HEADER HYDROLASE 05-AUG-09 3IJU TITLE CHICKEN EGG WHITE LYSOZYME BY HIGHLY ORDERED APA (ANODIC POROUS TITLE 2 ALUMINA) NANOTEMPLATE CRYSTALLIZATION 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 HEN EGG WHITE LYSOZYME, ALLERGEN, ANTIMICROBIAL, BACTERIOLYTIC KEYWDS 2 ENZYME, DISULFIDE BOND, GLYCOSIDASE, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI REVDAT 1 11-AUG-10 3IJU 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. 1.60 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) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 21.57 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.5 REMARK 3 NUMBER OF REFLECTIONS : 16005 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) : 0.225 REMARK 3 FREE R VALUE : 0.237 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 803 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) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1107 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.2130 REMARK 3 BIN FREE R VALUE SET COUNT : 72 REMARK 3 BIN FREE R VALUE : 0.2230 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) : 18.64 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.24000 REMARK 3 B22 (A**2) : 0.24000 REMARK 3 B33 (A**2) : -0.49000 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): 0.116 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.104 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.065 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.762 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.927 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.929 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1025 ; 0.010 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1389 ; 1.252 ; 1.903 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 128 ; 5.580 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 50 ;36.750 ;23.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 166 ;14.671 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;19.440 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 144 ; 0.084 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 794 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 442 ; 0.220 ; 0.300 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 703 ; 0.309 ; 0.500 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 99 ; 0.179 ; 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): 27 ; 0.325 ; 0.300 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 16 ; 0.182 ; 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): 647 ; 1.320 ; 2.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1008 ; 2.155 ; 3.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 445 ; 1.576 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 381 ; 2.474 ; 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 3IJU 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 RCSB054501. 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) : 0.9465 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 : 16036 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 55.907 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 200 DATA REDUNDANCY : 11.000 REMARK 200 R MERGE (I) : 0.09900 REMARK 200 R SYM (I) : 0.09900 REMARK 200 FOR THE DATA SET : 21.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 11.50 REMARK 200 R MERGE FOR SHELL (I) : 0.22100 REMARK 200 R SYM FOR SHELL (I) : 0.22100 REMARK 200 FOR SHELL : 2.800 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 (%): 39.91 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05 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 18.77200 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.53200 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.53200 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.15800 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.53200 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.53200 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.38600 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.53200 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.53200 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.15800 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.53200 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.53200 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.38600 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 18.77200 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 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 2.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2YVB RELATED DB: PDB REMARK 900 LYSOZYME REMARK 900 RELATED ID: 3IJV RELATED DB: PDB REMARK 900 LYSOZYME GROWN BY CLASSICAL HANGING DROP METHOD DBREF 3IJU 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 2.04 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.08 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.07 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.07 CRYST1 79.064 79.064 37.544 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 0.012648 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012648 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026635 0.00000 ATOM 1 N LYS A 1 -3.211 68.854 -8.811 1.00 17.22 N ATOM 2 CA LYS A 1 -2.229 68.466 -9.874 1.00 16.89 C ATOM 3 C LYS A 1 -2.268 66.956 -10.061 1.00 16.05 C ATOM 4 O LYS A 1 -2.261 66.202 -9.071 1.00 15.79 O ATOM 5 CB LYS A 1 -0.822 68.936 -9.493 1.00 17.72 C ATOM 6 CG LYS A 1 0.269 68.469 -10.415 1.00 18.83 C ATOM 7 CD LYS A 1 1.617 69.027 -9.998 1.00 19.82 C ATOM 8 CE LYS A 1 2.753 68.303 -10.713 1.00 20.69 C ATOM 9 NZ LYS A 1 4.054 69.027 -10.544 1.00 23.71 N ATOM 10 N VAL A 2 -2.340 66.513 -11.314 1.00 15.30 N ATOM 11 CA VAL A 2 -2.228 65.097 -11.630 1.00 15.40 C ATOM 12 C VAL A 2 -0.807 64.827 -12.132 1.00 15.53 C ATOM 13 O VAL A 2 -0.423 65.270 -13.221 1.00 17.47 O ATOM 14 CB VAL A 2 -3.267 64.643 -12.674 1.00 15.68 C ATOM 15 CG1 VAL A 2 -3.033 63.194 -13.056 1.00 15.85 C ATOM 16 CG2 VAL A 2 -4.678 64.818 -12.121 1.00 15.18 C ATOM 17 N PHE A 3 -0.028 64.129 -11.318 1.00 14.88 N ATOM 18 CA PHE A 3 1.350 63.769 -11.699 1.00 15.27 C ATOM 19 C PHE A 3 1.381 62.682 -12.738 1.00 15.77 C ATOM 20 O PHE A 3 0.508 61.831 -12.779 1.00 15.87 O ATOM 21 CB PHE A 3 2.113 63.244 -10.466 1.00 14.94 C ATOM 22 CG PHE A 3 2.690 64.325 -9.596 1.00 15.34 C ATOM 23 CD1 PHE A 3 1.908 64.962 -8.639 1.00 16.22 C ATOM 24 CD2 PHE A 3 4.034 64.687 -9.706 1.00 15.86 C ATOM 25 CE1 PHE A 3 2.438 65.952 -7.822 1.00 16.55 C ATOM 26 CE2 PHE A 3 4.571 65.681 -8.904 1.00 16.32 C ATOM 27 CZ PHE A 3 3.773 66.306 -7.948 1.00 16.68 C ATOM 28 N GLY A 4 2.418 62.696 -13.577 1.00 17.17 N ATOM 29 CA GLY A 4 2.771 61.510 -14.341 1.00 16.30 C ATOM 30 C GLY A 4 3.607 60.590 -13.459 1.00 16.41 C ATOM 31 O GLY A 4 4.153 61.024 -12.447 1.00 17.00 O ATOM 32 N ARG A 5 3.682 59.324 -13.849 1.00 17.58 N ATOM 33 CA ARG A 5 4.353 58.275 -13.093 1.00 18.06 C ATOM 34 C ARG A 5 5.821 58.621 -12.793 1.00 18.21 C ATOM 35 O ARG A 5 6.251 58.648 -11.629 1.00 17.02 O ATOM 36 CB ARG A 5 4.270 56.986 -13.908 1.00 19.97 C ATOM 37 CG ARG A 5 4.985 55.825 -13.308 1.00 20.54 C ATOM 38 CD ARG A 5 4.723 54.557 -14.115 1.00 21.29 C ATOM 39 NE ARG A 5 5.232 54.594 -15.489 1.00 22.43 N ATOM 40 CZ ARG A 5 6.488 54.303 -15.828 1.00 22.48 C ATOM 41 NH1 ARG A 5 7.379 53.972 -14.901 1.00 22.13 N ATOM 42 NH2 ARG A 5 6.859 54.339 -17.101 1.00 23.20 N ATOM 43 N CYS A 6 6.598 58.898 -13.832 1.00 18.93 N ATOM 44 CA CYS A 6 8.013 59.229 -13.603 1.00 20.07 C ATOM 45 C CYS A 6 8.205 60.587 -12.917 1.00 18.47 C ATOM 46 O CYS A 6 9.155 60.779 -12.162 1.00 17.62 O ATOM 47 CB CYS A 6 8.825 59.179 -14.895 1.00 21.77 C ATOM 48 SG CYS A 6 8.970 57.529 -15.600 1.00 25.58 S ATOM 49 N GLU A 7 7.308 61.527 -13.183 1.00 16.30 N ATOM 50 CA GLU A 7 7.362 62.836 -12.536 1.00 15.91 C ATOM 51 C GLU A 7 7.160 62.674 -11.010 1.00 15.31 C ATOM 52 O GLU A 7 7.817 63.346 -10.212 1.00 16.53 O ATOM 53 CB GLU A 7 6.275 63.752 -13.114 1.00 17.20 C ATOM 54 CG GLU A 7 6.245 65.158 -12.538 1.00 18.84 C ATOM 55 CD GLU A 7 5.007 65.943 -12.964 1.00 19.88 C ATOM 56 OE1 GLU A 7 3.999 65.334 -13.431 1.00 20.63 O ATOM 57 OE2 GLU A 7 5.045 67.189 -12.834 1.00 21.11 O ATOM 58 N LEU A 8 6.248 61.783 -10.622 1.00 14.22 N ATOM 59 CA LEU A 8 6.028 61.560 -9.194 1.00 13.48 C ATOM 60 C LEU A 8 7.192 60.834 -8.554 1.00 13.74 C ATOM 61 O LEU A 8 7.589 61.166 -7.417 1.00 13.80 O ATOM 62 CB LEU A 8 4.726 60.780 -8.957 1.00 13.41 C ATOM 63 CG LEU A 8 4.418 60.559 -7.471 1.00 13.41 C ATOM 64 CD1 LEU A 8 4.249 61.907 -6.736 1.00 12.82 C ATOM 65 CD2 LEU A 8 3.169 59.689 -7.394 1.00 14.73 C ATOM 66 N ALA A 9 7.727 59.837 -9.258 1.00 13.57 N ATOM 67 CA ALA A 9 8.910 59.106 -8.741 1.00 14.15 C ATOM 68 C ALA A 9 10.040 60.092 -8.416 1.00 14.87 C ATOM 69 O ALA A 9 10.631 60.070 -7.330 1.00 14.53 O ATOM 70 CB ALA A 9 9.360 58.051 -9.729 1.00 14.78 C ATOM 71 N ALA A 10 10.306 61.005 -9.340 1.00 16.51 N ATOM 72 CA ALA A 10 11.338 62.018 -9.125 1.00 15.86 C ATOM 73 C ALA A 10 11.034 62.925 -7.928 1.00 16.10 C ATOM 74 O ALA A 10 11.917 63.286 -7.159 1.00 16.58 O ATOM 75 CB ALA A 10 11.505 62.857 -10.389 1.00 17.65 C ATOM 76 N ALA A 11 9.774 63.327 -7.783 1.00 15.73 N ATOM 77 CA ALA A 11 9.404 64.207 -6.694 1.00 15.47 C ATOM 78 C ALA A 11 9.558 63.480 -5.360 1.00 15.84 C ATOM 79 O ALA A 11 10.035 64.063 -4.391 1.00 16.47 O ATOM 80 CB ALA A 11 7.983 64.734 -6.863 1.00 17.34 C ATOM 81 N MET A 12 9.183 62.202 -5.324 1.00 14.52 N ATOM 82 CA MET A 12 9.303 61.424 -4.095 1.00 15.94 C ATOM 83 C MET A 12 10.763 61.244 -3.665 1.00 16.67 C ATOM 84 O MET A 12 11.088 61.384 -2.489 1.00 17.68 O ATOM 85 CB MET A 12 8.559 60.095 -4.238 1.00 15.43 C ATOM 86 CG MET A 12 7.044 60.264 -4.186 1.00 14.89 C ATOM 87 SD MET A 12 6.233 58.705 -4.539 1.00 15.16 S ATOM 88 CE MET A 12 4.602 58.993 -3.839 1.00 16.26 C ATOM 89 N LYS A 13 11.631 60.978 -4.640 1.00 18.54 N ATOM 90 CA LYS A 13 13.071 60.807 -4.416 1.00 20.28 C ATOM 91 C LYS A 13 13.670 62.102 -3.900 1.00 20.80 C ATOM 92 O LYS A 13 14.439 62.094 -2.945 1.00 20.18 O ATOM 93 CB LYS A 13 13.750 60.432 -5.734 1.00 20.74 C ATOM 94 CG LYS A 13 15.243 60.163 -5.644 1.00 23.19 C ATOM 95 CD LYS A 13 15.695 59.459 -6.936 1.00 25.62 C ATOM 96 CE LYS A 13 16.843 58.503 -6.705 1.00 28.11 C ATOM 97 NZ LYS A 13 18.145 59.090 -7.126 1.00 28.85 N ATOM 98 N ARG A 14 13.290 63.223 -4.508 1.00 21.52 N ATOM 99 CA ARG A 14 13.812 64.505 -4.078 1.00 24.10 C ATOM 100 C ARG A 14 13.499 64.751 -2.610 1.00 23.41 C ATOM 101 O ARG A 14 14.309 65.309 -1.879 1.00 24.18 O ATOM 102 CB ARG A 14 13.256 65.636 -4.948 1.00 26.73 C ATOM 103 CG ARG A 14 14.356 66.502 -5.538 1.00 30.64 C ATOM 104 CD ARG A 14 14.197 67.932 -5.122 1.00 31.41 C ATOM 105 NE ARG A 14 12.883 68.459 -5.474 1.00 32.93 N ATOM 106 CZ ARG A 14 12.325 69.504 -4.872 1.00 33.30 C ATOM 107 NH1 ARG A 14 12.961 70.124 -3.881 1.00 33.15 N ATOM 108 NH2 ARG A 14 11.128 69.922 -5.258 1.00 33.90 N ATOM 109 N HIS A 15 12.321 64.304 -2.182 1.00 21.74 N ATOM 110 CA HIS A 15 11.868 64.502 -0.808 1.00 21.49 C ATOM 111 C HIS A 15 12.254 63.360 0.144 1.00 20.49 C ATOM 112 O HIS A 15 11.786 63.302 1.289 1.00 22.02 O ATOM 113 CB HIS A 15 10.358 64.762 -0.778 1.00 21.91 C ATOM 114 CG HIS A 15 9.963 66.109 -1.307 1.00 22.81 C ATOM 115 ND1 HIS A 15 9.762 66.353 -2.650 1.00 22.95 N ATOM 116 CD2 HIS A 15 9.727 67.283 -0.674 1.00 23.79 C ATOM 117 CE1 HIS A 15 9.431 67.621 -2.824 1.00 24.02 C ATOM 118 NE2 HIS A 15 9.401 68.208 -1.641 1.00 24.91 N ATOM 119 N GLY A 16 13.114 62.458 -0.317 1.00 19.94 N ATOM 120 CA GLY A 16 13.728 61.463 0.576 1.00 19.84 C ATOM 121 C GLY A 16 12.885 60.246 0.915 1.00 19.34 C ATOM 122 O GLY A 16 13.144 59.579 1.924 1.00 19.62 O ATOM 123 N LEU A 17 11.897 59.939 0.074 1.00 18.32 N ATOM 124 CA LEU A 17 11.080 58.731 0.269 1.00 18.63 C ATOM 125 C LEU A 17 11.692 57.424 -0.245 1.00 20.64 C ATOM 126 O LEU A 17 11.318 56.340 0.216 1.00 20.53 O ATOM 127 CB LEU A 17 9.694 58.886 -0.367 1.00 18.86 C ATOM 128 CG LEU A 17 8.479 59.356 0.417 1.00 20.32 C ATOM 129 CD1 LEU A 17 7.218 59.070 -0.402 1.00 17.57 C ATOM 130 CD2 LEU A 17 8.348 58.719 1.803 1.00 17.35 C ATOM 131 N ASP A 18 12.600 57.496 -1.211 1.00 20.59 N ATOM 132 CA ASP A 18 13.184 56.277 -1.767 1.00 22.18 C ATOM 133 C ASP A 18 13.962 55.538 -0.682 1.00 22.15 C ATOM 134 O ASP A 18 14.903 56.081 -0.098 1.00 22.46 O ATOM 135 CB ASP A 18 14.091 56.569 -2.977 1.00 25.78 C ATOM 136 CG ASP A 18 14.547 55.284 -3.721 1.00 29.10 C ATOM 137 OD1 ASP A 18 14.032 54.168 -3.436 1.00 32.66 O ATOM 138 OD2 ASP A 18 15.427 55.381 -4.617 1.00 31.76 O ATOM 139 N ASN A 19 13.544 54.302 -0.424 1.00 20.27 N ATOM 140 CA ASN A 19 14.126 53.439 0.598 1.00 20.17 C ATOM 141 C ASN A 19 13.858 53.890 2.029 1.00 18.40 C ATOM 142 O ASN A 19 14.522 53.416 2.965 1.00 17.53 O ATOM 143 CB ASN A 19 15.632 53.269 0.368 1.00 23.17 C ATOM 144 CG ASN A 19 15.966 52.780 -1.042 1.00 25.91 C ATOM 145 OD1 ASN A 19 15.354 51.840 -1.553 1.00 28.44 O ATOM 146 ND2 ASN A 19 16.967 53.398 -1.657 1.00 26.96 N ATOM 147 N TYR A 20 12.884 54.785 2.220 1.00 17.78 N ATOM 148 CA TYR A 20 12.546 55.213 3.570 1.00 15.75 C ATOM 149 C TYR A 20 11.921 54.050 4.329 1.00 15.94 C ATOM 150 O TYR A 20 10.993 53.406 3.834 1.00 15.30 O ATOM 151 CB TYR A 20 11.598 56.431 3.559 1.00 17.52 C ATOM 152 CG TYR A 20 11.467 57.063 4.936 1.00 18.12 C ATOM 153 CD1 TYR A 20 12.385 58.006 5.378 1.00 18.31 C ATOM 154 CD2 TYR A 20 10.439 56.692 5.797 1.00 17.84 C ATOM 155 CE1 TYR A 20 12.280 58.575 6.647 1.00 18.74 C ATOM 156 CE2 TYR A 20 10.325 57.250 7.063 1.00 18.80 C ATOM 157 CZ TYR A 20 11.254 58.185 7.484 1.00 19.07 C ATOM 158 OH TYR A 20 11.150 58.773 8.735 1.00 19.81 O ATOM 159 N ARG A 21 12.436 53.789 5.532 1.00 15.80 N ATOM 160 CA ARG A 21 12.032 52.611 6.310 1.00 16.40 C ATOM 161 C ARG A 21 12.118 51.336 5.489 1.00 15.30 C ATOM 162 O ARG A 21 11.361 50.388 5.713 1.00 16.13 O ATOM 163 CB ARG A 21 10.620 52.793 6.851 1.00 19.27 C ATOM 164 CG ARG A 21 10.489 53.916 7.827 1.00 24.32 C ATOM 165 CD ARG A 21 10.835 53.468 9.236 1.00 27.91 C ATOM 166 NE ARG A 21 11.153 54.629 10.067 1.00 32.27 N ATOM 167 CZ ARG A 21 11.291 54.588 11.387 1.00 33.86 C ATOM 168 NH1 ARG A 21 11.120 53.444 12.035 1.00 35.01 N ATOM 169 NH2 ARG A 21 11.579 55.698 12.059 1.00 35.06 N ATOM 170 N GLY A 22 13.035 51.313 4.528 1.00 14.10 N ATOM 171 CA GLY A 22 13.267 50.127 3.739 1.00 13.17 C ATOM 172 C GLY A 22 12.338 49.895 2.556 1.00 13.36 C ATOM 173 O GLY A 22 12.403 48.842 1.921 1.00 13.82 O ATOM 174 N TYR A 23 11.450 50.848 2.280 1.00 11.97 N ATOM 175 CA TYR A 23 10.519 50.701 1.153 1.00 11.55 C ATOM 176 C TYR A 23 11.045 51.412 -0.087 1.00 11.63 C ATOM 177 O TYR A 23 11.233 52.648 -0.092 1.00 12.79 O ATOM 178 CB TYR A 23 9.131 51.236 1.539 1.00 11.60 C ATOM 179 CG TYR A 23 8.439 50.385 2.563 1.00 10.91 C ATOM 180 CD1 TYR A 23 7.637 49.314 2.175 1.00 10.44 C ATOM 181 CD2 TYR A 23 8.585 50.651 3.930 1.00 11.29 C ATOM 182 CE1 TYR A 23 6.995 48.514 3.111 1.00 11.34 C ATOM 183 CE2 TYR A 23 7.952 49.837 4.889 1.00 10.54 C ATOM 184 CZ TYR A 23 7.152 48.775 4.464 1.00 11.27 C ATOM 185 OH TYR A 23 6.477 47.934 5.348 1.00 11.84 O ATOM 186 N SER A 24 11.292 50.622 -1.130 1.00 13.30 N ATOM 187 CA SER A 24 11.828 51.172 -2.377 1.00 13.78 C ATOM 188 C SER A 24 10.830 52.112 -3.056 1.00 14.82 C ATOM 189 O SER A 24 9.596 52.023 -2.848 1.00 15.66 O ATOM 190 CB SER A 24 12.199 50.040 -3.321 1.00 15.29 C ATOM 191 OG SER A 24 11.036 49.373 -3.763 1.00 17.07 O ATOM 192 N LEU A 25 11.375 53.011 -3.869 1.00 14.29 N ATOM 193 CA LEU A 25 10.567 54.000 -4.560 1.00 14.20 C ATOM 194 C LEU A 25 9.333 53.408 -5.256 1.00 12.98 C ATOM 195 O LEU A 25 8.254 54.033 -5.241 1.00 13.71 O ATOM 196 CB LEU A 25 11.438 54.727 -5.573 1.00 15.88 C ATOM 197 CG LEU A 25 10.899 56.008 -6.185 1.00 15.70 C ATOM 198 CD1 LEU A 25 10.410 57.008 -5.127 1.00 17.41 C ATOM 199 CD2 LEU A 25 12.004 56.638 -7.067 1.00 16.62 C ATOM 200 N GLY A 26 9.476 52.253 -5.903 1.00 12.51 N ATOM 201 CA GLY A 26 8.356 51.598 -6.610 1.00 11.65 C ATOM 202 C GLY A 26 7.159 51.358 -5.695 1.00 10.12 C ATOM 203 O GLY A 26 6.006 51.446 -6.112 1.00 13.01 O ATOM 204 N ASN A 27 7.413 51.037 -4.433 1.00 11.72 N ATOM 205 CA ASN A 27 6.295 50.817 -3.488 1.00 10.11 C ATOM 206 C ASN A 27 5.489 52.086 -3.265 1.00 9.43 C ATOM 207 O ASN A 27 4.257 52.042 -3.202 1.00 10.46 O ATOM 208 CB ASN A 27 6.820 50.317 -2.132 1.00 11.26 C ATOM 209 CG ASN A 27 7.185 48.846 -2.168 1.00 9.52 C ATOM 210 OD1 ASN A 27 6.318 47.971 -2.088 1.00 11.58 O ATOM 211 ND2 ASN A 27 8.484 48.569 -2.330 1.00 11.70 N ATOM 212 N TRP A 28 6.187 53.202 -3.165 1.00 9.55 N ATOM 213 CA TRP A 28 5.544 54.476 -2.935 1.00 9.60 C ATOM 214 C TRP A 28 4.773 54.922 -4.171 1.00 10.93 C ATOM 215 O TRP A 28 3.680 55.457 -4.055 1.00 11.09 O ATOM 216 CB TRP A 28 6.569 55.525 -2.493 1.00 11.25 C ATOM 217 CG TRP A 28 7.231 55.194 -1.172 1.00 10.94 C ATOM 218 CD1 TRP A 28 8.490 54.673 -0.980 1.00 12.43 C ATOM 219 CD2 TRP A 28 6.650 55.324 0.127 1.00 11.93 C ATOM 220 NE1 TRP A 28 8.721 54.494 0.367 1.00 12.29 N ATOM 221 CE2 TRP A 28 7.614 54.907 1.066 1.00 11.73 C ATOM 222 CE3 TRP A 28 5.414 55.795 0.587 1.00 12.60 C ATOM 223 CZ2 TRP A 28 7.372 54.940 2.464 1.00 11.96 C ATOM 224 CZ3 TRP A 28 5.176 55.824 1.956 1.00 13.03 C ATOM 225 CH2 TRP A 28 6.147 55.403 2.871 1.00 11.89 C ATOM 226 N VAL A 29 5.354 54.717 -5.355 1.00 12.01 N ATOM 227 CA VAL A 29 4.654 55.101 -6.594 1.00 11.85 C ATOM 228 C VAL A 29 3.405 54.232 -6.808 1.00 12.49 C ATOM 229 O VAL A 29 2.331 54.743 -7.138 1.00 11.76 O ATOM 230 CB VAL A 29 5.628 55.074 -7.789 1.00 12.16 C ATOM 231 CG1 VAL A 29 4.899 55.320 -9.112 1.00 12.70 C ATOM 232 CG2 VAL A 29 6.729 56.113 -7.573 1.00 13.32 C ATOM 233 N CYS A 30 3.549 52.934 -6.585 1.00 11.33 N ATOM 234 CA CYS A 30 2.434 52.005 -6.630 1.00 12.18 C ATOM 235 C CYS A 30 1.323 52.431 -5.659 1.00 11.06 C ATOM 236 O CYS A 30 0.141 52.471 -6.034 1.00 10.29 O ATOM 237 CB CYS A 30 2.906 50.561 -6.353 1.00 13.30 C ATOM 238 SG CYS A 30 1.619 49.338 -6.578 1.00 15.39 S ATOM 239 N ALA A 31 1.692 52.766 -4.423 1.00 10.86 N ATOM 240 CA ALA A 31 0.660 53.119 -3.440 1.00 10.63 C ATOM 241 C ALA A 31 -0.048 54.389 -3.879 1.00 10.32 C ATOM 242 O ALA A 31 -1.283 54.476 -3.820 1.00 11.61 O ATOM 243 CB ALA A 31 1.246 53.278 -2.044 1.00 10.37 C ATOM 244 N ALA A 32 0.699 55.363 -4.396 1.00 10.32 N ATOM 245 CA ALA A 32 0.063 56.600 -4.880 1.00 10.11 C ATOM 246 C ALA A 32 -0.881 56.331 -6.075 1.00 9.29 C ATOM 247 O ALA A 32 -1.981 56.901 -6.181 1.00 10.46 O ATOM 248 CB ALA A 32 1.108 57.620 -5.256 1.00 10.96 C ATOM 249 N LYS A 33 -0.477 55.443 -6.975 1.00 10.09 N ATOM 250 CA LYS A 33 -1.324 55.110 -8.116 1.00 11.77 C ATOM 251 C LYS A 33 -2.712 54.623 -7.679 1.00 11.51 C ATOM 252 O LYS A 33 -3.749 55.083 -8.177 1.00 11.50 O ATOM 253 CB LYS A 33 -0.643 54.024 -8.964 1.00 13.48 C ATOM 254 CG LYS A 33 -1.539 53.471 -10.054 1.00 16.24 C ATOM 255 CD LYS A 33 -1.661 54.428 -11.219 1.00 18.48 C ATOM 256 CE LYS A 33 -2.530 53.817 -12.280 1.00 20.86 C ATOM 257 NZ LYS A 33 -2.875 54.851 -13.286 1.00 23.17 N ATOM 258 N PHE A 34 -2.734 53.695 -6.730 1.00 12.42 N ATOM 259 CA PHE A 34 -3.995 53.071 -6.384 1.00 12.42 C ATOM 260 C PHE A 34 -4.735 53.845 -5.287 1.00 13.35 C ATOM 261 O PHE A 34 -5.959 53.693 -5.128 1.00 15.90 O ATOM 262 CB PHE A 34 -3.780 51.592 -6.061 1.00 13.61 C ATOM 263 CG PHE A 34 -3.345 50.790 -7.262 1.00 13.90 C ATOM 264 CD1 PHE A 34 -4.076 50.849 -8.442 1.00 14.24 C ATOM 265 CD2 PHE A 34 -2.202 49.996 -7.225 1.00 15.05 C ATOM 266 CE1 PHE A 34 -3.683 50.124 -9.554 1.00 15.34 C ATOM 267 CE2 PHE A 34 -1.819 49.274 -8.329 1.00 15.95 C ATOM 268 CZ PHE A 34 -2.548 49.338 -9.485 1.00 15.62 C ATOM 269 N GLU A 35 -4.025 54.677 -4.534 1.00 12.33 N ATOM 270 CA GLU A 35 -4.724 55.510 -3.549 1.00 12.12 C ATOM 271 C GLU A 35 -5.435 56.688 -4.216 1.00 13.15 C ATOM 272 O GLU A 35 -6.594 56.966 -3.910 1.00 12.91 O ATOM 273 CB GLU A 35 -3.766 56.026 -2.458 1.00 12.89 C ATOM 274 CG GLU A 35 -3.267 54.958 -1.487 1.00 15.23 C ATOM 275 CD GLU A 35 -4.372 54.370 -0.599 1.00 16.97 C ATOM 276 OE1 GLU A 35 -5.498 54.908 -0.578 1.00 18.40 O ATOM 277 OE2 GLU A 35 -4.118 53.345 0.081 1.00 17.72 O ATOM 278 N SER A 36 -4.759 57.365 -5.155 1.00 11.31 N ATOM 279 CA SER A 36 -5.256 58.646 -5.692 1.00 11.64 C ATOM 280 C SER A 36 -5.222 58.779 -7.212 1.00 12.23 C ATOM 281 O SER A 36 -5.613 59.834 -7.745 1.00 11.80 O ATOM 282 CB SER A 36 -4.417 59.784 -5.130 1.00 12.33 C ATOM 283 OG SER A 36 -3.089 59.693 -5.637 1.00 10.53 O ATOM 284 N ASN A 37 -4.715 57.754 -7.908 1.00 12.83 N ATOM 285 CA ASN A 37 -4.456 57.861 -9.358 1.00 14.29 C ATOM 286 C ASN A 37 -3.573 59.061 -9.702 1.00 11.80 C ATOM 287 O ASN A 37 -3.748 59.716 -10.751 1.00 13.86 O ATOM 288 CB ASN A 37 -5.749 57.889 -10.176 1.00 16.08 C ATOM 289 CG ASN A 37 -5.541 57.362 -11.588 1.00 18.60 C ATOM 290 OD1 ASN A 37 -4.579 56.633 -11.851 1.00 19.60 O ATOM 291 ND2 ASN A 37 -6.433 57.727 -12.498 1.00 21.20 N ATOM 292 N PHE A 38 -2.664 59.360 -8.780 1.00 11.79 N ATOM 293 CA PHE A 38 -1.632 60.383 -8.926 1.00 11.13 C ATOM 294 C PHE A 38 -2.196 61.814 -8.844 1.00 11.78 C ATOM 295 O PHE A 38 -1.517 62.780 -9.237 1.00 11.40 O ATOM 296 CB PHE A 38 -0.878 60.209 -10.256 1.00 11.42 C ATOM 297 CG PHE A 38 -0.091 58.909 -10.392 1.00 11.91 C ATOM 298 CD1 PHE A 38 0.534 58.299 -9.308 1.00 11.59 C ATOM 299 CD2 PHE A 38 0.089 58.353 -11.647 1.00 13.26 C ATOM 300 CE1 PHE A 38 1.298 57.130 -9.484 1.00 12.10 C ATOM 301 CE2 PHE A 38 0.838 57.208 -11.822 1.00 12.41 C ATOM 302 CZ PHE A 38 1.449 56.596 -10.751 1.00 12.60 C ATOM 303 N ASN A 39 -3.399 61.948 -8.286 1.00 10.68 N ATOM 304 CA ASN A 39 -4.080 63.260 -8.173 1.00 10.56 C ATOM 305 C ASN A 39 -3.896 63.869 -6.786 1.00 10.49 C ATOM 306 O ASN A 39 -4.397 63.287 -5.799 1.00 11.66 O ATOM 307 CB ASN A 39 -5.575 63.090 -8.463 1.00 11.70 C ATOM 308 CG ASN A 39 -6.314 64.418 -8.623 1.00 12.87 C ATOM 309 OD1 ASN A 39 -5.815 65.474 -8.272 1.00 11.54 O ATOM 310 ND2 ASN A 39 -7.530 64.350 -9.186 1.00 16.26 N ATOM 311 N THR A 40 -3.207 65.010 -6.688 1.00 10.91 N ATOM 312 CA THR A 40 -2.976 65.616 -5.377 1.00 11.75 C ATOM 313 C THR A 40 -4.271 66.076 -4.726 1.00 11.03 C ATOM 314 O THR A 40 -4.308 66.244 -3.514 1.00 11.86 O ATOM 315 CB THR A 40 -1.993 66.811 -5.402 1.00 13.33 C ATOM 316 OG1 THR A 40 -2.568 67.914 -6.127 1.00 14.91 O ATOM 317 CG2 THR A 40 -0.666 66.389 -6.024 1.00 14.35 C ATOM 318 N GLN A 41 -5.319 66.297 -5.522 1.00 10.79 N ATOM 319 CA GLN A 41 -6.547 66.845 -4.948 1.00 11.70 C ATOM 320 C GLN A 41 -7.557 65.784 -4.527 1.00 11.28 C ATOM 321 O GLN A 41 -8.700 66.130 -4.158 1.00 14.44 O ATOM 322 CB GLN A 41 -7.201 67.829 -5.927 1.00 12.40 C ATOM 323 CG GLN A 41 -6.317 69.048 -6.172 1.00 12.86 C ATOM 324 CD GLN A 41 -7.049 70.163 -6.848 1.00 12.80 C ATOM 325 OE1 GLN A 41 -7.707 70.955 -6.178 1.00 15.84 O ATOM 326 NE2 GLN A 41 -6.950 70.238 -8.186 1.00 13.93 N ATOM 327 N ALA A 42 -7.159 64.509 -4.566 1.00 10.56 N ATOM 328 CA ALA A 42 -8.079 63.395 -4.307 1.00 10.86 C ATOM 329 C ALA A 42 -8.584 63.450 -2.860 1.00 11.07 C ATOM 330 O ALA A 42 -7.809 63.684 -1.942 1.00 10.71 O ATOM 331 CB ALA A 42 -7.393 62.037 -4.595 1.00 9.78 C ATOM 332 N THR A 43 -9.891 63.260 -2.675 1.00 12.63 N ATOM 333 CA THR A 43 -10.449 63.126 -1.327 1.00 13.38 C ATOM 334 C THR A 43 -11.424 61.963 -1.318 1.00 14.42 C ATOM 335 O THR A 43 -12.055 61.671 -2.333 1.00 16.07 O ATOM 336 CB THR A 43 -11.206 64.393 -0.831 1.00 14.27 C ATOM 337 OG1 THR A 43 -12.344 64.646 -1.679 1.00 14.87 O ATOM 338 CG2 THR A 43 -10.329 65.612 -0.831 1.00 14.83 C ATOM 339 N ASN A 44 -11.582 61.314 -0.170 1.00 13.24 N ATOM 340 CA ASN A 44 -12.562 60.239 -0.069 1.00 14.97 C ATOM 341 C ASN A 44 -13.101 60.148 1.360 1.00 13.22 C ATOM 342 O ASN A 44 -12.326 60.050 2.301 1.00 12.74 O ATOM 343 CB ASN A 44 -11.952 58.915 -0.555 1.00 18.55 C ATOM 344 CG ASN A 44 -11.793 58.872 -2.091 1.00 21.64 C ATOM 345 OD1 ASN A 44 -10.673 58.936 -2.627 1.00 25.42 O ATOM 346 ND2 ASN A 44 -12.924 58.790 -2.805 1.00 24.30 N ATOM 347 N ARG A 45 -14.429 60.215 1.496 1.00 13.22 N ATOM 348 CA ARG A 45 -15.074 60.116 2.807 1.00 15.65 C ATOM 349 C ARG A 45 -15.275 58.664 3.212 1.00 17.12 C ATOM 350 O ARG A 45 -15.799 57.846 2.435 1.00 18.31 O ATOM 351 CB ARG A 45 -16.438 60.803 2.778 1.00 16.77 C ATOM 352 CG ARG A 45 -17.021 61.109 4.177 1.00 19.66 C ATOM 353 CD ARG A 45 -16.508 62.455 4.667 1.00 21.38 C ATOM 354 NE ARG A 45 -16.811 62.755 6.068 1.00 25.63 N ATOM 355 CZ ARG A 45 -17.741 63.628 6.457 1.00 25.16 C ATOM 356 NH1 ARG A 45 -18.478 64.266 5.552 1.00 27.29 N ATOM 357 NH2 ARG A 45 -17.936 63.869 7.750 1.00 25.02 N ATOM 358 N ASN A 46 -14.938 58.371 4.463 1.00 18.10 N ATOM 359 CA ASN A 46 -15.076 57.032 5.031 1.00 20.13 C ATOM 360 C ASN A 46 -16.390 56.893 5.780 1.00 22.24 C ATOM 361 O ASN A 46 -17.003 57.892 6.159 1.00 21.76 O ATOM 362 CB ASN A 46 -13.885 56.751 5.953 1.00 20.96 C ATOM 363 CG ASN A 46 -12.544 56.944 5.245 1.00 21.85 C ATOM 364 OD1 ASN A 46 -11.679 57.680 5.709 1.00 24.01 O ATOM 365 ND2 ASN A 46 -12.391 56.305 4.095 1.00 23.56 N ATOM 366 N THR A 47 -16.845 55.658 5.982 1.00 24.53 N ATOM 367 CA THR A 47 -18.129 55.446 6.655 1.00 26.62 C ATOM 368 C THR A 47 -18.138 56.010 8.079 1.00 26.14 C ATOM 369 O THR A 47 -19.197 56.402 8.577 1.00 27.03 O ATOM 370 CB THR A 47 -18.528 53.946 6.680 1.00 28.04 C ATOM 371 OG1 THR A 47 -17.597 53.214 7.484 1.00 30.34 O ATOM 372 CG2 THR A 47 -18.507 53.377 5.287 1.00 28.29 C ATOM 373 N ASP A 48 -16.962 56.063 8.715 1.00 24.65 N ATOM 374 CA ASP A 48 -16.838 56.526 10.109 1.00 24.52 C ATOM 375 C ASP A 48 -16.840 58.045 10.244 1.00 23.23 C ATOM 376 O ASP A 48 -16.774 58.565 11.360 1.00 23.83 O ATOM 377 CB ASP A 48 -15.615 55.905 10.825 1.00 26.01 C ATOM 378 CG ASP A 48 -14.254 56.390 10.275 1.00 27.61 C ATOM 379 OD1 ASP A 48 -14.197 57.272 9.391 1.00 27.15 O ATOM 380 OD2 ASP A 48 -13.216 55.871 10.737 1.00 29.27 O ATOM 381 N GLY A 49 -16.939 58.734 9.110 1.00 20.80 N ATOM 382 CA GLY A 49 -16.991 60.194 9.081 1.00 19.37 C ATOM 383 C GLY A 49 -15.642 60.862 8.852 1.00 17.47 C ATOM 384 O GLY A 49 -15.595 62.080 8.640 1.00 17.93 O ATOM 385 N SER A 50 -14.551 60.098 8.932 1.00 15.02 N ATOM 386 CA SER A 50 -13.218 60.632 8.622 1.00 14.83 C ATOM 387 C SER A 50 -13.079 60.776 7.116 1.00 13.31 C ATOM 388 O SER A 50 -13.900 60.267 6.378 1.00 13.56 O ATOM 389 CB SER A 50 -12.084 59.750 9.173 1.00 15.60 C ATOM 390 OG SER A 50 -12.068 58.484 8.507 1.00 16.75 O ATOM 391 N THR A 51 -12.037 61.482 6.681 1.00 11.74 N ATOM 392 CA THR A 51 -11.808 61.703 5.245 1.00 10.64 C ATOM 393 C THR A 51 -10.341 61.407 4.939 1.00 10.43 C ATOM 394 O THR A 51 -9.455 61.686 5.755 1.00 10.95 O ATOM 395 CB THR A 51 -12.181 63.154 4.869 1.00 11.14 C ATOM 396 OG1 THR A 51 -13.566 63.367 5.171 1.00 12.48 O ATOM 397 CG2 THR A 51 -11.947 63.425 3.380 1.00 12.01 C ATOM 398 N ASP A 52 -10.089 60.831 3.762 1.00 10.61 N ATOM 399 CA ASP A 52 -8.712 60.602 3.274 1.00 11.15 C ATOM 400 C ASP A 52 -8.333 61.701 2.266 1.00 11.76 C ATOM 401 O ASP A 52 -9.142 62.057 1.403 1.00 11.73 O ATOM 402 CB ASP A 52 -8.584 59.247 2.571 1.00 15.02 C ATOM 403 CG ASP A 52 -8.949 58.063 3.447 1.00 18.17 C ATOM 404 OD1 ASP A 52 -8.801 58.122 4.675 1.00 19.87 O ATOM 405 OD2 ASP A 52 -9.366 57.030 2.875 1.00 22.50 O ATOM 406 N TYR A 53 -7.106 62.213 2.375 1.00 9.44 N ATOM 407 CA TYR A 53 -6.672 63.372 1.599 1.00 10.42 C ATOM 408 C TYR A 53 -5.388 63.192 0.814 1.00 10.61 C ATOM 409 O TYR A 53 -4.381 62.745 1.339 1.00 11.51 O ATOM 410 CB TYR A 53 -6.467 64.593 2.497 1.00 10.32 C ATOM 411 CG TYR A 53 -7.719 65.077 3.198 1.00 10.48 C ATOM 412 CD1 TYR A 53 -8.104 64.537 4.427 1.00 10.24 C ATOM 413 CD2 TYR A 53 -8.472 66.123 2.680 1.00 11.45 C ATOM 414 CE1 TYR A 53 -9.225 64.968 5.082 1.00 9.84 C ATOM 415 CE2 TYR A 53 -9.636 66.564 3.346 1.00 11.53 C ATOM 416 CZ TYR A 53 -9.988 65.981 4.555 1.00 11.14 C ATOM 417 OH TYR A 53 -11.126 66.390 5.230 1.00 12.02 O ATOM 418 N GLY A 54 -5.424 63.613 -0.447 1.00 10.64 N ATOM 419 CA GLY A 54 -4.196 63.793 -1.202 1.00 11.18 C ATOM 420 C GLY A 54 -3.668 62.562 -1.923 1.00 9.65 C ATOM 421 O GLY A 54 -4.315 61.516 -2.031 1.00 10.50 O ATOM 422 N ILE A 55 -2.447 62.726 -2.414 1.00 11.87 N ATOM 423 CA ILE A 55 -1.819 61.753 -3.275 1.00 14.03 C ATOM 424 C ILE A 55 -1.606 60.404 -2.568 1.00 13.13 C ATOM 425 O ILE A 55 -1.623 59.368 -3.215 1.00 13.64 O ATOM 426 CB ILE A 55 -0.529 62.337 -3.904 1.00 17.39 C ATOM 427 CG1 ILE A 55 -0.160 61.573 -5.191 1.00 20.23 C ATOM 428 CG2 ILE A 55 0.579 62.437 -2.869 1.00 18.02 C ATOM 429 CD1 ILE A 55 0.543 62.426 -6.212 1.00 20.70 C ATOM 430 N LEU A 56 -1.437 60.418 -1.238 1.00 13.14 N ATOM 431 CA LEU A 56 -1.349 59.162 -0.488 1.00 14.16 C ATOM 432 C LEU A 56 -2.548 58.911 0.466 1.00 14.08 C ATOM 433 O LEU A 56 -2.510 58.039 1.336 1.00 13.97 O ATOM 434 CB LEU A 56 0.003 59.057 0.250 1.00 15.05 C ATOM 435 CG LEU A 56 1.252 58.873 -0.634 1.00 16.42 C ATOM 436 CD1 LEU A 56 2.500 59.123 0.203 1.00 17.59 C ATOM 437 CD2 LEU A 56 1.256 57.470 -1.209 1.00 16.61 C ATOM 438 N GLN A 57 -3.629 59.663 0.270 1.00 12.47 N ATOM 439 CA GLN A 57 -4.902 59.399 0.970 1.00 11.69 C ATOM 440 C GLN A 57 -4.734 59.238 2.481 1.00 11.73 C ATOM 441 O GLN A 57 -5.198 58.251 3.068 1.00 13.30 O ATOM 442 CB GLN A 57 -5.621 58.191 0.361 1.00 12.56 C ATOM 443 CG GLN A 57 -6.167 58.527 -1.034 1.00 12.96 C ATOM 444 CD GLN A 57 -7.325 59.493 -0.998 1.00 12.72 C ATOM 445 OE1 GLN A 57 -8.483 59.075 -0.827 1.00 14.88 O ATOM 446 NE2 GLN A 57 -7.042 60.777 -1.220 1.00 12.87 N ATOM 447 N ILE A 58 -4.104 60.240 3.072 1.00 12.02 N ATOM 448 CA ILE A 58 -3.833 60.289 4.513 1.00 12.96 C ATOM 449 C ILE A 58 -5.115 60.659 5.267 1.00 13.26 C ATOM 450 O ILE A 58 -5.817 61.571 4.879 1.00 12.43 O ATOM 451 CB ILE A 58 -2.686 61.268 4.773 1.00 14.10 C ATOM 452 CG1 ILE A 58 -1.373 60.668 4.231 1.00 14.87 C ATOM 453 CG2 ILE A 58 -2.582 61.612 6.264 1.00 14.55 C ATOM 454 CD1 ILE A 58 -0.277 61.656 4.131 1.00 16.56 C ATOM 455 N ASN A 59 -5.404 59.927 6.343 1.00 13.69 N ATOM 456 CA ASN A 59 -6.706 59.948 7.005 1.00 15.62 C ATOM 457 C ASN A 59 -6.791 60.919 8.187 1.00 13.99 C ATOM 458 O ASN A 59 -5.847 61.023 8.985 1.00 15.39 O ATOM 459 CB ASN A 59 -7.039 58.521 7.459 1.00 18.05 C ATOM 460 CG ASN A 59 -8.420 58.404 8.047 1.00 20.55 C ATOM 461 OD1 ASN A 59 -8.592 58.486 9.254 1.00 23.73 O ATOM 462 ND2 ASN A 59 -9.411 58.222 7.196 1.00 22.37 N ATOM 463 N SER A 60 -7.917 61.628 8.293 1.00 13.83 N ATOM 464 CA SER A 60 -8.114 62.638 9.326 1.00 13.85 C ATOM 465 C SER A 60 -8.327 62.031 10.713 1.00 15.39 C ATOM 466 O SER A 60 -8.295 62.754 11.698 1.00 14.74 O ATOM 467 CB SER A 60 -9.317 63.516 8.965 1.00 13.45 C ATOM 468 OG SER A 60 -10.517 62.774 8.879 1.00 12.42 O ATOM 469 N ARG A 61 -8.542 60.719 10.794 1.00 16.45 N ATOM 470 CA ARG A 61 -8.803 60.089 12.114 1.00 18.31 C ATOM 471 C ARG A 61 -7.602 60.244 13.042 1.00 18.62 C ATOM 472 O ARG A 61 -7.759 60.419 14.270 1.00 19.32 O ATOM 473 CB ARG A 61 -9.181 58.606 11.937 1.00 20.44 C ATOM 474 CG ARG A 61 -9.556 57.833 13.210 1.00 24.42 C ATOM 475 CD ARG A 61 -10.825 58.344 13.859 1.00 27.30 C ATOM 476 NE ARG A 61 -12.044 58.159 13.061 1.00 30.10 N ATOM 477 CZ ARG A 61 -13.207 58.739 13.358 1.00 31.58 C ATOM 478 NH1 ARG A 61 -13.300 59.529 14.426 1.00 32.51 N ATOM 479 NH2 ARG A 61 -14.276 58.544 12.597 1.00 33.11 N ATOM 480 N TRP A 62 -6.405 60.194 12.455 1.00 16.88 N ATOM 481 CA TRP A 62 -5.160 60.238 13.215 1.00 18.63 C ATOM 482 C TRP A 62 -4.208 61.349 12.834 1.00 15.85 C ATOM 483 O TRP A 62 -3.495 61.882 13.680 1.00 16.13 O ATOM 484 CB TRP A 62 -4.383 58.917 13.042 1.00 24.40 C ATOM 485 CG TRP A 62 -5.169 57.684 13.391 1.00 26.44 C ATOM 486 CD1 TRP A 62 -5.782 56.816 12.523 1.00 27.17 C ATOM 487 CD2 TRP A 62 -5.419 57.183 14.705 1.00 27.36 C ATOM 488 NE1 TRP A 62 -6.398 55.802 13.224 1.00 28.08 N ATOM 489 CE2 TRP A 62 -6.190 56.006 14.565 1.00 27.84 C ATOM 490 CE3 TRP A 62 -5.066 57.617 15.988 1.00 27.56 C ATOM 491 CZ2 TRP A 62 -6.614 55.255 15.664 1.00 28.03 C ATOM 492 CZ3 TRP A 62 -5.488 56.867 17.082 1.00 27.50 C ATOM 493 CH2 TRP A 62 -6.257 55.702 16.908 1.00 27.44 C ATOM 494 N TRP A 63 -4.139 61.686 11.542 1.00 13.06 N ATOM 495 CA TRP A 63 -2.943 62.354 11.031 1.00 13.56 C ATOM 496 C TRP A 63 -3.023 63.852 10.722 1.00 12.95 C ATOM 497 O TRP A 63 -2.007 64.533 10.742 1.00 13.81 O ATOM 498 CB TRP A 63 -2.420 61.601 9.787 1.00 14.66 C ATOM 499 CG TRP A 63 -2.224 60.150 10.068 1.00 13.89 C ATOM 500 CD1 TRP A 63 -2.999 59.107 9.645 1.00 15.31 C ATOM 501 CD2 TRP A 63 -1.200 59.588 10.896 1.00 15.34 C ATOM 502 NE1 TRP A 63 -2.497 57.914 10.143 1.00 16.30 N ATOM 503 CE2 TRP A 63 -1.401 58.188 10.921 1.00 14.72 C ATOM 504 CE3 TRP A 63 -0.129 60.132 11.604 1.00 16.38 C ATOM 505 CZ2 TRP A 63 -0.553 57.328 11.632 1.00 16.29 C ATOM 506 CZ3 TRP A 63 0.709 59.276 12.315 1.00 16.49 C ATOM 507 CH2 TRP A 63 0.485 57.893 12.318 1.00 15.40 C ATOM 508 N CYS A 64 -4.218 64.355 10.420 1.00 12.11 N ATOM 509 CA CYS A 64 -4.370 65.762 10.092 1.00 12.66 C ATOM 510 C CYS A 64 -5.666 66.306 10.670 1.00 11.56 C ATOM 511 O CYS A 64 -6.575 65.523 11.014 1.00 11.46 O ATOM 512 CB CYS A 64 -4.316 65.982 8.559 1.00 13.09 C ATOM 513 SG CYS A 64 -5.598 65.146 7.579 1.00 14.64 S ATOM 514 N ASN A 65 -5.756 67.635 10.766 1.00 12.41 N ATOM 515 CA ASN A 65 -7.010 68.262 11.212 1.00 12.88 C ATOM 516 C ASN A 65 -7.909 68.774 10.083 1.00 12.62 C ATOM 517 O ASN A 65 -7.457 69.599 9.276 1.00 13.01 O ATOM 518 CB ASN A 65 -6.759 69.420 12.182 1.00 13.90 C ATOM 519 CG ASN A 65 -8.069 70.048 12.643 1.00 14.80 C ATOM 520 OD1 ASN A 65 -8.944 69.359 13.165 1.00 17.07 O ATOM 521 ND2 ASN A 65 -8.250 71.331 12.354 1.00 17.43 N ATOM 522 N ASP A 66 -9.165 68.323 10.054 1.00 11.93 N ATOM 523 CA ASP A 66 -10.151 68.889 9.115 1.00 12.99 C ATOM 524 C ASP A 66 -11.341 69.523 9.819 1.00 14.03 C ATOM 525 O ASP A 66 -12.249 69.996 9.158 1.00 14.58 O ATOM 526 CB ASP A 66 -10.599 67.890 8.028 1.00 12.84 C ATOM 527 CG ASP A 66 -11.364 66.695 8.573 1.00 13.15 C ATOM 528 OD1 ASP A 66 -11.712 66.670 9.777 1.00 13.09 O ATOM 529 OD2 ASP A 66 -11.626 65.770 7.769 1.00 12.94 O ATOM 530 N GLY A 67 -11.306 69.565 11.144 1.00 14.90 N ATOM 531 CA GLY A 67 -12.391 70.183 11.916 1.00 15.76 C ATOM 532 C GLY A 67 -13.734 69.472 11.942 1.00 17.15 C ATOM 533 O GLY A 67 -14.693 69.985 12.527 1.00 18.74 O ATOM 534 N ARG A 68 -13.824 68.298 11.322 1.00 16.08 N ATOM 535 CA ARG A 68 -15.099 67.567 11.259 1.00 17.82 C ATOM 536 C ARG A 68 -14.962 66.061 11.486 1.00 18.08 C ATOM 537 O ARG A 68 -15.752 65.283 10.944 1.00 19.26 O ATOM 538 CB ARG A 68 -15.781 67.805 9.914 1.00 18.46 C ATOM 539 CG ARG A 68 -14.984 67.316 8.714 1.00 20.37 C ATOM 540 CD ARG A 68 -15.896 67.267 7.517 1.00 21.46 C ATOM 541 NE ARG A 68 -15.525 66.263 6.524 1.00 22.72 N ATOM 542 CZ ARG A 68 -15.981 66.285 5.269 1.00 23.67 C ATOM 543 NH1 ARG A 68 -16.803 67.254 4.914 1.00 24.02 N ATOM 544 NH2 ARG A 68 -15.637 65.356 4.374 1.00 22.10 N ATOM 545 N THR A 69 -13.969 65.649 12.268 1.00 17.17 N ATOM 546 CA THR A 69 -13.805 64.235 12.599 1.00 16.78 C ATOM 547 C THR A 69 -13.757 64.134 14.131 1.00 16.44 C ATOM 548 O THR A 69 -12.684 64.139 14.705 1.00 16.09 O ATOM 549 CB THR A 69 -12.507 63.650 11.975 1.00 16.07 C ATOM 550 OG1 THR A 69 -12.429 64.008 10.581 1.00 16.13 O ATOM 551 CG2 THR A 69 -12.501 62.108 12.080 1.00 16.75 C ATOM 552 N PRO A 70 -14.927 64.102 14.789 1.00 18.41 N ATOM 553 CA PRO A 70 -14.905 64.079 16.266 1.00 20.28 C ATOM 554 C PRO A 70 -13.998 63.044 16.919 1.00 21.34 C ATOM 555 O PRO A 70 -13.960 61.868 16.516 1.00 23.77 O ATOM 556 CB PRO A 70 -16.381 63.866 16.628 1.00 21.28 C ATOM 557 CG PRO A 70 -17.110 64.577 15.481 1.00 20.54 C ATOM 558 CD PRO A 70 -16.303 64.184 14.265 1.00 20.48 C ATOM 559 N GLY A 71 -13.244 63.491 17.924 1.00 22.02 N ATOM 560 CA GLY A 71 -12.418 62.595 18.715 1.00 22.71 C ATOM 561 C GLY A 71 -11.108 62.243 18.040 1.00 22.84 C ATOM 562 O GLY A 71 -10.318 61.457 18.566 1.00 24.76 O ATOM 563 N SER A 72 -10.880 62.810 16.858 1.00 21.87 N ATOM 564 CA SER A 72 -9.657 62.533 16.118 1.00 20.92 C ATOM 565 C SER A 72 -8.415 63.274 16.627 1.00 21.14 C ATOM 566 O SER A 72 -8.491 64.261 17.375 1.00 21.12 O ATOM 567 CB SER A 72 -9.862 62.861 14.640 1.00 20.15 C ATOM 568 OG SER A 72 -9.843 64.267 14.449 1.00 20.26 O ATOM 569 N ARG A 73 -7.263 62.801 16.173 1.00 21.14 N ATOM 570 CA ARG A 73 -5.988 63.422 16.474 1.00 20.92 C ATOM 571 C ARG A 73 -5.426 64.111 15.229 1.00 20.28 C ATOM 572 O ARG A 73 -5.990 64.003 14.137 1.00 19.66 O ATOM 573 CB ARG A 73 -4.985 62.370 16.978 1.00 23.85 C ATOM 574 CG ARG A 73 -5.387 61.680 18.286 1.00 27.21 C ATOM 575 CD ARG A 73 -4.496 62.079 19.471 1.00 30.85 C ATOM 576 NE ARG A 73 -3.379 61.141 19.635 1.00 33.93 N ATOM 577 CZ ARG A 73 -2.337 61.320 20.447 1.00 34.67 C ATOM 578 NH1 ARG A 73 -2.239 62.408 21.194 1.00 35.63 N ATOM 579 NH2 ARG A 73 -1.378 60.406 20.502 1.00 35.99 N ATOM 580 N ASN A 74 -4.309 64.800 15.406 1.00 18.49 N ATOM 581 CA ASN A 74 -3.656 65.533 14.331 1.00 17.24 C ATOM 582 C ASN A 74 -2.163 65.323 14.498 1.00 17.08 C ATOM 583 O ASN A 74 -1.437 66.267 14.740 1.00 18.77 O ATOM 584 CB ASN A 74 -4.006 67.031 14.421 1.00 15.69 C ATOM 585 CG ASN A 74 -3.327 67.888 13.326 1.00 15.50 C ATOM 586 OD1 ASN A 74 -2.676 67.366 12.404 1.00 16.55 O ATOM 587 ND2 ASN A 74 -3.478 69.215 13.440 1.00 16.46 N ATOM 588 N LEU A 75 -1.710 64.080 14.361 1.00 17.43 N ATOM 589 CA LEU A 75 -0.321 63.737 14.697 1.00 19.15 C ATOM 590 C LEU A 75 0.726 64.323 13.751 1.00 19.13 C ATOM 591 O LEU A 75 1.889 64.444 14.130 1.00 20.81 O ATOM 592 CB LEU A 75 -0.117 62.227 14.834 1.00 21.27 C ATOM 593 CG LEU A 75 -1.029 61.523 15.831 1.00 22.70 C ATOM 594 CD1 LEU A 75 -0.853 59.997 15.723 1.00 22.81 C ATOM 595 CD2 LEU A 75 -0.761 62.043 17.240 1.00 23.05 C ATOM 596 N CYS A 76 0.326 64.692 12.531 1.00 18.42 N ATOM 597 CA CYS A 76 1.246 65.369 11.607 1.00 18.35 C ATOM 598 C CYS A 76 1.248 66.892 11.800 1.00 18.69 C ATOM 599 O CYS A 76 2.024 67.607 11.172 1.00 19.04 O ATOM 600 CB CYS A 76 0.940 64.981 10.134 1.00 17.74 C ATOM 601 SG CYS A 76 1.348 63.219 9.763 1.00 19.25 S ATOM 602 N ASN A 77 0.381 67.383 12.682 1.00 19.65 N ATOM 603 CA ASN A 77 0.270 68.810 12.983 1.00 21.09 C ATOM 604 C ASN A 77 0.092 69.701 11.761 1.00 19.57 C ATOM 605 O ASN A 77 0.812 70.678 11.571 1.00 19.11 O ATOM 606 CB ASN A 77 1.447 69.287 13.834 1.00 24.61 C ATOM 607 CG ASN A 77 1.242 68.986 15.304 1.00 27.74 C ATOM 608 OD1 ASN A 77 0.479 69.681 15.992 1.00 30.94 O ATOM 609 ND2 ASN A 77 1.922 67.964 15.798 1.00 29.12 N ATOM 610 N ILE A 78 -0.895 69.350 10.942 1.00 17.43 N ATOM 611 CA ILE A 78 -1.196 70.081 9.723 1.00 16.94 C ATOM 612 C ILE A 78 -2.698 70.071 9.464 1.00 15.10 C ATOM 613 O ILE A 78 -3.402 69.119 9.845 1.00 13.78 O ATOM 614 CB ILE A 78 -0.537 69.402 8.488 1.00 17.94 C ATOM 615 CG1 ILE A 78 -0.893 67.913 8.454 1.00 17.59 C ATOM 616 CG2 ILE A 78 0.981 69.675 8.423 1.00 18.87 C ATOM 617 CD1 ILE A 78 -0.392 67.164 7.222 1.00 19.44 C ATOM 618 N PRO A 79 -3.198 71.115 8.781 1.00 14.38 N ATOM 619 CA PRO A 79 -4.569 71.004 8.268 1.00 14.55 C ATOM 620 C PRO A 79 -4.607 70.017 7.102 1.00 13.27 C ATOM 621 O PRO A 79 -3.658 69.939 6.327 1.00 13.14 O ATOM 622 CB PRO A 79 -4.879 72.421 7.785 1.00 15.52 C ATOM 623 CG PRO A 79 -3.543 73.011 7.473 1.00 16.72 C ATOM 624 CD PRO A 79 -2.574 72.413 8.457 1.00 15.67 C ATOM 625 N CYS A 80 -5.669 69.225 7.008 1.00 12.71 N ATOM 626 CA CYS A 80 -5.763 68.231 5.951 1.00 12.49 C ATOM 627 C CYS A 80 -5.673 68.913 4.576 1.00 12.98 C ATOM 628 O CYS A 80 -5.202 68.318 3.615 1.00 13.27 O ATOM 629 CB CYS A 80 -7.069 67.446 6.093 1.00 13.01 C ATOM 630 SG CYS A 80 -7.191 66.461 7.652 1.00 14.54 S ATOM 631 N SER A 81 -6.124 70.163 4.489 1.00 13.11 N ATOM 632 CA SER A 81 -6.017 70.899 3.224 1.00 14.98 C ATOM 633 C SER A 81 -4.574 70.966 2.688 1.00 14.71 C ATOM 634 O SER A 81 -4.355 70.986 1.468 1.00 16.45 O ATOM 635 CB SER A 81 -6.584 72.307 3.377 1.00 16.56 C ATOM 636 OG SER A 81 -5.824 73.066 4.314 1.00 18.69 O ATOM 637 N ALA A 82 -3.595 71.002 3.588 1.00 15.57 N ATOM 638 CA ALA A 82 -2.173 71.024 3.197 1.00 15.29 C ATOM 639 C ALA A 82 -1.773 69.796 2.391 1.00 15.16 C ATOM 640 O ALA A 82 -0.765 69.806 1.654 1.00 16.35 O ATOM 641 CB ALA A 82 -1.282 71.143 4.420 1.00 16.44 C ATOM 642 N LEU A 83 -2.532 68.721 2.557 1.00 13.66 N ATOM 643 CA LEU A 83 -2.237 67.468 1.881 1.00 15.66 C ATOM 644 C LEU A 83 -2.784 67.455 0.445 1.00 16.18 C ATOM 645 O LEU A 83 -2.654 66.450 -0.260 1.00 17.70 O ATOM 646 CB LEU A 83 -2.803 66.297 2.680 1.00 16.71 C ATOM 647 CG LEU A 83 -2.206 66.150 4.081 1.00 17.20 C ATOM 648 CD1 LEU A 83 -3.016 65.149 4.888 1.00 18.40 C ATOM 649 CD2 LEU A 83 -0.744 65.722 3.983 1.00 19.30 C ATOM 650 N LEU A 84 -3.384 68.570 0.006 1.00 15.53 N ATOM 651 CA LEU A 84 -3.998 68.617 -1.339 1.00 14.69 C ATOM 652 C LEU A 84 -3.199 69.512 -2.287 1.00 17.37 C ATOM 653 O LEU A 84 -3.591 69.717 -3.445 1.00 19.03 O ATOM 654 CB LEU A 84 -5.462 69.123 -1.264 1.00 16.10 C ATOM 655 CG LEU A 84 -6.451 68.266 -0.458 1.00 15.74 C ATOM 656 CD1 LEU A 84 -7.869 68.870 -0.474 1.00 16.86 C ATOM 657 CD2 LEU A 84 -6.511 66.846 -0.934 1.00 15.59 C ATOM 658 N SER A 85 -2.067 70.015 -1.797 1.00 17.36 N ATOM 659 CA SER A 85 -1.238 70.936 -2.567 1.00 18.80 C ATOM 660 C SER A 85 -0.564 70.312 -3.802 1.00 19.05 C ATOM 661 O SER A 85 -0.303 69.108 -3.850 1.00 18.33 O ATOM 662 CB SER A 85 -0.187 71.557 -1.655 1.00 20.54 C ATOM 663 OG SER A 85 0.809 72.203 -2.431 1.00 23.69 O ATOM 664 N SER A 86 -0.266 71.131 -4.809 1.00 19.23 N ATOM 665 CA SER A 86 0.513 70.621 -5.939 1.00 20.64 C ATOM 666 C SER A 86 1.942 70.197 -5.529 1.00 20.95 C ATOM 667 O SER A 86 2.537 69.312 -6.148 1.00 22.29 O ATOM 668 CB SER A 86 0.549 71.651 -7.067 1.00 21.68 C ATOM 669 OG SER A 86 1.199 72.826 -6.642 1.00 25.70 O ATOM 670 N ASP A 87 2.474 70.844 -4.496 1.00 19.76 N ATOM 671 CA ASP A 87 3.769 70.526 -3.897 1.00 21.59 C ATOM 672 C ASP A 87 3.538 69.410 -2.872 1.00 19.51 C ATOM 673 O ASP A 87 2.690 69.553 -1.992 1.00 20.14 O ATOM 674 CB ASP A 87 4.276 71.807 -3.228 1.00 24.58 C ATOM 675 CG ASP A 87 5.622 71.662 -2.578 1.00 27.17 C ATOM 676 OD1 ASP A 87 6.001 70.548 -2.162 1.00 27.07 O ATOM 677 OD2 ASP A 87 6.310 72.708 -2.461 1.00 29.57 O ATOM 678 N ILE A 88 4.273 68.304 -2.993 1.00 17.15 N ATOM 679 CA ILE A 88 4.000 67.112 -2.170 1.00 16.69 C ATOM 680 C ILE A 88 4.715 67.057 -0.824 1.00 16.30 C ATOM 681 O ILE A 88 4.594 66.060 -0.104 1.00 15.50 O ATOM 682 CB ILE A 88 4.267 65.779 -2.929 1.00 16.06 C ATOM 683 CG1 ILE A 88 5.772 65.544 -3.166 1.00 16.10 C ATOM 684 CG2 ILE A 88 3.452 65.726 -4.230 1.00 17.99 C ATOM 685 CD1 ILE A 88 6.101 64.134 -3.639 1.00 16.76 C ATOM 686 N THR A 89 5.443 68.117 -0.467 1.00 16.90 N ATOM 687 CA THR A 89 6.231 68.124 0.783 1.00 18.02 C ATOM 688 C THR A 89 5.419 67.675 2.007 1.00 17.45 C ATOM 689 O THR A 89 5.845 66.784 2.730 1.00 16.90 O ATOM 690 CB THR A 89 6.883 69.500 1.068 1.00 19.24 C ATOM 691 OG1 THR A 89 7.727 69.866 -0.029 1.00 21.44 O ATOM 692 CG2 THR A 89 7.710 69.453 2.343 1.00 19.76 C ATOM 693 N ALA A 90 4.247 68.272 2.233 1.00 16.45 N ATOM 694 CA ALA A 90 3.451 67.922 3.424 1.00 15.89 C ATOM 695 C ALA A 90 3.009 66.459 3.426 1.00 15.22 C ATOM 696 O ALA A 90 3.075 65.770 4.465 1.00 14.74 O ATOM 697 CB ALA A 90 2.225 68.846 3.568 1.00 16.99 C ATOM 698 N SER A 91 2.588 65.967 2.266 1.00 14.17 N ATOM 699 CA SER A 91 2.175 64.561 2.177 1.00 13.66 C ATOM 700 C SER A 91 3.321 63.598 2.469 1.00 13.80 C ATOM 701 O SER A 91 3.133 62.591 3.160 1.00 14.31 O ATOM 702 CB SER A 91 1.545 64.251 0.811 1.00 14.55 C ATOM 703 OG SER A 91 0.223 64.788 0.742 1.00 13.78 O ATOM 704 N VAL A 92 4.507 63.908 1.945 1.00 14.18 N ATOM 705 CA VAL A 92 5.677 63.058 2.155 1.00 14.13 C ATOM 706 C VAL A 92 6.088 63.063 3.621 1.00 13.98 C ATOM 707 O VAL A 92 6.371 61.998 4.192 1.00 13.91 O ATOM 708 CB VAL A 92 6.887 63.509 1.284 1.00 14.59 C ATOM 709 CG1 VAL A 92 8.167 62.781 1.695 1.00 15.39 C ATOM 710 CG2 VAL A 92 6.598 63.248 -0.179 1.00 16.12 C ATOM 711 N ASN A 93 6.114 64.241 4.242 1.00 14.56 N ATOM 712 CA ASN A 93 6.484 64.316 5.655 1.00 16.03 C ATOM 713 C ASN A 93 5.546 63.524 6.537 1.00 15.25 C ATOM 714 O ASN A 93 5.971 62.851 7.486 1.00 16.01 O ATOM 715 CB ASN A 93 6.545 65.769 6.122 1.00 19.33 C ATOM 716 CG ASN A 93 7.713 66.513 5.513 1.00 22.24 C ATOM 717 OD1 ASN A 93 8.630 65.898 4.970 1.00 24.04 O ATOM 718 ND2 ASN A 93 7.674 67.843 5.576 1.00 23.73 N ATOM 719 N CYS A 94 4.257 63.606 6.230 1.00 14.72 N ATOM 720 CA CYS A 94 3.290 62.871 7.014 1.00 15.69 C ATOM 721 C CYS A 94 3.403 61.362 6.761 1.00 13.54 C ATOM 722 O CYS A 94 3.328 60.562 7.685 1.00 14.06 O ATOM 723 CB CYS A 94 1.896 63.395 6.700 1.00 16.68 C ATOM 724 SG CYS A 94 0.619 62.886 7.857 1.00 18.37 S ATOM 725 N ALA A 95 3.606 60.977 5.502 1.00 13.14 N ATOM 726 CA ALA A 95 3.794 59.572 5.157 1.00 12.24 C ATOM 727 C ALA A 95 4.989 58.948 5.882 1.00 11.59 C ATOM 728 O ALA A 95 4.950 57.782 6.270 1.00 12.03 O ATOM 729 CB ALA A 95 3.931 59.401 3.650 1.00 12.58 C ATOM 730 N LYS A 96 6.051 59.721 6.071 1.00 11.77 N ATOM 731 CA LYS A 96 7.195 59.228 6.843 1.00 12.64 C ATOM 732 C LYS A 96 6.783 58.897 8.282 1.00 13.21 C ATOM 733 O LYS A 96 7.206 57.873 8.837 1.00 13.95 O ATOM 734 CB LYS A 96 8.353 60.251 6.787 1.00 13.89 C ATOM 735 CG LYS A 96 9.020 60.344 5.408 1.00 13.66 C ATOM 736 CD LYS A 96 10.114 61.435 5.436 1.00 14.48 C ATOM 737 CE LYS A 96 10.779 61.580 4.083 1.00 16.98 C ATOM 738 NZ LYS A 96 11.791 62.680 4.112 1.00 19.01 N ATOM 739 N LYS A 97 5.939 59.736 8.884 1.00 14.22 N ATOM 740 CA LYS A 97 5.470 59.461 10.248 1.00 14.58 C ATOM 741 C LYS A 97 4.595 58.200 10.254 1.00 14.36 C ATOM 742 O LYS A 97 4.710 57.337 11.142 1.00 15.02 O ATOM 743 CB LYS A 97 4.676 60.653 10.792 1.00 17.03 C ATOM 744 CG LYS A 97 5.499 61.915 11.040 1.00 20.02 C ATOM 745 CD LYS A 97 4.593 63.006 11.605 1.00 23.94 C ATOM 746 CE LYS A 97 5.370 64.253 12.027 1.00 25.62 C ATOM 747 NZ LYS A 97 5.652 65.150 10.864 1.00 27.75 N ATOM 748 N ILE A 98 3.746 58.073 9.241 1.00 11.95 N ATOM 749 CA ILE A 98 2.786 56.982 9.213 1.00 12.97 C ATOM 750 C ILE A 98 3.493 55.651 9.101 1.00 11.58 C ATOM 751 O ILE A 98 3.160 54.709 9.804 1.00 12.43 O ATOM 752 CB ILE A 98 1.752 57.142 8.079 1.00 12.87 C ATOM 753 CG1 ILE A 98 0.890 58.392 8.316 1.00 14.34 C ATOM 754 CG2 ILE A 98 0.887 55.883 7.948 1.00 14.46 C ATOM 755 CD1 ILE A 98 0.035 58.776 7.109 1.00 14.41 C ATOM 756 N VAL A 99 4.469 55.578 8.195 1.00 11.70 N ATOM 757 CA VAL A 99 5.155 54.327 7.903 1.00 12.81 C ATOM 758 C VAL A 99 6.119 53.910 9.011 1.00 14.76 C ATOM 759 O VAL A 99 6.592 52.748 9.037 1.00 15.34 O ATOM 760 CB VAL A 99 5.881 54.427 6.549 1.00 11.53 C ATOM 761 CG1 VAL A 99 7.107 55.351 6.626 1.00 13.87 C ATOM 762 CG2 VAL A 99 6.220 53.034 5.999 1.00 13.93 C ATOM 763 N SER A 100 6.375 54.849 9.919 1.00 15.45 N ATOM 764 CA SER A 100 7.184 54.600 11.114 1.00 18.81 C ATOM 765 C SER A 100 6.361 54.164 12.323 1.00 20.90 C ATOM 766 O SER A 100 6.921 53.904 13.386 1.00 22.18 O ATOM 767 CB SER A 100 7.981 55.855 11.468 1.00 18.19 C ATOM 768 OG SER A 100 8.853 56.206 10.408 1.00 20.42 O ATOM 769 N ASP A 101 5.045 54.072 12.164 1.00 22.18 N ATOM 770 CA ASP A 101 4.129 53.942 13.302 1.00 23.44 C ATOM 771 C ASP A 101 3.995 52.510 13.825 1.00 23.05 C ATOM 772 O ASP A 101 3.437 52.298 14.912 1.00 25.22 O ATOM 773 CB ASP A 101 2.756 54.522 12.940 1.00 24.92 C ATOM 774 CG ASP A 101 1.854 54.713 14.149 1.00 27.00 C ATOM 775 OD1 ASP A 101 2.252 55.430 15.088 1.00 27.85 O ATOM 776 OD2 ASP A 101 0.736 54.165 14.148 1.00 28.87 O ATOM 777 N GLY A 102 4.506 51.532 13.078 1.00 21.46 N ATOM 778 CA GLY A 102 4.545 50.146 13.579 1.00 20.84 C ATOM 779 C GLY A 102 4.191 49.076 12.568 1.00 20.34 C ATOM 780 O GLY A 102 4.737 47.961 12.606 1.00 21.50 O ATOM 781 N ASN A 103 3.282 49.399 11.649 1.00 18.87 N ATOM 782 CA ASN A 103 2.842 48.402 10.665 1.00 16.27 C ATOM 783 C ASN A 103 3.369 48.674 9.246 1.00 15.02 C ATOM 784 O ASN A 103 2.953 48.028 8.292 1.00 14.02 O ATOM 785 CB ASN A 103 1.324 48.245 10.677 1.00 19.71 C ATOM 786 CG ASN A 103 0.802 47.756 12.027 1.00 23.03 C ATOM 787 OD1 ASN A 103 1.368 46.852 12.638 1.00 25.23 O ATOM 788 ND2 ASN A 103 -0.280 48.363 12.494 1.00 25.39 N ATOM 789 N GLY A 104 4.320 49.591 9.128 1.00 13.29 N ATOM 790 CA GLY A 104 4.947 49.815 7.832 1.00 11.91 C ATOM 791 C GLY A 104 3.896 50.289 6.850 1.00 11.33 C ATOM 792 O GLY A 104 2.976 51.010 7.218 1.00 12.41 O ATOM 793 N MET A 105 4.040 49.878 5.593 1.00 10.61 N ATOM 794 CA MET A 105 3.122 50.374 4.556 1.00 10.76 C ATOM 795 C MET A 105 1.755 49.678 4.599 1.00 10.73 C ATOM 796 O MET A 105 0.870 50.054 3.836 1.00 10.10 O ATOM 797 CB MET A 105 3.746 50.303 3.148 1.00 10.81 C ATOM 798 CG MET A 105 4.899 51.279 2.912 1.00 10.88 C ATOM 799 SD MET A 105 5.304 51.531 1.148 1.00 12.42 S ATOM 800 CE MET A 105 3.788 52.348 0.552 1.00 12.93 C ATOM 801 N ASN A 106 1.562 48.699 5.494 1.00 10.20 N ATOM 802 CA ASN A 106 0.242 48.097 5.659 1.00 10.99 C ATOM 803 C ASN A 106 -0.805 49.126 6.111 1.00 10.71 C ATOM 804 O ASN A 106 -2.010 48.857 6.030 1.00 14.50 O ATOM 805 CB ASN A 106 0.284 46.897 6.607 1.00 11.79 C ATOM 806 CG ASN A 106 1.137 45.767 6.079 1.00 13.72 C ATOM 807 OD1 ASN A 106 0.771 45.087 5.103 1.00 14.01 O ATOM 808 ND2 ASN A 106 2.290 45.554 6.711 1.00 13.97 N ATOM 809 N ALA A 107 -0.348 50.292 6.583 1.00 11.11 N ATOM 810 CA ALA A 107 -1.232 51.411 6.912 1.00 11.97 C ATOM 811 C ALA A 107 -2.066 51.865 5.714 1.00 13.55 C ATOM 812 O ALA A 107 -3.150 52.448 5.868 1.00 15.61 O ATOM 813 CB ALA A 107 -0.441 52.575 7.448 1.00 13.04 C ATOM 814 N TRP A 108 -1.553 51.605 4.519 1.00 11.95 N ATOM 815 CA TRP A 108 -2.268 51.923 3.289 1.00 12.14 C ATOM 816 C TRP A 108 -2.912 50.654 2.768 1.00 12.95 C ATOM 817 O TRP A 108 -2.243 49.773 2.240 1.00 12.66 O ATOM 818 CB TRP A 108 -1.326 52.528 2.251 1.00 11.75 C ATOM 819 CG TRP A 108 -0.912 53.919 2.556 1.00 11.29 C ATOM 820 CD1 TRP A 108 -1.609 55.080 2.265 1.00 12.17 C ATOM 821 CD2 TRP A 108 0.280 54.334 3.232 1.00 10.76 C ATOM 822 NE1 TRP A 108 -0.909 56.177 2.704 1.00 11.95 N ATOM 823 CE2 TRP A 108 0.248 55.752 3.307 1.00 11.88 C ATOM 824 CE3 TRP A 108 1.362 53.655 3.806 1.00 11.60 C ATOM 825 CZ2 TRP A 108 1.261 56.495 3.903 1.00 12.21 C ATOM 826 CZ3 TRP A 108 2.394 54.418 4.394 1.00 11.55 C ATOM 827 CH2 TRP A 108 2.316 55.823 4.449 1.00 12.35 C ATOM 828 N VAL A 109 -4.230 50.596 2.899 1.00 14.35 N ATOM 829 CA VAL A 109 -4.980 49.401 2.530 1.00 16.36 C ATOM 830 C VAL A 109 -4.752 49.034 1.060 1.00 14.89 C ATOM 831 O VAL A 109 -4.577 47.849 0.735 1.00 16.58 O ATOM 832 CB VAL A 109 -6.475 49.584 2.854 1.00 18.15 C ATOM 833 CG1 VAL A 109 -7.311 48.498 2.178 1.00 19.71 C ATOM 834 CG2 VAL A 109 -6.663 49.564 4.370 1.00 21.24 C ATOM 835 N ALA A 110 -4.716 50.038 0.192 1.00 15.18 N ATOM 836 CA ALA A 110 -4.501 49.786 -1.223 1.00 14.34 C ATOM 837 C ALA A 110 -3.107 49.217 -1.469 1.00 13.91 C ATOM 838 O ALA A 110 -2.935 48.395 -2.357 1.00 15.14 O ATOM 839 CB ALA A 110 -4.723 51.035 -2.047 1.00 16.33 C ATOM 840 N TRP A 111 -2.108 49.662 -0.709 1.00 12.56 N ATOM 841 CA TRP A 111 -0.770 49.084 -0.860 1.00 11.01 C ATOM 842 C TRP A 111 -0.799 47.596 -0.481 1.00 11.63 C ATOM 843 O TRP A 111 -0.282 46.749 -1.212 1.00 12.25 O ATOM 844 CB TRP A 111 0.285 49.821 -0.017 1.00 11.70 C ATOM 845 CG TRP A 111 1.659 49.167 -0.138 1.00 10.17 C ATOM 846 CD1 TRP A 111 2.593 49.401 -1.116 1.00 11.20 C ATOM 847 CD2 TRP A 111 2.228 48.177 0.734 1.00 10.76 C ATOM 848 NE1 TRP A 111 3.707 48.608 -0.900 1.00 11.23 N ATOM 849 CE2 TRP A 111 3.508 47.853 0.227 1.00 11.16 C ATOM 850 CE3 TRP A 111 1.783 47.534 1.900 1.00 10.80 C ATOM 851 CZ2 TRP A 111 4.348 46.914 0.836 1.00 12.18 C ATOM 852 CZ3 TRP A 111 2.619 46.590 2.505 1.00 12.19 C ATOM 853 CH2 TRP A 111 3.887 46.287 1.969 1.00 11.74 C ATOM 854 N ARG A 112 -1.385 47.265 0.667 1.00 13.24 N ATOM 855 CA ARG A 112 -1.433 45.864 1.089 1.00 14.69 C ATOM 856 C ARG A 112 -2.136 44.992 0.045 1.00 12.92 C ATOM 857 O ARG A 112 -1.683 43.894 -0.279 1.00 13.82 O ATOM 858 CB ARG A 112 -2.128 45.712 2.456 1.00 16.46 C ATOM 859 CG ARG A 112 -2.065 44.292 2.987 1.00 19.63 C ATOM 860 CD ARG A 112 -2.876 44.100 4.275 1.00 21.90 C ATOM 861 NE ARG A 112 -3.230 45.376 4.879 1.00 27.60 N ATOM 862 CZ ARG A 112 -4.469 45.843 5.046 1.00 29.19 C ATOM 863 NH1 ARG A 112 -5.538 45.143 4.655 1.00 30.03 N ATOM 864 NH2 ARG A 112 -4.627 47.034 5.623 1.00 30.76 N ATOM 865 N ASN A 113 -3.248 45.490 -0.491 1.00 12.95 N ATOM 866 CA ASN A 113 -4.067 44.657 -1.380 1.00 12.58 C ATOM 867 C ASN A 113 -3.629 44.667 -2.839 1.00 13.37 C ATOM 868 O ASN A 113 -3.968 43.741 -3.571 1.00 13.61 O ATOM 869 CB ASN A 113 -5.547 45.039 -1.263 1.00 12.94 C ATOM 870 CG ASN A 113 -6.122 44.680 0.079 1.00 14.06 C ATOM 871 OD1 ASN A 113 -5.701 43.699 0.687 1.00 15.66 O ATOM 872 ND2 ASN A 113 -7.110 45.457 0.535 1.00 15.55 N ATOM 873 N ARG A 114 -2.870 45.677 -3.271 1.00 13.44 N ATOM 874 CA ARG A 114 -2.616 45.827 -4.714 1.00 13.37 C ATOM 875 C ARG A 114 -1.147 45.971 -5.075 1.00 14.47 C ATOM 876 O ARG A 114 -0.775 45.827 -6.250 1.00 16.67 O ATOM 877 CB ARG A 114 -3.434 46.991 -5.277 1.00 12.13 C ATOM 878 CG ARG A 114 -4.900 46.858 -4.940 1.00 12.26 C ATOM 879 CD ARG A 114 -5.710 48.004 -5.485 1.00 12.21 C ATOM 880 NE ARG A 114 -5.870 47.969 -6.941 1.00 11.80 N ATOM 881 CZ ARG A 114 -6.641 48.838 -7.603 1.00 13.65 C ATOM 882 NH1 ARG A 114 -7.303 49.785 -6.951 1.00 12.94 N ATOM 883 NH2 ARG A 114 -6.752 48.779 -8.919 1.00 13.71 N ATOM 884 N CYS A 115 -0.306 46.235 -4.077 1.00 13.56 N ATOM 885 CA CYS A 115 1.121 46.486 -4.318 1.00 13.99 C ATOM 886 C CYS A 115 2.038 45.482 -3.619 1.00 14.07 C ATOM 887 O CYS A 115 3.043 45.046 -4.203 1.00 14.60 O ATOM 888 CB CYS A 115 1.512 47.891 -3.851 1.00 14.18 C ATOM 889 SG CYS A 115 0.660 49.232 -4.733 1.00 16.23 S ATOM 890 N LYS A 116 1.723 45.161 -2.354 1.00 13.35 N ATOM 891 CA LYS A 116 2.548 44.263 -1.560 1.00 14.28 C ATOM 892 C LYS A 116 2.833 42.955 -2.296 1.00 14.93 C ATOM 893 O LYS A 116 1.905 42.304 -2.770 1.00 14.72 O ATOM 894 CB LYS A 116 1.835 43.977 -0.228 1.00 13.52 C ATOM 895 CG LYS A 116 2.646 43.205 0.795 1.00 14.25 C ATOM 896 CD LYS A 116 1.816 43.046 2.082 1.00 13.73 C ATOM 897 CE LYS A 116 2.643 42.452 3.214 1.00 14.21 C ATOM 898 NZ LYS A 116 1.851 42.376 4.491 1.00 14.76 N ATOM 899 N GLY A 117 4.116 42.601 -2.399 1.00 16.72 N ATOM 900 CA GLY A 117 4.520 41.321 -2.990 1.00 18.60 C ATOM 901 C GLY A 117 4.502 41.254 -4.514 1.00 20.05 C ATOM 902 O GLY A 117 4.820 40.207 -5.106 1.00 22.40 O ATOM 903 N THR A 118 4.095 42.342 -5.153 1.00 18.16 N ATOM 904 CA THR A 118 4.086 42.420 -6.620 1.00 16.57 C ATOM 905 C THR A 118 5.402 43.000 -7.152 1.00 17.94 C ATOM 906 O THR A 118 6.249 43.487 -6.390 1.00 17.36 O ATOM 907 CB THR A 118 2.881 43.276 -7.157 1.00 15.15 C ATOM 908 OG1 THR A 118 3.151 44.668 -6.935 1.00 14.62 O ATOM 909 CG2 THR A 118 1.550 42.866 -6.508 1.00 15.13 C ATOM 910 N ASP A 119 5.582 42.964 -8.471 1.00 18.39 N ATOM 911 CA ASP A 119 6.767 43.576 -9.086 1.00 20.59 C ATOM 912 C ASP A 119 6.696 45.109 -9.093 1.00 19.74 C ATOM 913 O ASP A 119 6.443 45.725 -10.126 1.00 20.64 O ATOM 914 CB ASP A 119 6.906 43.043 -10.523 1.00 22.73 C ATOM 915 CG ASP A 119 8.114 43.618 -11.270 1.00 24.80 C ATOM 916 OD1 ASP A 119 9.015 44.217 -10.640 1.00 25.75 O ATOM 917 OD2 ASP A 119 8.163 43.448 -12.513 1.00 26.40 O ATOM 918 N VAL A 120 6.937 45.737 -7.943 1.00 18.37 N ATOM 919 CA VAL A 120 6.775 47.184 -7.815 1.00 18.62 C ATOM 920 C VAL A 120 7.824 47.996 -8.588 1.00 18.15 C ATOM 921 O VAL A 120 7.618 49.176 -8.865 1.00 18.02 O ATOM 922 CB VAL A 120 6.734 47.622 -6.323 1.00 19.57 C ATOM 923 CG1 VAL A 120 5.539 46.976 -5.622 1.00 18.39 C ATOM 924 CG2 VAL A 120 8.028 47.259 -5.623 1.00 19.51 C ATOM 925 N GLN A 121 8.947 47.378 -8.936 1.00 20.06 N ATOM 926 CA GLN A 121 9.957 48.082 -9.725 1.00 20.45 C ATOM 927 C GLN A 121 9.400 48.518 -11.082 1.00 19.22 C ATOM 928 O GLN A 121 9.881 49.496 -11.686 1.00 19.37 O ATOM 929 CB GLN A 121 11.192 47.198 -9.937 1.00 23.47 C ATOM 930 CG GLN A 121 12.401 47.938 -10.498 1.00 27.14 C ATOM 931 CD GLN A 121 12.395 48.024 -12.013 1.00 29.17 C ATOM 932 OE1 GLN A 121 11.923 47.111 -12.694 1.00 31.04 O ATOM 933 NE2 GLN A 121 12.917 49.122 -12.550 1.00 30.40 N ATOM 934 N ALA A 122 8.391 47.801 -11.563 1.00 17.65 N ATOM 935 CA ALA A 122 7.724 48.187 -12.815 1.00 17.34 C ATOM 936 C ALA A 122 7.291 49.659 -12.792 1.00 17.45 C ATOM 937 O ALA A 122 7.273 50.325 -13.826 1.00 18.45 O ATOM 938 CB ALA A 122 6.534 47.291 -13.108 1.00 17.48 C ATOM 939 N TRP A 123 6.949 50.177 -11.607 1.00 16.12 N ATOM 940 CA TRP A 123 6.452 51.547 -11.477 1.00 16.94 C ATOM 941 C TRP A 123 7.492 52.631 -11.681 1.00 17.79 C ATOM 942 O TRP A 123 7.149 53.793 -11.898 1.00 18.51 O ATOM 943 CB TRP A 123 5.736 51.737 -10.126 1.00 17.07 C ATOM 944 CG TRP A 123 4.486 50.923 -10.074 1.00 17.11 C ATOM 945 CD1 TRP A 123 4.322 49.709 -9.470 1.00 18.08 C ATOM 946 CD2 TRP A 123 3.232 51.243 -10.688 1.00 17.35 C ATOM 947 NE1 TRP A 123 3.040 49.243 -9.674 1.00 17.43 N ATOM 948 CE2 TRP A 123 2.350 50.161 -10.424 1.00 17.58 C ATOM 949 CE3 TRP A 123 2.773 52.323 -11.452 1.00 18.22 C ATOM 950 CZ2 TRP A 123 1.023 50.153 -10.863 1.00 17.75 C ATOM 951 CZ3 TRP A 123 1.453 52.302 -11.925 1.00 18.19 C ATOM 952 CH2 TRP A 123 0.602 51.215 -11.628 1.00 17.78 C ATOM 953 N ILE A 124 8.768 52.259 -11.627 1.00 18.77 N ATOM 954 CA ILE A 124 9.811 53.244 -11.883 1.00 19.57 C ATOM 955 C ILE A 124 10.631 52.900 -13.128 1.00 21.20 C ATOM 956 O ILE A 124 11.653 53.551 -13.400 1.00 21.64 O ATOM 957 CB ILE A 124 10.714 53.476 -10.655 1.00 19.66 C ATOM 958 CG1 ILE A 124 11.391 52.186 -10.214 1.00 20.06 C ATOM 959 CG2 ILE A 124 9.879 54.042 -9.508 1.00 19.57 C ATOM 960 CD1 ILE A 124 12.639 52.417 -9.345 1.00 21.86 C ATOM 961 N ARG A 125 10.183 51.891 -13.876 1.00 23.04 N ATOM 962 CA ARG A 125 10.935 51.442 -15.052 1.00 26.19 C ATOM 963 C ARG A 125 10.912 52.534 -16.103 1.00 25.82 C ATOM 964 O ARG A 125 9.904 53.210 -16.282 1.00 25.63 O ATOM 965 CB ARG A 125 10.379 50.125 -15.606 1.00 28.45 C ATOM 966 CG ARG A 125 8.964 50.208 -16.137 1.00 32.40 C ATOM 967 CD ARG A 125 8.908 50.741 -17.571 1.00 35.12 C ATOM 968 NE ARG A 125 7.545 50.801 -18.106 1.00 37.66 N ATOM 969 CZ ARG A 125 6.433 50.909 -17.374 1.00 38.75 C ATOM 970 NH1 ARG A 125 6.494 50.988 -16.050 1.00 39.76 N ATOM 971 NH2 ARG A 125 5.247 50.955 -17.969 1.00 39.40 N ATOM 972 N GLY A 126 12.043 52.741 -16.770 1.00 27.39 N ATOM 973 CA GLY A 126 12.123 53.774 -17.787 1.00 28.10 C ATOM 974 C GLY A 126 12.310 55.191 -17.275 1.00 28.74 C ATOM 975 O GLY A 126 12.489 56.116 -18.069 1.00 30.34 O ATOM 976 N CYS A 127 12.278 55.389 -15.964 1.00 28.33 N ATOM 977 CA CYS A 127 12.366 56.748 -15.433 1.00 27.84 C ATOM 978 C CYS A 127 13.808 57.202 -15.217 1.00 28.98 C ATOM 979 O CYS A 127 14.623 56.488 -14.631 1.00 27.02 O ATOM 980 CB CYS A 127 11.589 56.888 -14.119 1.00 27.10 C ATOM 981 SG CYS A 127 9.843 56.378 -14.157 1.00 26.07 S ATOM 982 N ARG A 128 14.102 58.412 -15.680 1.00 31.12 N ATOM 983 CA ARG A 128 15.372 59.050 -15.389 1.00 33.89 C ATOM 984 C ARG A 128 15.273 59.576 -13.967 1.00 35.93 C ATOM 985 O ARG A 128 14.568 60.557 -13.720 1.00 36.88 O ATOM 986 CB ARG A 128 15.602 60.184 -16.387 1.00 34.50 C ATOM 987 CG ARG A 128 16.908 60.930 -16.223 1.00 35.93 C ATOM 988 CD ARG A 128 17.243 61.751 -17.467 1.00 37.07 C ATOM 989 NE ARG A 128 16.115 62.533 -17.969 1.00 39.50 N ATOM 990 CZ ARG A 128 15.663 62.497 -19.223 1.00 40.44 C ATOM 991 NH1 ARG A 128 16.245 61.727 -20.134 1.00 41.41 N ATOM 992 NH2 ARG A 128 14.628 63.248 -19.573 1.00 41.31 N ATOM 993 N LEU A 129 15.939 58.915 -13.021 1.00 38.03 N ATOM 994 CA LEU A 129 15.798 59.294 -11.608 1.00 40.25 C ATOM 995 C LEU A 129 16.904 60.213 -11.091 1.00 41.59 C ATOM 996 O LEU A 129 16.939 61.396 -11.457 1.00 42.59 O ATOM 997 CB LEU A 129 15.650 58.064 -10.703 1.00 40.77 C ATOM 998 CG LEU A 129 14.245 57.480 -10.517 1.00 41.65 C ATOM 999 CD1 LEU A 129 13.169 58.576 -10.564 1.00 41.72 C ATOM 1000 CD2 LEU A 129 13.963 56.388 -11.544 1.00 41.87 C ATOM 1001 OXT LEU A 129 17.768 59.817 -10.297 1.00 42.65 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 -10.653 73.237 12.513 1.00 15.87 O HETATM 1004 O HOH A 131 -7.826 47.805 -1.750 1.00 8.07 O HETATM 1005 O HOH A 132 -0.979 74.247 -3.556 1.00 45.00 O HETATM 1006 O HOH A 133 -13.413 67.615 4.088 1.00 15.16 O HETATM 1007 O HOH A 134 -2.322 68.675 -13.548 1.00 26.55 O HETATM 1008 O HOH A 135 -11.841 67.255 14.032 1.00 10.22 O HETATM 1009 O HOH A 136 -7.555 54.752 1.001 1.00 34.88 O HETATM 1010 O HOH A 137 11.250 49.720 -6.700 1.00 11.76 O HETATM 1011 O HOH A 138 3.339 70.563 0.637 1.00 19.59 O HETATM 1012 O HOH A 139 -13.806 64.115 7.705 1.00 13.34 O HETATM 1013 O HOH A 140 -16.041 60.340 -0.864 1.00 26.12 O HETATM 1014 O HOH A 141 -9.068 56.488 -0.079 1.00 24.34 O HETATM 1015 O HOH A 142 -8.117 50.279 -4.099 1.00 17.47 O HETATM 1016 O HOH A 143 -0.950 42.831 -3.125 1.00 17.70 O HETATM 1017 O HOH A 144 14.552 51.404 -15.383 1.00 64.53 O HETATM 1018 O HOH A 145 11.999 59.838 -17.363 1.00 34.35 O HETATM 1019 O HOH A 146 -1.559 62.540 0.735 1.00 13.28 O HETATM 1020 O HOH A 147 6.319 50.822 10.865 1.00 20.95 O HETATM 1021 O HOH A 148 -3.101 59.130 -13.495 1.00 22.38 O HETATM 1022 O HOH A 149 -5.673 52.815 3.928 1.00 25.84 O HETATM 1023 O HOH A 150 -8.251 60.690 -7.963 1.00 24.47 O HETATM 1024 O HOH A 151 6.032 61.698 -15.965 1.00 21.11 O HETATM 1025 O HOH A 152 -8.106 51.040 -10.166 1.00 16.83 O HETATM 1026 O HOH A 153 -9.882 66.169 11.908 1.00 13.48 O HETATM 1027 O HOH A 154 -15.394 53.726 4.248 1.00 35.76 O HETATM 1028 O HOH A 155 10.048 44.772 -7.757 1.00 28.66 O HETATM 1029 O HOH A 156 9.649 45.516 -13.570 1.00 45.15 O HETATM 1030 O HOH A 157 6.117 45.020 -1.834 1.00 22.69 O HETATM 1031 O HOH A 158 3.312 44.739 12.965 1.00 31.76 O HETATM 1032 O HOH A 159 1.136 67.758 0.220 1.00 17.43 O HETATM 1033 O HOH A 160 14.698 55.192 6.720 1.00 22.83 O HETATM 1034 O HOH A 161 2.656 46.351 -9.012 1.00 23.20 O HETATM 1035 O HOH A 162 9.495 45.747 -2.782 1.00 25.47 O HETATM 1036 O HOH A 163 10.427 49.253 8.511 1.00 44.29 O HETATM 1037 O HOH A 164 14.814 59.117 -1.910 1.00 24.62 O HETATM 1038 O HOH A 165 -3.792 57.410 6.714 1.00 23.12 O HETATM 1039 O HOH A 166 -18.529 68.867 5.878 1.00 25.82 O HETATM 1040 O HOH A 167 6.572 68.404 -5.458 1.00 18.22 O HETATM 1041 O HOH A 168 11.973 47.180 -5.685 1.00 37.89 O HETATM 1042 O HOH A 169 14.366 53.822 -13.488 1.00 37.95 O HETATM 1043 O HOH A 170 -0.862 60.376 -14.539 1.00 21.54 O HETATM 1044 O HOH A 171 2.948 37.987 -4.904 1.00 45.42 O HETATM 1045 O HOH A 172 2.398 52.104 9.921 1.00 16.80 O HETATM 1046 O HOH A 173 5.755 75.458 -2.742 1.00 54.28 O HETATM 1047 O HOH A 174 -5.938 54.197 -9.743 1.00 23.34 O HETATM 1048 O HOH A 175 8.051 63.419 9.023 1.00 26.60 O HETATM 1049 O HOH A 176 8.918 65.839 -10.485 1.00 26.88 O HETATM 1050 O HOH A 177 1.097 72.008 1.754 1.00 23.88 O HETATM 1051 O HOH A 178 3.030 67.125 6.943 1.00 26.94 O HETATM 1052 O HOH A 179 7.309 43.584 -3.802 1.00 22.27 O HETATM 1053 O HOH A 180 -3.911 73.983 -2.832 1.00 48.02 O HETATM 1054 O HOH A 181 -4.249 73.074 -0.480 1.00 24.73 O HETATM 1055 O HOH A 182 14.599 63.885 -7.806 1.00 34.29 O HETATM 1056 O HOH A 183 -0.005 51.870 11.201 1.00 37.11 O HETATM 1057 O HOH A 184 5.651 58.795 -16.633 1.00 27.17 O HETATM 1058 O HOH A 185 15.882 57.404 5.319 1.00 40.14 O HETATM 1059 O HOH A 186 3.993 66.413 9.491 1.00 25.95 O HETATM 1060 O HOH A 187 17.342 59.596 -0.815 1.00 38.86 O HETATM 1061 O HOH A 188 6.865 67.432 10.134 1.00 55.37 O HETATM 1062 O HOH A 189 18.892 55.777 -0.579 1.00 63.96 O HETATM 1063 O HOH A 190 -7.940 64.836 12.837 1.00 8.36 O HETATM 1064 O HOH A 191 4.566 69.437 6.821 1.00 30.40 O HETATM 1065 O HOH A 192 7.411 68.192 -10.702 1.00 42.59 O HETATM 1066 O HOH A 193 1.286 39.885 -3.778 1.00 32.46 O HETATM 1067 O HOH A 194 4.937 71.103 14.457 1.00 56.89 O HETATM 1068 O HOH A 195 -1.500 65.450 -2.310 1.00 24.60 O HETATM 1069 O HOH A 196 0.488 67.024 -2.372 1.00 20.88 O HETATM 1070 O HOH A 197 3.915 41.566 -10.143 1.00 25.37 O HETATM 1071 O HOH A 198 3.564 70.560 11.537 1.00 48.81 O HETATM 1072 O HOH A 199 -4.566 41.240 0.555 1.00 27.34 O HETATM 1073 O HOH A 200 0.908 35.316 -4.722 1.00 51.49 O HETATM 1074 O HOH A 201 -1.735 56.006 15.486 1.00 50.20 O HETATM 1075 O HOH A 202 7.005 72.393 -5.180 1.00 63.31 O HETATM 1076 O HOH A 203 -3.182 67.645 -15.889 1.00 40.06 O HETATM 1077 O HOH A 204 -14.736 71.540 14.674 1.00 33.83 O HETATM 1078 O HOH A 205 6.519 44.136 0.728 1.00 14.35 O HETATM 1079 O HOH A 206 18.982 60.231 -19.329 1.00 43.40 O HETATM 1080 O HOH A 207 -0.960 39.494 -6.011 1.00 24.13 O HETATM 1081 O HOH A 208 1.982 60.550 -18.373 1.00 46.15 O HETATM 1082 O HOH A 209 5.755 41.225 0.745 1.00 20.92 O HETATM 1083 O HOH A 210 1.297 58.286 -15.606 1.00 35.97 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 271 0 0 8 3 0 0 6 1082 1 8 10 END