From e34df6852b2daa74f7c25ba160f78438e8b4c022 Mon Sep 17 00:00:00 2001 From: Sam Ireland Date: Thu, 21 Jun 2018 21:43:03 +0100 Subject: [PATCH] Add necessary .pdb files for tests --- .gitignore | 1 - tests/integration/files/1xda.pdb | 2816 +++++++++++++++++++++++ tests/integration/files/1xda_output.pdb | 2125 +++++++++++++++++ 3 files changed, 4941 insertions(+), 1 deletion(-) create mode 100644 tests/integration/files/1xda.pdb create mode 100644 tests/integration/files/1xda_output.pdb diff --git a/.gitignore b/.gitignore index 20af1438..e373feb7 100644 --- a/.gitignore +++ b/.gitignore @@ -11,4 +11,3 @@ dist *.html notes profiles -*.pdb diff --git a/tests/integration/files/1xda.pdb b/tests/integration/files/1xda.pdb new file mode 100644 index 00000000..b2c2dd94 --- /dev/null +++ b/tests/integration/files/1xda.pdb @@ -0,0 +1,2816 @@ +HEADER HORMONE 18-DEC-96 1XDA +TITLE STRUCTURE OF INSULIN +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: FATTY ACID ACYLATED INSULIN; +COMPND 3 CHAIN: A, C, E, G; +COMPND 4 SYNONYM: NN304 INSULIN; +COMPND 5 ENGINEERED: YES; +COMPND 6 MOL_ID: 2; +COMPND 7 MOLECULE: FATTY ACID ACYLATED INSULIN; +COMPND 8 CHAIN: B, D, F, H; +COMPND 9 SYNONYM: NN304 INSULIN; +COMPND 10 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; +SOURCE 6 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4932; +SOURCE 8 MOL_ID: 2; +SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 10 ORGANISM_COMMON: HUMAN; +SOURCE 11 ORGANISM_TAXID: 9606; +SOURCE 12 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; +SOURCE 13 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST; +SOURCE 14 EXPRESSION_SYSTEM_TAXID: 4932 +KEYWDS HORMONE, METABOLIC ROLE, CHEMICAL ACTIVITY, INSULIN ALBUMIN, +KEYWDS 2 FATTY ACID, GLUCOSE METABOLISM, DIABETES +EXPDTA X-RAY DIFFRACTION +AUTHOR J.L.WHITTINGHAM,S.HAVELUND,I.JONASSEN +REVDAT 2 24-FEB-09 1XDA 1 VERSN +REVDAT 1 07-JUL-97 1XDA 0 +JRNL AUTH J.L.WHITTINGHAM,S.HAVELUND,I.JONASSEN +JRNL TITL CRYSTAL STRUCTURE OF A PROLONGED-ACTING INSULIN +JRNL TITL 2 WITH ALBUMIN-BINDING PROPERTIES. +JRNL REF BIOCHEMISTRY V. 36 2826 1997 +JRNL REFN ISSN 0006-2960 +JRNL PMID 9062110 +JRNL DOI 10.1021/BI9625105 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH J.MARKUSSEN,S.HAVELUND,P.KURTZHALS,A.S.ANDERSEN, +REMARK 1 AUTH 2 J.HALSTROM,E.HASSELAGER,U.D.LARSEN,U.RIBEL, +REMARK 1 AUTH 3 L.SCHAFFER,K.VAD,I.JONASSEN +REMARK 1 TITL SOLUBLE, FATTY ACID ACYLATED INSULINS BIND TO +REMARK 1 TITL 2 ALBUMIN AND SHOW PROTRACTED ACTION IN PIGS +REMARK 1 REF DIABETOLOGIA V. 39 281 1996 +REMARK 1 REFN ISSN 0012-186X +REMARK 1 REFERENCE 2 +REMARK 1 AUTH G.D.SMITH,G.G.DODSON +REMARK 1 TITL THE STRUCTURE OF A RHOMBOHEDRAL R6 INSULIN HEXAMER +REMARK 1 TITL 2 THAT BINDS PHENOL +REMARK 1 REF BIOPOLYMERS V. 32 441 1992 +REMARK 1 REFN ISSN 0006-3525 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC +REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.0 +REMARK 3 NUMBER OF REFLECTIONS : 16624 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING + TEST SET) : NULL +REMARK 3 R VALUE (WORKING SET) : 0.174 +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1592 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 96 +REMARK 3 SOLVENT ATOMS : 154 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 17.30 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.40 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): NULL +REMARK 3 ESU BASED ON FREE R VALUE (A): NULL +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.010 ; 0.020 +REMARK 3 ANGLE DISTANCE (A) : 0.030 ; 0.040 +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.030 ; 0.050 +REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +REMARK 3 +REMARK 3 PLANE RESTRAINT (A) : 0.020 ; 0.030 +REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.080 ; 0.100 +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : 0.180 ; 0.300 +REMARK 3 MULTIPLE TORSION (A) : 0.280 ; 0.300 +REMARK 3 H-BOND (X...Y) (A) : 0.270 ; 0.300 +REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL +REMARK 3 +REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL +REMARK 3 PLANAR (DEGREES) : 4.500 ; 7.000 +REMARK 3 STAGGERED (DEGREES) : 15.700; 15.000 +REMARK 3 TRANSVERSE (DEGREES) : 24.700; 20.000 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 1.630 ; 2.000 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.270 ; 3.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 1.990 ; 2.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.030 ; 3.000 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1XDA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : JUN-96 +REMARK 200 TEMPERATURE (KELVIN) : 120 +REMARK 200 PH : 8.2 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG +REMARK 200 BEAMLINE : X31 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.93 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16624 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 15.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 98.0 +REMARK 200 DATA REDUNDANCY : 2.400 +REMARK 200 R MERGE (I) : 0.05500 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.83 +REMARK 200 COMPLETENESS FOR SHELL (%) : 73.0 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.27800 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: 4-IODOPHENOL INSULIN DIMER +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 40.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: HANGING DROP, 0.1M TRI-SODIUM +REMARK 280 CITRATE, 6% (W/V) TRIS, 0.02% (W/V) ZINC ACETATE, PH 8.2. +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z +REMARK 290 3555 -X+Y,-X,Z +REMARK 290 4555 X+2/3,Y+1/3,Z+1/3 +REMARK 290 5555 -Y+2/3,X-Y+1/3,Z+1/3 +REMARK 290 6555 -X+Y+2/3,-X+1/3,Z+1/3 +REMARK 290 7555 X+1/3,Y+2/3,Z+2/3 +REMARK 290 8555 -Y+1/3,X-Y+2/3,Z+2/3 +REMARK 290 9555 -X+Y+1/3,-X+2/3,Z+2/3 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 39.37600 +REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.73374 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 26.39967 +REMARK 290 SMTRY1 5 -0.500000 -0.866025 0.000000 39.37600 +REMARK 290 SMTRY2 5 0.866025 -0.500000 0.000000 22.73374 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 26.39967 +REMARK 290 SMTRY1 6 -0.500000 0.866025 0.000000 39.37600 +REMARK 290 SMTRY2 6 -0.866025 -0.500000 0.000000 22.73374 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 26.39967 +REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 45.46749 +REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 52.79933 +REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 45.46749 +REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 52.79933 +REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 45.46749 +REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 52.79933 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1720 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 3980 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -7.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1870 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4400 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -2.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 3 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1160 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4110 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -11.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 4 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1650 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4240 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -7.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 5 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 21680 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 12240 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -332.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 6 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 23900 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 12440 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -287.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 7 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 7540 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 9770 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -137.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 8 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 5500 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10530 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -156.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 9 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 7450 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10440 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -149.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 10 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 8150 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10880 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -129.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 11 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 4530 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 6630 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 12 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 5190 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 6770 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -14.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 375 +REMARK 375 SPECIAL POSITION +REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS +REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL +REMARK 375 POSITIONS. +REMARK 375 +REMARK 375 ATOM RES CSSEQI +REMARK 375 ZN ZN B 30 LIES ON A SPECIAL POSITION. +REMARK 375 CL CL B 31 LIES ON A SPECIAL POSITION. +REMARK 375 ZN ZN D 30 LIES ON A SPECIAL POSITION. +REMARK 375 CL CL D 31 LIES ON A SPECIAL POSITION. +REMARK 375 ZN ZN F 30 LIES ON A SPECIAL POSITION. +REMARK 375 CL CL F 31 LIES ON A SPECIAL POSITION. +REMARK 375 ZN ZN H 30 LIES ON A SPECIAL POSITION. +REMARK 375 CL CL H 31 LIES ON A SPECIAL POSITION. +REMARK 375 HOH B 57 LIES ON A SPECIAL POSITION. +REMARK 375 HOH D 53 LIES ON A SPECIAL POSITION. +REMARK 375 HOH F 51 LIES ON A SPECIAL POSITION. +REMARK 375 HOH H 47 LIES ON A SPECIAL POSITION. +REMARK 480 +REMARK 480 ZERO OCCUPANCY ATOM +REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO +REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS +REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 480 M RES C SSEQI ATOMS +REMARK 480 GLN A 5 CG CD OE1 NE2 +REMARK 480 TYR A 14 CG CD1 CD2 CE1 CE2 CZ OH +REMARK 480 LYS B 29 N CA C O CB CG CD +REMARK 480 LYS B 29 CE NZ +REMARK 480 GLU C 4 CG CD OE1 OE2 +REMARK 480 GLU D 21 CB CG CD OE1 OE2 +REMARK 480 LYS D 29 CB CG CD CE NZ +REMARK 480 TYR E 14 CG CD1 CD2 CE1 CE2 CZ OH +REMARK 480 LYS F 29 O CB CG CD CE NZ +REMARK 480 GLU G 4 CG CD OE1 OE2 +REMARK 480 GLU H 21 CG CD OE1 OE2 +REMARK 480 LYS H 29 C O CB CG CD CE NZ +REMARK 480 LYS H 29 OXT +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 NE2 GLN C 5 OH TYR C 19 1.61 +REMARK 500 OE1 GLN A 5 O HOH A 94 1.86 +REMARK 500 OE2 GLU A 17 O HOH A 122 1.95 +REMARK 500 O HOH C 113 O HOH D 44 2.10 +REMARK 500 OH TYR H 26 O HOH H 59 2.12 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 CD2 LEU D 17 O HOH B 61 2555 1.52 +REMARK 500 CD1 LEU D 17 O HOH B 62 2555 1.79 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 LEU A 16 CA - CB - CG ANGL. DEV. = 15.9 DEGREES +REMARK 500 ARG B 22 CD - NE - CZ ANGL. DEV. = -9.1 DEGREES +REMARK 500 ARG B 22 NE - CZ - NH1 ANGL. DEV. = -6.0 DEGREES +REMARK 500 TYR B 26 CB - CG - CD1 ANGL. DEV. = -3.8 DEGREES +REMARK 500 ARG D 22 NE - CZ - NH1 ANGL. DEV. = -3.9 DEGREES +REMARK 500 ARG F 22 NE - CZ - NH1 ANGL. DEV. = -5.0 DEGREES +REMARK 500 TYR F 26 CB - CG - CD1 ANGL. DEV. = -4.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 PRO B 28 -74.87 -63.19 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 525 +REMARK 525 SOLVENT +REMARK 525 +REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT +REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST +REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT +REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +REMARK 525 NUMBER; I=INSERTION CODE): +REMARK 525 +REMARK 525 M RES CSSEQI +REMARK 525 HOH E 26 DISTANCE = 6.04 ANGSTROMS +REMARK 525 HOH A 71 DISTANCE = 8.11 ANGSTROMS +REMARK 525 HOH E 31 DISTANCE = 5.41 ANGSTROMS +REMARK 525 HOH H 48 DISTANCE = 6.08 ANGSTROMS +REMARK 525 HOH A 121 DISTANCE = 6.92 ANGSTROMS +REMARK 525 HOH H 50 DISTANCE = 5.97 ANGSTROMS +REMARK 525 HOH D 51 DISTANCE = 6.92 ANGSTROMS +REMARK 525 HOH A 134 DISTANCE = 5.06 ANGSTROMS +REMARK 525 HOH B 51 DISTANCE = 6.04 ANGSTROMS +REMARK 525 HOH C 143 DISTANCE = 6.42 ANGSTROMS +REMARK 525 HOH B 53 DISTANCE = 5.89 ANGSTROMS +REMARK 525 HOH D 54 DISTANCE = 5.28 ANGSTROMS +REMARK 525 HOH E 37 DISTANCE = 7.87 ANGSTROMS +REMARK 525 HOH G 49 DISTANCE = 6.69 ANGSTROMS +REMARK 600 +REMARK 600 HETEROGEN +REMARK 600 AT THE END OF CHAINS B, D, F, AND H, ATOM C1 OF A FATTY +REMARK 600 ACID (RESIDUE 30) IS COVALENTLY LINKED TO THE NZ ATOM OF A +REMARK 600 LYS SIDE CHAIN (RESIDUE 29). +REMARK 615 +REMARK 615 ZERO OCCUPANCY ATOM +REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO +REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS +REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 615 M RES C SSEQI +REMARK 615 MYR B 39 +REMARK 615 MYR F 39 +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 30 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 10 NE2 +REMARK 620 2 CL B 31 CL 113.8 +REMARK 620 3 HIS B 10 NE2 104.8 113.8 +REMARK 620 4 CL B 31 CL 113.8 0.0 113.8 +REMARK 620 5 CL B 31 CL 113.8 0.0 113.8 0.0 +REMARK 620 6 HIS B 10 NE2 104.8 113.8 104.8 113.8 113.8 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN D 30 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS D 10 NE2 +REMARK 620 2 CL D 31 CL 113.0 +REMARK 620 3 HIS D 10 NE2 105.8 113.0 +REMARK 620 4 CL D 31 CL 113.0 0.0 113.0 +REMARK 620 5 CL D 31 CL 113.0 0.0 113.0 0.0 +REMARK 620 6 HIS D 10 NE2 105.8 113.0 105.8 113.0 113.0 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN F 30 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS F 10 NE2 +REMARK 620 2 CL F 31 CL 110.9 +REMARK 620 3 CL F 31 CL 110.9 0.0 +REMARK 620 4 CL F 31 CL 110.9 0.0 0.0 +REMARK 620 5 HIS F 10 NE2 108.0 110.9 110.9 110.9 +REMARK 620 6 HIS F 10 NE2 108.0 110.9 110.9 110.9 108.0 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN H 30 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS H 10 NE2 +REMARK 620 2 CL H 31 CL 113.0 +REMARK 620 3 CL H 31 CL 113.0 0.0 +REMARK 620 4 CL H 31 CL 113.0 0.0 0.0 +REMARK 620 5 HIS H 10 NE2 105.7 113.0 113.0 113.0 +REMARK 620 6 HIS H 10 NE2 105.7 113.0 113.0 113.0 105.7 +REMARK 620 N 1 2 3 4 5 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 30 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 31 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN D 30 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL D 31 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN F 30 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL F 31 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN H 30 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL H 31 +REMARK 800 SITE_IDENTIFIER: AC9 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH A 22 +REMARK 800 SITE_IDENTIFIER: BC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MYR B 39 +REMARK 800 SITE_IDENTIFIER: BC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH C 22 +REMARK 800 SITE_IDENTIFIER: BC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MYR D 39 +REMARK 800 SITE_IDENTIFIER: BC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH E 22 +REMARK 800 SITE_IDENTIFIER: BC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MYR F 39 +REMARK 800 SITE_IDENTIFIER: BC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH G 22 +REMARK 800 SITE_IDENTIFIER: BC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MYR H 39 +DBREF 1XDA A 1 21 UNP P01308 INS_HUMAN 90 110 +DBREF 1XDA B 1 29 UNP P01308 INS_HUMAN 25 53 +DBREF 1XDA C 1 21 UNP P01308 INS_HUMAN 90 110 +DBREF 1XDA D 1 29 UNP P01308 INS_HUMAN 25 53 +DBREF 1XDA E 1 21 UNP P01308 INS_HUMAN 90 110 +DBREF 1XDA F 1 29 UNP P01308 INS_HUMAN 25 53 +DBREF 1XDA G 1 21 UNP P01308 INS_HUMAN 90 110 +DBREF 1XDA H 1 29 UNP P01308 INS_HUMAN 25 53 +SEQRES 1 A 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 A 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 B 29 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 B 29 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 B 29 THR PRO LYS +SEQRES 1 C 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 C 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 D 29 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 D 29 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 D 29 THR PRO LYS +SEQRES 1 E 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 E 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 F 29 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 F 29 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 F 29 THR PRO LYS +SEQRES 1 G 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 G 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 H 29 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 H 29 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 H 29 THR PRO LYS +HET ZN B 30 1 +HET CL B 31 1 +HET ZN D 30 1 +HET CL D 31 1 +HET ZN F 30 1 +HET CL F 31 1 +HET ZN H 30 1 +HET CL H 31 1 +HET IPH A 22 7 +HET MYR B 39 15 +HET IPH C 22 7 +HET MYR D 39 15 +HET IPH E 22 7 +HET MYR F 39 15 +HET IPH G 22 7 +HET MYR H 39 15 +HETNAM ZN ZINC ION +HETNAM CL CHLORIDE ION +HETNAM IPH PHENOL +HETNAM MYR MYRISTIC ACID +FORMUL 9 ZN 4(ZN 2+) +FORMUL 10 CL 4(CL 1-) +FORMUL 17 IPH 4(C6 H6 O) +FORMUL 18 MYR 4(C14 H28 O2) +FORMUL 25 HOH *154(H2 O) +HELIX 1 1 ILE A 2 CYS A 6 1 5 +HELIX 2 2 LEU A 13 TYR A 19 1 7 +HELIX 3 3 VAL B 2 ARG B 22 1 21 +HELIX 4 4 ILE C 2 CYS C 6 1 5 +HELIX 5 5 LEU C 13 TYR C 19 1 7 +HELIX 6 6 VAL D 2 ARG D 22 1 21 +HELIX 7 7 ILE E 2 CYS E 6 1 5 +HELIX 8 8 LEU E 13 TYR E 19 1 7 +HELIX 9 9 VAL F 2 ARG F 22 1 21 +HELIX 10 10 ILE G 2 THR G 8 1 7 +HELIX 11 11 LEU G 13 TYR G 19 1 7 +HELIX 12 12 VAL H 2 ARG H 22 1 21 +SHEET 1 A 2 PHE B 24 TYR B 26 0 +SHEET 2 A 2 PHE D 24 TYR D 26 -1 N TYR D 26 O PHE B 24 +SHEET 1 B 2 PHE F 24 TYR F 26 0 +SHEET 2 B 2 PHE H 24 TYR H 26 -1 N TYR H 26 O PHE F 24 +SSBOND 1 CYS A 6 CYS A 11 1555 1555 2.02 +SSBOND 2 CYS A 7 CYS B 7 1555 1555 2.00 +SSBOND 3 CYS A 20 CYS B 19 1555 1555 2.04 +SSBOND 4 CYS C 6 CYS C 11 1555 1555 1.98 +SSBOND 5 CYS C 7 CYS D 7 1555 1555 2.02 +SSBOND 6 CYS C 20 CYS D 19 1555 1555 2.02 +SSBOND 7 CYS E 6 CYS E 11 1555 1555 2.00 +SSBOND 8 CYS E 7 CYS F 7 1555 1555 2.03 +SSBOND 9 CYS E 20 CYS F 19 1555 1555 2.02 +SSBOND 10 CYS G 6 CYS G 11 1555 1555 1.98 +SSBOND 11 CYS G 7 CYS H 7 1555 1555 2.02 +SSBOND 12 CYS G 20 CYS H 19 1555 1555 2.03 +LINK C1 MYR B 39 NZ LYS B 29 1555 1555 1.25 +LINK C1 MYR D 39 NZ LYS D 29 1555 1555 1.28 +LINK C1 MYR F 39 NZ LYS F 29 1555 1555 1.31 +LINK C1 MYR H 39 NZ LYS H 29 1555 1555 1.32 +LINK ZN ZN B 30 NE2 HIS B 10 1555 1555 2.02 +LINK ZN ZN B 30 CL CL B 31 1555 1555 2.17 +LINK ZN ZN D 30 NE2 HIS D 10 1555 1555 1.94 +LINK ZN ZN D 30 CL CL D 31 1555 1555 2.17 +LINK ZN ZN F 30 NE2 HIS F 10 1555 1555 1.98 +LINK ZN ZN F 30 CL CL F 31 1555 1555 2.14 +LINK ZN ZN H 30 NE2 HIS H 10 1555 1555 1.99 +LINK ZN ZN H 30 CL CL H 31 1555 1555 2.17 +LINK C13 MYR F 39 ND2 ASN D 3 1555 1555 1.55 +LINK ZN ZN B 30 NE2 HIS B 10 1555 3555 2.02 +LINK ZN ZN B 30 CL CL B 31 1555 2555 2.17 +LINK ZN ZN B 30 CL CL B 31 1555 3555 2.17 +LINK ZN ZN B 30 NE2 HIS B 10 1555 2555 2.02 +LINK ZN ZN D 30 NE2 HIS D 10 1555 3555 1.94 +LINK ZN ZN D 30 CL CL D 31 1555 2555 2.17 +LINK ZN ZN D 30 CL CL D 31 1555 3555 2.17 +LINK ZN ZN D 30 NE2 HIS D 10 1555 2555 1.94 +LINK ZN ZN F 30 CL CL F 31 1555 3555 2.14 +LINK ZN ZN F 30 CL CL F 31 1555 2555 2.14 +LINK ZN ZN F 30 NE2 HIS F 10 1555 3555 1.98 +LINK ZN ZN F 30 NE2 HIS F 10 1555 2555 1.98 +LINK ZN ZN H 30 CL CL H 31 1555 3555 2.17 +LINK ZN ZN H 30 CL CL H 31 1555 2555 2.17 +LINK ZN ZN H 30 NE2 HIS H 10 1555 3555 1.99 +LINK ZN ZN H 30 NE2 HIS H 10 1555 2555 1.99 +SITE 1 AC1 2 HIS B 10 CL B 31 +SITE 1 AC2 2 HIS B 10 ZN B 30 +SITE 1 AC3 2 HIS D 10 CL D 31 +SITE 1 AC4 2 HIS D 10 ZN D 30 +SITE 1 AC5 2 HIS F 10 CL F 31 +SITE 1 AC6 2 HIS F 10 ZN F 30 +SITE 1 AC7 2 HIS H 10 CL H 31 +SITE 1 AC8 2 HIS H 10 ZN H 30 +SITE 1 AC9 6 CYS A 6 SER A 9 ILE A 10 CYS A 11 +SITE 2 AC9 6 HIS B 5 LEU B 11 +SITE 1 BC1 3 CYS A 7 ASN B 3 GLN B 4 +SITE 1 BC2 6 CYS C 6 SER C 9 ILE C 10 CYS C 11 +SITE 2 BC2 6 HIS D 5 LEU D 11 +SITE 1 BC3 4 GLN D 4 HOH D 56 CYS E 7 ASN F 3 +SITE 1 BC4 6 CYS E 6 SER E 9 ILE E 10 CYS E 11 +SITE 2 BC4 6 HIS F 5 LEU F 11 +SITE 1 BC5 3 PHE D 1 ASN D 3 PHE F 1 +SITE 1 BC6 6 CYS G 6 SER G 9 ILE G 10 CYS G 11 +SITE 2 BC6 6 HIS H 5 LEU H 11 +SITE 1 BC7 5 PHE B 1 CYS G 7 PHE H 1 ASN H 3 +SITE 2 BC7 5 GLN H 4 +CRYST1 78.752 78.752 79.199 90.00 90.00 120.00 H 3 36 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.012698 0.007331 0.000000 0.00000 +SCALE2 0.000000 0.014662 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.012626 0.00000 +ATOM 1 N GLY A 1 16.136 11.725 12.834 1.00 17.65 N +ATOM 2 CA GLY A 1 15.678 11.530 14.248 1.00 17.04 C +ATOM 3 C GLY A 1 15.003 10.161 14.405 1.00 15.71 C +ATOM 4 O GLY A 1 15.117 9.292 13.515 1.00 13.87 O +ATOM 5 N ILE A 2 14.584 9.867 15.647 1.00 12.10 N +ATOM 6 CA ILE A 2 14.151 8.496 15.928 1.00 11.63 C +ATOM 7 C ILE A 2 12.987 8.047 15.058 1.00 12.04 C +ATOM 8 O ILE A 2 12.898 6.812 14.823 1.00 14.49 O +ATOM 9 CB ILE A 2 13.755 8.394 17.452 1.00 11.35 C +ATOM 10 CG1 ILE A 2 13.524 6.929 17.856 1.00 11.80 C +ATOM 11 CG2 ILE A 2 12.560 9.298 17.662 1.00 12.00 C +ATOM 12 CD1 ILE A 2 13.207 6.828 19.365 1.00 14.08 C +ATOM 13 N VAL A 3 12.115 8.972 14.616 1.00 12.36 N +ATOM 14 CA VAL A 3 10.970 8.445 13.804 1.00 13.86 C +ATOM 15 C VAL A 3 11.466 7.958 12.434 1.00 13.85 C +ATOM 16 O VAL A 3 11.128 6.838 11.999 1.00 14.81 O +ATOM 17 CB VAL A 3 9.852 9.481 13.600 1.00 15.40 C +ATOM 18 CG1 VAL A 3 8.778 8.973 12.627 1.00 17.07 C +ATOM 19 CG2 VAL A 3 9.231 9.811 14.970 1.00 17.19 C +ATOM 20 N GLU A 4 12.387 8.729 11.847 1.00 16.88 N +ATOM 21 CA GLU A 4 12.904 8.278 10.537 1.00 18.55 C +ATOM 22 C GLU A 4 13.709 6.990 10.699 1.00 17.52 C +ATOM 23 O GLU A 4 13.616 6.077 9.873 1.00 20.96 O +ATOM 24 CB GLU A 4 13.754 9.383 9.902 1.00 22.78 C +ATOM 25 CG GLU A 4 14.209 10.424 10.926 1.00 28.33 C +ATOM 26 CD GLU A 4 13.186 11.500 11.198 1.00 28.65 C +ATOM 27 OE1 GLU A 4 12.781 12.147 10.188 1.00 31.42 O +ATOM 28 OE2 GLU A 4 12.790 11.703 12.370 1.00 29.63 O +ATOM 29 N GLN A 5 14.498 6.869 11.770 1.00 14.63 N +ATOM 30 CA GLN A 5 15.335 5.681 11.874 1.00 12.63 C +ATOM 31 C GLN A 5 14.541 4.448 12.359 1.00 12.41 C +ATOM 32 O GLN A 5 14.822 3.313 11.997 1.00 12.36 O +ATOM 33 CB GLN A 5 16.460 6.002 12.849 1.00 14.70 C +ATOM 34 CG GLN A 5 16.771 4.851 13.792 0.00 20.00 C +ATOM 35 CD GLN A 5 18.103 4.263 13.420 0.00 20.00 C +ATOM 36 OE1 GLN A 5 19.077 4.309 14.151 0.00 20.00 O +ATOM 37 NE2 GLN A 5 18.114 3.675 12.207 0.00 20.00 N +ATOM 38 N CYS A 6 13.586 4.581 13.276 1.00 10.69 N +ATOM 39 CA CYS A 6 13.000 3.437 13.972 1.00 9.47 C +ATOM 40 C CYS A 6 11.541 3.200 13.596 1.00 9.64 C +ATOM 41 O CYS A 6 10.957 2.209 14.083 1.00 11.05 O +ATOM 42 CB CYS A 6 13.142 3.658 15.512 1.00 9.19 C +ATOM 43 SG CYS A 6 14.911 3.743 15.963 1.00 14.06 S +ATOM 44 N CYS A 7 10.938 4.036 12.739 1.00 8.37 N +ATOM 45 CA CYS A 7 9.574 3.667 12.283 1.00 10.19 C +ATOM 46 C CYS A 7 9.657 3.110 10.844 1.00 12.79 C +ATOM 47 O CYS A 7 8.666 2.528 10.396 1.00 13.44 O +ATOM 48 CB CYS A 7 8.559 4.784 12.348 1.00 10.30 C +ATOM 49 SG CYS A 7 8.195 5.295 14.066 1.00 12.52 S +ATOM 50 N THR A 8 10.842 3.331 10.227 1.00 13.17 N +ATOM 51 CA THR A 8 10.901 2.797 8.834 1.00 15.60 C +ATOM 52 C THR A 8 11.576 1.445 8.838 1.00 15.93 C +ATOM 53 O THR A 8 11.535 0.639 7.907 1.00 18.87 O +ATOM 54 CB THR A 8 11.709 3.744 7.929 1.00 15.06 C +ATOM 55 OG1 THR A 8 13.005 3.884 8.517 1.00 15.52 O +ATOM 56 CG2 THR A 8 11.049 5.115 7.838 1.00 15.53 C +ATOM 57 N SER A 9 12.272 1.116 9.923 1.00 14.92 N +ATOM 58 CA SER A 9 13.004 -0.113 10.144 1.00 15.64 C +ATOM 59 C SER A 9 12.938 -0.526 11.614 1.00 14.28 C +ATOM 60 O SER A 9 12.867 0.438 12.394 1.00 14.26 O +ATOM 61 CB SER A 9 14.495 0.169 9.792 1.00 19.85 C +ATOM 62 OG SER A 9 15.044 -1.029 9.296 1.00 24.71 O +ATOM 63 N ILE A 10 12.962 -1.783 12.004 1.00 13.14 N +ATOM 64 CA ILE A 10 12.929 -2.070 13.460 1.00 13.66 C +ATOM 65 C ILE A 10 14.282 -1.768 14.108 1.00 17.02 C +ATOM 66 O ILE A 10 15.326 -2.280 13.670 1.00 20.21 O +ATOM 67 CB ILE A 10 12.549 -3.533 13.761 1.00 15.45 C +ATOM 68 CG1 ILE A 10 11.143 -3.815 13.198 1.00 14.80 C +ATOM 69 CG2 ILE A 10 12.573 -3.829 15.269 1.00 17.90 C +ATOM 70 CD1 ILE A 10 10.825 -5.321 13.086 1.00 11.84 C +ATOM 71 N CYS A 11 14.295 -0.954 15.160 1.00 12.01 N +ATOM 72 CA CYS A 11 15.499 -0.647 15.900 1.00 11.95 C +ATOM 73 C CYS A 11 15.736 -1.652 17.042 1.00 12.35 C +ATOM 74 O CYS A 11 14.773 -1.902 17.769 1.00 13.66 O +ATOM 75 CB CYS A 11 15.365 0.759 16.514 1.00 12.99 C +ATOM 76 SG CYS A 11 15.699 2.036 15.237 1.00 13.40 S +ATOM 77 N SER A 12 16.964 -2.139 17.104 1.00 13.65 N +ATOM 78 CA SER A 12 17.348 -3.003 18.224 1.00 13.90 C +ATOM 79 C SER A 12 17.360 -2.178 19.513 1.00 14.65 C +ATOM 80 O SER A 12 17.403 -0.929 19.528 1.00 13.84 O +ATOM 81 CB SER A 12 18.773 -3.553 17.968 1.00 14.53 C +ATOM 82 OG SER A 12 19.725 -2.468 17.995 1.00 15.34 O +ATOM 83 N LEU A 13 17.455 -2.872 20.651 1.00 13.76 N +ATOM 84 CA LEU A 13 17.591 -2.125 21.913 1.00 17.90 C +ATOM 85 C LEU A 13 18.869 -1.297 21.942 1.00 16.04 C +ATOM 86 O LEU A 13 18.845 -0.196 22.500 1.00 15.43 O +ATOM 87 CB LEU A 13 17.603 -3.099 23.113 1.00 21.84 C +ATOM 88 CG LEU A 13 16.226 -3.780 23.286 1.00 21.86 C +ATOM 89 CD1 LEU A 13 15.075 -2.818 23.359 1.00 26.85 C +ATOM 90 CD2 LEU A 13 16.100 -4.730 22.087 1.00 26.40 C +ATOM 91 N TYR A 14 19.942 -1.796 21.288 1.00 16.96 N +ATOM 92 CA TYR A 14 21.174 -1.028 21.231 1.00 17.78 C +ATOM 93 C TYR A 14 20.997 0.270 20.432 1.00 17.27 C +ATOM 94 O TYR A 14 21.516 1.323 20.787 1.00 16.54 O +ATOM 95 CB TYR A 14 22.245 -1.908 20.587 1.00 20.45 C +ATOM 96 CG TYR A 14 23.590 -1.316 20.804 0.00 20.00 C +ATOM 97 CD1 TYR A 14 24.092 -1.178 22.095 0.00 20.00 C +ATOM 98 CD2 TYR A 14 24.359 -0.897 19.718 0.00 20.00 C +ATOM 99 CE1 TYR A 14 25.349 -0.631 22.299 0.00 20.00 C +ATOM 100 CE2 TYR A 14 25.614 -0.352 19.922 0.00 20.00 C +ATOM 101 CZ TYR A 14 26.109 -0.217 21.203 0.00 20.00 C +ATOM 102 OH TYR A 14 27.369 0.308 21.409 0.00 20.00 O +ATOM 103 N GLN A 15 20.206 0.236 19.350 1.00 16.67 N +ATOM 104 CA GLN A 15 19.929 1.427 18.560 1.00 15.78 C +ATOM 105 C GLN A 15 19.024 2.389 19.315 1.00 16.11 C +ATOM 106 O GLN A 15 19.187 3.607 19.168 1.00 16.75 O +ATOM 107 CB GLN A 15 19.227 1.062 17.233 1.00 16.68 C +ATOM 108 CG GLN A 15 20.271 0.432 16.282 1.00 20.70 C +ATOM 109 CD GLN A 15 19.486 -0.066 15.059 1.00 21.67 C +ATOM 110 OE1 GLN A 15 18.738 -1.028 15.144 1.00 20.00 O +ATOM 111 NE2 GLN A 15 19.653 0.712 13.990 1.00 24.27 N +ATOM 112 N LEU A 16 18.086 1.821 20.112 1.00 13.62 N +ATOM 113 CA LEU A 16 17.148 2.665 20.852 1.00 11.92 C +ATOM 114 C LEU A 16 17.936 3.459 21.912 1.00 11.52 C +ATOM 115 O LEU A 16 17.560 4.599 22.177 1.00 10.72 O +ATOM 116 CB LEU A 16 16.049 1.866 21.512 1.00 12.88 C +ATOM 117 CG LEU A 16 14.606 1.587 21.080 1.00 18.06 C +ATOM 118 CD1 LEU A 16 14.229 2.289 19.760 1.00 16.76 C +ATOM 119 CD2 LEU A 16 14.279 0.101 21.063 1.00 16.24 C +ATOM 120 N GLU A 17 19.020 2.848 22.385 1.00 13.23 N +ATOM 121 CA GLU A 17 19.847 3.522 23.409 1.00 16.68 C +ATOM 122 C GLU A 17 20.484 4.820 22.921 1.00 16.74 C +ATOM 123 O GLU A 17 20.820 5.689 23.762 1.00 14.43 O +ATOM 124 CB GLU A 17 21.010 2.612 23.848 1.00 19.71 C +ATOM 125 CG GLU A 17 20.645 1.591 24.886 1.00 26.31 C +ATOM 126 CD GLU A 17 21.852 1.039 25.649 1.00 28.98 C +ATOM 127 OE1 GLU A 17 22.696 1.815 26.171 1.00 30.29 O +ATOM 128 OE2 GLU A 17 21.871 -0.210 25.718 1.00 31.58 O +ATOM 129 N ASN A 18 20.446 5.027 21.598 1.00 15.95 N +ATOM 130 CA ASN A 18 20.925 6.334 21.077 1.00 16.20 C +ATOM 131 C ASN A 18 20.106 7.550 21.494 1.00 14.93 C +ATOM 132 O ASN A 18 20.547 8.727 21.332 1.00 13.50 O +ATOM 133 CB ASN A 18 20.997 6.270 19.537 1.00 18.40 C +ATOM 134 CG ASN A 18 22.179 5.360 19.129 1.00 21.13 C +ATOM 135 OD1 ASN A 18 22.205 4.787 18.043 1.00 24.99 O +ATOM 136 ND2 ASN A 18 23.166 5.201 19.992 1.00 20.37 N +ATOM 137 N TYR A 19 18.861 7.353 21.899 1.00 11.33 N +ATOM 138 CA TYR A 19 17.934 8.411 22.262 1.00 12.21 C +ATOM 139 C TYR A 19 17.772 8.537 23.776 1.00 13.22 C +ATOM 140 O TYR A 19 16.907 9.285 24.246 1.00 13.88 O +ATOM 141 CB TYR A 19 16.560 8.216 21.541 1.00 11.81 C +ATOM 142 CG TYR A 19 16.866 8.122 20.045 1.00 13.55 C +ATOM 143 CD1 TYR A 19 17.069 9.297 19.330 1.00 14.46 C +ATOM 144 CD2 TYR A 19 16.942 6.885 19.405 1.00 12.54 C +ATOM 145 CE1 TYR A 19 17.345 9.228 17.972 1.00 14.52 C +ATOM 146 CE2 TYR A 19 17.241 6.810 18.046 1.00 14.84 C +ATOM 147 CZ TYR A 19 17.450 7.997 17.364 1.00 13.99 C +ATOM 148 OH TYR A 19 17.711 7.962 16.001 1.00 14.09 O +ATOM 149 N CYS A 20 18.669 7.882 24.530 1.00 11.31 N +ATOM 150 CA CYS A 20 18.623 8.048 25.981 1.00 13.00 C +ATOM 151 C CYS A 20 19.297 9.382 26.340 1.00 15.84 C +ATOM 152 O CYS A 20 20.184 9.842 25.600 1.00 15.62 O +ATOM 153 CB CYS A 20 19.353 6.899 26.673 1.00 11.45 C +ATOM 154 SG CYS A 20 18.656 5.266 26.472 1.00 12.80 S +ATOM 155 N ASN A 21 19.032 9.926 27.510 1.00 17.01 N +ATOM 156 CA ASN A 21 19.796 11.059 28.026 1.00 20.29 C +ATOM 157 C ASN A 21 21.152 10.583 28.556 1.00 20.79 C +ATOM 158 O ASN A 21 21.976 11.489 28.780 1.00 24.58 O +ATOM 159 CB ASN A 21 19.013 11.770 29.139 1.00 19.58 C +ATOM 160 CG ASN A 21 17.675 12.323 28.668 1.00 22.60 C +ATOM 161 OD1 ASN A 21 17.553 12.806 27.533 1.00 21.56 O +ATOM 162 ND2 ASN A 21 16.665 12.245 29.543 1.00 22.16 N +ATOM 163 OXT ASN A 21 21.446 9.377 28.733 1.00 22.26 O +TER 164 ASN A 21 +ATOM 165 N PHE B 1 -0.033 11.515 9.458 1.00 19.34 N +ATOM 166 CA PHE B 1 0.153 10.071 9.367 1.00 18.96 C +ATOM 167 C PHE B 1 -0.308 9.365 10.653 1.00 17.67 C +ATOM 168 O PHE B 1 0.392 9.326 11.656 1.00 17.24 O +ATOM 169 CB PHE B 1 1.651 9.795 9.108 1.00 21.72 C +ATOM 170 CG PHE B 1 1.821 8.451 8.442 1.00 23.70 C +ATOM 171 CD1 PHE B 1 0.774 7.536 8.473 1.00 23.34 C +ATOM 172 CD2 PHE B 1 3.020 8.120 7.812 1.00 22.97 C +ATOM 173 CE1 PHE B 1 0.925 6.283 7.875 1.00 23.06 C +ATOM 174 CE2 PHE B 1 3.159 6.855 7.215 1.00 22.19 C +ATOM 175 CZ PHE B 1 2.110 5.938 7.245 1.00 22.46 C +ATOM 176 N VAL B 2 -1.465 8.695 10.707 1.00 15.79 N +ATOM 177 CA VAL B 2 -1.823 7.965 11.918 1.00 13.29 C +ATOM 178 C VAL B 2 -0.812 6.867 12.251 1.00 13.74 C +ATOM 179 O VAL B 2 -0.485 6.689 13.427 1.00 11.95 O +ATOM 180 CB VAL B 2 -3.243 7.356 11.788 1.00 13.01 C +ATOM 181 CG1 VAL B 2 -3.633 6.415 12.917 1.00 14.19 C +ATOM 182 CG2 VAL B 2 -4.260 8.510 11.752 1.00 15.11 C +ATOM 183 N ASN B 3 -0.357 6.133 11.224 1.00 14.18 N +ATOM 184 CA ASN B 3 0.548 4.980 11.509 1.00 13.32 C +ATOM 185 C ASN B 3 1.841 5.498 12.121 1.00 11.20 C +ATOM 186 O ASN B 3 2.437 4.860 13.011 1.00 10.96 O +ATOM 187 CB ASN B 3 0.761 4.192 10.214 0.50 14.45 C +ATOM 188 CG ASN B 3 0.890 2.687 10.289 0.50 17.66 C +ATOM 189 OD1 ASN B 3 0.425 1.900 9.435 0.50 20.23 O +ATOM 190 ND2 ASN B 3 1.576 2.174 11.315 0.50 17.64 N +ATOM 191 N GLN B 4 2.270 6.702 11.749 1.00 11.43 N +ATOM 192 CA GLN B 4 3.440 7.323 12.410 1.00 14.24 C +ATOM 193 C GLN B 4 3.103 7.668 13.869 1.00 14.06 C +ATOM 194 O GLN B 4 3.919 7.484 14.805 1.00 13.65 O +ATOM 195 CB GLN B 4 3.796 8.563 11.614 1.00 18.74 C +ATOM 196 CG GLN B 4 5.061 9.275 12.039 1.00 20.38 C +ATOM 197 CD GLN B 4 5.386 10.510 11.206 1.00 22.18 C +ATOM 198 OE1 GLN B 4 5.960 11.467 11.756 1.00 23.69 O +ATOM 199 NE2 GLN B 4 5.068 10.538 9.917 1.00 21.45 N +ATOM 200 N HIS B 5 1.880 8.145 14.102 1.00 11.14 N +ATOM 201 CA HIS B 5 1.461 8.472 15.485 1.00 11.74 C +ATOM 202 C HIS B 5 1.475 7.197 16.320 1.00 11.12 C +ATOM 203 O HIS B 5 1.981 7.138 17.458 1.00 11.68 O +ATOM 204 CB HIS B 5 0.032 9.070 15.452 1.00 13.62 C +ATOM 205 CG HIS B 5 -0.316 9.467 16.869 1.00 16.74 C +ATOM 206 ND1 HIS B 5 -1.095 8.671 17.694 1.00 19.54 N +ATOM 207 CD2 HIS B 5 0.097 10.555 17.564 1.00 15.02 C +ATOM 208 CE1 HIS B 5 -1.166 9.262 18.891 1.00 18.24 C +ATOM 209 NE2 HIS B 5 -0.473 10.394 18.823 1.00 19.55 N +ATOM 210 N LEU B 6 0.961 6.117 15.749 1.00 8.37 N +ATOM 211 CA LEU B 6 0.937 4.810 16.424 1.00 10.50 C +ATOM 212 C LEU B 6 2.364 4.315 16.720 1.00 10.72 C +ATOM 213 O LEU B 6 2.741 3.899 17.828 1.00 10.53 O +ATOM 214 CB LEU B 6 0.167 3.708 15.661 1.00 9.52 C +ATOM 215 CG LEU B 6 -1.289 4.130 15.338 1.00 12.83 C +ATOM 216 CD1 LEU B 6 -2.013 2.909 14.734 1.00 13.07 C +ATOM 217 CD2 LEU B 6 -2.017 4.638 16.561 1.00 10.54 C +ATOM 218 N CYS B 7 3.250 4.393 15.712 1.00 8.35 N +ATOM 219 CA CYS B 7 4.647 3.967 15.938 1.00 9.68 C +ATOM 220 C CYS B 7 5.298 4.733 17.085 1.00 9.45 C +ATOM 221 O CYS B 7 5.967 4.122 17.931 1.00 10.15 O +ATOM 222 CB CYS B 7 5.469 4.173 14.647 1.00 11.12 C +ATOM 223 SG CYS B 7 7.239 3.705 14.800 1.00 12.93 S +ATOM 224 N GLY B 8 5.087 6.043 17.198 1.00 11.65 N +ATOM 225 CA GLY B 8 5.775 6.903 18.172 1.00 9.70 C +ATOM 226 C GLY B 8 5.355 6.461 19.584 1.00 11.09 C +ATOM 227 O GLY B 8 6.165 6.533 20.515 1.00 10.51 O +ATOM 228 N SER B 9 4.113 6.065 19.746 1.00 8.67 N +ATOM 229 CA SER B 9 3.607 5.641 21.062 1.00 9.62 C +ATOM 230 C SER B 9 4.432 4.455 21.524 1.00 10.47 C +ATOM 231 O SER B 9 4.895 4.387 22.674 1.00 10.51 O +ATOM 232 CB SER B 9 2.118 5.259 20.986 1.00 12.29 C +ATOM 233 OG SER B 9 1.748 4.529 22.145 1.00 18.65 O +ATOM 234 N HIS B 10 4.670 3.491 20.620 1.00 8.44 N +ATOM 235 CA HIS B 10 5.480 2.312 20.941 1.00 10.29 C +ATOM 236 C HIS B 10 6.971 2.620 21.124 1.00 11.47 C +ATOM 237 O HIS B 10 7.637 2.063 22.025 1.00 9.73 O +ATOM 238 CB HIS B 10 5.317 1.243 19.846 1.00 10.66 C +ATOM 239 CG HIS B 10 3.953 0.612 19.876 1.00 11.92 C +ATOM 240 ND1 HIS B 10 3.669 -0.469 20.702 1.00 12.99 N +ATOM 241 CD2 HIS B 10 2.821 0.905 19.205 1.00 9.26 C +ATOM 242 CE1 HIS B 10 2.374 -0.815 20.502 1.00 13.90 C +ATOM 243 NE2 HIS B 10 1.845 0.006 19.593 1.00 10.16 N +ATOM 244 N LEU B 11 7.493 3.622 20.412 1.00 7.87 N +ATOM 245 CA LEU B 11 8.864 4.061 20.592 1.00 8.10 C +ATOM 246 C LEU B 11 9.069 4.661 22.001 1.00 8.76 C +ATOM 247 O LEU B 11 10.069 4.295 22.597 1.00 8.91 O +ATOM 248 CB LEU B 11 9.251 5.229 19.639 1.00 9.66 C +ATOM 249 CG LEU B 11 9.559 4.763 18.199 1.00 10.94 C +ATOM 250 CD1 LEU B 11 9.847 6.006 17.349 1.00 11.89 C +ATOM 251 CD2 LEU B 11 10.730 3.793 18.158 1.00 11.90 C +ATOM 252 N VAL B 12 8.105 5.480 22.430 1.00 9.62 N +ATOM 253 CA VAL B 12 8.293 6.093 23.764 1.00 9.79 C +ATOM 254 C VAL B 12 8.236 5.023 24.868 1.00 9.90 C +ATOM 255 O VAL B 12 9.055 5.099 25.793 1.00 10.58 O +ATOM 256 CB VAL B 12 7.249 7.222 23.975 1.00 11.32 C +ATOM 257 CG1AVAL B 12 7.518 8.391 23.024 0.50 10.13 C +ATOM 258 CG1BVAL B 12 6.969 7.504 25.436 0.50 11.03 C +ATOM 259 CG2AVAL B 12 5.813 6.725 23.856 0.50 10.40 C +ATOM 260 CG2BVAL B 12 7.750 8.498 23.270 0.50 9.70 C +ATOM 261 N GLU B 13 7.394 4.015 24.738 1.00 10.16 N +ATOM 262 CA GLU B 13 7.426 3.016 25.792 1.00 12.77 C +ATOM 263 C GLU B 13 8.700 2.162 25.754 1.00 12.34 C +ATOM 264 O GLU B 13 9.255 1.804 26.782 1.00 11.97 O +ATOM 265 CB GLU B 13 6.206 2.126 25.629 1.00 14.75 C +ATOM 266 CG GLU B 13 6.557 0.751 25.096 1.00 20.93 C +ATOM 267 CD GLU B 13 5.290 0.049 24.689 0.50 20.29 C +ATOM 268 OE1 GLU B 13 4.254 0.342 25.271 0.50 20.66 O +ATOM 269 OE2 GLU B 13 5.341 -0.786 23.789 0.50 18.33 O +ATOM 270 N ALA B 14 9.270 1.876 24.571 1.00 8.95 N +ATOM 271 CA ALA B 14 10.559 1.202 24.468 1.00 9.45 C +ATOM 272 C ALA B 14 11.700 2.058 25.026 1.00 8.61 C +ATOM 273 O ALA B 14 12.506 1.505 25.781 1.00 9.21 O +ATOM 274 CB ALA B 14 10.878 0.866 23.013 1.00 8.68 C +ATOM 275 N LEU B 15 11.707 3.360 24.766 1.00 6.52 N +ATOM 276 CA LEU B 15 12.729 4.255 25.324 1.00 8.05 C +ATOM 277 C LEU B 15 12.653 4.263 26.865 1.00 11.39 C +ATOM 278 O LEU B 15 13.682 4.249 27.533 1.00 10.27 O +ATOM 279 CB LEU B 15 12.502 5.691 24.845 1.00 8.99 C +ATOM 280 CG LEU B 15 12.915 5.876 23.349 1.00 10.04 C +ATOM 281 CD1 LEU B 15 12.727 7.371 23.033 1.00 10.13 C +ATOM 282 CD2 LEU B 15 14.313 5.373 23.032 1.00 11.22 C +ATOM 283 N TYR B 16 11.404 4.279 27.341 1.00 10.19 N +ATOM 284 CA TYR B 16 11.262 4.256 28.797 1.00 10.51 C +ATOM 285 C TYR B 16 11.929 3.059 29.421 1.00 11.51 C +ATOM 286 O TYR B 16 12.656 3.190 30.441 1.00 11.05 O +ATOM 287 CB TYR B 16 9.761 4.231 29.107 1.00 10.84 C +ATOM 288 CG TYR B 16 9.538 4.271 30.604 1.00 9.91 C +ATOM 289 CD1 TYR B 16 9.694 5.465 31.303 1.00 11.84 C +ATOM 290 CD2 TYR B 16 9.137 3.122 31.286 1.00 12.37 C +ATOM 291 CE1 TYR B 16 9.446 5.514 32.669 1.00 12.87 C +ATOM 292 CE2 TYR B 16 8.889 3.170 32.652 1.00 11.58 C +ATOM 293 CZ TYR B 16 9.039 4.358 33.341 1.00 11.87 C +ATOM 294 OH TYR B 16 8.761 4.421 34.690 1.00 11.68 O +ATOM 295 N LEU B 17 11.716 1.873 28.872 1.00 11.39 N +ATOM 296 CA LEU B 17 12.377 0.653 29.379 1.00 13.49 C +ATOM 297 C LEU B 17 13.885 0.633 29.153 1.00 14.17 C +ATOM 298 O LEU B 17 14.688 0.421 30.072 1.00 11.89 O +ATOM 299 CB LEU B 17 11.714 -0.566 28.715 1.00 15.58 C +ATOM 300 CG LEU B 17 12.324 -1.930 29.104 1.00 17.40 C +ATOM 301 CD1 LEU B 17 12.018 -2.194 30.560 1.00 20.55 C +ATOM 302 CD2 LEU B 17 11.788 -3.024 28.182 1.00 20.68 C +ATOM 303 N VAL B 18 14.311 0.930 27.933 1.00 13.18 N +ATOM 304 CA VAL B 18 15.743 0.854 27.609 1.00 12.73 C +ATOM 305 C VAL B 18 16.571 1.829 28.452 1.00 14.11 C +ATOM 306 O VAL B 18 17.675 1.440 28.854 1.00 13.65 O +ATOM 307 CB VAL B 18 15.937 1.107 26.107 1.00 14.19 C +ATOM 308 CG1 VAL B 18 17.391 1.331 25.712 1.00 14.36 C +ATOM 309 CG2 VAL B 18 15.347 -0.095 25.356 1.00 13.24 C +ATOM 310 N CYS B 19 16.078 3.043 28.652 1.00 13.28 N +ATOM 311 CA CYS B 19 16.930 4.103 29.170 1.00 13.50 C +ATOM 312 C CYS B 19 16.984 4.124 30.693 1.00 14.65 C +ATOM 313 O CYS B 19 18.018 4.664 31.120 1.00 16.63 O +ATOM 314 CB CYS B 19 16.490 5.494 28.682 1.00 11.09 C +ATOM 315 SG CYS B 19 16.665 5.541 26.839 1.00 11.99 S +ATOM 316 N GLY B 20 16.020 3.486 31.304 1.00 16.50 N +ATOM 317 CA GLY B 20 16.027 3.406 32.781 1.00 19.06 C +ATOM 318 C GLY B 20 16.206 4.780 33.423 1.00 19.58 C +ATOM 319 O GLY B 20 15.569 5.776 33.109 1.00 19.11 O +ATOM 320 N GLU B 21 17.132 4.787 34.480 1.00 22.90 N +ATOM 321 CA GLU B 21 17.263 6.015 35.250 0.50 24.69 C +ATOM 322 C GLU B 21 17.775 7.169 34.433 1.00 23.70 C +ATOM 323 O GLU B 21 17.605 8.362 34.853 1.00 23.35 O +ATOM 324 CB GLU B 21 18.229 5.733 36.419 1.00 27.38 C +ATOM 325 CG GLU B 21 17.704 4.644 37.373 1.00 32.25 C +ATOM 326 CD GLU B 21 18.709 4.388 38.486 1.00 36.41 C +ATOM 327 OE1 GLU B 21 18.844 5.227 39.366 1.00 37.51 O +ATOM 328 OE2 GLU B 21 19.348 3.337 38.465 1.00 39.69 O +ATOM 329 N ARG B 22 18.403 6.922 33.277 1.00 24.23 N +ATOM 330 CA ARG B 22 18.860 8.061 32.493 1.00 23.74 C +ATOM 331 C ARG B 22 17.698 8.879 31.911 1.00 23.51 C +ATOM 332 O ARG B 22 17.917 10.054 31.590 1.00 24.29 O +ATOM 333 CB ARG B 22 19.755 7.667 31.319 1.00 23.89 C +ATOM 334 CG ARG B 22 20.988 6.826 31.663 1.00 24.86 C +ATOM 335 CD AARG B 22 21.383 6.047 30.414 0.50 22.88 C +ATOM 336 CD BARG B 22 21.518 6.125 30.415 0.50 27.10 C +ATOM 337 NE AARG B 22 20.630 4.768 30.310 0.50 20.11 N +ATOM 338 NE BARG B 22 22.063 7.068 29.445 0.50 28.53 N +ATOM 339 CZ AARG B 22 21.034 3.964 29.314 0.50 18.31 C +ATOM 340 CZ BARG B 22 22.512 6.766 28.227 0.50 28.80 C +ATOM 341 NH1AARG B 22 22.032 4.460 28.578 0.50 16.61 N +ATOM 342 NH1BARG B 22 22.483 5.512 27.778 0.50 29.64 N +ATOM 343 NH2AARG B 22 20.502 2.785 29.088 0.50 17.86 N +ATOM 344 NH2BARG B 22 22.992 7.742 27.462 0.50 28.25 N +ATOM 345 N GLY B 23 16.542 8.260 31.676 1.00 21.21 N +ATOM 346 CA GLY B 23 15.476 8.965 30.973 1.00 17.85 C +ATOM 347 C GLY B 23 15.910 9.035 29.481 1.00 16.17 C +ATOM 348 O GLY B 23 16.948 8.525 29.063 1.00 15.57 O +ATOM 349 N PHE B 24 15.060 9.736 28.719 1.00 16.41 N +ATOM 350 CA PHE B 24 15.294 9.883 27.290 1.00 14.32 C +ATOM 351 C PHE B 24 14.711 11.193 26.767 1.00 15.53 C +ATOM 352 O PHE B 24 14.070 12.029 27.427 1.00 13.74 O +ATOM 353 CB PHE B 24 14.629 8.654 26.606 1.00 14.57 C +ATOM 354 CG PHE B 24 13.133 8.578 26.869 1.00 12.67 C +ATOM 355 CD1 PHE B 24 12.241 9.227 26.006 1.00 13.47 C +ATOM 356 CD2 PHE B 24 12.621 7.877 27.944 1.00 13.45 C +ATOM 357 CE1 PHE B 24 10.874 9.179 26.215 1.00 13.73 C +ATOM 358 CE2 PHE B 24 11.235 7.832 28.174 1.00 12.29 C +ATOM 359 CZ PHE B 24 10.353 8.476 27.306 1.00 12.89 C +ATOM 360 N PHE B 25 14.881 11.324 25.434 1.00 13.94 N +ATOM 361 CA PHE B 25 14.258 12.460 24.751 1.00 14.60 C +ATOM 362 C PHE B 25 13.508 11.910 23.539 1.00 14.93 C +ATOM 363 O PHE B 25 13.987 11.001 22.864 1.00 13.67 O +ATOM 364 CB PHE B 25 15.308 13.514 24.380 1.00 15.04 C +ATOM 365 CG PHE B 25 16.412 13.000 23.477 1.00 13.77 C +ATOM 366 CD1 PHE B 25 17.547 12.407 23.984 1.00 13.66 C +ATOM 367 CD2 PHE B 25 16.281 13.138 22.102 1.00 13.30 C +ATOM 368 CE1 PHE B 25 18.568 11.938 23.157 1.00 15.48 C +ATOM 369 CE2 PHE B 25 17.296 12.669 21.271 1.00 14.01 C +ATOM 370 CZ PHE B 25 18.431 12.071 21.773 1.00 15.13 C +ATOM 371 N TYR B 26 12.301 12.426 23.369 1.00 14.37 N +ATOM 372 CA TYR B 26 11.435 12.097 22.266 1.00 15.48 C +ATOM 373 C TYR B 26 11.217 13.409 21.495 1.00 16.01 C +ATOM 374 O TYR B 26 10.559 14.367 21.913 1.00 15.61 O +ATOM 375 CB TYR B 26 10.091 11.494 22.723 1.00 14.77 C +ATOM 376 CG TYR B 26 9.342 11.170 21.438 1.00 16.27 C +ATOM 377 CD1 TYR B 26 9.803 10.076 20.685 1.00 18.21 C +ATOM 378 CD2 TYR B 26 8.271 11.920 20.985 1.00 17.64 C +ATOM 379 CE1 TYR B 26 9.153 9.746 19.495 1.00 20.02 C +ATOM 380 CE2 TYR B 26 7.622 11.595 19.798 1.00 18.17 C +ATOM 381 CZ TYR B 26 8.094 10.510 19.080 1.00 19.91 C +ATOM 382 OH TYR B 26 7.452 10.175 17.889 1.00 23.34 O +ATOM 383 N THR B 27 11.857 13.422 20.331 1.00 18.97 N +ATOM 384 CA THR B 27 11.818 14.564 19.425 1.00 22.72 C +ATOM 385 C THR B 27 11.306 14.121 18.066 1.00 25.02 C +ATOM 386 O THR B 27 12.078 13.545 17.293 1.00 27.38 O +ATOM 387 CB THR B 27 13.272 15.081 19.303 1.00 24.43 C +ATOM 388 OG1 THR B 27 13.720 15.520 20.589 1.00 24.72 O +ATOM 389 CG2 THR B 27 13.287 16.212 18.289 1.00 25.43 C +ATOM 390 N PRO B 28 10.045 14.310 17.775 1.00 26.12 N +ATOM 391 CA PRO B 28 9.509 14.094 16.454 1.00 27.33 C +ATOM 392 C PRO B 28 10.137 15.044 15.458 1.00 26.55 C +ATOM 393 O PRO B 28 10.957 14.665 14.632 1.00 29.42 O +ATOM 394 CB PRO B 28 8.003 14.310 16.505 1.00 27.78 C +ATOM 395 CG PRO B 28 7.667 15.056 17.787 1.00 27.06 C +ATOM 396 CD PRO B 28 9.062 15.026 18.581 1.00 26.60 C +ATOM 397 N LYS B 29 9.695 16.298 15.544 0.00 20.00 N +ATOM 398 CA LYS B 29 10.745 17.200 15.115 0.00 20.00 C +ATOM 399 C LYS B 29 11.390 17.910 16.310 0.00 20.00 C +ATOM 400 O LYS B 29 11.743 19.080 16.256 0.00 20.00 O +ATOM 401 CB LYS B 29 10.129 18.222 14.161 0.00 20.00 C +ATOM 402 CG LYS B 29 9.263 17.565 13.075 0.00 20.00 C +ATOM 403 CD LYS B 29 9.250 16.036 13.175 0.00 20.00 C +ATOM 404 CE LYS B 29 7.837 15.454 13.029 0.00 20.00 C +ATOM 405 NZ LYS B 29 7.917 14.018 12.766 0.00 20.00 N +ATOM 406 OXT LYS B 29 11.582 17.340 17.375 1.00 20.00 O +TER 407 LYS B 29 +ATOM 408 N GLY C 1 9.561 16.902 40.400 1.00 25.15 N +ATOM 409 CA GLY C 1 9.652 16.421 38.993 1.00 24.03 C +ATOM 410 C GLY C 1 8.289 15.847 38.582 1.00 21.94 C +ATOM 411 O GLY C 1 7.337 15.870 39.370 1.00 20.36 O +ATOM 412 N ILE C 2 8.224 15.392 37.304 1.00 21.30 N +ATOM 413 CA ILE C 2 6.897 14.886 36.899 1.00 20.64 C +ATOM 414 C ILE C 2 6.488 13.674 37.728 1.00 19.52 C +ATOM 415 O ILE C 2 5.274 13.440 37.943 1.00 20.97 O +ATOM 416 CB ILE C 2 6.859 14.511 35.408 1.00 20.00 C +ATOM 417 CG1 ILE C 2 5.410 14.111 35.024 1.00 21.03 C +ATOM 418 CG2 ILE C 2 7.818 13.358 35.138 1.00 19.31 C +ATOM 419 CD1 ILE C 2 5.189 14.230 33.510 1.00 21.96 C +ATOM 420 N VAL C 3 7.465 12.857 38.120 1.00 18.35 N +ATOM 421 CA VAL C 3 7.100 11.620 38.856 1.00 19.63 C +ATOM 422 C VAL C 3 6.544 11.943 40.238 1.00 20.10 C +ATOM 423 O VAL C 3 5.491 11.440 40.680 1.00 20.07 O +ATOM 424 CB VAL C 3 8.313 10.678 38.924 1.00 19.86 C +ATOM 425 CG1 VAL C 3 7.935 9.429 39.729 1.00 20.89 C +ATOM 426 CG2 VAL C 3 8.876 10.293 37.544 1.00 20.25 C +ATOM 427 N GLU C 4 7.199 12.893 40.920 1.00 20.44 N +ATOM 428 CA GLU C 4 6.774 13.277 42.263 1.00 21.54 C +ATOM 429 C GLU C 4 5.402 13.959 42.246 1.00 21.00 C +ATOM 430 O GLU C 4 4.550 13.727 43.096 1.00 22.33 O +ATOM 431 CB GLU C 4 7.832 14.224 42.854 1.00 22.41 C +ATOM 432 CG GLU C 4 7.565 14.520 44.339 0.00 20.00 C +ATOM 433 CD GLU C 4 8.693 15.352 44.915 0.00 20.00 C +ATOM 434 OE1 GLU C 4 9.746 15.436 44.288 0.00 20.00 O +ATOM 435 OE2 GLU C 4 8.515 15.907 45.998 0.00 20.00 O +ATOM 436 N GLN C 5 5.181 14.794 41.220 1.00 17.55 N +ATOM 437 CA GLN C 5 3.897 15.482 41.115 1.00 17.62 C +ATOM 438 C GLN C 5 2.757 14.560 40.704 1.00 16.92 C +ATOM 439 O GLN C 5 1.674 14.540 41.274 1.00 15.60 O +ATOM 440 CB GLN C 5 4.033 16.644 40.092 1.00 18.50 C +ATOM 441 CG GLN C 5 2.761 17.478 40.145 1.00 19.84 C +ATOM 442 CD GLN C 5 2.634 18.601 39.135 1.00 21.39 C +ATOM 443 OE1 GLN C 5 1.661 19.372 39.229 1.00 22.54 O +ATOM 444 NE2 GLN C 5 3.562 18.730 38.188 1.00 21.12 N +ATOM 445 N CYS C 6 2.975 13.867 39.559 1.00 16.03 N +ATOM 446 CA CYS C 6 1.917 13.159 38.866 1.00 15.58 C +ATOM 447 C CYS C 6 1.849 11.650 39.168 1.00 15.29 C +ATOM 448 O CYS C 6 0.921 11.005 38.694 1.00 14.93 O +ATOM 449 CB CYS C 6 2.133 13.349 37.341 1.00 17.35 C +ATOM 450 SG CYS C 6 2.067 15.113 36.837 1.00 17.84 S +ATOM 451 N CYS C 7 2.637 11.167 40.124 1.00 16.57 N +ATOM 452 CA CYS C 7 2.464 9.788 40.601 1.00 16.34 C +ATOM 453 C CYS C 7 1.911 9.822 42.031 1.00 18.02 C +ATOM 454 O CYS C 7 1.537 8.767 42.553 1.00 18.93 O +ATOM 455 CB CYS C 7 3.766 8.977 40.535 1.00 16.71 C +ATOM 456 SG CYS C 7 4.288 8.592 38.849 1.00 16.66 S +ATOM 457 N THR C 8 1.712 11.044 42.567 1.00 19.89 N +ATOM 458 CA THR C 8 1.081 11.163 43.901 1.00 21.78 C +ATOM 459 C THR C 8 -0.276 11.831 43.772 1.00 22.00 C +ATOM 460 O THR C 8 -1.140 11.785 44.662 1.00 23.79 O +ATOM 461 CB THR C 8 1.978 11.911 44.913 1.00 20.77 C +ATOM 462 OG1 THR C 8 2.247 13.248 44.476 1.00 22.17 O +ATOM 463 CG2 THR C 8 3.334 11.227 45.104 1.00 20.90 C +ATOM 464 N SER C 9 -0.550 12.463 42.636 1.00 21.27 N +ATOM 465 CA SER C 9 -1.804 13.122 42.311 1.00 22.73 C +ATOM 466 C SER C 9 -2.228 12.892 40.868 1.00 21.62 C +ATOM 467 O SER C 9 -1.274 12.853 40.077 1.00 23.09 O +ATOM 468 CB SER C 9 -1.611 14.665 42.474 1.00 25.15 C +ATOM 469 OG SER C 9 -2.322 15.050 43.625 1.00 29.18 O +ATOM 470 N ILE C 10 -3.506 12.818 40.491 1.00 20.05 N +ATOM 471 CA ILE C 10 -3.737 12.670 39.029 1.00 19.91 C +ATOM 472 C ILE C 10 -3.516 14.039 38.366 1.00 19.49 C +ATOM 473 O ILE C 10 -4.192 15.009 38.759 1.00 20.86 O +ATOM 474 CB ILE C 10 -5.116 12.113 38.691 1.00 21.05 C +ATOM 475 CG1 ILE C 10 -5.307 10.767 39.427 1.00 19.91 C +ATOM 476 CG2 ILE C 10 -5.298 11.881 37.183 1.00 22.50 C +ATOM 477 CD1 ILE C 10 -6.776 10.337 39.377 1.00 20.68 C +ATOM 478 N CYS C 11 -2.591 14.096 37.409 1.00 16.14 N +ATOM 479 CA CYS C 11 -2.359 15.343 36.683 1.00 15.48 C +ATOM 480 C CYS C 11 -3.295 15.486 35.494 1.00 16.80 C +ATOM 481 O CYS C 11 -3.546 14.520 34.758 1.00 15.28 O +ATOM 482 CB CYS C 11 -0.928 15.416 36.163 1.00 15.70 C +ATOM 483 SG CYS C 11 0.298 15.740 37.453 1.00 18.00 S +ATOM 484 N SER C 12 -3.857 16.691 35.371 1.00 15.57 N +ATOM 485 CA SER C 12 -4.748 16.998 34.265 1.00 16.05 C +ATOM 486 C SER C 12 -3.907 17.125 32.982 1.00 15.39 C +ATOM 487 O SER C 12 -2.690 17.168 33.091 1.00 15.86 O +ATOM 488 CB SER C 12 -5.484 18.320 34.551 1.00 15.69 C +ATOM 489 OG SER C 12 -4.499 19.374 34.385 1.00 13.22 O +ATOM 490 N LEU C 13 -4.549 17.310 31.818 1.00 15.97 N +ATOM 491 CA LEU C 13 -3.738 17.513 30.605 1.00 14.91 C +ATOM 492 C LEU C 13 -2.921 18.798 30.738 1.00 14.40 C +ATOM 493 O LEU C 13 -1.852 18.912 30.167 1.00 14.71 O +ATOM 494 CB LEU C 13 -4.643 17.642 29.375 1.00 16.68 C +ATOM 495 CG LEU C 13 -5.589 16.463 29.073 1.00 20.27 C +ATOM 496 CD1 LEU C 13 -6.592 16.875 27.983 1.00 22.15 C +ATOM 497 CD2 LEU C 13 -4.787 15.243 28.643 1.00 20.61 C +ATOM 498 N TYR C 14 -3.509 19.820 31.377 1.00 13.50 N +ATOM 499 CA TYR C 14 -2.790 21.095 31.505 1.00 13.81 C +ATOM 500 C TYR C 14 -1.518 20.978 32.328 1.00 13.99 C +ATOM 501 O TYR C 14 -0.486 21.632 32.009 1.00 12.71 O +ATOM 502 CB TYR C 14 -3.739 22.095 32.175 1.00 14.46 C +ATOM 503 CG TYR C 14 -4.997 22.248 31.345 1.00 17.37 C +ATOM 504 CD1 TYR C 14 -5.039 23.161 30.289 1.00 20.49 C +ATOM 505 CD2 TYR C 14 -6.129 21.500 31.651 1.00 18.43 C +ATOM 506 CE1 TYR C 14 -6.204 23.323 29.552 1.00 22.41 C +ATOM 507 CE2 TYR C 14 -7.293 21.661 30.914 1.00 21.60 C +ATOM 508 CZ TYR C 14 -7.327 22.578 29.862 1.00 23.98 C +ATOM 509 OH TYR C 14 -8.500 22.756 29.153 1.00 27.15 O +ATOM 510 N GLN C 15 -1.631 20.181 33.393 1.00 13.71 N +ATOM 511 CA GLN C 15 -0.478 19.930 34.279 1.00 15.11 C +ATOM 512 C GLN C 15 0.606 19.096 33.610 1.00 14.48 C +ATOM 513 O GLN C 15 1.827 19.287 33.739 1.00 13.35 O +ATOM 514 CB GLN C 15 -0.961 19.259 35.568 1.00 16.71 C +ATOM 515 CG GLN C 15 -1.811 20.187 36.453 1.00 17.35 C +ATOM 516 CD GLN C 15 -2.292 19.406 37.687 1.00 19.91 C +ATOM 517 OE1 GLN C 15 -1.903 19.767 38.817 1.00 22.29 O +ATOM 518 NE2 GLN C 15 -3.137 18.427 37.484 1.00 16.89 N +ATOM 519 N LEU C 16 0.168 18.125 32.784 1.00 13.45 N +ATOM 520 CA LEU C 16 1.140 17.343 32.014 1.00 14.00 C +ATOM 521 C LEU C 16 1.849 18.209 30.974 1.00 13.51 C +ATOM 522 O LEU C 16 3.055 18.074 30.710 1.00 14.25 O +ATOM 523 CB LEU C 16 0.378 16.183 31.348 1.00 15.21 C +ATOM 524 CG LEU C 16 -0.091 15.089 32.309 1.00 18.94 C +ATOM 525 CD1 LEU C 16 -1.152 14.220 31.616 1.00 17.80 C +ATOM 526 CD2 LEU C 16 1.095 14.261 32.796 1.00 19.02 C +ATOM 527 N GLU C 17 1.069 19.073 30.301 1.00 15.12 N +ATOM 528 CA GLU C 17 1.634 19.913 29.233 1.00 15.92 C +ATOM 529 C GLU C 17 2.797 20.779 29.735 1.00 17.19 C +ATOM 530 O GLU C 17 3.748 21.122 28.993 1.00 14.29 O +ATOM 531 CB GLU C 17 0.487 20.715 28.613 1.00 19.95 C +ATOM 532 CG GLU C 17 0.945 21.767 27.619 1.00 20.55 C +ATOM 533 CD GLU C 17 -0.192 22.695 27.202 1.00 22.66 C +ATOM 534 OE1 GLU C 17 -1.140 22.961 27.961 1.00 20.76 O +ATOM 535 OE2 GLU C 17 -0.099 23.170 26.046 1.00 23.83 O +ATOM 536 N ASN C 18 2.982 21.027 31.051 1.00 17.01 N +ATOM 537 CA ASN C 18 4.005 21.788 31.693 1.00 21.36 C +ATOM 538 C ASN C 18 5.326 21.178 31.493 1.00 21.35 C +ATOM 539 O ASN C 18 6.362 21.857 31.537 1.00 21.45 O +ATOM 540 CB ASN C 18 3.719 21.845 33.183 1.00 23.14 C +ATOM 541 CG ASN C 18 3.989 23.247 33.658 1.00 26.60 C +ATOM 542 OD1 ASN C 18 3.514 24.235 33.101 1.00 27.70 O +ATOM 543 ND2 ASN C 18 4.769 23.330 34.748 1.00 27.04 N +ATOM 544 N TYR C 19 5.323 19.831 31.312 1.00 19.97 N +ATOM 545 CA TYR C 19 6.582 19.088 31.131 1.00 18.92 C +ATOM 546 C TYR C 19 6.988 18.900 29.629 1.00 19.02 C +ATOM 547 O TYR C 19 8.035 18.264 29.331 1.00 18.45 O +ATOM 548 CB TYR C 19 6.430 17.671 31.811 1.00 19.44 C +ATOM 549 CG TYR C 19 5.751 17.725 33.212 1.00 19.26 C +ATOM 550 CD1 TYR C 19 4.341 17.742 33.343 1.00 19.95 C +ATOM 551 CD2 TYR C 19 6.530 17.682 34.369 1.00 18.67 C +ATOM 552 CE1 TYR C 19 3.749 17.720 34.625 1.00 18.98 C +ATOM 553 CE2 TYR C 19 5.940 17.662 35.627 1.00 19.11 C +ATOM 554 CZ TYR C 19 4.577 17.682 35.763 1.00 21.03 C +ATOM 555 OH TYR C 19 4.019 17.712 37.029 1.00 20.39 O +ATOM 556 N CYS C 20 6.191 19.427 28.695 1.00 19.35 N +ATOM 557 CA CYS C 20 6.526 19.310 27.275 1.00 17.99 C +ATOM 558 C CYS C 20 7.695 20.238 26.915 1.00 20.89 C +ATOM 559 O CYS C 20 7.931 21.228 27.617 1.00 19.33 O +ATOM 560 CB CYS C 20 5.370 19.741 26.356 1.00 17.08 C +ATOM 561 SG CYS C 20 3.910 18.678 26.622 1.00 15.08 S +ATOM 562 N ASN C 21 8.406 19.913 25.854 1.00 22.42 N +ATOM 563 CA ASN C 21 9.435 20.831 25.350 1.00 27.31 C +ATOM 564 C ASN C 21 8.836 22.064 24.688 1.00 29.04 C +ATOM 565 O ASN C 21 9.639 22.994 24.412 1.00 32.40 O +ATOM 566 CB ASN C 21 10.327 20.026 24.385 1.00 30.64 C +ATOM 567 CG ASN C 21 11.609 19.677 25.117 1.00 33.11 C +ATOM 568 OD1 ASN C 21 11.873 18.529 25.484 1.00 36.46 O +ATOM 569 ND2 ASN C 21 12.415 20.737 25.330 1.00 34.77 N +ATOM 570 OXT ASN C 21 7.614 22.190 24.445 1.00 27.73 O +TER 571 ASN C 21 +ATOM 572 N PHE D 1 11.900 0.573 42.957 1.00 26.70 N +ATOM 573 CA PHE D 1 10.519 0.802 43.372 1.00 25.27 C +ATOM 574 C PHE D 1 9.546 0.664 42.173 1.00 24.21 C +ATOM 575 O PHE D 1 9.347 1.582 41.389 1.00 22.19 O +ATOM 576 CB PHE D 1 10.425 2.220 43.947 1.00 28.36 C +ATOM 577 CG PHE D 1 9.033 2.484 44.463 1.00 27.79 C +ATOM 578 CD1 PHE D 1 8.277 1.435 44.974 1.00 28.98 C +ATOM 579 CD2 PHE D 1 8.512 3.773 44.437 1.00 26.87 C +ATOM 580 CE1 PHE D 1 7.000 1.679 45.459 1.00 29.06 C +ATOM 581 CE2 PHE D 1 7.230 4.007 44.930 1.00 27.01 C +ATOM 582 CZ PHE D 1 6.471 2.961 45.441 1.00 27.89 C +ATOM 583 N VAL D 2 9.063 -0.597 42.129 1.00 23.05 N +ATOM 584 CA VAL D 2 8.158 -0.974 41.032 1.00 19.63 C +ATOM 585 C VAL D 2 6.944 -0.085 40.841 1.00 19.23 C +ATOM 586 O VAL D 2 6.672 0.287 39.678 1.00 15.07 O +ATOM 587 CB VAL D 2 7.756 -2.462 41.194 1.00 21.42 C +ATOM 588 CG1 VAL D 2 6.778 -2.956 40.147 1.00 19.70 C +ATOM 589 CG2 VAL D 2 9.055 -3.297 41.091 1.00 21.14 C +ATOM 590 N ASN D 3 6.187 0.291 41.887 1.00 17.22 N +ATOM 591 CA ASN D 3 5.006 1.132 41.611 1.00 17.37 C +ATOM 592 C ASN D 3 5.345 2.430 40.887 1.00 15.45 C +ATOM 593 O ASN D 3 4.546 2.928 40.068 1.00 13.11 O +ATOM 594 CB ASN D 3 4.270 1.378 42.950 0.50 19.16 C +ATOM 595 CG ASN D 3 2.773 1.261 42.676 0.50 20.91 C +ATOM 596 OD1 ASN D 3 2.158 0.205 42.838 0.50 24.23 O +ATOM 597 ND2 ASN D 3 2.234 2.393 42.214 0.50 21.29 N +ATOM 598 N GLN D 4 6.461 3.079 41.192 1.00 16.09 N +ATOM 599 CA GLN D 4 6.908 4.280 40.511 1.00 17.38 C +ATOM 600 C GLN D 4 7.273 3.895 39.063 1.00 14.80 C +ATOM 601 O GLN D 4 7.009 4.669 38.158 1.00 16.22 O +ATOM 602 CB GLN D 4 8.140 4.826 41.216 1.00 21.44 C +ATOM 603 CG GLN D 4 8.725 6.135 40.750 1.00 25.79 C +ATOM 604 CD GLN D 4 9.863 6.499 41.721 1.00 30.06 C +ATOM 605 OE1 GLN D 4 11.018 6.428 41.327 1.00 33.29 O +ATOM 606 NE2 GLN D 4 9.487 6.856 42.947 1.00 31.87 N +ATOM 607 N HIS D 5 7.858 2.731 38.888 1.00 13.18 N +ATOM 608 CA HIS D 5 8.254 2.294 37.520 1.00 13.79 C +ATOM 609 C HIS D 5 6.998 2.182 36.673 1.00 15.12 C +ATOM 610 O HIS D 5 6.976 2.690 35.527 1.00 14.65 O +ATOM 611 CB HIS D 5 9.032 0.971 37.562 1.00 16.89 C +ATOM 612 CG HIS D 5 9.508 0.642 36.165 1.00 18.34 C +ATOM 613 ND1 HIS D 5 8.946 -0.311 35.351 1.00 21.29 N +ATOM 614 CD2 HIS D 5 10.544 1.204 35.501 1.00 18.05 C +ATOM 615 CE1 HIS D 5 9.605 -0.304 34.181 1.00 21.17 C +ATOM 616 NE2 HIS D 5 10.602 0.575 34.273 1.00 22.62 N +ATOM 617 N LEU D 6 5.970 1.512 37.240 1.00 11.49 N +ATOM 618 CA LEU D 6 4.706 1.362 36.505 1.00 9.87 C +ATOM 619 C LEU D 6 4.062 2.715 36.255 1.00 12.62 C +ATOM 620 O LEU D 6 3.614 2.996 35.113 1.00 13.45 O +ATOM 621 CB LEU D 6 3.707 0.442 37.254 1.00 11.71 C +ATOM 622 CG LEU D 6 4.300 -0.929 37.599 1.00 13.00 C +ATOM 623 CD1 LEU D 6 3.194 -1.853 38.143 1.00 14.22 C +ATOM 624 CD2 LEU D 6 4.947 -1.640 36.410 1.00 14.19 C +ATOM 625 N CYS D 7 3.980 3.596 37.252 1.00 10.77 N +ATOM 626 CA CYS D 7 3.381 4.922 37.017 1.00 12.61 C +ATOM 627 C CYS D 7 4.089 5.695 35.907 1.00 11.20 C +ATOM 628 O CYS D 7 3.423 6.280 35.030 1.00 12.44 O +ATOM 629 CB CYS D 7 3.433 5.736 38.350 1.00 12.44 C +ATOM 630 SG CYS D 7 2.798 7.431 38.130 1.00 14.32 S +ATOM 631 N GLY D 8 5.408 5.672 35.870 1.00 12.27 N +ATOM 632 CA GLY D 8 6.211 6.422 34.850 1.00 9.55 C +ATOM 633 C GLY D 8 5.848 5.874 33.461 1.00 11.92 C +ATOM 634 O GLY D 8 5.959 6.744 32.581 1.00 12.45 O +ATOM 635 N SER D 9 5.589 4.575 33.313 1.00 10.62 N +ATOM 636 CA SER D 9 5.307 4.069 31.937 1.00 11.62 C +ATOM 637 C SER D 9 4.053 4.751 31.421 1.00 12.28 C +ATOM 638 O SER D 9 3.933 5.149 30.257 1.00 13.45 O +ATOM 639 CB SER D 9 5.200 2.527 31.931 1.00 16.33 C +ATOM 640 OG SER D 9 4.398 2.115 30.818 1.00 21.89 O +ATOM 641 N HIS D 10 3.057 4.943 32.310 1.00 11.69 N +ATOM 642 CA HIS D 10 1.817 5.618 31.958 1.00 11.55 C +ATOM 643 C HIS D 10 2.042 7.107 31.772 1.00 11.66 C +ATOM 644 O HIS D 10 1.476 7.717 30.822 1.00 10.92 O +ATOM 645 CB HIS D 10 0.726 5.381 33.020 1.00 11.46 C +ATOM 646 CG HIS D 10 0.274 3.952 33.020 1.00 12.11 C +ATOM 647 ND1 HIS D 10 -0.662 3.439 32.137 1.00 15.26 N +ATOM 648 CD2 HIS D 10 0.681 2.934 33.801 1.00 13.37 C +ATOM 649 CE1 HIS D 10 -0.833 2.143 32.413 1.00 14.67 C +ATOM 650 NE2 HIS D 10 -0.040 1.788 33.438 1.00 13.98 N +ATOM 651 N LEU D 11 2.944 7.694 32.577 1.00 9.86 N +ATOM 652 CA LEU D 11 3.198 9.127 32.376 1.00 10.19 C +ATOM 653 C LEU D 11 3.823 9.428 30.994 1.00 10.82 C +ATOM 654 O LEU D 11 3.466 10.453 30.393 1.00 9.76 O +ATOM 655 CB LEU D 11 4.233 9.635 33.411 1.00 14.15 C +ATOM 656 CG LEU D 11 3.748 9.836 34.841 1.00 16.98 C +ATOM 657 CD1 LEU D 11 4.903 10.392 35.707 1.00 17.20 C +ATOM 658 CD2 LEU D 11 2.571 10.799 34.919 1.00 16.95 C +ATOM 659 N VAL D 12 4.759 8.564 30.590 1.00 8.75 N +ATOM 660 CA VAL D 12 5.387 8.890 29.257 1.00 10.35 C +ATOM 661 C VAL D 12 4.360 8.678 28.141 1.00 10.86 C +ATOM 662 O VAL D 12 4.517 9.430 27.166 1.00 12.15 O +ATOM 663 CB VAL D 12 6.718 8.174 28.976 1.00 11.41 C +ATOM 664 CG1 VAL D 12 7.840 8.710 29.907 1.00 15.38 C +ATOM 665 CG2 VAL D 12 6.675 6.671 29.080 1.00 13.97 C +ATOM 666 N GLU D 13 3.446 7.731 28.226 1.00 12.24 N +ATOM 667 CA GLU D 13 2.416 7.647 27.179 1.00 12.22 C +ATOM 668 C GLU D 13 1.534 8.894 27.196 1.00 12.99 C +ATOM 669 O GLU D 13 1.112 9.473 26.171 1.00 12.17 O +ATOM 670 CB GLU D 13 1.560 6.379 27.340 1.00 16.20 C +ATOM 671 CG GLU D 13 0.486 6.230 26.263 1.00 18.70 C +ATOM 672 CD GLU D 13 0.977 6.315 24.817 0.50 18.60 C +ATOM 673 OE1 GLU D 13 2.018 5.708 24.457 0.50 21.85 O +ATOM 674 OE2 GLU D 13 0.352 6.995 23.976 0.50 17.16 O +ATOM 675 N ALA D 14 1.268 9.401 28.422 1.00 8.85 N +ATOM 676 CA ALA D 14 0.462 10.626 28.521 1.00 10.92 C +ATOM 677 C ALA D 14 1.201 11.803 27.910 1.00 10.21 C +ATOM 678 O ALA D 14 0.609 12.651 27.199 1.00 10.85 O +ATOM 679 CB ALA D 14 0.063 10.925 29.990 1.00 10.45 C +ATOM 680 N LEU D 15 2.490 11.997 28.202 1.00 8.68 N +ATOM 681 CA LEU D 15 3.239 13.093 27.600 1.00 10.20 C +ATOM 682 C LEU D 15 3.376 12.948 26.084 1.00 10.97 C +ATOM 683 O LEU D 15 3.235 13.945 25.373 1.00 10.16 O +ATOM 684 CB LEU D 15 4.675 13.142 28.133 1.00 11.62 C +ATOM 685 CG LEU D 15 4.849 13.563 29.583 1.00 14.63 C +ATOM 686 CD1 LEU D 15 6.355 13.489 29.906 1.00 15.67 C +ATOM 687 CD2 LEU D 15 4.259 14.963 29.819 1.00 13.92 C +ATOM 688 N TYR D 16 3.483 11.708 25.607 1.00 9.48 N +ATOM 689 CA TYR D 16 3.508 11.569 24.148 1.00 9.01 C +ATOM 690 C TYR D 16 2.280 12.159 23.483 1.00 8.92 C +ATOM 691 O TYR D 16 2.399 12.919 22.484 1.00 9.48 O +ATOM 692 CB TYR D 16 3.598 10.072 23.839 1.00 10.42 C +ATOM 693 CG TYR D 16 3.537 9.849 22.345 1.00 10.37 C +ATOM 694 CD1 TYR D 16 4.617 10.197 21.537 1.00 9.17 C +ATOM 695 CD2 TYR D 16 2.406 9.267 21.771 1.00 9.26 C +ATOM 696 CE1 TYR D 16 4.569 9.963 20.169 1.00 12.61 C +ATOM 697 CE2 TYR D 16 2.358 9.034 20.404 1.00 10.34 C +ATOM 698 CZ TYR D 16 3.432 9.377 19.607 1.00 11.19 C +ATOM 699 OH TYR D 16 3.404 9.119 18.250 1.00 13.66 O +ATOM 700 N LEU D 17 1.097 11.845 23.991 1.00 9.06 N +ATOM 701 CA LEU D 17 -0.157 12.424 23.442 1.00 9.53 C +ATOM 702 C LEU D 17 -0.288 13.915 23.679 1.00 11.12 C +ATOM 703 O LEU D 17 -0.680 14.655 22.743 1.00 13.04 O +ATOM 704 CB LEU D 17 -1.341 11.669 24.039 1.00 9.41 C +ATOM 705 CG ALEU D 17 -1.400 10.163 23.739 0.50 10.88 C +ATOM 706 CG BLEU D 17 -2.760 12.110 23.623 0.50 10.57 C +ATOM 707 CD1ALEU D 17 -2.536 9.545 24.542 0.50 10.73 C +ATOM 708 CD1BLEU D 17 -2.957 11.801 22.142 0.50 12.65 C +ATOM 709 CD2ALEU D 17 -1.552 9.937 22.241 0.50 12.06 C +ATOM 710 CD2BLEU D 17 -3.832 11.441 24.482 0.50 12.56 C +ATOM 711 N VAL D 18 -0.004 14.390 24.891 1.00 9.63 N +ATOM 712 CA VAL D 18 -0.214 15.803 25.194 1.00 11.79 C +ATOM 713 C VAL D 18 0.767 16.735 24.440 1.00 11.53 C +ATOM 714 O VAL D 18 0.289 17.749 23.901 1.00 13.58 O +ATOM 715 CB VAL D 18 -0.111 16.063 26.712 1.00 12.59 C +ATOM 716 CG1 VAL D 18 -0.044 17.553 27.021 1.00 14.87 C +ATOM 717 CG2 VAL D 18 -1.363 15.476 27.381 1.00 12.37 C +ATOM 718 N CYS D 19 2.027 16.384 24.365 1.00 11.45 N +ATOM 719 CA CYS D 19 3.064 17.264 23.798 1.00 12.57 C +ATOM 720 C CYS D 19 3.005 17.295 22.265 1.00 14.36 C +ATOM 721 O CYS D 19 3.397 18.323 21.694 1.00 15.05 O +ATOM 722 CB CYS D 19 4.444 16.806 24.251 1.00 12.86 C +ATOM 723 SG CYS D 19 4.560 16.840 26.083 1.00 12.77 S +ATOM 724 N GLY D 20 2.632 16.175 21.685 1.00 15.76 N +ATOM 725 CA GLY D 20 2.488 16.080 20.227 1.00 19.28 C +ATOM 726 C GLY D 20 3.789 16.454 19.521 1.00 19.99 C +ATOM 727 O GLY D 20 4.887 16.001 19.908 1.00 19.37 O +ATOM 728 N GLU D 21 3.658 17.292 18.468 1.00 20.23 N +ATOM 729 CA GLU D 21 4.858 17.658 17.666 1.00 23.74 C +ATOM 730 C GLU D 21 5.999 18.286 18.517 1.00 22.11 C +ATOM 731 O GLU D 21 7.168 18.261 18.156 1.00 22.80 O +ATOM 732 CB GLU D 21 4.423 18.647 16.587 0.00 20.00 C +ATOM 733 CG GLU D 21 3.536 18.004 15.526 0.00 20.00 C +ATOM 734 CD GLU D 21 3.167 19.044 14.497 0.00 20.00 C +ATOM 735 OE1 GLU D 21 3.307 20.224 14.784 0.00 20.00 O +ATOM 736 OE2 GLU D 21 2.737 18.664 13.410 0.00 20.00 O +ATOM 737 N ARG D 22 5.736 18.874 19.676 1.00 22.21 N +ATOM 738 CA ARG D 22 6.715 19.510 20.527 1.00 20.59 C +ATOM 739 C ARG D 22 7.731 18.528 21.146 1.00 20.88 C +ATOM 740 O ARG D 22 8.874 18.879 21.472 1.00 20.08 O +ATOM 741 CB ARG D 22 6.011 20.210 21.708 1.00 23.43 C +ATOM 742 CG ARG D 22 5.096 21.351 21.206 1.00 24.06 C +ATOM 743 CD ARG D 22 4.357 21.884 22.443 1.00 24.47 C +ATOM 744 NE ARG D 22 3.185 21.060 22.732 1.00 24.65 N +ATOM 745 CZ ARG D 22 2.256 21.394 23.624 1.00 25.91 C +ATOM 746 NH1 ARG D 22 2.483 22.507 24.330 1.00 25.95 N +ATOM 747 NH2 ARG D 22 1.192 20.615 23.795 1.00 24.02 N +ATOM 748 N GLY D 23 7.253 17.285 21.330 1.00 17.85 N +ATOM 749 CA GLY D 23 8.140 16.301 21.974 1.00 15.11 C +ATOM 750 C GLY D 23 8.333 16.662 23.447 1.00 14.50 C +ATOM 751 O GLY D 23 7.663 17.531 24.039 1.00 17.29 O +ATOM 752 N PHE D 24 9.302 15.984 24.061 1.00 13.00 N +ATOM 753 CA PHE D 24 9.557 16.187 25.493 1.00 12.67 C +ATOM 754 C PHE D 24 10.804 15.435 25.901 1.00 14.22 C +ATOM 755 O PHE D 24 11.286 14.577 25.179 1.00 14.89 O +ATOM 756 CB PHE D 24 8.371 15.618 26.322 1.00 13.57 C +ATOM 757 CG PHE D 24 8.093 14.132 26.165 1.00 13.66 C +ATOM 758 CD1 PHE D 24 7.235 13.651 25.190 1.00 14.00 C +ATOM 759 CD2 PHE D 24 8.646 13.212 27.049 1.00 13.87 C +ATOM 760 CE1 PHE D 24 6.970 12.276 25.074 1.00 11.67 C +ATOM 761 CE2 PHE D 24 8.409 11.842 26.936 1.00 13.63 C +ATOM 762 CZ PHE D 24 7.585 11.356 25.928 1.00 12.26 C +ATOM 763 N PHE D 25 11.301 15.764 27.089 1.00 15.89 N +ATOM 764 CA PHE D 25 12.411 15.077 27.696 1.00 17.55 C +ATOM 765 C PHE D 25 11.779 14.380 28.905 1.00 17.49 C +ATOM 766 O PHE D 25 10.854 14.952 29.523 1.00 19.93 O +ATOM 767 CB PHE D 25 13.535 16.013 28.166 1.00 20.42 C +ATOM 768 CG PHE D 25 14.426 16.483 27.054 1.00 24.13 C +ATOM 769 CD1 PHE D 25 13.966 17.407 26.122 1.00 26.01 C +ATOM 770 CD2 PHE D 25 15.728 16.004 26.941 1.00 24.38 C +ATOM 771 CE1 PHE D 25 14.790 17.848 25.084 1.00 27.57 C +ATOM 772 CE2 PHE D 25 16.545 16.438 25.913 1.00 25.47 C +ATOM 773 CZ PHE D 25 16.100 17.356 24.979 1.00 27.08 C +ATOM 774 N TYR D 26 12.168 13.149 29.161 1.00 16.68 N +ATOM 775 CA TYR D 26 11.636 12.478 30.330 1.00 19.77 C +ATOM 776 C TYR D 26 12.850 12.228 31.241 1.00 22.02 C +ATOM 777 O TYR D 26 13.756 11.512 30.852 1.00 20.06 O +ATOM 778 CB TYR D 26 10.913 11.161 30.021 1.00 18.95 C +ATOM 779 CG TYR D 26 10.521 10.459 31.321 1.00 21.63 C +ATOM 780 CD1 TYR D 26 9.485 10.982 32.093 1.00 22.44 C +ATOM 781 CD2 TYR D 26 11.173 9.311 31.740 1.00 22.87 C +ATOM 782 CE1 TYR D 26 9.110 10.356 33.279 1.00 25.69 C +ATOM 783 CE2 TYR D 26 10.806 8.681 32.924 1.00 23.89 C +ATOM 784 CZ TYR D 26 9.781 9.212 33.677 1.00 25.35 C +ATOM 785 OH TYR D 26 9.376 8.608 34.857 1.00 29.36 O +ATOM 786 N THR D 27 12.740 12.869 32.407 1.00 26.98 N +ATOM 787 CA THR D 27 13.833 12.694 33.385 1.00 31.08 C +ATOM 788 C THR D 27 13.196 12.289 34.716 1.00 32.25 C +ATOM 789 O THR D 27 12.408 13.015 35.323 1.00 33.48 O +ATOM 790 CB THR D 27 14.728 13.936 33.409 1.00 33.31 C +ATOM 791 OG1 THR D 27 14.117 15.092 32.782 1.00 35.56 O +ATOM 792 CG2 THR D 27 15.994 13.611 32.608 1.00 33.28 C +ATOM 793 N PRO D 28 13.391 11.025 35.073 1.00 33.85 N +ATOM 794 CA PRO D 28 12.787 10.297 36.176 1.00 36.34 C +ATOM 795 C PRO D 28 13.413 10.692 37.509 1.00 39.54 C +ATOM 796 O PRO D 28 14.245 11.586 37.594 1.00 40.82 O +ATOM 797 CB PRO D 28 12.992 8.813 35.927 1.00 34.98 C +ATOM 798 CG PRO D 28 14.181 8.660 34.994 1.00 34.05 C +ATOM 799 CD PRO D 28 14.283 10.124 34.342 1.00 33.77 C +ATOM 800 N LYS D 29 12.953 10.016 38.582 1.00 41.82 N +ATOM 801 CA LYS D 29 13.490 10.321 39.899 1.00 44.42 C +ATOM 802 C LYS D 29 14.565 9.314 40.316 1.00 44.96 C +ATOM 803 O LYS D 29 15.398 9.575 41.174 1.00 46.19 O +ATOM 804 CB LYS D 29 12.332 10.290 40.897 0.00 20.00 C +ATOM 805 CG LYS D 29 11.818 8.877 41.143 0.00 20.00 C +ATOM 806 CD LYS D 29 12.474 8.236 42.356 0.00 20.00 C +ATOM 807 CE LYS D 29 13.270 6.994 41.983 0.00 20.00 C +ATOM 808 NZ LYS D 29 13.619 6.283 43.189 0.00 20.00 N +ATOM 809 OXT LYS D 29 14.641 8.202 39.809 1.00 47.20 O +TER 810 LYS D 29 +ATOM 811 N GLY E 1 17.335 9.341 52.401 1.00 19.16 N +ATOM 812 CA GLY E 1 16.629 9.456 53.726 1.00 19.55 C +ATOM 813 C GLY E 1 16.010 8.061 54.017 1.00 18.18 C +ATOM 814 O GLY E 1 16.035 7.180 53.164 1.00 18.27 O +ATOM 815 N ILE E 2 15.572 7.916 55.278 1.00 14.99 N +ATOM 816 CA ILE E 2 15.017 6.591 55.639 1.00 16.13 C +ATOM 817 C ILE E 2 13.798 6.192 54.807 1.00 14.31 C +ATOM 818 O ILE E 2 13.557 5.008 54.543 1.00 15.20 O +ATOM 819 CB ILE E 2 14.644 6.578 57.143 1.00 13.34 C +ATOM 820 CG1 ILE E 2 14.250 5.140 57.553 1.00 12.53 C +ATOM 821 CG2 ILE E 2 13.525 7.589 57.370 1.00 14.59 C +ATOM 822 CD1 ILE E 2 14.159 4.983 59.088 1.00 15.38 C +ATOM 823 N VAL E 3 13.000 7.166 54.390 1.00 14.77 N +ATOM 824 CA VAL E 3 11.791 6.861 53.606 1.00 17.40 C +ATOM 825 C VAL E 3 12.201 6.369 52.221 1.00 17.82 C +ATOM 826 O VAL E 3 11.777 5.286 51.810 1.00 15.94 O +ATOM 827 CB VAL E 3 10.811 8.050 53.498 1.00 18.16 C +ATOM 828 CG1 VAL E 3 9.755 7.732 52.416 1.00 18.66 C +ATOM 829 CG2 VAL E 3 10.120 8.348 54.820 1.00 18.20 C +ATOM 830 N GLU E 4 13.113 7.113 51.557 1.00 19.05 N +ATOM 831 CA GLU E 4 13.618 6.565 50.287 1.00 20.05 C +ATOM 832 C GLU E 4 14.263 5.192 50.441 1.00 19.28 C +ATOM 833 O GLU E 4 14.118 4.300 49.593 1.00 21.28 O +ATOM 834 CB GLU E 4 14.680 7.515 49.700 1.00 22.70 C +ATOM 835 CG GLU E 4 14.173 8.914 49.413 1.00 27.85 C +ATOM 836 CD GLU E 4 13.709 9.761 50.572 1.00 30.39 C +ATOM 837 OE1 GLU E 4 14.022 9.499 51.763 1.00 29.30 O +ATOM 838 OE2 GLU E 4 12.973 10.741 50.213 1.00 32.83 O +ATOM 839 N GLN E 5 15.082 4.986 51.484 1.00 16.02 N +ATOM 840 CA GLN E 5 15.809 3.732 51.654 1.00 15.92 C +ATOM 841 C GLN E 5 14.949 2.577 52.142 1.00 17.95 C +ATOM 842 O GLN E 5 15.127 1.427 51.710 1.00 17.88 O +ATOM 843 CB GLN E 5 16.984 3.890 52.668 1.00 18.25 C +ATOM 844 CG GLN E 5 17.648 2.553 52.890 1.00 20.38 C +ATOM 845 CD GLN E 5 18.852 2.502 53.815 0.50 20.46 C +ATOM 846 OE1 GLN E 5 19.127 3.414 54.599 0.50 19.67 O +ATOM 847 NE2 GLN E 5 19.568 1.376 53.695 0.50 20.57 N +ATOM 848 N CYS E 6 14.003 2.866 53.070 1.00 15.84 N +ATOM 849 CA CYS E 6 13.288 1.766 53.709 1.00 13.79 C +ATOM 850 C CYS E 6 11.788 1.669 53.424 1.00 12.79 C +ATOM 851 O CYS E 6 11.205 0.694 53.935 1.00 15.22 O +ATOM 852 CB CYS E 6 13.496 1.917 55.238 1.00 14.28 C +ATOM 853 SG CYS E 6 15.264 1.849 55.709 1.00 16.34 S +ATOM 854 N CYS E 7 11.246 2.495 52.529 1.00 12.64 N +ATOM 855 CA CYS E 7 9.874 2.287 52.083 1.00 14.33 C +ATOM 856 C CYS E 7 9.881 1.715 50.644 1.00 15.69 C +ATOM 857 O CYS E 7 8.824 1.322 50.159 1.00 17.24 O +ATOM 858 CB CYS E 7 9.054 3.557 52.122 1.00 14.43 C +ATOM 859 SG CYS E 7 8.786 4.158 53.834 1.00 14.94 S +ATOM 860 N THR E 8 11.075 1.657 50.068 1.00 17.44 N +ATOM 861 CA THR E 8 11.221 1.030 48.742 1.00 21.42 C +ATOM 862 C THR E 8 11.765 -0.379 48.845 1.00 23.65 C +ATOM 863 O THR E 8 11.647 -1.162 47.885 1.00 25.70 O +ATOM 864 CB THR E 8 12.145 1.919 47.878 1.00 19.32 C +ATOM 865 OG1 THR E 8 13.421 1.894 48.505 1.00 20.61 O +ATOM 866 CG2 THR E 8 11.559 3.319 47.848 1.00 19.25 C +ATOM 867 N SER E 9 12.428 -0.723 49.941 1.00 25.31 N +ATOM 868 CA SER E 9 12.897 -2.074 50.226 1.00 26.74 C +ATOM 869 C SER E 9 12.773 -2.326 51.727 1.00 25.80 C +ATOM 870 O SER E 9 12.859 -1.322 52.451 1.00 26.41 O +ATOM 871 CB SER E 9 14.355 -2.328 49.789 1.00 28.82 C +ATOM 872 OG SER E 9 14.419 -2.006 48.406 1.00 31.83 O +ATOM 873 N ILE E 10 12.708 -3.584 52.149 1.00 23.64 N +ATOM 874 CA ILE E 10 12.610 -3.836 53.591 1.00 23.55 C +ATOM 875 C ILE E 10 13.972 -3.686 54.267 1.00 23.21 C +ATOM 876 O ILE E 10 14.899 -4.520 54.104 1.00 25.50 O +ATOM 877 CB ILE E 10 12.047 -5.249 53.887 1.00 24.63 C +ATOM 878 CG1 ILE E 10 10.623 -5.450 53.360 1.00 25.00 C +ATOM 879 CG2 ILE E 10 12.070 -5.499 55.402 1.00 26.08 C +ATOM 880 CD1 ILE E 10 10.111 -6.893 53.410 1.00 23.77 C +ATOM 881 N CYS E 11 14.158 -2.648 55.083 1.00 18.86 N +ATOM 882 CA CYS E 11 15.420 -2.511 55.798 1.00 18.07 C +ATOM 883 C CYS E 11 15.592 -3.516 56.929 1.00 18.19 C +ATOM 884 O CYS E 11 14.646 -3.784 57.673 1.00 18.77 O +ATOM 885 CB CYS E 11 15.490 -1.073 56.384 1.00 17.01 C +ATOM 886 SG CYS E 11 15.890 0.078 55.010 1.00 16.93 S +ATOM 887 N SER E 12 16.807 -4.047 57.065 1.00 18.21 N +ATOM 888 CA SER E 12 17.186 -4.942 58.148 1.00 19.74 C +ATOM 889 C SER E 12 17.343 -4.106 59.435 1.00 20.16 C +ATOM 890 O SER E 12 17.378 -2.855 59.364 1.00 16.83 O +ATOM 891 CB SER E 12 18.524 -5.646 57.861 1.00 19.59 C +ATOM 892 OG SER E 12 19.586 -4.654 57.954 1.00 18.30 O +ATOM 893 N LEU E 13 17.432 -4.805 60.584 1.00 20.20 N +ATOM 894 CA LEU E 13 17.475 -4.021 61.830 1.00 21.34 C +ATOM 895 C LEU E 13 18.832 -3.298 61.884 1.00 19.79 C +ATOM 896 O LEU E 13 18.929 -2.216 62.458 1.00 18.33 O +ATOM 897 CB LEU E 13 17.281 -4.853 63.094 1.00 24.03 C +ATOM 898 CG LEU E 13 16.031 -5.743 63.144 1.00 26.15 C +ATOM 899 CD1 LEU E 13 16.046 -6.596 64.401 1.00 28.56 C +ATOM 900 CD2 LEU E 13 14.743 -4.934 63.039 1.00 26.66 C +ATOM 901 N TYR E 14 19.831 -3.894 61.222 1.00 18.82 N +ATOM 902 CA TYR E 14 21.067 -3.114 61.198 1.00 17.25 C +ATOM 903 C TYR E 14 20.980 -1.930 60.239 1.00 16.70 C +ATOM 904 O TYR E 14 21.466 -0.841 60.512 1.00 17.44 O +ATOM 905 CB TYR E 14 22.210 -4.038 60.782 1.00 20.18 C +ATOM 906 CG TYR E 14 23.334 -3.888 61.738 0.00 20.00 C +ATOM 907 CD1 TYR E 14 24.294 -2.896 61.544 0.00 20.00 C +ATOM 908 CD2 TYR E 14 23.413 -4.716 62.852 0.00 20.00 C +ATOM 909 CE1 TYR E 14 25.318 -2.731 62.453 0.00 20.00 C +ATOM 910 CE2 TYR E 14 24.438 -4.549 63.766 0.00 20.00 C +ATOM 911 CZ TYR E 14 25.393 -3.548 63.563 0.00 20.00 C +ATOM 912 OH TYR E 14 26.415 -3.382 64.481 0.00 20.00 O +ATOM 913 N GLN E 15 20.304 -1.966 59.096 1.00 16.58 N +ATOM 914 CA GLN E 15 20.107 -0.749 58.317 1.00 16.63 C +ATOM 915 C GLN E 15 19.305 0.303 59.076 1.00 16.39 C +ATOM 916 O GLN E 15 19.572 1.489 58.963 1.00 15.24 O +ATOM 917 CB GLN E 15 19.402 -1.045 56.971 1.00 16.29 C +ATOM 918 CG GLN E 15 20.305 -1.990 56.156 1.00 21.97 C +ATOM 919 CD GLN E 15 19.684 -2.472 54.856 1.00 24.33 C +ATOM 920 OE1 GLN E 15 20.317 -2.296 53.791 1.00 29.18 O +ATOM 921 NE2 GLN E 15 18.540 -3.156 54.878 1.00 22.97 N +ATOM 922 N LEU E 16 18.275 -0.112 59.826 1.00 15.42 N +ATOM 923 CA LEU E 16 17.475 0.830 60.600 1.00 15.27 C +ATOM 924 C LEU E 16 18.323 1.591 61.621 1.00 16.09 C +ATOM 925 O LEU E 16 18.046 2.748 61.979 1.00 13.41 O +ATOM 926 CB LEU E 16 16.325 0.134 61.354 1.00 14.31 C +ATOM 927 CG LEU E 16 15.221 -0.425 60.454 1.00 16.98 C +ATOM 928 CD1 LEU E 16 14.293 -1.362 61.252 1.00 15.54 C +ATOM 929 CD2 LEU E 16 14.456 0.722 59.799 1.00 18.49 C +ATOM 930 N GLU E 17 19.301 0.863 62.168 1.00 17.32 N +ATOM 931 CA GLU E 17 20.207 1.430 63.163 1.00 17.43 C +ATOM 932 C GLU E 17 20.952 2.666 62.647 1.00 15.96 C +ATOM 933 O GLU E 17 21.364 3.483 63.485 1.00 13.76 O +ATOM 934 CB GLU E 17 21.217 0.368 63.631 1.00 21.35 C +ATOM 935 CG GLU E 17 21.094 0.087 65.116 1.00 26.20 C +ATOM 936 CD GLU E 17 22.292 -0.678 65.665 1.00 27.74 C +ATOM 937 OE1 GLU E 17 22.483 -1.830 65.233 1.00 29.30 O +ATOM 938 OE2 GLU E 17 23.020 -0.110 66.511 1.00 29.96 O +ATOM 939 N ASN E 18 21.058 2.849 61.323 1.00 15.29 N +ATOM 940 CA ASN E 18 21.676 4.099 60.839 1.00 17.87 C +ATOM 941 C ASN E 18 20.860 5.329 61.210 1.00 16.18 C +ATOM 942 O ASN E 18 21.362 6.466 61.046 1.00 16.14 O +ATOM 943 CB ASN E 18 21.873 4.036 59.309 1.00 20.28 C +ATOM 944 CG ASN E 18 22.941 2.994 58.979 1.00 21.33 C +ATOM 945 OD1 ASN E 18 23.927 2.837 59.714 1.00 24.41 O +ATOM 946 ND2 ASN E 18 22.821 2.244 57.903 1.00 22.97 N +ATOM 947 N TYR E 19 19.591 5.162 61.623 1.00 15.49 N +ATOM 948 CA TYR E 19 18.754 6.328 61.951 1.00 13.86 C +ATOM 949 C TYR E 19 18.586 6.524 63.463 1.00 14.68 C +ATOM 950 O TYR E 19 17.761 7.339 63.926 1.00 15.27 O +ATOM 951 CB TYR E 19 17.420 6.253 61.185 1.00 14.63 C +ATOM 952 CG TYR E 19 17.693 6.112 59.689 1.00 14.14 C +ATOM 953 CD1 TYR E 19 17.972 7.276 58.945 1.00 16.11 C +ATOM 954 CD2 TYR E 19 17.703 4.886 59.042 1.00 14.85 C +ATOM 955 CE1 TYR E 19 18.272 7.177 57.599 1.00 14.99 C +ATOM 956 CE2 TYR E 19 17.971 4.799 57.683 1.00 15.11 C +ATOM 957 CZ TYR E 19 18.243 5.956 56.983 1.00 16.84 C +ATOM 958 OH TYR E 19 18.507 5.885 55.611 1.00 19.92 O +ATOM 959 N CYS E 20 19.368 5.827 64.254 1.00 12.97 N +ATOM 960 CA CYS E 20 19.384 6.020 65.706 1.00 14.92 C +ATOM 961 C CYS E 20 20.239 7.271 65.996 1.00 16.02 C +ATOM 962 O CYS E 20 21.074 7.642 65.171 1.00 17.16 O +ATOM 963 CB CYS E 20 19.987 4.832 66.453 1.00 14.11 C +ATOM 964 SG CYS E 20 19.102 3.264 66.239 1.00 15.25 S +ATOM 965 N ASN E 21 20.030 7.886 67.131 1.00 15.70 N +ATOM 966 CA ASN E 21 20.879 9.005 67.589 1.00 19.87 C +ATOM 967 C ASN E 21 22.168 8.479 68.213 1.00 20.92 C +ATOM 968 O ASN E 21 22.373 7.272 68.441 1.00 21.04 O +ATOM 969 CB ASN E 21 20.185 9.849 68.645 1.00 19.85 C +ATOM 970 CG ASN E 21 18.912 10.563 68.227 1.00 23.39 C +ATOM 971 OD1 ASN E 21 18.781 10.987 67.076 1.00 24.25 O +ATOM 972 ND2 ASN E 21 17.958 10.718 69.160 1.00 23.26 N +ATOM 973 OXT ASN E 21 23.050 9.364 68.401 1.00 24.40 O +TER 974 ASN E 21 +ATOM 975 N PHE F 1 1.175 11.882 49.858 1.00 28.70 N +ATOM 976 CA PHE F 1 1.182 10.446 49.424 1.00 27.98 C +ATOM 977 C PHE F 1 0.888 9.560 50.640 1.00 25.95 C +ATOM 978 O PHE F 1 1.733 9.341 51.537 1.00 23.06 O +ATOM 979 CB PHE F 1 2.494 10.067 48.736 1.00 29.83 C +ATOM 980 CG PHE F 1 2.429 8.760 47.979 1.00 30.98 C +ATOM 981 CD1 PHE F 1 1.301 8.421 47.232 1.00 31.29 C +ATOM 982 CD2 PHE F 1 3.498 7.876 48.017 1.00 31.64 C +ATOM 983 CE1 PHE F 1 1.262 7.210 46.548 1.00 31.99 C +ATOM 984 CE2 PHE F 1 3.462 6.666 47.337 1.00 31.26 C +ATOM 985 CZ PHE F 1 2.333 6.329 46.595 1.00 31.85 C +ATOM 986 N VAL F 2 -0.393 9.164 50.683 1.00 23.03 N +ATOM 987 CA VAL F 2 -0.833 8.293 51.787 1.00 19.60 C +ATOM 988 C VAL F 2 0.040 7.059 52.005 1.00 18.52 C +ATOM 989 O VAL F 2 0.350 6.697 53.169 1.00 12.88 O +ATOM 990 CB VAL F 2 -2.288 7.855 51.511 1.00 21.65 C +ATOM 991 CG1 VAL F 2 -2.662 6.648 52.365 1.00 19.90 C +ATOM 992 CG2 VAL F 2 -3.273 9.024 51.725 1.00 20.66 C +ATOM 993 N ASN F 3 0.474 6.374 50.939 1.00 17.60 N +ATOM 994 CA ASN F 3 1.287 5.161 51.156 1.00 19.51 C +ATOM 995 C ASN F 3 2.587 5.424 51.931 1.00 15.98 C +ATOM 996 O ASN F 3 2.997 4.603 52.787 1.00 13.09 O +ATOM 997 CB ASN F 3 1.582 4.477 49.818 1.00 24.24 C +ATOM 998 CG ASN F 3 0.418 4.339 48.856 1.00 29.73 C +ATOM 999 OD1 ASN F 3 -0.344 5.265 48.512 1.00 30.09 O +ATOM 1000 ND2 ASN F 3 0.276 3.088 48.366 1.00 31.94 N +ATOM 1001 N GLN F 4 3.234 6.558 51.707 1.00 15.00 N +ATOM 1002 CA GLN F 4 4.451 6.935 52.412 1.00 16.19 C +ATOM 1003 C GLN F 4 4.079 7.208 53.881 1.00 15.73 C +ATOM 1004 O GLN F 4 4.802 6.834 54.807 1.00 16.71 O +ATOM 1005 CB GLN F 4 5.186 8.155 51.801 1.00 18.57 C +ATOM 1006 CG GLN F 4 6.236 8.657 52.806 1.00 21.93 C +ATOM 1007 CD GLN F 4 6.937 9.959 52.455 0.50 23.29 C +ATOM 1008 OE1 GLN F 4 7.338 10.696 53.379 0.50 24.34 O +ATOM 1009 NE2 GLN F 4 7.051 10.259 51.160 0.50 22.63 N +ATOM 1010 N HIS F 5 2.916 7.845 54.058 1.00 14.70 N +ATOM 1011 CA HIS F 5 2.462 8.168 55.420 1.00 13.41 C +ATOM 1012 C HIS F 5 2.230 6.881 56.196 1.00 13.28 C +ATOM 1013 O HIS F 5 2.751 6.808 57.321 1.00 14.83 O +ATOM 1014 CB HIS F 5 1.194 9.046 55.360 1.00 15.28 C +ATOM 1015 CG HIS F 5 0.743 9.363 56.771 1.00 19.37 C +ATOM 1016 ND1 HIS F 5 1.312 10.418 57.451 1.00 20.75 N +ATOM 1017 CD2 HIS F 5 -0.099 8.720 57.615 1.00 20.92 C +ATOM 1018 CE1 HIS F 5 0.786 10.440 58.676 1.00 22.19 C +ATOM 1019 NE2 HIS F 5 -0.079 9.433 58.802 1.00 23.47 N +ATOM 1020 N LEU F 6 1.695 5.809 55.618 1.00 12.42 N +ATOM 1021 CA LEU F 6 1.545 4.527 56.294 1.00 11.25 C +ATOM 1022 C LEU F 6 2.902 3.860 56.571 1.00 13.83 C +ATOM 1023 O LEU F 6 3.118 3.326 57.681 1.00 14.35 O +ATOM 1024 CB LEU F 6 0.632 3.564 55.517 1.00 12.24 C +ATOM 1025 CG LEU F 6 -0.778 4.123 55.195 1.00 15.44 C +ATOM 1026 CD1 LEU F 6 -1.700 2.989 54.680 1.00 16.14 C +ATOM 1027 CD2 LEU F 6 -1.429 4.821 56.363 1.00 13.43 C +ATOM 1028 N CYS F 7 3.803 3.886 55.583 1.00 11.23 N +ATOM 1029 CA CYS F 7 5.120 3.289 55.791 1.00 11.76 C +ATOM 1030 C CYS F 7 5.829 3.959 56.966 1.00 10.94 C +ATOM 1031 O CYS F 7 6.445 3.315 57.816 1.00 10.38 O +ATOM 1032 CB CYS F 7 5.963 3.484 54.509 1.00 13.36 C +ATOM 1033 SG CYS F 7 7.613 2.692 54.616 1.00 14.17 S +ATOM 1034 N GLY F 8 5.780 5.296 56.963 1.00 10.59 N +ATOM 1035 CA GLY F 8 6.538 6.072 57.974 1.00 10.66 C +ATOM 1036 C GLY F 8 5.971 5.703 59.365 1.00 11.85 C +ATOM 1037 O GLY F 8 6.799 5.680 60.302 1.00 11.48 O +ATOM 1038 N SER F 9 4.665 5.451 59.477 1.00 10.35 N +ATOM 1039 CA SER F 9 4.159 5.063 60.834 1.00 11.74 C +ATOM 1040 C SER F 9 4.855 3.815 61.365 1.00 13.40 C +ATOM 1041 O SER F 9 5.315 3.690 62.539 1.00 12.84 O +ATOM 1042 CB SER F 9 2.633 4.910 60.752 1.00 15.28 C +ATOM 1043 OG SER F 9 2.124 4.106 61.836 1.00 19.37 O +ATOM 1044 N HIS F 10 5.063 2.797 60.504 1.00 7.61 N +ATOM 1045 CA HIS F 10 5.729 1.560 60.854 1.00 9.46 C +ATOM 1046 C HIS F 10 7.229 1.785 61.074 1.00 10.01 C +ATOM 1047 O HIS F 10 7.844 1.069 61.883 1.00 10.08 O +ATOM 1048 CB HIS F 10 5.445 0.510 59.767 1.00 9.75 C +ATOM 1049 CG HIS F 10 3.994 0.081 59.740 1.00 12.15 C +ATOM 1050 ND1 HIS F 10 3.472 -0.898 60.552 1.00 15.23 N +ATOM 1051 CD2 HIS F 10 2.966 0.542 59.008 1.00 12.75 C +ATOM 1052 CE1 HIS F 10 2.162 -1.041 60.317 1.00 15.40 C +ATOM 1053 NE2 HIS F 10 1.843 -0.174 59.346 1.00 14.25 N +ATOM 1054 N LEU F 11 7.843 2.646 60.229 1.00 10.02 N +ATOM 1055 CA LEU F 11 9.274 2.895 60.404 1.00 10.63 C +ATOM 1056 C LEU F 11 9.581 3.478 61.794 1.00 10.07 C +ATOM 1057 O LEU F 11 10.575 3.031 62.410 1.00 10.97 O +ATOM 1058 CB LEU F 11 9.735 3.954 59.394 1.00 11.15 C +ATOM 1059 CG LEU F 11 9.987 3.371 57.998 1.00 12.33 C +ATOM 1060 CD1 LEU F 11 10.347 4.553 57.089 1.00 13.12 C +ATOM 1061 CD2 LEU F 11 11.117 2.364 58.056 1.00 14.55 C +ATOM 1062 N VAL F 12 8.724 4.384 62.225 1.00 9.94 N +ATOM 1063 CA VAL F 12 8.935 5.019 63.560 1.00 12.61 C +ATOM 1064 C VAL F 12 8.760 4.029 64.700 1.00 12.38 C +ATOM 1065 O VAL F 12 9.581 4.081 65.653 1.00 12.23 O +ATOM 1066 CB VAL F 12 8.018 6.262 63.664 1.00 16.11 C +ATOM 1067 CG1 VAL F 12 7.843 6.684 65.106 1.00 18.75 C +ATOM 1068 CG2 VAL F 12 8.627 7.409 62.838 1.00 13.49 C +ATOM 1069 N GLU F 13 7.859 3.058 64.591 1.00 12.57 N +ATOM 1070 CA GLU F 13 7.686 1.990 65.602 1.00 13.49 C +ATOM 1071 C GLU F 13 8.935 1.092 65.576 1.00 14.09 C +ATOM 1072 O GLU F 13 9.470 0.707 66.623 1.00 11.76 O +ATOM 1073 CB GLU F 13 6.440 1.139 65.443 1.00 16.36 C +ATOM 1074 CG GLU F 13 6.361 -0.044 66.420 1.00 19.63 C +ATOM 1075 CD GLU F 13 6.292 0.431 67.875 0.50 19.02 C +ATOM 1076 OE1 GLU F 13 5.272 1.128 68.109 0.50 22.08 O +ATOM 1077 OE2 GLU F 13 7.159 0.159 68.735 0.50 16.43 O +ATOM 1078 N ALA F 14 9.427 0.792 64.363 1.00 10.92 N +ATOM 1079 CA ALA F 14 10.673 -0.020 64.289 1.00 11.58 C +ATOM 1080 C ALA F 14 11.863 0.714 64.884 1.00 10.64 C +ATOM 1081 O ALA F 14 12.681 0.078 65.613 1.00 12.42 O +ATOM 1082 CB ALA F 14 10.935 -0.450 62.858 1.00 10.81 C +ATOM 1083 N LEU F 15 12.088 1.983 64.558 1.00 10.13 N +ATOM 1084 CA LEU F 15 13.201 2.739 65.147 1.00 10.02 C +ATOM 1085 C LEU F 15 13.092 2.804 66.687 1.00 10.88 C +ATOM 1086 O LEU F 15 14.142 2.659 67.344 1.00 13.69 O +ATOM 1087 CB LEU F 15 13.259 4.183 64.626 1.00 9.67 C +ATOM 1088 CG LEU F 15 13.556 4.285 63.119 1.00 11.95 C +ATOM 1089 CD1 LEU F 15 13.353 5.717 62.667 1.00 12.08 C +ATOM 1090 CD2 LEU F 15 14.991 3.749 62.838 1.00 11.24 C +ATOM 1091 N TYR F 16 11.858 2.984 67.152 1.00 9.69 N +ATOM 1092 CA TYR F 16 11.717 3.017 68.639 1.00 11.14 C +ATOM 1093 C TYR F 16 12.309 1.758 69.261 1.00 10.80 C +ATOM 1094 O TYR F 16 13.026 1.846 70.301 1.00 8.54 O +ATOM 1095 CB TYR F 16 10.246 3.240 68.978 1.00 11.04 C +ATOM 1096 CG TYR F 16 9.968 3.134 70.477 1.00 11.09 C +ATOM 1097 CD1 TYR F 16 10.284 4.229 71.273 1.00 12.10 C +ATOM 1098 CD2 TYR F 16 9.400 1.998 71.027 1.00 11.64 C +ATOM 1099 CE1 TYR F 16 10.045 4.167 72.639 1.00 13.07 C +ATOM 1100 CE2 TYR F 16 9.150 1.943 72.403 1.00 13.79 C +ATOM 1101 CZ TYR F 16 9.449 3.051 73.179 1.00 13.22 C +ATOM 1102 OH TYR F 16 9.222 3.053 74.539 1.00 14.88 O +ATOM 1103 N LEU F 17 11.964 0.582 68.752 1.00 10.88 N +ATOM 1104 CA LEU F 17 12.429 -0.697 69.303 1.00 13.78 C +ATOM 1105 C LEU F 17 13.922 -0.906 69.068 1.00 14.31 C +ATOM 1106 O LEU F 17 14.692 -1.270 69.981 1.00 13.68 O +ATOM 1107 CB LEU F 17 11.629 -1.869 68.689 1.00 12.64 C +ATOM 1108 CG ALEU F 17 11.896 -3.286 69.237 0.50 13.67 C +ATOM 1109 CG BLEU F 17 10.177 -1.938 69.193 0.50 12.04 C +ATOM 1110 CD1ALEU F 17 11.571 -3.345 70.723 0.50 14.16 C +ATOM 1111 CD1BLEU F 17 9.481 -3.201 68.679 0.50 12.76 C +ATOM 1112 CD2ALEU F 17 11.106 -4.343 68.478 0.50 14.48 C +ATOM 1113 CD2BLEU F 17 10.107 -1.886 70.717 0.50 13.05 C +ATOM 1114 N VAL F 18 14.368 -0.671 67.833 1.00 13.17 N +ATOM 1115 CA VAL F 18 15.775 -0.886 67.489 1.00 13.16 C +ATOM 1116 C VAL F 18 16.729 0.010 68.271 1.00 12.60 C +ATOM 1117 O VAL F 18 17.807 -0.441 68.724 1.00 11.64 O +ATOM 1118 CB VAL F 18 16.009 -0.678 65.974 1.00 14.47 C +ATOM 1119 CG1 VAL F 18 17.502 -0.631 65.608 1.00 18.24 C +ATOM 1120 CG2 VAL F 18 15.383 -1.833 65.196 1.00 16.06 C +ATOM 1121 N CYS F 19 16.413 1.282 68.401 1.00 11.01 N +ATOM 1122 CA CYS F 19 17.325 2.283 68.936 1.00 12.70 C +ATOM 1123 C CYS F 19 17.379 2.371 70.466 1.00 15.40 C +ATOM 1124 O CYS F 19 18.363 2.949 70.943 1.00 18.24 O +ATOM 1125 CB CYS F 19 16.964 3.684 68.397 1.00 11.43 C +ATOM 1126 SG CYS F 19 17.162 3.720 66.570 1.00 13.84 S +ATOM 1127 N GLY F 20 16.387 1.844 71.133 1.00 16.89 N +ATOM 1128 CA GLY F 20 16.417 1.872 72.616 1.00 18.21 C +ATOM 1129 C GLY F 20 16.749 3.271 73.121 1.00 18.37 C +ATOM 1130 O GLY F 20 16.143 4.291 72.720 1.00 15.48 O +ATOM 1131 N GLU F 21 17.557 3.279 74.219 1.00 18.68 N +ATOM 1132 CA GLU F 21 17.863 4.557 74.873 1.00 20.83 C +ATOM 1133 C GLU F 21 18.542 5.613 74.044 1.00 20.93 C +ATOM 1134 O GLU F 21 18.513 6.790 74.435 1.00 21.98 O +ATOM 1135 CB GLU F 21 18.777 4.233 76.111 1.00 22.95 C +ATOM 1136 CG GLU F 21 17.833 3.594 77.145 1.00 24.36 C +ATOM 1137 CD GLU F 21 18.496 3.497 78.515 0.50 24.54 C +ATOM 1138 OE1 GLU F 21 19.720 3.736 78.622 0.50 24.48 O +ATOM 1139 OE2 GLU F 21 17.740 3.169 79.452 0.50 25.19 O +ATOM 1140 N ARG F 22 19.161 5.315 72.903 1.00 20.67 N +ATOM 1141 CA ARG F 22 19.751 6.351 72.052 1.00 21.14 C +ATOM 1142 C ARG F 22 18.643 7.246 71.478 1.00 21.38 C +ATOM 1143 O ARG F 22 18.870 8.420 71.185 1.00 19.91 O +ATOM 1144 CB ARG F 22 20.563 5.746 70.900 1.00 22.63 C +ATOM 1145 CG ARG F 22 21.542 4.642 71.332 1.00 23.72 C +ATOM 1146 CD ARG F 22 22.090 3.891 70.113 1.00 24.20 C +ATOM 1147 NE ARG F 22 21.348 2.623 69.942 1.00 25.95 N +ATOM 1148 CZ ARG F 22 21.593 1.852 68.868 1.00 26.47 C +ATOM 1149 NH1 ARG F 22 22.472 2.350 67.997 1.00 26.03 N +ATOM 1150 NH2 ARG F 22 20.957 0.698 68.701 1.00 25.31 N +ATOM 1151 N GLY F 23 17.488 6.611 71.243 1.00 19.70 N +ATOM 1152 CA GLY F 23 16.414 7.371 70.562 1.00 17.61 C +ATOM 1153 C GLY F 23 16.847 7.464 69.086 1.00 16.54 C +ATOM 1154 O GLY F 23 17.884 6.924 68.669 1.00 15.23 O +ATOM 1155 N PHE F 24 16.032 8.168 68.325 1.00 16.91 N +ATOM 1156 CA PHE F 24 16.315 8.294 66.888 1.00 15.87 C +ATOM 1157 C PHE F 24 15.852 9.606 66.311 1.00 17.99 C +ATOM 1158 O PHE F 24 15.217 10.474 66.953 1.00 17.02 O +ATOM 1159 CB PHE F 24 15.540 7.112 66.264 1.00 16.09 C +ATOM 1160 CG PHE F 24 14.046 7.169 66.492 1.00 15.15 C +ATOM 1161 CD1 PHE F 24 13.215 7.881 65.615 1.00 15.33 C +ATOM 1162 CD2 PHE F 24 13.447 6.481 67.534 1.00 14.42 C +ATOM 1163 CE1 PHE F 24 11.838 7.901 65.847 1.00 14.52 C +ATOM 1164 CE2 PHE F 24 12.072 6.520 67.751 1.00 13.51 C +ATOM 1165 CZ PHE F 24 11.245 7.230 66.906 1.00 13.88 C +ATOM 1166 N PHE F 25 16.083 9.730 64.989 1.00 16.30 N +ATOM 1167 CA PHE F 25 15.531 10.899 64.307 1.00 16.98 C +ATOM 1168 C PHE F 25 14.727 10.413 63.098 1.00 17.61 C +ATOM 1169 O PHE F 25 15.092 9.463 62.368 1.00 17.29 O +ATOM 1170 CB PHE F 25 16.644 11.874 63.924 1.00 17.73 C +ATOM 1171 CG PHE F 25 17.684 11.178 63.054 1.00 18.64 C +ATOM 1172 CD1 PHE F 25 18.710 10.447 63.621 1.00 18.25 C +ATOM 1173 CD2 PHE F 25 17.571 11.301 61.672 1.00 18.65 C +ATOM 1174 CE1 PHE F 25 19.646 9.824 62.789 1.00 20.03 C +ATOM 1175 CE2 PHE F 25 18.507 10.673 60.858 1.00 18.72 C +ATOM 1176 CZ PHE F 25 19.535 9.941 61.417 1.00 19.09 C +ATOM 1177 N TYR F 26 13.595 11.097 62.939 1.00 15.70 N +ATOM 1178 CA TYR F 26 12.729 10.825 61.805 1.00 17.85 C +ATOM 1179 C TYR F 26 12.480 12.102 61.006 1.00 20.03 C +ATOM 1180 O TYR F 26 12.036 13.127 61.556 1.00 17.09 O +ATOM 1181 CB TYR F 26 11.377 10.266 62.318 1.00 19.02 C +ATOM 1182 CG TYR F 26 10.573 9.943 61.051 1.00 19.22 C +ATOM 1183 CD1 TYR F 26 10.888 8.757 60.394 1.00 19.77 C +ATOM 1184 CD2 TYR F 26 9.601 10.785 60.556 1.00 17.31 C +ATOM 1185 CE1 TYR F 26 10.186 8.410 59.243 1.00 21.15 C +ATOM 1186 CE2 TYR F 26 8.903 10.435 59.397 1.00 19.77 C +ATOM 1187 CZ TYR F 26 9.217 9.251 58.757 1.00 20.16 C +ATOM 1188 OH TYR F 26 8.541 8.864 57.604 1.00 23.69 O +ATOM 1189 N THR F 27 12.830 12.064 59.715 1.00 21.01 N +ATOM 1190 CA THR F 27 12.423 13.198 58.848 1.00 24.53 C +ATOM 1191 C THR F 27 11.870 12.592 57.557 1.00 24.83 C +ATOM 1192 O THR F 27 12.528 11.745 56.957 1.00 24.15 O +ATOM 1193 CB THR F 27 13.579 14.177 58.600 1.00 27.41 C +ATOM 1194 OG1 THR F 27 13.934 14.829 59.832 1.00 29.49 O +ATOM 1195 CG2 THR F 27 13.201 15.266 57.593 1.00 28.35 C +ATOM 1196 N PRO F 28 10.660 12.947 57.170 1.00 27.53 N +ATOM 1197 CA PRO F 28 9.925 12.478 56.015 1.00 29.03 C +ATOM 1198 C PRO F 28 10.504 13.037 54.732 1.00 30.38 C +ATOM 1199 O PRO F 28 11.219 14.031 54.719 1.00 29.66 O +ATOM 1200 CB PRO F 28 8.469 12.911 56.154 1.00 28.95 C +ATOM 1201 CG PRO F 28 8.337 13.785 57.387 1.00 28.96 C +ATOM 1202 CD PRO F 28 9.861 13.956 57.851 1.00 27.51 C +ATOM 1203 N LYS F 29 10.198 12.334 53.628 1.00 33.12 N +ATOM 1204 CA LYS F 29 10.714 12.838 52.348 1.00 35.96 C +ATOM 1205 C LYS F 29 10.077 14.179 51.963 1.00 38.15 C +ATOM 1206 O LYS F 29 9.659 14.965 52.801 0.00 20.00 O +ATOM 1207 CB LYS F 29 10.419 11.798 51.267 0.00 20.00 C +ATOM 1208 CG LYS F 29 9.985 12.440 49.948 0.00 20.00 C +ATOM 1209 CD LYS F 29 11.011 12.234 48.844 0.00 20.00 C +ATOM 1210 CE LYS F 29 11.311 13.518 48.094 0.00 20.00 C +ATOM 1211 NZ LYS F 29 11.869 13.184 46.790 0.00 20.00 N +ATOM 1212 OXT LYS F 29 9.955 14.531 50.799 1.00 41.27 O +TER 1213 LYS F 29 +ATOM 1214 N GLY G 1 12.506 15.301 80.111 1.00 22.75 N +ATOM 1215 CA GLY G 1 12.215 15.090 78.642 1.00 21.69 C +ATOM 1216 C GLY G 1 10.802 14.568 78.424 1.00 19.53 C +ATOM 1217 O GLY G 1 9.927 14.573 79.310 1.00 18.89 O +ATOM 1218 N ILE G 2 10.554 14.154 77.166 1.00 15.69 N +ATOM 1219 CA ILE G 2 9.211 13.746 76.792 1.00 14.02 C +ATOM 1220 C ILE G 2 8.687 12.581 77.612 1.00 14.50 C +ATOM 1221 O ILE G 2 7.465 12.572 77.860 1.00 14.09 O +ATOM 1222 CB ILE G 2 9.200 13.468 75.251 1.00 13.63 C +ATOM 1223 CG1 ILE G 2 7.750 13.529 74.751 1.00 13.98 C +ATOM 1224 CG2 ILE G 2 9.935 12.152 74.964 1.00 15.56 C +ATOM 1225 CD1 ILE G 2 7.611 13.292 73.234 1.00 16.07 C +ATOM 1226 N VAL G 3 9.545 11.613 77.982 1.00 14.66 N +ATOM 1227 CA VAL G 3 9.012 10.463 78.746 1.00 16.13 C +ATOM 1228 C VAL G 3 8.582 10.910 80.153 1.00 16.53 C +ATOM 1229 O VAL G 3 7.422 10.626 80.534 1.00 17.43 O +ATOM 1230 CB VAL G 3 10.040 9.330 78.812 1.00 18.10 C +ATOM 1231 CG1 VAL G 3 9.491 8.193 79.681 1.00 17.72 C +ATOM 1232 CG2 VAL G 3 10.369 8.819 77.400 1.00 18.54 C +ATOM 1233 N GLU G 4 9.398 11.727 80.806 1.00 15.79 N +ATOM 1234 CA GLU G 4 8.904 12.133 82.130 1.00 17.57 C +ATOM 1235 C GLU G 4 7.725 13.116 82.040 1.00 18.20 C +ATOM 1236 O GLU G 4 6.782 13.059 82.819 1.00 20.13 O +ATOM 1237 CB GLU G 4 10.061 12.781 82.904 1.00 20.65 C +ATOM 1238 CG GLU G 4 9.609 13.347 84.259 0.00 20.00 C +ATOM 1239 CD GLU G 4 10.726 14.184 84.867 0.00 20.00 C +ATOM 1240 OE1 GLU G 4 11.786 14.282 84.263 0.00 20.00 O +ATOM 1241 OE2 GLU G 4 10.522 14.732 85.959 0.00 20.00 O +ATOM 1242 N GLN G 5 7.612 13.986 81.028 1.00 14.99 N +ATOM 1243 CA GLN G 5 6.443 14.858 80.901 1.00 15.30 C +ATOM 1244 C GLN G 5 5.197 14.089 80.466 1.00 15.37 C +ATOM 1245 O GLN G 5 4.107 14.213 81.055 1.00 15.35 O +ATOM 1246 CB GLN G 5 6.681 16.005 79.887 1.00 18.25 C +ATOM 1247 CG GLN G 5 5.354 16.758 79.693 1.00 21.82 C +ATOM 1248 CD GLN G 5 5.332 17.939 78.744 1.00 24.19 C +ATOM 1249 OE1 GLN G 5 4.340 18.712 78.769 1.00 26.15 O +ATOM 1250 NE2 GLN G 5 6.343 18.137 77.909 1.00 23.02 N +ATOM 1251 N CYS G 6 5.325 13.303 79.366 1.00 13.86 N +ATOM 1252 CA CYS G 6 4.125 12.709 78.774 1.00 13.45 C +ATOM 1253 C CYS G 6 3.853 11.244 79.104 1.00 11.91 C +ATOM 1254 O CYS G 6 2.827 10.740 78.628 1.00 13.80 O +ATOM 1255 CB CYS G 6 4.200 12.859 77.223 1.00 13.87 C +ATOM 1256 SG CYS G 6 4.399 14.637 76.785 1.00 14.41 S +ATOM 1257 N CYS G 7 4.635 10.600 79.990 1.00 11.00 N +ATOM 1258 CA CYS G 7 4.130 9.307 80.486 1.00 12.08 C +ATOM 1259 C CYS G 7 3.628 9.377 81.939 1.00 14.15 C +ATOM 1260 O CYS G 7 3.100 8.421 82.484 1.00 13.70 O +ATOM 1261 CB CYS G 7 5.253 8.278 80.378 1.00 12.28 C +ATOM 1262 SG CYS G 7 5.587 7.807 78.668 1.00 15.04 S +ATOM 1263 N THR G 8 3.863 10.536 82.581 1.00 15.04 N +ATOM 1264 CA THR G 8 3.326 10.734 83.925 1.00 18.03 C +ATOM 1265 C THR G 8 2.008 11.489 83.869 1.00 18.34 C +ATOM 1266 O THR G 8 1.202 11.487 84.788 1.00 17.74 O +ATOM 1267 CB THR G 8 4.343 11.530 84.742 1.00 18.48 C +ATOM 1268 OG1 THR G 8 4.620 12.759 84.070 1.00 21.17 O +ATOM 1269 CG2 THR G 8 5.644 10.737 84.873 1.00 20.21 C +ATOM 1270 N SER G 9 1.830 12.189 82.746 1.00 15.53 N +ATOM 1271 CA SER G 9 0.575 12.865 82.495 1.00 16.76 C +ATOM 1272 C SER G 9 0.277 12.878 81.000 1.00 15.00 C +ATOM 1273 O SER G 9 1.169 12.903 80.159 1.00 14.57 O +ATOM 1274 CB SER G 9 0.694 14.300 83.020 1.00 19.65 C +ATOM 1275 OG SER G 9 -0.612 14.842 83.225 1.00 23.85 O +ATOM 1276 N ILE G 10 -1.018 12.797 80.669 1.00 15.41 N +ATOM 1277 CA ILE G 10 -1.392 12.845 79.262 1.00 14.31 C +ATOM 1278 C ILE G 10 -0.994 14.172 78.629 1.00 15.17 C +ATOM 1279 O ILE G 10 -1.369 15.247 79.083 1.00 16.46 O +ATOM 1280 CB ILE G 10 -2.902 12.646 79.156 1.00 16.55 C +ATOM 1281 CG1 ILE G 10 -3.294 11.282 79.717 1.00 15.32 C +ATOM 1282 CG2 ILE G 10 -3.331 12.688 77.677 1.00 18.05 C +ATOM 1283 CD1 ILE G 10 -4.803 11.034 79.635 1.00 16.08 C +ATOM 1284 N CYS G 11 -0.320 14.058 77.477 1.00 12.77 N +ATOM 1285 CA CYS G 11 0.047 15.287 76.756 1.00 12.85 C +ATOM 1286 C CYS G 11 -0.905 15.459 75.574 1.00 14.02 C +ATOM 1287 O CYS G 11 -1.136 14.451 74.893 1.00 14.14 O +ATOM 1288 CB CYS G 11 1.473 15.172 76.210 1.00 12.56 C +ATOM 1289 SG CYS G 11 2.735 15.473 77.468 1.00 14.84 S +ATOM 1290 N SER G 12 -1.407 16.682 75.407 1.00 13.44 N +ATOM 1291 CA SER G 12 -2.278 16.916 74.255 1.00 14.77 C +ATOM 1292 C SER G 12 -1.429 16.914 72.984 1.00 13.94 C +ATOM 1293 O SER G 12 -0.198 17.029 73.093 1.00 14.19 O +ATOM 1294 CB SER G 12 -2.974 18.281 74.477 1.00 13.66 C +ATOM 1295 OG SER G 12 -1.917 19.264 74.389 1.00 15.93 O +ATOM 1296 N LEU G 13 -2.083 16.985 71.820 1.00 14.70 N +ATOM 1297 CA LEU G 13 -1.281 17.096 70.579 1.00 16.04 C +ATOM 1298 C LEU G 13 -0.485 18.410 70.629 1.00 13.50 C +ATOM 1299 O LEU G 13 0.591 18.513 70.018 1.00 13.56 O +ATOM 1300 CB LEU G 13 -2.143 17.037 69.317 1.00 18.89 C +ATOM 1301 CG ALEU G 13 -3.345 16.090 69.153 0.50 20.41 C +ATOM 1302 CG BLEU G 13 -2.849 15.683 69.030 0.50 18.28 C +ATOM 1303 CD1ALEU G 13 -4.587 16.988 68.898 0.50 21.01 C +ATOM 1304 CD1BLEU G 13 -3.189 15.571 67.532 0.50 19.31 C +ATOM 1305 CD2ALEU G 13 -3.250 15.164 67.923 0.50 21.43 C +ATOM 1306 CD2BLEU G 13 -1.942 14.526 69.447 0.50 18.63 C +ATOM 1307 N TYR G 14 -0.989 19.436 71.342 1.00 13.28 N +ATOM 1308 CA TYR G 14 -0.286 20.748 71.380 1.00 12.48 C +ATOM 1309 C TYR G 14 0.980 20.711 72.223 1.00 13.37 C +ATOM 1310 O TYR G 14 1.993 21.369 71.908 1.00 12.54 O +ATOM 1311 CB TYR G 14 -1.227 21.875 71.849 1.00 13.23 C +ATOM 1312 CG TYR G 14 -2.473 21.959 70.994 1.00 16.23 C +ATOM 1313 CD1 TYR G 14 -2.452 22.761 69.841 1.00 18.63 C +ATOM 1314 CD2 TYR G 14 -3.614 21.239 71.270 1.00 16.24 C +ATOM 1315 CE1 TYR G 14 -3.576 22.844 69.021 1.00 20.51 C +ATOM 1316 CE2 TYR G 14 -4.731 21.308 70.476 1.00 19.08 C +ATOM 1317 CZ TYR G 14 -4.702 22.117 69.347 1.00 21.93 C +ATOM 1318 OH TYR G 14 -5.846 22.150 68.573 1.00 25.41 O +ATOM 1319 N GLN G 15 0.919 19.919 73.305 1.00 11.59 N +ATOM 1320 CA GLN G 15 2.079 19.737 74.170 1.00 12.33 C +ATOM 1321 C GLN G 15 3.089 18.851 73.432 1.00 13.66 C +ATOM 1322 O GLN G 15 4.299 19.039 73.563 1.00 16.01 O +ATOM 1323 CB GLN G 15 1.735 19.050 75.503 1.00 12.22 C +ATOM 1324 CG GLN G 15 0.955 20.019 76.413 1.00 14.07 C +ATOM 1325 CD GLN G 15 0.304 19.316 77.610 1.00 14.13 C +ATOM 1326 OE1 GLN G 15 0.651 19.770 78.735 1.00 18.18 O +ATOM 1327 NE2 GLN G 15 -0.592 18.372 77.404 1.00 13.42 N +ATOM 1328 N LEU G 16 2.516 17.913 72.662 1.00 12.08 N +ATOM 1329 CA LEU G 16 3.468 17.045 71.911 1.00 13.41 C +ATOM 1330 C LEU G 16 4.208 17.821 70.826 1.00 14.40 C +ATOM 1331 O LEU G 16 5.387 17.594 70.514 1.00 12.96 O +ATOM 1332 CB LEU G 16 2.702 15.863 71.313 1.00 13.29 C +ATOM 1333 CG LEU G 16 2.237 14.769 72.285 1.00 17.19 C +ATOM 1334 CD1 LEU G 16 1.340 13.794 71.504 1.00 16.47 C +ATOM 1335 CD2 LEU G 16 3.452 14.109 72.968 1.00 17.43 C +ATOM 1336 N GLU G 17 3.524 18.775 70.216 1.00 14.09 N +ATOM 1337 CA GLU G 17 4.062 19.612 69.150 1.00 15.05 C +ATOM 1338 C GLU G 17 5.337 20.334 69.562 1.00 15.67 C +ATOM 1339 O GLU G 17 6.259 20.601 68.761 1.00 14.19 O +ATOM 1340 CB GLU G 17 2.979 20.629 68.744 1.00 18.00 C +ATOM 1341 CG GLU G 17 3.300 21.243 67.378 1.00 18.98 C +ATOM 1342 CD GLU G 17 2.366 22.400 67.047 1.00 24.06 C +ATOM 1343 OE1 GLU G 17 1.637 22.899 67.928 1.00 22.13 O +ATOM 1344 OE2 GLU G 17 2.370 22.818 65.853 1.00 26.31 O +ATOM 1345 N ASN G 18 5.456 20.579 70.876 1.00 15.31 N +ATOM 1346 CA ASN G 18 6.696 21.193 71.369 1.00 17.00 C +ATOM 1347 C ASN G 18 7.953 20.393 71.028 1.00 18.23 C +ATOM 1348 O ASN G 18 9.064 20.954 70.870 1.00 17.86 O +ATOM 1349 CB ASN G 18 6.570 21.334 72.888 1.00 19.95 C +ATOM 1350 CG ASN G 18 5.664 22.502 73.204 1.00 22.23 C +ATOM 1351 OD1 ASN G 18 5.473 23.421 72.413 1.00 23.08 O +ATOM 1352 ND2 ASN G 18 5.090 22.447 74.417 1.00 22.62 N +ATOM 1353 N TYR G 19 7.795 19.051 70.950 1.00 15.54 N +ATOM 1354 CA TYR G 19 8.969 18.191 70.687 1.00 15.83 C +ATOM 1355 C TYR G 19 9.270 18.014 69.196 1.00 15.86 C +ATOM 1356 O TYR G 19 10.262 17.333 68.818 1.00 17.08 O +ATOM 1357 CB TYR G 19 8.683 16.821 71.321 1.00 16.50 C +ATOM 1358 CG TYR G 19 8.674 16.945 72.833 1.00 16.64 C +ATOM 1359 CD1 TYR G 19 9.871 16.922 73.545 1.00 16.20 C +ATOM 1360 CD2 TYR G 19 7.465 17.066 73.523 1.00 17.12 C +ATOM 1361 CE1 TYR G 19 9.861 17.015 74.930 1.00 16.64 C +ATOM 1362 CE2 TYR G 19 7.455 17.159 74.909 1.00 17.21 C +ATOM 1363 CZ TYR G 19 8.648 17.134 75.610 1.00 16.66 C +ATOM 1364 OH TYR G 19 8.651 17.239 76.987 1.00 17.33 O +ATOM 1365 N CYS G 20 8.516 18.624 68.294 1.00 16.38 N +ATOM 1366 CA CYS G 20 8.754 18.550 66.866 1.00 14.21 C +ATOM 1367 C CYS G 20 9.985 19.368 66.466 1.00 17.18 C +ATOM 1368 O CYS G 20 10.320 20.345 67.131 1.00 15.81 O +ATOM 1369 CB CYS G 20 7.566 19.090 66.046 1.00 13.59 C +ATOM 1370 SG CYS G 20 6.065 18.098 66.343 1.00 13.53 S +ATOM 1371 N ASN G 21 10.500 19.075 65.288 1.00 18.09 N +ATOM 1372 CA ASN G 21 11.544 19.916 64.691 1.00 21.46 C +ATOM 1373 C ASN G 21 10.966 21.231 64.198 1.00 22.93 C +ATOM 1374 O ASN G 21 11.713 22.233 64.094 1.00 26.87 O +ATOM 1375 CB ASN G 21 12.105 19.137 63.497 1.00 22.31 C +ATOM 1376 CG ASN G 21 13.116 18.072 63.836 1.00 23.16 C +ATOM 1377 OD1 ASN G 21 13.672 18.027 64.946 1.00 23.63 O +ATOM 1378 ND2 ASN G 21 13.359 17.216 62.825 1.00 23.36 N +ATOM 1379 OXT ASN G 21 9.761 21.330 63.905 1.00 23.41 O +TER 1380 ASN G 21 +ATOM 1381 N PHE H 1 11.577 -0.737 83.108 1.00 17.85 N +ATOM 1382 CA PHE H 1 10.133 -0.556 83.472 1.00 16.97 C +ATOM 1383 C PHE H 1 9.197 -0.770 82.286 1.00 15.29 C +ATOM 1384 O PHE H 1 9.172 0.055 81.368 1.00 15.93 O +ATOM 1385 CB PHE H 1 10.061 0.873 84.000 1.00 19.31 C +ATOM 1386 CG PHE H 1 8.773 1.434 84.497 1.00 19.56 C +ATOM 1387 CD1 PHE H 1 7.635 0.665 84.648 1.00 19.85 C +ATOM 1388 CD2 PHE H 1 8.736 2.801 84.806 1.00 19.04 C +ATOM 1389 CE1 PHE H 1 6.447 1.222 85.110 1.00 19.59 C +ATOM 1390 CE2 PHE H 1 7.552 3.361 85.275 1.00 19.29 C +ATOM 1391 CZ PHE H 1 6.410 2.577 85.428 1.00 19.86 C +ATOM 1392 N VAL H 2 8.612 -1.947 82.124 1.00 13.78 N +ATOM 1393 CA VAL H 2 7.846 -2.277 80.928 1.00 14.29 C +ATOM 1394 C VAL H 2 6.793 -1.201 80.642 1.00 13.72 C +ATOM 1395 O VAL H 2 6.704 -0.827 79.470 1.00 13.30 O +ATOM 1396 CB VAL H 2 7.196 -3.668 81.027 1.00 14.31 C +ATOM 1397 CG1 VAL H 2 6.345 -4.031 79.811 1.00 15.28 C +ATOM 1398 CG2 VAL H 2 8.301 -4.718 81.264 1.00 14.82 C +ATOM 1399 N ASN H 3 6.014 -0.740 81.626 1.00 14.96 N +ATOM 1400 CA ASN H 3 4.986 0.277 81.278 1.00 15.52 C +ATOM 1401 C ASN H 3 5.599 1.505 80.609 1.00 11.56 C +ATOM 1402 O ASN H 3 4.967 2.113 79.718 1.00 12.05 O +ATOM 1403 CB ASN H 3 4.161 0.687 82.513 1.00 19.13 C +ATOM 1404 CG ASN H 3 2.682 0.749 82.210 1.00 25.48 C +ATOM 1405 OD1 ASN H 3 1.734 0.640 83.012 1.00 28.59 O +ATOM 1406 ND2 ASN H 3 2.453 0.941 80.893 1.00 27.67 N +ATOM 1407 N GLN H 4 6.800 1.931 81.017 1.00 13.09 N +ATOM 1408 CA GLN H 4 7.502 3.042 80.400 1.00 13.97 C +ATOM 1409 C GLN H 4 7.819 2.694 78.931 1.00 13.24 C +ATOM 1410 O GLN H 4 7.688 3.564 78.053 1.00 13.79 O +ATOM 1411 CB GLN H 4 8.811 3.351 81.136 1.00 17.04 C +ATOM 1412 CG GLN H 4 9.621 4.527 80.607 1.00 18.40 C +ATOM 1413 CD GLN H 4 10.912 4.755 81.397 1.00 20.74 C +ATOM 1414 OE1 GLN H 4 11.930 5.226 80.851 1.00 21.39 O +ATOM 1415 NE2 GLN H 4 10.914 4.468 82.683 1.00 20.86 N +ATOM 1416 N HIS H 5 8.229 1.446 78.701 1.00 14.32 N +ATOM 1417 CA HIS H 5 8.534 1.011 77.308 1.00 14.12 C +ATOM 1418 C HIS H 5 7.293 1.060 76.436 1.00 14.43 C +ATOM 1419 O HIS H 5 7.295 1.560 75.275 1.00 16.50 O +ATOM 1420 CB HIS H 5 9.164 -0.381 77.430 1.00 18.23 C +ATOM 1421 CG HIS H 5 9.648 -0.924 76.111 1.00 21.78 C +ATOM 1422 ND1 HIS H 5 10.587 -0.248 75.360 1.00 22.48 N +ATOM 1423 CD2 HIS H 5 9.318 -2.053 75.445 1.00 24.70 C +ATOM 1424 CE1 HIS H 5 10.815 -0.935 74.252 1.00 26.39 C +ATOM 1425 NE2 HIS H 5 10.067 -2.040 74.267 1.00 28.02 N +ATOM 1426 N LEU H 6 6.142 0.641 76.980 1.00 11.61 N +ATOM 1427 CA LEU H 6 4.880 0.618 76.268 1.00 11.78 C +ATOM 1428 C LEU H 6 4.414 2.055 75.991 1.00 13.31 C +ATOM 1429 O LEU H 6 4.055 2.407 74.851 1.00 12.85 O +ATOM 1430 CB LEU H 6 3.739 -0.136 76.978 1.00 12.54 C +ATOM 1431 CG LEU H 6 4.014 -1.602 77.330 1.00 14.17 C +ATOM 1432 CD1 LEU H 6 2.707 -2.207 77.890 1.00 13.16 C +ATOM 1433 CD2 LEU H 6 4.540 -2.411 76.149 1.00 12.98 C +ATOM 1434 N CYS H 7 4.571 2.927 76.999 1.00 11.31 N +ATOM 1435 CA CYS H 7 4.192 4.331 76.835 1.00 11.06 C +ATOM 1436 C CYS H 7 4.982 5.004 75.709 1.00 11.59 C +ATOM 1437 O CYS H 7 4.435 5.645 74.820 1.00 12.44 O +ATOM 1438 CB CYS H 7 4.452 5.053 78.159 1.00 13.23 C +ATOM 1439 SG CYS H 7 3.938 6.784 78.106 1.00 12.76 S +ATOM 1440 N GLY H 8 6.298 4.784 75.660 1.00 10.46 N +ATOM 1441 CA GLY H 8 7.146 5.404 74.625 1.00 11.44 C +ATOM 1442 C GLY H 8 6.692 4.989 73.212 1.00 12.39 C +ATOM 1443 O GLY H 8 6.776 5.854 72.340 1.00 11.62 O +ATOM 1444 N SER H 9 6.223 3.765 73.065 1.00 11.86 N +ATOM 1445 CA SER H 9 5.752 3.282 71.738 1.00 14.16 C +ATOM 1446 C SER H 9 4.632 4.187 71.248 1.00 13.92 C +ATOM 1447 O SER H 9 4.534 4.639 70.105 1.00 13.22 O +ATOM 1448 CB SER H 9 5.274 1.836 71.890 1.00 17.01 C +ATOM 1449 OG SER H 9 4.767 1.300 70.681 1.00 22.59 O +ATOM 1450 N HIS H 10 3.697 4.476 72.174 1.00 10.89 N +ATOM 1451 CA HIS H 10 2.574 5.352 71.833 1.00 11.47 C +ATOM 1452 C HIS H 10 2.996 6.805 71.673 1.00 12.86 C +ATOM 1453 O HIS H 10 2.465 7.520 70.786 1.00 11.87 O +ATOM 1454 CB HIS H 10 1.477 5.275 72.914 1.00 12.09 C +ATOM 1455 CG HIS H 10 0.854 3.905 72.936 1.00 14.56 C +ATOM 1456 ND1 HIS H 10 -0.325 3.646 72.233 1.00 16.89 N +ATOM 1457 CD2 HIS H 10 1.180 2.747 73.566 1.00 12.01 C +ATOM 1458 CE1 HIS H 10 -0.678 2.378 72.436 1.00 16.91 C +ATOM 1459 NE2 HIS H 10 0.197 1.821 73.246 1.00 14.85 N +ATOM 1460 N LEU H 11 3.986 7.279 72.418 1.00 11.32 N +ATOM 1461 CA LEU H 11 4.449 8.647 72.260 1.00 12.14 C +ATOM 1462 C LEU H 11 5.009 8.843 70.834 1.00 9.35 C +ATOM 1463 O LEU H 11 4.738 9.915 70.332 1.00 10.15 O +ATOM 1464 CB LEU H 11 5.640 9.084 73.136 1.00 12.96 C +ATOM 1465 CG LEU H 11 5.283 9.354 74.603 1.00 14.50 C +ATOM 1466 CD1 LEU H 11 6.551 9.633 75.430 1.00 14.75 C +ATOM 1467 CD2 LEU H 11 4.321 10.533 74.702 1.00 16.53 C +ATOM 1468 N VAL H 12 5.819 7.913 70.369 1.00 9.16 N +ATOM 1469 CA VAL H 12 6.422 8.174 69.038 1.00 12.87 C +ATOM 1470 C VAL H 12 5.363 8.127 67.927 1.00 12.48 C +ATOM 1471 O VAL H 12 5.520 8.922 66.951 1.00 11.61 O +ATOM 1472 CB VAL H 12 7.613 7.250 68.718 1.00 15.36 C +ATOM 1473 CG1 VAL H 12 8.717 7.440 69.758 1.00 14.91 C +ATOM 1474 CG2 VAL H 12 7.203 5.791 68.618 1.00 16.48 C +ATOM 1475 N GLU H 13 4.339 7.315 68.048 1.00 12.68 N +ATOM 1476 CA GLU H 13 3.247 7.284 67.039 1.00 13.99 C +ATOM 1477 C GLU H 13 2.529 8.615 66.993 1.00 12.86 C +ATOM 1478 O GLU H 13 2.180 9.257 65.996 1.00 13.36 O +ATOM 1479 CB GLU H 13 2.308 6.113 67.379 1.00 17.82 C +ATOM 1480 CG GLU H 13 1.722 5.334 66.201 1.00 21.16 C +ATOM 1481 CD GLU H 13 2.488 5.438 64.895 0.50 20.27 C +ATOM 1482 OE1 GLU H 13 3.695 5.050 64.840 0.50 20.99 O +ATOM 1483 OE2 GLU H 13 1.815 5.925 63.945 0.50 18.85 O +ATOM 1484 N ALA H 14 2.277 9.221 68.196 1.00 11.27 N +ATOM 1485 CA ALA H 14 1.657 10.531 68.316 1.00 9.97 C +ATOM 1486 C ALA H 14 2.524 11.634 67.751 1.00 10.85 C +ATOM 1487 O ALA H 14 2.047 12.541 67.040 1.00 9.62 O +ATOM 1488 CB ALA H 14 1.408 10.901 69.801 1.00 10.20 C +ATOM 1489 N LEU H 15 3.825 11.633 68.144 1.00 10.64 N +ATOM 1490 CA LEU H 15 4.723 12.608 67.521 1.00 13.11 C +ATOM 1491 C LEU H 15 4.796 12.477 65.979 1.00 12.65 C +ATOM 1492 O LEU H 15 4.728 13.521 65.323 1.00 12.91 O +ATOM 1493 CB LEU H 15 6.160 12.422 68.013 1.00 14.39 C +ATOM 1494 CG LEU H 15 6.478 12.888 69.418 1.00 16.52 C +ATOM 1495 CD1 LEU H 15 7.920 12.452 69.732 1.00 17.82 C +ATOM 1496 CD2 LEU H 15 6.321 14.425 69.535 1.00 15.47 C +ATOM 1497 N TYR H 16 4.843 11.238 65.482 1.00 13.70 N +ATOM 1498 CA TYR H 16 4.772 11.087 64.022 1.00 13.41 C +ATOM 1499 C TYR H 16 3.573 11.787 63.427 1.00 13.39 C +ATOM 1500 O TYR H 16 3.706 12.540 62.424 1.00 14.40 O +ATOM 1501 CB TYR H 16 4.696 9.587 63.724 1.00 12.69 C +ATOM 1502 CG TYR H 16 4.630 9.356 62.226 1.00 11.25 C +ATOM 1503 CD1 TYR H 16 5.753 9.576 61.428 1.00 12.60 C +ATOM 1504 CD2 TYR H 16 3.452 8.892 61.642 1.00 12.34 C +ATOM 1505 CE1 TYR H 16 5.698 9.328 60.064 1.00 13.26 C +ATOM 1506 CE2 TYR H 16 3.397 8.643 60.276 1.00 12.77 C +ATOM 1507 CZ TYR H 16 4.514 8.858 59.489 1.00 13.04 C +ATOM 1508 OH TYR H 16 4.479 8.583 58.134 1.00 13.67 O +ATOM 1509 N LEU H 17 2.397 11.611 64.035 1.00 11.21 N +ATOM 1510 CA LEU H 17 1.155 12.254 63.535 1.00 13.58 C +ATOM 1511 C LEU H 17 1.156 13.772 63.644 1.00 12.48 C +ATOM 1512 O LEU H 17 0.875 14.507 62.688 1.00 11.57 O +ATOM 1513 CB LEU H 17 -0.053 11.696 64.289 1.00 14.97 C +ATOM 1514 CG LEU H 17 -1.414 12.378 64.029 1.00 17.74 C +ATOM 1515 CD1 LEU H 17 -1.903 12.024 62.623 1.00 19.10 C +ATOM 1516 CD2 LEU H 17 -2.441 12.031 65.094 1.00 17.73 C +ATOM 1517 N VAL H 18 1.584 14.298 64.817 1.00 12.08 N +ATOM 1518 CA VAL H 18 1.515 15.753 64.997 1.00 12.31 C +ATOM 1519 C VAL H 18 2.616 16.504 64.247 1.00 11.77 C +ATOM 1520 O VAL H 18 2.349 17.600 63.708 1.00 12.88 O +ATOM 1521 CB VAL H 18 1.527 16.170 66.482 1.00 10.95 C +ATOM 1522 CG1AVAL H 18 2.810 16.583 67.115 0.50 12.08 C +ATOM 1523 CG1BVAL H 18 1.615 17.670 66.722 0.50 11.23 C +ATOM 1524 CG2AVAL H 18 0.558 17.405 66.525 0.50 12.69 C +ATOM 1525 CG2BVAL H 18 0.317 15.529 67.205 0.50 9.24 C +ATOM 1526 N CYS H 19 3.809 15.954 64.152 1.00 13.47 N +ATOM 1527 CA CYS H 19 4.919 16.707 63.537 1.00 13.39 C +ATOM 1528 C CYS H 19 4.829 16.715 62.002 1.00 16.39 C +ATOM 1529 O CYS H 19 5.405 17.669 61.434 1.00 19.33 O +ATOM 1530 CB CYS H 19 6.270 16.185 64.004 1.00 13.14 C +ATOM 1531 SG CYS H 19 6.527 16.190 65.822 1.00 13.36 S +ATOM 1532 N GLY H 20 4.114 15.782 61.438 1.00 17.59 N +ATOM 1533 CA GLY H 20 3.913 15.709 59.986 1.00 22.12 C +ATOM 1534 C GLY H 20 5.251 15.894 59.269 1.00 24.29 C +ATOM 1535 O GLY H 20 6.269 15.293 59.643 1.00 23.07 O +ATOM 1536 N GLU H 21 5.222 16.705 58.189 1.00 24.33 N +ATOM 1537 CA GLU H 21 6.485 16.758 57.431 1.00 25.46 C +ATOM 1538 C GLU H 21 7.630 17.459 58.212 1.00 25.48 C +ATOM 1539 O GLU H 21 8.769 17.530 57.769 1.00 25.96 O +ATOM 1540 CB GLU H 21 6.210 17.498 56.120 1.00 26.28 C +ATOM 1541 CG GLU H 21 5.104 16.822 55.309 0.00 20.00 C +ATOM 1542 CD GLU H 21 4.859 17.597 54.035 0.00 20.00 C +ATOM 1543 OE1 GLU H 21 5.159 18.781 54.002 0.00 20.00 O +ATOM 1544 OE2 GLU H 21 4.361 17.001 53.078 0.00 20.00 O +ATOM 1545 N ARG H 22 7.410 17.968 59.431 1.00 23.72 N +ATOM 1546 CA ARG H 22 8.518 18.606 60.154 1.00 22.54 C +ATOM 1547 C ARG H 22 9.569 17.595 60.626 1.00 21.62 C +ATOM 1548 O ARG H 22 10.760 17.878 60.758 1.00 23.64 O +ATOM 1549 CB ARG H 22 8.013 19.370 61.380 1.00 24.45 C +ATOM 1550 CG ARG H 22 7.329 20.699 60.966 1.00 26.79 C +ATOM 1551 CD ARG H 22 6.672 21.301 62.227 1.00 27.75 C +ATOM 1552 NE ARG H 22 5.414 20.573 62.502 1.00 29.17 N +ATOM 1553 CZ ARG H 22 4.561 20.995 63.438 1.00 29.82 C +ATOM 1554 NH1 ARG H 22 4.867 22.100 64.137 1.00 31.37 N +ATOM 1555 NH2 ARG H 22 3.431 20.341 63.654 1.00 29.07 N +ATOM 1556 N GLY H 23 9.091 16.403 60.977 1.00 20.95 N +ATOM 1557 CA GLY H 23 9.987 15.353 61.471 1.00 18.40 C +ATOM 1558 C GLY H 23 10.224 15.730 62.947 1.00 17.56 C +ATOM 1559 O GLY H 23 9.730 16.740 63.463 1.00 18.28 O +ATOM 1560 N PHE H 24 11.028 14.889 63.576 1.00 15.09 N +ATOM 1561 CA PHE H 24 11.345 15.108 64.995 1.00 14.89 C +ATOM 1562 C PHE H 24 12.491 14.220 65.418 1.00 14.33 C +ATOM 1563 O PHE H 24 12.831 13.234 64.733 1.00 15.39 O +ATOM 1564 CB PHE H 24 10.076 14.698 65.798 1.00 14.38 C +ATOM 1565 CG PHE H 24 9.629 13.261 65.662 1.00 13.09 C +ATOM 1566 CD1 PHE H 24 8.780 12.887 64.619 1.00 14.33 C +ATOM 1567 CD2 PHE H 24 9.985 12.299 66.588 1.00 14.22 C +ATOM 1568 CE1 PHE H 24 8.374 11.554 64.475 1.00 14.16 C +ATOM 1569 CE2 PHE H 24 9.619 10.963 66.452 1.00 14.30 C +ATOM 1570 CZ PHE H 24 8.782 10.614 65.393 1.00 13.69 C +ATOM 1571 N PHE H 25 13.062 14.539 66.555 1.00 15.79 N +ATOM 1572 CA PHE H 25 13.991 13.687 67.243 1.00 18.16 C +ATOM 1573 C PHE H 25 13.186 13.069 68.410 1.00 17.03 C +ATOM 1574 O PHE H 25 12.398 13.746 69.089 1.00 18.93 O +ATOM 1575 CB PHE H 25 15.188 14.429 67.842 1.00 21.24 C +ATOM 1576 CG PHE H 25 16.139 14.850 66.745 1.00 23.58 C +ATOM 1577 CD1 PHE H 25 15.837 15.953 65.966 1.00 25.48 C +ATOM 1578 CD2 PHE H 25 17.301 14.135 66.505 1.00 25.68 C +ATOM 1579 CE1 PHE H 25 16.698 16.352 64.950 1.00 27.12 C +ATOM 1580 CE2 PHE H 25 18.177 14.524 65.488 1.00 25.94 C +ATOM 1581 CZ PHE H 25 17.866 15.629 64.713 1.00 26.45 C +ATOM 1582 N TYR H 26 13.435 11.804 68.652 1.00 15.43 N +ATOM 1583 CA TYR H 26 12.877 11.160 69.865 1.00 16.95 C +ATOM 1584 C TYR H 26 14.107 10.974 70.764 1.00 16.73 C +ATOM 1585 O TYR H 26 15.032 10.229 70.408 1.00 15.67 O +ATOM 1586 CB TYR H 26 12.210 9.823 69.580 1.00 16.75 C +ATOM 1587 CG TYR H 26 11.790 9.131 70.870 1.00 18.70 C +ATOM 1588 CD1 TYR H 26 10.793 9.718 71.636 1.00 20.33 C +ATOM 1589 CD2 TYR H 26 12.376 7.948 71.295 1.00 18.58 C +ATOM 1590 CE1 TYR H 26 10.380 9.116 72.830 1.00 21.69 C +ATOM 1591 CE2 TYR H 26 11.960 7.349 72.487 1.00 20.78 C +ATOM 1592 CZ TYR H 26 10.977 7.941 73.228 1.00 21.32 C +ATOM 1593 OH TYR H 26 10.525 7.386 74.430 1.00 25.36 O +ATOM 1594 N THR H 27 14.133 11.668 71.908 1.00 18.24 N +ATOM 1595 CA THR H 27 15.327 11.504 72.751 1.00 23.22 C +ATOM 1596 C THR H 27 14.862 11.328 74.204 1.00 23.93 C +ATOM 1597 O THR H 27 14.406 12.271 74.870 1.00 23.47 O +ATOM 1598 CB THR H 27 16.313 12.674 72.601 1.00 25.92 C +ATOM 1599 OG1 THR H 27 15.932 13.635 73.586 1.00 30.06 O +ATOM 1600 CG2 THR H 27 16.248 13.294 71.216 1.00 24.38 C +ATOM 1601 N PRO H 28 14.751 10.074 74.564 1.00 24.04 N +ATOM 1602 CA PRO H 28 14.181 9.599 75.823 1.00 25.64 C +ATOM 1603 C PRO H 28 15.029 10.032 77.012 1.00 27.79 C +ATOM 1604 O PRO H 28 14.531 10.333 78.087 1.00 29.46 O +ATOM 1605 CB PRO H 28 14.111 8.080 75.772 1.00 25.47 C +ATOM 1606 CG PRO H 28 15.102 7.617 74.721 1.00 24.15 C +ATOM 1607 CD PRO H 28 15.221 8.922 73.797 1.00 24.44 C +ATOM 1608 N LYS H 29 16.355 10.004 76.792 1.00 28.50 N +ATOM 1609 CA LYS H 29 17.203 10.351 77.937 1.00 31.21 C +ATOM 1610 C LYS H 29 18.556 10.913 77.478 0.00 20.00 C +ATOM 1611 O LYS H 29 18.630 11.844 76.684 0.00 20.00 O +ATOM 1612 CB LYS H 29 17.421 9.085 78.799 0.00 20.00 C +ATOM 1613 CG LYS H 29 16.160 8.687 79.610 0.00 20.00 C +ATOM 1614 CD LYS H 29 16.466 8.355 81.104 0.00 20.00 C +ATOM 1615 CE LYS H 29 15.560 7.228 81.668 0.00 20.00 C +ATOM 1616 NZ LYS H 29 15.320 7.431 83.120 0.00 20.00 N +ATOM 1617 OXT LYS H 29 19.616 10.453 77.887 0.00 20.00 O +TER 1618 LYS H 29 +HETATM 1619 C1 IPH A 22 -5.661 9.282 16.887 1.00 13.71 C +HETATM 1620 C2 IPH A 22 -5.340 10.027 18.047 1.00 12.98 C +HETATM 1621 C3 IPH A 22 -4.825 9.245 19.106 1.00 12.69 C +HETATM 1622 C4 IPH A 22 -4.703 7.852 19.077 1.00 12.64 C +HETATM 1623 C5 IPH A 22 -5.039 7.153 17.900 1.00 14.17 C +HETATM 1624 C6 IPH A 22 -5.504 7.916 16.820 1.00 11.82 C +HETATM 1625 O1 IPH A 22 -6.150 9.977 15.791 1.00 13.37 O +HETATM 1626 ZN ZN B 30 0.000 0.000 18.779 0.33 10.69 ZN +HETATM 1627 CL CL B 31 0.000 0.000 16.611 0.33 12.22 CL +HETATM 1628 C1 MYR B 39 7.835 13.475 11.645 0.00 20.00 C +HETATM 1629 O1 MYR B 39 7.059 13.815 10.549 0.00 20.00 O +HETATM 1630 C2 MYR B 39 8.763 12.328 11.272 0.00 20.00 C +HETATM 1631 C3 MYR B 39 9.816 12.732 10.244 0.00 20.00 C +HETATM 1632 C4 MYR B 39 10.068 11.641 9.204 0.00 20.00 C +HETATM 1633 C5 MYR B 39 8.775 11.006 8.691 0.00 20.00 C +HETATM 1634 C6 MYR B 39 8.840 9.477 8.666 1.00 26.54 C +HETATM 1635 C7 MYR B 39 7.488 8.825 8.967 1.00 25.87 C +HETATM 1636 C8 MYR B 39 7.527 7.300 8.833 1.00 24.38 C +HETATM 1637 C9 MYR B 39 6.585 6.601 9.817 1.00 24.56 C +HETATM 1638 C10 MYR B 39 6.189 5.194 9.357 1.00 25.47 C +HETATM 1639 C11 MYR B 39 5.319 4.464 10.383 1.00 25.40 C +HETATM 1640 C12 MYR B 39 5.075 2.999 10.013 1.00 27.21 C +HETATM 1641 C13 MYR B 39 4.863 2.110 11.240 1.00 28.92 C +HETATM 1642 C14 MYR B 39 4.233 0.761 10.889 1.00 29.92 C +HETATM 1643 C1 IPH C 22 9.806 -4.594 35.946 1.00 18.13 C +HETATM 1644 C2 IPH C 22 8.415 -4.615 36.083 1.00 17.97 C +HETATM 1645 C3 IPH C 22 7.660 -4.258 34.946 1.00 18.26 C +HETATM 1646 C4 IPH C 22 8.302 -3.913 33.760 1.00 15.67 C +HETATM 1647 C5 IPH C 22 9.697 -3.908 33.639 1.00 17.84 C +HETATM 1648 C6 IPH C 22 10.461 -4.260 34.744 1.00 17.14 C +HETATM 1649 O1 IPH C 22 10.589 -4.957 37.017 1.00 17.59 O +HETATM 1650 ZN ZN D 30 0.000 0.000 34.196 0.33 12.34 ZN +HETATM 1651 CL CL D 31 0.000 0.000 36.366 0.33 11.37 CL +HETATM 1652 C1 MYR D 39 13.145 5.879 44.308 1.00 43.86 C +HETATM 1653 O1 MYR D 39 13.563 4.639 44.813 1.00 44.46 O +HETATM 1654 C2 MYR D 39 11.807 6.277 44.919 1.00 42.97 C +HETATM 1655 C3 MYR D 39 11.856 7.649 45.570 1.00 41.93 C +HETATM 1656 C4 MYR D 39 10.510 8.065 46.183 1.00 41.64 C +HETATM 1657 C5 MYR D 39 10.352 7.618 47.642 1.00 40.56 C +HETATM 1658 C6 MYR D 39 9.441 6.395 47.793 1.00 39.22 C +HETATM 1659 C7 MYR D 39 8.163 6.696 48.582 1.00 38.20 C +HETATM 1660 C8 MYR D 39 7.835 5.615 49.616 1.00 35.56 C +HETATM 1661 C9 MYR D 39 6.365 5.192 49.591 1.00 34.33 C +HETATM 1662 C10 MYR D 39 6.185 3.685 49.402 1.00 33.37 C +HETATM 1663 C11 MYR D 39 5.094 3.100 50.302 1.00 32.92 C +HETATM 1664 C12 MYR D 39 5.086 1.570 50.302 1.00 33.01 C +HETATM 1665 C13 MYR D 39 3.710 0.988 50.628 1.00 33.72 C +HETATM 1666 C14 MYR D 39 3.739 -0.532 50.800 1.00 32.90 C +HETATM 1667 C1 IPH E 22 -4.433 9.971 56.719 1.00 15.57 C +HETATM 1668 C2 IPH E 22 -4.096 10.577 57.930 1.00 16.66 C +HETATM 1669 C3 IPH E 22 -3.735 9.760 59.006 1.00 16.58 C +HETATM 1670 C4 IPH E 22 -3.707 8.376 58.841 1.00 16.66 C +HETATM 1671 C5 IPH E 22 -4.048 7.776 57.634 1.00 17.67 C +HETATM 1672 C6 IPH E 22 -4.420 8.583 56.533 1.00 15.96 C +HETATM 1673 O1 IPH E 22 -4.796 10.823 55.680 1.00 17.95 O +HETATM 1674 ZN ZN F 30 0.000 0.000 58.639 0.33 11.99 ZN +HETATM 1675 CL CL F 31 0.000 0.000 56.498 0.33 13.93 CL +HETATM 1676 C1 MYR F 39 12.146 13.183 45.515 0.00 20.00 C +HETATM 1677 O1 MYR F 39 13.067 14.003 44.850 0.00 20.00 O +HETATM 1678 C2 MYR F 39 11.354 12.334 44.533 0.00 20.00 C +HETATM 1679 C3 MYR F 39 9.902 12.147 44.984 0.00 20.00 C +HETATM 1680 C4 MYR F 39 9.503 10.676 45.088 0.00 20.00 C +HETATM 1681 C5 MYR F 39 7.993 10.470 44.984 0.00 20.00 C +HETATM 1682 C6 MYR F 39 7.589 9.008 45.155 0.00 20.00 C +HETATM 1683 C7 MYR F 39 6.983 8.414 43.886 0.00 20.00 C +HETATM 1684 C8 MYR F 39 5.873 7.749 43.929 0.50 17.91 C +HETATM 1685 C9 MYR F 39 5.289 6.521 43.217 0.50 17.97 C +HETATM 1686 C10 MYR F 39 3.956 6.079 43.723 0.50 18.17 C +HETATM 1687 C11 MYR F 39 3.151 5.367 42.625 0.50 18.49 C +HETATM 1688 C12 MYR F 39 1.890 4.664 43.146 0.50 19.42 C +HETATM 1689 C13 MYR F 39 1.336 3.656 42.117 0.50 19.80 C +HETATM 1690 C14 MYR F 39 0.258 3.309 41.793 0.00 20.00 C +HETATM 1691 C1 IPH G 22 8.823 -6.017 75.855 1.00 15.74 C +HETATM 1692 C2 IPH G 22 7.438 -5.881 75.955 1.00 13.11 C +HETATM 1693 C3 IPH G 22 6.720 -5.429 74.838 1.00 14.78 C +HETATM 1694 C4 IPH G 22 7.441 -5.099 73.683 1.00 12.62 C +HETATM 1695 C5 IPH G 22 8.827 -5.216 73.597 1.00 13.69 C +HETATM 1696 C6 IPH G 22 9.551 -5.703 74.692 1.00 14.20 C +HETATM 1697 O1 IPH G 22 9.561 -6.496 76.933 1.00 14.64 O +HETATM 1698 ZN ZN H 30 0.000 0.000 74.024 0.33 14.68 ZN +HETATM 1699 CL CL H 31 0.000 0.000 76.191 0.33 15.86 CL +HETATM 1700 C1 MYR H 39 14.782 6.834 84.170 1.00 43.17 C +HETATM 1701 O1 MYR H 39 15.182 5.795 85.026 1.00 44.80 O +HETATM 1702 C2 MYR H 39 13.260 6.897 84.081 1.00 42.04 C +HETATM 1703 C3 MYR H 39 12.723 8.330 84.153 1.00 40.76 C +HETATM 1704 C4 MYR H 39 11.363 8.483 83.467 1.00 38.49 C +HETATM 1705 C5 MYR H 39 10.187 8.514 84.457 1.00 37.01 C +HETATM 1706 C6 MYR H 39 8.822 8.451 83.754 1.00 33.31 C +HETATM 1707 C7 MYR H 39 8.324 7.024 83.560 1.00 31.73 C +HETATM 1708 C8 MYR H 39 6.845 6.876 83.885 1.00 29.81 C +HETATM 1709 C9 MYR H 39 6.168 5.811 83.039 1.00 28.44 C +HETATM 1710 C10 MYR H 39 4.745 5.525 83.486 1.00 25.96 C +HETATM 1711 C11 MYR H 39 3.938 4.750 82.452 1.00 25.92 C +HETATM 1712 C12 MYR H 39 2.456 4.709 82.802 1.00 27.26 C +HETATM 1713 C13 MYR H 39 1.568 4.457 81.592 1.00 28.41 C +HETATM 1714 C14 MYR H 39 0.607 3.288 81.804 1.00 28.64 C +HETATM 1715 O HOH A 23 17.639 -5.979 20.330 1.00 27.85 O +HETATM 1716 O HOH A 35 12.189 11.971 14.602 1.00 22.09 O +HETATM 1717 O HOH A 66 24.511 14.447 27.551 1.00 28.64 O +HETATM 1718 O HOH A 71 9.682 -8.066 16.389 1.00 35.81 O +HETATM 1719 O HOH A 85 17.006 -5.067 14.553 1.00 47.74 O +HETATM 1720 O HOH A 94 18.688 5.842 15.133 1.00 36.73 O +HETATM 1721 O HOH A 95 20.120 4.830 16.866 1.00 30.08 O +HETATM 1722 O HOH A 107 15.926 2.949 8.889 1.00 39.66 O +HETATM 1723 O HOH A 121 12.898 -8.753 13.335 1.00 42.31 O +HETATM 1724 O HOH A 122 20.315 -1.270 25.199 1.00 30.83 O +HETATM 1725 O HOH A 123 20.595 -4.823 20.817 1.00 30.11 O +HETATM 1726 O HOH A 134 27.106 1.493 16.499 1.00 45.75 O +HETATM 1727 O HOH A 135 13.358 3.385 4.357 1.00 33.02 O +HETATM 1728 O HOH A 136 19.234 14.410 31.839 1.00 43.23 O +HETATM 1729 O HOH A 155 17.305 1.206 12.064 1.00 45.81 O +HETATM 1730 O HOH B 40 13.817 11.255 20.074 1.00 18.80 O +HETATM 1731 O HOH B 41 -3.096 8.975 8.225 1.00 20.19 O +HETATM 1732 O HOH B 42 13.674 5.936 30.978 1.00 21.22 O +HETATM 1733 O HOH B 43 -1.953 5.673 8.612 1.00 21.67 O +HETATM 1734 O HOH B 44 12.652 2.989 33.270 1.00 23.43 O +HETATM 1735 O HOH B 45 6.399 12.089 14.263 1.00 26.22 O +HETATM 1736 O HOH B 46 4.329 13.066 17.618 1.00 37.93 O +HETATM 1737 O HOH B 47 10.130 6.195 36.215 1.00 38.78 O +HETATM 1738 O HOH B 48 -3.095 12.799 9.986 1.00 20.63 O +HETATM 1739 O HOH B 49 18.567 3.010 34.912 1.00 52.86 O +HETATM 1740 O HOH B 50 19.305 1.729 31.608 1.00 43.56 O +HETATM 1741 O HOH B 51 16.059 18.154 12.128 1.00 43.59 O +HETATM 1742 O HOH B 52 19.805 0.196 27.813 1.00 28.01 O +HETATM 1743 O HOH B 53 1.182 7.935 4.942 1.00 21.97 O +HETATM 1744 O HOH B 54 8.238 -1.821 27.767 1.00 27.44 O +HETATM 1745 O HOH B 55 18.669 -2.152 31.935 1.00 28.74 O +HETATM 1746 O HOH B 56 5.291 11.043 16.886 1.00 36.18 O +HETATM 1747 O HOH B 57 0.000 0.000 27.734 0.33 45.83 O +HETATM 1748 O HOH B 58 12.243 3.259 36.188 1.00 29.19 O +HETATM 1749 O HOH B 59 2.621 12.615 13.560 1.00 41.08 O +HETATM 1750 O HOH B 60 5.669 -2.066 21.698 1.00 34.56 O +HETATM 1751 O HOH B 61 8.268 -2.788 21.623 1.00 25.38 O +HETATM 1752 O HOH B 62 8.234 -1.558 25.238 1.00 20.53 O +HETATM 1753 O HOH B 63 16.957 -0.190 31.643 1.00 43.93 O +HETATM 1754 O HOH B 64 10.867 16.383 10.315 1.00 46.63 O +HETATM 1755 O HOH C 42 10.432 18.286 28.169 1.00 17.65 O +HETATM 1756 O HOH C 45 -2.936 20.044 27.109 1.00 30.19 O +HETATM 1757 O HOH C 97 -9.139 13.407 39.479 1.00 54.97 O +HETATM 1758 O HOH C 99 -0.383 7.859 44.469 1.00 33.68 O +HETATM 1759 O HOH C 103 5.864 17.459 43.382 1.00 40.75 O +HETATM 1760 O HOH C 113 11.821 17.768 32.039 1.00 50.11 O +HETATM 1761 O HOH C 120 -8.231 12.684 41.842 1.00 46.42 O +HETATM 1762 O HOH C 129 10.134 15.893 35.406 1.00 25.99 O +HETATM 1763 O HOH C 139 9.874 13.968 40.763 1.00 38.56 O +HETATM 1764 O HOH C 140 10.512 13.248 38.376 1.00 33.22 O +HETATM 1765 O HOH C 141 11.335 18.568 35.208 1.00 45.62 O +HETATM 1766 O HOH C 142 -8.144 20.983 34.417 1.00 32.13 O +HETATM 1767 O HOH C 143 -8.294 22.804 38.257 1.00 26.68 O +HETATM 1768 O HOH C 144 8.042 25.183 33.078 1.00 51.58 O +HETATM 1769 O HOH C 156 -6.525 13.893 34.019 1.00 38.12 O +HETATM 1770 O HOH C 162 -8.953 18.762 29.526 1.00 20.00 O +HETATM 1771 O HOH D 40 -1.686 4.748 29.405 1.00 28.76 O +HETATM 1772 O HOH D 41 5.284 14.028 22.044 1.00 22.23 O +HETATM 1773 O HOH D 42 10.083 14.728 32.811 1.00 22.32 O +HETATM 1774 O HOH D 43 -2.693 0.304 29.926 1.00 44.42 O +HETATM 1775 O HOH D 44 10.057 17.105 31.116 1.00 31.23 O +HETATM 1776 O HOH D 45 -1.036 7.450 30.006 1.00 23.79 O +HETATM 1777 O HOH D 46 -3.586 7.989 31.336 1.00 25.58 O +HETATM 1778 O HOH D 47 -4.811 6.292 28.969 1.00 26.70 O +HETATM 1779 O HOH D 48 -2.988 14.537 18.855 1.00 32.73 O +HETATM 1780 O HOH D 49 1.841 12.670 19.570 1.00 26.41 O +HETATM 1781 O HOH D 50 -3.161 6.775 22.712 1.00 21.48 O +HETATM 1782 O HOH D 51 -5.990 2.431 27.832 1.00 29.06 O +HETATM 1783 O HOH D 52 9.355 -1.870 44.707 1.00 34.24 O +HETATM 1784 O HOH D 53 0.000 0.000 40.126 0.33 35.31 O +HETATM 1785 O HOH D 54 19.681 9.968 44.239 1.00 58.61 O +HETATM 1786 O HOH D 55 11.308 7.398 38.834 1.00 35.23 O +HETATM 1787 O HOH D 56 13.515 2.284 44.513 1.00 38.05 O +HETATM 1788 O HOH E 23 19.132 10.418 56.864 1.00 17.46 O +HETATM 1789 O HOH E 24 20.698 11.691 65.654 1.00 33.57 O +HETATM 1790 O HOH E 25 16.107 9.917 56.983 1.00 22.27 O +HETATM 1791 O HOH E 26 20.594 14.664 62.646 1.00 25.85 O +HETATM 1792 O HOH E 27 25.745 8.208 65.896 1.00 33.48 O +HETATM 1793 O HOH E 28 22.897 12.649 68.336 1.00 51.19 O +HETATM 1794 O HOH E 29 23.692 7.169 61.822 1.00 20.50 O +HETATM 1795 O HOH E 30 17.189 -7.515 60.414 1.00 37.14 O +HETATM 1796 O HOH E 31 11.492 -7.499 60.019 1.00 21.70 O +HETATM 1797 O HOH E 32 26.132 11.623 67.014 1.00 34.53 O +HETATM 1798 O HOH E 33 24.250 6.718 69.948 1.00 52.59 O +HETATM 1799 O HOH E 34 20.356 3.562 55.796 0.50 23.85 O +HETATM 1800 O HOH E 35 19.467 7.547 53.704 1.00 28.59 O +HETATM 1801 O HOH E 36 21.553 -7.833 58.386 1.00 46.22 O +HETATM 1802 O HOH E 37 19.763 -12.519 58.119 1.00 54.54 O +HETATM 1803 O HOH F 40 14.151 4.653 70.826 1.00 18.08 O +HETATM 1804 O HOH F 41 13.145 10.403 54.524 1.00 25.40 O +HETATM 1805 O HOH F 42 2.861 0.728 67.019 1.00 48.98 O +HETATM 1806 O HOH F 43 -2.502 1.961 46.432 1.00 32.62 O +HETATM 1807 O HOH F 44 15.065 9.890 59.413 1.00 24.65 O +HETATM 1808 O HOH F 45 14.475 14.653 62.261 1.00 29.44 O +HETATM 1809 O HOH F 46 4.028 12.483 56.282 1.00 46.82 O +HETATM 1810 O HOH F 47 -3.560 6.840 48.104 1.00 21.90 O +HETATM 1811 O HOH F 48 -1.196 13.751 50.287 1.00 29.54 O +HETATM 1812 O HOH F 49 -1.841 9.363 48.206 1.00 38.54 O +HETATM 1813 O HOH F 50 12.959 4.274 74.138 1.00 37.43 O +HETATM 1814 O HOH F 51 0.000 0.000 46.285 0.33 53.07 O +HETATM 1815 O HOH F 52 21.801 7.521 75.363 1.00 49.65 O +HETATM 1816 O HOH F 53 2.637 14.420 48.280 1.00 54.66 O +HETATM 1817 O HOH F 54 6.406 10.168 56.701 1.00 29.05 O +HETATM 1818 O HOH F 55 -0.710 8.784 61.555 1.00 27.16 O +HETATM 1819 O HOH G 23 5.232 20.030 75.975 1.00 25.28 O +HETATM 1820 O HOH G 24 12.404 17.076 67.415 1.00 18.33 O +HETATM 1821 O HOH G 25 -0.735 24.413 67.048 1.00 20.13 O +HETATM 1822 O HOH G 26 -1.111 9.355 84.491 1.00 25.41 O +HETATM 1823 O HOH G 27 2.966 26.808 70.264 1.00 17.86 O +HETATM 1824 O HOH G 28 2.379 18.077 81.040 1.00 43.09 O +HETATM 1825 O HOH G 29 1.812 23.628 70.227 1.00 18.90 O +HETATM 1826 O HOH G 30 5.561 24.665 67.900 1.00 33.89 O +HETATM 1827 O HOH G 31 8.351 17.328 82.779 1.00 41.46 O +HETATM 1828 O HOH G 32 2.839 21.714 79.316 1.00 21.68 O +HETATM 1829 O HOH G 33 11.001 17.755 78.517 1.00 35.39 O +HETATM 1830 O HOH G 34 -2.979 12.792 82.732 1.00 20.82 O +HETATM 1831 O HOH G 35 -7.878 20.291 69.515 1.00 34.85 O +HETATM 1832 O HOH G 36 -5.060 16.548 71.845 1.00 32.47 O +HETATM 1833 O HOH G 37 0.040 25.332 63.649 1.00 28.63 O +HETATM 1834 O HOH G 38 -3.103 18.501 78.913 1.00 26.71 O +HETATM 1835 O HOH G 39 10.907 21.128 75.028 1.00 51.10 O +HETATM 1836 O HOH G 40 -2.114 20.021 67.019 1.00 46.41 O +HETATM 1837 O HOH G 41 18.870 19.477 65.362 1.00 35.16 O +HETATM 1838 O HOH G 42 3.812 16.037 82.933 1.00 29.33 O +HETATM 1839 O HOH G 43 -4.562 16.374 77.652 1.00 47.70 O +HETATM 1840 O HOH G 44 16.936 20.763 63.546 1.00 52.07 O +HETATM 1841 O HOH G 45 13.649 22.338 60.957 1.00 48.60 O +HETATM 1842 O HOH G 46 4.124 24.125 70.145 1.00 27.79 O +HETATM 1843 O HOH G 47 -0.293 20.691 64.468 1.00 46.71 O +HETATM 1844 O HOH G 48 7.852 22.812 67.795 1.00 27.00 O +HETATM 1845 O HOH G 49 -7.680 14.146 76.249 1.00 46.02 O +HETATM 1846 O HOH G 50 -2.322 12.723 72.963 1.00 29.04 O +HETATM 1847 O HOH G 51 12.047 12.384 80.882 1.00 32.05 O +HETATM 1848 O HOH G 52 10.681 17.408 81.356 1.00 36.40 O +HETATM 1849 O HOH H 40 12.513 14.380 75.003 1.00 15.41 O +HETATM 1850 O HOH H 41 2.296 2.300 86.064 1.00 23.77 O +HETATM 1851 O HOH H 42 -0.624 4.930 69.263 1.00 35.52 O +HETATM 1852 O HOH H 43 5.572 -2.033 84.040 1.00 19.69 O +HETATM 1853 O HOH H 44 12.092 13.601 72.362 1.00 18.07 O +HETATM 1854 O HOH H 45 6.733 13.573 61.646 1.00 26.79 O +HETATM 1855 O HOH H 46 11.830 15.774 70.498 1.00 25.12 O +HETATM 1856 O HOH H 47 0.000 0.000 85.908 0.33 20.53 O +HETATM 1857 O HOH H 48 -2.520 -2.578 85.921 1.00 28.92 O +HETATM 1858 O HOH H 49 -2.502 6.940 62.502 1.00 24.51 O +HETATM 1859 O HOH H 50 7.876 0.726 87.563 1.00 23.35 O +HETATM 1860 O HOH H 51 -2.823 0.598 69.809 1.00 34.61 O +HETATM 1861 O HOH H 52 -1.498 14.931 58.510 1.00 32.63 O +HETATM 1862 O HOH H 53 -0.994 4.811 63.107 1.00 28.58 O +HETATM 1863 O HOH H 54 12.345 11.814 78.287 1.00 22.63 O +HETATM 1864 O HOH H 55 13.148 -0.805 85.342 1.00 27.29 O +HETATM 1865 O HOH H 56 13.139 1.131 81.981 1.00 34.74 O +HETATM 1866 O HOH H 57 -1.806 8.178 64.849 1.00 23.89 O +HETATM 1867 O HOH H 58 14.002 16.627 75.060 1.00 35.26 O +HETATM 1868 O HOH H 59 11.353 5.616 75.248 1.00 33.51 O +CONECT 43 76 +CONECT 49 223 +CONECT 76 43 +CONECT 154 315 +CONECT 223 49 +CONECT 243 1626 +CONECT 315 154 +CONECT 405 1628 +CONECT 450 483 +CONECT 456 630 +CONECT 483 450 +CONECT 561 723 +CONECT 597 1689 +CONECT 630 456 +CONECT 650 1650 +CONECT 723 561 +CONECT 808 1652 +CONECT 853 886 +CONECT 859 1033 +CONECT 886 853 +CONECT 964 1126 +CONECT 1033 859 +CONECT 1053 1674 +CONECT 1126 964 +CONECT 1211 1676 +CONECT 1256 1289 +CONECT 1262 1439 +CONECT 1289 1256 +CONECT 1370 1531 +CONECT 1439 1262 +CONECT 1459 1698 +CONECT 1531 1370 +CONECT 1616 1700 +CONECT 1619 1620 1624 1625 +CONECT 1620 1619 1621 +CONECT 1621 1620 1622 +CONECT 1622 1621 1623 +CONECT 1623 1622 1624 +CONECT 1624 1619 1623 +CONECT 1625 1619 +CONECT 1626 243 1627 +CONECT 1627 1626 +CONECT 1628 405 1629 1630 +CONECT 1629 1628 +CONECT 1630 1628 1631 +CONECT 1631 1630 1632 +CONECT 1632 1631 1633 +CONECT 1633 1632 1634 +CONECT 1634 1633 1635 +CONECT 1635 1634 1636 +CONECT 1636 1635 1637 +CONECT 1637 1636 1638 +CONECT 1638 1637 1639 +CONECT 1639 1638 1640 +CONECT 1640 1639 1641 +CONECT 1641 1640 1642 +CONECT 1642 1641 +CONECT 1643 1644 1648 1649 +CONECT 1644 1643 1645 +CONECT 1645 1644 1646 +CONECT 1646 1645 1647 +CONECT 1647 1646 1648 +CONECT 1648 1643 1647 +CONECT 1649 1643 +CONECT 1650 650 1651 +CONECT 1651 1650 +CONECT 1652 808 1653 1654 +CONECT 1653 1652 +CONECT 1654 1652 1655 +CONECT 1655 1654 1656 +CONECT 1656 1655 1657 +CONECT 1657 1656 1658 +CONECT 1658 1657 1659 +CONECT 1659 1658 1660 +CONECT 1660 1659 1661 +CONECT 1661 1660 1662 +CONECT 1662 1661 1663 +CONECT 1663 1662 1664 +CONECT 1664 1663 1665 +CONECT 1665 1664 1666 +CONECT 1666 1665 +CONECT 1667 1668 1672 1673 +CONECT 1668 1667 1669 +CONECT 1669 1668 1670 +CONECT 1670 1669 1671 +CONECT 1671 1670 1672 +CONECT 1672 1667 1671 +CONECT 1673 1667 +CONECT 1674 1053 1675 +CONECT 1675 1674 +CONECT 1676 1211 1677 1678 +CONECT 1677 1676 +CONECT 1678 1676 1679 +CONECT 1679 1678 1680 +CONECT 1680 1679 1681 +CONECT 1681 1680 1682 +CONECT 1682 1681 1683 +CONECT 1683 1682 1684 +CONECT 1684 1683 1685 +CONECT 1685 1684 1686 +CONECT 1686 1685 1687 +CONECT 1687 1686 1688 +CONECT 1688 1687 1689 +CONECT 1689 597 1688 1690 +CONECT 1690 1689 +CONECT 1691 1692 1696 1697 +CONECT 1692 1691 1693 +CONECT 1693 1692 1694 +CONECT 1694 1693 1695 +CONECT 1695 1694 1696 +CONECT 1696 1691 1695 +CONECT 1697 1691 +CONECT 1698 1459 1699 +CONECT 1699 1698 +CONECT 1700 1616 1701 1702 +CONECT 1701 1700 +CONECT 1702 1700 1703 +CONECT 1703 1702 1704 +CONECT 1704 1703 1705 +CONECT 1705 1704 1706 +CONECT 1706 1705 1707 +CONECT 1707 1706 1708 +CONECT 1708 1707 1709 +CONECT 1709 1708 1710 +CONECT 1710 1709 1711 +CONECT 1711 1710 1712 +CONECT 1712 1711 1713 +CONECT 1713 1712 1714 +CONECT 1714 1713 +MASTER 640 0 16 12 4 0 21 6 1860 8 129 20 +END diff --git a/tests/integration/files/1xda_output.pdb b/tests/integration/files/1xda_output.pdb new file mode 100644 index 00000000..9e5eeb2b --- /dev/null +++ b/tests/integration/files/1xda_output.pdb @@ -0,0 +1,2125 @@ +HEADER HORMONE 18-DEC-96 1XDA +TITLE STRUCTURE OF INSULIN +SOURCE ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 2 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; +KEYWDS HORMONE, METABOLIC ROLE, CHEMICAL ACTIVITY, INSULIN ALBUMIN, FATTY +KEYWDS 2 ACID, GLUCOSE METABOLISM, DIABETES +EXPDTA X-RAY DIFFRACTION +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 R VALUE (WORKING SET) : 0.174 +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1720 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 3980 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -7.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1870 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4400 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -2.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 3 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1160 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4110 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -11.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 4 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1650 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4240 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -7.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 5 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 21680 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 12240 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -332.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 6 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 23900 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 12440 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -287.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 7 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 7540 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 9770 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -137.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 8 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 5500 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10530 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -156.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 9 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 7450 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10440 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -149.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 10 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 8150 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10880 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -129.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 11 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 4530 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 6630 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 12 +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 5190 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 6770 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -14.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +SEQRES 1 A 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 A 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 B 29 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 B 29 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 B 29 THR PRO LYS +SEQRES 1 C 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 C 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 D 29 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 D 29 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 D 29 THR PRO LYS +SEQRES 1 E 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 E 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 F 29 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 F 29 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 F 29 THR PRO LYS +SEQRES 1 G 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 G 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 H 29 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 H 29 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 H 29 THR PRO LYS +ATOM 1 N GLY A 1 16.136 11.725 12.834 1.00 17.65 N +ATOM 2 CA GLY A 1 15.678 11.530 14.248 1.00 17.04 C +ATOM 3 C GLY A 1 15.003 10.161 14.405 1.00 15.71 C +ATOM 4 O GLY A 1 15.117 9.292 13.515 1.00 13.87 O +ATOM 5 N ILE A 2 14.584 9.867 15.647 1.00 12.1 N +ATOM 6 CA ILE A 2 14.151 8.496 15.928 1.00 11.63 C +ATOM 7 C ILE A 2 12.987 8.047 15.058 1.00 12.04 C +ATOM 8 O ILE A 2 12.898 6.812 14.823 1.00 14.49 O +ATOM 9 CB ILE A 2 13.755 8.394 17.452 1.00 11.35 C +ATOM 10 CG1 ILE A 2 13.524 6.929 17.856 1.00 11.8 C +ATOM 11 CG2 ILE A 2 12.560 9.298 17.662 1.00 12.0 C +ATOM 12 CD1 ILE A 2 13.207 6.828 19.365 1.00 14.08 C +ATOM 13 N VAL A 3 12.115 8.972 14.616 1.00 12.36 N +ATOM 14 CA VAL A 3 10.970 8.445 13.804 1.00 13.86 C +ATOM 15 C VAL A 3 11.466 7.958 12.434 1.00 13.85 C +ATOM 16 O VAL A 3 11.128 6.838 11.999 1.00 14.81 O +ATOM 17 CB VAL A 3 9.852 9.481 13.600 1.00 15.4 C +ATOM 18 CG1 VAL A 3 8.778 8.973 12.627 1.00 17.07 C +ATOM 19 CG2 VAL A 3 9.231 9.811 14.970 1.00 17.19 C +ATOM 20 N GLU A 4 12.387 8.729 11.847 1.00 16.88 N +ATOM 21 CA GLU A 4 12.904 8.278 10.537 1.00 18.55 C +ATOM 22 C GLU A 4 13.709 6.990 10.699 1.00 17.52 C +ATOM 23 O GLU A 4 13.616 6.077 9.873 1.00 20.96 O +ATOM 24 CB GLU A 4 13.754 9.383 9.902 1.00 22.78 C +ATOM 25 CG GLU A 4 14.209 10.424 10.926 1.00 28.33 C +ATOM 26 CD GLU A 4 13.186 11.500 11.198 1.00 28.65 C +ATOM 27 OE1 GLU A 4 12.781 12.147 10.188 1.00 31.42 O +ATOM 28 OE2 GLU A 4 12.790 11.703 12.370 1.00 29.63 O +ATOM 29 N GLN A 5 14.498 6.869 11.770 1.00 14.63 N +ATOM 30 CA GLN A 5 15.335 5.681 11.874 1.00 12.63 C +ATOM 31 C GLN A 5 14.541 4.448 12.359 1.00 12.41 C +ATOM 32 O GLN A 5 14.822 3.313 11.997 1.00 12.36 O +ATOM 33 CB GLN A 5 16.460 6.002 12.849 1.00 14.7 C +ATOM 34 CG GLN A 5 16.771 4.851 13.792 1.00 20.0 C +ATOM 35 CD GLN A 5 18.103 4.263 13.420 1.00 20.0 C +ATOM 36 OE1 GLN A 5 19.077 4.309 14.151 1.00 20.0 O +ATOM 37 NE2 GLN A 5 18.114 3.675 12.207 1.00 20.0 N +ATOM 38 N CYS A 6 13.586 4.581 13.276 1.00 10.69 N +ATOM 39 CA CYS A 6 13.000 3.437 13.972 1.00 9.47 C +ATOM 40 C CYS A 6 11.541 3.200 13.596 1.00 9.64 C +ATOM 41 O CYS A 6 10.957 2.209 14.083 1.00 11.05 O +ATOM 42 CB CYS A 6 13.142 3.658 15.512 1.00 9.19 C +ATOM 43 SG CYS A 6 14.911 3.743 15.963 1.00 14.06 S +ATOM 44 N CYS A 7 10.938 4.036 12.739 1.00 8.37 N +ATOM 45 CA CYS A 7 9.574 3.667 12.283 1.00 10.19 C +ATOM 46 C CYS A 7 9.657 3.110 10.844 1.00 12.79 C +ATOM 47 O CYS A 7 8.666 2.528 10.396 1.00 13.44 O +ATOM 48 CB CYS A 7 8.559 4.784 12.348 1.00 10.3 C +ATOM 49 SG CYS A 7 8.195 5.295 14.066 1.00 12.52 S +ATOM 50 N THR A 8 10.842 3.331 10.227 1.00 13.17 N +ATOM 51 CA THR A 8 10.901 2.797 8.834 1.00 15.6 C +ATOM 52 C THR A 8 11.576 1.445 8.838 1.00 15.93 C +ATOM 53 O THR A 8 11.535 0.639 7.907 1.00 18.87 O +ATOM 54 CB THR A 8 11.709 3.744 7.929 1.00 15.06 C +ATOM 55 OG1 THR A 8 13.005 3.884 8.517 1.00 15.52 O +ATOM 56 CG2 THR A 8 11.049 5.115 7.838 1.00 15.53 C +ATOM 57 N SER A 9 12.272 1.116 9.923 1.00 14.92 N +ATOM 58 CA SER A 9 13.004 -0.113 10.144 1.00 15.64 C +ATOM 59 C SER A 9 12.938 -0.526 11.614 1.00 14.28 C +ATOM 60 O SER A 9 12.867 0.438 12.394 1.00 14.26 O +ATOM 61 CB SER A 9 14.495 0.169 9.792 1.00 19.85 C +ATOM 62 OG SER A 9 15.044 -1.029 9.296 1.00 24.71 O +ATOM 63 N ILE A 10 12.962 -1.783 12.004 1.00 13.14 N +ATOM 64 CA ILE A 10 12.929 -2.070 13.460 1.00 13.66 C +ATOM 65 C ILE A 10 14.282 -1.768 14.108 1.00 17.02 C +ATOM 66 O ILE A 10 15.326 -2.280 13.670 1.00 20.21 O +ATOM 67 CB ILE A 10 12.549 -3.533 13.761 1.00 15.45 C +ATOM 68 CG1 ILE A 10 11.143 -3.815 13.198 1.00 14.8 C +ATOM 69 CG2 ILE A 10 12.573 -3.829 15.269 1.00 17.9 C +ATOM 70 CD1 ILE A 10 10.825 -5.321 13.086 1.00 11.84 C +ATOM 71 N CYS A 11 14.295 -0.954 15.160 1.00 12.01 N +ATOM 72 CA CYS A 11 15.499 -0.647 15.900 1.00 11.95 C +ATOM 73 C CYS A 11 15.736 -1.652 17.042 1.00 12.35 C +ATOM 74 O CYS A 11 14.773 -1.902 17.769 1.00 13.66 O +ATOM 75 CB CYS A 11 15.365 0.759 16.514 1.00 12.99 C +ATOM 76 SG CYS A 11 15.699 2.036 15.237 1.00 13.4 S +ATOM 77 N SER A 12 16.964 -2.139 17.104 1.00 13.65 N +ATOM 78 CA SER A 12 17.348 -3.003 18.224 1.00 13.9 C +ATOM 79 C SER A 12 17.360 -2.178 19.513 1.00 14.65 C +ATOM 80 O SER A 12 17.403 -0.929 19.528 1.00 13.84 O +ATOM 81 CB SER A 12 18.773 -3.553 17.968 1.00 14.53 C +ATOM 82 OG SER A 12 19.725 -2.468 17.995 1.00 15.34 O +ATOM 83 N LEU A 13 17.455 -2.872 20.651 1.00 13.76 N +ATOM 84 CA LEU A 13 17.591 -2.125 21.913 1.00 17.9 C +ATOM 85 C LEU A 13 18.869 -1.297 21.942 1.00 16.04 C +ATOM 86 O LEU A 13 18.845 -0.196 22.500 1.00 15.43 O +ATOM 87 CB LEU A 13 17.603 -3.099 23.113 1.00 21.84 C +ATOM 88 CG LEU A 13 16.226 -3.780 23.286 1.00 21.86 C +ATOM 89 CD1 LEU A 13 15.075 -2.818 23.359 1.00 26.85 C +ATOM 90 CD2 LEU A 13 16.100 -4.730 22.087 1.00 26.4 C +ATOM 91 N TYR A 14 19.942 -1.796 21.288 1.00 16.96 N +ATOM 92 CA TYR A 14 21.174 -1.028 21.231 1.00 17.78 C +ATOM 93 C TYR A 14 20.997 0.270 20.432 1.00 17.27 C +ATOM 94 O TYR A 14 21.516 1.323 20.787 1.00 16.54 O +ATOM 95 CB TYR A 14 22.245 -1.908 20.587 1.00 20.45 C +ATOM 96 CG TYR A 14 23.590 -1.316 20.804 1.00 20.0 C +ATOM 97 CD1 TYR A 14 24.092 -1.178 22.095 1.00 20.0 C +ATOM 98 CD2 TYR A 14 24.359 -0.897 19.718 1.00 20.0 C +ATOM 99 CE1 TYR A 14 25.349 -0.631 22.299 1.00 20.0 C +ATOM 100 CE2 TYR A 14 25.614 -0.352 19.922 1.00 20.0 C +ATOM 101 CZ TYR A 14 26.109 -0.217 21.203 1.00 20.0 C +ATOM 102 OH TYR A 14 27.369 0.308 21.409 1.00 20.0 O +ATOM 103 N GLN A 15 20.206 0.236 19.350 1.00 16.67 N +ATOM 104 CA GLN A 15 19.929 1.427 18.560 1.00 15.78 C +ATOM 105 C GLN A 15 19.024 2.389 19.315 1.00 16.11 C +ATOM 106 O GLN A 15 19.187 3.607 19.168 1.00 16.75 O +ATOM 107 CB GLN A 15 19.227 1.062 17.233 1.00 16.68 C +ATOM 108 CG GLN A 15 20.271 0.432 16.282 1.00 20.7 C +ATOM 109 CD GLN A 15 19.486 -0.066 15.059 1.00 21.67 C +ATOM 110 OE1 GLN A 15 18.738 -1.028 15.144 1.00 20.0 O +ATOM 111 NE2 GLN A 15 19.653 0.712 13.990 1.00 24.27 N +ATOM 112 N LEU A 16 18.086 1.821 20.112 1.00 13.62 N +ATOM 113 CA LEU A 16 17.148 2.665 20.852 1.00 11.92 C +ATOM 114 C LEU A 16 17.936 3.459 21.912 1.00 11.52 C +ATOM 115 O LEU A 16 17.560 4.599 22.177 1.00 10.72 O +ATOM 116 CB LEU A 16 16.049 1.866 21.512 1.00 12.88 C +ATOM 117 CG LEU A 16 14.606 1.587 21.080 1.00 18.06 C +ATOM 118 CD1 LEU A 16 14.229 2.289 19.760 1.00 16.76 C +ATOM 119 CD2 LEU A 16 14.279 0.101 21.063 1.00 16.24 C +ATOM 120 N GLU A 17 19.020 2.848 22.385 1.00 13.23 N +ATOM 121 CA GLU A 17 19.847 3.522 23.409 1.00 16.68 C +ATOM 122 C GLU A 17 20.484 4.820 22.921 1.00 16.74 C +ATOM 123 O GLU A 17 20.820 5.689 23.762 1.00 14.43 O +ATOM 124 CB GLU A 17 21.010 2.612 23.848 1.00 19.71 C +ATOM 125 CG GLU A 17 20.645 1.591 24.886 1.00 26.31 C +ATOM 126 CD GLU A 17 21.852 1.039 25.649 1.00 28.98 C +ATOM 127 OE1 GLU A 17 22.696 1.815 26.171 1.00 30.29 O +ATOM 128 OE2 GLU A 17 21.871 -0.210 25.718 1.00 31.58 O +ATOM 129 N ASN A 18 20.446 5.027 21.598 1.00 15.95 N +ATOM 130 CA ASN A 18 20.925 6.334 21.077 1.00 16.2 C +ATOM 131 C ASN A 18 20.106 7.550 21.494 1.00 14.93 C +ATOM 132 O ASN A 18 20.547 8.727 21.332 1.00 13.5 O +ATOM 133 CB ASN A 18 20.997 6.270 19.537 1.00 18.4 C +ATOM 134 CG ASN A 18 22.179 5.360 19.129 1.00 21.13 C +ATOM 135 OD1 ASN A 18 22.205 4.787 18.043 1.00 24.99 O +ATOM 136 ND2 ASN A 18 23.166 5.201 19.992 1.00 20.37 N +ATOM 137 N TYR A 19 18.861 7.353 21.899 1.00 11.33 N +ATOM 138 CA TYR A 19 17.934 8.411 22.262 1.00 12.21 C +ATOM 139 C TYR A 19 17.772 8.537 23.776 1.00 13.22 C +ATOM 140 O TYR A 19 16.907 9.285 24.246 1.00 13.88 O +ATOM 141 CB TYR A 19 16.560 8.216 21.541 1.00 11.81 C +ATOM 142 CG TYR A 19 16.866 8.122 20.045 1.00 13.55 C +ATOM 143 CD1 TYR A 19 17.069 9.297 19.330 1.00 14.46 C +ATOM 144 CD2 TYR A 19 16.942 6.885 19.405 1.00 12.54 C +ATOM 145 CE1 TYR A 19 17.345 9.228 17.972 1.00 14.52 C +ATOM 146 CE2 TYR A 19 17.241 6.810 18.046 1.00 14.84 C +ATOM 147 CZ TYR A 19 17.450 7.997 17.364 1.00 13.99 C +ATOM 148 OH TYR A 19 17.711 7.962 16.001 1.00 14.09 O +ATOM 149 N CYS A 20 18.669 7.882 24.530 1.00 11.31 N +ATOM 150 CA CYS A 20 18.623 8.048 25.981 1.00 13.0 C +ATOM 151 C CYS A 20 19.297 9.382 26.340 1.00 15.84 C +ATOM 152 O CYS A 20 20.184 9.842 25.600 1.00 15.62 O +ATOM 153 CB CYS A 20 19.353 6.899 26.673 1.00 11.45 C +ATOM 154 SG CYS A 20 18.656 5.266 26.472 1.00 12.8 S +ATOM 155 N ASN A 21 19.032 9.926 27.510 1.00 17.01 N +ATOM 156 CA ASN A 21 19.796 11.059 28.026 1.00 20.29 C +ATOM 157 C ASN A 21 21.152 10.583 28.556 1.00 20.79 C +ATOM 158 O ASN A 21 21.976 11.489 28.780 1.00 24.58 O +ATOM 159 CB ASN A 21 19.013 11.770 29.139 1.00 19.58 C +ATOM 160 CG ASN A 21 17.675 12.323 28.668 1.00 22.6 C +ATOM 161 OD1 ASN A 21 17.553 12.806 27.533 1.00 21.56 O +ATOM 162 ND2 ASN A 21 16.665 12.245 29.543 1.00 22.16 N +ATOM 163 OXT ASN A 21 21.446 9.377 28.733 1.00 22.26 O +ATOM 165 N PHE B 1 -0.033 11.515 9.458 1.00 19.34 N +ATOM 166 CA PHE B 1 0.153 10.071 9.367 1.00 18.96 C +ATOM 167 C PHE B 1 -0.308 9.365 10.653 1.00 17.67 C +ATOM 168 O PHE B 1 0.392 9.326 11.656 1.00 17.24 O +ATOM 169 CB PHE B 1 1.651 9.795 9.108 1.00 21.72 C +ATOM 170 CG PHE B 1 1.821 8.451 8.442 1.00 23.7 C +ATOM 171 CD1 PHE B 1 0.774 7.536 8.473 1.00 23.34 C +ATOM 172 CD2 PHE B 1 3.020 8.120 7.812 1.00 22.97 C +ATOM 173 CE1 PHE B 1 0.925 6.283 7.875 1.00 23.06 C +ATOM 174 CE2 PHE B 1 3.159 6.855 7.215 1.00 22.19 C +ATOM 175 CZ PHE B 1 2.110 5.938 7.245 1.00 22.46 C +ATOM 176 N VAL B 2 -1.465 8.695 10.707 1.00 15.79 N +ATOM 177 CA VAL B 2 -1.823 7.965 11.918 1.00 13.29 C +ATOM 178 C VAL B 2 -0.812 6.867 12.251 1.00 13.74 C +ATOM 179 O VAL B 2 -0.485 6.689 13.427 1.00 11.95 O +ATOM 180 CB VAL B 2 -3.243 7.356 11.788 1.00 13.01 C +ATOM 181 CG1 VAL B 2 -3.633 6.415 12.917 1.00 14.19 C +ATOM 182 CG2 VAL B 2 -4.260 8.510 11.752 1.00 15.11 C +ATOM 183 N ASN B 3 -0.357 6.133 11.224 1.00 14.18 N +ATOM 184 CA ASN B 3 0.548 4.980 11.509 1.00 13.32 C +ATOM 185 C ASN B 3 1.841 5.498 12.121 1.00 11.2 C +ATOM 186 O ASN B 3 2.437 4.860 13.011 1.00 10.96 O +ATOM 187 CB ASN B 3 0.761 4.192 10.214 1.00 14.45 C +ATOM 188 CG ASN B 3 0.890 2.687 10.289 1.00 17.66 C +ATOM 189 OD1 ASN B 3 0.425 1.900 9.435 1.00 20.23 O +ATOM 190 ND2 ASN B 3 1.576 2.174 11.315 1.00 17.64 N +ATOM 191 N GLN B 4 2.270 6.702 11.749 1.00 11.43 N +ATOM 192 CA GLN B 4 3.440 7.323 12.410 1.00 14.24 C +ATOM 193 C GLN B 4 3.103 7.668 13.869 1.00 14.06 C +ATOM 194 O GLN B 4 3.919 7.484 14.805 1.00 13.65 O +ATOM 195 CB GLN B 4 3.796 8.563 11.614 1.00 18.74 C +ATOM 196 CG GLN B 4 5.061 9.275 12.039 1.00 20.38 C +ATOM 197 CD GLN B 4 5.386 10.510 11.206 1.00 22.18 C +ATOM 198 OE1 GLN B 4 5.960 11.467 11.756 1.00 23.69 O +ATOM 199 NE2 GLN B 4 5.068 10.538 9.917 1.00 21.45 N +ATOM 200 N HIS B 5 1.880 8.145 14.102 1.00 11.14 N +ATOM 201 CA HIS B 5 1.461 8.472 15.485 1.00 11.74 C +ATOM 202 C HIS B 5 1.475 7.197 16.320 1.00 11.12 C +ATOM 203 O HIS B 5 1.981 7.138 17.458 1.00 11.68 O +ATOM 204 CB HIS B 5 0.032 9.070 15.452 1.00 13.62 C +ATOM 205 CG HIS B 5 -0.316 9.467 16.869 1.00 16.74 C +ATOM 206 ND1 HIS B 5 -1.095 8.671 17.694 1.00 19.54 N +ATOM 207 CD2 HIS B 5 0.097 10.555 17.564 1.00 15.02 C +ATOM 208 CE1 HIS B 5 -1.166 9.262 18.891 1.00 18.24 C +ATOM 209 NE2 HIS B 5 -0.473 10.394 18.823 1.00 19.55 N +ATOM 210 N LEU B 6 0.961 6.117 15.749 1.00 8.37 N +ATOM 211 CA LEU B 6 0.937 4.810 16.424 1.00 10.5 C +ATOM 212 C LEU B 6 2.364 4.315 16.720 1.00 10.72 C +ATOM 213 O LEU B 6 2.741 3.899 17.828 1.00 10.53 O +ATOM 214 CB LEU B 6 0.167 3.708 15.661 1.00 9.52 C +ATOM 215 CG LEU B 6 -1.289 4.130 15.338 1.00 12.83 C +ATOM 216 CD1 LEU B 6 -2.013 2.909 14.734 1.00 13.07 C +ATOM 217 CD2 LEU B 6 -2.017 4.638 16.561 1.00 10.54 C +ATOM 218 N CYS B 7 3.250 4.393 15.712 1.00 8.35 N +ATOM 219 CA CYS B 7 4.647 3.967 15.938 1.00 9.68 C +ATOM 220 C CYS B 7 5.298 4.733 17.085 1.00 9.45 C +ATOM 221 O CYS B 7 5.967 4.122 17.931 1.00 10.15 O +ATOM 222 CB CYS B 7 5.469 4.173 14.647 1.00 11.12 C +ATOM 223 SG CYS B 7 7.239 3.705 14.800 1.00 12.93 S +ATOM 224 N GLY B 8 5.087 6.043 17.198 1.00 11.65 N +ATOM 225 CA GLY B 8 5.775 6.903 18.172 1.00 9.7 C +ATOM 226 C GLY B 8 5.355 6.461 19.584 1.00 11.09 C +ATOM 227 O GLY B 8 6.165 6.533 20.515 1.00 10.51 O +ATOM 228 N SER B 9 4.113 6.065 19.746 1.00 8.67 N +ATOM 229 CA SER B 9 3.607 5.641 21.062 1.00 9.62 C +ATOM 230 C SER B 9 4.432 4.455 21.524 1.00 10.47 C +ATOM 231 O SER B 9 4.895 4.387 22.674 1.00 10.51 O +ATOM 232 CB SER B 9 2.118 5.259 20.986 1.00 12.29 C +ATOM 233 OG SER B 9 1.748 4.529 22.145 1.00 18.65 O +ATOM 234 N HIS B 10 4.670 3.491 20.620 1.00 8.44 N +ATOM 235 CA HIS B 10 5.480 2.312 20.941 1.00 10.29 C +ATOM 236 C HIS B 10 6.971 2.620 21.124 1.00 11.47 C +ATOM 237 O HIS B 10 7.637 2.063 22.025 1.00 9.73 O +ATOM 238 CB HIS B 10 5.317 1.243 19.846 1.00 10.66 C +ATOM 239 CG HIS B 10 3.953 0.612 19.876 1.00 11.92 C +ATOM 240 ND1 HIS B 10 3.669 -0.469 20.702 1.00 12.99 N +ATOM 241 CD2 HIS B 10 2.821 0.905 19.205 1.00 9.26 C +ATOM 242 CE1 HIS B 10 2.374 -0.815 20.502 1.00 13.9 C +ATOM 243 NE2 HIS B 10 1.845 0.006 19.593 1.00 10.16 N +ATOM 244 N LEU B 11 7.493 3.622 20.412 1.00 7.87 N +ATOM 245 CA LEU B 11 8.864 4.061 20.592 1.00 8.1 C +ATOM 246 C LEU B 11 9.069 4.661 22.001 1.00 8.76 C +ATOM 247 O LEU B 11 10.069 4.295 22.597 1.00 8.91 O +ATOM 248 CB LEU B 11 9.251 5.229 19.639 1.00 9.66 C +ATOM 249 CG LEU B 11 9.559 4.763 18.199 1.00 10.94 C +ATOM 250 CD1 LEU B 11 9.847 6.006 17.349 1.00 11.89 C +ATOM 251 CD2 LEU B 11 10.730 3.793 18.158 1.00 11.9 C +ATOM 252 N VAL B 12 8.105 5.480 22.430 1.00 9.62 N +ATOM 253 CA VAL B 12 8.293 6.093 23.764 1.00 9.79 C +ATOM 254 C VAL B 12 8.236 5.023 24.868 1.00 9.9 C +ATOM 255 O VAL B 12 9.055 5.099 25.793 1.00 10.58 O +ATOM 256 CB VAL B 12 7.249 7.222 23.975 1.00 11.32 C +ATOM 257 CG1 VAL B 12 7.518 8.391 23.024 1.00 10.13 C +ATOM 259 CG2 VAL B 12 5.813 6.725 23.856 1.00 10.4 C +ATOM 261 N GLU B 13 7.394 4.015 24.738 1.00 10.16 N +ATOM 262 CA GLU B 13 7.426 3.016 25.792 1.00 12.77 C +ATOM 263 C GLU B 13 8.700 2.162 25.754 1.00 12.34 C +ATOM 264 O GLU B 13 9.255 1.804 26.782 1.00 11.97 O +ATOM 265 CB GLU B 13 6.206 2.126 25.629 1.00 14.75 C +ATOM 266 CG GLU B 13 6.557 0.751 25.096 1.00 20.93 C +ATOM 267 CD GLU B 13 5.290 0.049 24.689 1.00 20.29 C +ATOM 268 OE1 GLU B 13 4.254 0.342 25.271 1.00 20.66 O +ATOM 269 OE2 GLU B 13 5.341 -0.786 23.789 1.00 18.33 O +ATOM 270 N ALA B 14 9.270 1.876 24.571 1.00 8.95 N +ATOM 271 CA ALA B 14 10.559 1.202 24.468 1.00 9.45 C +ATOM 272 C ALA B 14 11.700 2.058 25.026 1.00 8.61 C +ATOM 273 O ALA B 14 12.506 1.505 25.781 1.00 9.21 O +ATOM 274 CB ALA B 14 10.878 0.866 23.013 1.00 8.68 C +ATOM 275 N LEU B 15 11.707 3.360 24.766 1.00 6.52 N +ATOM 276 CA LEU B 15 12.729 4.255 25.324 1.00 8.05 C +ATOM 277 C LEU B 15 12.653 4.263 26.865 1.00 11.39 C +ATOM 278 O LEU B 15 13.682 4.249 27.533 1.00 10.27 O +ATOM 279 CB LEU B 15 12.502 5.691 24.845 1.00 8.99 C +ATOM 280 CG LEU B 15 12.915 5.876 23.349 1.00 10.04 C +ATOM 281 CD1 LEU B 15 12.727 7.371 23.033 1.00 10.13 C +ATOM 282 CD2 LEU B 15 14.313 5.373 23.032 1.00 11.22 C +ATOM 283 N TYR B 16 11.404 4.279 27.341 1.00 10.19 N +ATOM 284 CA TYR B 16 11.262 4.256 28.797 1.00 10.51 C +ATOM 285 C TYR B 16 11.929 3.059 29.421 1.00 11.51 C +ATOM 286 O TYR B 16 12.656 3.190 30.441 1.00 11.05 O +ATOM 287 CB TYR B 16 9.761 4.231 29.107 1.00 10.84 C +ATOM 288 CG TYR B 16 9.538 4.271 30.604 1.00 9.91 C +ATOM 289 CD1 TYR B 16 9.694 5.465 31.303 1.00 11.84 C +ATOM 290 CD2 TYR B 16 9.137 3.122 31.286 1.00 12.37 C +ATOM 291 CE1 TYR B 16 9.446 5.514 32.669 1.00 12.87 C +ATOM 292 CE2 TYR B 16 8.889 3.170 32.652 1.00 11.58 C +ATOM 293 CZ TYR B 16 9.039 4.358 33.341 1.00 11.87 C +ATOM 294 OH TYR B 16 8.761 4.421 34.690 1.00 11.68 O +ATOM 295 N LEU B 17 11.716 1.873 28.872 1.00 11.39 N +ATOM 296 CA LEU B 17 12.377 0.653 29.379 1.00 13.49 C +ATOM 297 C LEU B 17 13.885 0.633 29.153 1.00 14.17 C +ATOM 298 O LEU B 17 14.688 0.421 30.072 1.00 11.89 O +ATOM 299 CB LEU B 17 11.714 -0.566 28.715 1.00 15.58 C +ATOM 300 CG LEU B 17 12.324 -1.930 29.104 1.00 17.4 C +ATOM 301 CD1 LEU B 17 12.018 -2.194 30.560 1.00 20.55 C +ATOM 302 CD2 LEU B 17 11.788 -3.024 28.182 1.00 20.68 C +ATOM 303 N VAL B 18 14.311 0.930 27.933 1.00 13.18 N +ATOM 304 CA VAL B 18 15.743 0.854 27.609 1.00 12.73 C +ATOM 305 C VAL B 18 16.571 1.829 28.452 1.00 14.11 C +ATOM 306 O VAL B 18 17.675 1.440 28.854 1.00 13.65 O +ATOM 307 CB VAL B 18 15.937 1.107 26.107 1.00 14.19 C +ATOM 308 CG1 VAL B 18 17.391 1.331 25.712 1.00 14.36 C +ATOM 309 CG2 VAL B 18 15.347 -0.095 25.356 1.00 13.24 C +ATOM 310 N CYS B 19 16.078 3.043 28.652 1.00 13.28 N +ATOM 311 CA CYS B 19 16.930 4.103 29.170 1.00 13.5 C +ATOM 312 C CYS B 19 16.984 4.124 30.693 1.00 14.65 C +ATOM 313 O CYS B 19 18.018 4.664 31.120 1.00 16.63 O +ATOM 314 CB CYS B 19 16.490 5.494 28.682 1.00 11.09 C +ATOM 315 SG CYS B 19 16.665 5.541 26.839 1.00 11.99 S +ATOM 316 N GLY B 20 16.020 3.486 31.304 1.00 16.5 N +ATOM 317 CA GLY B 20 16.027 3.406 32.781 1.00 19.06 C +ATOM 318 C GLY B 20 16.206 4.780 33.423 1.00 19.58 C +ATOM 319 O GLY B 20 15.569 5.776 33.109 1.00 19.11 O +ATOM 320 N GLU B 21 17.132 4.787 34.480 1.00 22.9 N +ATOM 321 CA GLU B 21 17.263 6.015 35.250 1.00 24.69 C +ATOM 322 C GLU B 21 17.775 7.169 34.433 1.00 23.7 C +ATOM 323 O GLU B 21 17.605 8.362 34.853 1.00 23.35 O +ATOM 324 CB GLU B 21 18.229 5.733 36.419 1.00 27.38 C +ATOM 325 CG GLU B 21 17.704 4.644 37.373 1.00 32.25 C +ATOM 326 CD GLU B 21 18.709 4.388 38.486 1.00 36.41 C +ATOM 327 OE1 GLU B 21 18.844 5.227 39.366 1.00 37.51 O +ATOM 328 OE2 GLU B 21 19.348 3.337 38.465 1.00 39.69 O +ATOM 329 N ARG B 22 18.403 6.922 33.277 1.00 24.23 N +ATOM 330 CA ARG B 22 18.860 8.061 32.493 1.00 23.74 C +ATOM 331 C ARG B 22 17.698 8.879 31.911 1.00 23.51 C +ATOM 332 O ARG B 22 17.917 10.054 31.590 1.00 24.29 O +ATOM 333 CB ARG B 22 19.755 7.667 31.319 1.00 23.89 C +ATOM 334 CG ARG B 22 20.988 6.826 31.663 1.00 24.86 C +ATOM 335 CD ARG B 22 21.383 6.047 30.414 1.00 22.88 C +ATOM 337 NE ARG B 22 20.630 4.768 30.310 1.00 20.11 N +ATOM 339 CZ ARG B 22 21.034 3.964 29.314 1.00 18.31 C +ATOM 341 NH1 ARG B 22 22.032 4.460 28.578 1.00 16.61 N +ATOM 343 NH2 ARG B 22 20.502 2.785 29.088 1.00 17.86 N +ATOM 345 N GLY B 23 16.542 8.260 31.676 1.00 21.21 N +ATOM 346 CA GLY B 23 15.476 8.965 30.973 1.00 17.85 C +ATOM 347 C GLY B 23 15.910 9.035 29.481 1.00 16.17 C +ATOM 348 O GLY B 23 16.948 8.525 29.063 1.00 15.57 O +ATOM 349 N PHE B 24 15.060 9.736 28.719 1.00 16.41 N +ATOM 350 CA PHE B 24 15.294 9.883 27.290 1.00 14.32 C +ATOM 351 C PHE B 24 14.711 11.193 26.767 1.00 15.53 C +ATOM 352 O PHE B 24 14.070 12.029 27.427 1.00 13.74 O +ATOM 353 CB PHE B 24 14.629 8.654 26.606 1.00 14.57 C +ATOM 354 CG PHE B 24 13.133 8.578 26.869 1.00 12.67 C +ATOM 355 CD1 PHE B 24 12.241 9.227 26.006 1.00 13.47 C +ATOM 356 CD2 PHE B 24 12.621 7.877 27.944 1.00 13.45 C +ATOM 357 CE1 PHE B 24 10.874 9.179 26.215 1.00 13.73 C +ATOM 358 CE2 PHE B 24 11.235 7.832 28.174 1.00 12.29 C +ATOM 359 CZ PHE B 24 10.353 8.476 27.306 1.00 12.89 C +ATOM 360 N PHE B 25 14.881 11.324 25.434 1.00 13.94 N +ATOM 361 CA PHE B 25 14.258 12.460 24.751 1.00 14.6 C +ATOM 362 C PHE B 25 13.508 11.910 23.539 1.00 14.93 C +ATOM 363 O PHE B 25 13.987 11.001 22.864 1.00 13.67 O +ATOM 364 CB PHE B 25 15.308 13.514 24.380 1.00 15.04 C +ATOM 365 CG PHE B 25 16.412 13.000 23.477 1.00 13.77 C +ATOM 366 CD1 PHE B 25 17.547 12.407 23.984 1.00 13.66 C +ATOM 367 CD2 PHE B 25 16.281 13.138 22.102 1.00 13.3 C +ATOM 368 CE1 PHE B 25 18.568 11.938 23.157 1.00 15.48 C +ATOM 369 CE2 PHE B 25 17.296 12.669 21.271 1.00 14.01 C +ATOM 370 CZ PHE B 25 18.431 12.071 21.773 1.00 15.13 C +ATOM 371 N TYR B 26 12.301 12.426 23.369 1.00 14.37 N +ATOM 372 CA TYR B 26 11.435 12.097 22.266 1.00 15.48 C +ATOM 373 C TYR B 26 11.217 13.409 21.495 1.00 16.01 C +ATOM 374 O TYR B 26 10.559 14.367 21.913 1.00 15.61 O +ATOM 375 CB TYR B 26 10.091 11.494 22.723 1.00 14.77 C +ATOM 376 CG TYR B 26 9.342 11.170 21.438 1.00 16.27 C +ATOM 377 CD1 TYR B 26 9.803 10.076 20.685 1.00 18.21 C +ATOM 378 CD2 TYR B 26 8.271 11.920 20.985 1.00 17.64 C +ATOM 379 CE1 TYR B 26 9.153 9.746 19.495 1.00 20.02 C +ATOM 380 CE2 TYR B 26 7.622 11.595 19.798 1.00 18.17 C +ATOM 381 CZ TYR B 26 8.094 10.510 19.080 1.00 19.91 C +ATOM 382 OH TYR B 26 7.452 10.175 17.889 1.00 23.34 O +ATOM 383 N THR B 27 11.857 13.422 20.331 1.00 18.97 N +ATOM 384 CA THR B 27 11.818 14.564 19.425 1.00 22.72 C +ATOM 385 C THR B 27 11.306 14.121 18.066 1.00 25.02 C +ATOM 386 O THR B 27 12.078 13.545 17.293 1.00 27.38 O +ATOM 387 CB THR B 27 13.272 15.081 19.303 1.00 24.43 C +ATOM 388 OG1 THR B 27 13.720 15.520 20.589 1.00 24.72 O +ATOM 389 CG2 THR B 27 13.287 16.212 18.289 1.00 25.43 C +ATOM 390 N PRO B 28 10.045 14.310 17.775 1.00 26.12 N +ATOM 391 CA PRO B 28 9.509 14.094 16.454 1.00 27.33 C +ATOM 392 C PRO B 28 10.137 15.044 15.458 1.00 26.55 C +ATOM 393 O PRO B 28 10.957 14.665 14.632 1.00 29.42 O +ATOM 394 CB PRO B 28 8.003 14.310 16.505 1.00 27.78 C +ATOM 395 CG PRO B 28 7.667 15.056 17.787 1.00 27.06 C +ATOM 396 CD PRO B 28 9.062 15.026 18.581 1.00 26.6 C +ATOM 397 N LYS B 29 9.695 16.298 15.544 1.00 20.0 N +ATOM 398 CA LYS B 29 10.745 17.200 15.115 1.00 20.0 C +ATOM 399 C LYS B 29 11.390 17.910 16.310 1.00 20.0 C +ATOM 400 O LYS B 29 11.743 19.080 16.256 1.00 20.0 O +ATOM 401 CB LYS B 29 10.129 18.222 14.161 1.00 20.0 C +ATOM 402 CG LYS B 29 9.263 17.565 13.075 1.00 20.0 C +ATOM 403 CD LYS B 29 9.250 16.036 13.175 1.00 20.0 C +ATOM 404 CE LYS B 29 7.837 15.454 13.029 1.00 20.0 C +ATOM 405 NZ LYS B 29 7.917 14.018 12.766 1.00 20.0 N +ATOM 406 OXT LYS B 29 11.582 17.340 17.375 1.00 20.0 O +ATOM 408 N GLY C 1 9.561 16.902 40.400 1.00 25.15 N +ATOM 409 CA GLY C 1 9.652 16.421 38.993 1.00 24.03 C +ATOM 410 C GLY C 1 8.289 15.847 38.582 1.00 21.94 C +ATOM 411 O GLY C 1 7.337 15.870 39.370 1.00 20.36 O +ATOM 412 N ILE C 2 8.224 15.392 37.304 1.00 21.3 N +ATOM 413 CA ILE C 2 6.897 14.886 36.899 1.00 20.64 C +ATOM 414 C ILE C 2 6.488 13.674 37.728 1.00 19.52 C +ATOM 415 O ILE C 2 5.274 13.440 37.943 1.00 20.97 O +ATOM 416 CB ILE C 2 6.859 14.511 35.408 1.00 20.0 C +ATOM 417 CG1 ILE C 2 5.410 14.111 35.024 1.00 21.03 C +ATOM 418 CG2 ILE C 2 7.818 13.358 35.138 1.00 19.31 C +ATOM 419 CD1 ILE C 2 5.189 14.230 33.510 1.00 21.96 C +ATOM 420 N VAL C 3 7.465 12.857 38.120 1.00 18.35 N +ATOM 421 CA VAL C 3 7.100 11.620 38.856 1.00 19.63 C +ATOM 422 C VAL C 3 6.544 11.943 40.238 1.00 20.1 C +ATOM 423 O VAL C 3 5.491 11.440 40.680 1.00 20.07 O +ATOM 424 CB VAL C 3 8.313 10.678 38.924 1.00 19.86 C +ATOM 425 CG1 VAL C 3 7.935 9.429 39.729 1.00 20.89 C +ATOM 426 CG2 VAL C 3 8.876 10.293 37.544 1.00 20.25 C +ATOM 427 N GLU C 4 7.199 12.893 40.920 1.00 20.44 N +ATOM 428 CA GLU C 4 6.774 13.277 42.263 1.00 21.54 C +ATOM 429 C GLU C 4 5.402 13.959 42.246 1.00 21.0 C +ATOM 430 O GLU C 4 4.550 13.727 43.096 1.00 22.33 O +ATOM 431 CB GLU C 4 7.832 14.224 42.854 1.00 22.41 C +ATOM 432 CG GLU C 4 7.565 14.520 44.339 1.00 20.0 C +ATOM 433 CD GLU C 4 8.693 15.352 44.915 1.00 20.0 C +ATOM 434 OE1 GLU C 4 9.746 15.436 44.288 1.00 20.0 O +ATOM 435 OE2 GLU C 4 8.515 15.907 45.998 1.00 20.0 O +ATOM 436 N GLN C 5 5.181 14.794 41.220 1.00 17.55 N +ATOM 437 CA GLN C 5 3.897 15.482 41.115 1.00 17.62 C +ATOM 438 C GLN C 5 2.757 14.560 40.704 1.00 16.92 C +ATOM 439 O GLN C 5 1.674 14.540 41.274 1.00 15.6 O +ATOM 440 CB GLN C 5 4.033 16.644 40.092 1.00 18.5 C +ATOM 441 CG GLN C 5 2.761 17.478 40.145 1.00 19.84 C +ATOM 442 CD GLN C 5 2.634 18.601 39.135 1.00 21.39 C +ATOM 443 OE1 GLN C 5 1.661 19.372 39.229 1.00 22.54 O +ATOM 444 NE2 GLN C 5 3.562 18.730 38.188 1.00 21.12 N +ATOM 445 N CYS C 6 2.975 13.867 39.559 1.00 16.03 N +ATOM 446 CA CYS C 6 1.917 13.159 38.866 1.00 15.58 C +ATOM 447 C CYS C 6 1.849 11.650 39.168 1.00 15.29 C +ATOM 448 O CYS C 6 0.921 11.005 38.694 1.00 14.93 O +ATOM 449 CB CYS C 6 2.133 13.349 37.341 1.00 17.35 C +ATOM 450 SG CYS C 6 2.067 15.113 36.837 1.00 17.84 S +ATOM 451 N CYS C 7 2.637 11.167 40.124 1.00 16.57 N +ATOM 452 CA CYS C 7 2.464 9.788 40.601 1.00 16.34 C +ATOM 453 C CYS C 7 1.911 9.822 42.031 1.00 18.02 C +ATOM 454 O CYS C 7 1.537 8.767 42.553 1.00 18.93 O +ATOM 455 CB CYS C 7 3.766 8.977 40.535 1.00 16.71 C +ATOM 456 SG CYS C 7 4.288 8.592 38.849 1.00 16.66 S +ATOM 457 N THR C 8 1.712 11.044 42.567 1.00 19.89 N +ATOM 458 CA THR C 8 1.081 11.163 43.901 1.00 21.78 C +ATOM 459 C THR C 8 -0.276 11.831 43.772 1.00 22.0 C +ATOM 460 O THR C 8 -1.140 11.785 44.662 1.00 23.79 O +ATOM 461 CB THR C 8 1.978 11.911 44.913 1.00 20.77 C +ATOM 462 OG1 THR C 8 2.247 13.248 44.476 1.00 22.17 O +ATOM 463 CG2 THR C 8 3.334 11.227 45.104 1.00 20.9 C +ATOM 464 N SER C 9 -0.550 12.463 42.636 1.00 21.27 N +ATOM 465 CA SER C 9 -1.804 13.122 42.311 1.00 22.73 C +ATOM 466 C SER C 9 -2.228 12.892 40.868 1.00 21.62 C +ATOM 467 O SER C 9 -1.274 12.853 40.077 1.00 23.09 O +ATOM 468 CB SER C 9 -1.611 14.665 42.474 1.00 25.15 C +ATOM 469 OG SER C 9 -2.322 15.050 43.625 1.00 29.18 O +ATOM 470 N ILE C 10 -3.506 12.818 40.491 1.00 20.05 N +ATOM 471 CA ILE C 10 -3.737 12.670 39.029 1.00 19.91 C +ATOM 472 C ILE C 10 -3.516 14.039 38.366 1.00 19.49 C +ATOM 473 O ILE C 10 -4.192 15.009 38.759 1.00 20.86 O +ATOM 474 CB ILE C 10 -5.116 12.113 38.691 1.00 21.05 C +ATOM 475 CG1 ILE C 10 -5.307 10.767 39.427 1.00 19.91 C +ATOM 476 CG2 ILE C 10 -5.298 11.881 37.183 1.00 22.5 C +ATOM 477 CD1 ILE C 10 -6.776 10.337 39.377 1.00 20.68 C +ATOM 478 N CYS C 11 -2.591 14.096 37.409 1.00 16.14 N +ATOM 479 CA CYS C 11 -2.359 15.343 36.683 1.00 15.48 C +ATOM 480 C CYS C 11 -3.295 15.486 35.494 1.00 16.8 C +ATOM 481 O CYS C 11 -3.546 14.520 34.758 1.00 15.28 O +ATOM 482 CB CYS C 11 -0.928 15.416 36.163 1.00 15.7 C +ATOM 483 SG CYS C 11 0.298 15.740 37.453 1.00 18.0 S +ATOM 484 N SER C 12 -3.857 16.691 35.371 1.00 15.57 N +ATOM 485 CA SER C 12 -4.748 16.998 34.265 1.00 16.05 C +ATOM 486 C SER C 12 -3.907 17.125 32.982 1.00 15.39 C +ATOM 487 O SER C 12 -2.690 17.168 33.091 1.00 15.86 O +ATOM 488 CB SER C 12 -5.484 18.320 34.551 1.00 15.69 C +ATOM 489 OG SER C 12 -4.499 19.374 34.385 1.00 13.22 O +ATOM 490 N LEU C 13 -4.549 17.310 31.818 1.00 15.97 N +ATOM 491 CA LEU C 13 -3.738 17.513 30.605 1.00 14.91 C +ATOM 492 C LEU C 13 -2.921 18.798 30.738 1.00 14.4 C +ATOM 493 O LEU C 13 -1.852 18.912 30.167 1.00 14.71 O +ATOM 494 CB LEU C 13 -4.643 17.642 29.375 1.00 16.68 C +ATOM 495 CG LEU C 13 -5.589 16.463 29.073 1.00 20.27 C +ATOM 496 CD1 LEU C 13 -6.592 16.875 27.983 1.00 22.15 C +ATOM 497 CD2 LEU C 13 -4.787 15.243 28.643 1.00 20.61 C +ATOM 498 N TYR C 14 -3.509 19.820 31.377 1.00 13.5 N +ATOM 499 CA TYR C 14 -2.790 21.095 31.505 1.00 13.81 C +ATOM 500 C TYR C 14 -1.518 20.978 32.328 1.00 13.99 C +ATOM 501 O TYR C 14 -0.486 21.632 32.009 1.00 12.71 O +ATOM 502 CB TYR C 14 -3.739 22.095 32.175 1.00 14.46 C +ATOM 503 CG TYR C 14 -4.997 22.248 31.345 1.00 17.37 C +ATOM 504 CD1 TYR C 14 -5.039 23.161 30.289 1.00 20.49 C +ATOM 505 CD2 TYR C 14 -6.129 21.500 31.651 1.00 18.43 C +ATOM 506 CE1 TYR C 14 -6.204 23.323 29.552 1.00 22.41 C +ATOM 507 CE2 TYR C 14 -7.293 21.661 30.914 1.00 21.6 C +ATOM 508 CZ TYR C 14 -7.327 22.578 29.862 1.00 23.98 C +ATOM 509 OH TYR C 14 -8.500 22.756 29.153 1.00 27.15 O +ATOM 510 N GLN C 15 -1.631 20.181 33.393 1.00 13.71 N +ATOM 511 CA GLN C 15 -0.478 19.930 34.279 1.00 15.11 C +ATOM 512 C GLN C 15 0.606 19.096 33.610 1.00 14.48 C +ATOM 513 O GLN C 15 1.827 19.287 33.739 1.00 13.35 O +ATOM 514 CB GLN C 15 -0.961 19.259 35.568 1.00 16.71 C +ATOM 515 CG GLN C 15 -1.811 20.187 36.453 1.00 17.35 C +ATOM 516 CD GLN C 15 -2.292 19.406 37.687 1.00 19.91 C +ATOM 517 OE1 GLN C 15 -1.903 19.767 38.817 1.00 22.29 O +ATOM 518 NE2 GLN C 15 -3.137 18.427 37.484 1.00 16.89 N +ATOM 519 N LEU C 16 0.168 18.125 32.784 1.00 13.45 N +ATOM 520 CA LEU C 16 1.140 17.343 32.014 1.00 14.0 C +ATOM 521 C LEU C 16 1.849 18.209 30.974 1.00 13.51 C +ATOM 522 O LEU C 16 3.055 18.074 30.710 1.00 14.25 O +ATOM 523 CB LEU C 16 0.378 16.183 31.348 1.00 15.21 C +ATOM 524 CG LEU C 16 -0.091 15.089 32.309 1.00 18.94 C +ATOM 525 CD1 LEU C 16 -1.152 14.220 31.616 1.00 17.8 C +ATOM 526 CD2 LEU C 16 1.095 14.261 32.796 1.00 19.02 C +ATOM 527 N GLU C 17 1.069 19.073 30.301 1.00 15.12 N +ATOM 528 CA GLU C 17 1.634 19.913 29.233 1.00 15.92 C +ATOM 529 C GLU C 17 2.797 20.779 29.735 1.00 17.19 C +ATOM 530 O GLU C 17 3.748 21.122 28.993 1.00 14.29 O +ATOM 531 CB GLU C 17 0.487 20.715 28.613 1.00 19.95 C +ATOM 532 CG GLU C 17 0.945 21.767 27.619 1.00 20.55 C +ATOM 533 CD GLU C 17 -0.192 22.695 27.202 1.00 22.66 C +ATOM 534 OE1 GLU C 17 -1.140 22.961 27.961 1.00 20.76 O +ATOM 535 OE2 GLU C 17 -0.099 23.170 26.046 1.00 23.83 O +ATOM 536 N ASN C 18 2.982 21.027 31.051 1.00 17.01 N +ATOM 537 CA ASN C 18 4.005 21.788 31.693 1.00 21.36 C +ATOM 538 C ASN C 18 5.326 21.178 31.493 1.00 21.35 C +ATOM 539 O ASN C 18 6.362 21.857 31.537 1.00 21.45 O +ATOM 540 CB ASN C 18 3.719 21.845 33.183 1.00 23.14 C +ATOM 541 CG ASN C 18 3.989 23.247 33.658 1.00 26.6 C +ATOM 542 OD1 ASN C 18 3.514 24.235 33.101 1.00 27.7 O +ATOM 543 ND2 ASN C 18 4.769 23.330 34.748 1.00 27.04 N +ATOM 544 N TYR C 19 5.323 19.831 31.312 1.00 19.97 N +ATOM 545 CA TYR C 19 6.582 19.088 31.131 1.00 18.92 C +ATOM 546 C TYR C 19 6.988 18.900 29.629 1.00 19.02 C +ATOM 547 O TYR C 19 8.035 18.264 29.331 1.00 18.45 O +ATOM 548 CB TYR C 19 6.430 17.671 31.811 1.00 19.44 C +ATOM 549 CG TYR C 19 5.751 17.725 33.212 1.00 19.26 C +ATOM 550 CD1 TYR C 19 4.341 17.742 33.343 1.00 19.95 C +ATOM 551 CD2 TYR C 19 6.530 17.682 34.369 1.00 18.67 C +ATOM 552 CE1 TYR C 19 3.749 17.720 34.625 1.00 18.98 C +ATOM 553 CE2 TYR C 19 5.940 17.662 35.627 1.00 19.11 C +ATOM 554 CZ TYR C 19 4.577 17.682 35.763 1.00 21.03 C +ATOM 555 OH TYR C 19 4.019 17.712 37.029 1.00 20.39 O +ATOM 556 N CYS C 20 6.191 19.427 28.695 1.00 19.35 N +ATOM 557 CA CYS C 20 6.526 19.310 27.275 1.00 17.99 C +ATOM 558 C CYS C 20 7.695 20.238 26.915 1.00 20.89 C +ATOM 559 O CYS C 20 7.931 21.228 27.617 1.00 19.33 O +ATOM 560 CB CYS C 20 5.370 19.741 26.356 1.00 17.08 C +ATOM 561 SG CYS C 20 3.910 18.678 26.622 1.00 15.08 S +ATOM 562 N ASN C 21 8.406 19.913 25.854 1.00 22.42 N +ATOM 563 CA ASN C 21 9.435 20.831 25.350 1.00 27.31 C +ATOM 564 C ASN C 21 8.836 22.064 24.688 1.00 29.04 C +ATOM 565 O ASN C 21 9.639 22.994 24.412 1.00 32.4 O +ATOM 566 CB ASN C 21 10.327 20.026 24.385 1.00 30.64 C +ATOM 567 CG ASN C 21 11.609 19.677 25.117 1.00 33.11 C +ATOM 568 OD1 ASN C 21 11.873 18.529 25.484 1.00 36.46 O +ATOM 569 ND2 ASN C 21 12.415 20.737 25.330 1.00 34.77 N +ATOM 570 OXT ASN C 21 7.614 22.190 24.445 1.00 27.73 O +ATOM 572 N PHE D 1 11.900 0.573 42.957 1.00 26.7 N +ATOM 573 CA PHE D 1 10.519 0.802 43.372 1.00 25.27 C +ATOM 574 C PHE D 1 9.546 0.664 42.173 1.00 24.21 C +ATOM 575 O PHE D 1 9.347 1.582 41.389 1.00 22.19 O +ATOM 576 CB PHE D 1 10.425 2.220 43.947 1.00 28.36 C +ATOM 577 CG PHE D 1 9.033 2.484 44.463 1.00 27.79 C +ATOM 578 CD1 PHE D 1 8.277 1.435 44.974 1.00 28.98 C +ATOM 579 CD2 PHE D 1 8.512 3.773 44.437 1.00 26.87 C +ATOM 580 CE1 PHE D 1 7.000 1.679 45.459 1.00 29.06 C +ATOM 581 CE2 PHE D 1 7.230 4.007 44.930 1.00 27.01 C +ATOM 582 CZ PHE D 1 6.471 2.961 45.441 1.00 27.89 C +ATOM 583 N VAL D 2 9.063 -0.597 42.129 1.00 23.05 N +ATOM 584 CA VAL D 2 8.158 -0.974 41.032 1.00 19.63 C +ATOM 585 C VAL D 2 6.944 -0.085 40.841 1.00 19.23 C +ATOM 586 O VAL D 2 6.672 0.287 39.678 1.00 15.07 O +ATOM 587 CB VAL D 2 7.756 -2.462 41.194 1.00 21.42 C +ATOM 588 CG1 VAL D 2 6.778 -2.956 40.147 1.00 19.7 C +ATOM 589 CG2 VAL D 2 9.055 -3.297 41.091 1.00 21.14 C +ATOM 590 N ASN D 3 6.187 0.291 41.887 1.00 17.22 N +ATOM 591 CA ASN D 3 5.006 1.132 41.611 1.00 17.37 C +ATOM 592 C ASN D 3 5.345 2.430 40.887 1.00 15.45 C +ATOM 593 O ASN D 3 4.546 2.928 40.068 1.00 13.11 O +ATOM 594 CB ASN D 3 4.270 1.378 42.950 1.00 19.16 C +ATOM 595 CG ASN D 3 2.773 1.261 42.676 1.00 20.91 C +ATOM 596 OD1 ASN D 3 2.158 0.205 42.838 1.00 24.23 O +ATOM 597 ND2 ASN D 3 2.234 2.393 42.214 1.00 21.29 N +ATOM 598 N GLN D 4 6.461 3.079 41.192 1.00 16.09 N +ATOM 599 CA GLN D 4 6.908 4.280 40.511 1.00 17.38 C +ATOM 600 C GLN D 4 7.273 3.895 39.063 1.00 14.8 C +ATOM 601 O GLN D 4 7.009 4.669 38.158 1.00 16.22 O +ATOM 602 CB GLN D 4 8.140 4.826 41.216 1.00 21.44 C +ATOM 603 CG GLN D 4 8.725 6.135 40.750 1.00 25.79 C +ATOM 604 CD GLN D 4 9.863 6.499 41.721 1.00 30.06 C +ATOM 605 OE1 GLN D 4 11.018 6.428 41.327 1.00 33.29 O +ATOM 606 NE2 GLN D 4 9.487 6.856 42.947 1.00 31.87 N +ATOM 607 N HIS D 5 7.858 2.731 38.888 1.00 13.18 N +ATOM 608 CA HIS D 5 8.254 2.294 37.520 1.00 13.79 C +ATOM 609 C HIS D 5 6.998 2.182 36.673 1.00 15.12 C +ATOM 610 O HIS D 5 6.976 2.690 35.527 1.00 14.65 O +ATOM 611 CB HIS D 5 9.032 0.971 37.562 1.00 16.89 C +ATOM 612 CG HIS D 5 9.508 0.642 36.165 1.00 18.34 C +ATOM 613 ND1 HIS D 5 8.946 -0.311 35.351 1.00 21.29 N +ATOM 614 CD2 HIS D 5 10.544 1.204 35.501 1.00 18.05 C +ATOM 615 CE1 HIS D 5 9.605 -0.304 34.181 1.00 21.17 C +ATOM 616 NE2 HIS D 5 10.602 0.575 34.273 1.00 22.62 N +ATOM 617 N LEU D 6 5.970 1.512 37.240 1.00 11.49 N +ATOM 618 CA LEU D 6 4.706 1.362 36.505 1.00 9.87 C +ATOM 619 C LEU D 6 4.062 2.715 36.255 1.00 12.62 C +ATOM 620 O LEU D 6 3.614 2.996 35.113 1.00 13.45 O +ATOM 621 CB LEU D 6 3.707 0.442 37.254 1.00 11.71 C +ATOM 622 CG LEU D 6 4.300 -0.929 37.599 1.00 13.0 C +ATOM 623 CD1 LEU D 6 3.194 -1.853 38.143 1.00 14.22 C +ATOM 624 CD2 LEU D 6 4.947 -1.640 36.410 1.00 14.19 C +ATOM 625 N CYS D 7 3.980 3.596 37.252 1.00 10.77 N +ATOM 626 CA CYS D 7 3.381 4.922 37.017 1.00 12.61 C +ATOM 627 C CYS D 7 4.089 5.695 35.907 1.00 11.2 C +ATOM 628 O CYS D 7 3.423 6.280 35.030 1.00 12.44 O +ATOM 629 CB CYS D 7 3.433 5.736 38.350 1.00 12.44 C +ATOM 630 SG CYS D 7 2.798 7.431 38.130 1.00 14.32 S +ATOM 631 N GLY D 8 5.408 5.672 35.870 1.00 12.27 N +ATOM 632 CA GLY D 8 6.211 6.422 34.850 1.00 9.55 C +ATOM 633 C GLY D 8 5.848 5.874 33.461 1.00 11.92 C +ATOM 634 O GLY D 8 5.959 6.744 32.581 1.00 12.45 O +ATOM 635 N SER D 9 5.589 4.575 33.313 1.00 10.62 N +ATOM 636 CA SER D 9 5.307 4.069 31.937 1.00 11.62 C +ATOM 637 C SER D 9 4.053 4.751 31.421 1.00 12.28 C +ATOM 638 O SER D 9 3.933 5.149 30.257 1.00 13.45 O +ATOM 639 CB SER D 9 5.200 2.527 31.931 1.00 16.33 C +ATOM 640 OG SER D 9 4.398 2.115 30.818 1.00 21.89 O +ATOM 641 N HIS D 10 3.057 4.943 32.310 1.00 11.69 N +ATOM 642 CA HIS D 10 1.817 5.618 31.958 1.00 11.55 C +ATOM 643 C HIS D 10 2.042 7.107 31.772 1.00 11.66 C +ATOM 644 O HIS D 10 1.476 7.717 30.822 1.00 10.92 O +ATOM 645 CB HIS D 10 0.726 5.381 33.020 1.00 11.46 C +ATOM 646 CG HIS D 10 0.274 3.952 33.020 1.00 12.11 C +ATOM 647 ND1 HIS D 10 -0.662 3.439 32.137 1.00 15.26 N +ATOM 648 CD2 HIS D 10 0.681 2.934 33.801 1.00 13.37 C +ATOM 649 CE1 HIS D 10 -0.833 2.143 32.413 1.00 14.67 C +ATOM 650 NE2 HIS D 10 -0.040 1.788 33.438 1.00 13.98 N +ATOM 651 N LEU D 11 2.944 7.694 32.577 1.00 9.86 N +ATOM 652 CA LEU D 11 3.198 9.127 32.376 1.00 10.19 C +ATOM 653 C LEU D 11 3.823 9.428 30.994 1.00 10.82 C +ATOM 654 O LEU D 11 3.466 10.453 30.393 1.00 9.76 O +ATOM 655 CB LEU D 11 4.233 9.635 33.411 1.00 14.15 C +ATOM 656 CG LEU D 11 3.748 9.836 34.841 1.00 16.98 C +ATOM 657 CD1 LEU D 11 4.903 10.392 35.707 1.00 17.2 C +ATOM 658 CD2 LEU D 11 2.571 10.799 34.919 1.00 16.95 C +ATOM 659 N VAL D 12 4.759 8.564 30.590 1.00 8.75 N +ATOM 660 CA VAL D 12 5.387 8.890 29.257 1.00 10.35 C +ATOM 661 C VAL D 12 4.360 8.678 28.141 1.00 10.86 C +ATOM 662 O VAL D 12 4.517 9.430 27.166 1.00 12.15 O +ATOM 663 CB VAL D 12 6.718 8.174 28.976 1.00 11.41 C +ATOM 664 CG1 VAL D 12 7.840 8.710 29.907 1.00 15.38 C +ATOM 665 CG2 VAL D 12 6.675 6.671 29.080 1.00 13.97 C +ATOM 666 N GLU D 13 3.446 7.731 28.226 1.00 12.24 N +ATOM 667 CA GLU D 13 2.416 7.647 27.179 1.00 12.22 C +ATOM 668 C GLU D 13 1.534 8.894 27.196 1.00 12.99 C +ATOM 669 O GLU D 13 1.112 9.473 26.171 1.00 12.17 O +ATOM 670 CB GLU D 13 1.560 6.379 27.340 1.00 16.2 C +ATOM 671 CG GLU D 13 0.486 6.230 26.263 1.00 18.7 C +ATOM 672 CD GLU D 13 0.977 6.315 24.817 1.00 18.6 C +ATOM 673 OE1 GLU D 13 2.018 5.708 24.457 1.00 21.85 O +ATOM 674 OE2 GLU D 13 0.352 6.995 23.976 1.00 17.16 O +ATOM 675 N ALA D 14 1.268 9.401 28.422 1.00 8.85 N +ATOM 676 CA ALA D 14 0.462 10.626 28.521 1.00 10.92 C +ATOM 677 C ALA D 14 1.201 11.803 27.910 1.00 10.21 C +ATOM 678 O ALA D 14 0.609 12.651 27.199 1.00 10.85 O +ATOM 679 CB ALA D 14 0.063 10.925 29.990 1.00 10.45 C +ATOM 680 N LEU D 15 2.490 11.997 28.202 1.00 8.68 N +ATOM 681 CA LEU D 15 3.239 13.093 27.600 1.00 10.2 C +ATOM 682 C LEU D 15 3.376 12.948 26.084 1.00 10.97 C +ATOM 683 O LEU D 15 3.235 13.945 25.373 1.00 10.16 O +ATOM 684 CB LEU D 15 4.675 13.142 28.133 1.00 11.62 C +ATOM 685 CG LEU D 15 4.849 13.563 29.583 1.00 14.63 C +ATOM 686 CD1 LEU D 15 6.355 13.489 29.906 1.00 15.67 C +ATOM 687 CD2 LEU D 15 4.259 14.963 29.819 1.00 13.92 C +ATOM 688 N TYR D 16 3.483 11.708 25.607 1.00 9.48 N +ATOM 689 CA TYR D 16 3.508 11.569 24.148 1.00 9.01 C +ATOM 690 C TYR D 16 2.280 12.159 23.483 1.00 8.92 C +ATOM 691 O TYR D 16 2.399 12.919 22.484 1.00 9.48 O +ATOM 692 CB TYR D 16 3.598 10.072 23.839 1.00 10.42 C +ATOM 693 CG TYR D 16 3.537 9.849 22.345 1.00 10.37 C +ATOM 694 CD1 TYR D 16 4.617 10.197 21.537 1.00 9.17 C +ATOM 695 CD2 TYR D 16 2.406 9.267 21.771 1.00 9.26 C +ATOM 696 CE1 TYR D 16 4.569 9.963 20.169 1.00 12.61 C +ATOM 697 CE2 TYR D 16 2.358 9.034 20.404 1.00 10.34 C +ATOM 698 CZ TYR D 16 3.432 9.377 19.607 1.00 11.19 C +ATOM 699 OH TYR D 16 3.404 9.119 18.250 1.00 13.66 O +ATOM 700 N LEU D 17 1.097 11.845 23.991 1.00 9.06 N +ATOM 701 CA LEU D 17 -0.157 12.424 23.442 1.00 9.53 C +ATOM 702 C LEU D 17 -0.288 13.915 23.679 1.00 11.12 C +ATOM 703 O LEU D 17 -0.680 14.655 22.743 1.00 13.04 O +ATOM 704 CB LEU D 17 -1.341 11.669 24.039 1.00 9.41 C +ATOM 705 CG LEU D 17 -1.400 10.163 23.739 1.00 10.88 C +ATOM 707 CD1 LEU D 17 -2.536 9.545 24.542 1.00 10.73 C +ATOM 709 CD2 LEU D 17 -1.552 9.937 22.241 1.00 12.06 C +ATOM 711 N VAL D 18 -0.004 14.390 24.891 1.00 9.63 N +ATOM 712 CA VAL D 18 -0.214 15.803 25.194 1.00 11.79 C +ATOM 713 C VAL D 18 0.767 16.735 24.440 1.00 11.53 C +ATOM 714 O VAL D 18 0.289 17.749 23.901 1.00 13.58 O +ATOM 715 CB VAL D 18 -0.111 16.063 26.712 1.00 12.59 C +ATOM 716 CG1 VAL D 18 -0.044 17.553 27.021 1.00 14.87 C +ATOM 717 CG2 VAL D 18 -1.363 15.476 27.381 1.00 12.37 C +ATOM 718 N CYS D 19 2.027 16.384 24.365 1.00 11.45 N +ATOM 719 CA CYS D 19 3.064 17.264 23.798 1.00 12.57 C +ATOM 720 C CYS D 19 3.005 17.295 22.265 1.00 14.36 C +ATOM 721 O CYS D 19 3.397 18.323 21.694 1.00 15.05 O +ATOM 722 CB CYS D 19 4.444 16.806 24.251 1.00 12.86 C +ATOM 723 SG CYS D 19 4.560 16.840 26.083 1.00 12.77 S +ATOM 724 N GLY D 20 2.632 16.175 21.685 1.00 15.76 N +ATOM 725 CA GLY D 20 2.488 16.080 20.227 1.00 19.28 C +ATOM 726 C GLY D 20 3.789 16.454 19.521 1.00 19.99 C +ATOM 727 O GLY D 20 4.887 16.001 19.908 1.00 19.37 O +ATOM 728 N GLU D 21 3.658 17.292 18.468 1.00 20.23 N +ATOM 729 CA GLU D 21 4.858 17.658 17.666 1.00 23.74 C +ATOM 730 C GLU D 21 5.999 18.286 18.517 1.00 22.11 C +ATOM 731 O GLU D 21 7.168 18.261 18.156 1.00 22.8 O +ATOM 732 CB GLU D 21 4.423 18.647 16.587 1.00 20.0 C +ATOM 733 CG GLU D 21 3.536 18.004 15.526 1.00 20.0 C +ATOM 734 CD GLU D 21 3.167 19.044 14.497 1.00 20.0 C +ATOM 735 OE1 GLU D 21 3.307 20.224 14.784 1.00 20.0 O +ATOM 736 OE2 GLU D 21 2.737 18.664 13.410 1.00 20.0 O +ATOM 737 N ARG D 22 5.736 18.874 19.676 1.00 22.21 N +ATOM 738 CA ARG D 22 6.715 19.510 20.527 1.00 20.59 C +ATOM 739 C ARG D 22 7.731 18.528 21.146 1.00 20.88 C +ATOM 740 O ARG D 22 8.874 18.879 21.472 1.00 20.08 O +ATOM 741 CB ARG D 22 6.011 20.210 21.708 1.00 23.43 C +ATOM 742 CG ARG D 22 5.096 21.351 21.206 1.00 24.06 C +ATOM 743 CD ARG D 22 4.357 21.884 22.443 1.00 24.47 C +ATOM 744 NE ARG D 22 3.185 21.060 22.732 1.00 24.65 N +ATOM 745 CZ ARG D 22 2.256 21.394 23.624 1.00 25.91 C +ATOM 746 NH1 ARG D 22 2.483 22.507 24.330 1.00 25.95 N +ATOM 747 NH2 ARG D 22 1.192 20.615 23.795 1.00 24.02 N +ATOM 748 N GLY D 23 7.253 17.285 21.330 1.00 17.85 N +ATOM 749 CA GLY D 23 8.140 16.301 21.974 1.00 15.11 C +ATOM 750 C GLY D 23 8.333 16.662 23.447 1.00 14.5 C +ATOM 751 O GLY D 23 7.663 17.531 24.039 1.00 17.29 O +ATOM 752 N PHE D 24 9.302 15.984 24.061 1.00 13.0 N +ATOM 753 CA PHE D 24 9.557 16.187 25.493 1.00 12.67 C +ATOM 754 C PHE D 24 10.804 15.435 25.901 1.00 14.22 C +ATOM 755 O PHE D 24 11.286 14.577 25.179 1.00 14.89 O +ATOM 756 CB PHE D 24 8.371 15.618 26.322 1.00 13.57 C +ATOM 757 CG PHE D 24 8.093 14.132 26.165 1.00 13.66 C +ATOM 758 CD1 PHE D 24 7.235 13.651 25.190 1.00 14.0 C +ATOM 759 CD2 PHE D 24 8.646 13.212 27.049 1.00 13.87 C +ATOM 760 CE1 PHE D 24 6.970 12.276 25.074 1.00 11.67 C +ATOM 761 CE2 PHE D 24 8.409 11.842 26.936 1.00 13.63 C +ATOM 762 CZ PHE D 24 7.585 11.356 25.928 1.00 12.26 C +ATOM 763 N PHE D 25 11.301 15.764 27.089 1.00 15.89 N +ATOM 764 CA PHE D 25 12.411 15.077 27.696 1.00 17.55 C +ATOM 765 C PHE D 25 11.779 14.380 28.905 1.00 17.49 C +ATOM 766 O PHE D 25 10.854 14.952 29.523 1.00 19.93 O +ATOM 767 CB PHE D 25 13.535 16.013 28.166 1.00 20.42 C +ATOM 768 CG PHE D 25 14.426 16.483 27.054 1.00 24.13 C +ATOM 769 CD1 PHE D 25 13.966 17.407 26.122 1.00 26.01 C +ATOM 770 CD2 PHE D 25 15.728 16.004 26.941 1.00 24.38 C +ATOM 771 CE1 PHE D 25 14.790 17.848 25.084 1.00 27.57 C +ATOM 772 CE2 PHE D 25 16.545 16.438 25.913 1.00 25.47 C +ATOM 773 CZ PHE D 25 16.100 17.356 24.979 1.00 27.08 C +ATOM 774 N TYR D 26 12.168 13.149 29.161 1.00 16.68 N +ATOM 775 CA TYR D 26 11.636 12.478 30.330 1.00 19.77 C +ATOM 776 C TYR D 26 12.850 12.228 31.241 1.00 22.02 C +ATOM 777 O TYR D 26 13.756 11.512 30.852 1.00 20.06 O +ATOM 778 CB TYR D 26 10.913 11.161 30.021 1.00 18.95 C +ATOM 779 CG TYR D 26 10.521 10.459 31.321 1.00 21.63 C +ATOM 780 CD1 TYR D 26 9.485 10.982 32.093 1.00 22.44 C +ATOM 781 CD2 TYR D 26 11.173 9.311 31.740 1.00 22.87 C +ATOM 782 CE1 TYR D 26 9.110 10.356 33.279 1.00 25.69 C +ATOM 783 CE2 TYR D 26 10.806 8.681 32.924 1.00 23.89 C +ATOM 784 CZ TYR D 26 9.781 9.212 33.677 1.00 25.35 C +ATOM 785 OH TYR D 26 9.376 8.608 34.857 1.00 29.36 O +ATOM 786 N THR D 27 12.740 12.869 32.407 1.00 26.98 N +ATOM 787 CA THR D 27 13.833 12.694 33.385 1.00 31.08 C +ATOM 788 C THR D 27 13.196 12.289 34.716 1.00 32.25 C +ATOM 789 O THR D 27 12.408 13.015 35.323 1.00 33.48 O +ATOM 790 CB THR D 27 14.728 13.936 33.409 1.00 33.31 C +ATOM 791 OG1 THR D 27 14.117 15.092 32.782 1.00 35.56 O +ATOM 792 CG2 THR D 27 15.994 13.611 32.608 1.00 33.28 C +ATOM 793 N PRO D 28 13.391 11.025 35.073 1.00 33.85 N +ATOM 794 CA PRO D 28 12.787 10.297 36.176 1.00 36.34 C +ATOM 795 C PRO D 28 13.413 10.692 37.509 1.00 39.54 C +ATOM 796 O PRO D 28 14.245 11.586 37.594 1.00 40.82 O +ATOM 797 CB PRO D 28 12.992 8.813 35.927 1.00 34.98 C +ATOM 798 CG PRO D 28 14.181 8.660 34.994 1.00 34.05 C +ATOM 799 CD PRO D 28 14.283 10.124 34.342 1.00 33.77 C +ATOM 800 N LYS D 29 12.953 10.016 38.582 1.00 41.82 N +ATOM 801 CA LYS D 29 13.490 10.321 39.899 1.00 44.42 C +ATOM 802 C LYS D 29 14.565 9.314 40.316 1.00 44.96 C +ATOM 803 O LYS D 29 15.398 9.575 41.174 1.00 46.19 O +ATOM 804 CB LYS D 29 12.332 10.290 40.897 1.00 20.0 C +ATOM 805 CG LYS D 29 11.818 8.877 41.143 1.00 20.0 C +ATOM 806 CD LYS D 29 12.474 8.236 42.356 1.00 20.0 C +ATOM 807 CE LYS D 29 13.270 6.994 41.983 1.00 20.0 C +ATOM 808 NZ LYS D 29 13.619 6.283 43.189 1.00 20.0 N +ATOM 809 OXT LYS D 29 14.641 8.202 39.809 1.00 47.2 O +ATOM 811 N GLY E 1 17.335 9.341 52.401 1.00 19.16 N +ATOM 812 CA GLY E 1 16.629 9.456 53.726 1.00 19.55 C +ATOM 813 C GLY E 1 16.010 8.061 54.017 1.00 18.18 C +ATOM 814 O GLY E 1 16.035 7.180 53.164 1.00 18.27 O +ATOM 815 N ILE E 2 15.572 7.916 55.278 1.00 14.99 N +ATOM 816 CA ILE E 2 15.017 6.591 55.639 1.00 16.13 C +ATOM 817 C ILE E 2 13.798 6.192 54.807 1.00 14.31 C +ATOM 818 O ILE E 2 13.557 5.008 54.543 1.00 15.2 O +ATOM 819 CB ILE E 2 14.644 6.578 57.143 1.00 13.34 C +ATOM 820 CG1 ILE E 2 14.250 5.140 57.553 1.00 12.53 C +ATOM 821 CG2 ILE E 2 13.525 7.589 57.370 1.00 14.59 C +ATOM 822 CD1 ILE E 2 14.159 4.983 59.088 1.00 15.38 C +ATOM 823 N VAL E 3 13.000 7.166 54.390 1.00 14.77 N +ATOM 824 CA VAL E 3 11.791 6.861 53.606 1.00 17.4 C +ATOM 825 C VAL E 3 12.201 6.369 52.221 1.00 17.82 C +ATOM 826 O VAL E 3 11.777 5.286 51.810 1.00 15.94 O +ATOM 827 CB VAL E 3 10.811 8.050 53.498 1.00 18.16 C +ATOM 828 CG1 VAL E 3 9.755 7.732 52.416 1.00 18.66 C +ATOM 829 CG2 VAL E 3 10.120 8.348 54.820 1.00 18.2 C +ATOM 830 N GLU E 4 13.113 7.113 51.557 1.00 19.05 N +ATOM 831 CA GLU E 4 13.618 6.565 50.287 1.00 20.05 C +ATOM 832 C GLU E 4 14.263 5.192 50.441 1.00 19.28 C +ATOM 833 O GLU E 4 14.118 4.300 49.593 1.00 21.28 O +ATOM 834 CB GLU E 4 14.680 7.515 49.700 1.00 22.7 C +ATOM 835 CG GLU E 4 14.173 8.914 49.413 1.00 27.85 C +ATOM 836 CD GLU E 4 13.709 9.761 50.572 1.00 30.39 C +ATOM 837 OE1 GLU E 4 14.022 9.499 51.763 1.00 29.3 O +ATOM 838 OE2 GLU E 4 12.973 10.741 50.213 1.00 32.83 O +ATOM 839 N GLN E 5 15.082 4.986 51.484 1.00 16.02 N +ATOM 840 CA GLN E 5 15.809 3.732 51.654 1.00 15.92 C +ATOM 841 C GLN E 5 14.949 2.577 52.142 1.00 17.95 C +ATOM 842 O GLN E 5 15.127 1.427 51.710 1.00 17.88 O +ATOM 843 CB GLN E 5 16.984 3.890 52.668 1.00 18.25 C +ATOM 844 CG GLN E 5 17.648 2.553 52.890 1.00 20.38 C +ATOM 845 CD GLN E 5 18.852 2.502 53.815 1.00 20.46 C +ATOM 846 OE1 GLN E 5 19.127 3.414 54.599 1.00 19.67 O +ATOM 847 NE2 GLN E 5 19.568 1.376 53.695 1.00 20.57 N +ATOM 848 N CYS E 6 14.003 2.866 53.070 1.00 15.84 N +ATOM 849 CA CYS E 6 13.288 1.766 53.709 1.00 13.79 C +ATOM 850 C CYS E 6 11.788 1.669 53.424 1.00 12.79 C +ATOM 851 O CYS E 6 11.205 0.694 53.935 1.00 15.22 O +ATOM 852 CB CYS E 6 13.496 1.917 55.238 1.00 14.28 C +ATOM 853 SG CYS E 6 15.264 1.849 55.709 1.00 16.34 S +ATOM 854 N CYS E 7 11.246 2.495 52.529 1.00 12.64 N +ATOM 855 CA CYS E 7 9.874 2.287 52.083 1.00 14.33 C +ATOM 856 C CYS E 7 9.881 1.715 50.644 1.00 15.69 C +ATOM 857 O CYS E 7 8.824 1.322 50.159 1.00 17.24 O +ATOM 858 CB CYS E 7 9.054 3.557 52.122 1.00 14.43 C +ATOM 859 SG CYS E 7 8.786 4.158 53.834 1.00 14.94 S +ATOM 860 N THR E 8 11.075 1.657 50.068 1.00 17.44 N +ATOM 861 CA THR E 8 11.221 1.030 48.742 1.00 21.42 C +ATOM 862 C THR E 8 11.765 -0.379 48.845 1.00 23.65 C +ATOM 863 O THR E 8 11.647 -1.162 47.885 1.00 25.7 O +ATOM 864 CB THR E 8 12.145 1.919 47.878 1.00 19.32 C +ATOM 865 OG1 THR E 8 13.421 1.894 48.505 1.00 20.61 O +ATOM 866 CG2 THR E 8 11.559 3.319 47.848 1.00 19.25 C +ATOM 867 N SER E 9 12.428 -0.723 49.941 1.00 25.31 N +ATOM 868 CA SER E 9 12.897 -2.074 50.226 1.00 26.74 C +ATOM 869 C SER E 9 12.773 -2.326 51.727 1.00 25.8 C +ATOM 870 O SER E 9 12.859 -1.322 52.451 1.00 26.41 O +ATOM 871 CB SER E 9 14.355 -2.328 49.789 1.00 28.82 C +ATOM 872 OG SER E 9 14.419 -2.006 48.406 1.00 31.83 O +ATOM 873 N ILE E 10 12.708 -3.584 52.149 1.00 23.64 N +ATOM 874 CA ILE E 10 12.610 -3.836 53.591 1.00 23.55 C +ATOM 875 C ILE E 10 13.972 -3.686 54.267 1.00 23.21 C +ATOM 876 O ILE E 10 14.899 -4.520 54.104 1.00 25.5 O +ATOM 877 CB ILE E 10 12.047 -5.249 53.887 1.00 24.63 C +ATOM 878 CG1 ILE E 10 10.623 -5.450 53.360 1.00 25.0 C +ATOM 879 CG2 ILE E 10 12.070 -5.499 55.402 1.00 26.08 C +ATOM 880 CD1 ILE E 10 10.111 -6.893 53.410 1.00 23.77 C +ATOM 881 N CYS E 11 14.158 -2.648 55.083 1.00 18.86 N +ATOM 882 CA CYS E 11 15.420 -2.511 55.798 1.00 18.07 C +ATOM 883 C CYS E 11 15.592 -3.516 56.929 1.00 18.19 C +ATOM 884 O CYS E 11 14.646 -3.784 57.673 1.00 18.77 O +ATOM 885 CB CYS E 11 15.490 -1.073 56.384 1.00 17.01 C +ATOM 886 SG CYS E 11 15.890 0.078 55.010 1.00 16.93 S +ATOM 887 N SER E 12 16.807 -4.047 57.065 1.00 18.21 N +ATOM 888 CA SER E 12 17.186 -4.942 58.148 1.00 19.74 C +ATOM 889 C SER E 12 17.343 -4.106 59.435 1.00 20.16 C +ATOM 890 O SER E 12 17.378 -2.855 59.364 1.00 16.83 O +ATOM 891 CB SER E 12 18.524 -5.646 57.861 1.00 19.59 C +ATOM 892 OG SER E 12 19.586 -4.654 57.954 1.00 18.3 O +ATOM 893 N LEU E 13 17.432 -4.805 60.584 1.00 20.2 N +ATOM 894 CA LEU E 13 17.475 -4.021 61.830 1.00 21.34 C +ATOM 895 C LEU E 13 18.832 -3.298 61.884 1.00 19.79 C +ATOM 896 O LEU E 13 18.929 -2.216 62.458 1.00 18.33 O +ATOM 897 CB LEU E 13 17.281 -4.853 63.094 1.00 24.03 C +ATOM 898 CG LEU E 13 16.031 -5.743 63.144 1.00 26.15 C +ATOM 899 CD1 LEU E 13 16.046 -6.596 64.401 1.00 28.56 C +ATOM 900 CD2 LEU E 13 14.743 -4.934 63.039 1.00 26.66 C +ATOM 901 N TYR E 14 19.831 -3.894 61.222 1.00 18.82 N +ATOM 902 CA TYR E 14 21.067 -3.114 61.198 1.00 17.25 C +ATOM 903 C TYR E 14 20.980 -1.930 60.239 1.00 16.7 C +ATOM 904 O TYR E 14 21.466 -0.841 60.512 1.00 17.44 O +ATOM 905 CB TYR E 14 22.210 -4.038 60.782 1.00 20.18 C +ATOM 906 CG TYR E 14 23.334 -3.888 61.738 1.00 20.0 C +ATOM 907 CD1 TYR E 14 24.294 -2.896 61.544 1.00 20.0 C +ATOM 908 CD2 TYR E 14 23.413 -4.716 62.852 1.00 20.0 C +ATOM 909 CE1 TYR E 14 25.318 -2.731 62.453 1.00 20.0 C +ATOM 910 CE2 TYR E 14 24.438 -4.549 63.766 1.00 20.0 C +ATOM 911 CZ TYR E 14 25.393 -3.548 63.563 1.00 20.0 C +ATOM 912 OH TYR E 14 26.415 -3.382 64.481 1.00 20.0 O +ATOM 913 N GLN E 15 20.304 -1.966 59.096 1.00 16.58 N +ATOM 914 CA GLN E 15 20.107 -0.749 58.317 1.00 16.63 C +ATOM 915 C GLN E 15 19.305 0.303 59.076 1.00 16.39 C +ATOM 916 O GLN E 15 19.572 1.489 58.963 1.00 15.24 O +ATOM 917 CB GLN E 15 19.402 -1.045 56.971 1.00 16.29 C +ATOM 918 CG GLN E 15 20.305 -1.990 56.156 1.00 21.97 C +ATOM 919 CD GLN E 15 19.684 -2.472 54.856 1.00 24.33 C +ATOM 920 OE1 GLN E 15 20.317 -2.296 53.791 1.00 29.18 O +ATOM 921 NE2 GLN E 15 18.540 -3.156 54.878 1.00 22.97 N +ATOM 922 N LEU E 16 18.275 -0.112 59.826 1.00 15.42 N +ATOM 923 CA LEU E 16 17.475 0.830 60.600 1.00 15.27 C +ATOM 924 C LEU E 16 18.323 1.591 61.621 1.00 16.09 C +ATOM 925 O LEU E 16 18.046 2.748 61.979 1.00 13.41 O +ATOM 926 CB LEU E 16 16.325 0.134 61.354 1.00 14.31 C +ATOM 927 CG LEU E 16 15.221 -0.425 60.454 1.00 16.98 C +ATOM 928 CD1 LEU E 16 14.293 -1.362 61.252 1.00 15.54 C +ATOM 929 CD2 LEU E 16 14.456 0.722 59.799 1.00 18.49 C +ATOM 930 N GLU E 17 19.301 0.863 62.168 1.00 17.32 N +ATOM 931 CA GLU E 17 20.207 1.430 63.163 1.00 17.43 C +ATOM 932 C GLU E 17 20.952 2.666 62.647 1.00 15.96 C +ATOM 933 O GLU E 17 21.364 3.483 63.485 1.00 13.76 O +ATOM 934 CB GLU E 17 21.217 0.368 63.631 1.00 21.35 C +ATOM 935 CG GLU E 17 21.094 0.087 65.116 1.00 26.2 C +ATOM 936 CD GLU E 17 22.292 -0.678 65.665 1.00 27.74 C +ATOM 937 OE1 GLU E 17 22.483 -1.830 65.233 1.00 29.3 O +ATOM 938 OE2 GLU E 17 23.020 -0.110 66.511 1.00 29.96 O +ATOM 939 N ASN E 18 21.058 2.849 61.323 1.00 15.29 N +ATOM 940 CA ASN E 18 21.676 4.099 60.839 1.00 17.87 C +ATOM 941 C ASN E 18 20.860 5.329 61.210 1.00 16.18 C +ATOM 942 O ASN E 18 21.362 6.466 61.046 1.00 16.14 O +ATOM 943 CB ASN E 18 21.873 4.036 59.309 1.00 20.28 C +ATOM 944 CG ASN E 18 22.941 2.994 58.979 1.00 21.33 C +ATOM 945 OD1 ASN E 18 23.927 2.837 59.714 1.00 24.41 O +ATOM 946 ND2 ASN E 18 22.821 2.244 57.903 1.00 22.97 N +ATOM 947 N TYR E 19 19.591 5.162 61.623 1.00 15.49 N +ATOM 948 CA TYR E 19 18.754 6.328 61.951 1.00 13.86 C +ATOM 949 C TYR E 19 18.586 6.524 63.463 1.00 14.68 C +ATOM 950 O TYR E 19 17.761 7.339 63.926 1.00 15.27 O +ATOM 951 CB TYR E 19 17.420 6.253 61.185 1.00 14.63 C +ATOM 952 CG TYR E 19 17.693 6.112 59.689 1.00 14.14 C +ATOM 953 CD1 TYR E 19 17.972 7.276 58.945 1.00 16.11 C +ATOM 954 CD2 TYR E 19 17.703 4.886 59.042 1.00 14.85 C +ATOM 955 CE1 TYR E 19 18.272 7.177 57.599 1.00 14.99 C +ATOM 956 CE2 TYR E 19 17.971 4.799 57.683 1.00 15.11 C +ATOM 957 CZ TYR E 19 18.243 5.956 56.983 1.00 16.84 C +ATOM 958 OH TYR E 19 18.507 5.885 55.611 1.00 19.92 O +ATOM 959 N CYS E 20 19.368 5.827 64.254 1.00 12.97 N +ATOM 960 CA CYS E 20 19.384 6.020 65.706 1.00 14.92 C +ATOM 961 C CYS E 20 20.239 7.271 65.996 1.00 16.02 C +ATOM 962 O CYS E 20 21.074 7.642 65.171 1.00 17.16 O +ATOM 963 CB CYS E 20 19.987 4.832 66.453 1.00 14.11 C +ATOM 964 SG CYS E 20 19.102 3.264 66.239 1.00 15.25 S +ATOM 965 N ASN E 21 20.030 7.886 67.131 1.00 15.7 N +ATOM 966 CA ASN E 21 20.879 9.005 67.589 1.00 19.87 C +ATOM 967 C ASN E 21 22.168 8.479 68.213 1.00 20.92 C +ATOM 968 O ASN E 21 22.373 7.272 68.441 1.00 21.04 O +ATOM 969 CB ASN E 21 20.185 9.849 68.645 1.00 19.85 C +ATOM 970 CG ASN E 21 18.912 10.563 68.227 1.00 23.39 C +ATOM 971 OD1 ASN E 21 18.781 10.987 67.076 1.00 24.25 O +ATOM 972 ND2 ASN E 21 17.958 10.718 69.160 1.00 23.26 N +ATOM 973 OXT ASN E 21 23.050 9.364 68.401 1.00 24.4 O +ATOM 975 N PHE F 1 1.175 11.882 49.858 1.00 28.7 N +ATOM 976 CA PHE F 1 1.182 10.446 49.424 1.00 27.98 C +ATOM 977 C PHE F 1 0.888 9.560 50.640 1.00 25.95 C +ATOM 978 O PHE F 1 1.733 9.341 51.537 1.00 23.06 O +ATOM 979 CB PHE F 1 2.494 10.067 48.736 1.00 29.83 C +ATOM 980 CG PHE F 1 2.429 8.760 47.979 1.00 30.98 C +ATOM 981 CD1 PHE F 1 1.301 8.421 47.232 1.00 31.29 C +ATOM 982 CD2 PHE F 1 3.498 7.876 48.017 1.00 31.64 C +ATOM 983 CE1 PHE F 1 1.262 7.210 46.548 1.00 31.99 C +ATOM 984 CE2 PHE F 1 3.462 6.666 47.337 1.00 31.26 C +ATOM 985 CZ PHE F 1 2.333 6.329 46.595 1.00 31.85 C +ATOM 986 N VAL F 2 -0.393 9.164 50.683 1.00 23.03 N +ATOM 987 CA VAL F 2 -0.833 8.293 51.787 1.00 19.6 C +ATOM 988 C VAL F 2 0.040 7.059 52.005 1.00 18.52 C +ATOM 989 O VAL F 2 0.350 6.697 53.169 1.00 12.88 O +ATOM 990 CB VAL F 2 -2.288 7.855 51.511 1.00 21.65 C +ATOM 991 CG1 VAL F 2 -2.662 6.648 52.365 1.00 19.9 C +ATOM 992 CG2 VAL F 2 -3.273 9.024 51.725 1.00 20.66 C +ATOM 993 N ASN F 3 0.474 6.374 50.939 1.00 17.6 N +ATOM 994 CA ASN F 3 1.287 5.161 51.156 1.00 19.51 C +ATOM 995 C ASN F 3 2.587 5.424 51.931 1.00 15.98 C +ATOM 996 O ASN F 3 2.997 4.603 52.787 1.00 13.09 O +ATOM 997 CB ASN F 3 1.582 4.477 49.818 1.00 24.24 C +ATOM 998 CG ASN F 3 0.418 4.339 48.856 1.00 29.73 C +ATOM 999 OD1 ASN F 3 -0.344 5.265 48.512 1.00 30.09 O +ATOM 1000 ND2 ASN F 3 0.276 3.088 48.366 1.00 31.94 N +ATOM 1001 N GLN F 4 3.234 6.558 51.707 1.00 15.0 N +ATOM 1002 CA GLN F 4 4.451 6.935 52.412 1.00 16.19 C +ATOM 1003 C GLN F 4 4.079 7.208 53.881 1.00 15.73 C +ATOM 1004 O GLN F 4 4.802 6.834 54.807 1.00 16.71 O +ATOM 1005 CB GLN F 4 5.186 8.155 51.801 1.00 18.57 C +ATOM 1006 CG GLN F 4 6.236 8.657 52.806 1.00 21.93 C +ATOM 1007 CD GLN F 4 6.937 9.959 52.455 1.00 23.29 C +ATOM 1008 OE1 GLN F 4 7.338 10.696 53.379 1.00 24.34 O +ATOM 1009 NE2 GLN F 4 7.051 10.259 51.160 1.00 22.63 N +ATOM 1010 N HIS F 5 2.916 7.845 54.058 1.00 14.7 N +ATOM 1011 CA HIS F 5 2.462 8.168 55.420 1.00 13.41 C +ATOM 1012 C HIS F 5 2.230 6.881 56.196 1.00 13.28 C +ATOM 1013 O HIS F 5 2.751 6.808 57.321 1.00 14.83 O +ATOM 1014 CB HIS F 5 1.194 9.046 55.360 1.00 15.28 C +ATOM 1015 CG HIS F 5 0.743 9.363 56.771 1.00 19.37 C +ATOM 1016 ND1 HIS F 5 1.312 10.418 57.451 1.00 20.75 N +ATOM 1017 CD2 HIS F 5 -0.099 8.720 57.615 1.00 20.92 C +ATOM 1018 CE1 HIS F 5 0.786 10.440 58.676 1.00 22.19 C +ATOM 1019 NE2 HIS F 5 -0.079 9.433 58.802 1.00 23.47 N +ATOM 1020 N LEU F 6 1.695 5.809 55.618 1.00 12.42 N +ATOM 1021 CA LEU F 6 1.545 4.527 56.294 1.00 11.25 C +ATOM 1022 C LEU F 6 2.902 3.860 56.571 1.00 13.83 C +ATOM 1023 O LEU F 6 3.118 3.326 57.681 1.00 14.35 O +ATOM 1024 CB LEU F 6 0.632 3.564 55.517 1.00 12.24 C +ATOM 1025 CG LEU F 6 -0.778 4.123 55.195 1.00 15.44 C +ATOM 1026 CD1 LEU F 6 -1.700 2.989 54.680 1.00 16.14 C +ATOM 1027 CD2 LEU F 6 -1.429 4.821 56.363 1.00 13.43 C +ATOM 1028 N CYS F 7 3.803 3.886 55.583 1.00 11.23 N +ATOM 1029 CA CYS F 7 5.120 3.289 55.791 1.00 11.76 C +ATOM 1030 C CYS F 7 5.829 3.959 56.966 1.00 10.94 C +ATOM 1031 O CYS F 7 6.445 3.315 57.816 1.00 10.38 O +ATOM 1032 CB CYS F 7 5.963 3.484 54.509 1.00 13.36 C +ATOM 1033 SG CYS F 7 7.613 2.692 54.616 1.00 14.17 S +ATOM 1034 N GLY F 8 5.780 5.296 56.963 1.00 10.59 N +ATOM 1035 CA GLY F 8 6.538 6.072 57.974 1.00 10.66 C +ATOM 1036 C GLY F 8 5.971 5.703 59.365 1.00 11.85 C +ATOM 1037 O GLY F 8 6.799 5.680 60.302 1.00 11.48 O +ATOM 1038 N SER F 9 4.665 5.451 59.477 1.00 10.35 N +ATOM 1039 CA SER F 9 4.159 5.063 60.834 1.00 11.74 C +ATOM 1040 C SER F 9 4.855 3.815 61.365 1.00 13.4 C +ATOM 1041 O SER F 9 5.315 3.690 62.539 1.00 12.84 O +ATOM 1042 CB SER F 9 2.633 4.910 60.752 1.00 15.28 C +ATOM 1043 OG SER F 9 2.124 4.106 61.836 1.00 19.37 O +ATOM 1044 N HIS F 10 5.063 2.797 60.504 1.00 7.61 N +ATOM 1045 CA HIS F 10 5.729 1.560 60.854 1.00 9.46 C +ATOM 1046 C HIS F 10 7.229 1.785 61.074 1.00 10.01 C +ATOM 1047 O HIS F 10 7.844 1.069 61.883 1.00 10.08 O +ATOM 1048 CB HIS F 10 5.445 0.510 59.767 1.00 9.75 C +ATOM 1049 CG HIS F 10 3.994 0.081 59.740 1.00 12.15 C +ATOM 1050 ND1 HIS F 10 3.472 -0.898 60.552 1.00 15.23 N +ATOM 1051 CD2 HIS F 10 2.966 0.542 59.008 1.00 12.75 C +ATOM 1052 CE1 HIS F 10 2.162 -1.041 60.317 1.00 15.4 C +ATOM 1053 NE2 HIS F 10 1.843 -0.174 59.346 1.00 14.25 N +ATOM 1054 N LEU F 11 7.843 2.646 60.229 1.00 10.02 N +ATOM 1055 CA LEU F 11 9.274 2.895 60.404 1.00 10.63 C +ATOM 1056 C LEU F 11 9.581 3.478 61.794 1.00 10.07 C +ATOM 1057 O LEU F 11 10.575 3.031 62.410 1.00 10.97 O +ATOM 1058 CB LEU F 11 9.735 3.954 59.394 1.00 11.15 C +ATOM 1059 CG LEU F 11 9.987 3.371 57.998 1.00 12.33 C +ATOM 1060 CD1 LEU F 11 10.347 4.553 57.089 1.00 13.12 C +ATOM 1061 CD2 LEU F 11 11.117 2.364 58.056 1.00 14.55 C +ATOM 1062 N VAL F 12 8.724 4.384 62.225 1.00 9.94 N +ATOM 1063 CA VAL F 12 8.935 5.019 63.560 1.00 12.61 C +ATOM 1064 C VAL F 12 8.760 4.029 64.700 1.00 12.38 C +ATOM 1065 O VAL F 12 9.581 4.081 65.653 1.00 12.23 O +ATOM 1066 CB VAL F 12 8.018 6.262 63.664 1.00 16.11 C +ATOM 1067 CG1 VAL F 12 7.843 6.684 65.106 1.00 18.75 C +ATOM 1068 CG2 VAL F 12 8.627 7.409 62.838 1.00 13.49 C +ATOM 1069 N GLU F 13 7.859 3.058 64.591 1.00 12.57 N +ATOM 1070 CA GLU F 13 7.686 1.990 65.602 1.00 13.49 C +ATOM 1071 C GLU F 13 8.935 1.092 65.576 1.00 14.09 C +ATOM 1072 O GLU F 13 9.470 0.707 66.623 1.00 11.76 O +ATOM 1073 CB GLU F 13 6.440 1.139 65.443 1.00 16.36 C +ATOM 1074 CG GLU F 13 6.361 -0.044 66.420 1.00 19.63 C +ATOM 1075 CD GLU F 13 6.292 0.431 67.875 1.00 19.02 C +ATOM 1076 OE1 GLU F 13 5.272 1.128 68.109 1.00 22.08 O +ATOM 1077 OE2 GLU F 13 7.159 0.159 68.735 1.00 16.43 O +ATOM 1078 N ALA F 14 9.427 0.792 64.363 1.00 10.92 N +ATOM 1079 CA ALA F 14 10.673 -0.020 64.289 1.00 11.58 C +ATOM 1080 C ALA F 14 11.863 0.714 64.884 1.00 10.64 C +ATOM 1081 O ALA F 14 12.681 0.078 65.613 1.00 12.42 O +ATOM 1082 CB ALA F 14 10.935 -0.450 62.858 1.00 10.81 C +ATOM 1083 N LEU F 15 12.088 1.983 64.558 1.00 10.13 N +ATOM 1084 CA LEU F 15 13.201 2.739 65.147 1.00 10.02 C +ATOM 1085 C LEU F 15 13.092 2.804 66.687 1.00 10.88 C +ATOM 1086 O LEU F 15 14.142 2.659 67.344 1.00 13.69 O +ATOM 1087 CB LEU F 15 13.259 4.183 64.626 1.00 9.67 C +ATOM 1088 CG LEU F 15 13.556 4.285 63.119 1.00 11.95 C +ATOM 1089 CD1 LEU F 15 13.353 5.717 62.667 1.00 12.08 C +ATOM 1090 CD2 LEU F 15 14.991 3.749 62.838 1.00 11.24 C +ATOM 1091 N TYR F 16 11.858 2.984 67.152 1.00 9.69 N +ATOM 1092 CA TYR F 16 11.717 3.017 68.639 1.00 11.14 C +ATOM 1093 C TYR F 16 12.309 1.758 69.261 1.00 10.8 C +ATOM 1094 O TYR F 16 13.026 1.846 70.301 1.00 8.54 O +ATOM 1095 CB TYR F 16 10.246 3.240 68.978 1.00 11.04 C +ATOM 1096 CG TYR F 16 9.968 3.134 70.477 1.00 11.09 C +ATOM 1097 CD1 TYR F 16 10.284 4.229 71.273 1.00 12.1 C +ATOM 1098 CD2 TYR F 16 9.400 1.998 71.027 1.00 11.64 C +ATOM 1099 CE1 TYR F 16 10.045 4.167 72.639 1.00 13.07 C +ATOM 1100 CE2 TYR F 16 9.150 1.943 72.403 1.00 13.79 C +ATOM 1101 CZ TYR F 16 9.449 3.051 73.179 1.00 13.22 C +ATOM 1102 OH TYR F 16 9.222 3.053 74.539 1.00 14.88 O +ATOM 1103 N LEU F 17 11.964 0.582 68.752 1.00 10.88 N +ATOM 1104 CA LEU F 17 12.429 -0.697 69.303 1.00 13.78 C +ATOM 1105 C LEU F 17 13.922 -0.906 69.068 1.00 14.31 C +ATOM 1106 O LEU F 17 14.692 -1.270 69.981 1.00 13.68 O +ATOM 1107 CB LEU F 17 11.629 -1.869 68.689 1.00 12.64 C +ATOM 1108 CG LEU F 17 11.896 -3.286 69.237 1.00 13.67 C +ATOM 1110 CD1 LEU F 17 11.571 -3.345 70.723 1.00 14.16 C +ATOM 1112 CD2 LEU F 17 11.106 -4.343 68.478 1.00 14.48 C +ATOM 1114 N VAL F 18 14.368 -0.671 67.833 1.00 13.17 N +ATOM 1115 CA VAL F 18 15.775 -0.886 67.489 1.00 13.16 C +ATOM 1116 C VAL F 18 16.729 0.010 68.271 1.00 12.6 C +ATOM 1117 O VAL F 18 17.807 -0.441 68.724 1.00 11.64 O +ATOM 1118 CB VAL F 18 16.009 -0.678 65.974 1.00 14.47 C +ATOM 1119 CG1 VAL F 18 17.502 -0.631 65.608 1.00 18.24 C +ATOM 1120 CG2 VAL F 18 15.383 -1.833 65.196 1.00 16.06 C +ATOM 1121 N CYS F 19 16.413 1.282 68.401 1.00 11.01 N +ATOM 1122 CA CYS F 19 17.325 2.283 68.936 1.00 12.7 C +ATOM 1123 C CYS F 19 17.379 2.371 70.466 1.00 15.4 C +ATOM 1124 O CYS F 19 18.363 2.949 70.943 1.00 18.24 O +ATOM 1125 CB CYS F 19 16.964 3.684 68.397 1.00 11.43 C +ATOM 1126 SG CYS F 19 17.162 3.720 66.570 1.00 13.84 S +ATOM 1127 N GLY F 20 16.387 1.844 71.133 1.00 16.89 N +ATOM 1128 CA GLY F 20 16.417 1.872 72.616 1.00 18.21 C +ATOM 1129 C GLY F 20 16.749 3.271 73.121 1.00 18.37 C +ATOM 1130 O GLY F 20 16.143 4.291 72.720 1.00 15.48 O +ATOM 1131 N GLU F 21 17.557 3.279 74.219 1.00 18.68 N +ATOM 1132 CA GLU F 21 17.863 4.557 74.873 1.00 20.83 C +ATOM 1133 C GLU F 21 18.542 5.613 74.044 1.00 20.93 C +ATOM 1134 O GLU F 21 18.513 6.790 74.435 1.00 21.98 O +ATOM 1135 CB GLU F 21 18.777 4.233 76.111 1.00 22.95 C +ATOM 1136 CG GLU F 21 17.833 3.594 77.145 1.00 24.36 C +ATOM 1137 CD GLU F 21 18.496 3.497 78.515 1.00 24.54 C +ATOM 1138 OE1 GLU F 21 19.720 3.736 78.622 1.00 24.48 O +ATOM 1139 OE2 GLU F 21 17.740 3.169 79.452 1.00 25.19 O +ATOM 1140 N ARG F 22 19.161 5.315 72.903 1.00 20.67 N +ATOM 1141 CA ARG F 22 19.751 6.351 72.052 1.00 21.14 C +ATOM 1142 C ARG F 22 18.643 7.246 71.478 1.00 21.38 C +ATOM 1143 O ARG F 22 18.870 8.420 71.185 1.00 19.91 O +ATOM 1144 CB ARG F 22 20.563 5.746 70.900 1.00 22.63 C +ATOM 1145 CG ARG F 22 21.542 4.642 71.332 1.00 23.72 C +ATOM 1146 CD ARG F 22 22.090 3.891 70.113 1.00 24.2 C +ATOM 1147 NE ARG F 22 21.348 2.623 69.942 1.00 25.95 N +ATOM 1148 CZ ARG F 22 21.593 1.852 68.868 1.00 26.47 C +ATOM 1149 NH1 ARG F 22 22.472 2.350 67.997 1.00 26.03 N +ATOM 1150 NH2 ARG F 22 20.957 0.698 68.701 1.00 25.31 N +ATOM 1151 N GLY F 23 17.488 6.611 71.243 1.00 19.7 N +ATOM 1152 CA GLY F 23 16.414 7.371 70.562 1.00 17.61 C +ATOM 1153 C GLY F 23 16.847 7.464 69.086 1.00 16.54 C +ATOM 1154 O GLY F 23 17.884 6.924 68.669 1.00 15.23 O +ATOM 1155 N PHE F 24 16.032 8.168 68.325 1.00 16.91 N +ATOM 1156 CA PHE F 24 16.315 8.294 66.888 1.00 15.87 C +ATOM 1157 C PHE F 24 15.852 9.606 66.311 1.00 17.99 C +ATOM 1158 O PHE F 24 15.217 10.474 66.953 1.00 17.02 O +ATOM 1159 CB PHE F 24 15.540 7.112 66.264 1.00 16.09 C +ATOM 1160 CG PHE F 24 14.046 7.169 66.492 1.00 15.15 C +ATOM 1161 CD1 PHE F 24 13.215 7.881 65.615 1.00 15.33 C +ATOM 1162 CD2 PHE F 24 13.447 6.481 67.534 1.00 14.42 C +ATOM 1163 CE1 PHE F 24 11.838 7.901 65.847 1.00 14.52 C +ATOM 1164 CE2 PHE F 24 12.072 6.520 67.751 1.00 13.51 C +ATOM 1165 CZ PHE F 24 11.245 7.230 66.906 1.00 13.88 C +ATOM 1166 N PHE F 25 16.083 9.730 64.989 1.00 16.3 N +ATOM 1167 CA PHE F 25 15.531 10.899 64.307 1.00 16.98 C +ATOM 1168 C PHE F 25 14.727 10.413 63.098 1.00 17.61 C +ATOM 1169 O PHE F 25 15.092 9.463 62.368 1.00 17.29 O +ATOM 1170 CB PHE F 25 16.644 11.874 63.924 1.00 17.73 C +ATOM 1171 CG PHE F 25 17.684 11.178 63.054 1.00 18.64 C +ATOM 1172 CD1 PHE F 25 18.710 10.447 63.621 1.00 18.25 C +ATOM 1173 CD2 PHE F 25 17.571 11.301 61.672 1.00 18.65 C +ATOM 1174 CE1 PHE F 25 19.646 9.824 62.789 1.00 20.03 C +ATOM 1175 CE2 PHE F 25 18.507 10.673 60.858 1.00 18.72 C +ATOM 1176 CZ PHE F 25 19.535 9.941 61.417 1.00 19.09 C +ATOM 1177 N TYR F 26 13.595 11.097 62.939 1.00 15.7 N +ATOM 1178 CA TYR F 26 12.729 10.825 61.805 1.00 17.85 C +ATOM 1179 C TYR F 26 12.480 12.102 61.006 1.00 20.03 C +ATOM 1180 O TYR F 26 12.036 13.127 61.556 1.00 17.09 O +ATOM 1181 CB TYR F 26 11.377 10.266 62.318 1.00 19.02 C +ATOM 1182 CG TYR F 26 10.573 9.943 61.051 1.00 19.22 C +ATOM 1183 CD1 TYR F 26 10.888 8.757 60.394 1.00 19.77 C +ATOM 1184 CD2 TYR F 26 9.601 10.785 60.556 1.00 17.31 C +ATOM 1185 CE1 TYR F 26 10.186 8.410 59.243 1.00 21.15 C +ATOM 1186 CE2 TYR F 26 8.903 10.435 59.397 1.00 19.77 C +ATOM 1187 CZ TYR F 26 9.217 9.251 58.757 1.00 20.16 C +ATOM 1188 OH TYR F 26 8.541 8.864 57.604 1.00 23.69 O +ATOM 1189 N THR F 27 12.830 12.064 59.715 1.00 21.01 N +ATOM 1190 CA THR F 27 12.423 13.198 58.848 1.00 24.53 C +ATOM 1191 C THR F 27 11.870 12.592 57.557 1.00 24.83 C +ATOM 1192 O THR F 27 12.528 11.745 56.957 1.00 24.15 O +ATOM 1193 CB THR F 27 13.579 14.177 58.600 1.00 27.41 C +ATOM 1194 OG1 THR F 27 13.934 14.829 59.832 1.00 29.49 O +ATOM 1195 CG2 THR F 27 13.201 15.266 57.593 1.00 28.35 C +ATOM 1196 N PRO F 28 10.660 12.947 57.170 1.00 27.53 N +ATOM 1197 CA PRO F 28 9.925 12.478 56.015 1.00 29.03 C +ATOM 1198 C PRO F 28 10.504 13.037 54.732 1.00 30.38 C +ATOM 1199 O PRO F 28 11.219 14.031 54.719 1.00 29.66 O +ATOM 1200 CB PRO F 28 8.469 12.911 56.154 1.00 28.95 C +ATOM 1201 CG PRO F 28 8.337 13.785 57.387 1.00 28.96 C +ATOM 1202 CD PRO F 28 9.861 13.956 57.851 1.00 27.51 C +ATOM 1203 N LYS F 29 10.198 12.334 53.628 1.00 33.12 N +ATOM 1204 CA LYS F 29 10.714 12.838 52.348 1.00 35.96 C +ATOM 1205 C LYS F 29 10.077 14.179 51.963 1.00 38.15 C +ATOM 1206 O LYS F 29 9.659 14.965 52.801 1.00 20.0 O +ATOM 1207 CB LYS F 29 10.419 11.798 51.267 1.00 20.0 C +ATOM 1208 CG LYS F 29 9.985 12.440 49.948 1.00 20.0 C +ATOM 1209 CD LYS F 29 11.011 12.234 48.844 1.00 20.0 C +ATOM 1210 CE LYS F 29 11.311 13.518 48.094 1.00 20.0 C +ATOM 1211 NZ LYS F 29 11.869 13.184 46.790 1.00 20.0 N +ATOM 1212 OXT LYS F 29 9.955 14.531 50.799 1.00 41.27 O +ATOM 1214 N GLY G 1 12.506 15.301 80.111 1.00 22.75 N +ATOM 1215 CA GLY G 1 12.215 15.090 78.642 1.00 21.69 C +ATOM 1216 C GLY G 1 10.802 14.568 78.424 1.00 19.53 C +ATOM 1217 O GLY G 1 9.927 14.573 79.310 1.00 18.89 O +ATOM 1218 N ILE G 2 10.554 14.154 77.166 1.00 15.69 N +ATOM 1219 CA ILE G 2 9.211 13.746 76.792 1.00 14.02 C +ATOM 1220 C ILE G 2 8.687 12.581 77.612 1.00 14.5 C +ATOM 1221 O ILE G 2 7.465 12.572 77.860 1.00 14.09 O +ATOM 1222 CB ILE G 2 9.200 13.468 75.251 1.00 13.63 C +ATOM 1223 CG1 ILE G 2 7.750 13.529 74.751 1.00 13.98 C +ATOM 1224 CG2 ILE G 2 9.935 12.152 74.964 1.00 15.56 C +ATOM 1225 CD1 ILE G 2 7.611 13.292 73.234 1.00 16.07 C +ATOM 1226 N VAL G 3 9.545 11.613 77.982 1.00 14.66 N +ATOM 1227 CA VAL G 3 9.012 10.463 78.746 1.00 16.13 C +ATOM 1228 C VAL G 3 8.582 10.910 80.153 1.00 16.53 C +ATOM 1229 O VAL G 3 7.422 10.626 80.534 1.00 17.43 O +ATOM 1230 CB VAL G 3 10.040 9.330 78.812 1.00 18.1 C +ATOM 1231 CG1 VAL G 3 9.491 8.193 79.681 1.00 17.72 C +ATOM 1232 CG2 VAL G 3 10.369 8.819 77.400 1.00 18.54 C +ATOM 1233 N GLU G 4 9.398 11.727 80.806 1.00 15.79 N +ATOM 1234 CA GLU G 4 8.904 12.133 82.130 1.00 17.57 C +ATOM 1235 C GLU G 4 7.725 13.116 82.040 1.00 18.2 C +ATOM 1236 O GLU G 4 6.782 13.059 82.819 1.00 20.13 O +ATOM 1237 CB GLU G 4 10.061 12.781 82.904 1.00 20.65 C +ATOM 1238 CG GLU G 4 9.609 13.347 84.259 1.00 20.0 C +ATOM 1239 CD GLU G 4 10.726 14.184 84.867 1.00 20.0 C +ATOM 1240 OE1 GLU G 4 11.786 14.282 84.263 1.00 20.0 O +ATOM 1241 OE2 GLU G 4 10.522 14.732 85.959 1.00 20.0 O +ATOM 1242 N GLN G 5 7.612 13.986 81.028 1.00 14.99 N +ATOM 1243 CA GLN G 5 6.443 14.858 80.901 1.00 15.3 C +ATOM 1244 C GLN G 5 5.197 14.089 80.466 1.00 15.37 C +ATOM 1245 O GLN G 5 4.107 14.213 81.055 1.00 15.35 O +ATOM 1246 CB GLN G 5 6.681 16.005 79.887 1.00 18.25 C +ATOM 1247 CG GLN G 5 5.354 16.758 79.693 1.00 21.82 C +ATOM 1248 CD GLN G 5 5.332 17.939 78.744 1.00 24.19 C +ATOM 1249 OE1 GLN G 5 4.340 18.712 78.769 1.00 26.15 O +ATOM 1250 NE2 GLN G 5 6.343 18.137 77.909 1.00 23.02 N +ATOM 1251 N CYS G 6 5.325 13.303 79.366 1.00 13.86 N +ATOM 1252 CA CYS G 6 4.125 12.709 78.774 1.00 13.45 C +ATOM 1253 C CYS G 6 3.853 11.244 79.104 1.00 11.91 C +ATOM 1254 O CYS G 6 2.827 10.740 78.628 1.00 13.8 O +ATOM 1255 CB CYS G 6 4.200 12.859 77.223 1.00 13.87 C +ATOM 1256 SG CYS G 6 4.399 14.637 76.785 1.00 14.41 S +ATOM 1257 N CYS G 7 4.635 10.600 79.990 1.00 11.0 N +ATOM 1258 CA CYS G 7 4.130 9.307 80.486 1.00 12.08 C +ATOM 1259 C CYS G 7 3.628 9.377 81.939 1.00 14.15 C +ATOM 1260 O CYS G 7 3.100 8.421 82.484 1.00 13.7 O +ATOM 1261 CB CYS G 7 5.253 8.278 80.378 1.00 12.28 C +ATOM 1262 SG CYS G 7 5.587 7.807 78.668 1.00 15.04 S +ATOM 1263 N THR G 8 3.863 10.536 82.581 1.00 15.04 N +ATOM 1264 CA THR G 8 3.326 10.734 83.925 1.00 18.03 C +ATOM 1265 C THR G 8 2.008 11.489 83.869 1.00 18.34 C +ATOM 1266 O THR G 8 1.202 11.487 84.788 1.00 17.74 O +ATOM 1267 CB THR G 8 4.343 11.530 84.742 1.00 18.48 C +ATOM 1268 OG1 THR G 8 4.620 12.759 84.070 1.00 21.17 O +ATOM 1269 CG2 THR G 8 5.644 10.737 84.873 1.00 20.21 C +ATOM 1270 N SER G 9 1.830 12.189 82.746 1.00 15.53 N +ATOM 1271 CA SER G 9 0.575 12.865 82.495 1.00 16.76 C +ATOM 1272 C SER G 9 0.277 12.878 81.000 1.00 15.0 C +ATOM 1273 O SER G 9 1.169 12.903 80.159 1.00 14.57 O +ATOM 1274 CB SER G 9 0.694 14.300 83.020 1.00 19.65 C +ATOM 1275 OG SER G 9 -0.612 14.842 83.225 1.00 23.85 O +ATOM 1276 N ILE G 10 -1.018 12.797 80.669 1.00 15.41 N +ATOM 1277 CA ILE G 10 -1.392 12.845 79.262 1.00 14.31 C +ATOM 1278 C ILE G 10 -0.994 14.172 78.629 1.00 15.17 C +ATOM 1279 O ILE G 10 -1.369 15.247 79.083 1.00 16.46 O +ATOM 1280 CB ILE G 10 -2.902 12.646 79.156 1.00 16.55 C +ATOM 1281 CG1 ILE G 10 -3.294 11.282 79.717 1.00 15.32 C +ATOM 1282 CG2 ILE G 10 -3.331 12.688 77.677 1.00 18.05 C +ATOM 1283 CD1 ILE G 10 -4.803 11.034 79.635 1.00 16.08 C +ATOM 1284 N CYS G 11 -0.320 14.058 77.477 1.00 12.77 N +ATOM 1285 CA CYS G 11 0.047 15.287 76.756 1.00 12.85 C +ATOM 1286 C CYS G 11 -0.905 15.459 75.574 1.00 14.02 C +ATOM 1287 O CYS G 11 -1.136 14.451 74.893 1.00 14.14 O +ATOM 1288 CB CYS G 11 1.473 15.172 76.210 1.00 12.56 C +ATOM 1289 SG CYS G 11 2.735 15.473 77.468 1.00 14.84 S +ATOM 1290 N SER G 12 -1.407 16.682 75.407 1.00 13.44 N +ATOM 1291 CA SER G 12 -2.278 16.916 74.255 1.00 14.77 C +ATOM 1292 C SER G 12 -1.429 16.914 72.984 1.00 13.94 C +ATOM 1293 O SER G 12 -0.198 17.029 73.093 1.00 14.19 O +ATOM 1294 CB SER G 12 -2.974 18.281 74.477 1.00 13.66 C +ATOM 1295 OG SER G 12 -1.917 19.264 74.389 1.00 15.93 O +ATOM 1296 N LEU G 13 -2.083 16.985 71.820 1.00 14.7 N +ATOM 1297 CA LEU G 13 -1.281 17.096 70.579 1.00 16.04 C +ATOM 1298 C LEU G 13 -0.485 18.410 70.629 1.00 13.5 C +ATOM 1299 O LEU G 13 0.591 18.513 70.018 1.00 13.56 O +ATOM 1300 CB LEU G 13 -2.143 17.037 69.317 1.00 18.89 C +ATOM 1301 CG LEU G 13 -3.345 16.090 69.153 1.00 20.41 C +ATOM 1303 CD1 LEU G 13 -4.587 16.988 68.898 1.00 21.01 C +ATOM 1305 CD2 LEU G 13 -3.250 15.164 67.923 1.00 21.43 C +ATOM 1307 N TYR G 14 -0.989 19.436 71.342 1.00 13.28 N +ATOM 1308 CA TYR G 14 -0.286 20.748 71.380 1.00 12.48 C +ATOM 1309 C TYR G 14 0.980 20.711 72.223 1.00 13.37 C +ATOM 1310 O TYR G 14 1.993 21.369 71.908 1.00 12.54 O +ATOM 1311 CB TYR G 14 -1.227 21.875 71.849 1.00 13.23 C +ATOM 1312 CG TYR G 14 -2.473 21.959 70.994 1.00 16.23 C +ATOM 1313 CD1 TYR G 14 -2.452 22.761 69.841 1.00 18.63 C +ATOM 1314 CD2 TYR G 14 -3.614 21.239 71.270 1.00 16.24 C +ATOM 1315 CE1 TYR G 14 -3.576 22.844 69.021 1.00 20.51 C +ATOM 1316 CE2 TYR G 14 -4.731 21.308 70.476 1.00 19.08 C +ATOM 1317 CZ TYR G 14 -4.702 22.117 69.347 1.00 21.93 C +ATOM 1318 OH TYR G 14 -5.846 22.150 68.573 1.00 25.41 O +ATOM 1319 N GLN G 15 0.919 19.919 73.305 1.00 11.59 N +ATOM 1320 CA GLN G 15 2.079 19.737 74.170 1.00 12.33 C +ATOM 1321 C GLN G 15 3.089 18.851 73.432 1.00 13.66 C +ATOM 1322 O GLN G 15 4.299 19.039 73.563 1.00 16.01 O +ATOM 1323 CB GLN G 15 1.735 19.050 75.503 1.00 12.22 C +ATOM 1324 CG GLN G 15 0.955 20.019 76.413 1.00 14.07 C +ATOM 1325 CD GLN G 15 0.304 19.316 77.610 1.00 14.13 C +ATOM 1326 OE1 GLN G 15 0.651 19.770 78.735 1.00 18.18 O +ATOM 1327 NE2 GLN G 15 -0.592 18.372 77.404 1.00 13.42 N +ATOM 1328 N LEU G 16 2.516 17.913 72.662 1.00 12.08 N +ATOM 1329 CA LEU G 16 3.468 17.045 71.911 1.00 13.41 C +ATOM 1330 C LEU G 16 4.208 17.821 70.826 1.00 14.4 C +ATOM 1331 O LEU G 16 5.387 17.594 70.514 1.00 12.96 O +ATOM 1332 CB LEU G 16 2.702 15.863 71.313 1.00 13.29 C +ATOM 1333 CG LEU G 16 2.237 14.769 72.285 1.00 17.19 C +ATOM 1334 CD1 LEU G 16 1.340 13.794 71.504 1.00 16.47 C +ATOM 1335 CD2 LEU G 16 3.452 14.109 72.968 1.00 17.43 C +ATOM 1336 N GLU G 17 3.524 18.775 70.216 1.00 14.09 N +ATOM 1337 CA GLU G 17 4.062 19.612 69.150 1.00 15.05 C +ATOM 1338 C GLU G 17 5.337 20.334 69.562 1.00 15.67 C +ATOM 1339 O GLU G 17 6.259 20.601 68.761 1.00 14.19 O +ATOM 1340 CB GLU G 17 2.979 20.629 68.744 1.00 18.0 C +ATOM 1341 CG GLU G 17 3.300 21.243 67.378 1.00 18.98 C +ATOM 1342 CD GLU G 17 2.366 22.400 67.047 1.00 24.06 C +ATOM 1343 OE1 GLU G 17 1.637 22.899 67.928 1.00 22.13 O +ATOM 1344 OE2 GLU G 17 2.370 22.818 65.853 1.00 26.31 O +ATOM 1345 N ASN G 18 5.456 20.579 70.876 1.00 15.31 N +ATOM 1346 CA ASN G 18 6.696 21.193 71.369 1.00 17.0 C +ATOM 1347 C ASN G 18 7.953 20.393 71.028 1.00 18.23 C +ATOM 1348 O ASN G 18 9.064 20.954 70.870 1.00 17.86 O +ATOM 1349 CB ASN G 18 6.570 21.334 72.888 1.00 19.95 C +ATOM 1350 CG ASN G 18 5.664 22.502 73.204 1.00 22.23 C +ATOM 1351 OD1 ASN G 18 5.473 23.421 72.413 1.00 23.08 O +ATOM 1352 ND2 ASN G 18 5.090 22.447 74.417 1.00 22.62 N +ATOM 1353 N TYR G 19 7.795 19.051 70.950 1.00 15.54 N +ATOM 1354 CA TYR G 19 8.969 18.191 70.687 1.00 15.83 C +ATOM 1355 C TYR G 19 9.270 18.014 69.196 1.00 15.86 C +ATOM 1356 O TYR G 19 10.262 17.333 68.818 1.00 17.08 O +ATOM 1357 CB TYR G 19 8.683 16.821 71.321 1.00 16.5 C +ATOM 1358 CG TYR G 19 8.674 16.945 72.833 1.00 16.64 C +ATOM 1359 CD1 TYR G 19 9.871 16.922 73.545 1.00 16.2 C +ATOM 1360 CD2 TYR G 19 7.465 17.066 73.523 1.00 17.12 C +ATOM 1361 CE1 TYR G 19 9.861 17.015 74.930 1.00 16.64 C +ATOM 1362 CE2 TYR G 19 7.455 17.159 74.909 1.00 17.21 C +ATOM 1363 CZ TYR G 19 8.648 17.134 75.610 1.00 16.66 C +ATOM 1364 OH TYR G 19 8.651 17.239 76.987 1.00 17.33 O +ATOM 1365 N CYS G 20 8.516 18.624 68.294 1.00 16.38 N +ATOM 1366 CA CYS G 20 8.754 18.550 66.866 1.00 14.21 C +ATOM 1367 C CYS G 20 9.985 19.368 66.466 1.00 17.18 C +ATOM 1368 O CYS G 20 10.320 20.345 67.131 1.00 15.81 O +ATOM 1369 CB CYS G 20 7.566 19.090 66.046 1.00 13.59 C +ATOM 1370 SG CYS G 20 6.065 18.098 66.343 1.00 13.53 S +ATOM 1371 N ASN G 21 10.500 19.075 65.288 1.00 18.09 N +ATOM 1372 CA ASN G 21 11.544 19.916 64.691 1.00 21.46 C +ATOM 1373 C ASN G 21 10.966 21.231 64.198 1.00 22.93 C +ATOM 1374 O ASN G 21 11.713 22.233 64.094 1.00 26.87 O +ATOM 1375 CB ASN G 21 12.105 19.137 63.497 1.00 22.31 C +ATOM 1376 CG ASN G 21 13.116 18.072 63.836 1.00 23.16 C +ATOM 1377 OD1 ASN G 21 13.672 18.027 64.946 1.00 23.63 O +ATOM 1378 ND2 ASN G 21 13.359 17.216 62.825 1.00 23.36 N +ATOM 1379 OXT ASN G 21 9.761 21.330 63.905 1.00 23.41 O +ATOM 1381 N PHE H 1 11.577 -0.737 83.108 1.00 17.85 N +ATOM 1382 CA PHE H 1 10.133 -0.556 83.472 1.00 16.97 C +ATOM 1383 C PHE H 1 9.197 -0.770 82.286 1.00 15.29 C +ATOM 1384 O PHE H 1 9.172 0.055 81.368 1.00 15.93 O +ATOM 1385 CB PHE H 1 10.061 0.873 84.000 1.00 19.31 C +ATOM 1386 CG PHE H 1 8.773 1.434 84.497 1.00 19.56 C +ATOM 1387 CD1 PHE H 1 7.635 0.665 84.648 1.00 19.85 C +ATOM 1388 CD2 PHE H 1 8.736 2.801 84.806 1.00 19.04 C +ATOM 1389 CE1 PHE H 1 6.447 1.222 85.110 1.00 19.59 C +ATOM 1390 CE2 PHE H 1 7.552 3.361 85.275 1.00 19.29 C +ATOM 1391 CZ PHE H 1 6.410 2.577 85.428 1.00 19.86 C +ATOM 1392 N VAL H 2 8.612 -1.947 82.124 1.00 13.78 N +ATOM 1393 CA VAL H 2 7.846 -2.277 80.928 1.00 14.29 C +ATOM 1394 C VAL H 2 6.793 -1.201 80.642 1.00 13.72 C +ATOM 1395 O VAL H 2 6.704 -0.827 79.470 1.00 13.3 O +ATOM 1396 CB VAL H 2 7.196 -3.668 81.027 1.00 14.31 C +ATOM 1397 CG1 VAL H 2 6.345 -4.031 79.811 1.00 15.28 C +ATOM 1398 CG2 VAL H 2 8.301 -4.718 81.264 1.00 14.82 C +ATOM 1399 N ASN H 3 6.014 -0.740 81.626 1.00 14.96 N +ATOM 1400 CA ASN H 3 4.986 0.277 81.278 1.00 15.52 C +ATOM 1401 C ASN H 3 5.599 1.505 80.609 1.00 11.56 C +ATOM 1402 O ASN H 3 4.967 2.113 79.718 1.00 12.05 O +ATOM 1403 CB ASN H 3 4.161 0.687 82.513 1.00 19.13 C +ATOM 1404 CG ASN H 3 2.682 0.749 82.210 1.00 25.48 C +ATOM 1405 OD1 ASN H 3 1.734 0.640 83.012 1.00 28.59 O +ATOM 1406 ND2 ASN H 3 2.453 0.941 80.893 1.00 27.67 N +ATOM 1407 N GLN H 4 6.800 1.931 81.017 1.00 13.09 N +ATOM 1408 CA GLN H 4 7.502 3.042 80.400 1.00 13.97 C +ATOM 1409 C GLN H 4 7.819 2.694 78.931 1.00 13.24 C +ATOM 1410 O GLN H 4 7.688 3.564 78.053 1.00 13.79 O +ATOM 1411 CB GLN H 4 8.811 3.351 81.136 1.00 17.04 C +ATOM 1412 CG GLN H 4 9.621 4.527 80.607 1.00 18.4 C +ATOM 1413 CD GLN H 4 10.912 4.755 81.397 1.00 20.74 C +ATOM 1414 OE1 GLN H 4 11.930 5.226 80.851 1.00 21.39 O +ATOM 1415 NE2 GLN H 4 10.914 4.468 82.683 1.00 20.86 N +ATOM 1416 N HIS H 5 8.229 1.446 78.701 1.00 14.32 N +ATOM 1417 CA HIS H 5 8.534 1.011 77.308 1.00 14.12 C +ATOM 1418 C HIS H 5 7.293 1.060 76.436 1.00 14.43 C +ATOM 1419 O HIS H 5 7.295 1.560 75.275 1.00 16.5 O +ATOM 1420 CB HIS H 5 9.164 -0.381 77.430 1.00 18.23 C +ATOM 1421 CG HIS H 5 9.648 -0.924 76.111 1.00 21.78 C +ATOM 1422 ND1 HIS H 5 10.587 -0.248 75.360 1.00 22.48 N +ATOM 1423 CD2 HIS H 5 9.318 -2.053 75.445 1.00 24.7 C +ATOM 1424 CE1 HIS H 5 10.815 -0.935 74.252 1.00 26.39 C +ATOM 1425 NE2 HIS H 5 10.067 -2.040 74.267 1.00 28.02 N +ATOM 1426 N LEU H 6 6.142 0.641 76.980 1.00 11.61 N +ATOM 1427 CA LEU H 6 4.880 0.618 76.268 1.00 11.78 C +ATOM 1428 C LEU H 6 4.414 2.055 75.991 1.00 13.31 C +ATOM 1429 O LEU H 6 4.055 2.407 74.851 1.00 12.85 O +ATOM 1430 CB LEU H 6 3.739 -0.136 76.978 1.00 12.54 C +ATOM 1431 CG LEU H 6 4.014 -1.602 77.330 1.00 14.17 C +ATOM 1432 CD1 LEU H 6 2.707 -2.207 77.890 1.00 13.16 C +ATOM 1433 CD2 LEU H 6 4.540 -2.411 76.149 1.00 12.98 C +ATOM 1434 N CYS H 7 4.571 2.927 76.999 1.00 11.31 N +ATOM 1435 CA CYS H 7 4.192 4.331 76.835 1.00 11.06 C +ATOM 1436 C CYS H 7 4.982 5.004 75.709 1.00 11.59 C +ATOM 1437 O CYS H 7 4.435 5.645 74.820 1.00 12.44 O +ATOM 1438 CB CYS H 7 4.452 5.053 78.159 1.00 13.23 C +ATOM 1439 SG CYS H 7 3.938 6.784 78.106 1.00 12.76 S +ATOM 1440 N GLY H 8 6.298 4.784 75.660 1.00 10.46 N +ATOM 1441 CA GLY H 8 7.146 5.404 74.625 1.00 11.44 C +ATOM 1442 C GLY H 8 6.692 4.989 73.212 1.00 12.39 C +ATOM 1443 O GLY H 8 6.776 5.854 72.340 1.00 11.62 O +ATOM 1444 N SER H 9 6.223 3.765 73.065 1.00 11.86 N +ATOM 1445 CA SER H 9 5.752 3.282 71.738 1.00 14.16 C +ATOM 1446 C SER H 9 4.632 4.187 71.248 1.00 13.92 C +ATOM 1447 O SER H 9 4.534 4.639 70.105 1.00 13.22 O +ATOM 1448 CB SER H 9 5.274 1.836 71.890 1.00 17.01 C +ATOM 1449 OG SER H 9 4.767 1.300 70.681 1.00 22.59 O +ATOM 1450 N HIS H 10 3.697 4.476 72.174 1.00 10.89 N +ATOM 1451 CA HIS H 10 2.574 5.352 71.833 1.00 11.47 C +ATOM 1452 C HIS H 10 2.996 6.805 71.673 1.00 12.86 C +ATOM 1453 O HIS H 10 2.465 7.520 70.786 1.00 11.87 O +ATOM 1454 CB HIS H 10 1.477 5.275 72.914 1.00 12.09 C +ATOM 1455 CG HIS H 10 0.854 3.905 72.936 1.00 14.56 C +ATOM 1456 ND1 HIS H 10 -0.325 3.646 72.233 1.00 16.89 N +ATOM 1457 CD2 HIS H 10 1.180 2.747 73.566 1.00 12.01 C +ATOM 1458 CE1 HIS H 10 -0.678 2.378 72.436 1.00 16.91 C +ATOM 1459 NE2 HIS H 10 0.197 1.821 73.246 1.00 14.85 N +ATOM 1460 N LEU H 11 3.986 7.279 72.418 1.00 11.32 N +ATOM 1461 CA LEU H 11 4.449 8.647 72.260 1.00 12.14 C +ATOM 1462 C LEU H 11 5.009 8.843 70.834 1.00 9.35 C +ATOM 1463 O LEU H 11 4.738 9.915 70.332 1.00 10.15 O +ATOM 1464 CB LEU H 11 5.640 9.084 73.136 1.00 12.96 C +ATOM 1465 CG LEU H 11 5.283 9.354 74.603 1.00 14.5 C +ATOM 1466 CD1 LEU H 11 6.551 9.633 75.430 1.00 14.75 C +ATOM 1467 CD2 LEU H 11 4.321 10.533 74.702 1.00 16.53 C +ATOM 1468 N VAL H 12 5.819 7.913 70.369 1.00 9.16 N +ATOM 1469 CA VAL H 12 6.422 8.174 69.038 1.00 12.87 C +ATOM 1470 C VAL H 12 5.363 8.127 67.927 1.00 12.48 C +ATOM 1471 O VAL H 12 5.520 8.922 66.951 1.00 11.61 O +ATOM 1472 CB VAL H 12 7.613 7.250 68.718 1.00 15.36 C +ATOM 1473 CG1 VAL H 12 8.717 7.440 69.758 1.00 14.91 C +ATOM 1474 CG2 VAL H 12 7.203 5.791 68.618 1.00 16.48 C +ATOM 1475 N GLU H 13 4.339 7.315 68.048 1.00 12.68 N +ATOM 1476 CA GLU H 13 3.247 7.284 67.039 1.00 13.99 C +ATOM 1477 C GLU H 13 2.529 8.615 66.993 1.00 12.86 C +ATOM 1478 O GLU H 13 2.180 9.257 65.996 1.00 13.36 O +ATOM 1479 CB GLU H 13 2.308 6.113 67.379 1.00 17.82 C +ATOM 1480 CG GLU H 13 1.722 5.334 66.201 1.00 21.16 C +ATOM 1481 CD GLU H 13 2.488 5.438 64.895 1.00 20.27 C +ATOM 1482 OE1 GLU H 13 3.695 5.050 64.840 1.00 20.99 O +ATOM 1483 OE2 GLU H 13 1.815 5.925 63.945 1.00 18.85 O +ATOM 1484 N ALA H 14 2.277 9.221 68.196 1.00 11.27 N +ATOM 1485 CA ALA H 14 1.657 10.531 68.316 1.00 9.97 C +ATOM 1486 C ALA H 14 2.524 11.634 67.751 1.00 10.85 C +ATOM 1487 O ALA H 14 2.047 12.541 67.040 1.00 9.62 O +ATOM 1488 CB ALA H 14 1.408 10.901 69.801 1.00 10.2 C +ATOM 1489 N LEU H 15 3.825 11.633 68.144 1.00 10.64 N +ATOM 1490 CA LEU H 15 4.723 12.608 67.521 1.00 13.11 C +ATOM 1491 C LEU H 15 4.796 12.477 65.979 1.00 12.65 C +ATOM 1492 O LEU H 15 4.728 13.521 65.323 1.00 12.91 O +ATOM 1493 CB LEU H 15 6.160 12.422 68.013 1.00 14.39 C +ATOM 1494 CG LEU H 15 6.478 12.888 69.418 1.00 16.52 C +ATOM 1495 CD1 LEU H 15 7.920 12.452 69.732 1.00 17.82 C +ATOM 1496 CD2 LEU H 15 6.321 14.425 69.535 1.00 15.47 C +ATOM 1497 N TYR H 16 4.843 11.238 65.482 1.00 13.7 N +ATOM 1498 CA TYR H 16 4.772 11.087 64.022 1.00 13.41 C +ATOM 1499 C TYR H 16 3.573 11.787 63.427 1.00 13.39 C +ATOM 1500 O TYR H 16 3.706 12.540 62.424 1.00 14.4 O +ATOM 1501 CB TYR H 16 4.696 9.587 63.724 1.00 12.69 C +ATOM 1502 CG TYR H 16 4.630 9.356 62.226 1.00 11.25 C +ATOM 1503 CD1 TYR H 16 5.753 9.576 61.428 1.00 12.6 C +ATOM 1504 CD2 TYR H 16 3.452 8.892 61.642 1.00 12.34 C +ATOM 1505 CE1 TYR H 16 5.698 9.328 60.064 1.00 13.26 C +ATOM 1506 CE2 TYR H 16 3.397 8.643 60.276 1.00 12.77 C +ATOM 1507 CZ TYR H 16 4.514 8.858 59.489 1.00 13.04 C +ATOM 1508 OH TYR H 16 4.479 8.583 58.134 1.00 13.67 O +ATOM 1509 N LEU H 17 2.397 11.611 64.035 1.00 11.21 N +ATOM 1510 CA LEU H 17 1.155 12.254 63.535 1.00 13.58 C +ATOM 1511 C LEU H 17 1.156 13.772 63.644 1.00 12.48 C +ATOM 1512 O LEU H 17 0.875 14.507 62.688 1.00 11.57 O +ATOM 1513 CB LEU H 17 -0.053 11.696 64.289 1.00 14.97 C +ATOM 1514 CG LEU H 17 -1.414 12.378 64.029 1.00 17.74 C +ATOM 1515 CD1 LEU H 17 -1.903 12.024 62.623 1.00 19.1 C +ATOM 1516 CD2 LEU H 17 -2.441 12.031 65.094 1.00 17.73 C +ATOM 1517 N VAL H 18 1.584 14.298 64.817 1.00 12.08 N +ATOM 1518 CA VAL H 18 1.515 15.753 64.997 1.00 12.31 C +ATOM 1519 C VAL H 18 2.616 16.504 64.247 1.00 11.77 C +ATOM 1520 O VAL H 18 2.349 17.600 63.708 1.00 12.88 O +ATOM 1521 CB VAL H 18 1.527 16.170 66.482 1.00 10.95 C +ATOM 1522 CG1 VAL H 18 2.810 16.583 67.115 1.00 12.08 C +ATOM 1524 CG2 VAL H 18 0.558 17.405 66.525 1.00 12.69 C +ATOM 1526 N CYS H 19 3.809 15.954 64.152 1.00 13.47 N +ATOM 1527 CA CYS H 19 4.919 16.707 63.537 1.00 13.39 C +ATOM 1528 C CYS H 19 4.829 16.715 62.002 1.00 16.39 C +ATOM 1529 O CYS H 19 5.405 17.669 61.434 1.00 19.33 O +ATOM 1530 CB CYS H 19 6.270 16.185 64.004 1.00 13.14 C +ATOM 1531 SG CYS H 19 6.527 16.190 65.822 1.00 13.36 S +ATOM 1532 N GLY H 20 4.114 15.782 61.438 1.00 17.59 N +ATOM 1533 CA GLY H 20 3.913 15.709 59.986 1.00 22.12 C +ATOM 1534 C GLY H 20 5.251 15.894 59.269 1.00 24.29 C +ATOM 1535 O GLY H 20 6.269 15.293 59.643 1.00 23.07 O +ATOM 1536 N GLU H 21 5.222 16.705 58.189 1.00 24.33 N +ATOM 1537 CA GLU H 21 6.485 16.758 57.431 1.00 25.46 C +ATOM 1538 C GLU H 21 7.630 17.459 58.212 1.00 25.48 C +ATOM 1539 O GLU H 21 8.769 17.530 57.769 1.00 25.96 O +ATOM 1540 CB GLU H 21 6.210 17.498 56.120 1.00 26.28 C +ATOM 1541 CG GLU H 21 5.104 16.822 55.309 1.00 20.0 C +ATOM 1542 CD GLU H 21 4.859 17.597 54.035 1.00 20.0 C +ATOM 1543 OE1 GLU H 21 5.159 18.781 54.002 1.00 20.0 O +ATOM 1544 OE2 GLU H 21 4.361 17.001 53.078 1.00 20.0 O +ATOM 1545 N ARG H 22 7.410 17.968 59.431 1.00 23.72 N +ATOM 1546 CA ARG H 22 8.518 18.606 60.154 1.00 22.54 C +ATOM 1547 C ARG H 22 9.569 17.595 60.626 1.00 21.62 C +ATOM 1548 O ARG H 22 10.760 17.878 60.758 1.00 23.64 O +ATOM 1549 CB ARG H 22 8.013 19.370 61.380 1.00 24.45 C +ATOM 1550 CG ARG H 22 7.329 20.699 60.966 1.00 26.79 C +ATOM 1551 CD ARG H 22 6.672 21.301 62.227 1.00 27.75 C +ATOM 1552 NE ARG H 22 5.414 20.573 62.502 1.00 29.17 N +ATOM 1553 CZ ARG H 22 4.561 20.995 63.438 1.00 29.82 C +ATOM 1554 NH1 ARG H 22 4.867 22.100 64.137 1.00 31.37 N +ATOM 1555 NH2 ARG H 22 3.431 20.341 63.654 1.00 29.07 N +ATOM 1556 N GLY H 23 9.091 16.403 60.977 1.00 20.95 N +ATOM 1557 CA GLY H 23 9.987 15.353 61.471 1.00 18.4 C +ATOM 1558 C GLY H 23 10.224 15.730 62.947 1.00 17.56 C +ATOM 1559 O GLY H 23 9.730 16.740 63.463 1.00 18.28 O +ATOM 1560 N PHE H 24 11.028 14.889 63.576 1.00 15.09 N +ATOM 1561 CA PHE H 24 11.345 15.108 64.995 1.00 14.89 C +ATOM 1562 C PHE H 24 12.491 14.220 65.418 1.00 14.33 C +ATOM 1563 O PHE H 24 12.831 13.234 64.733 1.00 15.39 O +ATOM 1564 CB PHE H 24 10.076 14.698 65.798 1.00 14.38 C +ATOM 1565 CG PHE H 24 9.629 13.261 65.662 1.00 13.09 C +ATOM 1566 CD1 PHE H 24 8.780 12.887 64.619 1.00 14.33 C +ATOM 1567 CD2 PHE H 24 9.985 12.299 66.588 1.00 14.22 C +ATOM 1568 CE1 PHE H 24 8.374 11.554 64.475 1.00 14.16 C +ATOM 1569 CE2 PHE H 24 9.619 10.963 66.452 1.00 14.3 C +ATOM 1570 CZ PHE H 24 8.782 10.614 65.393 1.00 13.69 C +ATOM 1571 N PHE H 25 13.062 14.539 66.555 1.00 15.79 N +ATOM 1572 CA PHE H 25 13.991 13.687 67.243 1.00 18.16 C +ATOM 1573 C PHE H 25 13.186 13.069 68.410 1.00 17.03 C +ATOM 1574 O PHE H 25 12.398 13.746 69.089 1.00 18.93 O +ATOM 1575 CB PHE H 25 15.188 14.429 67.842 1.00 21.24 C +ATOM 1576 CG PHE H 25 16.139 14.850 66.745 1.00 23.58 C +ATOM 1577 CD1 PHE H 25 15.837 15.953 65.966 1.00 25.48 C +ATOM 1578 CD2 PHE H 25 17.301 14.135 66.505 1.00 25.68 C +ATOM 1579 CE1 PHE H 25 16.698 16.352 64.950 1.00 27.12 C +ATOM 1580 CE2 PHE H 25 18.177 14.524 65.488 1.00 25.94 C +ATOM 1581 CZ PHE H 25 17.866 15.629 64.713 1.00 26.45 C +ATOM 1582 N TYR H 26 13.435 11.804 68.652 1.00 15.43 N +ATOM 1583 CA TYR H 26 12.877 11.160 69.865 1.00 16.95 C +ATOM 1584 C TYR H 26 14.107 10.974 70.764 1.00 16.73 C +ATOM 1585 O TYR H 26 15.032 10.229 70.408 1.00 15.67 O +ATOM 1586 CB TYR H 26 12.210 9.823 69.580 1.00 16.75 C +ATOM 1587 CG TYR H 26 11.790 9.131 70.870 1.00 18.7 C +ATOM 1588 CD1 TYR H 26 10.793 9.718 71.636 1.00 20.33 C +ATOM 1589 CD2 TYR H 26 12.376 7.948 71.295 1.00 18.58 C +ATOM 1590 CE1 TYR H 26 10.380 9.116 72.830 1.00 21.69 C +ATOM 1591 CE2 TYR H 26 11.960 7.349 72.487 1.00 20.78 C +ATOM 1592 CZ TYR H 26 10.977 7.941 73.228 1.00 21.32 C +ATOM 1593 OH TYR H 26 10.525 7.386 74.430 1.00 25.36 O +ATOM 1594 N THR H 27 14.133 11.668 71.908 1.00 18.24 N +ATOM 1595 CA THR H 27 15.327 11.504 72.751 1.00 23.22 C +ATOM 1596 C THR H 27 14.862 11.328 74.204 1.00 23.93 C +ATOM 1597 O THR H 27 14.406 12.271 74.870 1.00 23.47 O +ATOM 1598 CB THR H 27 16.313 12.674 72.601 1.00 25.92 C +ATOM 1599 OG1 THR H 27 15.932 13.635 73.586 1.00 30.06 O +ATOM 1600 CG2 THR H 27 16.248 13.294 71.216 1.00 24.38 C +ATOM 1601 N PRO H 28 14.751 10.074 74.564 1.00 24.04 N +ATOM 1602 CA PRO H 28 14.181 9.599 75.823 1.00 25.64 C +ATOM 1603 C PRO H 28 15.029 10.032 77.012 1.00 27.79 C +ATOM 1604 O PRO H 28 14.531 10.333 78.087 1.00 29.46 O +ATOM 1605 CB PRO H 28 14.111 8.080 75.772 1.00 25.47 C +ATOM 1606 CG PRO H 28 15.102 7.617 74.721 1.00 24.15 C +ATOM 1607 CD PRO H 28 15.221 8.922 73.797 1.00 24.44 C +ATOM 1608 N LYS H 29 16.355 10.004 76.792 1.00 28.5 N +ATOM 1609 CA LYS H 29 17.203 10.351 77.937 1.00 31.21 C +ATOM 1610 C LYS H 29 18.556 10.913 77.478 1.00 20.0 C +ATOM 1611 O LYS H 29 18.630 11.844 76.684 1.00 20.0 O +ATOM 1612 CB LYS H 29 17.421 9.085 78.799 1.00 20.0 C +ATOM 1613 CG LYS H 29 16.160 8.687 79.610 1.00 20.0 C +ATOM 1614 CD LYS H 29 16.466 8.355 81.104 1.00 20.0 C +ATOM 1615 CE LYS H 29 15.560 7.228 81.668 1.00 20.0 C +ATOM 1616 NZ LYS H 29 15.320 7.431 83.120 1.00 20.0 N +ATOM 1617 OXT LYS H 29 19.616 10.453 77.887 1.00 20.0 O +HETATM 1619 C1 IPH A 22 -5.661 9.282 16.887 1.00 13.71 C +HETATM 1620 C2 IPH A 22 -5.340 10.027 18.047 1.00 12.98 C +HETATM 1621 C3 IPH A 22 -4.825 9.245 19.106 1.00 12.69 C +HETATM 1622 C4 IPH A 22 -4.703 7.852 19.077 1.00 12.64 C +HETATM 1623 C5 IPH A 22 -5.039 7.153 17.900 1.00 14.17 C +HETATM 1624 C6 IPH A 22 -5.504 7.916 16.820 1.00 11.82 C +HETATM 1625 O1 IPH A 22 -6.150 9.977 15.791 1.00 13.37 O +HETATM 1626 ZN ZN B 30 0.000 0.000 18.779 1.00 10.69 ZN +HETATM 1627 CL CL B 31 0.000 0.000 16.611 1.00 12.22 CL +HETATM 1628 C1 MYR B 39 7.835 13.475 11.645 1.00 20.0 C +HETATM 1629 O1 MYR B 39 7.059 13.815 10.549 1.00 20.0 O +HETATM 1630 C2 MYR B 39 8.763 12.328 11.272 1.00 20.0 C +HETATM 1631 C3 MYR B 39 9.816 12.732 10.244 1.00 20.0 C +HETATM 1632 C4 MYR B 39 10.068 11.641 9.204 1.00 20.0 C +HETATM 1633 C5 MYR B 39 8.775 11.006 8.691 1.00 20.0 C +HETATM 1634 C6 MYR B 39 8.840 9.477 8.666 1.00 26.54 C +HETATM 1635 C7 MYR B 39 7.488 8.825 8.967 1.00 25.87 C +HETATM 1636 C8 MYR B 39 7.527 7.300 8.833 1.00 24.38 C +HETATM 1637 C9 MYR B 39 6.585 6.601 9.817 1.00 24.56 C +HETATM 1638 C10 MYR B 39 6.189 5.194 9.357 1.00 25.47 C +HETATM 1639 C11 MYR B 39 5.319 4.464 10.383 1.00 25.4 C +HETATM 1640 C12 MYR B 39 5.075 2.999 10.013 1.00 27.21 C +HETATM 1641 C13 MYR B 39 4.863 2.110 11.240 1.00 28.92 C +HETATM 1642 C14 MYR B 39 4.233 0.761 10.889 1.00 29.92 C +HETATM 1643 C1 IPH C 22 9.806 -4.594 35.946 1.00 18.13 C +HETATM 1644 C2 IPH C 22 8.415 -4.615 36.083 1.00 17.97 C +HETATM 1645 C3 IPH C 22 7.660 -4.258 34.946 1.00 18.26 C +HETATM 1646 C4 IPH C 22 8.302 -3.913 33.760 1.00 15.67 C +HETATM 1647 C5 IPH C 22 9.697 -3.908 33.639 1.00 17.84 C +HETATM 1648 C6 IPH C 22 10.461 -4.260 34.744 1.00 17.14 C +HETATM 1649 O1 IPH C 22 10.589 -4.957 37.017 1.00 17.59 O +HETATM 1650 ZN ZN D 30 0.000 0.000 34.196 1.00 12.34 ZN +HETATM 1651 CL CL D 31 0.000 0.000 36.366 1.00 11.37 CL +HETATM 1652 C1 MYR D 39 13.145 5.879 44.308 1.00 43.86 C +HETATM 1653 O1 MYR D 39 13.563 4.639 44.813 1.00 44.46 O +HETATM 1654 C2 MYR D 39 11.807 6.277 44.919 1.00 42.97 C +HETATM 1655 C3 MYR D 39 11.856 7.649 45.570 1.00 41.93 C +HETATM 1656 C4 MYR D 39 10.510 8.065 46.183 1.00 41.64 C +HETATM 1657 C5 MYR D 39 10.352 7.618 47.642 1.00 40.56 C +HETATM 1658 C6 MYR D 39 9.441 6.395 47.793 1.00 39.22 C +HETATM 1659 C7 MYR D 39 8.163 6.696 48.582 1.00 38.2 C +HETATM 1660 C8 MYR D 39 7.835 5.615 49.616 1.00 35.56 C +HETATM 1661 C9 MYR D 39 6.365 5.192 49.591 1.00 34.33 C +HETATM 1662 C10 MYR D 39 6.185 3.685 49.402 1.00 33.37 C +HETATM 1663 C11 MYR D 39 5.094 3.100 50.302 1.00 32.92 C +HETATM 1664 C12 MYR D 39 5.086 1.570 50.302 1.00 33.01 C +HETATM 1665 C13 MYR D 39 3.710 0.988 50.628 1.00 33.72 C +HETATM 1666 C14 MYR D 39 3.739 -0.532 50.800 1.00 32.9 C +HETATM 1667 C1 IPH E 22 -4.433 9.971 56.719 1.00 15.57 C +HETATM 1668 C2 IPH E 22 -4.096 10.577 57.930 1.00 16.66 C +HETATM 1669 C3 IPH E 22 -3.735 9.760 59.006 1.00 16.58 C +HETATM 1670 C4 IPH E 22 -3.707 8.376 58.841 1.00 16.66 C +HETATM 1671 C5 IPH E 22 -4.048 7.776 57.634 1.00 17.67 C +HETATM 1672 C6 IPH E 22 -4.420 8.583 56.533 1.00 15.96 C +HETATM 1673 O1 IPH E 22 -4.796 10.823 55.680 1.00 17.95 O +HETATM 1674 ZN ZN F 30 0.000 0.000 58.639 1.00 11.99 ZN +HETATM 1675 CL CL F 31 0.000 0.000 56.498 1.00 13.93 CL +HETATM 1676 C1 MYR F 39 12.146 13.183 45.515 1.00 20.0 C +HETATM 1677 O1 MYR F 39 13.067 14.003 44.850 1.00 20.0 O +HETATM 1678 C2 MYR F 39 11.354 12.334 44.533 1.00 20.0 C +HETATM 1679 C3 MYR F 39 9.902 12.147 44.984 1.00 20.0 C +HETATM 1680 C4 MYR F 39 9.503 10.676 45.088 1.00 20.0 C +HETATM 1681 C5 MYR F 39 7.993 10.470 44.984 1.00 20.0 C +HETATM 1682 C6 MYR F 39 7.589 9.008 45.155 1.00 20.0 C +HETATM 1683 C7 MYR F 39 6.983 8.414 43.886 1.00 20.0 C +HETATM 1684 C8 MYR F 39 5.873 7.749 43.929 1.00 17.91 C +HETATM 1685 C9 MYR F 39 5.289 6.521 43.217 1.00 17.97 C +HETATM 1686 C10 MYR F 39 3.956 6.079 43.723 1.00 18.17 C +HETATM 1687 C11 MYR F 39 3.151 5.367 42.625 1.00 18.49 C +HETATM 1688 C12 MYR F 39 1.890 4.664 43.146 1.00 19.42 C +HETATM 1689 C13 MYR F 39 1.336 3.656 42.117 1.00 19.8 C +HETATM 1690 C14 MYR F 39 0.258 3.309 41.793 1.00 20.0 C +HETATM 1691 C1 IPH G 22 8.823 -6.017 75.855 1.00 15.74 C +HETATM 1692 C2 IPH G 22 7.438 -5.881 75.955 1.00 13.11 C +HETATM 1693 C3 IPH G 22 6.720 -5.429 74.838 1.00 14.78 C +HETATM 1694 C4 IPH G 22 7.441 -5.099 73.683 1.00 12.62 C +HETATM 1695 C5 IPH G 22 8.827 -5.216 73.597 1.00 13.69 C +HETATM 1696 C6 IPH G 22 9.551 -5.703 74.692 1.00 14.2 C +HETATM 1697 O1 IPH G 22 9.561 -6.496 76.933 1.00 14.64 O +HETATM 1698 ZN ZN H 30 0.000 0.000 74.024 1.00 14.68 ZN +HETATM 1699 CL CL H 31 0.000 0.000 76.191 1.00 15.86 CL +HETATM 1700 C1 MYR H 39 14.782 6.834 84.170 1.00 43.17 C +HETATM 1701 O1 MYR H 39 15.182 5.795 85.026 1.00 44.8 O +HETATM 1702 C2 MYR H 39 13.260 6.897 84.081 1.00 42.04 C +HETATM 1703 C3 MYR H 39 12.723 8.330 84.153 1.00 40.76 C +HETATM 1704 C4 MYR H 39 11.363 8.483 83.467 1.00 38.49 C +HETATM 1705 C5 MYR H 39 10.187 8.514 84.457 1.00 37.01 C +HETATM 1706 C6 MYR H 39 8.822 8.451 83.754 1.00 33.31 C +HETATM 1707 C7 MYR H 39 8.324 7.024 83.560 1.00 31.73 C +HETATM 1708 C8 MYR H 39 6.845 6.876 83.885 1.00 29.81 C +HETATM 1709 C9 MYR H 39 6.168 5.811 83.039 1.00 28.44 C +HETATM 1710 C10 MYR H 39 4.745 5.525 83.486 1.00 25.96 C +HETATM 1711 C11 MYR H 39 3.938 4.750 82.452 1.00 25.92 C +HETATM 1712 C12 MYR H 39 2.456 4.709 82.802 1.00 27.26 C +HETATM 1713 C13 MYR H 39 1.568 4.457 81.592 1.00 28.41 C +HETATM 1714 C14 MYR H 39 0.607 3.288 81.804 1.00 28.64 C +HETATM 1715 O HOH A 23 17.639 -5.979 20.330 1.00 27.85 O +HETATM 1716 O HOH A 35 12.189 11.971 14.602 1.00 22.09 O +HETATM 1717 O HOH A 66 24.511 14.447 27.551 1.00 28.64 O +HETATM 1718 O HOH A 71 9.682 -8.066 16.389 1.00 35.81 O +HETATM 1719 O HOH A 85 17.006 -5.067 14.553 1.00 47.74 O +HETATM 1720 O HOH A 94 18.688 5.842 15.133 1.00 36.73 O +HETATM 1721 O HOH A 95 20.120 4.830 16.866 1.00 30.08 O +HETATM 1722 O HOH A 107 15.926 2.949 8.889 1.00 39.66 O +HETATM 1723 O HOH A 121 12.898 -8.753 13.335 1.00 42.31 O +HETATM 1724 O HOH A 122 20.315 -1.270 25.199 1.00 30.83 O +HETATM 1725 O HOH A 123 20.595 -4.823 20.817 1.00 30.11 O +HETATM 1726 O HOH A 134 27.106 1.493 16.499 1.00 45.75 O +HETATM 1727 O HOH A 135 13.358 3.385 4.357 1.00 33.02 O +HETATM 1728 O HOH A 136 19.234 14.410 31.839 1.00 43.23 O +HETATM 1729 O HOH A 155 17.305 1.206 12.064 1.00 45.81 O +HETATM 1730 O HOH B 40 13.817 11.255 20.074 1.00 18.8 O +HETATM 1731 O HOH B 41 -3.096 8.975 8.225 1.00 20.19 O +HETATM 1732 O HOH B 42 13.674 5.936 30.978 1.00 21.22 O +HETATM 1733 O HOH B 43 -1.953 5.673 8.612 1.00 21.67 O +HETATM 1734 O HOH B 44 12.652 2.989 33.270 1.00 23.43 O +HETATM 1735 O HOH B 45 6.399 12.089 14.263 1.00 26.22 O +HETATM 1736 O HOH B 46 4.329 13.066 17.618 1.00 37.93 O +HETATM 1737 O HOH B 47 10.130 6.195 36.215 1.00 38.78 O +HETATM 1738 O HOH B 48 -3.095 12.799 9.986 1.00 20.63 O +HETATM 1739 O HOH B 49 18.567 3.010 34.912 1.00 52.86 O +HETATM 1740 O HOH B 50 19.305 1.729 31.608 1.00 43.56 O +HETATM 1741 O HOH B 51 16.059 18.154 12.128 1.00 43.59 O +HETATM 1742 O HOH B 52 19.805 0.196 27.813 1.00 28.01 O +HETATM 1743 O HOH B 53 1.182 7.935 4.942 1.00 21.97 O +HETATM 1744 O HOH B 54 8.238 -1.821 27.767 1.00 27.44 O +HETATM 1745 O HOH B 55 18.669 -2.152 31.935 1.00 28.74 O +HETATM 1746 O HOH B 56 5.291 11.043 16.886 1.00 36.18 O +HETATM 1747 O HOH B 57 0.000 0.000 27.734 1.00 45.83 O +HETATM 1748 O HOH B 58 12.243 3.259 36.188 1.00 29.19 O +HETATM 1749 O HOH B 59 2.621 12.615 13.560 1.00 41.08 O +HETATM 1750 O HOH B 60 5.669 -2.066 21.698 1.00 34.56 O +HETATM 1751 O HOH B 61 8.268 -2.788 21.623 1.00 25.38 O +HETATM 1752 O HOH B 62 8.234 -1.558 25.238 1.00 20.53 O +HETATM 1753 O HOH B 63 16.957 -0.190 31.643 1.00 43.93 O +HETATM 1754 O HOH B 64 10.867 16.383 10.315 1.00 46.63 O +HETATM 1755 O HOH C 42 10.432 18.286 28.169 1.00 17.65 O +HETATM 1756 O HOH C 45 -2.936 20.044 27.109 1.00 30.19 O +HETATM 1757 O HOH C 97 -9.139 13.407 39.479 1.00 54.97 O +HETATM 1758 O HOH C 99 -0.383 7.859 44.469 1.00 33.68 O +HETATM 1759 O HOH C 103 5.864 17.459 43.382 1.00 40.75 O +HETATM 1760 O HOH C 113 11.821 17.768 32.039 1.00 50.11 O +HETATM 1761 O HOH C 120 -8.231 12.684 41.842 1.00 46.42 O +HETATM 1762 O HOH C 129 10.134 15.893 35.406 1.00 25.99 O +HETATM 1763 O HOH C 139 9.874 13.968 40.763 1.00 38.56 O +HETATM 1764 O HOH C 140 10.512 13.248 38.376 1.00 33.22 O +HETATM 1765 O HOH C 141 11.335 18.568 35.208 1.00 45.62 O +HETATM 1766 O HOH C 142 -8.144 20.983 34.417 1.00 32.13 O +HETATM 1767 O HOH C 143 -8.294 22.804 38.257 1.00 26.68 O +HETATM 1768 O HOH C 144 8.042 25.183 33.078 1.00 51.58 O +HETATM 1769 O HOH C 156 -6.525 13.893 34.019 1.00 38.12 O +HETATM 1770 O HOH C 162 -8.953 18.762 29.526 1.00 20.0 O +HETATM 1771 O HOH D 40 -1.686 4.748 29.405 1.00 28.76 O +HETATM 1772 O HOH D 41 5.284 14.028 22.044 1.00 22.23 O +HETATM 1773 O HOH D 42 10.083 14.728 32.811 1.00 22.32 O +HETATM 1774 O HOH D 43 -2.693 0.304 29.926 1.00 44.42 O +HETATM 1775 O HOH D 44 10.057 17.105 31.116 1.00 31.23 O +HETATM 1776 O HOH D 45 -1.036 7.450 30.006 1.00 23.79 O +HETATM 1777 O HOH D 46 -3.586 7.989 31.336 1.00 25.58 O +HETATM 1778 O HOH D 47 -4.811 6.292 28.969 1.00 26.7 O +HETATM 1779 O HOH D 48 -2.988 14.537 18.855 1.00 32.73 O +HETATM 1780 O HOH D 49 1.841 12.670 19.570 1.00 26.41 O +HETATM 1781 O HOH D 50 -3.161 6.775 22.712 1.00 21.48 O +HETATM 1782 O HOH D 51 -5.990 2.431 27.832 1.00 29.06 O +HETATM 1783 O HOH D 52 9.355 -1.870 44.707 1.00 34.24 O +HETATM 1784 O HOH D 53 0.000 0.000 40.126 1.00 35.31 O +HETATM 1785 O HOH D 54 19.681 9.968 44.239 1.00 58.61 O +HETATM 1786 O HOH D 55 11.308 7.398 38.834 1.00 35.23 O +HETATM 1787 O HOH D 56 13.515 2.284 44.513 1.00 38.05 O +HETATM 1788 O HOH E 23 19.132 10.418 56.864 1.00 17.46 O +HETATM 1789 O HOH E 24 20.698 11.691 65.654 1.00 33.57 O +HETATM 1790 O HOH E 25 16.107 9.917 56.983 1.00 22.27 O +HETATM 1791 O HOH E 26 20.594 14.664 62.646 1.00 25.85 O +HETATM 1792 O HOH E 27 25.745 8.208 65.896 1.00 33.48 O +HETATM 1793 O HOH E 28 22.897 12.649 68.336 1.00 51.19 O +HETATM 1794 O HOH E 29 23.692 7.169 61.822 1.00 20.5 O +HETATM 1795 O HOH E 30 17.189 -7.515 60.414 1.00 37.14 O +HETATM 1796 O HOH E 31 11.492 -7.499 60.019 1.00 21.7 O +HETATM 1797 O HOH E 32 26.132 11.623 67.014 1.00 34.53 O +HETATM 1798 O HOH E 33 24.250 6.718 69.948 1.00 52.59 O +HETATM 1799 O HOH E 34 20.356 3.562 55.796 1.00 23.85 O +HETATM 1800 O HOH E 35 19.467 7.547 53.704 1.00 28.59 O +HETATM 1801 O HOH E 36 21.553 -7.833 58.386 1.00 46.22 O +HETATM 1802 O HOH E 37 19.763 -12.519 58.119 1.00 54.54 O +HETATM 1803 O HOH F 40 14.151 4.653 70.826 1.00 18.08 O +HETATM 1804 O HOH F 41 13.145 10.403 54.524 1.00 25.4 O +HETATM 1805 O HOH F 42 2.861 0.728 67.019 1.00 48.98 O +HETATM 1806 O HOH F 43 -2.502 1.961 46.432 1.00 32.62 O +HETATM 1807 O HOH F 44 15.065 9.890 59.413 1.00 24.65 O +HETATM 1808 O HOH F 45 14.475 14.653 62.261 1.00 29.44 O +HETATM 1809 O HOH F 46 4.028 12.483 56.282 1.00 46.82 O +HETATM 1810 O HOH F 47 -3.560 6.840 48.104 1.00 21.9 O +HETATM 1811 O HOH F 48 -1.196 13.751 50.287 1.00 29.54 O +HETATM 1812 O HOH F 49 -1.841 9.363 48.206 1.00 38.54 O +HETATM 1813 O HOH F 50 12.959 4.274 74.138 1.00 37.43 O +HETATM 1814 O HOH F 51 0.000 0.000 46.285 1.00 53.07 O +HETATM 1815 O HOH F 52 21.801 7.521 75.363 1.00 49.65 O +HETATM 1816 O HOH F 53 2.637 14.420 48.280 1.00 54.66 O +HETATM 1817 O HOH F 54 6.406 10.168 56.701 1.00 29.05 O +HETATM 1818 O HOH F 55 -0.710 8.784 61.555 1.00 27.16 O +HETATM 1819 O HOH G 23 5.232 20.030 75.975 1.00 25.28 O +HETATM 1820 O HOH G 24 12.404 17.076 67.415 1.00 18.33 O +HETATM 1821 O HOH G 25 -0.735 24.413 67.048 1.00 20.13 O +HETATM 1822 O HOH G 26 -1.111 9.355 84.491 1.00 25.41 O +HETATM 1823 O HOH G 27 2.966 26.808 70.264 1.00 17.86 O +HETATM 1824 O HOH G 28 2.379 18.077 81.040 1.00 43.09 O +HETATM 1825 O HOH G 29 1.812 23.628 70.227 1.00 18.9 O +HETATM 1826 O HOH G 30 5.561 24.665 67.900 1.00 33.89 O +HETATM 1827 O HOH G 31 8.351 17.328 82.779 1.00 41.46 O +HETATM 1828 O HOH G 32 2.839 21.714 79.316 1.00 21.68 O +HETATM 1829 O HOH G 33 11.001 17.755 78.517 1.00 35.39 O +HETATM 1830 O HOH G 34 -2.979 12.792 82.732 1.00 20.82 O +HETATM 1831 O HOH G 35 -7.878 20.291 69.515 1.00 34.85 O +HETATM 1832 O HOH G 36 -5.060 16.548 71.845 1.00 32.47 O +HETATM 1833 O HOH G 37 0.040 25.332 63.649 1.00 28.63 O +HETATM 1834 O HOH G 38 -3.103 18.501 78.913 1.00 26.71 O +HETATM 1835 O HOH G 39 10.907 21.128 75.028 1.00 51.1 O +HETATM 1836 O HOH G 40 -2.114 20.021 67.019 1.00 46.41 O +HETATM 1837 O HOH G 41 18.870 19.477 65.362 1.00 35.16 O +HETATM 1838 O HOH G 42 3.812 16.037 82.933 1.00 29.33 O +HETATM 1839 O HOH G 43 -4.562 16.374 77.652 1.00 47.7 O +HETATM 1840 O HOH G 44 16.936 20.763 63.546 1.00 52.07 O +HETATM 1841 O HOH G 45 13.649 22.338 60.957 1.00 48.6 O +HETATM 1842 O HOH G 46 4.124 24.125 70.145 1.00 27.79 O +HETATM 1843 O HOH G 47 -0.293 20.691 64.468 1.00 46.71 O +HETATM 1844 O HOH G 48 7.852 22.812 67.795 1.00 27.0 O +HETATM 1845 O HOH G 49 -7.680 14.146 76.249 1.00 46.02 O +HETATM 1846 O HOH G 50 -2.322 12.723 72.963 1.00 29.04 O +HETATM 1847 O HOH G 51 12.047 12.384 80.882 1.00 32.05 O +HETATM 1848 O HOH G 52 10.681 17.408 81.356 1.00 36.4 O +HETATM 1849 O HOH H 40 12.513 14.380 75.003 1.00 15.41 O +HETATM 1850 O HOH H 41 2.296 2.300 86.064 1.00 23.77 O +HETATM 1851 O HOH H 42 -0.624 4.930 69.263 1.00 35.52 O +HETATM 1852 O HOH H 43 5.572 -2.033 84.040 1.00 19.69 O +HETATM 1853 O HOH H 44 12.092 13.601 72.362 1.00 18.07 O +HETATM 1854 O HOH H 45 6.733 13.573 61.646 1.00 26.79 O +HETATM 1855 O HOH H 46 11.830 15.774 70.498 1.00 25.12 O +HETATM 1856 O HOH H 47 0.000 0.000 85.908 1.00 20.53 O +HETATM 1857 O HOH H 48 -2.520 -2.578 85.921 1.00 28.92 O +HETATM 1858 O HOH H 49 -2.502 6.940 62.502 1.00 24.51 O +HETATM 1859 O HOH H 50 7.876 0.726 87.563 1.00 23.35 O +HETATM 1860 O HOH H 51 -2.823 0.598 69.809 1.00 34.61 O +HETATM 1861 O HOH H 52 -1.498 14.931 58.510 1.00 32.63 O +HETATM 1862 O HOH H 53 -0.994 4.811 63.107 1.00 28.58 O +HETATM 1863 O HOH H 54 12.345 11.814 78.287 1.00 22.63 O +HETATM 1864 O HOH H 55 13.148 -0.805 85.342 1.00 27.29 O +HETATM 1865 O HOH H 56 13.139 1.131 81.981 1.00 34.74 O +HETATM 1866 O HOH H 57 -1.806 8.178 64.849 1.00 23.89 O +HETATM 1867 O HOH H 58 14.002 16.627 75.060 1.00 35.26 O +HETATM 1868 O HOH H 59 11.353 5.616 75.248 1.00 33.51 O +CONECT 1619 1620 1624 1625 +CONECT 1620 1619 1621 +CONECT 1621 1620 1622 +CONECT 1622 1621 1623 +CONECT 1623 1622 1624 +CONECT 1624 1619 1623 +CONECT 1625 1619 +CONECT 1626 243 1627 +CONECT 1627 1626 +CONECT 1628 405 1629 1630 +CONECT 1629 1628 +CONECT 1630 1628 1631 +CONECT 1631 1630 1632 +CONECT 1632 1631 1633 +CONECT 1633 1632 1634 +CONECT 1634 1633 1635 +CONECT 1635 1634 1636 +CONECT 1636 1635 1637 +CONECT 1637 1636 1638 +CONECT 1638 1637 1639 +CONECT 1639 1638 1640 +CONECT 1640 1639 1641 +CONECT 1641 1640 1642 +CONECT 1642 1641 +CONECT 1643 1644 1648 1649 +CONECT 1644 1643 1645 +CONECT 1645 1644 1646 +CONECT 1646 1645 1647 +CONECT 1647 1646 1648 +CONECT 1648 1643 1647 +CONECT 1649 1643 +CONECT 1650 650 1651 +CONECT 1651 1650 +CONECT 1652 808 1653 1654 +CONECT 1653 1652 +CONECT 1654 1652 1655 +CONECT 1655 1654 1656 +CONECT 1656 1655 1657 +CONECT 1657 1656 1658 +CONECT 1658 1657 1659 +CONECT 1659 1658 1660 +CONECT 1660 1659 1661 +CONECT 1661 1660 1662 +CONECT 1662 1661 1663 +CONECT 1663 1662 1664 +CONECT 1664 1663 1665 +CONECT 1665 1664 1666 +CONECT 1666 1665 +CONECT 1667 1668 1672 1673 +CONECT 1668 1667 1669 +CONECT 1669 1668 1670 +CONECT 1670 1669 1671 +CONECT 1671 1670 1672 +CONECT 1672 1667 1671 +CONECT 1673 1667 +CONECT 1674 1053 1675 +CONECT 1675 1674 +CONECT 1676 1211 1677 1678 +CONECT 1677 1676 +CONECT 1678 1676 1679 +CONECT 1679 1678 1680 +CONECT 1680 1679 1681 +CONECT 1681 1680 1682 +CONECT 1682 1681 1683 +CONECT 1683 1682 1684 +CONECT 1684 1683 1685 +CONECT 1685 1684 1686 +CONECT 1686 1685 1687 +CONECT 1687 1686 1688 +CONECT 1688 1687 1689 +CONECT 1689 597 1688 1690 +CONECT 1690 1689 +CONECT 1691 1692 1696 1697 +CONECT 1692 1691 1693 +CONECT 1693 1692 1694 +CONECT 1694 1693 1695 +CONECT 1695 1694 1696 +CONECT 1696 1691 1695 +CONECT 1697 1691 +CONECT 1698 1459 1699 +CONECT 1699 1698 +CONECT 1700 1616 1701 1702 +CONECT 1701 1700 +CONECT 1702 1700 1703 +CONECT 1703 1702 1704 +CONECT 1704 1703 1705 +CONECT 1705 1704 1706 +CONECT 1706 1705 1707 +CONECT 1707 1706 1708 +CONECT 1708 1707 1709 +CONECT 1709 1708 1710 +CONECT 1710 1709 1711 +CONECT 1711 1710 1712 +CONECT 1712 1711 1713 +CONECT 1713 1712 1714 +CONECT 1714 1713 \ No newline at end of file