HEADER HYDROLASE 05-AUG-09 3IJV TITLE CHICKEN EGG WHITE LYSOZYME BY CLASSICAL HANGING DROP VAPOUR DIFFUSION TITLE 2 METHOD COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME C; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C, ALLERGEN GAL D IV; COMPND 5 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 STRAIN: WHITE LEGHORN; SOURCE 6 OTHER_DETAILS: EGG KEYWDS LYSOZYME, HEN EGG WHITE LYSOZYME, ALLERGEN, ANTIMICROBIAL, KEYWDS 2 BACTERIOLYTIC ENZYME, DISULFIDE BOND, GLYCOSIDASE, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI REVDAT 1 11-AUG-10 3IJV 0 JRNL AUTH E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI JRNL TITL COMPARISON OF LYSOZYME CRYSTALS GROWN BY APA AND CLASSICAL JRNL TITL 2 HANGING DROP METHOD JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 26.26 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 91.8 REMARK 3 NUMBER OF REFLECTIONS : 11267 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.226 REMARK 3 R VALUE (WORKING SET) : 0.224 REMARK 3 FREE R VALUE : 0.264 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 REMARK 3 FREE R VALUE TEST SET COUNT : 534 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.74 REMARK 3 REFLECTION IN BIN (WORKING SET) : 716 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 84.47 REMARK 3 BIN R VALUE (WORKING SET) : 0.2310 REMARK 3 BIN FREE R VALUE SET COUNT : 29 REMARK 3 BIN FREE R VALUE : 0.2930 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 81 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 13.08 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.02000 REMARK 3 B22 (A**2) : 0.02000 REMARK 3 B33 (A**2) : -0.03000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.164 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.149 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.079 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.293 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.915 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.889 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1025 ; 0.016 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1389 ; 1.660 ; 1.903 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 128 ; 6.183 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 50 ;35.656 ;23.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 166 ;15.093 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;20.761 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 144 ; 0.098 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 794 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 743 ; 0.253 ; 0.300 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 763 ; 0.336 ; 0.500 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 180 ; 0.243 ; 0.500 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 51 ; 0.309 ; 0.300 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 26 ; 0.240 ; 0.500 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 641 ; 1.239 ; 2.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1008 ; 1.971 ; 3.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 445 ; 1.523 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 381 ; 2.293 ; 3.000 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3IJV COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-AUG-09. REMARK 100 THE RCSB ID CODE IS RCSB054502. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 31-AUG-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID13 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9787 REMARK 200 MONOCHROMATOR : SI-111 REMARK 200 OPTICS : MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MAR CCD 165 MM REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11287 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 54.074 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.2 REMARK 200 DATA REDUNDANCY : 5.700 REMARK 200 R MERGE (I) : 0.06000 REMARK 200 R SYM (I) : 0.06000 REMARK 200 FOR THE DATA SET : 24.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.79 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.4 REMARK 200 DATA REDUNDANCY IN SHELL : 5.70 REMARK 200 R MERGE FOR SHELL (I) : 0.07500 REMARK 200 R SYM FOR SHELL (I) : 0.07500 REMARK 200 FOR SHELL : 7.800 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: REFMAC5 REMARK 200 STARTING MODEL: PDB ENTRY 2YVB REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 33.24 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.84 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.04N NAOAC/HOAC BUFFER, PH 4.7, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 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 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.06150 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 38.23550 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 38.23550 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.09225 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 38.23550 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 38.23550 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.03075 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 38.23550 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 38.23550 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.09225 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 38.23550 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 38.23550 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.03075 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.06150 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A 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 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 OD1 ASN A 46 ND2 ASN A 59 1.99 REMARK 500 OD1 ASP A 52 ND2 ASN A 59 2.01 REMARK 500 O SER A 60 O HOH A 190 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 O HOH A 187 O HOH A 206 8664 2.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3IJU RELATED DB: PDB REMARK 900 LYSOZYME CRYSTALS GROWN ON APA SURFACE DBREF 3IJV A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU FORMUL 2 HOH *81(H2 O) HELIX 1 1 GLY A 4 HIS A 15 1 12 HELIX 2 2 ASN A 19 TYR A 23 5 5 HELIX 3 3 SER A 24 ASN A 37 1 14 HELIX 4 4 PRO A 79 SER A 85 5 7 HELIX 5 5 ILE A 88 SER A 100 1 13 HELIX 6 6 ASN A 103 ALA A 107 5 5 HELIX 7 7 TRP A 108 CYS A 115 1 8 HELIX 8 8 ASP A 119 ARG A 125 5 7 SHEET 1 A 3 THR A 43 ARG A 45 0 SHEET 2 A 3 THR A 51 TYR A 53 -1 O ASP A 52 N ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.00 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.03 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.01 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.04 CRYST1 76.471 76.471 36.123 90.00 90.00 90.00 P 43 21 2 8 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 0.013077 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013077 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027684 0.00000 ATOM 1 N LYS A 1 -3.135 66.560 -8.445 1.00 10.96 N ATOM 2 CA LYS A 1 -2.197 66.131 -9.505 1.00 11.52 C ATOM 3 C LYS A 1 -2.252 64.622 -9.683 1.00 12.73 C ATOM 4 O LYS A 1 -2.265 63.871 -8.701 1.00 12.82 O ATOM 5 CB LYS A 1 -0.785 66.552 -9.114 1.00 11.83 C ATOM 6 CG LYS A 1 0.267 65.996 -10.004 1.00 12.28 C ATOM 7 CD LYS A 1 1.600 66.574 -9.700 1.00 12.85 C ATOM 8 CE LYS A 1 2.669 65.767 -10.417 1.00 13.84 C ATOM 9 NZ LYS A 1 3.911 66.545 -10.441 1.00 17.11 N ATOM 10 N VAL A 2 -2.278 64.178 -10.935 1.00 11.84 N ATOM 11 CA VAL A 2 -2.191 62.765 -11.216 1.00 11.81 C ATOM 12 C VAL A 2 -0.787 62.562 -11.691 1.00 10.99 C ATOM 13 O VAL A 2 -0.381 63.054 -12.769 1.00 11.32 O ATOM 14 CB VAL A 2 -3.195 62.299 -12.286 1.00 12.72 C ATOM 15 CG1 VAL A 2 -2.926 60.850 -12.644 1.00 13.54 C ATOM 16 CG2 VAL A 2 -4.614 62.441 -11.759 1.00 13.67 C ATOM 17 N PHE A 3 -0.013 61.886 -10.866 1.00 9.35 N ATOM 18 CA PHE A 3 1.330 61.527 -11.245 1.00 10.25 C ATOM 19 C PHE A 3 1.340 60.443 -12.268 1.00 9.84 C ATOM 20 O PHE A 3 0.477 59.577 -12.295 1.00 10.53 O ATOM 21 CB PHE A 3 2.087 60.984 -10.046 1.00 9.60 C ATOM 22 CG PHE A 3 2.661 62.038 -9.184 1.00 9.63 C ATOM 23 CD1 PHE A 3 1.871 62.686 -8.238 1.00 8.74 C ATOM 24 CD2 PHE A 3 3.989 62.394 -9.299 1.00 9.86 C ATOM 25 CE1 PHE A 3 2.418 63.661 -7.438 1.00 8.88 C ATOM 26 CE2 PHE A 3 4.538 63.375 -8.488 1.00 9.28 C ATOM 27 CZ PHE A 3 3.744 64.013 -7.545 1.00 9.93 C ATOM 28 N GLY A 4 2.395 60.460 -13.072 1.00 10.92 N ATOM 29 CA GLY A 4 2.732 59.336 -13.880 1.00 11.05 C ATOM 30 C GLY A 4 3.502 58.425 -12.960 1.00 10.94 C ATOM 31 O GLY A 4 3.987 58.831 -11.900 1.00 9.70 O ATOM 32 N ARG A 5 3.546 57.167 -13.345 1.00 12.04 N ATOM 33 CA ARG A 5 4.200 56.142 -12.571 1.00 12.51 C ATOM 34 C ARG A 5 5.649 56.504 -12.238 1.00 12.99 C ATOM 35 O ARG A 5 6.067 56.529 -11.082 1.00 10.59 O ATOM 36 CB ARG A 5 4.164 54.867 -13.399 1.00 13.37 C ATOM 37 CG ARG A 5 4.812 53.736 -12.764 1.00 14.24 C ATOM 38 CD ARG A 5 4.549 52.454 -13.548 1.00 14.27 C ATOM 39 NE ARG A 5 5.041 52.514 -14.913 1.00 15.46 N ATOM 40 CZ ARG A 5 6.315 52.315 -15.238 1.00 15.12 C ATOM 41 NH1 ARG A 5 7.208 52.083 -14.286 1.00 12.98 N ATOM 42 NH2 ARG A 5 6.692 52.368 -16.514 1.00 14.26 N ATOM 43 N CYS A 6 6.439 56.780 -13.270 1.00 11.76 N ATOM 44 CA CYS A 6 7.827 57.091 -13.008 1.00 11.89 C ATOM 45 C CYS A 6 7.964 58.437 -12.314 1.00 10.65 C ATOM 46 O CYS A 6 8.825 58.606 -11.462 1.00 9.69 O ATOM 47 CB CYS A 6 8.616 57.063 -14.297 1.00 12.58 C ATOM 48 SG CYS A 6 8.743 55.415 -14.881 1.00 14.90 S ATOM 49 N GLU A 7 7.081 59.368 -12.651 1.00 8.99 N ATOM 50 CA GLU A 7 7.119 60.693 -12.041 1.00 9.60 C ATOM 51 C GLU A 7 6.924 60.526 -10.548 1.00 9.85 C ATOM 52 O GLU A 7 7.602 61.144 -9.730 1.00 8.75 O ATOM 53 CB GLU A 7 5.974 61.532 -12.552 1.00 10.58 C ATOM 54 CG GLU A 7 6.047 62.963 -12.099 1.00 12.09 C ATOM 55 CD GLU A 7 4.869 63.735 -12.554 1.00 13.48 C ATOM 56 OE1 GLU A 7 3.928 63.105 -13.074 1.00 13.77 O ATOM 57 OE2 GLU A 7 4.873 64.966 -12.374 1.00 14.18 O ATOM 58 N LEU A 8 5.962 59.688 -10.198 1.00 6.81 N ATOM 59 CA LEU A 8 5.721 59.482 -8.773 1.00 9.02 C ATOM 60 C LEU A 8 6.870 58.766 -8.095 1.00 8.57 C ATOM 61 O LEU A 8 7.303 59.162 -7.000 1.00 8.71 O ATOM 62 CB LEU A 8 4.426 58.726 -8.567 1.00 9.07 C ATOM 63 CG LEU A 8 4.172 58.480 -7.096 1.00 9.59 C ATOM 64 CD1 LEU A 8 4.179 59.856 -6.386 1.00 8.42 C ATOM 65 CD2 LEU A 8 2.826 57.736 -7.008 1.00 9.86 C ATOM 66 N ALA A 9 7.373 57.724 -8.751 1.00 8.80 N ATOM 67 CA ALA A 9 8.555 57.018 -8.268 1.00 9.39 C ATOM 68 C ALA A 9 9.656 58.039 -7.988 1.00 10.75 C ATOM 69 O ALA A 9 10.229 58.114 -6.882 1.00 10.04 O ATOM 70 CB ALA A 9 8.989 55.968 -9.275 1.00 10.07 C ATOM 71 N ALA A 10 9.935 58.882 -8.965 1.00 10.89 N ATOM 72 CA ALA A 10 10.958 59.912 -8.772 1.00 10.11 C ATOM 73 C ALA A 10 10.691 60.813 -7.568 1.00 11.01 C ATOM 74 O ALA A 10 11.591 61.095 -6.779 1.00 12.78 O ATOM 75 CB ALA A 10 11.105 60.734 -10.034 1.00 10.32 C ATOM 76 N ALA A 11 9.455 61.260 -7.421 1.00 11.18 N ATOM 77 CA ALA A 11 9.095 62.164 -6.357 1.00 11.38 C ATOM 78 C ALA A 11 9.213 61.420 -5.048 1.00 10.96 C ATOM 79 O ALA A 11 9.694 61.962 -4.054 1.00 12.32 O ATOM 80 CB ALA A 11 7.695 62.677 -6.545 1.00 9.92 C ATOM 81 N MET A 12 8.797 60.162 -5.050 1.00 10.81 N ATOM 82 CA MET A 12 8.856 59.405 -3.810 1.00 12.27 C ATOM 83 C MET A 12 10.281 59.221 -3.395 1.00 12.86 C ATOM 84 O MET A 12 10.623 59.394 -2.239 1.00 12.87 O ATOM 85 CB MET A 12 8.148 58.083 -3.966 1.00 10.92 C ATOM 86 CG MET A 12 6.673 58.294 -3.965 1.00 10.15 C ATOM 87 SD MET A 12 5.903 56.739 -4.241 1.00 10.63 S ATOM 88 CE MET A 12 4.286 56.963 -3.512 1.00 10.57 C ATOM 89 N LYS A 13 11.118 58.904 -4.366 1.00 13.55 N ATOM 90 CA LYS A 13 12.519 58.694 -4.125 1.00 14.59 C ATOM 91 C LYS A 13 13.097 59.995 -3.639 1.00 15.35 C ATOM 92 O LYS A 13 13.876 60.026 -2.687 1.00 15.85 O ATOM 93 CB LYS A 13 13.199 58.295 -5.432 1.00 14.78 C ATOM 94 CG LYS A 13 14.675 58.105 -5.272 1.00 15.69 C ATOM 95 CD LYS A 13 15.243 57.437 -6.520 1.00 16.72 C ATOM 96 CE LYS A 13 16.410 56.557 -6.171 1.00 19.86 C ATOM 97 NZ LYS A 13 17.585 56.817 -7.062 1.00 19.88 N ATOM 98 N ARG A 14 12.663 61.078 -4.272 1.00 14.73 N ATOM 99 CA ARG A 14 13.152 62.407 -3.977 1.00 16.95 C ATOM 100 C ARG A 14 12.875 62.747 -2.519 1.00 16.77 C ATOM 101 O ARG A 14 13.679 63.389 -1.846 1.00 17.69 O ATOM 102 CB ARG A 14 12.477 63.410 -4.912 1.00 19.65 C ATOM 103 CG ARG A 14 13.433 64.434 -5.482 1.00 24.68 C ATOM 104 CD ARG A 14 13.434 65.701 -4.685 1.00 25.86 C ATOM 105 NE ARG A 14 12.285 66.557 -4.977 1.00 27.80 N ATOM 106 CZ ARG A 14 12.010 67.667 -4.302 1.00 27.44 C ATOM 107 NH1 ARG A 14 12.803 68.043 -3.311 1.00 27.01 N ATOM 108 NH2 ARG A 14 10.946 68.406 -4.619 1.00 28.11 N ATOM 109 N HIS A 15 11.738 62.278 -2.027 1.00 14.90 N ATOM 110 CA HIS A 15 11.361 62.507 -0.648 1.00 15.18 C ATOM 111 C HIS A 15 11.732 61.359 0.257 1.00 14.58 C ATOM 112 O HIS A 15 11.144 61.178 1.324 1.00 16.23 O ATOM 113 CB HIS A 15 9.878 62.791 -0.552 1.00 16.03 C ATOM 114 CG HIS A 15 9.498 64.091 -1.175 1.00 15.51 C ATOM 115 ND1 HIS A 15 9.329 64.239 -2.537 1.00 15.25 N ATOM 116 CD2 HIS A 15 9.328 65.317 -0.635 1.00 16.46 C ATOM 117 CE1 HIS A 15 9.013 65.495 -2.801 1.00 15.54 C ATOM 118 NE2 HIS A 15 9.005 66.169 -1.666 1.00 17.51 N ATOM 119 N GLY A 16 12.714 60.589 -0.177 1.00 15.08 N ATOM 120 CA GLY A 16 13.308 59.537 0.641 1.00 15.18 C ATOM 121 C GLY A 16 12.428 58.359 1.006 1.00 14.39 C ATOM 122 O GLY A 16 12.640 57.736 2.035 1.00 13.31 O ATOM 123 N LEU A 17 11.465 58.018 0.158 1.00 13.45 N ATOM 124 CA LEU A 17 10.642 56.849 0.420 1.00 13.42 C ATOM 125 C LEU A 17 11.261 55.580 -0.112 1.00 14.61 C ATOM 126 O LEU A 17 10.902 54.485 0.317 1.00 14.57 O ATOM 127 CB LEU A 17 9.267 56.978 -0.227 1.00 13.43 C ATOM 128 CG LEU A 17 8.055 57.461 0.563 1.00 14.43 C ATOM 129 CD1 LEU A 17 6.847 57.344 -0.362 1.00 12.49 C ATOM 130 CD2 LEU A 17 7.802 56.722 1.898 1.00 12.58 C ATOM 131 N ASP A 18 12.146 55.704 -1.097 1.00 15.57 N ATOM 132 CA ASP A 18 12.737 54.515 -1.708 1.00 15.97 C ATOM 133 C ASP A 18 13.423 53.815 -0.576 1.00 15.75 C ATOM 134 O ASP A 18 14.305 54.387 0.078 1.00 15.48 O ATOM 135 CB ASP A 18 13.754 54.844 -2.829 1.00 19.47 C ATOM 136 CG ASP A 18 14.290 53.566 -3.585 1.00 20.84 C ATOM 137 OD1 ASP A 18 13.871 52.415 -3.272 1.00 25.39 O ATOM 138 OD2 ASP A 18 15.132 53.713 -4.536 1.00 24.47 O ATOM 139 N ASN A 19 12.971 52.598 -0.314 1.00 15.24 N ATOM 140 CA ASN A 19 13.629 51.726 0.622 1.00 14.32 C ATOM 141 C ASN A 19 13.325 52.130 2.033 1.00 13.01 C ATOM 142 O ASN A 19 13.905 51.582 2.966 1.00 12.70 O ATOM 143 CB ASN A 19 15.139 51.790 0.441 1.00 17.96 C ATOM 144 CG ASN A 19 15.590 51.329 -0.929 1.00 21.05 C ATOM 145 OD1 ASN A 19 15.048 50.381 -1.483 1.00 23.62 O ATOM 146 ND2 ASN A 19 16.616 51.985 -1.467 1.00 21.79 N ATOM 147 N TYR A 20 12.431 53.100 2.193 1.00 11.54 N ATOM 148 CA TYR A 20 12.079 53.548 3.517 1.00 11.28 C ATOM 149 C TYR A 20 11.435 52.436 4.308 1.00 11.82 C ATOM 150 O TYR A 20 10.451 51.823 3.873 1.00 11.90 O ATOM 151 CB TYR A 20 11.131 54.740 3.459 1.00 10.70 C ATOM 152 CG TYR A 20 10.955 55.320 4.821 1.00 12.25 C ATOM 153 CD1 TYR A 20 11.859 56.249 5.303 1.00 11.16 C ATOM 154 CD2 TYR A 20 9.928 54.901 5.652 1.00 11.61 C ATOM 155 CE1 TYR A 20 11.740 56.762 6.564 1.00 12.51 C ATOM 156 CE2 TYR A 20 9.786 55.417 6.919 1.00 12.07 C ATOM 157 CZ TYR A 20 10.713 56.338 7.377 1.00 11.98 C ATOM 158 OH TYR A 20 10.585 56.878 8.633 1.00 11.87 O ATOM 159 N ARG A 21 11.984 52.175 5.491 1.00 11.33 N ATOM 160 CA ARG A 21 11.553 51.021 6.273 1.00 12.57 C ATOM 161 C ARG A 21 11.627 49.770 5.422 1.00 11.29 C ATOM 162 O ARG A 21 10.891 48.820 5.652 1.00 9.81 O ATOM 163 CB ARG A 21 10.132 51.208 6.794 1.00 14.74 C ATOM 164 CG ARG A 21 10.034 52.169 7.963 1.00 19.09 C ATOM 165 CD ARG A 21 10.498 51.565 9.282 1.00 21.76 C ATOM 166 NE ARG A 21 10.916 52.626 10.216 1.00 26.06 N ATOM 167 CZ ARG A 21 10.922 52.503 11.546 1.00 27.42 C ATOM 168 NH1 ARG A 21 10.526 51.367 12.109 1.00 28.20 N ATOM 169 NH2 ARG A 21 11.310 53.520 12.314 1.00 27.84 N ATOM 170 N GLY A 22 12.501 49.790 4.421 1.00 10.27 N ATOM 171 CA GLY A 22 12.844 48.593 3.690 1.00 10.06 C ATOM 172 C GLY A 22 11.876 48.305 2.572 1.00 10.80 C ATOM 173 O GLY A 22 11.891 47.243 1.988 1.00 10.50 O ATOM 174 N TYR A 23 11.015 49.267 2.294 1.00 9.03 N ATOM 175 CA TYR A 23 10.056 49.096 1.236 1.00 7.98 C ATOM 176 C TYR A 23 10.592 49.805 0.047 1.00 8.88 C ATOM 177 O TYR A 23 10.715 51.036 0.023 1.00 8.73 O ATOM 178 CB TYR A 23 8.734 49.694 1.635 1.00 9.23 C ATOM 179 CG TYR A 23 8.058 48.832 2.616 1.00 8.74 C ATOM 180 CD1 TYR A 23 7.284 47.755 2.193 1.00 8.97 C ATOM 181 CD2 TYR A 23 8.217 49.061 3.995 1.00 7.93 C ATOM 182 CE1 TYR A 23 6.660 46.937 3.115 1.00 8.46 C ATOM 183 CE2 TYR A 23 7.609 48.236 4.918 1.00 8.51 C ATOM 184 CZ TYR A 23 6.822 47.184 4.464 1.00 9.16 C ATOM 185 OH TYR A 23 6.195 46.351 5.352 1.00 8.29 O ATOM 186 N SER A 24 10.932 48.996 -0.940 1.00 9.87 N ATOM 187 CA SER A 24 11.434 49.509 -2.176 1.00 10.54 C ATOM 188 C SER A 24 10.415 50.438 -2.824 1.00 10.92 C ATOM 189 O SER A 24 9.178 50.346 -2.608 1.00 9.19 O ATOM 190 CB SER A 24 11.747 48.349 -3.090 1.00 11.20 C ATOM 191 OG SER A 24 10.547 47.752 -3.485 1.00 13.04 O ATOM 192 N LEU A 25 10.943 51.325 -3.653 1.00 10.12 N ATOM 193 CA LEU A 25 10.123 52.313 -4.307 1.00 9.65 C ATOM 194 C LEU A 25 8.928 51.680 -4.987 1.00 9.33 C ATOM 195 O LEU A 25 7.857 52.276 -5.026 1.00 9.85 O ATOM 196 CB LEU A 25 10.955 53.012 -5.354 1.00 13.40 C ATOM 197 CG LEU A 25 10.507 54.352 -5.855 1.00 14.69 C ATOM 198 CD1 LEU A 25 10.226 55.258 -4.663 1.00 13.91 C ATOM 199 CD2 LEU A 25 11.657 54.898 -6.690 1.00 15.28 C ATOM 200 N GLY A 26 9.108 50.491 -5.549 1.00 8.79 N ATOM 201 CA GLY A 26 8.019 49.855 -6.318 1.00 7.78 C ATOM 202 C GLY A 26 6.845 49.639 -5.387 1.00 8.37 C ATOM 203 O GLY A 26 5.702 49.707 -5.770 1.00 9.51 O ATOM 204 N ASN A 27 7.137 49.362 -4.131 1.00 8.92 N ATOM 205 CA ASN A 27 6.058 49.138 -3.215 1.00 7.74 C ATOM 206 C ASN A 27 5.247 50.367 -3.015 1.00 5.80 C ATOM 207 O ASN A 27 4.056 50.316 -2.985 1.00 6.11 O ATOM 208 CB ASN A 27 6.611 48.678 -1.872 1.00 7.97 C ATOM 209 CG ASN A 27 6.930 47.227 -1.904 1.00 6.50 C ATOM 210 OD1 ASN A 27 6.023 46.414 -1.851 1.00 8.27 O ATOM 211 ND2 ASN A 27 8.210 46.880 -2.038 1.00 7.71 N ATOM 212 N TRP A 28 5.933 51.472 -2.830 1.00 6.38 N ATOM 213 CA TRP A 28 5.254 52.712 -2.599 1.00 6.77 C ATOM 214 C TRP A 28 4.521 53.162 -3.812 1.00 6.71 C ATOM 215 O TRP A 28 3.449 53.711 -3.706 1.00 7.03 O ATOM 216 CB TRP A 28 6.273 53.759 -2.238 1.00 7.46 C ATOM 217 CG TRP A 28 6.930 53.435 -0.965 1.00 7.40 C ATOM 218 CD1 TRP A 28 8.193 52.937 -0.766 1.00 8.29 C ATOM 219 CD2 TRP A 28 6.334 53.550 0.304 1.00 8.71 C ATOM 220 NE1 TRP A 28 8.432 52.790 0.585 1.00 8.37 N ATOM 221 CE2 TRP A 28 7.289 53.130 1.260 1.00 8.83 C ATOM 222 CE3 TRP A 28 5.075 53.979 0.737 1.00 7.31 C ATOM 223 CZ2 TRP A 28 7.024 53.155 2.637 1.00 9.06 C ATOM 224 CZ3 TRP A 28 4.820 53.996 2.110 1.00 8.76 C ATOM 225 CH2 TRP A 28 5.785 53.591 3.024 1.00 8.29 C ATOM 226 N VAL A 29 5.125 52.963 -4.975 1.00 7.78 N ATOM 227 CA VAL A 29 4.410 53.312 -6.207 1.00 7.58 C ATOM 228 C VAL A 29 3.199 52.427 -6.366 1.00 5.94 C ATOM 229 O VAL A 29 2.111 52.891 -6.677 1.00 5.95 O ATOM 230 CB VAL A 29 5.335 53.194 -7.433 1.00 7.74 C ATOM 231 CG1 VAL A 29 4.536 53.427 -8.731 1.00 8.33 C ATOM 232 CG2 VAL A 29 6.508 54.195 -7.280 1.00 9.33 C ATOM 233 N CYS A 30 3.376 51.156 -6.067 1.00 7.00 N ATOM 234 CA CYS A 30 2.301 50.225 -6.208 1.00 6.83 C ATOM 235 C CYS A 30 1.180 50.627 -5.251 1.00 8.16 C ATOM 236 O CYS A 30 0.016 50.649 -5.626 1.00 8.47 O ATOM 237 CB CYS A 30 2.768 48.787 -5.983 1.00 6.66 C ATOM 238 SG CYS A 30 1.451 47.657 -6.158 1.00 9.38 S ATOM 239 N ALA A 31 1.546 50.997 -4.036 1.00 6.93 N ATOM 240 CA ALA A 31 0.550 51.376 -3.050 1.00 7.51 C ATOM 241 C ALA A 31 -0.161 52.620 -3.535 1.00 7.06 C ATOM 242 O ALA A 31 -1.374 52.715 -3.479 1.00 7.94 O ATOM 243 CB ALA A 31 1.205 51.606 -1.689 1.00 8.09 C ATOM 244 N ALA A 32 0.601 53.570 -4.044 1.00 6.45 N ATOM 245 CA ALA A 32 0.001 54.790 -4.537 1.00 6.66 C ATOM 246 C ALA A 32 -0.946 54.450 -5.674 1.00 5.56 C ATOM 247 O ALA A 32 -2.030 54.988 -5.776 1.00 5.48 O ATOM 248 CB ALA A 32 1.044 55.720 -5.011 1.00 6.49 C ATOM 249 N LYS A 33 -0.510 53.546 -6.542 1.00 5.84 N ATOM 250 CA LYS A 33 -1.304 53.211 -7.690 1.00 7.93 C ATOM 251 C LYS A 33 -2.671 52.743 -7.249 1.00 6.51 C ATOM 252 O LYS A 33 -3.703 53.200 -7.762 1.00 9.12 O ATOM 253 CB LYS A 33 -0.618 52.109 -8.490 1.00 8.19 C ATOM 254 CG LYS A 33 -1.544 51.496 -9.526 1.00 10.32 C ATOM 255 CD LYS A 33 -1.839 52.485 -10.642 1.00 12.48 C ATOM 256 CE LYS A 33 -2.715 51.841 -11.679 1.00 13.75 C ATOM 257 NZ LYS A 33 -3.114 52.816 -12.739 1.00 15.02 N ATOM 258 N PHE A 34 -2.693 51.841 -6.272 1.00 8.18 N ATOM 259 CA PHE A 34 -3.964 51.251 -5.936 1.00 7.64 C ATOM 260 C PHE A 34 -4.724 52.036 -4.887 1.00 7.93 C ATOM 261 O PHE A 34 -5.947 51.906 -4.758 1.00 8.96 O ATOM 262 CB PHE A 34 -3.766 49.807 -5.585 1.00 7.38 C ATOM 263 CG PHE A 34 -3.336 49.012 -6.753 1.00 8.48 C ATOM 264 CD1 PHE A 34 -4.049 49.115 -7.942 1.00 8.35 C ATOM 265 CD2 PHE A 34 -2.198 48.218 -6.701 1.00 9.31 C ATOM 266 CE1 PHE A 34 -3.645 48.391 -9.040 1.00 9.43 C ATOM 267 CE2 PHE A 34 -1.790 47.507 -7.778 1.00 10.31 C ATOM 268 CZ PHE A 34 -2.496 47.581 -8.954 1.00 9.50 C ATOM 269 N GLU A 35 -4.003 52.868 -4.156 1.00 6.90 N ATOM 270 CA GLU A 35 -4.676 53.727 -3.202 1.00 6.79 C ATOM 271 C GLU A 35 -5.366 54.874 -3.919 1.00 7.90 C ATOM 272 O GLU A 35 -6.513 55.162 -3.660 1.00 6.40 O ATOM 273 CB GLU A 35 -3.685 54.278 -2.180 1.00 6.82 C ATOM 274 CG GLU A 35 -3.181 53.252 -1.175 1.00 6.50 C ATOM 275 CD GLU A 35 -4.316 52.618 -0.342 1.00 6.63 C ATOM 276 OE1 GLU A 35 -5.455 53.111 -0.375 1.00 8.43 O ATOM 277 OE2 GLU A 35 -4.057 51.596 0.317 1.00 9.32 O ATOM 278 N SER A 36 -4.663 55.529 -4.844 1.00 7.35 N ATOM 279 CA SER A 36 -5.168 56.791 -5.360 1.00 7.68 C ATOM 280 C SER A 36 -5.070 56.851 -6.854 1.00 8.51 C ATOM 281 O SER A 36 -5.412 57.861 -7.438 1.00 8.68 O ATOM 282 CB SER A 36 -4.311 57.924 -4.841 1.00 6.52 C ATOM 283 OG SER A 36 -2.987 57.730 -5.330 1.00 5.72 O ATOM 284 N ASN A 37 -4.568 55.780 -7.466 1.00 9.33 N ATOM 285 CA ASN A 37 -4.286 55.826 -8.887 1.00 9.46 C ATOM 286 C ASN A 37 -3.412 57.010 -9.211 1.00 8.41 C ATOM 287 O ASN A 37 -3.561 57.650 -10.262 1.00 9.38 O ATOM 288 CB ASN A 37 -5.559 55.930 -9.704 1.00 10.15 C ATOM 289 CG ASN A 37 -5.339 55.420 -11.086 1.00 11.83 C ATOM 290 OD1 ASN A 37 -4.332 54.752 -11.322 1.00 11.83 O ATOM 291 ND2 ASN A 37 -6.250 55.699 -11.994 1.00 13.59 N ATOM 292 N PHE A 38 -2.535 57.321 -8.267 1.00 8.42 N ATOM 293 CA PHE A 38 -1.534 58.351 -8.415 1.00 7.91 C ATOM 294 C PHE A 38 -2.089 59.756 -8.354 1.00 7.95 C ATOM 295 O PHE A 38 -1.399 60.684 -8.704 1.00 8.70 O ATOM 296 CB PHE A 38 -0.805 58.185 -9.737 1.00 7.71 C ATOM 297 CG PHE A 38 -0.076 56.893 -9.879 1.00 7.03 C ATOM 298 CD1 PHE A 38 0.478 56.237 -8.786 1.00 5.50 C ATOM 299 CD2 PHE A 38 0.105 56.357 -11.141 1.00 6.37 C ATOM 300 CE1 PHE A 38 1.195 55.077 -8.949 1.00 7.26 C ATOM 301 CE2 PHE A 38 0.786 55.194 -11.304 1.00 8.50 C ATOM 302 CZ PHE A 38 1.346 54.544 -10.216 1.00 8.52 C ATOM 303 N ASN A 39 -3.331 59.891 -7.919 1.00 6.61 N ATOM 304 CA ASN A 39 -3.989 61.182 -7.920 1.00 7.32 C ATOM 305 C ASN A 39 -3.833 61.726 -6.526 1.00 7.35 C ATOM 306 O ASN A 39 -4.365 61.164 -5.559 1.00 7.07 O ATOM 307 CB ASN A 39 -5.443 60.993 -8.262 1.00 8.62 C ATOM 308 CG ASN A 39 -6.198 62.275 -8.307 1.00 9.44 C ATOM 309 OD1 ASN A 39 -5.702 63.309 -7.885 1.00 6.46 O ATOM 310 ND2 ASN A 39 -7.433 62.218 -8.824 1.00 10.59 N ATOM 311 N THR A 40 -3.084 62.805 -6.418 1.00 7.29 N ATOM 312 CA THR A 40 -2.837 63.366 -5.129 1.00 7.65 C ATOM 313 C THR A 40 -4.132 63.816 -4.470 1.00 6.08 C ATOM 314 O THR A 40 -4.184 63.962 -3.278 1.00 8.12 O ATOM 315 CB THR A 40 -1.900 64.563 -5.189 1.00 8.44 C ATOM 316 OG1 THR A 40 -2.493 65.618 -5.963 1.00 8.11 O ATOM 317 CG2 THR A 40 -0.563 64.135 -5.795 1.00 6.48 C ATOM 318 N GLN A 41 -5.165 64.073 -5.262 1.00 6.60 N ATOM 319 CA GLN A 41 -6.345 64.667 -4.683 1.00 6.06 C ATOM 320 C GLN A 41 -7.373 63.654 -4.238 1.00 7.05 C ATOM 321 O GLN A 41 -8.434 64.050 -3.764 1.00 8.24 O ATOM 322 CB GLN A 41 -7.003 65.614 -5.674 1.00 6.71 C ATOM 323 CG GLN A 41 -6.078 66.721 -6.088 1.00 7.33 C ATOM 324 CD GLN A 41 -6.850 67.811 -6.698 1.00 8.44 C ATOM 325 OE1 GLN A 41 -7.557 68.523 -6.001 1.00 10.86 O ATOM 326 NE2 GLN A 41 -6.805 67.903 -8.021 1.00 9.38 N ATOM 327 N ALA A 42 -7.047 62.371 -4.401 1.00 6.78 N ATOM 328 CA ALA A 42 -7.952 61.272 -4.113 1.00 7.40 C ATOM 329 C ALA A 42 -8.396 61.395 -2.657 1.00 7.92 C ATOM 330 O ALA A 42 -7.579 61.513 -1.759 1.00 5.64 O ATOM 331 CB ALA A 42 -7.212 59.982 -4.290 1.00 6.46 C ATOM 332 N THR A 43 -9.688 61.336 -2.430 1.00 7.47 N ATOM 333 CA THR A 43 -10.154 61.277 -1.072 1.00 8.72 C ATOM 334 C THR A 43 -11.214 60.198 -1.123 1.00 9.21 C ATOM 335 O THR A 43 -11.911 60.044 -2.117 1.00 9.04 O ATOM 336 CB THR A 43 -10.801 62.589 -0.627 1.00 8.20 C ATOM 337 OG1 THR A 43 -11.920 62.875 -1.465 1.00 9.92 O ATOM 338 CG2 THR A 43 -9.824 63.735 -0.667 1.00 9.37 C ATOM 339 N ASN A 44 -11.347 59.447 -0.055 1.00 8.75 N ATOM 340 CA ASN A 44 -12.324 58.382 -0.039 1.00 9.18 C ATOM 341 C ASN A 44 -12.786 58.236 1.371 1.00 8.08 C ATOM 342 O ASN A 44 -11.970 58.064 2.256 1.00 6.98 O ATOM 343 CB ASN A 44 -11.704 57.083 -0.478 1.00 10.81 C ATOM 344 CG ASN A 44 -11.509 57.039 -1.956 1.00 12.79 C ATOM 345 OD1 ASN A 44 -10.380 57.056 -2.444 1.00 16.63 O ATOM 346 ND2 ASN A 44 -12.630 57.047 -2.700 1.00 12.43 N ATOM 347 N ARG A 45 -14.095 58.321 1.536 1.00 9.58 N ATOM 348 CA ARG A 45 -14.700 58.208 2.853 1.00 10.90 C ATOM 349 C ARG A 45 -14.722 56.764 3.243 1.00 11.26 C ATOM 350 O ARG A 45 -15.099 55.903 2.450 1.00 12.41 O ATOM 351 CB ARG A 45 -16.134 58.685 2.824 1.00 12.86 C ATOM 352 CG ARG A 45 -16.657 58.967 4.220 1.00 14.10 C ATOM 353 CD ARG A 45 -16.102 60.295 4.619 1.00 15.72 C ATOM 354 NE ARG A 45 -16.422 60.671 5.987 1.00 17.66 N ATOM 355 CZ ARG A 45 -17.355 61.558 6.289 1.00 17.24 C ATOM 356 NH1 ARG A 45 -18.032 62.161 5.321 1.00 17.75 N ATOM 357 NH2 ARG A 45 -17.576 61.877 7.550 1.00 16.87 N ATOM 358 N ASN A 46 -14.383 56.510 4.499 1.00 11.93 N ATOM 359 CA ASN A 46 -14.441 55.186 5.037 1.00 12.84 C ATOM 360 C ASN A 46 -15.761 55.010 5.713 1.00 14.01 C ATOM 361 O ASN A 46 -16.372 55.978 6.124 1.00 14.45 O ATOM 362 CB ASN A 46 -13.296 55.004 6.018 1.00 13.09 C ATOM 363 CG ASN A 46 -11.976 55.182 5.363 1.00 11.69 C ATOM 364 OD1 ASN A 46 -11.063 55.843 5.879 1.00 14.14 O ATOM 365 ND2 ASN A 46 -11.865 54.625 4.181 1.00 10.36 N ATOM 366 N THR A 47 -16.222 53.765 5.779 1.00 15.95 N ATOM 367 CA THR A 47 -17.481 53.441 6.430 1.00 18.68 C ATOM 368 C THR A 47 -17.595 54.089 7.800 1.00 19.13 C ATOM 369 O THR A 47 -18.684 54.478 8.239 1.00 19.78 O ATOM 370 CB THR A 47 -17.595 51.909 6.646 1.00 19.09 C ATOM 371 OG1 THR A 47 -16.426 51.425 7.319 1.00 22.25 O ATOM 372 CG2 THR A 47 -17.737 51.212 5.326 1.00 20.18 C ATOM 373 N ASP A 48 -16.463 54.181 8.480 1.00 18.20 N ATOM 374 CA ASP A 48 -16.451 54.606 9.876 1.00 18.23 C ATOM 375 C ASP A 48 -16.418 56.109 10.044 1.00 17.47 C ATOM 376 O ASP A 48 -16.339 56.611 11.180 1.00 17.05 O ATOM 377 CB ASP A 48 -15.276 53.980 10.625 1.00 18.00 C ATOM 378 CG ASP A 48 -13.918 54.459 10.120 1.00 19.66 C ATOM 379 OD1 ASP A 48 -13.830 55.350 9.239 1.00 18.35 O ATOM 380 OD2 ASP A 48 -12.920 53.930 10.613 1.00 21.80 O ATOM 381 N GLY A 49 -16.516 56.818 8.925 1.00 14.60 N ATOM 382 CA GLY A 49 -16.594 58.273 8.932 1.00 13.63 C ATOM 383 C GLY A 49 -15.225 58.911 8.775 1.00 11.37 C ATOM 384 O GLY A 49 -15.128 60.125 8.607 1.00 11.68 O ATOM 385 N SER A 50 -14.163 58.115 8.847 1.00 9.82 N ATOM 386 CA SER A 50 -12.859 58.684 8.584 1.00 8.33 C ATOM 387 C SER A 50 -12.778 58.800 7.070 1.00 7.21 C ATOM 388 O SER A 50 -13.617 58.269 6.373 1.00 9.77 O ATOM 389 CB SER A 50 -11.721 57.810 9.063 1.00 9.16 C ATOM 390 OG SER A 50 -11.746 56.568 8.385 1.00 10.31 O ATOM 391 N THR A 51 -11.752 59.483 6.598 1.00 5.99 N ATOM 392 CA THR A 51 -11.551 59.648 5.163 1.00 5.80 C ATOM 393 C THR A 51 -10.097 59.399 4.919 1.00 5.53 C ATOM 394 O THR A 51 -9.236 59.746 5.732 1.00 5.03 O ATOM 395 CB THR A 51 -11.882 61.070 4.756 1.00 4.07 C ATOM 396 OG1 THR A 51 -13.249 61.319 5.015 1.00 4.55 O ATOM 397 CG2 THR A 51 -11.587 61.330 3.256 1.00 6.59 C ATOM 398 N ASP A 52 -9.813 58.815 3.761 1.00 5.39 N ATOM 399 CA ASP A 52 -8.474 58.601 3.317 1.00 6.95 C ATOM 400 C ASP A 52 -8.148 59.678 2.318 1.00 6.74 C ATOM 401 O ASP A 52 -8.960 60.020 1.450 1.00 5.75 O ATOM 402 CB ASP A 52 -8.352 57.269 2.615 1.00 8.23 C ATOM 403 CG ASP A 52 -8.534 56.097 3.550 1.00 12.23 C ATOM 404 OD1 ASP A 52 -8.530 56.304 4.766 1.00 12.10 O ATOM 405 OD2 ASP A 52 -8.648 54.965 3.059 1.00 15.52 O ATOM 406 N TYR A 53 -6.933 60.167 2.432 1.00 6.16 N ATOM 407 CA TYR A 53 -6.557 61.324 1.706 1.00 7.46 C ATOM 408 C TYR A 53 -5.311 61.092 0.924 1.00 8.59 C ATOM 409 O TYR A 53 -4.303 60.655 1.440 1.00 9.70 O ATOM 410 CB TYR A 53 -6.295 62.488 2.641 1.00 7.24 C ATOM 411 CG TYR A 53 -7.527 62.977 3.292 1.00 7.15 C ATOM 412 CD1 TYR A 53 -7.975 62.388 4.452 1.00 8.14 C ATOM 413 CD2 TYR A 53 -8.266 64.028 2.744 1.00 8.72 C ATOM 414 CE1 TYR A 53 -9.103 62.808 5.066 1.00 6.55 C ATOM 415 CE2 TYR A 53 -9.419 64.463 3.355 1.00 6.63 C ATOM 416 CZ TYR A 53 -9.822 63.835 4.537 1.00 6.12 C ATOM 417 OH TYR A 53 -10.943 64.209 5.196 1.00 7.65 O ATOM 418 N GLY A 54 -5.374 61.458 -0.335 1.00 7.73 N ATOM 419 CA GLY A 54 -4.154 61.670 -1.019 1.00 7.71 C ATOM 420 C GLY A 54 -3.659 60.459 -1.718 1.00 7.05 C ATOM 421 O GLY A 54 -4.312 59.418 -1.783 1.00 7.92 O ATOM 422 N ILE A 55 -2.463 60.637 -2.243 1.00 7.37 N ATOM 423 CA ILE A 55 -1.831 59.674 -3.097 1.00 8.68 C ATOM 424 C ILE A 55 -1.645 58.337 -2.366 1.00 9.19 C ATOM 425 O ILE A 55 -1.657 57.269 -2.959 1.00 8.62 O ATOM 426 CB ILE A 55 -0.510 60.287 -3.593 1.00 10.14 C ATOM 427 CG1 ILE A 55 -0.009 59.539 -4.830 1.00 12.77 C ATOM 428 CG2 ILE A 55 0.490 60.426 -2.439 1.00 10.38 C ATOM 429 CD1 ILE A 55 0.327 60.432 -5.979 1.00 14.22 C ATOM 430 N LEU A 56 -1.522 58.396 -1.052 1.00 9.74 N ATOM 431 CA LEU A 56 -1.387 57.171 -0.292 1.00 9.68 C ATOM 432 C LEU A 56 -2.575 56.956 0.639 1.00 9.60 C ATOM 433 O LEU A 56 -2.564 56.061 1.489 1.00 7.62 O ATOM 434 CB LEU A 56 -0.066 57.175 0.453 1.00 10.51 C ATOM 435 CG LEU A 56 1.111 56.839 -0.472 1.00 10.63 C ATOM 436 CD1 LEU A 56 2.362 57.200 0.300 1.00 10.55 C ATOM 437 CD2 LEU A 56 1.105 55.373 -0.867 1.00 11.13 C ATOM 438 N GLN A 57 -3.628 57.739 0.429 1.00 7.40 N ATOM 439 CA GLN A 57 -4.913 57.438 1.079 1.00 7.54 C ATOM 440 C GLN A 57 -4.751 57.276 2.568 1.00 7.98 C ATOM 441 O GLN A 57 -5.237 56.313 3.187 1.00 7.66 O ATOM 442 CB GLN A 57 -5.515 56.189 0.464 1.00 7.96 C ATOM 443 CG GLN A 57 -6.065 56.521 -0.876 1.00 6.94 C ATOM 444 CD GLN A 57 -7.210 57.464 -0.805 1.00 6.87 C ATOM 445 OE1 GLN A 57 -8.361 57.065 -0.587 1.00 7.84 O ATOM 446 NE2 GLN A 57 -6.931 58.725 -1.028 1.00 7.57 N ATOM 447 N ILE A 58 -4.047 58.244 3.112 1.00 8.00 N ATOM 448 CA ILE A 58 -3.804 58.302 4.534 1.00 8.59 C ATOM 449 C ILE A 58 -5.074 58.646 5.280 1.00 8.20 C ATOM 450 O ILE A 58 -5.802 59.556 4.921 1.00 7.87 O ATOM 451 CB ILE A 58 -2.674 59.253 4.762 1.00 8.31 C ATOM 452 CG1 ILE A 58 -1.404 58.604 4.210 1.00 8.77 C ATOM 453 CG2 ILE A 58 -2.533 59.633 6.205 1.00 8.83 C ATOM 454 CD1 ILE A 58 -0.266 59.581 4.028 1.00 10.56 C ATOM 455 N ASN A 59 -5.357 57.876 6.323 1.00 9.05 N ATOM 456 CA ASN A 59 -6.655 57.921 6.933 1.00 10.17 C ATOM 457 C ASN A 59 -6.725 58.937 8.063 1.00 9.40 C ATOM 458 O ASN A 59 -5.799 59.046 8.846 1.00 11.72 O ATOM 459 CB ASN A 59 -7.004 56.541 7.431 1.00 13.52 C ATOM 460 CG ASN A 59 -8.459 56.401 7.684 1.00 16.25 C ATOM 461 OD1 ASN A 59 -8.890 56.597 8.778 1.00 20.65 O ATOM 462 ND2 ASN A 59 -9.243 56.128 6.635 1.00 21.32 N ATOM 463 N SER A 60 -7.810 59.700 8.124 1.00 8.12 N ATOM 464 CA SER A 60 -7.943 60.732 9.123 1.00 9.22 C ATOM 465 C SER A 60 -8.224 60.084 10.488 1.00 10.56 C ATOM 466 O SER A 60 -8.140 60.734 11.529 1.00 12.32 O ATOM 467 CB SER A 60 -9.096 61.635 8.752 1.00 8.66 C ATOM 468 OG SER A 60 -10.295 60.881 8.591 1.00 7.10 O ATOM 469 N ARG A 61 -8.557 58.805 10.461 1.00 12.26 N ATOM 470 CA ARG A 61 -8.826 58.058 11.693 1.00 14.18 C ATOM 471 C ARG A 61 -7.627 58.165 12.596 1.00 14.35 C ATOM 472 O ARG A 61 -7.773 58.252 13.804 1.00 12.38 O ATOM 473 CB ARG A 61 -9.111 56.592 11.364 1.00 16.59 C ATOM 474 CG ARG A 61 -9.341 55.697 12.581 1.00 19.55 C ATOM 475 CD ARG A 61 -10.403 56.256 13.497 1.00 22.64 C ATOM 476 NE ARG A 61 -11.725 56.312 12.867 1.00 25.46 N ATOM 477 CZ ARG A 61 -12.732 57.060 13.312 1.00 26.89 C ATOM 478 NH1 ARG A 61 -12.574 57.821 14.399 1.00 28.07 N ATOM 479 NH2 ARG A 61 -13.894 57.057 12.674 1.00 26.97 N ATOM 480 N TRP A 62 -6.430 58.155 12.007 1.00 12.88 N ATOM 481 CA TRP A 62 -5.202 58.174 12.782 1.00 14.13 C ATOM 482 C TRP A 62 -4.259 59.295 12.460 1.00 13.37 C ATOM 483 O TRP A 62 -3.595 59.811 13.340 1.00 12.70 O ATOM 484 CB TRP A 62 -4.433 56.878 12.539 1.00 19.81 C ATOM 485 CG TRP A 62 -5.255 55.716 12.827 1.00 21.38 C ATOM 486 CD1 TRP A 62 -5.925 54.939 11.932 1.00 21.93 C ATOM 487 CD2 TRP A 62 -5.534 55.193 14.117 1.00 22.03 C ATOM 488 NE1 TRP A 62 -6.602 53.943 12.592 1.00 23.18 N ATOM 489 CE2 TRP A 62 -6.387 54.084 13.939 1.00 22.50 C ATOM 490 CE3 TRP A 62 -5.154 55.562 15.409 1.00 22.86 C ATOM 491 CZ2 TRP A 62 -6.865 53.329 15.007 1.00 22.97 C ATOM 492 CZ3 TRP A 62 -5.619 54.807 16.479 1.00 22.72 C ATOM 493 CH2 TRP A 62 -6.472 53.702 16.267 1.00 22.39 C ATOM 494 N TRP A 63 -4.172 59.654 11.180 1.00 9.47 N ATOM 495 CA TRP A 63 -2.944 60.288 10.702 1.00 9.54 C ATOM 496 C TRP A 63 -3.017 61.770 10.438 1.00 8.06 C ATOM 497 O TRP A 63 -2.035 62.457 10.543 1.00 8.08 O ATOM 498 CB TRP A 63 -2.430 59.566 9.450 1.00 9.59 C ATOM 499 CG TRP A 63 -2.300 58.144 9.726 1.00 10.16 C ATOM 500 CD1 TRP A 63 -3.108 57.147 9.297 1.00 10.18 C ATOM 501 CD2 TRP A 63 -1.346 57.555 10.602 1.00 10.95 C ATOM 502 NE1 TRP A 63 -2.704 55.954 9.821 1.00 11.32 N ATOM 503 CE2 TRP A 63 -1.618 56.178 10.634 1.00 10.69 C ATOM 504 CE3 TRP A 63 -0.278 58.060 11.344 1.00 9.62 C ATOM 505 CZ2 TRP A 63 -0.849 55.286 11.390 1.00 11.99 C ATOM 506 CZ3 TRP A 63 0.493 57.172 12.094 1.00 11.09 C ATOM 507 CH2 TRP A 63 0.203 55.800 12.095 1.00 10.60 C ATOM 508 N CYS A 64 -4.178 62.255 10.083 1.00 7.80 N ATOM 509 CA CYS A 64 -4.261 63.653 9.753 1.00 8.49 C ATOM 510 C CYS A 64 -5.545 64.173 10.309 1.00 7.50 C ATOM 511 O CYS A 64 -6.469 63.410 10.622 1.00 7.59 O ATOM 512 CB CYS A 64 -4.195 63.836 8.244 1.00 8.55 C ATOM 513 SG CYS A 64 -5.519 63.016 7.403 1.00 9.70 S ATOM 514 N ASN A 65 -5.617 65.480 10.438 1.00 8.38 N ATOM 515 CA ASN A 65 -6.852 66.025 10.940 1.00 9.10 C ATOM 516 C ASN A 65 -7.721 66.552 9.843 1.00 7.37 C ATOM 517 O ASN A 65 -7.309 67.424 9.067 1.00 8.64 O ATOM 518 CB ASN A 65 -6.642 67.136 11.941 1.00 10.37 C ATOM 519 CG ASN A 65 -7.969 67.679 12.394 1.00 11.25 C ATOM 520 OD1 ASN A 65 -8.782 66.928 12.916 1.00 12.56 O ATOM 521 ND2 ASN A 65 -8.242 68.938 12.091 1.00 13.53 N ATOM 522 N ASP A 66 -8.931 66.046 9.763 1.00 8.37 N ATOM 523 CA ASP A 66 -9.851 66.644 8.817 1.00 8.16 C ATOM 524 C ASP A 66 -11.022 67.269 9.521 1.00 9.74 C ATOM 525 O ASP A 66 -11.914 67.774 8.883 1.00 11.32 O ATOM 526 CB ASP A 66 -10.296 65.637 7.753 1.00 8.38 C ATOM 527 CG ASP A 66 -11.114 64.493 8.327 1.00 9.45 C ATOM 528 OD1 ASP A 66 -11.488 64.530 9.517 1.00 9.82 O ATOM 529 OD2 ASP A 66 -11.382 63.545 7.570 1.00 10.36 O ATOM 530 N GLY A 67 -10.968 67.282 10.848 1.00 9.97 N ATOM 531 CA GLY A 67 -11.971 67.946 11.633 1.00 10.27 C ATOM 532 C GLY A 67 -13.316 67.280 11.650 1.00 11.17 C ATOM 533 O GLY A 67 -14.256 67.831 12.187 1.00 12.09 O ATOM 534 N ARG A 68 -13.434 66.105 11.051 1.00 9.71 N ATOM 535 CA ARG A 68 -14.725 65.447 10.997 1.00 10.66 C ATOM 536 C ARG A 68 -14.592 63.958 11.234 1.00 11.89 C ATOM 537 O ARG A 68 -15.397 63.175 10.767 1.00 14.11 O ATOM 538 CB ARG A 68 -15.388 65.679 9.657 1.00 11.80 C ATOM 539 CG ARG A 68 -14.671 65.013 8.544 1.00 12.45 C ATOM 540 CD ARG A 68 -15.549 65.078 7.325 1.00 11.34 C ATOM 541 NE ARG A 68 -15.106 64.152 6.319 1.00 10.83 N ATOM 542 CZ ARG A 68 -15.542 64.187 5.061 1.00 12.23 C ATOM 543 NH1 ARG A 68 -16.427 65.104 4.707 1.00 12.29 N ATOM 544 NH2 ARG A 68 -15.103 63.308 4.172 1.00 9.95 N ATOM 545 N THR A 69 -13.545 63.557 11.925 1.00 11.67 N ATOM 546 CA THR A 69 -13.400 62.155 12.234 1.00 11.86 C ATOM 547 C THR A 69 -13.347 62.022 13.748 1.00 12.65 C ATOM 548 O THR A 69 -12.282 62.002 14.323 1.00 11.83 O ATOM 549 CB THR A 69 -12.125 61.597 11.623 1.00 12.17 C ATOM 550 OG1 THR A 69 -12.081 62.009 10.241 1.00 10.47 O ATOM 551 CG2 THR A 69 -12.117 60.069 11.725 1.00 12.61 C ATOM 552 N PRO A 70 -14.514 61.984 14.379 1.00 15.15 N ATOM 553 CA PRO A 70 -14.490 61.954 15.845 1.00 16.28 C ATOM 554 C PRO A 70 -13.586 60.898 16.405 1.00 17.99 C ATOM 555 O PRO A 70 -13.540 59.750 15.928 1.00 20.02 O ATOM 556 CB PRO A 70 -15.964 61.723 16.208 1.00 16.93 C ATOM 557 CG PRO A 70 -16.673 62.460 15.112 1.00 15.79 C ATOM 558 CD PRO A 70 -15.890 62.040 13.879 1.00 15.90 C ATOM 559 N GLY A 71 -12.818 61.310 17.399 1.00 18.86 N ATOM 560 CA GLY A 71 -12.029 60.383 18.180 1.00 20.79 C ATOM 561 C GLY A 71 -10.777 60.057 17.435 1.00 21.62 C ATOM 562 O GLY A 71 -9.949 59.260 17.894 1.00 23.51 O ATOM 563 N SER A 72 -10.630 60.673 16.264 1.00 22.19 N ATOM 564 CA SER A 72 -9.480 60.405 15.458 1.00 21.66 C ATOM 565 C SER A 72 -8.258 61.027 16.089 1.00 21.50 C ATOM 566 O SER A 72 -8.329 61.941 16.932 1.00 21.95 O ATOM 567 CB SER A 72 -9.648 60.930 14.037 1.00 20.80 C ATOM 568 OG SER A 72 -9.599 62.349 14.000 1.00 19.04 O ATOM 569 N ARG A 73 -7.123 60.508 15.673 1.00 19.81 N ATOM 570 CA ARG A 73 -5.882 61.117 16.008 1.00 18.68 C ATOM 571 C ARG A 73 -5.442 61.844 14.748 1.00 17.03 C ATOM 572 O ARG A 73 -6.125 61.824 13.694 1.00 17.83 O ATOM 573 CB ARG A 73 -4.855 60.060 16.461 1.00 20.74 C ATOM 574 CG ARG A 73 -5.242 59.303 17.749 1.00 23.84 C ATOM 575 CD ARG A 73 -4.557 59.861 19.013 1.00 26.70 C ATOM 576 NE ARG A 73 -3.315 59.135 19.325 1.00 29.35 N ATOM 577 CZ ARG A 73 -2.232 59.702 19.854 1.00 30.60 C ATOM 578 NH1 ARG A 73 -2.229 61.004 20.115 1.00 32.29 N ATOM 579 NH2 ARG A 73 -1.137 58.987 20.091 1.00 31.15 N ATOM 580 N ASN A 74 -4.310 62.493 14.876 1.00 12.97 N ATOM 581 CA ASN A 74 -3.734 63.299 13.821 1.00 11.61 C ATOM 582 C ASN A 74 -2.258 63.130 14.049 1.00 10.82 C ATOM 583 O ASN A 74 -1.558 64.073 14.391 1.00 11.91 O ATOM 584 CB ASN A 74 -4.091 64.770 14.016 1.00 10.11 C ATOM 585 CG ASN A 74 -3.419 65.666 12.991 1.00 9.23 C ATOM 586 OD1 ASN A 74 -2.760 65.179 12.063 1.00 8.91 O ATOM 587 ND2 ASN A 74 -3.569 66.981 13.158 1.00 9.05 N ATOM 588 N LEU A 75 -1.816 61.893 13.887 1.00 11.19 N ATOM 589 CA LEU A 75 -0.479 61.503 14.277 1.00 12.40 C ATOM 590 C LEU A 75 0.582 62.086 13.372 1.00 12.38 C ATOM 591 O LEU A 75 1.736 62.194 13.756 1.00 11.01 O ATOM 592 CB LEU A 75 -0.371 59.987 14.359 1.00 14.12 C ATOM 593 CG LEU A 75 -1.239 59.466 15.506 1.00 16.29 C ATOM 594 CD1 LEU A 75 -1.212 57.973 15.530 1.00 16.81 C ATOM 595 CD2 LEU A 75 -0.743 60.078 16.797 1.00 16.65 C ATOM 596 N CYS A 76 0.194 62.462 12.159 1.00 10.72 N ATOM 597 CA CYS A 76 1.135 63.133 11.279 1.00 12.68 C ATOM 598 C CYS A 76 1.141 64.626 11.506 1.00 12.28 C ATOM 599 O CYS A 76 1.944 65.353 10.897 1.00 12.91 O ATOM 600 CB CYS A 76 0.847 62.793 9.817 1.00 10.33 C ATOM 601 SG CYS A 76 1.195 61.113 9.558 1.00 12.11 S ATOM 602 N ASN A 77 0.272 65.064 12.420 1.00 14.01 N ATOM 603 CA ASN A 77 0.115 66.467 12.743 1.00 14.96 C ATOM 604 C ASN A 77 -0.011 67.335 11.513 1.00 13.17 C ATOM 605 O ASN A 77 0.741 68.267 11.315 1.00 12.53 O ATOM 606 CB ASN A 77 1.284 66.943 13.584 1.00 18.23 C ATOM 607 CG ASN A 77 1.188 66.437 14.986 1.00 21.12 C ATOM 608 OD1 ASN A 77 0.419 66.966 15.794 1.00 24.22 O ATOM 609 ND2 ASN A 77 1.935 65.389 15.281 1.00 21.83 N ATOM 610 N ILE A 78 -0.978 67.002 10.684 1.00 12.45 N ATOM 611 CA ILE A 78 -1.213 67.766 9.498 1.00 11.16 C ATOM 612 C ILE A 78 -2.689 67.769 9.264 1.00 11.50 C ATOM 613 O ILE A 78 -3.404 66.821 9.648 1.00 11.26 O ATOM 614 CB ILE A 78 -0.571 67.101 8.261 1.00 11.67 C ATOM 615 CG1 ILE A 78 -0.915 65.614 8.265 1.00 10.76 C ATOM 616 CG2 ILE A 78 0.924 67.441 8.197 1.00 12.19 C ATOM 617 CD1 ILE A 78 -0.605 64.878 7.022 1.00 12.89 C ATOM 618 N PRO A 79 -3.169 68.821 8.622 1.00 10.34 N ATOM 619 CA PRO A 79 -4.529 68.675 8.119 1.00 8.87 C ATOM 620 C PRO A 79 -4.527 67.657 7.011 1.00 8.24 C ATOM 621 O PRO A 79 -3.583 67.562 6.222 1.00 7.55 O ATOM 622 CB PRO A 79 -4.850 70.042 7.521 1.00 9.54 C ATOM 623 CG PRO A 79 -3.541 70.736 7.369 1.00 11.37 C ATOM 624 CD PRO A 79 -2.566 70.137 8.323 1.00 10.68 C ATOM 625 N CYS A 80 -5.572 66.875 6.957 1.00 9.54 N ATOM 626 CA CYS A 80 -5.650 65.907 5.889 1.00 7.91 C ATOM 627 C CYS A 80 -5.549 66.591 4.552 1.00 8.82 C ATOM 628 O CYS A 80 -5.011 66.019 3.626 1.00 7.59 O ATOM 629 CB CYS A 80 -6.965 65.188 5.990 1.00 7.77 C ATOM 630 SG CYS A 80 -7.073 64.291 7.514 1.00 8.40 S ATOM 631 N SER A 81 -6.079 67.806 4.447 1.00 9.02 N ATOM 632 CA SER A 81 -5.946 68.547 3.196 1.00 9.10 C ATOM 633 C SER A 81 -4.501 68.616 2.678 1.00 10.74 C ATOM 634 O SER A 81 -4.267 68.606 1.468 1.00 10.55 O ATOM 635 CB SER A 81 -6.529 69.943 3.336 1.00 10.51 C ATOM 636 OG SER A 81 -5.725 70.721 4.210 1.00 12.19 O ATOM 637 N ALA A 82 -3.531 68.679 3.586 1.00 10.01 N ATOM 638 CA ALA A 82 -2.127 68.779 3.188 1.00 10.83 C ATOM 639 C ALA A 82 -1.739 67.531 2.441 1.00 11.61 C ATOM 640 O ALA A 82 -0.738 67.508 1.705 1.00 12.94 O ATOM 641 CB ALA A 82 -1.230 68.974 4.417 1.00 12.65 C ATOM 642 N LEU A 83 -2.537 66.486 2.634 1.00 9.78 N ATOM 643 CA LEU A 83 -2.225 65.200 2.042 1.00 10.65 C ATOM 644 C LEU A 83 -2.726 65.142 0.610 1.00 9.30 C ATOM 645 O LEU A 83 -2.571 64.121 -0.069 1.00 11.75 O ATOM 646 CB LEU A 83 -2.829 64.071 2.867 1.00 11.65 C ATOM 647 CG LEU A 83 -2.221 63.985 4.260 1.00 12.49 C ATOM 648 CD1 LEU A 83 -2.943 62.946 5.107 1.00 13.70 C ATOM 649 CD2 LEU A 83 -0.733 63.642 4.096 1.00 13.47 C ATOM 650 N LEU A 84 -3.341 66.223 0.151 1.00 10.12 N ATOM 651 CA LEU A 84 -3.882 66.235 -1.192 1.00 9.02 C ATOM 652 C LEU A 84 -3.071 67.116 -2.069 1.00 11.94 C ATOM 653 O LEU A 84 -3.443 67.365 -3.221 1.00 11.43 O ATOM 654 CB LEU A 84 -5.332 66.727 -1.205 1.00 9.46 C ATOM 655 CG LEU A 84 -6.262 65.937 -0.297 1.00 10.21 C ATOM 656 CD1 LEU A 84 -7.660 66.514 -0.381 1.00 9.93 C ATOM 657 CD2 LEU A 84 -6.257 64.478 -0.727 1.00 9.84 C ATOM 658 N SER A 85 -1.952 67.582 -1.537 1.00 12.54 N ATOM 659 CA SER A 85 -1.109 68.506 -2.252 1.00 12.46 C ATOM 660 C SER A 85 -0.498 67.912 -3.527 1.00 12.26 C ATOM 661 O SER A 85 -0.198 66.727 -3.593 1.00 10.00 O ATOM 662 CB SER A 85 0.035 68.958 -1.367 1.00 14.70 C ATOM 663 OG SER A 85 0.956 69.640 -2.219 1.00 18.60 O ATOM 664 N SER A 86 -0.248 68.741 -4.533 1.00 13.19 N ATOM 665 CA SER A 86 0.452 68.190 -5.694 1.00 14.13 C ATOM 666 C SER A 86 1.870 67.783 -5.295 1.00 13.93 C ATOM 667 O SER A 86 2.488 66.877 -5.880 1.00 14.17 O ATOM 668 CB SER A 86 0.471 69.199 -6.837 1.00 15.82 C ATOM 669 OG SER A 86 0.781 70.489 -6.335 1.00 20.22 O ATOM 670 N ASP A 87 2.395 68.485 -4.306 1.00 12.42 N ATOM 671 CA ASP A 87 3.687 68.185 -3.736 1.00 13.05 C ATOM 672 C ASP A 87 3.480 67.103 -2.686 1.00 12.32 C ATOM 673 O ASP A 87 2.683 67.267 -1.772 1.00 11.94 O ATOM 674 CB ASP A 87 4.234 69.440 -3.097 1.00 16.09 C ATOM 675 CG ASP A 87 5.587 69.242 -2.489 1.00 18.71 C ATOM 676 OD1 ASP A 87 5.866 68.148 -1.942 1.00 17.55 O ATOM 677 OD2 ASP A 87 6.371 70.220 -2.532 1.00 21.20 O ATOM 678 N ILE A 88 4.192 65.996 -2.832 1.00 11.66 N ATOM 679 CA ILE A 88 3.857 64.825 -2.029 1.00 10.18 C ATOM 680 C ILE A 88 4.535 64.796 -0.687 1.00 11.24 C ATOM 681 O ILE A 88 4.351 63.863 0.066 1.00 10.70 O ATOM 682 CB ILE A 88 4.104 63.522 -2.794 1.00 9.65 C ATOM 683 CG1 ILE A 88 5.616 63.297 -3.013 1.00 9.90 C ATOM 684 CG2 ILE A 88 3.274 63.544 -4.086 1.00 8.85 C ATOM 685 CD1 ILE A 88 5.958 61.942 -3.616 1.00 9.89 C ATOM 686 N THR A 89 5.278 65.849 -0.372 1.00 10.59 N ATOM 687 CA THR A 89 6.050 65.864 0.880 1.00 11.23 C ATOM 688 C THR A 89 5.223 65.435 2.083 1.00 10.66 C ATOM 689 O THR A 89 5.645 64.550 2.817 1.00 9.16 O ATOM 690 CB THR A 89 6.684 67.220 1.137 1.00 11.45 C ATOM 691 OG1 THR A 89 7.488 67.568 0.013 1.00 11.94 O ATOM 692 CG2 THR A 89 7.558 67.193 2.387 1.00 11.79 C ATOM 693 N ALA A 90 4.061 66.052 2.287 1.00 10.60 N ATOM 694 CA ALA A 90 3.244 65.744 3.464 1.00 9.43 C ATOM 695 C ALA A 90 2.844 64.293 3.457 1.00 9.40 C ATOM 696 O ALA A 90 2.948 63.605 4.476 1.00 9.59 O ATOM 697 CB ALA A 90 2.004 66.626 3.520 1.00 9.35 C ATOM 698 N SER A 91 2.389 63.813 2.305 1.00 9.11 N ATOM 699 CA SER A 91 1.974 62.428 2.226 1.00 9.03 C ATOM 700 C SER A 91 3.132 61.503 2.529 1.00 7.87 C ATOM 701 O SER A 91 2.947 60.491 3.183 1.00 9.18 O ATOM 702 CB SER A 91 1.370 62.109 0.861 1.00 8.64 C ATOM 703 OG SER A 91 0.092 62.699 0.844 1.00 7.32 O ATOM 704 N VAL A 92 4.316 61.850 2.039 1.00 8.65 N ATOM 705 CA VAL A 92 5.454 61.000 2.235 1.00 9.72 C ATOM 706 C VAL A 92 5.822 60.981 3.712 1.00 10.24 C ATOM 707 O VAL A 92 6.017 59.912 4.289 1.00 9.77 O ATOM 708 CB VAL A 92 6.651 61.438 1.389 1.00 10.10 C ATOM 709 CG1 VAL A 92 7.903 60.692 1.843 1.00 10.68 C ATOM 710 CG2 VAL A 92 6.354 61.168 -0.091 1.00 11.57 C ATOM 711 N ASN A 93 5.907 62.163 4.303 1.00 10.55 N ATOM 712 CA ASN A 93 6.347 62.284 5.682 1.00 11.54 C ATOM 713 C ASN A 93 5.371 61.526 6.542 1.00 10.89 C ATOM 714 O ASN A 93 5.742 60.841 7.490 1.00 10.26 O ATOM 715 CB ASN A 93 6.355 63.743 6.117 1.00 14.46 C ATOM 716 CG ASN A 93 7.460 64.516 5.479 1.00 16.03 C ATOM 717 OD1 ASN A 93 8.320 63.934 4.833 1.00 18.30 O ATOM 718 ND2 ASN A 93 7.438 65.844 5.633 1.00 18.16 N ATOM 719 N CYS A 94 4.112 61.663 6.188 1.00 9.68 N ATOM 720 CA CYS A 94 3.101 60.951 6.923 1.00 10.35 C ATOM 721 C CYS A 94 3.176 59.448 6.663 1.00 9.80 C ATOM 722 O CYS A 94 3.094 58.658 7.577 1.00 7.94 O ATOM 723 CB CYS A 94 1.720 61.506 6.617 1.00 10.79 C ATOM 724 SG CYS A 94 0.498 60.789 7.671 1.00 10.01 S ATOM 725 N ALA A 95 3.354 59.057 5.401 1.00 9.18 N ATOM 726 CA ALA A 95 3.514 57.646 5.079 1.00 8.78 C ATOM 727 C ALA A 95 4.705 57.045 5.828 1.00 8.12 C ATOM 728 O ALA A 95 4.688 55.898 6.240 1.00 8.32 O ATOM 729 CB ALA A 95 3.703 57.470 3.605 1.00 8.59 C ATOM 730 N LYS A 96 5.745 57.842 5.978 1.00 8.70 N ATOM 731 CA LYS A 96 6.930 57.397 6.693 1.00 9.37 C ATOM 732 C LYS A 96 6.551 57.029 8.113 1.00 10.56 C ATOM 733 O LYS A 96 6.940 55.976 8.599 1.00 11.47 O ATOM 734 CB LYS A 96 8.016 58.466 6.636 1.00 10.35 C ATOM 735 CG LYS A 96 8.677 58.572 5.251 1.00 10.79 C ATOM 736 CD LYS A 96 9.738 59.657 5.289 1.00 11.30 C ATOM 737 CE LYS A 96 10.560 59.642 4.019 1.00 11.36 C ATOM 738 NZ LYS A 96 11.595 60.694 4.046 1.00 12.10 N ATOM 739 N LYS A 97 5.761 57.888 8.753 1.00 11.82 N ATOM 740 CA LYS A 97 5.269 57.622 10.096 1.00 11.91 C ATOM 741 C LYS A 97 4.391 56.388 10.105 1.00 11.66 C ATOM 742 O LYS A 97 4.530 55.509 10.965 1.00 10.09 O ATOM 743 CB LYS A 97 4.468 58.809 10.588 1.00 14.85 C ATOM 744 CG LYS A 97 5.260 60.051 10.729 1.00 17.50 C ATOM 745 CD LYS A 97 4.427 61.121 11.428 1.00 19.70 C ATOM 746 CE LYS A 97 5.299 62.326 11.731 1.00 21.41 C ATOM 747 NZ LYS A 97 5.803 62.916 10.476 1.00 23.73 N ATOM 748 N ILE A 98 3.523 56.286 9.098 1.00 10.64 N ATOM 749 CA ILE A 98 2.568 55.221 9.079 1.00 9.65 C ATOM 750 C ILE A 98 3.302 53.908 8.935 1.00 9.58 C ATOM 751 O ILE A 98 3.026 52.956 9.651 1.00 8.72 O ATOM 752 CB ILE A 98 1.563 55.375 7.944 1.00 9.78 C ATOM 753 CG1 ILE A 98 0.664 56.592 8.191 1.00 9.07 C ATOM 754 CG2 ILE A 98 0.679 54.139 7.846 1.00 8.07 C ATOM 755 CD1 ILE A 98 -0.069 57.055 6.904 1.00 8.99 C ATOM 756 N VAL A 99 4.252 53.861 7.998 1.00 9.09 N ATOM 757 CA VAL A 99 4.913 52.608 7.721 1.00 10.37 C ATOM 758 C VAL A 99 5.866 52.240 8.846 1.00 11.89 C ATOM 759 O VAL A 99 6.338 51.119 8.908 1.00 12.32 O ATOM 760 CB VAL A 99 5.652 52.658 6.386 1.00 8.79 C ATOM 761 CG1 VAL A 99 6.862 53.600 6.448 1.00 9.01 C ATOM 762 CG2 VAL A 99 6.065 51.267 5.950 1.00 11.64 C ATOM 763 N SER A 100 6.137 53.199 9.725 1.00 12.93 N ATOM 764 CA SER A 100 6.942 52.937 10.888 1.00 14.96 C ATOM 765 C SER A 100 6.093 52.491 12.068 1.00 16.48 C ATOM 766 O SER A 100 6.628 52.165 13.126 1.00 15.93 O ATOM 767 CB SER A 100 7.735 54.180 11.245 1.00 15.89 C ATOM 768 OG SER A 100 8.475 54.596 10.126 1.00 17.73 O ATOM 769 N ASP A 101 4.779 52.468 11.874 1.00 18.01 N ATOM 770 CA ASP A 101 3.803 52.262 12.955 1.00 20.58 C ATOM 771 C ASP A 101 3.816 50.834 13.469 1.00 20.43 C ATOM 772 O ASP A 101 3.162 50.516 14.468 1.00 22.13 O ATOM 773 CB ASP A 101 2.393 52.607 12.474 1.00 22.67 C ATOM 774 CG ASP A 101 1.393 52.698 13.609 1.00 24.39 C ATOM 775 OD1 ASP A 101 1.739 53.308 14.635 1.00 25.36 O ATOM 776 OD2 ASP A 101 0.267 52.166 13.473 1.00 25.91 O ATOM 777 N GLY A 102 4.531 49.962 12.773 1.00 19.64 N ATOM 778 CA GLY A 102 4.706 48.607 13.271 1.00 18.06 C ATOM 779 C GLY A 102 4.186 47.524 12.349 1.00 16.73 C ATOM 780 O GLY A 102 4.642 46.394 12.426 1.00 17.34 O ATOM 781 N ASN A 103 3.241 47.851 11.471 1.00 15.13 N ATOM 782 CA ASN A 103 2.787 46.838 10.528 1.00 14.47 C ATOM 783 C ASN A 103 3.287 47.103 9.142 1.00 13.12 C ATOM 784 O ASN A 103 2.855 46.451 8.212 1.00 12.62 O ATOM 785 CB ASN A 103 1.286 46.708 10.526 1.00 16.87 C ATOM 786 CG ASN A 103 0.772 46.241 11.856 1.00 18.58 C ATOM 787 OD1 ASN A 103 1.207 45.214 12.371 1.00 19.44 O ATOM 788 ND2 ASN A 103 -0.113 47.027 12.452 1.00 20.29 N ATOM 789 N GLY A 104 4.229 48.023 9.027 1.00 10.89 N ATOM 790 CA GLY A 104 4.863 48.245 7.750 1.00 9.33 C ATOM 791 C GLY A 104 3.780 48.665 6.789 1.00 8.00 C ATOM 792 O GLY A 104 2.819 49.317 7.175 1.00 8.76 O ATOM 793 N MET A 105 3.918 48.284 5.527 1.00 8.40 N ATOM 794 CA MET A 105 2.987 48.798 4.548 1.00 7.66 C ATOM 795 C MET A 105 1.641 48.109 4.581 1.00 6.87 C ATOM 796 O MET A 105 0.728 48.503 3.870 1.00 7.01 O ATOM 797 CB MET A 105 3.595 48.751 3.169 1.00 7.28 C ATOM 798 CG MET A 105 4.741 49.712 3.045 1.00 7.29 C ATOM 799 SD MET A 105 5.118 49.913 1.291 1.00 9.62 S ATOM 800 CE MET A 105 3.615 50.755 0.750 1.00 9.55 C ATOM 801 N ASN A 106 1.491 47.105 5.440 1.00 8.10 N ATOM 802 CA ASN A 106 0.177 46.509 5.602 1.00 7.96 C ATOM 803 C ASN A 106 -0.875 47.516 6.054 1.00 9.06 C ATOM 804 O ASN A 106 -2.057 47.269 5.885 1.00 10.99 O ATOM 805 CB ASN A 106 0.204 45.325 6.557 1.00 9.10 C ATOM 806 CG ASN A 106 1.089 44.232 6.077 1.00 9.94 C ATOM 807 OD1 ASN A 106 0.787 43.567 5.096 1.00 11.93 O ATOM 808 ND2 ASN A 106 2.196 44.043 6.749 1.00 11.66 N ATOM 809 N ALA A 107 -0.423 48.658 6.559 1.00 8.11 N ATOM 810 CA ALA A 107 -1.287 49.771 6.928 1.00 8.33 C ATOM 811 C ALA A 107 -2.122 50.208 5.749 1.00 9.16 C ATOM 812 O ALA A 107 -3.232 50.706 5.894 1.00 9.16 O ATOM 813 CB ALA A 107 -0.460 50.914 7.449 1.00 8.16 C ATOM 814 N TRP A 108 -1.565 49.999 4.569 1.00 8.96 N ATOM 815 CA TRP A 108 -2.260 50.267 3.339 1.00 10.24 C ATOM 816 C TRP A 108 -2.875 49.010 2.846 1.00 9.78 C ATOM 817 O TRP A 108 -2.203 48.141 2.299 1.00 8.38 O ATOM 818 CB TRP A 108 -1.297 50.793 2.299 1.00 8.39 C ATOM 819 CG TRP A 108 -0.888 52.147 2.578 1.00 8.95 C ATOM 820 CD1 TRP A 108 -1.571 53.282 2.259 1.00 8.95 C ATOM 821 CD2 TRP A 108 0.272 52.563 3.298 1.00 6.91 C ATOM 822 NE1 TRP A 108 -0.891 54.374 2.693 1.00 7.56 N ATOM 823 CE2 TRP A 108 0.242 53.973 3.343 1.00 9.03 C ATOM 824 CE3 TRP A 108 1.342 51.885 3.902 1.00 7.70 C ATOM 825 CZ2 TRP A 108 1.262 54.746 3.943 1.00 8.62 C ATOM 826 CZ3 TRP A 108 2.361 52.652 4.510 1.00 7.84 C ATOM 827 CH2 TRP A 108 2.303 54.070 4.533 1.00 8.87 C ATOM 828 N VAL A 109 -4.169 48.924 3.087 1.00 11.89 N ATOM 829 CA VAL A 109 -4.962 47.778 2.693 1.00 14.14 C ATOM 830 C VAL A 109 -4.696 47.404 1.254 1.00 12.22 C ATOM 831 O VAL A 109 -4.411 46.247 1.001 1.00 13.56 O ATOM 832 CB VAL A 109 -6.438 48.066 2.892 1.00 15.27 C ATOM 833 CG1 VAL A 109 -7.302 47.072 2.126 1.00 17.70 C ATOM 834 CG2 VAL A 109 -6.762 48.024 4.391 1.00 19.06 C ATOM 835 N ALA A 110 -4.753 48.378 0.348 1.00 12.47 N ATOM 836 CA ALA A 110 -4.529 48.102 -1.092 1.00 10.74 C ATOM 837 C ALA A 110 -3.143 47.553 -1.304 1.00 9.87 C ATOM 838 O ALA A 110 -2.936 46.663 -2.128 1.00 9.26 O ATOM 839 CB ALA A 110 -4.745 49.329 -1.941 1.00 10.64 C ATOM 840 N TRP A 111 -2.170 48.076 -0.578 1.00 9.47 N ATOM 841 CA TRP A 111 -0.842 47.521 -0.710 1.00 8.56 C ATOM 842 C TRP A 111 -0.829 46.065 -0.272 1.00 9.00 C ATOM 843 O TRP A 111 -0.275 45.200 -0.942 1.00 8.03 O ATOM 844 CB TRP A 111 0.192 48.329 0.082 1.00 8.69 C ATOM 845 CG TRP A 111 1.531 47.687 -0.007 1.00 8.97 C ATOM 846 CD1 TRP A 111 2.458 47.907 -0.951 1.00 8.76 C ATOM 847 CD2 TRP A 111 2.076 46.692 0.869 1.00 8.26 C ATOM 848 NE1 TRP A 111 3.557 47.141 -0.724 1.00 8.41 N ATOM 849 CE2 TRP A 111 3.354 46.385 0.394 1.00 8.63 C ATOM 850 CE3 TRP A 111 1.612 46.052 2.013 1.00 7.51 C ATOM 851 CZ2 TRP A 111 4.174 45.448 1.000 1.00 8.18 C ATOM 852 CZ3 TRP A 111 2.439 45.137 2.640 1.00 8.06 C ATOM 853 CH2 TRP A 111 3.708 44.848 2.137 1.00 8.82 C ATOM 854 N ARG A 112 -1.459 45.758 0.845 1.00 8.52 N ATOM 855 CA ARG A 112 -1.422 44.376 1.284 1.00 11.00 C ATOM 856 C ARG A 112 -2.091 43.492 0.254 1.00 10.31 C ATOM 857 O ARG A 112 -1.601 42.431 -0.097 1.00 10.55 O ATOM 858 CB ARG A 112 -2.163 44.203 2.602 1.00 13.35 C ATOM 859 CG ARG A 112 -1.953 42.800 3.184 1.00 17.50 C ATOM 860 CD ARG A 112 -2.865 42.572 4.384 1.00 22.28 C ATOM 861 NE ARG A 112 -3.184 43.860 4.971 1.00 26.59 N ATOM 862 CZ ARG A 112 -4.403 44.384 5.078 1.00 28.27 C ATOM 863 NH1 ARG A 112 -5.483 43.719 4.650 1.00 29.05 N ATOM 864 NH2 ARG A 112 -4.530 45.594 5.631 1.00 29.21 N ATOM 865 N ASN A 113 -3.216 43.966 -0.245 1.00 10.94 N ATOM 866 CA ASN A 113 -4.052 43.130 -1.080 1.00 10.51 C ATOM 867 C ASN A 113 -3.617 43.135 -2.504 1.00 10.78 C ATOM 868 O ASN A 113 -3.904 42.204 -3.237 1.00 11.21 O ATOM 869 CB ASN A 113 -5.487 43.596 -1.016 1.00 11.65 C ATOM 870 CG ASN A 113 -6.094 43.298 0.304 1.00 11.75 C ATOM 871 OD1 ASN A 113 -5.692 42.338 0.946 1.00 14.32 O ATOM 872 ND2 ASN A 113 -7.036 44.127 0.740 1.00 12.84 N ATOM 873 N ARG A 114 -2.906 44.173 -2.901 1.00 10.76 N ATOM 874 CA ARG A 114 -2.618 44.287 -4.319 1.00 10.21 C ATOM 875 C ARG A 114 -1.158 44.407 -4.684 1.00 9.69 C ATOM 876 O ARG A 114 -0.809 44.235 -5.841 1.00 9.98 O ATOM 877 CB ARG A 114 -3.442 45.423 -4.912 1.00 9.19 C ATOM 878 CG ARG A 114 -4.906 45.261 -4.599 1.00 9.10 C ATOM 879 CD ARG A 114 -5.685 46.431 -5.066 1.00 9.58 C ATOM 880 NE ARG A 114 -5.769 46.446 -6.527 1.00 9.37 N ATOM 881 CZ ARG A 114 -6.530 47.290 -7.210 1.00 9.90 C ATOM 882 NH1 ARG A 114 -7.293 48.164 -6.574 1.00 11.07 N ATOM 883 NH2 ARG A 114 -6.561 47.217 -8.546 1.00 10.13 N ATOM 884 N CYS A 115 -0.290 44.651 -3.706 1.00 9.80 N ATOM 885 CA CYS A 115 1.096 44.948 -4.011 1.00 8.31 C ATOM 886 C CYS A 115 1.993 43.984 -3.312 1.00 9.26 C ATOM 887 O CYS A 115 2.999 43.530 -3.851 1.00 9.80 O ATOM 888 CB CYS A 115 1.456 46.342 -3.517 1.00 7.91 C ATOM 889 SG CYS A 115 0.589 47.606 -4.320 1.00 9.09 S ATOM 890 N LYS A 116 1.642 43.711 -2.059 1.00 7.87 N ATOM 891 CA LYS A 116 2.448 42.845 -1.268 1.00 9.85 C ATOM 892 C LYS A 116 2.682 41.551 -2.012 1.00 10.21 C ATOM 893 O LYS A 116 1.739 40.919 -2.475 1.00 11.95 O ATOM 894 CB LYS A 116 1.723 42.571 0.028 1.00 9.24 C ATOM 895 CG LYS A 116 2.556 41.809 1.055 1.00 9.61 C ATOM 896 CD LYS A 116 1.751 41.763 2.342 1.00 9.24 C ATOM 897 CE LYS A 116 2.529 41.102 3.454 1.00 11.52 C ATOM 898 NZ LYS A 116 1.654 41.022 4.664 1.00 11.46 N ATOM 899 N GLY A 117 3.942 41.158 -2.099 1.00 10.21 N ATOM 900 CA GLY A 117 4.281 39.842 -2.617 1.00 11.74 C ATOM 901 C GLY A 117 4.368 39.832 -4.135 1.00 12.29 C ATOM 902 O GLY A 117 4.852 38.871 -4.727 1.00 15.26 O ATOM 903 N THR A 118 3.882 40.896 -4.758 1.00 10.99 N ATOM 904 CA THR A 118 3.903 41.005 -6.205 1.00 11.76 C ATOM 905 C THR A 118 5.217 41.545 -6.687 1.00 12.12 C ATOM 906 O THR A 118 6.067 42.010 -5.898 1.00 10.17 O ATOM 907 CB THR A 118 2.738 41.894 -6.729 1.00 10.82 C ATOM 908 OG1 THR A 118 3.019 43.285 -6.495 1.00 9.59 O ATOM 909 CG2 THR A 118 1.458 41.492 -6.027 1.00 10.63 C ATOM 910 N ASP A 119 5.400 41.468 -8.001 1.00 11.47 N ATOM 911 CA ASP A 119 6.564 42.079 -8.606 1.00 13.53 C ATOM 912 C ASP A 119 6.410 43.588 -8.588 1.00 12.18 C ATOM 913 O ASP A 119 6.050 44.194 -9.594 1.00 12.84 O ATOM 914 CB ASP A 119 6.682 41.616 -10.049 1.00 14.80 C ATOM 915 CG ASP A 119 7.836 42.271 -10.766 1.00 16.45 C ATOM 916 OD1 ASP A 119 8.774 42.739 -10.093 1.00 17.08 O ATOM 917 OD2 ASP A 119 7.831 42.271 -12.013 1.00 17.80 O ATOM 918 N VAL A 120 6.681 44.215 -7.444 1.00 12.34 N ATOM 919 CA VAL A 120 6.450 45.630 -7.309 1.00 11.92 C ATOM 920 C VAL A 120 7.513 46.405 -8.078 1.00 11.54 C ATOM 921 O VAL A 120 7.338 47.584 -8.350 1.00 11.80 O ATOM 922 CB VAL A 120 6.450 46.066 -5.829 1.00 12.64 C ATOM 923 CG1 VAL A 120 5.233 45.475 -5.125 1.00 11.06 C ATOM 924 CG2 VAL A 120 7.732 45.605 -5.168 1.00 12.43 C ATOM 925 N GLN A 121 8.600 45.742 -8.451 1.00 12.70 N ATOM 926 CA GLN A 121 9.611 46.443 -9.226 1.00 13.84 C ATOM 927 C GLN A 121 9.043 46.910 -10.561 1.00 12.97 C ATOM 928 O GLN A 121 9.521 47.882 -11.137 1.00 12.68 O ATOM 929 CB GLN A 121 10.845 45.570 -9.455 1.00 16.48 C ATOM 930 CG GLN A 121 12.028 46.349 -10.045 1.00 19.82 C ATOM 931 CD GLN A 121 11.924 46.508 -11.563 1.00 21.42 C ATOM 932 OE1 GLN A 121 11.291 45.696 -12.229 1.00 24.03 O ATOM 933 NE2 GLN A 121 12.534 47.558 -12.104 1.00 21.48 N ATOM 934 N ALA A 122 8.032 46.207 -11.055 1.00 12.63 N ATOM 935 CA ALA A 122 7.392 46.596 -12.311 1.00 12.59 C ATOM 936 C ALA A 122 6.954 48.033 -12.249 1.00 12.40 C ATOM 937 O ALA A 122 6.921 48.725 -13.255 1.00 12.85 O ATOM 938 CB ALA A 122 6.211 45.729 -12.613 1.00 13.11 C ATOM 939 N TRP A 123 6.598 48.471 -11.042 1.00 10.97 N ATOM 940 CA TRP A 123 6.140 49.823 -10.845 1.00 11.08 C ATOM 941 C TRP A 123 7.187 50.867 -11.115 1.00 10.50 C ATOM 942 O TRP A 123 6.853 51.990 -11.422 1.00 9.70 O ATOM 943 CB TRP A 123 5.536 49.989 -9.463 1.00 10.88 C ATOM 944 CG TRP A 123 4.298 49.227 -9.448 1.00 10.37 C ATOM 945 CD1 TRP A 123 4.088 48.037 -8.848 1.00 10.95 C ATOM 946 CD2 TRP A 123 3.086 49.562 -10.136 1.00 10.56 C ATOM 947 NE1 TRP A 123 2.807 47.596 -9.102 1.00 9.90 N ATOM 948 CE2 TRP A 123 2.167 48.523 -9.881 1.00 10.63 C ATOM 949 CE3 TRP A 123 2.684 50.642 -10.933 1.00 11.13 C ATOM 950 CZ2 TRP A 123 0.873 48.529 -10.391 1.00 10.40 C ATOM 951 CZ3 TRP A 123 1.384 50.643 -11.454 1.00 10.63 C ATOM 952 CH2 TRP A 123 0.501 49.585 -11.174 1.00 11.20 C ATOM 953 N ILE A 124 8.448 50.492 -11.028 1.00 11.18 N ATOM 954 CA ILE A 124 9.469 51.478 -11.297 1.00 13.18 C ATOM 955 C ILE A 124 10.244 51.091 -12.536 1.00 15.05 C ATOM 956 O ILE A 124 11.259 51.720 -12.878 1.00 14.52 O ATOM 957 CB ILE A 124 10.393 51.668 -10.101 1.00 14.15 C ATOM 958 CG1 ILE A 124 11.145 50.382 -9.769 1.00 15.54 C ATOM 959 CG2 ILE A 124 9.587 52.218 -8.897 1.00 14.39 C ATOM 960 CD1 ILE A 124 12.374 50.629 -8.879 1.00 18.20 C ATOM 961 N ARG A 125 9.755 50.050 -13.201 1.00 15.90 N ATOM 962 CA ARG A 125 10.458 49.522 -14.362 1.00 18.22 C ATOM 963 C ARG A 125 10.552 50.652 -15.361 1.00 15.59 C ATOM 964 O ARG A 125 9.594 51.391 -15.582 1.00 15.80 O ATOM 965 CB ARG A 125 9.721 48.307 -14.949 1.00 20.80 C ATOM 966 CG ARG A 125 8.296 48.601 -15.421 1.00 24.57 C ATOM 967 CD ARG A 125 8.131 48.553 -16.960 1.00 27.39 C ATOM 968 NE ARG A 125 6.782 48.951 -17.383 1.00 29.51 N ATOM 969 CZ ARG A 125 5.719 49.063 -16.579 1.00 30.21 C ATOM 970 NH1 ARG A 125 5.810 48.781 -15.291 1.00 30.91 N ATOM 971 NH2 ARG A 125 4.541 49.452 -17.067 1.00 30.46 N ATOM 972 N GLY A 126 11.730 50.827 -15.936 1.00 17.20 N ATOM 973 CA GLY A 126 11.888 51.861 -16.943 1.00 18.08 C ATOM 974 C GLY A 126 12.074 53.269 -16.415 1.00 18.45 C ATOM 975 O GLY A 126 12.451 54.164 -17.165 1.00 19.75 O ATOM 976 N CYS A 127 11.807 53.493 -15.139 1.00 16.84 N ATOM 977 CA CYS A 127 11.944 54.843 -14.619 1.00 15.65 C ATOM 978 C CYS A 127 13.397 55.232 -14.442 1.00 16.28 C ATOM 979 O CYS A 127 14.198 54.462 -13.923 1.00 14.30 O ATOM 980 CB CYS A 127 11.217 54.988 -13.288 1.00 15.72 C ATOM 981 SG CYS A 127 9.569 54.361 -13.398 1.00 14.41 S ATOM 982 N ARG A 128 13.703 56.438 -14.894 1.00 19.64 N ATOM 983 CA ARG A 128 14.973 57.059 -14.676 1.00 23.45 C ATOM 984 C ARG A 128 14.812 57.557 -13.276 1.00 26.39 C ATOM 985 O ARG A 128 14.089 58.532 -13.060 1.00 28.20 O ATOM 986 CB ARG A 128 15.085 58.243 -15.620 1.00 23.57 C ATOM 987 CG ARG A 128 16.412 58.953 -15.632 1.00 25.13 C ATOM 988 CD ARG A 128 16.596 59.678 -16.962 1.00 26.32 C ATOM 989 NE ARG A 128 15.419 60.448 -17.343 1.00 28.76 N ATOM 990 CZ ARG A 128 15.012 60.659 -18.600 1.00 30.22 C ATOM 991 NH1 ARG A 128 15.676 60.142 -19.634 1.00 31.00 N ATOM 992 NH2 ARG A 128 13.922 61.388 -18.827 1.00 31.02 N ATOM 993 N LEU A 129 15.423 56.891 -12.301 1.00 28.93 N ATOM 994 CA LEU A 129 15.106 57.266 -10.921 1.00 31.26 C ATOM 995 C LEU A 129 16.086 58.251 -10.314 1.00 31.86 C ATOM 996 O LEU A 129 15.827 59.453 -10.341 1.00 33.62 O ATOM 997 CB LEU A 129 14.911 56.045 -10.017 1.00 31.85 C ATOM 998 CG LEU A 129 13.448 55.690 -9.740 1.00 33.18 C ATOM 999 CD1 LEU A 129 12.541 56.855 -10.155 1.00 32.90 C ATOM 1000 CD2 LEU A 129 13.044 54.395 -10.419 1.00 33.49 C ATOM 1001 OXT LEU A 129 17.131 57.887 -9.792 1.00 32.16 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 -10.326 70.814 11.882 1.00 10.89 O HETATM 1004 O HOH A 131 -7.600 46.366 -1.512 1.00 2.00 O HETATM 1005 O HOH A 132 -1.241 71.344 -4.425 1.00 23.14 O HETATM 1006 O HOH A 133 -12.930 65.431 3.908 1.00 8.91 O HETATM 1007 O HOH A 134 -2.208 66.147 -13.009 1.00 17.70 O HETATM 1008 O HOH A 135 -11.547 65.082 13.515 1.00 4.78 O HETATM 1009 O HOH A 136 -7.255 52.788 1.229 1.00 14.85 O HETATM 1010 O HOH A 137 10.833 48.077 -6.344 1.00 4.23 O HETATM 1011 O HOH A 138 3.185 68.316 0.647 1.00 12.75 O HETATM 1012 O HOH A 139 -13.520 62.073 7.530 1.00 8.10 O HETATM 1013 O HOH A 140 -15.927 58.485 -0.545 1.00 19.59 O HETATM 1014 O HOH A 141 -9.042 54.590 0.038 1.00 12.63 O HETATM 1015 O HOH A 142 -7.914 48.721 -3.837 1.00 14.74 O HETATM 1016 O HOH A 143 -0.915 41.368 -2.815 1.00 12.72 O HETATM 1017 O HOH A 144 14.133 49.545 -14.816 1.00 37.15 O HETATM 1018 O HOH A 145 11.584 57.732 -16.644 1.00 20.85 O HETATM 1019 O HOH A 146 -1.609 60.470 0.907 1.00 8.11 O HETATM 1020 O HOH A 147 6.210 49.169 10.582 1.00 21.05 O HETATM 1021 O HOH A 148 -3.146 57.084 -12.906 1.00 16.70 O HETATM 1022 O HOH A 149 -5.686 51.151 4.043 1.00 18.10 O HETATM 1023 O HOH A 150 -7.925 58.557 -7.763 1.00 12.75 O HETATM 1024 O HOH A 151 5.796 59.428 -15.317 1.00 10.49 O HETATM 1025 O HOH A 152 -7.961 49.300 -9.639 1.00 13.35 O HETATM 1026 O HOH A 153 -9.503 63.969 11.571 1.00 9.54 O HETATM 1027 O HOH A 154 -14.782 51.954 4.256 1.00 19.64 O HETATM 1028 O HOH A 155 9.615 43.208 -7.243 1.00 18.78 O HETATM 1029 O HOH A 156 9.205 44.079 -13.380 1.00 48.15 O HETATM 1030 O HOH A 157 5.875 43.669 -1.486 1.00 16.49 O HETATM 1031 O HOH A 158 3.146 43.322 12.727 1.00 32.67 O HETATM 1032 O HOH A 159 1.064 65.519 0.238 1.00 12.19 O HETATM 1033 O HOH A 160 14.015 53.520 6.607 1.00 13.68 O HETATM 1034 O HOH A 161 2.384 44.882 -8.465 1.00 9.12 O HETATM 1035 O HOH A 162 8.831 44.152 -2.554 1.00 21.60 O HETATM 1036 O HOH A 163 9.999 47.844 8.640 1.00 27.56 O HETATM 1037 O HOH A 164 14.229 57.219 -1.686 1.00 24.86 O HETATM 1038 O HOH A 165 -3.905 55.317 6.528 1.00 11.19 O HETATM 1039 O HOH A 166 -18.328 66.740 5.812 1.00 17.64 O HETATM 1040 O HOH A 167 6.313 66.084 -5.197 1.00 13.36 O HETATM 1041 O HOH A 168 11.529 45.598 -5.484 1.00 27.66 O HETATM 1042 O HOH A 169 13.806 52.083 -12.786 1.00 29.30 O HETATM 1043 O HOH A 170 -0.729 58.322 -13.884 1.00 14.08 O HETATM 1044 O HOH A 171 2.976 36.797 -4.286 1.00 27.39 O HETATM 1045 O HOH A 172 2.182 50.407 9.739 1.00 17.04 O HETATM 1046 O HOH A 173 5.674 73.328 -2.833 1.00 38.91 O HETATM 1047 O HOH A 174 -5.813 52.495 -9.224 1.00 16.63 O HETATM 1048 O HOH A 175 7.773 61.362 8.975 1.00 14.60 O HETATM 1049 O HOH A 176 8.468 63.691 -10.024 1.00 16.94 O HETATM 1050 O HOH A 177 0.864 69.668 1.872 1.00 17.78 O HETATM 1051 O HOH A 178 2.766 65.046 6.789 1.00 15.74 O HETATM 1052 O HOH A 179 6.911 42.064 -3.417 1.00 14.83 O HETATM 1053 O HOH A 180 -3.273 71.376 -2.329 1.00 45.39 O HETATM 1054 O HOH A 181 -4.127 70.515 -0.426 1.00 15.23 O HETATM 1055 O HOH A 182 14.693 62.469 -10.406 1.00 20.52 O HETATM 1056 O HOH A 183 -0.050 50.151 10.867 1.00 29.57 O HETATM 1057 O HOH A 184 5.602 56.639 -15.935 1.00 21.12 O HETATM 1058 O HOH A 185 15.180 55.421 5.035 1.00 20.91 O HETATM 1059 O HOH A 186 3.626 64.262 9.114 1.00 19.48 O HETATM 1060 O HOH A 187 16.613 57.616 -0.595 1.00 21.66 O HETATM 1061 O HOH A 188 6.852 64.704 9.575 1.00 35.10 O HETATM 1062 O HOH A 189 18.509 54.132 -0.815 1.00 24.85 O HETATM 1063 O HOH A 190 -7.880 62.585 12.522 1.00 9.57 O HETATM 1064 O HOH A 191 4.265 67.038 6.683 1.00 23.27 O HETATM 1065 O HOH A 192 7.044 65.600 -10.383 1.00 27.17 O HETATM 1066 O HOH A 193 1.153 38.631 -3.476 1.00 19.79 O HETATM 1067 O HOH A 194 3.413 70.114 13.086 1.00 43.02 O HETATM 1068 O HOH A 195 -1.549 63.253 -2.058 1.00 14.35 O HETATM 1069 O HOH A 196 0.567 64.696 -2.255 1.00 11.30 O HETATM 1070 O HOH A 197 3.669 40.098 -9.655 1.00 11.46 O HETATM 1071 O HOH A 198 3.180 68.450 11.280 1.00 29.76 O HETATM 1072 O HOH A 199 -4.409 40.025 0.686 1.00 33.06 O HETATM 1073 O HOH A 200 1.258 34.584 -4.718 1.00 32.41 O HETATM 1074 O HOH A 201 -1.359 54.085 14.789 1.00 39.43 O HETATM 1075 O HOH A 202 6.532 70.675 -5.079 1.00 53.74 O HETATM 1076 O HOH A 203 -2.892 65.094 -15.235 1.00 21.20 O HETATM 1077 O HOH A 204 -14.543 69.436 14.200 1.00 29.30 O HETATM 1078 O HOH A 205 6.257 42.767 0.856 1.00 7.05 O HETATM 1079 O HOH A 206 18.348 58.147 -18.581 1.00 25.87 O HETATM 1080 O HOH A 207 -1.002 38.257 -5.488 1.00 18.07 O HETATM 1081 O HOH A 208 1.989 58.962 18.896 1.00 28.78 O HETATM 1082 O HOH A 209 5.545 39.727 0.855 1.00 13.11 O HETATM 1083 O HOH A 210 0.800 56.142 -14.974 1.00 28.93 O CONECT 48 981 CONECT 238 889 CONECT 513 630 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 889 238 CONECT 981 48 MASTER 281 0 0 8 3 0 0 6 1082 1 8 10 END