WO2009092800A1 - Protein structure and method of using protein structure - Google Patents

Protein structure and method of using protein structure Download PDF

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WO2009092800A1
WO2009092800A1 PCT/EP2009/050787 EP2009050787W WO2009092800A1 WO 2009092800 A1 WO2009092800 A1 WO 2009092800A1 EP 2009050787 W EP2009050787 W EP 2009050787W WO 2009092800 A1 WO2009092800 A1 WO 2009092800A1
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atom
leu
arg
phe
val
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PCT/EP2009/050787
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French (fr)
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Hans Hebert
Caroline JEGERSCHÖLD
Per-Johan Jakobsson
Ralf Morgenstern
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Novasaid Ab
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Priority to US12/812,760 priority Critical patent/US20110207113A1/en
Priority to EP09704847A priority patent/EP2245561A1/en
Publication of WO2009092800A1 publication Critical patent/WO2009092800A1/en

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    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12N—MICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA
    • C12N9/00—Enzymes; Proenzymes; Compositions thereof; Processes for preparing, activating, inhibiting, separating or purifying enzymes
    • C12N9/90—Isomerases (5.)
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment

Definitions

  • the present invention relates to a three dimensional structure of microsomal prostaglandin E synthase 1 (MPGES1 ) and methods for building an atomic model of a protein molecule using MPGES1 , and methods for identifying a drug candidate compound that interacts with MPGES1 .
  • MPGES1 microsomal prostaglandin E synthase 1
  • Prostaglandins are bioactive lipids produced from arachidonic acid via the action of cyclooxygenases and terminal PG synthases.
  • Microsomal prostaglandin E synthase 1 constitutes an inducible, glutathione dependent, integral membrane protein that catalyzes the isomerisation of cyclooxygenase derived PGH 2 into PGE 2 .
  • MPGES1 has been implicated in a number of human diseases or pathological conditions such as rheumatoid arthritis, fever and pain and is therefore regarded as a primary target for the development of novel anti-inflammatory drugs.
  • Microsomal prostaglandin E synthase 1 is the key enzyme in pathology related production of prostaglandin (PG) E 2 from cyclooxygenase (Cox) derived PGH 2 (P. J. Jakobsson, S. Thoren, R. Morgenstern, B. Samuelsson, Proc. Natl. Acad. Sci. U.S.A. 96, 7220 (1999)).
  • the protein is a member of the MAPEG protein family including 5-lipoxygenase activating protein (FLAP), leukotriene C 4 synthase (LTC4S), microsomal glutathione transferase (MGST)I , MGST2 and MGST3 (P. J.
  • MPGES1 is the most efficient PGES known and catalyzes the oxidoreduction of prostaglandin endoperoxide H 2 into PGE 2 with an apparent kcat/Km of 310 mM " V 1 .
  • the enzyme equally well catalyses the oxidoreduction of endocannabinoids into prostaglandin glycerol esters (K.R. Kozak et ai, J Biol Chem.
  • the inventors have solved the three-dimensional structure of the microsomal prostaglandin E synthase 1 (MPGES1 ). This will aid research aimed at identifying novel compounds able to modulate the activity of MPGES1 . Due to the role of MPGES1 in inflammation and detoxification, such compounds could be used in treating inflammatory diseases, rheumathoid arthritis, fever and pain. Accordingly, the present invention provides methods for building an atomic model of a protein molecule.
  • the methods comprise: (a) identifying a protein molecule with at least 20 %, and more specifically at least 30 %, sequence identity with microsomal prostaglandin E synthase 1 (MPGES1 ) and (b) utilizing the atomic coordinates of MPGES1 to obtain an atomic model of the identified protein molecule.
  • MPGES1 microsomal prostaglandin E synthase 1
  • the present invention also provides a method for determining a drug candidate compound that interacts with microsomal prostaglandin E synthase 1 (MPGES1 ), said method comprising: (a) identifying a drug candidate compound that interacts with MPGES1 and (b) analyzing the interaction of the drug candidate compound with MPGES1 or related proteins.
  • MPGES1 microsomal prostaglandin E synthase 1
  • Fig 6 View along the plane of the membrane showing the arrangement of the tilted trimers. Arginines at positions 150 and 40 from two trimers in opposite orientations form contacts stabilizing the structure along the a-axis of the crystal.
  • Fig. 8 Sequence alignment of the six human MAPEG members based on the known structures. The positions of the four helices in MPGES1 are indicated. Every ten residue is underlined in each protein. conserveed residues are colored in light gray.
  • the viewing angle is the same as in Figs. 3A, B with the cytosolic side up.
  • the horizontal bars indicate the position of the interface between the phospholipids headgroups and non-polar part of the membrane. Dark grey represents positively och negatively charged and white non-polar surface.
  • MPGES1 Metal Prostaglandin E Synthase 1
  • MPGES1 The structure of MPGES1 is an attractive target for developing drugs that could stabilise the closed form and thereby efficiently inhibit catalysis.
  • the data indicate that LTC4S could also exist in a closed conformation that was not experimentally accessible as the detergent used in crystallisation behaved as a substrate analogue (22, 23).
  • the model according to the present invention may thus be useful in efficient LTC4S inhibitor development as well.
  • the position of the hydrophobic substrate in LTC4S and the similar location of GSH in MPGES1/LTC4S indicate that PGH2 binds to the cleft between TM 1 and TM4.
  • a tentative binding mode has been modelled using the molecular ruler concept that places the omega-end of PGH 2 towards the middle of the bilayer, lets the endoperoxide reside in reasonable proximity to GSH and allows the carboxylate to reside in the hydrophilic protein water interface (Fig. 3C).
  • This tentative model suggests reasonable hydrogen bonding and polar interactions allowing the hydrocarbon part to be bound along the cleft without steric clashes, although this should preferably be confirmed by the crystal structure of MPGES1 with a ligand.
  • a method for building an atomic model of a protein molecule comprising: (a) identifying a protein molecule with at least 20% sequence identity with Microsomal Prostaglandin E Synthase 1 (MPGES1 ) and (b) utilizing the atomic coordinates of MPGES1 to obtain an atomic model of the identified protein molecule.
  • MPGES1 Microsomal Prostaglandin E Synthase 1
  • the protein molecule is a Membrane Associated Protein in Eicosanoid and Glutathione Metabolism (MAPEG) protein molecule.
  • MAPEG Membrane Associated Protein in Eicosanoid and Glutathione Metabolism
  • the atomic model may comprise a homology model, wherein the homology model may be obtained by a modelling software program.
  • the atomic model may comprise an experimental model, wherein the experimental model is obtained by molecular replacement.
  • said method may further comprise (c) identifying a drug candidate compound that interacts with the identified protein molecule, wherein the atomic structure of the identified protein molecule is used to identify a drug candidate compound.
  • said method further comprises (d) analyzing the interaction of the drug candidate compound with the identified protein molecule.
  • said method further comprises the analysis of the interaction of the drug candidate compound with the active site of the identified protein molecule by way of a docking-program.
  • the detailed interaction of the drug candidate compound with the identified protein molecule may be obtained using molecular replacement.
  • the method further comprises(c) identifying a drug candidate compound that interacts with the identified protein molecule by (1 ) contacting the drug candidate compound with the identified protein molecule and (2) measuring for a change in the expression or activity of the identified protein molecule.
  • the invention provides a method wherein a drug candidate compound that decreases the expression or activity of the identified protein molecule indicates that the drug candidate compound is an inhibitor of the identified protein molecule.
  • a drug candidate compound that increases the expression or activity of the identified protein molecule indicates that the drug candidate compound is a promoter of the identified protein molecule.
  • the invention also provides a method according to the above, wherein at least one catalytic position of the identified protein molecule is mutated prior to identifying a drug candidate compound that interacts with the identified protein molecule.
  • the invention also provides a method wherein the mutation comprises a substitution or deletion of at least one amino acid.
  • the invention also provides a method for determining a drug candidate compound that interacts with Microsomal Prostaglandin E Synthase 1 (MPGES1 ), said method comprising: (a) identifying a drug candidate compound that interacts with MPGES1 and (b) analyzing the interaction of the drug candidate compound with MPGES1 .
  • MPGES1 Microsomal Prostaglandin E Synthase 1
  • the invention also provides a method according to the preceding paragraph, wherein the interaction of the drug candidate compound with the active site of the MPGES1 is analyzed with a docking-program.
  • the invention also provides a method according to the preceding paragraph, wherein the structure of the interaction of the drug candidate compound with MPGES1 is obtained using molecular replacement.
  • the invention also provides a method according to the preceding paragraph, wherein the drug candidate compound is identified by using the atomic structure of MPGES1 to design a drug candidate compound.
  • the invention also provides a method according to the preceding paragraph, wherein the drug candidate compound is identified by (a) contacting the drug candidate compound with MPGES1 ; and (b) measuring for a change in the expression or activity of the protein molecule.
  • the invention also provides a method according to the preceding paragraph, wherein a drug candidate compound that decreases the expression or activity of MPGES1 indicates that the drug candidate compound is an inhibitor of MPGES1 .
  • the invention also provides a method according to the preceding paragraph, wherein a drug candidate compound that increases the expression or activity of MPGES1 indicates that the drug candidate compound is a promoter of MPGES1 .
  • the invention also provides a method according to the preceding paragraph, wherein at least one catalytic position of MPGES1 is mutated prior to identifying a drug candidate compound that interacts with MPGES1 .
  • the invention also provides a method according to the preceding paragraph, wherein the mutation comprises a substitution of at least one amino acid.
  • the invention also provides a method according to the preceding paragraph, wherein the mutation comprise a deletion of at least one amino acid.
  • a drug candidate compound interacts with a protein molecule.
  • a drug candidate compound that decreases the expression or activity of the protein molecule indicates that the compound is an inhibitor of the protein molecule.
  • a compound that increases the expression or activity of the protein molecule indicates that the compound is a promoter of the protein molecule.
  • One skilled in the art will appreciate the various methods for contacting the drug candidate compound with a protein molecule, any of which may be employed herein.
  • One skilled in the art will also appreciate the various methods for measuring a change in the expression or activity of the protein, any of which may be employed herein.
  • the interaction of the drug candidate compound with the identified protein molecule may be analyzed.
  • the interaction of the drug candidate compound with the active site of the identified protein molecule is analyzed with a docking-program.
  • the structure of the interaction of the candidate compound with the protein molecule may be obtained using molecular replacement.
  • At least one catalytic position of the protein molecule may be mutated prior to contacting the drug candidate compound with the protein molecule.
  • the mutation comprises a substitution of at least one amino acid.
  • the mutation comprises a deletion of at least one amino acid.
  • Microsomal prostaglandin E synthase 1 (MPGES1 ) containing a His ⁇ -tag at the N-terminus was overexpressed in E. coli and purified as published earlier (Thoren et al., J. Biol. Chem. 278, 22199 (2003)).
  • the plasmid pSP19T7LT containing wild-type MPGES1 with an N-terminal Hise-tag (Thoren et al., J. Biol. Chem. 278, 22199 (2003)) was subjected to site-directed mutagenesis using GeneTailorTM Site-Directed Mutagenesis System (Invitrogen) and specific mutation primers.
  • the following sequence (SEQ ID NO:1 ) was used for subsequent experiments (N-term to C-term):
  • HHHHHHMPAH SLVMSSPALP AFLLCSTLLV IKMYWAIIT GQVRLRKKAF ANPEDALRHG GPQYCRSDPD VERCLRAHRN DMETIYPFLF LGFVYSFLGP NPFVAWMHFL VFLVGRVAHT VAYLGKLRAP IRSVTYTLAQ LPCASMALQI LWEAARHL
  • Mutant protein was expressed in BL21 StarTM (DE) E. coli cells growing at 37°C in terrific broth. Subsequently, we isolated the membrane fractions by differential centrifugation and quantified the amount of mutant MPGES1 by comparing the signals with known amounts of purified MPGES1 in Western Blot analysis. For activity measurements, we used accordingly 400 ng mutant or wild type MPGES1 in the assay described in (S. Thoren, P. J. Jakobsson, Eur. J. Biochem. 267, 6428 (2000)).
  • the protein at a concentration of 1 mg/ml was solubilized with 1 % Triton X-100 in a buffer containing 10-50 mM NaP 1 , 50 mM NaCI, 20% glycerol, 1 mM GSH, and 0.1 % EDTA.
  • the crystals of MPGES1 were grown in the presence of GSH.
  • MPGES1 having a His ⁇ -tag at the N-terminus and in a buffer containing 1 % Triton X- 100, 100 mM NaP 1 , 50 mM NaCI, 10% glycerol, 1 mM GSH, and 0.1 % EDTA was mixed with bovine liver lecithin solubilized in 1 % Triton X-100.
  • the protein concentration was typically 0.5 mg/ml, the total volume 100 ⁇ l and the molar lipid-to-protein ratio was 9.
  • the mixture was placed in dialysis tubes with a molecular weight cut off pore size of 12-14 kD and closed at both ends.
  • the tubes were put in 1000 ml containers filled with the same buffer as above but without Triton X-100 and with 20 % glycerol.
  • the dialysis was left for one to two weeks at room temperature. 2 ⁇ l aliquots of the crystalline suspension were put on carbon coated electron microscope grids and stabilized with 7 % trehalose prior to freezing in liquid nitrogen.
  • the quality of the reconstituted crystals are evaluated by electron microscopy of negatively stained specimens. Excellent crystal preparations are selected for cryo-electron microscopy.
  • Grids were prepared with the inverted technique (T. Hirai, K. Murata, K. Mitsuoka, Y, Kimura, Y. Fujiyoshi, J. Electron Microsc. 48, 653 (1999)) using conventional 400 mesh grids, thin carbon layers, typically 7% trehalose and 2 ⁇ l of the crystallization suspension. Grids were placed in liquid nitrogen cooled Gatan 626 or 914 cryo holders before insertion into a JEOL 2100F electron microscope equipped with a TemCam-F415 4k*4k CCD camera (Tietz Video and Image Processing Systems GmbH). Electron diffraction patterns were recorded. For tilted diffraction patterns pairwise acquisitions were always made in such a way that the first tilted recording was followed by a 0° pattern which was used entirely for classification and quality assessment.
  • ATOM 182 CA GLY A 35 79 739 -41 859 18 168 1 00 3 02 C
  • ATOM 404 CA PRO A 63 90 042 -35 592 24 790 1 00 3 02
  • ATOM 504 N ASP A 75 83 859 -31 371 10 014 1 00 02 N
  • ATOM 602 CA GLY A 86 79 351 -25 678 -5 659 1 00 3 02
  • ATOM 710 CA TRP A 100 87 .661 -31 .691 -9 .359 1 .00 3 .02

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Abstract

Methods for building an atomic model of a protein molecule comprising: (a) identifying a protein molecule with at least 20% sequence identity with Microsomal Prostaglandin E Synthase 1 (MPGES1) and (b) utilizing the atomic coordinates of MPGES1 to obtain an atomic model of the identified protein molecule and methods for determining a drug candidate compound that interacts with members of the MAPEG family, in particular MPGES1, are also provided.

Description

Protein structure and method of using protein structure
FIELD OF THE INVENTION
The present invention relates to a three dimensional structure of microsomal prostaglandin E synthase 1 (MPGES1 ) and methods for building an atomic model of a protein molecule using MPGES1 , and methods for identifying a drug candidate compound that interacts with MPGES1 .
Prostaglandins (PG) are bioactive lipids produced from arachidonic acid via the action of cyclooxygenases and terminal PG synthases. Microsomal prostaglandin E synthase 1 (MPGES1 ) constitutes an inducible, glutathione dependent, integral membrane protein that catalyzes the isomerisation of cyclooxygenase derived PGH2 into PGE2. MPGES1 has been implicated in a number of human diseases or pathological conditions such as rheumatoid arthritis, fever and pain and is therefore regarded as a primary target for the development of novel anti-inflammatory drugs.
Microsomal prostaglandin E synthase 1 (MPGES1 ) is the key enzyme in pathology related production of prostaglandin (PG) E2 from cyclooxygenase (Cox) derived PGH2 (P. J. Jakobsson, S. Thoren, R. Morgenstern, B. Samuelsson, Proc. Natl. Acad. Sci. U.S.A. 96, 7220 (1999)). The protein is a member of the MAPEG protein family including 5-lipoxygenase activating protein (FLAP), leukotriene C4 synthase (LTC4S), microsomal glutathione transferase (MGST)I , MGST2 and MGST3 (P. J. Jakobsson, R. Morgenstern, J. Mancini, A. Ford-Hutchinson, B. Persson, Prot. Sci. 8, 689 (1999), and A. Bresell et al., FEBS J. 272, 1688 (2005)). MPGES1 is the most efficient PGES known and catalyzes the oxidoreduction of prostaglandin endoperoxide H2 into PGE2 with an apparent kcat/Km of 310 mM"V1. The enzyme equally well catalyses the oxidoreduction of endocannabinoids into prostaglandin glycerol esters (K.R. Kozak et ai, J Biol Chem. 277, 4487 (2002)) and PGG2 into 15- hydroperoxy-PGE2 (S. Thoren et al., J. Biol. Chem. 278, 22199 (2003)). In addition, the enzyme confers low glutathione transferase and glutathione dependent peroxidase activities (S. Thoren et ai, J. Biol. Chem. 278, 22199 (2003)). SUMMARY OF THE INVENTION
The inventors have solved the three-dimensional structure of the microsomal prostaglandin E synthase 1 (MPGES1 ). This will aid research aimed at identifying novel compounds able to modulate the activity of MPGES1 . Due to the role of MPGES1 in inflammation and detoxification, such compounds could be used in treating inflammatory diseases, rheumathoid arthritis, fever and pain. Accordingly, the present invention provides methods for building an atomic model of a protein molecule. The methods comprise: (a) identifying a protein molecule with at least 20 %, and more specifically at least 30 %, sequence identity with microsomal prostaglandin E synthase 1 (MPGES1 ) and (b) utilizing the atomic coordinates of MPGES1 to obtain an atomic model of the identified protein molecule.
The present invention also provides a method for determining a drug candidate compound that interacts with microsomal prostaglandin E synthase 1 (MPGES1 ), said method comprising: (a) identifying a drug candidate compound that interacts with MPGES1 and (b) analyzing the interaction of the drug candidate compound with MPGES1 or related proteins.
BRIEF DESCRIPTION OF THE FIGURES
The following description may be more fully understood in view of the drawings, in which:
Fig. 1
Overall structure of MPGES1 . The trimer subunits are shown in ribbon representation. The upper figure is a top view from the face corresponding to the cytoplasm when the protein is positioned in its natural membrane environment. In the side view, with the cytoplasmic side up (cytosol), the transmembrane helices of one subunit have been labelled at their C-terminal ends (TM1 , TM2, TM3 and TM4). Fig. 2
Binding of GSH. (A) Top view of the MPGES1 trimer from the cytoplasmic side with the omit map contoured at 2.5 σ showing the positions of GSH molecules. (B) The U-shaped GSH molecule in ball and stick representation with the omit map density as seen from the side at the interface between transmembrane helices 1 and 4 from two different subunits. (C) Side chains involved in formation of the binding pocket for GSH.
Fig. 3
Conformational change allowing PGH2 access and schematic chemical mechanism for MPGES1 . (A) Left: Surface representation of the MPGES1 trimer structure as determined from the 2-D crystals showing a closed conformation. The three subunits are coloured in dark grey, grey and light grey respectively. Right: Open conformation based on homology modelling from the structure of LTC4S (protein data bank identificator (pdb id) 2UUH, www.pdb.org) exposes the GSH molecules. Inset: Enlargement of the cleft between subunits where PGH2 is expected to bind. GSH is shown in light grey and the PGH2 molecule fitted according to the molecular ruler concept. The surface rendering shows electrostatic potential of the open homology model. Dark grey represents positively or negatively charged and light grey non-polar surface. (B) Left: The largest difference between the closed and open conformation is a bending of the cytoplasmic half of TM1 about a hinge fixed by the Lys26/Asp75 salt bridge (arrow). Middle: The closed conformation with Ser127, Tyr130, Thr131 and GIn 134 onTM4 pointing towards residues He32, Gln34 and Leu39 in TM1 in the next subunit. Pointing inwards binding to the GSH are Arg126 from TM4 and Tyr28 form TM1 . Right: The open conformation model with the same residues and GSH shown. (C) Suggested chemical mechanism for the MPGES1 catalysed PGE2 synthesis involves an attack of the GSH thiolate on the 0(9) of the endoperoxide bridge followed by proton donation to 0(1 1 ) via Arg126. Arg126 then abstracts a proton from C(9) where a carbonyl forms as the oxygen sulfur bond is broken. The leaving GSH thiolate is stabilised by Arg126. Reaction scheme for the formation of PGE2 catalysed by cyclooxygenase and mpgesi .
Fig. 5
Packing arrangement in the 2-D crystals of MPGES1 . (A) Top view of the electron diffraction potential map from the lumenal side of the membrane with four trimeric protein model backbones depicted within the p22i2i two-sided plane group unit cell. The polar interaction of Arg150 and the backbone carboxyl of AIa1 12 from a neighbouring trimer (indicated with a star) is forming a tight connection along the b-axis.
Fig 6 View along the plane of the membrane showing the arrangement of the tilted trimers. Arginines at positions 150 and 40 from two trimers in opposite orientations form contacts stabilizing the structure along the a-axis of the crystal.
Fig. 7
2Fo-Fc map contoured at 1 .2A as seen from the side at the interface between two su bun its.
Fig. 8 Sequence alignment of the six human MAPEG members based on the known structures. The positions of the four helices in MPGES1 are indicated. Every ten residue is underlined in each protein. Conserved residues are colored in light gray.
Fig. 9
Electronstatic potentials of (A) MPGES1 and (B) LTC4S (pdb id 2UUH). The viewing angle is the same as in Figs. 3A, B with the cytosolic side up. The horizontal bars indicate the position of the interface between the phospholipids headgroups and non-polar part of the membrane. Dark grey represents positively och negatively charged and white non-polar surface. Fig. 10
Intra- and intersubunit interactions in MPGES1 . (A) Stabilization of the cytoplasmic face of transmembrane helices 2 and 3. (B) Interactions between the same helices close to the GSH binding site. (C) Stabilization of the trimer through the His72 - Glu77 ion pair.
DETAILED DESCRIPTION OF THE INVENTION
The atomic structure of a key enzyme of the MAPEG superfamily, MPGES1 (Microsomal Prostaglandin E Synthase 1 ), provides a tool which enables the determination of the specificity and function of MPGES1 and related proteins which are potential targets for treatment of common diseases such as rheumatoid arthritis and asthma.
The structure of MPGES1 is an attractive target for developing drugs that could stabilise the closed form and thereby efficiently inhibit catalysis. In addition, the data indicate that LTC4S could also exist in a closed conformation that was not experimentally accessible as the detergent used in crystallisation behaved as a substrate analogue (22, 23). The model according to the present invention may thus be useful in efficient LTC4S inhibitor development as well. The position of the hydrophobic substrate in LTC4S and the similar location of GSH in MPGES1/LTC4S indicate that PGH2 binds to the cleft between TM 1 and TM4. A tentative binding mode has been modelled using the molecular ruler concept that places the omega-end of PGH2 towards the middle of the bilayer, lets the endoperoxide reside in reasonable proximity to GSH and allows the carboxylate to reside in the hydrophilic protein water interface (Fig. 3C). This tentative model suggests reasonable hydrogen bonding and polar interactions allowing the hydrocarbon part to be bound along the cleft without steric clashes, although this should preferably be confirmed by the crystal structure of MPGES1 with a ligand. A method for building an atomic model of a protein molecule comprising: (a) identifying a protein molecule with at least 20% sequence identity with Microsomal Prostaglandin E Synthase 1 (MPGES1 ) and (b) utilizing the atomic coordinates of MPGES1 to obtain an atomic model of the identified protein molecule.
In one embodiment, the protein molecule is a Membrane Associated Protein in Eicosanoid and Glutathione Metabolism (MAPEG) protein molecule.
The atomic model may comprise a homology model, wherein the homology model may be obtained by a modelling software program.
The atomic model may comprise an experimental model, wherein the experimental model is obtained by molecular replacement.
In one embodiment, said method may further comprise (c) identifying a drug candidate compound that interacts with the identified protein molecule, wherein the atomic structure of the identified protein molecule is used to identify a drug candidate compound.
In a further embodiment, said method further comprises (d) analyzing the interaction of the drug candidate compound with the identified protein molecule.
In a further embodiment, said method further comprises the analysis of the interaction of the drug candidate compound with the active site of the identified protein molecule by way of a docking-program.
The detailed interaction of the drug candidate compound with the identified protein molecule may be obtained using molecular replacement.
In yet another embodiment, the method further comprises(c) identifying a drug candidate compound that interacts with the identified protein molecule by (1 ) contacting the drug candidate compound with the identified protein molecule and (2) measuring for a change in the expression or activity of the identified protein molecule. In yet another embodiment, the invention provides a method wherein a drug candidate compound that decreases the expression or activity of the identified protein molecule indicates that the drug candidate compound is an inhibitor of the identified protein molecule. A drug candidate compound that increases the expression or activity of the identified protein molecule indicates that the drug candidate compound is a promoter of the identified protein molecule.
The invention also provides a method according to the above, wherein at least one catalytic position of the identified protein molecule is mutated prior to identifying a drug candidate compound that interacts with the identified protein molecule.
The invention also provides a method wherein the mutation comprises a substitution or deletion of at least one amino acid.
The invention also provides a method for determining a drug candidate compound that interacts with Microsomal Prostaglandin E Synthase 1 (MPGES1 ), said method comprising: (a) identifying a drug candidate compound that interacts with MPGES1 and (b) analyzing the interaction of the drug candidate compound with MPGES1 .
The invention also provides a method according to the preceding paragraph, wherein the interaction of the drug candidate compound with the active site of the MPGES1 is analyzed with a docking-program.
The invention also provides a method according to the preceding paragraph, wherein the structure of the interaction of the drug candidate compound with MPGES1 is obtained using molecular replacement.
The invention also provides a method according to the preceding paragraph, wherein the drug candidate compound is identified by using the atomic structure of MPGES1 to design a drug candidate compound.
The invention also provides a method according to the preceding paragraph, wherein the drug candidate compound is identified by (a) contacting the drug candidate compound with MPGES1 ; and (b) measuring for a change in the expression or activity of the protein molecule.
The invention also provides a method according to the preceding paragraph, wherein a drug candidate compound that decreases the expression or activity of MPGES1 indicates that the drug candidate compound is an inhibitor of MPGES1 .
The invention also provides a method according to the preceding paragraph, wherein a drug candidate compound that increases the expression or activity of MPGES1 indicates that the drug candidate compound is a promoter of MPGES1 .
The invention also provides a method according to the preceding paragraph, wherein at least one catalytic position of MPGES1 is mutated prior to identifying a drug candidate compound that interacts with MPGES1 .
The invention also provides a method according to the preceding paragraph, wherein the mutation comprises a substitution of at least one amino acid.
The invention also provides a method according to the preceding paragraph, wherein the mutation comprise a deletion of at least one amino acid.
The skilled person will appreciate the various means in which a drug candidate compound interacts with a protein molecule. In one embodiment, a drug candidate compound that decreases the expression or activity of the protein molecule indicates that the compound is an inhibitor of the protein molecule. In another embodiment, a compound that increases the expression or activity of the protein molecule indicates that the compound is a promoter of the protein molecule. One skilled in the art will appreciate the various methods for contacting the drug candidate compound with a protein molecule, any of which may be employed herein. One skilled in the art will also appreciate the various methods for measuring a change in the expression or activity of the protein, any of which may be employed herein. The interaction of the drug candidate compound with the identified protein molecule may be analyzed. In one embodiment, the interaction of the drug candidate compound with the active site of the identified protein molecule is analyzed with a docking-program. In addition, the structure of the interaction of the candidate compound with the protein molecule may be obtained using molecular replacement.
Furthermore, the skilled person will appreciate that in order to comprehensively determine a suitable drug candidate compound that interacts with the protein molecule at least one catalytic position of the protein molecule may be mutated prior to contacting the drug candidate compound with the protein molecule. In one embodiment, the mutation comprises a substitution of at least one amino acid. In another embodiment, the mutation comprises a deletion of at least one amino acid.
EXAMPLES Example 1
Specimen preparation. Microsomal prostaglandin E synthase 1 (MPGES1 ) containing a Hisβ-tag at the N-terminus was overexpressed in E. coli and purified as published earlier (Thoren et al., J. Biol. Chem. 278, 22199 (2003)). The plasmid pSP19T7LT containing wild-type MPGES1 with an N-terminal Hise-tag (Thoren et al., J. Biol. Chem. 278, 22199 (2003)) was subjected to site-directed mutagenesis using GeneTailor™ Site-Directed Mutagenesis System (Invitrogen) and specific mutation primers. The following sequence (SEQ ID NO:1 ) was used for subsequent experiments (N-term to C-term):
HHHHHHMPAH SLVMSSPALP AFLLCSTLLV IKMYWAIIT GQVRLRKKAF ANPEDALRHG GPQYCRSDPD VERCLRAHRN DMETIYPFLF LGFVYSFLGP NPFVAWMHFL VFLVGRVAHT VAYLGKLRAP IRSVTYTLAQ LPCASMALQI LWEAARHL
Mutant protein was expressed in BL21 Star™ (DE) E. coli cells growing at 37°C in terrific broth. Subsequently, we isolated the membrane fractions by differential centrifugation and quantified the amount of mutant MPGES1 by comparing the signals with known amounts of purified MPGES1 in Western Blot analysis. For activity measurements, we used accordingly 400 ng mutant or wild type MPGES1 in the assay described in (S. Thoren, P. J. Jakobsson, Eur. J. Biochem. 267, 6428 (2000)).
In the final preparation the protein at a concentration of 1 mg/ml was solubilized with 1 % Triton X-100 in a buffer containing 10-50 mM NaP1, 50 mM NaCI, 20% glycerol, 1 mM GSH, and 0.1 % EDTA. The crystals of MPGES1 were grown in the presence of GSH. MPGES1 having a Hisβ-tag at the N-terminus and in a buffer containing 1 % Triton X- 100, 100 mM NaP1, 50 mM NaCI, 10% glycerol, 1 mM GSH, and 0.1 % EDTA was mixed with bovine liver lecithin solubilized in 1 % Triton X-100. The protein concentration was typically 0.5 mg/ml, the total volume 100 μl and the molar lipid-to-protein ratio was 9. The mixture was placed in dialysis tubes with a molecular weight cut off pore size of 12-14 kD and closed at both ends. The tubes were put in 1000 ml containers filled with the same buffer as above but without Triton X-100 and with 20 % glycerol. The dialysis was left for one to two weeks at room temperature. 2 μl aliquots of the crystalline suspension were put on carbon coated electron microscope grids and stabilized with 7 % trehalose prior to freezing in liquid nitrogen.
The quality of the reconstituted crystals are evaluated by electron microscopy of negatively stained specimens. Excellent crystal preparations are selected for cryo-electron microscopy.
Example 2 Data collection.
For electron microscopy, grids were prepared with the inverted technique (T. Hirai, K. Murata, K. Mitsuoka, Y, Kimura, Y. Fujiyoshi, J. Electron Microsc. 48, 653 (1999)) using conventional 400 mesh grids, thin carbon layers, typically 7% trehalose and 2 μl of the crystallization suspension. Grids were placed in liquid nitrogen cooled Gatan 626 or 914 cryo holders before insertion into a JEOL 2100F electron microscope equipped with a TemCam-F415 4k*4k CCD camera (Tietz Video and Image Processing Systems GmbH). Electron diffraction patterns were recorded. For tilted diffraction patterns pairwise acquisitions were always made in such a way that the first tilted recording was followed by a 0° pattern which was used entirely for classification and quality assessment.
Example 3
Background corrected amplitudes were extracted using the MRC software (R. A. Crowther, R. Henderson, J. M. Smith, J. Struct. Biol. 116, 9 (1996)). A total number of 100 diffraction patterns constituting a homogenous set as judged initially by the untilted recordings were subjected to merging using DIFFMERG and subsequently LATLINE was used for lattice line fitting. Tilt-angles and CTFs accurately determined during the first processing round are used for reprocessing all good images in a second round of unbending using the MAKETRAN program procedure. Final image amplitudes and phase values are extracted following tilted CTF and beam tilt correction. Diffraction amplitudes collected on the three different CCD cameras are processed using the MRC electron diffraction software. Image phases and electron diffraction amplitudes are merged using the LATLINE program from the MRC suite.
Example 4
The trimeric model of microsomal glutathione transferase 1 (MGST1 ) (P. J. Holm et al., J. MoI. Biol. 360, 934 (2006)) was used for a molecular replacement search since the sequence identity is high (approx 40 %) and previous studies have shown that MPGES1 also forms a trimer in 2-D crystals (S. Thoren et al., J. Biol. Chem. 278, 22199 (2003)). One of the top score solutions from AMoRe (J. Navaza, Acta Crystallogr. A 50, 157 (1994)) was unique since it did not present severe clashes between trimers and it fitted a low resolution projection map. Model building in O (T. A. Jones, J. Y. Zou, S. W. Cowan, M. Kjeldgaard, Acta Crystallogr. A 47, 110 (1991 )) started from a polyalanine model of the protein at the determined position and orientation. Numerous rounds of rigid body and restrained refinement using tight geometry restraints and medium non-crystallographic symmetry in REFMAC5 in combination with geometry idealisation and manual rebuilding in O resulted in a final structure of the MPGES1 trimer where all residues except the His- tags and the first ten N-terminal residues were included. At the present resolution the difference between using electron- or X-ray form factors are negligible, thus X-ray values were used throughout the refinement. 2F0-F0 and Fo-Fc maps were continuously generated to evaluate the accuracy and quality of the refined model. Reliable Rfree values were obtained by using a final fraction of 4.64 % of the observed structure factor amplitudes. PROCHECK (R. A. Laskowski, M. W. MacArthur, D. S. Moss, J. M. Thornton, J. Appl. Cryst. 26, 283 (1993) was used to examine the molecular geometry. For analysis and illustrations we used PYMOL (W. L. DeLano, The PyMOL Molecular Graphics System on World Wide Web http://www.pymol.org (2002)) and CHIMERA (. F. Petersen et al., J. Comput. Chem. 25, 1605 (2004)).
Table 1 Data collection and refinement statistics Two-dimensional crystal parameters
Two-sided plane-group p22i2i Cell dimensions a, b, C (A) 93.2, 84.6, 100.0* γ (°) 90.0 Amplitude determination from electron diffraction
No. of diffraction pattern 100
Maximum tilt angle (°) 62.0 Resolution in and normal to membrane plane (A)τ 3.5/4.2
No. of observed/used amplitudes 43035/6185
Fourier space sampled (%) 58.8
F/σ, overall/4.0-3.5 A 4.51/3.51
RFπedel (%) 14.4
Rmerge (%) 46.1
Crystallographic refinement
Resolution (A) 10.0 - 3.5
No. of reflections 6185
No. of atoms, protein/substrate 3396/60
Rwork (%) 35.2
RFree (%) 39.4
R.m.s. deviations
Bond lengths (A) 0.012
Bond angles (°) 1.612 Ramachandran plot distribution (%) 79.6/17.5/2.7/0.3
*Assumed for sampling along z*. For lattice line adaption a thickness of 65 A was used. 1FrOm calculation of point spread function
Example 5
Sequence alignment was performed with ClustalW (J. D. Thompson, D. G. Higgins, T. J. Gibson, Nucleic Acids Res. 22, 4673 (1994)). followed by structural based manual adjustments. Modeller (A. SaIi, T. L. Blundell, J. MoI. Biol. 234, 779 (1993). 25, 1605 (2004)). was used to calculate homology models.
Table 2: Site-directed mutagenesis for MPGES1
Mutation Fraction of wild-type activity (%γ
E66A 53
R67A 0
R70A 58
R70S 68
R70S* full activity
H72A 32
E77A 0
R1 10A 0
R1 10S 0
R1 10S* lost activity
Y1 17A 1
Y1 17F full activity
R70A-Y1 17A 7
Y130I" 15
"Residues identified to be involved in stabilisation of the protein and in GSH binding. Activities were measured from isolated E. coli membranes (n=2). Values represent the percentage of the mean value from wt MPGES1 in isolated E. coli membranes (n=6). *From supplementary ref 13. "From supplementary ref 14. Table 3
Atomic coordinates
HEADER XX-XXX-XX
COMPND
REMARK
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM REFMAC 5.2.0005
REMARK 3 AUTHORS MURSHUDOV, VAGIN, DODSON
REMARK 3
REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.48
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE
REMARK 3 COMPLETENESS FOR RANGE (%) : 58.32
REMARK 3 NUMBER OF REFLECTIONS : 5627
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) : 0.35428
REMARK 3 R VALUE (WORKING SET) : 0.35233
REMARK 3 FREE R VALUE : 0.39442
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.6
REMARK 3 FREE R VALUE TEST SET COUNT : 274
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED 20
REMARK 3 BIN RESOLUTION RANGE HIGH 3.480
REMARK 3 BIN RESOLUTION RANGE LOW 3.559
REMARK 3 REFLECTION IN BIN (WORKING SET) 240
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) 36.05
REMARK 3 BIN R VALUE (WORKING SET) 0.184
REMARK 3 BIN FREE R VALUE SET COUNT
REMARK 3 BIN FREE R VALUE 0.449
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 ALL ATOMS : 3456
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) 3.016
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 BIl (A**2) -1.01
REMARK 3 B22 (A**2) -1.03
REMARK 3 B33 (A**2) 2.04
REMARK 3 B12 (A**2) 0.00
REMARK 3 B13 (A**2) 0.00 REMARK 3 B23 (A**2 ) 0 00
REMARK 3
REMARK 3 ESTIMATED OVERALL COORDINATE ERROR
REMARK 3 ESU BASED ON R VALUE (A) NUL
REMARK 3 ESO BASED ON FREE R VALUE (A) 1 308
REMARK 3 ESϋ BASED ON MAXIMUM LIKELIHOOD (A) 0 548
REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**l22)) 30 138
REMARK 3
REMARK 33 CORRELATION COEFFICIENTS
REMARK 3 CORRELATION COEFFICIENT FO-FC 0 355
REMARK 3 CORRELATION COEFFICIENT FO-FC FREE 0 266
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT
REMARK 3 BOND LENGTHS REFINED ATOMS (A) 3552 0 012 0 022
REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES) 4827 1 612 1 978
REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES) 423 8 735 5 000
REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES) 144 29 062 ,20 833
REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES) 555 ,22 947 15 000
REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES) 33 ,21 929 15 000
REMARK 3 CPIRAL-CENTER RESTRAINTS (A**3) 543 , 0 116 0 200
REMARK 3 GENERAL PLANES REFINED ATOMS (A) 2676 0 005 0 020
REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A) 2727 0 338 0 200
REMARK 3 NON-BONDED TORSION REFINED ATOMS (A) 2334 0 316 0 200
REMARK 3 H-BOND (X Y) REFINED ATOMS (A) 180 0 256 0 200
REMARK 3 SYMMETRY VDW REFINED ATOMS (A) 46 0 357 0 200
REMARK 3 SYMMETRY h-BOND REFINED ATOMS (A) 0 524 0 200
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS COUNT
REMARK 3
REMARK 3 NCS RESTRAINTS STATISTICS
REMARK 3 NUMBER OF DIFFERENT NCS GROUPS 1
REMARK 3
REMARK 3 NCS GROUP NUMBER
REMARK 3 CHAIN NAMES A B C
REMARK 3 NUMBER OF COMPONENTS NCS GROUP 1
REMARK 3 COMPONENT C SSSEQI TO C SSSEQI CODE
REMARK 3 1 A 11 A 152 4
REMARK 3 1 B 11 B 152 4
REMARK 3 1 C 11 C 152 4
REMARK 3 GROUP CHAIN COUNT RMS WEIGHT
REMARK 3 MEDIUM POSITIONAL 1 (A) 1132 0 59 0 50
REMARK 3 MEDIUM POSITIONAL 1 (A) 1132 0 59 0 50
REMARK 3 MEDIUM POSITIONAL 1 (A) 1132 0 59 0 50
REMARK 3
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS NULL
REMARK 3
REMARK 3
REMARK 3 BULK SOLVENT MODELLING
REMARK 3 METHOD USED MASK REMARK 3 PARAMETCRS FOR MASK CALCULATION
REMARK 3 VDW PROBE RADIUS 1 20
REMARK 3 ION PROBE RADIUS 0 80
REMARK 3 SHRINKAGE RADIOS 0 80
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS
REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
REMARK 3
CRYSTl 93 200 84 600 100 000 90 00 90 00 90 00 P 21 21 2
SCALEl 0 010730 0 000000 0 000000 0 00000
SCALE2 0 000000 0 011820 0 000000 0 00000
SCALE3 0 000000 0 000000 0 010000 0 00000
ATOM 1 N PRO A 11 81 110 -33 743 -18 260 1 00 3 02 N
ATOM 2 CA PRO A 11 82 128 -33 275 -17 327 1 00 3 02
ATOM 3 CB PRO A 11 82 762 -32 094 -18 067 1 00 3 02 C
ATOM 4 CG PRO A 11 82 457 -32 339 -19 510 1 00 3 02 C
ATOM 5 CD PRO A 11 81 095 -32 942 -19 496 1 00 3 02 C
ATOM 6 C PRO A 11 81 501 -32 808 -16 024 1 00 3 02 C
ATOM 7 O PRO A 11 82 132 -32 897 -14 967 1 00 3 02 O
ATOM 8 N ALA A 12 80 261 -32 329 -16 115 1 00 3 02 N
ATOM 9 CA ALA A 12 79 523 -31 806 -14 969 1 00 3 02 C
ATOM 10 CB ALA A 12 78 281 -31 050 -15 442 1 00 3 02 C
ATOM 11 C ALA A 12 79 153 -32 906 -13 962 1 00 3 02 C
ATOM 12 O ALA A 12 79 927 -33 173 -13 032 1 00 3 02 O
ATOM 13 N LEU A 13 77 990 33 544 14 166 1 00 3 02 N
ATOM 14 CA LEU A 13 77 452 -34 600 -13 267 1 00 3 02 C
ATOM 15 CB LEQ A 13 76 389 -35 475 -13 966 1 00 3 02 C
ATOM 16 CG LEU A 13 75 140 -34 794 -14 530 1 00 3 02 C
ATOM 17 CDl LEU A 13 74 388 -35 736 -15 455 1 00 3 02 C
ATOM 18 CD2 LEQ A 13 74 242 -34 304 -13 396 1 00 3 02 C
ATOM 19 C LEU A 13 78 512 -35 501 -12 633 1 00 3 02 C
ATOM 20 O LEU A 13 78 386 -35 858 -11 459 1 00 3 02 O
ATOM 21 N PRO A 14 79 543 -35 886 -13 405 1 00 3 02 N
ATOM 22 CA PRO A 14 80 521 -36 724 -12 724 1 00 3 02 C
ATOM 23 CB PRO A 14 81 399 -37 275 -13 859 1 00 3 02 C
ATOM 24 CG PRO A 14 81 108 -36 442 057 1 00 3 02 C
ATOM 25 CD PRO A 14 79 857 -35 669 -14 832 1 00 3 02 C
ATOM 26 C PRO A 14 81 331 -36 021 -11 618 1 00 3 02 C
ATOM 27 O PRO A 14 81 430 -36 564 -10 511 1 00 3 02 O
ATOM 28 N ALA A 15 81 883 -34 836 -11 888 1 00 3 02 N
ATOM 29 CA ALA A 15 82 621 -34 085 -10 851 1 00 3 02 C
ATOM 30 CB ALA A 15 83 000 -32 689 11 348 00 3 02 C
ATOM 31 C ALA A 15 81 853 -34 008 -9 512 1 00 3 02 C
ATOM 32 O ALA A 15 82 441 -33 725 -8 461 1 00 3 02 O
ATOM 33 N PHE A 16 80 546 -34 295 -9 576 1 00 3 02 N
ATOM 34 CA PHE A 16 79 635 -34 279 -8 418 1 00 3 02 C
ATOM 35 CB PHE A 16 78 270 -33 713 -8 815 1 00 3 02 C
ATOM 36 CG PHE A 16 78 354 -32 339 -9 341 1 00 3 02 C
ATOM 37 CDl PHE A 16 78 478 -32 117 -10 706 1 00 3 02 C
ATOM 38 CEl PHE A 16 78 603 -30 824 -11 218 1 00 3 02 C
ATOM 39 CZ PHE A 16 78 625 -29 743 -10 348 1 00 3 02 C ATOM 40 CE2 PHE A 16 78 521 -29 958 -8 964 1 00 3 02 C
ATOM 41 CD2 PHE A 16 78 388 -31 253 -8 473 1 00 3 02 C
ATOM 42 C PHE A 16 79 445 -35 629 -7 755 1 00 3 02 C
ATOM 43 O PHE A 16 79 127 35 706 6 566 I 00 3 02 O
ATOM 44 N LEU A 17 79 6,.9 -36 694 -8 519 I 00 3 02 N
ATOM 45 CA LEU A 17 79 376 -37 998 -7 969 1 00 3 02 C
ATOM 46 CB LEU A 17 79 764 -39 109 -8 960 1 00 3 02 C
ATOM 47 CG LEU A 17 79 109 -39 093 -10 347 1 00 3 02 C
ATOM 48 CDl LEU A 17 79 482 -40 288 -11 173 1 00 3 02 C
ATOM 49 CD2 LEU A 17 77 618 -38 999 -10 219 1 00 3 02 C
ATOM 50 C LEU A 17 80 157 -38 094 -6 673 1 00 3 02 C
ATOM 51 O LEU A 17 79 568 -38 283 -5 611 1 00 3 02 O
ATOM 52 N LEU A 18 81 470 -37 889 -6 765 1 00 3 02 N
ATOM 53 CA LEU A 18 82 397 -38 165 -5 664 1 00 3 02 C
ATOM 54 CB LEU A 18 83 855 -38 124 -6 138 1 00 3 02 C
ATOM 55 CG LEU A 18 84 208 -38 751 -7 494 1 00 3 02 C
ATOM 56 CDl LEU A 18 85 722 -38 947 -7 546 1 00 3 02 C
ATOM 57 CD2 LEU A 18 83 436 -40 080 775 1 00 02 C
ATOM 58 C LEU A 18 82 192 -37 228 -4 494 1 00 3 02 C
ATOM 59 O LEU A 18 82 677 -37 479 -3 402 1 00 3 02 O
ATOM 60 N CYS A 19 81 449 -36 156 -4 731 1 00 3 02 N
ATOM 61 CA CYS A 19 81 100 -35 220 -3 680 1 00 3 02 C
ATOM 62 CB CYS A 19 80 482 -33 960 -4 284 1 00 3 02 C
ATOM 63 SG CYS A 19 81 323 -33 390 -5 804 1 00 3 02 S
ATOM 64 C CYS A 19 80 154 -35 898 -2 689 1 00 3 02 C
ATOM 65 O CYS A 19 80 125 -35 564 -1 513 1 00 3 02 O
ATOM 66 N SER A 20 79 387 -36 866 -3 169 1 00 3 02 N
ATOM 67 CA SER A 20 78 608 -37 697 -2 284 1 00 3 02 C
ATOM 68 CB SER A 20 77 595 -38 512 -3 084 1 00 3 02 C
ATOM 69 OG SER A 20 78 233 -39 346 -4 040 1 00 3 02 O
ATOM 70 C SER A 20 79 564 -38 595 -1 490 1 00 3 02 C
ATOM 71 O SER A 20 79 783 -38 339 -0 298 1 00 3 02 O
ATOM 72 N THR A 21 80 163 -39 588 -2 180 1 00 3 02 N
ATOM 73 CA THR A 21 θl 026 -40 641 -1 595 1 00 3 02 C
ATOM 74 CB THR A 21 81 896 -41 381 —2 653 1 00 3 02 C
ATOM 75 OGl THR A 21 81 424 -41 115 -3 974 1 00 3 02 O
ATOM 76 CG2 THR A 21 81 902 -42 883 ~7 403 1 00 3 02 C
ATOM 77 C THR A 21 82 020 -40 116 0 587 1 00 3 02 C
ATOM 78 O THR A 21 82 150 -40 656 0 507 1 00 3 02 O
ATOM 79 N LEU A 22 82 723 -39 060 -0 972 1 00 3 02 N
ATOM 80 CA LEU A 22 83 873 -38 579 -0 218 1 00 3 02 C
ATOM 81 CB LEU A 22 84 819 -37 771 -1 127 1 00 3 02 C
ATOM 82 CG LEU A 22 85 344 -38 465 -2 391 1 00 3 02 C
ATOM 83 CDl LEU A 22 86 154 -37 519 -3 250 1 00 3 02 C
ATOM 84 CD2 LEU A 22 86 136 39 724 -2 025 1 00 3 02 C
ATOM 85 C LEU A 22 83 478 -37 761 1 001 1 00 3 02 C
ATOM 86 O LEU A 22 84 099 -37 872 2 062 1 00 3 02 O
ATOM 87 N LEU A 23 82 443 -36 944 0 850 1 00 3 02 N
ATOM 88 CA LEU A 23 82 033 -36 040 1 921 1 00 3 02 C
ATOM 89 CB LEU A 23 81 493 -34 722 1 356 1 00 3 02 C
ATOM 90 CG LEU A 23 82 441 -33 928 0 436 1 00 3 02 C ATOM 91 CDl LEU A 23 81 643 -33 072 -0 520 1 00 3 02
ATOM 92 CD2 LEU A 23 83 418 -33 068 1 213 1 00 3 02
ATOM 93 C LEU A 23 81 048 -36 689 2 888 1 00 3 02
ATOM 94 O LEU A 23 80 784 -36 142 3 964 1 00 3 02
ATOM 95 M VAL A 24 80 518 -37 852 2 496 1 00 3 02
ATOM 96 CA VAL A 24 79 877 -38 783 3 422 1 00 3 02
ATOM 97 CB VAL A 24 79 238 -39 953 2 673 1 00 3 02
ATOM 98 CGl VAL A 24 78 866 -41 107 3 628 1 00 3 02
ATOM 99 CG2 VAL A 24 78 038 -39 463 1 921 1 00 3 02
ATOM 100 C VAL A 24 80 930 -39 302 4 406 1 00 3 02
ATOM 101 O VAL A 24 80 839 -39 027 5 602 1 00 3 02
ATOM 102 N ILE A 25 81 930 -40 033 3 898 1 00 3 02
ATOM 103 CA ILE A 25 83 093 -40 428 4 689 1 00 3 02
ATOM 104 CB ILE A 25 84 325 -40 741 3 797 1 00 3 02
ATOM 105 CGl ILE A 25 84 037 -41 910 2 840 1 00 3 02
ATOM 106 CDl ILE A 25 85 207 -42 239 1 891 1 00 3 02
ATOM 107 CG2 ILE A 25 85 579 -4i 039 4 658 1 00 3 02
ATOM 108 C ILE A 25 83 445 -39 282 5 618 1 00 3 02
ATOM 109 O ILE A 25 83 270 -39 383 6 830 1 00 3 02
ATOM 110 N LYS A 26 83 905 -38 187 5 017 1 00 3 02
ATOM 111 CA LYS A 26 84 256 -36 959 5 735 1 00 3 02
ATOM 112 CB LYS A 26 84 429 -35 778 4 762 1 00 3 02
ATOM 113 CG LYS A 26 84 993 -34 534 5 418 1 00 3 02
ATOM 114 CD LYS A 26 86 328 -34 862 6 061 1 00 3 02
ATOM 115 CE LYS A 26 86 667 -33 913 7 193 1 00 3 02
ATOM 116 NZ LYS A 26 87 878 -34 377 7 916 1 00 3 02
ATOM 117 LYS A 26 83 270 -36 597 6 858 1 00 3 02
ATOM 118 O LYS A 26 83 663 -36 548 8 031 1 00 3 02
ATOM 119 N MET A 27 82 007 -36 346 6 510 1 00 3 02
ATOM 120 CA MET A 27 81 020 -36 100 7 544 1 00 3 02
ATOM 121 CB MET A 27 79 915 -35 146 η 084 1 00 3 02
ATOM 122 CG MET A 27 80 059 -33 728 7 595 1 00 3 02
ATOM 123 SD MET A 27 78 832 -33 203 8 832 1 00 3 02 s
ATOM 124 CE MET A 27 79 395 -34 086 10 306 1 00 3 02 C
ATOM 125 C ME1"1 A 27 80 475 -37 413 8 104 1 00 3 02 C
ATOM 126 O MET A 27 81 037 -37 946 9 070 1 00 3 02 O
ATOM 127 N TYR A 28 79 435 -37 972 7 486 1 00 3 02 N
ATOM 128 CA TYR A 28 78 678 -39 012 8 171 1 00 3 02 C
ATOM 129 CB TYR A 28 77 247 -39 095 7 647 1 00 3 02 C
ATOM 130 CG TYR A 28 76 240 -39 061 8 773 1 00 3 02 C
ATOM 131 CDl TYR A 28 75 576 37 888 9 091 1 00 3 02 C
ATOM 132 CEl TYR A 28 74 657 -37 840 10 116 1 00 3 02 C
ATOM 133 CZ TYR A 28 74 403 -38 971 10 854 1 00 3 02 C
ATOM 134 OH TYR A 28 73 488 -38 897 11 870 1 00 3 02 O
ATOM 135 CEZ TYR A 28 75 056 -40 152 10 578 1 00 3 02 C
ATOM 13S CD2 TYR A 28 75 970 -40 193 9 540 1 00 3 02
ATOM 137 C TYR A 28 79 323 -40 414 8 408 1 00 3 02
ATOM 138 O TYR A 28 78 722 -41 230 9 129 1 00 3 02
ATOM 139 N VAL A 29 80 508 -40 735 7 872 1 00 3 02
ATOM 140 CA VAL A 29 81 169 -41 949 8 403 1 00 3 02
ATOM 141 CB VAL A 29 81 932 -42 794 7 335 1 00 3 02 ATOM 142 CGl VAL A 29 83 367 -43 124 7 779 1 00 3 02 C
ATOM 143 CG2 VAL A 29 81 157 -44 077 7 037 1 00 3 02 C
ATO1"! 144 C VAL A 29 82 000 -41 643 9 650 1 00 3 02 C
ATOM 145 O A 29 82 158 -12 504 10 526 1 00 3 02 O
ATOM 146 IJ VAL A 30 82 505 -40 405 9 710 1 00 3 02 N
ATOM 147 CA VAL A 30 83 177 -39 846 10 899 1 00 3 02 C
ATOM 148 CB VAL A 30 84 032 -38 576 10 566 1 00 3 02 C
ATOM 149 CGl VAL A 30 84 643 -37 992 11 819 1 00 3 02 C
ATOM 150 CG2 VAL A 30 85 154 -38 909 9 580 1 00 3 02 C
ATOM 151 C VAL A 30 82 120 -39 536 11 965 1 00 3 02 C
ATOM 152 O VAL A 30 82 441 39 392 13 144 1 00 3 02 O
ATOM 153 N ALA A 31 80 863 -39 446 11 525 1 00 3 02 N
ATOM 154 CA ALA A 31 79 707 -39 417 12 412 1 00 3 02 C
ATOM 155 CB ALA A 31 78 488 -38 929 11 654 1 00 3 02 C
ATOM 156 C ALA A 31 79 445 -40 804 13 012 1 00 3 02 C
ATOM 157 O ALA A 31 79 255 -40 941 14 221 1 00 3 02 O
ATOM 158 N ILE A 32 79 457 -41 824 12 157 1 00 3 02 N
ATOM 159 CA ILE A 32 79 176 -43 204 12 564 1 00 02 C
ATOM 160 CB ILE A 32 78 661 -44 075 11 344 1 00 3 02 C
ATOM 161 CGl ILE A 32 77 355 -43 492 10 778 1 00 3 02 C
ATOM 162 CDl ILE A 32 77 015 -43 880 9 361 1 00 3 02 C
ATOM 163 CG2 ILE A 32 78 486 -45 566 11 722 1 00 3 02 C
ATOM 164 C ILE A 32 80 348 -43 862 13 335 1 00 3 02 C
ATOM 165 O ILE A 32 80 119 -44 666 14 233 1 00 3 02 O
ATOM 166 N ILE A 33 81 593 -43 520 13 010 1 00 3 02 N
ATOM 167 CA ILE A 33 82 728 -44 026 13 809 1 00 3 02 C
ATOCl 168 CB ILE A 33 84 097 -43 999 13 037 1 00 3 02 C
ATOM 169 CGl ILE A 33 84 063 -44 988 11 867 1 00 3 02 C
ATOM 170 CDl ILE A 33 85 230 -44 884 10 908 1 00 3 02 Q
ATOM 171 CG2 ILE A 33 85 259 -44 364 13 967 1 00 3 02 C
ATOM 172 C ILE A 33 82 803 -43 374 15 212 1 00 3 02 C
ATOM 173 O ILE A 33 82 533 -44 041 16 216 1 00 3 02 O
ATOM 174 N THR A 34 83 143 -42 083 15 268 1 00 3 02 N
ATOM 175 CA THR A 34 83 163 -41 323 16 529 1 00 3 02 C
ATOM 176 CB THR A 34 82 905 -39 782 16 323 1 00 3 02 C
ATOM 177 OGl THR A 34 81 781 -39 573 15 452 1 00 3 02 O
ATOM 178 CG2 THR A 34 84 148 -39 059 15 770 1 00 3 02 C
ATOM 179 C THR A 34 82 141 41 834 17 548 1 00 3 02 C
ATOM 180 O THR A 34 82 519 -42 460 18 550 1 00 3 02 O
ATOM 181 N GLY A 35 80 857 -41 578 17 262 1 00 3 02 N
ATOM 182 CA GLY A 35 79 739 -41 859 18 168 1 00 3 02 C
ATOM 183 C GLY A 35 79 522 -43 315 18 509 1 00 3 02 C
ATOM 184 O GLY A 35 79 231 -43 649 19 659 1 00 3 02 O
ATOM 185 N GLN A 36 79 654 -44 183 17 507 1 00 3 02 N
ATOM 186 CA GLN A 36 79 610 45 625 17 734 1 00 3 02 C
ATOM 187 CB GLN A 36 79 654 -46 413 16 424 1 00 3 02 C
ATOM 188 CG GLN A 36 78 456 -46 204 15 502 1 00 3 02 C
ATOM 189 CD GLN A 36 77 265 -47 103 15 820 1 00 3 02 C
ATOM 190 OEl GLN A 36 77 324 -47 954 16 711 1 00 3 02 O
ATOM 191 NE2 GLN A 36 76 166 -46 906 15 090 1 00 3 02 N
ATOM 192 C GLN A 36 80 759 -46 049 18 645 1 00 3 02 C ATOM 193 O GLN A 36 80.532 -46 840 19 567 1.00 3 02
ATOM 194 N VAL A 37 81 .974 -45 527 18 .401 1 .00 3 02
ATOM 195 CA VAL A 37 83 .131 -45 .858 19 257 1 .00 3 02
ATOM 196 CB VAL A 37 84 .523 -45 362 18 .706 1 .00 3 02
ATOM 197 CGl VAL A 37 85 644 -45 627 19 718 1 00 3 02
ATOM 198 CG2 VAL A 37 84 886 -46 035 17 .386 1 .00 3 02
ATOM 199 C VAL A 37 82 .874 -45 .322 20 665 1 .00 3 02
ATOM 200 O VAL A 37 83 .300 -45 .943 21 .654 1 .00 3 02
ATOM 201 N ARG A 38 82 .156 -44 .193 20 .736 1 .00 3 .02
ATOM 202 CA ARG A 38 81 .822 -43 .539 22 .010 1 00 3 02
ATOM 203 CB ARG A 38 81 .342 -42 .087 21 .808 1 00 3 02
ATOM 204 CG ARG A 38 81 147 -41 310 23 119 1 00 3 02
ATOM 205 CD ARG A 38 80 .618 -39 .900 22 .891 1 00 3 .02
ATOM 206 NE ARG A 38 79 822 -39 .426 24 .030 1 00 3 .02
ATOM 207 CZ ARG A 38 79 024 -38 .356 24 .028 1 00 3 .02
ATOM 208 NHl ARG A 38 78 882 -37 599 22 .943 1 00 3 .02
ATOM 209 NH2 ARG A 38 78 359 -38 051 25 .129 1 00 3 .02
ATOM 210 C ARG A 38 80 811 -44 .327 22 .849 1 00 3 .02
ATOM 211 O ARG A 38 81 053 -44 575 24 033 1 00 02
ATOM 212 N LEU A 39 79 700 -44 .746 22 .246 1 00 3 .02
ATOM 213 CA LEU A 39 78 642 45 425 23 .005 1 00 3 02
ATOM 214 CB LEU A 39 77 328 -45 495 22 201 1 00 3 02
ATOM 215 CG LEU A 39 76 400 -44 .272 22 .416 1 00 3 .02
ATOM 216 CDl LEU A 39 75 799 -43 .682 21 .119 1 .00 3 .02
ATOM 217 CD2 LEU A 39 75 308 -44 564 23 .457 1 .00 3 .02
ATOM 218 C LEU A 39 79 069 -46 785 23 .565 1 .00 3 02
ATOM 219 O LEU A 39 78 .391 -47 348 24 .430 1 .00 3. .02
ATOM 220 N ARG A 40 80 .203 -47. ,296 23 087 1 .00 3. .02
ATOM 221 CA ARG A 40 80 771 -48 548 23 587 1 00 3 02
ATOM 222 CB ARG A 40 81 502 -49. .304 22 471 1 .00 3. .02
ATOM 223 CG ARG A 40 82. .024 50 690 22 893 1 .00 3 02
ATOM 224 CD ARG A 40 81 238 -51. 815 22 258 1. .00 3. 02
ATOM 225 NE ARG A 40 80. .994 -52 911 23 184 1. .00 3. 02 N
ATOM 226 CZ ARG A 40 79. .886 -53 649 23 173 1. ,00 3 02 C
ATOM 227 NHl ARG A 40 78. 921 -53. 406 22 292 1. .00 3. 02 N
ATOM 228 NH2 ARG A 40 79. 727 -54 625 24 052 1. 00 3 02 N
ATOM 229 C ARG A 40 81. 737 -48. 284 24 735 1. 00 3. 02 C
ATOM 230 O ARG A 40 81. 821 -49. 077 25 684 1. 00 3. 02 O
ATOM 231 N LYS A 41 82 466 -47 171 24 627 1 00 3 02 N
ATOM 232 CA LΪS A 41 83. 501 -46. 790 25. 591 1. 00 3. 02 C
ATOM 233 CB LYS A 41 84. 535 -45. 890 24 922 1. 00 3. 02 C
ATOM 234 CG LYS A 41 85. 429 -46. 611 23. 932 1. 00 3. 02 C
ATOM 235 CD LYS A 41 86. 690 -45. 797 23 695 1 00 3 02 C
ATOM 236 CE LYS A 41 87. 718 -46. 526 22. 850 1. 00 3. 02 C
ATOM 237 NZ LYS A 41 88. 902 -45. 648 22. 696 1. 00 3 02 N
ATOM 238 C LYS A 41 82 898 -46 085 26 797 1. 00 3 02 C
ATOM 239 O LYS A 41 83. 600 -45 762 27. 769 1 00 3 02 O
ATOM 240 N LYS A 42 81 586 -45 877 26. 718 1. 00 3 02 N
ATOM 241 CA LYS A 42 80 822 -45 098 27. 683 1 00 3 02 C
ATOM 242 CB LYS A 42 79 329 -45 447 27 585 1 00 3 02 C
ATOM 243 CG LYS A 42 78 420 -44 233 27. 358 1 00 3 02 C ATOM 244 CD LYS A 42 78 945 -43 379 26 202 1 00 3 02
ATOM 245 CE LYS A 42 77 958 -_2 312 25 756 1 00 3 02
ATOM 246 NZ LYS A 42 77 610 -41 317 26 816 1 00 3 02
ATOM 217 C LYS A 42 81 310 -45 194 29 125 1 00 3 02
ATOM 248 O LYS A 42 81 089 -46 200 29 805 1 00 3 02
ATOM 249 N ALA A 43 82 008 -44 142 29 552 1 00 3 02
ATOM 250 CA ALA A 43 82 286 -43 879 30 962 1 00 3 02
ATOM 251 CB ALA A 43 83 626 -43 134 31 127 1 00 3 02
ATOM 252 C ALA A 43 81 111 -43 068 31 538 1 00 3 02 C
ATOM 253 O ALA A 43 81 100 -42 696 32 713 1 00 3 02 O
ATOM 254 N PHE A 44 80 108 42 825 30 698 1 00 3 02 N
ATOM 255 CA EHE A 44 78 905 -42 114 31 116 1 00 3 02 C
ATOM 256 CB EHB A 44 78 140 -41 554 29 912 1 00 3 02 C
ATOM 257 CG PHE A 44 78 780 -40 327 29 314 1 00 3 02 C
ATOM 258 CDl PHE A 44 80 177 -40 261 29 142 1 00 02 C
ATOM 259 CEl PHE A 44 80 773 -39 143 28 593 1 00 3 02 C
ATOM 260 CZ PHE A 44 79 989 -38 056 28 196 1 00 3 02 C
ATOM 261 CE2 PHE A 44 78 605 -38 100 28 358 1 00 3 02 C
ATOM 262 CD2 PHE A 44 77 999 -39 241 28 916 1 00 3 02 C
ATOM 263 C PHE A 44 78 011 -42 939 32 029 1 00 3 02 C
ATOM 264 O PHE A 44 78 168 -44 166 32 126 1 00 3 02 O
ATOM 265 N ALA A 45 77 051 -42 250 32 651 1 00 3 02 N
ATOM 266 CA ALA A 45 76 499 -42 613 33 958 1 00 3 02 C
ATOM 267 CB ALA A 45 76 084 -44 082 34 024 1 00 3 02 C
ATOM 268 C ALA A 45 77 602 -42 268 34 971 1 00 3 02 C
ATOM 269 O ALA A 45 77 665 -42 824 36 082 1 00 3 02 O
ATOM 270 N ASN A 46 78 448 -41 314 34 541 - 00 3 02 N
ATOM 271 CA ASN A 46 79 608 40 766 35 274 1 00 3 02 C
ATOM 272 CB ASN A 46 80 095 -39 448 34 634 1 00 3 02 C
ATOM 273 CG ASN A 46 80 305 -39 549 33 135 1 00 3 02 C
ATOM 274 ODl ASN A 46 79 648 -38 862 32 351 1 00 3 02 O
ATOM 275 ND2 ASN A 46 81 231 -40 389 32 732 1 00 3 02 N
ATOM 276 C ASN A 46 79 275 -40 471 36 734 1 00 3 02 C
ATOM 277 O ASN A 46 78 169 -39 966 37 012 1 00 3 02 O
ATOM 278 N PRO A 47 80 264 -40 666 37 650 1 00 3 02 N
ATOM 279 CA PRO A 47 80 180 -40 813 39 106 1 00 3 02 C
ATOM 280 CB PRO A 47 81 177 -39 748 39 590 1 00 3 02 C
ATOM 281 CG PRO A 47 82 199 39 622 38 407 1 00 3 02 C
ATOM 282 CD PRO A 47 81 681 -40 534 37 280 1 00 3 02 C
ATOM 283 C PRO A 47 78 775 -40 591 39 661 1 00 3 02 C
ATOM 284 O PRO A 47 78 574 -39 776 40 565 1 00 3 02 O
ATOM 285 N GLU A 48 77 829 -41 358 39 112 1 00 3 02 N
ATOM 286 CA GLU A 48 76 396 -41 163 39 294 1 00 3 02 C
ATOM 287 CB GLU A 48 75 974 -41 428 40 739 1 00 3 02 C
ATOM 288 CG GLU A 48 74 512 -41 766 40 898 1 00 3 02 C
ATOM 289 CD GLU A 48 74 172 -42 163 42 314 1 00 3 02 C
ATOM 290 OEl GLU A 48 75 113 -42 527 43 058 1 00 3 02 O
ATOM 291 OE2 GLU A 48 72 968 -42 115 42 681 1 00 3 02 O
ATOM 292 C GLU A 48 76 006 -39 756 38 834 1 00 3 02 C
ATOM 293 O GLU A 48 76 314 -38 743 39 497 1 00 3 02 O
ATOM 294 N ASP A 49 75 345 -39 704 37 681 1 00 3 02 N ATOM 295 CA ASP A 49 74 897 -38 447 3377 009911 1 00 3 02
ATOM 296 CB ASP A 49 76 020 -37 871 3366 220044 1 00 3 02
ATOM 297 CG ASP A 49 76 404 -36 444 3366 5599C0 1 00 3 02
ATOM 298 ODl ASP A 49 75 634 -35 811 3377 335555 1 00 3 02
ATOM 299 OD2 ASP A 49 77 465 -35 950 3366 112288 1 00 3 02
ATOM 300 C ASP A 49 73 639 -38 671 3366 225511 1 00 3 02
ATOM 301 O ASP A 49 73 314 -39 801 3355 886622 1 00 3 02
ATOM 302 N ALA A 50 72 915 -37 585 3366 001111 1 00 3 02
ATOM 303 CA ALA A 50 72 167 -37 437 3344 778800 1 00 3 02
ATOM 304 CB ALA A 50 71 022 -36 457 3344 996611 1 00 3 02
ATOM 305 C ALA A 50 73 277 -36 817 333333 999333777 1 00 3 02
ATOM 306 O ALA A 50 74 166 -36 154 333444 555000333 1 00 3 02 O
ATOM 307 N LEU A 51 73 288 -37 036 333222 666222444 1 00 3 02 N
ATOM 308 CA LEU A 51 74 431 36 533 3311 885511 1 00 3 02 C
ATOM 309 CB LEU A 51 74 710 -37 361 3 300 661100 1 00 3 02 C
ATOM 310 CG LEU A 51 73 531 -37 858 2 299 881166 1 00 3 02 C
ATOM 311 CDl LEU A 51 73 391 -37 019 2 288 556688 1 00 3 02 C
ATOM 312 CD2 LEU A 51 73 825 -39 304 22 2999 444999222 1 00 3 02 C
ATOM 313 C LEU A 51 74 371 -35 039 33 3111 555555444 1 00 3 02 C
ATOM 314 O LEU A 51 73 642 -34 321 33 3222 222222444 1 00 3 02 O
ATOM 315 N ARG A 52 75 128 -34 602 33 3000 555444555 1 00 3 02 N
ATOM 316 CA ARG A 52 75 583 -33 202 33 3000 333555444 1 00 3 02 C
ATOM 317 CB ARG A 52 74 459 -32 128 33 3000 333333222 1 00 3 02 C
ATOM 318 CG ARG A 52 73 691 -31 859 3 311 662277 1 00 3 02 C
ATOM 319 CD ARG A 52 72 261 -32 417 3 311 553388 1 00 3 02 C
ATOM 320 NE ARG A 52 71 694 -32 897 3322 881122 1 00 3 02 N
ATOM 321 CZ ARG A 52 71 744 -32 262 3333 999900 1 00 3 02 C
ATOM 322 NHl ARG A 52 72 328 -31 072 34 101 1 00 3 02 N
ATOM 323 NH2 ARG A 52 71 184 -32 817 35 064 1 00 3 02 N
ATOM 324 C ARG A 52 76 724 -32 893 3311 332266 11 O0C0 3 02 C
ATOM 325 O ARG A 52 77 022 -33 709 3322 220033 11 O0C0 3 02 O
ATOM 326 N HIS A 53 77 375 -31 746 333111 111444333 111 000000 3 02 N
ATOM 327 CA HIS A 53 78 651 -31 429 333111 888000111 111 000000 3 02 C
ATOM 328 CB HIS A 53 78 551 -31 282 333333 333444000 111 000000 3 02 C
ATOM 329 CG HIS A 53 77 301 -31 846 3333 994499 11 0000 3 02 C
ATOM 330 NDl HIS A 53 76 080 -31 207 3333 887733 11 0000 3 02 N
ATOM 331 CEl HIS A 53 75 167 -31 922 333444 555000333 111 000000 3 02 C
ATOM 332 NE2 HIS A 53 75 751 -33 000 333444 999999111 111 000000 3 02 N
ATOM 333 CD2 HIS A 53 77 089 -32 972 333444 666777000 111 000000 3 02 C
ATOM 334 C HIS A 53 79 755 -32 407 333111 444333333 111 000000 3 02 C
ATOM 335 O HIS A 53 79 820 33 502 333111 999888333 111 000000 3 02 O
ATOM 336 N GLY A 54 80 630 -32 005 333000 555111222 111 000000 3 02 N
ATOM 337 CA GLY A 54 81 769 -32 840 3300 009933 11 0000 3 02 C
ATOM 338 C GLY A 54 83 115 -32 451 3300 770077 11 0000 3 02 C
ATOM 339 O GLY A 54 83 803 -31 540 3 300 221122 11 0000 3 02 O
ATOM 340 N GLY A 55 83 494 -33 150 3 311 778811 11 0000 3 02 N
ATOM 341 CA GLY A 55 84 763 -32 887 3 322 446688 11 0000 3 02 C
ATOM 342 C GLY A 55 84 866 -33 300 3 333 993344 11 0000 3 02 C
ATOM 343 O GLY A 55 85 195 -32 456 3 344 779911 11 0000 3 02 O
ATOM 344 N PRO A 56 84 600 -34 596 3 344 223399 11 0000 3 02 M
ATOM 345 CA PRO A 56 84 825 -35 142 3 355 557788 11 0000 3 02 C ATOM 346 CB PRO A 56 83 781 -36 248 35 672 1 00 3 02 C
ATOM 317 CG DRO A 56 83 683 -36 756 34 293 1 00 3 02 C
ATOM 348 CD PRO A 56 84 049 -35 624 33 343 1 00 3 02 C
ATOM 349 C PRO A 56 86 234 35 723 35 700 1 00 3 02 C
ATOM 350 O PRO A 56 87 059 -35 185 36 447 1 00 3 02 O
ATOM 351 N GLN A 57 86 499 -36 809 34 975 1 00 3 02 N
ATOM 352 CA GLN A 57 87 854 -37 314 34 795 1 00 3 02
ATOM 353 CB GLN A 57 87 880 -38 854 34 763 1 00 3 02 Q
ATOM 354 CG GLN A 57 87 461 -39 518 36 088 1 00 3 02 C
ATOM 355 CD GLN A 57 88 197 -40 821 36 405 1 00 3 02 C
ATOM 356 OEl GLN A 57 88 908 41 371 35 572 1 00 3 02 O
ATOM 357 NE2 GLN A 57 88 015 -41 317 37 624 1 00 3 02 N
ATOM 358 C GLN A 57 88 374 -36 728 33 487 1 00 3 02 C
ATOM 359 O GLN A 57 87 572 -36 298 32 643 1 00 02 O
ATOM 360 N TYR A 58 89 701 -36 679 33 326 1 00 3 02 N
ATOM 361 CA TYR A 58 90 277 -36 329 32 030 1 00 02 C
ATOM 362 CB TYR A 58 91 811 -36 255 32 072 1 00 3 02 C
ATOM 363 CG TYR A 58 92 519 -37 572 32 302 1 00 3 02 C
ATOM 364 CDl TYR A 58 93 061 -38 297 31 231 1 00 3 02 C
ATOM 365 CEl TYR A 58 93 724 -39 522 31 445 1 00 3 02 C
ATOM 366 CZ TYR A 58 93 849 -40 029 32 743 1 00 3 02 C
ATOM 367 OH TYR A 58 94 501 41 225 32 965 1 00 3 02 O
ATOM 368 CE2 TYR A 58 93 319 -39 328 33 821 1 00 3 02 C
ATOM 369 CD2 TYR A 58 92 656 -38 099 33 595 1 00 3 02 C
ATOM 370 C TYR A 58 89 764 -37 359 31 021 1 00 3 02 C
ATOM 371 O TYR A 58 88 998 -37 007 30 113 1 00 3 02 O
ATOM 372 N CYS A 59 90 119 -38 631 31 250 1 00 3 02 N
ATOM 373 CA CYS A 59 89 744 -39 759 30 393 1 00 3 02 C
ATOM 374 CB CYS A 59 89 791 -41 078 31 180 1 00 3 02 C
ATOM 375 SG CYS A 59 91 262 -42 085 30 915 1 00 3 02 S
ATOM 376 C CYS A 59 88 380 -39 576 29 740 1 00 3 02 C
ATOM 377 O CYS A 59 88 292 -39 293 28 547 1 00 3 02 O
ATOM 378 N ARG A 60 87 324 -39 721 30 525 1 00 3 02 N
ATOM 379 CA ARG A 60 85 976 -39 606 29 993 1 00 3 02 C
ATOM 380 CB ARG A 60 84 976 -39 267 31 111 1 00 3 02 C
ATOM 381 CG ARG A 60 83 563 -39 046 30 630 1 00 3 02 C
ATOM 382 CD ARG A 60 82 7x6 -38 409 31 701 1 00 3 02 C
ATOM 383 NE ARG A 60 81 838 37 380 31 133 1 00 3 02 N
ATOM 384 CZ ARG A 60 81 082 -36 506 31 812 1 00 3 02 C
ATOM 385 NHl ARG A 60 81 019 -36 514 33 139 1 00 3 02 N
ATOM 386 NH2 ARG A 60 80 354 -35 629 31 138 1 00 3 02 N
ATOM 387 C ARG A 60 85 923 -38 565 28 867 1 00 3 02 C
ATOM 388 O ARG A 60 85 980 -38 921 27 671 1 00 3 02 O
ATOM 389 N SER A 61 85 869 -37 289 29 272 1 00 3 02 N
ATOM 390 CA SER A 61 85 463 -36 171 28 404 1 00 3 02 C
ATOM 391 CB SER A 61 84 422 -35 320 29 134 1 00 3 02 C
ATOM 392 OG SER A 61 84 917 -34 912 30 399 1 00 3 02 O
ATOM 393 C SER A 61 86 585 -35 272 27 842 1 00 3 02 C
ATOM 394 O SER A 61 86 440 -34 743 26 737 1 00 3 02 O
ATOM 395 N ASP A 62 87 681 -35 092 28 586 1 00 3 02 N
ATOM 396 CA ASP A 62 88 749 -34 168 28 154 1 00 3 02 C ATOM 397 CB ASP A 62 89 941 -31 133 29 129 1 00 3 02 C
ATOM 398 CG ASP A 62 90 068 -32 790 29 876 1 00 3 02 C
ATOM 399 ODl ASP A 62 89 104 -32 329 30 527 1 00 3 02 O
ATOM 400 OD2 ASP A 62 91 158 -32 181 29 822 1 00 3 02 O
ATOM 401 C ASP A 62 89 182 -34 288 26 669 1 00 3 02 C
ATOM 402 O ASP A 62 89 051 -33 299 25 943 1 00 3 02 O
ATOM 403 N PRO A 63 89 629 -35 496 26 199 1 00 3 02 N
ATOM 404 CA PRO A 63 90 042 -35 592 24 790 1 00 3 02
ATOM 405 CB PRO A 63 91 023 -36 759 24 805 1 00 3 02 C
ATOM 406 CG PRO A 63 90 501 -37 681 25 858 1 00 3 02 C
ATOM 407 CD PRO A 63 89 749 36 815 26 868 1 00 3 02 C
ATOM 408 C PRO A 63 88 873 -35 926 23 857 1 00 3 02 C
ATOM 409 O PRO A 63 88 995 -35 797 22 637 1 00 3 02 O
ATOM 410 N ASP A 64 87 753 -36 337 24 452 1 00 3 02 N
ATOM 411 CA ASP A 64 86 587 -36 823 23 731 1 00 3 02 C
ATOM 412 CB ASP A 64 85 882 -37 943 24 550 1 00 3 02 C
ATOM 413 CG ASP A 64 84 422 -38 240 24 107 1 00 3 02 C
ATOM 414 ODl ASP A 64 83 927 -37 720 23 090 1 00 3 02 O
ATOM 415 OD2 ASP A 64 83 749 -39 014 24 819 1 00 3 02 O
ATOM 416 C ASP A 64 85 688 -35 646 23 408 1 00 3 02 C
ATOM 417 O ASP A 64 85 345 -35 443 22 251 1 00 3 02 O
ATOM 418 N VAL A 65 85 331 -34 861 24 425 1 00 3 02 N
ATOM 419 CA VAL A 65 84 403 -33 715 24 270 1 00 3 02 C
ATOM 420 CB VAL A 65 84 094 -33 044 25 635 1 00 3 02 C
ATOM 421 CGl VAL A 65 83 444 -31 670 25 463 1 00 3 02 C
ATOM 422 CG2 VAL A 65 83 195 -33 937 26 435 1 00 3 02 C
ATOM 423 C VAL A 65 84 887 -32 696 23 226 1 00 3 02 C
ATOM 424 O VAL A 65 84 078 -32 114 22 500 1 00 3 02 O
ATOM 425 N GLU A 66 86 205 -32 501 23 171 1 00 3 02 N
ATOM 426 CA GLU A 66 86 860 -31 827 22 065 1 00 3 02 C
ATOM 427 CB GLU A 66 88 352 -31 652 22 359 1 00 3 02 C
ATOM 428 CG GLU A 66 89 085 -30 733 21 401 1 00 3 02 C
ATOM 429 CD GLU A 66 90 595 -30 697 21 643 1 00 3 02 C
ATOM 430 OEl GLU A 66 91 056 -31 306 22 642 1 00 3 02 O
ATOM 431 OE2 GLU A 66 91 321 -30 070 20 829 1 00 3 02 O
ATOM 432 C GLU A 66 86 616 -32 629 20 781 1 00 3 02 C
ATOM 433 O GLU A 66 85 945 -32 137 19 891 1 00 3 02 O
ATOM 434 N ARG A 67 87 116 33 865 20 712 1 00 3 02 N
ATOM 435 CA ARG A 67 86 978 -34 722 19 519 1 00 3 02 C
ATOM 436 CB ARG A 67 87 504 -36 130 19 784 1 00 3 02 C
ATOM 437 CG ARG A 67 88 996 -36 264 19 688 1 00 3 02 C
ATOM 438 CD ARG A 67 89 368 -37 729 19 838 1 00 3 02 C
ATOM 439 NE ARG A 67 90 809 -37 939 19 919 1 00 3 02 N
ATOM 440 CZ ARG A 67 91 364 -39 059 20 356 1 00 3 02 C
ATOM 441 NHl ARG A 67 90 593 40 062 20 757 1 00 3 02 N
ATOM 442 NH2 ARG A 67 92 684 -39 170 20 402 1 00 3 02 N
ATOM 443 C ARG A 67 85 555 -34 811 18 956 1 00 3 02 C
ATOM 444 O ARG A 67 85 339 -34 598 17 767 1 00 3 02 O
ATOM 445 N CYS A 68 84 589 -35 126 19 812 1 00 3 02 N
ATOM 446 CA CYS A 68 83 201 -35 179 19 394 1 00 3 02 C
ATOM 447 CB CYS A 68 82 317 -35 613 20 557 1 00 3 02 C ATOM 448 SG CYS A 68 82 599 -37 302 21 072 1 00 3 02 S
ATOM 449 C CYS A 68 82 769 -33 821 18 840 1 00 3 02 C
ATOM 150 O CYS A 68 82 186 -33 735 17 764 1 00 3 02 O
ATOM 451 M LE0 A 69 83 084 32 760 19 573 1 00 3 02 N
ATOM 452 CA LEU A 69 82 833 -31 406 19 088 1 00 3 02 C
ATOM 453 CB LEU A 69 83 026 -30 366 20 210 1 00 3 02 C
ATOM 454 CG LEU A 69 82 070 -30 526 21 412 1 00 3 02 C
ATOM 455 CDl LEU A 69 82 278 -29 440 22 451 1 00 3 02 C
ATOM 456 CD2 LEU A 69 80 595 -30 568 20 998 1 00 3 02 C
ATOM 457 C LEU A 69 83 667 -31 109 17 823 1 00 3 02 C
ATOM 458 O LEU A 69 83 099 -30 967 16 738 1 00 3 02 O
ATOM 459 N ARG A 70 84 996 -31 061 17 954 1 00 3 02 N
ATOM 460 CA ARG A 70 85 890 -30 864 16 799 1 00 3 02 C
ATOM 461 CB ARG A 70 87 365 -31 093 17 172 1 00 3 02 C
ATOM 462 CG ARG A 70 87 887 -30 297 18 349 1 00 02 C
ATOM 463 CD ARG A 70 88 198 -28 847 18 009 1 00 02 C
ATOM 464 NE ARG A 70 88 889 -28 152 19 102 1 00 3 02 N
ATOM 465 CZ ARG A 70 88 916 -26 828 19 276 1 00 3 02 C
ATOM 466 NHl ARG A 70 88 296 -26 007 18 422 1 00 3 02 N
ATOM 467 NH2 ARG A 70 89 588 -26 312 20 299 1 00 3 02 N
ATOM 468 C ARG A 70 85 519 -31 737 15 581 1 00 3 02 C
ATOM 469 O ARG A 70 85 215 -31 208 14 503 1 00 3 02 O
ATOM 470 N ALA A 71 85 535 -33 063 15 761 1 00 3 02 N
ATOM 471 CA ALA A 71 85 283 -34 012 14 669 1 00 3 02 C
ATOM 472 CB ALA A 71 85 225 -35 428 15 186 1 00 3 02 C
ATOM 473 C ALA A 71 83 992 -33 685 13 957 1 00 3 02 C
ATOM 474 O ALA A 71 83 906 -33 826 12 737 1 00 3 02 O
ATOM 475 N HIS A 72 82 990 -33 275 14 742 1 00 3 02 N
ATOM 476 CA HIS A 72 81 731 -32 718 14 231 1 00 3 02 C
ATOM 477 CB HIS A 72 80 700 -32 618 15 343 1 00 3 02 C
ATOM 478 CG HIS A 72 79 939 -33 875 15 558 1 00 3 02 C
ATOM 479 NDl HIS A 72 80 230 -34 757 16 573 1 00 3 02 N
ATOM 480 CEl HIS A 72 79 399 -35 779 16 511 1 00 3 02 C
ATOM 481 NE2 HIS A 72 78 585 -35 595 15 487 1 00 3 02 N
ATOM 482 CD2 HIS A 72 78 909 -34 413 14 870 1 00 3 02 C
ATOM 483 C HIS A 72 81 923 -31 331 13 666 1 00 3 02 C
ATOM 484 O HIS A 72 81 310 -30 996 12 652 1 00 3 02 O
ATOM 485 N ARG A 73 82 752 -30 531 14 346 1 00 3 02 N
ATOM 486 CA ARG A 73 83 030 -29 147 13 952 1 00 3 02 C
ATOM 487 CB ARG A 73 84 001 -28 464 14 930 1 00 3 02 C
ATOM 488 CG ARG A 73 83 401 -27 995 16 257 1 00 3 02 C
ATOM 489 CD ARG A 73 84 501 -27 505 17 193 1 00 3 02 C
ATOM 490 NE ARG A 73 83 991 -27 309 18 546 1 00 3 02 N
ATOM 491 CZ ARG A 73 84 634 -26 672 19 526 1 00 3 02 C
ATOM 492 NHl ARG A 73 85 840 26 142 19 334 1 00 3 02 N
ATOM 493 NH2 ARG A 73 84 050 -26 556 20 717 1 00 3 02 N
ATOM 494 C ARG A 73 83 615 -29 096 12 551 1 00 3 02 C
ATOM 495 O ARG A 73 83 096 -28 389 11 677 1 00 3 02 O
ATOM 496 N ASN A 74 84 691 -29 858 12 352 1 00 3 02 N
ATOM 497 CA ASN A 74 85 418 -29 881 11 088 1 00 3 02 C
ATOM 498 CB ASN A 74 86 586 -30 865 11 181 1 00 3 02 C ATOM 499 CG ASN A 74 87 690 -30 390 12 116 1 00 3 02 C
ATOM 500 ODl ASN A Id 88 178 -29 273 11 996 1 00 3 02 O
ATOM 501 ND2 ASN A 74 88 097 -31 247 13 043 1 00 3 02 N
ATOM 502 C ASN A 74 84 519 30 225 9 897 1 00 3 02 Q
ATOM 503 O ASN A 74 84 397 -29 454 8 925 1 00 3 02 O
ATOM 504 N ASP A 75 83 859 -31 371 10 014 1 00 02 N
ATOM 505 CA ASP A 75 82 974 -31 876 8 983 1 00 3 02 C
ATOM 506 CB ASP A 75 82 594 -33 330 9 284 1 00 3 02 C
ATOM 507 CG ASP A 75 83 714 -34 119 9 954 1 00 3 02 C
ATOM 508 ODl ASP A 75 84 837 -33 596 10 082 1 00 3 02 O
ATOM 509 OD2 ASP A 75 83 466 -35 275 10 365 I 00 3 02 O
ATOM 510 C ASP A 75 81 711 -31 004 8 821 1 00 3 02 C
ATOM 511 O ASP A 75 81 084 -30 999 7 748 1 00 3 02 O
ATOM 512 N MET A 76 81 326 -30 291 9 882 1 00 3 02 N
ATOM 513 CA MET A 76 80 267 -29 294 9 778 1 00 3 02 C
ATOM 514 CB MET A 76 79 855 -28 779 11 157 1 00 3 02 C
ATOM 515 CG MET A 76 78 685 -29 526 11 760 1 00 3 02 C
ATOM 516 SD MET A 76 78 081 -28 728 13 253 1 00 3 02 S
ATOM 517 CE MET A 76 76 644 -29 725 13 602 1 00 3 02 C
ATOM 518 C MET A 76 80 722 -28 130 8 906 1 00 3 02 C
ATOM 519 O MET A 76 80 125 -27 855 7 860 1 00 3 02 O
ATOM 520 N GLU A 77 81 812 -27 484 9 329 1 00 3 02 N
ATOM 521 CA GLU A 77 82 260 -26 194 8 757 1 00 3 02 C
ATOM 522 CB GLQ A 77 83 462 -25 614 9 523 1 00 3 02 C
ATOM 523 CG GLU A 77 83 115 -25 214 10 941 1 00 3 02 C
ATOM 524 CD GLU A 77 84 224 -24 505 11 665 1 00 3 02 C
ATOM 525 OEl GLU A 77 85 197 -25 168 12 085 1 00 3 02 O
ATOM 526 OE2 GLU A 77 84 090 -23 281 11 849 1 00 3 02 O
ATOM 527 C GLU A 77 82 535 -26 206 7 256 1 00 3 02 C
ATOM 528 O GLU A 77 81 954 -25 390 6 524 1 00 3 02 O
ATOM 529 N THR A 78 83 405 -27 118 6 803 1 00 3 02 N
ATOM 530 CA THR A 78 83 695 -27 224 5 370 1 00 3 02 C
ATOM 531 CB THR A 78 84 798 -28 247 5 041 1 00 3 02 C
ATOM 532 OGl THR A 78 86 011 -27 541 4 720 1 00 3 02 O
ATOM 533 CG2 THR A 78 84 401 -29 121 3 836 1 00 3 02 C
ATOM 534 C THR A 78 82 468 -27 534 4 544 1 00 3 02 C
ATOM 535 O THR A 78 82 200 -26 876 3 533 1 00 3 02 O
ATOM 536 N ILE A 79 8i 710 -28 519 5 002 1 00 3 02 N
ATOM 537 CA ILE A 79 80 718 -29 157 4 152 1 00 3 02 C
ATOM 538 CB ILE A 79 80 007 -30 348 4 871 1 00 3 02 C
ATOM 539 CGl ILE A 79 79 900 -31 535 3 921 1 00 3 02 C
ATOM 540 CDl ILE A 79 80 424 -32 814 4 485 1 00 3 02 C
ATOM 541 CG2 ILE A 79 78 697 -29 936 5 487 1 00 3 02 C
ATOM 542 0 ILE A 79 79 821 -28 149 3 416 1 00 3 02 C
ATOM 543 O ILE A 79 79 835 28 120 2 197 1 00 3 02 O
ATOM 544 N TYR A 80 79 126 -27 275 4 130 1 00 3 02 N
ATOM 545 CA TYR A 80 78 161 -26 359 3 491 1 00 3 02 C
ATOM 546 CB TYR A 80 77 422 -25 533 4 546 1 00 3 02 C
ATOM 547 CG TYR A 80 77 337 26 225 5 896 1 00 3 02 C
ATOM 548 CDl TYR A 80 78 078 -25 755 6 988 1 00 3 02 C
ATOM 549 CEl TYR A 80 77 998 -26 387 8 231 1 00 3 02 C ATOM 550 CZ TYR A 80 77 182 -27 502 8 379 1 00 3 02 C
ATOM 551 OH TYR A 80 77 096 -28 129 9 596 1 00 3 02 O
ATOM 552 CE2 TYR A 80 76 450 -27 982 7 308 1 00 3 02 C
ATOM 553 CD2 TYR A 80 76 525 -27 352 6 080 1 00 3 02 C
ATOM 554 C TYR A 80 78 722 -25 480 2 344 1 00 3 02 C
ATOM 555 O TYR A 80 78 198 -25 564 1 227 1 00 3 02 O
ATOM 556 N PRO A 81 79 753 -24 617 2 620 1 00 3 02 N
ATOM 557 CA PRO A 81 80 571 -23 941 1 582 1 00 3 02 C
ATOM 558 CB PRO A 81 81 869 -23 554 2 333 1 00 3 02 C
ATOM 559 CG PRO A 81 81 644 -23 857 3 780 1 00 3 02 C
ATOM 560 CD PRO A 81 80 168 -24 151 3 961 1 00 3 02 C
ATOM 561 C PRO A 81 80 933 -24 806 0 374 1 00 3 02 C
ATOM 562 O PRO A 81 80 897 -24 339 -0 758 1 00 3 02 O
ATOM 563 N PHE A 82 81 291 -26 057 0 618 1 00 3 02 N
ATOM 564 CA PHE A 82 81 599 26 964 0 473 1 00 3 02 C
ATOM 565 CB PHE A 82 82 564 -28 030 -0 013 1 00 3 02 C
ATOM 566 CG PHE A 82 83 159 -28 778 -1 131 1 00 3 02 C
ATOM 567 CDl PHE A 82 84 074 -28 163 -1 969 1 00 3 02 C
ATOM 568 CEl PHE A 82 84 625 -28 833 -3 013 1 00 3 02 C
ATOM 569 CZ PHE A 82 84 245 -30 145 -3 269 1 00 3 02 C
ATOM 570 CE2 PHE A 82 83 305 -30 776 -2 460 1 00 3 02 C
ATOM 571 CD2 PHE A 82 82 760 -30 081 -1 397 1 00 3 02 C
ATOM 572 C PHE A 82 80 369 -27 641 -1 086 1 00 3 02 C
ATOM 573 O PHE A 82 80 408 -28 140 -2 221 1 00 3 02 O
ATOM 574 N LEU A 83 79 284 -27 686 -0 320 1 00 3 02 N
ATOM 575 CA LEU A 83 78 045 -28 231 -0 823 1 00 3 02 C
ATOM 576 CB LEU A 83 7777 110055 --2288 666677 0 308 1 00 3 02 C
ATOM 577 CG LEU A 83 7 777 668877 --2299 444400 1 501 1 00 3 02 C
ATOM 578 CDl LEU A 83 7 766 661144 --3300 117799 2 321 1 00 3 02 C
ATOM 579 CD2 LEU A 83 7 788 884477 --3300 336677 1 097 1 00 3 02 C
ATOM 580 C LEU A 83 7 777 441144 --2277 116655 -1 690 11 0000 33 0022 C
ATOM 581 O LEU A 83 77 633 -27 140 2 900 1 00 3 02 O
ATOM 582 N PHE A 84 76 703 -26 241 -1 057 1 00 3 02 N
ATOM 583 CA PHE A 84 75 857 -25 274 -1 761 1 00 3 02 C
ATOM 584 CB PHE A 84 75 000 -24 495 -0 739 1 00 3 02 C
ATOM 585 CG PHE A 84 74 888 -23 006 -0 993 1 00 3 02 C
ATOM 586 CDl PHE A 84 73 817 -22 300 -0 478 1 00 3 02 C
ATOM 587 CEl PHE A 84 73 701 -20 945 -0 685 1 00 3 02 C
ATOM 588 CZ PHE A 84 74 667 -20 287 -1 415 1 00 3 02 C
ATOM 589 CE2 PHE A 84 75 734 -20 979 -1 933 1 00 3 02 C
ATOM 590 CD2 PHE A 84 75 843 -22 314 -1 712 1 00 3 02 C
ATOM 591 C PHE A 84 76 557 24 372 2 788 1 00 3 02 C
ATOM 592 O PHE A 84 76 043 -24 223 -3 901 1 00 3 02 O
ATOM 593 N LEU A 85 77 709 -23 784 -2 434 1 00 3 02 N
ATOM 594 CA LEU A 85 78 415 -22 858 -3 348 1 00 3 02 C
ATOM 595 CB LEU A 85 79 734 -22 345 -2 762 1 00 3 02 C
ATOM 596 CG LEU A 85 79 689 -21 503 -1 486 1 00 3 02 C
ATOM 597 CDl LEO A 85 81 085 -21 208 -1 015 1 00 3 02
ATOM 598 CD2 LEU A 85 78 956 -20 205 -1 718 1 00 3 02
ATOM 599 C LEU A 85 78 654 -23 568 -4 657 1 00 3 02
ATOM 600 O LEU A 85 78 272 -23 066 -5 721 1 00 3 02 ATOM 601 N GLY A 86 79 259 -24 752 -4 552 1 00 3 02
ATOM 602 CA GLY A 86 79 351 -25 678 -5 659 1 00 3 02
ATOM 603 C GLY A 86 77 979 -25 965 -6 226 1 00 3 02
ATOM 604 O GLY A 86 77 724 -25 648 -7 380 1 00 3 02
ATOM 605 N PHE A 87 77 086 -26 522 -5 402 1 00 3 02
ATOM 606 CA PHE A 87 75 812 -27 099 -5 863 1 00 3 02
ATOM 607 CB PHE A 87 75 005 27 642 4 680 1 00 3 02
ATOM 608 CG PHE A 87 75 402 -29 037 -4 262 1 00 3 02
ATOM 609 CDl PHE A 87 76 337 -29 235 -3 270 1 00 3 02
ATOM 610 CEl PHE A 87 76 715 -30 511 872 1 00 3 02
ATOM 611 CZ PHE A 87 76 155 -31 609 ~3 468 1 00 3 02 C
ATOM 612 CE2 PHE A 87 75 213 -31 430 -4 469 1 00 3 02 C
ATOM 613 CD2 PHE A 87 74 837 -30 149 -4 860 1 00 3 02 C
ATOM 614 PHE A 87 74 952 -26 184 -6 729 1 00 3 02 C
ATOM 615 O PHE A 87 74 519 -26 573 -7 813 1 00 3 02 O
ATOM 616 N VAL A 88 74 720 -24 966 -6 251 1 00 3 02 N
ATOM 617 CA VAL A 88 73 943 23 965 7 002 1 00 02 C
ATOM 618 CB VAL A 88 73 456 -22 813 -6 107 1 00 3 02 C
ATOM 619 CGl VAL A 88 72 151 -22 222 -6 661 1 00 3 02 C
ATOM 620 CG2 VAL A 88 73 303 -23 279 -4 672 1 00 3 02 C
ATOM 621 C VAL A 88 74 732 -23 370 -8 173 1 00 3 02 C
ATOM 622 O VAL A 88 74 215 -22 560 -8 950 1 00 3 02 O
ATOM 623 N TYR A 89 75 991 -23 765 -8 270 1 00 3 02 N
ATOM 624 CA TYR A 89 76 809 23 499 9 430 1 00 3 02 C
ATOM 625 CB TYR A 89 78 214 -23 123 -8 957 1 00 3 02 C
ATOM 626 CG TYR A 89 79 372 -23 876 -9 570 1 00 3 02 C
ATOM 627 CDl TYR A 89 80 095 -23 326 -10 616 1 00 3 02 C
ATOM 628 CEl TYR A 89 81 170 -24 000 -11 170 1 00 3 02 C
ATOM 629 CZ TYR A 89 8. 528 -25 232 -10 675 1 00 3 02 C
ATOM 630 OH TYR A 89 82 592 -25 892 -11 238 1 00 3 02 O
ATOM 631 CE2 TYR A 89 80 826 -25 795 -9 628 1 00 3 02 C
ATOM 632 CD2 TYR A 89 79 766 -25 114 -9 077 1 00 3 02 C
ATOM 633 C TYR A 89 76 805 -24 736 -10 318 1 00 3 02 C
ATOM 634 O TYR A 89 77 010 24 646 11 527 1 00 3 02 O
ATOM 635 N SER A 90 76 520 -25 877 -9 698 1 00 3 02 N
ATOM 636 CA SER A 90 76 677 -27 177 -10 334 1 00 3 02 C
ATOM 637 CB SER A 90 76 903 -28 252 -9 274 1 00 3 02 C
ATOM 638 OG SER A 90 75 698 -28 755 -8 736 1 00 3 02 O
ATOM 639 C SER A 90 75 504 -27 529 -11 234 1 00 3 02 C
ATOM 640 O SER A 90 75 644 -28 338 -12 157 1 00 3 02 O
ATOM 641 N PHE A 91 74 358 26 912 io 958 1 00 3 02 N
ATOM 642 CA PHE A 91 73 178 -27 057 -11 800 1 00 3 02 C
ATOM 643 CB PHE A 91 71 941 -27 374 -10 941 1 00 3 02 C
ATOM 644 CG PHE A 91 72 139 -28 532 -9 967 1 00 3 02 C
ATOM 645 CDl PHE A 91 72 250 -28 297 -8 596 1 00 3 02 C
ATOM 646 CEl PHE A 91 72 424 -29 355 694 1 00 3 02 C
ATOM 647 CZ PHE A 91 72 495 -30 659 -8 162 1 00 3 02 C
ATOM 648 CE2 PHE A 91 72 384 30 909 -9 529 1 00 3 02 C
ATOM 649 CD2 PHE A 91 72 206 -29 850 -10 423 1 00 3 02 C
ATOM 650 £ PHE A 91 73 019 -25 778 -12 646 1 00 3 02 C
ATOM 651 O PHE A 91 72 066 -24 998 -12 479 1 00 3 02 O ATOM 652 N LEO A 92 73 991 -25 579 -13 544 i1 o0o0 33 0022
ATOM 653 CA LEU A 92 74 137 -24 361 - 4 358 11 0000 33 0021
ATOM 654 CB LEU A 92 74 707 -23 215 -13 506 11 0000 33 0022
ATOM 655 CG LEU A 92 74 812 21 785 14 072 11 0000 33 0022
ATOM 656 CDl LEU A 92 73 495 -2i 024 -13 981 11 0000 33 0022
ATOM 657 CD2 LEO A 92 75 910 -21 009 -13 355 1 00 3 02
ATOM 658 C LEU A 92 75 025 -24 584 -15 597 11 0000 33 0022 C
ATOM 659 O LEU A 92 75 063 -23 750 -16 494 11 0000 33 0022 O
ATOM 660 N GLY A 93 75 741 -25 706 -15 637 11 0000 33 0052 N
ATOM 661 CA GLY A 93 76 571 -26 085 -16 792 11 0000 33 0022 C
ATOM 662 C GLY A 93 78 052 -25 764 -16 647 11 0000 33 0022 C
ATOM 663 O GLY A 93 78 674 -25 244 -17 582 11 0000 33 0022 O
ATOM 664 N PRO A 94 78 646 -26 106 -15 486 11 0000 33 0022 N
ATOM 665 CA PRO A 94 79 987 -25 641 -15 143 11 0000 33 0022 C
ATOM 666 CB PRO A 94 80 009 -25 723 -13 612 1 00 3 02 C
ATOM 667 CG PRO A 94 78 773 -26 476 -13 210 11 0000 33 0022 C
ATOM 668 CD PRO A 94 78 110 -26 992 -14 440 11 0000 33 0022 C
ATOM 669 C PRO A 94 81 113 -26 481 -15 754 11 0000 33 0022 C
ATOM 670 O PRO A 94 80 869 -27 324 -16 621 11 0000 33 0022 O
ATOM 671 N ASN A 95 82 340 -26 252 -15 300 11 0000 33 0022 N
ATOM 672 CA PSN A 95 83 496 26 852 -15 936 11 0000 33 0022 C
ATOM 673 CB ASN A 95 84 511 -25 774 -16 325 11 0000 333 000222 C
ATOM 674 CG ASN A 95 84 090 -24 982 -17 560 11 0000 333 000222 C
ATOM 675 ODl ASN A 95 83 321 -25 461 -18 400 11 0000 333 000222 O
ATOM 676 ND2 ASN A 95 84 605 -23 762 -17 675 1 1 0000 333 000222 N
ATOM 677 C ASN A 95 84 151 -27 958 -15 115 1 1 0000 333 000222 C
ATOM 678 O ASN A 95 84 090 -27 927 -13 880 1 1 0000 333 000222 O
ATOM 679 N PRO A 96 84 741 -28 963 -15 816 11 0000 33 0022 N
ATOM 680 CA PRO A 96 85 509 -30 097 -15 294 11 0000 33 0022 C
ATOM 681 CB PRO A 96 86 040 -30 771 -16 565 11 0000 33 0022 C
ATOM 682 CG PRO A 96 85 872 29 767 -17 648 11 0000 33 0022 C
ATOM 683 CD PRO A 96 84 634 -29 056 -17 283 11 0000 33 0022 C
ATOM 684 C PRO A 96 86 664 -29 698 -14 374 11 0000 33 0022 C
ATOM 685 O PRO A 96 86 407 -29 223 -13 271 11 0000 33 0022 O
ATOM 686 N PHE A 97 87 910 -29 888 -14 819 11 0000 33 0022 N
ATOM 687 CA PHE A 97 89 114 -29 679 -13 990 11 0000 33 0022 C
ATOM 688 CB PHE A 97 90 199 -28 937 -14 770 1 00 3 02 C
ATOM 689 CG PHE A 97 90 337 -29 360 -16 201 1 00 3 02 C
ATOM 690 CDl PHE A 97 89 580 -28 754 -17 190 1 00 33 0022 C
ATOM 691 CEl PHE A 97 89 719 -29 119 -18 509 11 0000 33 0022 C
ATOM 692 CZ PHE A 97 90 630 -30 096 -18 862 11 0000 33 0022 C
ATOM 693 CE2 PHE A 97 91 405 -30 705 -17 887 11 0000 33 0022 C
ATOM 694 CD2 PHE A 97 91 257 -30 334 -16 563 i 0000 33 0022 C
ATOM 695 C PHE A 97 88 828 -28 877 -12 731 1 00 33 0022 C
ATOM 696 O PHE A 97 89 097 -29 327 11 609 1 00 33 0022 O
ATOM 697 N VAL A 98 88 292 -27 676 -12 976 11 0000 33 0022 N
ATOM 698 CA VAL A 98 87 843 -26 687 -11 990 11 0000 33 0022 C
ATOM 699 CB VAL A 98 86 920 -25 636 -12 696 1 00 33 0022 C
ATOM 700 CGl VAL A 98 86 203 -24 749 -11 698 11 0000 33 0022 C
ATOM 701 CG2 VAL A 98 87 716 -24 794 -13 693 11 0000 33 0022 C
ATOM 702 C VAL A 98 87 147 -27 320 -10 779 1 00 3 02 ATOM 703 O VAL A 98 87 584 -27 161 -9 637 1.00 3 02 O
ATOM 704 N ALA A 99 86 .069 -28 042 -11 .041 1 00 3 02 N
ATOM 705 CA ALA A 99 85 .323 -28 705 -9 .994 1 .00 3 02 C
ATOM 706 CB ALA A 99 84 .118 -29 423 -10 593 1 .00 3 02 C
ATOM 707 C ALA A 99 86 206 -29 679 -9 209 1 00 3 02
ATOM 708 O ALA A 99 86 .306 -29 580 -7 .985 1 .00 3 02 O
ATOM 709 N TRP A 100 86 .846 -30 .604 -9 .931 1 .00 3 02 N
ATOM 710 CA TRP A 100 87 .661 -31 .691 -9 .359 1 .00 3 .02
ATOM 711 CB TRP A ioo 88 379 -32 .466 -10 .461 1 .00 3 .02 C
ATOM 712 CG TRP A 100 87 .510 -33 .183 -11 .409 1 00 3 .02 C
ATOM 713 CDl TRP A 100 87 .093 -32 .743 -12 .628 1 00 3 .02 C
ATOM 714 NEl TRP A 100 86 317 -33 696 -13 233 1 00 3 02 N
ATOM 715 CE2 TRP A ioo 86 226 -34 .788 -12 .407 1 00 3 .02 C
ATOM 716 CD2 TRP A 100 86 979 -34 .497 11 .248 1 00 3 .02 C
ATOM 717 CE3 TRP A 100 87 059 -35 461 -10 .231 1 00 3 .02 C
ATOM 718 CZ3 TRP A ioo 86 381 -36 .679 -10 .400 1 00 3 02 C
ATOM 719 CH2 TRP A 100 85 639 -36 .939 -11 .569 1 00 3 .02 C
ATOM 720 CZ2 TRP A 100 85 547 -36 .011 -12 .581 1 00 3 .02 C
ATOM 721 C TRP A 100 88 691 -31 236 -8 327 1 00 3 02 C
ATOM 722 O TRP A 100 88 879 -31 .922 -7 .316 1 00 3 .02 O
ATOM 723 N MET A ioi 89 354 -30 .101 8 .599 1 00 3 .02 N
ATOM 724 CA MET A 101 90 364 -29 516 -7 693 1 00 3 02 C
ATOM 725 CB MET A 101 91 137 -28 .363 -8 350 1 .00 3 02 C
ATOM 726 CG MET A 101 91 433 -28. .462 -9 .861 1 00 3 .02 C
ATOM 727 SD MET A 101 91 .700 -26 .792 -10 .592 1 .00 3 02 S
ATOM 728 CE MET A 101 93 .349 -26. .422 -9 .973 1 .00 3 .02 C
ATOM 729 C MET A 101 89 .798 -28. .997 -6 360 1 .00 3 .02 C
ATOM 730 O MET A 101 90 .566 -28, .837 -5 415 1. .00 3. .02 O
ATOM 731 N HIS A 102 88 .488 -28 704 -6 299 1 00 3 02 N
ATOM 732 CA HIS A 102 87 .812 -28. .300 -5 050 1. .00 3. .02 C
ATOM 733 CB HIS A 102 86 415 -27 720 -5 299 1 00 3. .02 C
ATOM 734 CG HIS A 102 86 381 -26 515 -6 179 1. 00 3. 02 C
ATOM 735 NDl HIS A 102 87. .307 -25. 500 -6 096 1. 00 3. 02 N
ATOM 736 CBl HIS A 102 87. .009 -24. 562 -6 977 1. 00 3. 02 C
ATOM 737 NE2 HIS A 102 85. 913 -24. 926 -7 617 1. 00 3. 02 N
ATOM 738 CD2 HIS A 102 85. 497 -26. 141 -7 132 1. 00 3. 02 C
ATOM 739 C HIS A 102 87 645 -29. 489 -4 116 1. 00 3. 02 C
ATOM 740 O HIS A 102 87. 759 -29. 361 -2. 908 1. 00 3. 02 O
ATOM 741 N PHE A 103 87 327 -30 642 -4 687 1 00 3 02 N
ATOM 742 CA PHE A 103 87. 214 -31 885 -3. 927 1. 00 3. 02 C
ATOM 743 CB PHE A 103 86. 638 -32. 994 -4 817 1. 00 3. 02 C
ATOM 744 CG PHE A 103 85 532 -32 519 -5. 715 1. 00 3. 02 C
ATOM 745 CDl PHE A 103 85. 732 -32 368 -7. 079 1 00 3 02 C
ATOM 746 CEl PHE A 103 84 696 -31 911 -7 909 1. 00 3 02 C
ATOM 747 CZ PHE A 103 83 471 -31 588 -7. 369 1. 00 3 02 C
ATOM 748 CE2 PHE A 103 83 264 -31 723 -6 005 1 00 3 02 C
ATOM 749 CD2 PHE A 103 84. 290 -32 187 -5. 189 1. 00 3 02 C
ATOM 750 C PHE A 103 88. 572 -32 297 -3. 385 1. 00 3 02 (2
ATOM 751 O PHE A 103 88 654 -32 994 -2 375 1. 00 3 02 O
ATOM 752 N LEU A 104 89. 626 -31 864 -4 076 1 00 3 02 N
ATOM 753 CA LEU A 104 91 004 -32 084 -3 657 1. 00 3 02 C ATOM 754 CB LEU A 104 91 913 -32 202 890 1 00 3 02
ATOM 755 CG LEU A 104 91 779 -33 488 -5 719 1 00 3 02
ATOM 756 CDl LEU A 104 92 253 -33 340 -7 165 T 00 3 02
ATOM 757 CD2 LEO A 104 92 522 -34 636 -5 039 1 00 3 02
ATOM 758 C LEU A 104 91 484 -30 995 -2 668 1 00 3 02
ATOM 759 O LEU A 104 92 245 -31 284 -1 744 1 00 3 02
ATOM 760 N VAL A 105 91 025 -29 754 -2 843 1 00 3 02
ATOM 761 CA VAL A 105 91 338 -28 696 —1 870 1 00 3 02
ATOM 762 CB VAL A 105 91 285 -27 249 -2 443 1 00 3 02
ATOM 763 CGl VAL A 105 92 139 -26 332 -1 579 1 00 3 02 C
ATOM 764 CG2 VAL A 105 91 797 -27 190 —~λ 873 1 00 3 02 C
ATOM 765 C VAL A 105 90 466 -28 768 -0 609 1 00 3 02 C
ATOM 766 O VAL A 105 90 933 -28 466 0 489 1 00 3 02 O
ATOM 767 N PHE A 106 89 203 29 151 -0 763 1 00 3 02 N
ATOM 768 CA PHE A 106 88 294 -29 225 0 379 1 00 3 02 C
ATOM 769 CB PHE A 106 86 833 -29 120 -0 060 1 00 3 02 C
ATOM 770 CG PHE A 106 86 331 -27 716 -0 105 1 00 3 02 C
ATOM 771 CDl PHE A 106 86 670 -26 874 -1 158 1 00 3 02 C
ATOM 772 CEl PHE A 106 86 205 -25 561 -1 193 1 00 3 02 C
ATOM 773 CZ PHE A 106 85 407 -25 066 -0 155 1 00 3 02 C
ATOM 774 CE2 PHE A 106 85 074 25 891 0 906 1 00 3 02 C
ATOM 775 CD2 PHE A 106 85 542 -27 217 0 928 1 00 3 02 C
ATOM 776 C PHE A 106 88 519 -30 459 τ_ 232 1 00 3 02 C
ATOM 111 O PHE A 106 88 843 -30 342 2 411 1 00 3 02 O
ATOM 778 N LEU A 107 88 344 -31 635 0 633 1 00 3 02 N
ATOM 779 CA LEU A 107 88 523 -32 904 1 339 \ 00 3 02 C
ATOM 780 CB LEU A 107 88 129 -34 082 0 450 1 00 3 02 C
ATOM 781 CG LEU A 107 86 622 -34 245 0 299 1 00 3 02 C
ATOM 782 CDl LEU A 107 86 290 -34 794 -1 067 1 00 3 02 C
ATOM 783 CD2 LEU A 107 86 083 -35 145 1 399 1 00 3 02 C
ATOM 784 C LEU A 107 89 942 33 082 1 886 1 00 3 02 C
ATOM 785 O LEU A 107 90 112 -33 574 3 002 1 00 3 02 O
ATOM 786 N VAL A 108 90 954 -32 673 1 122 1 00 3 02 N
ATOM 787 CA VAL A 108 92 328 -32 733 1 628 1 00 3 02 C
ATOM 788 CB VAL A 108 93 383 —32 908 0 494 1 00 3 02 C
ATOM 789 CGl VAL A 108 94 792 -33 041 1 080 1 00 3 02 C
ATOM 790 CG2 VAL A 108 93 060 -34 145 -0 366 1 00 3 02
ATOM 791 C VAL A 108 92 637 -31 521 2 525 1 00 3 02 C
ATOM 792 O VAL A 108 93 366 -31 637 3 520 1 00 3 02 O
ATOM 793 N GLY A 109 92 066 -30 370 2 174 1 00 3 02 N
ATOM 794 CA GLY A 109 92 165 -29 169 3 006 1 00 3 02 C
ATOM 795 C GLY A 109 91 515 -29 398 4 358 1 00 3 02 C
ATOM 796 O GLY A 109 92 030 -28 959 5 394 1 00 3 02 O
ATOM 797 N ARG A 110 90 384 -30 089 4 366 1 00 3 02 N
ATOM 798 CA ARG A UO 89 730 -30 384 5 632 1 00 3 02 C
ATOM 799 CB ARG A 110 88 220 -30 635 5 459 1 00 3 02 C
ATOM 800 CG ARG A 110 87 423 -30 258 6 689 1 00 3 02 C
ATOM 801 CD ARG A 110 87 629 -28 775 6 990 1 00 3 02 C
ATOM 802 NE ARG A no 87 038 -28 347 8 255 1 00 3 02 N
ATOM 803 CZ ARG A HO 86 574 -27 126 8 489 1 00 3 02 C
ATOM 804 NHl ARG A 110 86 613 -26 198 7 534 1 00 3 02 N ATOM 805 NH2 ARG A 110 86 059 -26 848 9 677 1 00 3 02 N
ATOM 806 C ARG A 110 90 400 -31 508 6 438 1 00 3 02 C
ATOM 807 O ARG A 110 90 612 -31 342 7 629 1 00 3 02 O
ATOM 808 N VAL A 111 90 730 -32 634 5 802 1 00 3 02 N
ATOM 809 CA VAL A 111 91 124 -33 848 6 546 1 00 3 02 C
ATOM 810 CB VAL A 111 91 089 -35 142 5 658 1 00 3 02 C
ATOM 811 CGl VAL A 111 9i 870 -36 312 6 301 1 00 3 02 C
ATOM 812 CG2 VAL A 111 89 643 -35 561 5 346 1 00 3 02 C
ATOM 813 C VAL A 111 92 459 -33 692 7 276 1 00 3 02 C
ATOM 814 O VAL A 111 92 603 -34 132 8 421 1 00 3 02 O
ATOM 815 N ALA A 112 93 420 33 059 6 605 1 00 3 02 N
ATOM 816 CA ALA A 112 94 648 -32 600 7 250 1 00 3 02 C
ATOM 817 CB ALA A 112 95 635 -32 142 6 213 1 00 3 02 C
ATOM 818 C ALA A 112 94 335 -31 478 8 269 1 00 3 02 C
ATOM 819 O ALA A 112 95 086 -31 279 9 252 1 00 3 02 O
ATOM 820 N HIS A 113 93 234 -30 750 8 051 1 00 3 02 N
ATOM 821 CA HIS A 113 92 693 -29 877 9 093 1 00 3 02 C
ATOM 822 CB HIS A 113 91 674 -28 891 8 537 1 00 3 02 C
ATOM 823 CG HIS A 113 90 985 -28 116 9 604 1 00 3 02 C
ATOM 824 NDl HIS A 113 91 656 -27 272 io 465 1 00 ^ 02 N
ATOM 825 CEl HIS A 113 90 795 -26 739 11 312 1 00 02 C
ATOM 826 NE2 HIS A 113 89 595 -27 218 11 040 1 00 3 02 N
ATOM 827 CD2 HIS A 113 89 690 -28 087 9 981 1 00 3 02 C
ATOM 828 C HIS A 113 92 063 -30 641 io 265 1 00 3 02 C
ATOM 829 O HIS A 113 92 381 -30 366 11 433 1 00 3 02 O
ATOM 830 N THR A 114 91 173 -31 586 9 946 1 00 3 02 N
ATOM 831 CA THR A 114 90 450 -32 366 10 953 1 00 3 02 C
ATOM 832 CB THR A 114 89 320 -33 259 10 317 1 00 3 02 C
ATOM 833 OGl THR A 114 88 409 -32 450 9 555 1 00 3 02 O
ATOM 834 CG2 THR A 114 88 528 -34 022 11 381 1 00 3 02 C
ATOM 835 C THR A 114 91 118 -33 220 11 765 1 00 3 02 C
ATOM 836 O THR A 114 91 443 -33 149 12 989 1 00 3 02 O
ATOM 837 N VA^ A 115 92 221 -34 017 11 081 1 00 3 02 N
ATOM 838 CA VAL A 115 93 081 -34 980 11 766 1 00 3 02 C
ATOM 839 CB VAL A 115 93 667 -36 015 10 763 1 00 3 02 C
ATOM 840 CGl VAL A 115 94 878 -36 731 11 332 1 00 3 02 C
ATOM 841 CG2 VAL A 115 92 580 -37 009 10 362 1 00 3 02 C
ATOM 842 C VAL A 115 94 160 34 331 12 666 1 00 3 02 C
ATOM 843 O VAL A 115 94 461 -34 834 13 762 1 00 3 02 O
ATOM 844 N ALA A 116 94 728 -33 214 12 218 1 00 3 02 N
ATOM 845 CA ALA A 116 95 750 -32 540 13 002 1 00 3 02 C
ATOM 846 CB ALA A 116 96 390 -31 438 12 198 1 00 3 02 C
ATOM 847 C ALA A 116 95 147 -32 005 14 299 1 00 3 02 C
ATOM 848 O ALA A 116 95 764 -32 087 15 363 1 00 3 02 O
ATOM 849 N TYR A 117 93 919 31 494 14 197 1 00 3 02 N
ATOM 850 CA TYR A 117 93 184 -30 893 15 322 1 00 3 02 C
ATOM 851 CB TYR A 117 92 157 -29 888 14 780 1 00 3 02 C
ATOM 852 CG TYR A 117 91 810 -28 745 15 719 1 00 3 02 C
ATOM 853 CDl TYR A 117 92 365 -28 653 16 993 1 00 3 02
ATOM 854 CEl TYR A 117 92 027 -27 620 17 840 1 00 3 02 C
ATOM 855 CZ TYR A 117 91 138 -26 658 17 421 1 00 3 02 C ATOM 856 OH TYR A 117 90 802 -25 621 18 258 1 00 3 02 O
ATOM 857 CE2 TYR A 117 90 570 -26 729 16 176 1 00 3 02 C
ATOM 858 CD2 TYR A 117 90 900 -27 768 15 336 1 00 3 02 C
ATOM 859 TYR A 117 92 481 -31 908 16 267 1 00 3 02 C
ATOM 860 O TYR A 117 91 841 -31 524 17 260 1 00 3 02 O
ATOM 861 N LEU A 118 92 581 -33 195 15 960 1 00 3 02 N
ATOM 862 CA LEU A 1±8 92 011 -34 195 16 840 1 00 3 02 C
ATOM 863 CB LEO A 118 91 313 -35 294 16 032 1 00 3 02 C
ATOM 864 CG LEU A 118 90 000 -34 990 15 284 1 00 3 02 C
ATOM 865 CDl LEU A 118 89 726 -36 093 14 283 1 00 3 02 C
ATOM 866 CD2 LEU A 118 88 799 -34 820 16 216 1 00 3 02 C
ATOM 867 C LEU A 118 93 071 -34 767 17 781 1 00 3 02 C
ATOM 868 O LEU A 118 92 862 -34 807 18 992 1 00 3 02 O
ATOM 869 N GLY A 119 94 204 35 190 17 215 1 00 3 02 N
ATOM 870 CA GLY A 119 95 325 -35 749 17 980 1 00 3 02
ATOM 871 C GLY A 119 95 945 -34 733 18 920 1 00 3 02
ATOM 872 O GLY A 119 95 473 -34 562 20 056 1 00 3 02 O
ATOM 873 N LYS A 120 96 992 -34 046 18 448 1 00 3 02 N
ATOM 874 CA LYS A 120 97 614 -32 979 19 235 1 00 3 02 C
ATOM 875 CB LYS A 120 98 639 -32 171 18 429 1 00 3 02 C
ATOM 876 CG LYS A 120 100 098 32 524 18 700 1 00 3 02 C
ATOM 877 CD LYS A 120 101 018 -31 456 18 070 1 00 3 02 C
ATOM 878 CE LYS A 120 102 526 -31 758 18 182 1 00 3 02 C
ATOM 879 NZ LYS A 120 103 337 -30 917 17 239 1 00 3 02 N
ATOM 880 C LYS A 120 96 468 -32 104 19 701 1 00 3 02 C
ATOM 881 O LYS A 120 95 602 -31 733 18 895 1 00 3 02 O
ATOM 882 N LEU A 121 96 444 -31 826 21 008 1 00 3 02 N
ATOM 883 CA LEU A 121 95 315 -31 141 21 662 1 00 3 02 C
ATOM 884 CB LEU A 121 95 428 -31 249 23 193 1 00 3 02 C
ATOM 885 CG LEU A 121 95 799 -32 558 23 893 1 00 3 02 C
ATOM 886 CDl LEU A 121 95 558 32 386 25 373 1 00 3 02 C
ATOM 887 CD2 LEU A 121 94 995 -33 742 23 349 1 00 3 02 C
ATOM 888 C LEU A 121 95 209 -29 670 21 267 1 00 3 02 C
ATOM 889 O LEU A 121 94 1 3 -29 097 21 246 1 00 3 02 O
ATOM 890 N ARG A 122 96 367 -29 099 20 944 1 00 3 02 N
ATOM 891 CA ARG A 122 96 544 -27 666 20 800 1 00 3 02 C
ATOM 892 CB ARG A 122 98 034 -27 338 20 825 1 00 3 02 C
ATOM 893 CG ARG A 122 98 652 -27 474 22 203 1 00 3 02 C
ATOM 894 CD ARG A 122 100 060 -26 983 22 201 1 00 3 02 C
ATOM 895 NE ARG A 122 100 335 -26 181 23 387 1 00 3 02 N
ATOM 896 CZ ARG A 122 100 799 -26 652 24 546 1 00 3 02 C
ATOM 897 NHl ARG A 122 ioi 042 -27 949 24 714 1 00 3 02 N
ATOM 898 NH2 ARG A 122 101 020 -25 816 25 548 1 00 3 02 N
ATOM 899 C ARG A 122 95 891 -27 094 19 558 1 00 3 02 C
ATOM 900 O ARG A 122 96 136 -27 579 18 455 1 00 3 02 O
ATOM 901 N ALA A 123 95 066 -26 059 19 757 1 00 3 02 N
ATOM 902 CA ALA A 123 94 323 -25 406 18 666 1 00 3 02 C
ATOM 903 CB ALA A 123 93 312 -24 411 19 203 1 00 3 02 C
ATOM 904 C ALA A 123 95 206 -24 743 17 616 1 00 3 02 C
ATOM 905 O ALA A 123 94 823 -24 703 16 445 1 00 3 02 O
ATOM 906 N PRO A 124 96 387 -24 212 18 026 1 00 3 02 N ATOM 907 CA PRO A 124 97 310 -23 666 17 039 1 00 3 02 C
ATOM 908 CB PRO A 124 98 569 -23 360 17 860 1 00 3 02 C
ATOM 909 CG DRO A 124 98 403 -24 100 19 127 1 00 3 02 C
ATOM 910 CD PRO A 124 96 939 -2Δ 058 19 383 00 3 02 C
ATOM 911 C PRO A 124 97 649 -24 644 15 927 1 00 3 02 C
ATOM 912 O PRO A 124 97 854 -24 205 14 802 1 00 3 02 O
ATOM 913 N ILE A 125 97 708 -25 948 16 229 1 00 3 02 N
ATOM 914 CA ILE A 125 97 944 -26 962 15 175 1 00 3 02 C
ATOM 915 CB ILE A 125 97 992 -28 426 15 704 1 00 3 02 C
ATOM 916 CGl ILE A 125 98 901 -29 270 14 790 1 00 3 02 C
ATOM 917 CDl ILE A 125 98 796 30 823 14 965 1 00 3 02 C
ATOM 918 CG2 ILE A 125 96 573 -29 001 15 867 1 00 3 02 C
ATOM 919 C ILE A 125 96 929 -26 833 14 016 1 00 3 02 C
ATOM 920 O ILE A 125 97 264 -27 127 12 850 I 00 3 02 O
ATOM 921 N ARG A 126 95 709 -26 385 14 337 1 00 3 02 N
ATOM 922 CA ARG A 126 94 687 -26 155 13 324 1 00 3 02 C
ATOM 923 CB ARG A 126 93 308 -25 930 13 959 1 00 3 02 C
ATOM 924 CG ARG A 126 92 940 -24 503 14 368 1 00 3 02 C
ATOM 925 CD ARG A 126 91 960 -23 869 13 376 1 00 3 02 C
ATOM 926 NE ARG A 126 91 182 -22 755 13 924 1 00 3 02 N
ATOM 927 CZ ARG A 126 90 393 -21 959 13 196 1 00 3 02 C
ATOM 928 MHl ARG A 126 90 265 -22 146 11 882 1 00 3 02 N
ATOM 929 NH2 ARG A 126 89 715 -20 977 13 781 1 00 3 02 N
ATOM 930 C ARG A 126 95 114 -25 017 12 406 1 00 3 02 C
ATOM 931 O ARG A 126 94 391 -24 625 11 501 1 00 3 02 O
ATOM 932 N SER A 127 96 329 -24 537 12 638 1 00 3 02 N
ATOM 933 CA SER A 127 96 960 -23 485 11 857 1 00 3 02 C
ATOM 934 CB SER A 127 98 412 -23 355 12 288 1 00 3 02 C
ATOM 935 OG SER A 127 99 029 -24 631 12 312 1 00 3 02 O
ATOM 936 C SER A 127 96 930 -23 642 10 343 1 00 3 02 C
ATOM 937 O SER A 127 96 325 -22 828 9 647 1 00 3 02 O
ATOM 938 N VAL A 128 97 601 -24 672 9 833 1 00 3 02 N
ATOM 939 CA VAL A 128 98 033 -24 633 8 438 1 00 3 02
ATOM 940 CB VAL A 128 99 304 -25 453 8 171 1 00 3 02 C
ATOM 941 CGl VAL A 128 100 266 -24 645 7 293 1 00 3 02 C
ATOM 942 CG2 VAL A 128 99 985 -25 830 9 475 1 00 3 02 C
ATOM 943 C VAL A 128 96 953 -25 009 7 460 1 00 3 02 C
ATOM 944 O VAL A 128 96 863 24 417 6 380 1 00 3 02 O
ATOM 945 N THR A 129 96 143 -25 991 7 848 1 00 3 02 N
ATOM 946 CA THR A 129 95 068 -26 518 6 995 1 00 3 02 C
ATOM 947 CB THR A 129 94 715 -27 991 7 325 1 00 3 02 C
ATOM 948 OGl THR A 129 94 548 -28 145 8 751 1 00 3 02 O
ATOM 949 CG2 THR A 129 95 801 -28 941 6 836 1 00 3 02 C
ATOM 950 C THR A 129 93 796 -25 686 7 062 1 00 3 02 C
ATOM 951 O THR A 129 93 037 25 630 6 093 1 00 3 02 O
ATOM 952 N TYR A 130 93 576 -25 038 8 204 1 00 3 02 N
ATOM 953 CA TYR A 130 92 411 -24 182 8 386 1 00 3 02 C
ATOM 954 CB TYR A 130 92 329 -23 590 9 810 1 00 3 02 C
ATOM 955 CG TYR A 130 92 907 -22 187 10 014 1 00 3 02 C
ATOM 956 CDl TYR A 130 92 293 -21 067 9 467 1 00 3 02 C
ATOM 957 CEl TYR A 130 92 821 -19 793 9 657 1 00 3 02 C ATOM 958 CZ TYR A 130 93 954 -19 627 10 421 1 00 3 02
ATOM 959 OH TVR A 130 94 470 -18 364 10 613 1 00 3 02
ATOM 960 CE2 TYR A 130 94 563 -20 722 10 998 1 00 3 02
ATOM 961 CD2 TYR A 130 94 033 -21 985 10 803 1 00 3 02
ATOM 962 C TYR A 130 92 358 -23 086 7 336 1 00 3 02
ATOM 963 O TYR A 130 91 277 -22 613 6 982 1 00 3 02
ATOM 964 N THR A 131 93 522 -22 678 6 848 1 00 3 02
ATOM 965 CA THR A 131 93 558 -21 10Λ 5 782 1 00 3 02
ATOM 966 CB THR A 131 9" 798 -20 805 5 867 1 00 3 02
ATOM 967 OGl THR A 131 94 984 -20 403 7 232 1 00 3 02
ATOM 968 CG2 THR A 131 94 616 -19 550 5 010 1 00 3 02
ATOM 969 C THR A 131 93 392 -22 397 4 429 1 00 3 02
ATOM 970 O THR A 131 92 759 -21 838 3 533 1 00 3 02
ATOM 971 N LEU A 132 93 911 23 617 4 290 1 00 3 02
ATOM 972 CA LEU A 132 93 662 -24 396 3 081 1 00 3 02
ATOM 973 CB LEU A 132 94 548 -25 656 3 022 1 00 3 02
ATOM 974 CG LEU A 132 96 082 -25 444 2 865 1 00 3 02
ATOM 975 CDl LEU A 132 96 894 -26 772 2 867 1 00 3 02
ATOM 976 CD2 LEU A 132 96 477 -24 574 1 638 1 00 3 02
ATOM 977 C LEU A 132 92 150 -24 681 2 873 1 00 3 02
ATOM 978 O LEU A 132 91 705 24 837 1 733 1 00 3 02
ATOM 979 N ALA A 133 91 365 -24 726 3 954 1 00 3 02
ATOM 980 CA ALA A 133 89 911 -24 827 3 856 1 00 3 02
ATOM 981 CB ALA A 133 89 348 -25 308 5 163 1 00 3 02
ATOM 982 C ALA A 133 89 275 -23 487 3 467 1 00 3 02
ATOM 983 O ALA A 133 88 365 -23 449 2 643 1 00 3 02
ATOM 984 N GLN A 134 89 755 -22 392 4 066 1 00 3 02
ATOM 985 CA GLN A 134 89 269 -21 017 3 789 1 00 3 02
ATOM 986 CB GLN A 134 89 967 -20 013 4 715 1 00 3 02
ATOM 987 CG GLN A 134 89 631 -20 138 6 185 1 00 3 02
ATOM 988 CD GLN A 134 90 198 19 003 7 007 1 00 3 02
ATOM 989 OEl GLN A 134 90 695 -18 009 6 472 1 00 3 02
ATOM 990 NE2 GLN A 134 90 122 -19 143 8 320 1 00 3 02
ATOM 991 C GLN A 134 89 471 -20 525 2 349 1 00 3 02
ATOM 992 O GLN A 134 88 702 -19 711 1 845 1 00 3 02
ATOM 993 N LEU A 135 90 525 -21 020 1 707 1 00 3 02
ATOM 994 CA LEU A 135 90 999 -20 503 0 416 1 00 3 02
ATOM 995 CB LEU A 135 92 534 -20 457 0 408 1 00 3 02
ATOM 996 CG LEU A 135 93 171 -19 561 1 472 1 00 3 02
ATOM 997 CDl LEU A 135 94 502 -20 086 1 854 1 00 3 02
ATOM 998 CD2 LEU A 135 93 288 -18 130 1 019 1 00 3 02
ATOM 999 C LEU A 135 90 473 -21 154 -0 895 1 00 3 02
ATOM 1000 O LEU A 135 90 718 -20 597 -1 984 1 00 3 02
ATOM 1001 N PRO A 136 89 818 -22 346 -0 819 1 00 3 02
ATOM 1002 CA PRO A 136 89 038 -22 768 1 985 1 00 3 02
ATOM 1003 CB PRO A 136 89 018 -24 293 -1 872 1 00 3 02
ATOM 1004 CG PRO A 136 89 317 -24 598 -0 439 1 00 3 02
ATOM 1005 CD PRO A 136 89 786 -23 360 0 251 1 00 3 02
ATOM 1006 C PRO A 136 87 625 -22 179 -1 967 1 00 3 02
ATOM 1007 O PRO A 136 86 851 -22 402 ™? 897 1 00 3 02
ATOM 1008 N CYS A 137 87 317 -21 431 -0 909 1 00 3 02 ATOM 1009 CA CYS A 137 86 096 -20 625 -0 843 - 00 3 02 C
ATOM 1010 CB CYS A 137 85 644 -20 410 0 607 1 00 3 02 C
ATOM 1011 SG CYS A 137 85 160 -21 922 1 479 1 00 3 02 S
ATOM 1012 C CYS A 137 86 275 -19 280 -1 557 1 00 3 02 C
ATOM 1013 O CYS A 137 85 289 -18 637 -1 934 1 00 3 02 O
ATOM -014 N ALA A 138 87 533 -18 864 -1 706 1 00 3 02 N
ATOM 1015 CA ALA A 138 87 911 -17 777 -2 595 1 00 3 02 C
ATOM 1016 CB ALA A 138 89 255 -17 199 -2 185 1 00 3 02 C
ATOM 1017 C ALA A 138 87 962 -18 293 -4 038 1 00 3 02 C
ATOM 1018 O ALA A 138 87 720 -17 523 -4 972 1 00 3 02 O
ATOM 1019 N SER A 139 88 273 -19 587 -4 210 1 00 3 02 N
ATOM 1020 CA SER A 139 88 323 -20 229 -5 536 1 00 3 02 C
ATOM 1021 CB SER A 139 89 310 -21 410 -5 570 1 00 3 02 C
ATOM 1022 OG SER A 139 88 694 22 636 5 211 1 00 3 02 O
ATOM 1023 C SER A 139 86 936 -20 640 -6 062 1 00 3 02 C
ATOM 1024 O SER A 139 86 589 -20 323 -7 205 1 00 3 02 O
ATOM 1025 N MET A 140 86 148 -21 325 -5 229 1 00 3 02 N
ATOM 1026 CA MET A 140 84 759 -21 690 -5 580 1 00 3 02 C
ATOM 1027 CB MET A 140 84 115 -22 515 -4 465 1 00 3 02 C
ATOM 1028 CG MET A 140 84 605 -23 924 -4 351 1 00 3 02 C
ATOM 1029 SD MET A 140 83 446 24 886 3 370 1 00 3 02 S
ATOM 1030 CE MET A 140 82 255 -25 384 4 634 1 00 3 02 C
ATOM 1031 C MET A 140 83 827 -20 504 -5 886 1 00 3 02 C
ATOM 1032 O MET A 140 83 313 -20 374 -6 997 1 00 3 02 O
ATOM 1033 N ALA A 141 83 609 -19 655 -4 888 1 00 3 02 N
ATOM 1034 CA ALA A 141 82 583 -18 625 -4 952 1 00 3 02 C
ATOM 1035 CB ALA A 141 82 629 -17 761 -3 707 1 00 3 02 C
ATOM 1036 C ALA A 141 82 606 -17 757 -6 221 1 00 3 02 C
ATOM 1037 O ALA A 141 81 550 -17 507 -6 815 1 00 3 02 O
ATOM 1038 N LEU A 142 83 797 -17 310 -6 627 1 00 3 02 N
ATOM 1039 CA LEU A 142 83 972 16 475 7 823 1 00 3 02 C
ATOM 1040 CB LEQ A 142 85 403 -15 929 -7 867 1 00 3 02 C
ATOM 1041 CG LEU A 142 85 804 -14 897 -6 803 1 00 3 02 C
ATOM 1042 CDl LEU A 142 86 999 -15 349 -5 999 1 00 3 02 C
ATOM 1043 CD2 LEU A 142 86 068 -13 515 —7 418 1 00 3 02 C
ATOM 1044 C LEU A 142 83 655 -17 239 -9 120 1 00 3 02 C
ATOM 1045 O LEU A 142 83 037 -16 692 -10 030 1 00 3 02 O
ATOM 1046 N GLN A 143 84 074 -18 508 -9 184 1 00 3 02 N
ATOM 1047 CA GLN A 143 83 911 -19 357 -10 383 1 00 3 02 C
ATOM 1048 CB GLN A 143 84 614 -20 697 -10 215 1 00 3 02 C
ATOM 1049 CG GLN A 143 86 109 -20 666 -10 384 1 00 3 02 C
ATOM 1050 CD GLN A 143 86 739 -21 928 -9 840 1 00 3 02 C
ATOM 1051 OEl GLN A 143 86 105 -22 683 -9 101 1 00 3 02 O
ATOM 1052 NE2 GLN A 143 87 992 -22 170 -10 199 1 00 3 02 N
ATOM 1053 C GLN A 143 82 459 -19 601 10 714 1 00 3 02 C
ATOM 1054 O GLN A 143 82 106 -19 835 -11 878 1 00 3 02 O
ATOM 1055 N ILE A 144 81 635 -19 571 -9 672 1 00 3 02 N
ATOM 1056 CA ILE A 144 80 199 -19 444 -9 831 1 00 3 02 C
ATOM 1057 CB ILE A 144 79 466 -19 514 -8 467 1 00 3 02 C
ATOM 1058 CGl ILE A 144 79 858 -20 781 -7 708 1 00 3 02 C
ATOM 1059 CDl ILE A 144 79 703 -20 658 -6 225 1 00 3 02 C ATOM 1060 CG2 ILE A 144 77 949 -19 458 -8 676 1 00 3 02 C
ATOM 1061 C ILE A 144 79 937 -18 088 -10 504 1 00 3 02 C
ATOM 1062 O ILE A 144 79 505 -18 045 -11 658 1 00 3 02 O
ATOM 1063 M LEU A 145 80 268 -17 001 -9 799 1 00 3 02 N
ATOM 1064 CA LED A 145 79 825 -15 639 -10 152 1 00 3 02 C
ATOM 1065 CB LEU A 145 80 461 -14 577 -9 243 1 00 3 02 C
ATOM 1066 CG LEU A 145 80 445 -14 634 -7 711 1 00 3 02 C
ATOM 1067 CDl LEU A 145 80 740 -13 242 -7 175 1 00 3 02 C
ATOM 1068 CD2 LED A 145 79 118 -15 098 -7 165 1 00 3 02 C
ATOM 1069 C LEU A 145 80 022 --5 202 -11 602 1 00 3 02 C
ATOM 1070 O LEU A 145 79 171 -14 523 -12 162 1 00 3 02 O
ATOM 1071 N TRP A 146 81 154 -15 560 -12 190 1 00 3 02 N
ATOM 1072 CA TRP A 146 81 479 -15 134 -13 543 1 00 3 02 C
ATOM 1073 CB TRP A 146 82 988 -15 209 -13 779 1 00 3 02 C
ATOM 1074 CG TRP A 146 83 825 -14 500 -12 746 1 00 3 02 C
ATOM 1075 CDl TRP A 146 84 663 -15 072 -11 827 1 00 3 02 C
ATOM 1076 NEl TRP A 146 85 251 -14 100 -11 060 1 00 3 02 N
ATOM 1077 CE2 TRP A 146 84 805 -12 871 11 474 1 00 3 02 C
ATOM 1078 CD2 TRP A 146 83 905 -13 085 -12 536 1 00 3 02
ATOM 1079 CE3 TRP A 146 83 298 -11 974 -13 144 1 00 3 02 C
ATOM 1080 CZ3 TRE A 146 83 601 -10 694 -12 675 1 00 3 02 C
ATOM 1081 CH2 TRP A 146 84 505 -10 510 -11 615 1 00 3 02 C
ATOM 1082 CZ2 TRP A 146 85 117 -11 585 -11 003 1 00 3 02 C
ATOM 1083 C TRP A 146 80 765 -16 015 -14 557 1 00 3 02 C
ATOM 1084 O TRP A 146 80 474 -15 584 -15 672 1 00 3 02 O
ATOM 1085 N GLU A 147 80 496 -17 259 -14 170 1 00 3 02 N
ATOM 1086 CA GLU A 147 79 848 -18 203 -15 064 1 00 3 02 C
ATOM 1087 CB GLU A 147 80 091 19 651 14 621 1 00 3 02 C
ATOM 088 CG GLU A 147 79 986 -20 680 -15 750 1 00 3 02 C
ATOM 1089 CD GLU A 147 80 206 -22 107 -15 269 1 00 3 02 C
ATOM 1090 OEl GLU A 147 81 118 -22 353 -14 446 1 00 3 02 O
ATOM 1091 OE2 GLU A 147 79 464 -22 992 -15 726 1 00 3 02 O
ATOM 1092 C GLU A 147 78 361 -17 878 -15 163 1 00 3 02 C
ATOM 1093 O GLU A 147 77 896 -17 470 -16 222 1 00 3 02 O
ATOM 1094 N ALA A 148 77 632 -18 035 -14 056 1 00 3 02 N
ATOM 1095 CA ALA A 148 76 210 -17 657 -13 979 1 00 3 02 C
ATOM 1096 CB ALA A 148 75 729 -17 668 -12 535 1 00 3 02 C
ATOM 1097 C ALA A 148 75 913 16 309 -14 643 1 00 3 02 C
ATOM 1098 O ALA A 148 74 946 -16 195 -15 388 1 00 3 02 O
ATOM 1099 N ALA A 149 76 759 -15 310 -14 390 1 00 3 02 N
ATOM 1100 CA ALA A 149 76 688 -14 018 -15 084 1 00 3 02 C
ATOM 1101 CB ALA A 149 77 641 -13 008 -14 435 1 00 3 02 Q
ATOM 1102 C ALA A 149 76 975 -14 125 -16 589 1 00 3 02 C
ATOM 1103 O ALA A 149 76 548 -13 260 -17 372 1 00 3 02 O
ATOM 1104 N ARG A 150 77 718 -15 170 -16 971 1 00 3 02 N
ATOM 1105 CA ARG A 150 78 026 -15 481 -18 373 1 00 3 02 C
ATOM 1106 CB ARG A 150 79 277 -16 363 -18 469 1 00 3 02 C
ATOM 1107 CG ARG A 150 79 580 -16 867 -19 879 1 00 3 02 C
ATOM 1108 CD ARG A 150 80 705 -17 887 -19 907 1 00 3 02 C
ATOM 1109 NE ARG A 150 81 437 -17 829 -21 170 1 00 3 02 N
ATOM 1110 CZ ARG A 150 82 180 -18 815 -21 655 1 00 3 02 C ATOM 1111 NHl ARG A 150 82 287 -19 964 -20 994 1 00 3 02 N
ATOM 1112 NH2 ARG A 150 82 794 -18 655 -22 817 1 00 3 02 N
ATOM 1113 C ARG A 150 76 850 -16 178 -19 060 1 00 3 02 C
ATOM 1114 O ARG A 150 76 632 -16 003 -20 263 1 00 3 02 O
ATOM 1115 N HlS A 151 76 105 -16 960 -18 283 1 00 3 02 H
ATOM 1116 CA HIS A 151 74 955 -17 678 -18 784 1 00 3 02 C
ATOM 1117 CB HIS A 151 74 533 -18 744 -17 764 1 00 3 02 C
ATOM 1118 CG HIS A 151 75 437 -19 941 -17 737 1 00 3 02 C
ATOM 1119 NDl HIS A 151 75 195 -21 077 -18 483 1 00 3 02 N
ATOM 1120 CEl HIS A 151 76 163 -21 952 -18 272 1 00 3 02 C
ATOM 1121 NE2 HIS A 151 77 021 -21 428 -17 411 1 00 3 02 N
ATOM 1122 CD2 HIS A 151 76 591 -20 172 -17 062 1 00 3 02 C
ATOM 1123 C HIS A 151 73 794 -16 739 -19 149 1 00 3 02 C
ATOM 1124 O HIS A 151 72 986 17 039 20 030 1 00 3 02 O
ATOM 1125 N LEU A 152 73 731 -15 595 -18 484 1 00 3 02 N
ATOM 1126 CA LEU A 152 72 659 -14 627 -18 703 1 00 3 02 C
ATOM 1127 CB LEU A 152 71 812 -14 501 -17 433 1 00 02 C
ATOM 1128 CG LEU A 152 71 943 -15 684 -16 470 1 00 3 02 C
ATOM 1129 CDl LEU A 152 71 809 -15 243 -15 039 1 00 3 02 C
ATOM 1130 CD2 LEU A 152 70 974 -16 797 -16 805 1 00 02 C
ATOM 1131 C LEU A 152 73 261 13 266 19 099 1 00 02 C
ATOM 1132 O LEU A 152 72 563 -12 293 -19 432 1 00 3 02 O
ATOM 1133 N PRO B 11 66 179 -14 807 -14 893 1 00 3 02 N
ATOM 1134 CA PRO B 11 65 041 -14 732 -13 964 1 00 3 02 C
ATOM 1135 CB PRO B 11 63 831 -15 101 -14 839 1 00 3 02 C
ATOM 1136 CG PRO B 11 64 403 -15 709 -16 096 1 00 3 02 C
ATOM 1137 CD PRO B 11 65 771 -15 119 -16 276 1 00 3 02 C
ATOM 1138 C PRO B 11 65 162 -15 694 -12 773 1 00 3 02 C
ATOM 1139 O PRO B 11 64 915 -15 294 -11 632 1 00 3 02 O
ATOM 1140 N ALA B 12 65 540 -16 945 -13 047 1 00 3 02 N
ATOM 1141 CA ALA B 12 65 717 -x7 966 12 009 1 00 3 02 C
ATOM 1142 CB ALA B 12 65 293 -19 322 -12 539 1 00 3 02 C
ATOM 1143 C ALA B 12 67 165 -18 026 -11 511 1 00 3 02 C
ATOM 1144 O ALA B 12 67 442 -17 859 -10 319 1 00 3 02 O
ATOM 1145 N LEU B 13 68 080 -18 248 -12 453 1 00 3 02 N
ATOM 1146 CA LEU B 13 69 502 -18 457 -12 172 1 00 3 02 C
ATOM 1147 CB LEU B 13 70 145 -19 249 -i3 315 1 00 3 02 C
ATOM 1148 CG LEU B 13 69 388 -20 542 -13 629 1 00 3 02 C
ATOM 1149 CDl LEQ B 13 69 185 -20 750 -15 134 1 00 3 02 C
ATOM 1150 CD2 LEU B 13 70 084 -21 730 -12 973 1 00 3 02 C
ATOM 1151 C LEU B 13 70 297 -17 167 -11 873 1 00 3 02 C
ATOM 1152 O LEU B 13 71 376 -17 240 -11 266 1 00 3 02 O
ATOM 1153 N PRO B 14 69 804 -15 989 -12 327 1 00 3 02 N
ATOM 1154 CA PRO B 14 70 399 -14 788 -11 734 1 00 3 02 C
ATOM 1155 CB PRO B 14 69 848 -13 655 -12 600 1 00 3 02 C
ATOM 1156 CG PRO B 14 68 578 -14 195 -13 152 1 00 3 02 C
ATOM 1157 CD PRO B 14 68 802 -15 655 -13 356 1 00 3 02 C
ATOM 1158 C PRO B 14 69 960 -14 603 -10 277 1 00 3 02 C
ATOM 1159 O PRO B 14 70 698 -14 021 -9 477 1 00 3 02 O
ATOM 1160 N ALA B 15 68 775 -15 121 -9 948 1 00 3 02 N
ATOM 1161 CA ALA B 15 68 138 -14 892 -8 648 1 00 3 02 C ATOM 1162 CB ALA B 15 66 626 -15 231 -8 699 00 3 02
ATOM 1163 C ALA B 15 68 823 -15 672 -7 550 1 00 3 02 C
ATOM 1164 O ALA B 15 69 192 -15 104 -6 525 1 00 3 02 O
ATOM 1165 N PHE B 16 68 969 16 978 -7 775 1 00 3 02 N
ATOM 1166 CA PHS B 16 69 769 -17 831 -6 909 1 00 3 02 C
ATOM 1167 CB PHE B 16 69 440 -19 307 -7 141 1 00 3 02 C
ATOM 1168 CG PHE B 16 68 000 -19 662 -6 847 1 00 3 02 c
ATOM 1169 CDl PHE B 16 67 036 -19 613 -7 855 1 00 3 02 C
ATOM 1170 CEl PHE B 16 65 701 -19 938 —7 593 1 00 3 02 C
ATOM 1171 CZ PHE B 16 65 315 -20 318 -6 310 1 00 3 02 C
ATOM 1172 CE2 PHE B 16 66 264 20 373 5 289 1 00 3 02 C
ATOM 1173 CD2 PHE B 16 67 605 -20 048 -5 561 1 00 3 02 C
ATOM 1174 C PHE B 16 71 268 -17 538 -7 105 1 00 3 02 C
ATOM 1175 O PHE B 16 72 121 -18 071 -6 361 1 00 3 02 O
ATOM 1176 N LEU B 17 71 573 -16 667 -8 079 1 00 3 02 N
ATOM 1177 CA LEU B 17 72 943 -16 223 -8 341 1 00 3 02 C
ATOM 1178 CB LEU B 17 73 005 -15 250 -9 519 1 00 3 02 C
ATOM 1179 CG LEU B 17 74 144 -x5 378 -10 536 1 00 3 02 C
ATOM 1180 CDl LEU B 17 73 766 -14 578 -11 778 1 00 3 02 C
ATOM 1181 CD2 LEU B 17 75 543 -14 949 -9 999 1 00 3 02 C
ATOM 1182 C LEU B 17 73 571 -15 580 -7 108 1 00 3 02 C
ATOM 1183 O LEU B 17 74 468 -16 167 -6 493 1 00 3 02 O
ATOM 1184 N LEU B 18 73 099 -14 392 - 6 740 1 00 3 02 N
ATOM 1185 CA LEU B 18 73 789 -13 604 -5 712 1 00 3 02 C
ATOM 1186 CB LEU B 18 73 406 -12 115 -5 792 1 00 3 02 C
ATOM 1187 CG LEU B 18 74 441 -11 288 -6 573 1 00 3 02 C
ATOM 1188 CDl LEU B 18 73 815 -10 076 -7 242 1 00 3 02 C
ATOM 1189 CD2 LEU B 18 75 605 -10 887 -5 671 1 00 3 02 C
ATOM 1190 C LEU B 18 73 654 -14 169 -4 297 1 00 3 02 C
ATOM 1191 O LEQ B 18 74 133 -13 583 -3 320 1 00 3 02 O
ATOM 1192 N CYS B 19 73 056 -15 352 -4 233 1 00 3 02 N
ATOM 1193 CA CYS B 19 72 762 -16 057 _3 000 1 00 3 02 C
ATOM 1194 CB CYS B 19 71 600 -16 974 -3 271 1 00 3 02 C
ATOM 1195 SG CYS B 19 70 470 -16 153 -4 415 1 00 3 02 S
ATOM 1196 C CYS B 19 73 936 -16 886 -2 532 1 00 3 02 C
ATOM 1197 O CYS B 19 73 951 -17 350 -1 390 1 00 3 02 O
ATOM 1198 N SER B 20 74 899 -17 091 -3 434 1 00 3 02 N
ATOM 1199 CA SER B 20 76 193 17 672 3 088 1 00 3 02 C
ATOM 1200 CB SER B 20 76 939 -18 176 -4 329 1 00 3 02 C
ATOM 1201 OG SER B 20 76 856 -17 263 -5 406 1 00 3 02 O
ATOM 1202 C SER B 20 76 991 -16 617 -2 368 1 00 3 02 C
ATOM 1203 O SER B 20 77 447 -16 855 -1 256 1 00 3 02 O
ATOM 1204 N THR B 21 77 085 -15 435 -2 987 1 00 3 02 N
ATOM 1205 CA THR B 21 77 971 -14 334 -2 556 1 00 3 02 C
ATOM 1206 CB THR B 21 78 075 13 210 3 633 1 00 3 02 C
ATOM 1207 OGl THR B 21 77 655 -13 704 -4 917 1 00 3 02 O
ATOM 1208 CG2 THR B 21 79 512 -12 660 -3 711 1 00 3 02 C
ATOM 1209 C THR B 21 77 559 -13 692 -1 228 1 00 3 02 C
ATOM 1210 O THR B 21 78 423 -13 267 -0 448 1 00 3 02 O
ATOM 1211 N LEϋ B 22 76 247 -13 624 -0 982 1 00 3 02 N
ATOM 1212 CA LEU B 22 75 737 -13 145 0 299 1 00 3 02 C ATOM 1213 CB LEU B 22 74 207 -13 034 0 292 1 00 3 02 C
AT(M 1214 CG LEU B 22 73 475 -12 205 -0 767 1 00 3 02 C
ATOM 1215 CDl LEU B 22 72 119 -11 783 -0 259 1 00 3 02 Q
ATOM 12.6 CD2 LEU B 22 74 258 -10 985 -1 232 1 00 3 02 C
ATOM 1217 C LEU B 22 76 199 -14 061 1 430 1 00 3 02 C
ATOM 1218 O LEU B 22 76 496 -13 597 2 525 1 00 3 02 O
ATOM 1219 N LEU B 23 76 286 -15 356 1 138 1 00 3 02 N
ATOM 1220 CA LEU B 23 76 589 -16 355 2 157 1 00 3 02 C
ATOM 1221 CB LEU B 23 75 506 -17 454 2 153 1 00 3 02 C
ATOM 1222 CG LEU B 23 74 066 -16 973 2 476 1 00 3 02 C
ATOM 1223 CDl LEU B 23 72 963 -17 659 1 653 1 00 3 02 C
ATOM 1224 CD2 LEU B 23 73 746 -17 050 3 974 1 00 3 02 C
ATOM 1225 C LEU B 23 78 037 -16 912 2 085 1 00 3 02 C
ATOM 1226 O LEU B 23 78 388 17 838 2 822 1 00 3 02 O
ATOM 1227 N VAL B 24 78 873 -16 341 1 203 1 00 02 N
ATOM 1228 CA VAL B 24 80 350 -16 527 1 260 1 00 3 02 C
ATOM 1229 CB VAL B 24 81 057 -16 435 -0 130 1 00 3 02 C
ATOM 1230 CGl VAL B 24 82 529 -16 870 -0 018 1 00 3 02 C
ATOM 1231 CG2 VAL B 24 80 348 -17 259 -1 168 1 00 3 02 C
ATOM 1232 C VAL B 24 80 970 -15 430 2 135 1 00 3 02 C
ATOM 1233 O VAL B 24 82 032 15 624 2 745 1 00 3 02 O
ATOM 1234 N ILE B 25 80 318 -14 261 2 132 1 00 3 02 N
ATOM 1235 CA ILE B 25 80 652 -13 174 3 042 1 00 3 02 C
ATOM 1236 CB ILE B 25 80 144 -11 787 2 519 1 00 3 02 C
ATOM 1237 CGl ILE B 25 80 579 -11 552 1 067 1 00 3 02 C
ATOM 1238 CDl ILE B 25 80 023 -10 281 0 458 1 00 3 02 C
ATOM 1239 CG2 ILE B 25 80 639 -10 638 3 412 1 00 3 02 C
ATOM 1240 C ILE B 25 80 052 -13 497 4 409 1 00 3 02 C
ATOM 1241 O ILE B 25 80 649 -13 192 5 444 1 00 3 02 O
ATOM 1242 N LYS B 26 78 891 -14 154 4 399 1 00 3 02 N
ATOM 1243 CA LYS B 26 78 092 14 339 5 617 1 00 3 02 C
ATOM 1244 CB LYS B 26 76 601 -14 170 5 321 1 00 3 02 C
ATOM 1245 CG LYS B 26 75 710 -14 219 6 534 1 00 3 02 C
ATOM 1246 CD LYS B 26 76 000 -13 119 7 535 1 00 3 02 C
ATOM 1247 CE LYS B 26 74 932 -13 168 8 619 1 00 3 02 C
ATOM 1248 NZ LYS B 26 75 523 -13 293 9 967 1 00 3 02 N
ATOM 1249 C LYS B 26 78 375 -15 648 6 357 1 00 3 02 C
ATOM 1250 O LYS B 26 78 546 -15 659 7 583 1 00 3 02 O
ATOM 1251 N MET B 27 78 421 -16 755 5 631 1 00 3 02 N
ATOM 1252 CA MET B 27 78 981 -17 943 6 237 1 00 3 02 C
ATOM 1253 CB MET B 27 78 461 -19 215 5 594 1 00 3 02 C
ATOM 1254 CG MET B 27 77 111 -19 579 6 128 1 00 3 02 C
ATOM 1255 SD MET B 27 77 104 -21 242 6 760 1 00 3 02 S
ATOM 1256 CE MET B 27 78 370 -21 139 8 046 1 00 3 02 C
ATOM 1257 C MET B 27 80 509 -17 880 6 240 1 00 3 02 C
ATOM 1258 O MET B 27 81 129 -18 036 7 298 1 00 3 02 O
ATOM 1259 N TYR B 28 81 123 -17 602 5 091 1 00 3 02 N
ATOM 1260 CA TYR B 28 82 583 -17 644 5 055 1 00 3 02 C
ATOM 1261 CB TYR B 28 83 092 -18 710 4 069 1 00 3 02 C
ATOM 1262 CG TYR B 28 83 757 -19 862 4 793 1 00 3 02 C
ATOM 1263 CDl TYR B 28 83 002 -20 832 5 444 1 00 3 02 C ATOM 1264 CEl TYR B 28 83 612 -21 877 6 122 1 00 3 02
ATOM 1265 CZ TYR B 28 85 001 -21 956 6 163 1 00 3 02
ATOM 1266 OH TYR B 28 85 626 -22 996 6 832 1 00 3 02
ATOM 1267 CE2 TYR B 28 85 769 -20 995 5 530 1 00 3 02
ATOM 1268 CD2 TYR 3 28 85 145 -19 954 4 859 1 00 3 02
ATOM 1269 C TYR B 28 83 472 -16 359 5 069 1 00 3 02
ATOM 1270 O TYR B 28 84 680 -16 476 5 279 1 00 3 02
ATOM 1271 N VAL B 29 82 952 -15 143 4 859 1 00 3 02
ATOM 1272 CA VAL B 29 83 829 -13 989 5 183 1 00 3 02
ATOM 1273 CB VAL B 29 83 487 -12 684 4 402 1 00 3 02
ATOM 1274 CGl VAL B 29 83 769 -11 417 5 231 1 00 3 02
ATOM 1275 CG2 VAL B 29 84 242 -12 646 3 075 1 00 3 02 C
ATOM 1276 C VAL B 29 83 914 -13 753 6 698 1 00 3 02 C
ATOM 1277 O VAL B 29 85 017 -13 543 7 233 1 00 3 02 O
ATOM 1278 N VAL B 30 82 751 -13 816 7 368 1 00 3 02 N
ATOM 1279 CA VAL B 30 82 626 -13 651 8 831 1 00 3 02 C
ATOM 1280 CB VAL B 30 81 160 -13 785 9 294 1 00 3 02 C
ATOM 1281 CGl VAL B 30 81 016 -13 350 10 741 1 00 3 02 C
ATOM 1282 CG2 VAL B 30 80 253 -12 976 8 422 1 00 3 02 C
ATOM 1283 C VAL B 30 83 466 -14 672 9 608 1 00 3 02 C
ATOM 1284 O VAL B 30 84 209 -14 307 10 520 1 00 3 02 O
ATOM 1285 N ALA B 31 83 323 -15 944 9 235 1 00 3 02 N
ATOM 1286 CA ALA B 31 84 103 -17 032 9 801 1 00 3 02 C
ATOM 1287 CB ALA B 31 83 649 -18 357 9 207 1 00 3 02 C
ATOM 1288 C ALA B 31 85 603 -16 814 9 579 1 00 3 02 C
ATOM i 289 O ALA B 31 86 418 -16 985 10 494 1 00 3 02 O
ATOM 1290 N ILE B 32 85 960 -16 418 8 363 1 00 3 02 N
ATOM 1291 CA ILE B 32 87 354 -16 118 8 051 1 00 3 02 C
ATOM 1292 CB ILE B 32 87 585 -15 863 6 528 1 00 3 02 C
ATOM 1293 CGl ILE B 32 87 538 -17 228 5 791 1 00 3 02 C
ATOM 1294 CDl ILE B 32 87 797 -17 222 4 278 1 00 3 02 C
ATOM 1295 CG2 ILE B 32 88 895 -15 097 6 294 1 00 3 02 C
ATOM 1296 C ILE B 32 87 940 -15 044 8 981 1 00 3 02 C
ATOM 1297 O ILE B 32 88 982 -15 292 9 594 1 00 3 02 O
ATOM 1298 N ILE B 33 87 261 13 895 9 117 1 00 3 02 N
ATOM 1299 CA ILE B 33 87 674 -12 840 io 077 1 00 3 02 C
ATOM 1300 CB ILE B 33 86 820 -11 541 9 980 1 00 3 02 C
ATOM 1301 CGl ILE B 33 87 171 -10 733 8 724 1 00 3 02 C
ATOM 1302 CDl ILE B 33 86 130 -9 621 8 375 1 00 3 02 C
ATOM 1303 CG2 ILE B 33 87 025 -10 661 11 219 1 00 3 02 C
ATOM 1304 C ILE B 33 87 666 -13 320 11 533 1 00 3 02 C
ATOM 1305 O ILE B 33 88 688 -13 214 12 225 1 00 3 02 O
ATOM 1306 N THR B 34 86 518 -13 837 ii 989 1 00 3 02 N
ATOM 1307 CA THR B 34 86 391 -14 353 13 355 1 00 3 02 C
ATOM 1308 CB THR B 34 84 945 -14 741 13 730 1 00 3 02 C
ATOM 1309 OGl THR B 34 84 335 -15 450 12 647 1 00 3 02 O
ATOM 1310 CG2 THR B 34 84 112 -13 488 14 011 1 00 3 02
ATOM 1311 C THR B 34 87 391 -15 477 13 597 1 00 3 02
ATOM 1312 O THR B 34 87 830 -15 688 14 732 1 00 3 02
ATOM 1313 N GLY B 35 87 775 -16 174 12 529 1 00 3 02
ATOM 1314 CA GLY B 35 89 017 -16 942 12 542 1 00 3 02 ATOM 1315 C GLY B 35 90 215 16 014 12 676 1 00 3 02 C
A"OM 1316 O GLY B 35 90 817 -15 940 13 739 1 00 3 02 O
ATOM 1317 N GLN B 36 90 505 -15 272 11 605 1 00 3 02 N
ATOM 1318 CA GLN B 36 91 765 -14 512 11 419 1 00 3 02 C
ATOM 1319 CB GLN B 36 91 725 -13 708 i0 104 1 00 3 02 C
ATOM 1320 CG GLN B 36 91 623 -14 544 8 827 1 00 3 02 C
ATOM 1321 CD GLN B 36 92 654 -15 640 8 760 1 00 3 02 C
ATOM 1322 OEl GLN B 36 93 777 15 480 9 258 1 00 3 02 O
ATOM 1323 NE2 GLN B 36 92 285 -16 769 8 149 1 00 3 02 N
ATOM 1324 C GLN B 36 92 253 -13 593 12 565 1 00 3 02 C
ATOM 1325 O GLN B 36 93 446 -13 595 12 907 1 00 3 02 O
ATOM 1326 N VAL B 37 91 331 -12 811 13 128 1 00 3 02 N
ATOM 1327 CA VAL B 37 91 618 -11 881 14 228 1 00 3 02 C
ATOM 1328 CB VAL B 37 90 565 -10 730 x4 297 1 00 3 02 C
ATOM 1329 CGl VAL B 37 90 749 -9 890 15 572 1 00 3 02 Q
ATOM 1330 CG2 VAL B 37 90 622 -9 840 13 045 1 00 3 02 C
ATOM 1331 C VAL B 37 91 652 -12 590 15 590 1 00 3 02 C
ATOM 1332 O VAL B 37 92 357 -12 142 16 495 1 00 3 02 O
ATOM 1333 N ARG B 38 90 871 -IT 667 15 738 1 00 3 02 N
ATOM i 334 CA ARG B 38 90 818 -14 436 16 986 1 00 3 02 C
ATOM 1335 CB ARG B 38 89 765 -15 560 16 900 1 00 3 02 C
ATOM 1336 CG ARG B 38 89 651 -16 452 18 155 1 00 3 02 C
ATOM 1337 CD ARG B 38 89 200 -17 896 17 847 1 00 3 02 C
ATOM 1338 NE ARG B 38 89 020 -18 701 19 066 1 00 3 02 N
ATOM 1339 CZ ARG B 38 88 710 20 000 19 095 1 00 3 02 C
ATOM 1340 NHl ARG B 38 88 550 -20 693 17 975 1 00 3 02 N
ATOM 1341 NH2 ARG B 38 88 563 -20 612 20 259 1 00 3 02 N
ATOM 1342 C ARG B 38 92 x83 -.5 028 17 251 1 00 3 02 C
ATOM 1343 O ARG B 38 92 685 -14 937 18 370 1 00 3 02 O
ATOM 1344 N LEU B 39 92 762 -15 588 16 180 1 00 3 02 N
ATOM 1345 CA LEU B 39 93 959 -16 434 16 177 1 00 3 02 C
ATOM 1346 CB LEU B 39 93 904 -17 415 15 004 1 00 3 02 C
ATOM 1347 CG LEU B 39 93 509 -18 880 15 174 1 00 3 02 C
ATOM 1348 CDl LEU B 39 92 922 -19 354 13 873 1 00 3 02 C
ATOM 1349 CD2 LEU B 39 94 687 19 771 15 550 1 00 3 02 C
ATOM 1350 C LEU B 39 95 249 -15 645 16 065 1 00 3 02 C
ATOM 1351 O LEU B 39 96 307 -16 149 16 467 1 00 3 02 O
ATOM 1352 N ARG B 40 95 181 -14 436 15 498 1 00 3 02 N
ATOM 1353 CA ARG B 40 96 372 -13 575 15 433 1 00 3 02 C
ATOM 1354 CB ARG B 40 96 188 -12 374 14 498 1 00 3 02 C
ATOM 1355 CG ARG B 40 97 508 -11 881 13 903 1 00 3 02 C
ATOM 1356 CD ARG B 40 97 670 -10 350 13 881 1 00 3 02 C
ATOM 1357 NE ARG B 40 99 073 -10 036 13 595 1 00 3 02 N
ATOM 1358 CZ ARG B 40 99 557 -8 903 13 082 1 00 3 02 C
ATOM 1359 NHl ARG B 40 98 766 -7 882 12 756 1 00 3 02 N
ATOM 1360 NH2 ARG B 40 100 866 -8 813 12 879 1 00 3 02 N
ATOM 1361 C ARG B 40 96 761 -13 095 16 834 1 00 3 02 C
ATOM 1362 O ARG B 40 97 921 -13 231 17 257 1 00 3 02 O
ATOM 1363 N LYS B 41 95 784 12 539 17 548 1 00 3 02 N
ATOM 1364 CA LYS B 41 95 964 -12 174 18 949 1 00 3 02 C
ATOM 1365 CB LYS B 41 94 998 -11 055 19 341 1 00 3 02 C ATOM 1366 CG LYS B 41 94 546 -10 156 18 206 1 00 3 02 C
ATOM 1367 CD LYS B 41 93 218 -9 481 18 571 1 00 3 02 C
ATOM 1368 CS LYS B 41 93 077 -8 109 17 908 1 00 3 02 C
ATOM 1369 NZ LYS B 41 92 346 -7 119 18 766 X 00 3 02 N
ATOM 1370 C LYS B 41 95 729 -13 407 19 846 1 00 3 02 C
ATOM 1371 O LYS B 41 95 241 -13 279 20 980 1 00 3 02 O
ATOM 1372 N LYS B 42 96 084 -14 591 19 342 1 00 3 02 N
ATOM 1373 CA LYS B 42 95 740 -15 847 20 000 1 00 3 02 C
ATOM 1374 CB LYS B 42 96 544 -17 022 19 421 1 00 3 02 C
ATOM 1375 CG LYS B 42 96 152 -18 408 19 937 1 00 3 02 C
ATOM 1376 CD LYS B 42 94 927 18 985 19 237 1 00 3 02 C
ATOM 1377 CE LYS B 42 94 885 -20 526 19 375 1 00 3 02 C
ATOM 1378 NZ LYS B 42 93 531 -21 158 19 143 1 00 3 02 N
ATOM 1379 C LYS B 42 95 882 -15 732 21 519 1 00 3 02 C
ATOM 1380 O LYS B 42 96 993 -15 635 22 054 1 00 3 02 O
ATOM 1381 N ALA B 43 94 732 -15 687 22 187 1 00 3 02 N
ATOM 1382 CA ALA B 43 94 666 -15 710 23 639 1 00 3 02 C
ATOM 1383 CB ALA B 43 93 511 -14 842 24 132 1 00 3 02 C
ATOM 1384 C ALA B 43 94 534 -17 153 24 139 1 00 3 02 C
ATOM 1385 O ALA B 43 93 689 -17 456 24 980 1 00 02 O
ATOM 1386 N PHE B 44 95 368 -18 037 23 593 1 00 3 02 N
ATOM 1387 CA PHE B 44 95 465 -19 420 24 050 1 00 3 02
ATOM 1388 CB PHE B 44 94 880 -20 386 23 019 1 00 3 02 C
ATOM 1389 CG PHE B 44 93 364 -20 339 22 932 1 00 3 02 C
ATOM 1390 CDl PHE B 44 92 705 -19 235 22 382 1 00 3 02 C
ATOM 1391 CEl PHE B 44 91 310 -19 194 22 313 1 00 3 02 C
ATOM 1392 CZ PHE B 44 90 560 -20 268 22 789 1 00 3 02 C
ATOM 1393 CE2 PHE B 44 91 204 -21 371 23 331 1 00 3 02 C
ATOM 1394 CD2 PHE B 44 92 598 -21 399 23 398 1 00 3 02 C
ATOM 1395 C PHE B 44 96 929 -19 690 24 381 1 00 3 02 C
ATOM 1396 O PHE B 44 97 732 -18 762 24 331 1 00 3 02 O
ATOM 1397 N ALA B 45 97 280 -20 935 24 707 1 00 3 02 N
ATOM 1398 CA ALA B 45 98 491 -21 235 25 494 1 00 3 02 C
ATOM 1399 CB ALA B 45 99 747 -20 667 24 848 1 00 3 02 C
ATOM 1400 C ALA B 45 98 281 -20 678 26 904 1 00 3 02 C
ATOM 1401 O ALA B 45 99 131 -20 020 27 475 1 00 3 02 O
ATOM 1402 N ASN B 46 97 100 -20 978 27 433 1 00 3 02 N
ATOM 1403 CA ASN B 46 96 576 20 481 28 696 1 00 3 02 C
ATOM 1404 CB ASN B 46 95 052 -20 605 28 664 1 00 3 02 Q
ATOM 1405 CG ASN B 46 94 469 -20 185 27 325 1 00 3 02 C
ATOM 1406 ODl ASN B 46 93 846 -20 967 26 622 1 00 3 02 O
ATOM 1407 ND2 ASN B 46 94 706 -18 938 26 957 1 00 3 02 N
ATOM 1408 C ASN B 46 97 156 -21 216 29 906 1 00 3 02 C
ATOM 1409 O ASN B 46 97 458 -22 398 29 822 1 00 3 02 O
ATOM 1410 N PRO B 47 97 247 -20 525 31 059 1 00 3 02 N
ATOM 1411 CA PRO B 47 98 040 -20 863 32 237 1 00 3 02 C
ATOM 1412 CB PRO B 47 96 944 -20 935 33 326 1 00 3 02 C
ATOM 1413 CG PRO B 47 95 835 -19 861 32 781 1 00 3 02
ATOM 1414 CD PRO B 47 96 354 -19 400 31 401 1 00 3 02
ATOM 1415 C PRO B 47 98 826 -22 160 32 161 1 00 3 02 C
ATOM 1416 O PRO B 47 98 779 -22 943 33 111 1 00 3 02 O ATOM 1417 N GLU B 48 99 550 -22 371 31 058 1 00 3 02 N
ATOM 1118 CA GLU B 48 100 254 -23 642 30 802 1 00 3 02 C
ATOM 1419 CB GLU B 48 101 361 -23 875 31 830 1 00 3 02 C
ATOM 1420 CG GLJ B 48 102 482 -24 774 31 372 1 00 3 02 C
ATOM 1421 CD GLU B 48 103 502 -25 000 32 480 1 00 3 02 C
ATOM 1422 OSl GLU B 48 103 821 -23 998 33 186 1 00 3 02 O
ATOM 1423 OE2 GhIl B 48 103 982 -26 169 32 658 1 00 3 02 O
ATOM ±424 C GLU B 48 99 243 -24 797 30 804 1 00 3 02 C
ATOM 1425 O GLU B 48 99 136 -25 571 31 769 1 00 3 02 O
ATOM 1426 N ASP B 49 98 505 -24 881 29 700 1 00 3 02 N
ATOM 1427 CA ASP B 49 97 347 -25 740 29 565 1 00 3 02 C
ATOM 1428 CB ASP B 49 96 089 -24 867 29 487 1 00 3 02 C
ATOM 1429 CG ASE B 49 94 810 -25 660 29 586 1 00 3 02 C
ATOM 1430 ODl ASP B 49 94 700 -26 512 30 486 1 00 3 02 O
ATOM 1431 OD2 ASP B 49 93 903 -25 407 28 770 1 00 3 02 O
ATOM 1432 C ASP B 49 97 479 -26 543 28 288 1 00 3 02 C
ATOM 1433 O ASP B 49 97 869 -26 006 27 246 1 00 3 02 O
ATOM 1434 N ALA B 50 97 188 27 837 28 392 1 00 3 02 N
ATOM 1435 CA ALA B 50 96 829 -28 652 27 246 1 00 3 02 C
ATOM 1436 CB ALA B 50 96 692 -30 102 27 672 1 00 3 02 C
ATOM 1437 C ALA B 50 95 494 -28 096 26 757 1 00 3 02 C
ATOM 1438 O ALA B 50 94 567 -27 898 27 554 1 00 3 02 O
ATOM 1439 N LEU B 51 95 401 -27 825 25 461 1 00 3 02 N
ATOM 1440 CA LEU B 51 94 308 -27 000 24 951 1 00 3 02 C
ATOM 1441 CB LEU B 51 94 658 -26 416 23 577 1 00 3 02 C
ATOM 1442 CG LEU B 51 93 755 -25 273 23 091 1 00 3 02 C
ATOM 1443 CDl LEU B 51 92 603 -25 795 22 220 1 00 3 02 C
ATOM 1444 CD2 LEU B 51 93 213 24 448 24 254 1 00 3 02 C
ATOM 1445 C LEU B 51 92 874 -27 574 24 957 1 00 3 02 C
ATOM 1446 O LEU B 51 92 547 -28 515 24 203 00 3 02 O
ATOM 1447 N ARG B 52 92 059 -26 977 25 841 1 00 3 02 N
ATOM 1448 CA ARG B 52 90 579 -26 894 25 739 1 00 3 02 C
ATOM 1449 CB ARG B 52 89 855 -28 174 26 191 1 00 3 02 C
ATOM l<!50 CG ARG B 52 90 715 -29 412 26 213 1 00 3 02 C
ATOM 1451 CD ARG B 52 89 917 -30 663 25 914 1 00 3 02 C
ATOM 1452 NE ARG B 52 90 720 -31 654 25 191 1 00 3 02 N
ATOM 1453 CZ ARG B 52 91 617 -32 469 25 754 1 00 3 02 C
ATOM 1454 NHl ARG B 52 91 845 -32 434 27 071 1 00 3 02 N
ATOM 1455 NH2 ARG B 52 92 280 -33 339 24 998 1 00 3 02 N
ATOM 1456 C ARG B 52 90 099 -25 677 26 562 1 00 3 02 C
ATOM 1457 O ARG B 52 90 882 -24 719 26 783 1 00 3 02 O
ATOM 1458 N HIS B 53 88 824 -25 723 26 988 1 00 3 02 N
ATOM 1459 CA HIS B 53 88 204 -24 769 27 934 1 00 3 02 C
ATOM 1460 CB HIS B 53 89 006 -24 706 29 247 1 00 3 02 C
ATOM 1461 CG HIS B 53 89 992 -25 825 29 406 1 00 3 02 C
ATOM 1462 NDl HIS B 53 89 631 -27 157 29 357 1 00 3 02 N
ATOM 1463 CEl HIS B 53 90 704 -27 913 29 514 1 00 3 02
ATOM 1464 NE2 HIS B 53 91 753 -27 122 29 657 1 00 3 02 N
ATOM 1465 CD2 HIS B 53 91 335 -25 811 29 593 1 00 3 02 C
ATOM 1466 C HIS B 53 87 946 -23 373 27 327 1 00 3 02 C
ATOM 1467 O HIS B 53 88 045 -23 201 26 112 1 00 3 02 O ATOM 468 N GLY B 54 87 600 -22 390 28 161 1 00 3 02 N
ATOM 1469 CA GLY B 54 87 279 -21 054 27 660 1 00 3 02 C
ATOM 1470 C GLY B 54 86 374 -20 185 28 518 1 00 3 02 C
ATOM 1471 O GLY B 54 85 459 -19 509 28 003 1 00 3 02 O
ATOM 1472 N GLY B 55 86 632 -20 190 29 824 1 00 3 02 N
ATOM 1473 CA GLY B 55 85 902 -19 322 30 740 1 00 3 02 C
ATOM 1474 C GLY B 55 86 670 -18 904 31 985 1 00 3 02 C
ATOM 1475 O GLY B 55 86 133 -19 039 33 088 1 00 3 02 O
ATOM 1476 N PRO B 56 87 928 -18 410 31 827 1 00 3 02 N
ATOM 1477 CA PRO B 56 88 701 -17 818 32 904 1 00 3 02 C
ATOM 1478 CB PRO B 56 90 066 -18 481 32 720 1 00 3 02 C
ATOM 1479 CG PRO B 56 90 137 -18 799 31 193 1 00 3 02 C
ATOM 1480 CD PRO B 56 88 755 -18 465 30 611 1 00 3 02
ATOM 1481 C PRO B 56 88 837 -16 285 32 806 1 00 3 02 C
ATOM 1482 O PRO B 56 88 201 -15 575 33 586 1 00 3 02 O
ATOM 1483 N GLN B 57 89 671 -15 794 31 879 1 00 3 02 N
ATOM 1484 CA GLN B 57 89 951 -14 353 31 714 1 00 3 02 C
ATOM 1485 CB GLN B 57 91 396 -14 119 31 253 1 00 3 02 C
ATOM 1486 CG GLN B 57 92 367 -13 631 32 338 1 00 3 02 C
ATOM 1487 CD GLN B 57 93 603 12 951 31 760 1 00 3 02 C
ATOM 1488 OEl GLN B 57 93 488 -11 976 31 016 1 00 3 02 O
ATOM 1489 NE2 GLN B 57 94 787 -13 460 32 109 1 00 3 02 N
ATOM 1490 C GLN B 57 89 017 -13 662 30 724 1 00 3 02 C
ATOM 1491 O GLN B 57 88 947 -14 051 29 545 1 00 3 02 O
ATOM 1492 N TYR B 58 88 332 -12 617 31 202 1 00 3 02 N
ATOM 1493 CA TYR B 58 87 421 -11 818 30 383 1 00 3 02 C
ATOM 1494 CB TYR B 58 86 750 -10 735 31 235 1 00 3 02 C
ATOM 1495 CG TYR B 58 87 661 -9 574 31 628 1 00 3 02 C
ATOM 1496 CDl TYR B 58 87 667 -8 377 30 892 1 00 3 02 C
ATOM 1497 CEl TYR B 58 88 495 7 324 31 242 1 00 3 02 C
ATOM 1498 CZ TYR B 58 89 329 -7 451 32 345 1 00 3 02 C
ATOM 1499 OH TYR B 58 90 153 -6 408 32 706 1 00 3 02 O
ATOM 1500 CE2 TYR B 58 89 344 -8 611 33 094 1 00 3 02 C
ATOM 1501 CD2 TYR B 58 88 5x6 -9 665 32 733 1 00 3 02 C
ATOM ±502 C TYR B 58 88 154 -11 194 29 189 1 00 3 02 C
ATOM 1503 O TYR B 58 87 574 -11 046 28 109 1 00 3 02 O
ATOM 1504 N CYS B 59 89 422 -10 817 29 402 1 00 3 02 N
ATOM 1505 CA CYS B 59 90 328 -10 349 28 338 1 00 3 02 C
ATOM 1506 CB CYS B 59 91 673 -9 878 28 931 1 00 3 02 C
ATOM 1507 SG CYS B 59 91 853 -8 075 29 285 1 00 3 02 S
ATOM 1508 C CYS B 59 90 592 -11 435 27 280 1 00 3 02 C
ATOM 1509 O CYS B 59 90 938 -11 120 26 134 1 00 3 02 O
ATOM 1510 N ARG B 60 90 426 -12 702 27 671 1 00 3 02 N
ATOM 1511 CA ARG B 60 90 752 -13 834 26 817 1 00 3 02 C
ATOM 1512 CB ARG B 60 91 393 -14 946 27 647 1 00 3 02 C
ATOM 1513 CG ARG B 60 91 460 -16 286 26 943 1 00 3 02 C
ATOM 1514 CD ARG B 60 90 903 -17 371 27 824 1 00 3 02 C
ATOM 1515 NE ARG B 60 90 425 -18 495 27 038 1 00 3 02 N
ATOM 1516 CZ ARG B 60 90 637 -19 766 27 364 1 00 3 02 C
ATOM 1517 NHl ARG B 60 91 326 -20 066 28 459 1 00 3 02 N
ATOM 1518 NH2 ARG B 60 90 181 -20 744 26 588 1 00 3 02 N ATOM 1519 C ARG B 60 89 544 384 26 069 1 00 3 02 C
ATOM 1520 O ARG B 60 89 528 -14 390 24 830 1 00 3 02 O
ATOM 1521 N SER B 61 88 5^6 856 26 819 1 00 3 02 N
ATOM 1522 CA SER B 61 87 466 -15 655 26 229 1 00 3 02 C
ATOM 1523 CB SER B 61 87 369 -17 059 26 872 1 00 3 02 C
ATOM 1524 OG SER B 61 86 540 -17 085 28 030 1 00 3 02 O
ATOM 1525 C SER B 61 86 117 -14 941 26 196 1 00 3 02 C
ATOM 1526 O SER B 61 85 607 -14 692 25 117 1 00 3 02 O
ATOM 1527 N ASP B 62 85 560 -14 605 27 358 1 00 3 02 N
ATOM 1528 CA ASP B 62 84 178 -14 105 27 444 1 00 3 02 C
ATOM 1529 CB ASP B 62 83 993 -13 149 28 627 1 00 3 02 C
ATOM 1530 CG ASP B 62 83 794 -13 871 29 937 1 00 3 02 C
ATOM 1531 ODl ASP B 62 84 782 -14 436 30 479 1 00 3 02 O
ATOM 1532 OD2 ASP B 62 82 650 -13 836 30 435 1 00 3 02 O
ATOM 1533 C ASP B 62 83 633 -13 483 26 142 1 00 3 02 C
ATOM 1534 O ASP B 62 82 674 -14 024 25 576 1 00 3 02 O
ATOM 1535 N PRO B 63 84 239 -12 367 25 651 1 00 3 02 N
ATOM 1536 CA PRO B 63 83 760 -11 874 24 356 1 00 3 02 C
ATOM 1537 CB PRO B 63 84 577 -10 592 24 131 1 00 3 02 C
ATOM 1538 CG PRO B 63 85 816 10 788 24 956 1 00 3 02 C
ATOM 1539 CD PRO B 63 85 336 526 26 172 1 00 3 02 C
ATOM 1540 C PRO B 63 84 016 -12 900 23 245 1 00 3 02 C
ATOM 1541 O PRO B 63 83 057 -13 394 22 663 1 00 3 02 O
ATOM 1542 N ASP B 64 85 288 -13 245 23 004 1 00 3 02 N
ATOM 1543 CA ASP B 64 85 692 -14 193 21 951 1 00 3 02 C
ATOM 1544 CB ASP B 64 87 183 -14 557 22 090 1 00 3 02 C
ATOM 1545 CG ASP B 64 87 775 -15 195 20 821 1 00 3 02 C
ATOM 1546 ODl ASP B 64 87 395 -16 325 20 440 1 00 3 02 O
ATOM 1547 OD2 ASP B 64 88 666 -14 566 20 225 1 00 3 02 O
ATOM 1548 C ASP B 64 84 823 15 450 21 952 1 00 3 02 C
ATOM 1549 O ASP B 64 84 075 -15 669 21 005 1 00 3 02 O
ATOM 1550 N VAL B 65 84 908 -16 258 23 013 1 00 3 02 N
ATOM 1551 CA B 65 84 059 -17 455 23 152 1 00 3 02 Q
ATOM 1552 CB VAL B 65 84 189 -18 140 24 545 1 00 3 02 C
ATOM 1553 CGl VAL B 65 82 884 -18 860 24 937 1 00 3 02 C
ATOM 1554 CG2 VAL B 65 85 379 -19 116 24 570 1 00 3 02 C
ATOM 1555 C VAL B 65 82 580 -17 167 22 834 1 00 3 02 C
ATOM 1556 O VAL B 65 81 919 -17 969 22 153 1 00 3 02 O
ATOM 1557 N GLU B 66 82 049 -16 047 23 336 1 00 3 02 N
ATOM 1558 CA GLU B 66 80 753 -15 575 22 844 1 00 3 02 C
ATOM 1559 CB GLU B 66 80 210 -14 359 23 629 1 00 3 02 C
ATOM 1560 CG GLU B 66 78 713 -14 073 23 319 1 00 3 02 C
ATOM 1561 CD GLU B 66 78 215 -12 635 23 663 1 00 3 02 C
ATOM 1562 OEl GLU B 66 78 932 -11 878 24 372 1 00 3 02 O
ATOM 1563 OE2 GLU B 66 77 085 -12 273 23 220 1 00 3 02 O
ATOM 1564 C GLU B 66 80 968 -15 246 21 364 1 00 3 02 C
ATOM 1565 O GLU B 66 80 625 -16 063 20 504 1 00 3 02 O
ATOM 1566 N ARG B 67 81 607 -14 093 21 102 1 00 3 02 N
ATOM 1567 CA ARG B 67 81 850 -13 516 19 750 1 00 3 02 C
ATOM 1568 CB ARG B 67 83 121 -12 644 19 731 1 00 3 02 C
ATOM 1569 ΓG ARG B 67 82 932 -11 190 20 138 1 00 3 02 C ATOM 1570 CD ARG B 67 84 281 -10 468 20 251 00 3 02 C
ATOM 1571 NE ARG B 67 84 095 -9 143 20 822 00 3 02 N
ATOM 1572 CZ ARG B 67 84 128 -8 007 20 127 1 00 3 02 C
ATOM 1573 NHl ARG B 67 84 381 -8 023 18 825 1 00 3 02 N
ATOM 1574 NH2 ARG B 67 83 909 -6 846 20 736 1 00 3 02 N
ATOM 1575 C ARG B 67 81 959 -14 514 18 605 1 00 3 02 C
ATOM 1576 O ARG B 67 81 2^7 -14 377 17 606 1 00 3 02 O
ATOM 1577 N CYS B 68 82 863 -15 489 18 752 1 00 3 02 N
ATOM 1578 CA CYS B 68 83 137 -16 491 17 716 1 00 3 02 C
ATOM 1579 CB CYS B 68 84 499 -17 175 17 940 1 00 3 02 C
ATOM 1580 SG CYS B 68 85 917 -16 388 17 082 1 00 3 02 S
ATOM 1581 C CYS B 68 82 018 -17 523 17 548 1 00 3 02 C
ATOM 1582 O CYS B 68 81 609 -17 824 16 424 1 00 3 02 O
ATOM 1583 N LEU B 69 81 523 -18 063 18 658 1 00 3 02 N
ATOM 1584 CA LEU B 69 80 411 -19 007 18 595 1 00 3 02 C
ATOM 1585 CB LEU B 69 80 318 -19 859 19 864 1 00 3 02 C
ATOM 1586 CG LEU B 69 81 122 -21 153 19 925 1 00 3 02 C
ATOM 1587 CDl LEU B 69 80 993 -21 784 21 304 1 00 3 02 C
ATOM 1588 CD2 LEU B 69 80 643 -22 112 18 859 1 00 3 02 C
ATOM 1589 C LEU B 69 79 092 18 286 18 321 1 00 3 02 C
ATOM 1590 O LEU B 69 78 171 -18 882 17 776 1 00 3 02 O
ATOM 1591 N ARG B 70 79 013 -17 009 18 702 1 00 3 02 N
ATOM 1592 CA ARG B 70 77 906 -16 132 18 317 1 00 3 02 C
ATOM 1593 CB ARG B 70 78 162 -14 686 18 764 1 00 3 02 C
ATOM 1594 CG ARG B 70 77 942 -14 416 20 247 1 00 3 02 C
ATOM 1595 CD ARG B 70 76 541 -14 855 20 710 1 00 3 02 C
ATOM 1596 NΞ ARG B 70 76 407 -14 841 22 167 1 00 3 02 N
ATOM 1597 CZ ARG B 70 75 491 -15 528 22 846 1 00 3 02 C
ATOM 1598 NHl ARG B 70 74 608 -16 308 22 203 1 00 3 02 N
ATOM 1599 NH2 ARG B 70 75 458 15 452 24 168 1 00 3 02 N
ATOM 1600 C ARG B 70 77 722 -16 147 16 811 1 00 3 02 C
ATOM 1601 O ARG B 70 76 640 -16 470 16 314 1 00 3 02 O
ATOM 1602 N ALA B 71 78 789 -15 809 16 092 00 3 02 N
ATOM 1603 CA ALA B 71 78 758 -15 757 14 636 1 00 3 02 C
ATOM 1604 CB ALA B 71 80 088 -15 248 14 094 1 00 3 02 C
ATOM 1605 C ALA B 71 78 363 -17 099 13 993 1 00 3 02 C
ATOM 1606 O ALA B 71 77 337 -17 168 13 313 1 00 3 02 O
ATOM 1607 N HIS B 72 79 165 -18 149 14 230 1 00 3 02 N
ATOM 1608 CA HIS B 72 78 922 -19 519 13 711 1 00 3 02 C
ATOM 1609 CB HIS B 72 79 925 -20 539 14 312 1 00 3 02 C
ATOM 1610 CG HIS B 72 81 361 -20 337 13 894 1 00 3 02 C
ATOM 1611 NDl HIS B 72 82 241 -19 525 14 586 1 00 3 02 N
ATOM 1612 CEl HIS B 72 83 421 -19 546 13 995 1 00 3 02 C
ATOM 1613 NE2 HIS B 72 83 346 -20 351 12 950 1 00 3 02 N
ATOM 1614 CD2 HIS B 72 82 076 -20 871 12 873 1 00 3 02 C
ATOM 1615 C HIS B 72 77 462 -19 978 13 969 1 00 3 02 C
ATOM 1616 O HIS B 72 76 729 -20 350 13 034 1 00 3 02 O
ATOM 1617 N ARG B 73 77 049 -19 917 15 239 1 00 3 02 N
ATOM 1618 CA ARG B 73 75 688 -20 258 15 670 1 00 3 02 C
ATOM 1619 CB ARG B 73 75 488 -19 939 17 155 1 00 3 02 C
ATOM 1620 CG ARG B 73 76 300 -20 809 18 117 1 00 3 02 ATOM 1621 CD ARG B 73 75 968 -20 475 19 572 1 00 3 02 C
ATOM 1622 NE ARG B 73 76 855 -21 150 20 519 1 00 3 02 N
ATOM 1623 CZ ARG B 73 76 665 -21 189 21 835 1 00 3 02 C
ATOM 1624 NHl ARG B 73 75 612 -20 589 22 381 1 00 3 02 N
ATOM 1625 NH2 ARG B 73 77 531 -21 831 22 608 1 00 3 02 N
ATOM 1626 C ARG B 73 74 602 -19 552 14 879 1 00 3 02 C
ATOM 1627 O ARG B 73 73 510 -20 090 14 712 1 00 3 02 O
ATOM 1628 N ASN B 74 74 900 -18 343 14 415 1 00 3 02 N
ATOM 1629 CA ASN B 74 73 958 -17 556 13 611 1 00 3 02 C
ATOM 1630 CB ASN B 74 74 164 -16 049 13 849 1 00 3 02 C
ATOM 1631 CG ASN B 74 73 580 -15 558 15 174 1 00 3 02 C
ATOM 1632 ODl ASN B 74 72 559 -16 063 15 652 00 3 02 O
ATOM 1633 ND2 ASN B 74 74 227 -14 548 15 762 1 00 3 02 N
ATOM 1634 C ASN B 74 74 080 -17 844 12 114 1 00 3 02 C
ATOM 1635 O ASN B 74 73 070 -17 876 11 392 1 00 3 02 O
ATOM 1636 N ASP B 75 75 333 -18 029 11 677 1 00 3 02 N
ATOM 1637 CA ASP B 75 75 683 -18 305 io 284 1 00 3 02 C
ATOM 1638 CB ASP B 75 77 191 -18 141 10 041 1 00 2 02 C
ATOM 1639 CG ASP B 75 77 692 -16 709 10 283 1 00 3 02 C
ATOM 1640 ODl ASP B 75 76 874 15 774 10 434 1 00 3 02 O
ATOM 641 OD2 ASP B 75 78 927 -16 523 10 315 1 00 3 02 O
ATOM 1642 C ASP B 75 75 214 -19 692 9 860 1 00 3 02 C
ATOM 1643 O ASP B 75 74 804 -19 878 8 705 1 00 3 02 O
ATOM 1644 N MET B 76 75 257 -20 657 10 778 1 00 3 02 N
ATOM 1645 CA MET B 76 74 665 -21 991 10 520 1 00 3 02 C
ATOM 1646 CB MET B 76 75 236 -23 027 11 495 1 00 3 02 C
ATOM 1647 CG MET B 76 76 753 -23 067 11 554 1 00 3 02 C
ATOM 1648 SD MET B 76 77 332 -24 201 12 829 1 00 3 02 S
ATOM 1649 CE MET B 76 76 922 -25 753 12 054 1 00 3 02 C
ATOM 1650 C MET B 76 71 100 22 068 io 469 1 00 3 02 C
ATOM 1651 O MET B 76 72 540 -22 465 9 452 1 00 3 02 O
ATOM 1652 N GLU B 77 72 425 -21 656 11 545 1 00 3 02 N
ATOM 1653 CA GLU B 77 70 979 -21 910 11 793 1 00 3 02 C
ATOM 1654 CB GLU B 77 70 578 -21 267 13 117 1 00 3 02 C
ATOM 1655 CG GLU B 77 69 927 -22 191 14 101 1 00 3 02 C
ATOM 1656 CD GLU B 77 70 399 -21 900 15 506 1 00 3 02 C
ATOM 1657 OEl GLU B 77 70 239 -20 764 15 969 1 00 3 02 O
ATOM 1658 OE2 GLU B 77 70 957 -22 794 16 159 1 00 3 02 O
ATOM 1659 C GLU B 77 69 949 -21 499 10 719 1 00 3 02 C
ATOM 1660 O GLU B 77 69 137 -22 321 10 279 1 00 3 02 O
ATOM 1661 N THR B 78 69 964 -20 221 10 351 1 00 3 02 N
ATOM 1662 CA THR B 78 69 131 -19 673 9 277 1 00 3 02 C
ATOM 1663 CB THR B 78 69 125 -18 126 9 336 1 00 3 02 C
ATOM 1664 OGl THR B 78 67 904 -17 659 9 930 1 00 3 02 O
ATOM 1665 CG2 THR B 78 69 297 -17 504 7 961 00 3 02 C
ATOM 1666 C THR B 78 69 578 -20 165 7 893 1 00 3 02 C
ATOM 1667 O THR B 78 68 761 -20 240 6 971 1 00 3 02 O
ATOM 1668 N ILE B 79 70 869 -20 503 7 762 1 00 3 02 N
ATOM 1669 CA ILE B 79 71 420 -21 033 6 515 1 00 3 02 C
ATOM 1670 CB ILE B 79 72 951 -21 256 6 609 1 00 3 02 C
ATOM 1671 CGl ILE B 79 73 690 -20 081 5 956 1 00 3 02 C ATOM 1672 CDl ILE B 79 73 941 -20 211 4 464 1 00 3 02 C
ATOM 1673 CG2 ILE B 79 73 391 -22 602 6 006 1 00 3 02
ATOM 1674 C ILE B 79 70 665 22 278 6 102 1 00 3 02 C
ATOM 1675 O ILE B 79 70 099 -22 318 5 012 1 00 3 02 O
ATOM 1676 N TYR B 80 70 599 -23 261 6 997 1 00 3 02 N
ATOM 1677 CA TYR B 80 70 044 -24 561 6 644 1 00 3 02 C
ATOM 1678 CB TYR B 80 69 886 -25 476 7 871 1 00 3 02 C
ATOM 1679 CG TYR B 80 71 202 -25 819 8 547 1 00 3 02 C
ATOM 1680 CDl TYR B 80 71 393 -25 557 9 900 1 00 3 02 C
ATOM 1681 CEl TYR B 80 72 580 -25 854 10 522 1 00 3 02 C
ATOM 1682 CZ TYR B 80 73 603 -26 419 9 792 1 00 3 02 C
ATOM 1683 OH TYR B 80 74 794 -26 716 l0 419 1 00 3 02 O
ATOM 1684 CE2 TYR B 80 73 446 -26 682 8 441 1 00 3 02 C
ATOM 1685 CD2 TYR B 80 72 259 -26 383 7 828 1 00 3 02 C
ATOM 1686 C TYR B 80 68 748 -24 423 5 847 1 00 3 02 C
ATOM 1687 O TYR B 80 68 698 -24 886 4 702 1 00 02 O
ATOM 1688 N PRO B 81 67 725 -23 734 6 416 1 00 3 02 N
ATOM 1689 CA PRO B 81 66 404 -23 744 5 785 1 00 02 C
ATOM 1690 CB PRO B 81 65 464 -23 399 6 941 1 00 02 C
ATOM 1691 CG PRO B 81 66 273 -22 521 7 814 1 00 3 02 C
ATOM 1692 CD PRO B 81 67 727 -22 914 7 644 1 00 3 02 C
ATOM 1693 C PRO B 81 66 325 -22 710 4 679 1 00 3 02 C
ATOM 1694 O DRO B 81 65 280 -22 517 4 073 1 00 3 02 O
ATOM 1695 N PHE B 82 67 439 -22 046 4 414 1 00 3 02 N
ATOM 1696 CA PHE B 82 67 501 -21 119 3 298 1 00 3 02 C
ATOM 1697 CB PHE B 82 68 405 -19 951 3 628 1 00 3 02 C
ATOM 1698 CG PHE B 82 68 493 18 955 2 542 1 00 3 02 C
ATOM 1699 CDl PHE B 82 67 558 -17 939 2 444 1 00 3 02 C
ATOM 1700 CEl PHE B 82 67 636 -17 004 1 436 1 00 3 02 C
ATOM 1701 CZ PHE B 82 68 658 -17 084 0 506 1 00 3 02 C
ATOM 1702 CE2 PHE B 82 69 588 -18 105 0 581 1 00 3 02 C
ATOM 1703 CD2 PHE B 82 69 498 -19 037 1 597 1 00 3 02 C
ATOM 170*3 C PHE B 82 68 037 -21 812 2 059 1 00 3 02
ATOM 1705 O PHE B 82 67 570 -21 577 0 937 1 00 3 02 O
ATOM 1706 N LEU B 83 69 049 -22 647 2 279 1 00 3 02 N
ATOM 1707 CA LEU B 83 69 705 -23 361 1 201 1 00 3 02 C
ATOM 1708 CB LEU B 83 71 109 23 814 1 607 1 00 3 02 C
ATOM 1709 CG LEU B 83 71 957 -22 870 2 473 1 00 3 02 C
ATOM 1710 CDl LEU B 83 73 363 -23 417 2 651 1 00 3 02
ATOM 1711 CD2 LEU B 83 72 006 -21 437 1 956 1 00 3 02 C
ATOM 1712 C LEU B 83 68 841 -24 536 0 798 1 00 3 02 C
ATOM 1713 O LEU B 83 68 273 -24 547 -0 296 1 00 3 02 O
ATOM 1714 N PHE B 84 68 736 -25 513 1 695 1 00 3 02 N
ATOM 1715 CA PHE B 84 67 823 -26 642 1 538 1 00 3 02 C
ATOM 1716 CB PHE B 84 67 709 -27 379 2 883 1 00 3 02 C
ATOM 1717 CG PHE B 84 66 422 -28 122 3 078 1 00 3 02 C
ATOM 1718 CDl PHE B 84 66 401 -29 322 3 748 1 00 3 02 C
ATOM 1719 CEl PHE B 84 65 216 -29 995 3 929 1 00 3 02 C
ATOM 1720 CZ PHE B 84 64 043 -29 465 3 449 1 00 3 02 C
ATOM 1721 CE2 PHE B 84 64 056 -28 279 2 785 1 00 3 02 C
ATOM 1722 CD2 PHE B 84 65 230 -27 615 2 609 1 00 3 02 C ATOM 1723 C DHE B 84 66 452 -26 200 0 991 1 00 3 02 C
ATOM 1724 O PHE B 84 66 081 -26 575 -0 122 1 00 3 02 O
ATOM 1725 N LEU B 85 65 740 -25 379 1 766 1 00 3 02 N
ATOM 1726 CA LEU B 85 64 385 -24 941 1 429 1 00 3 02 C
ATOM 1727 CB LEU B 85 63 816 -20 024 2 520 1 00 3 02 C
ATOM 1728 CG LEU B 85 63 284 -24 667 3 810 1 00 3 02 C
ATOM 1729 CDl LEU B 85 62 481 -23 682 4 641 1 00 3 02 C
ATOM 1730 CD2 LEU B 85 62 420 -25 850 3 499 1 00 2 02 C
ATOM 1731 C LEU B 85 64 271 -24 294 0 056 1 00 3 02 C
ATOM 1732 O LEU B 85 63 405 24 669 0 746 1 00 3 02 O
ATOM 1733 N GLY B 86 65 146 -23 328 -0 213 1 00 2 02 N
ATOM 1734 CA GLY B 86 65 207 -22 702 -1 528 1 00 02 C
ATOM 1735 C GLY B 86 65 432 -23 695 -2 660 00 3 02 C
ATOM 1736 O GLY B 86 64 707 -23 684 -3 655 1 00 3 02 O
ATOM 1737 N PHE B 87 66 422 -24 573 -2 492 1 00 3 02 N
ATOM 1738 CA PHE B 87 66 968 -25 329 — ^ 618 1 00 3 02 C
ATOM 1739 CB PHE B 87 68 431 -25 691 -3 386 1 00 3 02 C
ATOM 1740 CG PHE B 87 69 319 -24 503 -3 304 1 00 3 02 C
ATOM 1741 CDl PHE B 87 69 698 -23 989 -2 079 1 00 3 02 C
ATOM 1742 CBl PHE B 87 70 513 -22 864 -1 988 1 00 3 02 C
ATOM 1743 CZ PHE B 87 70 939 -22 229 -3 137 1 00 3 02 C
ATOM 1744 CE2 PHE B 87 70 548 -22 720 -4 374 1 00 3 02 C
ATOM 1745 CD2 PHE B 87 69 746 -23 860 -4 455 1 00 3 02 C
ATOM 1746 C PHE B 87 66 156 -26 511 -4 086 1 00 3 02 C
ATOM 1747 O PHE B 87 66 186 -26 822 -5 278 1 00 3 02 O
ATOM 1748 N VAL B 88 65 445 -27 176 -3 170 1 00 3 02 N
ATOM 1749 CA VAL B 88 64 456 -28 189 3 568 1 00 3 02 C
ATOM 1750 CB VAL B 88 63 664 -28 773 -2 368 1 00 3 02 C
AT0*4 1751 CGl VAL B 88 63 246 -30 188 -2 671 1 00 3 02 C
ATOM 1752 CG2 VAL B 88 64 479 -28 757 -1 100 1 00 3 02 C
ATOM 1753 C VAL B 88 63 445 -27 541 -4 526 1 00 3 02 C
ATOM 1754 O VAL B 88 62 810 -28 220 -5 347 1 00 3 02 O
ATOM 1755 N TYR B 89 63 332 -26 214 -4 414 1 00 3 02 N
ATOM 1756 CA TYR B 89 62 347 -25 406 -5 130 1 00 3 02 Q
ATOM 1757 CB TYR B 89 6i 512 -24 603 -4 105 1 00 3 02 C
ATOM 1758 CG TYR B 89 61 431 -23 081 -4 250 1 00 3 02 C
ATOM 1759 CDl TYR B 89 60 207 -22 442 4 490 1 00 3 02 C
ATOM 1760 CEl TYR B 89 60 127 -21 043 -4 591 1 00 3 02 C
ATOM 1761 CZ TYR B 89 61 280 -20 290 -4 444 1 00 3 02 C
ATOM 1762 OH TYR B 89 61 247 -18 924 -4 545 1 00 3 02 O
ATOM 1763 CE2 TYR B 89 62 490 -20 900 -4 200 1 00 3 02 C
ATOM 1764 CD2 TYR B 89 62 563 -22 277 -4 093 1 00 3 02 C
ATOM 1765 C TYR B 89 62 940 -24 522 -6 232 1 00 3 02 C
ATOM 1766 O TYR B 89 62 197 23 835 6 944 1 00 3 02 O
ATOM 1767 N SER B 90 64 263 -24 529 -6 381 1 00 3 02 N
ATOM 1768 CA SER B 90 64 901 -23 697 -7 401 1 00 3 02 C
ATOM 1769 CB SER B 90 66 361 -23 413 043 1 00 3 02 C
ATOM 1770 OG SER B 90 67 073 -24 609 -6 782 1 00 3 02 O
ATOM 1771 C SER B 90 64 814 -24 361 -8 763 1 00 3 02 C
ATOM 1772 O SER B 90 64 170 -23 848 -9 681 1 00 3 02 O
ATOM 1773 N PHE B 91 65 482 25 502 8 884 1 00 3 02 N ATOM 1774 CA PHE 3 91 65 512 -26 276 -10 117 1 00 3 02 C
ATOM 1775 C3 PHE B 91 66 702 -27 242 -10 076 1 00 3 02 C
ATOM 1776 CG PHE B 91 67 913 -26 668 -9 374 1 00 3 02 C
ATOM 1777 CDl PHE 3 91 68 219 -27 026 -8 065 1 00 3 02 C
ATOM 1778 CEl PHE B 91 69 325 -26 485 -7 407 1 00 3 02 C
ATOM 1779 CZ PHE B 91 70 127 -25 562 -8 059 1 00 3 02 C
ATOM 1780 CE2 PHE B 91 69 826 -25 184 -9 362 1 00 3 02 C
ATOM 1781 CD2 PHE B 91 68 723 -25 736 -10 011 1 00 3 02 C
ATOM 1782 C PHΞ B 91 64 143 -26 969 -10 281 1 00 3 02 C
ATOM 17S3 O PHE B 91 64 002 -28 206 -10 184 1 00 3 02 O
ATOM 1784 N LEU B 92 63 139 -26 126 -10 537 1 00 3 02 N
ATOM 1785 CA LEU B 92 61 735 -26 480 -10 414 1 00 3 02
ATOM 1786 CB LEU B 92 61 351 26 467 -8 937 1 00 3 02
ATOM 1787 CG LEU B 92 60 167 -27 309 -8 490 1 00 3 02
ATOM 1788 CDl LEU B 92 60 673 -28 687 -8 128 1 00 3 02
ATOM 1789 CD2 LEU B 92 59 471 -26 663 -7 302 1 00 3 02
ATOM 1790 C LEU B 92 60 852 -25 491 -11 178 1 00 3 02
ATOM 1791 O LEU B 92 59 835 -25 896 -11 744 1 00 3 02
ATOM 1792 N GLY B 93 61 239 -24 206 -11 173 1 00 3 02
ATOM 1793 CA GLY B 93 60 530 -23 122 11 893 1 00 3 02
ATOM 1794 C GLY B 93 59 971 -21 994 -11 022 1 00 3 02
ATOM 1795 O GLY B 93 58 778 -21 981 -10 747 1 00 3 02
ATOM 1796 N PRO B 94 60 817 -21 012 -10 626 1 00 3 02
ATOM 1797 CA PRO B 94 60 510 -20 044 -9 563 1 00 3 02
ATOM 1798 CB PRO B 94 61 883 -19 827 -8 914 1 00 3 02
ATOM 1799 CG PRO B 94 62 856 -19 975 -10 056 1 00 3 02
ATOM 1800 CD PRO B 94 62 151 -20 736 -11 189 1 00 3 02 C
ATOM 1801 C PRO B 94 59 978 -18 678 -10 032 1 00 3 02 C
ATOM 1802 O PRO B 94 59 798 -18 461 -11 232 1 00 3 02 O
ATOM 1803 N ASN B 95 59 756 17 768 9 080 1 00 3 02 N
ATOM 1804 CA ASN B 95 59 331 -16 397 -9 384 1 00 3 02 C
ATOM 1805 CB ASN B 95 57 838 -16 236 -9 110 1 00 3 02 C
ATOM 1806 CG ASN B 95 56 982 -17 035 -10 083 1 00 3 02 C
ATOM 1807 ODl ASN B 95 57 377 -17 297 -11 221 1 00 3 02 O
ATOM 1808 ND2 ASN B 95 55 800 -17 420 -9 640 1 00 3 02 N
ATOM 1809 C ASN B 95 60 193 -15 299 -8 705 1 00 3 02 C
ATOM 1810 O ASN B 95 60 732 -15 523 -7 606 1 00 3 02 O
ATOM 1811 N PRO B 96 60 303 -14 107 -9 350 1 00 3 02 N
ATOM 1812 CA PRO B 96 6^ 450 -13 219 -9 104 1 00 3 02 C
ATOM 1813 CB PRO B 96 61 470 12 284 -10 336 1 00 3 02 C
ATOM 1814 CG PRO B 96 60 234 -12 625 -11 143 1 00 3 02 C
ATOM 1815 CD PRO B 96 59 349 -13 497 -10 294 1 00 3 02 C
ATOM 1816 C PRO B 96 61 381 -12 432 -7 790 1 00 3 02 C
ATOM 1817 O PRO B 96 62 191 -12 691 -6 898 1 00 3 02 O
ATOM 1818 N PHE B 97 60 434 -11 501 -7 663 1 00 3 02 N
ATOM 1819 CA PHE B 97 60 285 -10 703 -6 442 1 00 3 02 C
ATOM 1820 CB PHE B 97 59 032 -9 829 -6 514 1 00 3 02 C
ATOM 1821 CG PHE B 97 58 973 -8 932 -7 722 1 00 3 02 C
ATOM 1822 CDl PHE B 97 58 301 -9 339 -8 867 1 00 3 02 C
ATOM 1823 CEl PHE B 97 58 233 -8 511 -9 986 1 00 3 02 C
ATOM 1824 CZ PHE B 97 58 832 -7 265 -9 957 1 00 3 02 C ATOM 1825 CE2 PHE B 97 59 501 -6 852 -8 819 1 00 3 02
ATOM 1826 CD2 PHE B 97 59 564 -7 678 -7 708 1 00 3 02
ATOM 1827 C PHE B 97 60 224 -11 575 -5 182 1 00 3 02
ATOM 1828 O PHE B 97 60 509 -11 115 -4 080 1 00 3 02
ATOM 1829 N VAL B 98 59 849 -12 842 -5 359 1 00 3 02
ATOM 1830 CA VAL B 98 59 782 -13 811 -4 255 1 00 3 02
ATOM 1831 CB VAL B 98 58 659 14 863 4 477 1 00 3 02
ATOM 1832 CGl VAL B 98 58 965 -16 184 -3 781 1 00 3 02
ATOM 1833 CG2 VAL B 98 57 318 -14 293 -4 003 1 00 3 02 C
ATOM 1834 C VAL B 98 61 148 -14 448 -3 966 1 00 3 02 c
ATOM 1835 O VAL B 98 61 611 -14 457 -2 817 1 00 3 02 o
ATOM 1B36 N ALA B 99 61 803 -14 960 -5 001 1 00 3 02 N
ATOM 1837 CA ALA B 99 63 194 -15 361 -4 855 1 00 3 02 C
ATOM 1838 CB ALA B 99 63 829 -15 600 -6 217 1 00 3 02 C
ATOM 1839 C ALA B 99 S3 924 -14 245 -4 135 1 00 3 02 C
ATOM 1840 O ALA B 99 64 420 -14 425 -3 022 1 00 3 02 O
ATOM 1841 N TRP B 100 63 906 13 077 -4 778 1 00 3 02 N
ATOM 1842 CA TRP B 100 64 700 -11 886 -4 432 1 00 3 02 C
ATOM 1843 CB TRP B 100 64 587 -10 861 -5 566 1 00 3 02 C
ATOM 1844 CG TRP B 100 65 546 -11 100 -6 710 1 00 3 02 C
ATOM 1845 CDl TRP B 100 65 249 -11 597 -7 950 1 00 3 02 C
ATOM 1846 NEl TRP B 100 66 385 -11 660 -8 720 1 00 3 02 N
ATOM 1847 CE2 TRP B ioo 67 447 -11 203 -7 982 1 00 3 02 C
ATOM 1848 CD2 TRP B 100 66 955 10 837 6 711 1 00 3 02 C
ATOM 1849 CE3 TRP B ioo 67 852 -10 322 -5 759 1 00 3 02 C
ATOM 1850 CZ3 TRP B 100 69 195 -10 186 -6 102 1 00 3 02 C
ATOM 1851 CH2 TRP B 100 69 655 -10 559 -7 375 1 00 3 02 C
ATOM 1852 CZ2 TRP B 100 68 802 -11 072 -8 326 1 00 3 02 C
ATOM 1853 C TRP B 100 64 429 -11 204 -3 072 1 00 3 02 C
ATOM 1854 O TRP B 100 65 280 -10 467 -2 565 1 00 3 02 O
ATOM 1855 N MET B 101 63 247 -11 430 -2 501 1 00 3 02 N
ATOM 1856 CA MET a 101 62 975 -11 054 -1 108 1 00 3 02 C
ATOM 1857 CB MET B 101 61 461 -10 979 -0 834 1 00 3 02 C
ATOM 1858 CG MET B 101 60 809 9 625 1 114 1 00 3 02 C
ATOM 1859 SD MET B 101 59 029 -9 754 -1 458 1 00 3 02 S
ATOM 1860 CE MET B ioi 58 334 -9 330 0 147 1 00 3 02 C
ATOM 1861 C MET B 101 63 639 -12 056 -0 147 1 00 3 02 C
ATOM 1862 O MET B ioi 64 354 -11 652 0 773 1 00 3 02 O
ATOM 1863 N HIS B 102 63 415 -13 353 -0 382 1 00 3 02 N
ATOM 1864 CA HlS B 102 63 923 -14 407 0 497 1 00 3 02 C
ATOM 1865 CB HIS B 102 63 619 -15 789 0 090 1 00 3 02 C
ATOM 1866 CG HIS B 102 62 160 -16 124 -0 150 1 00 3 02 C
ATOM 1867 NDl HIS B 102 61 301 -15 897 0 901 1 00 3 02 N
ATOM 1868 CEl HIS B 102 60 090 -16 312 0 575 1 00 3 02 C
ATOM 1869 NE2 HIS B 102 60 135 -16 812 -0 645 1 00 3 02 N
ATOM 1870 CD2 HIS B 102 61 421 -16 716 -1 118 1 00 3 02 C
ATOM 1871 C HIS B 102 65 423 -14 283 0 834 1 00 3 02 C
ATOM 1872 O HIS B 102 65 839 14 579 1 956 1 00 3 02 O
ATOM 1873 N PHE B 103 66 222 -13 839 -0 131 1 00 3 02 N
ATOM 1874 CA PHE B 103 67 646 -13 591 0 098 1 00 3 02
ATOM 1875 CB PHE B 103 68 393 -13 460 -1 232 1 00 3 02 ATOM 1876 CG PHE B 103 68 194 -14 629 -2 141 1 00 3 02 C
ATOM 1877 CDl PHE B 103 67 264 -14 572 -3 174 1 00 3 02 C
ATOM 1878 CEl PHE B 103 67 052 -15 667 -4 018 1 00 3 02 C
ATOM 1879 CZ PHE B 103 67 771 -16 838 -3 824 1 00 3 02 C
ATOM 1880 CE2 PHE B 103 68 696 -16 910 -2 779 1 00 3 02 C
ATOM 1881 CD2 PHE B 103 68 908 -15 799 -1 948 1 00 3 02 C
ATOM 1882 C PHE B 103 67 890 12 361 0 962 1 00 3 02 C
ATOM 1883 O PHE B 103 68 789 -12 368 1 800 1 00 3 02 O
ATOM 1884 N LEU B 104 67 082 -11 318 0 744 1 00 3 02 N
ATOM 1885 CA LEU B 104 67 146 -10 057 1 507 1 00 3 02 C
ATOM 1886 CB LEU B 104 66 675 -8 888 0 651 1 00 3 02
ATOM 1887 CG LEU B 104 67 404 -8 696 -0 672 1 00 3 02 C
ATOM 1888 CDl LEU B 104 66 658 -7 752 -1 595 1 00 3 02 C
ATOM 1889 CD2 LEU B 104 68 835 -8 215 -0 429 1 00 3 02 C
ATOM 1890 C LEU B 104 66 345 -10 072 2 806 1 00 3 02 C
ATOM 1891 O LEU B 104 66 743 -9 432 3 779 1 00 3 02 O
ATOM 1892 N VAL B 105 65 211 -10 776 2 813 1 00 3 02 N
ATOM 1893 CA VAL B 105 64 402 -10 915 4 023 1 00 3 02 C
ATOM 1894 CB VAL B 105 62 955 -11 431 3 725 1 00 3 02 C
ATOM 1895 CGl VAL B 105 62 161 -11 623 5 004 1 00 3 02 C
ATOM 1896 CG2 VAL B 105 62 206 -10 464 2 809 1 00 3 02 C
ATOM 897 C VAL B 105 65 146 -11 811 5 015 1 00 3 02 C
ATOM 1898 O VAL B 105 65 505 -11 365 6 099 1 00 3 02 O
ATOM 1899 N PHE B 106 65 394 -13 062 4 635 1 00 3 02 N
ATOM 1900 CA PHE B 106 66 240 -13 953 5 429 1 00 3 02 C
ATOM 1901 CB PHE B 106 66 758 -15 115 4 575 1 00 3 02 C
ATOM 1902 CG PHE B 106 66 258 -16 464 4 999 1 00 3 02 C
ATOM 1903 CDl PHE B 106 64 929 -16 821 4 833 1 00 3 02 C
ATOM 1904 CEl PHE B 106 64 471 -18 081 5 225 1 00 3 02 C
ATOM 1905 CZ PHE B 106 65 345 -18 994 5 763 1 00 3 02 C
ATOM 1906 CE2 PHE B 106 66 670 -18 655 5 928 1 00 3 02 C
ATOM 1907 CD2 PHE B 106 67 129 -17 397 5 539 1 00 3 02 C
ATOM 1908 Q PHE B 106 67 432 -13 212 6 025 1 00 3 02 C
ATOM 1909 O PHE B 106 67 565 -13 140 7 254 1 00 3 02 O
ATOM 1910 N LEU B 107 68 264 -12 644 5 135 1 00 3 02 N
ATOM 1911 CA LEU B 107 69 613 -12 173 5 477 1 00 3 02 C
ATOM 1912 CB LEU B 107 70 455 -11 896 4 227 1 00 3 02 C
ATOM 1913 CG LEU B 107 71 815 -12 600 4 087 1 00 3 02 C
ATOM 1914 CDl LEU B 107 72 670 -11 838 3 070 1 00 3 02 C
ATOM 1915 CD2 LEU B 107 72 564 -12 775 5 428 1 00 3 02 C
ATOM 1916 C LEU B 107 69 607 io 952 6 355 1 00 3 02 C
ATOM 1917 O LEU B 107 70 223 -10 954 7 408 1 00 3 02 O
ATOM 19x8 N VAL B 108 68 931 -9 895 5 928 1 00 3 02 N
ATOM 1919 CA VAL B 108 68 817 -8 111 6 805 1 00 3 02 C
ATOM 1920 CB VAL B 108 68 344 -7 414 6 089 1 00 3 02 C
ATOM 1921 CGl VAL B 108 68 934 -6 207 6 802 1 00 3 02 C
ATOM 1922 CG2 VAL B 108 68 794 -7 372 4 628 1 00 3 02 C
ATOM 1923 C VAL B 108 67 953 -9 110 8 025 1 00 3 02 C
ATOM 1924 O VAL B 108 67 985 -8 404 9 080 1 00 3 02 O
ATOM 1925 N GLY B 109 67 212 -10 217 7 887 1 00 3 02 N
ATOM 1926 CA GLY B 109 66 622 -10 914 9 033 1 00 3 02 C ATOM 1927 Q GLY B 109 67 678 -11 601 9 894 1 00 3 02 C
ATOM 1928 O GLY B 109 67 394 -11 986 il 104 1 00 3 02 O
ATOM 1929 M ARG B 110 68 868 -11 831 9 333 1 00 3 02 N
ATOM 1930 CA ARG B 110 69 953 -12 503 10 074 1 00 3 02 C
ATOM 1931 CB ARG B 110 70 590 -13 617 9 230 1 00 3 02 C
ATOM 1932 CG ARG B 110 71 389 -14 610 10 044 1 00 3 02 C
ATOM 1933 CD ARG B 110 70 492 -15 218 il 090 1 00 3 02 C
ATOM 1934 NE ARG B 110 71 168 -16 170 11 963 1 00 3 02 N
ATOM 1935 CZ ARG B 110 70 528 -17 006 12 772 1 00 3 02 C
ATOM 1936 NHl ARG B no 69 194 -17 030 12 798 1 00 3 02 N
ATOM 1937 NH2 ARG B no 71 227 17 828 13 534 1 00 3 02 N
ATOM 1938 C ARG B 110 71 064 -11 579 10 610 1 00 3 02
ATOM 1939 O ARG B 110 71 482 -11 716 11 760 1 00 3 02 O
ATOM 1940 N VAL B 111 71 528 -10 647 9 771 1 00 3 02 N
ATOM 1941 CA VAL B 111 72 775 -9 894 io 000 1 00 3 02 C
ATOM 1942 CB VAL B 111 73 277 -9 206 8 699 1 00 3 02 C
ATOM 1943 CGl VAL B 111 74 640 -8 560 8 896 1 00 02 C
ATOM 1944 CG2 VAL B 111 73 371 -10 198 7 570 1 00 3 02
ATOM 1945 C VAL B 111 72 631 -8 849 11 094 1 00 3 02 C
ATOM 1946 O VAL B 111 73 587 -8 540 11 822 1 00 3 02 O
ATOM 1947 N ALA B 112 71 431 -8 288 11 190 1 00 3 02 N
ATOM 1948 CA ALA B 112 71 073 403 12 302 1 00 3 02 C
ATOM 1949 CB ALA B 112 70 044 -6 364 11 877 1 00 3 02 C
ATOM 1950 C ALA B 112 70 567 -8 245 13 486 _ 00 3 02 C
ATOM 1951 O ALA B 112 70 309 -7 697 14 596 1 00 3 02 O
ATOM 1952 N HIS B 113 70 380 -9 550 13 257 1 00 3 02 N
ATOM 1953 CA HIS B 1x3 70 277 -10 509 14 354 1 00 3 02 C
ATOM 1954 CB HIS B 113 69 438 11 728 13 942 1 00 3 02 C
ATOM 955 CG HIS B 113 69 692 -12 949 14 774 1 00 3 02 C
ATOM 1956 NDl HIS B 113 68 806 -13 404 15 726 1 00 3 02 N
ATOM 1957 CBl HIS B 113 69 296 -14 487 16 300 1 00 3 02 C
ATOM 1958 NE2 HIS B 113 70 468 -14 752 15 756 1 00 3 02 N
ATOM 1959 CD2 HIS B 113 70 740 -13 806 14 799 1 00 3 02 C
ATOM 1960 C HIS B 113 71 678 -10 924 14 826 1 00 3 02 C
ATOM 1961 O HIS B 113 71 923 -11 060 16 029 1 00 3 02 O
ATOM 1962 N THR B 114 72 597 -11 101 13 876 1 00 3 02 N
ATOM 1963 CA THR B 114 73 954 -11 620 14 164 1 00 3 02 C
ATOM 1964 CB THR B 114 74 582 -12 340 12 936 1 00 3 02 C
ATOM 1965 OGl THR B 114 73 755 -13 443 12 548 1 00 3 02 O
ATOM 1966 CG2 THR B 114 75 979 -12 847 13 259 1 00 3 02 C
ATOM 1967 C THR B 114 74 986 -10 628 14 751 1 00 3 02 C
ATOM 1968 O THR B 114 75 823 -11 033 15 566 1 00 3 02 O
ATOM 1969 N VAL B 115 74 963 -9 364 14 325 1 00 3 02 N
ATOM 1970 CA VAL B 115 75 862 -8 368 14 944 1 00 3 02 C
ATOM 1971 CB VAL B 115 76 393 —7 258 13 959 1 00 3 02
ATOM 1972 CGl VAL B 115 76 744 -5 987 14 703 1 00 3 02 C
ATOM 1973 CG2 VAL B 115 77 626 -7 729 13 221 1 00 3 02 C
ATOM 1974 C VAL B 115 75 216 -7 780 16 197 1 00 3 02 C
ATOM 1975 O VAL B 115 75 906 -7 182 17 039 1 00 3 02 O
ATOM 1976 N ALA B 116 73 901 -7 966 16 316 1 00 3 02 N
ATOM 1977 CA ALA B 116 73 183 ~7 554 17 509 1 00 3 02 C ATOM 1978 CB ALA B 116 71 678 -7 702 17 315 1 00 3 02 C
ATOM 1979 C ALA B 116 73 666 -8 424 18 648 1 00 3 02 C
ATOM 1980 O ALA B 116 74 371 _~ι 958 19 538 ]_ 00 3 02 O
ATOM 1981 N TYR B 117 73 319 9 703 18 593 1 00 3 02 N
ATOM 1982 CA TYR B 117 73 760 -10 642 19 608 1 00 3 02 C
ATOM 1983 CB TYR B 117 73 328 -12 068 19 265 1 00 3 02 C
ATOM 1984 CG TYR B 117 73 142 -12 951 20 474 1 00 3 02 C
ATOM 1985 CDl TYR B 117 72 694 -14 252 20 333 1 00 3 02
ATOM 1986 CEl TYR B 117 72 506 -15 070 21 438 1 00 3 02 C
ATOM 1987 CZ TYR B 117 72 756 -14 585 22 707 1 00 3 02 C
ATOM 1988 OH TYR B 117 72 571 -15 415 23 795 1 00 3 02 O
ATOM 1989 CE2 TYR B 117 73 210 -13 289 22 876 1 00 3 02 C
ATOM 1990 CD2 TYR B 117 73 388 -12 479 21 765 1 00 3 02 C
ATOM 1991 C TYR B 117 75 286 -10 576 19 775 1 00 3 02 C
ATOM 1992 O TYR B 117 75 819 -10 903 20 841 1 00 3 02 O
ATOM 1993 N LEU B 118 75 990 -10 158 18 724 1 00 02 N
ATOM 1994 CA LEU B 118 77 431 -10 024 18 811 1 00 3 02 C
ATOM 1995 CB LEU B 118 78 052 -9 665 17 455 1 00 3 02 C
ATOM 1996 CG LEU B 118 78 653 -10 777 16 578 1 00 3 02 C
ATOM 1997 CDl LEU B 118 78 837 -10 316 15 138 1 00 3 02 Q
ATOM 1998 CD2 LEU B 118 80 001 -11 294 17 127 1 00 3 02 C
ATOM 1999 C LEU B 118 77 793 -8 987 19 868 1 00 3 02 C
ATOM 2000 O LEU B 118 77 995 -9 329 21 030 1 00 3 02 O
ATOM 2001 N GLY B 119 77 841 -7 721 19 460 1 00 3 02 N
ATOM 2002 CA GLY B 119 78 287 -6 609 20 310 1 00 3 02 C
ATOM 2003 C GLY B 119 77 828 -6 624 21 759 1 00 3 02 C
ATOM 2004 O GLY B 119 78 638 -6 865 22 660 1 00 3 02 O
ATOM 2005 N LYS B 120 76 539 -6 359 21 983 1 00 3 02 N
ATOM 2006 CA LYS B 120 75 980 -6 315 23 329 1 00 3 02 C
ATOM 2007 CB LYS B 120 74 791 -5 358 23 391 1 00 3 02 C
ATOM 2008 CG LYS B 120 75 155 3 876 23 242 1 00 3 02 C
ATOM 2009 CD LYS B 120 73 949 -2 990 23 558 1 00 3 02 C
ATOM 2010 CE LYS B 120 74 315 -1 522 23 689 1 00 3 02 C
ATOM 2011 NZ LYS B 120 73 214 -0 754 24 341 1 00 3 02 N
ATOM 2012 C LYS B 120 75 584 -7 715 23 761 1 00 3 02 C
ATOM 2013 O LYS B 120 74 795 -8 376 23 092 1 00 3 02 O
ATOM 2014 N LEU B 121 76 150 -B 146 24 886 1 00 3 02 N
ATOM 2015 CA LEU B 121 76 127 -9 546 25 332 1 00 3 02 C
ATOM 2016 CB LEU B 121 76 937 -9 705 26 616 1 00 3 02 C
ATOM 2017 CG LEU B 121 78 200 -8 860 26 744 1 00 3 02 C
ATOM 2018 CDl LEU B 121 78 761 -8 962 28 162 1 00 3 02 C
ATOM 2019 CD2 LEU B 121 79 244 -9 252 25 681 1 00 3 02 C
ATOM 2020 C LEU B 121 74 738 -10 080 25 575 1 00 3 02 C
ATOM 2021 O LEU B 121 74 443 -11 212 25 197 1 00 3 02 O
ATOM 2022 N ARG B 122 73 919 9 244 26 216 1 00 3 02 N
ATOM 2023 CA ARG B 122 72 537 -9 538 26 616 1 00 3 02 C
ATOM 2024 CB ARG B 122 71 899 -8 299 27 279 1 00 3 02 C
ATOM 2025 CG ARG B 122 72 844 -7 527 28 218 1 00 3 02 C
ATOM 2026 CD ARG B 122 72 152 -6 432 29 019 1 00 3 02 C
ATOM 2027 NE ARG B 122 71 486 -6 953 30 215 1 00 3 02 N
ATOM 2028 CZ ARG B 122 70 928 -6 196 31 163 1 00 3 02 C ATOM 2029 NHl ARG B 122 70 957 -4 860 31 074 1 00 3 02 N
ATOM 2030 NH2 ARG B 122 70 313 -6 780 32 208 1 00 3 02 N
ATOM 2031 C ARG B 122 71 667 -10 019 25 452 1 00 3 02 C
ATOM 2032 O ARG B 122 71 594 -9 368 24 409 1 00 3 02 O
ATOM 2033 N ALA B 123 71 005 -11 158 25 652 1 00 3 02 N
ATOM 2034 CA ALA B 123 70 214 -11 798 24 600 1 00 3 02 C
ATOM 2035 CB ALA B 123 69 738 -13 168 25 035 1 00 3 02 C
ATOM 2036 C ALA B 123 69 039 -10 967 24 072 1 00 3 02 C
ATOM 2037 O ALA B 123 68 818 -10 956 22 856 1 00 3 02 O
ATOM 2038 N PRO B 124 68 288 -10 267 24 965 1 00 3 02 N
ATOM 2039 CA PRO B 124 67 135 -9 505 24 497 00 3 02 C
ATOM 2040 CB PRO B 124 67 108 -8 304 25 455 1 00 3 02 C
ATOM 2041 CG PRO B 124 68 090 -8 640 26 582 1 00 3 02 C
ATOM 2042 CD PRO B 124 68 446 10 082 26 416 1 00 3 02 C
ATOM 2043 C PRO B 124 67 322 -9 027 23 062 1 00 3 02 C
ATOM 2044 O PRO B 124 66 469 -9 264 22 211 1 00 3 02 O
ATOM 2045 N ILE B 125 68 464 -8 399 22 812 1 00 3 02 N
ATOM 2046 CA ILE B 125 68 838 866 21 504 1 00 3 02 C
ATOM 2047 CB ILE B 125 70 374 -7 498 21 465 1 00 3 02 C
ATOM 2048 CGl ILE B 125 70 693 -6 521 20 330 1 00 3 02 C
ATOM 2049 CDl ILE B 125 71 829 -5 610 20 638 1 00 3 02 C
ATOM 2050 CG2 ILE B 125 71 261 -8 746 21 417 1 00 3 02 C
ATOM 2051 C ILE B 125 68 406 -8 713 20 293 1 00 3 02 C
ATOM 2052 O ILE B 125 67 719 -8 209 19 396 1 00 3 02 O
ATOM 2053 N ARG B 126 68 778 -9 994 20 286 1 00 3 02 N
ATOM 2054 CA ARG B 126 68 491 -10 872 19 144 1 00 3 02 C
ATOM 2055 CB ARG B 126 69 316 -12 177 19 207 1 00 3 02 C
ATOM 2056 CG ARG B 126 68 749 -13 310 20 077 1 00 3 02 C
ATOM 2057 CD ARG B 126 67 809 -14 227 19 260 1 00 3 02 C
ATOM 2058 NE ARG B 126 67 484 -15 508 19 896 1 00 3 02 N
ATOM 2059 CZ ARG B 126 67 147 -16 608 19 228 1 00 3 02 C
ATOM 2060 NHl ARG B 126 67 098 -16 603 17 905 1 00 3 02 N
ATOM 2061 NH2 ARG B 126 66 874 -17 719 19 882 1 00 3 02 N
ATOM 2062 C ARG B 126 66 981 -11 126 18 944 1 00 3 02 C
ATOM 2063 O ARG B 126 66 565 -11 589 17 878 1 00 3 02 O
ATOM 2064 N SER B 127 66 178 -10 772 19 952 1 00 3 02 N
ATOM 2065 CA SER B 127 64 754 -11 123 20 008 1 00 3 02 C
ATOM 2066 CB SER B 127 64 146 -10 760 21 378 1 00 3 02 C
ATOM 2067 OG SER B 127 64 119 -9 364 21 621 1 00 3 02 O
ATOM 2068 C SER B 127 63 866 -10 628 18 844 1 00 3 02 C
ATOM 2069 O SER B 127 62 955 -11 353 18 411 1 00 3 02 O
ATOM 2070 N VAL B 128 64 111 -9 414 18 338 1 00 3 02 N
ATOM 2071 CA VAL B 128 63 297 -8 879 17 222 1 00 3 02 C
ATOM 2072 CB VAL B 128 63 166 -7 312 17 234 I^ 00 3 02 C
ATOM 2073 CGl VAL B 128 62 410 -6 808 16 002 1 00 3 02 C
ATOM 2074 CG2 VAL B 128 62 463 -6 822 18 511 1 00 3 02 C
ATOM 2075 C VAL B 128 63 748 -9 435 15 856 1 00 3 02 C
ATOM 2076 O VAL B 128 63 045 -10 262 15 267 1 00 3 02 O
ATOM 2077 N THR B 129 64 916 -9 012 15 372 1 00 3 02 N
ATOM 2078 CA THR B 129 65 424 -9 478 14 071 1 00 3 02 C
ATOM 2079 CB THR B 129 66 824 -8 903 13 741 1 00 3 02 C ATOM 2080 OGl THR B 129 67 721 -9 112 14 846 1 00 3 02 O
ATOM 2081 CG2 THR B 129 66 712 -7 429 13 406 1 00 3 02 C
ATOM 2082 C THR B 129 65 399 -11 009 13 842 1 00 3 02 C
ATOM 2083 O THR B 129 65 176 -11 463 12 713 1 00 3 02 O
ATOM 2084 N TYR B 130 65 612 -11 800 14 893 1 00 3 02 N
ATOM 2085 CA TYR B ±30 65 450 -13 261 14 111 1 00 3 02 C
ATOM 2086 CB TYR B 130 65 891 13 988 16 052 1 00 3 02 C
ATOM 2087 CG TYR B 130 64 778 -14 563 16 900 1 00 3 02 C
ATOM 2088 CDl TYR B 130 64 460 -15 912 16 821 1 00 3 02
ATOM 2089 CEl TYR B 130 63 447 -16 460 17 605 1 00 3 02
ATOM 2090 CZ TYR B 130 62 736 -15 654 18 463 1 00 3 02 C
ATOM 2091 OH TYR B 130 61 752 -16 241 19 216 1 00 3 02 O
ATOM 2092 CE2 TYR B 130 63 027 -14 298 18 559 1 00 3 02 C
ATOM 2093 CD2 TYR B 130 64 050 -13 765 17 784 1 00 3 02 C
ATOM 2094 C TYR B 130 64 011 -13 658 14 411 1 00 3 02 C
ATOM 2095 O TYR B 130 63 801 -14 673 13 725 1 00 3 02 O
ATOM 2096 N THR B 131 63 030 12 878 14 887 1 00 3 02 N
ATOM 2097 CA THR B 131 61 636 -13 068 14 470 1 00 02 C
ATOM 2098 CB THR B 131 60 590 -12 357 15 409 1 00 2 02 C
ATOM 2099 OGl THR B 131 60 355 -13 162 16 577 1 00 3 02 O
ATOM 2100 CG2 THR B 131 59 236 -12 147 14 702 1 00 3 02 C
ATOM 2101 C THR B 131 61 494 -12 602 13 020 1 00 3 02 C
ATOM 2102 O THR B 131 60 748 -13 209 12 229 1 00 3 02 O
ATOM 2103 N LEU B 132 62 232 11 549 12 668 1 00 3 02 N
ATOM 2104 CA LEU B 132 62 193 -11 028 11 306 1 00 3 02 C
ATOM 2105 CB LEU B 132 62 896 -9 672 11 201 1 00 3 02 C
ATOM 2106 CG LEU B 132 62 333 ~8 498 12 024 1 00 3 02 C
ATOM 2107 CDl LEU B 132 62 937 -7 186 11 556 1 00 3 02 C
ATOM 2108 CD2 LEU B 132 60 805 -8 399 12 013 1 00 3 02 C
AT1OM 2109 C LEU B 132 62 753 -12 017 10 282 1 00 3 02 C
ATOM 2110 O LEU B 132 62 519 -11 854 9 084 1 00 3 02 O
ATOM 2111 N ALA B 133 63 467 -13 043 10 754 1 00 3 02 N
ATOM 2112 CA ALA B 133 64 022 -14 077 9 875 1 00 3 02 C
ATOM 2113 CB ALA B 133 65 490 14 346 10 200 1 00 3 02 C
ATOM 2114 C ALA B 133 63 229 -15 372 9 896 1 00 3 02 C
ATOM 2115 O ALA B 133 63 135 -16 062 8 876 1 00 3 02 O
ATOM 2116 N GLN B 134 62 653 -15 700 11 048 1 00 3 02 N
ATOM 2117 CA GLN B 134 61 939 -16 976 11 206 1 00 3 02 C
ATOM 2118 CB GLN B 134 61 475 -17 157 12 649 1 00 3 02 C
ATOM 2119 CG GLN B 134 62 562 -17 651 13 587 1 00 3 02 C
ATOM 2120 CD GLM B 134 62 079 17 758 15 013 1 00 3 02 C
ATOM 2121 OEl GLN B 134 61 215 -16 990 15 443 1 00 3 02 O
ATOM 2122 NE2 GLN B 134 62 647 -18 697 15 766 1 00 3 02 N
ATOM 2123 C GLN B 134 60 766 -17 130 10 242 1 00 3 02 C
ATOM 2124 O GLN B 134 60 626 -18 180 9 611 1 00 3 02 O
ATOM 2125 N LEU B 135 59 955 -16 066 10 144 1 00 3 02 N
ATOM 2126 CA LEU B 135 58 771 -15 986 9 260 1 00 3 02 C
ATOM 2127 CB LEU B 135 58 043 14 625 9 434 1 00 3 02 C
ATOM 2128 CG LEU B 135 57 083 -14 373 10 625 1 00 3 02 C
ATOM 2129 CDl LEU B 135 56 756 -12 893 io 833 1 00 3 02 C
ATOM 2130 CD2 LEU B 135 55 773 -15 165 10 530 1 00 3 02 C ATOM 2131 C LEU B 135 59 060 -16 303 7 764 1 00 3 02 C
ATOM 2132 O LEU B 135 58 266 -π 003 7 122 1 00 3 02 O
ATOM 2133 H PRO B 136 60 165 -15 744 7 202 1 00 3 02 N
ATOM 2134 CA PRO B 136 60 776 16 125 5 919 1 00 3 02 C
ATOM 2135 CB PRO B 136 62 147 -15 461 5 983 1 00 3 02 C
ATOM 2136 CG PRO B 136 61 942 -14 278 6 769 1 00 3 02 C
ATOM 2137 CD PRO B 136 60 845 -14 559 7 760 1 00 3 02 C
ATOM 2138 C PRO B 136 60 954 -17 617 5 648 1 00 3 02 C
ATOM 2139 O PRO B 136 60 882 -18 023 4 489 1 00 3 02 O
ATOM 2140 N CYS B 137 61 210 -18 416 6 687 1 00 3 02 N
ATOM 2141 CA CYS B 137 61 234 19 885 6 542 1 00 3 02 C
ATOM 2142 CB CYS B 137 61 900 -20 558 7 748 1 00 3 02 C
ATOM 2143 SG CYS B 137 63 670 -20 139 7 957 1 00 3 02 S
ATOM 2144 C CYS B 137 59 818 -20 446 6 295 1 00 02 C
ATOM 2145 O CYS B 137 59 651 -21 503 5 691 1 00 3 02 O
ATOM 2146 N ALA B 138 58 802 -19 713 6 751 1 00 3 02 N
ATOM 2147 CA ALA B 138 57 403 -20 008 6 433 1 00 3 02 C
ATOM 2148 CB ALA B 138 56 481 -19 489 7 544 1 00 3 02 C
ATOM 2149 C ALA B 138 56 972 -19 433 5 071 1 00 3 02 C
ATOM 2150 O ALA B 138 56 263 -20 098 4 309 1 00 3 02 O
ATOM 2151 N SER B 139 57 377 -18 192 4 782 1 00 3 02 N
ATOM 2152 CA SER B 139 57 125 -17 589 3 465 1 00 3 02 C
ATOM 2153 CB SER B 139 57 706 -16 186 3 382 1 00 3 02 C
ATOM 2154 OG SER B 139 59 087 -16 257 3 126 1 00 3 02 O
ATOM 2155 C SER B 139 57 716 -18 470 2 359 1 00 3 02 C
ATOM 2156 O SER B 139 56 995 -18 886 1 448 1 00 3 02 O
ATOM 2157 N MET B 140 59 020 -18 762 2 460 1 00 3 02 N
ATOM 2158 CA MET B 140 59 657 -19 823 1 656 1 00 3 02 C
ATOM 2159 CB MET B 140 61 113 -20 084 2 065 1 00 3 02 C
ATOM 2160 CG MET B 140 62 047 -18 893 1 922 1 00 3 02 C
ATOM 2161 SD MET B 140 63 814 -19 275 2 082 1 00 3 02 S
ATOM 2162 CE MET B 140 64 239 -19 739 0 397 1 00 3 02 C
ATOM 2163 C MET B 140 58 857 -21 122 1 748 1 00 3 02 C
ATOM 2164 O MET B 140 58 463 -21 670 0 726 1 00 3 02 O
ATOM 2165 N ALA B 141 58 575 -21 595 2 959 1 00 3 02 N
ATOM 2166 CA ALA B 141 57 853 -22 855 3 106 1 00 3 02 C
ATOM 2167 CB ALA B 141 57 489 -23 106 4 561 1 00 3 02 C
ATOM 2168 C ALA B 141 56 609 22 931 2 208 1 00 3 02 C
ATOM 2169 O ALA B 141 56 439 -23 907 1 468 1 00 3 02 O
ATOM 2170 N LEU B 142 55 772 -21 885 2 266 1 00 3 02 N
ATOM 2171 CA LEU B 142 54 486 -21 827 1 538 1 00 3 02 C
ATOM 2172 CB LEU B 142 53 506 -20 855 2 206 1 00 3 02 C
ATOM 2173 CG LEU B 142 52 938 -21 246 3 574 1 00 3 02 C
ATOM 2174 CDl LEU B 142 52 579 -20 007 4 372 1 00 3 02 C
ATOM 2175 CD2 LEU B 142 51 732 22 154 3 450 1 00 3 02 C
ATOM 2176 C LEU B 142 54 674 -21 457 0 072 1 00 3 02 C
ATOM 2177 O LEU B 142 54 015 -22 020 -0 805 1 00 3 02 O
ATOM 2178 N GLN B 143 55 583 -20 522 -0 191 1 00 3 02 N
ATOM 2179 CA GLN B 143 55 919 -20 174 -1 565 1 00 3 02 C
ATOM 2180 CB GLN B 143 56 604 -18 796 -1 653 1 00 3 02 C
ATOM 2181 CG GLN B 143 55 575 -17 622 -1 538 1 00 3 02 C ATOM 2182 CD GLN B 143 56 183 -16 252 -1 207 1 00 3 02 C
ATOM 2183 OEl GLN B 143 57 405 -16 096 -1 121 1 00 3 02 O
ATOM 2184 NE2 GLN B 143 55 319 -15 256 -1 018 1 00 3 02 N
ATOM 2185 C GLN B 143 56 656 -21 324 -2 298 1 00 3 02 C
ATOM 2186 O GLN B 143 56 481 -21 496 -3 512 1 00 3 02 O
ATOM 2187 N ILE B 144 57 -22 148 -1 548 1 00 3 02 N
ATOM 2188 CA ILE B 144 57 941 -23 432 -2 069 1 00 3 02 C
ATOM 2189 CB ILE B 144 58 989 -24 075 -1 117 1 00 3 02 C
ATOM 2190 CGl ILE B 144 60 228 -23 197 -0 984 1 00 3 02 C
ATOM 2191 CDl ILE B 144 61 019 -23 475 0 262 1 00 3 02 C
ATOM 2192 CG2 ILE B 144 59 396 -25 474 -1 601 1 00 3 02 C
ATOM 2193 C ILE B 144 56 855 -24 496 -2 328 1 00 3 02 C
ATOM 2194 O ILE B 144 56 830 -25 140 -3 391 1 00 3 02 O
ATOM 2195 N LEO B 145 55 980 -24 697 -1 346 1 00 3 02 N
ATOM 2196 CA LEU B 145 55 000 -25 760 -1 425 1 00 02 C
ATOM 2197 CB LEU B 145 54 318 -25 960 -0 073 1 00 3 02 C
ATOM 2198 CG LEU B 145 54 893 -27 025 0 862 1 00 3 02 C
ATOM 2199 CDl LEU B 145 54 182 -26 979 2 193 1 00 3 02 C
ATOM 2200 CD2 LEU B 145 54 776 -28 403 0 250 1 00 3 02 C
ATOM 2201 C LEU B 145 53 953 -25 561 -2 518 1 00 3 02 Q
ATOM 2202 O LEU B 145 53 404 -26 534 -3 037 1 00 3 02 O
ATOM 2203 N TRP B 146 53 654 -24 312 -2 862 1 00 3 02 N
ATOM 2204 CA TRP B 146 52 617 -24 066 -3 874 1 00 3 02 C
ATOM 2205 CB TRP B 146 52 082 -22 633 -3 817 1 00 3 02 C
ATOM 2206 CG TRP B 146 51 586 -22 195 -2 467 1 00 3 02 C
ATOM 2207 CDl TRP B 146 51 720 -20 956 -1 921 1 00 3 02 C
ATOM 2208 NEl TRP B 146 51 155 -20 924 -0 671 1 00 3 02 N
ATOM 2209 CE2 TRP B 146 50 641 -22 159 -0 382 1 00 3 02 C
ATOM 2210 CD2 TRP B 146 50 897 -22 991 -1 491 1 00 3 02 C
ATOM 2211 CE3 TRP B 146 50 470 -24 327 -1 445 1 00 3 02 C
ATOM 2212 CZ3 TRP B 146 49 805 -24 783 -0 301 1 00 3 02 C
ATOM 2213 CH2 TRP B 146 49 558 -23 919 0 783 1 00 3 02 C
ATOM 2214 CZ2 TRP B 146 49 964 -22 611 0 759 1 00 3 02 C
ATOM 2215 C TRP B 146 53 102 -24 416 -5 281 1 00 3 02 C
ATOM 2216 O TRP B 146 52 357 -25 031 -6 045 1 00 3 02 O
ATOM 2217 N GLU B 147 54 333 -23 987 -5 608 1 00 3 02 N
ATOM 2218 CA GLU B 147 55 079 -24 431 -6 803 1 00 3 02 C
ATOM 2219 CB GLU B 147 56 498 -23 824 -6 789 1 00 3 02 C
ATOM 2220 CG GLU B 147 57 269 -23 861 —8 123 1 00 3 02 C
ATOM 2221 CD GLU B 147 58 655 -23 163 -8 067 1 00 3 02 C
ATOM 2222 OEl GLU B 147 58 853 -22 225 -7 262 1 00 3 02 O
ATOM 2223 OE2 GLU B 147 59 562 -23 542 -8 849 1 00 3 02 O
ATOM 2224 C GLU B 147 55 119 -25 967 -6 791 1 00 3 02 C
ATOM 2225 O GLU B 147 54 812 26 626 7 781 1 00 3 02 O
ATOM 2226 N ALA B 148 55 440 -26 516 -5 630 1 00 3 02 N
ATOM 2227 CA ALA B 148 55 415 -27 948 -5 406 1 00 3 02 C
ATOM 2228 CB ALA B 148 56 000 -28 240 -4 038 1 00 3 02 C
ATOM 2229 C ALA B 148 54 009 -28 582 —5 544 1 00 3 02 C
ATOM 2230 O ALA B 148 53 854 -29 812 -5 557 1 00 3 02 O
ATOM 2231 N ALA B 149 52 982 -27 743 -5 634 1 00 3 02 N
ATOM 2232 CA ALA B 149 51 610 28 235 5 752 1 00 3 02 C ATOM 2233 CB ALA B 119 50 726 -27 579 -4 709 1 00 3 02 C
ATOM 2234 C ALA B 149 51 063 -27 984 -7 152 1 00 3 02 C
ATOM 2235 O ALA B 149 50 171 -28 674 -7 624 1 00 3 02 O
ATOM 2236 N ARG B 150 51 617 26 978 7 809 1 00 3 02 N
AmOM 2237 CA ARG B 150 51 275 -26 648 _9 179 1 00 3 02 C
ATOM 2238 CB ARG B 150 51 878 -25 289 -9 546 1 00 3 02 C
ATOM 2239 CG ARG B 150 51 424 -24 774 -10 881 1 00 3 02 C
ATOM 2240 CD ARG B 150 52 086 -23 478 -11 216 1 00 3 02 C
ATOM 2241 NE ARG B 150 51 503 -22 913 -12 429 1 00 3 02 N
ATOM 2242 CZ ARG B 150 52 021 -21 895 -13 105 1 00 3 02 C
ATOM 2243 NHl ARG B 150 53 149 -21 320 -12 690 1 00 3 02 N
ATOM 2244 NH2 ARG B 150 51 409 -21 460 -14 202 1 00 3 02 N
ATOM 2245 C ARG B 150 51 838 -27 722 -10 088 1 00 3 02 C
ATOM 2246 O ARG B 150 51 220 -28 141 -11 078 1 00 3 02 O
ATOM 2247 N HIS B 151 53 032 -28 171 731 1 00 3 02 N
ATOM 2248 CA HIS B 151 53 713 -29 190 -10 497 1 00 3 02 C
ATOM 2249 CB HIS B 151 55 149 -29 327 -10 023 1 00 3 02 C
ATOM 2250 CG HIS B 151 55 980 -28 128 -10 338 1 00 3 02 C
ATOM 2251 NDl HIS B 151 55 904 -27 473 -11 548 1 00 3 02 N
ATOM 2252 CEl HIS B 151 56 744 -26 455 -11 548 1 00 3 02 C
ATOM 2253 NE2 HIS B 151 57 365 26 428 -10 383 1 00 3 02 N
ATOM 2254 CD2 HIS B 151 56 903 -27 462 -9 607 1 00 3 02
ATOM 2255 C HIS B 151 52 958 -30 515 -10 492 1 00 3 02 C
ATOM 2256 O HIS B 151 52 829 -31 143 -11 526 1 00 3 02 O
ATOM 2257 N LEU B 152 52 444 -30 928 -9 341 1 00 3 02 N
ATOM 2258 CA LEU B 152 51 535 -32 064 -9 289 1 00 3 02 C
ATOM 2259 CB LEU B 152 51 579 -32 731 -7 910 1 00 3 02 C
ATOM 2260 CG LEU B 152 52 891 -33 412 -7 511 1 00 3 02 C
ATOM 2261 CDl LEU B 152 52 838 -33 945 -6 085 1 00 3 02 C
ATOM 2262 CD2 LEU B 152 53 205 -34 532 -8 480 1 00 3 02 C
ATOM 2263 C LEU B 152 50 no 31 616 -9 627 00 3 02 C
ATOM 2264 O LEU B 152 49 204 -32 438 -9 809 1 00 3 02 O
ATOM 2265 N PRO C 11 57 480 -37 090 -11 546 1 00 3 02 N
ATOM 2266 CA PRO C 11 57 476 -37 944 -10 365 1 00 3 02 C
ATOM 2267 CB PRO C 11 57 241 -39 331 -10 954 1 00 3 02 C
ATOM 2268 CG PRO C 11 56 304 -39 047 -12 095 1 00 3 02 C
ATOM 2269 CD PRO C 11 56 635 -37 652 -12 610 1 00 3 02 C
ATOM 2270 C PRO C 11 58 757 -37 867 -9 539 1 00 3 02 C
ATOM 2271 O PRO C 11 58 786 -38 385 -8 427 1 00 3 02 O
ATOM 2272 N ALA C 12 59 778 -37 187 -10 061 1 00 3 02 N
ATOM 2273 CA ALA C 12 60 980 -36 866 -9 292 1 00 3 02 C
ATOM 2274 CB ALA C 12 62 027 -36 218 -10 188 1 00 3 02 C
ATOM 2275 C ALA C 12 60 580 -35 927 -8 163 1 00 3 02 C
ATOM 2276 O ALA C 12 60 474 -36 354 -7 010 1 00 3 02 O
ATOM 2277 N LEU C 13 60 341 -34 660 8 531 1 00 3 02 N
ATOM 2278 CA LEU C 13 59 763 -33 594 -7 671 1 00 3 02 C
ATOM 2279 CB LEU C 13 59 286 -32 391 -8 518 1 00 3 02 C
ATOM 2280 CG LEU C 13 59 710 -32 215 -9 983 1 00 3 02 C
ATOM 2281 CDl LEU C 13 58 991 -31 052 -10 661 1 00 3 02 C
ATOM 2282 CD2 LEU C 13 61 218 -32 075 -10 132 1 00 3 02 C
ATOM 2283 C LEU C 13 58 612 -34 058 -6 743 1 00 3 02 C ATOM 2284 O LEU C 13 58.555 -33 646 -5.585 1 00 3 02 O
ATOM 2285 N PRO C 14 57 672 -34 880 -7 .254 1 .00 3 02 N
ATOM 2286 CA PRO C 14 56 732 -35 .560 -6 .364 1 .00 3 02 C
ATOM 2287 CB PRO C 14 56 .211 -36 .699 -7 235 1 00 3 02 C
ATOM 2288 CG PRO C 14 56 157 -36 081 -8 568 1 00 3 02 C
ATOM 2289 CD PRO C 14 57 356 -35 .166 -8 665 1 .00 3 02 C
ATOM 2290 C PRO Q 14 57 .354 -36 .097 -5 .071 1 00 3 02 C
ATOM 2291 O PRO C 14 56 857 -35 .780 .974 1 .00 3 02 O
ATOM 2292 N ALA C 15 58 438 -36 .867 -5 .190 1 .00 3 02 N
ATOM 2293 CA ALA C 15 59 155 -37 .340 -4 .009 1 .00 3 .02 C
ATOM 2294 CB ALA C 15 60 271 -38 .288 -4 .406 1 .00 3 .02 C
ATOM 2295 C ALA C 15 59 708 -36 163 -3 201 1 00 3 02 C
ATOM 2296 O ALA C 15 59 615 -36 .141 -1 .969 1 00 3 .02 O
ATOM 2297 N PHE C 16 60 235 35 .174 -3 .924 1 00 3 .02 N
ATOM 2298 CA PHE C 16 60 989 -34 .046 -3 .363 1 00 3 .02 C
ATOM 2299 CB PHE C 16 61 909 -33 .462 -4 .438 1 00 3 02 C
ATOM 2300 CG PHE C 16 62 943 -34 .430 -4 .936 1 00 3 .02 C
ATOM 2301 CDl PHE C 16 62 695 -35 .212 -6 .050 1 00 3 .02 C
ATOM 2302 CEl PHE C 16 63 644 -36 111 -6 521 1 00 3 02 C
ATOM 2303 CZ PHE C 16 64 856 -36 .237 -5 869 1 00 .02 C
ATOM 2304 CE2 PHE C 16 65 117 35 462 4 .750 1 00 .02 C
ATOM 2305 CD2 PHE C 16 64 166 -34 562 -4 292 1 00 3 02 C
ATOM 2306 C PHE C 16 60 205 -32 906 -2 .698 1 00 3 .02 C
ATOM 2307 O PHE C 16 60 .774 -32 .162 -1 913 1 00 3 .02 O
ATOM 2308 N LEU C 17 58 .919 -32. .762 -2 .997 1 00 3 .02 N
ATOM 2309 CA LEU C 17 58 .163 -31 .572 -2 .554 1 00 3 .02 C
ATOM 2310 CB LEU C 17 56 879 -31 392 -3. .386 1. .00 3 .02 C
ATOM 2311 CG LEU C 17 57 .095 -31. .590 -4. .908 1 00 3. .02 C
ATOM 2312 CDl LEU C 17 55 811 -31 705 -5 691 1 00 3 02 C
ATOM 2313 CD2 LEU C 17 57. .989 -30, ,540 -5 553 1. .00 3. .02 C
ATOM 2314 C LEU C 17 57. .897 -31. ,493 1 037 1. 00 3. .02 C
ATOM 2315 O LEU C 17 57 834 -30 403 -0 471 1. 00 3. ,02 O
ATOM 2316 N LEU C 18 57 , .777 -32. 649 -0 388 1. 00 3. 02 N
ATOM 2317 CA LEU 18 57. .646 -32. 713 1 066 1. 00 3. 02 C
ATOM 2318 CB LEU C 18 56. .603 -33. 762 1 474 1. 00 3. 02 C
ATOM 2319 CG LEϋ C 18 55. .128 -33. 435 1 177 1. 00 3. 02 C
ATOM 2320 CDl LEU C 18 54. 287 -34. 708 1 119 1. 00 3. 02 C
ATOM 2321 CD2 LEU C 18 54. 523 -32. 452 2 186 1. 00 3 02 C
ATOM 2322 C LEU C 18 58 988 -32 966 1 764 1 00 3 02 C
ATOM 2323 O LEU C 18 59. 040 -33. 034 2 999 1. 00 3. 02 O
ATOM 2324 N CYS C 19 60 055 -33 098 0 966 1. 00 3 02 N
ATOM 2325 CA CYS C 19 61. 434 -33. 137 1 469 1 00 3 02 C
ATOM 2326 CB CYS C 19 62. 416 -33. 400 0. 336 1. 00 3 02 C
ATOM 2327 SG CYS C 19 61. 897 -34 728 -0. 731 1. 00 3. 02 S
ATOM 2328 C CYS C 19 61. 738 -31. 793 2. 091 1. 00 3 02 C
ATOM 2329 O CYS C 19 62 100 -31 717 3 258 1. 00 3 02 O
ATOM 2330 N SER C 20 61 558 -30 738 1. 295 1. 00 3. 02 N
ATOM 2331 CA SER C 20 61 681 -29 350 1. 742 1. 00 3 02 C
ATOM 2332 CB SER C 20 61 379 -28 375 0. 591 1. 00 3 02 C
ATOM 2333 OG SER C 20 60 037 -28 481 0 126 1 00 3 02 O
ATOM 2334 C SER C 20 60 822 -29 004 2. 976 1 00 3 02 C ATOM 2335 O SER C 20 61 324 -28 405 3 937 1 00 3 02
ATOM 2336 N THR C 21 59 550 -29 405 2 955 1 00 3 02
ATOM 2337 CA THR C 21 58 595 -28 970 3 965 1 00 3 02
ATOM 2338 CB THR C 21 57 159 -29 080 3 444 1 00 3 02
ATOM 2339 OGl THR C 21 57 092 -28 476 2 149 1 00 3 02
ATOM 2340 CG2 THR C 21 56 179 -28 384 4 391 1 00 3 02 c
ATOM 2341 C THR C 21 58 744 -29 707 5 288 1 00 3 02 c
ATOM 2342 O THR C 21 58 954 -29 069 6 311 1 00 3 02 O
ATOM 2343 N LEU C 22 58 640 -31 038 5 275 1 00 3 02 N
ATOM 2344 CA LEU C 22 58 700 -31 816 6 524 1 00 3 02 C
ATOM 2345 CB LEU C 22 58 644 33 313 6 246 1 00 3 02 C
ATOM 2346 CG LEU C 22 57 246 -33 841 5 950 1 00 3 02 C
ATOM 2347 CDl LEU C 22 57 327 -35 266 5 392 1 00 ^ 02 C
ATOM 2348 CD2 LEU C 22 56 347 -33 764 7 204 1 00 3 02 C
ATOM 2349 C LEU C 22 59 916 -31 477 7 390 1 00 3 02 C
ATOM 2350 O LEU C 22 59 838 -31 477 8 627 1 00 3 02 O
ATOM 2351 N LEU C 23 61 030 -31 168 6 730 1 00 2 02 N
ATOM 2352 CA LEU C 23 62 266 -30 800 7 412 1 00 3 02 C
ATOM 2353 CB LEU C 23 63 479 -31 135 6 538 1 00 3 02 C
ATOM 2354 CG LEU C 23 63 609 -32 620 6 169 1 00 3 02 C
ATOM 2355 CDl LEU C 23 64 219 -32 815 4 802 1 00 3 02 C
ATOM 2356 CD2 LEU C 23 64 433 -33 347 7 213 1 00 3 02 C
ATOM 2357 C LEU C 23 62 291 -29 337 7 876 1 00 3 02 C
ATOM 2358 O LEU C 23 63 238 -28 929 8 557 1 00 3 02 O
ATOM 2359 N VAL C 24 61 271 -28 554 7 504 1 00 3 02 N
ATOM 2360 CA VAL C 24 61 041 -27 243 8 137 1 00 3 02 C
ATOM 2361 CB VAL C 24 60 007 -26 367 7 389 1 00 3 02 C
ATOM 2362 CGl VAL C 24 59 891 -25 018 8 035 1 00 3 02 C
ATOM 2363 CG2 VAL C 24 60 402 -26 180 5 962 1 00 3 02 C
ATOM 2364 C VAL C 24 60 553 -27 509 9 559 1 00 3 02 C
ATOM 2365 O VAL C 24 61 080 -26 912 10 506 1 00 3 02 O
ATOM 2366 N ILE C 25 59 574 -28 424 9 689 1 00 3 02 N
ATOM 2367 CA ILE C 25 59 111 -28 974 10 983 1 00 3 02 C
ATOM 2368 CB ILE C 25 58 066 -30 111 10 790 1 00 3 02 C
ATOM 2369 CGl ILE C 25 56 870 -29 623 9 955 1 00 3 02 C
ATOM 2370 CDl ILE C 25 55 773 -30 680 9 732 1 00 3 02 C
ATOM 2371 CG2 ILE C 25 57 607 -30 685 12 140 1 00 3 02 C
ATOM 2372 C ILE C 25 60 284 29 494 11 825 1 00 3 02 C
ATOM 2373 O ILE C 25 60 204 -29 568 13 057 1 00 3 02 O
ATOM 2374 N LYS Q 26 61 374 -29 829 11 143 1 00 3 02 N
ATOM 2375 CA LYS C 26 62 533 -30 438 11 778 1 00 3 02 C
ATOM 2376 CB LYS C 26 63 058 -31 621 10 934 1 00 3 02 C
ATOM 2377 CG LYS C 26 63 844 -32 679 11 709 1 00 3 02 C
ATOM 2378 CD LYS C 26 62 991 -33 356 12 778 1 00 3 02
ATOM 2379 CE LYS C 26 63 860 -34 037 13 852 1 00 3 02
ATOM 2380 NZ LYS C 26 63 237 -33 884 15 217 1 00 3 02
ATOM 2381 C LYS C 26 63 636 -29 426 12 108 1 00 3 02
ATOM 2382 O LYS C 26 63 937 -29 222 13 281 1 00 3 02
ATOM 2383 N MET C 27 64 226 -28 790 11 095 1 00 3 02
ATOM 2384 CA MET C 27 65 299 -27 828 11 355 1 00 3 02
ATOM 2385 CB MET C 27 66 381 -27 875 10 278 1 00 3 02 ATOM 2386 CG MET C 27 67 463 -28 904 10 581 1 00 3 02 C
ATOM 2387 SD MET C 27 69 172 -28 335 10 350 1 00 3 02 S
ATOM 2388 CE MET C 27 69 395 -27 279 11 789 1 00 3 02 C
ATOM 2389 C MET C 27 64 875 -26 383 11 661 1 00 3 02 C
ATOM 2390 O MET C 27 65 621 -25 668 12 347 1 00 3 02 O
ATOM 2391 N TYR C 28 63 712 -25 932 11 179 1 00 3 02 N
ATOM 2392 CA TYR C 28 63 292 -24 557 11 528 1 00 3 02 C
ATOM 2393 CB TYR C 28 63 554 -23 553 10 397 1 00 3 02 C
ATOM 2394 CG TYR C 28 64 097 -22 251 10 930 1 00 3 02 C
ATOM 2395 CDl TYR C 28 65 437 -22 100 11 220 1 00 3 02 C
ATOM 2396 CEl TYR C 28 65 926 -20 901 11 722 1 00 3 02 C
ATOM 2397 CZ TYR C 28 65 070 -19 838 11 944 1 00 3 02 C
ATOM 2398 OH TYR C 28 65 533 -18 649 12 440 1 00 3 02 O
ATOM 2399 CE2 TYR C 28 63 743 -19 959 11 672 1 00 3 02 C
ATOM 2400 CD2 TYR C 28 63 254 -21 171 11 175 1 00 3 02 C
ATOM 2401 C TYR C 28 61 952 -24 291 12 255 1 00 3 02 C
ATOM 2402 O TYR C 28 61 803 -23 221 12 835 1 00 3 02 O
ATOM 2403 N VAL C 29 61 005 -25 232 12 260 1 00 3 02 N
ATOM 2404 CA VAL C 29 59 855 -25 073 13 166 1 00 3 02 C
ATOM 2405 CB VAL C 29 58 548 -25 795 12 705 1 00 3 02 C
ATOM 2406 CGl VAL C 29 57 371 -25 295 13 517 1 00 3 02 C
ATOM 2407 CG2 VAL C 29 58 253 -25 552 11 238 1 00 3 02 C
ATOM 2408 C VAL C 29 60 271 -25 504 14 581 1 00 3 02 C
ATOM 2409 O VAL 29 59 624 -25 151 15 567 1 00 3 02 O
ATOM 2410 N VAL c 30 61 371 -26 249 14 668 1 00 3 02 N
ATOM 2411 CA VAL c 30 61 954 -26 645 15 960 1 00 3 02 C
ATOM 2412 CB VAL 30 62 549 -28 095 15 923 1 00 3 02 C
ATOM 2413 CGl VAL C 30 63 656 -28 285 16 945 1 00 3 02 C
ATOM 2414 CG2 VAL C 30 61 456 -29 120 16 162 1 00 3 02 C
ATOM 2415 C VAL C 30 62 984 -25 615 16 442 1 00 3 02 C
ATOM 2416 O VAL C 30 63 046 -25 291 17 629 1 00 3 02 O
ATOM 2417 N ALA C 31 63 787 -25 109 15 514 1 00 3 02 N
ATOM 2418 CA ALA C 31 64 562 -23 904 15 756 1 00 3 02 C
ATOM 2419 CB ALA C 31 65 304 -23 490 14 506 1 00 3 02 C
ATOM 2420 C ALA C 31 63 657 -22 766 16 225 1 00 3 02 C
ATOM 2421 O ALA C 31 64 066 -21 999 17 081 1 00 3 02 O
ATOM 2422 N ILE C 32 62 436 -22 676 15 676 1 00 3 02 N
ATOM 2423 CA ILE C 32 61 480 -21 606 16 021 1 00 3 02 C
ATOM 2424 CB ILE C 32 60 329 -21 469 14 973 1 00 3 02 C
ATOM 2425 CGl ILE C 32 60 831 -20 753 13 717 1 00 3 02 C
ATOM 2426 CDl ILE C 32 59 826 20 731 12 540 1 00 3 02 C
ATOM 2427 CG2 ILE C 32 59 127 -20 696 15 536 1 00 3 02 C
ATOM 2428 C ILE C 32 60 966 -21 659 17 476 1 00 3 02 C
ATOM 2429 O ILE C 32 61 409 -20 866 18 300 1 00 3 02 O
ATOM 2430 N ILE C 33 60 055 -22 582 17 796 1 00 3 02 N
ATOM 2431 CA ILE C 33 59 476 ~12 672 19 158 1 00 3 02 C
ATOM 2432 CB ILE C 33 58 626 -23 968 19 359 1 00 3 02 C
ATOM 2433 CGl ILE C 33 57 213 -23 782 18 780 1 00 3 02
ATOM 2434 CDl ILE C 33 56 403 -25 132 18 563 1 00 3 02 C
ATOM 2435 CG2 ILE C 33 58 553 -24 358 20 838 1 00 3 02 C
ATOM 2436 C ILE C 33 60 558 -22 555 20 245 1 00 3 02 C ATOM 2437 O ILE C 33 60 397 -21 826 21 228 1 00 3 02 O
ATOM 2438 N THR C 34 61 673 -23 252 20 023 1 00 3 02 N
ATOM 2439 CA THR C 34 62 764 -23 347 20 984 1 00 3 02 C
ATOM 2440 CB ThR C 34 63 815 -24 405 20 560 1 00 3 02 C
ATOM 2441 OGl THR C 34 64 051 -24 314 ±9 148 1 00 3 02 O
ATOM 2442 CG2 THR C 34 63 328 -25 813 20 889 1 00 3 02 C
ATOM 2443 C THR C 34 63 421 -22 000 21 293 1 00 3 02 C
ATOM 2444 O THR C 34 64 027 -21 856 22 354 1 00 3 02 O
ATOM 2445 N GLY C 35 63 303 -21 021 20 390 1 00 3 02 N
ATOM 2446 CA GLY C 35 63 768 -19 632 20 640 1 00 3 02 C
ATOM 2447 C GLY C 35 62 656 18 695 21 079 1 00 3 02 C
ATOM 2448 O GLY C 35 62 785 -18 000 22 097 1 00 3 02 O
ATOM 2449 N GLN C 36 61 576 -18 682 20 285 1 00 3 02 N
ATOM 2450 CA GLN C 36 60 278 -18 117 20 677 1 00 3 02 C
ATOM 2451 CB GLN C 36 59 140 -18 675 19 805 1 00 3 02 C
ATOM 2452 CG GLN C 36 59 297 -18 478 18 314 1 00 3 02 C
ATOM 2453 CD GLN C 36 59 093 -17 049 17 872 1 00 3 02 C
ATOM 2454 OEl GLN C 36 58 676 -16 180 18 649 1 00 3 02 O
ATOM 2455 NE2 GLN C 36 59 379 -16 791 16 604 1 00 3 02 N
ATOM 2456 C GLN C 36 59 978 -18 421 22 141 1 00 3 02 C
ATOM 2457 O GLN C 36 59 745 -17 495 22 927 1 00 3 02 O
ATOM 2458 N VAL C 37 60 002 -19 715 22 487 1 00 3 02 N
ATOM 2459 CA VAL C 37 59 752 -20 203 23 847 1 00 3 02 C
ATOM 2460 CB VAL C 37 59 506 -21 746 23 855 1 00 3 02 C
ATOM 2461 CGl VAL C 37 60 200 -22 435 25 025 1 00 3 02 Q
ATOM 2462 CG2 VAL C 37 58 014 -22 057 23 851 1 00 3 02 C
ATOM 2463 C VAL C 37 60 849 -19 803 2" 845 1 00 3 02 C
ATOM 2464 O VAL C 37 60 545 -19 409 25 979 1 00 3 02 O
ATOM 2465 N ARG C 38 62 113 -19 870 24 426 1 00 3 02 N
ATOM 2466 CA ARG C 38 63 206 -19 605 25 354 1 00 3 02 C
ATOM 2467 CB ARG c 38 64 533 -20 197 24 881 1 00 3 02 C
ATOM 2468 CG ARG C 38 65 654 -20 086 25 906 1 00 3 02 C
ATOM 2469 CD ARG C 38 67 003 -20 104 25 216 1 00 3 02 C
ATOM 2470 NE ARG 38 68 106 -20 296 26 157 1 00 3 02 N
ATOM 2471 CZ ARG C 38 69 382 -20 003 25 901 1 00 3 02 C
ATOM 2472 NHl ARG C 38 69 737 -19 488 24 727 1 00 3 02 N
ATOM 2473 NH2 ARG C 38 70 306 -20 205 26 829 1 00 3 02 N
ATOM 2474 C ARG C 38 63 353 18 127 25 645 1 00 3 02 C
ATOM 2475 O ARG C 38 63 157 -17 713 26 783 1 00 3 02 O
ATOM 2476 N LEU C 39 63 682 -17 331 24 628 1 00 3 02 N
ATOM 2477 CA LEU C 39 63 864 -15 888 24 825 1 00 3 02 C
ATOM 2478 CB LEU C 39 63 971 -15 138 23 494 1 00 3 02 C
ATOM 2479 CG LEU C 39 65 195 -15 315 22 583 1 00 3 02 C
ATOM 2480 CDl LEU C 39 64 903 -14 681 21 256 1 00 3 02 C
ATOM 2481 CD2 LEU C 39 66 466 -14 722 23 161 1 00 3 02 C
ATOM 2482 C LEU C 39 62 723 -15 323 25 660 1 00 3 02 C
ATOM 2483 O LEU C 39 62 928 -14 380 26 423 1 00 3 02 O
ATOM 2484 N ARG C 40 61 537 -15 935 25 517 1 00 3 02 N
ATOM 2485 CA ARG C 40 60 311 -15 602 26 270 1 00 3 02 C
ATOM 2486 CB ARG C 40 59 094 -16 182 25 562 1 00 3 02 C
ATOM 2487 CG ARG C 40 58 486 -15 258 24 545 1 00 3 02 C ATOM 2488 CD ARG C 40 56 994 -15 480 24 489 1 00 3 02 C
ATOM 2489 NE ARG C 40 56 362 -14 671 23 460 1 00 3 02 N
ATOM 2190 CZ ARG C 40 55 244 -15 011 22 830 1 00 3 02 C
ATOM 2491 NHl ARG C 40 54 625 -16 155 23 118 1 00 3 02 N
ATOM 2492 NH2 ARG C 40 54 743 -14 205 21 906 1 00 3 02 N
ATOM 2493 C ARG C 40 60 283 -16 043 27 742 1 00 02 C
ATOM 2494 O ARG C 40 60 245 15 191 28 646 1 00 3 02 O
ATOM 2495 N LYS C 41 60 278 -17 364 27 971 1 00 3 02 N
ATOM 2496 CA LYS C 41 60 349 -17 941 29 328 1 00 3 02 C
ATOM 2497 CB LYS C 41 60 321 -19 480 29 289 1 00 02 C
ATOM 2498 CG LYS C 41 58 979 -20 048 28 811 1 00 02 C
ATOM 2499 CD LYS C 41 58 757 -21 530 29 132 1 00 3 02 C
ATOM 2500 CE LYS C 41 57 401 -22 008 28 559 1 00 3 02 C
ATOM 2501 NZ LYS C 41 56 742 -23 125 29 310 1 00 3 02 N
ATOM 2502 C LYS C 41 61 605 -17 452 30 040 1 00 3 02 C
ATOM 2503 O LYS C 41 61 638 -17 307 31 270 1 00 3 02 O
ATOM 2504 N LYS C 42 62 619 -17 183 29 222 1 00 3 02 N
ATOM 2505 CA LYS C 42 63 940 -16 739 29 642 1 00 3 02 C
ATOM 2506 CB LYS C 42 64 539 -15 793 28 594 1 00 3 02 C
ATOM 2507 CG LYS C 42 66 063 -15 780 28 565 1 00 3 02 C
ATOM 250B CD LYS C 42 66 641 -16 765 27 546 1 00 3 02 C
ATOM 2509 CE LYS C 42 67 309 -16 043 26 382 1 00 3 02 C
ATOM 2510 NZ LYS C 42 68 588 -15 380 26 847 1 00 3 02 N
ATOM 2511 C LYS C 42 63 976 -16 072 31 007 1 00 3 02 C
ATOM 2512 O LYS C 42 63 337 -15 035 31 226 1 00 3 02 O
ATOM 2513 N ALA C 43 64 718 -16 697 917 1 00 3 02 N
ATOM 2514 CA ALA C 43 65 089 -16 080 33 177 1 00 3 02 C
ATOM 2515 CB ALA C 43 64 989 -17 071 34 315 1 00 3 02 C
ATOM 2516 C ALA C 43 66 504 -15 545 33 041 1 00 3 02 C
ATOM 2517 O ALA C 43 67 286 -15 569 33 991 1 00 3 02 O
ATOM 2518 N PHE C 44 66 818 -15 074 31 835 1 00 3 02 N
ATOM 2519 CA PHE C 44 68 053 -14 343 31 576 1 00 3 02 C
ATOM 2520 CB PHE C 44 68 491 -14 479 30 117 1 00 3 02 C
ATOM 2521 CG PHE C 44 69 582 15 499 29 897 00 3 02 C
ATOM 2522 CDl PHE C 44 69 278 -16 849 29 804 1 00 3 02 C
ATOM 2523 CEl PHE C 44 70 281 -17 798 29 582 1 00 3 02 C
ATOM 2524 CZ PHE C 44 71 612 -17 388 29 459 1 00 3 02 C
ATOM 2525 CE2 PHE £ 44 71 916 -16 037 29 556 1 00 3 02 C
ATOM 2526 CD2 PHE C 44 70 907 -15 104 29 770 1 00 3 02 C
ATOM 2527 C PHE C 44 67 936 -12 876 31 999 1 00 3 02 C
ATOM 2528 O DHE C 44 66 841 12 310 32 017 1 00 3 02 O
ATOM 2529 N ALA C 45 69 093 -12 275 32 284 1 00 3 02 N
ATOM 2530 CA ALA C 45 69 253 -11 241 33 315 1 00 3 02 C
ATOM 2531 CB ALA C 45 67 939 -10 455 33 580 1 00 3 02 Q
ATOM 2532 C ALA C 45 69 752 -11 983 34 578 1 00 3 02 C
ATOM 2533 O ALA C 45 69 796 -11 429 35 691 1 00 3 02 O
ATOM 2534 N ASN C 46 70 145 -13 240 34 347 1 00 3 02 N
ATOM 2535 CA ASN C 46 70 550 14 215 35 359 1 00 3 02 C
ATOM 2536 CB ASN C 46 71 381 -15 319 34 703 1 00 3 02 C
ATOM 2537 CG ASN C 46 70 709 -15 901 33 467 1 00 3 02 C
ATOM 2538 ODl ASN C 46 71 275 -15 890 32 382 1 00 3 02 O ATOM 2539 ND2 ASN C 46 69 199 -16 406 33 629 1 00 3 02 N
ATOM 2540 C ASN C 46 71 322 -13 633 36 528 X 00 3 02 C
ATOM 2541 O ASN C 46 72 368 -13 029 36 324 1 00 3 02 O
ATOM 2542 N DRO C 47 70 871 -13 910 37 764 1 00 3 02 N
ATOM 2543 CA PRO C 47 71 267 -13 257 38 993 1 00 3 02 C
ATOM 2544 CB PRO C 47 71 841 -14 457 39 793 1 00 3 02 C
ATOM 2545 CG PRO C 47 71 054 -15 742 39 149 1 00 3 02 C
ATOM 2546 CD PRO C 47 70 120 -15 124 38 097 1 00 3 02 C
ATOM 2547 C PRO C 47 72 311 -12 175 38 764 1 00 3 02
ATOM 2548 O PRO C 47 73 492 -12 400 39 051 1 00 3 02 O
ATOM 2549 N GLU C 48 71 870 -11 027 38 232 1 00 3 02 N
ATOM 2550 CA GLU C 48 72 765 -9 951 37 705 1 00 3 02
ATOM 2551 CB GLU C 48 73 482 -9 173 38 834 1 00 3 02
ATOM 2552 CG GLU C 48 74 315 7 973 38 370 1 00 3 02 C
ATOM 2553 CD GLU C 48 74 874 -7 139 39 533 1 00 3 02 C
ATOM 2554 OEl GLU C 48 74 842 -7 630 40 685 1 00 3 02 O
ATOM 2555 OE2 GLU C 48 75 347 -5 992 39 302 1 00 3 02 O
ATOM 2556 C GLU C 48 73 765 -10 483 36 651 1 00 3 02 C
ATOM 2557 O GLU C 48 74 793 -11 101 36 989 1 00 3 02 O
ATOM 2558 N ASP C 49 73 451 -10 257 35 374 1 00 3 02 N
ATOM 2559 CA ASP C 49 74 182 io 942 34 307 1 00 3 02 C
ATOM 2560 CB ASP C 49 73 654 -12 375 34 140 1 00 3 02 C
ATOM 2561 CG ASP C 49 74 649 -13 300 33 481 1 00 3 02 C
ATOM 2562 ODl ASP C 49 75 841 -12 930 33 408 1 00 3 02 O
ATOM 2563 OD2 ASP C 49 74 232 -14 399 33 043 1 00 3 02 O
ATOM 2564 C ASP C 49 74 201 -10 245 32 951 1 00 3 02 C
ATOM 2565 O ASP C 49 73 158 -9 945 32 349 1 00 3 02 O
ATOM 2566 N ALA C 50 75 428 -9 975 32 520 1 00 3 02 N
ATOM 2567 CA ALA C 50 75 784 -9 822 31 129 00 3 02 C
ATOM 2568 CB ALA C 50 77 011 -8 941 31 009 1 00 3 02 C
ATOM 2569 C ALA C 50 76 098 11 249 30 699 1 00 3 02 C
ATOM 2570 O ALA C 50 77 049 -11 867 31 202 1 00 3 02 O
ATOM 2571 N LEU C 51 75 299 -11 778 29 778 1 00 3 02 N
ATOM 2572 CA LEU C 51 75 230 -13 236 29 589 1 00 3 02 C
ATOM 2573 CB LEU C 51 73 934 -13 671 28 877 1 00 3 02 C
ATOM 2574 CG LEU C 51 73 531 -13 353 27 437 1 00 3 02 C
ATOM 2575 CDl LEU C 51 74 291 -14 187 26 421 1 00 3 02 C
ATOM 2576 CD2 LEU C 51 72 042 -13 591 27 300 1 00 3 02 C
ATOM 2577 C LEU C 51 76 464 -13 959 29 033 1 00 3 02 C
ATOM 2578 O LEU C 51 77 583 -13 437 29 092 1 00 3 02 O
ATOM 2579 N ARG C 52 76 202 -15 138 28 459 1 00 3 02 N
ATOM 2580 CA ARG C 52 77 091 -16 323 28 383 1 00 3 02 C
ATOM 2581 CB ARG C 52 78 498 -16 064 27 809 1 00 3 02 C
ATOM 2582 CG ARG C 52 79 162 -14 769 28 212 1 00 3 02 C
ATOM 2583 CD ARG C 52 80 223 -14 381 27 218 1 00 3 02 C
ATOM 2584 NE ARG C 52 80 311 -12 941 26 961 1 00 3 02 N
ATOM 2585 CZ ARG C 52 80 662 -12 018 27 861 1 00 3 02 C
ATOM 2586 NHl ARG C 52 80 931 -12 355 29 121 1 00 3 02 N
ATOM 2587 NH2 ARG C 52 80 751 -10 746 27 504 1 00 3 02 N
ATOM 2588 ARG C 52 77 099 -17 025 29 739 1 00 3 02 C
ATOM 2589 O ARG C 52 76 772 -16 401 30 740 1 00 3 02 O ATOM 2590 N HIS C 53 77 423 -18 323 29 749 1 00 3 02 N
ATOM 2591 CA HIS C 53 77 292 -19 241 30 923 1 00 3 02 C
ATOM 2592 CB HIS C 53 78 208 -18 835 32 112 1 00 3 02 C
ATOM 2593 CG HIS C 53 78 195 17 368 32 431 1 00 3 02
ATOM 2594 NDl HIS C 53 79 099 -16 475 31 888 1 00 3 02 N
ATOM 2595 CEl HIS C 53 78 836 -15 256 32 330 1 00 3 02 C
ATOM 2596 NB2 HIS C 53 77 793 -15 322 33 139 1 00 3 02 N
ATOM 2597 CD2 HIS C 53 77 374 -16 631 33 221 1 00 3 02
ATOM 2598 C HIS C 53 75 839 -19 545 31 380 1 00 3 02 C
ATOM 2599 O HIS C 53 75 172 -18 709 32 009 1 00 3 02 O
ATOM 2600 N GLY C 54 75 353 20 744 31 066 1 00 3 02 N
ATOM 2601 CA GLY C 54 73 950 -21 097 31 348 1 00 3 02 C
ATOM 2602 C GLY C 54 73 762 —22 354 32 181 1 00 3 02 C
ATOM 2603 O GLY C 54 73 382 -23 411 31 650 1 00 3 02 O
ATOM 2604 N GLY C 55 74 028 -22 236 33 488 1 00 3 02 N
ATOM 2605 CA GLY C 55 73 971 -23 382 34 416 1 00 3 02 C
ATOM 2606 C GLY C 55 73 959 -23 162 35 934 1 00 3 02 C
ATOM 2607 O GLY C 55 74 485 -24 004 36 668 1 00 3 02 O
ATOM 2608 N PRO C 56 73 374 -22 042 36 426 1 00 3 02 N
ATOM 2609 CA PRO C 56 73 159 -21 943 37 880 1 00 3 02 C
ATOM 2610 CB PRO C 56 72 857 -20 458 38 082 1 00 3 02 C
ATOM 2611 CG PRO C 56 72 200 -20 053 36 814 1 00 3 02 C
ATOM 2612 CD PRO C 56 72 925 -20 818 35 736 1 00 3 02 C
ATOM 2613 C PRO C 56 71 971 -22 810 38 344 1 00 3 02 C
ATOM 2614 O PRO C 56 72 146 -24 027 38 598 1 00 3 02 O
ATOM 2615 N GLN c 57 70 784 -22 189 38 440 1 00 3 02 N
ATOM 2616 CA GLN 57 69 542 -22 894 38 783 1 00 3 02 C
ATOM 2617 CB GLN C 57 68 515 -21 961 39 424 1 00 3 02 C
ATOM 2618 CG GLN C 57 68 837 -21 622 40 870 1 00 3 02 C
ATOM 2619 CD GLN C 57 67 823 -20 710 41 522 1 00 3 02 C
ATOM 2620 OEl GLN C 57 67 181 -19 893 40 861 1 00 3 02 O
ATOM 2621 NE2 GLN C 57 67 685 -20 835 42 836 1 00 3 02 N
ATOM 2622 C GLN C 57 68 930 -23 610 37 592 1 00 3 02 C
ATOM 2623 O GLN C 57 68 759 -23 034 36 518 1 00 3 02 O
ATOM 2624 N TYR C 58 68 619 -24 884 37 830 1 00 3 02 N
ATOM 2625 CA TYR C 58 68 014 -25 848 36 890 1 00 3 02 C
ATOM 2626 CB TYR C 58 67 599 -27 089 37 689 1 00 3 02 C
ATOM 2627 CG TYR C 58 66 430 26 780 38 597 1 00 3 02 C
ATOM 2628 CDl TYR C 58 65 123 -27 021 38 177 1 00 3 02 C
ATOM 2629 CEl TYR C 58 64 040 -26 714 38 984 1 00 3 02 C
ATOM 2630 CZ TYR C 58 64 250 -26 138 40 234 1 00 3 02 C
ATOM 2631 OH TYR C 58 63 169 -25 836 41 029 1 00 3 02 O
ATOM 2632 CE2 TYR C 58 65 535 -25 875 40 676 1 00 3 02 C
ATOM 2633 CD2 TYR C 58 66 622 -26 194 39 851 1 00 3 02 C
ATOM 2634 C TYR C 58 66 798 25 345 36 074 1 00 3 02 C
ATOM 2635 O TYR C 58 66 776 -25 473 34 857 1 00 3 02 O
ATOM 2636 N CYS C 59 65 788 -24 793 36 751 1 00 3 02 N
ATOM 2637 CA CYS C 59 64 565 -24 272 36 103 1 00 3 02 £
ATOM 2638 CB ΓYS C 59 63 619 -23 612 37 128 1 00 3 02 C
ATOM 2639 SG CYS C 59 62 858 -24 662 38 408 1 00 3 02 S
ATOM 2640 C CYS C 59 64 877 -23 222 35 044 1 00 3 02 C ATOM 2641 O CYS C 59 64 043 -22 931 34 175 1 00 3 02 O
ATOM 2642 N ARG C 60 66 076 -22 650 35 161 1 00 3 02 N
ATOM 2643 CA ARG C 60 66 545 -21 540 34 352 1 00 3 02 C
ATOM 2644 03 ARG C 60 67 267 -20 546 35 270 1 00 3 02 C
ATOM 26^5 CG ARG C 60 67 625 -19 188 34 690 1 00 3 02 C
ATOM 2646 CD ARG C 60 69 127 -18 959 34 633 1 00 3 02 C
ATOM 2647 NE ARG C 60 69 661 -19 416 33 362 1 00 3 02 N
ATOM 2618 CZ ARG C 60 70 899 -19 195 32 949 T 00 3 02
ATOM 2649 NHl ARG C 60 71 710 -18 510 33 706 1 00 3 02 N
ATOM 2650 NH2 ARG C 60 71 302 -19 669 31 778 1 00 3 02 N
ATOM 2651 C ARG C 60 67 459 —22 097 33 263 1 00 3 02
ATOM 2652 O ARG C 60 67 186 -21 932 32 067 1 00 3 02 O
ATOM 2653 N SER C 61 68 502 -22 818 33 669 1 00 3 02 N
ATOM 2654 CA SER C 61 69 557 -23 222 32 747 1 00 3 02 C
ATOM 2655 CB SER C 61 70 908 -22 878 33 354 1 00 3 02 C
ATOM 2656 OG SER C 61 70 907 -23 154 34 741 1 00 3 02 O
ATOM 2657 C SER C 61 69 530 -24 681 32 261 1 00 02 C
ATOM 2658 O SER C 61 69 328 24 932 31 069 1 00 3 02 O
ATOM 2659 N ASP C 62 69 721 -25 632 33 172 1 00 3 02 N
ATOM 2660 CA ASP C 62 69 999 -27 032 32 797 1 00 3 02 C
ATOM 2661 CB ASP C 62 70 179 -27 918 34 042 1 00 3 02 C
ATOM 2662 CG ASP C 62 71 638 -28 026 34 483 1 00 3 02 C
ATOM 2663 ODl ASP C 62 72 402 -27 066 34 274 1 00 3 02 O
ATOM 2664 OD2 ASP C 62 72 021 -29 069 35 044 1 00 3 02 O
ATOM 2665 C ASP C 62 69 132 -27 739 31 717 1 00 3 02 C
ATOM 2666 O ASP C 62 69 700 -28 385 30 833 1 00 3 02 O
ATOM 2667 N PRO C 63 67 778 -27 636 31 775 1 00 3 02 N
ATOM 2668 CA PRO C 63 67 034 -28 322 30 709 1 00 3 02 C
ATOM 2669 CB PRO C 63 65 634 -28 522 31 306 1 00 3 02 C
ATOM 2670 CG PRO C 63 65 534 -27 584 32 468 1 00 3 02 C
ATOM 2671 CD PRO C 63 66 872 -26 926 32 698 1 00 3 02 C
ATOM 2672 C PRO C 63 66 968 -27 457 29 462 1 00 3 02 C
ATOM 2673 O PRO C 63 67 121 -27 954 28 354 1 00 3 02 O
ATOM 2674 N ASP C 64 66 750 -26 164 29 664 1 00 3 02 N
ATOM 2675 CA ASP C 64 66 803 -25 188 28 600 1 00 3 02 C
ATOM 2676 CB ASP C 64 66 765 -23 775 29 197 1 00 3 02 C
ATOM 2677 CG ASP C 64 66 860 -22 690 28 141 1 00 3 02 C
ATOM 2678 ODl ASP C 64 66 136 -22 786 27 118 1 00 3 02 O
ATOM 2679 OD2 ASP C 64 67 660 -21 743 28 338 1 00 3 02 O
ATOM 2680 C ASP C 64 68 053 -25 397 27 729 1 00 3 02 C
ATOM 2681 O ASP C 64 67 956 -26 044 26 675 1 00 3 02 O
ATOM 2682 N VAL 65 69 209 -24 889 28 197 1 00 3 02 N
ATOM 2683 CA VAL C 65 70 483 -24 903 27 450 1 00 3 02 C
ATOM 2684 CB VAL C 65 71 720 -24 557 28 348 1 00 3 02 C
ATOM 2685 CGl VAL C 65 73 029 -25 028 27 707 1 00 3 02 C
ATOM 2686 CG2 VAL C 65 71 803 -23 056 28 631 1 00 3 02 C
ATOM 2687 C VAL C 65 70 688 -26 237 26 753 1 00 3 02 C
ATOM 2688 O VAL C 65 71 148 -26 271 25 599 1 00 3 02 O
ATOM 2689 N GLU C 66 70 333 27 315 27 461 1 00 3 02 N
ATOM 2690 CA GLU C 66 70 302 -28 664 26 898 1 00 3 02 C
ATOM 2691 CB GLU C 66 70 009 -29 701 27 983 1 00 3 02 C ATOM 2692 CG GLU C 66 69 812 -31 115 27 483 1 00 3 02 C
ATOM 2693 CD GLU C 66 70 300 -32 139 28 475 1 00 3 02 C
ATOM 2694 OEl GLU C 66 70 303 -31 804 29 681 1 00 3 02 O
ATOM 2695 OE2 GLU C 66 70 695 -33 257 28 054 00 3 02 O
ATOM 2696 C GLU C 66 69 290 -28 739 25 753 1 00 3 02 C
ATOM 2697 O GLU 66 69 698 -28 817 24 600 1 00 3 02 O
ATOM 2698 N ARG C 67 67 993 -28 675 26 061 1 00 3 02 N
ATOM 2699 CA TARG C 67 66 951 -28 919 25 057 1 00 3 02 C
ATOM 2700 CB ARG c 67 65 550 -28 697 25 620 1 00 3 02 C
ATOM 2701 CG ARG C 67 64 880 -29 903 26 255 1 00 3 02 C
ATOM 2702 CD ARG C 67 63 407 -29 564 26 416 1 00 3 02 C
ATOM 2703 NE ARG C 67 62 822 -30 081 27 649 1 00 3 02 N
ATOM 2704 CZ ARG C 67 61 788 -29 526 28 269 1 00 3 02 C
ATOM 2705 NHl ARG C 67 61 237 28 423 27 784 1 00 3 02 N
ATOM 2706 NH2 ARG C 67 61 318 -30 058 29 386 1 00 3 02 N
ATOM 2707 C ARG C 67 67 137 -28 058 23 824 1 00 3 02 C
ATOM 2708 O ARG C 67 67 078 -28 581 22 704 1 00 3 02 O
ATOM 2709 N CYS C 68 67 333 -26 749 24 047 1 00 3 02 N
ATOM 2710 CA CYS C 68 67 706 -25 786 23 002 1 00 3 02 C
ATOM 2711 CB CYS C 68 68 416 -24 562 23 614 1 00 3 02 C
ATOM 2712 SG CYS C 68 67 417 23 251 24 372 1 00 3 02 S
ATOM 2713 C CYS C 68 68 675 -26 452 22 037 1 00 3 02 C
ATOM 2714 O CYS C 68 68 385 -26 572 20 845 1 00 3 02 O
ATOM 2715 N LEU 69 69 811 -26 895 22 595 1 00 3 02 N
ATOM 2716 CA LEU C 69 70 911 -27 530 21 868 1 00 3 02 C
ATOM 2717 CB LEU C 69 72 232 -27 390 22 636 1 00 3 02
ATOM 2718 CG LEU C 69 72 929 -26 037 22 875 1 00 3 02 C
ATOM 2719 CDl LEU c 69 74 210 -26 283 23 673 1 00 3 02 C
ATOM 2720 CD2 LEU 69 73 242 -25 231 21 590 1 00 3 02 C
ATOM 2721 C LEU Q 69 70 672 -29 004 21 570 1 00 3 02 C
ATOM 2722 O LEU C 69 71 244 29 531 20 621 1 00 3 02 O
ATOM 2723 N ARG C 70 69 829 -29 662 22 377 1 00 3 02 N
ATOM 2724 CA ARG C 70 69 450 -31 081 22 175 1 00 3 02 C
ATOM 2725 CB ARG C 70 68 679 -31 653 23 375 1 00 3 02 C
ATOM 2726 CG ARG C 70 69 561 -32 174 24 507 1 00 3 02 C
ATOM 2727 CD ARG C 70 70 504 -33 264 24 008 1 00 3 02 C
ATOM 2728 NE ARG C 70 71 611 -33 593 24 926 1 00 3 02 N
ATOM 2729 CZ ARG C 70 72 725 -34 263 24 578 1 00 3 02 C
ATOM 2730 NHl ARG C 70 72 902 -34 692 23 323 1 00 3 02 N
ATOM 2731 NH2 ARG C 70 73 676 -34 487 25 485 1 00 3 02 N
ATOM 2732 C ARG C 70 68 668 -31 315 20 890 1 00 3 02 C
ATOM 2733 O ARG C 70 69 017 -32 204 20 112 1 00 3 02 O
ATOM 2734 N ALA C 71 67 615 -30 524 20 681 1 00 3 02 N
ATOM 2735 CA ALA C 71 66 916 -30 499 19 402 1 00 3 02 C
ATOM 2736 CB ALA C 71 65 704 -29 601 19 487 1 00 3 02 C
ATOM 2737 C ALA C 71 67 868 -30 052 18 268 1 00 3 02 C
ATOM 2738 O ALA C 71 67 997 -30 755 17 257 1 00 3 02 O
ATOM 2739 N HIS C 72 68 551 -28 915 18 476 1 00 3 02 N
ATOM 2740 CA HIS C 72 69 425 -28 258 17 484 1 00 3 02 C
ATOM 2741 CB HIS C 72 70 175 -27 086 18 127 1 00 3 02 C
ATOM 2742 CG HIS C 72 69 467 -25 769 18 026 1 00 3 02 C ATOM 2743 NDl HIS C 72 68 396 -25 434 18 827 1 00 3 02 N
ATOM 2744 CEl HIS C 72 67 996 -24 211 18 529 1 00 3 02 C
ATOM 2745 NE2 HIS C 72 68 769 -23 740 17 567 1 00 3 02 N
ATOM 2746 CD2 HIS C 72 69 699 24 694 17 238 1 00 3 02 C
ATOM 2747 C HIS C 72 70 445 -29 175 16 829 1 00 3 02 C
ATOM 2748 O HIS C 72 70 417 -29 370 15 612 1 00 3 02 O
ATOM 2749 N ARG C 73 71 346 -29 712 17 652 1 00 3 02 N
ATOM 2750 CA ARG C 73 72 432 -30 595 17 207 1 00 3 02 C
ATOM 2751 CB ARG C 73 73 238 -31 106 18 402 1 00 3 02 C
ATOM 2752 CG ARG C 73 74 057 -30 059 19 109 1 00 3 02 C
ATOM 2753 CD ARG C 73 74 729 -30 659 20 315 1 00 3 02 C
ATOM 2754 NE ARG C 73 75 185 -29 611 21 217 1 00 3 02 N
ATOM 2755 CZ ARG C 73 76 101 -29 758 22 175 1 00 3 02 C
ATOM 2756 NHl ARG C 73 76 696 -30 935 22 388 1 00 3 02 N
ATOM 2757 NH2 ARG C 73 76 415 -28 709 22 932 1 00 3 02 N
ATOM 2758 C ARG C 73 71 893 -31 788 16 440 1 00 3 02 C
ATOM 2759 O ARG C 73 72 553 -32 297 15 526 1 00 3 02 O
ATOM 2760 N ASN C 74 70 696 -32 221 16 840 1 00 3 02 N
ATOM 2761 CA ASN C 74 69 985 -33 322 16 208 1 00 3 02 C
ATOM 2762 CB ASN C 74 68 947 -33 895 17 166 1 00 3 02 C
ATOM 2763 CG ASN C 74 69 568 -34 743 18 264 1 00 3 02 C
ATOM 2764 ODl ASN C 74 70 471 -35 532 18 009 1 00 3 02 O
ATOM 2765 ND2 ASN C 74 69 074 -34 590 19 491 1 00 3 02 N
ATOM 2766 C ASN C 74 69 345 -32 912 14 891 1 00 3 02 C
ATOM 2767 O ASN C 74 69 433 -33 645 13 904 1 00 3 02 O
ATOM 2768 N ASP C 75 68 721 -31 734 14 885 1 00 3 02 N
ATOM 2769 CA ASP C 75 68 229 -31 ioi 13 654 1 00 3 02 C
ATOM 2770 CB ASP C 75 67 615 -29 731 13 955 1 00 3 02 C
ATOM 2771 CG ASP 75 66 387 -29 823 14 816 1 00 3 02 C
ATOM 2772 ODl ASP 75 66 0.0 -30 958 15 186 1 00 3 02 O
ATOM 2773 OD2 ASP C 75 65 813 -28 757 15 124 1 00 3 02 O
ATOM 2774 C ASP C 75 69 352 -30 945 12 630 1 00 3 02 C
ATOM 2775 O ASP C 75 69 204 -31 334 1 459 1 00 3 02 O
ATOM 2776 N MET C 76 70 477 -30 400 13 090 1 00 3 02 N
ATOM 2777 CA MET C 76 71 676 -30 236 12 263 1 00 3 02 C
ATOM 2778 CB MET C 76 72 823 -29 648 13 099 1 00 3 02 C
ATOM 2779 CG MET C 76 72 869 -28 119 13 048 1 00 3 02 C
ATOM 2780 SD MET C 76 73 239 -27 242 14 587 1 00 3 02 S
ATOM 2781 CE MET C 76 75 008 -27 065 14 473 1 00 3 02 C
ATOM 2782 C MET C 76 72 122 -31 498 11 502 1 00 3 02 C
ATOM 2783 O MET C 76 72 253 -31 476 10 277 1 00 3 02 O
ATOM 2784 N GLU C 77 72 310 -32 601 12 219 1 00 3 02 N
ATOM 2785 CA GLU C 77 72 976 -33 781 11 642 1 00 3 02 C
ATOM 2786 CB GLU C 77 73 685 -34 604 12 725 1 00 3 02 C
ATOM 2787 CG GLU C 77 74 675 33 777 13 530 1 00 3 02 C
ATOM 2788 CD GLU C 77 75 796 -34 595 14 146 1 00 3 02 C
ATOM 2789 OEl GLU C 77 75 517 -35 602 14 847 1 00 3 02 O
ATOM 2790 OE2 GLU C 77 76 967 -34 204 13 935 1 00 3 02 O
ATOM 2791 GLU C 77 72 167 -34 674 10 687 1 00 3 02 C
ATOM 2792 O GLU C 77 72 776 -35 404 9 900 1 00 3 02 O
ATOM 2793 N THR C 78 70 832 -34 632 10 747 1 00 3 02 N ATON 2794 CA THR C 78 70 004 -35 356 9 763 1 00 3 02
ATOM 2795 CB THR C 78 68 548 -35 611 10 268 1 00 3 02
ATOM 2796 OGl THR C 78 68 472 -36 926 10 818 1 00 3 02
ATOM 2797 CG2 THR C 78 67 498 -35 508 9 142 1 00 3 02
ATOM 2798 C THR C 78 70 006 -34 622 8 431 1 00 3 02
ATOM 2799 O THR C 78 70 072 -35 247 7 370 1 00 3 02
ATOM 2800 N ILE C 79 69 935 -33 291 8 505 1 00 3 02
ATOM 2801 CA ILE C 79 69 910 -32 457 7 308 1 00 3 02
ATOM 2802 CB ILE C 79 69 973 -30 907 7 653 1 00 3 02
ATOM 2803 CGl ILE C 79 68 621 -30 243 7 368 1 00 3 02
ATOM 2804 CDl ILE C 79 68 676 -28 714 7 049 1 00 3 02
ATOM 2805 CG2 ILE C 79 71 082 -30 179 6 911 1 00 3 02
ATOM 2806 C ILE C 79 70 921 -32 974 6 247 1 00 3 02
ATOM 2807 O ILE C 79 70 499 33 645 5 293 1 00 3 02
ATOM 2808 N TYR C 80 72 225 -32 733 6 467 1 00 3 02
ATOM 2809 CA TYR C 80 73 291 -32 830 5 438 1 00 3 02
ATOM 2810 CB TYR C 80 74 689 -32 596 6 049 1 00 3 02
ATOM 2811 CG TYR C 80 74 o86 -31 821 7 340 1 00 3 02
ATOM 2812 CDl TYR C 80 75 026 -32 432 8 544 1 00 3 02
ATOM 2813 CEl TYR C 80 75 021 -31 721 9 733 1 00 3 02
ATOM 2814 CZ TYR C 80 74 662 30 388 9 723 1 00 3 02
ATOM 2815 OH TYR C 80 74 637 -29 664 io 889 1 00 3 02
ATOM 2816 CE2 TYR C 80 74 316 -29 767 8 542 1 00 3 02
ATOM 2817 CD2 TYR C 80 74 336 -30 484 7 359 1 00 3 02
ATOM 2818 C TYR C 80 73 300 -34 095 4 564 1 00 3 02
ATOM 2819 O TYR C 80 73 219 -33 988 3 333 1 00 3 02
ATOM 2820 N PRO C 81 73 369 -35 294 5 186 1 00 3 02
ATOM 2821 CA PRO C 81 73 439 -36 492 4 348 1 00 3 02
ATOM 2822 CB PRO C 81 73 430 -37 644 5 353 1 00 3 02
ATOM 2823 CG PRO C 81 73 647 -37 066 6 655 1 00 3 02
ATOM 2824 CD PRO C 81 73 322 35 618 6 624 1 00 3 02 C
ATOM 2825 C PRO C 81 72 184 -36 573 3 497 1 00 3 02 C
ATOM 2826 O PRO C 81 72 240 -36 710 2 280 1 00 3 02 O
ATOM 2827 N PHE c 82 71 051 -36 419 4 170 1 00 3 02 N
ATOM 2828 CA PHE Q 82 69 715 -36 387 3 591 1 00 3 02 C
ATOM 2829 CB PHE C 82 68 763 -36 018 4 708 1 00 3 02 C
ATOM 2830 CG PHE C 82 67 361 -36 347 4 422 1 00 3 02 C
ATOM 2831 CDl PHE 82 66 939 -37 665 4 438 1 00 3 02 C
ATOM 2832 CEl PHE C 82 65 653 -37 976 4 188 1 00 3 02 C
ATOM 2833 CZ PHE C 82 64 749 -36 965 3 917 1 00 3 02 C
ATOM 2834 CE2 PHE C 82 65 160 -35 637 3 885 1 00 3 02 C
ATOM 2835 CD2 PHE C 82 66 455 -35 341 138 1 00 3 02 C
ATOM 2836 C PHE C 82 69 458 -35 451 2 392 1 00 3 02 C
ATOM 2837 O PHE C 82 69 074 -35 916 1 316 1 00 3 02 O
ATOM 2838 N LEU C 83 69 632 -34 143 2 593 1 00 3 02 N
ATOM 2839 CA LEU C 83 69 348 -33 144 1 555 1 00 3 02 C
ATOM 2840 CB LEU C 83 69 212 -31 758 2 151 1 00 3 02 C
ATOM 2841 CG LEU C 83 69 418 -31 587 3 641 1 00 3 02 C
ATOM 2842 CDl LEU C 83 69 893 -30 180 3 866 1 00 3 02 C
ATOM 2843 CD2 LEU C 83 68 138 -31 873 4 399 1 00 3 02 C
ATOM 2844 c LEU C 83 70 436 -33 083 0 503 1 00 3 02 C ATOM 2845 O LEU C 83 70 142 -33 201 -0 680 1 00 3 02 O
ATOM 2846 N PHE C 84 71 682 -32 873 0 951 1 00 3 02 N
ATOM 2847 CA PHE C 84 72 886 -32 814 0 094 1 00 3 02 C
ATOM 2848 CB PHE C 84 74 126 -32 469 0 928 1 00 3 02 C
ATOM 2849 CG PHE C 84 75 432 -33 022 0 380 1 00 3 02 C
ATOM 2850 CDl PHE C 84 76 541 -32 216 0 269 1 00 3 02 C
ATOM 2851 CEl PHE C 84 77 746 -32 703 -0 213 1 00 02 C
ATOM 2852 CZ PHE C 84 77 855 -33 995 -0 583 1 00 3 02 C
ATOM 2853 CE2 PHE C 84 76 751 -34 831 -0 485 1 00 3 02 C
ATOM 2854 CD2 PHE C 84 75 558 -34 347 0 007 1 00 3 02 C
ATOM 2855 C PHE C 84 73 137 34 087 -0 720 1 00 3 02 C
ATOM 2856 O PHE C 84 73 445 -34 002 -1 910 1 00 3 02 O
ATOM 2857 N LEU C 85 73 030 -35 257 -0 091 1 00 3 02 N
ATOM 2858 CA LEU C 85 73 107 -36 492 -0 863 1 00 3 02 C
ATOM 2859 CB LEU C 85 73 214 -37 730 0 040 1 00 3 02 C
ATOM 2860 CG LEU C 85 74 460 -37 949 0 932 1 00 3 02 C
ATOM 2861 CDl LEU C 85 74 337 -39 250 1 718 1 00 3 02 C
ATOM 2862 CD2 LEU C 85 75 755 -37 938 0 149 1 00 3 02 C
ATOM 2863 C LEU 85 71 880 -36 555 -1 770 1 00 3 02 C
ATOM 2864 O LEU 85 71 990 -36 925 -2 949 1 00 3 02 O
ATOM 2865 N GLY 86 70 732 -36 150 -1 213 1 00 3 02 N
ATOM 2866 CA GLY C 86 69 451 -36 110 -1 927 1 00 3 02 C
ATOM 2867 C GLY C 86 69 327 -35 053 -3 015 1 00 3 02 C
ATOM 2868 O GLY C 86 68 556 -35 249 -3 955 1 00 3 02 O
ATOM 2869 N PHE C 87 70 069 -33 945 -2 889 1 00 3 02 N
ATOM 2870 CA PHE C 87 70 127 -32 920 -3 944 1 00 3 02 C
ATOM 2871 CB PHE C 87 70 643 -31 571 -3 415 1 00 3 02 C
ATOM 2872 CG PHE 87 69 599 30 745 2 704 1 00 3 02 C
ATOM 2873 CDl PHE C 87 69 338 -30 938 -1 355 1 00 3 02 C
ATOM 2874 CEl PHE C 87 68 381 -30 175 -0 688 1 00 3 02 C
ATOM 2875 CZ PHE C 87 67 684 -29 196 -1 368 1 00 3 02 C
ATOM 2876 CE2 PHE C 87 67 933 -28 992 -2 711 1 00 3 02 C
ATOM 2877 CD2 PHE C 87 68 892 -29 758 -3 375 1 00 3 02 C
ATOM 2878 C PHE C 87 70 959 -33 368 -5 159 1 00 3 02 C
ATOM 2879 O PHE C 87 70 467 -33 285 -6 292 1 00 3 02 O
ATOM 2880 N VAL C 88 72 195 -33 841 -4 934 1 00 3 02 N
ATOM 2881 CA VAL C 88 73 107 -34 182 -6 044 1 00 3 02 C
ATOM 2882 CB VAL C 88 74 400 34 907 -5 615 1 00 3 02 C
ATOM 2883 CGl VAL C 88 75 525 -34 617 -6 607 1 00 3 02 C
ATOM 2884 CG2 VAL C 88 74 813 -34 562 -4 209 1 00 3 02 C
ATOM 2885 C VAL C 88 72 451 -35 163 -6 980 1 00 3 02 C
ATOM 2886 O VAL C 88 72 364 -34 923 -8 189 1 00 3 02 O
ATOM 2887 N TYR C 89 71 997 -36 270 -6 393 1 00 3 02 N
ATOM 2888 CA TYR C 89 71 444 -37 399 -7 127 1 00 3 02 C
ATOM 2889 CB TYR C 89 71 588 -38 682 -6 284 1 00 3 02 C
ATOM 2890 CG TYR C 89 70 311 -39 229 -5 663 1 00 3 02 C
ATOM 2891 CDl TYR C 89 69 866 -40 511 -5 982 1 00 3 02 C
ATOM 2892 CEl TYR C 89 68 701 -41 023 -5 439 1 00 3 02 C
ATOM 2893 CZ TYR C 89 67 971 -40 262 -4 560 1 00 3 02 C
ATOM 2894 OH TYR C 89 66 822 -40 777 -4 021 1 00 3 02 O
ATOM 2895 CE2 TYR 89 68 382 -38 986 -4 216 1 00 3 02 C ATOM 2896 CD2 TYR C 89 69 545 -38 472 -4 767 1 00 3 02 C
ATOM 2897 C TYR C 89 69 995 -37 132 -7 582 1 00 3 02 C
ATOM 2898 O TYR C 89 69 382 -37 959 -8 262 1 00 3 02 O
ATOM 2899 N SER C 90 69 471 35 962 -7 216 1 00 3 02 N
ATOM 2900 CA SER C 90 68 095 -35 592 -7 520 1 00 3 02 C
ATOM 2901 CB SER C 90 67 612 -34 504 -6 557 1 00 3 02 C
ATOM 2902 OG SER C 90 68 395 -33 326 -6 657 1 00 3 02 O
ATOM 2903 C SER C 90 67 929 -35 102 -8 950 1 00 3 02 C
ATOM 2904 O SER C 90 67 155 -35 667 -9 729 1 00 3 02 O
ATOM 2905 N PHE C 91 68 636 -34 024 -9 277 1 00 3 02 N
ATOM 2906 CA PHE C 91 68 545 33 436 10 604 1 00 3 02 C
ATOM 2907 CB PHE C 91 68 920 -31 941 -10 590 1 00 3 02 C
ATOM 2908 CG PHE C 91 68 285 -31 169 -9 463 1 00 3 02 C
ATOM 2909 CDl PHE C 91 69 052 -30 714 -8 399 1 00 3 02 C
ATOM 2910 CEl PHE C 91 68 473 -30 021 -7 346 1 00 3 02 C
ATOM 2911 CZ PHE C 91 67 098 -29 771 -7 345 1 00 3 02 C
ATOM 2912 CE2 PHE C 91 66 313 -30 228 -8 400 1 00 3 02 C
ATOM 2913 CD2 PHE C 91 66 911 -30 923 -9 454 1 00 3 02 C
ATOM 2914 C PHE C 91 69 470 -34 277 -11 457 1 00 3 02 C
ATOM 2915 O PHE C 91 70 680 -33 989 -11 568 1 00 3 02 O
ATOM 2916 N LEU C 92 68 887 -35 336 -12 034 1 00 3 02 N
ATOM 2917 CA LEU C 92 69 660 -36 487 -12 489 1 00 3 02 C
ATOM 2918 CB LEU C 92 70 532 -36 972 -11 322 1 00 3 02 C
ATOM 2919 CG LEU C 92 71 638 -37 983 -11 558 1 00 3 02 C
ATOM 2920 CDl LEU C 92 72 568 -37 515 -12 649 1 00 3 02 C
ATOM 2921 CD2 LEU C 92 72 375 -38 226 -10 274 1 00 3 02 C
ATOM 2922 C LEU C 92 68 795 -37 651 -13 001 1 00 3 02 C
ATOM 2923 O LEU C 92 69 233 -38 470 13 807 1 00 3 02 O
ATOM 2924 N GLY C 93 67 563 -37 729 -12 524 1 00 3 02 N
ATOM 2925 CA GLY C 93 66 679 -38 836 -12 876 1 00 3 02 C
ATOM 2926 C GLY C 93 66 810 -39 929 -11 838 1 00 3 02 C
ATOM 2927 O GLY C 93 67 703 -40 770 -11 958 1 00 3 02 O
ATOM 2928 N PRO C 94 65 972 -39 870 -10 774 1 00 3 02 N
ATOM 2929 CA 0RO C 94 65 825 -40 884 -9 739 1 00 3 02 C
ATOM 2930 CB PRO C 94 65 884 -40 042 -8 458 1 00 3 02 C
ATOM 2931 CG PRO C 94 65 325 -38 636 -8 902 1 00 3 02 C
ATOM 2932 CD PRO 94 65 159 -38 693 -10 425 1 00 3 02 C
ATOM 2933 C PRO C 94 64 480 41 603 9 828 1 00 3 02 C
ATOM 2934 O PRO C 94 63 868 -41 624 -10 898 1 00 3 02 O
ATOM 2935 N ASN C 95 64 042 -42 188 -8 712 1 00 3 02 N
ATOM 2936 CA ASN C 95 62 772 -42 922 -8 640 1 00 3 02 C
ATOM 2937 CB ASN C 95 63 029 -44 415 -8 829 1 00 3 02 C
ATOM 2938 CG ASN C 95 63 404 -44 767 -10 253 1 00 3 02 C
ATOM 2939 ODl ASN C 95 62 794 -44 291 -11 206 1 00 3 02 O
ATOM 2940 ND2 ASN C 95 64 397 -45 633 -10 405 1 00 3 02 N
ATOM 2941 C ASN C 95 62 011 -42 671 -7 323 1 00 3 02
ATOM 2942 O ASN C 95 62 657 -42 571 -6 275 1 00 3 02 O
ATOM 2943 N PRO C 96 60 654 -42 596 -7 369 1 00 3 02 N
ATOM 2944 CA PRO C 96 59 819 -42 204 -6 212 00 3 02 C
ATOM 2945 CB PRO C 96 58 373 -42 241 -6 759 1 00 3 02 C
ATOM 2946 CG PRO C 96 58 502 -42 276 -8 233 1 00 3 02 C ATOM 29^7 CD PRO C 96 59 833 -42 917 -8 550 1 00 3 02
ATOM 2948 C PRO C 96 59 968 -43 121 -4 983 1 00 3 02
ATOM 2949 O DRO C 96 60 551 -42 693 -3 995 1 00 3 02
ATOM 2950 N PHE C 97 59 433 -44 347 -5 045 1 00 3 02
ATOM 2951 CA PHE C 97 59 560 -45 354 -3 980 1 00 3 02
ATOM 2952 CB PHE C 97 59 645 -Δ6 770 -4 574 1 00 3 02
ATOM 2953 CG PHE C 97 58 318 -47 428 -4 891 1 00 3 02
ATOM 2954 CDl PHE C 97 57 978 47 703 6 213 1 00 3 02
ATOM 2955 CEl PHE C 97 56 785 -48 339 -6 531 1 00 3 02
ATOM 2956 CZ PHE C 97 55 917 -48 725 -5 517 1 00 3 02
ATOM 2957 CE2 PHE C 97 56 257 -48 481 -4 185 1 00 3 02
ATOM 2958 CD2 PHE C 97 57 457 -47 847 -3 879 1 00 3 02 C
ATOM 2959 C PHE C 97 60 855 -45 125 -3 224 1 00 3 02 C
ATOM 2960 O PHE C 97 60 850 -44 871 -2 021 1 00 3 02 O
ATOM 2961 N VAL C 98 61 955 -45 240 3 973 1 00 3 02 N
ATOM 2962 CA VAL C 98 63 328 -45 120 -3 502 1 00 3 02 C
ATOM 2963 CB VAL C 98 64 275 -45 127 -4 723 1 00 3 02 C
ATOM 2964 CGl VAL C 98 65 487 -44 230 -4 514 1 00 3 02 C
ATOM 2965 CG2 VAL C 98 64 674 -46 573 -5 084 1 00 3 02 C
ATOM 2966 VAL C 98 63 533 -43 882 -2 645 1 00 3 02 C
ATOM 2967 O VAL C 98 63 808 -44 000 -1 450 1 00 3 02 O
ATOM 2968 N ALA C 99 63 361 -42 712 -3 273 1 00 3 02 N
ATOM 2969 CA ALA C 99 63 432 -41 382 -2 637 1 00 3 02 C
ATOM 2970 CB ALA C 99 63 504 -40 285 -3 700 1 00 3 02 C
ATOM 2971 C ALA C 99 62 267 41 123 -1 676 1 00 3 02 C
ATOM 2972 O ALA C 99 62 264 -40 132 -0 955 1 00 3 02 O
ATOM 2973 N TRP C 100 61 278 -42 016 -1 672 1 00 3 02 N
ATOM 2974 CA TRP C 100 60 233 -42 024 -0 650 1 00 3 02 C
ATOM 2975 CB TRP C ioo 58 955 -42 651 -1 188 1 00 3 02 C
ATOM 2976 CG TRP C 100 58 071 -41 732 -1 948 1 00 3 02 C
ATOM 2977 CDl TRP C 100 58 029 -41 574 -3 296 1 00 3 02 C
ATOM 2978 NEl TRP C ioo 57 079 -40 659 -3 642 1 00 3 02 N
ATOM 2979 CE2 TRP C 100 56 466 -40 208 -2 504 1 00 3 02 C
ATOM 2980 CD2 TRP C 100 57 069 -40 869 -1 413 1 00 3 02 C
ATOM 2981 CE3 TRP C ioo 56 618 -40 585 -0 117 1 00 3 02 C
ATOM 2982 CZ3 TRP C 100 55 583 -39 648 0 046 1 00 3 02 C
ATOM 2983 CH2 TRP C ioo 55 001 -39 008 -1 064 1 00 3 02 C
ATOM 2984 CZ2 TRP C 100 55 428 -39 273 -2 342 1 00 3 02 C
ATOM 2985 C TRP C 100 60 667 -42 806 0 583 1 00 3 02 C
ATOM 2986 O TRP C 100 60 305 -42 462 1 703 1 00 3 02 O
ATOM 2987 N MET C 101 61 418 -43 879 0 373 1 00 3 02 N
ATOM 2988 CA MET C ioi 61 914 44 682 1 483 1 00 3 02 C
ATOM 2989 CB MET C 101 62 559 -45 988 0 989 1 00 3 02 C
ATOM 2990 CG MET C ioi 61 565 -47 151 0 800 1 00 3 02 C
ATOM 2991 SD MET C 101 62 322 -48 801 0 737 1 00 3 02 S
ATOM 2992 CE MET C 101 62 884 -49 019 2 435 2 00 3 02 C
ATOM 2993 C MET C 101 62 912 -43 856 2 272 1 00 3 02 C
ATOM 2994 O MET C 101 62 783 -43 687 3 489 1 00 3 02 O
ATOM 2995 N HIS C 102 63 891 -43 324 1 553 1 00 3 02 N
ATOM 2996 CA HIS C 102 64 930 -42 513 2 145 1 00 3 02 C
ATOM 2997 CB HIS C 102 65 974 -42 158 1 087 1 00 3 02 C ATOM 2998 CG HIS C 102 66 834 -43.319 0.667 1.00 3 02
ATOM 2999 NDi HIS C 102 67.328 -44.248 1 560 1 00 3 02
ATOM 3000 CEl HIS C 102 68 058 -45.135 0 909 1.00 3 02
ATOM 3001 ME2 HIS C 102 68 071 -44.807 -0.369 1.00 3 02
ATOM 3002 CD2 HIS C 102 67 315 -43 676 -0 547 1.00 3.02
ATOM 3003 C HIS C 102 64 393 -41.282 2.901 1 00 3.02
ATOM 3004 O HIS C 102 64 787 -41 056 4.045 1 00 3.02 O
ATOM 3005 N PHE C 103 63 478 -40.522 2.300 1 00 3.02 N
ATOM 3006 CA PHE C 103 62 895 -39 359 2.985 1 00 3 02 C
ATOM 3007 CB PHE C 103 62 158 -38.435 2 000 1 00 3.02 C
ATOM 3008 CG PHE C 103 63 072 -37.778 0 984 i oo 3.02 C
ATOM 3009 CDl PHE C 103 63 337 -38 382 -0 234 1 00 3 02 C
ATOM 3010 CEl PHE C 103 64 186 -37.781 -1.182 1 00 3 02 C
ATOM 3011 CZ PHE C 103 64 789 -36.568 -0.908 1 00 3.02 C
ATOM 3012 CE2 PHE C 103 64 548 -35 953 0.310 1 00 3.02 C
ATOM 3013 CD2 PHE C 103 63 677 -36.558 1.249 1 00 3.02 C
ATOM 3014 C PHE C 103 62 074 -39.695 4.256 1 00 3 02 C
ATOM 3015 O PHE C 103 62 272 -39.065 5.297 1 00 3 02 O
ATOM 3016 N LEU C 104 61 201 -40 707 4 179 1 00 3 02 N
ATOM 3017 CA LEU C 104 60 383 -41.174 5.333 1.00 3.02 C
ATOM 3018 CB LEU C 104 59 338 42 217 4.897 i.oo 3 02 C
ATOM 3019 CG LEU C 104 57 937 -41 807 4 432 i.oo 3.02 C
ATOM 3020 CDl LEU C 104 57.165 -43.046 3 973 1.00 3.02 C
ATOM 3021 CD2 LEU C 104 57.160 -41 059 5 523 1.00 3.02 C
ATOM 3022 C LEU C 104 61.163 -41.741 6 542 1.00 3.02 C
ATOM 3023 O LEU C 104 61 081 -41.184 7 646 1.00 3 02 O
ATOM 3024 N VAL C 105 61.884 -42 849 6 331 i.oo 3.02 N
ATOM 3025 CA VAL C 105 62.602 -43.578 7 391 1.00 3.02 C
ATOM 3026 CB VAL C 105 63 355 -44 791 6 804 1 00 3 02 C
ATOM 3027 CGl VAL C 105 64.407 -45 326 7 778 i.oo 3.02 C
ATOM 3028 CG2 VAL C 105 62.382 45.888 6 407 1.00 3.02 C
ATOM 3029 C VAL C 105 63 573 -42 714 8 210 1.00 3.02 C
ATOM 3030 O VAL C 105 63.616 -42.823 9 438 1.00 3 02 O
ATOM 3031 N PHE C 106 64.352 -41.881 7 508 1.00 3.02 N
ATOM 3032 CA PHE C 106 65.240 -40.857 8.096 i oo 3.02 C
ATOM 3033 CB PHE C 106 65.714 -39.895 7 009 1.00 3.02 C
ATOM 3034 CG PHE C 106 67.142 -40 069 6.594 1.00 3.02 C
ATOM 3035 CDl PHE C 106 67.492 -40.995 5.621 1 00 3 02 C
ATOM 3036 CEl PHE C 106 68 827 -41 133 5 218 1 00 3 02 C
ATOM 3037 CZ PHE C 106 69.822 -40 320 5 775 1.00 3 02 C
ATOM 3038 CE2 PHE C 106 69.481 -39 373 6 727 1 00 3.02 C
ATOM 3039 CD2 PHE C 106 68.139 -39 248 7.129 1 00 3 02 C
ATOM 3040 C PHE C 106 64.543 -40 007 9 158 1 00 3 02 C
ATOM 3041 O PHE C 106 65.018 -39 911 10 296 1 00 3 02 O
ATOM 3042 N LEU C 107 63.432 -39 375 8.759 1.00 3 02 N
ATOM 3043 CA LEU C 107 62 687 -38 451 9 611 1.00 3 02 C
ATOM 3044 CB LEU C 107 61 572 -37 764 8.822 1.00 3 02 C
ATOM 3045 CG LEU C 107 61.896 -36 982 7 557 1.00 3 02 C
ATOM 3046 CDl LEU C 107 60.592 -36 561 6 896 1.00 3 02 C
ATOM 3047 CD2 LEU C 107 62.708 -35 757 7 925 1 00 3 02 C
ATOM 3048 C LEU C 107 62.073 -39.153 10.811 1 00 3 02 C ATOM 3049 O LEU C 107 62 221 -38 693 11 944 1 00 3 02 O
ATOM 3050 N VAL C 108 61 384 -40 263 10 555 1 00 3 02 M
ATOM 3051 CA VAL C 108 60 7 4 -41 018 11 603 1 00 3 02 C
ATOM 3052 CB VAL C ±08 59 648 997 11 002 1 00 3 02 C
ATOM 3053 CGl VAL C 108 59 030 -42 926 12 063 1 00 3 02 C
ATOM 3054 CG2 VAL C 108 58 541 -41 211 10 271 1 00 3 02 C
ATOM 3055 C VAL C 108 61 774 -41 718 12 461 1 00 3 02 C
ATOM 3056 O VAL C 108 61 500 -42 104 13 611 1 00 3 02 O
ATOM 3057 M GLY C 109 62 981 -41 848 11 900 1 00 3 02 N
ATOM 3058 CA GLY C 109 64 154 -42 338 12 633 1 00 3 02 C
ATOM 3059 C GLY C 109 64 881 41 258 13 420 1 00 3 02 C
ATOM 3060 O GLY C 109 65 365 -41 491 14 520 1 00 3 02 O
ATOM 3061 N ARG C 110 64 963 -40 066 12 858 1 00 3 02 N
ATOM 3062 CA ARG C no 65 587 -38 953 13 561 1 00 3 02 C
ATOM 3063 CB ARG C 110 66 160 -37 926 12 568 1 00 3 02 C
ATOM 3064 CG ARG C 110 66 614 -36 607 13 207 1 00 3 02 C
ATOM 3065 CD ARG C no 67 842 -36 806 14 098 1 00 3 02 C
ATOM 3066 NE ARG C no 69 071 -37 002 13 331 1 00 3 02 N
ATOM 3067 CZ ARG C 110 70 269 -36 556 13 697 1 00 3 02 C
ATOM 3068 NHl ARG C 110 70 411 -35 880 14 823 1 00 3 02 N
ATOM 3069 NH2 ARG C no 71 326 -36 783 12 931 1 00 3 02 N
ATOM 3070 C ARG C no 64 667 -38 249 14 586 1 00 3 02 C
ATOM 3071 O ARG C 110 65 171 -37 665 15 563 1 00 3 02 O
ATOM 3072 N VAL C 111 63 346 -38 274 14 357 1 00 3 02 N
ATOM 3073 CA VAL c 111 62 392 -37 675 15 301 1 00 3 02 C
ATOM 3074 CB VAL 111 60 958 -37 503 14 722 1 00 3 02 C
ATOM 3075 CGl VAL C 111 59 937 -37 112 15 818 1 00 3 02 C
ATOM 3076 CG2 VAL C 111 60 954 36 443 13 636 1 00 3 02 C
ATOM 3077 C VAL C 111 62 373 -38 462 16 602 1 00 3 02 C
ATOM 3078 O VAL C 111 62 445 -37 883 17 681 1 00 3 02 O
ATOM 3079 N ALA C 112 62 294 -39 779 16 507 1 00 3 02 N
ATOM 3080 CA ALA Q 112 62 447 -40 583 17 697 1 00 3 02 C
ATOM 3081 CB ALA C 112 62 210 -42 054 17 386 1 00 3 02 C
ATOM 3082 C ALA C 112 63 837 -40 352 18 329 1 00 3 02 C
ATOM 3083 O ALA C 112 63 984 -40 412 19 544 1 00 3 02 O
ATOM 3084 N HIS C 113 64 846 -40 057 17 515 1 00 3 02 N
ATOM 3085 CA HIS C 113 66 191 -39 834 18 045 1 00 3 02 C
ATOM 3086 CB HIS C 1x3 67 253 -39 906 16 944 1 00 3 02 C
ATOM 3087 CG HIS C 113 68 571 -39 336 17 360 1 00 3 02 C
ATOM 3088 NDl HIS C 113 69 605 -40 no π 840 1 00 3 02 N
ATOM 3089 CEl HIS C 113 70 624 -39 327 18 150 1 00 3 02 C
ATOM 3090 NE2 HIS C 113 70 280 -38 076 17 904 1 00 3 02 N
ATOM 3091 CD2 HIS C 113 69 003 -38 055 π 409 1 00 3 02 C
ATOM 3092 C HIS C 113 66 330 -38 519 18 809 1 00 3 02 C
ATOM 3093 O HIS C 113 66 704 -38 522 19 986 1 00 3 02 O
ATOM 3094 N THR C 114 66 070 -37 408 18 117 1 00 3 02 N
ATOM 3095 CA THR 114 66 078 -36 059 18 694 1 00 3 02 C
ATOM 3096 CB THR C 114 65 477 -35 055 17 684 1 00 3 02 C
ATOM 3097 OGl THR C 114 65 918 -35 369 16 350 1 00 3 02 O
ATOM 3098 CG2 THR C 114 65 836 33 616 18 053 1 00 3 02 C
ATOM 3099 r THR C 114 65 265 -35 977 20 002 1 00 3 02 C ATOM 3100 O THR C 114 65 794 -35 614 21 055 1 00 3 02
ATOM 3101 N VAL C 115 63 981 -36 333 19 897 1 00 3 02
ATOM 3102 CA VAL C 115 62 992 -36 278 20 978 1 00 3 02
ATOM 3103 CB VAL C 115 61 600 -36 768 20 460 1 00 3 02
ATOM 3104 CGl VAL C 115 60 570 -36 924 2x 591 1 00 3 02 C
ATOM 3105 CG2 VAL 115 61 072 -35 825 19 389 1 00 3 02 C
ATOM 3106 C VAL C 115 63 417 -37 067 22 216 1 00 3 02 C
ATOM 3107 O VAL C 115 63 282 -36 579 23 347 1 00 3 02 O
ATOM 3108 N ALA C 116 63 918 -38 286 21 978 1 00 3 02 N
ATOM 3109 CA ALA C 116 64 369 -39 214 23 027 1 00 3 02 C
ATOM 3110 CB ALA C 116 64 979 -40 458 22 411 1 00 3 02 C
ATOM 3111 C ALA C 116 65 384 -38 542 23 917 1 00 3 02 C
ATOM 3112 O ALA C 116 65 123 -38 304 25 099 1 00 3 02 O
ATOM 3113 N TYR C 117 66 541 38 249 23 326 1 00 3 02 N
ATOM 3114 CA TYR C 117 67 585 -37 453 23 953 1 00 3 02 C
ATOM 3115 CB TYR C 117 68 620 -37 042 22 906 1 00 02 C
ATOM 3116 CG TYR C 117 70 042 -37 015 23 411 1 00 02 C
ATOM 3117 CDl TYR C 117 71 073 -37 541 22 647 1 00 3 02 C
ATOM 3118 CEl TYR C 117 72 380 -37 537 23 098 1 00 3 02 C
ATOM 3119 CZ TYR C 117 72 662 -37 000 24 322 1 00 3 02 C
ATOM 3120 OH TYR C 117 73 962 -36 988 24 762 1 00 3 02 O
ATOM 3121 CE2 TYR C 117 71 653 -36 481 25 113 1 00 3 02 C
ATOM 3122 CD2 TYR C 117 70 355 -36 486 24 653 1 00 3 02 C
ATOM 3123 C TYR C 117 66 986 -36 205 24 596 1 00 3 02 C
ATOM 3124 O TYR C 117 67 190 -35 970 25 787 1 00 3 02 O
ATOM 3125 N LEU C 118 66 230 -35 435 23 804 1 00 3 02 N
ATOM 3126 CA LEQ C 118 65 546 -34 222 24 262 1 00 3 02 C
ATOM 3127 CB LEU C 118 64 488 -33 778 23 244 1 00 3 02 C
ATOM 3128 CG LEU C 118 64 745 -32 711 22 177 1 00 3 02 C
ATOM 3129 CDl LEU C 118 63 649 -32 742 21 110 1 00 3 02 C
ATOM 3130 CD2 LEU C 118 64 875 -31 303 22 789 1 00 3 02 C
ATOM 3131 C LEU C 118 64 866 -34 381 25 620 1 00 3 02 C
ATOM 3132 O LEU C 118 64 938 -33 484 26 467 1 00 3 02 O
ATOM 3133 N GLY C 119 64 193 -35 516 25 808 1 00 3 02 N
ATOM 3134 CA GLY C 119 63 383 -35 747 27 002 1 00 3 02 C
ATOM 3135 C GLY C 119 64 190 -36 069 28 250 1 00 3 02 c
ATOM 3136 O GLY C 119 64 722 -35 156 28 927 1 00 3 02 O
ATOM 3137 N LYS C 120 64 279 -37 356 28 565 1 00 3 02 N
ATOM 3138 CA LYS C 120 65 086 -37 796 29 690 1 00 3 02 C
ATOM 3139 CB LYS C 120 64 973 -39 321 29 889 1 00 3 02 C
ATOM 3140 CG LYS C 120 63 529 39 782 30 186 1 00 3 02 C
ATOM 3141 CD LYS C 120 63 449 -41 106 30 901 1 00 3 02 C
ATOM 3142 CE LYS C 120 62 124 -41 243 31 660 1 00 3 02 C
ATOM 3143 NZ LYS Q 120 62 069 -42 494 32 496 1 00 3 02 N
ATOM 3144 LYS C 120 66 512 -37 339 29 404 1 00 3 02 C
ATOM 3145 O LYS C 120 67 176 -37 868 28 499 1 00 3 02 O
ATOM 3146 N LEU C 121 66 950 -36 326 30 158 1 00 3 02 N
ATOM 3147 CA LEU C 121 68 227 -35 621 29 927 1 00 3 02 C
ATOM 3148 CB LEU C 121 68 725 -34 951 31 216 1 00 3 02 C
ATOM 3149 CG LEU C 121 67 733 -34 058 31 980 1 00 3 02 C
ATOM 3150 CDl LEU C 121 68 414 -33 336 33 136 1 00 3 02 C ATOM 3151 CD2 LEU C 121 66 983 -33 054 31 072 1 00 3 02 C
ATOM 3152 C LEO C 121 69 322 -36 506 29 343 1 00 3 02 C
ATOM 3153 O LEO C 121 70 125 -36 063 28 533 1 00 3 02 O
ATOM 3154 N ARG C 122 69 314 -37 770 29 745 1 00 3 02 N
ATOM 3155 CA ARG C 122 70 324 -38 753 29 351 1 00 3 02 C
ATOM 3156 CB ARG C 122 70 110 -40 077 30 110 1 00 3 02 C
ATOM 3157 CG ARG C 122 70 681 -40 048 31 524 1 00 3 02 C
ATOM 3158 CD ARG C 122 70 382 -41 316 32 304 1 00 3 02
ATOM 3159 NE ARG C 122 71 491 -41 661 33 199 1 00 3 02 N
ATOM 3160 CZ ARG C 122 71 421 -42 535 34 201 1 00 3 02 C
ATOM 3161 NHl ARG C 122 70 276 -43 166 34 460 1 00 3 02 N
ATOM 3162 NH2 ARG C 122 72 503 -42 761 34 945 1 00 3 02 M
ATOM 3163 C ARG C 122 70 518 -38 984 27 835 1 00 3 02 C
ATOM 3164 O ARG 122 69 636 -38 674 27 022 1 00 3 02 O
ATOM 3165 N ALA C 123 71 692 -39 521 27 486 1 00 3 02 N
ATOM 3166 CA ALA C 123 72 103 -39 768 26 106 1 00 3 02 C
ATOM 3167 CB ALA C 123 73 594 -39 489 25 925 1 00 3 02 C
ATOM 3168 C ALA C 123 71 774 41 181 25 627 1 00 3 02 C
ATOM 3169 O ALA C 123 71 287 -41 345 24 507 1 00 3 02 O
ATOM 3170 N PRO C 124 72 016 -42 207 26 476 1 00 -^ 02 N
ATOM 3171 CA PRO C 124 71 824 -43 612 26 063 1 00 3 02 C
ATOM 3172 CB PRO C 124 71 851 -44 384 27 392 1 00 3 02 C
ATOM 3173 CG PRO C 124 71 737 -43 311 28 474 1 00 3 02 C
ATOM 3174 CD PRO C 124 72 434 -42 127 27 886 1 00 3 02 C
ATOM 3175 C PRO C 124 70 501 -43 884 25 353 1 00 3 02 C
ATOM 3176 O PRO C 124 70 413 -44 829 24 571 1 00 3 02 O
ATOM 3177 N ILE C 125 69 483 -43 071 25 625 1 00 3 02 N
ATOM 3178 CA ILE C 125 68 207 43 212 24 928 1 00 3 02 C
ATOM 3179 CB ILE C 125 67 008 -42 498 25 674 1 00 3 02 C
ATOM 3180 CGl ILE C 125 65 664 -42 863 25 021 1 00 3 02 C
ATOM 3181 CDl ILE C 125 64 442 -42 831 25 948 1 00 3 02 C
ATOM 3182 CG2 I C 125 67 193 -40 987 25 751 1 00 3 02 C
ATOM 3183 C ILE C 125 68 336 -42 841 23 432 1 00 3 02 C
ATOM 3184 O ILE C 125 67 495 -43 225 22 616 1 00 3 02 O
ATOM 3185 N ARG C 126 69 402 -42 125 23 075 1 00 3 02 N
ATOM 3186 CA ARG C 126 69 671 -41 787 21 670 1 00 3 02 C
ATOM 3187 CB ARG C 126 70 530 -40 517 21 565 1 00 3 02 C
ATOM 3188 CG ARG C 126 72 055 -40 751 21 573 1 00 3 02 C
ATOM 3189 CD ARG C 126 72 608 -41 192 20 202 1 00 3 02 C
ATOM 3190 NE ARG C 126 73 985 -40 751 20 002 1 00 3 02 N
ATOM 3191 CZ ARG C 126 74 514 -40 421 18 827 1 00 3 02 C
ATOM 3192 NHl ARG 126 73 779 -40 456 17 735 1 00 3 02 N
ATOM 3193 NH2 ARG C 126 75 774 -40 015 18 750 1 00 3 02 N
ATOM 3194 C ARG C 126 70 326 -42 925 20 854 J^ 00 3 02 C
ATOM 3195 O ARG C 126 70 245 -42 927 19 617 1 00 3 02 O
ATOM 3196 N SER C 127 70 986 -43 866 21 538 1 00 3 02 N
ATOM 3197 CA SER C 127 71 730 -44 942 20 879 1 00 3 02 C
ATOM 3198 CB SER C 127 72 291 -45 913 21 919 1 00 3 02 C
ATOM 3199 OG SER C 127 71 277 -46 379 22 788 1 00 3 02 O
ATOM 3200 C SER C 127 70 892 -45 702 19 854 1 00 3 02 C
ATOM 3201 O SER C 127 71 404 -46 173 18 837 1 00 3 02 O ATOM 3202 N VAL C 128 69 593 -45 790 20 125 1 00 3 02 N
ATOM 3203 CA VAL C 128 68 657 -46 574 19 318 _ 00 3 02 C
ATOM 3204 CB VAL C 128 67 330 -46 848 20 115 1 00 3 02 C
ATOM 3205 CGl VAL Q 128 66 144 -47 188 19 194 1 00 3 02 C
ATOM 3206 CG2 VAL C 128 67 565 -47 980 21 127 1 00 3 02 C
ATOM 3207 C VAL C 128 68 441 -46 039 17 883 1 00 3 02 C
ATOM 3208 O VAL C 128 68 991 -46 604 16 927 1 00 3 02 O
ATOM 3209 N THR C 129 67 684 -44 952 17 735 1 00 3 02 N
ATOM 3210 CA THR C 129 67 219 -44 512 16 410 1 00 3 02 C
ATOM 3211 CB THR C 129 65 986 -43 626 16 515 1 00 3 02 C
ATOM 3212 OGl THR C 129 66 336 -42 445 17 223 1 00 3 02 O
ATOM 3213 CG2 THR C 129 G4 870 -44 323 17 262 1 00 3 02 C
ATOM 3214 C THR C 129 68 251 -43 827 15 497 1 00 3 02 C
ATOM 3215 O THR C 129 68 001 -43 645 14 304 1 00 3 02 O
ATOM 3216 N TYR C 130 69 398 -43 450 16 058 1 00 3 02 N
ATOM 3217 CA TYR C 130 70 489 -42 827 15 293 1 00 3 02 C
ATOM 3218 CB TYR C 130 71 518 -42 209 16 237 1 00 3 02 C
ATOM 3219 CG TYR C 130 72 720 -43 086 16 560 1 00 3 02 C
ATOM 3220 CDl TYR C 130 74 001 -42 755 16 095 1 00 3 02 C
ATOM 3221 CEl TYR C 130 75 106 -43 531 16 403 1 00 3 02 C
ATOM 3222 CZ TYR C 130 74 941 -44 662 17 173 1 00 3 02 C
ATOM 3223 OH TYR C 130 76 027 -45 434 17 478 1 00 3 02 O
ATOM 3224 CE2 TYR C 130 73 687 -45 024 17 644 1 00 3 02 C
ATOM 3225 CD2 TYR C 130 72 583 -44 231 17 341 1 00 3 02 C
ATOM 3226 C TYR C 130 71 185 -43 789 14 317 1 00 3 02 C
ATOM 3227 O TYR C 130 71 727 -43 358 13 307 1 00 3 02 O
ATOM 3228 N THR C 131 71 200 -45 082 14 654 1 00 3 02 N
ATOM 3229 CA THR C 131 71 556 -46 158 13 705 1 00 3 02 C
ATOM 3230 CB THR C 131 71 876 -47 510 14 446 1 00 3 02 C
ATOM 3231 OGl THR c 131 72 984 -47 332 15 341 1 00 3 02 O
ATOM 3232 CG2 THR C 131 72 232 -48 617 13 468 1 00 3 02 C
ATOM 3233 C THR 131 70 416 -46 316 12 671 1 00 3 02 C
ATOM 3234 O THR C 131 70 655 -46 465 11 470 1 00 3 02 O
ATOM 3235 N LEQ C 132 69 175 -46 242 13 145 1 00 3 02 N
ATOM 3236 CA LEQ C 132 68 018 -46 158 12 249 1 00 3 02 C
ATOM 3237 CB LEU C 132 66 697 -46 411 13 009 1 00 3 02 C
ATOM 3238 CG LEU C 132 66 529 -47 743 13 766 1 00 3 02 C
ATOM 3239 CDl LEU C 132 65 348 -47 669 14 735 1 00 3 02 C
ATOM 3240 CD2 LEU C 132 66 375 -48 917 12 800 1 00 3 02 C
ATOM 3241 C LEU C 132 67 983 -44 825 11 471 1 00 3 02 C
ATOM 3242 O LEU Cf 132 67 142 -44 643 10 586 1 00 3 02 O
ATOM 3243 N ALA C 133 68 894 -43 907 11 807 1 00 3 02 N
ATOM 3244 CA ALA C 133 69 133 -42 696 11 010 1 00 3 02 C
ATOM 3245 CB ALA C 133 69 276 -41 480 11 914 1 00 3 02 C
ATOM 3246 C ALA C 133 70 372 -42 842 10 118 1 00 3 02 C
ATOM 3247 O ALA C 133 70 361 -42 457 8 945 1 00 3 02 O
ATOM 3248 N GLN C 134 71 431 -43 414 10 689 1 00 3 02 N
ATOM 3249 CA GLN C 134 72 718 -43 568 10 021 1 00 3 02 C
ATOM 3250 CB GLN C 134 73 776 -43 992 11 037 1 00 3 02 C
ATOM 3251 CG GLN C 134 74 179 -42 947 12 051 1 00 3 02 C
ATOM 3252 CD GLN C 134 75 296 -43 424 12 983 1 00 3 02 C ATOM 3253 OEl GLN C 134 75 597 -44 625 13 073 1 00 3 02 O
ATOM 3254 NE2 GLN C 134 75 924 -42 476 13 673 1 00 3 02 N
ATOM 3255 C GLN C 134 72 708 -44 600 8 888 1 00 3 02 C
ATOM 3256 O GLN C 131 73 556 -44 532 7 991 1 00 3 02 O
ATOM 3257 N LEU C 135 71 790 -45 575 8 954 1 00 3 02 N
ATOM 3258 CA LEU C 135 71 693 -46 646 7 929 1 00 3 02 C
ATOM 3259 CB LEU C 135 71 001 -47 914 8 462 1 00 3 02 C
ATOM 3260 CG LEU C 135 71 891 -49 013 9 073 1 00 3 02 C
ATOM 3261 CDl LEU C 135 71 056 -50 on 9 885 1 00 3 02 C
ATOM 3262 CD2 LEU C 135 72 721 -49 736 8 003 1 00 3 02 C
ATOM 3263 C LEU C 135 71 046 -46 177 6 626 1 00 3 02
ATOM 3264 O LEU C 135 71 528 -46 510 5 547 1 00 3 02 O
ATOM 3265 N PRO C 136 69 931 -45 432 6 717 1 00 3 02 N
ATOM 3266 CA PRO C 136 69 540 -44 610 5 573 1 00 3 02
ATOM 3267 CB PRO C 136 68 401 -43 742 6 122 1 00 3 02 C
ATOM 3268 CG PRO C 136 68 138 -44 179 7 498 1 00 3 02 C
ATOM 3269 CD PRO C 136 68 933 -45 389 7 802 1 00 3 02 C
ATOM 3270 C PRO C 136 70 688 43 751 4 967 1 00 02 C
ATOM 3271 O PRO C 136 70 799 -43 685 3 742 1 00 3 02 O
ATOM 3272 N CYS C 137 71 521 -43 107 5 795 1 00 3 02 N
ATOM 3273 CA CYS C 137 72 755 -42 465 5 302 1 00 3 02 C
ATOM 3274 CB CYS C 137 73 677 -42 055 6 450 1 00 3 02 C
ATOM 3275 SG CYS C 137 73 308 -40 497 7 255 1 00 3 02 S
ATOM 3276 C CYS C 137 73 550 -43 397 4 394 1 00 3 02 C
ATOM 3277 O CYS C 137 74 155 -42 937 3 418 1 00 3 02 O
ATOM 3278 N ALA C 138 73 543 -44 693 4 736 1 00 3 02 N
ATOM 3279 CA ALA C 138 74 399 -45 696 4 119 1 00 3 02 C
ATOM 3280 CB ALA C 138 74 618 -46 846 5 065 1 00 3 02 C
ATOM 3281 C ALA 138 73 811 -46 191 2 824 1 00 3 02 C
ATOM 3282 O ALA Q 138 74 558 -46 541 1 907 1 00 3 02 O
ATOM 3283 N SER C 139 72 478 -46 216 2 757 1 00 3 02 N
ATOM 3284 CA SER C 139 71 763 -46 696 1 570 1 00 3 02 C
ATOM 3285 CB SER C 139 70 489 -47 472 1 942 1 00 3 02 C
ATOM 3286 OG SER C 139 69 539 -46 673 2 634 1 00 3 02 O
ATOM 3287 C SER C 139 71 458 -45 573 0 594 1 00 3 02
ATOM 3288 O SER C 139 71 382 -45 817 -0 614 X 00 3 02 O
ATOM 3289 N MET C 140 71 280 -44 358 1 125 1 00 3 02 N
ATOM 3290 CA MET C 140 71 157 -43 131 0 313 1 00 3 02 C
ATOM 3291 CB MET C 140 70 788 -41 910 1 165 1 00 3 02 C
ATOM 3292 CG MET C 140 69 399 -41 894 1 726 1 00 3 02 C
ATOM 3293 SD MET C 140 68 816 -40 251 2 219 1 00 3 02 S
ATOM 3294 CE MET C 140 68 530 -39 431 0 642 1 00 3 02 C
ATOM 3295 C MET C 140 72 463 -42 795 -0 399 1 00 3 02 C
ATOM 3296 O MET C 140 72 441 -42 365 -1 559 1 00 3 02 O
ATOM 3297 N ALA C 141 73 578 -42 980 0 321 1 00 3 02 N
ATOM 3298 CA ALA C 141 74 921 -42 641 -0 141 1 00 3 02 C
ATOM 3299 CB ALA C 141 75 907 -42 701 1 011 1 00 3 02 C
ATOM 3300 C ALA C 141 75 376 -43 545 -1 280 1 00 3 02 C
ATOM 3301 O ALA C 141 76 171 43 137 2 128 1 00 3 02 O
ATOM 3302 N LEU C 142 74 873 -44 776 -1 286 1 00 3 02 N
ATOM 3303 CA LEU C 142 75 111 -45 709 -2 385 1 00 3 02 C ATOM 3304 CB LEU C 142 74 989 -47 167 -1 921 1 00 3 02 C
ATOM 3305 CG LEU C 142 76 223 -47 742 -1 204 1 00 3 02 C
ATOM 3306 CDl LEU C 142 75 825 -48 817 -0 238 I 00 3 02 C
ATOM 3307 CD2 LEU C 142 77 316 48 254 -2 162 1 00 3 02 C
ATOM 3308 C LEU C 142 74 191 -45 434 -3 561 1 00 3 02 C
ATOM 3309 O LEU C 142 74 651 -45 366 -4 704 1 00 3 02 O
ATOM 3310 N GLN C 143 72 896 -45 272 -3 279 1 00 3 02 N
ATOM 3311 CA GLN C 143 71 891 -44 947 -4 314 1 00 3 02 C
ATOM 3312 CB GLN C 143 70 505 -44 767 -3 709 1 00 3 02 C
ATOM 3313 CG GLN C 143 69 639 -45 998 -3 829 1 00 3 02 C
ATOM 3314 CD GLN C 143 68 229 45 758 3 319 1 00 3 02 C
ATOM 3315 OEl GLN C 143 67 906 -44 669 -2 838 1 00 3 02 O
ATOM 3316 NE2 GLN C 143 67 378 -46 783 -3 415 1 00 3 02 N
ATOM 3317 C GLN C 143 72 252 -43 742 -5 178 1 00 3 02 C
ATOM 3318 O GLN C 143 71 890 -43 686 -6 352 1 00 3 02 O
ATOM 3319 N ILE C 144 72 957 -42 783 -4 591 1 00 3 02 N
ATOM 3320 CA ILE C 144 73 639 -41 769 -5 383 1 00 3 02 C
ATOM 3321 CB ILE C 144 74 485 -40 804 -4 509 1 00 3 02 C
ATOM 3322 CGl ILE C 144 73 637 -40 185 -3 403 1 00 3 02 C
ATOM 3323 CDl ILE C 144 74 392 -39 975 -2 146 1 00 3 02 C
ATOM 3324 CG2 ILE C 144 75 115 -39 704 -5 363 1 00 3 02 C
ATOM 3325 C ILE C 144 74 541 -42 449 -6 418 1 00 3 02 C
ATOM 3326 O ILE C 144 74 214 -42 458 -7 604 1 00 3 02 O
ATOM 3327 N LEU C 145 75 641 -43 047 -5 956 1 00 3 02 N
ATOM 3328 CA LEU C 145 76 727 -43 533 -6 831 1 00 3 02 C
ATOM 3329 CB LEU C 145 77 849 -44 193 -6 014 1 00 3 02 C
ATOM 3330 CG LEU C 145 78 171 -43 603 -4 648 1 00 3 02 C
ATOM 3331 CDl LEU C 145 78 893 -44 609 -3 773 1 00 3 02 C
ATOM 3332 CD2 LEU C 145 78 943 -42 306 -4 811 1 00 3 02 C
ATOM 3333 C LEU C 145 76 265 -44 512 -7 898 1 00 3 02 C
ATOM 3334 O LEU C 145 76 728 -44 453 -9 043 1 00 3 02 O
ATOM 3335 N TRP C 146 75 365 -45 414 -7 513 ^ 00 3 02 N
ATOM 3336 CA TRP C 146 74 910 -46 458 -8 405 1 00 3 02 C
ATOM 3337 CB TRP C 146 74 073 -47 486 -7 648 1 00 3 02 C
ATOM 3338 CG TRP C 146 74 867 -48 189 -6 604 1 00 3 02 C
ATOM 3339 CDl TRP C 146 74 755 -48 041 -5 258 1 00 3 02 C
ATOM 3340 NEl TRP C 146 75 673 -48 831 -4 618 1 00 3 02 N
ATOM 3341 CE2 TRP C 146 76 411 49 511 5 553 1 00 3 02 C
ATOM 3342 CD2 TRP C 146 75 928 -49 132 -6 822 1 00 3 02 C
ATOM 3343 CE3 TRP C 146 76 517 -49 693 -7 966 1 00 3 02 C
ATOM 3344 CZ3 TRP C 146 77 557 -50 607 803 1 00 3 02 C
ATOM 3345 CH2 TRP C 146 78 013 -50 967 -6 526 1 00 3 02 C
ATOM 3346 CZ2 TRP C 146 77 454 -50 436 -5 392 1 00 3 02 C
ATOM 3347 C TRP C 146 74 148 -45 858 -9 567 1 00 3 02 C
ATOM 3348 O TRP C 146 74 578 -45 984 -10 723 1 00 3 02 O
ATOM 3349 N GLU C 147 73 029 -45 201 -9 255 1 00 3 02 N
ATOM 3350 CA GLU C 147 72 263 -44 448 -10 248 1 00 3 02 C
ATOM 3351 CB GLU C 147 71 113 -43 693 -9 590 1 00 3 02 C
ATOM 3352 CG GLU C 147 69 753 -43 914 -10 253 1 00 3 02 C
ATOM 3353 CD GLU C 147 68 657 -43 098 -9 596 1 00 3 02 C
ATOM 3354 OEl GLU C 147 67 868 -43 693 -8 820 1 00 3 02 O ATOM 3355 OE2 GLU C 147 68 619 41 862 9 834 1 00 3 02
ATOM 3356 C GLU C 147 73 165 -43 459 -10 976 1 00 3 02
ATOM 3357 O GIU C 147 73 106 -43 375 -12 200 1 00 3 02
ATOM 3358 N ALA C 148 74 007 -42 737 -10 227 1 00 3 02
ATOM 3359 CA ALA Q 148 74 888 -41 709 -10 794 1 00 3 02
ATOM 3360 CB ALA C 148 75 472 -40 849 -9 696 1 00 3 02
ATOM 3361 C ALA C 148 75 985 -42 294 -11 684 1 00 3 02
ATOM 3362 O ALA C 148 76 708 -41 561 -12 362 1 00 3 02 O
ATOM 3363 N ALA C 149 76 098 -43 620 -11 680 1 00 3 02 N
ATOM 3364 CA ALA C 149 76 964 -44 332 -12 618 1 00 3 02 C
ATOM 3365 CB ALA C 149 77 593 -45 555 -11 950 1 00 3 02 C
ATOM 3366 C ALA C 149 76 171 -44 743 -13 862 1 00 3 02 C
ATOM 3367 0 ALA C 149 76 752 -45 029 -14 915 1 00 3 02 O
ATOM 3368 N ARG C 150 74 846 -44 773 -13 732 1 00 3 02 N
ATOM 3369 CA ARG C 150 73 969 -45 122 -14 847 1 00 3 02 C
ATOM 3370 CB ARG C 150 72 768 -45 947 -14 351 1 00 3 02 C
ATOM 3371 CG ARG C 150 72 090 -46 779 -15 433 1 00 02 C
ATOM 3372 CD ARG C 150 70 716 -47 242 -14 993 1 00 3 02 C
ATOM 3373 NE ARG C 150 69 689 -46 965 -16 004 1 00 3 02 N
ATOM 3374 CZ ARG C 150 68 370 -47 078 -15 807 1 00 3 02 C
ATOM 3375 NHl ARG C 150 67 878 -47 490 -14 641 1 00 3 02 N
ATOM 3376 NH2 ARG C 150 67 537 -46 792 -16 790 00 3 02 N
ATOM 3377 C ARG C 150 73 528 -43 881 -15 662 1 00 3 02 C
ATOM 3378 O ARG C 150 72 792 -43 993 -16 659 1 00 3 02 O
ATOM 3379 N HIS C 151 73 974 -42 697 15 252 1 00 3 02 N
ATOM 3380 CA HIS C 151 73 714 -41 485 -16 037 1 00 3 02 C
ATOM 3381 CB HIS C 151 73 211 -40 355 -15 134 1 00 3 02 C
ATOM 3382 CG HIS C 151 72 211 -40 816 -14 127 1 00 3 02 C
ATOM 3383 NDl HIS C 151 71 005 -41 374 -14 484 1 00 3 02 N
ATOM 3384 CEl hIS C 151 70 337 -41 710 -13 395 1 00 3 02 C
ATOM 3385 NE2 HIS C 151 71 076 -41 406 -12 345 1 00 3 02 N
ATOM 3386 CD2 HIS C 151 72 255 -40 848 -12 777 1 00 3 02 C
ATOM 3387 C HIS C 151 74 947 -41 075 -16 844 1 00 3 02 C
ATOM 3388 O HIS C 151 75 063 -39 950 -17 308 1 00 3 02 O
ATOM 3389 N LEU C 152 75 866 42 012 17 006 1 00 3 02 N
ATOM 3390 CA LEU C 152 77 106 -41 775 -17 714 1 00 3 02 C
ATOM 3391 CB LEU C 152 78 259 -41 512 -16 723 1 00 3 02 C
ATOM 3392 CG LEU C 152 78 161 -40 726 -15 394 1 00 3 02 C
ATOM 3393 CDl LEU C 152 79 553 -40 373 -14 898 1 00 3 02 C
ATOM 3394 CD2 LEU C 152 77 328 -39 449 -15 468 1 00 3 02 C
ATOM 3395 C LEU C 152 77 400 -43 025 -18 540 1 00 3 02 C
ATOM 3396 O LEU C 152 78 359 -43 087 -19 308 1 00 3 02 O
ATOM 3397 031 GTT T 153 75 170 -38 077 20 264 1 00 3 02 O
ATOM 3398 C3 GTT T 153 73 996 -37 789 19 935 1 00 3 02 C
ATOM 3399 032 GTT T 153 73 098 -38 198 20 685 1 00 3 02 O
ATOM 3400 CA3 GTT T 153 73 662 -37 007 18 672 1 00 3 02 C
ATOM 3401 N3 GTT T 153 73 649 -37 866 17 494 1 00 3 02 N
ATOM 3402 C2 GTT T 153 73 039 -37 619 16 333 1 00 3 02 C
ATOM 3403 02 GTT T 153 71 871 36 850 16 224 1 00 3 02 O
ATOM 3404 CA2 GTT T 153 73 621 -38 236 15 100 1 00 3 02 C
ATOM 3405 CB2 GTT T 153 72 535 -39 104 14 491 1 00 3 02 C ATOM 3406 SG2 GTT T 153 73 197 -40 717 13 996 1 00 3 02 S
ATOM 3407 N2 GTT T 153 74 776 -39 069 15 388 1 00 3 02 N
ATOM 3408 CDl GTT T 153 75 868 -39 132 14 630 1 00 3 02 C
ATOM 3409 OEl GTT T 153 75 943 -38 670 13 298 1 00 3 02 O
ATOM 3410 CGl GTT T 153 77 055 -39 760 15 311 1 00 3 02 C
ATOiVI 3411 CBl GTT T 153 78 027 -38 669 15 719 1 00 3 02 C
ATOM 3412 CAl GTT T 153 78 556 -38 899 17 131 1 00 3 02 C
ATOM 3413 Nl GTT T 153 79 978 -38 566 17 185 1 00 3 02 N
ATOM 3414 Cl GTT T 153 77 791 -38 074 18 133 1 00 3 02 C
ATOM 3415 Oil GTT T 153 77 035 -37 144 17 762 1 00 3 02 O
ATOM 3416 012 GTT T 153 77 893 -38 318 19 362 1 00 3 02 O
ATOM 3417 031 GTT T 154 88 318 -23 460 15 302 1 00 3 02 O
ATOM 3418 C3 GTT T 154 88 417 -24 556 14 659 1 00 3 02 C
ATOM 3419 032 GTT T 154 88 140 -25 646 15 237 1 00 3 02 O
ATOM 3420 CA3 GTT T 154 88 864 -24 632 13 204 1 00 3 02 C
ATOM 3421 N3 GTT T 154 88 182 -23 765 12 236 1 00 3 02 N
ATOM 3422 C2 GTT T 154 87 853 -24 265 11 040 1 00 3 02 C
ATOM 3423 02 GTT T 154 88 117 25 619 10 723 1 00 3 02 O
ATOM 3424 CA2 GTT T 154 87 158 -23 406 10 011 1 00 3 02 C
ATOM 3425 CB2 GTT T 154 87 882 -23 470 8 676 1 00 3 02 C
ATOM 3426 SG2 GTT T 154 89 641 -23 814 8 919 1 00 3 02 S
ATOM 3427 N2 GTT T 154 87 024 -22 027 10 385 1 00 3 02 N
ATOM 3428 CDl GTT T 154 85 850 -21 426 10 230 1 00 3 02 C
ATOM 3429 OEl GTT T 154 84 701 -22 004 9 639 1 00 3 02 O
ATOM 3430 CGl GTT T 154 85 812 -20 025 10 764 1 00 3 02 C
ATOM 3431 CBl GTT T 154 85 359 -20 041 12 219 1 00 3 02 C
ATOM 3432 CAl GTT T 154 86 539 -20 098 13 198 1 00 3 02 C
ATOM 3433 Nl GTT T 154 86 611 18 796 13 857 1 00 3 02 N
ATOM 3434 Cl GTT T 154 86 427 -21 245 14 204 1 00 3 02 C
ATOM 3435 Oil GmT T 154 86 262 -22 454 13 857 1 00 3 02 O
ATOM 3436 0x2 GTT T 154 86 508 -21 058 15 457 1 00 3 02 O
ATOM 3437 031 GTT T 155 70 213 -18 252 20 585 1 00 3 02 O
ATOM 3438 C3 GTT T 155 70 466 -J.7 145 20 050 1 00 3 02 C
ATOM 3439 032 GTT T 155 70 396 -16 130 20 767 1 00 3 02 O
ATOM 3440 CA3 GTT T 155 70 829 -17 037 18 587 1 00 3 02 C
ATOM 3441 N3 GTT T 155 70 112 -18 065 17 846 1 00 3 02 N
ATOM 3442 C2 GTT T 155 69 782 -17 989 16 557 1 00 3 02 C
ATOM 3443 02 GTT 155 70 339 -17 032 15 687 1 00 3 02 O
ATOM 3444 CA2 GTT T 155 68 786 -19 014 16 073 1 00 3 02 C
ATOM 3445 CB2 GTT T 155 68 139 -18 634 14 745 1 00 3 02 C
ATOM 3446 SG2 GTT T 155 67 378 -16 996 14 819 1 00 3 02 S
ATOM 3447 N2 GTT T 155 67 765 -19 288 17 067 1 00 3 02 N
ATOM 3448 CDl GTT T 155 66 820 -20 238 16 966 1 00 3 02 C
ATOM 3449 OEl GTT T 155 66 681 -21 197 15 928 1 00 3 02 O
ATOM 3450 CGl GTT T 155 65 833 -20 270 18 100 1 00 3 02 C
ATOM 3451 CBl GTT T 155 66 243 -21 414 19 022 1 00 3 02 C
ATOM 3452 CAl GTT T 155 66 662 -20 884 20 390 1 00 3 02 C
ATOM 3453 Nl GTT T 155 66 240 -21 826 21 404 1 00 3 02 N
ATOM 3454 Cl GTT T 155 68 153 20 660 20 507 1 00 3 02 C
ATOM 3455 Oil GTT T 155 68 869 -20 425 19 504 1 00 3 02 O
ATOM 3456 012 GTT T 155 68 717 -20 676 21 634 1 00 3 02 O

Claims

WHAT IS CLAIMED IS:
1 . A method for building an atomic model of a protein molecule comprising: (a) identifying a protein molecule with at least 20% sequence identity with Microsomal Prostaglandin E Synthase 1 (MPGES1 ) and (b) utilizing the atomic coordinates of MPGES1 to obtain an atomic model of the identified protein molecule.
2. The method of claim 1 , wherein the protein molecule is a Membrane Associated Protein in Eicosanoid and Glutathione Metabolism (MAPEG) protein molecule.
3. The method of claim 1 , wherein the atomic model comprises a homology model.
4. The method of claim 3, wherein the homology model is obtained by a modelling software program.
5. The method of claim 1 , wherein the atomic model comprises an experimental model.
6. The method of claim 5, wherein the experimental model is obtained with molecular replacement.
7. The method of claim 1 , further comprising (c) identifying a drug candidate compound that interacts with the identified protein molecule, wherein the atomic structure of the identified protein molecule is used to identify a drug candidate compound.
8. The method of claim 7, further comprising (d) analyzing the interaction of the drug candidate compound with the identified protein molecule.
9. The method of claim 8, wherein the interaction of the drug candidate compound with the active site of the identified protein molecule is analyzed with a docking-program.
10. The method of claim 8, wherein the structure of the interaction of the drug candidate compound with the identified protein molecule is obtained using molecular replacement.
1 1 . The method of claim 1 , further comprising (c) identifying a drug candidate compound that interacts with the identified protein molecule by (1 ) contacting the drug candidate compound with the identified protein molecule and (2) measuring for a change in the expression or activity of the identified protein molecule.
12. The method of claim 1 1 , wherein a drug candidate compound that decreases the expression or activity of the identified protein molecule indicates that the drug candidate compound is an inhibitor of the identified protein molecule.
13. The method of claim 1 1 , wherein a drug candidate compound that increases the expression or activity of the identified protein molecule indicates that the drug candidate compound is a promoter of the identified protein molecule.
14. The method of claim 6, wherein at least one catalytic position of the identified protein molecule is mutated prior to identifying a drug candidate compound that interacts with the identified protein molecule.
15. The method of claim 14, wherein the mutation comprises a substitution of at least one amino acid.
16. The method of claim 14, wherein the mutation comprises a deletion of at least one amino acid.
17. A method for determining a drug candidate compound that interacts with Microsomal Prostaglandin E Synthase 1 (MPGES1 ) comprising: (a) identifying a drug candidate compound that interacts with MPGES1 and (b) analyzing the interaction of the drug candidate compound with MPGES1 .
18. The method of claim 17, wherein the interaction of the drug candidate compound with the active site of the MPGES1 is analyzed with a docking- program.
19. The method of claim 17, wherein the structure of the interaction of the drug candidate compound with MPGES1 is obtained using molecular replacement.
20. The method of claim 17, wherein the drug candidate compound is identified by using the atomic structure of MPGES1 to design a drug candidate compound.
21 . The method of claim 17, wherein the drug candidate compound is identified by (a) contacting the drug candidate compound with MPGES1 ; and (b) measuring for a change in the expression or activity of the protein molecule.
22. The method of claim 21 , wherein a drug candidate compound that decreases the expression or activity of MPGES1 indicates that the drug candidate compound is an inhibitor of MPGES1 .
23. The method of claim 21 , wherein a drug candidate compound that increases the expression or activity of MPGES1 indicates that the drug candidate compound is a promoter of MPGES1 .
24. The method of claim 17, wherein at least one catalytic position of MPGES1 is mutated prior to identifying a drug candidate compound that interacts with MPGES1 .
25. The method of claim 24, wherein the mutation comprises a substitution of at least one amino acid.
26. The method of claim 24, wherein the mutation comprise a deletion of at least one amino acid.
PCT/EP2009/050787 2008-01-24 2009-01-23 Protein structure and method of using protein structure WO2009092800A1 (en)

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