 1. .00 44 .31 C

ATOM 3051 CDl LEU C 158 1. .957 7. .367 8. .186 1. .00 44. .04 C

ATOM 3052 CD2 LEU C 158 3. 007 6. .343 6. .122 1. .00 43. .61 C

ATOM 3053 N VAL C 159 -1. 043 5. .082 9. 252 1. .00 44. ,27 N

ATOM 3054 CA VAL C 159 -2. 460 5. 018 8. 909 1. 00 44. .36 C

ATOM 3055 C VAL C 159 -2. 755 6. 034 7. 810 1. 00 44. 75 C

ATOM 3056 O VAL C 159 -2. 601 7. 243 8. 009 1. 00 44. 88 O

ATOM 3057 CB VAL C 159 -3. 368 5. 234 10. 154 1. 00 44. 29 C

ATOM 3058 CGl VAL C 159 -4. 831 5. 070 9. 792 1. 00 43. 85 C

ATOM 3059 CG2 VAL C 159 -2. 997 4. 253 11. 246 1. 00 43. 48 C

ATOM 3060 N ASP C 160 -3. 153 5. 515 6. 647 1. 00 45. 21 N

ATOM 3061 CA ASP C 160 -3. 424 6. 298 5. 426 1. 00 45. 46 C

ATOM 3062 C ASP C 160 -2. 394 7. 379 5. 085 1. 00 45. 40 C

ATOM 3063 O ASP C 160 -2. 755 8. 475 4. 662 1. 00 45. 17 O

ATOM 3064 CB ASP C 160 -4. 846 6. 870 5. 454 1. 00 45. 67 C

ATOM 3065 CG ASP C 160 -5. 880 5. 865 4. 987 1. 00 46. 41 C

ATOM 3066 ODl ASP C 160 -6. 247 4. 972 5. 778 1. 00 46. 67 O

ATOM 3067 OD2 ASP C 160 -6. 320 5. 965 3. 821 1. 00 46. 76 O

ATOM 3068 N GLY C 161 -1. 117 7. 060 5. 280 1. 00 45. 66 N

ATOM 3069 CA GLY C 161 -0. 017 7. 988 5. 001 1. 00 45. 98 C

ATOM 3070 C GLY C 161 -0. 007 9. 301 5. 770 1. 00 46. 29 C

ATOM 3071 O GLY C 161 0. 660 10. 252 5. 360 1. 00 46. 37 O

ATOM 3072 N GLN C 162 -0. 727 9. 358 6. 890 1. 00 46. 50 N

ATOM 3073 CA GLN C 162 -0. 932 10. 618 7. 608 1. 00 46. 74 C

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ATOM 3074 C GLKt C' 162 -0.659 10.521 9.098 1.00 46.80 C

ATOM 3075 O GLKf C ¹ 162 -0 .023 11 .412 9 .673 1 .00 47 .08 O

ATOM 3076 CB GLN [ C 162 -2 .366 11 .102 7 .435 1 .00 46 .88 C

ATOM 3077 CG GLN ' C 162 -2 .690 11 .719 6 .105 1 .00 47 .26 C

ATOM 3078 CD GLN ^■ c 162 -4 .135 12 .151 6 .045 1 .00 48 .46 C

ATOM 3079 OEl GLN C 162 -4 .580 12 .981 6 .843 1 .00 49 .04 O

ATOM 3080 NE2 GLN C 162 -4 .886 11 .580 5 .110 1 .00 48 .90 N

ATOM 3081 N ILE C 163 -1 .169 9 .460 9 .722 1 .00 46 .56 N

ATOM 3082 CA ILE C 163 _ ^ .034 9 .274 11 .164 1 .00 46 .23 C

ATOM 3083 C ILE C 163 -0 .012 8 .181 11 .471 1 .00 45 .91 C

ATOM 3084 O ILE C 163 -0 .164 7 .031 11 .049 1 .00 45 .88 O

ATOM 3085 CB ILE C 163 — 2 .403 9 .004 11 .832 1 .00 46 .41 C

ATOM 3086 CGl ILE C 163 -3 .339 10 .199 11 .585 1 .00 46 .38 C

ATOM 3087 CG2 ILE C 163 -2 .238 8 .694 13 .343 1 .00 46 .22 C

ATOM 3088 CDl ILE C 163 -4 .787 9 .978 12 .010 1 .00 46 .42 C

ATOM 3089 N PHE C 164 1 .025 8 .568 12 .212 1 .00 45 .36 N

ATOM 3090 CA PHE C 164 2 .183 7 .728 12 .457 1 .00 44 .97 C

ATOM 3091 C PHE C 164 2 .095 7 .070 13 .833 1 .00 44 .94 C

ATOM 3092 O PHE C 164 1 .869 7 .747 14 .837 1 .00 45 .10 O

ATOM 3093 CB PHE C 164 3 .452 8 .574 12 .313 1 .00 44 .92 C

ATOM 3094 CG PHE C 164 4 .722 7 .835 12 .607 1 .00 44 .82 C

ATOM 3095 CDl PHE C 164 5 .081 6 .718 11 .874 1 .00 44 .47 C

ATOM 3096 CD2 PHE C 164 5 .570 8 .272 13 .620 1 .00 45 .04 C

ATOM 3097 CEl PHE C 164 6 .257 6 .035 12 .159 1 .00 44 .80 C

ATOM 3098 CE2 PHE C 164 6 .755 7 .601 13 .904 1 .00 44 .83 C

ATOM 3099 CZ PHE C 164 7 .098 6 .480 13 .175 1 .00 44 .85 C

ATOM 3100 N CYS C 165 2 .273 5 .750 13 .873 1 .00 44 .53 N

ATOM 3101 CA CYS C 165 2 .045 4. .980 15. .093 1 .00 44 .20 C

ATOM 3102 C CYS C 165 3. .242 4 , .162 15. .531 1, .00 44. .07 C

ATOM 3103 O CYS C 165 3. .894 3. .515 14. .723 1. .00 44. .18 O

ATOM 3104 CB CYS C 165 0. .842 4. .057 14. .920 1. .00 44. .33 C

ATOM 3105 SG CYS C 165 -0. .680 4. .920 14. .536 X , .00 43. .92 S

ATOM 3106 N LEU C 166 3. .501 4. .166 16. 830 1. .00 43. .89 N

ATOM 3107 CA LEU C 166 4. 648 3. 469 17. 392 1. 00 43. .95 C

ATOM 3108 C LEU C 166 4. 483 3. 438 18. 894 1. 00 44. .26 C

ATOM 3109 O LEU C 166 3. 707 4. 215 19. 443 1. 00 44. 98 O

ATOM 3110 CB LEU C 166 5. 949 4. 194 17. 023 1. 00 43. 87 C

ATOM 3111 CG LEU C 166 6. 307 5. 561 17. 633 1. 00 42. 79 C

ATOM 3112 CDl LEU C 166 7. 694 5. 938 17. 178 1. 00 41. 36 C

ATOM 3113 CD2 LEU C 166 5. 314 6. 669 17. 292 1. 00 41. 00 C

ATOM 3114 N HIS C 167 5. 216 2. 565 19. 570 1. 00 44. 28 N

ATOM 3115 CA HIS C 167 5. 101 2. 487 21. 015 1. 00 44. 24 C

ATOM 3116 C HIS C 167 5. 655 3. 712 21. 746 1. 00 44. 31 C

ATOM 3117 O HIS C 167 4. 922 4. 371 22. 484 1. 00 44. 61 O

ATOM 3118 CB HIS C 167 5. 737 1. 217 21. 564 1. 00 44. 06 C

ATOM 3119 CG HIS C 167 5. 418 0. 982 23. 002 1. 00 44. 31 C

ATOM 3120 NDl HIS C 167 6. 372 1. 031 23. 994 1. 00 45. 49 N

ATOM 3121 CD2 HIS C 167 4. 238 0. 743 23. 624 1. 00 44. 45 C

ATOM 3122 CEl HIS C 167 5. 796 0. 807 25. 163 1. 00 46. 03 C

ATOM 3123 NE2 HIS C 167 4. 500 0. 636 24. 966 1. 00 45. 04 N

ATOM 3124 N GLY C 168 6. 932 4. 018 21. 534 1. 00 44. 16 N

ATOM 3125 CA GLY C 168 7. 610 5. 061 22. 298 1. 00 43. 95 C

ATOM 3126 C GLY C 168 7. 562 6. 448 21. 678 1. 00 44. 08 C

ATOM 3127 O GLY C 168 6. 684 7. 269 22. 010 1. 00 43. 93 O

ATOM 3128 N GLY C 169 8. 524 6. 715 20. 793 1. 00 43. 93 N

ATOM 3129 CA GLY C 169 8. 639 8. 018 20. 148 1. 00 43. 80 C

ATOM 3130 C GLY C 169 9. 853 8. 209 19. 248 1. 00 43. 84 C

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#10691216 vl

ATOM 3131 O GLY C 169 10.457 7.241 18.766 1,.00 43.67 O

ATOM 3132 N LEU C 170 10 .217 9 .475 19 .054 1 .00 43 .53 N

ATOM 3133 CA LEU C 170 11 .185 9 .879 18 .046 1 .00 43 .37 C

ATOM 3134 C LEU C 170 12 .647 9 .626 18 .445 1 .00 43 .30 C

ATOM 3135 O LEU C 170 12 .959 9 .452 19 .623 1 .00 43 .11 O

ATOM 3136 CB LEU C 170 10 .933 11 .340 17 .652 1 .00 43 .44 C

ATOM 3137 CG LEU C 170 9 .474 11 .698 17 .289 1 .00 43 .81 C

ATOM 3138 CDl LEU C 170 9 .295 13 .191 17 .021 1 .00 43 .07 C

ATOM 3139 CD2 LEU C 170 8 .921 10 .863 16 .110 1 .00 43 .45 C

ATOM 3140 N SER C 171 13 .522 9 .589 17 .441 1 .00 43 .35 N

ATOM 3141 CA SER C 171 14 .945 9 .288 17 .612 1 .00 43 .46 C

ATOM 3142 C SER C 171 15 .803 10 .333 16 .924 1 .00 43 .35 C

ATOM 3143 O SER C 171 15 .440 10 .805 15 .846 1 .00 43 .36 O

ATOM 3144 CB SER C 171 15 .291 7 .912 17 .022 1 .00 43 .63 C

ATOM 3145 OG SER C 171 16 .704 7 .713 16 .940 1 .00 43 .29 O

ATOM 3146 N PRO C 172 16 .956 10 .686 17 .535 1 .00 43 .29 N

ATOM 3147 CA PRO C 172 17 .924 11 .586 16 .890 1 .00 43 .06 C

ATOM 3148 C PRO C 172 18 .640 10 .923 15 .707 1 .00 42 .92 C

ATOM 3149 O PRO C 172 19 .400 11 .584 14 .999 1 .00 42 .97 O

ATOM 3150 CB PRO C 172 18 .916 11 .902 18 .014 1 .00 42 .66 C

ATOM 3151 CG PRO C 172 18 .838 10 .733 18 .918 1 .00 43 .13 C

ATOM 3152 CD PRO C 172 17 .410 10 .264 18 .876 1 .00 43 .27 C

ATOM 3153 N SER C 173 18 .382 9 .632 15 .504 1 .00 42 .83 N

ATOM 3154 CA SER C 173 18 .980 8 .862 14 .419 1 .00 42 .65 C

ATOM 3155 C SER C 173 18 .004 8 .614 13 .273 1 .00 42 .65 C

ATOM 3156 O SER C 173 18 .357 7 .961 12 .291 1 .00 42 .75 O

ATOM 3157 CB SER C 173 19 .477 7 .522 14 .949 1 .00 42 .61 C

ATOM 3158 OG SER C 173 20 .436 7 .721 15 .962 1 .00 42 .45 O

ATOM 3159 N ILE C 174 16 .781 9 .122 13 .410 1 .00 42 .59 N

ATOM 3160 CA ILE C 174 15, .750 8. .964 12. .386 1. .00 42 .63 C

ATOM 3161 C ILE C 174 15. .064 10. .291 12. .071 1. .00 42 .72 C

ATOM 3162 O ILE C 174 14. .435 10. .904 12. .937 1. .00 42 , .53 O

ATOM 3163 CB ILE C 174 14. .720 7. .865 12. .778 1. ,00 42. .78 C

ATOM 3164 CGl ILE C 174 15. .326 6. .485 12. ,526 1. .00 42. .72 C

ATOM 3165 CG2 ILE C 174 13. .406 8. 013 11. 995 1. 00 42. .12 C

ATOM 3166 CDl ILE C 174 14. .846 5. 448 13. 464 1. 00 43. ,77 C

ATOM 3167 N ASP C 175 15. 209 10. 724 10. 822 1. 00 42. 84 N

ATOM 3168 CA ASP C 175 14. 576 11. 947 10. 337 1. 00 43. 03 C

ATOM 3169 C ASP C 175 13. 354 11. 610 9. 491 1. 00 42. 97 C

ATOM 3170 O ASP C 175 12. 320 12. 274 9. 584 1. 00 42. 99 O

ATOM 3171 CB ASP C 175 15. 557 12. 767 9. 502 1. 00 43. 07 C

ATOM 3172 CG ASP C 175 16. 845 13. 069 10. 237 1. 00 43. 71 C

ATOM 3173 ODl ASP C 175 16. 870 14. 053 11. 004 1. 00 44. 97 O

ATOM 3174 OD2 ASP C 175 17. 840 12. 337 10. 033 1. 00 44. 29 O

ATOM 3175 N THR C 176 13. 484 10. 569 8. 671 1. 00 42. 92 N

ATOM 3176 CA THR C 176 12. 447 10. 192 7. 709 1. 00 42. 76 C

ATOM 3177 C THR C 176 11. 925 8. 782 7. 960 1. 00 42. 63 C

ATOM 3178 O THR C 176 12. 576 7. 985 8. 634 1. 00 42. 66 O

ATOM 3179 CB THR C 176 12. 962 10. 271 6. 240 1. 00 42. 71 C

ATOM 3180 OGl THR C 176 13. 761 9. 119 5. 941 1. 00 42. 38 O

ATOM 3181 CG2 THR C 176 13. 778 11. 540 6. 002 1. 00 42. 44 C

ATOM 3182 N LEU C 177 10. 757 8. 483 7. 398 1. 00 42. 66 N

ATOM 3183 CA LEU C 177 10. 199 7. 133 7. 413 1. 00 42. 77 C

ATOM 3184 C LEU C 177 11. 111 6. 104 6. 736 1. 00 42. 94 C

ATOM 3185 O LEU < C 177 11. 195 4. 961 7. 195 1. 00 43. 18 O

ATOM 3186 CB LEU ■ C 177 8. 814 7. 115 6. 768 1. 00 42. 70 C

ATOM 3187 CG LEU ' C 177 7. 693 7. 893 7. 463 1. 00 43. 17 C

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410691216 Vl

ATOM 3188 CDl. LEU C 177 6.491 7.982 6.546 1.00 44.06 C

ATOM 3189 CD2 : LEU C 177 7 .292 7.274 8 .800 1 .00 43 .08 C

ATOM 3190 N ASP C 178 11 .791 6.512 5 .659 1 .00 42 .89 N

ATOM 3191 CA ASP C 178 12 .777 5.666 4 .978 1 .00 42 .91 C

ATOM 3192 C ASP C 178 13 .929 5.205 5 .874 1 .00 42 .84 C

ATOM 3193 O ASP C 178 14 .463 4.104 5 .684 1 .00 42 .67 O

ATOM 3194 CB ASP C 178 13 .358 6.384 3 .764 1 .00 43 .13 C

ATOM 3195 CG ASP C 178 12 .444 6.337 2 .566 1 .00 43 .69 C

ATOM 3196 ODl ASP C 178 11 .413 5.630 2 .621 1 .00 44 .71 O

ATOM 3197 OD2 ASP C 178 12 .765 7.013 1 .564 1 .00 43 .73 O

ATOM 3198 N HIS C 179 14 .322 6.056 6 .826 1 .00 42 .67 N

ATOM 3199 CA HIS C 179 15 .295 5.673 7 .854 1 .00 42 .46 C

ATOM 3200 C HIS C 179 14 .773 4.487 8 .667 1 .00 42 .26 C

ATOM 3201 O HIS C 179 15 .517 3.543 8 .936 1 .00 42 .32 O

ATOM 3202 CB HIS C 179 15 .661 6.852 8 .768 1 .00 42 .38 C

ATOM 3203 CG HIS C 179 16 .314 7.995 8 .050 1 .00 43 .02 C

ATOM 3204 NDl HIS C 179 17 .196 7.817 7 .004 1 .00 43 .40 N

ATOM 3205 CD2 HIS C 179 16 .218 9.333 8 .232 1 .00 43 .49 C

ATOM 3206 CEl HIS C 179 17 .607 8.994 6 .566 1 .00 43 .07 C

ATOM 3207 NE2 HIS C 179 17 .029 9.932 7 .295 1 .00 43 .32 N

ATOM 3208 N ILE C 180 13 .491 4.516 9 .026 1 .00 41 .78 N

ATOM 3209 CA ILE C 180 12 .904 3.397 9 .750 1 .00 41 .58 C

ATOM 3210 C ILE C 180 12 .858 2.167 8 .847 1 .00 41 .39 C

ATOM 3211 O ILE C 180 13 .180 1.058 9 .282 1 .00 41 .33 O

ATOM 3212 CB ILE C 180 11 .501 3.729 10 .329 1 .00 41 .74 C

ATOM 3213 CGl ILE C 180 11 .594 4.882 11 .331 1 .00 41 .63 C

ATOM 3214 CG2 ILE C 180 10 .890 2.510 11 .022 1 .00 41 .30 C

ATOM 3215 CDl ILE C 180 10 .282 5.622 11 .551 1 .00 42 .12 C

ATOM 3216 N ARG C 181 12. .485 2.372 7 .585 1. .00 41 .16 N

ATOM 3217 CA ARG C 181 12. .361 1.267 6 .634 1. .00 40 .86 C

ATOM 3218 C ARG C 181 13. .702 0.560 6 .443 1. .00 40 .80 C

ATOM 3219 O ARG C 181 13. .751 -0.663 6. .338 1. .00 40. .68 O

ATOM 3220 CB ARG C 181 11. .793 1.753 5. .299 1. .00 40. .71 C

ATOM 3221 CG ARG C 181 10. .309 2.107 5. .343 1. .00 40. .81 C

ATOM 3222 CD ARG C 181 9. 755 2.554 3. .979 1. 00 40. .92 C

ATOM 3223 NE ARG C 181 8. 398 3.095 4. .106 1. 00 41. .07 N

ATOM 3224 CZ ARG C 181 8. 060 4.375 3. .936 1. 00 41. 08 C

ATOM 3225 NHl ARG C 181 8. 961 5.289 3. 600 1. 00 41. 32 N

ATOM 3226 NH2 ARG C 181 6. 800 4.746 4. 090 1. 00 41. 18 N

ATOM 3227 N ALA C 182 14. 783 1.340 6. 441 1. 00 40. 79 N

ATOM 3228 CA ALA C 182 16. 139 0.827 6. 249 1. 00 40. 67 C

ATOM 3229 C ALA C 182 16. 665 -0.058 7. 391 1. 00 40. 86 C

ATOM 3230 O ALA C 182 17. 589 -0.849 7. 182 1. 00 40. 88 O

ATOM 3231 CB ALA C 182 17. 095 1.976 5. 996 1. 00 40. 59 C

ATOM 3232 N LEU C 183 16. 082 0.074 8. 584 1. 00 40. 90 N

ATOM 3233 CA LEU C 183 16. 531 -0.676 9. 766 1. 00 40. 82 C

ATOM 3234 C LEU C 183 16. 392 -2.193 9. 622 1. 00 40. 97 C

ATOM 3235 O LEU C 183 15. 541 -2.669 8. 874 1. 00 41. 04 O

ATOM 3236 CB LEU C 183 15. 774 -0.209 11. 014 1. 00 40. 58 C

ATOM 3237 CG LEU C 183 15. 968 1.246 11. 457 1. 00 40. 40 C

ATOM 3238 CDl LEU C 183 15. 016 1.593 12. 601 1. 00 40. 14 C

ATOM 3239 CD2 LEU C 183 17. 414 1.548 11. 850 1. 00 39. 15 C

ATOM 3240 N ASP C 184 17. 253 -2.941 10. 320 1. 00 41. 04 N

ATOM 3241 CA ASP C 184 17. 039 -4.372 10. 538 1. 00 41. 12 C

ATOM 3242 C ASP C 184 16. 374 -4.545 11. 897 1. 00 41. 22 C

ATOM 3243 O ASP C 184 17. 025 -4.424 12. 941 1. 00 41. 19 O

ATOM 3244 CB ASP C 184 18. 357 -5.154 10. 476 1. 00 41. 22 C

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# 10691216 v l

ATOM 3245 CG ASP C 184 18.164 -6.681 10.594 1.00 41.66 C

ATOM 3246 ODl ASP C 184 17 .027 -7 .196 10 .459 1 .00 40 .91 O

ATOM 3247 OD2 ASP C 184 19 .179 -7 .375 10 .818 1 .00 42 .44 O

ATOM 3248 N ARG C 185 15 .070 -4 .815 11 .874 1 .00 41 .38 N

ATOM 3249 CA ARG C 185 14 .277 -4 .976 13 .100 1 .00 41 .18 C

ATOM 3250 C ARG C 185 14 .264 -6 .408 13 .657 1 .00 41 .44 C

ATOM 3251 O ARG C 185 13 .761 -6 .632 14 .756 1 .00 41 .62 O

ATOM 3252 CB ARG C 185 12 .839 -4 .486 12 .878 1 .00 41 .04 C

ATOM 3253 CG ARG C 185 11 .937 .468 12 .145 1 .00 40 .69 C

ATOM 3254 CD ARG C 185 10 .501 -4 .998 12 .102 1 .00 40 .54 C

ATOM 3255 NE ARG C 185 9 .622 -6 .052 11 .615 1 .00 39 .77 N

ATOM 3256 CZ ARG C 185 9 .298 -6 .239 10 .335 1 .00 40 .02 C

ATOM 3257 NHl ARG C 185 9 .757 -5 .422 9 .399 1 .00 38 .72 N

ATOM 3258 NH2 ARG C 185 8 .497 -7 .244 9 .991 1 .00 39 .79 N

ATOM 3259 N LEU C 186 14 .808 -7 .363 12 .906 1 .00 41 .61 N

ATOM 3260 CA LEU C 186 14 .722 -8 .778 13 .274 1 .00 42 .18 C

ATOM 3261 C LEU C 186 15 .772 -9 .192 14 .305 1 .00 42 .44 C

ATOM 3262 O LEU C 186 16 .700 -9 .947 13 .998 1 .00 42 .53 O

ATOM 3263 CB LEU C 186 14 .812 -9 .667 12 .030 1 .00 42 .19 C

ATOM 3264 CG LEU C 186 13 .863 -9 .343 10 .877 1 .00 42 .88 C

ATOM 3265 CDl LEU C 186 14 .153 -10 .250 9 .698 1 .00 43 .10 C

ATOM 3266 CD2 LEU C 186 12 .391 -9 .446 11 .296 1 .00 44 .04 C

ATOM 3267 N GLN C 187 15 .605 -8 .698 15 .530 1 .00 42 .80 N

ATOM 3268 CA GLN C 187 16 .556 -8 .929 16 .624 1 .00 43 .06 C

ATOM 3269 C GLN C 187 15 .960 -8 .565 17 .995 1 .00 43 .49 C

ATOM 3270 O GLN C 187 14 .858 -8 .026 18 .087 1. .00 43 .26 O

ATOM 3271 CB GLN C 187 17 .851 -8 .135 16 .392 1. .00 42 .93 C

ATOM 3272 CG GLN C 187 17 .664 -6 .618 16 .364 1. .00 42 .50 C

ATOM 3273 CD GLN C 187 18 .887 -5 .890 15 .854 1, .00 42 .42 C

ATOM 3274 OEl GLN C 187 19. .947 -5. .928 16. .474 1. .00 41 .84 O

ATOM 3275 NE2 GLN C 187 18. .746 -5. .218 14. .718 1. 00 41. .26 N

ATOM 3276 N GLU C 188 16. .702 -8. ,886 19. .050 1. 00 44. .01 N

ATOM 3277 CA GLU C 188 16. .407 -8. .395 20. .384 1. 00 44. .66 C

ATOM 3278 C GLU C 188 16. .596 -6. .873 20. 407 1. 00 45. .16 C

ATOM 3279 O GLU C 188 17. .571 -6. 355 19. 844 1. 00 45. .25 O

ATOM 3280 CB GLU C 188 17. 324 -9. 084 21. 408 1. 00 44. .64 C

ATOM 3281 CG GLU C 188 17. 387 -8. 434 22. 794 1. 00 44. 73 C

ATOM 3282 CD GLU C 188 16. 090 -8. 538 23. 581 1. 00 44. 88 C

ATOM 3283 OEl GLU C 188 15. 213 -9. 349 23. 209 1. 00 44. 17 O

ATOM 3284 OE2 GLU C 188 15. 958 _ *j 804 24. 586 1. 00 45. 61 O

ATOM 3285 N VAL C 189 15. 654 -6. 170 21. 039 1. 00 45. 59 N

ATOM 3286 CA VAL C 189 15. 710 _ A 712 21. 169 1. 00 46. 14 C

ATOM 3287 C VAL C 189 17. 077 -4. 273 21. 697 1. 00 46. 47 C

ATOM 3288 O VAL C 189 17. 465 -4. 673 22. 795 1. 00 46. 52 O

ATOM 3289 CB VAL C 189 14. 629 -4. 180 22. 136 1. 00 46. 25 C

ATOM 3290 CGl VAL C 189 14. 561 -2. 659 22. 065 1. 00 46. 49 C

ATOM 3291 CG2 VAL C 189 13. 260 -4. 803 21. 838 1. 00 46. 36 C

ATOM 3292 N PRO C 190 17. 824 -3. 475 20. 907 1. 00 46. 80 N

ATOM 3293 CA PRO C 190 19. 107 -2. 956 21. 389 1. 00 47. 08 C

ATOM 3294 C PRO C 190 18. 957 -2. 007 22. 584 1. 00 47. 40 C

ATOM 3295 O PRO C 190 17. 856 -1. 503 22. 857 1. 00 47. 17 O

ATOM 3296 CB PRO C 190 19. 667 _ 2 203 20. 173 1. 00 47. 01 C

ATOM 3297 CG PRO C 190 18. 922 -2. 743 18. 998 1. 00 46. 80 C

ATOM 3298 CD PRO C 190 17. 550 - ^" ^ 040 19. 526 1. 00 46. 85 C

ATOM 3299 N HIS C 191 20. 061 -1. 797 23. 298 1. 00 47. 73 N

ATOM 3300 CA HIS C 191 20. 104 -0. 852 24. 411 1. 00 48. 06 C

ATOM 3301 C HIS C 191 20. 299 0. 569 23. 889 1. 00 47. 66 C

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ATOM 3302 O HIS C 191 19.882 1.535 24.519 1.00 47.77 O

ATOM 3303 CB HIS C 191 21 .232 -1.206 25 .388 1.00 48 .41 C

ATOM 3304 CG HIS C 191 21 .065 -2.533 26 .069 1.00 50 .04 C

ATOM 3305 NDl HIS C 191 19 .966 -2.843 26 .846 1.00 51 .52 N

ATOM 3306 CD2 HIS C 191 21 .873 -3.620 26 .109 1.00 50 .75 C

ATOM 3307 CEl HIS C 191 20 .100 -4.068 27 .326 1.00 51 .55 C

ATOM 3308 NE2 HIS C 191 21 .249 -4.560 26 .894 1.00 51 .68 N

ATOM 3309 N GLU C 192 20 .934 0.676 22 .727 1.00 47 .47 N

ATOM 3310 CA GLU C 192 21 .276 1.959 22 .115 1.00 47 .17 C

ATOM 3311 C GLU C 192 20 .715 2.047 20 .697 1.00 46 .44 C

ATOM 3312 O GLU C 192 20 .396 1.032 20 .080 1.00 46 .14 O

ATOM 3313 CB GLU C 192 22 .803 2.141 22 .072 1.00 47 .30 C

ATOM 3314 CG GLU C 192 23 .470 2.400 23 .425 1.00 49 .10 C

ATOM 3315 CD GLU C 192 24 .341 1.238 23 .934 1.00 51 .57 C

ATOM 3316 OEl GLU C 192 25 .563 1.455 24 .125 1.00 52 .32 O

ATOM 3317 OE2 GLU C 192 23 .818 0.120 24 .156 1.00 51 .84 O

ATOM 3318 N GLY C 193 20 .585 3.268 20 .196 1.00 45 .84 N

ATOM 3319 CA GLY C 193 20 .318 3.489 18 .784 1.00 45 .53 C

ATOM 3320 C GLY C 193 18 .867 3.596 18 .356 1.00 45 .41 C

ATOM 3321 O GLY C 193 17 .955 3.459 19 .177 1.00 45 .60 O

ATOM 3322 N PRO C 194 18 .649 3.821 17 .049 1.00 45 .20 N

ATOM 3323 CA PRO C 194 17 .356 4.096 16 .410 1.00 45 .09 C

ATOM 3324 C PRO C 194 16 .192 3.176 16 .824 1.00 45 .03 C

ATOM 3325 O PRO C 194 15 .090 3.665 17 .098 1.00 45 .18 O

ATOM 3326 CB PRO C 194 17 .664 3.936 14 .909 1.00 44 .97 C

ATOM 3327 CG PRO C 194 19 .051 3.353 14 .830 1.00 44 .93 C

ATOM 3328 CD PRO C 194 19 .740 3.807 16 .060 1.00 45 .04 C

ATOM 3329 N MET C 195 16 .426 1.868 16 .857 1.00 44 .78 N

ATOM 3330 CA MET C 195 15 .360 0.916 17 .129 1.00 44 .54 C

ATOM 3331 C MET C 195 14 .899 1.045 18 .573 1.00 44 .68 C

ATOM 3332 O MET C 195 13 , .701 1.103 18 .852 1.00 44. .69 O

ATOM 3333 CB MET C 195 15. .833 -0.504 16. .824 1.00 44. .62 C

ATOM 3334 CG MET C 195 14. .808 -1.586 17. .088 1.00 44. .67 C

ATOM 3335 SD MET C 195 15. .315 -3.177 16, .415 1.00 44. .28 S

ATOM 3336 CE MET C 195 14. 086 -4.248 17. .154 1.00 44. 92 C

ATOM 3337 N CYS C 196 15. 865 1.101 19. .484 1.00 44. 84 N

ATOM 3338 CA CYS C 196 15. 596 1.275 20. 902 1.00 44. 61 C

ATOM 3339 C CYS C 196 14. 736 2.503 21. 120 1.00 44. 50 C

ATOM 3340 O CYS C 196 13. 724 2.435 21. 822 1.00 44. 61 O

ATOM 3341 CB CYS C 196 16. 910 1.414 21. 672 1.00 44. 80 C

ATOM 3342 SG CYS C 196 16. 771 2.122 23. 330 1.00 45. 09 S

ATOM 3343 N ASP C 197 15. 134 3.614 20. 496 1.00 44. 22 N

ATOM 3344 CA ASP C 197 14. 477 4.909 20. 710 1.00 44. 03 C

ATOM 3345 C ASP C 197 12. 988 4.863 20. 390 1.00 43. 95 C

ATOM 3346 O ASP C 197 12. 178 5.391 21. 157 1.00 44. 11 O

ATOM 3347 CB ASP C 197 15. 147 6.029 19. 904 1.00 43. 91 C

ATOM 3348 CG ASP C 197 16. 606 6.258 20. 290 1.00 44. 09 C

ATOM 3349 ODl ASP C 197 17. 043 5.820 21. 377 1.00 43. 48 O

ATOM 3350 OD2 ASP C 197 17. 322 6.899 19. 493 1.00 44. 20 O

ATOM 3351 N LEU C 198 12. 635 4.221 19. 272 1.00 43. 59 N

ATOM 3352 CA LEU C 198 11. 243 4.148 18. 813 1.00 43. 18 C

ATOM 3353 C LEU C 198 10. 366 3.434 19. 814 1.00 42. 85 C

ATOM 3354 O LEU C 198 9. 155 3.619 19. 829 1.00 42. 59 O

ATOM 3355 CB LEU C 198 11. 144 3.427 17. 468 1.00 43. 20 C

ATOM 3356 CG LEU C 198 11. 873 4.024 16. 263 1.00 43. 81 C

ATOM 3357 CDl LEU C 198 12. 212 2.918 15. 263 1.00 44. 30 C

ATOM 3358 CD2 LEU C 198 11. 070 5.152 15. 607 1.00 43. 35 C

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ATOM 3359 N LEU C 199 10.990 2.614 20.649 1.00 42.87 N

ATOM 3360 CA LEU C 199 10 .253 1 .801 21 .602 1 .00 43 .09 C

ATOM 3361 C LEU C 199 10 .311 2 .358 23 .014 1 .00 43 .20 C

ATOM 3362 O LEU C 199 9 .510 1 .973 23 .864 1 .00 43 .13 O

ATOM 3363 CB LEU C 199 10 .759 0 .353 21 .574 1 .00 42 .93 C

ATOM 3364 CG LEU C 199 10 .665 -0 .390 20 .235 1 .00 42 .87 C

ATOM 3365 CDl LEU C 199 10 .846 -1 .891 20 .438 1 .00 43 .22 C

ATOM 3366 CD2 LEU C 199 9 .347 -0 .100 19 .525 1 .00 42 .34 C

ATOM 3367 N TRP C 200 11 .236 3 .292 23 .235 1 .00 43 .50 N

ATOM 3368 CA TRP C 200 11 .588 3 .748 24 .575 1 .00 43 .72 C

ATOM 3369 C TRP C 200 11 .480 5 .248 24 .829 1 .00 43 .99 C

ATOM 3370 O TRP C 200 11 .359 5 .654 25 .981 1 .00 44 .54 O

ATOM 3371 CB TRP C 200 13 .011 3 .307 24 .908 1 .00 43 .42 C

ATOM 3372 CG TRP C 200 13 .138 1 .895 25 .398 1 .00 42 .97 C

ATOM 3373 CDl TRP C 200 13 .474 0 .801 24 .662 1 .00 42 .28 C

ATOM 3374 CD2 TRP C 200 12 .966 1 .436 26 .743 1 .00 42 .67 C

ATOM 3375 NEl TRP C 200 1 α _> 3 .520 -0 .313 25 .460 1 .00 41 .97 N

ATOM 3376 CE2 TRP C 200 13 .209 0 .049 26 .744 1 .00 42 .99 C

ATOM 3377 CE3 TRP C 200 12 .623 2 .064 27 .949 1 .00 42 .18 C

ATOM 3378 CZ2 TRP C 200 13 .116 -0 .726 27 .907 1 .00 43 .25 C

ATOM 3379 CZ3 TRP C 200 12 .533 1 .299 29 .097 1 .00 42 .16 C

ATOM 3380 CH2 TRP C 200 12 .780 -0 .081 29 .070 1 .00 42 .79 C

ATOM 3381 N SER C 201 11 .556 6 .063 23 .778 1 .00 44 .14 N

ATOM 3382 CA SER C 201 11 .524 7 .533 23 .903 1 .00 44 .15 C

ATOM 3383 C SER C 201 10 .205 8 .103 24 .439 1 .00 44 .27 C

ATOM 3384 O SER C 201 9 .151 7 .493 24 .293 1 .00 44 .13 O

ATOM 3385 CB SER C 201 11 .821 8 .181 22 .554 1 .00 44 .07 C

ATOM 3386 OG SER C 201 13. .179 8 .031 22 .211 1. .00 44 .55 O

ATOM 3387 N ASP C 202 10. .275 9 .287 25 .043 1. .00 44 .62 N

ATOM 3388 CA ASP C 202 9. .085 9 .968 25 .558 1. .00 45 .06 C

ATOM 3389 C ASP C 202 8. .970 11 .407 25 .051 1. .00 45 .35 C

ATOM 3390 O ASP C 202 9. 987 12 .096 24 .914 1. .00 45. .28 O

ATOM 3391 CB ASP C 202 9. 097 9. .977 27. .084 1. 00 44. .93 C

ATOM 3392 CG ASP C 202 8. 832 8. .623 27. .667 1. 00 45. .81 C

ATOM 3393 ODl ASP C 202 7. 719 8. .100 27. .468 1. 00 47. ,89 O

ATOM 3394 OD2 ASP C 202 9. 732 8. .072 28. .331 1. 00 47. .59 O

ATOM 3395 N PRO C 203 7. 730 11. ,869 24. ,778 1. 00 45. .50 N

ATOM 3396 CA PRO C 203 7. 499 13. .284 24. .538 1. 00 45. 71 C

ATOM 3397 C PRO C 203 7. 692 14. 054 25. 843 1. 00 46. 07 C

ATOM 3398 O PRO C 203 7. 526 13. 496 26. 938 1. 00 45. 58 O

ATOM 3399 CB PRO C 203 6. 039 13. 334 24. 084 1. 00 45. 53 C

ATOM 3400 CG PRO C 203 5. 418 12. 163 24. 718 1. 00 45. 55 C

ATOM 3401 CD PRO C 203 6. 480 11. 098 24. 688 1. 00 45. 61 C

ATOM 3402 N ASP C 204 8. 007 15. 336 25. 704 1. 00 46. 60 N

ATOM 3403 CA ASP C 204 8. 689 16. 081 26. 736 1. 00 47. 36 C

ATOM 3404 C ASP C 204 8. 348 17. 560 26. 585 1. 00 47. 90 C

ATOM 3405 O ASP C 204 8. 080 18. 035 25. 477 1. 00 48. 10 O

ATOM 3406 CB ASP C 204 10. 183 15. 846 26. 529 1. 00 47. 60 C

ATOM 3407 CG ASP C 204 11. 040 16. 484 27. 576 1. 00 48. 08 C

ATOM 3408 ODl ASP C 204 11. 064 15. 967 28. 717 1. 00 49. 49 O

ATOM 3409 OD2 ASP C 204 11. 725 17. 473 27. 237 1. 00 47. 75 O

ATOM 3410 N ASP C 205 365 18. 284 27. 699 1. 00 48. 42 N

ATOM 3411 CA ASP C 205 7. 975 19. 698 27. 731 1. 00 48. 81 C

ATOM 3412 C ASP C 205 9. 156 20. 671 27. 633 1. 00 48. 71 C

ATOM 3413 O ASP C 205 8. 968 21. 887 27. 737 1. 00 48. 66 O

ATOM 3414 CB ASP C 205 7. 191 19. 981 29. 011 1. 00 49. 10 C

ATOM 3415 CG ASP C 205 7. 926 19. 499 30. 247 1. 00 50. 41 C

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ATOM 3416 ODl ASP C 205 8.070 18.260 30.408 1.00 52.17 O

ATOM 3417 OD2 ASP C 205 8 .374 20 .355 31 .042 1 .00 50 .98 O

ATOM 3418 N ARG C 206 10 .367 20 .148 27 .455 1 .00 48 .70 N

ATOM 3419 CA ARG C 206 11 .532 21 .003 27 .200 1 .00 48 .69 C

ATOM 3420 C ARG C 206 12 .075 20 .728 25 .807 1 .00 48 .36 C

ATOM 3421 O ARG C 206 12 .706 19 .699 25 .584 1 .00 48 .77 O

ATOM 3422 CB ARG C 206 12 .650 20 .800 28 .234 1 .00 48 .75 C

ATOM 3423 CG ARG C 206 12 .211 20 .515 29 .658 1 .00 49 .47 C

ATOM 3424 CD ARG C 206 12 .402 19 .037 29 .986 1 .00 51 .17 C

ATOM 3425 NE ARG C 206 13 .812 18 .641 29 .970 1 .00 52 .15 N

ATOM 3426 CZ ARG C 206 14 .253 17 .398 29 .771 1 .00 53 .00 C

ATOM 3427 NHl ARG C 206 13 .406 16 .398 29 .560 1 .00 53 .27 N

ATOM 3428 NH2 ARG C 206 15 .556 17 .151 29 .778 1 .00 53 .11 N

ATOM 3429 N GLY C 207 11 .831 21 .649 24 .879 1 .00 47 .90 N

ATOM 3430 CA GLY C 207 12 .276 21 .516 23 .485 1 .00 47 .36 C

ATOM 3431 C GLY C 207 13 .649 20 .896 23 .283 1 .00 46 .80 C

ATOM 3432 O GLY C 207 14 .524 21 .007 24 .137 1 .00 46 .77 O

ATOM 3433 N GLY C 208 13 .835 20 .231 22 .151 1 .00 46 .37 N

ATOM 3434 CA GLY C 208 15 .097 19 .570 21 .857 1 .00 45 .97 C

ATOM 3435 C GLY C 208 15 .184 18 .168 22 .428 1 .00 45 .69 C

ATOM 3436 O GLY C 208 14 .192 17 .610 22 .890 1 .00 45 .53 O

ATOM 3437 N TRP C 209 16 .383 17 .596 22 .381 1 .00 45 .66 N

ATOM 3438 CA TRP C 209 16 .623 16 .237 22 .868 1 .00 45 .59 C

ATOM 3439 C TRP C 209 17 .138 16 .225 24 .308 1 .00 45 .37 C

ATOM 3440 O TRP C 209 17 .914 17 .101 24 .706 1 .00 45 .52 O

ATOM 3441 CB TRP C 209 17 .622 15 .517 21 .958 1 .00 45. .58 C

ATOM 3442 CG TRP C 209 17 .134 15 .301 20 .542 1 .00 45. .49 C

ATOM 3443 CDl TRP C 209 17 .551 15 .963 19 .422 1 .00 45. .08 C

ATOM 3444 CD2 TRP C 209 16 .152 14 .351 20 .105 1 .00 44. .87 C

ATOM 3445 NEl TRP C 209 16 .888 15 .486 18 .316 1, .00 44. .96 N

ATOM 3446 CE2 TRP C 209 16 .026 14 .494 18 .705 1. .00 45. , 01 C

ATOM 3447 CE3 TRP C 209 15 .367 13 .393 20 .759 1. .00 44. 80 C

ATOM 3448 CZ2 TRP C 209 15 .139 13 .720 17 .947 1. .00 45. 41 C

ATOM 3449 CZ3 TRP C 209 14. .488 12. .618 20. .002 1. .00 45. 18 C

ATOM 3450 CH2 TRP C 209 14. .378 12. .790 18. .614 1. ,00 45. 37 C

ATOM 3451 N GLY C 210 16. .701 15. .232 25. .079 1. 00 45. 00 N

ATOM 3452 CA GLY C 210 17. .187 15. .032 26. .444 1. 00 44. 46 C

ATOM 3453 C GLY C 210 17. .506 13. 577 26. .751 1. 00 44. 20 C

ATOM 3454 O GLY C 210 16. 865 12. 666 26. 227 1. 00 44. 20 O

ATOM 3455 N ILE C 211 18. 513 13. 364 27. 595 1. 00 44. 03 N

ATOM 3456 CA ILE C 211 18. 854 12. 031 28. 109 1. 00 43. 74 C

ATOM 3457 C ILE C 211 17. 641 11. 480 28. 860 1. 00 43. 18 C

ATOM 3458 O ILE C 211 17. 120 12. 140 29. 769 1. 00 42. 92 O

ATOM 3459 CB ILE C 211 20. 073 12. 087 29. 082 1. 00 43. 93 C

ATOM 3460 CGl ILE C 211 21. 093 13. 138 28. 624 1. 00 44. 22 C

ATOM 3461 CG2 ILE C 211 20. 710 10. 697 29. 248 1. 00 43. 83 C

ATOM 3462 CDl ILE C 211 21. 862 13. 807 29. 757 1. 00 45. 10 C

ATOM 3463 N SER C 212 17. 199 10. 281 28. 478 1. 00 42. 58 N

ATOM 3464 CA SER C 212 15. 981 9. 689 29. 048 1. 00 42. 11 C

ATOM 3465 C SER C 212 16. 170 9. 195 30. 482 1. 00 42. 03 C

ATOM 3466 O SER C 212 16. 993 8. 307 30. 731 1. 00 42. 04 O

ATOM 3467 CB SER C 212 15. 467 8. 551 28. 174 1. 00 41. 95 C

ATOM 3468 OG SER C 212 14. 422 7. 864 28. 827 1. 00 41. 09 O

ATOM 3469 N PRO C 213 15. 417 9. 111 31. 438 1. 00 41. 83 N

ATOM 3470 CA PRO C 213 15. 506 9. 296 32. 823 1. 00 41. 67 C

ATOM 3471 C PRO C 213 15. 036 7. 854 32. 985 1. 00 41.' 47 C

ATOM 3472 O PRO > C 213 15. 238 7. 257 34. 034 1. 00 41. 75 O

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ATOM 3473 CB PRO 213 14.604 10.260 33.603 1.00 41.67 C

ATOM 3474 CG PRO C 213 13.775 10.949 32.598 1.00 41.54 C

ATOM 3475 CD PRO C 213 14.499 10.921 31.299 1.00 41.61 C

ATOM 3476 N ARG C 214 14.448 7.300 31.932 1.00 41.36 N

ATOM 3477 CA ARG C 214 13.936 5.928 31.919 1.00 41.20 C

ATOM 3478 C ARG C 214 15.057 4.876 31.847 1.00 41.09 C

ATOM 3479 O ARG C 214 14.847 3.713 32.204 1.00 41.12 O

ATOM 3480 CB ARG C 214 12.986 5.762 30.728 1.00 41.08 C

ATOM 3481 CG ARG C 214 11.729 4.979 31.003 1.00 40.99 C

ATOM 3482 CD ARG C 214 10.882 4.849 29.735 1.00 41.20 C

ATOM 3483 NE ARG C 214 9.707 5.726 29.732 1.00 41.65 N

ATOM 3484 CZ ARG C 214 8.482 5.361 30.122 1.00 41.84 C

ATOM 3485 NHl ARG C 214 8.233 4.129 30.561 1.00 41.01 N

ATOM 3486 NH2 ARG C 214 7.492 6.238 30.077 1.00 41.88 N

ATOM 3487 N GLY C 215 16.238 5.290 31.386 1.00 40.80 N

ATOM 3488 CA GLY C 215 17.365 4.383 31.166 1.00 40.38 C

ATOM 3489 C GLY C 215 17.734 4.212 29.696 1.00 40.35 C

ATOM 3490 O GLY C 215 18.906 4.057 29.363 1.00 40.30 O

ATOM 3491 N ALA C 216 16.731 4.238 28.819 1.00 40.16 N

ATOM 3492 CA ALA C 216 16.935 4.050 27.383 1.00 39.97 C

ATOM 3493 C ALA C 216 16.051 4.993 26.570 1.00 39.94 C

ATOM 3494 O ALA C 216 14.961 5.362 27.011 1.00 39.93 O

ATOM 3495 CB ALA C 216 16.657 2.603 26.989 1.00 39.93 C

ATOM 3496 N GLY C 217 16.522 5.363 25.380 1.00 39.66 N

ATOM 3497 CA GLY C 217 15.781 6.254 24.499 1.00 39.38 C

ATOM 3498 C GLY C 217 16.054 7.709 24.818 1.00 39.39 C

ATOM 3499 O GLY C 217 17.065 8.039 25.432 1.00 39.67 O

ATOM 3500 N TYR C 218 15.150 8.585 24.397 1.00 39.26 N

ATOM 3501 CA TYR C 218 15.356 10.021 24.516 1.00 39.13 C

ATOM 3502 C TYR C 218 14.061 10.729 24.838 1.00 39.08 C

ATOM 3503 O TYR C 218 12.996 10.351 24.344 1.00 39.36 O

ATOM 3504 CB TYR C 218 15.897 10.594 23.197 1.00 39.03 C

ATOM 3505 CG TYR C 218 17.315 10.192 22.865 1.00 39.02 C

ATOM 3506 CDl TYR C 218 17.589 8.946 22.294 1.00 38.64 C

ATOM 3507 CD2 TYR C 218 18.383 11.057 23.116 1.00 38.10 C

ATOM 3508 CEl TYR C 218 18.887 8.565 21.991 1.00 38.70 C

ATOM 3509 CE2 TYR C 218 19.693 10.684 22.813 1.00 37.90 C

ATOM 3510 CZ TYR C 218 19.937 9.438 22.249 1.00 38.54 C

ATOM 3511 OH TYR C 218 21.222 9.052 21.936 1.00 38.44 O

ATOM 3512 N THR C 219 14.141 11.767 25.656 1.00 38.85 N

ATOM 3513 CA THR C 219 13.023 12.681 25.741 1.00 38.75 C

ATOM 3514 C THR C 219 13.149 13.610 24.541 1.00 38.68 C

ATOM 3515 O THR C 219 14.263 13.979 24.162 1.00 38.90 O

ATOM 3516 CB THR C 219 12.976 13.459 27.073 1.00 38.71 C

ATOM 3517 OGl THR C 219 14.064 14.391 27.141 1.00 38.92 O

ATOM 3518 CG2 THR C 219 13.026 12.495 28.255 1.00 38.11 C

ATOM 3519 N PHE C 220 12.017 13.950 23.929 1.00 38.48 N

ATOM 3520 CA PHE C 220 11.998 14.848 22.782 1.00 38.39 C

ATOM 3521 C PHE C 220 10.930 15.913 22.938 1.00 38.59 C

ATOM 3522 O PHE C 220 9.845 15.635 23.435 1.00 38.40 O

ATOM 3523 CB PHE C 220 11.818 14.074 21.468 1.00 38.46 C

ATOM 3524 CG PHE C 220 10.514 13.300 21.364 1.00 38.49 C

ATOM 3525 CDl PHE C 220 9.376 13.891 20.814 1.00 38.06 C

ATOM 3526 CD2 PHE C 220 10.443 11.966 21.772 1.00 37.62 C

ATOM 3527 CEl PHE C 220 8.188 13.178 20.706 1.00 39.12 C

ATOM 3528 CE2 PHE C 220 9.261 11.252 21.671 1.00 37.63 C

ATOM 3529 CZ PHE C 220 8.130 11.852 21.140 1.00 38.59 C

ATOM 3530 N GLY C 221 11.247 17.128 22.499 1.00 39.07 N

ATOM 3531 CA GLY C 221 10 .360 18 .277 22 .662 1 .00 39 .65 C

ATOM 3532 C GLY C 221 9 .475 18 .557 21 .463 1 .00 40 .10 C

ATOM 3533 O GLY C 221 9 .574 17 .875 20 .438 1 .00 40 .24 O

ATOM 3534 N GLN C 222 8 .618 19 .574 21 .600 1 .00 40 .42 N

ATOM 3535 CA GLN C 222 7 .626 19 .936 20 .584 1 .00 40 .69 C

ATOM 3536 C GLN C 222 8 .275 20 .330 19 .258 1 .00 40 .82 C

ATOM 3537 O GLN C 222 7 .792 19 .948 18 .186 1 .00 40 .87 O

ATOM 3538 CB GLN C 222 6 .702 21 .050 21 .095 1 .00 40 .50 C

ATOM 3539 CG GLN C 222 5 .686 21 .549 20 .064 1 .00 40 .78 C

ATOM 3540 CD GLN C 222 4 .584 22 .414 20 .658 1 .00 41 .17 C

ATOM 3541 OEl GLN C 222 4 .254 22 .305 21 .844 1 .00 42 .78 O

ATOM 3542 NE2 GLN C 222 3 .995 23 .270 19 .827 1 .00 40 .07 N

ATOM 3543 N ASP C 223 9 .371 21 .084 19 .350 1 .00 41 .00 N

ATOM 3544 CA ASP C 223 10 .182 21 .486 18 .190 1 .00 41 .25 C

ATOM 3545 C ASP C 223 10 .594 20 .292 17 .329 1 .00 41 .10 C

ATOM 3546 O ASP C 223 10 .718 20 .400 16 .108 1 .00 41 .05 O

ATOM 3547 CB ASP C 223 11 .435 22 .251 18 .645 1 .00 41 .29 C

ATOM 3548 CG ASP C 223 12 .146 21 .578 19 .821 1 .00 41 .95 C

ATOM 3549 ODl ASP C 223 11 .692 20 .501 20 .277 1 .00 42 .94 O

ATOM 3550 OD2 ASP C 223 13 .154 22 .132 20 .305 1 .00 41 .99 O

ATOM 3551 N ILE C 224 10 .799 19 .153 17 .974 1 .00 41 .06 N

ATOM 3552 CA ILE C 224 11 .186 17 .949 17 .258 1 .00 41 .25 C

ATOM 3553 C ILE C 224 9 .977 17 .294 16 .591 1 .00 41 .27 C

ATOM 3554 O ILE C 224 10 .045 16 .916 15 .421 1 .00 41 .22 O

ATOM 3555 CB ILE C 224 11 .989 17 .002 18 .163 1 .00 41 .16 C

ATOM 3556 CGl ILE C 224 13 .421 17 .514 18 .243 1 .00 40 .81 C

ATOM 3557 CG2 ILE C 224 11 .983 15. .574 17 .624 1 .00 41 .32 C

ATOM 3558 CDl ILE C 224 14 .116 17. .114 19 .472 1 .00 42 .33 C

ATOM 3559 N SER C 225 8 .876 17. .195 17 .330 1 .00 41 .29 N

ATOM 3560 CA SER C 225 7 .612 16, .704 16 .790 1 .00 41 .80 C

ATOM 3561 C SER C 225 7. .189 17. .432 15 .509 1 .00 42 , .02 C

ATOM 3562 O SER C 225 6. .838 16. .796 14 .512 1. .00 41. .74 O

ATOM 3563 CB SER C 225 6. .506 16. 851 17. .836 1. .00 41. .70 C

ATOM 3564 OG SER C 225 6. .812 16. 109 18, .996 1. ,00 42. .77 O

ATOM 3565 N GLU C 226 7. 218 18. 764 15. .560 1. .00 42. 44 N

ATOM 3566 CA GLU C 226 6. 781 19. 619 14. .462 1. 00 42. 80 C

ATOM 3567 C GLU C 226 7. 687 19. 465 13. .246 1. 00 42. 89 C

ATOM 3568 O GLU C 226 7. 219 19. 420 12. 100 1. 00 42. 90 O

ATOM 3569 CB GLU C 226 6. 772 21. 079 14. 912 1. 00 42. 82 C

ATOM 3570 CG GLU C 226 5. 730 21. 407 15. 980 1. 00 43. 32 C

ATOM 3571 CD GLU C 226 5. 823 22. 850 16. 482 1. 00 43. 36 C

ATOM 3572 OEl GLU C 226 4. 946 23. 237 17. 286 1. 00 43. 83 O

ATOM 3573 OE2 GLU C 226 6. 762 23. 590 16. 084 1. 00 42. 42 O

ATOM 3574 N THR C 227 8. 987 19. 391 13. 508 1. 00 42. 98 N

ATOM 3575 CA THR C 227 9. 968 19. 159 12. 469 1. 00 43. 11 C

ATOM 3576 C THR C 227 9. 716 17. 807 11. 813 1. 00 43. 29 C

ATOM 3577 O THR C 227 9. 628 17. 720 10. 581 1. 00 43. 54 O

ATOM 3578 CB THR C 227 11. 389 19. 226 13. 041 1. 00 43. 13 C

ATOM 3579 OGl THR C 227 11. 663 20. 571 13. 446 1. 00 43. 06 O

ATOM 3580 CG2 THR C 227 12. 422 18. 794 12. 009 1. 00 43. 23 C

ATOM 3581 N PHE C 228 9. 578 16. 766 12. 638 1. 00 43. 21 N

ATOM 3582 CA PHE C 228 9. 424 15. 401 12. 147 1. 00 43. 10 C

ATOM 3583 C PHE C 228 8. 160 15. 250 11. 307 1. 00 43. 55 C

ATOM 3584 O PHE C 228 8. 213 14. 750 10. 181 1. 00 43. 80 O

ATOM 3585 CB PHE C 228 9. 441 14. 398 13. 298 1. 00 42. 68 C

ATOM 3586 CG PHE C 228 9. 359 12. 966 12. 851 1. 00 42. 87 C

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#10691216 v l

ATOM 3587 CDl PHE C 228 10.504 12.275 12.472 1.00 42.91 C

ATOM 3588 CD2 PHE C 228 8.135 12 .305 12 .801 1.00 42 .14 C

ATOM 3589 CEl PHE C 228 10.431 10 .947 12 .049 1.00 42 .34 C

ATOM 3590 CE2 PHE C 228 8.059 10 .982 12 .385 1.00 41 .78 C

ATOM 3591 CZ PHE C 228 9.206 10 .304 12 .005 1.00 42 .00 C

ATOM 3592 N ASN C 229 7.029 15 .689 11 .854 1.00 43 .92 N

ATOM 3593 CA ASN C 229 5.757 15 .640 11 .143 1.00 44 .09 C

ATOM 3594 C ASN C 229 5.792 16 .367 9 .812 1.00 44 .00 C

ATOM 3595 O ASN C 229 5.375 15 .814 8 .796 1.00 43 .99 O

ATOM 3596 CB ASN C 229 4.624 16 .196 12 .008 1.00 44 .25 C

ATOM 3597 CG ASN C 229 4.183 15 .230 13 .073 1.00 44 .76 C

ATOM 3598 ODl ASN C 229 4.262 14 .016 12 .891 1.00 46 .27 O

ATOM 3599 ND2 ASN C 229 3.707 15 .758 14 .193 1.00 45 .54 N

ATOM 3600 N HIS C 230 6.296 17 .599 9 .818 1.00 44 .01 N

ATOM 3601 CA HIS C 230 6.286 18 .412 8 .611 1.00 44 .05 C

ATOM 3602 C HIS C 230 7.118 17 .804 7 .481 1.00 43 .96 C

ATOM 3603 O HIS C 230 6.713 17 .863 6 .313 1.00 44 .08 O

ATOM 3604 CB HIS C 230 6.718 19 .851 8 .879 1.00 43 .95 C

ATOM 3605 CG HIS C 230 6.658 20 .714 7 .659 1.00 44 .75 C

ATOM 3606 NDl HIS C 230 7.787 21 .154 7 .000 1.00 45 .31 N

ATOM 3607 CD2 HIS C 230 5.603 21 .170 6 .944 1.00 45 .20 C

ATOM 3608 CEl HIS C 230 7.431 21 .868 5 .948 1.00 45 .21 C

ATOM 3609 NE2 HIS C 230 6.111 21 .892 5 .890 1.00 45 .74 N

ATOM 3610 N ALA C 231 8.263 17 .219 7 .832 1.00 43 .63 N

ATOM 3611 CA ALA C 231 9.164 16 .626 6 .843 1.00 43 .51 C

ATOM 3612 C ALA C 231 8.617 15 .333 6 .227 1.00 43 .42 C

ATOM 3613 O ALA C 231 8.893 15 .027 5 .068 1.00 43 .55 O

ATOM 3614 CB ALA C 231 10.539 16 .388 7 .447 1.00 43 .53 C

ATOM 3615 N ASN C 232 7.849 14 .577 7 .000 1.00 43 .13 N

ATOM 3616 CA ASN C 232 7.293 13 .311 6. .519 1.00 42 .88 C

ATOM 3617 C ASN C 232 5.842 13 .429 6. .048 1.00 42 .80 C

ATOM 3618 O ASN C 232 5.187 12 .423 5. .775 1.00 42. .96 O

ATOM 3619 CB ASN C 232 7.420 12 .229 7. .599 1.00 42. .62 C

ATOM 3620 CG ASN C 232 8.861 11. .951 7. 975 1.00 42. .04 C

ATOM 3621 ODl ASN C 232 9.558 11. .214 7. 289 1.00 41. .55 O

ATOM 3622 ND2 ASN C 232 9.309 12. .536 9. 075 1.00 41. .40 N

ATOM 3623 N GLY C 233 5.346 14. ,662 5. 961 1.00 42. 71 N

ATOM 3624 CA GLY C 233 3.948 14. .928 5. 595 1.00 42. 57 C

ATOM 3625 C GLY C 233 2.903 14. 339 6. 534 1.00 42. 33 C

ATOM 3626 O GLY C 233 1.802 14. 006 6. 099 1.00 42. 27 O

ATOM 3627 N LEU C 234 3.244 14. 223 7. 817 1.00 42. 16 N

ATOM 3628 CA LEU C 234 2.375 13. 592 8. 814 1.00 42. 16 C

ATOM 3629 C LEU C 234 1.487 14. 596 9. 533 1.00 42. 02 C

ATOM 3630 O LEU C 234 1.911 15. 718 9. 794 1.00 42. 03 O

ATOM 3631 CB LEU C 234 3.217 12. 851 9. 855 1.00 42. 22 C

ATOM 3632 CG LEU C 234 4.107 11. 691 9. 405 1.00 42. 37 C

ATOM 3633 CDl LEU C 234 5.077 11. 330 10. 517 1.00 42. 26 C

ATOM 3634 CD2 LEU C 234 3.274 10. 481 8. 993 1.00 41. 13 C

ATOM 3635 N THR C 235 0.266 14. 189 9. 870 1.00 41. 94 N

ATOM 3636 CA THR C 235 -0.619 15. 059 10. 655 1.00 42. 30 C

ATOM 3637 C THR C 235 -0.586 14. 745 12. 158 1.00 42. 20 C

ATOM 3638 O THR C 235 -0.821 15. 630 12. 986 1.00 42. 29 O

ATOM 3639 CB THR C 235 -2.099 15. 061 10. 159 1.00 42. 46 C

ATOM 3640 OGl THR C 235 -2.752 13. 848 10. 563 1.00 43. 10 O

ATOM 3641 CG2 THR C 235 -2.193 15. 246 8. 636 1.00 42. 25 C

ATOM 3642 N LEU C 236 -0.293 13. 495 12. 507 1.00 41. 92 N

ATOM 3643 CA LEU C 236 -0.251 13. 106 13. 909 1.00 41. 69 C

-164-

//10691216 \ l

ATOM 3644 C LEU C 236 0.742 11.987 14.216 1.00 41.73 C

ATOM 3645 O LEU C 236 0 .915 11.055 13 .425 1 .00 41 .88 O

ATOM 3646 CB LEU C 236 -1 .653 12.704 14 .380 1 .00 41 .69 C

ATOM 3647 CG LEU C 236 _ -^ .847 12.268 15 .837 1 .00 41 .29 C

ATOM 3648 CDl LEU C 236 -1 .472 13.376 16 .811 1 .00 39 .79 C

ATOM 3649 CD2 LEU C 236 _ 2 .282 11.828 16 .039 1 .00 41 .50 C

ATOM 3650 N VAL C 237 1 .383 12.087 15 .377 1 .00 41 .63 N

ATOM 3651 CA VAL C 237 2 .157 10.983 15 .931 1 .00 41 .35 C

ATOM 3652 C VAL C 237 1 .370 10.416 17 .094 1 .00 41 .59 C

ATOM 3653 O VAL C 237 1 .087 11. Ill 18 .070 1 .00 41 .63 O

ATOM 3654 CB VAL C 237 3 .582 11.405 16 .392 1 .00 41 .40 C

ATOM 3655 CGl VAL C 237 4 .242 10.286 17 .175 1 .00 40 .78 C

ATOM 3656 CG2 VAL C 237 4 .455 11.795 15 .191 1 .00 40 .51 C

ATOM 3657 N SER C 238 1 .000 9.150 16 .957 1 .00 41 .87 N

ATOM 3658 CA SER C 238 0 .235 8.436 17 .954 1 .00 42 .10 C

ATOM 3659 C SER C 238 1 .120 7.365 18 .564 1 .00 42 .27 C

ATOM 3660 O SER C 238 _rt - 1 .720 6.562 17 .852 1 .00 42 .61 O

ATOM 3661 CB SER C 238 -0 .995 7.793 17 .316 1 .00 42 .09 C

ATOM 3662 OG SER C 238 -1 .639 6.912 18 .224 1 .00 42 .35 O

ATOM 3663 N ARG C 239 1 .176 7.353 19 .887 1 .00 42 .27 N

ATOM 3664 CA ARG C 239 2 .088 6.495 20 .615 1 .00 42 .26 C

ATOM 3665 C ARG C 239 1 .520 6.123 21 .992 1 .00 42 .69 C

ATOM 3666 O ARG C 239 0 .484 6.655 22 .429 1 .00 42 .70 O

ATOM 3667 CB ARG C 239 3 .466 7.171 20 .743 1 .00 42 .43 C

ATOM 3668 CG ARG C 239 3 .445 8.656 21 .190 1 .00 41 .53 C

ATOM 3669 CD ARG C 239 3 .371 8.812 22 .702 1 .00 39 .87 C

ATOM 3670 NE ARG C 239 4 .573 8.299 23 .361 1 .00 39 .98 N

ATOM 3671 CZ ARG C 239 4 .825 8.394 24 .666 1 .00 40 .07 C

ATOM 3672 NHl ARG C 239 3 .963 8.983 25 .486 1 .00 38 .77 N

ATOM 3673 NH2 ARG C 239 5 .944 7.888 25. .161 1 .00 40 .18 N

ATOM 3674 N ALA C 240 2. .212 5.208 22. .668 1 .00 42. .60 N

ATOM 3675 CA ALA C 240 1, .745 4.638 23. .925 1 .00 42. .23 C

ATOM 3676 C ALA C 240 2. .827 4.833 25. .000 1. .00 41. .85 C

ATOM 3677 O ALA C 240 3. .325 5.941 25. .168 1. .00 41. .62 O

ATOM 3678 CB ALA C 240 1. .412 3.174 23. 715 1. .00 42. .18 C

ATOM 3679 N HIS C 241 3. 168 3.778 25. 738 1. .00 41. 47 N

ATOM 3680 CA HIS C 241 4. 397 3.757 26. 540 1. 00 41. 47 C

ATOM 3681 C HIS C 241 4. 340 4.515 27. 890 1. 00 41. 25 C

ATOM 3682 O HIS C 241 5. 007 4.122 28. 855 1. 00 41. 16 O

ATOM 3683 CB HIS C 241 5. 582 4.227 25. 662 1. 00 41. 43 C

ATOM 3684 CG HIS C 241 6. 929 4.026 26. 281 1. 00 41. 37 C

ATOM 3685 NDl HIS C 241 7. 362 2.802 26. 747 1. 00 40. 37 N

ATOM 3686 CD2 HIS C 241 7. 949 4.893 26. 487 1. 00 41. 45 C

ATOM 3687 CEl HIS C 241 8. 587 2.926 27. 223 1. 00 41. 05 C

ATOM 3688 NE2 HIS C 241 8. 970 4.183 27. 074 1. 00 41. 71 N

ATOM 3689 N GLN C 242 3. 555 5.588 27. 952 1. 00 40. 92 N

ATOM 3690 CA GLN C 242 3. 423 6.381 29. 177 1. 00 40. 87 C

ATOM 3691 C GLN C 242 2. 045 6.245 29. 810 1. 00 41. 03 C

ATOM 3692 O GLN C 242 030 6.469 29. 138 1. 00 41. 04 O

ATOM 3693 CB GLN C 242 3. 715 7.855 28. 903 1. 00 40. 49 C

ATOM 3694 CG GLN C 242 5. 020 8.320 29. 501 1. 00 40. 82 C

ATOM 3695 CD GLN C 242 5. 521 9.645 28. 947 1. 00 39. 64 C

ATOM 3696 OEl GLN C 242 5. 234 10.007 27. 806 1. 00 38. 87 O

ATOM 3697 NE2 GLN C 242 6. 302 10.356 29. 748 1. 00 37. 22 N

ATOM 3698 N LEU C 243 2. 009 5.885 31. 097 1. 00 41. 02 N

ATOM 3699 CA LEU C 243 0. 747 5.819 31. 829 1. 00 40. 80 C

ATOM 3700 C LEU C 243 0. 183 7.216 31. 908 1. 00 41. 12 C

-165-

»(10691216 v l

ATOM 3701 O LEUr C 243 0.870 8.145 32.319 1.00 41.00 O

ATOM 3702 CB LEU < C 243 0 .928 5 .238 33 .234 1 .00 40 .75 C

ATOM 3703 CG LEU ' C 243 -0 .318 5 .169 34 .135 1 .00 39 .89 C

ATOM 3704 CDl LEU ^■ c 243 -0 .278 3 .975 35 .059 1 .00 39 .00 C

ATOM 3705 CD2 LEU C 243 -0 .497 6 .444 34 .942 1 .00 39 .71 C

ATOM 3706 N VAL C 244 -1 .065 7 .357 31 .487 1 .00 41 .72 N

ATOM 3707 CA VAL C 244 -1 .775 8 .626 31 .558 1 .00 42 .45 C

ATOM 3708 C VAL C 244 -3 .088 8 .415 32 .300 1 .00 42 .99 C

ATOM 3709 O VAL C 244 -3 .850 7 .506 31 .987 1 .00 43 .26 O

ATOM 3710 CB VAL C 244 _ n .988 9 .251 30 .160 1 .00 42 .49 C

ATOM 3711 CGl VAL C 244 -0 .745 10 .021 29 .732 1 .00 43 .10 C

ATOM 3712 CG2 VAL C 244 -2 .305 8 .189 29 .118 1 .00 42 .37 C

ATOM 3713 N MET C 245 -3 .341 9 .249 33 .299 1 .00 43 .80 N

ATOM 3714 CA MET C 245 -4 .429 9 .015 34 .251 1 .00 44 .49 C

ATOM 3715 C MET C 245 -5 .827 9 .019 33 .607 1 .00 44 .82 C

ATOM 3716 O MET C 245 -6 .798 8 .561 34 .209 1 .00 45 .00 O

ATOM 3717 CB MET C 245 -4 .334 10 .019 35 .409 1 .00 44 .34 C

ATOM 3718 CG MET C 245 -4 .660 9 .438 36 .782 1 .00 45 .88 C

ATOM 3719 SD MET C 245 -3 .658 8 .010 37 .287 1 .00 48 .81 S

ATOM 3720 CE MET C 245 -2 .039 8 .762 37 .416 1 .00 48 .73 C

ATOM 3721 N GLU C 246 — 5 .903 9 .499 32 .368 1 .00 45 .38 N

ATOM 3722 CA GLU C 246 -7 .160 9 .685 31 .643 1 .00 45 .75 C

ATOM 3723 C GLU C 246 -7 .332 8 .661 30 .535 1 .00 45 .55 C

ATOM 3724 O GLU C 246 -8 .352 8 .649 29 .850 1 .00 45 .66 O

ATOM 3725 CB GLU C 246 -7 .177 11 .066 30 .995 1 .00 46 .10 C

ATOM 3726 CG GLU C 246 -6 .685 12 .188 31 .883 1 .00 48 .47 C

ATOM 3727 CD GLU C 246 -7 .802 12 .799 32 .688 1 .00 51 .84 C

ATOM 3728 OEl GLU C 246 -8 .413 12 .076 33 .506 1 .00 53 .95 O

ATOM 3729 OE2 GLU C 246 -8 .071 14 .009 32 .503 1. .00 53, .36 O

ATOM 3730 N GLY C 247 -6 .329 7 .813 30 .341 1. .00 45 , .25 N

ATOM 3731 CA GLY C 247 -6 .333 6. .898 29 .217 1. .00 44. .99 C

ATOM 3732 C GLY C 247 -5. .674 7. .516 28 .000 1. .00 44. .82 C

ATOM 3733 O GLY C 247 -4. .956 6. .839 27, .260 1. .00 44. .83 O

ATOM 3734 N TYR C 248 -5. .928 8. .798 27, .774 1. ,00 44. .77 N

ATOM 3735 CA TYR C 248 -5. .291 9. ,496 26. .661 1. 00 44. 99 C

ATOM 3736 C TYR C 248 -4. ,930 10. ,936 26. .984 1. 00 44. 97 C

ATOM 3737 O TYR C 248 -5. 490 11. 566 27. .893 1. 00 44. 98 O

ATOM 3738 CB TYR C 248 -6. 128 9. 420 25. 372 1. 00 44. 78 C

ATOM 3739 CG TYR C 248 -7. 265 10. 410 25. 307 1. 00 45. 12 C

ATOM 3740 CDl TYR C 248 -8. 445 10. 202 26. 037 1. 00 45. 22 C

ATOM 3741 CD2 TYR C 248 -7. 171 11. 559 24. 516 1. 00 45. 26 C

ATOM 3742 CEl TYR C 248 -9. 503 11. 119 25. 978 1. 00 45. 30 C

ATOM 3743 CE2 TYR C 248 -8. 225 12. 482 24. 449 1. 00 45. 14 C

ATOM 3744 CZ TYR C 248 -9. 385 12. 251 25. 180 1. 00 45. 21 C

ATOM 3745 OH TYR C 248 -10. 423 13. 151 25. 117 1. 00 45. 09 O

ATOM 3746 N ASN C 249 -3. 985 11. 445 26. 209 1. 00 45. 10 N

ATOM 3747 CA ASN C 249 -3. 421 12. 744 26. 452 1. 00 45. 21 C

ATOM 3748 C ASN C 249 -2. 849 13. 361 25. 193 1. 00 44. 86 C

ATOM 3749 O ASN C 249 „ 2 134 12. 712 24. 434 1. 00 44. 67 O

ATOM 3750 CB ASN C 249 „ 2 328 12. 642 27. 508 1. 00 45. 52 C

ATOM 3751 CG ASN C 249 -1. 798 13. 981 27. 909 1. 00 46. 16 C

ATOM 3752 ODl ASN C 249 -2. 514 14. 791 28. 497 1. 00 48. 02 O

ATOM 3753 ND2 ASN C 249 -0. 540 14. 238 27. 583 1. 00 46. 87 N

ATOM 3754 N TRP C 250 -3. 184 14. 626 24. 985 1. 00 44. 68 N

ATOM 3755 CA TRP C 250 -2. 579 15. 419 23. 936 1. 00 44. 28 C

ATOM 3756 C TRP C 250 365 16. 139 24. 515 1. 00 44. 03 C

ATOM 3757 O TRP C 250 -1. 358 16. 541 25. 678 1. 00 44. 02 O

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#10691216 vl

ATOM 3758 CB TRP C 250 -3.573 16.453 23.410 1.00 44.11 C

ATOM 3759 CG TRP C 250 -4 .726 15 .910 22 .633 1 .00 43 .82 C

ATOM 3760 CDl TRP C 250 -6 .012 15 .787 23 .062 1 .00 43 .64 C

ATOM 3761 CD2 TRP C 250 -4 .708 15 .447 21 .277 1 .00 44 .53 C

ATOM 3762 NEl TRP C 250 -6 .800 15 .268 22 .063 1 .00 43 .57 N

ATOM 3763 CE2 TRP C 250 -6 .026 15 .051 20 .954 1 .00 44 .14 C

ATOM 3764 CE3 TRP C 250 -3 .707 15 .330 20 .297 1 .00 44 .70 C

ATOM 3765 CZ2 TRP C 250 -6 .371 14 .546 19 .692 1 .00 43 .99 C

ATOM 3766 CZ3 TRP C 250 -4 .055 14 .828 19 .039 1 .00 43 .83 C

ATOM 3767 CH2 TRP C 250 _ ^ .375 14 .443 18 .753 1 .00 43 .69 C

ATOM 3768 N CYS C 251 -0 .332 16 .282 23 .703 1 .00 43 .74 N

ATOM 3769 CA CYS C 251 0 .797 17 .113 24 .070 1 .00 43 .95 C

ATOM 3770 C CYS C 251 1 .426 17 .668 22 .794 1 .00 43 .70 C

ATOM 3771 O CYS C 251 0 .979 17 .343 21 .687 1 .00 43 .61 O

ATOM 3772 CB CYS C 251 1 .809 16 .326 24 .914 1 .00 43 .85 C

ATOM 3773 SG CYS C 251 2 .758 15 .112 23 .985 1 .00 44 .69 S

ATOM 3774 N HIS C 252 2 .438 18 .517 22 .950 1 .00 43 .50 N

ATOM 3775 CA HIS C 252 3 .157 19 .073 21 .804 1 .00 43 .77 C

ATOM 3776 C HIS C 252 2 .214 19 .721 20 .796 1 .00 44 .09 C

ATOM 3777 O HIS C 252 2 .424 19 .623 19 .575 1 .00 43 .93 O

ATOM 3778 CB HIS C 252 3 .997 17 .989 21 .134 1 .00 43 .58 C

ATOM 3779 CG HIS C 252 5 .169 17 .554 21 .950 1 .00 43 .35 C

ATOM 3780 NDl HIS C 252 6 .176 16 .767 21 .438 1 .00 42 .53 N

ATOM 3781 CD2 HIS C 252 5 .508 17 .818 23 .235 1 .00 42 .69 C

ATOM 3782 CEl HIS C 252 7 .077 16 .549 22 .379 1 .00 43 .59 C

ATOM 3783 NE2 HIS C 252 .698 17 .181 23 .477 1 .00 42 .91 N

ATOM 3784 N ASP C 253 1 .172 20 .369 21 .330 1 .00 44 .33 N

ATOM 3785 CA ASP C 253 0 .178 21 .094 20 .540 1 .00 44 .46 C

ATOM 3786 C ASP C 253 -0 .511 20 .174 19 .533 1 .00 44 .51 C

ATOM 3787 O ASP C 253 -0. .660 20 .510 18 .361 1 .00 44 .55 O

ATOM 3788 CB ASP C 253 0. .828 22 .300 19. .847 1 .00 44. .58 C

ATOM 3789 CG ASP C 253 -0. .184 23 .265 19. .273 1. .00 44. .97 C

ATOM 3790 ODl ASP C 253 -1. .303 23 .359 19. .831 1. .00 44. .76 O

ATOM 3791 OD2 ASP C 253 0. .153 23 .931 18. .265 1. .00 45. , 19 O

ATOM 3792 N ARG C 254 -0. .912 18 .998 20. .006 1. ,00 44. .57 N

ATOM 3793 CA ARG C 254 -1. .627 18. .015 19. .187 1. ,00 44. .53 C

ATOM 3794 C ARG C 254 -0. 807 17. .395 18. 029 1. 00 44. 30 C

ATOM 3795 O ARG C 254 -1. 367 16. .865 17. 061 1. 00 44. 14 O

ATOM 3796 CB ARG C 254 -2. 983 18. .574 18. 709 1. 00 44. 58 C

ATOM 3797 CG ARG C 254 -3. 862 19. 053 19. 852 1. 00 44. 86 C

ATOM 3798 CD ARG C 254 -5. 331 18. 762 19. 631 1. 00 45. 38 C

ATOM 3799 NE ARG C 254 -6. 094 19. 125 20. 824 1. 00 47. 30 N

ATOM 3800 CZ ARG C 254 -7. 361 18. 784 21. 058 1. 00 48. 16 C

ATOM 3801 NHl ARG C 254 -8. 039 18. 059 20. 174 1. 00 48. 34 N

ATOM 3802 NH2 ARG C 254 -7. 955 19. 172 22. 183 1. 00 47. 86 N

ATOM 3803 N ASN C 255 0. 514 17. 453 18. 137 1. 00 44. 11 N

ATOM 3804 CA ASN C 255 1. 368 16. 738 17. 195 1. 00 44. 29 C

ATOM 3805 C ASN C 255 1. 542 15. 301 17. 668 1. 00 44. 33 C

ATOM 3806 O ASN C 255 1. 803 14. 393 16. 871 1. 00 44. 49 O

ATOM 3807 CB ASN C 255 2. 726 17. 431 17. 037 1. 00 44. 30 C

ATOM 3808 CG ASN C 255 2. 666 18. 638 16. 103 1. 00 44. 95 C

ATOM 3809 ODl ASN C 255 2. 707 18. 493 14. 877 1. 00 44. 75 O

ATOM 3810 ND2 ASN C 255 2. 586 19. 840 16. 684 1. 00 45. 08 N

ATOM 3811 N VAL C 256 1. 382 15. 117 18. 980 1. 00 44. 20 N

ATOM 3812 CA VAL C 256 1. 505 13. 823 19. 640 1. 00 43. 79 C

ATOM 3813 C VAL C 256 0. 254 13. 556 20. 482 1. 00 43. 86 C

ATOM 3814 O VAL C 256 0. 284 14. 465 21. 122 1. 00 43. 83 O

-167- rf 10691216 vl

ATOM 3815 CB VAL C 256 2.752 13.784 20.569 1.00 43.67 C

ATOM 3816 CGl VAL C 256 2 .857 12 .453 21 .311 1 .00 43 .06 C

ATOM 3817 CG2 VAL C 256 4 .023 14 .055 19 .786 1 .00 43 .60 C

ATOM 3818 N VAL C 257 -0 .210 12 .310 20 .466 1 .00 43 .66 N

ATOM 3819 CA VAL C 257 -1 .172 11 .846 21 .451 1 .00 43 .65 C

ATOM 3820 C VAL C 257 -0 .619 10 .577 22 .104 1 .00 43 .99 C

ATOM 3821 O VAL C 257 0 .034 9 .763 21 .439 1 .00 44 .01 O

ATOM 3822 CB VAL C 257 -2 .616 11 .645 20 .859 1 .00 43 .65 C

ATOM 3823 CGl VAL C 257 -2 .657 10 .539 19 .796 1 .00 43 .11 C

ATOM 3824 CG2 VAL C 257 -3 .626 11 .362 21 .967 1 .00 42 .84 C

ATOM 3825 N THR C 258 -0 .850 10 .433 23 .409 1 .00 44 .18 N

ATOM 3826 CA THR C 258 -0 .455 9 .225 24 .129 1 .00 44 .31 C

ATOM 3827 C THR C 258 -1 .715 8 .452 24 .477 1 .00 44 .59 C

ATOM 3828 O THR C 258 -2 .667 9 .016 25 .008 1 .00 44 .75 O

ATOM 3829 CB THR C 258 0 .400 9 .524 25 .402 1 .00 44 .05 C

ATOM 3830 OGl THR C 258 1 .592 10 .210 25 .027 1 .00 43 .59 O

ATOM 3831 CG2 THR C 258 0 .816 8 .245 26 .109 1 .00 43 .91 C

ATOM 3832 N ILE C 259 -1 .710 7 .165 24 .150 1 .00 44 .84 N

ATOM 3833 CA ILE C 259 -2 .851 6 .294 24 .390 1 .00 45 .17 C

ATOM 3834 C ILE C 259 -2 .402 5 .131 25 .266 1 .00 45 .41 C

ATOM 3835 O ILE C 259 -1 .561 4 .332 24 .859 1 .00 45 .81 O

ATOM 3836 CB ILE C 259 -3 .442 5 .753 23 .068 1 .00 45 .05 C

ATOM 3837 CGl ILE C 259 -3 .901 6 .905 22 .166 1 .00 44 .63 C

ATOM 3838 CG2 ILE C 259 -4 .597 4 .813 23 .356 1 .00 45 .67 C

ATOM 3839 CDl ILE C 259 _ 3 .988 6 .558 20 .697 1 .00 43 .05 C

ATOM 3840 N PHE C 260 -2 .947 5 .062 26 .475 1 .00 45 .36 N

ATOM 3841 CA PHE C 260 _ 2 .642 3 .989 27 .405 1 .00 45 .32 C

ATOM 3842 C PHE C 260 -3. .915 3 .165 27 .581 1 .00 45 .47 C

ATOM 3843 O PHE C 260 -4. .969 3 .708 27 .957 1 .00 45 .40 O

ATOM 3844 CB PHE C 260 -2. .179 4 .573 28 .738 1. .00 45 .18 C

ATOM 3845 CG PHE C 260 -1. .474 3 .588 29 .643 1. .00 44 .97 C

ATOM 3846 CDl PHE C 260 -0. .187 3 .144 29 .350 1. .00 44 .35 C

ATOM 3847 CD2 PHE C 260 -2. .083 3 .147 30. .814 1. .00 43. .92 C

ATOM 3848 CEl PHE C 260 0. .465 2. .264 30. .200 1. .00 44. .72 C

ATOM 3849 CE2 PHE C 260 -1. 435 2. .267 31. .667 1. 00 43, .79 C

ATOM 3850 CZ PHE C 260 -0. 162 1 _c .825 31. .363 1. 00 44. .17 C

ATOM 3851 N SER C 261 -3. 812 1. .864 27. .301 1. 00 45. .13 N

ATOM 3852 CA SER C 261 -4. 986 1. .013 27. .208 1. 00 45. .04 C

ATOM 3853 C SER C 261 -5. 101 -0. 017 28. 331 1. 00 45. 20 C

ATOM 3854 O SER C 261 -5. 868 -0. 967 28. 222 1. 00 45. 45 O

ATOM 3855 CB SER C 261 -5. 022 0. 328 25. 842 1. 00 45. 02 C

ATOM 3856 OG SER C 261 -5. 094 1. 285 24. 802 1. 00 44. 65 O

ATOM 3857 N ALA C 262 -4. 356 0. 176 29. 414 1. 00 45. 29 N

ATOM 3858 CA ALA C 262 -4. 444 -0. 724 30. 564 1. 00 45. 10 C

ATOM 3859 C ALA C 262 -5. 064 0. 001 31. 760 1. 00 45. 04 C

ATOM 3860 O ALA C 262 -4. 380 0. 768 32. 445 1. 00 45. 49 O

ATOM 3861 CB ALA C 262 072 _ 2_ 274 30. 912 1. 00 45. 05 C

ATOM 3862 N PRO C 263 -6. 367 -0. 222 32. 010 1. 00 44. 73 N

ATOM 3863 CA PRO C 263 -7. 052 0. 493 33. 080 1. 00 44. 81 C

ATOM 3864 C PRO C 263 -6. 586 0. 023 34. 435 1. 00 44. 93 C

ATOM 3865 O PRO C 263 -6. 241 -1. 142 34. 588 1. 00 45. 31 O

ATOM 3866 CB PRO C 263 -8. 514 0. 107 32. 880 1. 00 44. 84 C

ATOM 3867 CG PRO C 263 — o . 482 -1. 167 32. 183 1. 00 44. 47 C

ATOM 3868 CD PRO C 263 -7. 267 -1. 150 31. 314 1. 00 44. 68 C

ATOM 3869 N ASN C 264 -6. 583 0. 924 35. 408 1. 00 45. 03 N

ATOM 3870 CA ASN C 264 -6. 097 0. 611 36. 748 1. 00 45. 40 C

ATOM 3871 C ASN C 264 -4. 823 -0. 233 36. 697 1. 00 45. 92 C

-168-

(( 10691216 vl

ATOM 3872 O ASN C 264 -4.755 -1.310 37.299 1.00 46.03 O

ATOM 3873 CB ASN C 264 -7.188 -0 .081 37.579 1.00 45.14 C

ATOM 3874 CG ASN C 264 -6.861 -0 .115 39.059 1.00 43.96 C

ATOM 3875 ODl ASN C 264 -6.335 0 .842 39.616 1.00 42.89 O

ATOM 3876 ND2 ASN C 264 -7.169 -1 .223 39.697 1.00 42.41 N

ATOM 3877 N TYR C 265 -3.824 0 .272 35.968 1.00 46.55 N

ATOM 3878 CA TYR C 265 -2.595 -0 .466 35.690 1.00 47.17 C

ATOM 3879 C TYR C 265 -2.009 -1 .149 36.926 1.00 47.92 C

ATOM 3880 O TYR C 265 -1.896 -0 .530 38.002 1.00 47.80 O

ATOM 3881 CB TYR C 265 -1.530 0 .410 35.012 1.00 47.02 C

ATOM 3882 CG TYR C 265 -0.222 -0 .330 34.863 1.00 46.94 C

ATOM 3883 CDl TYR C 265 0.874 -0 .008 35.660 1.00 46.89 C

ATOM 3884 CD2 TYR C 265 -0.097 -1 .394 33.964 1.00 46.28 C

ATOM 3885 CEl TYR C 265 2.072 -0 .707 35.557 1.00 46.55 C

ATOM 3886 CE2 TYR C 265 1.094 -2 .096 33.853 1.00 46.96 C

ATOM 3887 CZ TYR C 265 2.175 -1 .746 34.659 1.00 46.93 C

ATOM 3888 OH TYR C 265 3.360 -2 .435 34.572 1.00 47.16 O

ATOM 3889 N CYS C 266 -1.657 -2 .430 36.750 1.00 48.40 N

ATOM 3890 CA CYS C 266 -1.097 -3 .258 37.812 1.00 49.08 C

ATOM 3891 C CYS C 266 -2.030 -3 .367 39.016 1.00 49.23 C

ATOM 3892 O CYS C 266 -1.577 -3 .529 40.150 1.00 49.34 O

ATOM 3893 CB CYS C 266 0.269 -2 .721 38.245 1.00 49.19 C

ATOM 3894 SG CYS C 266 1.634 -3 .840 37.935 1.00 51.10 S

ATOM 3895 N TYR C 267 -3.331 -3 .249 38.754 1.00 49.51 N

ATOM 3896 CA TYR C 267 -4.385 -3 .391 39.766 1.00 49.85 C

ATOM 3897 C TYR C 267 -4.284 -2 .392 40.930 1.00 49.56 C

ATOM 3898 O TYR C 267 -4.880 -2 .614 41.988 1.00 49.68 O

ATOM 3899 CB TYR C 267 -4.469 -4 .841 40.307 1.00 50.13 C

ATOM 3900 CG TYR C 267 -4.548 -5 .966 39.271 1.00 50.85 C

ATOM 3901 CDl TYR C 267 -4.503 -7 .306 39.670 1.00 50.83 C

ATOM 3902 CD2 TYR C 267 -4.660 -5. .697 37.902 1.00 51.57 C

ATOM 3903 CEl TYR C 267 -4.580 -8 .348 38.731 1.00 51.93 C

ATOM 3904 CE2 TYR C 267 -4.723 -6 .721 36.957 1.00 51.40 C

ATOM 3905 CZ TYR C 267 -4.687 -8. .042 37.373 1.00 51.95 C

ATOM 3906 OH TYR C 267 -4.749 -9. .050 36.425 1.00 52.13 O

ATOM 3907 N ARG C 268 -3.547 -1. ,295 40.748 1.00 49.10 N

ATOM 3908 CA ARG C 268 -3.422 -0. 303 41.830 1.00 48.85 C

ATOM 3909 C ARG C 268 -3.386 1. 171 41.425 1.00 47.68 C

ATOM 3910 O ARG C 268 -3.619 2. 042 42.257 1.00 47.64 O

ATOM 3911 CB ARG C 268 -2.252 -0. 636 42.778 1.00 48.77 C

ATOM 3912 CG ARG C 268 -0.898 -0. 884 42.114 1.00 49.84 C

ATOM 3913 CD ARG C 268 0.108 -1. 403 43.146 1.00 50.68 C

ATOM 3914 NE ARG C 268 0.859 -2. 572 42.673 1.00 54.00 N

ATOM 3915 CZ ARG C 268 2.157 -2. 576 42.377 1.00 55.09 C

ATOM 3916 NHl ARG C 268 2.879 — 1 469 42.507 1.00 55.44 N

ATOM 3917 NH2 ARG C 268 2.738 -3. 695 41.952 1.00 55.38 N

ATOM 3918 N CYS C 269 -3.131 1. 461 40.157 1.00 46.78 N

ATOM 3919 CA CYS C 269 -2.922 2. 855 39.738 1.00 45.80 C

ATOM 3920 C CYS C 269 -4.176 3. 765 39.700 1.00 44.95 C

ATOM 3921 O CYS C 269 -4.085 4. 951 40.005 1.00 44.57 O

ATOM 3922 CB CYS C 269 -2.125 2. 909 38.425 1.00 45.98 C

ATOM 3923 SG CYS C 269 -0.432 2. 211 38.565 1.00 46.12 S

ATOM 3924 N GLY C 270 -5.336 3. 218 39.341 1.00 44.09 N

ATOM 3925 CA GLY C 270 -6.569 4. 007 39.305 1.00 43.01 C

ATOM 3926 C GLY C 270 -6.761 4. 837 38.045 1.00 42.59 C

ATOM 3927 O GLY C 270 -7.699 5. 628 37.956 1.00 42.51 O

ATOM 3928 N ASN C : 271 -5.876 4. 661 37.067 1.00 42.18 N

-169-

#10691216 vl

ATOM 3929 CA ASN C 271 -5.964 5.362 35.794 1.00 41.61 C

ATOM 3930 C ASN C 271 — V .080 4 .794 34 .943 1 .00 41 .80 C

ATOM 3931 O ASN C 271 -7 .462 3 .629 35 .088 1 .00 41 .88 O

ATOM 3932 CB ASN C 271 -4 .666 5 .202 35 .017 1 .00 41 .26 C

ATOM 3933 CG ASN C 271 -4 .297 3 .753 34 .825 1 .00 40 .36 C

ATOM 3934 ODl ASN C 271 -4 .017 3 .063 35 .794 1 .00 39 .76 O

ATOM 3935 ND2 ASN C 271 -4 .315 3 .276 33 .581 1 .00 38 .16 N

ATOM 3936 N GLN C 272 -7 .589 5 .626 34 .045 1 .00 41 .74 N

ATOM 3937 CA GLN C 272 -8 .520 5 .184 33 .036 1 .00 41 .81 C

ATOM 3938 C GLN C 272 -7 .731 4 .658 31 .848 1 .00 42 .16 C

ATOM 3939 O GLN C 272 -6 .553 4 .994 31 .673 1 .00 42 .26 O

ATOM 3940 CB GLN C 272 — 9 .386 6 .351 32 .592 1 .00 41 .64 C

ATOM 3941 CG GLN C 272 -10 .416 6 .777 33 .592 1 .00 41 .99 C

ATOM 3942 CD GLN C 272 -11 .458 7 .669 32 .967 1 .00 43 .44 C

ATOM 3943 OEl GLN C 272 -11 .251 8 .874 32 .811 1 .00 44 .15 O

ATOM 3944 NE2 GLN C 272 -12 .595 7 .082 32 .601 1 .00 44 .01 N

ATOM 3945 N ALA C 273 .374 3 .821 31 .038 1 .00 42 .36 N

ATOM 3946 CA ALA C 273 -7 .790 3 .397 29 .767 1 .00 42 .40 C

ATOM 3947 C ALA C 273 -8 .503 4 .098 28 .618 1 .00 42 .36 C

ATOM 3948 O ALA C 273 -9 .569 4 .683 28 .814 1 .00 42 .17 O

ATOM 3949 CB ALA C 273 -7 .879 1 .900 29 .616 1 .00 42 .36 C

ATOM 3950 N ALA C 274 _ ₇ .904 4 .055 27 .430 1 .00 42 .51 N

ATOM 3951 CA ALA C 274 -8 .504 4 .664 26 .239 1 .00 42 .78 C

ATOM 3952 C ALA C 274 -8 .053 3 .997 24 .958 1 .00 42 .98 C

ATOM 3953 O ALA C 274 -6 .948 3 .467 24 .873 1 .00 43 .13 O

ATOM 3954 CB ALA C 274 -8 .221 6 .174 26 .170 1 .00 42 .59 C

ATOM 3955 N ILE C 275 -8 .940 4 .032 23 .971 1 .00 43 .21 N

ATOM 3956 CA ILE C 275 -8 .636 3 .640 22 .604 1 .00 43 .20 C

ATOM 3957 C ILE C 275 -9 .091 4 .764 21 .668 1 .00 43 .75 C

ATOM 3958 O ILE C 275 -10 .028 5 .508 21 .984 1 .00 43 .67 O

ATOM 3959 CB ILE C 275 -9 .333 2 .317 22 .237 1. .00 43 .13 C

ATOM 3960 CGl ILE C 275 -10 .823 2 .368 22 .631 1. .00 42 .55 C

ATOM 3961 CG2 ILE C 275 -8 .606 1. .131 22. .897 1. .00 42 .46 C

ATOM 3962 CDl ILE C 275 -11. .695 1. .316 21. .982 1. .00 40. .46 C

ATOM 3963 N MET C 276 -8. .425 4. .897 20. .526 1. 00 44 , .25 N

ATOM 3964 CA MET C 276 -8. .768 5. , 945 19. .570 1. 00 44. .73 C

ATOM 3965 C MET C 276 .356 5. .368 18. 291 1. 00 45. .02 C

ATOM 3966 O MET C 276 -8. .657 4. 685 17. 534 1. 00 45. 27 O

ATOM 3967 CB MET C 276 -7. 539 6. 787 19. 244 1. 00 44. 64 C

ATOM 3968 CG MET C 276 -7. 798 7. 916 18. 267 1. 00 44. 56 C

ATOM 3969 SD MET C 276 -6. 320 8. 911 18. 002 1. 00 45. 17 S

ATOM 3970 CE MET C 276 -5. 332 7. 857 16. 929 1. 00 43. 41 C

ATOM 3971 N GLU C 277 -10. 634 5. 656 18. 052 1. 00 45. 10 N

ATOM 3972 CA GLU C 277 -11. 307 5. 205 16. 839 1. 00 45. 16 C

ATOM 3973 C GLU C 277 -11. 061 6. 184 15. 717 1. 00 44. 97 C

ATOM 3974 O GLU C 277 -11. 310 7. 383 15. 861 1. 00 45. 05 O

ATOM 3975 CB GLU C 277 -12. 817 5. 072 17. 052 1. 00 45. 36 C

ATOM 3976 CG GLU C 277 -13. 217 4. 361 18. 338 1. 00 46. 09 C

ATOM 3977 CD GLU C 277 -14. 629 3. 810 18. 300 1. 00 46. 46 C

ATOM 3978 OEl GLU C 277 -15. 591 4. 582 18. 087 1. 00 47. 01 O

ATOM 3979 OE2 GLU C 277 -14. 773 2. 592 18. 502 1. 00 46. 87 O

ATOM 3980 N LEU C 278 -10. 570 5. 659 14. 602 1. 00 44. 91 N

ATOM 3981 CA LEU C 278 -10. 425 6. 430 13. 371 1. 00 44. 93 C

ATOM 3982 C LEU C 278 -11. 449 5. 923 12. 357 1. 00 44. 92 C

ATOM 3983 O LEU C 278 -11. 412 4. 762 11. 957 1. 00 44. 69 O

ATOM 3984 CB LEU C 278 — 9 002 6. 296 12. 814 1. 00 44. 80 C

ATOM 3985 CG LEU > C 278 -7. 833 6. 674 13. 725 1. 00 44. 80 C

-170-

^ ] 0691216 v I

ATOM 3986 CDl LEU C 278 -6.505 6.262 13.114 1.00 44.72 C

ATOM 3987 CD2 LEU C 278 _ ₇ .842 8 .159 14 .035 1 .00 45 .86 C

ATOM 3988 N ASP C 279 -12 .368 6 .788 11 .944 1 .00 45 .08 N

ATOM 3989 CA ASP C 279 -13 .431 6 .338 11 .065 1 .00 45 .55 C

ATOM 3990 C ASP C 279 -12 .987 6 .198 9 .604 1 .00 45 .76 C

ATOM 3991 O ASP C 279 -11 .792 6 .221 9 .286 1 .00 45 .61 O

ATOM 3992 CB ASP C 279 -14 .696 7 .199 11 .223 1 .00 45 .69 C

ATOM 3993 CG ASP C 279 -14 .570 8 .584 10 .593 1 .00 46 .69 C

ATOM 3994 ODl ASP C 279 -13 .504 8 .924 10 .035 1 .00 48 .29 O

ATOM 3995 OD2 ASP C 279 -15 .563 9 .339 10 .652 1 .00 47 .11 O

ATOM 3996 N ASP C 280 -13 .974 6 .061 8 .728 1 .00 46 .12 N

ATOM 3997 CA ASP C 280 -13 .764 5 .871 7 .299 1 .00 46 .33 C

ATOM 3998 C ASP C 280 -13 .079 7 .063 6 .630 1 .00 46 .59 C

ATOM 3999 O ASP C 280 -12 .548 6 .929 5 .527 1 .00 46 .67 O

ATOM 4000 CB ASP C 280 -15 .106 5 .579 6 .608 1 .00 46 .20 C

ATOM 4001 CG ASP C 280 -15 .872 4 .425 7 .255 1 .00 45 .72 C

ATOM 4002 ODl ASP C 280 -15 .820 4 .266 8 .498 1 .00 45 .09 O

ATOM 4003 OD2 ASP C 280 -16 .546 3 .682 6 .513 1 .00 45 .30 O

ATOM 4004 N THR C 281 -13 .099 8 .222 7 .289 1 .00 46 .82 N

ATOM 4005 CA THR C 281 -12 .457 9 .425 6 .751 1 .00 47 .09 C

ATOM 4006 C THR C 281 -11 .372 9 .965 7 .677 1 .00 47 .32 C

ATOM 4007 O THR C 281 -10 .972 11 .121 7 .543 1 .00 47 .30 O

ATOM 4008 CB THR C 281 -13 .470 10 .556 6 .472 1 .00 47 .01 C

ATOM 4009 OGl THR C 281 -14 .159 10 .886 7 .682 1 .00 47 .46 O

ATOM 4010 CG2 THR C 281 -14 .474 10 .145 5 .409 1 .00 46 .85 C

ATOM 4011 N LEU C 282 -10 .902 9 .126 8 .605 1 .00 47 .62 N

ATOM 4012 CA LEU C 282 -9 .861 9 .495 9 .580 1 .00 47 .80 C

ATOM 4013 C LEU C 282 -10 .284 10 .545 10 .621 1 .00 48 .00 C

ATOM 4014 O LEU C 282 -9 .452 11 .324 11 .089 1. .00 48 .17 O

ATOM 4015 CB LEU C 282 -8 .562 9. .949 8 .885 1. .00 47 , .78 C

ATOM 4016 CG LEU C 282 -7 .413 8. .999 8. .541 1. .00 47 , .77 C

ATOM 4017 CDl LEU C 282 -6 .198 9. .828 8. .115 1. .00 48. .04 C

ATOM 4018 CD2 LEU C 282 -7 .038 8, .097 9, .701 1. .00 47. .74 C

ATOM 4019 N LYS C 283 -11. .565 10. ,568 10. ,983 1. 00 48. ,26 N

ATOM 4020 CA LYS C 283 -12. .027 11. .389 12. .103 1. 00 48. ,50 C

ATOM 4021 C LYS C 283 -11. .722 10. 637 13. ,403 1. 00 48. ,72 C

ATOM 4022 O LYS C 283 -12. .093 9. 467 13. 555 1. 00 48. 62 O

ATOM 4023 CB LYS C 283 -13. .533 11. 685 12. 004 1. 00 48. 59 C

ATOM 4024 CG LYS C 283 -14. 003 12. 424 10. 737 1. 00 48. 48 C

ATOM 4025 CD LYS C 283 -15. 517 12. 619 10. 778 1. 00 48. 60 C

ATOM 4026 CE LYS C 283 -16. 122 12. 894 9. 404 1. 00 48. 91 C

ATOM 4027 NZ LYS C 283 -16. 137 14. 343 9. 042 1. 00 48. 77 N

ATOM 4028 N TYR C 284 -11. 029 11. 302 14. 326 1. 00 49. 01 N

ATOM 4029 CA TYR C 284 -10. 687 10. 689 15. 614 1. 00 49. 23 C

ATOM 4030 C TYR C 284 -11. 812 10. 835 16. 625 1. 00 48. 85 C

ATOM 4031 O TYR C 284 -12. 489 11. 861 16. 671 1. 00 48. 79 O

ATOM 4032 CB TYR C 284 -9. 374 11. 257 16. 194 1. 00 49. 83 C

ATOM 4033 CG TYR C 284 -9. 350 12. 766 16. 427 1. 00 50. 51 C

ATOM 4034 CDl TYR C 284 -10. 024 13. 343 17. 507 1. 00 51. 06 C

ATOM 4035 CD2 TYR C 284 -8. 631 13. 606 15. 583 1. 00 50. 74 C

ATOM 4036 CEl TYR C 284 -10. 005 14. 712 17. 724 1. 00 50. 98 C

ATOM 4037 CE2 TYR C 284 -8. 599 14. 977 15. 793 1. 00 51. 61 C

ATOM 4038 CZ TYR C 284 -9. 289 15. 524 16. 868 1. 00 51. 68 C

ATOM 4039 OH TYR C 284 -9. 263 16. 890 17. 083 1. 00 51. 99 O

ATOM 4040 N SER C 285 -12. 021 9. 790 17. 414 1. 00 48. 55 N

ATOM 4041 CA SER C 285 -12. 840 9. 893 18. 618 1. 00 48. 39 C

ATOM 4042 C SER C 285 -12. 230 9. 006 19. 690 1. 00 48. 15 C

-171 -

# 10691216 vl

ATOM 4043 O SER. C 285 -11.731 7.911 19.397 1.00 48.33 O

ATOM 4044 CB SER . C 285 -14 .305 9 .532 18 .360 1 .00 48 .29 C

ATOM 4045 OG SER C 285 -14 .472 8 .137 18 .247 1 .00 48 .63 O

ATOM 4046 N PHE C 286 -12 .253 9 .500 20 .923 1 .00 47 .53 N

ATOM 4047 CA PHE C 286 -11 .616 8 .813 22 .029 1 .00 46 .99 C

ATOM 4048 C PHE C 286 -12 .655 8 .171 22 .919 1 .00 46 .72 C

ATOM 4049 O PHE C 286 -13 .658 8 .789 23 .263 1 .00 46 .75 O

ATOM 4050 CB PHE C 286 -10 .713 9 .768 22 .825 1 .00 46 .73 C

ATOM 4051 CG PHE C 286 -9 .463 10 .154 22 .095 1 .00 46 .43 C

ATOM 4052 CDl PHE C 286 -8 .341 9 .329 22 .125 1 .00 45 .86 C

ATOM 4053 CD2 PHE C 286 -9 .412 11 .331 21 .352 1 .00 46 .25 C

ATOM 4054 CEl PHE C 286 -7 .178 9 .679 21 .439 1 .00 44 .56 C

ATOM 4055 CE2 PHE C 286 -8 .255 11 .688 20 .669 1 .00 45 .76 C

ATOM 4056 CZ PHE C 286 -7 .135 10 .855 20 .716 1 .00 45 .39 C

ATOM 4057 N LEU C 287 -12 .407 6 .915 23 .269 1 .00 46 .44 N

ATOM 4058 CA LEU C 287 -13 .281 6 .178 24 .159 1 .00 46 .35 C

ATOM 4059 C LEU C 287 -12 .493 5 .786 25 .391 1 .00 46 .29 C

ATOM 4060 O LEU C 287 -11 .456 5 .117 25 .294 1 .00 46 .52 O

ATOM 4061 CB LEU C 287 -13 .863 4 .944 23 .459 1 .00 46 .32 C

ATOM 4062 CG LEU C 287 -14 .604 5 .174 22 .134 1 .00 46 .58 C

ATOM 4063 CDl LEU C 287 -15 .182 3 .865 21 .595 1 .00 46 .40 C

ATOM 4064 CD2 LEU C 287 -15 .703 6 .226 22 .294 1 .00 46 .16 C

ATOM 4065 N GLN C 288 -12 .984 6 .225 26 .546 1 .00 46 .00 N

ATOM 4066 CA GLN C 288 -12 .346 5 .939 27 .824 1 .00 45 .53 C

ATOM 4067 C GLN C 288 -13 .075 4 .818 28 .529 1 .00 45 .43 C

ATOM 4068 O GLN C 288 -14 .306 4 .753 28 .471 1 .00 45 .63 O

ATOM 4069 CB GLN C 288 -12 .336 7 .187 28 .697 1 .00 45 .46 C

ATOM 4070 CG GLN C 288 -11. .554 8 .350 28 .089 1 .00 45 .04 C

ATOM 4071 CD GLN C 288 -11 .347 9 .491 29 .058 1 .00 44 .47 C

ATOM 4072 OEl GLN C 288 -12. .181 9 .761 29. .915 1 .00 44 .75 O

ATOM 4073 NE2 GLN C 288 -10. .229 10. .172 28. .921 1 .00 45 .22 N

ATOM 4074 N PHE C 289 -12. .325 3. .930 29. .179 1. .00 45. .21 N

ATOM 4075 CA PHE C 289 -12. .936 2. .844 29. .957 1. .00 45. .12 C

ATOM 4076 C PHE C 289 -12. 241 2. 500 31. 284 1. .00 45. .14 C

ATOM 4077 O PHE C 289 -11. 052 2. 777 31. 473 1. .00 45. 21 O

ATOM 4078 CB PHE C 289 -13. 142 1. 590 29. 096 1. 00 44. 93 C

ATOM 4079 CG PHE C 289 -11. 880 1. 018 28. 523 1. 00 44. 71 C

ATOM 4080 CDl PHE C 289 -11. 271 -0. 077 29. 118 1. 00 44. 68 C

ATOM 4081 CD2 PHE C 289 -11. 314 1. 553 27. 367 1. 00 44. 98 C

ATOM 4082 CEl PHE C 289 -10. 103 -0. 619 28. 579 1. 00 45. 29 C

ATOM 4083 CE2 PHE C 289 -10. 145 1. 017 26. 820 1. 00 44. 37 C

ATOM 4084 CZ PHE C 289 -9. 539 -0. 068 27. 425 1. 00 44. 57 C

ATOM 4085 N ASP C 290 -13. 015 1. 914 32. 195 1. 00 45. 07 N

ATOM 4086 CA ASP C 290 -12. 534 1. 467 33. 500 1. 00 44. 98 C

ATOM 4087 C ASP C 290 -12. 089 0. 006 33. 424 1. 00 45. 32 C

ATOM 4088 O ASP C 290 -12. 306 -0. 653 32. 401 1. 00 45. 44 O

ATOM 4089 CB ASP C 290 -13. 650 1. 588 34. 529 1. 00 44. 70 C

ATOM 4090 CG ASP C 290 -14. 179 2. 988 34. 652 1. 00 44. 74 C

ATOM 4091 ODl ASP C 290 -13. 372 3. 944 34. 703 1. 00 45. 09 O

ATOM 4092 OD2 ASP C 290 -15. 414 3. 129 34. 710 1. 00 44. 88 O

ATOM 4093 N PRO C 291 -11. 455 -0. 511 34. 498 1. 00 45. 45 N

ATOM 4094 CA PRO C 291 -11. 183 -1. 951 34. 538 1. 00 45. 66 C

ATOM 4095 C PRO C 291 -12. 460 -2. 775 34. 570 1. 00 45. 84 C

ATOM 4096 O PRO C 291 -13. 493 -2. 285 35. 032 1. 00 45. 93 O

ATOM 4097 CB PRO C 291 -10. 417 _ 2 131 35. 854 1. 00 45. 57 C

ATOM 4098 CG PRO C 291 -10. 737 -0. 929 36. 659 1. 00 45. 17 C

ATOM 4099 CD PRO C 291 -10. 925 0. 178 35. 687 1. 00 45. 17 C

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ATOM 4100 N ALA. C 292 -12.376 -4.012 34.079 1.00 46.19 N

ATOM 4101 CA ALA . C 292 -13 .475 -4 .987 34 .159 1 .00 46 .28 C

ATOM 4102 C ALA . C 292 -13 .684 -5 .407 35 .620 1 .00 46 .46 C

ATOM 4103 O ALA . C 292 -12 .734 -5 .395 36 .395 1 .00 46 .71 O

ATOM 4104 CB ALA . C 292 -13 .156 -6 .188 33 .292 1 .00 46 .23 C

ATOM 4105 N PRO C 293 -14 .925 -5 .755 36 .015 1 .00 46 .75 N

ATOM 4106 CA PRO C 293 -15 .164 -6 .040 37 .443 1 .00 46 .64 C

ATOM 4107 C PRO C 293 -15 .011 -7 .512 37 .826 1 .00 46 .43 C

ATOM 4108 O PRO C 293 -14 .729 -8 .347 36 .969 1 .00 46 .45 O

ATOM 4109 CB PRO C 293 -16 .614 -5 .585 37 .652 1 .00 46 .51 C

ATOM 4110 CG PRO C 293 -17 .252 -5 .615 36 .261 1 .00 46 .87 C

ATOM 4111 CD PRO C 293 -16 .166 -5 .890 35 .229 1 .00 46 .90 C

ATOM 4112 N THR C 304 11 .813 -14 .479 47 .997 1 .00 75 .43 N

ATOM 4113 CA THR C 304 10 .966 -13 .337 48 .319 1 .00 75 .55 C

ATOM 4114 C THR C 304 11 .137 -12 .932 49 .794 1 .00 75 .53 C

ATOM 4115 O THR C 304 10 .467 -13 .481 50 .673 1 .00 75 .73 O

ATOM 4116 CB THR C 304 9 .467 -13 .627 48 .009 1 .00 75 .59 C

ATOM 4117 OGl THR C 304 9 .358 -14 .427 46 .826 1 .00 75 .43 O

ATOM 4118 CG2 THR C 304 8 .686 -12 .325 47 .815 1 .00 75 .68 C

ATOM 4119 N PRO C 305 12 .047 -11 .978 50 .070 1 .00 75 .48 N

ATOM 4120 CA PRO C 305 12 .273 -11 .487 51 .442 1 .00 75 .30 C

ATOM 4121 C PRO C 305 11 .283 -10 .389 51 .872 1 .00 74 .99 C

ATOM 4122 O PRO C 305 11 .127 -9 .385 51 .166 1 .00 75 .02 O

ATOM 4123 CB PRO C 305 13 .707 -10 .925 51 .389 1 .00 75 .34 C

ATOM 4124 CG PRO C 305 14 .149 -11 .017 49 .927 1 .00 75 .48 C

ATOM 4125 CD PRO C 305 12 .938 -11 .316 49 .103 1 .00 75 .42 C

ATOM 4126 N ASP C 306 10 .634 -10 .583 53 .022 1 .00 74 .45 N

ATOM 4127 CA ASP C 306 9 .665 -9 .612 53 .555 1 .00 74 .12 C

ATOM 4128 C ASP C 306 10 .298 -8 .700 54 .618 1 .00 73 .71 C

ATOM 4129 O ASP C 306 9 .786 -8 .558 55 .735 1. .00 73 .62 O

ATOM 4130 CB ASP C 306 8. .436 -10 .339 54 .118 1, .00 74. .29 C

ATOM 4131 CG ASP C 306 7. .229 -9 .421 54. .290 1. .00 74. .72 C

ATOM 4132 ODl ASP C 306 6. .157 -9. .920 54. .698 1. .00 74. .94 O

ATOM 4133 OD2 ASP C 306 7. .346 -8. .205 54. .021 1. .00 75. .52 O

ATOM 4134 N TYR C 307 11. .409 -8. .074 54. .245 1. 00 73. , 15 N

ATOM 4135 CA TYR C 307 12. 243 -7. .318 55. .167 1. 00 72. 65 C

ATOM 4136 C TYR C 307 12. 953 -6. .230 54. 363 1. 00 72. 35 C

ATOM 4137 O TYR C 307 13. 738 -6. 534 53. 456 1. 00 72. 34 O

ATOM 4138 CB TYR C 307 13. 244 -8. 267 55. 849 1. 00 72. 64 C

ATOM 4139 CG TYR C 307 14. 319 -7. 610 56. 694 1. 00 72. 56 C

ATOM 4140 CDl TYR C 307 14. 106 -7. 352 58. 048 1. 00 72. 24 C

ATOM 4141 CD2 TYR C 307 15. 560 -7. 275 56. 145 1. 00 72. 18 C

ATOM 4142 CEl TYR C 307 15. 091 -6. 755 58. 833 1. 00 72. 14 C

ATOM 4143 CE2 TYR C 307 16. 553 -6. 680 56. 920 1. 00 72. 38 C

ATOM 4144 CZ TYR C 307 16. 312 -6. 426 58. 264 1. 00 72. 37 C

ATOM 4145 OH TYR C 307 17. 289 -5. 839 59. 036 1. 00 72. 41 O

ATOM 4146 N PHE C 308 12. 662 -4. 972 54. 690 1. 00 71. 83 N

ATOM 4147 CA PHE C 308 13. 178 -3. 830 53. 933 1. 00 71. 48 C

ATOM 4148 C PHE C 308 13. 933 -2. 836 54. 811 1. 00 71. 37 C

ATOM 4149 O PHE C 308 13. 995 -1. 638 54. 508 1. 00 71. 31 O

ATOM 4150 CB PHE C 308 12. 048 _ ^ 132 53. 159 1. 00 71. 39 C

ATOM 4151 CG PHE C 308 11. 381 -4. 010 52. 146 1. 00 70. 97 C

ATOM 4152 CDl PHE C 308 11. 989 -4. 262 50. 921 1. 00 70. 87 C

ATOM 4153 CD2 PHE C 308 10. 153 -4. 600 52. 422 1. 00 70. 71 C

ATOM 4154 CEl PHE C 308 11. 386 -5. 086 49. 984 1. 00 70. 63 C

ATOM 4155 CE2 PHE C 308 9. 538 -5. 429 51. 488 1. 00 71. 06 C

ATOM 4156 CZ PHE C 308 10. 158 -5. 671 50. 263 1. 00 70. 92 C

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ATOM 4157 N LEU C 309 14.527 -3.348 55.884 1.00 71.18 N

ATOM 4158 CA LEU C 309 15 .213 -2 .520 56 .865 1 .00 71 .06 C

ATOM 4159 C LEU C 309 16 .697 -2 .373 56 .548 1 .00 71 .15 C

ATOM 4160 O LEU C 309 17 .252 -1 .274 56 .632 1 .00 71 .13 O

ATOM 4161 CB LEU C 309 15 .044 -3 .126 58 .250 1 .00 71 .00 C

ATOM 4162 CG LEU C 309 14 .923 -2 .193 59 .441 1 .00 70 .73 C

ATOM 4163 CDl LEU C 309 13 .569 -1 .507 59 .417 1 .00 70 .54 C

ATOM 4164 CD2 LEU C 309 15 .084 -3 .037 60 .681 1 .00 70 .73 C

ATOM 4165 OXT LEU C 309 17 .375 -3 .344 56 .199 1 .00 71 .19 O

TER 4166 LEU C 309

ATOM 4167 N ARG P 39 35 .057 -22 .466 51 .066 1 .00 48 .30 N

ATOM 4168 CA ARG P 39 35 .935 -23 .203 52 .023 1 .00 48 .34 C

ATOM 4169 C ARG P 39 35 .743 -22 .772 53 .488 1 .00 48 .13 C

ATOM 4170 O ARG P 39 35 .101 -23 .474 54 .283 1 .00 48 .16 O

ATOM 4171 CB ARG P 39 37 .410 -23 .065 51 .610 1 .00 48 .36 C

ATOM 4172 CG ARG P 39 37 .958 -24 .240 50 .822 1 .00 48 .67 C

ATOM 4173 CD ARG P 39 38 .107 -25 .480 51 .697 1 .00 49 .05 C

ATOM 4174 NE ARG P 39 38 .958 -26 .498 51 .080 1 .00 49 .37 N

ATOM 4175 CZ ARG P 39 39 .379 -27 .601 51 .695 1 .00 49 .70 C

ATOM 4176 NHl ARG P 39 39 .029 -27 .846 52 .954 1 .00 49 .82 N

ATOM 4177 NH2 ARG P 39 40 .155 -28 .465 51 .052 1 .00 49 .64 N

ATOM 4178 N ASP P 40 36 .314 -21 .620 53 .827 1 .00 47 .73 N

ATOM 4179 CA ASP P 40 36 .287 -21 .095 55 .181 1 .00 47 .33 C

ATOM 4180 C ASP P 40 35 .018 -20 .297 55 .424 1 .00 46 .73 C

ATOM 4181 O ASP P 40 34 .376 -19 .824 54 .490 1 .00 46 .60 O

ATOM 4182 CB ASP P 40 37 .499 -20 .181 55 .413 1 .00 47 .53 C

ATOM 4183 CG ASP P 40 38 .778 -20 .951 55 .708 1 .00 48 .43 C

ATOM 4184 ODl ASP P 40 38 .835 -21 .656 56 .744 1 .00 49 .43 O

ATOM 4185 OD2 ASP P 40 39 .741 -20 .832 54 .915 1 .00 49 .04 O

ATOM 4186 N PHE P 41 34 .659 -20 .168 56 .693 1, .00 46 .12 N

ATOM 4187 CA PHE P 41 33 .708 -19 .160 57 .120 1, .00 45. .43 C

ATOM 4188 C PHE P 41 34 .468 -18 .082 57 .892 1. .00 45. .14 C

ATOM 4189 O PHE P 41 33. .871 -17. .172 58. .464 1. .00 45. .28 O

ATOM 4190 CB PHE P 41 32. .586 -19. .785 57. .962 1. .00 45. .28 C

ATOM 4191 CG PHE P 41 31. .603 -20. .600 57. .157 1. 00 44. 96 C

ATOM 4192 CDl PHE P 41 30. .795 -19. .993 56. .190 1. 00 44. 79 C

ATOM 4193 CD2 PHE P 41 31. .481 -21. .969 57. .362 1. 00 44. 74 C

ATOM 4194 CEl PHE P 41 29. ,884 -20. 741 55. 439 1. 00 44. 45 C

ATOM 4195 CE2 PHE P 41 30. 572 -22. 728 56. 616 1. 00 44. 81 C

ATOM 4196 CZ PHE P 41 29. 772 -22. 111 55. 652 1. 00 44. 63 C

ATOM 4197 N SER P 42 35. 797 -18. 194 57. 886 1. 00 44. 68 N

ATOM 4198 CA SER P 42 36. 687 -17. 247 58. 558 1. 00 44. 16 C

ATOM 4199 C SER P 42 36. 717 -15. 892 57. 838 1. 00 43. 64 C

ATOM 4200 O SER P 42 36. 587 -15. 845 56. 616 1. 00 43. 36 O

ATOM 4201 CB SER P 42 38. 095 -17. 842 58. 682 1. 00 44. 27 C

ATOM 4202 OG SER P 42 38. 628 -18. 175 57. 412 1. 00 44. 46 O

ATOM 4203 N PRO P 43 36. 888 -14. 788 58. 598 1. 00 43. 31 N

ATOM 4204 CA PRO P 43 36. 705 -13. 428 58. 079 1. 00 43. 15 C

ATOM 4205 C PRO P 43 37. 729 -12. 994 57. 035 1. 00 42. 99 C

ATOM 4206 O PRO P 43 38. 736 -13. 668 56. 823 1. 00 43. 21 O

ATOM 4207 CB PRO P 43 36. 838 -12. 548 59. 333 1. 00 43. 04 C

ATOM 4208 CG PRO P 43 36. 695 -13. 470 60. 483 1. 00 43. 15 C

ATOM 4209 CD PRO P 43 37. 267 -14. 762 60. 019 1. 00 43. 28 C

ATOM 4210 N VAL P 44 37. 444 -11. 875 56. 377 1. 00 42. 78 N

ATOM 4211 CA VAL P 44 38. 387 -11. 233 55. 472 1. 00 42. 55 C

ATOM 4212 C VAL P 44 38. 414 -9. 740 55. 822 1. 00 42. 53 C

ATOM 4213 O VAL P 44 37. 365 -9. 094 55. 842 1. 00 42. 42 O

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ATOM 4214 CB VAL P 44 38.021 -11.477 53.981 1.00 42.44 C

ATOM 4215 CGl VAL P 44 38 .883 -10.634 53 .060 1.00 42 .26 C

ATOM 4216 CG2 VAL P 44 38 .173 -12.951 53 .622 1.00 42 .34 C

ATOM 4217 N PRO P 45 39 .611 -9.197 56 .135 1.00 42 .54 N

ATOM 4218 CA PRO P 45 39 .750 -7.781 56 .506 1.00 42 .48 C

ATOM 4219 C PRO P 45 39 .328 -6.813 55 .394 1.00 42 .36 C

ATOM 4220 O PRO P 45 39 .450 -7.141 54 .208 1.00 42 .27 O

ATOM 4221 CB PRO P 45 41 .255 -7.639 56 .796 1.00 42 .48 C

ATOM 4222 CG PRO P 45 41 .901 -8.782 56 .089 1.00 42 .34 C

ATOM 4223 CD PRO P 45 40 .910 -9.898 56 .168 1.00 42 .52 C

ATOM 4224 N TRP P 46 38 .849 -5.634 55 .790 1.00 42 .22 N

ATOM 4225 CA TRP P 46 38 .412 -4.592 54 .854 1.00 42 .30 C

ATOM 4226 C TRP P 46 39 .515 -4.158 53 .888 1.00 42 .36 C

ATOM 4227 O TRP P 46 39 .238 -3.817 52 .734 1.00 42 .33 O

ATOM 4228 CB TRP P 46 37 .868 -3.372 55 .609 1.00 42 .30 C

ATOM 4229 CG TRP P 46 38 .881 -2.711 56 .483 1.00 42 .29 C

ATOM 4230 CDl TRP P 46 39 .095 -2.949 57 .805 1.00 42 .23 C

ATOM 4231 CD2 TRP P 46 39 .833 -1.710 56 .092 1.00 42 .52 C

ATOM 4232 NEl TRP P 46 40 .121 -2.161 58 .267 1.00 42 .57 N

ATOM 4233 CE2 TRP P 46 40 .591 -1.390 57 .237 1.00 42 .65 C

ATOM 4234 CE3 TRP P 46 40 .117 -1.053 54 .886 1.00 42 .34 C

ATOM 4235 CZ2 TRP P 46 41 .620 -0.440 57 .213 1.00 42 .59 C

ATOM 4236 CZ3 TRP P 46 41 .141 -0.114 54 .862 1.00 42 .37 C

ATOM 4237 CH2 TRP P 46 41 .878 0.185 56 .019 1.00 42 .34 C

ATOM 4238 N SER P 47 40 .758 -4.185 54 .373 1.00 42 .47 N

ATOM 4239 CA SER P 47 41 .939 -3.724 53 .630 1.00 42 .53 C

ATOM 4240 C SER P 47 42 .213 -4.531 52 .366 1.00 42 .50 C

ATOM 4241 O SER P 47 43 .159 -4.240 51 .631 1.00 42 .61 O

ATOM 4242 CB SER P 47 43 .168 -3.743 54 .537 1.00 42 .44 C

ATOM 4243 OG SER P 47 43 .283 -4.995 55 .191 1.00 42 .79 O

ATOM 4244 N GLN P 48 41. .384 -5.544 52 .129 1.00 42 , .44 N

ATOM 4245 CA GLN P 48 41. .417 -6.322 50 .896 1.00 42. .39 C

ATOM 4246 C GLN P 48 40. .623 -5.644 49. .783 1.00 42. .21 C

ATOM 4247 O GLN P 48 40. .785 -5.974 48. .609 1.00 42. .24 O

ATOM 4248 CB GLN P 48 40. 860 -7.729 51, .139 1.00 42. 37 C

ATOM 4249 CG GLN P 48 41. 859 -8.712 51, .752 1.00 42. 87 C

ATOM 4250 CD GLN P 48 42. 962 -9.145 50. .783 1.00 42. 89 C

ATOM 4251 OEl GLN P 48 44. 049 -9.538 51. 207 1.00 43. 03 O

ATOM 4252 NE2 GLN P 48 42. 683 -9.078 49. 482 1.00 42. 37 N

ATOM 4253 N TYR P 49 39. 768 -4.697 50. 157 1.00 42. 12 N

ATOM 4254 CA TYR P 49 38. 826 -4.098 49. 217 1.00 41. 96 C

ATOM 4255 C TYR P 49 38. 897 -2.578 49. 196 1.00 42. 26 C

ATOM 4256 O TYR P 49 38. 676 -1.964 48. 154 1.00 42. 33 O

ATOM 4257 CB TYR P 49 37. 401 -4.558 49. 532 1.00 41. 61 C

ATOM 4258 CG TYR P 49 37. 168 -6.040 49. 326 1.00 40. 82 C

ATOM 4259 CDl TYR P 49 36. 842 -6.545 48. 067 1.00 40. 49 C

ATOM 4260 CD2 TYR P 49 37. 270 -6.935 50. 388 1.00 40. 04 C

ATOM 4261 CEl TYR P 49 36. 627 -7.901 47. 873 1.00 40. 40 C

ATOM 4262 CE2 TYR P 49 37. 057 -8.295 50. 204 1.00 40. 00 C

ATOM 4263 CZ TYR P 49 36. 737 -8.770 48. 945 1.00 40. 32 C

ATOM 4264 OH TYR P 49 36. 523 -10.111 48. 757 1.00 40. 19 O

ATOM 4265 N PHE P 50 39. 199 -1.980 50. 345 1.00 42. 68 N

ATOM 4266 CA PHE P 50 39. 362 -0.533 50. 450 1.00 43. 16 C

ATOM 4267 C PHE P 50 40. 832 -0.134 50. 542 1.00 43. 71 C

ATOM 4268 O PHE P 50 41. 627 -0.789 51. 230 1.00 43. 82 O

ATOM 4269 CB PHE P 50 38. 608 0.011 51. 663 1.00 43. 08 C

ATOM 4270 CG PHE P 50 37. 116 -0.103 51. 555 1.00 43. 16 C

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610691216 vl

ATOM 4271 CDl PHE P 50 36.396 0.753 50.722 1.00 42.79 C

ATOM 4272 CD2 PHE P 50 36 .423 -1 .057 52 .296 1 .00 43 .14 C

ATOM 4273 CEl PHE P 50 35 .014 0 .653 50 .622 1 .00 42 .72 C

ATOM 4274 CE2 PHE P 50 35 .031 -1 .160 52 .203 1 .00 42 .96 C

ATOM 4275 CZ PHE P 50 34 .329 -0 .303 51 .365 1 .00 42 .67 C

ATOM 4276 N GLU P 51 41 .179 0 .950 49 .851 1 .00 44 .22 N

ATOM 4277 CA GLU P 51 42 .533 1 .498 49 .868 1 .00 44 .72 C

ATOM 4278 C GLU P 51 42 .890 2 .156 51 .204 1 .00 45 .31 C

ATOM 4279 O GLU P 51 44 .049 2 .119 51 .627 1 .00 45 .34 O

ATOM 4280 CB GLU P 51 42 .718 2 .502 48 .728 1 .00 44 .60 C

ATOM 4281 CG GLU P 51 42 .791 1 .871 47 .349 1 .00 44 .29 C

ATOM 4282 CD GLU P 51 42 .460 2 .851 46 .239 1 .00 43 .92 C

ATOM 4283 OEl GLU P 51 43 .121 3 .905 46 .146 1 .00 44 .58 O

ATOM 4284 OE2 GLU P 51 41 .539 2 .565 45 .451 .00 43 .15 O

ATOM 4285 N SER P 52 41 .899 2 .761 51 .859 1 .00 46 .00 N

ATOM 4286 CA SER P 52 42 .121 3 .453 53 .129 1 .00 46 .69 C

ATOM 4287 C SER P 52 40 .850 3 .597 53 .968 1 .00 47 .24 C

ATOM 4288 O SER P 52 39 .781 3 .112 53 .593 1 .00 47 .24 O

ATOM 4289 CB SER P 52 42 .735 4 .833 52 .880 1 .00 46 .56 C

ATOM 4290 OG SER P 52 41 .770 5 .721 52 .352 1 .00 46 .91 O

ATOM 4291 N MET P 53 40 .997 4 .256 55 .116 1 .00 48 .09 N

ATOM 4292 CA MET P 53 39 .882 4 .619 55 .994 1 .00 48 .96 C

ATOM 4293 C MET P 53 40 .167 5 .937 56 .729 1 .00 49 .16 C

ATOM 4294 O MET P 53 41 .304 6 .423 56 .739 1 .00 49 .20 O

ATOM 4295 CB MET P 53 39 .560 3 .496 56 .996 1 .00 48 .81 C

ATOM 4296 CG MET P 53 40 .710 3 .079 57 .901 1 .00 49 .21 C

ATOM 4297 SD MET P 53 40 .168 2 .600 59 .559 1 .00 49 .86 S

ATOM 4298 CE MET P 53 40 .401 4 .142 60 .453 1. .00 49 .21 C

ATOM 4299 N GLU P 54 39 .126 6 .513 57 .328 1. .00 49 .57 N

ATOM 4300 CA GLU P 54 39 .253 7 .741 58 .109 1, .00 49 .92 C

ATOM 4301 C GLU P 54 38 .162 7 .822 59. .171 1. .00 50 .23 C

ATOM 4302 O GLU P 54 37 .010 7. .458 58. .920 1. .00 50 .16 O

ATOM 4303 CB GLU P 54 39. .198 8. .975 57. .200 1. .00 49, .79 C

ATOM 4304 CG GLU P 54 39. .464 10. ,294 57. .918 1. 00 49, .80 C

ATOM 4305 CD GLU P 54 39. .464 11. .500 56. .991 1. 00 50. .08 C

ATOM 4306 OEl GLU P 54 39. .192 11. 338 55. 780 1. 00 50. .34 O

ATOM 4307 OE2 GLU P 54 39. 740 12. 618 57. 482 1. 00 50. , 07 O

ATOM 4308 N ASP P 55 38. 543 8. 294 60. 357 1. 00 50. ,61 N

ATOM 4309 CA ASP P 55 37. 600 8. 588 61. 433 1. 00 50. 97 C

ATOM 4310 C ASP P 55 37. 289 10. 088 61. 456 1. 00 51. 10 C

ATOM 4311 O ASP P 55 37. 953 10. 861 62. 146 1. 00 51. 21 O

ATOM 4312 CB ASP P 55 38. 164 8. 128 62. 781 1. 00 51. 00 C

ATOM 4313 CG ASP P 55 37. 903 6. 655 63. 061 1. 00 51. 40 C

ATOM 4314 ODl ASP P 55 36. 720 6. 253 63. 194 1. 00 51. 67 O

ATOM 4315 OD2 ASP P 55 38. 892 5. 900 63. 170 1. 00 51. 54 O

ATOM 4316 N VAL P 56 36. 268 10. 480 60. 698 1. 00 51. 30 N

ATOM 4317 CA VAL P 56 35. 936 11. 886 60. 462 1. 00 51. 53 C

ATOM 4318 C VAL P 56 35. 292 12. 572 61. 672 1. 00 51. 83 C

ATOM 4319 O VAL P 56 34. 317 12. 073 62. 236 1. 00 51. 74 O

ATOM 4320 CB VAL P 56 35. 033 12. 026 59. 212 1. 00 51. 47 C

ATOM 4321 CGl VAL P 56 34. 579 13. 463 59. 012 1. 00 51. 45 C

ATOM 4322 CG2 VAL P 56 35. 767 11. 527 57. 979 1. 00 51. 54 C

ATOM 4323 N GLU P 57 35. 842 13. 726 62. 046 1. 00 52. 35 N

ATOM 4324 CA GLU P 57 35. 389 14. 482 63. 218 1. 00 52. 93 C

ATOM 4325 C GLU P 57 34. 301 15. 500 62. 870 1. 00 53. 36 C

ATOM 4326 O GLU P 57 34. 443 16. 265 61. 915 00 53. 46 O

ATOM 4327 CB GLU P 57 36. 572 15. 184 63. 889 1. 00 52. 83 C

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#10691216 vl

ATOM 4328 CG GLU P 57 37.717 14.256 64.268 1.00 52.76 C

ATOM 4329 CD GLU P 57 38 .914 14 .994 64 .833 1 .00 53 .00 C

ATOM 4330 OEl GLU P 57 39 .319 16 .031 64 .260 1 .00 52 .82 O

ATOM 4331 OE2 GLU P 57 39 .460 14 .526 65 .853 1 .00 53 .57 O

ATOM 4332 N VAL P 58 33 .223 15 .504 63 .656 1 .00 53 .93 N

ATOM 4333 CA VAL P 58 32 .055 16 .364 63 .410 1 .00 54 .44 C

ATOM 4334 C VAL P 58 31 .515 16 .951 64 .721 1 .00 54 .87 C

ATOM 4335 O VAL P 58 31 .272 16 .217 65 .681 1 .00 54 .87 O

ATOM 4336 CB VAL P 58 30 .923 15 .586 62 .668 1 .00 54 .43 C

ATOM 4337 CGl VAL P 58 29 .613 16 .373 62 .665 1 .00 54 .33 C

ATOM 4338 CG2 VAL P 58 31 .341 15 .236 61 .243 1 .00 54 .38 C

ATOM 4339 N GLU P 59 31 .328 18 .273 64 .745 1 .00 55 .42 N

ATOM 4340 CA GLU P 59 30 .838 18 .992 65 .932 1 .00 55 .97 C

ATOM 4341 C GLU P 59 29 .403 19 .511 65 .755 1 .00 56 .27 C

ATOM 4342 O GLU P 59 28 .995 19 .858 64 .642 1 .00 56 .42 O

ATOM 4343 CB GLU P 59 31 .785 20 .151 66 .296 1 .00 55 .84 C

ATOM 4344 CG GLU P 59 31 .930 21 .239 65 .212 1 .00 55 .94 C

ATOM 4345 CD GLU P 59 32 .858 22 .393 65 .622 1 .00 56 .25 C

ATOM 4346 OEl GLU P 59 33 .001 22 .682 66 .874 1 .00 56 .40 O

ATOM 4347 OE2 GLU P 59 33 .442 23 .023 64 .681 1 .00 56 .35 O

ATOM 4348 N ASN P 60 28 .648 19 .554 66 .854 1 .00 56 .62 N

ATOM 4349 CA ASN P 60 27 .288 20 .129 66 .869 1 .00 56 .80 C

ATOM 4350 C ASN P 60 26 .969 20 .960 68 .126 1 .00 56 .95 C

ATOM 4351 O ASN P 60 27 .634 21 .969 68 .385 1 .00 56 .93 O

ATOM 4352 CB ASN P 60 26 .204 19 .066 66 .597 1 .00 56 .79 C

ATOM 4353 CG ASN P 60 26 .529 17 .701 67 .202 1 .00 56 .95 C

ATOM 4354 ODl ASN P 60 26 .439 16 .681 66 .517 1 .00 57 .22 O

ATOM 4355 ND2 ASN P 60 26 .893 17 .675 68 .485 1 .00 57 .10 N

ATOM 4356 N GLU P 61 25 .962 20 .537 68 .895 1 .00 57 .11 N

ATOM 4357 CA GLU P 61 25 .507 21 .281 70 .079 1 .00 57 .22 C

ATOM 4358 C GLU P 61 26 .034 20 .725 71 .408 1 .00 57 .04 C

ATOM 4359 O GLU P 61 26 .678 21. .447 72 .178 1 .00 56 .87 O

ATOM 4360 CB GLU P 61 23. .975 21. .381 70 .099 1 .00 57 .36 C

ATOM 4361 CG GLU P 61 23. .411 22 , .487 69. .209 1. .00 57. .87 C

ATOM 4362 CD GLU P 61 22. .076 22. .121 68. .568 1. .00 58. .41 C

ATOM 4363 OEl GLU P 61 21. .247 23. .034 68. .362 1. .00 58. .75 O

ATOM 4364 OE2 GLU P 61 21. .856 20. .927 68. .262 1. .00 58. .41 O

ATOM 4365 N THR P 62 25. ,757 19. 447 71. .670 1. .00 56. .85 N

ATOM 4366 CA THR P 62 26. 211 18. 789 72. .901 1. .00 56. .60 C

ATOM 4367 C THR P 62 27. 712 18. 465 72. 875 1. .00 56. 21 C

ATOM 4368 O THR P 62 28. 400 18. 629 73. 889 1. 00 56. 06 O

ATOM 4369 CB THR P 62 25. 386 17. 508 73. 233 1. 00 56. 72 C

ATOM 4370 OGl THR P 62 25. 131 16. 761 72. 033 1. 00 56. 88 O

ATOM 4371 CG2 THR P 62 24. 056 17. 877 73. 901 1. 00 56. 76 C

ATOM 4372 N GLY P 63 28. 212 18. 016 71. 719 1. 00 55. 74 N

ATOM 4373 CA GLY P 63 29. 633 17. 692 71. 579 1. 00 55. 02 C

ATOM 4374 C GLY P 63 30. 132 17. 347 70. 184 1. 00 54. 45 C

ATOM 4375 O GLY P 63 29. 722 17. 954 69. 190 1. 00 54. 31 O

ATOM 4376 N LYS P 64 31. 023 16. 356 70. 137 1. 00 53. 89 N

ATOM 4377 CA LYS P 64 31. 779 15. 984 68. 940 1. 00 53. 19 C

ATOM 4378 C LYS P 64 31. 645 14. 480 68. 645 1. 00 52. 60 C

ATOM 4379 O LYS P 64 31. 625 13. 657 69. 563 1. 00 52. 53 O

ATOM 4380 CB LYS P 64 33. 254 16. 401 69. 123 1. 00 53. 26 C

ATOM 4381 CG LYS P 64 34. 263 15. 857 68. 104 1. 00 53. 35 C

ATOM 4382 CD LYS P 64 34. 850 14. 515 68. 552 1. 00 53. 26 C

ATOM 4383 CE LYS P 64 35. 872 13. 975 67. 564 1. 00 53. 14 C

ATOM 4384 NZ LYS P 64 37. 187 14. 660 67. 679 1. 00 52. 49 N

-177-

# 10691216 vl

ATOM 4385 N ASP P 65 31.559 14.135 67.360 1.00 51.87 N

ATOM 4386 CA ASP P 65 31 .389 12 .745 66 .933 1 .00 51 .15 C

ATOM 4387 C ASP P 65 32 .444 12 .304 65 .920 1 .00 50 .60 C

ATOM 4388 O ASP P 65 32 .965 13 .118 65 .156 1 .00 50 .64 O

ATOM 4389 CB ASP P 65 29 .992 12 .531 66 .344 1 .00 51 .18 C

ATOM 4390 CG ASP P 65 28 .880 12 .975 67 .281 1 .00 51 .35 C

ATOM 4391 ODl ASP P 65 28 .959 12 .704 68 .500 1 .00 51 .36 O

ATOM 4392 OD2 ASP P 65 27 .913 13 .591 66 .786 1 .00 51 .61 O

ATOM 4393 N THR P 66 32 .742 11 .006 65 .924 1 .00 49 .87 N

ATOM 4394 CA THR P 66 33 .682 10 .395 64 .985 1 .00 49 .22 C

ATOM 4395 C THR P 66 32 .952 9 .346 64 .146 1 .00 48 .81 C

ATOM 4396 O THR P 66 32 .225 8 .506 64 .685 1 .00 48 .81 O

ATOM 4397 CB THR P 66 34 .860 9 .748 65 .722 1 .00 49 .20 C

ATOM 4398 OGl THR P 66 35 .482 10 .723 66 .566 1 .00 49 .52 O

ATOM 4399 CG2 THR P 66 35 .881 9 .226 64 .741 1 .00 48 .90 C

ATOM 4400 N PHE P 67 33 .148 9 .387 62 .831 1 .00 48 .10 N

ATOM 4401 CA PHE P 67 32 .250 8 .660 61 .948 1 .00 47 .45 C

ATOM 4402 C PHE P 67 32 .758 7 .367 61 .308 1 .00 47 .30 C

ATOM 4403 O PHE P 67 32 .061 6 .350 61 .345 1 .00 47 .33 O

ATOM 4404 CB PHE P 67 31 .591 9 .601 60 .938 1 .00 47 .26 C

ATOM 4405 CG PHE P 67 30 .327 10 .228 61 .456 1 .00 46 .78 C

ATOM 4406 CDl PHE P 67 29 .089 9 .678 61 .150 1 .00 46 .47 C

ATOM 4407 CD2 PHE P 67 30 .374 11 .348 62 .278 1 .00 46 .80 C

ATOM 4408 CEl PHE P 67 27 .915 10 .242 61 .639 1 .00 46 .38 C

ATOM 4409 CE2 PHE P 67 29 .201 11 .924 62 .771 1 .00 46 .72 C

ATOM 4410 CZ PHE P 67 27 .971 11 .368 62 .450 1 .00 46 .50 C

ATOM 4411 N ARG P 68 33 .957 7 .394 60 .739 1 .00 46 .83 N

ATOM 4412 CA ARG P 68 34 .500 6 .212 60 .049 1 .00 46 .61 C

ATOM 4413 C ARG P 68 33 .959 6 .088 58 .634 1 .00 46 .23 C

ATOM 4414 O ARG P 68 32 .770 5 .841 58 .428 1 .00 46 .06 O

ATOM 4415 CB ARG P 68 34. .240 4 .902 60 .825 1 .00 46 .49 C

ATOM 4416 CG ARG P 68 34. .753 3 .619 60 .143 1. .00 46 .41 C

ATOM 4417 CD ARG P 68 36. .282 3 .522 60 .156 1. .00 45. .24 C

ATOM 4418 NE ARG P 68 36. .839 3. .722 61. .496 1. .00 44. .73 N

ATOM 4419 CZ ARG P 68 37. .269 2. .751 62. .300 1. .00 44. .23 C

ATOM 4420 NHl ARG P 68 37. 225 1. .480 61. .923 1. 00 44. , 12 N

ATOM 4421 NH2 ARG P 68 37. 751 3. .056 63. .492 1. .00 44. 08 N

ATOM 4422 N VAL P 69 34. 854 6. .265 57. 671 1. 00 45. 89 N

ATOM 4423 CA VAL P 69 34. 549 6. 035 56. 271 1. 00 45. 63 C

ATOM 4424 C VAL P 69 35. 614 5. 129 55. 677 1. 00 45. 49 C

ATOM 4425 O VAL P 69 36. 774 5. 177 56. 084 1. 00 45. 34 O

ATOM 4426 CB VAL P 69 34. 462 7. 357 55. 460 1. 00 45. 66 C

ATOM 4427 CGl VAL P 69 33. 137 8. 056 55. 716 1. 00 45. 73 C

ATOM 4428 CG2 VAL P 69 35. 635 8. 282 55. 775 1. 00 45. 47 C

ATOM 4429 N TYR P 70 35. 210 4. 295 54. 726 1. 00 45. 35 N

ATOM 4430 CA TYR P 70 36. 149 3. 462 53. 985 1. 00 45. 23 C

ATOM 4431 C TYR P 70 36. 244 3. 958 52. 546 1. 00 45. 02 C

ATOM 4432 O TYR P 70 35. 237 4. 043 51. 840 1. 00 44. 92 O

ATOM 4433 CB TYR P 70 35. 738 1. 992 54. 048 1. 00 45. 26 C

ATOM 4434 CG TYR P 70 35. 752 1. 410 55. 445 1. 00 45. 39 C

ATOM 4435 CDl TYR P 70 36. 885 0. 765 55. 945 1. 00 45. 45 C

ATOM 4436 CD2 TYR P 70 34. 627 1. 499 56. 268 1. 00 45. 56 C

ATOM 4437 CEl TYR P 70 36. 897 0. 223 57. 230 1. 00 45. 53 C

ATOM 4438 CE2 TYR P 70 34. 626 0. 963 57. 548 1. 00 45. 62 C

ATOM 4439 CZ TYR P 70 35. 761 0. 326 58. 025 1. 00 45. 67 C

ATOM 4440 OH TYR P 70 35. 755 -0. 198 59. 299 1. 00 45. 48 O

ATOM 4441 N LYS P 71 37. 465 4. 295 52. 137 1. 00 44. 88 N

-178-

* 10691216 v I

ATOM 4442 CA LYS P 71 37.726 4.977 50.868 1.00 44.75 C

ATOM 4443 C LYS P 71 38 .448 4 .095 49 .853 1.00 44 .89 C

ATOM 4444 O LYS P 71 39 .109 3 .117 50 .215 1.00 45 .01 O

ATOM 4445 CB LYS P 71 38 .550 6 .245 51 .108 1.00 44 .56 C

ATOM 4446 CG LYS P 71 37 .800 7 .360 51 .816 1.00 44 .37 C

ATOM 4447 CD LYS P 71 38 .705 8 .556 52 .097 1.00 44 .49 C

ATOM 4448 CE LYS P 71 39 .656 8 .290 53 .259 1.00 44 .18 C

ATOM 4449 NZ LYS P 71 40 .519 9 .461 53 .556 1.00 43 .78 N

ATOM 4450 N SER P 72 38 .317 4 .459 48 .580 1.00 44 .87 N

ATOM 4451 CA SER P 72 39 .029 3 .794 47 .496 1.00 44 .87 C

ATOM 4452 C SER P 72 38 .915 4 .628 46 .224 1.00 44 .95 C

ATOM 4453 O SER P 72 37 .829 5 .095 45 .879 1.00 44 .95 O

ATOM 4454 CB SER P 72 38 .466 2 .391 47 .271 1.00 44 .85 C

ATOM 4455 OG SER P 72 39 .202 1 .693 46 .291 1.00 45 .05 O

ATOM 4456 N GLY P 73 40 .041 4 .829 45 .542 1.00 45 .13 N

ATOM 4457 CA GLY P 73 40 .067 5 .571 44 .274 1.00 45 .16 C

ATOM 4458 C GLY P 73 40 .625 6 .972 44 .418 1.00 45 .09 C

ATOM 4459 O GLY P 73 40 .649 7 .520 45 .519 1.00 45 .05 O

ATOM 4460 N SER P 74 41 .053 7 .557 43 .301 1.00 45 .19 N

ATOM 4461 CA SER P 74 41 .761 8 .839 43 .330 1.00 45 .38 C

ATOM 4462 C SER P 74 41 .204 9 .920 42 .399 1.00 45 .54 C

ATOM 4463 O SER P 74 41 .464 11 .108 42 .611 1.00 45 .64 O

ATOM 4464 CB SER P 74 43 .256 8 .629 43 .058 1.00 45 .32 C

ATOM 4465 OG SER P 74 43 .464 8 .031 41 .792 1.00 45 .26 O

ATOM 4466 N GLU P 75 40 .460 9 .513 41 .372 1.00 45 .63 N

ATOM 4467 CA GLU P 75 39 .867 10 .451 40 .406 1.00 45 .90 C

ATOM 4468 C GLU P 75 38 .403 10 .112 40 .113 1.00 45 .94 C

ATOM 4469 O GLU P 75 37 .869 9 .134 40 .647 1.00 46 .07 O

ATOM 4470 CB GLU P 75 40. .678 10 .476 39 .107 1.00 45 .94 C

ATOM 4471 CG GLU P 75 42. .016 11 .194 39 .218 1.00 46 .94 C

ATOM 4472 CD GLU P 75 42. .999 10. .784 38. .133 1.00 48 .40 C

ATOM 4473 OEl GLU P 75 42. .577 10. .130 37. .152 1.00 49 .26 O

ATOM 4474 OE2 GLU P 75 44. .200 11. .115 38. .263 1.00 48 .83 O

ATOM 4475 N GLY P 76 37. 760 10. .922 39. .269 1.00 45. .86 N

ATOM 4476 CA GLY P 76 36. 339 10. 756 38. .939 1.00 45. .50 C

ATOM 4477 C GLY P 76 35. 413 11. 161 40. 075 1.00 45. .36 C

ATOM 4478 O GLY P 76 35. 878 11. 626 41. 118 1.00 45. .48 O

ATOM 4479 N PRO P 77 34. 092 10. 980 39. 889 1.00 45. 19 N

ATOM 4480 CA PRO P 77 33. 094 11. 371 40. 895 1.00 45. 08 C

ATOM 4481 C PRO P 77 33. 124 10. 488 42. 146 1.00 44. 90 C

ATOM 4482 O PRO P 77 33. 506 9. 321 42. 061 1.00 45. 05 O

ATOM 4483 CB PRO P 77 31. 764 11. 181 40. 157 1.00 45. 13 C

ATOM 4484 CG PRO P 77 32. 052 10. 141 39. 135 1.00 45. 07 C

ATOM 4485 CD PRO P 77 33. 466 10. 379 38. 697 1.00 45. 11 C

ATOM 4486 N VAL P 78 32. 726 11. 044 43. 288 1.00 44. 69 N

ATOM 4487 CA VAL P 78 32. 630 10. 271 44. 531 1.00 44. 60 C

ATOM 4488 C VAL P 78 31. 270 9. 599 44. 645 1.00 44. 54 C

ATOM 4489 O VAL P 78 30. 231 10. 239 44. 482 1.00 44. 87 O

ATOM 4490 CB VAL P 78 32. 878 11. 134 45. 798 1.00 44. 68 C

ATOM 4491 CGl VAL P 78 32. 339 10. 440 47. 050 1.00 44. 60 C

ATOM 4492 CG2 VAL P 78 34. 360 11. 445 45. 964 1.00 44. 35 C

ATOM 4493 N LEU P 79 31. 286 8. 301 44. 919 1.00 44. 26 N

ATOM 4494 CA LEU P 79 30. 065 7. 559 45. 185 1.00 43. 83 C

ATOM 4495 C LEU P 79 29. 925 7. 423 46. 694 1.00 43. 74 C

ATOM 4496 O LEU P 79 30. 694 6. 701 47. 338 1.00 43. 63 O

ATOM 4497 CB LEU P 79 30. 124 6. 189 44. 513 1.00 43. 70 C

ATOM 4498 CG LEU P 79 29. 840 6. 026 43. 014 1.00 43. 45 C

-179-

# 10691216 vl

ATOM 4499 CDl LEU P 79 30.267 7.205 42.142 1.00 43.14 C

ATOM 4500 CD2 LEU P 79 30 .498 4.742 42 .532 1.00 43 .36 C

ATOM 4501 N LEU P 80 28 .970 8.155 47 .258 1.00 43 .57 N

ATOM 4502 CA LEU P 80 28 .731 8.136 48 .695 1.00 43 .44 C

ATOM 4503 C LEU P 80 27 .728 7.035 48 .994 1.00 43 .22 C

ATOM 4504 O LEU P 80 26 .594 7.084 48 .519 1.00 43 .55 O

ATOM 4505 CB LEU P 80 28 .229 9.504 49 .169 1.00 43 .53 C

ATOM 4506 CG LEU P 80 27 .981 9.791 50 .653 1.00 43 .75 C

ATOM 4507 CDl LEU P 80 29 .112 9.299 51 .543 1.00 44 .25 C

ATOM 4508 CD2 LEU P 80 27 .777 11.280 50 .851 1.00 43 .49 C

ATOM 4509 N LEU P 81 28 .157 6.041 49 .769 1.00 42 .89 N

ATOM 4510 CA LEU P 81 27 .383 4.816 49 .977 1.00 42 .55 C

ATOM 4511 C LEU P 81 26 .814 4.709 51 .393 1.00 42 .72 C

ATOM 4512 O LEU P 81 27 .541 4.862 52 .377 1.00 42 .97 O

ATOM 4513 CB LEU P 81 28 .245 3.591 49 .659 1.00 42 .39 C

ATOM 4514 CG LEU P 81 29 .086 3.603 48 .372 1.00 42 .02 C

ATOM 4515 CDl LEU P 81 29 .934 2.351 48 .255 1.00 40 .77 C

ATOM 4516 CD2 LEU P 81 28 .231 3.781 47 .116 1.00 41 .74 C

ATOM 4517 N LEU P 82 25 .512 4.439 51 .489 1.00 42 .67 N

ATOM 4518 CA LEU P 82 24 .819 4.354 52 .778 1.00 42 .22 C

ATOM 4519 C LEU P 82 24 .126 3.004 52 .961 1.00 42 .08 C

ATOM 4520 O LEU P 82 23 .156 2.690 52 .267 1.00 42 .24 O

ATOM 4521 CB LEU P 82 23 .798 5.488 52 .916 1.00 42 .29 C

ATOM 4522 CG LEU P 82 24 .183 6.920 52 .517 1.00 42 .12 C

ATOM 4523 CDl LEU P 82 22 .990 7.825 52 .721 1.00 41 .71 C

ATOM 4524 CD2 LEU P 82 25 .389 7.448 53 .296 1.00 41 .63 C

ATOM 4525 N HIS P 83 24 .631 2.230 53 .918 1.00 41 .70 N

ATOM 4526 CA HIS P 83 24 .187 0.862 54 .205 1.00 41 .31 C

ATOM 4527 C HIS P 83 22 .775 0.740 54 .808 1.00 41 .02 C

ATOM 4528 O HIS P 83 22 .202 1.723 55 .286 1.00 40 .61 O

ATOM 4529 CB HIS P 83 25 .191 0.220 55 .164 1.00 41 .44 C

ATOM 4530 CG HIS P 83 25 .344 0.965 56 .454 1.00 41 .94 C

ATOM 4531 NDl HIS P 83 24. .470 0.814 57. .511 1.00 42. .54 N

ATOM 4532 CD2 HIS P 83 26. .259 1.881 56. .853 1.00 42. .15 C

ATOM 4533 CEl HIS P 83 24. .843 1.599 58. .505 1.00 42. , 74 C

ATOM 4534 NE2 HIS P 83 25. .929 2.254 58. .134 1.00 42. .54 N

ATOM 4535 N GLY P 84 22. 240 -0.484 54. 803 1.00 40. 86 N

ATOM 4536 CA GLY P 84 20. 967 -0.789 55. 457 1.00 40. 73 C

ATOM 4537 C GLY P 84 21. 056 -0.779 56. 980 1.00 40. 79 C

ATOM 4538 O GLY P 84 22. 138 -0.600 57. 552 1.00 40. 48 O

ATOM 4539 N GLY P 85 19. 911 -0.972 57. 637 1.00 40. 80 N

ATOM 4540 CA GLY P 85 19. 833 -1.000 59. 100 1.00 41. 06 C

ATOM 4541 C GLY P 85 20. 601 -2.161 59. 712 1.00 41. 33 C

ATOM 4542 O GLY P 85 20. 586 -3.273 59. 191 1.00 41. 69 O

ATOM 4543 N GLY P 86 21. 286 -1.902 60. 817 1.00 41. 33 N

ATOM 4544 CA GLY P 86 22. 085 -2.921 61. 483 1.00 41. 35 C

ATOM 4545 C GLY P 86 23. 311 -3.382 60. 722 1.00 41. 29 C

ATOM 4546 O GLY P 86 23. 947 -4.360 61. 111 1.00 41. 20 O

ATOM 4547 N HIS P 87 23. 637 -2.690 59. 635 1.00 41. 48 N

ATOM 4548 CA HIS P 87 24. 830 -3.005 58. 851 1.00 41. 82 C

ATOM 4549 C HIS P 87 25. 943 -1.988 59. 058 1.00 41. 89 C

ATOM 4550 O HIS P 87 25. 989 -1.295 60. 072 1.00 42. 02 O

ATOM 4551 CB HIS P 87 24. 496 -3.085 57. 370 1.00 41. 86 C

ATOM 4552 CG HIS P 87 23. 646 -4.253 57. 014 1.00 42. 83 C

ATOM 4553 NDl HIS P 87 24. 163 -5.515 56. 825 1.00 44. 16 N

ATOM 4554 CD2 HIS P 87 22. 312 -4.354 56. 816 1.00 43. 64 C

ATOM 4555 CEl HIS P 87 23. 182 -6.346 56. 524 1.00 45. 17 C

-180-

# 10691216 v l

ATOM 4556 NE2 HIS P 87 22.048 -5.667 56.511 1.00 45.03 N

ATOM 4557 N SER P 88 26 .834 -1.913 58 .076 1.00 41 .96 N

ATOM 4558 CA SER P 88 27 .996 -1.048 58 .122 1.00 42 .01 C

ATOM 4559 C SER P 88 28 .501 -0.812 56 .707 1.00 42 .08 C

ATOM 4560 O SER P 88 28 .057 -1.465 55 .756 1.00 42 .17 O

ATOM 4561 CB SER P 88 29 .095 -1.700 58 .959 1.00 42 .14 C

ATOM 4562 OG SER P 88 29 .359 -3.015 58 .500 1.00 42 .26 O

ATOM 4563 N ALA P 89 29 .443 0.117 56 .579 1.00 42 .05 N

ATOM 4564 CA ALA P 89 30 .045 0.453 55 .298 1.00 42 .18 C

ATOM 4565 C ALA P 89 30 .591 -0.782 54 .579 1.00 42 .27 C

ATOM 4566 O ALA P 89 30 .716 -0.796 53 .349 1.00 42 .12 O

ATOM 4567 CB ALA P 89 31 .148 1.475 55 .502 1.00 42 .02 C

ATOM 4568 N LEU P 90 30 .900 -1.814 55 .362 1.00 42 .44 N

ATOM 4569 CA LEU P 90 31 .524 -3.033 54 .854 1.00 42 .85 C

ATOM 4570 C LEU P 90 30 .615 -3.826 53 .903 1.00 43 .01 C

ATOM 4571 O LEU P 90 31 .088 -4.680 53 .144 1.00 42 .93 O

ATOM 4572 CB LEU P 90 32 .008 -3.910 56 .017 1.00 42 .83 C

ATOM 4573 CG LEU P 90 33 .147 -3.358 56 .885 1.00 43 .40 C

ATOM 4574 CDl LEU P 90 33 .322 -4.166 58 .167 1.00 43 .07 C

ATOM 4575 CD2 LEU P 90 34 .455 -3.301 56 .107 1.00 43 .57 C

ATOM 4576 N SER P 91 29 .317 -3.530 53 .940 1.00 43 .11 N

ATOM 4577 CA SER P 91 28 .366 -4.105 52 .998 1.00 43 .36 C

ATOM 4578 C SER P 91 28 .695 -3.759 51 .546 1.00 43 .36 C

ATOM 4579 O SER P 91 28 .274 -4.459 50 .629 1.00 43 .49 O

ATOM 4580 CB SER P 91 26 .957 -3.640 53 .335 1.00 43 .23 C

ATOM 4581 OG SER P 91 26 .564 -4.167 54 .584 1.00 44 .38 O

ATOM 4582 N TRP P 92 29 .452 -2.684 51 .351 1.00 43 .39 N

ATOM 4583 CA TRP P 92 29 .761 -2.179 50 .021 1.00 43 .57 C

ATOM 4584 C TRP P 92 31 .126 -2.653 49 .534 1.00 43 .48 C

ATOM 4585 O TRP P 92 31 .562 -2.297 48 .434 1.00 43 .48 O

ATOM 4586 CB TRP P 92 29 .711 -0.645 50. .017 1.00 43 .82 C

ATOM 4587 CG TRP P 92 28. .378 -0.065 50. .433 1.00 44 .21 C

ATOM 4588 CDl TRP P 92 28. .027 0.370 51. .682 1.00 44 .48 C

ATOM 4589 CD2 TRP P 92 27. .229 0.142 49. 600 1.00 44. .20 C

ATOM 4590 NEl TRP P 92 26. .731 0.831 51. 679 1.00 44. .80 N

ATOM 4591 CE2 TRP P 92 26. .217 0.704 50. 415 1.00 44. .60 C

ATOM 4592 CE3 TRP P 92 26. .954 -0.091 48. 246 1.00 43. .75 C

ATOM 4593 CZ2 TRP P 92 24. 950 1.032 49. 921 1.00 44. 16 C

ATOM 4594 CZ3 TRP P 92 25. 694 0.237 47. 756 1.00 43. 96 C

ATOM 4595 CH2 TRP P 92 24. 709 0.790 48. 593 1.00 43. 87 C

ATOM 4596 N ALA P 93 31. 794 -3.459 50. 354 1.00 43. 40 N

ATOM 4597 CA ALA P 93 33. 175 -3.854 50. 093 1.00 43. 33 C

ATOM 4598 C ALA P 93 33. 360 -4.445 48. 699 1.00 43. 36 C

ATOM 4599 O ALA P 93 34. 183 -3.959 47. 915 1.00 43. 24 O

ATOM 4600 CB ALA P 93 33. 663 -4.821 51. 153 1.00 43. 23 C

ATOM 4601 N VAL P 94 32. 583 -5.478 48. 386 1.00 43. 29 N

ATOM 4602 CA VAL P 94 32. 759 -6.186 47. 123 1.00 43. 32 C

ATOM 4603 C VAL P 94 32. 354 -5.304 45. 951 1.00 43. 07 C

ATOM 4604 O VAL P 94 33. 102 -5.177 44. 986 1.00 43. 10 O

ATOM 4605 CB VAL P 94 32. 037 -7.546 47. 108 1.00 43. 45 C

ATOM 4606 CGl VAL P 94 32. 322 -8.290 45. 803 1.00 44. 00 C

ATOM 4607 CG2 VAL P 94 32. 507 -8.389 48. 283 1.00 43. 51 C

ATOM 4608 N PHE P 95 31. 182 -4.685 46. 059 1.00 43. 08 N

ATOM 4609 CA PHE P 95 30. 728 -3.671 45. 105 1.00 42. 84 C

ATOM 4610 C PHE P 95 31. 864 -2.726 44. 704 1.00 42. 63 C

ATOM 4611 O PHE P 95 32. 156 -2.560 43. 518 1.00 42. 40 O

ATOM 4612 CB PHE P 95 29. 556 -2.875 45. 695 1.00 42. 75 C

-181-

# 10691216 % !

ATOM 4613 CG PHE P 95 29.174 -1.668 44.887 1.00 42.88 C

ATOM 4614 CDl PHE P 95 28 .394 -1 .797 43 .742 1 .00 42 .58 C

ATOM 4615 CD2 PHE P 95 29 .598 -0 .400 45 .265 1 .00 43 .22 C

ATOM 4616 CEl PHE P 95 28 .049 -0 .679 42 .989 1 .00 42 .36 C

ATOM 4617 CE2 PHE P 95 29 .252 0 .724 44 .512 1 .00 42 .92 C

ATOM 4618 CZ PHE P 95 28 .479 0 .581 43 .377 1 .00 42 .28 C

ATOM 4619 N THR P 96 32 .504 -2 .128 45 .704 1 .00 42 .48 N

ATOM 4620 CA THR P 96 33 .585 -1 .178 45 .476 1 .00 42 .73 C

ATOM 4621 C THR P 96 34 .660 -1 .748 44 .539 1 .00 42 .77 C

ATOM 4622 O THR P 96 35 .021 -1 .119 43 .539 1 .00 42 .57 O

ATOM 4623 CB THR P 96 34 .217 -0 .743 46 .806 1 .00 42 .84 C

ATOM 4624 OGl THR P 96 33 .198 -0 .216 47 .666 1 .00 42 .74 O

ATOM 4625 CG2 THR P 96 35 .305 0 .305 46 .578 1 .00 43 .06 C

ATOM 4626 N ALA P 97 35 .148 -2 .944 44 .866 1 .00 42 .86 N

ATOM 4627 CA ALA P 97 36 .142 -3 .640 44 .050 1 .00 42 .86 C

ATOM 4628 C ALA P 97 35 .678 -3 .810 42 .594 1 .00 43 .01 C

ATOM 4629 O ALA P 97 36 .460 -3 .606 41 .653 1 .00 42 .81 O

ATOM 4630 CB ALA P 97 36 .484 -4 .988 44 .674 1 .00 42 .63 C

ATOM 4631 N ALA P 98 34 .400 -4 .156 42 .424 1 .00 43 .17 N

ATOM 4632 CA ALA P 98 33 .819 -4 .397 41 .107 1 .00 43 .29 C

ATOM 4633 C ALA P 98 33 .671 -3 . Ill 40 .303 1 .00 43 .62 C

ATOM 4634 O ALA P 98 33 .930 -3 .100 39 .097 1 .00 43 .79 O

ATOM 4635 CB ALA P 98 32 .484 -5 .104 41 .237 1 .00 43 .03 C

ATOM 4636 N ILE P 99 33 .278 -2 .029 40 .975 1 .00 43 .93 N

ATOM 4637 CA ILE P 99 32 .978 -0 .765 40 .298 1 .00 44 .09 C

ATOM 4638 C ILE P 99 34 .238 0 .028 39 .918 1 .00 44 .56 C

ATOM 4639 O ILE P 99 34 .303 0 .613 38 .835 1 .00 44 .61 O

ATOM 4640 CB ILE P 99 31 .936 0 .077 41 .105 1 .00 44 .06 C

ATOM 4641 CGl ILE P 99 31 .045 0 .911 40 .166 1 .00 44 .10 C

ATOM 4642 CG2 ILE P 99 32 .580 0 .845 42 .272 1 .00 43 .37 C

ATOM 4643 CDl ILE P 99 31 .522 2. .301 39 .890 1 .00 44 .49 C

ATOM 4644 N ILE P 100 35 .230 0. .027 40 .808 1. .00 44 .98 N

ATOM 4645 CA ILE P 100 36. .515 0. .682 40 .576 1. .00 45. .38 C

ATOM 4646 C ILE P 100 37. .190 0. .139 39 .311 1. .00 45. .70 C

ATOM 4647 O ILE P 100 37. .821 0. .888 38. .563 1. .00 45. .71 O

ATOM 4648 CB ILE P 100 37. ,433 0. 555 41. .841 1. .00 45. .55 C

ATOM 4649 CGl ILE P 100 37. 279 1. 783 42. ,758 1. .00 45. .93 C

ATOM 4650 CG2 ILE P 100 38. 908 0. 264 41. .490 1. 00 45. 35 C

ATOM 4651 CDl ILE P 100 37. 839 3. 094 42. 211 1. 00 46. 47 C

ATOM 4652 N SER P 101 37. 029 -1. 159 39. 067 1. 00 46. 13 N

ATOM 4653 CA SER P 101 37. 591 -1. 796 37. 879 1. 00 46. 48 C

ATOM 4654 C SER P 101 36. 687 -1. 624 36. 650 1. 00 46. 83 C

ATOM 4655 O SER P 101 36. 903 -2. 274 35. 621 1. 00 47. 08 O

ATOM 4656 CB SER P 101 37. 883 -3. 278 38. 144 1. 00 46. 34 C

ATOM 4657 OG SER P 101 36. 690 _ 2 985 38. 422 1. 00 46. 02 O

ATOM 4658 N ARG P 102 35. 686 -0. 750 36. 760 1. 00 47. 05 N

ATOM 4659 CA ARG P 102 34. 798 -0. 432 35. 640 1. 00 47. 33 C

ATOM 4660 C ARG P 102 34. 884 1. 031 35. 213 1. 00 47. 33 C

ATOM 4661 O ARG P 102 35. 056 1. 326 34. 023 1. 00 47. 58 O

ATOM 4662 CB ARG P 102 33. 351 -0. 809 35. 956 1. 00 47. 43 C

ATOM 4663 CG ARG P 102 32. 996 -2. 226 35. 559 1. 00 48. 32 C

ATOM 4664 CD ARG P 102 31. 526 -2. 534 35. 812 1. 00 49. 38 C

ATOM 4665 NE ARG P 102 31. 126 -3. 798 35. 193 1. 00 50. 30 N

ATOM 4666 CZ ARG P 102 31. 313 -5. 003 35. 731 1. 00 50. 71 C

ATOM 4667 NHl ARG P 102 31. 906 -5. 142 36. 915 1. 00 50. 05 N

ATOM 4668 NH2 ARG P 102 30. 906 -6. 081 35. 076 1. 00 51. 28 N

ATOM 4669 N VAL P 103 34. 754 1. 943 36. 175 1. 00 46. 99 N

-182-

#10691216 vl

ATOM 4670 CA VAL P 103 34.874 3.375 35.894 1.00 46.60 C

ATOM 4671 C VAL P 103 35 .838 4 .073 36 .846 1.00 46 .41 C

ATOM 4672 O VAL P 103 36 .076 3 .608 37 .960 1.00 46 .44 O

ATOM 4673 CB VAL P 103 33 .507 4 .101 35 .925 1.00 46 .53 C

ATOM 4674 CGl VAL P 103 32 .690 3 .768 34 .691 1.00 46 .47 C

ATOM 4675 CG2 VAL P 103 32 .742 3 .760 37 .186 1.00 46 .54 C

ATOM 4676 N GLN P 104 36 .398 5 .188 36 .391 1.00 46 .20 N

ATOM 4677 CA GLN P 104 37 .237 6 .021 37 .242 1.00 45 .90 C

ATOM 4678 C GLN P 104 36 .332 6 .822 38 .173 1.00 45 .48 C

ATOM 4679 O GLN P 104 35 .753 7 .841 37 .787 1.00 45 .51 O

ATOM 4680 CB GLN P 104 38 .150 6 .931 36 .412 1.00 45 .68 C

ATOM 4681 CG GLN P 104 39 .088 6 .180 35 .485 1.00 45 .78 C

ATOM 4682 CD GLN P 104 40 .089 7 .089 34 .785 1.00 46 .45 C

ATOM 4683 OEl GLN P 104 41 .066 7 .553 35 .388 1.00 46 .91 O

ATOM 4684 NE2 GLN P 104 39 .861 7 .330 33 .497 1.00 47 .08 N

ATOM 4685 N CYS P 105 36 .188 6 .318 39 .392 1.00 45 .03 N

ATOM 4686 CA CYS P 105 35 .397 6 .978 40 .415 1.00 44 .76 C

ATOM 4687 C CYS P 105 36 .113 6 .910 41 .758 1.00 44 .52 C

ATOM 4688 O CYS P 105 37 .144 6 .246 41 .897 1.00 44 .56 O

ATOM 4689 CB CYS P 105 34 .028 6 .319 40 .524 1.00 44 .75 C

ATOM 4690 SG CYS P 105 34 .129 4 .540 40 .777 1.00 45 .28 S

ATOM 4691 N ARG P 106 35 .575 7 .627 42 .736 1.00 44 .10 N

ATOM 4692 CA ARG P 106 35 .999 7 .479 44 .116 1.00 43 .66 C

ATOM 4693 C ARG P 106 34 .847 6 .899 44 .938 1.00 43 .32 C

ATOM 4694 O ARG P 106 33 .674 7 .048 44 .577 1.00 43 .28 O

ATOM 4695 CB ARG P 106 36 .476 8 .814 44 .683 1.00 43 .66 C

ATOM 4696 CG ARG P 106 37 .821 9 .266 44 .131 1.00 44 .26 C

ATOM 4697 CD ARG P 106 38 .306 10 .541 44 .802 1.00 44 .98 C

ATOM 4698 NE ARG P 106 37 .383 11 .647 44 .558 1.00 45 .89 N

ATOM 4699 CZ ARG P 106 37 .626 12 .685 43 .762 1.00 46. .07 C

ATOM 4700 NHl ARG P 106 38 .783 12 .797 43 .120 1.00 46. .04 N

ATOM 4701 NH2 ARG P 106 36 .702 13 .623 43. .618 1.00 46. .05 N

ATOM 4702 N ILE P 107 35. .194 6. .221 46. .029 1.00 42. .77 N

ATOM 4703 CA ILE P 107 34. .219 5. , 575 46. .899 1.00 42. 16 C

ATOM 4704 C ILE P 107 34. .349 6. .111 48. .324 1.00 42. 02 C

ATOM 4705 O ILE P 107 35. .448 6. .162 48. ,888 1.00 41. 96 O

ATOM 4706 CB ILE P 107 34. .392 4. 029 46. 880 1.00 42. 14 C

ATOM 4707 CGl ILE P 107 34. 013 3. 455 45. 505 1.00 41. 89 C

ATOM 4708 CG2 ILE P 107 33. 632 3. 348 48. 043 1.00 41. 55 C

ATOM 4709 CDl ILE P 107 32. 517 3. 297 45. 251 1.00 41. 70 C

ATOM 4710 N VAL P 108 33. 220 6. 536 48. 883 1.00 41. 64 N

ATOM 4711 CA VAL P 108 33. 138 6. 887 50. 296 1.00 41. 27 C

ATOM 4712 C VAL P 108 31. 989 6. 102 50. 920 1.00 41. 04 C

ATOM 4713 O VAL P 108 30. 820 6. 475 50. 799 1.00 41. 13 O

ATOM 4714 CB VAL P 108 32. 969 8. 411 50. 515 1.00 41. 36 C

ATOM 4715 CGl VAL P 108 32. 651 8. 717 51. 979 1.00 41. 12 C

ATOM 4716 CG2 VAL P 108 34. 231 9. 161 50. 068 1.00 41. 02 C

ATOM 4717 N ALA P 109 32. 339 4. 991 51. 559 1.00 40. 58 N

ATOM 4718 CA ALA P 109 31. 368 4. 121 52. 199 1.00 39. 98 C

ATOM 4719 C ALA P 109 31. 283 4. 498 53. 673 1.00 39. 71 C

ATOM 4720 O ALA P 109 32. 222 4. 262 54. 432 1.00 39. 83 O

ATOM 4721 CB ALA P 109 31. 786 2. 670 52. 028 1.00 39. 92 C

ATOM 4722 N LEU P 110 30. 161 5. 088 54. 073 1.00 39. 33 N

ATOM 4723 CA LEU P 110 30. 027 5. 665 55. 412 1.00 38. 93 C

ATOM 4724 C LEU P 110 29. 337 4. 752 56. 418 1.00 38. 86 C

ATOM 4725 O LEU P 110 28. 254 4. 248 56. 156 1.00 38. 73 O

ATOM 4726 CB LEU P 110 29. 290 7. 006 55. 323 1.00 38. 89 C

-183- rilO6912I6 i l

ATOM 4727 CG LED P 110 28.670 7.633 56.573 1.00 38.75 C

ATOM 4728 CDl LEU P 110 29 .737 8.074 57 .566 1 .00 39 .62 C

ATOM 4729 CD2 LEU ^' P 110 27 .798 8.815 56 .182 1 .00 38 .55 C

ATOM 4730 N ASP P 111 29 .981 4.537 57 .565 1 .00 39 .01 N

ATOM 4731 CA ASP P 111 29 .331 3.912 58 .724 1 .00 39 .15 C

ATOM 4732 C ASP P 111 28 .383 4.946 59 .335 1 .00 39 .16 C

ATOM 4733 O ASP P 111 28 .838 5.943 59 .883 1 .00 39 .49 O

ATOM 4734 CB ASP P 111 30 .362 3.499 59 .788 1 .00 39 .04 C

ATOM 4735 CG ASP P 111 30 .926 2.094 59 .581 1 .00 39 .19 C

ATOM 4736 ODl ASP P 111 30 .388 1.332 58 .748 1 .00 39 .49 O

ATOM 4737 OD2 ASP P 111 31 .914 1.750 60 .281 1 .00 38 .32 O

ATOM 4738 N LEU P 112 27 .078 4.719 59 .235 1 .00 39 .05 N

ATOM 4739 CA LEU P 112 26 .093 5.633 59 .814 1 .00 39 .11 C

ATOM 4740 C LEU P 112 26 .094 5.560 61 .346 1 .00 38 .98 C

ATOM 4741 O LEU P 112 26 .674 4.640 61 .920 1 .00 38 .80 O

ATOM 4742 CB LEU P 112 24 .696 5.350 59 .244 1 .00 39 .29 C

ATOM 4743 CG LEU P 112 24 .449 5.786 57 .792 1 .00 39 .68 C

ATOM 4744 CDl LEU P 112 23 .441 4.880 57 .085 1 .00 39 .26 C

ATOM 4745 CD2 LEU P 112 24 .021 7.252 57 .714 1 .00 39 .91 C

ATOM 4746 N ARG P 113 25 .453 6.531 62 .002 1 .00 39 .03 N

ATOM 4747 CA ARG P 113 25 .470 6.618 63 .470 1 .00 39 .17 C

ATOM 4748 C ARG P 113 24 .934 5.353 64 .125 1 .00 39 .25 C

ATOM 4749 O ARG P 113 24 .036 4.697 63 .589 1 .00 39 .25 O

ATOM 4750 CB ARG P 113 24 .739 7.870 63 .984 1 .00 39 .11 C

ATOM 4751 CG ARG P 113 23 .236 7.734 64 .185 1 .00 39 .19 C

ATOM 4752 CD ARG P 113 22 .539 9.092 64 .123 1 .00 39 .70 C

ATOM 4753 NE ARG P 113 22 .537 9.805 65 .399 1 .00 39 .83 N

ATOM 4754 CZ ARG P 113 23 .375 10.788 65 .733 1 .00 40 .08 C

ATOM 4755 NHl ARG P 113 24 .317 11.204 64 .898 1 .00 39 .92 N

ATOM 4756 NH2 ARG P 113 23 .272 11.361 66 .924 1 .00 40 .05 N

ATOM 4757 N SER P 114 25 .525 5.008 65. .268 1 .00 39 .28 N

ATOM 4758 CA SER P 114 25 .227 3.771 65. .998 1, .00 39 .29 C

ATOM 4759 C SER P 114 25, .657 2.499 65. ,255 1 , .00 39. .27 C

ATOM 4760 O SER P 114 25. .573 1.399 65. ,806 1. .00 39. .26 O

ATOM 4761 CB SER P 114 23. .747 3.708 66. ,376 1. .00 39. .25 C

ATOM 4762 OG SER P 114 23. .339 4.915 66. 991 1. ,00 39. ,49 O

ATOM 4763 N HIS P 115 26. .130 2.656 64. 018 1. 00 39. ,24 N

ATOM 4764 CA HIS P 115 26. 560 1.526 63. 193 1. 00 39. 27 C

ATOM 4765 C HIS P 115 28. 076 1.473 63. 025 1. 00 39. 45 C

ATOM 4766 O HIS P 115 28. 765 2.483 63. 189 1. 00 39. 36 O

ATOM 4767 CB HIS P 115 25. 894 1.586 61. 818 1. 00 39. 26 C

ATOM 4768 CG HIS P 115 24. 412 1.381 61. 855 1. 00 38. 95 C

ATOM 4769 NDl HIS P 115 23. 536 2.361 62. 270 1. 00 38. 67 N

ATOM 4770 CD2 HIS P 115 23. 652 0.310 61. 530 1. 00 38. 41 C

ATOM 4771 CEl HIS P 115 22. 301 1.901 62. 201 1. 00 38. 24 C

ATOM 4772 NE2 HIS P 115 22. 344 0.660 61. 753 1. 00 38. 27 N

ATOM 4773 N GLY P 116 28. 581 0.287 62. 696 1. 00 39. 70 N

ATOM 4774 CA GLY P 116 30. 006 0.076 62. 456 1. 00 40. 18 C

ATOM 4775 C GLY P 116 30. 862 0.609 63. 584 1. 00 40. 46 C

ATOM 4776 O GLY P 116 30. 654 0.243 64. 743 1. 00 40. 57 O

ATOM 4777 N GLU P 117 31. 809 1.487 63. 247 1. 00 40. 74 N

ATOM 4778 CA GLU P 117 32. 707 2.083 64. 248 1. 00 41. 03 C

ATOM 4779 C GLU P 117 32. 441 3.574 64. 486 1. 00 41. 34 C

ATOM 4780 O GLU P 117 33. 342 4.312 64. 880 1. 00 41. 48 O

ATOM 4781 CB GLU P 117 34. 186 1.845 63. 889 1. 00 40. 80 C

ATOM 4782 CG GLU P 117 34. 629 0.375 63. 872 1. 00 40. 27 C

ATOM 4783 CD GLU P 117 34. 763 -0.246 65. 254 1. 00 39. 72 C

-184-

# 10691216 vl

ATOM 4784 OEl GLU P 117 34.924 0.489 66.251 1.00 39.47 O

ATOM 4785 OE2 GLU P 117 34 .718 -1 .487 65 .343 1 .00 39 .76 O

ATOM 4786 N THR P 118 31 .200 4 .001 64 .267 1 .00 41 .77 N

ATOM 4787 CA THR P 118 30 .810 5 .398 64 .437 1 .00 42 .24 C

ATOM 4788 C THR P 118 30 .432 5 .710 65 .882 1 .00 42 .64 C

ATOM 4789 O THR P 118 29 .381 5 .296 66 .374 1 .00 42 .46 O

ATOM 4790 CB THR P 118 29 .650 5 .769 63 .496 1 .00 42 .24 C

ATOM 4791 OGl THR P 118 30 .053 5 .541 62 .147 1 .00 42 .09 O

ATOM 4792 CG2 THR P 118 29 .268 7 .225 63 .643 1 .00 42 .61 C

ATOM 4793 N LYS P 119 31 .304 6 .455 66 .548 1 .00 43 .52 N

ATOM 4794 CA LYS P 119 31 .120 6 .812 67 .950 1 .00 44 .34 C

ATOM 4795 C LYS P 119 30 .456 8 .182 68 .018 1 .00 44 .75 C

ATOM 4796 O LYS P 119 31 .037 9 .188 67 .611 1 .00 44 .80 O

ATOM 4797 CB LYS P 119 32 .460 6 .837 68 .697 1 .00 44 .25 C

ATOM 4798 CG LYS P 119 33 .625 6 .135 67 .995 1 .00 44 .88 C

ATOM 4799 CD LYS P 119 33 .653 4 .624 68 .228 1 .00 45 .90 C

ATOM 4800 CE LYS P 119 34 .972 4 .035 67 .723 1 .00 46 .49 C

ATOM 4801 NZ LYS P 119 35 .139 2 .595 68 .048 1 .00 46 .64 N

ATOM 4802 N VAL P 120 29 .227 8 .206 68 .520 1 .00 45 .33 N

ATOM 4803 CA VAL P 120 28 .444 9 .429 68 .592 1 .00 45 .89 C

ATOM 4804 C VAL P 120 28 .040 9 .694 70 .041 1 .00 46 .38 C

ATOM 4805 O VAL P 120 27 .670 8 .765 70 .764 1 .00 46 .63 O

ATOM 4806 CB VAL P 120 27 .190 9 .333 67 .698 1 .00 45 .86 C

ATOM 4807 CGl VAL P 120 26 .351 10 .591 67 .805 1 .00 46 .29 C

ATOM 4808 CG2 VAL P 120 27 .587 9 .098 66 .251 1 .00 45 .95 C

ATOM 4809 N LYS P 121 28 .124 10 .958 70 .460 1 .00 46 .84 N

ATOM 4810 CA LYS P 121 27 .711 11 .374 71 .808 1 .00 47 .12 C

ATOM 4811 C LYS P 121 26 .264 10 .948 72 .099 1 .00 47 .38 C

ATOM 4812 O LYS P 121 25. .923 10. .613 73 .239 1 .00 47, .54 O

ATOM 4813 CB LYS P 121 27. .901 12. .894 71 .984 1. .00 46. .93 C

ATOM 4814 CG LYS P 121 27. .158 13. .547 73 .164 1. .00 47. .01 C

ATOM 4815 CD LYS P 121 27. .756 13. .202 74 .531 1. .00 46. .64 C

ATOM 4816 CE LYS P 121 26. .966 13. .854 75. .659 1. .00 46. .16 C

ATOM 4817 NZ LYS P 121 27. ,477 13. 444 76. .991 1. .00 45. .57 N

ATOM 4818 N ASN P 122 25. 436 10. 943 71. .054 1. 00 47. 48 N

ATOM 4819 CA ASN P 122 24. 032 10. 561 71. .161 1. 00 47. 68 C

ATOM 4820 C ASN P 122 23. 658 9. 444 70. .166 1. 00 47. 83 C

ATOM 4821 O ASN P 122 23. 196 9. 724 69. 053 1. 00 47. 79 O

ATOM 4822 CB ASN P 122 23. 150 11. 801 70. 975 1. 00 47. 75 C

ATOM 4823 CG ASN P 122 21. 676 11. 522 71. 210 1. 00 47. 99 C

ATOM 4824 ODl ASN P 122 21. 307 10. 550 71. 870 1. 00 48. 43 O

ATOM 4825 ND2 ASN P 122 20. 823 12. 383 70. 666 1. 00 48. 21 N

ATOM 4826 N PRO P 123 23. 860 8. 170 70. 565 1. 00 47. 89 N

ATOM 4827 CA PRO P 123 23. 622 7. 061 69. 649 1. 00 47. 95 C

ATOM 4828 C PRO P 123 22. 190 6. 520 69. 704 1. 00 48. 07 C

ATOM 4829 O PRO P 123 21. 886 5. 522 69. 048 1. 00 48. 05 O

ATOM 4830 CB PRO P 123 24. 620 6. 006 70. 133 1. 00 47. 92 C

ATOM 4831 CG PRO P 123 24. 769 6. 268 71. 600 1. 00 47. 84 C

ATOM 4832 CD PRO P 123 24. 326 7. 691 71. 879 1. 00 47. 92 C

ATOM 4833 N GLU P 124 21. 323 7. 176 70. 471 1. 00 48. 19 N

ATOM 4834 CA GLU P 124 19. 936 6. 734 70. 612 1. 00 48. 48 C

ATOM 4835 C GLU P 124 18. 991 7. 386 69. 580 1. 00 48. 56 C

ATOM 4836 O GLU P 124 17. 973 6. 797 69. 199 1. 00 48. 61 O

ATOM 4837 CB GLU P 124 19. 455 6. 962 72. 050 1. 00 48. 53 C

ATOM 4838 CG GLU P 124 18. 273 6. 096 72. 473 1. 00 49. 03 C

ATOM 4839 CD GLU P 124 16. 972 6. 879 72. 535 1. 00 49. 93 C

ATOM 4840 OEl GLU P 124 16. 750 7. 575 73. 552 1. 00 49. 80 O

-185- fi 10691216 vl

ATOM 4841 OE2: GLU P 124 16.170 6.792 71.576 1.00 50 ^■ .18 O

ATOM 4842 N ASP P 125 19 .350 8 .582 69 .116 1 .00 48 .55 N

ATOM 4843 CA ASP P 125 18 .543 9 .331 68 .147 1 .00 48 .48 C

ATOM 4844 C ASP P 125 18 .817 8 .915 66 .696 1 .00 48 .34 C

ATOM 4845 O ASP P 125 19 .804 9 .347 66 .090 1 .00 48 .34 O

ATOM 4846 CB ASP P 125 18 .773 10 .837 68 .333 1 .00 48 .60 C

ATOM 4847 CG ASP P 125 18 .039 11 .682 67 .306 1 .00 48 .98 C

ATOM 4848 ODl ASP P 125 16 .958 11 .273 66 .828 1 .00 49 .56 O

ATOM 4849 OD2 ASP P 125 18 .547 12 .773 66 .981 1 .00 49 .47 O

ATOM 4850 N LEU P 126 17 .930 8 .087 66 .143 1 .00 48 .11 N

ATOM 4851 CA LEU P 126 18 .080 7 .585 64 .774 1 .00 47 .90 C

ATOM 4852 C LEU P 126 16 .922 8 .001 63 .872 1 .00 47 .86 C

ATOM 4853 O LEU P 126 16 .380 7 .188 63 .117 1 .00 47 .74 O

ATOM 4854 CB LEU P 126 18 .253 6 .067 64 .771 1 .00 47 .79 C

ATOM 4855 CG LEU P 126 19 .644 5 .590 65 .181 1 .00 47 .85 C

ATOM 4856 CDl LEU P 126 19 .547 4 .505 66 .235 1 .00 48 .35 C

ATOM 4857 CD2 LEU P 126 20 .438 5 .119 63 .977 1 .00 47 .85 C

ATOM 4858 N SER P 127 16 .556 9 .276 63 .958 1 .00 47 .70 N

ATOM 4859 CA SER P 127 15 .526 9 .842 63 .106 1 .00 47 .63 C

ATOM 4860 C SER P 127 16 .085 10 .052 61 .706 1 .00 47 .55 C

ATOM 4861 O SER P 127 17 .304 10 .168 61 .528 1 .00 47 .60 O

ATOM 4862 CB SER P 127 15 .022 11 .166 63 .685 1 .00 47 .73 C

ATOM 4863 OG SER P 127 16 .073 12 .109 63 .795 1 .00 47 .93 O

ATOM 4864 N ALA P 128 15 .188 10 .091 60 .721 1 .00 47 .33 N

ATOM 4865 CA ALA P 128 15 .562 10 .282 59 .323 1 .00 47 .09 C

ATOM 4866 C ALA P 128 16 .366 11 .564 59 .141 1 .00 47 .08 C

ATOM 4867 O ALA P 128 17 .348 11 .594 58 .396 1 .00 46 .98 O

ATOM 4868 CB ALA P 128 14 .320 10 .302 58. .441 1 .00 46 .99 C

ATOM 4869 N GLU P 129 15 .950 12 .611 59. .849 1. .00 47 .05 N

ATOM 4870 CA GLU P 129 16 .556 13 .934 59. .729 1. .00 47 .09 C

ATOM 4871 C GLU P 129 17 .961 13 .955 60. .314 1. .00 46 .60 C

ATOM 4872 O GLU P 129 18 .890 14. .451 59. .677 1. .00 46 .91 O

ATOM 4873 CB GLU P 129 15. .691 15. .011 60. .401 1. .00 47. .30 C

ATOM 4874 CG GLU P 129 14. .188 14. .826 60. 214 1. 00 48. .47 C

ATOM 4875 CD GLU P 129 13. .608 13. .810 61. 185 1. 00 49. .69 C

ATOM 4876 OEl GLU P 129 13. .282 12. .686 60. 738 1. 00 49. .46 O

ATOM 4877 OE2 GLU P 129 13. .506 14. 131 62. 394 1. 00 50. .24 O

ATOM 4878 N THR P 130 18. , 114 13. 411 61. 518 1. 00 45. .81 N

ATOM 4879 CA THR P 130 19. 408 13. 422 62. 191 1. 00 45. 03 C

ATOM 4880 C THR P 130 20. 461 12. 661 61. 382 1. 00 44. 76 C

ATOM 4881 O THR P 130 21. 597 13. 118 61. 254 1. 00 44. 75 O

ATOM 4882 CB THR P 130 19. 316 12. 862 63. 625 1. 00 44. 90 C

ATOM 4883 OGl THR P 130 18. 284 13. 552 64. 339 1. 00 44. 05 O

ATOM 4884 CG2 THR P 130 20. 636 13. 043 64. 360 1. 00 44. 78 C

ATOM 4885 N MET P 131 20. 070 11. 520 60. 822 1. 00 44. 31 N

ATOM 4886 CA MET P 131 21. 000 10. 661 60. 096 1. 00 43. 89 C

ATOM 4887 C MET P 131 21. 397 11. 272 58. 758 1. 00 43. 71 C

ATOM 4888 O MET P 131 22. 511 11. 055 58. 283 1. 00 43. 66 O

ATOM 4889 CB MET P 131 20. 406 9. 265 59. 895 1. 00 43. 90 C

ATOM 4890 CG MET P 131 20. 241 8. 468 61. 181 1. 00 43. 68 C

ATOM 4891 SD MET P 131 19. 645 6. 783 60. 915 1. 00 43. 92 S

ATOM 4892 CE MET P 131 21. 114 5. 975 60. 280 1. 00 43. 28 C

ATOM 4893 N ALA P 132 20. 476 12. 030 58. 161 1. 00 43. 53 N

ATOM 4894 CA ALA P 132 20. 720 12. 745 56. 906 1. 00 43. 30 C

ATOM 4895 C ALA P 132 21. 607 13. 964 57. 157 1. 00 43. 26 C

ATOM 4896 O ALA P 132 22. 516 14. 260 56. 369 1. 00 43. 28 O

ATOM 4897 CB ALA P 132 19. 404 13. 165 56. 275 1. 00 43. 21 C

-186-

(( 10691216 v!

ATOM 4898 N LYS P 133 21.325 14.658 58.261 1.00 43.01 N

ATOM 4899 CA LYS P 133 22 .144 15 .756 58 .754 1 .00 42 .80 C

ATOM 4900 C LYS P 133 23 .586 15 .278 58 .917 1 .00 42 .55 C

ATOM 4901 O LYS P 133 24 .529 16 .006 58 .601 1 .00 42 .67 O

ATOM 4902 CB LYS P 133 21 .591 16 .255 60 .090 1 .00 42 .74 C

ATOM 4903 CG LYS P 133 22 .311 17 .461 60 .682 1 .00 43 .64 C

ATOM 4904 CD LYS P 133 21 .509 18 .756 60 .549 1 .00 45 .11 C

ATOM 4905 CE LYS P 133 21 .734 19 .458 59 .211 1 .00 45 .94 C

ATOM 4906 NZ LYS P 133 21 .245 20 .870 59 .246 1 .00 46 .13 N

ATOM 4907 N ASP P 134 23 .742 14 .044 59 .392 1 .00 42 .19 N

ATOM 4908 CA ASP P 134 25 .057 13 .452 59 .610 1 .00 41 .89 C

ATOM 4909 C ASP P 134 25 .806 13 .273 58 .309 1 .00 41 .77 C

ATOM 4910 O ASP P 134 26 .978 13 .647 58 .214 1 .00 41 .90 O

ATOM 4911 CB ASP P 134 24 .939 12 .108 60 .321 1 .00 41 .70 C

ATOM 4912 CG ASP P 134 24 .549 12 .249 61 .775 1 .00 41 .66 C

ATOM 4913 ODl ASP P 134 24 .470 13 .389 62 .288 1 .00 40 .97 O

ATOM 4914 OD2 ASP P 134 24 .318 11 .202 62 .407 1 .00 41 .92 O

ATOM 4915 N VAL P 135 25 .121 12 .706 57 .317 1 .00 41 .43 N

ATOM 4916 CA VAL P 135 25 .687 12 .504 55 .987 1 .00 41 .12 C

ATOM 4917 C VAL P 135 26 .225 13 .820 55 .435 1 .00 41 .14 C

ATOM 4918 O VAL P 135 27 .362 13 .883 54 .966 1 .00 41 .09 O

ATOM 4919 CB VAL P 135 24 .649 11 .920 55 .003 1 .00 41 .08 C

ATOM 4920 CGl VAL P 135 25 .307 11 .576 53 .672 1 .00 40 .84 C

ATOM 4921 CG2 VAL P 135 23 .989 10 .695 55 .593 1 .00 40 .77 C

ATOM 4922 N GLY P 136 25 .405 14 .868 55 .511 1 .00 41 .14 N

ATOM 4923 CA GLY P 136 25 .788 16 .192 55 .033 1 .00 41 .15 C

ATOM 4924 C GLY P 136 27 .036 16 .703 55 .721 1 .00 41 .29 C

ATOM 4925 O GLY P 136 27 .927 17 .260 55 .078 1 .00 41 .39 O

ATOM 4926 N ASN P 137 27 .100 16 .494 57 .034 1 .00 41 .34 N

ATOM 4927 CA ASN P 137 28 .208 16 .978 57 .849 1. .00 41 .34 C

ATOM 4928 C ASN P 137 29. .524 16. .265 57. .579 1. .00 41 .33 C

ATOM 4929 O ASN P 137 30. .592 16. .876 57. .655 1. .00 41 .26 O

ATOM 4930 CB ASN P 137 27. .848 16. .893 59. .332 1. .00 41. .39 C

ATOM 4931 CG ASN P 137 26. .854 17. .958 59. .751 1. .00 41. .42 C

ATOM 4932 ODl ASN P 137 26. .525 18. .861 58. .980 1. 00 41. .63 O

ATOM 4933 ND2 ASN P 137 26. .368 17. .859 60. .979 1. 00 41. .74 N

ATOM 4934 N VAL P 138 29. 436 14. 975 57. 264 1. 00 41. .39 N

ATOM 4935 CA VAL P 138 30. 607 14. 182 56. 898 1. 00 41. .39 C

ATOM 4936 C VAL P 138 31. 204 14. 751 55. 614 1. 00 41. 56 C

ATOM 4937 O VAL P 138 32. 423 14. 877 55. 495 1. 00 41. 57 O

ATOM 4938 CB VAL P 138 30. 259 12. 680 56. 729 1. 00 41. 26 C

ATOM 4939 CGl VAL P 138 31. 455 11. 896 56. 201 1. 00 41. 14 C

ATOM 4940 CG2 VAL P 138 29. 788 12. 087 58. 050 1. 00 41. 17 C

ATOM 4941 N VAL P 139 30. 332 15. 113 54. 675 1. 00 41. 74 N

ATOM 4942 CA VAL P 139 30. 739 15. 757 53. 427 1. 00 42. 03 C

ATOM 4943 C VAL P 139 31. 490 17. 063 53. 700 1. 00 42. 25 C

ATOM 4944 O VAL P 139 32. 616 17. 241 53. 230 1. 00 42. 33 O

ATOM 4945 CB VAL P 139 29. 524 16. 006 52. 492 1. 00 42. 23 C

ATOM 4946 CGl VAL P 139 29. 920 16. 855 51. 271 1. 00 41. 83 C

ATOM 4947 CG2 VAL P 139 28. 889 14. 673 52. 065 1. 00 41. 86 C

ATOM 4948 N GLU P 140 30. 878 17. 963 54. 471 1. 00 42. 41 N

ATOM 4949 CA GLU P 140 31. 527 19. 227 54. 816 1. 00 42. 73 C

ATOM 4950 C GLU P 140 32. 862 19. 004 55. 533 1. 00 42. 74 C

ATOM 4951 O GLU P 140 33. 870 19. 604 55. 167 1. 00 42. 60 O

ATOM 4952 CB GLU P 140 30. 608 20. 123 55. 654 1. 00 42. 80 C

ATOM 4953 CG GLU P 140 31. 127 21. 558 55. 817 1. 00 42. 75 C

ATOM 4954 CD GLU P 140 30. 431 22. 332 56. 930 1. 00 43. 03 C

-187-

#10691216 vt

ATOM 4955 OEl GLU P 140 31.005 23.341 57.413 1.00 44.02 O

ATOM 4956 OE2 GLU P 140 29 .312 21 .940 57 .325 1 .00 43 .09 O

ATOM 4957 N ALA P 141 32 .863 18 .128 56 .535 1 .00 42 .88 N

ATOM 4958 CA ALA P 141 34 .069 17 .839 57 .313 1 .00 43 .20 C

ATOM 4959 C ALA P 141 35 .208 17 .253 56 .473 1 .00 43 .41 C

ATOM 4960 O ALA P 141 36 .377 17 .567 56 .705 1 .00 43 .31 O

ATOM 4961 CB ALA P 141 33 .742 16 .925 58 .486 1 .00 43 .19 C

ATOM 4962 N MET P 142 34 .862 16 .412 55 .500 1 .00 43 .78 N

ATOM 4963 CA MET P 142 35 .853 15 .812 54 .606 1 .00 44 .11 C

ATOM 4964 C MET P 142 36 .361 16 .797 53 .558 1 .00 44 .38 C

ATOM 4965 O MET P 142 37 .557 16 .810 53 .258 1 .00 44 .47 O

ATOM 4966 CB MET P 142 35 .293 14 .564 53 .924 1 .00 44 .06 C

ATOM 4967 CG MET P 142 35 .250 13 .329 54 .814 1 .00 44 .05 C

ATOM 4968 SD MET P 142 34 .534 11 .897 53 .990 1 .00 44 .37 S

ATOM 4969 CE MET P 142 35 .873 11 .426 52 .896 1 .00 44 .65 C

ATOM 4970 N TYR P 143 35 .455 17 .612 53 .009 1 .00 44 .63 N

ATOM 4971 CA TYR P 143 35 .808 18 .603 51 .982 1 .00 44 .93 C

ATOM 4972 C TYR P 143 35 .327 20 .004 52 .358 1 .00 45 .22 C

ATOM 4973 O TYR P 143 36 .130 20 .868 52 .706 1 .00 45 .12 O

ATOM 4974 CB TYR P 143 35 .228 18 .222 50 .607 1 .00 44 .90 C

ATOM 4975 CG TYR P 143 34 .978 16 .747 50 .395 1 .00 44 .52 C

ATOM 4976 CDl TYR P 143 36 .032 15 .867 50 .151 1 .00 44 .17 C

ATOM 4977 CD2 TYR P 143 33 .681 16 .234 50 .426 1 .00 44 .18 C

ATOM 4978 CEl TYR P 143 35 .801 14 .513 49 .956 1 .00 44 .24 C

ATOM 4979 CE2 TYR P 143 33 .440 14 .885 50 .234 1 .00 43 .73 C

ATOM 4980 CZ TYR P 143 34 .503 14 .032 49 .998 1 .00 44 .29 C

ATOM 4981 OH TYR P 143 34 .273 12 .693 49 .809 1 .00 44 .90 O

ATOM 4982 N GLY P 144 34 .012 20 .215 52 .272 1 .00 45 .70 N

ATOM 4983 CA GLY P 144 33 .389 21 .507 52 .569 1 .00 46 .05 C

ATOM 4984 C GLY P 144 33 .687 22 .555 51 .519 1 .00 46 .26 C

ATOM 4985 O GLY P 144 32 .817 22 .928 50. .729 1 .00 46 .18 O

ATOM 4986 N ASP P 145 34 .934 23 .021 51. .521 1. .00 46 .60 N

ATOM 4987 CA ASP P 145 35. .425 24 .034 50. .583 1. .00 46. .85 C

ATOM 4988 C ASP P 145 35. .409 23 .522 49. .134 1. .00 47. , 01 C

ATOM 4989 O ASP P 145 35. ,193 24 , .288 48. 191 1. .00 46. .96 O

ATOM 4990 CB ASP P 145 36. , 850 24. .445 50. 969 1. .00 46. .83 C

ATOM 4991 CG ASP P 145 37. .171 24. .162 52. 437 1. 00 47. 14 C

ATOM 4992 ODl ASP P 145 36. 642 24. .870 53. 323 1. 00 47. 41 O

ATOM 4993 OD2 ASP P 145 37. 961 23. .230 52. 704 1. 00 47. 05 O

ATOM 4994 N LEU P 146 35. 620 22. 217 48. 973 1. 00 47. 19 N

ATOM 4995 CA LEU P 146 35. 786 21. 611 47. 660 1. 00 47. 25 C

ATOM 4996 C LEU P 146 34. 973 20. 319 47. 550 1. 00 47. 12 C

ATOM 4997 O LEU P 146 35. 552 19. 237 47. 466 1. 00 47. 27 O

ATOM 4998 CB LEU P 146 37. 278 21. 322 47. 423 1. 00 47. 35 C

ATOM 4999 CG LEU P 146 37. 893 21. 268 46. 019 1. 00 47. 65 C

ATOM 5000 CDl LEU P 146 39. 404 21. 519 46. 109 1. 00 47. 27 C

ATOM 5001 CD2 LEU P 146 37. 586 19. 953 45. 267 1. 00 47. 49 C

ATOM 5002 N PRO P 147 33. 629 20. 419 47. 555 1. 00 46. 99 N

ATOM 5003 CA PRO P 147 32. 868 19. 186 47. 393 1. 00 46. 84 C

ATOM 5004 C PRO P 147 32. 915 18. 716 45. 938 1. 00 46. 76 C

ATOM 5005 O PRO P 147 32. 535 19. 468 45. 036 1. 00 46. 81 O

ATOM 5006 CB PRO P 147 31. 450 19. 580 47. 812 1. 00 46. 78 C

ATOM 5007 CG PRO P 147 31. 367 21. 035 47. 572 1. 00 46. 89 C

ATOM 5008 CD PRO P 147 32. 754 21. 599 47. 698 1. 00 47. 06 C

ATOM 5009 N PRO P 148 33. 408 17. 484 45. 706 1. 00 46. 60 N

ATOM 5010 CA PRO P 148 33. 520 16. 969 44. 349 1. 00 46. 31 C

ATOM 5011 C PRO P 148 32. 197 16. 354 43. 909 1. 00 46. 02 C

-188-

(,'10691216 vl

ATOM 5012 O PRO P 148 31.343 16.106 44.760 1.00 46.03 O

ATOM 5013 CB PRO P 148 34 .596 15 .891 44 .482 1 .00 46 .39 C

ATOM 5014 CG PRO P 148 34 .478 15 .398 45 .884 1 .00 46 .45 C

ATOM 5015 CD PRO P 148 33 .875 16 .507 46 .710 1 .00 46 .61 C

ATOM 5016 N PRO P 149 32 .010 16 .130 42 .589 1 .00 45 .74 N

ATOM 5017 CA PRO P 149 30 .815 15 .429 42 .132 1 .00 45 .41 C

ATOM 5018 C PRO P 149 30 .511 14 .203 43 .000 1 .00 45 .21 C

ATOM 5019 O PRO P 149 31 .408 13 .396 43 .274 1 .00 45 .06 O

ATOM 5020 CB PRO P 149 31 .189 15 .018 40 .710 1 .00 45 .42 C

ATOM 5021 CG PRO P 149 32 .075 16 .118 40 .247 1 .00 45 .49 C

ATOM 5022 CD PRO P 149 32 .870 16 .532 41 .457 1 .00 45 .70 C

ATOM 5023 N ILE P 150 29 .262 14 .100 43 .454 1 .00 44 .95 N

ATOM 5024 CA ILE P 150 28 .828 13 .008 44 .326 1 .00 44 .69 C

ATOM 5025 C ILE P 150 27 .549 12 .337 43 .830 1 .00 45 .01 C

ATOM 5026 O ILE P 150 26 .573 13 .007 43 .469 1 .00 45 .20 O

ATOM 5027 CB ILE P 150 28 .653 13 .481 45 .789 1 .00 44 .51 C

ATOM 5028 CGl ILE P 150 30 .025 13 .585 46 .463 1 .00 44 .39 C

ATOM 5029 CG2 ILE P 150 27 .732 12 .529 46 .582 1 .00 43 .92 C

ATOM 5030 CDl ILE P 150 30 .100 14 .598 47 .584 1 .00 43 .64 C

ATOM 5031 N MET P 151 27 .574 11 .007 43 .802 1 .00 44 .92 N

ATOM 5032 CA MET P 151 26 .380 10 .220 43 .577 1 .00 45 .01 C

ATOM 5033 C MET P 151 26 .013 9 .571 44 .905 1 .00 44 .93 C

ATOM 5034 O MET P 151 26 .863 8 .951 45 .550 1 .00 45 .11 O

ATOM 5035 CB MET P 151 26 .656 9 .143 42 .535 1 .00 44 .89 C

ATOM 5036 CG MET P 151 25 .557 8 .979 41 .512 1 .00 45 .22 C

ATOM 5037 SD MET P 151 25 .414 7 .287 40 .917 1 .00 45 .76 S

ATOM 5038 CE MET P 151 23 .886 6 .787 41 .699 1 .00 46 .29 C

ATOM 5039 N LEU P 152 24 .766 9. .737 45 .333 1 .00 44 .82 N

ATOM 5040 CA LEU P 152 24 .289 9. .047 46 .530 1. .00 44 .86 C

ATOM 5041 C LEU P 152 23. .761 7. .663 46 .169 1. .00 45. .12 C

ATOM 5042 O LEU P 152 23. .054 7. .494 45 .164 1. .00 45. .45 O

ATOM 5043 CB LEU P 152 23. .225 9. 863 47. .273 1. .00 44. .66 C

ATOM 5044 CG LEU P 152 23. .714 10. 877 48. .314 1. 00 44. ,37 C

ATOM 5045 CDl LEU P 152 22. 569 11. 748 48. .790 1. 00 44. .19 C

ATOM 5046 CD2 LEU P 152 24. 388 10. 195 49. .502 1. 00 43. 84 C

ATOM 5047 N ILE P 153 24. 134 6. 667 46. .970 1. 00 44. 88 N

ATOM 5048 CA ILE P 153 23. 664 5. 301 46. 763 1. 00 44. 50 C

ATOM 5049 C ILE P 153 23. 306 4. 715 48. 118 1. 00 44. 57 C

ATOM 5050 O ILE P 153 24. 174 4. 516 48. 976 1. 00 44. 44 O

ATOM 5051 CB ILE P 153 24. 707 4. 402 46. 048 1. 00 44. 36 C

ATOM 5052 CGl ILE P 153 25. 207 5. 052 44. 754 1. 00 44. 21 C

ATOM 5053 CG2 ILE P 153 24. 102 3. 033 45. 760 1. 00 44. 49 C

ATOM 5054 CDl ILE P 153 26. 201 4. 216 43. 957 1. 00 44. 32 C

ATOM 5055 N GLY P 154 22. 020 4. 447 48. 308 00 44. 52 N

ATOM 5056 CA GLY P 154 21. 532 3. 992 49. 597 1. 00 44. 68 C

ATOM 5057 C GLY P 154 20. 872 2. 632 49. 562 1. 00 44. 72 C

ATOM 5058 O GLY P 154 20. 088 2. 338 48. 661 1. 00 44. 88 O

ATOM 5059 N HIS P 155 21. 188 1. 797 50. 548 1. 00 44. 58 N

ATOM 5060 CA HIS P 155 20. 523 0. 512 50. 674 1. 00 44. 52 C

ATOM 5061 C HIS P 155 19. 531 0. 578 51. 817 1. 00 44. 41 C

ATOM 5062 O HIS P 155 19. 843 1. 109 52. 876 1. 00 44. 32 O

ATOM 5063 CB HIS P 155 21. 520 -0. 630 50. 885 1. 00 44. 38 C

ATOM 5064 CG HIS P 155 20. 870 -1. 968 51. 072 1. 00 44. 27 C

ATOM 5065 NDl HIS P 155 20. 738 -2. 565 52. 307 1. 00 44. 77 N

ATOM 5066 CD2 HIS P 155 20. 302 -2. 816 50. 184 1. 00 44. 24 C

ATOM 5067 CEl HIS P 155 20. 127 -3. 729 52. 169 1. 00 44. 13 C

ATOM 5068 NE2 HIS P 155 19. 852 906 50. 891 1. 00 43. 73 N

-189- f/ 10691216 vl

ATOM 5069 N ALA P 156 18.336 0.036 51.578 1.00 44.32 N

ATOM 5070 CA ALA P 156 17 .272 -0 .035 52 .578 1.00 44 .11 C

ATOM 5071 C ALA P 156 17 .208 1 .241 53 .423 1.00 43 .98 C

ATOM 5072 O ALA P 156 16 .936 2 .312 52 .880 1.00 43 .91 O

ATOM 5073 CB ALA P 156 17 .424 ~ X .280 53 .436 1.00 44 .17 C

ATOM 5074 N MET P 157 17 .474 1 .138 54 .726 1.00 43 .67 N

ATOM 5075 CA MET P 157 17 .466 2 .308 55 .598 1.00 43 .34 C

ATOM 5076 C MET P 157 18 .290 3 .436 54 .992 1.00 43 .51 C

ATOM 5077 O MET P 157 17 .807 4 .559 54 .852 1.00 43 .57 O

ATOM 5078 CB MET P 157 18 .002 1 .963 56 .979 1.00 43 .38 C

ATOM 5079 CG MET P 157 18 .180 3 .174 57 .872 1.00 42 .99 C

ATOM 5080 SD MET P 157 19 .266 2 .854 59 .261 1.00 42 .76 S

ATOM 5081 CE MET P 157 20 .835 2 .533 58 .454 1.00 42 .18 C

ATOM 5082 N GLY P 158 19 .531 3 .119 54 .629 1.00 43 .60 N

ATOM 5083 CA GLY P 158 20 .415 4 .044 53 .923 1.00 43 .70 C

ATOM 5084 C GLY P 158 19 .861 4 .564 52 .610 1.00 43 .65 C

ATOM 5085 O GLY P 158 20 .292 5 .611 52 .128 1.00 43 .56 O

ATOM 5086 N GLY P 159 18 .917 3 .827 52 .027 1.00 43 .81 N

ATOM 5087 CA GLY P 159 18 .143 4 .314 50 .880 1.00 44 .21 C

ATOM 5088 C GLY P 159 17 .246 5 .503 51 .215 1.00 44 .36 C

ATOM 5089 O GLY P 159 17 .189 6 .483 50 .457 1.00 44 .38 O

ATOM 5090 N ALA P 160 16 .554 5 .417 52 .353 1.00 44 .24 N

ATOM 5091 CA ALA P 160 15 .672 6 .485 52 .820 1.00 44 .46 C

ATOM 5092 C ALA P 160 16 .454 7 .728 53 .252 1.00 44 .80 C

ATOM 5093 O ALA P 160 15 .995 8 .867 53 .083 1.00 44 .80 O

ATOM 5094 CB ALA P 160 14 .793 5 .986 53 .958 1.00 44 .20 C

ATOM 5095 N ILE P 161 17 .640 7 .496 53 .808 1.00 45 .01 N

ATOM 5096 CA ILE P 161 18 .481 8 .568 54 .319 1.00 44 .96 C

ATOM 5097 C ILE P 161 19 .092 9 .322 53 .148 1.00 44 .89 C

ATOM 5098 O ILE P 161 19 .099 10 .554 53 .136 1.00 44 .64 O

ATOM 5099 CB ILE P 161 19 .553 8 .017 55 .296 1.00 44 .93 C

ATOM 5100 CGl ILE P 161 18. .884 7 .319 56 .488 1.00 45 .09 C

ATOM 5101 CG2 ILE P 161 20, .475 9 .114 55. .795 1.00 45 .14 C

ATOM 5102 CDl ILE P 161 17. , 671 8. .052 57 , .076 1.00 44 .43 C

ATOM 5103 N ALA P 162 19. .568 8. .568 52. .157 1.00 45. .09 N

ATOM 5104 CA ALA P 162 20. .093 9. .125 50. ,908 1.00 45. .16 C

ATOM 5105 C ALA P 162 19. 104 10. .096 50. .298 1.00 45. .34 C

ATOM 5106 O ALA P 162 19. 486 11. .179 49. 864 1.00 45. ,51 O

ATOM 5107 CB ALA P 162 20. 411 8. 017 49. 925 1.00 44. 98 C

ATOM 5108 N VAL P 163 17. 832 9. 704 50. 282 1.00 45. 56 N

ATOM 5109 CA VAL P 163 16. 767 10. 543 49. 746 1.00 45. 73 C

ATOM 5110 C VAL P 163 16. 582 11. 797 50. 606 1.00 45. 83 C

ATOM 5111 O VAL P 163 16. 730 12. 905 50. 103 1.00 45. 92 O

ATOM 5112 CB VAL P 163 15. 449 9. 737 49. 538 1.00 45. 89 C

ATOM 5113 CGl VAL P 163 14. 245 10. 658 49. 376 1.00 45. 92 C

ATOM 5114 CG2 VAL P 163 15. 584 8. 817 48. 323 1.00 45. 38 C

ATOM 5115 N HIS P 164 16. 310 11. 622 51. 898 1.00 46. 12 N

ATOM 5116 CA HIS P 164 16. 195 12. 752 52. 832 1.00 46. 30 C

ATOM 5117 C HIS P 164 17. 375 13. 726 52. 776 1.00 46. 84 C

ATOM 5118 O HIS P 164 17. 207 14. 921 53. 016 1.00 46. 88 O

ATOM 5119 CB HIS P 164 15. 997 12. 248 54. 258 1.00 46. 04 C

ATOM 5120 CG HIS P 164 14. 602 11. 788 54. 540 1.00 45. 60 C

ATOM 5121 NDl HIS P 164 13. 719 12. 518 55. 305 1.00 44. 64 N

ATOM 5122 CD2 HIS P 164 13. 934 10. 676 54. 151 1.00 45. 29 C

ATOM 5123 CEl HIS P 164 12. 568 11. 874 55. 379 1.00 44. 79 C

ATOM 5124 NE2 HIS P 164 12. 672 10. 753 54. 687 1.00 45. 34 N

ATOM 5125 N THR P 165 18. 560 13. 209 52. 457 1.00 47. 56 N

-190-

« 106912 16 v l

ATOM 5126 CA THR P 165 19.757 14.028 52.274 1.00 48.17 C

ATOM 5127 C THR P 165 19 .699 14 .788 50 .945 1 .00 48 .72 C

ATOM 5128 O THR P 165 19 .992 15 .990 50 .892 1 .00 48 .91 O

ATOM 5129 CB THR P 165 21 .042 13 .167 52 .318 1 .00 48 .24 C

ATOM 5130 OGl THR P 165 21 .054 12 .368 53 .509 1 .00 48 .27 O

ATOM 5131 CG2 THR P 165 22 .297 14 .048 52 .283 1 .00 48 .41 C

ATOM 5132 N ALA P 166 19 .330 14 .080 49 .878 1 .00 49 .07 N

ATOM 5133 CA ALA P 166 19 .222 14 .672 48 .551 1 .00 49 .39 C

ATOM 5134 C ALA P 166 18 .143 15 .743 48 .537 1 .00 49 .80 C

ATOM 5135 O ALA P 166 18 .382 16 .867 48 .090 1 .00 49 .93 O

ATOM 5136 CB ALA P 166 18 .915 13 .601 47 .519 1 .00 49 .37 C

ATOM 5137 N SER P 167 16 .964 15 .387 49 .045 1 .00 50 .13 N

ATOM 5138 CA SER P 167 15 .807 16 .279 49 .087 1 .00 50 .57 C

ATOM 5139 C SER P 167 16 .088 17 .615 49 .783 1 .00 50 .86 C

ATOM 5140 O SER P 167 15 .719 18 .670 49 .267 1 .00 50 .63 O

ATOM 5141 CB SER P 167 14 .624 15 .575 49 .751 1 .00 50 .51 C

ATOM 5142 OG SER P 167 13 .543 16 .471 49 .946 1 .00 51 .03 O

ATOM 5143 N SER P 168 16 .740 17 .557 50 .946 1 .00 51 .45 N

ATOM 5144 CA SER P 168 17 .110 18 .757 51 .712 1 .00 52 .01 C

ATOM 5145 C SER P 168 18 .295 19 .498 51 .094 1 .00 52 .41 C

ATOM 5146 O SER P 168 18 .758 20 .510 51 .629 1 .00 52 .36 O

ATOM 5147 CB SER P 168 17 .433 18 .387 53 .160 1 .00 51 .90 C

ATOM 5148 OG SER P 168 16 .252 18 .080 53 .874 1 .00 52 .11 O

ATOM 5149 N ASN P 169 18 .767 18 .980 49 .961 1 .00 52 .94 N

ATOM 5150 CA ASN P 169 19 .952 19 .476 49 .260 1 .00 53 .34 C

ATOM 5151 C ASN P 169 21 .141 19 .724 50 .182 1 .00 53 .39 C

ATOM 5152 O ASN P 169 21 .739 20 .802 50 .180 1 .00 53 .38 O

ATOM 5153 CB ASN P 169 19 .631 20 .703 48 .406 1 .00 53 .45 C

ATOM 5154 CG ASN P 169 20. .275 20 .627 47 .035 1 .00 54 , .15 C

ATOM 5155 ODl ASN P 169 19, .729 20 .017 46 .107 1, .00 53 , .50 O

ATOM 5156 ND2 ASN P 169 21. .453 21. .238 46 .902 1, .00 55. .20 N

ATOM 5157 N LEU P 170 21. .469 18. .704 50 .967 1. .00 53. .57 N

ATOM 5158 CA LEU P 170 22. .568 18. .780 51. .911 1. .00 53. .86 C

ATOM 5159 C LEU P 170 23. .909 18. .518 51. .232 1. .00 54. .11 C

ATOM 5160 O LEU P 170 24. 955 18. .927 51. .740 1. , 00 54. 27 O

ATOM 5161 CB LEU P 170 22. 336 17. .822 53. ,083 1. 00 53. 78 C

ATOM 5162 CG LEU P 170 21. 186 18. 193 54. .029 1. 00 53. 67 C

ATOM 5163 CDl LEU P 170 20. 949 17. 095 55. 043 1. 00 53. 45 C

ATOM 5164 CD2 LEU P 170 21. 444 19. 522 54. 739 1. 00 53. 79 C

ATOM 5165 N VAL P 171 23. 874 17. 844 50. 086 1. 00 54. 34 N

ATOM 5166 CA VAL P 171 25. 071 17. 643 49. 275 1. 00 54. 58 C

ATOM 5167 C VAL P 171 25. 039 18. 631 48. 108 1. 00 54. 62 C

ATOM 5168 O VAL P 171 24. 229 18. 479 47. 187 1. 00 54. 75 O

ATOM 5169 CB VAL P 171 25. 191 16. 193 48. 746 1. 00 54. 73 C

ATOM 5170 CGl VAL P 171 26. 542 15. 988 48. 058 1. 00 55. 13 C

ATOM 5171 CG2 VAL P 171 25. 013 15. 181 49. 874 1. 00 54. 84 C

ATOM 5172 N PRO P 172 25. 923 19. 647 48. 141 1. 00 54. 57 N

ATOM 5173 CA PRO P 172 25. 872 20. 734 47. 160 1. 00 54. 58 C

ATOM 5174 C PRO P 172 26. 498 20. 390 45. 797 1. 00 54. 49 C

ATOM 5175 O PRO P 172 26. 543 21. 245 44. 907 1. 00 54. 56 O

ATOM 5176 CB PRO P 172 26. 656 21. 857 47. 849 1. 00 54. 55 C

ATOM 5177 CG PRO P 172 27. 643 21. 145 48. 717 1. 00 54. 61 C

ATOM 5178 CD PRO P 172 27. 027 19. 823 49. 104 1. 00 54. 64 C

ATOM 5179 N SER P 173 26. 977 19. 158 45. 639 1. 00 54. 19 N

ATOM 5180 CA SER P 173 27. 550 18. 717 44. 370 1. 00 53. 82 C

ATOM 5181 C SER P 173 26. 857 17. 458 43. 854 1. 00 53. 56 C

ATOM 5182 O SER P 173 27. 193 16. 957 42. 778 1. 00 53. 71 O

-191-

» 10691216 vl

ATOM 5183 CB SER P 173 29.056 18.487 44.507 1.00 53.73 C

ATOM 5184 OG SER P 173 29 .327 17 .530 45 .512 1 .00 53 .95 O

ATOM 5185 N LEU P 174 25 .885 16 .962 44 .620 1 .00 53 .08 N

ATOM 5186 CA LEU P 174 25 .137 15 .750 44 .272 1 .00 52 .57 C

ATOM 5187 C LEU P 174 24 .594 15 .789 42 .847 1 .00 52 .17 C

ATOM 5188 O LEU P 174 23 .822 16 .682 42 .502 1 .00 52 .29 O

ATOM 5189 CB LEU P 174 23 .979 15 .540 45 .247 1 .00 52 .59 C

ATOM 5190 CG LEU P 174 23 .152 14 .280 44 .999 1 .00 52 .50 C

ATOM 5191 CDl LEU P 174 23 .888 13 .075 45 .552 1 .00 52 .23 C

ATOM 5192 CD2 LEU P 174 21 .778 14 .410 45 .621 1 .00 51 .85 C

ATOM 5193 N LEU P 175 24 .994 14 .818 42 .031 1 .00 51 .55 N

ATOM 5194 CA LEU P 175 24 .544 14 .766 40 .639 1 .00 50 .92 C

ATOM 5195 C LEU P 175 23 .653 13 .576 40 .281 1 .00 50 .69 C

ATOM 5196 O LEU P 175 23 .056 13 .548 39 .205 1 .00 50 .92 O

ATOM 5197 CB LEU P 175 25 .715 14 .906 39 .652 1 .00 50 .92 C

ATOM 5198 CG LEU P 175 27 .168 14 .502 39 .921 1 .00 50 .63 C

ATOM 5199 CDl LEU P 175 27 .371 12 .999 39 .964 1 .00 49 .97 C

ATOM 5200 CD2 LEU P 175 28 .024 15 .109 38 .830 1 .00 50 .73 C

ATOM 5201 N GLY P 176 23 .550 12 .608 41 .185 1 .00 50 .34 N

ATOM 5202 CA GLY P 176 22 .704 11 .434 40 .967 1 .00 49 .87 C

ATOM 5203 C GLY P 176 22 .269 10 .776 42 .263 1 .00 49 .52 C

ATOM 5204 O GLY P 176 22 .827 11 .055 43 .324 1 .00 49 .65 O

ATOM 5205 N LEU P 177 21 .268 9 .904 42 .181 1 .00 49 .08 N

ATOM 5206 CA LEU P 177 20 .740 9 .224 43 .361 1 .00 48 .52 C

ATOM 5207 C LEU P 177 20 .270 7 .815 43 .038 1 .00 48 .38 C

ATOM 5208 O LEU P 177 19 .512 7 .601 42 .091 1 .00 48 .16 O

ATOM 5209 CB LEU P 177 19 .599 10 .032 43 .987 1 .00 48 .36 C

ATOM 5210 CG LEU P 177 18 .821 9 .418 45 .154 1 .00 48 .02 C

ATOM 5211 CDl LEU P 177 19 .589 9 .525 46 .454 1 .00 47 .41 C

ATOM 5212 CD2 LEU P 177 17 .472 10. .100 45 .271 1 .00 48 .03 C

ATOM 5213 N CYS P 178 20 .721 6. .863 43. .852 1. .00 48 .27 N

ATOM 5214 CA CYS P 178 20 .366 5. .456 43. .703 1. .00 47 , .99 C

ATOM 5215 C CYS P 178 19. .789 4. .882 44. .998 1. .00 47 , .85 C

ATOM 5216 O CYS P 178 20. .382 4. .986 46. .069 1. .00 47. .82 O

ATOM 5217 CB CYS P 178 21. .584 4. .653 43. .266 1. ,00 47. .90 C

ATOM 5218 SG CYS P 178 21. .236 2. .959 42. 844 1. ,00 48. ,09 S

ATOM 5219 N MET P 179 18. .618 4. 281 44. 881 1. 00 47. ,81 N

ATOM 5220 CA MET P 179 17. 951 3. 663 46. 006 1. 00 47. 71 C

ATOM 5221 C MET P 179 17. 918 2. 160 45. 752 1. 00 47. 28 C

ATOM 5222 O MET P 179 17. 431 1. 716 44. 712 1. 00 46. 96 O

ATOM 5223 CB MET P 179 16. 539 4. 235 46. 143 1. 00 47. 79 C

ATOM 5224 CG MET P 179 15. 938 4. 113 47. 529 1. 00 48. 16 C

ATOM 5225 SD MET P 179 14. 709 5. 394 47. 847 1. 00 48. 35 S

ATOM 5226 CE MET P 179 13. 266 4. 758 46. 998 1. 00 48. 62 C

ATOM 5227 N ILE P 180 18. 463 1. 384 46. 685 1. 00 46. 98 N

ATOM 5228 CA ILE P 180 18. 533 -0. 060 46. 511 1. 00 46. 73 C

ATOM 5229 C ILE P 180 17. 538 -0. 771 47. 412 1. 00 46. 58 C

ATOM 5230 O ILE P 180 17. 625 -0. 686 48. 642 1. 00 46. 48 O

ATOM 5231 CB ILE P 180 19. 955 -0. 631 46. 722 1. 00 46. 67 C

ATOM 5232 CGl ILE P 180 20. 911 -0. 099 45. 659 1. 00 46. 49 C

ATOM 5233 CG2 ILE P 180 19. 928 -2. 154 46. 650 1. 00 46. 79 C

ATOM 5234 CDl ILE P 180 22. 308 -0. 701 45. 732 1. 00 46. 78 C

ATOM 5235 N ASP P 181 16. 591 -1. 447 46. 761 1. 00 46. 32 N

ATOM 5236 CA ASP P 181 15. 623 -2. 351 47. 389 1. 00 46. 18 C

ATOM 5237 C ASP P 181 14. 774 -1. 749 48. 533 1. 00 45. 93 C

ATOM 5238 O ASP P 181 14. 446 -2. 436 49. 509 1. 00 46. 12 O

ATOM 5239 CB ASP P 181 16. 325 -3. 648 47. 822 1. 00 46. 19 C

-192-

#10691216 v l

ATOM 5240 CG ASP P 181 15.398 -4.851 47.815 1.00 46.73 C

ATOM 5241 ODl . ASP P 181 14.676 -5 .070 46 .811 1.00 47 .31 O

ATOM 5242 OD2 : ASP P 181 15.410 -5 .593 48 .818 1.00 46 .89 O

ATOM 5243 N VAL P 182 14.423 -0 .468 48 .408 1.00 45 .56 N

ATOM 5244 CA VAL P 182 13.448 0 .156 49 .311 1.00 45 .19 C

ATOM 5245 C VAL P 182 12.373 0 .871 48 .533 1.00 44 .80 C

ATOM 5246 O VAL P 182 12.661 1 .725 47 .695 1.00 44 .86 O

ATOM 5247 CB VAL P 182 14.029 1 .239 50 .239 1.00 45 .17 C

ATOM 5248 CGl VAL P 182 13.508 1 .034 51 .656 1.00 45 .25 C

ATOM 5249 CG2 VAL P 182 15.540 1 .279 50 .191 1.00 45 .59 C

ATOM 5250 N VAL P 183 11.128 0 .531 48 .831 1.00 44 .37 N

ATOM 5251 CA VAL P 183 9.987 1 .268 48 .311 1.00 43 .69 C

ATOM 5252 C VAL P 183 9.000 1 .466 49 .460 1.00 43 .20 C

ATOM 5253 O VAL P 183 8.763 0 .552 50 .241 1.00 43 .14 O

ATOM 5254 CB VAL P 183 9.354 0 .558 47 .090 1.00 43 .60 C

ATOM 5255 CGl VAL P 183 8.100 1 .281 46 .622 1.00 43 .61 C

ATOM 5256 CG2 VAL P 183 10.355 0 .475 45 .950 1.00 43 .13 C

ATOM 5257 N GLU P 184 8.454 2 .674 49 .555 1.00 42 .80 N

ATOM 5258 CA GLU P 184 7.600 3 .090 50 .664 1.00 42 .54 C

ATOM 5259 C GLU P 184 6.455 2 .150 50 .995 1.00 42 .37 C

ATOM 5260 O GLU P 184 6.404 1 .595 52 .093 1.00 42 .17 O

ATOM 5261 CB GLU P 184 7.032 4 .483 50 .400 1.00 42 .53 C

ATOM 5262 CG GLU P 184 5.954 4 .883 51 .386 1.00 42 .19 C

ATOM 5263 CD GLU P 184 5.433 6 .269 51 .151 1.00 42 .31 C

ATOM 5264 OEl GLU P 184 5.809 6 .893 50 .136 1.00 41 .46 O

ATOM 5265 OE2 GLU P 184 4.640 6 .738 51 .997 1.00 43 .49 O

ATOM 5266 N GLY P 185 5.540 1 .993 50 .041 1.00 42 .34 N

ATOM 5267 CA GLY P 185 4.320 1 .220 50 .238 1.00 42 .40 C

ATOM 5268 C GLY P 185 4.556 -0 .178 50 .762 1.00 42 .45 C

ATOM 5269 O GLY P 185 3.846 -0 .640 51 .655 1.00 42 .38 O

ATOM 5270 N THR P 186 5.562 -0 .850 50 .214 1.00 42 .55 N

ATOM 5271 CA THR P 186 5.871 -2 .209 50 .633 1.00 42. .88 C

ATOM 5272 C THR P 186 6.632 -2 .259 51. .963 1.00 43. .08 C

ATOM 5273 O THR P 186 6.387 -3. .145 52. .782 1.00 43. .17 O

ATOM 5274 CB THR P 186 6.607 -2 , .997 49. .537 1.00 42. .69 C

ATOM 5275 OGl THR P 186 7.785 -2. .288 49. .143 1.00 43. .29 O

ATOM 5276 CG2 THR P 186 5.697 -3. .182 48. .332 1.00 42. 47 C

ATOM 5277 N ALA P 187 7.525 -1. 296 52. 181 1.00 43. 36 N

ATOM 5278 CA ALA P 187 8.257 -1. 188 53. 440 1.00 43. 91 C

ATOM 5279 C ALA P 187 7.316 -0. 915 54. 614 1.00 44. 40 C

ATOM 5280 O ALA P 187 7.474 -1. 481 55. 697 1.00 44. 40 O

ATOM 5281 CB ALA P 187 9.326 -0. 105 53. 345 1.00 43. 84 C

ATOM 5282 N MET P 188 6.337 -0. 043 54. 384 1.00 45. 13 N

ATOM 5283 CA MET P 188 5.322 0. 281 55. 377 1.00 45. 63 C

ATOM 5284 C MET P 188 4.475 -0. 964 55. 673 1.00 45. 94 C

ATOM 5285 O MET P 188 4.130 -1. 237 56. 826 1.00 45. 88 O

ATOM 5286 CB MET P 188 4.456 1. 435 54. 873 1.00 45. 60 C

ATOM 5287 CG MET P 188 4.121 2. 493 55. 925 1.00 46. 77 C

ATOM 5288 SD MET P 188 5.436 3. 712 56. 204 1.00 48. 69 S

ATOM 5289 CE MET P 188 6.153 3. 119 57. 724 1.00 48. 22 C

ATOM 5290 N ASP P 189 4.173 -1. 727 54. 622 1.00 46. 36 N

ATOM 5291 CA ASP P 189 3.441 -2. 990 54. 736 1.00 46. 76 C

ATOM 5292 C ASP P 189 4.231 -4. 085 55. 467 1.00 46. 71 C

ATOM 5293 O ASP P 189 3.648 -5. 077 55. 914 1.00 46. 68 O

ATOM 5294 CB ASP P 189 3.026 -3. 496 53. 343 1.00 47. 03 C

ATOM 5295 CG ASP P 189 1.620 -3. 046 52. 935 1.00 47. 71 C

ATOM 5296 ODl ASP P 189 0.757 -2. 870 53. 823 1.00 48. 39 O

-193-

# 10691216 vl

ATOM 5297 OD2 ASP P 189 1.376 -2.885 51.716 1.00 48.28 O

ATOM 5298 N ALA P 190 5 .545 -3 .903 55 .581 1 .00 46 .54 N

ATOM 5299 CA ALA P 190 6 .424 -4 .931 56 .123 1 .00 46 .59 C

ATOM 5300 C ALA P 190 6 .807 -4 .701 57 .581 1 .00 46 .83 C

ATOM 5301 O ALA P 190 7 .360 -5 .590 58 .228 1 .00 46 .69 O

ATOM 5302 CB ALA P 190 7 .665 -5 .049 55 .271 1 .00 46 .54 C

ATOM 5303 N LEU P 191 6 .500 _ 2 .512 58 .094 1 .00 47 .21 N

ATOM 5304 CA LEU P 191 6 .937 .096 59 .428 1 .00 47 .58 C

ATOM 5305 C LEU P 191 6 .865 -4 .187 60 .503 1 .00 47 .83 C

ATOM 5306 O LEU P 191 7 .873 -4 .498 61 .140 1 .00 48 .03 O

ATOM 5307 CB LEU P 191 6 .168 -1 .849 59 .890 1 .00 47 .62 C

ATOM 5308 CG LEU P 191 6 .395 -0 .482 59 .232 1 .00 47 .40 C

ATOM 5309 CDl LEU P 191 5 .665 0 .579 60 .047 1 .00 46 .68 C

ATOM 5310 CD2 LEU P 191 7 .882 -0 .126 59 .079 1 .00 47 .10 C

ATOM 5311 N ASN P 192 5 .680 -4 .767 60 .688 1 .00 47 .94 N

ATOM 5312 CA ASN P 192 5 .458 -5 .799 61 .703 1 .00 48 .11 C

ATOM 5313 C ASN P 192 6 .279 -7 .059 61 .476 1 .00 48 .23 C

ATOM 5314 O ASN P 192 6 .787 -7 .653 62 .426 1 .00 48 .36 O

ATOM 5315 CB ASN P 192 3 .981 -6 .174 61 .777 1 .00 48 .10 C

ATOM 5316 CG ASN P 192 3 .112 -5 .030 62 .249 1 .00 48 .77 C

ATOM 5317 ODl ASN P 192 2 .608 -5 .050 63 .368 1 .00 49 .62 O

ATOM 5318 ND2 ASN P 192 2 .933 -4 .021 61 .399 1 .00 49 .65 N

ATOM 5319 N SER P 193 6 .407 _ ₇ .460 60 .215 1 .00 48 .38 N

ATOM 5320 CA SER P 193 7 .108 -8 .693 59 .868 1 .00 48 .43 C

ATOM 5321 C SER P 193 8 .620 -8 .584 60 .073 1 .00 48 .26 C

ATOM 5322 O SER P 193 9 .262 -9 .570 60 .432 1 .00 48 .50 O

ATOM 5323 CB SER P 193 6 .780 -9 .134 58 .435 1 .00 48 .48 C

ATOM 5324 OG SER P 193 7 .715 -8 .609 57 .506 1 .00 49 .35 O

ATOM 5325 N MET P 194 9 .192 -7 .401 59 .842 1 .00 48 .04 N

ATOM 5326 CA MET P 194 10. .623 -7. .203 60. .128 1 .00 47 .75 C

ATOM 5327 C MET P 194 10. .896 -6, .939 61. .602 1 .00 47 .26 C

ATOM 5328 O MET P 194 12. .021 -7. .112 62 , .070 1, .00 47. .11 O

ATOM 5329 CB MET P 194 11. ,277 -6. .144 59. .235 1. .00 47, .84 C

ATOM 5330 CG MET P 194 10. .431 -4. .968 58. .820 1. .00 48. .00 C

ATOM 5331 SD MET P 194 11. 167 -4. 284 57. .316 1. .00 48. .07 S

ATOM 5332 CE MET P 194 10. 008 -2. 984 56. 911 1. .00 48. .03 C

ATOM 5333 N GLN P 195 9. 850 -6. 532 62. 317 1. 00 46. 81 N

ATOM 5334 CA GLN P 195 9. 843 -6. 507 63. 773 1. 00 46. 26 C

ATOM 5335 C GLN P 195 9. 991 -7. 951 64. 265 1. 00 45. 76 C

ATOM 5336 O GLN P 195 10. 780 -8. 220 65. 168 1. 00 45. 45 O

ATOM 5337 CB GLN P 195 8. 528 -5. 904 64. 271 1. 00 46. 39 C

ATOM 5338 CG GLN P 195 8. 671 -4. 706 65. 189 1. 00 47. 05 C

ATOM 5339 CD GLN P 195 8. 698 072 66. 663 1. 00 48. 43 C

ATOM 5340 OEl GLN P 195 7. 720 -4. 855 67. 385 1. 00 48. 87 O

ATOM 5341 NE2 GLN P 195 9. 819 -5. 623 67. 120 1. 00 49. 13 N

ATOM 5342 N ASN P 196 9. 246 -8. 869 63. 641 1. 00 45. 31 N

ATOM 5343 CA ASN P 196 9. 317 -10. 305 63. 940 1. 00 45. 03 C

ATOM 5344 C ASN P 196 10. 676 -10. 942 63. 642 1. 00 44. 93 C

ATOM 5345 O ASN P 196 11. 188 -11. 728 64. 442 1. 00 44. 72 O

ATOM 5346 CB ASN P 196 8. 227 -11. 074 63. 186 1. 00 44. 93 C

ATOM 5347 CG ASN P 196 6. 841 -10. 832 63. 739 1. 00 45. 06 C

ATOM 5348 ODl ASN P 196 6. 656 -10. 105 64. 712 1. 00 45. 24 O

ATOM 5349 ND2 ASN P 196 5. 850 -11. 443 63. 109 1. 00 45. 47 N

ATOM 5350 N PHE P 197 11. 250 -10. 619 62. 485 1. 00 44. 95 N

ATOM 5351 CA PHE P 197 12. 550 -11. 163 62. 122 1. 00 45. 13 C

ATOM 5352 C PHE P 197 13. 594 -10. 852 63. 187 1. 00 44. 99 C

ATOM 5353 O PHE P 197 14. 301 -11. 746 63. 654 1. 00 45. 02 O

-194-

« 10691216 \ I

ATOM 5354 CB PHE P 197 13.039 -10.636 60.766 1.00' 45.40 C

ATOM 5355 CG PHE P 197 14 .514 -10.869 60 .535 1.00 45 .57 C

ATOM 5356 CDl . PHE P 197 14 .988 -12.134 60 .186 1.00 46 .09 C

ATOM 5357 CD2 PHE P 197 15 .430 -9.836 60 .707 1.00 45 .75 C

ATOM 5358 CEl PHE P 197 16 .352 -12.360 59 .997 1.00 46 .27 C

ATOM 5359 CE2 PHE P 197 16 .794 -10.049 60 .517 1.00 46 .07 C

ATOM 5360 CZ PHE P 197 17 .257 -11.312 60 .163 1.00 46 .06 C

ATOM 5361 N LEU P 198 13 .682 -9.574 63 .550 1.00 44 .80 N

ATOM 5362 CA LEU P 198 14 .699 -9.092 64 .473 1.00 44 .47 C

ATOM 5363 C LEU P 198 14 .649 -9.802 65 .811 1.00 44 .09 C

ATOM 5364 O LEU P 198 15 .654 -10.350 66 .248 1.00 44 .14 O

ATOM 5365 CB LEU P 198 14 .591 -7.577 64 .671 1.00 44 .50 C

ATOM 5366 CG LEU P 198 15 .061 -6.665 63 .537 1.00 44 .85 C

ATOM 5367 CDl LEU P 198 15 .072 -5.226 64 .037 1.00 45 .36 C

ATOM 5368 CD2 LEU P 198 16 .439 -7.061 62 .982 1.00 44 .90 C

ATOM 5369 N ARG P 199 13 .487 -9.813 66 .457 1.00 43 .77 N

ATOM 5370 CA ARG P 199 13 .374 -10.521 67 .731 1.00 43 .51 C

ATOM 5371 C ARG P 199 13 .227 -12.029 67 .561 1.00 43 .18 C

ATOM 5372 O ARG P 199 12 .810 -12.728 68 .478 1.00 43 .46 O

ATOM 5373 CB ARG P 199 12 .315 -9.910 68 .664 1.00 43 .51 C

ATOM 5374 CG ARG P 199 10 .918 -9.713 68 .107 1.00 43 .64 C

ATOM 5375 CD ARG P 199 10 .098 -8.877 69 .089 1.00 43 .74 C

ATOM 5376 NE ARG P 199 8 .660 -8.955 68 .843 1.00 45 .33 N

ATOM 5377 CZ ARG P 199 7 .722 -8.815 69 .782 1.00 46 .05 C

ATOM 5378 NHl ARG P 199 8 .059 -8.601 71 .052 1.00 46 .22 N

ATOM 5379 NH2 ARG P 199 6 .437 -8.901 69 .455 1.00 45 .82 N

ATOM 5380 N GLY P 200 13 .600 -12.519 66 .381 1.00 42 .76 N

ATOM 5381 CA GLY P 200 13 .756 -13.946 66 .123 1.00 42 .07 C

ATOM 5382 C GLY P 200 15 .220 -14.309 65, .949 1.00 41 .71 C

ATOM 5383 O GLY P 200 15 .616 -15.437 66 .239 1.00 41 .71 O

ATOM 5384 N ARG P 201 16 .020 -13.346 65. .486 1.00 41 .40 N

ATOM 5385 CA ARG P 201 17. .463 -13.516 65. .279 1.00 41. .31 C

ATOM 5386 C ARG P 201 18. .138 -14.134 66. .485 1.00 40. .88 C

ATOM 5387 O ARG P 201 17. .673 -13.950 67. .604 1.00 41. .01 O

ATOM 5388 CB ARG P 201 18. .148 -12.168 65. 048 1.00 41. .49 C

ATOM 5389 CG ARG P 201 17. 718 -11.400 63. 828 1.00 42. 75 C

ATOM 5390 CD ARG P 201 18. 750 -10.330 63. 483 1.00 44. 99 C

ATOM 5391 NE ARG P 201 19. 110 -9.468 64. 617 1.00 45. 69 N

ATOM 5392 CZ ARG P 201 19. 741 -8.300 64. 492 1.00 46. 09 C

ATOM 5393 NHl ARG P 201 20. 081 -7.850 63. 286 1.00 46. 63 N

ATOM 5394 NH2 ARG P 201 20. 034 -7.578 65. 565 1.00 45. 06 N

ATOM 5395 N PRO P 202 19. 251 -14.859 66. 269 1.00 40. 57 N

ATOM 5396 CA PRO P 202 20. 062 -15.267 67. 413 1.00 40. 42 C

ATOM 5397 C PRO P 202 20. 540 -14.040 68. 196 1.00 40. 45 C

ATOM 5398 O PRO P 202 20. 791 -12.988 67. 600 1.00 40. 18 O

ATOM 5399 CB PRO P 202 21. 244 -15.984 66. 761 1.00 40. 41 C

ATOM 5400 CG PRO P 202 20. 723 -16.437 65. 436 1.00 40. 09 C

ATOM 5401 CD PRO P 202 19. 799 -15.359 64. 996 1.00 40. 25 C

ATOM 5402 N LYS P 203 20. 636 -14.171 69. 518 1.00 40. 56 N

ATOM 5403 CA LYS P 203 21. 057 -13.060 70. 374 1.00 40. 74 C

ATOM 5404 C LYS P 203 22. 572 -12.850 70. 372 1.00 40. 71 C

ATOM 5405 O LYS P 203 23. 040 -11.711 70. 385 1.00 40. 90 O

ATOM 5406 CB LYS P 203 20. 567 -13.255 71. 808 1.00 40. 74 C

ATOM 5407 CG LYS P 203 19. 078 -13.050 72. 012 1.00 40. 92 C

ATOM 5408 CD LYS P 203 18. 713 -13.195 73 . ^■ 493 1.00 41. 30 C

ATOM 5409 CE LYS P 203 17. 212 -13.412 73. 700 1.00 42. 86 C

ATOM 5410 NZ LYS P 203 16. 368 -12.435 72. 926 1.00 43.. 26 N

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#10691216 vl

ATOM 5411 N THR P 204 23.330 -13.945 70.376 1.00 40.73 N

ATOM 5412 CA THR P 204 24 .798 -13 .894 70 .398 1.00 40 .58 C

ATOM 5413 C THR P 204 25 .396 -14 .882 69 .400 1.00 40 .72 C

ATOM 5414 O THR P 204 24 .681 -15 .726 68 .859 1.00 40 .96 O

ATOM 5415 CB THR P 204 25 .370 -14 .189 71 .810 1.00 40 .36 C

ATOM 5416 OGl THR P 204 24 .916 -15 .469 72 .261 1.00 39 .92 O

ATOM 5417 CG2 THR P 204 24 .940 -13 .128 72 .807 1.00 40 .24 C

ATOM 5418 N PHE P 205 26 .700 -14 .769 69 .153 1.00 40 .77 N

ATOM 5419 CA PHE P 205 27 .421 -15 .727 68 .310 1.00 40 .81 C

ATOM 5420 C PHE P 205 28 .672 -16 .236 69 .001 1.00 40 .85 C

ATOM 5421 O PHE P 205 29 .437 -15 .444 69 .563 1.00 40 .71 O

ATOM 5422 CB PHE P 205 27 .802 -15 .111 66 .960 1.00 40 .86 C

ATOM 5423 CG PHE P 205 26 .634 -14 .835 66 .076 1.00 40 .74 C

ATOM 5424 CDl PHE P 205 25 .956 -15 .879 65 .453 1.00 41 .15 C

ATOM 5425 CD2 PHE P 205 26 .206 -13 .532 65 .866 1.00 40 .90 C

ATOM 5426 CEl PHE P 205 24 .858 -15 .629 64 .632 1.00 41 .89 C

ATOM 5427 CE2 PHE P 205 25 . Ill -13 .264 65 .043 1.00 41 .69 C

ATOM 5428 CZ PHE P 205 24 .434 -14 .313 64 .423 1.00 41 .77 C

ATOM 5429 N LYS P 206 28 .875 -17 .554 68 .946 1.00 40 .94 N

ATOM 5430 CA LYS P 206 30 .054 -18 .196 69 .542 1.00 41 .16 C

ATOM 5431 C LYS P 206 31 .350 -17 .590 68 .996 1.00 41 .08 C

ATOM 5432 O LYS P 206 32 .287 -17 .333 69 .748 1.00 41 .05 O

ATOM 5433 CB LYS P 206 30 .033 -19 .714 69 .314 1.00 41 .15 C

ATOM 5434 CG LYS P 206 28 .975 -20 .486 70 .109 1.00 41 .44 C

ATOM 5435 CD LYS P 206 28 .850 -21 .921 69 .594 1.00 41 .54 C

ATOM 5436 CE LYS P 206 28 .418 -22 .901 70 .688 1.00 42 .32 C

ATOM 5437 NZ LYS P 206 26 .944 -22 .907 70 .907 1.00 42 .69 N

ATOM 5438 N SER P 207 31 .382 -17 .353 67 .686 1.00 41 .12 N

ATOM 5439 CA SER P 207 32 .526 -16 .736 67 .027 1.00 41 .12 C

ATOM 5440 C SER P 207 32 .101 -16 .006 65 .758 1.00 41. .19 C

ATOM 5441 O SER P 207 31 .037 -16 .271 65 .198 1.00 41. .17 O

ATOM 5442 CB SER P 207 33 .574 -17 .788 66. .675 1.00 41. .11 C

ATOM 5443 OG SER P 207 33. .123 -18 .601 65. .608 1.00 41. .28 O

ATOM 5444 N LEU P 208 32. .959 -15 .092 65. .317 1.00 41. 29 N

ATOM 5445 CA LEU P 208 32. .795 -14. .344 64. .076 1.00 41. 32 C

ATOM 5446 C LEU P 208 32. .558 -15. .266 62. 877 1.00 41. 43 C

ATOM 5447 O LEU P 208 31. 806 -14. ,926 61. 959 1.00 41. 40 O

ATOM 5448 CB LEU P 208 34. 043 -13. .492 63. 857 1.00 41. 21 C

ATOM 5449 CG LEU P 208 34. 057 -12. 250 62. 973 1.00 41. 48 C

ATOM 5450 CDl LEU P 208 32. 803 -11. 394 63. 126 1.00 41. 37 C

ATOM 5451 CD2 LEU P 208 35. 308 -11. 448 63. 312 1.00 41. 46 C

ATOM 5452 N GLU P 209 33. 199 -16. 435 62. 897 1.00 41. 58 N

ATOM 5453 CA GLU P 209 32. 968 -17. 476 61. 894 1.00 41. 71 C

ATOM 5454 C GLU P 209 31. 503 -17. 930 61. 858 1.00 41. 68 C

ATOM 5455 O GLU P 209 30. 907 -18. 023 60. 784 1.00 41. 68 O

ATOM 5456 CB GLU P 209 33. 879 -18. 676 62. 146 1.00 41. 75 C

ATOM 5457 CG GLU P 209 35. 294 -18. 516 61. 612 1.00 42. 17 C

ATOM 5458 CD GLU P 209 36. 183 -17. 624 62. 475 1.00 42. 64 C

ATOM 5459 OEl GLU P 209 35. 856 -17. 381 63. 664 1.00 42. 30 O

ATOM 5460 OE2 GLU P 209 37. 226 -17. 175 61. 951 1.00 42. 51 O

ATOM 5461 N ASN P 210 30. 934 -18. 200 63. 032 1.00 41. 59 N

ATOM 5462 CA ASN P 210 29. 530 -18. 602 63. 144 1.00 41. 40 C

ATOM 5463 C ASN P 210 28. 575 -17. 516 62. 682 1.00 41. 08 C

ATOM 5464 O ASN P 210 27. 525 -17. 820 62. 117 1.00 41. 35 O

ATOM 5465 CB ASN P 210 29. 179 -19. 018 64. 575 1.00 41. 54 C

ATOM 5466 CG ASN P 210 29. 931 -20. 257 65. 035 1.00 41. 77 C

ATOM 5467 ODl ASN P 210 29. 955 -20. 564 66. 223 1.00 42.: 29 O

-196-

•π 0691216 vl

ATOM 5468 ND2 ASN P 210 30.544 -20.976 64.098 1.00 42.51 N

ATOM 5469 N ALA P 211 28 .936 -16 .257 62 .921 1 .00 40 .52 N

ATOM 5470 CA ALA P 211 28 .126 -15 .135 62 .451 1 .00 40 .16 C

ATOM 5471 C ALA P 211 28 .092 -15 .120 60 .926 1 .00 39 .99 C

ATOM 5472 O ALA P 211 27 .019 -15 .001 60 .330 1 .00 40 .21 O

ATOM 5473 CB ALA P 211 28 .645 -13 .819 62 .998 1 .00 40 .03 C

ATOM 5474 N ILE P 212 29 .268 -15 .266 60 .307 1 .00 39 .66 N

ATOM 5475 CA ILE P 212 29 .404 -15 .374 58 .846 1 .00 39 .00 C

ATOM 5476 C ILE P 212 28 .609 -16 .570 58 .299 1 .00 38 .80 C

ATOM 5477 O ILE P 212 27 .862 -16 .442 57 .322 1 .00 38 .73 O

ATOM 5478 CB ILE P 212 30 .905 -15 .439 58 .424 1 .00 38 .89 C

ATOM 5479 CGl ILE P 212 31 .546 -14 .055 58 .558 1 .00 38 .63 C

ATOM 5480 CG2 ILE P 212 31 .070 -15 .964 56 .997 1 .00 38 .51 C

ATOM 5481 CDl ILE P 212 33 .060 -14 .062 58 .604 1 .00 38 .24 C

ATOM 5482 N GLU P 213 28 .758 -17 .719 58 .953 1 .00 38 .42 N

ATOM 5483 CA GLU P 213 28 .062 -18 .936 58 .560 1 .00 38 .15 C

ATOM 5484 C GLU P 213 26 .552 -18 .751 58 .639 1 .00 37 .80 C

ATOM 5485 O GLU P 213 25 .828 -19 .090 57 .691 1 .00 38 .05 O

ATOM 5486 CB GLU P 213 28 .496 -20 .101 59 .445 1 .00 38 .25 C

ATOM 5487 CG GLU P 213 28 .002 -21 .452 58 .977 1 .00 39 .18 C

ATOM 5488 CD GLU P 213 28 .592 -22 .599 59 .775 1 .00 40 .82 C

ATOM 5489 OEl GLU P 213 29 .391 -22 .344 60 .704 1 .00 41 .77 O

ATOM 5490 OE2 GLU P 213 28 .255 -23 .762 59 .472 1 .00 41 .53 O

ATOM 5491 N TRP P 214 26 .090 -18 .195 59 .761 1 .00 36 .99 N

ATOM 5492 CA TRP P 214 24 .667 -17 .968 59 .988 1 .00 36 .09 C

ATOM 5493 C TRP P 214 24 .043 -17 .054 58 .934 1 .00 36 .11 C

ATOM 5494 O TRP P 214 22 .905 -17 .269 58 .530 1 .00 35 .96 O

ATOM 5495 CB TRP P 214 24 .412 -17 .415 61 .397 1 .00 35 .50 C

ATOM 5496 CG TRP P 214 23 .006 -16 .917 61 .567 1, .00 34 .63 C

ATOM 5497 CDl TRP P 214 21 .915 -17 .653 61 .916 1. .00 33 .73 C

ATOM 5498 CD2 TRP P 214 22 .538 -15 .582 61. .351 1. .00 33 .83 C

ATOM 5499 NEl TRP P 214 20. .797 -16 .862 61. .939 1. .00 33 .46 N

ATOM 5500 CE2 TRP P 214 21. .150 -15 .584 61. .598 1. .00 33. .63 C

ATOM 5501 CE3 TRP P 214 23. .160 -14 .383 60. .974 1. .00 33. .54 C

ATOM 5502 CZ2 TRP P 214 20. .367 -14. .431 61. .486 1. 00 34. .02 C

ATOM 5503 CZ3 TRP P 214 22. ,385 -13. .240 60. .858 1. 00 33. ,92 C

ATOM 5504 CH2 TRP P 214 21. 001 -13. .272 61. 118 1. 00 34. .34 C

ATOM 5505 N SER P 215 24. 785 -16. .039 58. 498 1. 00 36. 31 N

ATOM 5506 CA SER P 215 24. 274 -15. 068 57. 527 1. 00 36. 72 C

ATOM 5507 C SER P 215 23. 991 -15. 697 56. 156 1. 00 36. 89 C

ATOM 5508 O SER P 215 23. 017 -15. 337 55. 479 1. 00 36. 46 O

ATOM 5509 CB SER P 215 25. 236 -13. 887 57. 385 1. 00 36. 71 C

ATOM 5510 OG SER P 215 26. 504 -14. 322 56. 934 1. 00 37. 26 O

ATOM 5511 N VAL P 216 24. 842 -16. 636 55. 753 1. 00 37. 18 N

ATOM 5512 CA VAL P 216 24. 607 -17. 348 54. 510 1. 00 37. 67 C

ATOM 5513 C VAL P 216 23. 520 -18. 391 54. 722 1. 00 37. 93 C

ATOM 5514 O VAL P 216 22. 581 -18. 461 53. 931 1. 00 38. 13 O

ATOM 5515 CB VAL P 216 25. 891 -17. 972 53. 902 1. 00 37. 76 C

ATOM 5516 CGl VAL P 216 25. 555 -18. 735 52. 625 1. 00 38. 13 C

ATOM 5517 CG2 VAL P 216 26. 917 -16. 892 53. 589 1. 00 37. 50 C

ATOM 5518 N LYS P 217 23. 631 -19. 178 55. 793 1. 00 38. 14 N

ATOM 5519 CA LYS P 217 22. 638 -20. 224 56. 070 1. 00 38. 46 C

ATOM 5520 C LYS P 217 21. 221 -19. 698 56. 307 1. 00 38. 66 C

ATOM 5521 O LYS P 217 20. 256 -20. 312 55. 861 1. 00 38. 85 O

ATOM 5522 CB LYS P 217 23. 078 -21. 131 57. 217 1. 00 38. 48 C

ATOM 5523 CG LYS P 217 24. 057 -22. 221 56. 798 1. 00 38. 72 C

ATOM 5524 CD LYS P 217 24. 266 -23. 237 57. 913 1. 00 40. 12 C

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# 10691216 vl

ATOM 5525 CE LYS P 217 25.491 -24.114 57.654 1.00 40.86 C

ATOM 5526 NZ LYS P 217 25 .699 -25 .151 58 .713 1.00 40 .98 N

ATOM 5527 N SER P 218 21 .095 -18 .562 56 .988 1.00 38 .93 N

ATOM 5528 CA SER P 218 19 .786 -17 .941 57 .188 1.00 39 .42 C

ATOM 5529 C SER P 218 19 .253 -17 .286 55 .908 1.00 39 .80 C

ATOM 5530 O SER P 218 18 .045 -17 .143 55 .734 1.00 39 .93 O

ATOM 5531 CB SER P 218 19 .825 -16 .921 58 .329 1.00 39 .40 C

ATOM 5532 OG SER P 218 20 .478 -15 .728 57 .929 1.00 39 .52 O

ATOM 5533 N GLY P 219 20 .156 -16 .887 55 .020 1.00 40 .19 N

ATOM 5534 CA GLY P 219 19 .766 -16 .279 53 .761 1.00 40 .69 C

ATOM 5535 C GLY P 219 19 .829 -14 .764 53 .775 1.00 41 .26 C

ATOM 5536 O GLY P 219 19 .382 -14 .118 52 .830 1.00 41 .28 O

ATOM 5537 N GLN P 220 20 .381 -14 .191 54 .841 1.00 41 .69 N

ATOM 5538 CA GLN P 220 20 .579 -12 .748 54 .906 1.00 42 .36 C

ATOM 5539 C GLN P 220 21 .489 -12 .264 53 .776 1.00 42 .33 C

ATOM 5540 O GLN P 220 21 .195 -11 .248 53 .137 1.00 42 .70 O

ATOM 5541 CB GLN P 220 21 .143 -12 .328 56 .266 1.00 42 .39 C

ATOM 5542 CG GLN P 220 21 .483 -10 .835 56 .369 1.00 43 .14 C

ATOM 5543 CD GLN P 220 22 .299 -10 .489 57 .609 1.00 43 .33 C

ATOM 5544 OEl GLN P 220 22 .015 -9 .505 58 .301 1.00 44 .92 O

ATOM 5545 NE2 GLN P 220 23 .314 -11 .296 57 .896 1.00 44 .18 N

ATOM 5546 N ILE P 221 22 .583 -12 .986 53 .534 1.00 42 .26 N

ATOM 5547 CA ILE P 221 23 .516 -12 .659 52 .445 1.00 42 .18 C

ATOM 5548 C ILE P 221 23 .778 -13 .904 51 .603 1.00 42 .18 C

ATOM 5549 O ILE P 221 24 .193 -14 .934 52 .127 1.00 42 .11 O

ATOM 5550 CB ILE P 221 24 .861 -12 .092 52 .979 1.00 42 .20 C

ATOM 5551 CGl ILE P 221 24 .646 -10 .775 53 .730 1.00 41 .79 C

ATOM 5552 CG2 ILE P 221 25 .857 -11 .879 51 .838 1.00 42 .36 C

ATOM 5553 CDl ILE P 221 25 .662 -10 .525 54 .830 1.00 41, .24 C

ATOM 5554 N ARG P 222 23 .548 -13 .791 50 .298 1.00 42. .45 N

ATOM 5555 CA ARG P 222 23 .661 -14. .924 49 .371 1.00 42. .72 C

ATOM 5556 C ARG P 222 25 .053 -15. .056 48. .743 1.00 42. .80 C

ATOM 5557 O ARG P 222 25. .289 -15. .947 47. .928 1.00 42. 95 O

ATOM 5558 CB ARG P 222 22. .593 -14. .838 48. ,273 1.00 42. 79 C

ATOM 5559 CG ARG P 222 21. .215 -14. ,405 48. .777 1.00 43. 97 C

ATOM 5560 CD ARG P 222 20. .130 -15. 369 48. 359 1.00 45. 45 C

ATOM 5561 NE ARG P 222 19. 621 -15. 093 47. 022 1.00 46. 63 N

ATOM 5562 CZ ARG P 222 18. 345 -14. 840 46. 739 1.00 47. 58 C

ATOM 5563 NHl ARG P 222 17. 420 -14. 826 47. 699 1.00 46. 85 N

ATOM 5564 NH2 ARG P 222 17. 993 -14. 607 45. 481 1.00 48. 21 N

ATOM 5565 N ASN P 223 25. 970 -14. 172 49. 132 1.00 42. 77 N

ATOM 5566 CA ASN P 223 27. 325 -14. 174 48. 595 1.00 42. 59 C

ATOM 5567 C ASN P 223 28. 349 -14. 318 49. 708 1.00 42. 76 C

ATOM 5568 O ASN P 223 28. 570 -13. 394 50. 495 1.00 42. 86 O

ATOM 5569 CB ASN P 223 27. 571 -12. 901 47. 776 1.00 42. 52 C

ATOM 5570 CG ASN P 223 29. 001 -12. 780 47. 268 1.00 41. 65 C

ATOM 5571 ODl ASN P 223 29. 752 -13. 756 47. 220 1.00 40. 48 O

ATOM 5572 ND2 ASN P 223 29. 379 -11. 568 46. 881 1.00 41. 06 N

ATOM 5573 N LEU P 224 28. 978 -15. 485 49. 756 1.00 42. 87 N

ATOM 5574 CA LEU P 224 29. 903 -15. 825 50. 829 1.00 42. 98 C

ATOM 5575 C LEU P 224 31. 111 -14. 886 50. 883 1.00 43. 06 C

ATOM 5576 O LEU P 224 31. 558 -14. 511 51. 969 1.00 43. 02 O

ATOM 5577 CB LEU P 224 30. 328 -17. 294 50. 715 1.00 42. 96 C

ATOM 5578 CG LEU P 224 31. 052 -17. 959 51. 891 1.00 43. 32 C

ATOM 5579 CDl LEU P 224 30. 448 -17. 566 53. 237 1.00 43. 92 C

ATOM 5580 CD2 LEU P 224 31. 080 -19. 480 51. 730 1.00 43. 04 C

ATOM 5581 N GLU P 225 31. 616 -14. 487 49. 715 1.00 43. 15 N

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#10691216 \ 1

ATOM 5582 CA GLU P 225 32.723 -13.530 49.639 1.00 43.22 C

ATOM 5583 C GLU P 225 32 .364 -12 .232 50 .360 1 .00 43 .26 C

ATOM 5584 O GLU P 225 33 .172 -11 .677 51 .103 1 .00 43 .22 O

ATOM 5585 CB GLU P 225 33 .096 -13 .239 48 .183 1 .00 43 .08 C

ATOM 5586 CG GLU P 225 34 .326 -12 .355 48 .024 1 .00 43 .12 C

ATOM 5587 CD GLU P 225 34 .593 -11 .946 46 .585 1 .00 43 .30 C

ATOM 5588 OEl GLU P 225 34 .377 -12 .772 45 .675 1 .00 43 .66 O

ATOM 5589 OE2 GLU P 225 35 .029 -10 .795 46 .360 1 .00 43 .40 O

ATOM 5590 N SER P 226 31 .137 -11 .771 50 .140 1 .00 43 .44 N

ATOM 5591 CA SER P 226 30 .661 -10 .532 50 .727 1 .00 43 .47 C

ATOM 5592 C SER P 226 30 .360 -10 .680 52 .211 1 .00 43 .66 C

ATOM 5593 O SER P 226 30 .610 -9 .757 52 .988 1 .00 43 .95 O

ATOM 5594 CB SER P 226 29 .429 -10 .027 49 .986 1 .00 43 .34 C

ATOM 5595 OG SER P 226 29 .106 -8 .720 50 .414 1 .00 43 .73 O

ATOM 5596 N ALA P 227 29 .828 -11 .840 52 .600 1 .00 43 .69 N

ATOM 5597 CA ALA P 227 29 .513 -12 .123 54 .004 1 .00 43 .55 C

ATOM 5598 C ALA P 227 30 .775 -12 .125 54 .860 1 .00 43 .61 C

ATOM 5599 O ALA P 227 30 .779 -11 .588 55 .965 1 .00 43 .56 O

ATOM 5600 CB ALA P 227 28 .774 -13 .449 54 .134 1 .00 43 .41 C

ATOM 5601 N ARG P 228 31 .846 -12 .709 54 .325 1 .00 43 .76 N

ATOM 5602 CA ARG P 228 33 .119 -12 .833 55 .038 1 .00 43 .94 C

ATOM 5603 C ARG P 228 33 .761 -11 .490 55 .393 1 .00 44 .04 C

ATOM 5604 O ARG P 228 34 .562 -11 .409 56 .330 1 .00 44 .13 O

ATOM 5605 CB ARG P 228 34 .094 -13 .710 54 .244 1 .00 44 .06 C

ATOM 5606 CG ARG P 228 33 .772 -15 .200 54 .324 1 .00 44 .23 C

ATOM 5607 CD ARG P 228 34 .076 -15 .921 53 .020 1 .00 44 .50 C

ATOM 5608 NE ARG P 228 35 .280 -16 .735 53 .090 1 .00 44 .42 N

ATOM 5609 CZ ARG P 228 35 .466 -17 .858 52 .401 1 .00 44 .96 C

ATOM 5610 NHl ARG P 228 34 .522 -18 .315 51 .586 1 .00 44 .50 N

ATOM 5611 NH2 ARG P 228 36 .599 -18. .536 52 .534 1. .00 45 .62 N

ATOM 5612 N VAL P 229 33 .397 -10. .441 54 .657 1. .00 44 .08 N

ATOM 5613 CA VAL P 229 33 .960 -9. .107 54 .888 1. .00 44, .05 C

ATOM 5614 C VAL P 229 32 .973 -8. .142 55 .559 1. .00 44. .32 C

ATOM 5615 O VAL P 229 33. .381 -7. .304 56 .371 1. .00 44. .27 O

ATOM 5616 CB VAL P 229 34. .615 -8. 507 53. .593 1. .00 43. .87 C

ATOM 5617 CGl VAL P 229 33. .735 -8. 712 52. .376 1. 00 43. .41 C

ATOM 5618 CG2 VAL P 229 34. , 993 -7. 035 53. .776 1. 00 43. 41 C

ATOM 5619 N SER P 230 31. 685 -8. 286 55. .248 1. 00 44. 57 N

ATOM 5620 CA SER P 230 30. 661 -7. 373 55. 759 1. 00 44. 95 C

ATOM 5621 C SER P 230 30. 159 -7. 696 57. 172 1. 00 45. 33 C

ATOM 5622 O SER P 230 29. 748 -6. 796 57. 908 1. 00 45. 39 O

ATOM 5623 CB SER P 230 29. 470 -7. 309 54. 800 1. 00 44. 96 C

ATOM 5624 OG SER P 230 28. 597 -8. 412 54. 992 1. 00 44. 91 O

ATOM 5625 N MET P 231 30. 181 -8. 971 57. 545 1. 00 45. 80 N

ATOM 5626 CA MET P 231 29. 546 -9. 409 58. 788 1. 00 46. 34 C

ATOM 5627 C MET P 231 30. 261 -8. 914 60. 050 1. 00 46. 43 C

ATOM 5628 O MET P 231 29. 677 -8. 902 61. 136 1. 00 46. 15 O

ATOM 5629 CB MET P 231 29. 401 -10. 932 58. 810 1. 00 46. 69 C

ATOM 5630 CG MET P 231 27. 977 -11. 418 59. 077 1. 00 47. 75 C

ATOM 5631 SD MET P 231 27. 401 -11. 097 60. 763 1. 00 50. 94 S

ATOM 5632 CE MET P 231 25. 759 -11. 808 60. 706 1. 00 48. 83 C

ATOM 5633 N VAL P 232 31. 515 -8. 487 59. 900 1. 00 46. 67 N

ATOM 5634 CA VAL P 232 32. 282 _ 7 954 61. 030 1. 00 46. 87 C

ATOM 5635 C VAL P 232 31. 816 -6. 550 61. 402 1. 00 46. 91 C

ATOM 5636 O VAL P 232 32. 085 -6. 075 62. 504 1. 00 47. 29 O

ATOM 5637 CB VAL P 232 33. 834 -7. 998 60. 813 1. 00 46. 92 C

ATOM 5638 CGl VAL P 232 34. 285 -9. 369 60. 291 1. 00 47. 13 C

-199-

#10691216 vl

ATOM 5639 CG2 VAL P 232 34.303 -6.895 59.887 1.00 46.96 C

ATOM 5640 N GLY P 233 31 .115 -5 .893 60 .486 1 .00 46 .86 N

ATOM 5641 CA GLY P 233 30 .529 -4 .594 60 .767 1 .00 47 .03 C

ATOM 5642 C GLY P 233 29 .127 -4 .723 61 .337 1 .00 47 .39 C

ATOM 5643 O GLY P 233 28 .495 -3 .722 61 .688 1 .00 47 .45 O

ATOM 5644 N GLN P 234 28 .637 -5 .960 61 .417 1 .00 47 .52 N

ATOM 5645 CA GLN P 234 27 .320 -6 .245 61 .976 1 .00 47 .74 C

ATOM 5646 C GLN P 234 27 .383 -6 .583 63 .465 1 .00 47 .87 C

ATOM 5647 O GLN P 234 26 .413 -6 .389 64 .197 1 .00 47 .60 O

ATOM 5648 CB GLN P 234 26 .667 -7 .398 61 .223 1 .00 47 .75 C

ATOM 5649 CG GLN P 234 26 .001 -6 .996 59 .926 1 .00 48 .68 C

ATOM 5650 CD GLN P 234 25 .086 -8 .081 59 .384 1 .00 49 .86 C

ATOM 5651 OEl GLN P 234 24 .264 -8 .643 60 .113 1 .00 50 .32 O

ATOM 5652 NE2 GLN P 234 25 .223 -8 .381 58 .097 1 .00 50 .52 N

ATOM 5653 N VAL P 235 28 .530 -7 .092 63 .902 1 .00 48 .26 N

ATOM 5654 CA VAL P 235 28 .692 -7 .565 65 .271 1 .00 48 .76 C

ATOM 5655 C VAL P 235 29 .986 -7 .074 65 .933 1 .00 49 .31 C

ATOM 5656 O VAL P 235 30 .981 -6 .801 65 .255 1 .00 49 .13 O

ATOM 5657 CB VAL P 235 28 .615 -9 .119 65 .357 1 .00 48 .69 C

ATOM 5658 CGl VAL P 235 27 .187 -9 .602 65 .174 1 .00 48 .18 C

ATOM 5659 CG2 VAL P 235 29 .538 -9 .776 64 .342 1 .00 48 .64 C

ATOM 5660 N LYS P 236 29 .940 -6 .949 67 .259 1 .00 49 .86 N

ATOM 5661 CA LYS P 236 31 .103 -6 .617 68 .077 1 .00 50 .64 C

ATOM 5662 C LYS P 236 31 .314 -7 .746 69 .090 1 .00 51 .05 C

ATOM 5663 O LYS P 236 30 .572 -8 .731 69 .064 1 .00 51 .22 O

ATOM 5664 CB LYS P 236 30 .908 — S .263 68 .770 1 .00 50 .60 C

ATOM 5665 CG LYS P 236 29 .755 -5 .209 69 .773 1 .00 50 .92 C

ATOM 5666 CD LYS P 236 29 .443 -3 .772 70 .181 1 .00 51 .05 C

ATOM 5667 CE LYS P 236 28 .188 -3 .681 71 .052 1 .00 51 .62 C

ATOM 5668 NZ LYS P 236 28 .425 -4 .142 72 .453 1 .00 51 .26 N

ATOM 5669 N GLN P 237 32 .306 -7. .615 69. .975 1 .00 51 .56 N

ATOM 5670 CA GLN P 237 32. .637 -8. .698 70. .916 1. .00 52 .10 C

ATOM 5671 C GLN P 237 33. .397 -8. ,241 72. .169 1. .00 52. .34 C

ATOM 5672 O GLN P 237 34. .054 -7. .200 72. .154 1. .00 52. .34 O

ATOM 5673 CB GLN P 237 33. .399 -9. 816 70. 179 1. ,00 52. .20 C

ATOM 5674 CG GLN P 237 34. .898 -9. 920 70. 450 1. ,00 52. .38 C

ATOM 5675 CD GLN P 237 35. .217 -11. 002 71. 472 1. 00 53. , 04 C

ATOM 5676 OEl GLN P 237 34. 565 -12. 050 71. 512 1. 00 53. 06 O

ATOM 5677 NE2 GLN P 237 36. 223 -10. 753 72. 303 1. 00 53. 36 N

ATOM 5678 N CYS P 238 33. 297 -9. 025 73. 245 1. 00 52. 75 N

ATOM 5679 CA CYS P 238 34. 047 -8. 772 74. 487 1. 00 53. 19 C

ATOM 5680 C CYS P 238 34. 572 -10. 058 75. 132 1. 00 53. 19 C

ATOM 5681 O CYS P 238 35. 038 -10. 056 76. 278 1. 00 53. 34 O

ATOM 5682 CB CYS P 238 33. 194 -7. 993 75. 491 1. 00 53. 21 C

ATOM 5683 SG CYS P 238 32. 770 -6. 328 74. 963 1. 00 54. 46 S

ATOM 5684 N LYS P 283 32. 938 -12. 547 77. 203 1. 00 42. 00 N

ATOM 5685 CA LYS P 283 31. 695 -12. 297 76. 475 1. 00 42. 15 C

ATOM 5686 C LYS P 283 31. 763 -12. 818 75. 039 1. 00 42. 07 C

ATOM 5687 O LYS P 283 32. 785 -12. 663 74. 371 1. 00 42. 26 O

ATOM 5688 CB LYS P 283 31. 348 -10. 799 76. 461 1. 00 42. 06 C

ATOM 5689 CG LYS P 283 30. 804 -10. 244 77. 772 1. 00 42. 26 C

ATOM 5690 CD LYS P 283 31. 920 -9. 947 78. 771 1. 00 42. 55 C

ATOM 5691 CE LYS P 283 31. 383 -9. 882 80. 188 1. 00 42. 29 C

ATOM 5692 NZ LYS P 283 32. 470 -9. 663 81. 174 1. 00 41. 99 N

ATOM 5693 N PRO P 284 30. 675 -13. 450 74. 564 1. 00 41. 96 N

ATOM 5694 CA PRO P 284 30. 554 -13. 826 73. 156 1. 00 41. 84 C

ATOM 5695 C PRO P 284 30. 329 -12. 610 72. 250 1. 00 41. 69 C

-200-

# 10691216 vl

ATOM 5696 O PRO P 284 30.192 -11.485 72.742 1.00 41.73 O

ATOM 5697 CB PRO P 284 29 .310 -14 .730 73 .140 1 .00 41 .88 C

ATOM 5698 CG PRO P 284 29 .037 -15 .072 74 .582 1 .00 42 .00 C

ATOM 5699 CD PRO P 284 29 .504 -13 .884 75 .343 1 .00 41 .98 C

ATOM 5700 N TYR P 285 30 .306 -12 .847 70 .938 1 .00 41 .41 N

ATOM 5701 CA TYR P 285 29 .986 -11 .822 69 .948 1 .00 41 .07 C

ATOM 5702 C TYR P 285 28 .507 -11 .496 70 .013 1 .00 40 .79 C

ATOM 5703 O TYR P 285 27 .674 -12 .398 70 .085 1 .00 40 .65 O

ATOM 5704 CB TYR P 285 30 .286 -12 .326 68 .536 1 .00 41 .31 C

ATOM 5705 CG TYR P 285 31 .741 -12 .326 68 .123 1 .00 41 .50 C

ATOM 5706 CDl TYR P 285 32 .649 -13 .221 68 .687 1 .00 41 .50 C

ATOM 5707 CD2 TYR P 285 32 .201 -11 .452 67 .136 1 .00 41 .64 C

ATOM 5708 CEl TYR P 285 33 .982 -13 .230 68 .297 1 .00 41 .56 C

ATOM 5709 CE2 TYR P 285 33 .531 -11 .454 66 .739 1 .00 41 .52 C

ATOM 5710 CZ TYR P 285 34 .413 -12 .347 67 .323 1 .00 41 .57 C

ATOM 5711 OH TYR P 285 35 .729 -12 .358 66 .936 1 .00 41 .67 O

ATOM 5712 N THR P 286 28 .183 -10 .207 69 .971 1 .00 40 .48 N

ATOM 5713 CA THR P 286 26 .786 -9 .763 69 .941 1 .00 40 .15 C

ATOM 5714 C THR P 286 26 .545 -8 .685 68 .872 1 .00 39 .77 C

ATOM 5715 O THR P 286 27 .496 -8 .179 68 .270 1 .00 39 .78 O

ATOM 5716 CB THR P 286 26 .299 -9 .295 71 .339 1 .00 40 .23 C

ATOM 5717 OGl THR P 286 24 .905 -8 .967 71 .277 1 .00 40 .74 O

ATOM 5718 CG2 THR P 286 27 .092 -8 .083 71 .825 1 .00 40 .33 C

ATOM 5719 N TRP P 287 25 .276 -8 .347 68 .642 1 .00 39 .33 N

ATOM 5720 CA TRP P 287 24 .894 -7 .356 67 .632 1 .00 38 .98 C

ATOM 5721 C TRP P 287 25 .393 -5 .956 67 .955 1 .00 39 .12 C

ATOM 5722 O TRP P 287 25 .176 -5 .440 69 .053 1 .00 39 .29 O

ATOM 5723 CB TRP P 287 23. .377 -7 .330 67 .436 1 .00 38 .52 C

ATOM 5724 CG TRP P 287 22. .812 -8 .603 66 .868 1 .00 38 .12 C

ATOM 5725 CDl TRP P 287 21. .991 -9. .488 67 .504 1. .00 37. .38 C

ATOM 5726 CD2 TRP P 287 23. .033 -9. .133 65. .551 1. .00 37 , .42 C

ATOM 5727 NEl TRP P 287 21. .684 -10. .530 66. .668 1. .00 37. .66 N

ATOM 5728 CE2 TRP P 287 22. 310 -10. .338 65. .463 1. .00 37. .60 C

ATOM 5729 CE3 TRP P 287 23. 776 -8. .707 64. ,440 1. .00 37. .02 C

ATOM 5730 CZ2 TRP P 287 22. 302 -11. .124 64. .304 1. .00 37. 51 C

ATOM 5731 CZ3 TRP P 287 23. 768 -9. 487 63. 291 1. 00 37. 21 C

ATOM 5732 CH2 TRP P 287 23. 036 -10. 682 63. 234 1. 00 37. 33 C

ATOM 5733 N ARG P 288 26. 061 -5. 351 66. 980 1. 00 39. 36 N

ATOM 5734 CA ARG P 288 26. 612 -4. 002 67. 100 1. 00 39. 67 C

ATOM 5735 C ARG P 288 25. 530 -2. 998 67. 494 1. 00 39. 68 C

ATOM 5736 O ARG P 288 25. 797 -2. 038 68. 213 1. 00 39. 74 O

ATOM 5737 CB ARG P 288 27. 259 -3. 595 65. 771 1. 00 39. 78 C

ATOM 5738 CG ARG P 288 28. 460 -2. 679 65. 885 1. 00 40. 35 C

ATOM 5739 CD ARG P 288 29. 371 -2. 822 64. 658 1. 00 41. 37 C

ATOM 5740 NE ARG P 288 30. 422 _ 7 832 64. 824 1. 00 41. 99 N

ATOM 5741 CZ ARG P 288 31. 600 -3. 610 65. 413 1. 00 42. 47 C

ATOM 5742 NHl ARG P 288 31. 896 -2. 411 65. 907 1. 00 41. 61 N

ATOM 5743 NH2 ARG P 288 32. 489 -4. 592 65. 515 1. 00 42. 86 N

ATOM 5744 N ILE P 289 24. 308 -3. 243 67. 026 1. 00 39. 80 N

ATOM 5745 CA ILE P 289 23. 163 -2. 396 67. 339 1. 00 39. 84 C

ATOM 5746 C ILE P 289 21. 896 -3. 223 67. 597 1. 00 40. 06 C

ATOM 5747 O ILE P 289 21. 464 -3. 996 66. 744 1. 00 40. 02 O

ATOM 5748 CB ILE P 289 22. 923 -1. 309 66. 239 1. 00 39. 86 C

ATOM 5749 CGl ILE P 289 21. 720 -0. 425 66. 601 1. 00 39. 51 C

ATOM 5750 CG2 ILE P 289 22. 789 -1. 937 64. 835 1. 00 39. 21 C

ATOM 5751 CDl ILE P 289 21. 706 0. 918 65. 905 1. 00 38. 93 C

ATOM 5752 N GLU P 290 21. 323 -3. 064 68. 788 1. 00 40. 35 N

-201-

^ 10691216 v )

ATOM 5753 CA GLU P 290 20.031 -3.662 69.117 1.00 40.73 C

ATOM 5754 C GLU P 290 18 .948 -2 .975 68 .259 1 .00 40 .69 C

ATOM 5755 O GLU P 290 18 .222 -2 .089 68 .719 1 .00 40 .79 O

ATOM 5756 CB GLU P 290 19 .754 -3 .538 70 .623 1 .00 40 .35 C

ATOM 5757 CG GLU P 290 18 .669 -4 .477 71 .154 1 .00 40 .94 C

ATOM 5758 CD GLU P 290 18 .607 -4 .544 72 .690 1 .00 41 .60 C

ATOM 5759 OEl GLU P 290 17 .591 -5 .043 73 .223 1 .00 42 .85 O

ATOM 5760 OE2 GLU P 290 19 .563 -4 .107 73 .374 1 .00 42 .44 O

ATOM 5761 N LEU P 291 18 .862 -3 .401 67 .002 1 .00 40 .71 N

ATOM 5762 CA LEU P 291 18 .068 -2 .722 65 .971 1 .00 40 .87 C

ATOM 5763 C LEU P 291 16 .564 -2 .715 66 .231 1 .00 41 .12 C

ATOM 5764 O LEU P 291 15 .830 -1 .902 65 .661 1 .00 41 .05 O

ATOM 5765 CB LEU P 291 18 .352 -3 .348 64 .604 1 .00 40 .73 C

ATOM 5766 CG LEU P 291 18 .114 -2 .540 63 .330 1 .00 40 .34 C

ATOM 5767 CDl LEU P 291 18 .926 -1 .257 63 .300 1 .00 39 .34 C

ATOM 5768 CD2 LEU P 291 18 .460 -3 .416 62 .145 1 .00 40 .80 C

ATOM 5769 N ALA P 292 16 .111 -3 .625 67 .086 1 .00 41 .40 N

ATOM 5770 CA ALA P 292 14 .708 _ ^ .693 67 .449 1 .00 41 .54 C

ATOM 5771 C ALA P 292 14 .300 -2 .425 68 .190 1 .00 41 .66 C

ATOM 5772 O ALA P 292 13 .135 -2 .042 68 .159 1 .00 41 .91 O

ATOM 5773 CB ALA P 292 14 .437 -4 .925 68 .285 1 .00 41 .59 C

ATOM 5774 N LYS P 293 15 .272 -1 .773 68 .829 1 .00 41 .76 N

ATOM 5775 CA LYS P 293 15 .045 -0 .529 69 .571 1 .00 42 .12 C

ATOM 5776 C LYS P 293 14 .629 0 .616 68 .661 1 .00 41 .97 C

ATOM Sill O LYS P 293 13 .921 1 .525 69 .085 1 .00 41 .91 O

ATOM 5778 CB LYS P 293 16 .312 -0 .099 70 .325 1 .00 42 .24 C

ATOM 5779 CG LYS P 293 16 .700 -0 .941 71 .539 1 .00 42 .49 C

ATOM 5780 CD LYS P 293 17 .821 -0 .241 72 .313 1 .00 42 .65 C

ATOM 5781 CE LYS P 293 18 .285 -1 .036 73 .533 1 .00 43 .40 C

ATOM 5782 NZ LYS P 293 17 .297 -1 .021 74 .649 1 .00 43 .46 N

ATOM 5783 N THR P 294 15 .085 0 .563 67 .411 1 .00 42 .10 N

ATOM 5784 CA THR P 294 14 .923 1 .661 66. .461 1 .00 41 .93 C

ATOM 5785 C THR P 294 13. .544 1 .684 65, .807 1 .00 42 .29 C

ATOM 5786 O THR P 294 13. .283 2 .514 64. .936 1, .00 42. .25 O

ATOM 5787 CB THR P 294 15. .986 1 .601 65. .352 1. .00 41. .80 C

ATOM 5788 OGl THR P 294 15. .727 0. .474 64. .507 1. .00 41. , 73 O

ATOM 5789 CG2 THR P 294 17. 389 1. .497 65. 939 1. .00 40. .91 C

ATOM 5790 N GLU P 295 12. 662 0. .785 66. 237 1. 00 42. 75 N

ATOM 5791 CA GLU P 295 11. 324 0. 674 65. 659 1. 00 43. 25 C

ATOM 5792 C GLU P 295 10. 545 1. 995 65. 636 1. 00 43. 15 C

ATOM 5793 O GLU P 295 9. 792 2. 256 64. 694 1. 00 43. 12 O

ATOM 5794 CB GLU P 295 10. 510 -0. 398 66. 376 1. 00 43. 48 C

ATOM 5795 CG GLU P 295 9. 493 -1. 070 65. 459 1. 00 44. 89 C

ATOM 5796 CD GLU P 295 8. 190 -1. 434 66. 152 1. 00 46. 46 C

ATOM 5797 OEl GLU P 295 8. 222 -1. 875 67. 332 1. 00 46. 98 O

ATOM 5798 OE2 GLU P 295 7. 132 -1. 285 65. 496 1. 00 46. 40 O

ATOM 5799 N LYS P 296 10. 743 2. 823 66. 661 1. 00 43. 06 N

ATOM 5800 CA LYS P 296 10. 063 4. 117 66. 768 1. 00 43. 05 C

ATOM 5801 C LYS P 296 10. 403 5. 103 65. 642 1. 00 43. 10 C

ATOM 5802 O LYS P 296 9. 634 6. 030 65. 378 1. 00 43. 24 O

ATOM 5803 CB LYS P 296 10. 318 4. 760 68. 136 1. 00 43. 05 C

ATOM 5804 CG LYS P 296 11. 782 5. 088 68. 440 1. 00 43. 13 C

ATOM 5805 CD LYS P 296 11. 909 6. 149 69. 539 1. 00 43. 19 C

ATOM 5806 CE LYS P 296 11. 792 5. 564 70. 945 1. 00 43. 54 C

ATOM 5807 NZ LYS P 296 13. 056 4. 905 71. 387 1. 00 43. 67 N

ATOM 5808 N TYR P 297 11. 540 4. 901 64. 978 1. 00 43. 01 N

ATOM 5809 CA TYR P 297 11. 968 5. 793 63. 896 1. 00 42. 75 C

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ATOM 5810 C TYR P 297 11.622 5.284 62.496 1.00 42.40 C

ATOM 5811 O TYR P 297 11 .880 5 .977 61 .511 1 .00 42 .31 O

ATOM 5812 CB TYR P 297 13 .472 6 .091 63 .996 1 .00 42 .93 C

ATOM 5813 CG TYR P 297 13 .883 6 .674 65 .328 1 .00 43 .34 C

ATOM 5814 CDl TYR P 297 13 .513 7 .971 65 .686 1 .00 43 .53 C

ATOM 5815 CD2 TYR P 297 14 .632 5 .927 66 .237 1 .00 43 .60 C

ATOM 5816 CEl TYR P 297 13 .876 8 .511 66 .915 1 .00 43 .58 C

ATOM 5817 CE2 TYR P 297 15 .003 6 .457 67 .470 1 .00 43 .56 C

ATOM 5818 CZ TYR P 297 14 .619 7 .751 67 .801 1 .00 43 .68 C

ATOM 5819 OH TYR P 297 14 .973 8 .290 69 .020 1 .00 43 .72 O

ATOM 5820 N TRP P 298 11 .028 4 .092 62 .410 1 .00 42 .02 N

ATOM 5821 CA TRP P 298 10 .776 3 .451 61 .110 1 .00 41 .78 C

ATOM 5822 C TRP P 298 9 .707 4 .133 60 .268 1 .00 41 .71 C

ATOM 5823 O TRP P 298 9 .818 4 .167 59 .037 1 .00 41 .53 O

ATOM 5824 CB TRP P 298 10 .426 1 .972 61 .254 1 .00 41 .56 C

ATOM 5825 CG TRP P 298 11 .512 1 .128 61 .825 1 .00 41 .32 C

ATOM 5826 CDl TRP P 298 12 .784 1 .515 62 .148 1 .00 40 .92 C

ATOM 5827 CD2 TRP P 298 11 .432 -0 .268 62 .115 1 .00 40 .94 C

ATOM 5828 NEl TRP P 298 13 .490 0 .449 62 .643 1 .00 40 .93 N

ATOM 5829 CE2 TRP P 298 12 .684 -0 .660 62 .631 1 .00 40 .90 C

ATOM 5830 CE3 TRP P 298 10 .417 -1 .227 61 .995 1 .00 40 .63 C

ATOM 5831 CZ2 TRP P 298 12 .948 -1 .971 63 .031 1 .00 41 .30 C

ATOM 5832 CZ3 TRP P 298 10 .681 -2 .529 62 .390 1 .00 41 .00 C

ATOM 5833 CH2 TRP P 298 11 .937 -2 .890 62 .901 1 .00 41 .18 C

ATOM 5834 N ASP P 299 8 .671 4 .649 60 .927 1 .00 41 .66 N

ATOM 5835 CA ASP P 299 7 .628 5 .407 60 .239 1 .00 41 .75 C

ATOM 5836 C ASP P 299 8 .195 6 .662 59 .576 1 .00 41 .72 C

ATOM 5837 O ASP P 299 7 .889 6 .949 58. .414 1 .00 42 .02 O

ATOM 5838 CB ASP P 299 6 .479 5 .760 61. .181 1, .00 41. .84 C

ATOM 5839 CG ASP P 299 5. .299 6 .358 60. .448 1. .00 42. .08 C

ATOM 5840 ODl ASP P 299 4 , .370 5 .599 60. .098 1. .00 42. .38 O

ATOM 5841 OD2 ASP P 299 5. .312 7 .580 60. .197 1. .00 42. .52 O

ATOM 5842 N GLY P 300 9. .039 7 .380 60. .311 1. .00 41. .55 N

ATOM 5843 CA GLY P 300 9. .721 8. .560 59. 799 1. ,00 41. .55 C

ATOM 5844 C GLY P 300 10. .692 8. .280 58. 665 1. .00 41. .64 C

ATOM 5845 O GLY P 300 10. .995 9. .175 57. 873 1. 00 41. 86 O

ATOM 5846 N TRP P 301 11. 178 7. , 043 58. 576 1. 00 41. 65 N

ATOM 5847 CA TRP P 301 12. 111 6. .663 57. 510 1. 00 41. 55 C

ATOM 5848 C TRP P 301 11. 424 6. 501 56. 162 1. 00 41. 49 C

ATOM 5849 O TRP P 301 11. 834 7. 124 55. 181 1. 00 41. 83 O

ATOM 5850 CB TRP P 301 12. 869 5. 372 57. 843 1. 00 41. 64 C

ATOM 5851 CG TRP P 301 13. 851 5. 460 58. 979 1. 00 41. 69 C

ATOM 5852 CDl TRP P 301 14. 266 6. 586 59. 633 1. 00 41. 82 C

ATOM 5853 CD2 TRP P 301 14. 572 4. 371 59. 563 1. 00 41. 68 C

ATOM 5854 NEl TRP P 301 15. 178 6. 261 60. 604 1. 00 41. 57 N

ATOM 5855 CE2 TRP P 301 15. 388 4. 908 60. 583 1. 00 41. 55 C

ATOM 5856 CE3 TRP P 301 14. 603 2. 989 59. 328 1. 00 42. 04 C

ATOM 5857 CZ2 TRP P 301 16. 230 4. 113 61. 372 1. 00 41. 81 C

ATOM 5858 CZ3 TRP P 301 15. 437 2. 197 60. 114 1. 00 42. 29 C

ATOM 5859 CH2 TRP P 301 16. 239 2. 766 61. 129 1. 00 41. 99 C

ATOM 5860 N PHE P 302 10. 384 5. 666 56. 115 1. 00 41. 25 N

ATOM 5861 CA PHE P 302 9. 757 282 54. 842 1. 00 41. 03 C

ATOM 5862 C PHE P 302 8. 535 6. 119 54. 438 1. 00 40. 90 C

ATOM 5863 O PHE P 302 8. 163 6. 120 53. 266 1. 00 40. 76 O

ATOM 5864 CB PHE P 302 9. 380 3. 791 54. 820 1. 00 41. 03 C

ATOM 5865 CG PHE P 302 10. 443 2. 886 55. 356 1. 00 41. 00 C

ATOM 5866 CDl PHE P 302 11. 553 2. 557 54. 587 1. 00 41. 37 C

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ATOM 5867 CD2 PHE P 302 10.331 2.355 56.635 1.00 41.08 C

ATOM 5868 CEl PHE P 302 12 .542 1 .721 55 .094 1 .00 41 .58 C

ATOM 5869 CE2 PHE P 302 11 .312 1 .517 57 .149 1 .00 41 .42 C

ATOM 5870 CZ PHE P 302 12 .416 1 .199 56 .379 1 .00 41 .44 C

ATOM 5871 N ARG P 303 7 .900 6 .806 55 .388 1 .00 40 .65 N

ATOM 5872 CA ARG P 303 6 .704 7 .578 55 .048 1 .00 40 .46 C

ATOM 5873 C ARG P 303 7 .017 8 .595 53 .957 1 .00 40 .36 C

ATOM 5874 O ARG P 303 8 .064 9 .232 53 .980 1 .00 40 .47 O

ATOM 5875 CB ARG P 303 6 .104 8 .262 56 .272 1 .00 40 .32 C

ATOM 5876 CG ARG P 303 4 .683 8 .730 56 .048 1 .00 40 .06 C

ATOM 5877 CD ARG P 303 3 .987 9 .100 57 .356 1 .00 39 .67 C

ATOM 5878 NE ARG P 303 3 .348 7 .959 58 .009 1 .00 39 .11 N

ATOM 5879 CZ ARG P 303 2 .235 7 .366 57 .580 1 .00 38 .99 C

ATOM 5880 NHl ARG P 303 1 .629 7 .781 56 .473 1 .00 38 .86 N

ATOM 5881 NH2 ARG P 303 1 .727 6 .347 58 .257 1 .00 38 .53 N

ATOM 5882 N GLY P 304 6 .119 8 .702 52 .982 1 .00 40 .31 N

ATOM 5883 CA GLY P 304 6 .257 9 .627 51 .858 1 .00 39 .92 C

ATOM 5884 C GLY P 304 7 .531 9 .509 51 .050 1 .00 39 .83 C

ATOM 5885 O GLY P 304 7 .852 10 .410 50 .278 1 .00 40 .26 O

ATOM 5886 N LEU P 305 8 .254 8 .405 51 .221 1 .00 39 .59 N

ATOM 5887 CA LEU P 305 9 .552 8 .198 50 .574 1 .00 39 .54 C

ATOM 5888 C LEU P 305 9 .454 8 .098 49 .044 1 .00 39 .69 C

ATOM 5889 O LEU P 305 10 .368 8 .511 48 .326 1 .00 39 .54 O

ATOM 5890 CB LEU P 305 10 .246 6 .953 51 .158 1 .00 39 .61 C

ATOM 5891 CG LEU P 305 11 .635 6 .506 50 .676 1 .00 39 .61 C

ATOM 5892 CDl LEU P 305 12 .728 7 .475 51 .130 1 .00 39 .16 C

ATOM 5893 CD2 LEU P 305 11 .937 5 .090 51 .145 1 .00 39 .51 C

ATOM 5894 N SER P 306 8 .354 7 .545 48 .547 1 .00 39 .84 N

ATOM 5895 CA SER P 306 8. .166 7. .443 47 .106 1 .00 40. .09 C

ATOM 5896 C SER P 306 8. .002 8. .830 46 .485 1. .00 40. .30 C

ATOM 5897 O SER P 306 8. .767 9. .199 45 .590 1. .00 40. .36 O

ATOM 5898 CB SER P 306 7. .001 6. .516 46 .766 1. .00 39. .95 C

ATOM 5899 OG SER P 306 7. .345 5. .178 47. .088 1. .00 39. .91 O

ATOM 5900 N ASN P 307 7. .035 9. .600 46, .985 1. .00 40. , 35 N

ATOM 5901 CA ASN P 307 6. 834 10. 976 46. .540 1. .00 40. 44 C

ATOM 5902 C ASN P 307 8. 067 11. 847 46. .742 1. 00 40. 63 C

ATOM 5903 O ASN P 307 8. 360 12. 720 45. .924 1. 00 40. 82 O

ATOM 5904 CB ASN P 307 5. 631 11. 606 47. 246 1. 00 40. 40 C

ATOM 5905 CG ASN P 307 4. 315 11. 308 46. 543 1. 00 40. 24 C

ATOM 5906 ODl ASN P 307 3. 264 11. 816 46. 941 1. 00 39. 42 O

ATOM 5907 ND2 ASN P 307 4. 367 10. 488 45. 488 1. 00 39. 66 N

ATOM 5908 N LEU P 308 8. 785 11. 604 47. 835 1. 00 40. 79 N

ATOM 5909 CA LEU P 308 10. 024 12. 316 48. 102 1. 00 41. 03 C

ATOM 5910 C LEU P 308 11. 107 11. 976 47. 064 1. 00 41. 24 C

ATOM 5911 O LEU P 308 11. 722 12. 875 46. 485 1. 00 41. 18 O

ATOM 5912 CB LEU P 308 10. 510 12. 042 49. 529 1. 00 40. 78 C

ATOM 5913 CG LEU P 308 11. 468 13. 089 50. 113 1. 00 40. 85 C

ATOM 5914 CDl LEU P 308 10. 896 14. 511 50. 033 1. 00 40. 21 C

ATOM 5915 CD2 LEU P 308 11. 837 12. 737 51. 546 1. 00 40. 97 C

ATOM 5916 N PHE P 309 11. 317 10. 682 46. 835 1. 00 41. 39 N

ATOM 5917 CA PHE P 309 12. 267 10. 192 45. 843 1. 00 41. 92 C

ATOM 5918 C PHE P 309 11. 975 10. 800 44. 470 1. 00 42. 21 C

ATOM 5919 O PHE P 309 12. 880 11. 280 43. 787 1. 00 42. 23 O

ATOM 5920 CB PHE P 309 12. 207 8. 659 45. 811 1. 00 42. 04 C

ATOM 5921 CG PHE P 309 12. 936 8. 020 44. 655 1. 00 42. 64 C

ATOM 5922 CDl PHE P 309 14. 315 7. 834 44. 694 1. 00 43. 60 C

ATOM 5923 CD2 PHE P 309 12. 231 7. 551 43. 546 1. 00 42. 98 C

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ATOM 5924 CEl PHE P 309 14.985 7.217 43.628 1.00 43.61 C

ATOM 5925 CE2 PHE P 309 12 .892 6 .934 42 .479 1 .00 42 .35 C

ATOM 5926 CZ PHE P 309 14 .264 6 .766 42 .520 1 .00 42 .72 C

ATOM 5927 N LEU P 310 10 .695 10 .804 44 .100 1 .00 42 .47 N

ATOM 5928 CA LEU P 310 10 .229 11 .341 42 .828 1 .00 42 .34 C

ATOM 5929 C LEU P 310 10 .431 12 .842 42 .679 1 .00 42 .56 C

ATOM 5930 O LEU P 310 10 .502 13 .341 41 .556 1 .00 42 .88 O

ATOM 5931 CB LEU P 310 8 .749 11 .011 42 .624 1 .00 42 .25 C

ATOM 5932 CG LEU P 310 8 .376 9 .568 42 .268 1 .00 41 .78 C

ATOM 5933 CDl LEU P 310 6 .885 9 .372 42 .374 1 .00 40 .54 C

ATOM 5934 CD2 LEU P 310 8 .857 9 .188 40 .872 1 .00 42 .24 C

ATOM 5935 N SER P 311 10 .525 13 .560 43 .796 1 .00 42 .70 N

ATOM 5936 CA SER P 311 10 .625 15 .024 43 .756 1 .00 42 .89 C

ATOM 5937 C SER P 311 12 .050 15 .560 43 .621 1 .00 43 .19 C

ATOM 5938 O SER P 311 12 .236 16 .761 43 .433 1 .00 43 .17 O

ATOM 5939 CB SER P 311 9 .937 15 .656 44 .972 1 .00 42 .85 C

ATOM 5940 OG SER P 311 10 .755 15 .601 46 .125 1 .00 42 .81 O

ATOM 5941 N CYS P 312 13 .047 14 .681 43 .720 1 .00 43 .66 N

ATOM 5942 CA CYS P 312 14 .447 15 .089 43 .579 1 .00 44 .20 C

ATOM 5943 C CYS P 312 14 .785 15 .231 42 .104 1 .00 44 .45 C

ATOM 5944 O CYS P 312 14 .900 14 .233 41 .402 1 .00 44 .72 O

ATOM 5945 CB CYS P 312 15 .387 14 .082 44 .233 1 .00 44 .13 C

ATOM 5946 SG CYS P 312 14 .970 13 .690 45 .941 1 .00 45 .23 S

ATOM 5947 N PRO P 313 14 .971 16 .476 41 .633 1 .00 44 .79 N

ATOM 5948 CA PRO P 313 15 .036 16 .740 40 .190 1 .00 44 .92 C

ATOM 5949 C PRO P 313 16 .401 16 .394 39 .585 1 .00 44 .86 C

ATOM 5950 O PRO P 313 16 .982 17 .193 38 .841 1 .00 45 .12 O

ATOM 5951 CB PRO P 313 14 .746 18. .252 40 .082 1. .00 44 .96 C

ATOM 5952 CG PRO P 313 14 .691 18. .787 41 .518 1 .00 45 .03 C

ATOM 5953 CD PRO P 313 15. .182 17. .699 42 .428 1, .00 44 .88 C

ATOM 5954 N ILE P 314 16, .899 15. .207 39 .909 1, .00 44 , .50 N

ATOM 5955 CA ILE P 314 18, .199 14. ,753 39. .434 1. .00 44 , .16 C

ATOM 5956 C ILE P 314 18. .055 13. ,326 38. .921 1. .00 43. .95 C

ATOM 5957 O ILE P 314 17. .133 12. .617 39. .338 1. ,00 43. ,95 O

ATOM 5958 CB ILE P 314 19. .289 14. 823 40. .547 1. , 00 44. .28 C

ATOM 5959 CGl ILE P 314 18. .876 14. 016 41. .782 1. 00 43. .82 C

ATOM 5960 CG2 ILE P 314 19. 600 16. 276 40. .925 1. 00 44. 11 C

ATOM 5961 CDl ILE P 314 20. 045 13. 561 42. 598 1. 00 43. 50 C

ATOM 5962 N PRO P 315 18. 952 12. 898 38. 009 1. 00 43. 68 N

ATOM 5963 CA PRO P 315 18. 845 11. 529 37. 490 1. 00 43. 40 C

ATOM 5964 C PRO P 315 18. 802 10. 507 38. 624 1. 00 42. 88 C

ATOM 5965 O PRO P 315 19. 666 10. 530 39. 506 1. 00 43. 04 O

ATOM 5966 CB PRO P 315 20. 120 11. 370 36. 653 1. 00 43. 40 C

ATOM 5967 CG PRO P 315 20. 464 12. 762 36. 238 1. 00 43. 55 C

ATOM 5968 CD PRO P 315 20. 085 13. 625 37. 406 1. 00 43. 65 C

ATOM 5969 N LYS P 316 17. 785 9. 650 38. 608 1. 00 42. 23 N

ATOM 5970 CA LYS P 316 17. 590 8. 667 39. 671 1. 00 41. 69 C

ATOM 5971 C LYS P 316 17. 648 7. 229 39. 173 1. 00 41. 71 C

ATOM 5972 O LYS P 316 17. 172 6. 912 38. 075 1. 00 41. 84 O

ATOM 5973 CB LYS P 316 16. 269 8. 904 40. 408 1. 00 41. 64 C

ATOM 5974 CG LYS P 316 16. 212 10. 194 41. 209 1. 00 40. 84 C

ATOM 5975 CD LYS P 316 14. 836 10. 405 41. 828 1. 00 40. 90 C

ATOM 5976 CE LYS P 316 13. 740 10. 733 40. 798 1. 00 39. 19 C

ATOM 5977 NZ LYS P 316 13. 937 12. 027 40. 093 1. 00 37. 28 N

ATOM 5978 N LEU P 317 18. 238 6. 371 40. 003 1. 00 41. 31 N

ATOM 5979 CA LEU P 317 18. 282 4. 936 39. 769 1. 00 40. 89 C

ATOM 5980 C LEU P 317 17. 635 4. 192 40. 945 1. 00 40. 70 C

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ATOM 5981 O LEU P 317 17.835 4.554 42.105 1.00 40.52 O

ATOM 5982 CB LEU P 317 19 .727 4 .480 39 .555 1 .00 40 .79 C

ATOM 5983 CG LEU P 317 20 .000 3 .018 39 .177 1 .00 40 .99 C

ATOM 5984 CDl LEU P 317 19 .251 2 .577 37 .909 1 .00 39 .73 C

ATOM 5985 CD2 LEU P 317 21 .504 2 .794 39 .027 1 .00 41 .01 C

ATOM 5986 N LEU P 318 16 .837 3 .174 40 .627 1 .00 40 .47 N

ATOM 5987 CA LEU P 318 16 .216 2 .323 41 .629 1 .00 40 .28 C

ATOM 5988 C LEU P 318 16 .450 0 .851 41 .287 1 .00 40 .35 C

ATOM 5989 O LEU P 318 16 .043 0 .380 40 .227 1 .00 40 .40 O

ATOM 5990 CB LEU P 318 14 .721 2 .627 41 .747 1 .00 40 .16 C

ATOM 5991 CG LEU P 318 13 .921 1 .818 42 .777 1 .00 39 .81 C

ATOM 5992 CDl LEU P 318 14 .032 2 .411 44 .165 1 .00 39 .14 C

ATOM 5993 CD2 LEU P 318 12 .467 1 .718 42 .372 1 .00 39 .93 C

ATOM 5994 N LEU P 319 17 .126 0 .138 42 .185 1 .00 40 .48 N

ATOM 5995 CA LEU P 319 17 .423 -1 .281 41 .988 1 .00 40 .55 C

ATOM 5996 C LEU P 319 16 .619 -2 .141 42 .960 1 .00 40 .87 C

ATOM 5997 O LEU P 319 16 .629 -1 .901 44 .172 1 .00 40 .93 O

ATOM 5998 CB LEU P 319 18 .925 -1 .551 42 .133 1 .00 40 .25 C

ATOM 5999 CG LEU P 319 19 .910 -0 .749 41 .266 1 .00 40 .15 C

ATOM 6000 CDl LEU P 319 21 .350 -1 .129 41 .586 1 .00 39 .87 C

ATOM 6001 CD2 LEU P 319 19 .658 -0 .911 39 .779 1 .00 38 .93 C

ATOM 6002 N LEU P 320 15 .911 -3 .131 42 .416 1 .00 41 .16 N

ATOM 6003 CA LEU P 320 15 .060 -4 .017 43 .212 1 .00 41 .63 C

ATOM 6004 C LEU P 320 15 .376 -5 .493 42 .970 1 .00 42 .00 C

ATOM 6005 O LEU P 320 15 .830 -5 .877 41 .881 1 .00 42 .12 O

ATOM 6006 CB LEU P 320 13 .576 -3 .772 42 .905 1 .00 41 .46 C

ATOM 6007 CG LEU P 320 13 .004 -2 .351 42 .890 1 .00 41 .66 C

ATOM 6008 CDl LEU P 320 11 .572 -2 .374 42 .322 1 .00 41 .28 C

ATOM 6009 CD2 LEU P 320 13 .064 -1 .657 44 .267 1 .00 40 .43 C

ATOM 6010 N ALA P 321 15 .119 -6. .319 43 .984 1 .00 42 .21 N

ATOM 6011 CA ALA P 321 15 .198 -7. .769 43 .825 1 .00 42 .42 C

ATOM 6012 C ALA P 321 13. .976 -8. .320 43 .084 1. .00 42 , .50 C

ATOM 6013 O ALA P 321 13. .969 -9. .478 42. .685 1. .00 42. .86 O

ATOM 6014 CB ALA P 321 15. .365 -8. .456 45. .177 1. .00 42. .33 C

ATOM 6015 N GLY P 322 12. , 947 -7. .492 42. .904 1. .00 42. .54 N

ATOM 6016 CA GLY P 322 11. .731 -7. 905 42. .197 1. .00 42. .55 C

ATOM 6017 C GLY P 322 10. 697 -6. 805 42. ,021 1. 00 42. 46 C

ATOM 6018 O GLY P 322 10. 623 -5. 884 42. 831 1. 00 42. 51 O

ATOM 6019 N VAL P 323 9. 891 -6. 902 40. 964 1. 00 42. 34 N

ATOM 6020 CA VAL P 323 8. 837 -5. 921 40. 708 1. 00 42. 27 C

ATOM 6021 C VAL P 323 7. 807 -5. 865 41. 833 1. 00 42. 44 C

ATOM 6022 O VAL P 323 7. 078 -4. 892 41. 951 1. 00 42. 60 O

ATOM 6023 CB VAL P 323 8. 105 -6. 161 39. 366 1. 00 42. 14 C

ATOM 6024 CGl VAL P 323 9. 050 -5. 984 38. 202 1. 00 41. 86 C

ATOM 6025 CG2 VAL P 323 7. 434 -7. 531 39. 338 1. 00 42. 14 C

ATOM 6026 N ASP P 324 7. 761 -6. 912 42. 653 1. 00 42. 74 N

ATOM 6027 CA ASP P 324 6. 890 -6. 964 43. 831 1. 00 42. 88 C

ATOM 6028 C ASP P 324 7. 161 -5. 829 44. 826 1. 00 42. 61 C

ATOM 6029 O ASP P 324 6. 286 _ ^ 491 45. 612 1. 00 42. 97 O

ATOM 6030 CB ASP P 324 7. 003 -8. 330 44. 539 1. 00 42. 97 C

ATOM 6031 CG ASP P 324 8. 317 -8. 494 45. 322 1. 00 44. 32 C

ATOM 6032 ODl ASP P 324 9. 326 -7. 828 44. 982 1. 00 45. 99 O

ATOM 6033 OD2 ASP P 324 8. 346 -9. 291 46. 291 1. 00 45. 43 O

ATOM 6034 N ARG P 325 8. 358 ~ 5 248 44. 797 1. 00 42. 21 N

ATOM 6035 CA ARG P 325 8. 678 -4. 151 45. 714 1. 00 42. 57 C

ATOM 6036 C ARG P 325 7. 873 -2. 880 45. 447 1. 00 42. 30 C

ATOM 6037 O ARG P 325 7. 667 _ 2 085 46. 364 1. 00 42. 49 O

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ATOM 6038 CB ARG P 325 10.167 -3.766 45.693 1.00 42.79 C

ATOM 6039 CG ARG P 325 11 .185 -4 .887 45 .669 1 .00 44 .41 C

ATOM 6040 CD ARG P 325 10 .958 -5 .927 46 .734 1 .00 46 .74 C

ATOM 6041 NE ARG P 325 12 .221 -6 .446 47 .239 1 .00 48 .19 N

ATOM 6042 CZ ARG P 325 12 .402 -7 .689 47 .665 1 .00 49 .38 C

ATOM 6043 NHl ARG P 325 11 .403 -8 .566 47 .626 1 .00 49 .96 N

ATOM 6044 NH2 ARG P 325 13 .593 -8 .055 48 .118 1 .00 49 .84 N

ATOM 6045 N LEU P 326 7 .448 -2 .675 44 .200 1 .00 41 .79 N

ATOM 6046 CA LEU P 326 6 .793 -1 .422 43 .804 1 .00 41 .26 C

ATOM 6047 C LEU P 326 5 .479 -1 .159 44 .547 1 .00 40 .95 C

ATOM 6048 O LEU P 326 4 .691 -2 .081 44 .789 1 .00 40 .57 O

ATOM 6049 CB LEU P 326 6 .558 -1 .371 42 .290 1 .00 41 .12 C

ATOM 6050 CG LEU P 326 7 .768 -1 .291 41 .353 1 .00 41 .39 C

ATOM 6051 CDl LEU P 326 7 .354 -1 .694 39 .958 1 .00 41 .93 C

ATOM 6052 CD2 LEU P 326 8 .419 0 .092 41 .338 1 .00 41 .04 C

ATOM 6053 N ASP P 327 5 .283 0 .106 44 .921 1 .00 40 .41 N

ATOM 6054 CA ASP P 327 4 .027 0 .592 45 .477 1 .00 39 .97 C

ATOM 6055 C ASP P 327 3 .293 1 .410 44 .418 1 .00 39 .70 C

ATOM 6056 O ASP P 327 3 .795 1 .562 43 .304 1 .00 39 .62 O

ATOM 6057 CB ASP P 327 4 .275 1 .419 46 .750 1 .00 40 .04 C

ATOM 6058 CG ASP P 327 5 .088 2 .707 46 .501 1 .00 40 .37 C

ATOM 6059 ODl ASP P 327 5 .446 3 .035 45 .343 1 .00 40 .37 O

ATOM 6060 OD2 ASP P 327 5 .375 3 .399 47 .499 1 .00 39 .76 O

ATOM 6061 N LYS P 328 2 .120 1 .937 44 .764 1 .00 39 .39 N

ATOM 6062 CA LYS P 328 1 .335 2 .753 43 .838 1 .00 39 .38 C

ATOM 6063 C LYS P 328 2 .144 3 .910 43 .226 1 .00 39 .46 C

ATOM 6064 O LYS P 328 2 .169 4 .064 41 .998 1 .00 39 .39 O

ATOM 6065 CB LYS P 328 0. .073 3 .291 44 .524 1 .00 39 .13 C

ATOM 6066 CG LYS P 328 -0. .980 3 .859 43 .569 1 .00 39 .20 C

ATOM 6067 CD LYS P 328 -2. .141 4 .541 44 .298 1, .00 39 .79 C

ATOM 6068 CE LYS P 328 -2, .802 3 .637 45. .364 1. .00 41 .35 C

ATOM 6069 NZ LYS P 328 -3. .905 2 .754 44. .864 1. .00 41 .42 N

ATOM 6070 N ASP P 329 2. ,815 4. .698 44, .073 1. .00 39 .48 N

ATOM 6071 CA ASP P 329 3. .412 5. .971 43. .639 1. .00 39 .54 C

ATOM 6072 C ASP P 329 4. 631 5. .815 42. .735 1. .00 39. .64 C

ATOM 6073 O ASP P 329 4. 810 6. .596 41. .795 1. .00 39. .92 O

ATOM 6074 CB ASP P 329 3. 746 6. , 875 44. 830 1. 00 39. .53 C

ATOM 6075 CG ASP P 329 2. 505 7. 469 45. 491 1. 00 39. .77 C

ATOM 6076 ODl ASP P 329 1. 520 7. 790 44. 779 1. 00 39. .74 O

ATOM 6077 OD2 ASP P 329 2. 525 7. 633 46. 732 1. 00 39. 69 O

ATOM 6078 N LEU P 330 5. 466 4. 816 43. 011 1. 00 39. 40 N

ATOM 6079 CA LEU P 330 6. 632 4. 578 42. 169 1. 00 39. 07 C

ATOM 6080 C LEU P 330 6. 274 3. 841 40. 887 1. 00 38. 91 C

ATOM 6081 O LEU P 330 6. 968 3. 987 39. 882 1. 00 39. 02 O

ATOM 6082 CB LEU P 330 7. 749 3. 853 42. 926 1. 00 38. 94 C

ATOM 6083 CG LEU P 330 8. 614 4. 625 43. 926 1. 00 38. 78 C

ATOM 6084 CDl LEU P 330 9. 956 3. 928 44. 092 1. 00 38. 21 C

ATOM 6085 CD2 LEU P 330 8. 835 6. 074 43. 525 1. 00 39. 02 C

ATOM 6086 N THR P 331 5. 204 3. 048 40. 924 1. 00 38. 72 N

ATOM 6087 CA THR P 331 4. 699 2. 388 39. 718 1. 00 38. 70 C

ATOM 6088 C THR P 331 4. 210 3. 436 38. 719 1. 00 38. 63 C

ATOM 6089 O THR P 331 4. 654 3. 448 37. 574 1. 00 38. 50 O

ATOM 6090 CB THR P 331 3. 574 1. 383 40. 029 1. 00 38. 71 C

ATOM 6091 OGl THR P 331 4. 075 0. 370 40. 902 1. 00 39. 11 O

ATOM 6092 CG2 THR P 331 3. 069 0. 718 38. 760 1. 00 38. 36 C

ATOM 6093 N ILE P 332 3. 322 4. 323 39. 165 1. 00 38. 47 N

ATOM 6094 CA ILE P 332 2. 894 5. 451 38. 340 1. 00 38. 46 C

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ATOM 6095 C ILE P 332 4.126 6.209 37.853 1.00 38.82 C

ATOM 6096 O ILE P 332 4 .232 6 .524 36 .671 1 .00 38 .59 O

ATOM 6097 CB ILE P 332 1 .919 6 .403 39 .095 1 .00 38 .30 C

ATOM 6098 CGl ILE P 332 0 .615 5 .676 39 .435 1 .00 38 .18 C

ATOM 6099 CG2 ILE P 332 1 .600 7 .648 38 .258 1 .00 37 .59 C

ATOM 6100 CDl ILE P 332 -0 .118 6 .220 40 .650 1 .00 37 .85 C

ATOM 6101 N GLY P 333 5 .060 6 .460 38 .772 1 .00 39 .44 N

ATOM 6102 CA GLY P 333 6 .278 7 .215 38 .491 1 .00 40 .21 C

ATOM 6103 C GLY P 333 7 .163 6 .591 37 .433 1 .00 40 .99 C

ATOM 6104 O GLY P 333 7 .661 7 .285 36 .542 1 .00 41 .00 O

ATOM 6105 N GLN P 334 7 .339 5 .275 37 .507 1 .00 41 .60 N

ATOM 6106 CA GLN P 334 8 .248 4 .590 36 .594 1 .00 42 .30 C

ATOM 6107 C GLN P 334 7 .620 4 .336 35 .209 1 .00 42 .43 C

ATOM 6108 O GLN P 334 8 .322 4 .308 34 .186 1 .00 42 .79 O

ATOM 6109 CB GLN P 334 8 .818 3 .331 37 .257 1 .00 42 .27 C

ATOM 6110 CG GLN P 334 8 .134 2 .035 36 .942 1 .00 44 .17 C

ATOM 6111 CD GLN P 334 8 .909 1 .241 35 .911 1 .00 46 .67 C

ATOM 6112 OEl GLN P 334 9 .994 1 .653 35 .481 1 .00 47 .50 O

ATOM 6113 NE2 GLN P 334 8 .363 0 .097 35 .508 1 .00 47 .21 N

ATOM 6114 N MET P 335 6 .300 4 .179 35 .185 1 .00 42 .26 N

ATOM 6115 CA MET P 335 5 .559 3 .993 33 .947 1 .00 42 .12 C

ATOM 6116 C MET P 335 5 .408 5 .320 33 .219 1 .00 42 .10 C

ATOM 6117 O MET P 335 5 .097 5 .351 32 .024 1 .00 42 .13 O

ATOM 6118 CB MET P 335 4 .177 3 .404 34 .234 1 .00 42 .24 C

ATOM 6119 CG MET P 335 4 .209 1 .990 34 .781 1 .00 42 .62 C

ATOM 6120 SD MET P 335 4 .813 0 .800 33 .570 1 .00 43 .90 S

ATOM 6121 CE MET P 335 3 .465 0 .793 32 .387 1 .00 42 .43 C

ATOM 6122 N GLN P 336 5 .607 6 .413 33 .952 1 .00 41 .88 N

ATOM 6123 CA GLN P 336 5 .624 7 .744 33 .359 1 .00 41 .70 C

ATOM 6124 C GLN P 336 7 .050 8 .127 32 .984 1 .00 41 .71 C

ATOM 6125 O GLN P 336 7 .306 9, .248 32. .550 1 .00 41 .79 O

ATOM 6126 CB GLN P 336 5 .007 8. .771 34. .306 1 .00 41 .65 C

ATOM 6127 CG GLN P 336 3. .495 8. .687 34. .360 1. .00 41. .64 C

ATOM 6128 CD GLN P 336 2. .869 9. .556 35. .433 1. .00 41. .92 C

ATOM 6129 OEl GLN P 336 1. .715 9. .950 35. .309 1. .00 42. .46 O

ATOM 6130 NE2 GLN P 336 3. .615 9. 846 36. 494 1. .00 41. .62 N

ATOM 6131 N GLY P 337 7. .971 7. 182 33. 156 1. 00 41. .56 N

ATOM 6132 CA GLY P 337 9. 355 7. 355 32. 742 1. 00 41. 41 C

ATOM 6133 C GLY P 337 10. 095 8. 440 33. 495 1. 00 41. 19 C

ATOM 6134 O GLY P 337 10. 867 9. 194 32. 904 1. 00 41. 30 O

ATOM 6135 N LYS P 338 9. 876 8. 508 34. 803 1. 00 40. 89 N

ATOM 6136 CA LYS P 338 10. 504 9. 541 35. 617 1. 00 40. 67 C

ATOM 6137 C LYS P 338 11. 850 9. 146 36. 231 1. 00 40. 63 C

ATOM 6138 O LYS P 338 12. 631 10. 009 36. 648 1. 00 40. 59 O

ATOM 6139 CB LYS P 338 9. 529 10. 074 36. 660 1. 00 40. 37 C

ATOM 6140 CG LYS P 338 8. 719 11. 220 36. 108 1. 00 40. 91 C

ATOM 6141 CD LYS P 338 7. 818 11. 844 37. 138 1. 00 41. 89 C

ATOM 6142 CE LYS P 338 6. 386 11. 480 36. 878 1. 00 41. 94 C

ATOM 6143 NZ LYS P 338 5. 509 12. 114 37. 888 1. 00 43. 12 N

ATOM 6144 N PHE P 339 12. 127 7. 846 36. 256 1. 00 40. 47 N

ATOM 6145 CA PHE P 339 13. 384 7. 347 36. 780 1. 00 40. 47 C

ATOM 6146 C PHE P 339 13. 744 6. 032 36. 130 1. 00 40. 49 C

ATOM 6147 O PHE P 339 13. 027 5. 566 35. 270 1. 00 40. 38 O

ATOM 6148 CB PHE P 339 13. 348 7. 232 38. 314 1. 00 40. 70 C

ATOM 6149 CG PHE P 339 12. 297 6. 289 38. 849 1. 00 40. 38 C

ATOM 6150 CDl PHE P 339 12. 606 4. 954 39. 103 1. 00 40. 00 C

ATOM 6151 CD2 PHE P 339 11. 017 6. 747 39. 140 1. 00 40. 09 C

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# 10691216 vl

ATOM 6152 CEl PHE P 339 11.650 4.090 39.621 1.00 39.66 C

ATOM 6153 CE2 PHE P 339 10 .054 5 .891 39 .655 1 .00 40 .13 C

ATOM 6154 CZ PHE P 339 10 .374 4 .560 39 .900 1 .00 40 .28 C

ATOM 6155 N GLN P 340 14 .877 5 .458 36 .524 1 .00 41 .18 N

ATOM 6156 CA GLN P 340 15 .351 4 .192 35 .963 1 .00 41 .53 C

ATOM 6157 C GLN P 340 15 .231 3 .075 36 .986 1 .00 42 .07 C

ATOM 6158 O GLN P 340 15 .510 3 .267 38 .171 1 .00 42 .32 O

ATOM 6159 CB GLN P 340 16 .801 4 .305 35 .487 1 .00 41 .46 C

ATOM 6160 CG GLN P 340 17 .223 3 .172 34 .561 1 .00 41 .28 C

ATOM 6161 CD GLN P 340 18 .715 3 .125 34 .285 1 .00 40 .94 C

ATOM 6162 OEl GLN P 340 19 .411 4 .142 34 .331 1 .00 39 .59 O

ATOM 6163 NE2 GLN P 340 19 .212 1 .930 33 .989 1 .00 39 .61 N

ATOM 6164 N MET P 341 14 .804 1 .908 36 .525 1 .00 42 .50 N

ATOM 6165 CA MET P 341 14 .649 0 .769 37 .407 1 .00 43 .06 C

ATOM 6166 C MET P 341 15 .313 -0 .446 36 .788 1 .00 43 .22 C

ATOM 6167 O MET P 341 15 .093 -0 .746 35 .618 1 .00 43 .35 O

ATOM 6168 CB MET P 341 13 .164 0 .507 37 .671 1 .00 42 .83 C

ATOM 6169 CG MET P 341 12 .878 -0 .682 38 .564 1 .00 42 .86 C

ATOM 6170 SD MET P 341 11 .116 -1 .043 38 .653 1 .00 43 .99 S

ATOM 6171 CE MET P 341 10 .828 -1 .851 37 .088 1 .00 44 .47 C

ATOM 6172 N GLN P 342 16 .155 .121 37 .562 1 .00 43 .69 N

ATOM 6173 CA GLN P 342 16 .624 -2 .449 37 .178 1 .00 44 .21 C

ATOM 6174 C GLN P 342 16 .169 -3 .440 38 .229 1 .00 44 .35 C

ATOM 6175 O GLN P 342 16 .174 .145 39 .427 1 .00 44 .22 O

ATOM 6176 CB GLN P 342 18 .146 -2 .517 36 .999 1 .00 44 .32 C

ATOM 6177 CG GLN P 342 18 .756 -1 .493 36 .026 1 .00 45 .44 C

ATOM 6178 CD GLN P 342 18 .233 -1 .614 34 .598 1 .00 46 .93 C

ATOM 6179 OEl GLN P 342 17 .980 -0 .603 33 .929 1 .00 47 .04 O

ATOM 6180 NE2 GLN P 342 18 .065 -2 .850 34 .126 1 .00 46 .90 N

ATOM 6181 N VAL P 343 15. .746 -4 .606 37 .761 1 .00 44 .71 N

ATOM 6182 CA VAL P 343 15. .333 -5. .689 38 .632 1, .00 45. .10 C

ATOM 6183 C VAL P 343 16. .389 -6 .792 38 .553 1. .00 45, .60 C

ATOM 6184 O VAL P 343 16. .854 -7. .148 37. .464 1. .00 45. .57 O

ATOM 6185 CB VAL P 343 13. .935 -6. .207 38. .234 1. .00 44. .91 C

ATOM 6186 CGl VAL P 343 13. .620 -7. .531 38. .901 1. .00 44. .86 C

ATOM 6187 CG2 VAL P 343 12. 871 -5. .171 38. .576 1. 00 45. 20 C

ATOM 6188 N LEU P 344 16. 786 -7. .307 39. .712 1. 00 46. 17 N

ATOM 6189 CA LEU P 344 17. 761 -8. 384 39. 774 1. 00 46. 96 C

ATOM 6190 C LEU P 344 17. 202 -9. 537 40. 608 1. 00 47. 49 C

ATOM 6191 O LEU P 344 17. 545 -9. 684 41. 785 1. 00 47. 77 O

ATOM 6192 CB LEU P 344 19. 088 -7. 871 40. 343 1. 00 47. 03 C

ATOM 6193 CG LEU P 344 19. 771 -6. 702 39. 618 1. 00 47. 44 C

ATOM 6194 CDl LEU P 344 20. 944 -6. 180 40. 425 1. 00 47. 49 C

ATOM 6195 CD2 LEU P 344 20. 219 -7. 094 38. 202 1. 00 48. 53 C

ATOM 6196 N PRO P 345 16. 349 -10. 379 39. 992 1. 00 47. 88 N

ATOM 6197 CA PRO P 345 15. 571 -11. 389 40. 725 1. 00 48. 04 C

ATOM 6198 C PRO P 345 16. 430 -12. 528 41. 285 1. 00 48. 17 C

ATOM 6199 O PRO P 345 15. 934 -13. 371 42. 033 1. 00 48. 25 O

ATOM 6200 CB PRO P 345 14. 600 -11. 911 39. 664 1. 00 48. 12 C

ATOM 6201 CG PRO P 345 15. 342 -11. 739 38. 373 1. 00 48. 22 C

ATOM 6202 CD PRO P 345 16. 108 -10. 449 38. 538 1. 00 47. 93 C

ATOM 6203 N GLN P 346 17. 706 -12. 539 40. 919 1. 00 48. 32 N

ATOM 6204 CA GLN P 346 18. 671 -13. 496 41. 449 1. 00 48. 44 C

ATOM 6205 C GLN P 346 19. 191 -13. 099 42. 837 1. 00 48. 24 C

ATOM 6206 O GLN P 346 19. 990 -13. 817 43. 431 1. 00 48. 56 O

ATOM 6207 CB GLN P 346 19. 827 -13. 702 40. 452 1. 00 48. 62 C

ATOM 6208 CG GLN P 346 19. 923 -12. 632 39. 335 1. 00 49. 59 C

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# 10691216 vl

ATOM 6209 CD GLN P 346 20.912 -11.496 39.629 1.00 50.63 C

ATOM 6210 OEl GLN P 346 21 .646 -11 .522 40 .623 1 .00 50 .90 O

ATOM 6211 NE2 GLN P 346 20 .941 -10 .498 38 .745 1 .00 50 .78 N

ATOM 6212 N CYS P 347 18 .716 -11 .972 43 .358 1 .00 47 .98 N

ATOM 6213 CA CYS P 347 19 .177 -11 .458 44 .649 1 .00 47 .89 C

ATOM 6214 C CYS P 347 18 .144 -11 .565 45 .751 1 .00 47 .29 C

ATOM 6215 O CYS P 347 16 .947 -11 .658 45 .484 1 .00 47 .46 O

ATOM 6216 CB CYS P 347 19 .575 -9 .996 44 .517 1 .00 47 .95 C

ATOM 6217 SG CYS P 347 20 .920 -9 .755 43 .391 1 .00 50 .13 S

ATOM 6218 N GLY P 348 18 .631 -11 .560 46 .990 1 .00 46 .76 N

ATOM 6219 CA GLY P 348 17 .791 -11 .386 48 .173 1 .00 45 .93 C

ATOM 6220 C GLY P 348 17 .690 -9 .897 48 .431 1 .00 45 .42 C

ATOM 6221 O GLY P 348 17 .782 -9 .100 47 .493 1 .00 45 .69 O

ATOM 6222 N HIS P 349 17 .531 -9 .514 49 .695 1 .00 44 .73 N

ATOM 6223 CA HIS P 349 17 .369 -8 .103 50 .059 1 .00 44 .01 C

ATOM 6224 C HIS P 349 18 .645 -7 .262 49 .927 1 .00 43 .64 C

ATOM 6225 O HIS P 349 18 .581 -6 .103 49 .529 1 .00 43 .88 O

ATOM 6226 CB HIS P 349 16 .770 -7 .959 51 .465 1 .00 44 .03 C

ATOM 6227 CG HIS P 349 16 .580 -6 .539 51 .893 1 .00 43 .92 C

ATOM 6228 NDl HIS P 349 15 .680 -5 .692 51 .283 1 .00 44 .13 N

ATOM 6229 CD2 HIS P 349 17 .190 -5 .810 52 .855 1 .00 44 .51 C

ATOM 6230 CEl HIS P 349 15 .742 -4 .502 51 .851 1 .00 44 .34 C

ATOM 6231 NE2 HIS P 349 16 .647 -4 .547 52 .812 1 .00 44 .95 N

ATOM 6232 N ALA P 350 19 .793 -7 .832 50 .267 1 .00 43 .21 N

ATOM 6233 CA ALA P 350 21 .059 -7 .119 50 .144 1 .00 42 .92 C

ATOM 6234 C ALA P 350 21 .648 -7 .314 48 .744 1 .00 42 .80 C

ATOM 6235 O ALA P 350 22 .624 -8 .051 48 .570 1 .00 42 .68 O

ATOM 6236 CB ALA P 350 22 .032 -7 .581 51 .216 1 .00 42 .90 C

ATOM 6237 N VAL P 351 21 .058 -6 .633 47 .759 1 .00 42 .60 N

ATOM 6238 CA VAL P 351 21 .323 -6. .910 46. .339 1 .00 42 .51 C

ATOM 6239 C VAL P 351 22. .752 -6. .553 45. .927 1. .00 42. .66 C

ATOM 6240 O VAL P 351 23. .349 -7. .221 45. ,086 1. .00 42. .61 O

ATOM 6241 CB VAL P 351 20. .213 -6. .311 45. .380 1. .00 42, .59 C

ATOM 6242 CGl VAL P 351 19. .006 -5. .824 46. .181 1. .00 42. .14 C

ATOM 6243 CG2 VAL P 351 20. .735 -5. .210 44. 471 1. .00 41. .56 C

ATOM 6244 N HIS P 352 23. .288 -5. 511 46. 556 1. .00 42. .81 N

ATOM 6245 CA HIS P 352 24. 668 -5. 073 46. 365 1. .00 42. 98 C

ATOM 6246 C HIS P 352 25. 665 -6. 066 46. 959 1. 00 43. 28 C

ATOM 6247 O HIS P 352 26. 806 -6. 151 46. 503 1. 00 43. 49 O

ATOM 6248 CB HIS P 352 24. 872 -3. 693 46. 998 1. 00 42. 89 C

ATOM 6249 CG HIS P 352 24. 536 -3. 643 48. 459 1. 00 42. 66 C

ATOM 6250 NDl HIS P 352 25. 457 -3. 299 49. 424 1. 00 42. 04 N

ATOM 6251 CD2 HIS P 352 23. 383 -3. 909 49. 119 1. 00 42. 08 C

ATOM 6252 CEl HIS P 352 24. 884 -3. 348 50. 613 1. 00 42. 13 C

ATOM 6253 NE2 HIS P 352 23. 627 -3. 718 50. 456 1. 00 42. 00 N

ATOM 6254 N GLU P 353 25. 237 -6. 802 47. 981 1. 00 43. 54 N

ATOM 6255 CA GLU P 353 26. 059 -7. 859 48. 552 1. 00 43. 93 C

ATOM 6256 C GLU P 353 25. 900 -9. 155 47. 772 1. 00 44. 18 C

ATOM 6257 O GLU P 353 26. 848 -9. 924 47. 656 1. 00 44. 32 O

ATOM 6258 CB GLU P 353 25. 721 -8. 101 50. 025 1. 00 44. 03 C

ATOM 6259 CG GLU P 353 26. 188 -7. 009 50. 993 1. 00 44. 46 C

ATOM 6260 CD GLU P 353 26. 565 -7. 562 52. 363 1. 00 44. 90 C

ATOM 6261 OEl GLU P 353 27. 253 -8. 607 52. 405 1. 00 44. 58 O

ATOM 6262 OE2 GLU P 353 26. 186 -6. 951 53. 395 1. 00 45. 41 O

ATOM 6263 N ASP P 354 24. 703 -9. 395 47. 240 1. 00 44. 54 N

ATOM 6264 CA ASP P 354 24. 406 - 10. 647 46. 536 1. 00 44. 92 C

ATOM 6265 C ASP P 354 24. 891 - 10. 658 45. 091 1. 00 45. 07 C

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#10691216 v I

ATOM 6266 O ASP P 354 25.256 -11.708 44.567 1.00 45.03 O

ATOM 6267 CB ASP P 354 22 .909 -10 .962 46 .585 1 .00 44 .90 C

ATOM 6268 CG ASP P 354 22 .391 -11 .105 48 .003 1 .00 45 .81 C

ATOM 6269 ODl ASP P 354 23 .167 -11 .511 48 .890 1 .00 46 .78 O

ATOM 6270 OD2 ASP P 354 21 .204 -10 .805 48 .242 1 .00 47 .22 O

ATOM 6271 N ALA P 355 24 .882 -9 .494 44 .449 1 .00 45 .22 N

ATOM 6272 CA ALA P 355 25 .304 -9 .385 43 .058 1 .00 45 .54 C

ATOM 6273 C ALA P 355 26 .090 -8 .099 42 .843 1 .00 45 .93 C

ATOM 6274 O ALA P 355 25 .619 -7 .193 42 .147 1 .00 45 .80 O

ATOM 6275 CB ALA P 355 24 .104 -9 .444 42 .127 1 .00 45 .45 C

ATOM 6276 N PRO P 356 27 .307 -8 .023 43 .420 1 .00 46 .26 N

ATOM 6277 CA PRO P 356 28 .091 -6 .793 43 .392 1 .00 46 .46 C

ATOM 6278 C PRO P 356 28 .537 -6 .499 41 .970 1 .00 46 .76 C

ATOM 6279 O PRO P 356 28 .631 -5 .337 41 .570 1 .00 46 .81 O

ATOM 6280 CB PRO P 356 29 .302 -7 .130 44 .264 1 .00 46 .46 C

ATOM 6281 CG PRO P 356 28 .938 -8 .381 44 .992 1 .00 46 .27 C

ATOM 6282 CD PRO P 356 28 .035 -9 .112 44 .092 1 .00 46 .16 C

ATOM 6283 N ASP P 357 28 .790 -7 .573 41 .227 1 .00 47 .08 N

ATOM 6284 CA ASP P 357 29 .136 -7 .539 39 .818 1 .00 47 .35 C

ATOM 6285 C ASP P 357 28 .143 -6 .693 39 .023 1 .00 47 .07 C

ATOM 6286 O ASP P 357 28 .520 -5 .712 38 .385 1 .00 47 .02 O

ATOM 6287 CB ASP P 357 29 .143 -8 .977 39 .290 1 .00 47 .71 C

ATOM 6288 CG ASP P 357 30 .077 -9 .168 38 . Ill 1 .00 49 .17 C

ATOM 6289 ODl ASP P 357 30 .175 -8 .240 37 .270 1 .00 50 .29 O

ATOM 6290 OD2 ASP P 357 30 .705 -10 .257 38 .022 1 .00 50 .16 O

ATOM 6291 N LYS P 358 26 .871 -7 .066 39 .096 1 .00 47 .03 N

ATOM 6292 CA LYS P 358 25 .820 -6 .428 38 .303 1 .00 47 .06 C

ATOM 6293 C LYS P 358 25 .326 -5 .081 38 .831 1 .00 46 .57 C

ATOM 6294 O LYS P 358 24 .832 -4 .261 38 .057 1 .00 46 .66 O

ATOM 6295 CB LYS P 358 24 .643 -7 .387 38 .087 1 .00 47 .37 C

ATOM 6296 CG LYS P 358 24 .981 -8. .543 37 .145 1 .00 48 .52 C

ATOM 6297 CD LYS P 358 23 .770 -8 .969 36 .332 1 .00 50 .86 C

ATOM 6298 CE LYS P 358 24 .124 -10. .092 35 .366 1 .00 52 .31 C

ATOM 6299 NZ LYS P 358 25. .157 -9. .682 34 .363 1 .00 53. .75 N

ATOM 6300 N VAL P 359 25. .445 -4. .856 40 .135 1. .00 45. .96 N

ATOM 6301 CA VAL P 359 25. .136 -3. .553 40 .708 1. .00 45. .45 C

ATOM 6302 C VAL P 359 26. ,189 -2. .541 40. .238 1. .00 45. .29 C

ATOM 6303 O VAL P 359 25. .854 -1. .408 39. .880 1. .00 45. .26 O

ATOM 6304 CB VAL P 359 25. .046 -3. 605 42. .256 1. .00 45. .48 C

ATOM 6305 CGl VAL P 359 24. 779 -2. 224 42. .839 1. .00 45. 00 C

ATOM 6306 CG2 VAL P 359 23. 950 -4. 554 42. .686 1. 00 45. 38 C

ATOM 6307 N ALA P 360 27. 454 -2. 962 40. .220 1. 00 44. 91 N

ATOM 6308 CA ALA P 360 28. 536 -2. 129 39. 696 1. 00 44. 51 C

ATOM 6309 C ALA P 360 28. 267 779 38. 240 1. 00 44. 43 C

ATOM 6310 O ALA P 360 28. 373 -0. 618 37. 846 1. 00 44. 40 O

ATOM 6311 CB ALA P 360 29. 863 -2. 838 39. 827 1. 00 44. 37 C

ATOM 6312 N GLU P 361 27. 900 _ 2 796 37. 460 1. 00 44. 32 N

ATOM 6313 CA GLU P 361 27. 589 -2. 657 36. 037 1. 00 44. 08 C

ATOM 6314 C GLU P 361 26. 460 -1. 647 35. 760 1. 00 43. 61 C

ATOM 6315 O GLU P 361 26. 539 -0. 864 34. 804 1. 00 43. 62 O

ATOM 6316 CB GLU P 361 27. 225 -4. 024 35. 451 1. 00 44. 11 C

ATOM 6317 CG GLU P 361 27. 398 -4. 121 33. 946 1. 00 45. 76 C

ATOM 6318 CD GLU P 361 26. 220 -4. 804 33. 265 1. 00 48. 11 C

ATOM 6319 OEl GLU P 361 26. 359 -5. 984 32. 857 1. 00 48. 79 O

ATOM 6320 OE2 GLU P 361 25. 151 -4. 158 33. 146 1. 00 48. 83 O

ATOM 6321 N ALA P 362 25. 419 -1. 671 36. 597 1. 00 42. 94 N

ATOM 6322 CA ALA P 362 24. 247 -0. 809 36. 420 1. 00 42. 15 C

-21 1-

(,' 10691216 vl

ATOM 6323 C ALA, P 362 24.586 0.645 36.711 1.00 41.71 C

ATOM 6324 O ALA P 362 24 .215 1.541 35 .939 1 .00 41 .70 O

ATOM 6325 CB ALA , P 362 23 .100 -1.273 37 .302 1 .00 42 .01 C

ATOM 6326 N VAL P 363 25 .292 0.857 37 .825 1 .00 40 .93 N

ATOM 6327 CA VAL P 363 25 .735 2.182 38 .250 1 .00 40 .13 C

ATOM 6328 C VAL P 363 26 .793 2.706 37 .282 1 .00 39 .72 C

ATOM 6329 O VAL P 363 26 .853 3.903 37 .017 1 .00 39 .54 O

ATOM 6330 CB VAL P 363 26 .296 2.170 39 .697 1 .00 40 .07 C

ATOM 6331 CGl VAL P 363 26 .762 3.565 40 .115 1 .00 40 .27 C

ATOM 6332 CG2 VAL P 363 25 .267 1.665 40 .674 1 .00 39 .26 C

ATOM 6333 N ALA P 364 27 .615 1.802 36 .754 1 .00 39 .40 N

ATOM 6334 CA ALA P 364 28 .644 2.165 35 .774 1 .00 39 .15 C

ATOM 6335 C ALA P 364 28 .006 2.695 34 .499 1 .00 38 .78 C

ATOM 6336 O ALA P 364 28 .325 3.795 34 .051 1 .00 38 .92 O

ATOM 6337 CB ALA P 364 29 .558 0.976 35 .467 1 .00 39 .22 C

ATOM 6338 N THR P 365 27 .092 1.914 33 .933 1 .00 38 .31 N

ATOM 6339 CA THR P 365 26 .336 2.335 32 .760 1 .00 37 .83 C

ATOM 6340 C THR P 365 25 .646 3.673 33 .030 1 .00 37 .47 C

ATOM 6341 O THR P 365 25 .784 4.609 32 .254 1 .00 37 .81 O

ATOM 6342 CB THR P 365 25 .319 1.254 32 .339 1 .00 37 .82 C

ATOM 6343 OGl THR P 365 26 .021 0.038 32 .051 1 .00 37 .41 O

ATOM 6344 CG2 THR P 365 24 .526 1.687 31 .109 1 .00 37 .58 C

ATOM 6345 N PHE P 366 24 .936 3.760 34 .145 1 .00 36 .94 N

ATOM 6346 CA PHE P 366 24 .282 4.995 34 .560 1 .00 36 .61 C

ATOM 6347 C PHE P 366 25 .255 6.177 34 .480 1 .00 36 .71 C

ATOM 6348 O PHE P 366 24 .954 7.194 33 .851 1 .00 36 .83 O

ATOM 6349 CB PHE P 366 23 .725 4.825 35 .984 1 .00 36 .22 C

ATOM 6350 CG PHE P 366 23 .055 6.050 36 .543 1 .00 35. .18 C

ATOM 6351 CDl PHE P 366 21 .689 6.254 36 .360 1. .00 34. .38 C

ATOM 6352 CD2 PHE P 366 23 .781 6.979 37. .286 1. .00 35. ,02 C

ATOM 6353 CEl PHE P 366 21. .055 7.375 36. .882 1. , 00 34. .19 C

ATOM 6354 CE2 PHE P 366 23. .160 8.108 37. .820 1. .00 35. ,05 C

ATOM 6355 CZ PHE P 366 21. .789 8.305 37. .615 1. .00 35. .51 C

ATOM 6356 N LEU P 367 26. .420 6.029 35. .105 1. 00 36. 58 N

ATOM 6357 CA LEU P 367 27. .410 7.099 35. 150 1. 00 36. 67 C

ATOM 6358 C LEU P 367 27. 928 7.497 33. 762 1. 00 36. 95 C

ATOM 6359 O LEU P 367 27. 985 8.690 33. 445 1. 00 36. 96 O

ATOM 6360 CB LEU P 367 28. 577 6.735 36. 084 1. 00 36. 44 C

ATOM 6361 CG LEU P 367 28. 313 6.624 37. 596 1. 00 35. 59 C

ATOM 6362 CDl LEU P 367 29. 457 5.895 38. 278 1. 00 34. 37 C

ATOM 6363 CD2 LEU P 367 28. 054 7.970 38. 267 1. 00 34. 48 C

ATOM 6364 N ILE P 368 28. 294 6.510 32. 940 1. 00 37. 09 N

ATOM 6365 CA ILE P 368 28. 843 6.792 31. 606 1. 00 37. 32 C

ATOM 6366 C ILE P 368 27. 793 7.472 30. 720 1. 00 37. 71 C

ATOM 6367 O ILE P 368 28. 098 8.412 29. 984 1. 00 37. 63 O

ATOM 6368 CB ILE P 368 29. 432 5.523 30. 917 1. 00 37. 31 C

ATOM 6369 CGl ILE P 368 30. 617 4.973 31. 724 1. 00 37. 29 C

ATOM 6370 CG2 ILE P 368 29. 884 5.836 29. 477 1. 00 36. 67 C

ATOM 6371 CDl ILE P 368 30. 998 3.532 31. 394 1. 00 37. 07 C

ATOM 6372 N ARG P 369 26. 556 7.000 30. 833 1. 00 38. 21 N

ATOM 6373 CA ARG P 369 25. 440 7.471 30. 026 1. 00 38. 77 C

ATOM 6374 C ARG P 369 25. 081 8.940 30. 307 1. 00 39. 23 C

ATOM 6375 O ARG P 369 24. 772 9.694 29. 384 1. 00 39. 37 O

ATOM 6376 CB ARG P 369 24. 241 6.552 30. 251 1. 00 38. 67 C

ATOM 6377 CG ARG P 369 23. 193 6.601 29. 176 1. 00 . 39. 39 C

ATOM 6378 CD ARG P 369 22. 017 5.714 29. 523 1. 00 ^■ 40. 02 C

ATOM 6379 NE ARG P 369 20. 785 6.237 28. 945 1. 00 ^■ 41.' 00 N

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« 10691216 v l

ATOM 6380 CZ ARG P 369 19.825 6.851 29.630 1.00 41.39 C

ATOM 6381 NHl ARG P 369 19 .923 7 .010 30 .947 1.00 41 ..08 N

ATOM 6382 NH2 ARG P 369 18 .746 7 .287 28 .991 1.00 41 .84 N

ATOM 6383 N HIS P 370 25 .135 9 .343 31 .574 1.00 39 .78 N

ATOM 6384 CA HIS P 370 24 .939 10 .744 31 .952 1.00 40 .24 C

ATOM 6385 C HIS P 370 26 .251 11 .527 31 .926 1.00 40 .73 C

ATOM 6386 O HIS P 370 26 .285 12 .724 32 .239 1.00 40 .87 O

ATOM 6387 CB HIS P 370 24 .306 10 .838 33 .336 1.00 40 .12 C

ATOM 6388 CG HIS P 370 22 .912 10 .303 33 .399 1.00 40 .08 C

ATOM 6389 NDl HIS P 370 21 .799 11 .112 33 .298 1.00 40 .27 N

ATOM 6390 CD2 HIS P 370 22 .449 9 .040 33 .549 1.00 39 .28 C

ATOM 6391 CEl HIS P 370 20 .710 10 .370 33 .387 1.00 39 .81 C

ATOM 6392 NE2 HIS P 370 21 .077 9 .110 33 .543 1.00 39 .45 N

ATOM 6393 N ARG P 371 27 .329 10 .840 31 .555 1.00 41 .32 N

ATOM 6394 CA ARG P 371 28 .662 11 .443 31 .435 1.00 41 .83 C

ATOM 6395 C ARG P 371 29 .130 12 .054 32 .758 1.00 41 .90 C

ATOM 6396 O ARG P 371 29 .774 13 .101 32 .774 1.00 41 .98 O

ATOM 6397 CB ARG P 371 28 .699 12 .460 30 .288 1.00 41 .84 C

ATOM 6398 CG ARG P 371 28 .343 11 .859 28 .932 1.00 42 .94 C

ATOM 6399 CD ARG P 371 27 .912 12 .938 27 .948 1.00 45 .22 C

ATOM 6400 NE ARG P 371 28 .418 12 .712 26 .591 1.00 46 .59 N

ATOM 6401 CZ ARG P 371 29 .707 12 .767 26 .242 1.00 47 .13 C

ATOM 6402 NHl ARG P 371 30 .648 13 .016 27 .151 1.00 46 .99 N

ATOM 6403 NH2 ARG P 371 30 .062 12 .558 24 .979 1.00 47 .25 N

ATOM 6404 N PHE P 372 28 .783 11 .382 33 .857 1.00 42 .00 N

ATOM 6405 CA PHE P 372 29 .242 11 .747 35 .189 1.00 42 .11 C

ATOM 6406 C PHE P 372 30 .613 11 .142 35 .464 1.00 42 .41 C

ATOM 6407 O PHE P 372 31 .354 11 .633 36 .313 1.00 42 .57 O

ATOM 6408 CB PHE P 372 28 .268 11 .255 36 .260 1.00 42 .12 C

ATOM 6409 CG PHE P 372 26. .918 11 .918 36 .229 1.00 42 .08 C

ATOM 6410 CDl PHE P 372 26. .770 13 .237 35. .806 1.00 41 .78 C

ATOM 6411 CD2 PHE P 372 25. ,790 11. .226 36. .678 1.00 42 .44 C

ATOM 6412 CEl PHE P 372 25. ,514 13. .849 35. .793 1.00 41. .88 C

ATOM 6413 CE2 PHE P 372 24. 525 11. , 830 36. .682 1.00 42. .46 C

ATOM 6414 CZ PHE P 372 24. 388 13. .147 36. 234 1.00 42. .23 C

ATOM 6415 N ALA P 373 30. 939 10. 064 34. 760 1.00 42. .69 N

ATOM 6416 CA ALA P 373 32. 229 9. 404 34. 925 1.00 43. 03 C

ATOM 6417 C ALA P 373 32. 794 8. 944 33. 584 1.00 43. 35 C

ATOM 6418 O ALA P 373 32. 149 9. 086 32. 549 1.00 43. 41 O

ATOM 6419 CB ALA P 373 32. 110 8. 231 35. 892 1.00 42. 92 C

ATOM 6420 N GLU P 374 34. 008 8. 404 33. 621 1.00 43. 85 N

ATOM 6421 CA GLU P 374 34. 682 7. 874 32. 444 1.00 44. 28 C

ATOM 6422 C GLU P 374 34. 946 6. 383 32. 656 1.00 44. 43 C

ATOM 6423 O GLU P 374 35. 264 5. 966 33. 773 1.00 44. 43 O

ATOM 6424 CB GLU P 374 36. 012 8. 604 32. 223 1.00 44. 42 C

ATOM 6425 CG GLU P 374 35. 891 10. 110 32. 045 1.00 45. 23 C

ATOM 6426 CD GLU P 374 35. 670 10. 511 30. 595 1.00 46. 76 C

ATOM 6427 OEl GLU P 374 36. 621 10. 386 29. 795 1.00 46. 57 O

ATOM 6428 OE2 GLU P 374 34. 549 10. 960 30. 258 1.00 47. 55 O

ATOM 6429 N PRO P 375 34. 802 5. 571 31. 593 1.00 44. 63 N

ATOM 6430 CA PRO P 375 35. 146 4. 145 31. 675 1.00 44. 88 C

ATOM 6431 C PRO P 375 36. 662 3. 916 31. 706 1.00 45. 08 C

ATOM 6432 O PRO P 375 37. 422 4. 816 31. 343 1.00 45. 22 O

ATOM 6433 CB PRO P 375 34. 556 3. 573 30. 385 1.00 44. 92 C

ATOM 6434 CG PRO P 375 34. 561 4. 722 29. 433 1.00 44. 85 C

ATOM 6435 CD PRO P 375 34. 285 5. 941 30. 262 1.00 44. 62 C

ATOM 6436 N ILE P 376 37. 091 2. 728 32. 132 1.00 45. 18 N

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ATOM 6437 CA ILE P 376 38.515 2.369 32.144 1.00 45.32 C

ATOM 6438 C ILE P 376 39 .065 2 .207 30 .718 1 .00 45 .44 C

ATOM 6439 O ILE P 376 40 .121 2 .740 30 .372 1 .00 45 .46 O

ATOM 6440 CB ILE P 376 38 .787 1 .087 32 .994 1 .00 45 .35 C

ATOM 6441 CGl ILE P 376 38 .425 1 .315 34 .474 1 .00 45 .33 C

ATOM 6442 CG2 ILE P 376 40 .239 0 .606 32 .839 1 .00 45 .06 C

ATOM 6443 CDl ILE P 376 39 .297 2 .342 35 .224 1 .00 44 .53 C

TER 6444 ILE P 376

HETATM 6445 O HOH A1002 -12 .171 1 .038 13 .804 1 .00 22 .46 O

HETATM 6446 O HOH A1005 -11 .004 _ -J .635 0 .238 1 .00 20 .02 O

HETATM 6447 O HOH A1014 -34 .526 .343 2 .446 1 .00 39 .70 O

HETATM 6448 O HOH A1017 -20 .539 -16 .425 6 .363 1 .00 40 .87 O

HETATM 6449 O HOH A1020 -11 .079 -9 .308 -6 .941 1 .00 55 .56 O

HETATM 6450 O HOH A1026 -26 .379 -26 .452 -4 .636 1 .00 48 .28 O

HETATM 6451 O HOH A1034 -16 .997 -1 .802 -2 .885 1 .00 34 .28 O

HETATM 6452 O HOH A1042 -22 .612 -7 .451 32 .773 1 .00 41 .78 O

HETATM 6453 O HOH A1043 -42 .916 -12 .284 7 .205 1 .00 47 .46 O

HETATM 6454 O HOH A1055 -32 .632 -0 .812 21 .218 1 .00 35 .96 O

HETATM 6455 O HOH A1056 -17 .001 -6 .346 40 .914 1 .00 49 .92 O

HETATM 6456 O HOH ClOOl -9 .495 -6 .807 14 .102 1 .00 22 .50 O

HETATM 6457 O HOH C1006 13 .601 16 .897 25 .354 1 .00 22 .57 O

HETATM 6458 O HOH C1007 19 .407 7 .179 18 .349 1 .00 30 .19 O

HETATM 6459 O HOH C1009 -6 .142 -9 .065 34 .079 1 .00 37 .59 O

HETATM 6460 O HOH ClOlO 11 .256 -6 .011 15 .760 1 .00 26 .05 O

HETATM 6461 O HOH ClOIl 7 .120 -9 .704 31 .696 1 .00 14 .73 O

HETATM 6462 O HOH C1012 -17 .811 -3 .950 15 .370 1 .00 24 .88 O

HETATM 6463 O HOH C1013 2 .458 23 .281 16 .202 1 .00 38 .46 O

HETATM 6464 O HOH C1015 4 .132 -5 .268 40 .109 1. .00 48 .17 O

HETATM 6465 O HOH C1016 6 .139 1 .725 30 .812 1. .00 31, .90 O

HETATM 6466 O HOH C1018 5 .527 0 .081 18 .270 1. .00 29, .50 O

HETATM 6467 O HOH C1021 8 .283 20 .403 24, .294 1. .00 37. .91 O

HETATM 6468 O HOH C1022 -13, .024 3. .287 13. .598 1. ,00 20. , 06 O

HETATM 6469 O HOH C1023 13. .178 -3. .317 25. .126 1. 00 25. 09 O

HETATM 6470 O HOH C1024 1. ,380 -6. ,448 12. ,484 1. 00 32. 63 O

HETATM 6471 O HOH C1025 -6. ,685 -3. .027 9. ,517 1. 00 24. 13 O

HETATM 6472 O HOH C1027 -15. , 939 -9. ,385 23. 020 1. 00 37. 04 O

HETATM 6473 O HOH C1028 13. ,436 -2. 802 34. 192 1. 00 24. 99 O

HETATM 6474 O HOH C1029 _ -^ 193 -4. 904 9. 228 1. 00 41. 36 O

HETATM 6475 O HOH C1030 7. 527 12. 935 29. 586 1. 00 24. 83 O

HETATM 6476 O HOH C1031 19. 798 5. 502 21. 778 1. 00 43. 15 O

HETATM 6477 O HOH C1032 -5. 005 -2. 884 11. 682 1. 00 27. 11 O

HETATM 6478 O HOH C1035 -0. 077 -8. 819 7. 205 1. 00 27. 90 O

HETATM 6479 O HOH C1036 -18. 203 4. 591 18. 733 1. 00 32. 74 O

HETATM 6480 O HOH C1037 18. 472 0. 374 18. 104 1. 00 38. 08 O

HETATM 6481 O HOH C1038 14. 270 1. 543 33. 255 1. 00 41. 09 O

HETATM 6482 O HOH C1040 16. 156 -4. 971 25. 116 1. 00 27. 49 O

HETATM 6483 O HOH C1045 19. 948 -6. 436 19. 143 1. 00 21. 90 O

HETATM 6484 O HOH C1047 5. 376 -10. 277 38. 112 1. 00 34. 03 O

HETATM 6485 O HOH C1048 12. 836 10. 742 15. 126 1. 00 23. 44 O

HETATM 6486 O HOH C1050 11. 031 -2. 164 6. 303 1. 00 28. 60 O

HETATM 6487 O HOH C1051 16. 539 -2. 140 25. 817 1. 00 33. 46 O

HETATM 6488 O HOH C1052 6. Oil 0. 564 4. 142 1. 00 30. 66 O

HETATM 6489 O HOH C1054 -0. 983 -10. 487 33. 712 1. 00 24. 54 O

HETATM 6490 O HOH C1062 -12. 616 -10. 335 19. 878 1. 00 41. 98 O

HETATM 6491 O HOH P1003 24. 585 -21. 013 71. 049 1. 00 47. 54 O

HETATM 6492 O HOH P1004 16. 133 -0. 202 31. 887 1. 00 34. 10 O

HETATM 6493 O HOH P1008 15. 403 10. 863 37. 480 1. 00 17. 57 O

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# 10691216 v l

HETATM 6494 O HOH P1019 0.875 1.417 47.120 1.00 23.67 O

HETATM 6495 O HOH P1033 15.221 -4.700 34.498 1.00 23.71 O

HETATM 6496 O HOH P1039 27.466 2.495 53.931 1.00 38.50 O

HETATM 6497 O HOH P1041 11.675 12.564 38.600 1.00 32.43 O

HETATM 6498 O HOH P1044 32.949 -1.037 59.923 1.00 28.34 O

HETATM 6499 O HOH P1046 16.779 -20.012 53.349 1.00 50.68 O

HETATM 6500 O HOH P1049 6.868 -12.216 60.170 1.00 34.64 O

HETATM 6501 O HOH P1053 7.738 3.825 63.688 1.00 32.73 O

HETATM 6502 O HOH P1057 5.056 8.668 48.508 1.00 43.12 O

HETATM 6503 O HOH P1058 11.587 1.730 69.042 1.00 32.04 O

HETATM 6504 O HOH P1059 29.178 -4.951 48.322 1.00 51.34 O

HETATM 6505 O HOH P1060 24.458 8.600 60.529 1.00 43.50 O

HETATM 6506 O HOH P1061 30.478 -6.543 51.202 1.00 41.07 O

MASTER 413 0 0 47 29 0 0 6 6503 3 0 66

END

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# 10691216 % 1