USER MOD reduce.3.24.130724 H: found=0, std=0, add=1418, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER METAL TRANSPORT 05-APR-19 6RA8 TITLE HORSE SPLEEN APOFERRITIN UNDER 2 KBAR OF ARGON COMPND MOL_ID: 1; COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: FERRITIN L SUBUNIT; COMPND 5 OTHER_DETAILS: CYS 48 RESIDUE OXIDIZED IN CSO LAST RESIDUE 174 NOT COMPND 6 OBSERVED IN ELECTRON DENSITY SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; SOURCE 3 ORGANISM_COMMON: HORSE; SOURCE 4 ORGANISM_TAXID: 9796; SOURCE 5 ORGAN: SPLEEN KEYWDS APOFERRITIN HORSE SPLEEN ARGON PRESSURE, METAL TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR T.PRANGE,P.CARPENTIER,N.COLLOC'H REVDAT 1 06-MAY-20 6RA8 0 JRNL AUTH T.PRANGE,P.CARPENTIER JRNL TITL LABELLING PROTEIN CRYSTALS BY ARGON AT 2 KBAR JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.LAFUMAT,C.MUELLER-DIECKMANN,G.LEONARD,N.COLLOC'H,T.PRANGE, REMARK 1 AUTH 2 T.GIRAUD,F.DOBIAS,A.ROYANT,P.VAN DER LINDEN,P.CARPENTIER REMARK 1 TITL GAS-SENSITIVE BIOLOGICAL CRYSTALS PROCESSED IN PRESSURIZED REMARK 1 TITL 2 OXYGEN AND KRYPTON ATMOSPHERES: DECIPHERING GAS CHANNELS IN REMARK 1 TITL 3 PROTEINS USING A NOVEL SOAK-AND-FREEZE METHODOLOGY REMARK 1 REF JOURNAL OF APPLIED V. 49 1478 2016 REMARK 1 REF 2 CRYSTALLOGRAPHY REMARK 1 REFN ESSN 1600-5767 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0238 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 45.26 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 16754 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) : 0.174 REMARK 3 R VALUE (WORKING SET) : 0.171 REMARK 3 FREE R VALUE : 0.221 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.300 REMARK 3 FREE R VALUE TEST SET COUNT : 935 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) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.05 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1202 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.37 REMARK 3 BIN R VALUE (WORKING SET) : 0.1950 REMARK 3 BIN FREE R VALUE SET COUNT : 67 REMARK 3 BIN FREE R VALUE : 0.1930 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1390 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 23 REMARK 3 SOLVENT ATOMS : 215 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 30.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.46 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 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): 0.140 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.141 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.083 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.874 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.959 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.926 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1472 ; 0.007 ; 0.012 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1955 ; 1.332 ; 1.624 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 178 ; 6.003 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 86 ;34.296 ;22.442 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 265 ;14.567 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;16.776 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 178 ; 0.086 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1096 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL 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): 697 ; 2.908 ; 2.799 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 871 ; 4.102 ; 4.161 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 772 ; 5.030 ; 3.360 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 2342 ;10.216 ;40.350 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL 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 : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 6RA8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 05-APR-19. REMARK 100 THE DEPOSITION ID IS D_1292101679. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-SEP-18 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID30B REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.771 REMARK 200 MONOCHROMATOR : SI(111) REMARK 200 OPTICS : BENDING MIRROT REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17689 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 45.260 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 67.60 REMARK 200 R MERGE (I) : 0.10200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 40.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.11 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.7 REMARK 200 DATA REDUNDANCY IN SHELL : 61.90 REMARK 200 R MERGE FOR SHELL (I) : 0.67900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 8.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: FFT REMARK 200 STARTING MODEL: 2W0O.PDB REMARK 200 REMARK 200 REMARK: DIAMOND YELLOWISH CRYSTALS REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 60.40 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.10 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE 0.6 M + CADMIUM REMARK 280 SULFATE 0.1 M, PH 7.5, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 4 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z,-X,-Y REMARK 290 7555 -Z,-X,Y REMARK 290 8555 -Z,X,-Y REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z,-X REMARK 290 11555 Y,-Z,-X REMARK 290 12555 -Y,-Z,X REMARK 290 13555 Y,X,-Z REMARK 290 14555 -Y,-X,-Z REMARK 290 15555 Y,-X,Z REMARK 290 16555 -Y,X,Z REMARK 290 17555 X,Z,-Y REMARK 290 18555 -X,Z,Y REMARK 290 19555 -X,-Z,-Y REMARK 290 20555 X,-Z,Y REMARK 290 21555 Z,Y,-X REMARK 290 22555 Z,-Y,X REMARK 290 23555 -Z,Y,X REMARK 290 24555 -Z,-Y,-X REMARK 290 25555 X,Y+1/2,Z+1/2 REMARK 290 26555 -X,-Y+1/2,Z+1/2 REMARK 290 27555 -X,Y+1/2,-Z+1/2 REMARK 290 28555 X,-Y+1/2,-Z+1/2 REMARK 290 29555 Z,X+1/2,Y+1/2 REMARK 290 30555 Z,-X+1/2,-Y+1/2 REMARK 290 31555 -Z,-X+1/2,Y+1/2 REMARK 290 32555 -Z,X+1/2,-Y+1/2 REMARK 290 33555 Y,Z+1/2,X+1/2 REMARK 290 34555 -Y,Z+1/2,-X+1/2 REMARK 290 35555 Y,-Z+1/2,-X+1/2 REMARK 290 36555 -Y,-Z+1/2,X+1/2 REMARK 290 37555 Y,X+1/2,-Z+1/2 REMARK 290 38555 -Y,-X+1/2,-Z+1/2 REMARK 290 39555 Y,-X+1/2,Z+1/2 REMARK 290 40555 -Y,X+1/2,Z+1/2 REMARK 290 41555 X,Z+1/2,-Y+1/2 REMARK 290 42555 -X,Z+1/2,Y+1/2 REMARK 290 43555 -X,-Z+1/2,-Y+1/2 REMARK 290 44555 X,-Z+1/2,Y+1/2 REMARK 290 45555 Z,Y+1/2,-X+1/2 REMARK 290 46555 Z,-Y+1/2,X+1/2 REMARK 290 47555 -Z,Y+1/2,X+1/2 REMARK 290 48555 -Z,-Y+1/2,-X+1/2 REMARK 290 49555 X+1/2,Y,Z+1/2 REMARK 290 50555 -X+1/2,-Y,Z+1/2 REMARK 290 51555 -X+1/2,Y,-Z+1/2 REMARK 290 52555 X+1/2,-Y,-Z+1/2 REMARK 290 53555 Z+1/2,X,Y+1/2 REMARK 290 54555 Z+1/2,-X,-Y+1/2 REMARK 290 55555 -Z+1/2,-X,Y+1/2 REMARK 290 56555 -Z+1/2,X,-Y+1/2 REMARK 290 57555 Y+1/2,Z,X+1/2 REMARK 290 58555 -Y+1/2,Z,-X+1/2 REMARK 290 59555 Y+1/2,-Z,-X+1/2 REMARK 290 60555 -Y+1/2,-Z,X+1/2 REMARK 290 61555 Y+1/2,X,-Z+1/2 REMARK 290 62555 -Y+1/2,-X,-Z+1/2 REMARK 290 63555 Y+1/2,-X,Z+1/2 REMARK 290 64555 -Y+1/2,X,Z+1/2 REMARK 290 65555 X+1/2,Z,-Y+1/2 REMARK 290 66555 -X+1/2,Z,Y+1/2 REMARK 290 67555 -X+1/2,-Z,-Y+1/2 REMARK 290 68555 X+1/2,-Z,Y+1/2 REMARK 290 69555 Z+1/2,Y,-X+1/2 REMARK 290 70555 Z+1/2,-Y,X+1/2 REMARK 290 71555 -Z+1/2,Y,X+1/2 REMARK 290 72555 -Z+1/2,-Y,-X+1/2 REMARK 290 73555 X+1/2,Y+1/2,Z REMARK 290 74555 -X+1/2,-Y+1/2,Z REMARK 290 75555 -X+1/2,Y+1/2,-Z REMARK 290 76555 X+1/2,-Y+1/2,-Z REMARK 290 77555 Z+1/2,X+1/2,Y REMARK 290 78555 Z+1/2,-X+1/2,-Y REMARK 290 79555 -Z+1/2,-X+1/2,Y REMARK 290 80555 -Z+1/2,X+1/2,-Y REMARK 290 81555 Y+1/2,Z+1/2,X REMARK 290 82555 -Y+1/2,Z+1/2,-X REMARK 290 83555 Y+1/2,-Z+1/2,-X REMARK 290 84555 -Y+1/2,-Z+1/2,X REMARK 290 85555 Y+1/2,X+1/2,-Z REMARK 290 86555 -Y+1/2,-X+1/2,-Z REMARK 290 87555 Y+1/2,-X+1/2,Z REMARK 290 88555 -Y+1/2,X+1/2,Z REMARK 290 89555 X+1/2,Z+1/2,-Y REMARK 290 90555 -X+1/2,Z+1/2,Y REMARK 290 91555 -X+1/2,-Z+1/2,-Y REMARK 290 92555 X+1/2,-Z+1/2,Y REMARK 290 93555 Z+1/2,Y+1/2,-X REMARK 290 94555 Z+1/2,-Y+1/2,X REMARK 290 95555 -Z+1/2,Y+1/2,X REMARK 290 96555 -Z+1/2,-Y+1/2,-X 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 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 25 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 25 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY3 25 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY1 26 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 26 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY3 26 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY1 27 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 27 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY3 27 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY1 28 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 28 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY3 28 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY1 29 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 29 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 29 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY1 30 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 30 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 30 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY1 31 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 31 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 31 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY1 32 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 32 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 32 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY1 33 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 33 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY3 33 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 34 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 34 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY3 34 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 35 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 35 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY3 35 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 36 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 36 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY3 36 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 37 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 37 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 37 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY1 38 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 38 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 38 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY1 39 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 39 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 39 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY1 40 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 40 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 40 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY1 41 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 41 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY3 41 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY1 42 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 42 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY3 42 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY1 43 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 43 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY3 43 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY1 44 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 44 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY3 44 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY1 45 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 45 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY3 45 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 46 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 46 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY3 46 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 47 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 47 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY3 47 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 48 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 48 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY3 48 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 49 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 49 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 49 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY1 50 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 50 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 50 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY1 51 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 51 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 51 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY1 52 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 52 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 52 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY1 53 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY2 53 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 53 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY1 54 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY2 54 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 54 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY1 55 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY2 55 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 55 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY1 56 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY2 56 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 56 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY1 57 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY2 57 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 57 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 58 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY2 58 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 58 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 59 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY2 59 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 59 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 60 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY2 60 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 60 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 61 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY2 61 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 61 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY1 62 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY2 62 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 62 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY1 63 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY2 63 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 63 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY1 64 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY2 64 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 64 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY1 65 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 65 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 65 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY1 66 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 66 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 66 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY1 67 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 67 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 67 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY1 68 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 68 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 68 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY1 69 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY2 69 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 69 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 70 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY2 70 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 70 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 71 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY2 71 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 71 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 72 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY2 72 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 72 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY1 73 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 73 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY3 73 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 74 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 74 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY3 74 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 75 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 75 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY3 75 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 76 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 76 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY3 76 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 77 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY2 77 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 77 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 78 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY2 78 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 78 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 79 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY2 79 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 79 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 80 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY2 80 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 80 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 81 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY2 81 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY3 81 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 82 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY2 82 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY3 82 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 83 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY2 83 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY3 83 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 84 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY2 84 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY3 84 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 85 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY2 85 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 85 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 86 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY2 86 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 86 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 87 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY2 87 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 87 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 88 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY2 88 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY3 88 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 89 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 89 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY3 89 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 90 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 90 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY3 90 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 91 -1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 91 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY3 91 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 92 1.000000 0.000000 0.000000 90.43650 REMARK 290 SMTRY2 92 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY3 92 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 93 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY2 93 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY3 93 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 94 0.000000 0.000000 1.000000 90.43650 REMARK 290 SMTRY2 94 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY3 94 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 95 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY2 95 0.000000 1.000000 0.000000 90.43650 REMARK 290 SMTRY3 95 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 96 0.000000 0.000000 -1.000000 90.43650 REMARK 290 SMTRY2 96 0.000000 -1.000000 0.000000 90.43650 REMARK 290 SMTRY3 96 -1.000000 0.000000 0.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: 24-MERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 107800 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 138720 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1168.0 KCAL/MOL 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 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 4 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 5 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 5 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 5 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 6 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 6 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 7 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 7 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 8 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 8 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 9 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 9 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 9 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 10 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 10 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 11 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 11 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 12 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 12 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 13 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 13 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 13 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 14 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 14 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 14 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 15 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 15 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 15 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 16 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT2 16 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 16 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 17 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 17 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 17 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 18 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 18 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT3 18 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 19 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 19 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 19 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT1 20 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 20 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT3 20 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 21 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 21 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 21 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 22 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 22 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 22 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 23 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 23 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 23 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT1 24 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 24 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 24 -1.000000 0.000000 0.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 CD CD A 201 LIES ON A SPECIAL POSITION. REMARK 375 CD CD A 202 LIES ON A SPECIAL POSITION. 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 O LYS A 172 O HOH A 301 2.02 REMARK 500 NE2 GLN A 71 O HOH A 302 2.16 REMARK 500 NH1 ARG A 59 O HOH A 303 2.17 REMARK 500 O4 SO4 A 211 O HOH A 304 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 VAL A 42 -56.46 -129.47 REMARK 500 PHE A 133 -51.62 -133.85 REMARK 500 VAL A 155 76.03 -109.00 REMARK 500 LYS A 172 96.80 12.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 VAL A 155 GLY A 156 -148.38 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 203 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 11 OE1 REMARK 620 2 GLU A 11 OE2 52.0 REMARK 620 3 HOH A 506 O 154.6 131.3 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 204 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 45 OE1 REMARK 620 2 GLU A 45 OE2 55.8 REMARK 620 3 HOH A 338 O 106.0 73.0 REMARK 620 4 HOH A 496 O 132.8 166.2 109.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 206 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 53 OE1 REMARK 620 2 GLU A 53 OE2 51.4 REMARK 620 3 GLU A 56 OE1 99.5 111.1 REMARK 620 4 HOH A 316 O 152.2 156.2 70.8 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 205 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 56 OE2 REMARK 620 2 GLU A 60 OE1 70.5 REMARK 620 3 GLU A 60 OE2 114.2 54.5 REMARK 620 4 HOH A 310 O 168.4 113.7 64.3 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 201 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 80 OD1 REMARK 620 2 ASP A 80 OD2 56.2 REMARK 620 3 HOH A 479 O 106.7 97.1 REMARK 620 4 ASP A 80 OD1 0.0 56.2 106.7 REMARK 620 5 ASP A 80 OD2 56.2 0.0 97.1 56.2 REMARK 620 6 HOH A 479 O 101.9 153.7 103.8 101.9 153.7 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 207 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 88 OE1 REMARK 620 2 GLU A 88 OE2 61.1 REMARK 620 3 HOH A 307 O 99.2 73.8 REMARK 620 4 HOH A 454 O 135.9 118.2 123.8 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 202 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 130 OE1 REMARK 620 2 HOH A 320 O 75.3 REMARK 620 3 GLU A 130 OE1 0.0 75.3 REMARK 620 4 HOH A 320 O 153.1 78.4 153.1 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue AR A 208 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 209 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 210 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 211 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1AEW RELATED DB: PDB REMARK 900 L-CHAIN HORSE APOFERRITIN REMARK 900 RELATED ID: 2W0O RELATED DB: PDB REMARK 900 HORSE SPLEEN APOFERRITIN REMARK 900 RELATED ID: 3F32 RELATED DB: PDB REMARK 900 HORSE SPLEEN APOFERRITIN REMARK 900 RELATED ID: 5ERK RELATED DB: PDB REMARK 900 HORSE SPLEEN APOFERRITIN (CONTROL) DBREF 6RA8 A 1 173 UNP P02791 FRIL_HORSE 2 174 SEQRES 1 A 173 SER SER GLN ILE ARG GLN ASN TYR SER THR GLU VAL GLU SEQRES 2 A 173 ALA ALA VAL ASN ARG LEU VAL ASN LEU TYR LEU ARG ALA SEQRES 3 A 173 SER TYR THR TYR LEU SER LEU GLY PHE TYR PHE ASP ARG SEQRES 4 A 173 ASP ASP VAL ALA LEU GLU GLY VAL CSO HIS PHE PHE ARG SEQRES 5 A 173 GLU LEU ALA GLU GLU LYS ARG GLU GLY ALA GLU ARG LEU SEQRES 6 A 173 LEU LYS MET GLN ASN GLN ARG GLY GLY ARG ALA LEU PHE SEQRES 7 A 173 GLN ASP LEU GLN LYS PRO SER GLN ASP GLU TRP GLY THR SEQRES 8 A 173 THR LEU ASP ALA MET LYS ALA ALA ILE VAL LEU GLU LYS SEQRES 9 A 173 SER LEU ASN GLN ALA LEU LEU ASP LEU HIS ALA LEU GLY SEQRES 10 A 173 SER ALA GLN ALA ASP PRO HIS LEU CYS ASP PHE LEU GLU SEQRES 11 A 173 SER HIS PHE LEU ASP GLU GLU VAL LYS LEU ILE LYS LYS SEQRES 12 A 173 MET GLY ASP HIS LEU THR ASN ILE GLN ARG LEU VAL GLY SEQRES 13 A 173 SER GLN ALA GLY LEU GLY GLU TYR LEU PHE GLU ARG LEU SEQRES 14 A 173 THR LEU LYS HIS MODRES 6RA8 CSO A 48 CYS MODIFIED RESIDUE HET CSO A 48 7 HET CD A 201 1 HET CD A 202 1 HET CD A 203 1 HET CD A 204 1 HET CD A 205 1 HET CD A 206 1 HET CD A 207 1 HET AR A 208 1 HET SO4 A 209 5 HET SO4 A 210 5 HET SO4 A 211 5 HETNAM CSO S-HYDROXYCYSTEINE HETNAM CD CADMIUM ION HETNAM AR ARGON HETNAM SO4 SULFATE ION FORMUL 1 CSO C3 H7 N O3 S FORMUL 2 CD 7(CD 2+) FORMUL 9 AR AR FORMUL 10 SO4 3(O4 S 2-) FORMUL 13 HOH *215(H2 O) HELIX 1 AA1 SER A 9 ASP A 38 1 30 HELIX 2 AA2 LEU A 44 GLY A 73 1 30 HELIX 3 AA3 THR A 91 GLN A 120 1 30 HELIX 4 AA4 ASP A 122 PHE A 133 1 12 HELIX 5 AA5 PHE A 133 VAL A 155 1 23 HELIX 6 AA6 GLN A 158 THR A 170 1 13 LINK OE1 GLU A 11 CD CD A 203 1555 1555 2.60 LINK OE2 GLU A 11 CD CD A 203 1555 1555 2.43 LINK OE1 GLU A 45 CD CD A 204 1555 1555 2.49 LINK OE2 GLU A 45 CD CD A 204 1555 1555 2.21 LINK C VAL A 47 N CSO A 48 1555 1555 1.34 LINK C CSO A 48 N HIS A 49 1555 1555 1.34 LINK OE1 GLU A 53 CD CD A 206 1555 1555 2.58 LINK OE2 GLU A 53 CD CD A 206 1555 1555 2.51 LINK OE1 GLU A 56 CD CD A 206 1555 1555 2.30 LINK OE2 GLU A 56 CD CD A 205 1555 1555 2.31 LINK OE1 GLU A 60 CD CD A 205 1555 1555 2.43 LINK OE2 GLU A 60 CD CD A 205 1555 1555 2.34 LINK OD1 ASP A 80 CD CD A 201 1555 1555 2.35 LINK OD2 ASP A 80 CD CD A 201 1555 1555 2.31 LINK OE1 GLU A 88 CD CD A 207 1555 1555 2.29 LINK OE2 GLU A 88 CD CD A 207 1555 1555 1.90 LINK OE1 GLU A 130 CD CD A 202 1555 1555 2.32 LINK CD CD A 201 O HOH A 479 1555 1555 2.57 LINK CD CD A 202 O HOH A 320 1555 1555 2.30 LINK CD CD A 203 O HOH A 506 1555 1555 2.31 LINK CD CD A 204 O HOH A 338 1555 1555 2.20 LINK CD CD A 205 O HOH A 310 1555 1555 2.19 LINK CD CD A 206 O HOH A 316 1555 1555 2.00 LINK CD CD A 207 O HOH A 307 1555 1555 2.01 LINK CD CD A 207 O HOH A 454 1555 1555 2.00 LINK OD1 ASP A 80 CD CD A 201 1555 72555 2.35 LINK OD2 ASP A 80 CD CD A 201 1555 72555 2.31 LINK OE1 GLU A 130 CD CD A 202 1555 5555 2.24 LINK CD CD A 201 O HOH A 479 1555 72555 2.58 LINK CD CD A 202 O HOH A 320 1555 9555 2.30 LINK CD CD A 204 O HOH A 496 1555 15555 2.55 SITE *** AC1 2 ASP A 80 HOH A 479 SITE *** AC2 2 GLU A 130 HOH A 320 SITE *** AC3 2 GLU A 11 HOH A 506 SITE *** AC4 5 GLU A 45 SO4 A 210 HOH A 338 HOH A 452 SITE *** AC4 5 HOH A 496 SITE *** AC5 4 GLU A 56 GLU A 57 GLU A 60 HOH A 310 SITE *** AC6 3 GLU A 53 GLU A 56 HOH A 316 SITE *** AC7 3 GLU A 88 HOH A 307 HOH A 454 SITE *** AC8 3 THR A 29 ALA A 98 ALA A 99 SITE *** AC9 6 GLN A 6 ASN A 7 HOH A 326 HOH A 366 SITE *** AC9 6 HOH A 394 HOH A 423 SITE *** AD1 9 GLU A 45 LYS A 143 ASP A 146 HIS A 147 SITE *** AD1 9 CD A 204 HOH A 322 HOH A 360 HOH A 365 SITE *** AD1 9 HOH A 387 SITE *** AD2 4 GLN A 86 ASP A 87 GLU A 88 HOH A 304 CRYST1 180.873 180.873 180.873 90.00 90.00 90.00 F 4 3 2 96 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 0.005529 0.000000 0.000000 0.00000 SCALE2 0.000000 0.005529 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005529 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 48 CSO HN2 : A 48 CSO N : A 47 VAL C :(H bumps) USER MOD Set 1.1: A 49 HIS : no HD1:sc= -0.0718 X(o=-0.3,f=-0.38) USER MOD Set 1.2: A 172 LYS NZ :NH3+ 131:sc= -0.229 (180deg=-1.2) USER MOD Set 2.1: A 118 SER OG B: rot 71:sc= 0.58 USER MOD Set 2.2: A 126 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 30 TYR OH : rot 166:sc= 1.18 USER MOD Set 3.2: A 144 MET CE :methyl -157:sc= -0.0716 (180deg=-0.416) USER MOD Set 4.1: A 8 TYR OH : rot 154:sc= 1.3 USER MOD Set 4.2: A 17 ASN : amide:sc= 0.182 K(o=3,f=-4.1!) USER MOD Set 4.3: A 69 GLN : amide:sc= 1.51 K(o=3,f=-4.1) USER MOD Single : A 1 SER N :NH3+ 171:sc= -0.108 (180deg=-0.153) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 7 ASN :FLIP amide:sc= 0.481 F(o=-0.72,f=0.48) USER MOD Single : A 9 SER OG : rot -75:sc= 0.219 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.45 X(o=1.5,f=1.4) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.555 USER MOD Single : A 27 SER OG : rot 80:sc= 1.26 USER MOD Single : A 28 TYR OH : rot 180:sc= 1.05 USER MOD Single : A 29 THR OG1 : rot 74:sc= 1.58 USER MOD Single : A 32 SER OG : rot 154:sc= 1.4 USER MOD Single : A 36 TYR OH : rot 164:sc= 1.14 USER MOD Single : A 48 CSO OD : rot -140:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= 0.552 (180deg=-0.366) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -157:sc= -0.331 (180deg=-0.887) USER MOD Single : A 70 ASN :FLIP amide:sc= 0.244 F(o=-2.3!,f=0.24) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0543 F(o=-1.6!,f=-0.054) USER MOD Single : A 79 GLN :FLIP amide:sc= 0.59 F(o=0.074,f=0.59) USER MOD Single : A 82 GLN : amide:sc= -0.149 X(o=-0.15,f=0.072) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= 0.567 (180deg=0.423) USER MOD Single : A 85 SER OG : rot -116:sc= 1.13 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 91 THR OG1 : rot -159:sc= 0.886 USER MOD Single : A 92 THR OG1 : rot 72:sc= 1.89 USER MOD Single : A 96 MET CE :methyl 159:sc=-0.00344 (180deg=-0.341) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG A: rot -80:sc= 1.23 USER MOD Single : A 105 SER OG B: rot 85:sc= 0.456 USER MOD Single : A 107 ASN : amide:sc= 0.127! X(o=0.13!,f=0.59) USER MOD Single : A 108 GLN : amide:sc= 1.45 X(o=1.4,f=1.3) USER MOD Single : A 114 HIS : no HD1:sc= 2.44 K(o=2.4,f=-7.4!) USER MOD Single : A 118 SER OG A: rot 180:sc= 0 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.0836 F(o=-1.9!,f=-0.084) USER MOD Single : A 124 HIS : no HD1:sc= 1.19 K(o=1.2,f=-3.4!) USER MOD Single : A 131 SER OG : rot 76:sc= 0.927 USER MOD Single : A 132 HIS : no HD1:sc= -0.384 X(o=-0.38,f=0.064) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 164:sc= 0.764 (180deg=0.666) USER MOD Single : A 143 LYS NZ :NH3+ -171:sc= -0.664 (180deg=-1.23!) USER MOD Single : A 147 HIS : no HE2:sc= 2.52 K(o=2.5,f=-6.2!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0.403 K(o=0.4,f=-1.5!) USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD Single : A 158 GLN : amide:sc= -0.0924 X(o=-0.092,f=-0.006) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 THR OG1 : rot -129:sc= 1.3 USER MOD Single : A 173 HIS : no HE2:sc= -4.98 K(o=-5,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 54.623 19.161 24.498 1.00 90.00 N ATOM 2 CA SER A 1 55.295 19.226 23.157 1.00 90.00 C ATOM 3 C SER A 1 54.331 18.774 22.059 1.00 90.00 C ATOM 4 O SER A 1 54.741 18.531 20.925 1.00 88.09 O ATOM 5 CB SER A 1 56.585 18.439 23.147 1.00 90.00 C ATOM 6 OG SER A 1 56.502 17.312 24.009 1.00 90.00 O ATOM 0 H1 SER A 1 55.225 19.299 25.139 1.00 90.00 H new ATOM 0 H2 SER A 1 53.992 19.787 24.545 1.00 90.00 H new ATOM 0 H3 SER A 1 54.253 18.359 24.606 1.00 90.00 H new ATOM 0 HA SER A 1 55.536 20.148 22.976 1.00 90.00 H new ATOM 0 HB2 SER A 1 56.781 18.145 22.244 1.00 90.00 H new ATOM 0 HB3 SER A 1 57.318 19.010 23.425 1.00 90.00 H new ATOM 0 HG SER A 1 57.227 16.889 23.988 1.00 90.00 H new ATOM 7 N SER A 2 53.041 18.691 22.410 1.00 80.63 N ATOM 8 CA SER A 2 51.980 18.343 21.478 1.00 72.47 C ATOM 9 C SER A 2 51.905 19.375 20.352 1.00 69.89 C ATOM 10 O SER A 2 52.139 20.560 20.574 1.00 68.51 O ATOM 11 CB SER A 2 50.657 18.200 22.210 1.00 65.29 C ATOM 12 OG SER A 2 49.579 18.033 21.306 1.00 57.64 O ATOM 0 H SER A 2 52.762 18.839 23.210 1.00 80.63 H new ATOM 0 HA SER A 2 52.180 17.484 21.073 1.00 72.47 H new ATOM 0 HB2 SER A 2 50.698 17.439 22.810 1.00 65.29 H new ATOM 0 HB3 SER A 2 50.503 18.985 22.758 1.00 65.29 H new ATOM 0 HG SER A 2 48.862 17.955 21.736 1.00 57.64 H new ATOM 13 N GLN A 3 51.593 18.906 19.135 1.00 60.36 N ATOM 14 CA GLN A 3 51.373 19.778 17.992 1.00 50.22 C ATOM 15 C GLN A 3 50.073 20.581 18.159 1.00 42.01 C ATOM 16 O GLN A 3 49.938 21.674 17.612 1.00 45.95 O ATOM 17 CB GLN A 3 51.388 18.943 16.708 1.00 55.50 C ATOM 18 CG GLN A 3 50.414 17.768 16.760 1.00 61.94 C ATOM 19 CD GLN A 3 50.440 16.858 15.553 1.00 66.94 C ATOM 20 OE1 GLN A 3 51.046 17.346 14.482 1.00 44.07 O flip ATOM 21 NE2 GLN A 3 49.908 15.740 15.570 1.00 63.14 N flip ATOM 0 H GLN A 3 51.505 18.069 18.958 1.00 60.36 H new ATOM 0 HA GLN A 3 52.089 20.429 17.933 1.00 50.22 H new ATOM 0 HB2 GLN A 3 51.164 19.511 15.954 1.00 55.50 H new ATOM 0 HB3 GLN A 3 52.285 18.608 16.554 1.00 55.50 H new ATOM 0 HG2 GLN A 3 50.608 17.240 17.550 1.00 61.94 H new ATOM 0 HG3 GLN A 3 49.515 18.116 16.866 1.00 61.94 H new ATOM 0 HE21 GLN A 3 49.524 15.458 16.286 1.00 63.14 H new ATOM 0 HE22 GLN A 3 49.923 15.246 14.866 1.00 63.14 H new ATOM 22 N ILE A 4 49.096 20.070 18.920 1.00 32.10 N ATOM 23 CA ILE A 4 47.780 20.705 18.862 1.00 31.85 C ATOM 24 C ILE A 4 47.547 21.544 20.117 1.00 30.65 C ATOM 25 O ILE A 4 46.626 22.360 20.164 1.00 29.61 O ATOM 26 CB ILE A 4 46.658 19.655 18.688 1.00 32.98 C ATOM 27 CG1 ILE A 4 46.568 18.686 19.873 1.00 36.40 C ATOM 28 CG2 ILE A 4 46.789 18.928 17.361 1.00 31.78 C ATOM 29 CD1 ILE A 4 45.374 17.733 19.807 1.00 35.09 C ATOM 0 H ILE A 4 49.169 19.395 19.447 1.00 32.10 H new ATOM 0 HA ILE A 4 47.757 21.288 18.087 1.00 31.85 H new ATOM 0 HB ILE A 4 45.817 20.137 18.675 1.00 32.98 H new ATOM 0 HG12 ILE A 4 47.385 18.164 19.915 1.00 36.40 H new ATOM 0 HG13 ILE A 4 46.516 19.199 20.695 1.00 36.40 H new ATOM 0 HG21 ILE A 4 46.075 18.277 17.277 1.00 31.78 H new ATOM 0 HG22 ILE A 4 46.730 19.568 16.634 1.00 31.78 H new ATOM 0 HG23 ILE A 4 47.646 18.475 17.323 1.00 31.78 H new ATOM 0 HD11 ILE A 4 45.380 17.152 20.584 1.00 35.09 H new ATOM 0 HD12 ILE A 4 44.551 18.246 19.793 1.00 35.09 H new ATOM 0 HD13 ILE A 4 45.433 17.196 19.002 1.00 35.09 H new ATOM 30 N ARG A 5 48.311 21.239 21.174 1.00 25.95 N ATOM 31 CA ARG A 5 47.960 21.654 22.516 1.00 27.60 C ATOM 32 C ARG A 5 48.027 23.178 22.574 1.00 29.13 C ATOM 33 O ARG A 5 49.029 23.741 22.166 1.00 27.22 O ATOM 34 CB ARG A 5 48.975 21.067 23.503 1.00 27.71 C ATOM 35 CG ARG A 5 48.630 21.349 24.957 1.00 27.74 C ATOM 36 CD ARG A 5 49.630 20.667 25.887 1.00 31.48 C ATOM 37 NE ARG A 5 49.164 20.851 27.261 1.00 30.90 N ATOM 38 CZ ARG A 5 49.356 19.997 28.260 1.00 33.63 C ATOM 39 NH1 ARG A 5 49.995 18.856 28.047 1.00 30.77 N ATOM 40 NH2 ARG A 5 48.898 20.288 29.469 1.00 27.34 N ATOM 0 H ARG A 5 49.041 20.788 21.123 1.00 25.95 H new ATOM 0 HA ARG A 5 47.070 21.345 22.746 1.00 27.60 H new ATOM 0 HB2 ARG A 5 49.029 20.108 23.370 1.00 27.71 H new ATOM 0 HB3 ARG A 5 49.853 21.430 23.309 1.00 27.71 H new ATOM 0 HG2 ARG A 5 48.633 22.306 25.116 1.00 27.74 H new ATOM 0 HG3 ARG A 5 47.734 21.032 25.149 1.00 27.74 H new ATOM 0 HD2 ARG A 5 49.701 19.723 25.676 1.00 31.48 H new ATOM 0 HD3 ARG A 5 50.514 21.050 25.774 1.00 31.48 H new ATOM 0 HE ARG A 5 48.730 21.572 27.437 1.00 30.90 H new ATOM 0 HH11 ARG A 5 50.287 18.667 27.260 1.00 30.77 H new ATOM 0 HH12 ARG A 5 50.118 18.305 28.695 1.00 30.77 H new ATOM 0 HH21 ARG A 5 48.479 21.027 29.604 1.00 27.34 H new ATOM 0 HH22 ARG A 5 49.020 19.738 30.119 1.00 27.34 H new ATOM 41 N GLN A 6 46.988 23.831 23.106 1.00 27.75 N ATOM 42 CA GLN A 6 46.937 25.285 23.073 1.00 29.89 C ATOM 43 C GLN A 6 46.040 25.746 24.209 1.00 28.28 C ATOM 44 O GLN A 6 44.885 25.317 24.303 1.00 28.56 O ATOM 45 CB GLN A 6 46.448 25.778 21.702 1.00 32.16 C ATOM 46 CG GLN A 6 46.405 27.298 21.535 1.00 33.10 C ATOM 47 CD GLN A 6 46.107 27.778 20.129 1.00 31.87 C ATOM 48 OE1 GLN A 6 46.608 28.811 19.680 1.00 35.49 O ATOM 49 NE2 GLN A 6 45.325 27.013 19.392 1.00 23.12 N ATOM 0 H GLN A 6 46.315 23.452 23.484 1.00 27.75 H new ATOM 0 HA GLN A 6 47.821 25.664 23.196 1.00 29.89 H new ATOM 0 HB2 GLN A 6 47.025 25.408 21.016 1.00 32.16 H new ATOM 0 HB3 GLN A 6 45.558 25.424 21.545 1.00 32.16 H new ATOM 0 HG2 GLN A 6 45.732 27.657 22.135 1.00 33.10 H new ATOM 0 HG3 GLN A 6 47.258 27.665 21.814 1.00 33.10 H new ATOM 0 HE21 GLN A 6 44.986 26.297 19.726 1.00 23.12 H new ATOM 0 HE22 GLN A 6 45.154 27.231 18.578 1.00 23.12 H new ATOM 50 N ASN A 7 46.601 26.599 25.075 1.00 25.50 N ATOM 51 CA ASN A 7 45.880 27.172 26.201 1.00 27.76 C ATOM 52 C ASN A 7 45.432 26.064 27.150 1.00 29.62 C ATOM 53 O ASN A 7 44.378 26.187 27.771 1.00 30.39 O ATOM 54 CB ASN A 7 44.649 27.984 25.766 1.00 29.90 C ATOM 55 CG ASN A 7 44.091 28.868 26.867 1.00 32.24 C ATOM 56 OD1 ASN A 7 44.975 29.505 27.608 1.00 34.59 O flip ATOM 57 ND2 ASN A 7 42.874 29.003 27.040 1.00 30.31 N flip ATOM 0 H ASN A 7 47.419 26.859 25.018 1.00 25.50 H new ATOM 0 HA ASN A 7 46.493 27.778 26.646 1.00 27.76 H new ATOM 0 HB2 ASN A 7 44.887 28.537 25.005 1.00 29.90 H new ATOM 0 HB3 ASN A 7 43.956 27.374 25.468 1.00 29.90 H new ATOM 0 HD21 ASN A 7 42.319 28.575 26.542 1.00 30.31 H new ATOM 0 HD22 ASN A 7 42.583 29.525 27.659 1.00 30.31 H new ATOM 58 N TYR A 8 46.200 24.969 27.231 1.00 31.55 N ATOM 59 CA TYR A 8 45.791 23.848 28.075 1.00 32.32 C ATOM 60 C TYR A 8 46.853 23.603 29.147 1.00 30.87 C ATOM 61 O TYR A 8 47.872 22.970 28.879 1.00 31.99 O ATOM 62 CB TYR A 8 45.546 22.592 27.231 1.00 29.60 C ATOM 63 CG TYR A 8 44.788 21.477 27.923 1.00 28.60 C ATOM 64 CD1 TYR A 8 43.498 21.662 28.400 1.00 29.43 C ATOM 65 CD2 TYR A 8 45.371 20.233 28.120 1.00 25.72 C ATOM 66 CE1 TYR A 8 42.789 20.637 29.020 1.00 28.14 C ATOM 67 CE2 TYR A 8 44.692 19.211 28.771 1.00 25.98 C ATOM 68 CZ TYR A 8 43.395 19.404 29.220 1.00 28.02 C ATOM 69 OH TYR A 8 42.731 18.370 29.837 1.00 27.21 O ATOM 0 H TYR A 8 46.944 24.860 26.814 1.00 31.55 H new ATOM 0 HA TYR A 8 44.954 24.066 28.514 1.00 32.32 H new ATOM 0 HB2 TYR A 8 45.057 22.848 26.434 1.00 29.60 H new ATOM 0 HB3 TYR A 8 46.404 22.246 26.939 1.00 29.60 H new ATOM 0 HD1 TYR A 8 43.096 22.495 28.303 1.00 29.43 H new ATOM 0 HD2 TYR A 8 46.234 20.081 27.810 1.00 25.72 H new ATOM 0 HE1 TYR A 8 41.913 20.778 29.299 1.00 28.14 H new ATOM 0 HE2 TYR A 8 45.111 18.392 28.907 1.00 25.98 H new ATOM 0 HH TYR A 8 43.051 17.638 29.579 1.00 27.21 H new ATOM 70 N SER A 9 46.623 24.126 30.357 1.00 29.57 N ATOM 71 CA SER A 9 47.641 24.070 31.400 1.00 29.07 C ATOM 72 C SER A 9 47.875 22.634 31.876 1.00 29.58 C ATOM 73 O SER A 9 46.970 21.801 31.859 1.00 24.73 O ATOM 74 CB SER A 9 47.274 24.967 32.549 1.00 27.86 C ATOM 75 OG SER A 9 46.089 24.510 33.186 1.00 27.61 O ATOM 0 H SER A 9 45.890 24.513 30.588 1.00 29.57 H new ATOM 0 HA SER A 9 48.474 24.390 31.020 1.00 29.07 H new ATOM 0 HB2 SER A 9 48.002 24.993 33.190 1.00 27.86 H new ATOM 0 HB3 SER A 9 47.145 25.874 32.229 1.00 27.86 H new ATOM 0 HG SER A 9 45.423 24.703 32.712 1.00 27.61 H new ATOM 76 N THR A 10 49.065 22.401 32.439 1.00 30.17 N ATOM 77 CA THR A 10 49.428 21.149 33.084 1.00 29.28 C ATOM 78 C THR A 10 48.539 20.936 34.313 1.00 28.83 C ATOM 79 O THR A 10 48.202 19.805 34.641 1.00 29.48 O ATOM 80 CB THR A 10 50.905 21.150 33.512 1.00 30.87 C ATOM 81 OG1 THR A 10 51.042 22.295 34.349 1.00 41.44 O ATOM 82 CG2 THR A 10 51.887 21.252 32.368 1.00 30.31 C ATOM 0 H THR A 10 49.695 22.986 32.453 1.00 30.17 H new ATOM 0 HA THR A 10 49.298 20.428 32.448 1.00 29.28 H new ATOM 0 HB THR A 10 51.113 20.308 33.946 1.00 30.87 H new ATOM 0 HG1 THR A 10 51.835 22.351 34.619 1.00 41.44 H new ATOM 0 HG21 THR A 10 52.792 21.247 32.717 1.00 30.31 H new ATOM 0 HG22 THR A 10 51.767 20.498 31.770 1.00 30.31 H new ATOM 0 HG23 THR A 10 51.733 22.077 31.882 1.00 30.31 H new ATOM 83 N GLU A 11 48.128 22.029 34.964 1.00 27.27 N ATOM 84 CA GLU A 11 47.324 21.957 36.171 1.00 28.55 C ATOM 85 C GLU A 11 45.943 21.396 35.826 1.00 27.35 C ATOM 86 O GLU A 11 45.397 20.570 36.552 1.00 25.67 O ATOM 87 CB GLU A 11 47.184 23.334 36.833 1.00 33.54 C ATOM 88 CG GLU A 11 48.474 23.837 37.471 1.00 41.14 C ATOM 89 CD GLU A 11 49.415 24.623 36.559 1.00 48.86 C ATOM 90 OE1 GLU A 11 49.193 24.643 35.315 1.00 41.24 O ATOM 91 OE2 GLU A 11 50.389 25.210 37.084 1.00 52.37 O ATOM 0 H GLU A 11 48.312 22.830 34.712 1.00 27.27 H new ATOM 0 HA GLU A 11 47.769 21.371 36.803 1.00 28.55 H new ATOM 0 HB2 GLU A 11 46.889 23.976 36.168 1.00 33.54 H new ATOM 0 HB3 GLU A 11 46.492 23.290 37.511 1.00 33.54 H new ATOM 0 HG2 GLU A 11 48.242 24.399 38.227 1.00 41.14 H new ATOM 0 HG3 GLU A 11 48.958 23.074 37.823 1.00 41.14 H new ATOM 92 N VAL A 12 45.349 21.901 34.748 1.00 24.91 N ATOM 93 CA VAL A 12 44.052 21.406 34.306 1.00 27.02 C ATOM 94 C VAL A 12 44.189 19.950 33.852 1.00 27.34 C ATOM 95 O VAL A 12 43.377 19.108 34.226 1.00 26.75 O ATOM 96 CB VAL A 12 43.442 22.310 33.214 1.00 27.43 C ATOM 97 CG1 VAL A 12 42.339 21.601 32.432 1.00 26.10 C ATOM 98 CG2 VAL A 12 42.903 23.600 33.841 1.00 27.93 C ATOM 0 H VAL A 12 45.680 22.528 34.261 1.00 24.91 H new ATOM 0 HA VAL A 12 43.431 21.433 35.051 1.00 27.02 H new ATOM 0 HB VAL A 12 44.148 22.527 32.585 1.00 27.43 H new ATOM 0 HG11 VAL A 12 41.983 22.201 31.758 1.00 26.10 H new ATOM 0 HG12 VAL A 12 42.703 20.812 32.002 1.00 26.10 H new ATOM 0 HG13 VAL A 12 41.629 21.339 33.039 1.00 26.10 H new ATOM 0 HG21 VAL A 12 42.522 24.162 33.148 1.00 27.93 H new ATOM 0 HG22 VAL A 12 42.219 23.382 34.493 1.00 27.93 H new ATOM 0 HG23 VAL A 12 43.627 24.074 34.279 1.00 27.93 H new ATOM 99 N GLU A 13 45.235 19.649 33.074 1.00 25.13 N ATOM 100 CA GLU A 13 45.461 18.289 32.610 1.00 24.84 C ATOM 101 C GLU A 13 45.485 17.312 33.795 1.00 25.74 C ATOM 102 O GLU A 13 44.858 16.249 33.759 1.00 24.34 O ATOM 103 CB GLU A 13 46.741 18.266 31.778 1.00 24.58 C ATOM 104 CG GLU A 13 47.192 16.887 31.317 1.00 26.85 C ATOM 105 CD GLU A 13 48.560 16.924 30.625 1.00 32.23 C ATOM 106 OE1 GLU A 13 48.939 15.923 29.994 1.00 31.02 O ATOM 107 OE2 GLU A 13 49.272 17.958 30.739 1.00 31.66 O ATOM 0 H GLU A 13 45.820 20.221 32.808 1.00 25.13 H new ATOM 0 HA GLU A 13 44.733 17.993 32.041 1.00 24.84 H new ATOM 0 HB2 GLU A 13 46.611 18.826 30.996 1.00 24.58 H new ATOM 0 HB3 GLU A 13 47.455 18.666 32.299 1.00 24.58 H new ATOM 0 HG2 GLU A 13 47.234 16.291 32.081 1.00 26.85 H new ATOM 0 HG3 GLU A 13 46.533 16.520 30.707 1.00 26.85 H new ATOM 108 N ALA A 14 46.226 17.657 34.851 1.00 24.97 N ATOM 109 CA ALA A 14 46.332 16.790 36.023 1.00 26.31 C ATOM 110 C ALA A 14 44.966 16.630 36.696 1.00 25.81 C ATOM 111 O ALA A 14 44.590 15.533 37.107 1.00 25.75 O ATOM 112 CB ALA A 14 47.356 17.328 37.006 1.00 22.86 C ATOM 0 H ALA A 14 46.674 18.389 34.907 1.00 24.97 H new ATOM 0 HA ALA A 14 46.633 15.916 35.727 1.00 26.31 H new ATOM 0 HB1 ALA A 14 47.409 16.738 37.774 1.00 22.86 H new ATOM 0 HB2 ALA A 14 48.224 17.376 36.575 1.00 22.86 H new ATOM 0 HB3 ALA A 14 47.090 18.214 37.298 1.00 22.86 H new ATOM 113 N ALA A 15 44.225 17.736 36.822 1.00 24.93 N ATOM 114 CA ALA A 15 42.954 17.717 37.521 1.00 23.97 C ATOM 115 C ALA A 15 41.950 16.882 36.731 1.00 24.21 C ATOM 116 O ALA A 15 41.089 16.236 37.315 1.00 23.08 O ATOM 117 CB ALA A 15 42.450 19.121 37.726 1.00 25.88 C ATOM 0 H ALA A 15 44.448 18.504 36.507 1.00 24.93 H new ATOM 0 HA ALA A 15 43.072 17.314 38.395 1.00 23.97 H new ATOM 0 HB1 ALA A 15 41.601 19.095 38.194 1.00 25.88 H new ATOM 0 HB2 ALA A 15 43.093 19.622 38.252 1.00 25.88 H new ATOM 0 HB3 ALA A 15 42.331 19.551 36.865 1.00 25.88 H new ATOM 118 N VAL A 16 42.026 16.960 35.396 1.00 21.97 N ATOM 119 CA VAL A 16 41.161 16.146 34.563 1.00 21.86 C ATOM 120 C VAL A 16 41.453 14.675 34.857 1.00 22.94 C ATOM 121 O VAL A 16 40.526 13.895 34.999 1.00 24.22 O ATOM 122 CB VAL A 16 41.281 16.471 33.059 1.00 22.61 C ATOM 123 CG1 VAL A 16 40.608 15.371 32.228 1.00 21.61 C ATOM 124 CG2 VAL A 16 40.604 17.810 32.747 1.00 23.44 C ATOM 0 H VAL A 16 42.567 17.473 34.967 1.00 21.97 H new ATOM 0 HA VAL A 16 40.239 16.349 34.785 1.00 21.86 H new ATOM 0 HB VAL A 16 42.223 16.524 32.834 1.00 22.61 H new ATOM 0 HG11 VAL A 16 40.688 15.583 31.285 1.00 21.61 H new ATOM 0 HG12 VAL A 16 41.040 14.521 32.406 1.00 21.61 H new ATOM 0 HG13 VAL A 16 39.670 15.313 32.467 1.00 21.61 H new ATOM 0 HG21 VAL A 16 40.687 18.002 31.800 1.00 23.44 H new ATOM 0 HG22 VAL A 16 39.665 17.762 32.986 1.00 23.44 H new ATOM 0 HG23 VAL A 16 41.031 18.515 33.258 1.00 23.44 H new ATOM 125 N ASN A 17 42.736 14.297 34.962 1.00 21.67 N ATOM 126 CA ASN A 17 43.063 12.897 35.221 1.00 21.14 C ATOM 127 C ASN A 17 42.494 12.463 36.579 1.00 19.94 C ATOM 128 O ASN A 17 41.954 11.374 36.713 1.00 16.89 O ATOM 129 CB ASN A 17 44.553 12.578 35.042 1.00 21.78 C ATOM 130 CG ASN A 17 44.975 12.507 33.590 1.00 24.03 C ATOM 131 OD1 ASN A 17 44.200 12.101 32.727 1.00 22.71 O ATOM 132 ND2 ASN A 17 46.178 12.967 33.286 1.00 24.55 N ATOM 0 H ASN A 17 43.412 14.824 34.888 1.00 21.67 H new ATOM 0 HA ASN A 17 42.629 12.358 34.541 1.00 21.14 H new ATOM 0 HB2 ASN A 17 45.080 13.256 35.493 1.00 21.78 H new ATOM 0 HB3 ASN A 17 44.751 11.732 35.472 1.00 21.78 H new ATOM 0 HD21 ASN A 17 46.436 12.987 32.466 1.00 24.55 H new ATOM 0 HD22 ASN A 17 46.702 13.246 33.909 1.00 24.55 H new ATOM 133 N ARG A 18 42.578 13.329 37.593 1.00 21.89 N ATOM 134 CA ARG A 18 42.045 12.972 38.898 1.00 22.95 C ATOM 135 C ARG A 18 40.529 12.786 38.823 1.00 23.04 C ATOM 136 O ARG A 18 39.962 11.890 39.465 1.00 24.12 O ATOM 137 CB ARG A 18 42.485 14.006 39.948 1.00 26.86 C ATOM 138 CG ARG A 18 43.950 13.860 40.344 1.00 32.40 C ATOM 139 CD ARG A 18 44.356 14.703 41.544 1.00 43.82 C ATOM 140 NE ARG A 18 44.234 16.126 41.231 1.00 46.08 N ATOM 141 CZ ARG A 18 45.180 16.871 40.660 1.00 43.77 C ATOM 142 NH1 ARG A 18 46.370 16.354 40.396 1.00 41.92 N ATOM 143 NH2 ARG A 18 44.953 18.151 40.435 1.00 36.85 N ATOM 0 H ARG A 18 42.933 14.111 37.543 1.00 21.89 H new ATOM 0 HA ARG A 18 42.408 12.118 39.181 1.00 22.95 H new ATOM 0 HB2 ARG A 18 42.336 14.899 39.599 1.00 26.86 H new ATOM 0 HB3 ARG A 18 41.930 13.914 40.738 1.00 26.86 H new ATOM 0 HG2 ARG A 18 44.131 12.927 40.540 1.00 32.40 H new ATOM 0 HG3 ARG A 18 44.506 14.103 39.587 1.00 32.40 H new ATOM 0 HD2 ARG A 18 43.796 14.484 42.305 1.00 43.82 H new ATOM 0 HD3 ARG A 18 45.270 14.498 41.796 1.00 43.82 H new ATOM 0 HE ARG A 18 43.493 16.513 41.431 1.00 46.08 H new ATOM 0 HH11 ARG A 18 46.536 15.533 40.593 1.00 41.92 H new ATOM 0 HH12 ARG A 18 46.977 16.839 40.027 1.00 41.92 H new ATOM 0 HH21 ARG A 18 44.199 18.499 40.657 1.00 36.85 H new ATOM 0 HH22 ARG A 18 45.559 18.637 40.067 1.00 36.85 H new ATOM 144 N LEU A 19 39.864 13.662 38.076 1.00 21.92 N ATOM 145 CA LEU A 19 38.414 13.586 37.961 1.00 22.79 C ATOM 146 C LEU A 19 37.993 12.290 37.265 1.00 22.81 C ATOM 147 O LEU A 19 36.950 11.722 37.590 1.00 23.68 O ATOM 148 CB LEU A 19 37.900 14.812 37.194 1.00 23.66 C ATOM 149 CG LEU A 19 36.383 14.998 37.214 1.00 27.38 C ATOM 150 CD1 LEU A 19 35.854 15.202 38.640 1.00 28.40 C ATOM 151 CD2 LEU A 19 35.957 16.140 36.316 1.00 28.06 C ATOM 0 H LEU A 19 40.230 14.301 37.632 1.00 21.92 H new ATOM 0 HA LEU A 19 38.023 13.582 38.849 1.00 22.79 H new ATOM 0 HB2 LEU A 19 38.315 15.606 37.566 1.00 23.66 H new ATOM 0 HB3 LEU A 19 38.192 14.745 36.271 1.00 23.66 H new ATOM 0 HG LEU A 19 35.992 14.180 36.869 1.00 27.38 H new ATOM 0 HD11 LEU A 19 34.891 15.316 38.615 1.00 28.40 H new ATOM 0 HD12 LEU A 19 36.073 14.427 39.181 1.00 28.40 H new ATOM 0 HD13 LEU A 19 36.263 15.992 39.027 1.00 28.40 H new ATOM 0 HD21 LEU A 19 34.992 16.235 36.348 1.00 28.06 H new ATOM 0 HD22 LEU A 19 36.373 16.962 36.619 1.00 28.06 H new ATOM 0 HD23 LEU A 19 36.233 15.956 35.405 1.00 28.06 H new ATOM 152 N VAL A 20 38.743 11.878 36.237 1.00 19.92 N ATOM 153 CA VAL A 20 38.460 10.603 35.590 1.00 21.56 C ATOM 154 C VAL A 20 38.462 9.495 36.647 1.00 21.61 C ATOM 155 O VAL A 20 37.580 8.637 36.651 1.00 21.90 O ATOM 156 CB VAL A 20 39.446 10.322 34.435 1.00 21.90 C ATOM 157 CG1 VAL A 20 39.488 8.850 33.996 1.00 19.94 C ATOM 158 CG2 VAL A 20 39.181 11.256 33.258 1.00 20.19 C ATOM 0 H VAL A 20 39.406 12.315 35.908 1.00 19.92 H new ATOM 0 HA VAL A 20 37.580 10.635 35.183 1.00 21.56 H new ATOM 0 HB VAL A 20 40.332 10.507 34.784 1.00 21.90 H new ATOM 0 HG11 VAL A 20 40.124 8.746 33.271 1.00 19.94 H new ATOM 0 HG12 VAL A 20 39.759 8.296 34.745 1.00 19.94 H new ATOM 0 HG13 VAL A 20 38.608 8.577 33.694 1.00 19.94 H new ATOM 0 HG21 VAL A 20 39.809 11.064 32.544 1.00 20.19 H new ATOM 0 HG22 VAL A 20 38.276 11.122 32.936 1.00 20.19 H new ATOM 0 HG23 VAL A 20 39.289 12.176 33.544 1.00 20.19 H new ATOM 159 N ASN A 21 39.478 9.505 37.521 1.00 24.00 N ATOM 160 CA ASN A 21 39.585 8.486 38.551 1.00 21.62 C ATOM 161 C ASN A 21 38.341 8.532 39.443 1.00 20.63 C ATOM 162 O ASN A 21 37.794 7.490 39.801 1.00 18.72 O ATOM 163 CB ASN A 21 40.864 8.638 39.381 1.00 20.77 C ATOM 164 CG ASN A 21 41.090 7.469 40.327 1.00 22.71 C ATOM 165 OD1 ASN A 21 40.684 7.529 41.480 1.00 23.47 O ATOM 166 ND2 ASN A 21 41.743 6.404 39.862 1.00 19.85 N ATOM 0 H ASN A 21 40.107 10.092 37.528 1.00 24.00 H new ATOM 0 HA ASN A 21 39.638 7.620 38.118 1.00 21.62 H new ATOM 0 HB2 ASN A 21 41.625 8.719 38.785 1.00 20.77 H new ATOM 0 HB3 ASN A 21 40.817 9.460 39.894 1.00 20.77 H new ATOM 0 HD21 ASN A 21 41.890 5.731 40.377 1.00 19.85 H new ATOM 0 HD22 ASN A 21 42.017 6.390 39.047 1.00 19.85 H new ATOM 167 N LEU A 22 37.895 9.737 39.797 1.00 20.25 N ATOM 168 CA ALEU A 22 36.741 9.881 40.678 0.50 21.65 C ATOM 169 CA BLEU A 22 36.734 9.886 40.673 0.50 23.52 C ATOM 170 C LEU A 22 35.487 9.321 39.998 1.00 23.12 C ATOM 171 O LEU A 22 34.617 8.731 40.657 1.00 21.20 O ATOM 172 CB ALEU A 22 36.593 11.367 41.015 0.50 21.52 C ATOM 173 CB BLEU A 22 36.521 11.368 40.987 0.50 26.82 C ATOM 174 CG ALEU A 22 35.811 11.699 42.283 0.50 21.69 C ATOM 175 CG BLEU A 22 37.555 12.002 41.906 0.50 30.68 C ATOM 176 CD1ALEU A 22 36.452 11.043 43.506 0.50 23.70 C ATOM 177 CD1BLEU A 22 37.507 13.514 41.766 0.50 39.88 C ATOM 178 CD2ALEU A 22 35.775 13.203 42.461 0.50 20.82 C ATOM 179 CD2BLEU A 22 37.319 11.595 43.357 0.50 31.41 C ATOM 0 H ALEU A 22 38.245 10.479 39.539 0.50 20.25 H new ATOM 0 H BLEU A 22 38.249 10.478 39.542 0.50 20.25 H new ATOM 0 HA ALEU A 22 36.864 9.379 41.499 0.50 23.52 H new ATOM 0 HA BLEU A 22 36.893 9.397 41.496 0.50 23.52 H new ATOM 0 HB2ALEU A 22 37.480 11.751 41.095 0.50 26.82 H new ATOM 0 HB2BLEU A 22 36.510 11.861 40.151 0.50 26.82 H new ATOM 0 HB3ALEU A 22 36.160 11.807 40.267 0.50 26.82 H new ATOM 0 HB3BLEU A 22 35.645 11.474 41.391 0.50 26.82 H new ATOM 0 HG ALEU A 22 34.908 11.355 42.197 0.50 30.68 H new ATOM 0 HG BLEU A 22 38.434 11.685 41.647 0.50 30.68 H new ATOM 0 HD11ALEU A 22 35.940 11.267 44.299 0.50 39.88 H new ATOM 0 HD11BLEU A 22 38.167 13.915 42.353 0.50 39.88 H new ATOM 0 HD12ALEU A 22 36.462 10.080 43.389 0.50 39.88 H new ATOM 0 HD12BLEU A 22 37.699 13.760 40.848 0.50 39.88 H new ATOM 0 HD13ALEU A 22 37.361 11.365 43.607 0.50 39.88 H new ATOM 0 HD13BLEU A 22 36.624 13.834 42.008 0.50 39.88 H new ATOM 0 HD21ALEU A 22 35.279 13.422 43.265 0.50 31.41 H new ATOM 0 HD21BLEU A 22 37.989 12.010 43.923 0.50 31.41 H new ATOM 0 HD22ALEU A 22 36.681 13.542 42.537 0.50 31.41 H new ATOM 0 HD22BLEU A 22 36.436 11.885 43.635 0.50 31.41 H new ATOM 0 HD23ALEU A 22 35.342 13.610 41.694 0.50 31.41 H new ATOM 0 HD23BLEU A 22 37.382 10.630 43.437 0.50 31.41 H new ATOM 180 N TYR A 23 35.370 9.534 38.679 1.00 20.61 N ATOM 181 CA TYR A 23 34.155 9.087 38.001 1.00 22.51 C ATOM 182 C TYR A 23 34.164 7.568 37.846 1.00 21.51 C ATOM 183 O TYR A 23 33.109 6.934 37.944 1.00 21.57 O ATOM 184 CB TYR A 23 34.022 9.725 36.610 1.00 21.99 C ATOM 185 CG TYR A 23 33.157 10.960 36.587 1.00 26.52 C ATOM 186 CD1 TYR A 23 33.637 12.165 37.081 1.00 28.15 C ATOM 187 CD2 TYR A 23 31.856 10.935 36.088 1.00 24.64 C ATOM 188 CE1 TYR A 23 32.847 13.304 37.104 1.00 28.96 C ATOM 189 CE2 TYR A 23 31.056 12.075 36.089 1.00 24.55 C ATOM 190 CZ TYR A 23 31.546 13.256 36.623 1.00 29.74 C ATOM 191 OH TYR A 23 30.805 14.408 36.625 1.00 32.23 O ATOM 0 H TYR A 23 35.957 9.918 38.181 1.00 20.61 H new ATOM 0 HA TYR A 23 33.401 9.362 38.546 1.00 22.51 H new ATOM 0 HB2 TYR A 23 34.906 9.953 36.282 1.00 21.99 H new ATOM 0 HB3 TYR A 23 33.653 9.070 35.997 1.00 21.99 H new ATOM 0 HD1 TYR A 23 34.508 12.209 37.404 1.00 28.15 H new ATOM 0 HD2 TYR A 23 31.515 10.140 35.747 1.00 24.64 H new ATOM 0 HE1 TYR A 23 33.189 14.100 37.442 1.00 28.96 H new ATOM 0 HE2 TYR A 23 30.197 12.044 35.733 1.00 24.55 H new ATOM 0 HH TYR A 23 30.042 14.251 36.312 1.00 32.23 H new ATOM 192 N LEU A 24 35.348 6.992 37.548 1.00 19.28 N ATOM 193 CA LEU A 24 35.433 5.536 37.484 1.00 21.19 C ATOM 194 C LEU A 24 35.183 4.944 38.867 1.00 21.53 C ATOM 195 O LEU A 24 34.614 3.865 38.966 1.00 22.75 O ATOM 196 CB LEU A 24 36.795 5.064 36.964 1.00 18.85 C ATOM 197 CG LEU A 24 37.102 5.427 35.511 1.00 21.91 C ATOM 198 CD1 LEU A 24 38.526 5.044 35.146 1.00 23.43 C ATOM 199 CD2 LEU A 24 36.099 4.821 34.535 1.00 22.91 C ATOM 0 H LEU A 24 36.079 7.415 37.387 1.00 19.28 H new ATOM 0 HA LEU A 24 34.755 5.230 36.862 1.00 21.19 H new ATOM 0 HB2 LEU A 24 37.488 5.440 37.529 1.00 18.85 H new ATOM 0 HB3 LEU A 24 36.844 4.100 37.058 1.00 18.85 H new ATOM 0 HG LEU A 24 37.016 6.390 35.435 1.00 21.91 H new ATOM 0 HD11 LEU A 24 38.699 5.283 34.222 1.00 23.43 H new ATOM 0 HD12 LEU A 24 39.146 5.516 35.723 1.00 23.43 H new ATOM 0 HD13 LEU A 24 38.643 4.088 35.260 1.00 23.43 H new ATOM 0 HD21 LEU A 24 36.333 5.077 33.629 1.00 22.91 H new ATOM 0 HD22 LEU A 24 36.116 3.854 34.612 1.00 22.91 H new ATOM 0 HD23 LEU A 24 35.209 5.145 34.742 1.00 22.91 H new ATOM 200 N ARG A 25 35.667 5.607 39.923 1.00 18.86 N ATOM 201 CA ARG A 25 35.409 5.136 41.278 1.00 21.04 C ATOM 202 C ARG A 25 33.907 5.068 41.535 1.00 23.66 C ATOM 203 O ARG A 25 33.417 4.138 42.189 1.00 21.02 O ATOM 204 CB ARG A 25 36.013 6.096 42.309 1.00 22.66 C ATOM 205 CG ARG A 25 37.433 5.730 42.712 1.00 26.19 C ATOM 206 CD ARG A 25 38.041 6.829 43.576 1.00 32.46 C ATOM 207 NE ARG A 25 37.389 6.906 44.877 1.00 27.61 N ATOM 208 CZ ARG A 25 37.607 7.849 45.789 1.00 32.68 C ATOM 209 NH1 ARG A 25 38.455 8.839 45.549 1.00 32.47 N ATOM 210 NH2 ARG A 25 36.958 7.796 46.943 1.00 34.65 N ATOM 0 H ARG A 25 36.141 6.323 39.873 1.00 18.86 H new ATOM 0 HA ARG A 25 35.811 4.257 41.364 1.00 21.04 H new ATOM 0 HB2 ARG A 25 36.008 6.995 41.946 1.00 22.66 H new ATOM 0 HB3 ARG A 25 35.451 6.106 43.100 1.00 22.66 H new ATOM 0 HG2 ARG A 25 37.431 4.891 43.199 1.00 26.19 H new ATOM 0 HG3 ARG A 25 37.976 5.596 41.919 1.00 26.19 H new ATOM 0 HD2 ARG A 25 38.989 6.660 43.697 1.00 32.46 H new ATOM 0 HD3 ARG A 25 37.960 7.682 43.121 1.00 32.46 H new ATOM 0 HE ARG A 25 36.818 6.293 45.070 1.00 27.61 H new ATOM 0 HH11 ARG A 25 38.871 8.876 44.797 1.00 32.47 H new ATOM 0 HH12 ARG A 25 38.589 9.444 46.145 1.00 32.47 H new ATOM 0 HH21 ARG A 25 36.403 7.157 47.095 1.00 34.65 H new ATOM 0 HH22 ARG A 25 37.092 8.401 47.540 1.00 34.65 H new ATOM 211 N ALA A 26 33.203 6.129 41.105 1.00 19.81 N ATOM 212 CA ALA A 26 31.765 6.247 41.290 1.00 20.76 C ATOM 213 C ALA A 26 31.054 5.152 40.488 1.00 20.31 C ATOM 214 O ALA A 26 30.127 4.511 40.971 1.00 21.26 O ATOM 215 CB ALA A 26 31.337 7.623 40.822 1.00 21.07 C ATOM 0 H ALA A 26 33.557 6.798 40.697 1.00 19.81 H new ATOM 0 HA ALA A 26 31.529 6.138 42.225 1.00 20.76 H new ATOM 0 HB1 ALA A 26 30.379 7.721 40.938 1.00 21.07 H new ATOM 0 HB2 ALA A 26 31.796 8.300 41.344 1.00 21.07 H new ATOM 0 HB3 ALA A 26 31.562 7.731 39.885 1.00 21.07 H new ATOM 216 N SER A 27 31.510 4.911 39.259 1.00 21.52 N ATOM 217 CA SER A 27 30.962 3.821 38.474 1.00 23.14 C ATOM 218 C SER A 27 31.066 2.495 39.233 1.00 23.19 C ATOM 219 O SER A 27 30.118 1.718 39.254 1.00 21.62 O ATOM 220 CB SER A 27 31.645 3.721 37.148 1.00 22.38 C ATOM 221 OG SER A 27 30.955 2.755 36.379 1.00 23.85 O ATOM 0 H SER A 27 32.129 5.364 38.870 1.00 21.52 H new ATOM 0 HA SER A 27 30.023 4.010 38.318 1.00 23.14 H new ATOM 0 HB2 SER A 27 31.641 4.580 36.698 1.00 22.38 H new ATOM 0 HB3 SER A 27 32.574 3.465 37.262 1.00 22.38 H new ATOM 0 HG SER A 27 30.261 3.099 36.054 1.00 23.85 H new ATOM 222 N TYR A 28 32.252 2.227 39.789 1.00 22.79 N ATOM 223 CA TYR A 28 32.531 1.025 40.557 1.00 22.28 C ATOM 224 C TYR A 28 31.584 0.938 41.759 1.00 21.09 C ATOM 225 O TYR A 28 31.039 -0.121 42.041 1.00 19.48 O ATOM 226 CB TYR A 28 33.994 1.050 41.026 1.00 23.80 C ATOM 227 CG TYR A 28 34.617 -0.278 41.378 1.00 20.42 C ATOM 228 CD1 TYR A 28 33.991 -1.477 41.074 1.00 23.15 C ATOM 229 CD2 TYR A 28 35.874 -0.344 41.953 1.00 21.27 C ATOM 230 CE1 TYR A 28 34.605 -2.698 41.320 1.00 24.36 C ATOM 231 CE2 TYR A 28 36.490 -1.553 42.232 1.00 21.48 C ATOM 232 CZ TYR A 28 35.860 -2.738 41.896 1.00 21.08 C ATOM 233 OH TYR A 28 36.456 -3.930 42.188 1.00 22.56 O ATOM 0 H TYR A 28 32.927 2.755 39.725 1.00 22.79 H new ATOM 0 HA TYR A 28 32.390 0.244 40.000 1.00 22.28 H new ATOM 0 HB2 TYR A 28 34.529 1.459 40.328 1.00 23.80 H new ATOM 0 HB3 TYR A 28 34.053 1.627 41.803 1.00 23.80 H new ATOM 0 HD1 TYR A 28 33.141 -1.463 40.697 1.00 23.15 H new ATOM 0 HD2 TYR A 28 36.318 0.447 42.158 1.00 21.27 H new ATOM 0 HE1 TYR A 28 34.171 -3.490 41.097 1.00 24.36 H new ATOM 0 HE2 TYR A 28 37.324 -1.568 42.644 1.00 21.48 H new ATOM 0 HH TYR A 28 37.210 -3.790 42.531 1.00 22.56 H new ATOM 234 N THR A 29 31.372 2.055 42.455 1.00 20.24 N ATOM 235 CA THR A 29 30.444 2.090 43.577 1.00 19.90 C ATOM 236 C THR A 29 29.035 1.664 43.142 1.00 20.46 C ATOM 237 O THR A 29 28.379 0.838 43.799 1.00 20.34 O ATOM 238 CB THR A 29 30.473 3.471 44.246 1.00 18.79 C ATOM 239 OG1 THR A 29 31.810 3.572 44.769 1.00 21.44 O ATOM 240 CG2 THR A 29 29.481 3.568 45.388 1.00 18.24 C ATOM 0 H THR A 29 31.759 2.805 42.290 1.00 20.24 H new ATOM 0 HA THR A 29 30.727 1.445 44.244 1.00 19.90 H new ATOM 0 HB THR A 29 30.238 4.174 43.621 1.00 18.79 H new ATOM 0 HG1 THR A 29 32.349 3.700 44.138 1.00 21.44 H new ATOM 0 HG21 THR A 29 29.529 4.452 45.784 1.00 18.24 H new ATOM 0 HG22 THR A 29 28.584 3.413 45.052 1.00 18.24 H new ATOM 0 HG23 THR A 29 29.694 2.901 46.060 1.00 18.24 H new ATOM 241 N TYR A 30 28.572 2.208 42.011 1.00 19.26 N ATOM 242 CA TYR A 30 27.222 1.911 41.550 1.00 20.09 C ATOM 243 C TYR A 30 27.086 0.452 41.121 1.00 20.79 C ATOM 244 O TYR A 30 26.011 -0.138 41.286 1.00 22.00 O ATOM 245 CB TYR A 30 26.776 2.924 40.488 1.00 21.60 C ATOM 246 CG TYR A 30 26.477 4.285 41.059 1.00 20.59 C ATOM 247 CD1 TYR A 30 25.636 4.424 42.158 1.00 22.25 C ATOM 248 CD2 TYR A 30 27.022 5.435 40.507 1.00 23.03 C ATOM 249 CE1 TYR A 30 25.356 5.658 42.717 1.00 24.21 C ATOM 250 CE2 TYR A 30 26.750 6.682 41.059 1.00 22.18 C ATOM 251 CZ TYR A 30 25.927 6.794 42.166 1.00 26.56 C ATOM 252 OH TYR A 30 25.629 8.031 42.670 1.00 24.56 O ATOM 0 H TYR A 30 29.019 2.742 41.507 1.00 19.26 H new ATOM 0 HA TYR A 30 26.605 2.014 42.291 1.00 20.09 H new ATOM 0 HB2 TYR A 30 27.470 3.007 39.816 1.00 21.60 H new ATOM 0 HB3 TYR A 30 25.985 2.587 40.039 1.00 21.60 H new ATOM 0 HD1 TYR A 30 25.250 3.664 42.529 1.00 22.25 H new ATOM 0 HD2 TYR A 30 27.574 5.371 39.761 1.00 23.03 H new ATOM 0 HE1 TYR A 30 24.792 5.724 43.453 1.00 24.21 H new ATOM 0 HE2 TYR A 30 27.124 7.446 40.682 1.00 22.18 H new ATOM 0 HH TYR A 30 26.178 8.594 42.374 1.00 24.56 H new ATOM 253 N LEU A 31 28.123 -0.100 40.470 1.00 19.77 N ATOM 254 CA LEU A 31 28.155 -1.526 40.138 1.00 22.43 C ATOM 255 C LEU A 31 27.918 -2.383 41.393 1.00 22.22 C ATOM 256 O LEU A 31 27.124 -3.323 41.377 1.00 22.49 O ATOM 257 CB LEU A 31 29.506 -1.864 39.488 1.00 24.82 C ATOM 258 CG LEU A 31 29.702 -3.349 39.164 1.00 31.74 C ATOM 259 CD1 LEU A 31 28.892 -3.733 37.925 1.00 33.34 C ATOM 260 CD2 LEU A 31 31.175 -3.703 38.968 1.00 31.08 C ATOM 0 H LEU A 31 28.817 0.339 40.214 1.00 19.77 H new ATOM 0 HA LEU A 31 27.443 -1.725 39.510 1.00 22.43 H new ATOM 0 HB2 LEU A 31 29.595 -1.352 38.669 1.00 24.82 H new ATOM 0 HB3 LEU A 31 30.218 -1.577 40.081 1.00 24.82 H new ATOM 0 HG LEU A 31 29.381 -3.858 39.925 1.00 31.74 H new ATOM 0 HD11 LEU A 31 29.024 -4.674 37.731 1.00 33.34 H new ATOM 0 HD12 LEU A 31 27.951 -3.566 38.089 1.00 33.34 H new ATOM 0 HD13 LEU A 31 29.187 -3.202 37.168 1.00 33.34 H new ATOM 0 HD21 LEU A 31 31.257 -4.648 38.765 1.00 31.08 H new ATOM 0 HD22 LEU A 31 31.538 -3.183 38.234 1.00 31.08 H new ATOM 0 HD23 LEU A 31 31.667 -3.503 39.780 1.00 31.08 H new ATOM 261 N SER A 32 28.586 -2.028 42.494 1.00 20.24 N ATOM 262 CA SER A 32 28.465 -2.739 43.764 1.00 21.41 C ATOM 263 C SER A 32 27.070 -2.568 44.350 1.00 20.94 C ATOM 264 O SER A 32 26.465 -3.546 44.816 1.00 20.16 O ATOM 265 CB SER A 32 29.506 -2.254 44.736 1.00 19.53 C ATOM 266 OG SER A 32 29.281 -2.821 46.007 1.00 21.38 O ATOM 0 H SER A 32 29.127 -1.360 42.522 1.00 20.24 H new ATOM 0 HA SER A 32 28.610 -3.684 43.599 1.00 21.41 H new ATOM 0 HB2 SER A 32 30.391 -2.493 44.419 1.00 19.53 H new ATOM 0 HB3 SER A 32 29.478 -1.286 44.796 1.00 19.53 H new ATOM 0 HG SER A 32 30.006 -2.857 46.430 1.00 21.38 H new ATOM 267 N LEU A 33 26.564 -1.322 44.341 1.00 18.40 N ATOM 268 CA LEU A 33 25.210 -1.069 44.825 1.00 21.72 C ATOM 269 C LEU A 33 24.195 -1.905 44.043 1.00 21.22 C ATOM 270 O LEU A 33 23.335 -2.545 44.645 1.00 21.35 O ATOM 271 CB LEU A 33 24.878 0.425 44.714 1.00 22.17 C ATOM 272 CG LEU A 33 25.339 1.255 45.912 1.00 20.67 C ATOM 273 CD1 LEU A 33 25.495 2.705 45.502 1.00 26.60 C ATOM 274 CD2 LEU A 33 24.330 1.134 47.043 1.00 22.18 C ATOM 0 H LEU A 33 26.986 -0.626 44.062 1.00 18.40 H new ATOM 0 HA LEU A 33 25.161 -1.328 45.759 1.00 21.72 H new ATOM 0 HB2 LEU A 33 25.289 0.779 43.910 1.00 22.17 H new ATOM 0 HB3 LEU A 33 23.919 0.527 44.611 1.00 22.17 H new ATOM 0 HG LEU A 33 26.196 0.922 46.221 1.00 20.67 H new ATOM 0 HD11 LEU A 33 25.788 3.228 46.265 1.00 26.60 H new ATOM 0 HD12 LEU A 33 26.154 2.772 44.793 1.00 26.60 H new ATOM 0 HD13 LEU A 33 24.644 3.045 45.185 1.00 26.60 H new ATOM 0 HD21 LEU A 33 24.627 1.662 47.800 1.00 22.18 H new ATOM 0 HD22 LEU A 33 23.466 1.458 46.743 1.00 22.18 H new ATOM 0 HD23 LEU A 33 24.252 0.204 47.309 1.00 22.18 H new ATOM 275 N GLY A 34 24.312 -1.893 42.711 1.00 21.40 N ATOM 276 CA GLY A 34 23.464 -2.685 41.824 1.00 22.11 C ATOM 277 C GLY A 34 23.420 -4.167 42.200 1.00 22.79 C ATOM 278 O GLY A 34 22.350 -4.752 42.350 1.00 22.08 O ATOM 0 H GLY A 34 24.895 -1.417 42.295 1.00 21.40 H new ATOM 0 HA2 GLY A 34 22.563 -2.326 41.841 1.00 22.11 H new ATOM 0 HA3 GLY A 34 23.787 -2.597 40.914 1.00 22.11 H new ATOM 279 N PHE A 35 24.592 -4.796 42.312 1.00 20.26 N ATOM 280 CA PHE A 35 24.580 -6.223 42.563 1.00 21.74 C ATOM 281 C PHE A 35 24.113 -6.526 43.982 1.00 22.91 C ATOM 282 O PHE A 35 23.642 -7.629 44.222 1.00 24.06 O ATOM 283 CB PHE A 35 25.928 -6.879 42.228 1.00 24.17 C ATOM 284 CG PHE A 35 26.036 -7.151 40.751 1.00 26.76 C ATOM 285 CD1 PHE A 35 25.269 -8.151 40.169 1.00 29.16 C ATOM 286 CD2 PHE A 35 26.803 -6.336 39.929 1.00 29.91 C ATOM 287 CE1 PHE A 35 25.288 -8.361 38.798 1.00 30.39 C ATOM 288 CE2 PHE A 35 26.841 -6.558 38.558 1.00 30.58 C ATOM 289 CZ PHE A 35 26.072 -7.556 37.995 1.00 35.68 C ATOM 0 H PHE A 35 25.367 -4.430 42.248 1.00 20.26 H new ATOM 0 HA PHE A 35 23.933 -6.624 41.961 1.00 21.74 H new ATOM 0 HB2 PHE A 35 26.653 -6.299 42.509 1.00 24.17 H new ATOM 0 HB3 PHE A 35 26.021 -7.709 42.722 1.00 24.17 H new ATOM 0 HD1 PHE A 35 24.734 -8.689 40.707 1.00 29.16 H new ATOM 0 HD2 PHE A 35 27.294 -5.638 40.298 1.00 29.91 H new ATOM 0 HE1 PHE A 35 24.776 -9.040 38.422 1.00 30.39 H new ATOM 0 HE2 PHE A 35 27.386 -6.032 38.018 1.00 30.58 H new ATOM 0 HZ PHE A 35 26.082 -7.687 37.074 1.00 35.68 H new ATOM 290 N TYR A 36 24.291 -5.582 44.922 1.00 19.46 N ATOM 291 CA TYR A 36 23.770 -5.799 46.270 1.00 20.18 C ATOM 292 C TYR A 36 22.245 -5.932 46.256 1.00 21.99 C ATOM 293 O TYR A 36 21.664 -6.808 46.922 1.00 21.97 O ATOM 294 CB TYR A 36 24.273 -4.715 47.226 1.00 19.35 C ATOM 295 CG TYR A 36 23.543 -4.679 48.542 1.00 21.26 C ATOM 296 CD1 TYR A 36 23.863 -5.550 49.574 1.00 21.06 C ATOM 297 CD2 TYR A 36 22.495 -3.793 48.736 1.00 20.97 C ATOM 298 CE1 TYR A 36 23.166 -5.544 50.779 1.00 23.40 C ATOM 299 CE2 TYR A 36 21.805 -3.756 49.933 1.00 22.29 C ATOM 300 CZ TYR A 36 22.146 -4.623 50.958 1.00 23.00 C ATOM 301 OH TYR A 36 21.416 -4.562 52.112 1.00 23.46 O ATOM 0 H TYR A 36 24.698 -4.834 44.800 1.00 19.46 H new ATOM 0 HA TYR A 36 24.111 -6.643 46.606 1.00 20.18 H new ATOM 0 HB2 TYR A 36 25.218 -4.857 47.394 1.00 19.35 H new ATOM 0 HB3 TYR A 36 24.188 -3.850 46.795 1.00 19.35 H new ATOM 0 HD1 TYR A 36 24.561 -6.153 49.458 1.00 21.06 H new ATOM 0 HD2 TYR A 36 22.252 -3.214 48.050 1.00 20.97 H new ATOM 0 HE1 TYR A 36 23.381 -6.148 51.453 1.00 23.40 H new ATOM 0 HE2 TYR A 36 21.111 -3.148 50.050 1.00 22.29 H new ATOM 0 HH TYR A 36 21.001 -3.832 52.143 1.00 23.46 H new ATOM 302 N PHE A 37 21.581 -5.067 45.477 1.00 19.69 N ATOM 303 CA PHE A 37 20.125 -5.064 45.474 1.00 20.25 C ATOM 304 C PHE A 37 19.581 -6.226 44.650 1.00 21.86 C ATOM 305 O PHE A 37 18.378 -6.479 44.658 1.00 22.95 O ATOM 306 CB PHE A 37 19.592 -3.699 45.035 1.00 21.12 C ATOM 307 CG PHE A 37 19.665 -2.694 46.152 1.00 19.86 C ATOM 308 CD1 PHE A 37 18.733 -2.715 47.176 1.00 20.79 C ATOM 309 CD2 PHE A 37 20.690 -1.759 46.188 1.00 20.41 C ATOM 310 CE1 PHE A 37 18.838 -1.834 48.245 1.00 22.46 C ATOM 311 CE2 PHE A 37 20.812 -0.895 47.266 1.00 22.01 C ATOM 312 CZ PHE A 37 19.880 -0.920 48.280 1.00 22.30 C ATOM 0 H PHE A 37 21.950 -4.490 44.957 1.00 19.69 H new ATOM 0 HA PHE A 37 19.802 -5.204 46.378 1.00 20.25 H new ATOM 0 HB2 PHE A 37 20.104 -3.379 44.276 1.00 21.12 H new ATOM 0 HB3 PHE A 37 18.673 -3.789 44.739 1.00 21.12 H new ATOM 0 HD1 PHE A 37 18.031 -3.324 47.148 1.00 20.79 H new ATOM 0 HD2 PHE A 37 21.298 -1.712 45.486 1.00 20.41 H new ATOM 0 HE1 PHE A 37 18.213 -1.857 48.933 1.00 22.46 H new ATOM 0 HE2 PHE A 37 21.524 -0.298 47.304 1.00 22.01 H new ATOM 0 HZ PHE A 37 19.950 -0.323 48.989 1.00 22.30 H new ATOM 313 N ASP A 38 20.487 -6.962 44.003 1.00 21.27 N ATOM 314 CA ASP A 38 20.147 -8.122 43.188 1.00 23.28 C ATOM 315 C ASP A 38 20.338 -9.412 44.000 1.00 22.66 C ATOM 316 O ASP A 38 19.997 -10.490 43.528 1.00 23.91 O ATOM 317 CB ASP A 38 20.984 -8.121 41.901 1.00 24.69 C ATOM 318 CG ASP A 38 20.850 -9.347 40.999 1.00 31.39 C ATOM 319 OD1 ASP A 38 19.748 -9.606 40.526 1.00 33.05 O ATOM 320 OD2 ASP A 38 21.878 -10.019 40.748 1.00 34.64 O ATOM 0 H ASP A 38 21.330 -6.795 44.028 1.00 21.27 H new ATOM 0 HA ASP A 38 19.213 -8.077 42.930 1.00 23.28 H new ATOM 0 HB2 ASP A 38 20.745 -7.336 41.384 1.00 24.69 H new ATOM 0 HB3 ASP A 38 21.918 -8.025 42.146 1.00 24.69 H new ATOM 321 N ARG A 39 20.885 -9.313 45.217 1.00 21.06 N ATOM 322 CA ARG A 39 21.007 -10.478 46.084 1.00 23.64 C ATOM 323 C ARG A 39 19.641 -11.065 46.422 1.00 25.58 C ATOM 324 O ARG A 39 18.665 -10.327 46.572 1.00 24.21 O ATOM 325 CB ARG A 39 21.675 -10.115 47.412 1.00 22.74 C ATOM 326 CG ARG A 39 23.171 -9.890 47.260 1.00 21.06 C ATOM 327 CD ARG A 39 23.803 -9.387 48.544 1.00 20.97 C ATOM 328 NE ARG A 39 23.315 -9.904 49.822 1.00 25.44 N ATOM 329 CZ ARG A 39 23.895 -9.694 51.028 1.00 33.04 C ATOM 330 NH1 ARG A 39 25.084 -9.107 51.142 1.00 29.93 N ATOM 331 NH2 ARG A 39 23.312 -10.134 52.127 1.00 36.43 N ATOM 0 H ARG A 39 21.189 -8.582 45.553 1.00 21.06 H new ATOM 0 HA ARG A 39 21.543 -11.122 45.595 1.00 23.64 H new ATOM 0 HB2 ARG A 39 21.264 -9.313 47.770 1.00 22.74 H new ATOM 0 HB3 ARG A 39 21.520 -10.825 48.055 1.00 22.74 H new ATOM 0 HG2 ARG A 39 23.597 -10.720 46.994 1.00 21.06 H new ATOM 0 HG3 ARG A 39 23.330 -9.249 46.549 1.00 21.06 H new ATOM 0 HD2 ARG A 39 24.754 -9.574 48.496 1.00 20.97 H new ATOM 0 HD3 ARG A 39 23.704 -8.422 48.561 1.00 20.97 H new ATOM 0 HE ARG A 39 22.600 -10.381 49.807 1.00 25.44 H new ATOM 0 HH11 ARG A 39 25.506 -8.849 50.438 1.00 29.93 H new ATOM 0 HH12 ARG A 39 25.431 -8.985 51.920 1.00 29.93 H new ATOM 0 HH21 ARG A 39 22.563 -10.554 52.078 1.00 36.43 H new ATOM 0 HH22 ARG A 39 23.681 -10.000 52.892 1.00 36.43 H new ATOM 332 N ASP A 40 19.592 -12.394 46.595 1.00 22.68 N ATOM 333 CA ASP A 40 18.302 -13.047 46.773 1.00 26.50 C ATOM 334 C ASP A 40 17.713 -12.618 48.118 1.00 23.73 C ATOM 335 O ASP A 40 16.498 -12.695 48.315 1.00 23.37 O ATOM 336 CB ASP A 40 18.390 -14.579 46.677 1.00 24.35 C ATOM 337 CG ASP A 40 19.064 -15.184 47.902 1.00 30.53 C ATOM 338 OD1 ASP A 40 20.317 -15.155 47.977 1.00 33.43 O ATOM 339 OD2 ASP A 40 18.334 -15.594 48.815 1.00 31.83 O ATOM 0 H ASP A 40 20.276 -12.916 46.611 1.00 22.68 H new ATOM 0 HA ASP A 40 17.720 -12.768 46.049 1.00 26.50 H new ATOM 0 HB2 ASP A 40 17.498 -14.949 46.582 1.00 24.35 H new ATOM 0 HB3 ASP A 40 18.885 -14.825 45.880 1.00 24.35 H new ATOM 340 N ASP A 41 18.577 -12.170 49.036 1.00 22.63 N ATOM 341 CA ASP A 41 18.134 -11.781 50.367 1.00 23.69 C ATOM 342 C ASP A 41 17.896 -10.273 50.455 1.00 24.04 C ATOM 343 O ASP A 41 17.706 -9.740 51.545 1.00 20.95 O ATOM 344 CB ASP A 41 19.080 -12.291 51.467 1.00 23.87 C ATOM 345 CG ASP A 41 20.495 -11.713 51.404 1.00 29.46 C ATOM 346 OD1 ASP A 41 20.818 -11.010 50.447 1.00 24.76 O ATOM 347 OD2 ASP A 41 21.281 -11.995 52.312 1.00 28.88 O ATOM 0 H ASP A 41 19.422 -12.086 48.902 1.00 22.63 H new ATOM 0 HA ASP A 41 17.280 -12.214 50.525 1.00 23.69 H new ATOM 0 HB2 ASP A 41 18.695 -12.081 52.332 1.00 23.87 H new ATOM 0 HB3 ASP A 41 19.135 -13.258 51.408 1.00 23.87 H new ATOM 348 N VAL A 42 17.870 -9.593 49.311 1.00 21.52 N ATOM 349 CA VAL A 42 17.611 -8.162 49.283 1.00 21.36 C ATOM 350 C VAL A 42 16.505 -7.916 48.255 1.00 19.77 C ATOM 351 O VAL A 42 15.435 -7.394 48.604 1.00 23.66 O ATOM 352 CB VAL A 42 18.899 -7.380 48.923 1.00 22.66 C ATOM 353 CG1 VAL A 42 18.627 -5.880 48.839 1.00 22.47 C ATOM 354 CG2 VAL A 42 20.037 -7.663 49.907 1.00 22.69 C ATOM 0 H VAL A 42 18.001 -9.947 48.538 1.00 21.52 H new ATOM 0 HA VAL A 42 17.328 -7.848 50.156 1.00 21.36 H new ATOM 0 HB VAL A 42 19.183 -7.692 48.049 1.00 22.66 H new ATOM 0 HG11 VAL A 42 19.447 -5.414 48.613 1.00 22.47 H new ATOM 0 HG12 VAL A 42 17.960 -5.710 48.156 1.00 22.47 H new ATOM 0 HG13 VAL A 42 18.301 -5.562 49.695 1.00 22.47 H new ATOM 0 HG21 VAL A 42 20.823 -7.156 49.648 1.00 22.69 H new ATOM 0 HG22 VAL A 42 19.765 -7.402 50.801 1.00 22.69 H new ATOM 0 HG23 VAL A 42 20.246 -8.610 49.897 1.00 22.69 H new ATOM 355 N ALA A 43 16.751 -8.366 47.013 1.00 19.68 N ATOM 356 CA ALA A 43 15.740 -8.581 45.977 1.00 22.38 C ATOM 357 C ALA A 43 14.864 -7.340 45.766 1.00 21.39 C ATOM 358 O ALA A 43 13.631 -7.385 45.919 1.00 23.75 O ATOM 359 CB ALA A 43 14.872 -9.782 46.337 1.00 22.47 C ATOM 0 H ALA A 43 17.545 -8.560 46.747 1.00 19.68 H new ATOM 0 HA ALA A 43 16.205 -8.755 45.144 1.00 22.38 H new ATOM 0 HB1 ALA A 43 14.205 -9.918 45.646 1.00 22.47 H new ATOM 0 HB2 ALA A 43 15.428 -10.573 46.409 1.00 22.47 H new ATOM 0 HB3 ALA A 43 14.430 -9.620 47.185 1.00 22.47 H new ATOM 360 N LEU A 44 15.492 -6.241 45.355 1.00 21.31 N ATOM 361 CA LEU A 44 14.758 -5.041 44.990 1.00 20.85 C ATOM 362 C LEU A 44 15.171 -4.642 43.582 1.00 21.56 C ATOM 363 O LEU A 44 16.042 -3.802 43.403 1.00 22.33 O ATOM 364 CB LEU A 44 15.029 -3.942 46.020 1.00 20.32 C ATOM 365 CG LEU A 44 14.369 -4.179 47.374 1.00 20.12 C ATOM 366 CD1 LEU A 44 15.025 -3.396 48.495 1.00 21.55 C ATOM 367 CD2 LEU A 44 12.867 -3.868 47.320 1.00 19.58 C ATOM 0 H LEU A 44 16.346 -6.173 45.282 1.00 21.31 H new ATOM 0 HA LEU A 44 13.801 -5.196 44.992 1.00 20.85 H new ATOM 0 HB2 LEU A 44 15.987 -3.862 46.148 1.00 20.32 H new ATOM 0 HB3 LEU A 44 14.718 -3.095 45.664 1.00 20.32 H new ATOM 0 HG LEU A 44 14.491 -5.121 47.572 1.00 20.12 H new ATOM 0 HD11 LEU A 44 14.569 -3.582 49.330 1.00 21.55 H new ATOM 0 HD12 LEU A 44 15.956 -3.657 48.571 1.00 21.55 H new ATOM 0 HD13 LEU A 44 14.971 -2.447 48.302 1.00 21.55 H new ATOM 0 HD21 LEU A 44 12.472 -4.026 48.192 1.00 19.58 H new ATOM 0 HD22 LEU A 44 12.737 -2.940 47.071 1.00 19.58 H new ATOM 0 HD23 LEU A 44 12.441 -4.441 46.663 1.00 19.58 H new ATOM 368 N GLU A 45 14.530 -5.266 42.584 1.00 21.17 N ATOM 369 CA GLU A 45 14.973 -5.177 41.199 1.00 23.14 C ATOM 370 C GLU A 45 15.001 -3.720 40.716 1.00 24.00 C ATOM 371 O GLU A 45 15.894 -3.326 39.964 1.00 25.81 O ATOM 372 CB GLU A 45 14.042 -6.023 40.322 1.00 26.41 C ATOM 373 CG GLU A 45 14.500 -6.168 38.877 1.00 40.34 C ATOM 374 CD GLU A 45 13.570 -7.048 38.044 1.00 54.31 C ATOM 375 OE1 GLU A 45 12.791 -7.827 38.650 1.00 51.11 O ATOM 376 OE2 GLU A 45 13.621 -6.968 36.789 1.00 66.73 O ATOM 0 H GLU A 45 13.828 -5.750 42.698 1.00 21.17 H new ATOM 0 HA GLU A 45 15.879 -5.518 41.134 1.00 23.14 H new ATOM 0 HB2 GLU A 45 13.960 -6.906 40.714 1.00 26.41 H new ATOM 0 HB3 GLU A 45 13.157 -5.626 40.331 1.00 26.41 H new ATOM 0 HG2 GLU A 45 14.556 -5.289 38.471 1.00 40.34 H new ATOM 0 HG3 GLU A 45 15.394 -6.545 38.862 1.00 40.34 H new ATOM 377 N GLY A 46 14.010 -2.919 41.107 1.00 23.27 N ATOM 378 CA GLY A 46 13.973 -1.532 40.654 1.00 23.23 C ATOM 379 C GLY A 46 15.142 -0.720 41.232 1.00 21.69 C ATOM 380 O GLY A 46 15.668 0.195 40.594 1.00 20.77 O ATOM 0 H GLY A 46 13.363 -3.154 41.623 1.00 23.27 H new ATOM 0 HA2 GLY A 46 14.007 -1.506 39.685 1.00 23.23 H new ATOM 0 HA3 GLY A 46 13.133 -1.126 40.919 1.00 23.23 H new ATOM 381 N VAL A 47 15.585 -1.088 42.433 1.00 18.18 N ATOM 382 CA VAL A 47 16.702 -0.383 43.048 1.00 20.32 C ATOM 383 C VAL A 47 18.001 -0.812 42.353 1.00 23.59 C ATOM 384 O VAL A 47 18.863 0.016 42.038 1.00 24.13 O ATOM 385 CB VAL A 47 16.762 -0.567 44.582 1.00 20.97 C ATOM 386 CG1 VAL A 47 17.968 0.144 45.205 1.00 19.54 C ATOM 387 CG2 VAL A 47 15.470 -0.147 45.281 1.00 20.99 C ATOM 0 H VAL A 47 15.258 -1.732 42.900 1.00 18.18 H new ATOM 0 HA VAL A 47 16.574 0.570 42.922 1.00 20.32 H new ATOM 0 HB VAL A 47 16.870 -1.520 44.724 1.00 20.97 H new ATOM 0 HG11 VAL A 47 17.967 0.003 46.165 1.00 19.54 H new ATOM 0 HG12 VAL A 47 18.786 -0.215 44.827 1.00 19.54 H new ATOM 0 HG13 VAL A 47 17.916 1.094 45.018 1.00 19.54 H new ATOM 0 HG21 VAL A 47 15.561 -0.282 46.237 1.00 20.99 H new ATOM 0 HG22 VAL A 47 15.295 0.790 45.102 1.00 20.99 H new ATOM 0 HG23 VAL A 47 14.733 -0.682 44.948 1.00 20.99 H new HETATM 388 N CSO A 48 18.138 -2.118 42.102 1.00 20.74 N HETATM 389 CA CSO A 48 19.252 -2.597 41.296 1.00 24.23 C HETATM 390 CB CSO A 48 19.107 -4.082 41.036 1.00 24.40 C HETATM 391 SG CSO A 48 20.332 -4.761 39.875 1.00 29.95 S HETATM 392 C CSO A 48 19.327 -1.835 39.964 1.00 26.94 C HETATM 393 O CSO A 48 20.401 -1.383 39.540 1.00 22.94 O HETATM 394 OD CSO A 48 19.765 -4.659 38.294 1.00 28.85 O HETATM 0 HD CSO A 48 19.972 -5.358 37.876 1.00 28.85 H new HETATM 0 HB3 CSO A 48 19.179 -4.556 41.879 1.00 24.40 H new HETATM 0 HB2 CSO A 48 18.218 -4.254 40.689 1.00 24.40 H new HETATM 0 HA CSO A 48 20.074 -2.440 41.787 1.00 24.23 H new HETATM 0 H CSO A 48 17.524 -2.665 42.355 1.00 20.74 H new ATOM 395 N HIS A 49 18.178 -1.695 39.285 1.00 24.00 N ATOM 396 CA HIS A 49 18.151 -1.076 37.966 1.00 26.92 C ATOM 397 C HIS A 49 18.588 0.392 38.023 1.00 24.87 C ATOM 398 O HIS A 49 19.299 0.869 37.131 1.00 22.65 O ATOM 399 CB HIS A 49 16.759 -1.252 37.314 1.00 34.48 C ATOM 400 CG HIS A 49 16.700 -0.634 35.959 1.00 50.30 C ATOM 401 ND1 HIS A 49 17.116 -1.313 34.818 1.00 65.64 N ATOM 402 CD2 HIS A 49 16.392 0.625 35.564 1.00 63.74 C ATOM 403 CE1 HIS A 49 17.032 -0.507 33.774 1.00 65.27 C ATOM 404 NE2 HIS A 49 16.586 0.690 34.207 1.00 66.26 N ATOM 0 H HIS A 49 17.411 -1.953 39.575 1.00 24.00 H new ATOM 0 HA HIS A 49 18.796 -1.530 37.402 1.00 26.92 H new ATOM 0 HB2 HIS A 49 16.550 -2.197 37.248 1.00 34.48 H new ATOM 0 HB3 HIS A 49 16.083 -0.851 37.882 1.00 34.48 H new ATOM 0 HD2 HIS A 49 16.102 1.318 36.112 1.00 63.74 H new ATOM 0 HE1 HIS A 49 17.243 -0.727 32.895 1.00 65.27 H new ATOM 0 HE2 HIS A 49 16.446 1.380 33.714 1.00 66.26 H new ATOM 405 N PHE A 50 18.098 1.129 39.039 1.00 23.58 N ATOM 406 CA PHE A 50 18.483 2.515 39.277 1.00 22.64 C ATOM 407 C PHE A 50 20.012 2.632 39.382 1.00 21.65 C ATOM 408 O PHE A 50 20.626 3.487 38.751 1.00 19.45 O ATOM 409 CB PHE A 50 17.852 3.019 40.575 1.00 21.70 C ATOM 410 CG PHE A 50 18.195 4.440 40.962 1.00 24.07 C ATOM 411 CD1 PHE A 50 17.593 5.521 40.335 1.00 26.11 C ATOM 412 CD2 PHE A 50 19.086 4.696 41.992 1.00 22.86 C ATOM 413 CE1 PHE A 50 17.923 6.827 40.678 1.00 27.82 C ATOM 414 CE2 PHE A 50 19.380 6.000 42.369 1.00 27.81 C ATOM 415 CZ PHE A 50 18.806 7.066 41.711 1.00 27.32 C ATOM 0 H PHE A 50 17.529 0.826 39.608 1.00 23.58 H new ATOM 0 HA PHE A 50 18.169 3.052 38.533 1.00 22.64 H new ATOM 0 HB2 PHE A 50 16.888 2.946 40.496 1.00 21.70 H new ATOM 0 HB3 PHE A 50 18.123 2.430 41.297 1.00 21.70 H new ATOM 0 HD1 PHE A 50 16.957 5.369 39.673 1.00 26.11 H new ATOM 0 HD2 PHE A 50 19.492 3.987 42.436 1.00 22.86 H new ATOM 0 HE1 PHE A 50 17.549 7.539 40.212 1.00 27.82 H new ATOM 0 HE2 PHE A 50 19.969 6.155 43.072 1.00 27.81 H new ATOM 0 HZ PHE A 50 19.012 7.938 41.961 1.00 27.32 H new ATOM 416 N PHE A 51 20.645 1.778 40.184 1.00 22.66 N ATOM 417 CA PHE A 51 22.088 1.904 40.376 1.00 21.77 C ATOM 418 C PHE A 51 22.887 1.407 39.168 1.00 23.44 C ATOM 419 O PHE A 51 23.940 1.961 38.849 1.00 23.03 O ATOM 420 CB PHE A 51 22.501 1.309 41.722 1.00 21.53 C ATOM 421 CG PHE A 51 22.038 2.132 42.900 1.00 23.66 C ATOM 422 CD1 PHE A 51 22.392 3.473 43.018 1.00 22.55 C ATOM 423 CD2 PHE A 51 21.233 1.577 43.884 1.00 19.62 C ATOM 424 CE1 PHE A 51 21.982 4.218 44.114 1.00 22.51 C ATOM 425 CE2 PHE A 51 20.846 2.317 44.995 1.00 21.89 C ATOM 426 CZ PHE A 51 21.197 3.647 45.103 1.00 21.66 C ATOM 0 H PHE A 51 20.270 1.135 40.615 1.00 22.66 H new ATOM 0 HA PHE A 51 22.318 2.845 40.423 1.00 21.77 H new ATOM 0 HB2 PHE A 51 22.138 0.413 41.798 1.00 21.53 H new ATOM 0 HB3 PHE A 51 23.467 1.228 41.751 1.00 21.53 H new ATOM 0 HD1 PHE A 51 22.908 3.873 42.356 1.00 22.55 H new ATOM 0 HD2 PHE A 51 20.948 0.696 43.799 1.00 19.62 H new ATOM 0 HE1 PHE A 51 22.237 5.110 44.186 1.00 22.51 H new ATOM 0 HE2 PHE A 51 20.348 1.914 45.669 1.00 21.89 H new ATOM 0 HZ PHE A 51 20.911 4.153 45.829 1.00 21.66 H new ATOM 427 N ARG A 52 22.415 0.358 38.478 1.00 24.57 N ATOM 428 CA ARG A 52 23.145 -0.136 37.310 1.00 28.47 C ATOM 429 C ARG A 52 23.175 0.931 36.216 1.00 27.43 C ATOM 430 O ARG A 52 24.183 1.093 35.530 1.00 24.68 O ATOM 431 CB ARG A 52 22.580 -1.456 36.764 1.00 30.75 C ATOM 432 CG ARG A 52 22.673 -2.607 37.758 1.00 48.20 C ATOM 433 CD ARG A 52 22.946 -4.016 37.254 1.00 57.66 C ATOM 434 NE ARG A 52 24.098 -4.155 36.378 1.00 74.06 N ATOM 435 CZ ARG A 52 24.378 -5.247 35.675 1.00 82.06 C ATOM 436 NH1 ARG A 52 23.603 -6.316 35.767 1.00 88.87 N ATOM 437 NH2 ARG A 52 25.436 -5.265 34.885 1.00 87.05 N ATOM 0 H ARG A 52 21.693 -0.069 38.666 1.00 24.57 H new ATOM 0 HA ARG A 52 24.051 -0.325 37.602 1.00 28.47 H new ATOM 0 HB2 ARG A 52 21.651 -1.325 36.516 1.00 30.75 H new ATOM 0 HB3 ARG A 52 23.059 -1.696 35.955 1.00 30.75 H new ATOM 0 HG2 ARG A 52 23.372 -2.386 38.393 1.00 48.20 H new ATOM 0 HG3 ARG A 52 21.838 -2.632 38.252 1.00 48.20 H new ATOM 0 HD2 ARG A 52 23.069 -4.598 38.020 1.00 57.66 H new ATOM 0 HD3 ARG A 52 22.160 -4.332 36.781 1.00 57.66 H new ATOM 0 HE ARG A 52 24.634 -3.486 36.310 1.00 74.06 H new ATOM 0 HH11 ARG A 52 22.915 -6.305 36.283 1.00 88.87 H new ATOM 0 HH12 ARG A 52 23.787 -7.021 35.311 1.00 88.87 H new ATOM 0 HH21 ARG A 52 25.941 -4.571 34.827 1.00 87.05 H new ATOM 0 HH22 ARG A 52 25.620 -5.970 34.429 1.00 87.05 H new ATOM 438 N GLU A 53 22.078 1.683 36.071 1.00 26.88 N ATOM 439 CA GLU A 53 22.035 2.750 35.076 1.00 28.34 C ATOM 440 C GLU A 53 22.985 3.895 35.469 1.00 27.10 C ATOM 441 O GLU A 53 23.619 4.498 34.602 1.00 23.22 O ATOM 442 CB GLU A 53 20.601 3.221 34.866 1.00 29.68 C ATOM 443 CG GLU A 53 19.764 2.231 34.073 1.00 45.24 C ATOM 444 CD GLU A 53 20.258 2.003 32.648 1.00 56.38 C ATOM 445 OE1 GLU A 53 20.439 3.008 31.919 1.00 61.29 O ATOM 446 OE2 GLU A 53 20.486 0.827 32.263 1.00 60.38 O ATOM 0 H GLU A 53 21.359 1.590 36.534 1.00 26.88 H new ATOM 0 HA GLU A 53 22.348 2.407 34.225 1.00 28.34 H new ATOM 0 HB2 GLU A 53 20.185 3.371 35.729 1.00 29.68 H new ATOM 0 HB3 GLU A 53 20.610 4.074 34.404 1.00 29.68 H new ATOM 0 HG2 GLU A 53 19.754 1.382 34.542 1.00 45.24 H new ATOM 0 HG3 GLU A 53 18.848 2.549 34.041 1.00 45.24 H new ATOM 447 N LEU A 54 23.128 4.157 36.779 1.00 22.87 N ATOM 448 CA LEU A 54 24.096 5.137 37.246 1.00 23.05 C ATOM 449 C LEU A 54 25.531 4.672 37.014 1.00 22.88 C ATOM 450 O LEU A 54 26.389 5.493 36.728 1.00 24.78 O ATOM 451 CB LEU A 54 23.848 5.481 38.717 1.00 23.65 C ATOM 452 CG LEU A 54 22.643 6.392 38.934 1.00 27.59 C ATOM 453 CD1 LEU A 54 22.391 6.614 40.411 1.00 22.27 C ATOM 454 CD2 LEU A 54 22.856 7.718 38.218 1.00 31.76 C ATOM 0 H LEU A 54 22.673 3.776 37.402 1.00 22.87 H new ATOM 0 HA LEU A 54 23.975 5.945 36.723 1.00 23.05 H new ATOM 0 HB2 LEU A 54 23.718 4.660 39.216 1.00 23.65 H new ATOM 0 HB3 LEU A 54 24.639 5.911 39.079 1.00 23.65 H new ATOM 0 HG LEU A 54 21.859 5.959 38.562 1.00 27.59 H new ATOM 0 HD11 LEU A 54 21.622 7.195 40.525 1.00 22.27 H new ATOM 0 HD12 LEU A 54 22.219 5.762 40.842 1.00 22.27 H new ATOM 0 HD13 LEU A 54 23.170 7.028 40.814 1.00 22.27 H new ATOM 0 HD21 LEU A 54 22.086 8.290 38.361 1.00 31.76 H new ATOM 0 HD22 LEU A 54 23.650 8.151 38.568 1.00 31.76 H new ATOM 0 HD23 LEU A 54 22.968 7.559 37.268 1.00 31.76 H new ATOM 455 N ALA A 55 25.809 3.371 37.141 1.00 23.43 N ATOM 456 CA ALA A 55 27.161 2.905 36.869 1.00 24.32 C ATOM 457 C ALA A 55 27.561 3.247 35.436 1.00 24.12 C ATOM 458 O ALA A 55 28.719 3.594 35.182 1.00 24.18 O ATOM 459 CB ALA A 55 27.300 1.421 37.131 1.00 21.85 C ATOM 0 H ALA A 55 25.247 2.764 37.376 1.00 23.43 H new ATOM 0 HA ALA A 55 27.764 3.363 37.476 1.00 24.32 H new ATOM 0 HB1 ALA A 55 28.209 1.142 36.941 1.00 21.85 H new ATOM 0 HB2 ALA A 55 27.093 1.235 38.060 1.00 21.85 H new ATOM 0 HB3 ALA A 55 26.687 0.933 36.560 1.00 21.85 H new ATOM 460 N GLU A 56 26.628 3.041 34.494 1.00 22.27 N ATOM 461 CA GLU A 56 26.874 3.291 33.071 1.00 23.61 C ATOM 462 C GLU A 56 27.109 4.781 32.844 1.00 24.12 C ATOM 463 O GLU A 56 28.000 5.178 32.090 1.00 23.77 O ATOM 464 CB GLU A 56 25.676 2.826 32.210 1.00 23.62 C ATOM 465 CG GLU A 56 25.648 3.401 30.790 1.00 30.09 C ATOM 466 CD GLU A 56 24.523 2.949 29.851 1.00 42.70 C ATOM 467 OE1 GLU A 56 23.679 2.136 30.296 1.00 48.94 O ATOM 468 OE2 GLU A 56 24.461 3.451 28.676 1.00 48.34 O ATOM 0 H GLU A 56 25.836 2.752 34.666 1.00 22.27 H new ATOM 0 HA GLU A 56 27.660 2.787 32.806 1.00 23.61 H new ATOM 0 HB2 GLU A 56 25.690 1.858 32.154 1.00 23.62 H new ATOM 0 HB3 GLU A 56 24.854 3.072 32.662 1.00 23.62 H new ATOM 0 HG2 GLU A 56 25.605 4.367 30.862 1.00 30.09 H new ATOM 0 HG3 GLU A 56 26.493 3.186 30.366 1.00 30.09 H new ATOM 469 N GLU A 57 26.259 5.611 33.461 1.00 24.04 N ATOM 470 CA GLU A 57 26.342 7.060 33.302 1.00 29.66 C ATOM 471 C GLU A 57 27.699 7.585 33.783 1.00 24.28 C ATOM 472 O GLU A 57 28.312 8.453 33.158 1.00 22.47 O ATOM 473 CB GLU A 57 25.220 7.716 34.114 1.00 31.78 C ATOM 474 CG GLU A 57 24.399 8.713 33.336 1.00 53.32 C ATOM 475 CD GLU A 57 23.347 8.065 32.452 1.00 62.02 C ATOM 476 OE1 GLU A 57 22.171 8.018 32.887 1.00 70.58 O ATOM 477 OE2 GLU A 57 23.702 7.618 31.328 1.00 57.95 O ATOM 0 H GLU A 57 25.625 5.348 33.979 1.00 24.04 H new ATOM 0 HA GLU A 57 26.247 7.279 32.362 1.00 29.66 H new ATOM 0 HB2 GLU A 57 24.633 7.023 34.454 1.00 31.78 H new ATOM 0 HB3 GLU A 57 25.608 8.161 34.883 1.00 31.78 H new ATOM 0 HG2 GLU A 57 23.963 9.318 33.956 1.00 53.32 H new ATOM 0 HG3 GLU A 57 24.990 9.249 32.785 1.00 53.32 H new ATOM 478 N LYS A 58 28.168 7.089 34.923 1.00 23.09 N ATOM 479 CA LYS A 58 29.445 7.558 35.455 1.00 22.37 C ATOM 480 C LYS A 58 30.595 7.130 34.554 1.00 23.52 C ATOM 481 O LYS A 58 31.573 7.869 34.388 1.00 22.76 O ATOM 482 CB LYS A 58 29.674 7.016 36.871 1.00 25.99 C ATOM 483 CG LYS A 58 28.693 7.574 37.888 1.00 25.93 C ATOM 484 CD LYS A 58 28.714 9.093 37.976 1.00 27.71 C ATOM 485 CE LYS A 58 27.314 9.641 38.105 1.00 36.31 C ATOM 486 NZ LYS A 58 27.249 11.109 37.957 1.00 32.95 N ATOM 0 H LYS A 58 27.772 6.491 35.397 1.00 23.09 H new ATOM 0 HA LYS A 58 29.414 8.527 35.488 1.00 22.37 H new ATOM 0 HB2 LYS A 58 29.602 6.049 36.857 1.00 25.99 H new ATOM 0 HB3 LYS A 58 30.578 7.229 37.151 1.00 25.99 H new ATOM 0 HG2 LYS A 58 27.797 7.282 37.657 1.00 25.93 H new ATOM 0 HG3 LYS A 58 28.896 7.203 38.761 1.00 25.93 H new ATOM 0 HD2 LYS A 58 29.246 9.370 38.739 1.00 27.71 H new ATOM 0 HD3 LYS A 58 29.139 9.461 37.185 1.00 27.71 H new ATOM 0 HE2 LYS A 58 26.748 9.229 37.434 1.00 36.31 H new ATOM 0 HE3 LYS A 58 26.954 9.393 38.971 1.00 36.31 H new ATOM 0 HZ1 LYS A 58 27.056 11.479 38.743 1.00 32.95 H new ATOM 0 HZ2 LYS A 58 28.035 11.414 37.671 1.00 32.95 H new ATOM 0 HZ3 LYS A 58 26.617 11.320 37.367 1.00 32.95 H new ATOM 487 N ARG A 59 30.526 5.896 34.046 1.00 23.35 N ATOM 488 CA ARG A 59 31.530 5.418 33.110 1.00 24.33 C ATOM 489 C ARG A 59 31.577 6.322 31.875 1.00 26.32 C ATOM 490 O ARG A 59 32.646 6.632 31.340 1.00 25.99 O ATOM 491 CB ARG A 59 31.279 3.947 32.783 1.00 28.23 C ATOM 492 CG ARG A 59 32.313 3.382 31.821 1.00 37.65 C ATOM 493 CD ARG A 59 32.074 1.988 31.300 1.00 40.27 C ATOM 494 NE ARG A 59 30.695 1.725 30.881 1.00 51.46 N ATOM 495 CZ ARG A 59 29.767 1.181 31.667 1.00 56.26 C ATOM 496 NH1 ARG A 59 30.061 0.877 32.920 1.00 58.85 N ATOM 497 NH2 ARG A 59 28.551 0.942 31.204 1.00 57.93 N ATOM 0 H ARG A 59 29.908 5.328 34.233 1.00 23.35 H new ATOM 0 HA ARG A 59 32.411 5.465 33.513 1.00 24.33 H new ATOM 0 HB2 ARG A 59 31.288 3.430 33.604 1.00 28.23 H new ATOM 0 HB3 ARG A 59 30.395 3.851 32.396 1.00 28.23 H new ATOM 0 HG2 ARG A 59 32.376 3.981 31.061 1.00 37.65 H new ATOM 0 HG3 ARG A 59 33.176 3.394 32.264 1.00 37.65 H new ATOM 0 HD2 ARG A 59 32.665 1.831 30.547 1.00 40.27 H new ATOM 0 HD3 ARG A 59 32.318 1.351 31.990 1.00 40.27 H new ATOM 0 HE ARG A 59 30.471 1.935 30.078 1.00 51.46 H new ATOM 0 HH11 ARG A 59 30.850 1.031 33.226 1.00 58.85 H new ATOM 0 HH12 ARG A 59 29.463 0.526 33.429 1.00 58.85 H new ATOM 0 HH21 ARG A 59 28.355 1.138 30.390 1.00 57.93 H new ATOM 0 HH22 ARG A 59 27.957 0.591 31.717 1.00 57.93 H new ATOM 498 N GLU A 60 30.393 6.729 31.398 1.00 26.47 N ATOM 499 CA GLU A 60 30.301 7.529 30.190 1.00 24.92 C ATOM 500 C GLU A 60 30.902 8.901 30.465 1.00 24.55 C ATOM 501 O GLU A 60 31.551 9.476 29.598 1.00 27.17 O ATOM 502 CB GLU A 60 28.833 7.633 29.740 1.00 26.50 C ATOM 503 CG GLU A 60 28.342 6.316 29.141 1.00 35.89 C ATOM 504 CD GLU A 60 26.853 6.161 28.819 1.00 37.43 C ATOM 505 OE1 GLU A 60 26.505 5.185 28.122 1.00 45.95 O ATOM 506 OE2 GLU A 60 26.033 6.960 29.303 1.00 49.24 O ATOM 0 H GLU A 60 29.637 6.548 31.765 1.00 26.47 H new ATOM 0 HA GLU A 60 30.797 7.111 29.469 1.00 24.92 H new ATOM 0 HB2 GLU A 60 28.277 7.874 30.497 1.00 26.50 H new ATOM 0 HB3 GLU A 60 28.743 8.342 29.085 1.00 26.50 H new ATOM 0 HG2 GLU A 60 28.837 6.164 28.321 1.00 35.89 H new ATOM 0 HG3 GLU A 60 28.585 5.606 29.755 1.00 35.89 H new ATOM 507 N GLY A 61 30.651 9.421 31.672 1.00 25.07 N ATOM 508 CA GLY A 61 31.276 10.645 32.136 1.00 23.42 C ATOM 509 C GLY A 61 32.800 10.575 32.032 1.00 25.90 C ATOM 510 O GLY A 61 33.425 11.508 31.518 1.00 21.82 O ATOM 0 H GLY A 61 30.111 9.066 32.239 1.00 25.07 H new ATOM 0 HA2 GLY A 61 30.950 11.394 31.613 1.00 23.42 H new ATOM 0 HA3 GLY A 61 31.021 10.810 33.057 1.00 23.42 H new ATOM 511 N ALA A 62 33.397 9.502 32.585 1.00 21.11 N ATOM 512 CA ALA A 62 34.850 9.340 32.539 1.00 24.68 C ATOM 513 C ALA A 62 35.372 9.336 31.102 1.00 25.35 C ATOM 514 O ALA A 62 36.408 9.940 30.818 1.00 23.17 O ATOM 515 CB ALA A 62 35.261 8.069 33.246 1.00 24.52 C ATOM 0 H ALA A 62 32.977 8.867 32.986 1.00 21.11 H new ATOM 0 HA ALA A 62 35.244 10.100 32.996 1.00 24.68 H new ATOM 0 HB1 ALA A 62 36.226 7.975 33.208 1.00 24.52 H new ATOM 0 HB2 ALA A 62 34.977 8.108 34.173 1.00 24.52 H new ATOM 0 HB3 ALA A 62 34.845 7.308 32.812 1.00 24.52 H new ATOM 516 N GLU A 63 34.708 8.566 30.233 1.00 22.23 N ATOM 517 CA GLU A 63 35.098 8.430 28.843 1.00 25.15 C ATOM 518 C GLU A 63 34.998 9.779 28.120 1.00 27.42 C ATOM 519 O GLU A 63 35.839 10.102 27.284 1.00 25.96 O ATOM 520 CB GLU A 63 34.248 7.329 28.202 1.00 28.13 C ATOM 521 CG GLU A 63 34.650 5.938 28.703 1.00 31.36 C ATOM 522 CD GLU A 63 33.755 4.783 28.265 1.00 37.88 C ATOM 523 OE1 GLU A 63 33.903 3.670 28.812 1.00 38.27 O ATOM 524 OE2 GLU A 63 32.871 5.008 27.423 1.00 48.29 O ATOM 0 H GLU A 63 34.012 8.107 30.445 1.00 22.23 H new ATOM 0 HA GLU A 63 36.028 8.164 28.771 1.00 25.15 H new ATOM 0 HB2 GLU A 63 33.312 7.486 28.400 1.00 28.13 H new ATOM 0 HB3 GLU A 63 34.344 7.366 27.237 1.00 28.13 H new ATOM 0 HG2 GLU A 63 35.554 5.755 28.403 1.00 31.36 H new ATOM 0 HG3 GLU A 63 34.672 5.957 29.673 1.00 31.36 H new ATOM 525 N ARG A 64 33.997 10.591 28.477 1.00 28.29 N ATOM 526 CA ARG A 64 33.843 11.917 27.896 1.00 27.91 C ATOM 527 C ARG A 64 35.017 12.814 28.301 1.00 24.05 C ATOM 528 O ARG A 64 35.573 13.545 27.484 1.00 22.23 O ATOM 529 CB ARG A 64 32.472 12.472 28.310 1.00 32.61 C ATOM 530 CG ARG A 64 31.928 13.589 27.433 1.00 47.77 C ATOM 531 CD ARG A 64 30.442 13.843 27.684 1.00 56.20 C ATOM 532 NE ARG A 64 29.548 12.793 27.202 1.00 61.23 N ATOM 533 CZ ARG A 64 28.789 11.986 27.955 1.00 65.66 C ATOM 534 NH1 ARG A 64 28.022 11.081 27.367 1.00 65.64 N ATOM 535 NH2 ARG A 64 28.771 12.091 29.278 1.00 47.53 N ATOM 0 H ARG A 64 33.397 10.386 29.058 1.00 28.29 H new ATOM 0 HA ARG A 64 33.864 11.880 26.927 1.00 27.91 H new ATOM 0 HB2 ARG A 64 31.832 11.743 28.313 1.00 32.61 H new ATOM 0 HB3 ARG A 64 32.534 12.798 29.221 1.00 32.61 H new ATOM 0 HG2 ARG A 64 32.427 14.403 27.601 1.00 47.77 H new ATOM 0 HG3 ARG A 64 32.063 13.361 26.500 1.00 47.77 H new ATOM 0 HD2 ARG A 64 30.303 13.955 28.637 1.00 56.20 H new ATOM 0 HD3 ARG A 64 30.194 14.680 27.261 1.00 56.20 H new ATOM 0 HE ARG A 64 29.505 12.682 26.350 1.00 61.23 H new ATOM 0 HH11 ARG A 64 28.014 11.015 26.510 1.00 65.64 H new ATOM 0 HH12 ARG A 64 27.531 10.559 27.843 1.00 65.64 H new ATOM 0 HH21 ARG A 64 29.253 12.686 29.669 1.00 47.53 H new ATOM 0 HH22 ARG A 64 28.277 11.564 29.745 1.00 47.53 H new ATOM 536 N LEU A 65 35.405 12.762 29.577 1.00 23.51 N ATOM 537 CA LEU A 65 36.587 13.469 30.052 1.00 22.57 C ATOM 538 C LEU A 65 37.842 13.037 29.288 1.00 24.92 C ATOM 539 O LEU A 65 38.659 13.877 28.905 1.00 24.70 O ATOM 540 CB LEU A 65 36.732 13.212 31.556 1.00 24.34 C ATOM 541 CG LEU A 65 35.749 14.000 32.432 1.00 26.27 C ATOM 542 CD1 LEU A 65 35.690 13.420 33.845 1.00 26.24 C ATOM 543 CD2 LEU A 65 36.170 15.464 32.506 1.00 26.59 C ATOM 0 H LEU A 65 34.990 12.318 30.185 1.00 23.51 H new ATOM 0 HA LEU A 65 36.482 14.420 29.893 1.00 22.57 H new ATOM 0 HB2 LEU A 65 36.610 12.265 31.724 1.00 24.34 H new ATOM 0 HB3 LEU A 65 37.637 13.434 31.825 1.00 24.34 H new ATOM 0 HG LEU A 65 34.869 13.933 32.029 1.00 26.27 H new ATOM 0 HD11 LEU A 65 35.064 13.933 34.380 1.00 26.24 H new ATOM 0 HD12 LEU A 65 35.398 12.496 33.804 1.00 26.24 H new ATOM 0 HD13 LEU A 65 36.571 13.463 34.250 1.00 26.24 H new ATOM 0 HD21 LEU A 65 35.543 15.953 33.061 1.00 26.59 H new ATOM 0 HD22 LEU A 65 37.059 15.526 32.890 1.00 26.59 H new ATOM 0 HD23 LEU A 65 36.176 15.845 31.614 1.00 26.59 H new ATOM 544 N LEU A 66 38.014 11.729 29.085 1.00 22.49 N ATOM 545 CA LEU A 66 39.229 11.243 28.443 1.00 23.62 C ATOM 546 C LEU A 66 39.293 11.695 26.988 1.00 22.70 C ATOM 547 O LEU A 66 40.360 12.035 26.490 1.00 23.59 O ATOM 548 CB LEU A 66 39.275 9.723 28.559 1.00 25.43 C ATOM 549 CG LEU A 66 39.447 9.233 29.993 1.00 28.63 C ATOM 550 CD1 LEU A 66 38.997 7.787 30.119 1.00 24.97 C ATOM 551 CD2 LEU A 66 40.901 9.403 30.449 1.00 25.38 C ATOM 0 H LEU A 66 37.449 11.120 29.308 1.00 22.49 H new ATOM 0 HA LEU A 66 40.005 11.617 28.889 1.00 23.62 H new ATOM 0 HB2 LEU A 66 38.457 9.352 28.193 1.00 25.43 H new ATOM 0 HB3 LEU A 66 40.006 9.386 28.018 1.00 25.43 H new ATOM 0 HG LEU A 66 38.887 9.772 30.574 1.00 28.63 H new ATOM 0 HD11 LEU A 66 39.112 7.491 31.035 1.00 24.97 H new ATOM 0 HD12 LEU A 66 38.062 7.716 29.872 1.00 24.97 H new ATOM 0 HD13 LEU A 66 39.529 7.230 29.530 1.00 24.97 H new ATOM 0 HD21 LEU A 66 40.993 9.087 31.362 1.00 25.38 H new ATOM 0 HD22 LEU A 66 41.484 8.889 29.869 1.00 25.38 H new ATOM 0 HD23 LEU A 66 41.147 10.340 30.405 1.00 25.38 H new ATOM 552 N LYS A 67 38.151 11.672 26.298 1.00 21.74 N ATOM 553 CA LYS A 67 38.105 12.082 24.910 1.00 21.91 C ATOM 554 C LYS A 67 38.548 13.540 24.811 1.00 25.82 C ATOM 555 O LYS A 67 39.310 13.918 23.907 1.00 26.70 O ATOM 556 CB LYS A 67 36.690 11.856 24.354 1.00 22.88 C ATOM 557 CG LYS A 67 36.467 12.403 22.948 1.00 29.92 C ATOM 558 CD LYS A 67 35.025 12.302 22.464 1.00 39.10 C ATOM 559 CE LYS A 67 34.808 13.063 21.173 1.00 45.87 C ATOM 560 NZ LYS A 67 33.429 12.870 20.666 1.00 53.48 N ATOM 0 H LYS A 67 37.395 11.421 26.623 1.00 21.74 H new ATOM 0 HA LYS A 67 38.712 11.551 24.371 1.00 21.91 H new ATOM 0 HB2 LYS A 67 36.504 10.904 24.351 1.00 22.88 H new ATOM 0 HB3 LYS A 67 36.049 12.268 24.954 1.00 22.88 H new ATOM 0 HG2 LYS A 67 36.741 13.333 22.926 1.00 29.92 H new ATOM 0 HG3 LYS A 67 37.040 11.923 22.330 1.00 29.92 H new ATOM 0 HD2 LYS A 67 34.793 11.369 22.332 1.00 39.10 H new ATOM 0 HD3 LYS A 67 34.430 12.648 23.147 1.00 39.10 H new ATOM 0 HE2 LYS A 67 34.973 14.008 21.319 1.00 45.87 H new ATOM 0 HE3 LYS A 67 35.446 12.764 20.506 1.00 45.87 H new ATOM 0 HZ1 LYS A 67 33.325 13.325 19.908 1.00 53.48 H new ATOM 0 HZ2 LYS A 67 33.287 12.005 20.514 1.00 53.48 H new ATOM 0 HZ3 LYS A 67 32.846 13.164 21.271 1.00 53.48 H new ATOM 561 N MET A 68 38.034 14.361 25.738 1.00 26.49 N ATOM 562 CA MET A 68 38.324 15.783 25.772 1.00 27.21 C ATOM 563 C MET A 68 39.811 16.003 26.050 1.00 26.39 C ATOM 564 O MET A 68 40.444 16.842 25.407 1.00 30.42 O ATOM 565 CB MET A 68 37.470 16.505 26.828 1.00 26.95 C ATOM 566 CG MET A 68 37.822 18.006 26.963 1.00 25.82 C ATOM 567 SD MET A 68 39.196 18.374 28.109 1.00 35.90 S ATOM 568 CE MET A 68 38.419 17.984 29.685 1.00 27.50 C ATOM 0 H MET A 68 37.506 14.098 26.364 1.00 26.49 H new ATOM 0 HA MET A 68 38.101 16.158 24.906 1.00 27.21 H new ATOM 0 HB2 MET A 68 36.533 16.417 26.595 1.00 26.95 H new ATOM 0 HB3 MET A 68 37.590 16.071 27.687 1.00 26.95 H new ATOM 0 HG2 MET A 68 38.049 18.352 26.086 1.00 25.82 H new ATOM 0 HG3 MET A 68 37.033 18.484 27.261 1.00 25.82 H new ATOM 0 HE1 MET A 68 38.876 18.458 30.397 1.00 27.50 H new ATOM 0 HE2 MET A 68 37.488 18.255 29.663 1.00 27.50 H new ATOM 0 HE3 MET A 68 38.473 17.029 29.845 1.00 27.50 H new ATOM 569 N GLN A 69 40.352 15.258 27.014 1.00 25.55 N ATOM 570 CA GLN A 69 41.774 15.288 27.332 1.00 28.19 C ATOM 571 C GLN A 69 42.582 15.117 26.039 1.00 26.86 C ATOM 572 O GLN A 69 43.526 15.863 25.774 1.00 22.86 O ATOM 573 CB GLN A 69 42.065 14.201 28.370 1.00 26.67 C ATOM 574 CG GLN A 69 43.525 14.076 28.826 1.00 28.11 C ATOM 575 CD GLN A 69 43.916 15.036 29.928 1.00 30.78 C ATOM 576 OE1 GLN A 69 44.102 16.233 29.704 1.00 33.95 O ATOM 577 NE2 GLN A 69 44.062 14.523 31.139 1.00 29.76 N ATOM 0 H GLN A 69 39.898 14.717 27.504 1.00 25.55 H new ATOM 0 HA GLN A 69 42.035 16.138 27.719 1.00 28.19 H new ATOM 0 HB2 GLN A 69 41.515 14.369 29.151 1.00 26.67 H new ATOM 0 HB3 GLN A 69 41.785 13.347 28.005 1.00 26.67 H new ATOM 0 HG2 GLN A 69 43.681 13.169 29.131 1.00 28.11 H new ATOM 0 HG3 GLN A 69 44.105 14.222 28.063 1.00 28.11 H new ATOM 0 HE21 GLN A 69 43.926 13.684 31.270 1.00 29.76 H new ATOM 0 HE22 GLN A 69 44.293 15.029 31.795 1.00 29.76 H new ATOM 578 N ASN A 70 42.202 14.131 25.227 1.00 22.75 N ATOM 579 CA ASN A 70 42.899 13.872 23.970 1.00 24.22 C ATOM 580 C ASN A 70 42.659 15.028 22.991 1.00 25.33 C ATOM 581 O ASN A 70 43.560 15.435 22.251 1.00 23.11 O ATOM 582 CB ASN A 70 42.481 12.522 23.369 1.00 24.09 C ATOM 583 CG ASN A 70 43.361 11.384 23.853 1.00 27.96 C ATOM 584 OD1 ASN A 70 44.472 11.738 24.455 1.00 25.18 O flip ATOM 585 ND2 ASN A 70 43.058 10.202 23.675 1.00 23.35 N flip ATOM 0 H ASN A 70 41.543 13.602 25.386 1.00 22.75 H new ATOM 0 HA ASN A 70 43.851 13.817 24.148 1.00 24.22 H new ATOM 0 HB2 ASN A 70 41.558 12.337 23.603 1.00 24.09 H new ATOM 0 HB3 ASN A 70 42.524 12.573 22.401 1.00 24.09 H new ATOM 0 HD21 ASN A 70 42.322 10.002 23.277 1.00 23.35 H new ATOM 0 HD22 ASN A 70 43.582 9.578 23.949 1.00 23.35 H new ATOM 586 N GLN A 71 41.437 15.572 22.983 1.00 22.54 N ATOM 587 CA GLN A 71 41.126 16.614 22.009 1.00 24.96 C ATOM 588 C GLN A 71 42.011 17.831 22.269 1.00 25.17 C ATOM 589 O GLN A 71 42.441 18.492 21.327 1.00 26.91 O ATOM 590 CB GLN A 71 39.658 17.035 22.055 1.00 22.60 C ATOM 591 CG GLN A 71 38.704 16.066 21.380 1.00 30.52 C ATOM 592 CD GLN A 71 37.318 16.659 21.447 1.00 44.25 C ATOM 593 OE1 GLN A 71 37.041 17.325 22.554 1.00 51.08 O flip ATOM 594 NE2 GLN A 71 36.536 16.597 20.500 1.00 47.96 N flip ATOM 0 H GLN A 71 40.796 15.359 23.515 1.00 22.54 H new ATOM 0 HA GLN A 71 41.297 16.249 21.127 1.00 24.96 H new ATOM 0 HB2 GLN A 71 39.392 17.140 22.982 1.00 22.60 H new ATOM 0 HB3 GLN A 71 39.569 17.904 21.634 1.00 22.60 H new ATOM 0 HG2 GLN A 71 38.966 15.918 20.458 1.00 30.52 H new ATOM 0 HG3 GLN A 71 38.726 15.203 21.823 1.00 30.52 H new ATOM 0 HE21 GLN A 71 36.749 16.154 19.794 1.00 47.96 H new ATOM 0 HE22 GLN A 71 35.776 16.997 20.543 1.00 47.96 H new ATOM 595 N ARG A 72 42.338 18.079 23.545 1.00 24.73 N ATOM 596 CA ARG A 72 43.126 19.238 23.920 1.00 24.31 C ATOM 597 C ARG A 72 44.626 18.931 23.868 1.00 26.85 C ATOM 598 O ARG A 72 45.453 19.824 23.986 1.00 28.81 O ATOM 599 CB ARG A 72 42.692 19.764 25.292 1.00 22.90 C ATOM 600 CG ARG A 72 41.280 20.339 25.323 1.00 22.49 C ATOM 601 CD ARG A 72 41.102 21.620 24.526 1.00 25.17 C ATOM 602 NE ARG A 72 42.023 22.693 24.923 1.00 25.68 N ATOM 603 CZ ARG A 72 41.820 23.531 25.940 1.00 26.26 C ATOM 604 NH1 ARG A 72 40.749 23.412 26.721 1.00 24.53 N ATOM 605 NH2 ARG A 72 42.710 24.473 26.186 1.00 28.03 N ATOM 0 H ARG A 72 42.107 17.579 24.205 1.00 24.73 H new ATOM 0 HA ARG A 72 42.962 19.942 23.273 1.00 24.31 H new ATOM 0 HB2 ARG A 72 42.751 19.042 25.937 1.00 22.90 H new ATOM 0 HB3 ARG A 72 43.316 20.450 25.576 1.00 22.90 H new ATOM 0 HG2 ARG A 72 40.664 19.672 24.982 1.00 22.49 H new ATOM 0 HG3 ARG A 72 41.033 20.509 26.245 1.00 22.49 H new ATOM 0 HD2 ARG A 72 41.230 21.426 23.584 1.00 25.17 H new ATOM 0 HD3 ARG A 72 40.190 21.932 24.630 1.00 25.17 H new ATOM 0 HE ARG A 72 42.746 22.788 24.466 1.00 25.68 H new ATOM 0 HH11 ARG A 72 40.176 22.788 26.573 1.00 24.53 H new ATOM 0 HH12 ARG A 72 40.630 23.959 27.374 1.00 24.53 H new ATOM 0 HH21 ARG A 72 43.411 24.541 25.693 1.00 28.03 H new ATOM 0 HH22 ARG A 72 42.589 25.019 26.839 1.00 28.03 H new ATOM 606 N GLY A 73 44.999 17.669 23.699 1.00 28.18 N ATOM 607 CA GLY A 73 46.422 17.395 23.542 1.00 25.57 C ATOM 608 C GLY A 73 47.037 17.010 24.876 1.00 27.93 C ATOM 609 O GLY A 73 48.245 16.918 24.981 1.00 24.33 O ATOM 0 H GLY A 73 44.475 16.987 23.673 1.00 28.18 H new ATOM 0 HA2 GLY A 73 46.551 16.678 22.901 1.00 25.57 H new ATOM 0 HA3 GLY A 73 46.871 18.178 23.186 1.00 25.57 H new ATOM 610 N GLY A 74 46.190 16.753 25.883 1.00 26.13 N ATOM 611 CA GLY A 74 46.686 16.265 27.158 1.00 27.62 C ATOM 612 C GLY A 74 46.924 14.757 27.112 1.00 29.36 C ATOM 613 O GLY A 74 46.611 14.113 26.114 1.00 24.94 O ATOM 0 H GLY A 74 45.337 16.856 25.841 1.00 26.13 H new ATOM 0 HA2 GLY A 74 47.513 16.720 27.383 1.00 27.62 H new ATOM 0 HA3 GLY A 74 46.048 16.474 27.858 1.00 27.62 H new ATOM 614 N ARG A 75 47.526 14.202 28.173 1.00 28.01 N ATOM 615 CA ARG A 75 47.805 12.776 28.170 1.00 24.79 C ATOM 616 C ARG A 75 47.026 12.116 29.301 1.00 24.90 C ATOM 617 O ARG A 75 47.161 12.494 30.455 1.00 23.37 O ATOM 618 CB ARG A 75 49.317 12.522 28.233 1.00 30.64 C ATOM 619 CG ARG A 75 50.047 12.959 26.959 1.00 39.80 C ATOM 620 CD ARG A 75 49.500 12.336 25.670 1.00 42.56 C ATOM 621 NE ARG A 75 50.040 12.878 24.419 1.00 43.66 N ATOM 622 CZ ARG A 75 49.296 13.417 23.449 1.00 55.51 C ATOM 623 NH1 ARG A 75 47.971 13.456 23.549 1.00 44.75 N ATOM 624 NH2 ARG A 75 49.884 13.911 22.372 1.00 57.67 N ATOM 0 H ARG A 75 47.771 14.626 28.880 1.00 28.01 H new ATOM 0 HA ARG A 75 47.507 12.372 27.340 1.00 24.79 H new ATOM 0 HB2 ARG A 75 49.689 12.997 28.993 1.00 30.64 H new ATOM 0 HB3 ARG A 75 49.476 11.577 28.384 1.00 30.64 H new ATOM 0 HG2 ARG A 75 49.996 13.925 26.885 1.00 39.80 H new ATOM 0 HG3 ARG A 75 50.986 12.730 27.043 1.00 39.80 H new ATOM 0 HD2 ARG A 75 49.676 11.382 25.692 1.00 42.56 H new ATOM 0 HD3 ARG A 75 48.536 12.447 25.661 1.00 42.56 H new ATOM 0 HE ARG A 75 50.891 12.847 24.302 1.00 43.66 H new ATOM 0 HH11 ARG A 75 47.583 13.132 24.244 1.00 44.75 H new ATOM 0 HH12 ARG A 75 47.502 13.805 22.918 1.00 44.75 H new ATOM 0 HH21 ARG A 75 50.740 13.884 22.299 1.00 57.67 H new ATOM 0 HH22 ARG A 75 49.410 14.259 21.745 1.00 57.67 H new ATOM 625 N ALA A 76 46.141 11.190 28.944 1.00 25.53 N ATOM 626 CA ALA A 76 45.433 10.419 29.957 1.00 25.61 C ATOM 627 C ALA A 76 46.465 9.696 30.819 1.00 28.15 C ATOM 628 O ALA A 76 47.370 9.068 30.285 1.00 24.45 O ATOM 629 CB ALA A 76 44.516 9.451 29.257 1.00 23.61 C ATOM 0 H ALA A 76 45.939 10.995 28.131 1.00 25.53 H new ATOM 0 HA ALA A 76 44.898 10.987 30.533 1.00 25.61 H new ATOM 0 HB1 ALA A 76 44.034 8.927 29.916 1.00 23.61 H new ATOM 0 HB2 ALA A 76 43.883 9.942 28.710 1.00 23.61 H new ATOM 0 HB3 ALA A 76 45.039 8.859 28.694 1.00 23.61 H new ATOM 630 N LEU A 77 46.285 9.725 32.142 1.00 25.34 N ATOM 631 CA LEU A 77 47.063 8.867 33.022 1.00 27.48 C ATOM 632 C LEU A 77 46.110 8.216 34.015 1.00 30.05 C ATOM 633 O LEU A 77 45.350 8.910 34.696 1.00 30.24 O ATOM 634 CB LEU A 77 48.117 9.701 33.757 1.00 29.04 C ATOM 635 CG LEU A 77 49.303 10.132 32.885 1.00 37.86 C ATOM 636 CD1 LEU A 77 50.200 11.117 33.623 1.00 36.57 C ATOM 637 CD2 LEU A 77 50.100 8.927 32.392 1.00 36.89 C ATOM 0 H LEU A 77 45.719 10.233 32.543 1.00 25.34 H new ATOM 0 HA LEU A 77 47.521 8.182 32.511 1.00 27.48 H new ATOM 0 HB2 LEU A 77 47.691 10.493 34.120 1.00 29.04 H new ATOM 0 HB3 LEU A 77 48.452 9.189 34.510 1.00 29.04 H new ATOM 0 HG LEU A 77 48.943 10.584 32.106 1.00 37.86 H new ATOM 0 HD11 LEU A 77 50.940 11.373 33.050 1.00 36.57 H new ATOM 0 HD12 LEU A 77 49.688 11.906 33.860 1.00 36.57 H new ATOM 0 HD13 LEU A 77 50.544 10.701 34.429 1.00 36.57 H new ATOM 0 HD21 LEU A 77 50.841 9.231 31.845 1.00 36.89 H new ATOM 0 HD22 LEU A 77 50.442 8.432 33.153 1.00 36.89 H new ATOM 0 HD23 LEU A 77 49.524 8.352 31.865 1.00 36.89 H new ATOM 638 N PHE A 78 46.178 6.885 34.088 1.00 23.31 N ATOM 639 CA PHE A 78 45.251 6.129 34.910 1.00 22.44 C ATOM 640 C PHE A 78 45.968 5.720 36.191 1.00 23.38 C ATOM 641 O PHE A 78 47.180 5.483 36.175 1.00 24.99 O ATOM 642 CB PHE A 78 44.737 4.916 34.132 1.00 22.80 C ATOM 643 CG PHE A 78 43.914 5.315 32.935 1.00 26.15 C ATOM 644 CD1 PHE A 78 42.609 5.766 33.092 1.00 28.46 C ATOM 645 CD2 PHE A 78 44.493 5.373 31.671 1.00 26.57 C ATOM 646 CE1 PHE A 78 41.859 6.130 31.978 1.00 31.32 C ATOM 647 CE2 PHE A 78 43.760 5.769 30.561 1.00 26.44 C ATOM 648 CZ PHE A 78 42.436 6.117 30.717 1.00 25.15 C ATOM 0 H PHE A 78 46.756 6.407 33.667 1.00 23.31 H new ATOM 0 HA PHE A 78 44.479 6.668 35.144 1.00 22.44 H new ATOM 0 HB2 PHE A 78 45.490 4.378 33.840 1.00 22.80 H new ATOM 0 HB3 PHE A 78 44.202 4.360 34.720 1.00 22.80 H new ATOM 0 HD1 PHE A 78 42.237 5.825 33.942 1.00 28.46 H new ATOM 0 HD2 PHE A 78 45.388 5.142 31.568 1.00 26.57 H new ATOM 0 HE1 PHE A 78 40.970 6.382 32.079 1.00 31.32 H new ATOM 0 HE2 PHE A 78 44.158 5.799 29.721 1.00 26.44 H new ATOM 0 HZ PHE A 78 41.927 6.344 29.973 1.00 25.15 H new ATOM 649 N GLN A 79 45.203 5.670 37.280 1.00 22.16 N ATOM 650 CA GLN A 79 45.691 5.256 38.585 1.00 24.34 C ATOM 651 C GLN A 79 44.822 4.113 39.092 1.00 20.94 C ATOM 652 O GLN A 79 43.764 3.822 38.525 1.00 20.75 O ATOM 653 CB GLN A 79 45.703 6.436 39.573 1.00 27.61 C ATOM 654 CG GLN A 79 46.619 7.593 39.167 1.00 35.54 C ATOM 655 CD GLN A 79 48.109 7.320 39.110 1.00 47.07 C ATOM 656 OE1 GLN A 79 48.555 6.181 39.628 1.00 59.20 O flip ATOM 657 NE2 GLN A 79 48.878 8.146 38.612 1.00 43.25 N flip ATOM 0 H GLN A 79 44.369 5.881 37.277 1.00 22.16 H new ATOM 0 HA GLN A 79 46.608 4.949 38.506 1.00 24.34 H new ATOM 0 HB2 GLN A 79 44.798 6.773 39.668 1.00 27.61 H new ATOM 0 HB3 GLN A 79 45.978 6.111 40.444 1.00 27.61 H new ATOM 0 HG2 GLN A 79 46.338 7.904 38.292 1.00 35.54 H new ATOM 0 HG3 GLN A 79 46.472 8.323 39.788 1.00 35.54 H new ATOM 0 HE21 GLN A 79 48.568 8.877 38.282 1.00 43.25 H new ATOM 0 HE22 GLN A 79 49.724 7.990 38.595 1.00 43.25 H new ATOM 658 N ASP A 80 45.287 3.483 40.177 1.00 20.95 N ATOM 659 CA ASP A 80 44.534 2.425 40.815 1.00 22.62 C ATOM 660 C ASP A 80 43.120 2.925 41.098 1.00 22.50 C ATOM 661 O ASP A 80 42.903 4.108 41.424 1.00 22.88 O ATOM 662 CB ASP A 80 45.254 1.902 42.061 1.00 21.41 C ATOM 663 CG ASP A 80 46.601 1.247 41.809 1.00 24.63 C ATOM 664 OD1 ASP A 80 46.808 0.656 40.724 1.00 21.79 O ATOM 665 OD2 ASP A 80 47.437 1.288 42.729 1.00 25.03 O ATOM 0 H ASP A 80 46.040 3.662 40.552 1.00 20.95 H new ATOM 0 HA ASP A 80 44.466 1.661 40.221 1.00 22.62 H new ATOM 0 HB2 ASP A 80 45.381 2.641 42.677 1.00 21.41 H new ATOM 0 HB3 ASP A 80 44.677 1.260 42.504 1.00 21.41 H new ATOM 666 N LEU A 81 42.164 1.995 41.028 1.00 21.82 N ATOM 667 CA LEU A 81 40.789 2.329 41.373 1.00 23.24 C ATOM 668 C LEU A 81 40.451 1.688 42.706 1.00 22.91 C ATOM 669 O LEU A 81 40.286 0.471 42.773 1.00 25.45 O ATOM 670 CB LEU A 81 39.802 1.807 40.313 1.00 24.25 C ATOM 671 CG LEU A 81 39.835 2.525 38.966 1.00 34.07 C ATOM 672 CD1 LEU A 81 38.805 1.904 38.012 1.00 35.94 C ATOM 673 CD2 LEU A 81 39.538 4.005 39.159 1.00 34.45 C ATOM 0 H LEU A 81 42.292 1.179 40.787 1.00 21.82 H new ATOM 0 HA LEU A 81 40.711 3.295 41.419 1.00 23.24 H new ATOM 0 HB2 LEU A 81 39.982 0.866 40.163 1.00 24.25 H new ATOM 0 HB3 LEU A 81 38.903 1.871 40.673 1.00 24.25 H new ATOM 0 HG LEU A 81 40.719 2.428 38.580 1.00 34.07 H new ATOM 0 HD11 LEU A 81 38.833 2.366 37.160 1.00 35.94 H new ATOM 0 HD12 LEU A 81 39.012 0.966 37.878 1.00 35.94 H new ATOM 0 HD13 LEU A 81 37.918 1.987 38.395 1.00 35.94 H new ATOM 0 HD21 LEU A 81 39.561 4.455 38.300 1.00 34.45 H new ATOM 0 HD22 LEU A 81 38.659 4.110 39.555 1.00 34.45 H new ATOM 0 HD23 LEU A 81 40.205 4.395 39.745 1.00 34.45 H new ATOM 674 N GLN A 82 40.182 2.531 43.694 1.00 19.97 N ATOM 675 CA GLN A 82 39.851 2.019 45.006 1.00 25.81 C ATOM 676 C GLN A 82 38.442 1.425 45.013 1.00 25.35 C ATOM 677 O GLN A 82 37.547 1.852 44.273 1.00 22.13 O ATOM 678 CB GLN A 82 40.036 3.084 46.073 1.00 27.46 C ATOM 679 CG GLN A 82 38.860 4.024 46.144 1.00 28.76 C ATOM 680 CD GLN A 82 39.275 5.142 47.064 1.00 39.43 C ATOM 681 OE1 GLN A 82 38.736 5.293 48.154 1.00 38.44 O ATOM 682 NE2 GLN A 82 40.274 5.899 46.644 1.00 37.36 N ATOM 0 H GLN A 82 40.186 3.388 43.624 1.00 19.97 H new ATOM 0 HA GLN A 82 40.466 1.301 45.221 1.00 25.81 H new ATOM 0 HB2 GLN A 82 40.161 2.658 46.935 1.00 27.46 H new ATOM 0 HB3 GLN A 82 40.842 3.590 45.887 1.00 27.46 H new ATOM 0 HG2 GLN A 82 38.634 4.364 45.264 1.00 28.76 H new ATOM 0 HG3 GLN A 82 38.073 3.570 46.483 1.00 28.76 H new ATOM 0 HE21 GLN A 82 40.624 5.759 45.871 1.00 37.36 H new ATOM 0 HE22 GLN A 82 40.574 6.532 47.144 1.00 37.36 H new ATOM 683 N LYS A 83 38.310 0.356 45.799 1.00 22.22 N ATOM 684 CA LYS A 83 37.055 -0.368 45.837 1.00 23.68 C ATOM 685 C LYS A 83 36.028 0.512 46.543 1.00 22.62 C ATOM 686 O LYS A 83 36.379 1.486 47.214 1.00 21.56 O ATOM 687 CB LYS A 83 37.255 -1.674 46.606 1.00 23.03 C ATOM 688 CG LYS A 83 37.376 -1.484 48.113 1.00 23.01 C ATOM 689 CD LYS A 83 37.662 -2.800 48.794 1.00 25.93 C ATOM 690 CE LYS A 83 37.656 -2.722 50.305 1.00 25.72 C ATOM 691 NZ LYS A 83 37.793 -4.092 50.862 1.00 25.28 N ATOM 0 H LYS A 83 38.928 0.043 46.308 1.00 22.22 H new ATOM 0 HA LYS A 83 36.747 -0.580 44.942 1.00 23.68 H new ATOM 0 HB2 LYS A 83 36.509 -2.266 46.421 1.00 23.03 H new ATOM 0 HB3 LYS A 83 38.055 -2.114 46.278 1.00 23.03 H new ATOM 0 HG2 LYS A 83 38.086 -0.852 48.308 1.00 23.01 H new ATOM 0 HG3 LYS A 83 36.555 -1.105 48.463 1.00 23.01 H new ATOM 0 HD2 LYS A 83 37.002 -3.451 48.510 1.00 25.93 H new ATOM 0 HD3 LYS A 83 38.527 -3.126 48.499 1.00 25.93 H new ATOM 0 HE2 LYS A 83 38.384 -2.161 50.614 1.00 25.72 H new ATOM 0 HE3 LYS A 83 36.832 -2.315 50.616 1.00 25.72 H new ATOM 0 HZ1 LYS A 83 38.050 -4.043 51.713 1.00 25.28 H new ATOM 0 HZ2 LYS A 83 37.010 -4.512 50.813 1.00 25.28 H new ATOM 0 HZ3 LYS A 83 38.402 -4.543 50.395 1.00 25.28 H new ATOM 692 N PRO A 84 34.725 0.200 46.378 1.00 21.53 N ATOM 693 CA PRO A 84 33.667 0.990 46.993 1.00 21.18 C ATOM 694 C PRO A 84 33.821 1.004 48.514 1.00 24.09 C ATOM 695 O PRO A 84 34.475 0.145 49.096 1.00 24.57 O ATOM 696 CB PRO A 84 32.377 0.269 46.543 1.00 18.89 C ATOM 697 CG PRO A 84 32.780 -0.363 45.204 1.00 19.33 C ATOM 698 CD PRO A 84 34.216 -0.816 45.431 1.00 19.06 C ATOM 0 HA PRO A 84 33.674 1.924 46.730 1.00 21.18 H new ATOM 0 HB2 PRO A 84 32.098 -0.401 47.186 1.00 18.89 H new ATOM 0 HB3 PRO A 84 31.638 0.888 46.439 1.00 18.89 H new ATOM 0 HG2 PRO A 84 32.204 -1.109 44.975 1.00 19.33 H new ATOM 0 HG3 PRO A 84 32.719 0.276 44.477 1.00 19.33 H new ATOM 0 HD2 PRO A 84 34.258 -1.711 45.804 1.00 19.06 H new ATOM 0 HD3 PRO A 84 34.726 -0.828 44.606 1.00 19.06 H new ATOM 699 N SER A 85 33.147 1.952 49.157 1.00 24.63 N ATOM 700 CA SER A 85 33.347 2.182 50.587 1.00 28.25 C ATOM 701 C SER A 85 32.661 1.123 51.456 1.00 27.49 C ATOM 702 O SER A 85 33.059 0.913 52.587 1.00 29.00 O ATOM 703 CB SER A 85 32.900 3.556 50.953 1.00 24.92 C ATOM 704 OG SER A 85 31.483 3.633 50.891 1.00 36.70 O ATOM 0 H SER A 85 32.571 2.472 48.787 1.00 24.63 H new ATOM 0 HA SER A 85 34.297 2.103 50.765 1.00 28.25 H new ATOM 0 HB2 SER A 85 33.206 3.777 51.847 1.00 24.92 H new ATOM 0 HB3 SER A 85 33.294 4.205 50.350 1.00 24.92 H new ATOM 0 HG SER A 85 31.258 4.176 50.291 1.00 36.70 H new ATOM 705 N GLN A 86 31.672 0.403 50.921 1.00 24.59 N ATOM 706 CA GLN A 86 30.947 -0.601 51.685 1.00 25.57 C ATOM 707 C GLN A 86 30.830 -1.867 50.841 1.00 26.10 C ATOM 708 O GLN A 86 30.879 -1.780 49.620 1.00 24.04 O ATOM 709 CB GLN A 86 29.540 -0.085 52.016 1.00 24.74 C ATOM 710 CG GLN A 86 29.567 1.063 53.018 1.00 29.41 C ATOM 711 CD GLN A 86 28.190 1.642 53.244 1.00 42.73 C ATOM 712 OE1 GLN A 86 27.221 0.920 53.517 1.00 44.15 O ATOM 713 NE2 GLN A 86 28.085 2.957 53.121 1.00 42.20 N ATOM 0 H GLN A 86 31.407 0.486 50.107 1.00 24.59 H new ATOM 0 HA GLN A 86 31.421 -0.789 52.510 1.00 25.57 H new ATOM 0 HB2 GLN A 86 29.106 0.210 51.200 1.00 24.74 H new ATOM 0 HB3 GLN A 86 29.007 -0.812 52.374 1.00 24.74 H new ATOM 0 HG2 GLN A 86 29.928 0.748 53.861 1.00 29.41 H new ATOM 0 HG3 GLN A 86 30.162 1.759 52.697 1.00 29.41 H new ATOM 0 HE21 GLN A 86 28.779 3.428 52.931 1.00 42.20 H new ATOM 0 HE22 GLN A 86 27.323 3.340 53.232 1.00 42.20 H new ATOM 714 N ASP A 87 30.711 -3.029 51.504 1.00 26.90 N ATOM 715 CA ASP A 87 30.445 -4.302 50.839 1.00 26.16 C ATOM 716 C ASP A 87 28.954 -4.645 50.820 1.00 25.60 C ATOM 717 O ASP A 87 28.494 -5.406 49.959 1.00 26.73 O ATOM 718 CB ASP A 87 31.157 -5.450 51.553 1.00 25.78 C ATOM 719 CG ASP A 87 32.665 -5.346 51.441 1.00 28.43 C ATOM 720 OD1 ASP A 87 33.164 -4.905 50.389 1.00 23.87 O ATOM 721 OD2 ASP A 87 33.318 -5.738 52.388 1.00 26.18 O ATOM 0 H ASP A 87 30.784 -3.093 52.358 1.00 26.90 H new ATOM 0 HA ASP A 87 30.771 -4.198 49.931 1.00 26.16 H new ATOM 0 HB2 ASP A 87 30.903 -5.453 52.489 1.00 25.78 H new ATOM 0 HB3 ASP A 87 30.864 -6.294 51.176 1.00 25.78 H new ATOM 722 N GLU A 88 28.229 -4.139 51.812 1.00 22.99 N ATOM 723 CA GLU A 88 26.762 -4.299 52.002 1.00 27.80 C ATOM 724 C GLU A 88 26.189 -2.885 52.127 1.00 24.81 C ATOM 725 O GLU A 88 26.790 -2.123 52.831 1.00 22.05 O ATOM 726 CB GLU A 88 26.442 -5.112 53.259 1.00 32.58 C ATOM 727 CG GLU A 88 26.890 -6.551 53.196 1.00 44.83 C ATOM 728 CD GLU A 88 26.285 -7.482 54.240 1.00 57.03 C ATOM 729 OE1 GLU A 88 25.696 -6.990 55.201 1.00 62.71 O ATOM 730 OE2 GLU A 88 26.378 -8.691 54.068 1.00 58.52 O ATOM 0 H GLU A 88 28.587 -3.665 52.434 1.00 22.99 H new ATOM 0 HA GLU A 88 26.374 -4.781 51.255 1.00 27.80 H new ATOM 0 HB2 GLU A 88 26.862 -4.686 54.023 1.00 32.58 H new ATOM 0 HB3 GLU A 88 25.484 -5.088 53.412 1.00 32.58 H new ATOM 0 HG2 GLU A 88 26.679 -6.899 52.316 1.00 44.83 H new ATOM 0 HG3 GLU A 88 27.855 -6.575 53.286 1.00 44.83 H new ATOM 731 N TRP A 89 25.050 -2.598 51.499 1.00 21.56 N ATOM 732 CA TRP A 89 24.543 -1.201 51.441 1.00 20.14 C ATOM 733 C TRP A 89 23.273 -0.945 52.273 1.00 21.65 C ATOM 734 O TRP A 89 22.708 0.107 52.155 1.00 25.57 O ATOM 735 CB TRP A 89 24.453 -0.753 49.980 1.00 19.93 C ATOM 736 CG TRP A 89 25.762 -0.811 49.251 1.00 20.26 C ATOM 737 CD1 TRP A 89 26.241 -1.823 48.481 1.00 20.18 C ATOM 738 CD2 TRP A 89 26.777 0.198 49.233 1.00 19.56 C ATOM 739 NE1 TRP A 89 27.466 -1.510 47.972 1.00 20.12 N ATOM 740 CE2 TRP A 89 27.827 -0.281 48.431 1.00 21.25 C ATOM 741 CE3 TRP A 89 26.900 1.460 49.813 1.00 20.62 C ATOM 742 CZ2 TRP A 89 28.982 0.462 48.210 1.00 22.00 C ATOM 743 CZ3 TRP A 89 28.033 2.197 49.577 1.00 21.91 C ATOM 744 CH2 TRP A 89 29.056 1.707 48.778 1.00 20.34 C ATOM 0 H TRP A 89 24.554 -3.178 51.103 1.00 21.56 H new ATOM 0 HA TRP A 89 25.188 -0.630 51.887 1.00 20.14 H new ATOM 0 HB2 TRP A 89 23.809 -1.312 49.518 1.00 19.93 H new ATOM 0 HB3 TRP A 89 24.114 0.155 49.949 1.00 19.93 H new ATOM 0 HD1 TRP A 89 25.793 -2.622 48.323 1.00 20.18 H new ATOM 0 HE1 TRP A 89 27.933 -2.007 47.448 1.00 20.12 H new ATOM 0 HE3 TRP A 89 26.223 1.798 50.353 1.00 20.62 H new ATOM 0 HZ2 TRP A 89 29.679 0.126 47.695 1.00 22.00 H new ATOM 0 HZ3 TRP A 89 28.117 3.040 49.960 1.00 21.91 H new ATOM 0 HH2 TRP A 89 29.807 2.234 48.625 1.00 20.34 H new ATOM 745 N GLY A 90 22.834 -1.915 53.059 1.00 20.69 N ATOM 746 CA GLY A 90 21.727 -1.749 53.999 1.00 23.48 C ATOM 747 C GLY A 90 20.389 -1.529 53.286 1.00 22.48 C ATOM 748 O GLY A 90 20.032 -2.247 52.356 1.00 23.66 O ATOM 0 H GLY A 90 23.175 -2.705 53.064 1.00 20.69 H new ATOM 0 HA2 GLY A 90 21.665 -2.535 54.565 1.00 23.48 H new ATOM 0 HA3 GLY A 90 21.909 -0.994 54.581 1.00 23.48 H new ATOM 749 N THR A 91 19.660 -0.492 53.685 1.00 23.56 N ATOM 750 CA THR A 91 18.324 -0.302 53.133 1.00 23.40 C ATOM 751 C THR A 91 18.421 0.546 51.861 1.00 22.89 C ATOM 752 O THR A 91 19.461 1.158 51.580 1.00 21.31 O ATOM 753 CB THR A 91 17.406 0.364 54.164 1.00 23.79 C ATOM 754 OG1 THR A 91 17.967 1.641 54.471 1.00 22.44 O ATOM 755 CG2 THR A 91 17.245 -0.440 55.436 1.00 25.63 C ATOM 0 H THR A 91 19.911 0.098 54.258 1.00 23.56 H new ATOM 0 HA THR A 91 17.941 -1.165 52.911 1.00 23.40 H new ATOM 0 HB THR A 91 16.518 0.436 53.780 1.00 23.79 H new ATOM 0 HG1 THR A 91 17.669 1.908 55.210 1.00 22.44 H new ATOM 0 HG21 THR A 91 16.656 0.032 56.045 1.00 25.63 H new ATOM 0 HG22 THR A 91 16.864 -1.307 55.225 1.00 25.63 H new ATOM 0 HG23 THR A 91 18.112 -0.561 55.854 1.00 25.63 H new ATOM 756 N THR A 92 17.313 0.637 51.117 1.00 20.77 N ATOM 757 CA THR A 92 17.238 1.587 50.015 1.00 22.67 C ATOM 758 C THR A 92 17.552 2.999 50.497 1.00 21.78 C ATOM 759 O THR A 92 18.258 3.725 49.805 1.00 22.26 O ATOM 760 CB THR A 92 15.861 1.583 49.330 1.00 24.21 C ATOM 761 OG1 THR A 92 15.605 0.235 48.921 1.00 22.53 O ATOM 762 CG2 THR A 92 15.858 2.463 48.092 1.00 24.68 C ATOM 0 H THR A 92 16.606 0.162 51.236 1.00 20.77 H new ATOM 0 HA THR A 92 17.900 1.305 49.364 1.00 22.67 H new ATOM 0 HB THR A 92 15.191 1.920 49.945 1.00 24.21 H new ATOM 0 HG1 THR A 92 15.437 -0.236 49.596 1.00 22.53 H new ATOM 0 HG21 THR A 92 14.979 2.441 47.682 1.00 24.68 H new ATOM 0 HG22 THR A 92 16.075 3.375 48.342 1.00 24.68 H new ATOM 0 HG23 THR A 92 16.517 2.136 47.460 1.00 24.68 H new ATOM 763 N LEU A 93 17.030 3.374 51.682 1.00 21.03 N ATOM 764 CA LEU A 93 17.293 4.669 52.308 1.00 21.62 C ATOM 765 C LEU A 93 18.802 4.888 52.492 1.00 24.68 C ATOM 766 O LEU A 93 19.320 5.912 52.069 1.00 23.37 O ATOM 767 CB LEU A 93 16.570 4.706 53.656 1.00 25.18 C ATOM 768 CG LEU A 93 16.683 6.004 54.456 1.00 29.64 C ATOM 769 CD1 LEU A 93 16.445 7.197 53.554 1.00 30.66 C ATOM 770 CD2 LEU A 93 15.653 6.021 55.582 1.00 36.83 C ATOM 0 H LEU A 93 16.508 2.870 52.143 1.00 21.03 H new ATOM 0 HA LEU A 93 16.965 5.383 51.739 1.00 21.62 H new ATOM 0 HB2 LEU A 93 15.630 4.526 53.501 1.00 25.18 H new ATOM 0 HB3 LEU A 93 16.911 3.981 54.203 1.00 25.18 H new ATOM 0 HG LEU A 93 17.576 6.053 54.832 1.00 29.64 H new ATOM 0 HD11 LEU A 93 16.519 8.014 54.072 1.00 30.66 H new ATOM 0 HD12 LEU A 93 17.106 7.203 52.844 1.00 30.66 H new ATOM 0 HD13 LEU A 93 15.557 7.139 53.168 1.00 30.66 H new ATOM 0 HD21 LEU A 93 15.734 6.848 56.082 1.00 36.83 H new ATOM 0 HD22 LEU A 93 14.761 5.957 55.206 1.00 36.83 H new ATOM 0 HD23 LEU A 93 15.808 5.269 56.174 1.00 36.83 H new ATOM 771 N ASP A 94 19.494 3.918 53.106 1.00 23.77 N ATOM 772 CA ASP A 94 20.932 3.992 53.334 1.00 23.85 C ATOM 773 C ASP A 94 21.666 4.191 52.016 1.00 22.37 C ATOM 774 O ASP A 94 22.590 5.004 51.924 1.00 23.87 O ATOM 775 CB ASP A 94 21.500 2.720 53.969 1.00 23.99 C ATOM 776 CG ASP A 94 21.044 2.473 55.402 1.00 29.75 C ATOM 777 OD1 ASP A 94 20.844 3.454 56.137 1.00 30.25 O ATOM 778 OD2 ASP A 94 20.882 1.294 55.768 1.00 26.18 O ATOM 0 H ASP A 94 19.133 3.196 53.402 1.00 23.77 H new ATOM 0 HA ASP A 94 21.064 4.739 53.939 1.00 23.85 H new ATOM 0 HB2 ASP A 94 21.246 1.959 53.425 1.00 23.99 H new ATOM 0 HB3 ASP A 94 22.469 2.769 53.953 1.00 23.99 H new ATOM 779 N ALA A 95 21.312 3.368 51.022 1.00 20.96 N ATOM 780 CA ALA A 95 21.932 3.427 49.709 1.00 23.21 C ATOM 781 C ALA A 95 21.739 4.808 49.075 1.00 23.25 C ATOM 782 O ALA A 95 22.661 5.365 48.485 1.00 22.71 O ATOM 783 CB ALA A 95 21.371 2.335 48.813 1.00 18.86 C ATOM 0 H ALA A 95 20.705 2.763 51.098 1.00 20.96 H new ATOM 0 HA ALA A 95 22.885 3.280 49.812 1.00 23.21 H new ATOM 0 HB1 ALA A 95 21.792 2.384 47.940 1.00 18.86 H new ATOM 0 HB2 ALA A 95 21.549 1.468 49.209 1.00 18.86 H new ATOM 0 HB3 ALA A 95 20.413 2.455 48.717 1.00 18.86 H new ATOM 784 N MET A 96 20.520 5.336 49.125 1.00 22.50 N ATOM 785 CA MET A 96 20.219 6.588 48.447 1.00 20.80 C ATOM 786 C MET A 96 20.952 7.749 49.131 1.00 21.92 C ATOM 787 O MET A 96 21.424 8.660 48.457 1.00 23.48 O ATOM 788 CB MET A 96 18.704 6.825 48.444 1.00 23.37 C ATOM 789 CG MET A 96 18.237 7.910 47.488 1.00 25.55 C ATOM 790 SD MET A 96 18.503 7.539 45.722 1.00 29.26 S ATOM 791 CE MET A 96 17.471 6.109 45.418 1.00 25.69 C ATOM 0 H MET A 96 19.856 4.985 49.545 1.00 22.50 H new ATOM 0 HA MET A 96 20.525 6.536 47.528 1.00 20.80 H new ATOM 0 HB2 MET A 96 18.259 5.994 48.215 1.00 23.37 H new ATOM 0 HB3 MET A 96 18.423 7.059 49.342 1.00 23.37 H new ATOM 0 HG2 MET A 96 17.291 8.067 47.634 1.00 25.55 H new ATOM 0 HG3 MET A 96 18.698 8.735 47.705 1.00 25.55 H new ATOM 0 HE1 MET A 96 17.286 6.039 44.468 1.00 25.69 H new ATOM 0 HE2 MET A 96 17.930 5.309 45.717 1.00 25.69 H new ATOM 0 HE3 MET A 96 16.636 6.203 45.903 1.00 25.69 H new ATOM 792 N LYS A 97 21.079 7.692 50.461 1.00 21.67 N ATOM 793 CA LYS A 97 21.889 8.639 51.223 1.00 27.60 C ATOM 794 C LYS A 97 23.356 8.564 50.789 1.00 26.74 C ATOM 795 O LYS A 97 23.976 9.594 50.538 1.00 27.79 O ATOM 796 CB LYS A 97 21.788 8.367 52.729 1.00 26.84 C ATOM 797 CG LYS A 97 20.580 8.966 53.425 1.00 31.33 C ATOM 798 CD LYS A 97 20.406 8.427 54.827 1.00 36.88 C ATOM 799 CE LYS A 97 19.438 9.245 55.654 1.00 47.19 C ATOM 800 NZ LYS A 97 19.182 8.614 56.973 1.00 52.45 N ATOM 0 H LYS A 97 20.693 7.096 50.947 1.00 21.67 H new ATOM 0 HA LYS A 97 21.546 9.528 51.043 1.00 27.60 H new ATOM 0 HB2 LYS A 97 21.778 7.407 52.868 1.00 26.84 H new ATOM 0 HB3 LYS A 97 22.589 8.707 53.157 1.00 26.84 H new ATOM 0 HG2 LYS A 97 20.674 9.931 53.460 1.00 31.33 H new ATOM 0 HG3 LYS A 97 19.783 8.777 52.906 1.00 31.33 H new ATOM 0 HD2 LYS A 97 20.091 7.511 54.780 1.00 36.88 H new ATOM 0 HD3 LYS A 97 21.268 8.408 55.271 1.00 36.88 H new ATOM 0 HE2 LYS A 97 19.796 10.137 55.785 1.00 47.19 H new ATOM 0 HE3 LYS A 97 18.601 9.343 55.173 1.00 47.19 H new ATOM 0 HZ1 LYS A 97 18.611 9.115 57.436 1.00 52.45 H new ATOM 0 HZ2 LYS A 97 18.834 7.804 56.852 1.00 52.45 H new ATOM 0 HZ3 LYS A 97 19.947 8.544 57.422 1.00 52.45 H new ATOM 801 N ALA A 98 23.898 7.344 50.663 1.00 26.33 N ATOM 802 CA ALA A 98 25.278 7.181 50.225 1.00 23.74 C ATOM 803 C ALA A 98 25.461 7.704 48.796 1.00 24.78 C ATOM 804 O ALA A 98 26.471 8.338 48.497 1.00 23.47 O ATOM 805 CB ALA A 98 25.732 5.742 50.392 1.00 24.82 C ATOM 0 H ALA A 98 23.482 6.609 50.826 1.00 26.33 H new ATOM 0 HA ALA A 98 25.853 7.719 50.792 1.00 23.74 H new ATOM 0 HB1 ALA A 98 26.651 5.656 50.095 1.00 24.82 H new ATOM 0 HB2 ALA A 98 25.669 5.489 51.326 1.00 24.82 H new ATOM 0 HB3 ALA A 98 25.166 5.160 49.861 1.00 24.82 H new ATOM 806 N ALA A 99 24.453 7.487 47.929 1.00 21.98 N ATOM 807 CA ALA A 99 24.490 7.932 46.552 1.00 22.22 C ATOM 808 C ALA A 99 24.553 9.459 46.491 1.00 24.98 C ATOM 809 O ALA A 99 25.264 10.015 45.664 1.00 24.76 O ATOM 810 CB ALA A 99 23.300 7.383 45.783 1.00 23.96 C ATOM 0 H ALA A 99 23.730 7.073 48.140 1.00 21.98 H new ATOM 0 HA ALA A 99 25.292 7.588 46.129 1.00 22.22 H new ATOM 0 HB1 ALA A 99 23.339 7.690 44.864 1.00 23.96 H new ATOM 0 HB2 ALA A 99 23.322 6.413 45.801 1.00 23.96 H new ATOM 0 HB3 ALA A 99 22.478 7.695 46.193 1.00 23.96 H new ATOM 811 N ILE A 100 23.800 10.148 47.360 1.00 25.52 N ATOM 812 CA ILE A 100 23.781 11.602 47.285 1.00 23.44 C ATOM 813 C ILE A 100 25.108 12.192 47.789 1.00 24.99 C ATOM 814 O ILE A 100 25.659 13.118 47.196 1.00 23.58 O ATOM 815 CB AILE A 100 22.497 12.214 47.890 0.50 26.68 C ATOM 816 CB BILE A 100 22.628 12.139 48.152 0.50 20.21 C ATOM 817 CG1AILE A 100 22.166 13.572 47.264 0.50 28.68 C ATOM 818 CG1BILE A 100 21.275 11.974 47.454 0.50 16.33 C ATOM 819 CG2AILE A 100 22.546 12.268 49.406 0.50 23.82 C ATOM 820 CG2BILE A 100 22.906 13.581 48.555 0.50 18.31 C ATOM 821 CD1AILE A 100 20.699 13.935 47.310 0.50 32.68 C ATOM 822 CD1BILE A 100 20.091 12.129 48.380 0.50 17.49 C ATOM 0 H ILE A 100 23.312 9.801 47.977 1.00 25.52 H new ATOM 0 HA ILE A 100 23.726 11.867 46.353 1.00 23.44 H new ATOM 0 HB AILE A 100 21.765 11.618 47.665 0.50 20.21 H new ATOM 0 HB BILE A 100 22.576 11.611 48.964 0.50 20.21 H new ATOM 0 HG12AILE A 100 22.674 14.260 47.722 0.50 16.33 H new ATOM 0 HG12BILE A 100 21.206 12.628 46.741 0.50 16.33 H new ATOM 0 HG13AILE A 100 22.460 13.571 46.340 0.50 16.33 H new ATOM 0 HG13BILE A 100 21.239 11.098 47.039 0.50 16.33 H new ATOM 0 HG21AILE A 100 21.724 12.657 49.743 0.50 18.31 H new ATOM 0 HG21BILE A 100 22.175 13.911 49.101 0.50 18.31 H new ATOM 0 HG22AILE A 100 22.646 11.370 49.759 0.50 18.31 H new ATOM 0 HG22BILE A 100 23.732 13.622 49.062 0.50 18.31 H new ATOM 0 HG23AILE A 100 23.299 12.811 49.686 0.50 18.31 H new ATOM 0 HG23BILE A 100 22.988 14.129 47.759 0.50 18.31 H new ATOM 0 HD11AILE A 100 20.567 14.803 46.898 0.50 17.49 H new ATOM 0 HD11BILE A 100 19.269 12.013 47.877 0.50 17.49 H new ATOM 0 HD12AILE A 100 20.185 13.268 46.829 0.50 17.49 H new ATOM 0 HD12BILE A 100 20.138 11.460 49.080 0.50 17.49 H new ATOM 0 HD13AILE A 100 20.402 13.968 48.233 0.50 17.49 H new ATOM 0 HD13BILE A 100 20.105 13.014 48.778 0.50 17.49 H new ATOM 823 N VAL A 101 25.674 11.588 48.825 1.00 25.42 N ATOM 824 CA VAL A 101 27.002 11.977 49.299 1.00 26.65 C ATOM 825 C VAL A 101 28.006 11.871 48.159 1.00 26.06 C ATOM 826 O VAL A 101 28.862 12.745 47.984 1.00 28.29 O ATOM 827 CB VAL A 101 27.463 11.138 50.504 1.00 27.81 C ATOM 828 CG1 VAL A 101 28.960 11.320 50.761 1.00 30.14 C ATOM 829 CG2 VAL A 101 26.652 11.461 51.758 1.00 27.64 C ATOM 0 H VAL A 101 25.308 10.949 49.270 1.00 25.42 H new ATOM 0 HA VAL A 101 26.949 12.897 49.602 1.00 26.65 H new ATOM 0 HB VAL A 101 27.305 10.206 50.285 1.00 27.81 H new ATOM 0 HG11 VAL A 101 29.225 10.782 51.523 1.00 30.14 H new ATOM 0 HG12 VAL A 101 29.459 11.039 49.978 1.00 30.14 H new ATOM 0 HG13 VAL A 101 29.146 12.254 50.944 1.00 30.14 H new ATOM 0 HG21 VAL A 101 26.967 10.917 52.496 1.00 27.64 H new ATOM 0 HG22 VAL A 101 26.759 12.399 51.980 1.00 27.64 H new ATOM 0 HG23 VAL A 101 25.715 11.272 51.595 1.00 27.64 H new ATOM 830 N LEU A 102 27.927 10.772 47.420 1.00 24.41 N ATOM 831 CA LEU A 102 28.862 10.506 46.336 1.00 25.38 C ATOM 832 C LEU A 102 28.716 11.548 45.229 1.00 27.02 C ATOM 833 O LEU A 102 29.701 12.083 44.726 1.00 22.95 O ATOM 834 CB LEU A 102 28.605 9.090 45.812 1.00 26.33 C ATOM 835 CG LEU A 102 29.413 8.687 44.583 1.00 29.12 C ATOM 836 CD1 LEU A 102 30.892 8.660 44.941 1.00 34.59 C ATOM 837 CD2 LEU A 102 28.984 7.308 44.119 1.00 29.09 C ATOM 0 H LEU A 102 27.332 10.161 47.532 1.00 24.41 H new ATOM 0 HA LEU A 102 29.774 10.566 46.661 1.00 25.38 H new ATOM 0 HB2 LEU A 102 28.793 8.459 46.524 1.00 26.33 H new ATOM 0 HB3 LEU A 102 27.662 9.006 45.601 1.00 26.33 H new ATOM 0 HG LEU A 102 29.259 9.328 43.872 1.00 29.12 H new ATOM 0 HD11 LEU A 102 31.409 8.404 44.161 1.00 34.59 H new ATOM 0 HD12 LEU A 102 31.169 9.541 45.238 1.00 34.59 H new ATOM 0 HD13 LEU A 102 31.041 8.018 45.653 1.00 34.59 H new ATOM 0 HD21 LEU A 102 29.499 7.054 43.337 1.00 29.09 H new ATOM 0 HD22 LEU A 102 29.137 6.665 44.829 1.00 29.09 H new ATOM 0 HD23 LEU A 102 28.041 7.321 43.893 1.00 29.09 H new ATOM 838 N GLU A 103 27.477 11.815 44.816 1.00 24.21 N ATOM 839 CA GLU A 103 27.255 12.755 43.733 1.00 24.33 C ATOM 840 C GLU A 103 27.649 14.184 44.119 1.00 23.91 C ATOM 841 O GLU A 103 28.138 14.920 43.264 1.00 25.64 O ATOM 842 CB GLU A 103 25.800 12.700 43.287 1.00 25.70 C ATOM 843 CG GLU A 103 25.438 11.384 42.639 1.00 26.01 C ATOM 844 CD GLU A 103 26.193 10.997 41.381 1.00 25.44 C ATOM 845 OE1 GLU A 103 26.603 11.884 40.612 1.00 25.87 O ATOM 846 OE2 GLU A 103 26.288 9.801 41.128 1.00 29.00 O ATOM 0 H GLU A 103 26.765 11.465 45.147 1.00 24.21 H new ATOM 0 HA GLU A 103 27.826 12.494 42.994 1.00 24.33 H new ATOM 0 HB2 GLU A 103 25.225 12.848 44.054 1.00 25.70 H new ATOM 0 HB3 GLU A 103 25.630 13.422 42.662 1.00 25.70 H new ATOM 0 HG2 GLU A 103 25.567 10.681 43.295 1.00 26.01 H new ATOM 0 HG3 GLU A 103 24.492 11.404 42.427 1.00 26.01 H new ATOM 847 N LYS A 104 27.388 14.587 45.374 1.00 22.73 N ATOM 848 CA LYS A 104 27.851 15.879 45.863 1.00 26.78 C ATOM 849 C LYS A 104 29.377 15.986 45.804 1.00 29.08 C ATOM 850 O LYS A 104 29.896 17.064 45.505 1.00 27.68 O ATOM 851 CB LYS A 104 27.331 16.166 47.271 1.00 28.30 C ATOM 852 CG LYS A 104 25.931 16.767 47.303 1.00 33.20 C ATOM 853 CD LYS A 104 25.220 16.550 48.623 1.00 38.80 C ATOM 854 CE LYS A 104 24.940 17.835 49.371 1.00 42.49 C ATOM 855 NZ LYS A 104 23.939 17.601 50.437 1.00 53.19 N ATOM 0 H LYS A 104 26.946 14.124 45.948 1.00 22.73 H new ATOM 0 HA LYS A 104 27.486 16.557 45.273 1.00 26.78 H new ATOM 0 HB2 LYS A 104 27.330 15.340 47.780 1.00 28.30 H new ATOM 0 HB3 LYS A 104 27.944 16.773 47.715 1.00 28.30 H new ATOM 0 HG2 LYS A 104 25.990 17.719 47.126 1.00 33.20 H new ATOM 0 HG3 LYS A 104 25.402 16.378 46.589 1.00 33.20 H new ATOM 0 HD2 LYS A 104 24.382 16.089 48.460 1.00 38.80 H new ATOM 0 HD3 LYS A 104 25.759 15.969 49.182 1.00 38.80 H new ATOM 0 HE2 LYS A 104 25.761 18.176 49.759 1.00 42.49 H new ATOM 0 HE3 LYS A 104 24.615 18.511 48.756 1.00 42.49 H new ATOM 0 HZ1 LYS A 104 23.782 18.363 50.870 1.00 53.19 H new ATOM 0 HZ2 LYS A 104 23.182 17.305 50.074 1.00 53.19 H new ATOM 0 HZ3 LYS A 104 24.250 16.994 51.009 1.00 53.19 H new ATOM 856 N SER A 105 30.086 14.888 46.118 1.00 26.26 N ATOM 857 CA ASER A 105 31.542 14.828 46.009 0.50 28.67 C ATOM 858 CA BSER A 105 31.540 14.897 46.012 0.50 28.35 C ATOM 859 C SER A 105 31.983 15.036 44.560 1.00 26.94 C ATOM 860 O SER A 105 32.923 15.777 44.274 1.00 28.94 O ATOM 861 CB ASER A 105 32.072 13.513 46.559 0.50 27.64 C ATOM 862 CB BSER A 105 32.148 13.690 46.664 0.50 27.46 C ATOM 863 OG ASER A 105 32.000 12.481 45.579 0.50 27.91 O ATOM 864 OG BSER A 105 31.897 13.738 48.051 0.50 27.25 O ATOM 0 H ASER A 105 29.728 14.159 46.400 0.50 26.26 H new ATOM 0 H BSER A 105 29.745 14.146 46.388 0.50 26.26 H new ATOM 0 HA ASER A 105 31.917 15.546 46.543 0.50 28.35 H new ATOM 0 HA BSER A 105 31.866 15.674 46.493 0.50 28.35 H new ATOM 0 HB2ASER A 105 32.991 13.626 46.847 0.50 27.46 H new ATOM 0 HB2BSER A 105 31.773 12.880 46.284 0.50 27.46 H new ATOM 0 HB3ASER A 105 31.560 13.256 47.342 0.50 27.46 H new ATOM 0 HB3BSER A 105 33.103 13.666 46.498 0.50 27.46 H new ATOM 0 HG ASER A 105 31.216 12.180 45.546 0.50 27.25 H new ATOM 0 HG BSER A 105 31.142 13.407 48.211 0.50 27.25 H new ATOM 865 N LEU A 106 31.284 14.371 43.628 1.00 26.46 N ATOM 866 CA LEU A 106 31.626 14.528 42.226 1.00 25.86 C ATOM 867 C LEU A 106 31.382 15.975 41.818 1.00 27.59 C ATOM 868 O LEU A 106 32.181 16.567 41.095 1.00 26.61 O ATOM 869 CB LEU A 106 30.791 13.595 41.330 1.00 30.72 C ATOM 870 CG LEU A 106 31.244 12.137 41.223 1.00 35.25 C ATOM 871 CD1 LEU A 106 30.276 11.327 40.360 1.00 35.25 C ATOM 872 CD2 LEU A 106 32.650 12.035 40.656 1.00 35.31 C ATOM 0 H LEU A 106 30.627 13.840 43.790 1.00 26.46 H new ATOM 0 HA LEU A 106 32.560 14.293 42.111 1.00 25.86 H new ATOM 0 HB2 LEU A 106 29.878 13.603 41.657 1.00 30.72 H new ATOM 0 HB3 LEU A 106 30.776 13.971 40.436 1.00 30.72 H new ATOM 0 HG LEU A 106 31.248 11.769 42.120 1.00 35.25 H new ATOM 0 HD11 LEU A 106 30.582 10.408 40.306 1.00 35.25 H new ATOM 0 HD12 LEU A 106 29.391 11.350 40.757 1.00 35.25 H new ATOM 0 HD13 LEU A 106 30.240 11.708 39.469 1.00 35.25 H new ATOM 0 HD21 LEU A 106 32.910 11.102 40.600 1.00 35.31 H new ATOM 0 HD22 LEU A 106 32.671 12.430 39.770 1.00 35.31 H new ATOM 0 HD23 LEU A 106 33.268 12.508 41.235 1.00 35.31 H new ATOM 873 N ASN A 107 30.215 16.498 42.211 1.00 24.70 N ATOM 874 CA ASN A 107 29.797 17.839 41.834 1.00 25.15 C ATOM 875 C ASN A 107 30.834 18.870 42.293 1.00 24.02 C ATOM 876 O ASN A 107 31.191 19.782 41.549 1.00 25.22 O ATOM 877 CB ASN A 107 28.422 18.169 42.427 1.00 28.31 C ATOM 878 CG ASN A 107 27.799 19.382 41.772 1.00 26.70 C ATOM 879 OD1 ASN A 107 27.165 20.208 42.434 1.00 36.02 O ATOM 880 ND2 ASN A 107 27.989 19.502 40.476 1.00 25.72 N ATOM 0 H ASN A 107 29.648 16.079 42.704 1.00 24.70 H new ATOM 0 HA ASN A 107 29.728 17.874 40.867 1.00 25.15 H new ATOM 0 HB2 ASN A 107 27.833 17.406 42.320 1.00 28.31 H new ATOM 0 HB3 ASN A 107 28.511 18.327 43.380 1.00 28.31 H new ATOM 0 HD21 ASN A 107 27.665 20.178 40.055 1.00 25.72 H new ATOM 0 HD22 ASN A 107 28.437 18.904 40.050 1.00 25.72 H new ATOM 881 N GLN A 108 31.306 18.725 43.529 1.00 23.42 N ATOM 882 CA GLN A 108 32.242 19.692 44.085 1.00 24.73 C ATOM 883 C GLN A 108 33.561 19.611 43.314 1.00 25.10 C ATOM 884 O GLN A 108 34.247 20.617 43.101 1.00 24.65 O ATOM 885 CB GLN A 108 32.440 19.455 45.582 1.00 26.11 C ATOM 886 CG GLN A 108 33.313 20.520 46.236 1.00 30.20 C ATOM 887 CD GLN A 108 32.672 21.880 46.064 1.00 31.40 C ATOM 888 OE1 GLN A 108 31.545 22.100 46.507 1.00 32.36 O ATOM 889 NE2 GLN A 108 33.351 22.782 45.356 1.00 30.34 N ATOM 0 H GLN A 108 31.098 18.079 44.057 1.00 23.42 H new ATOM 0 HA GLN A 108 31.884 20.588 43.989 1.00 24.73 H new ATOM 0 HB2 GLN A 108 31.575 19.438 46.020 1.00 26.11 H new ATOM 0 HB3 GLN A 108 32.844 18.583 45.717 1.00 26.11 H new ATOM 0 HG2 GLN A 108 33.427 20.323 47.179 1.00 30.20 H new ATOM 0 HG3 GLN A 108 34.197 20.516 45.837 1.00 30.20 H new ATOM 0 HE21 GLN A 108 34.137 22.595 45.062 1.00 30.34 H new ATOM 0 HE22 GLN A 108 33.003 23.552 45.194 1.00 30.34 H new ATOM 890 N ALA A 109 33.893 18.402 42.864 1.00 27.13 N ATOM 891 CA ALA A 109 35.102 18.205 42.082 1.00 27.75 C ATOM 892 C ALA A 109 34.965 18.898 40.728 1.00 26.97 C ATOM 893 O ALA A 109 35.909 19.537 40.251 1.00 25.57 O ATOM 894 CB ALA A 109 35.414 16.738 41.937 1.00 24.04 C ATOM 0 H ALA A 109 33.432 17.689 43.002 1.00 27.13 H new ATOM 0 HA ALA A 109 35.851 18.608 42.548 1.00 27.75 H new ATOM 0 HB1 ALA A 109 36.223 16.629 41.413 1.00 24.04 H new ATOM 0 HB2 ALA A 109 35.543 16.346 42.815 1.00 24.04 H new ATOM 0 HB3 ALA A 109 34.677 16.293 41.490 1.00 24.04 H new ATOM 895 N LEU A 110 33.792 18.773 40.103 1.00 24.79 N ATOM 896 CA LEU A 110 33.519 19.502 38.874 1.00 25.81 C ATOM 897 C LEU A 110 33.620 21.008 39.110 1.00 24.61 C ATOM 898 O LEU A 110 34.117 21.734 38.263 1.00 23.97 O ATOM 899 CB LEU A 110 32.100 19.171 38.396 1.00 31.86 C ATOM 900 CG LEU A 110 31.929 17.856 37.645 1.00 33.08 C ATOM 901 CD1 LEU A 110 30.443 17.557 37.462 1.00 32.68 C ATOM 902 CD2 LEU A 110 32.625 17.934 36.286 1.00 33.11 C ATOM 0 H LEU A 110 33.148 18.273 40.376 1.00 24.79 H new ATOM 0 HA LEU A 110 34.172 19.241 38.206 1.00 25.81 H new ATOM 0 HB2 LEU A 110 31.514 19.159 39.169 1.00 31.86 H new ATOM 0 HB3 LEU A 110 31.797 19.891 37.821 1.00 31.86 H new ATOM 0 HG LEU A 110 32.334 17.140 38.159 1.00 33.08 H new ATOM 0 HD11 LEU A 110 30.338 16.720 36.984 1.00 32.68 H new ATOM 0 HD12 LEU A 110 30.017 17.488 38.331 1.00 32.68 H new ATOM 0 HD13 LEU A 110 30.029 18.273 36.955 1.00 32.68 H new ATOM 0 HD21 LEU A 110 32.511 17.094 35.815 1.00 33.11 H new ATOM 0 HD22 LEU A 110 32.235 18.652 35.763 1.00 33.11 H new ATOM 0 HD23 LEU A 110 33.571 18.106 36.416 1.00 33.11 H new ATOM 903 N LEU A 111 33.030 21.493 40.204 1.00 23.05 N ATOM 904 CA LEU A 111 33.065 22.915 40.510 1.00 24.60 C ATOM 905 C LEU A 111 34.510 23.370 40.735 1.00 27.71 C ATOM 906 O LEU A 111 34.927 24.391 40.193 1.00 27.18 O ATOM 907 CB LEU A 111 32.188 23.213 41.736 1.00 24.94 C ATOM 908 CG LEU A 111 30.689 22.985 41.551 1.00 25.76 C ATOM 909 CD1 LEU A 111 29.929 23.419 42.811 1.00 23.92 C ATOM 910 CD2 LEU A 111 30.178 23.742 40.326 1.00 24.86 C ATOM 0 H LEU A 111 32.606 21.013 40.778 1.00 23.05 H new ATOM 0 HA LEU A 111 32.708 23.413 39.758 1.00 24.60 H new ATOM 0 HB2 LEU A 111 32.494 22.661 42.473 1.00 24.94 H new ATOM 0 HB3 LEU A 111 32.328 24.137 41.996 1.00 24.94 H new ATOM 0 HG LEU A 111 30.534 22.038 41.407 1.00 25.76 H new ATOM 0 HD11 LEU A 111 28.979 23.270 42.683 1.00 23.92 H new ATOM 0 HD12 LEU A 111 30.238 22.900 43.570 1.00 23.92 H new ATOM 0 HD13 LEU A 111 30.089 24.361 42.977 1.00 23.92 H new ATOM 0 HD21 LEU A 111 29.226 23.587 40.223 1.00 24.86 H new ATOM 0 HD22 LEU A 111 30.340 24.691 40.441 1.00 24.86 H new ATOM 0 HD23 LEU A 111 30.644 23.429 39.535 1.00 24.86 H new ATOM 911 N ASP A 112 35.291 22.589 41.482 1.00 26.97 N ATOM 912 CA ASP A 112 36.703 22.902 41.661 1.00 27.24 C ATOM 913 C ASP A 112 37.447 22.994 40.317 1.00 30.62 C ATOM 914 O ASP A 112 38.302 23.864 40.125 1.00 28.40 O ATOM 915 CB ASP A 112 37.368 21.867 42.564 1.00 29.49 C ATOM 916 CG ASP A 112 36.857 21.903 43.994 1.00 32.49 C ATOM 917 OD1 ASP A 112 36.177 22.874 44.373 1.00 31.44 O ATOM 918 OD2 ASP A 112 37.129 20.953 44.701 1.00 36.11 O ATOM 0 H ASP A 112 35.023 21.880 41.889 1.00 26.97 H new ATOM 0 HA ASP A 112 36.755 23.773 42.084 1.00 27.24 H new ATOM 0 HB2 ASP A 112 37.219 20.982 42.196 1.00 29.49 H new ATOM 0 HB3 ASP A 112 38.326 22.016 42.566 1.00 29.49 H new ATOM 919 N LEU A 113 37.211 22.037 39.411 1.00 27.81 N ATOM 920 CA LEU A 113 37.852 22.074 38.101 1.00 27.18 C ATOM 921 C LEU A 113 37.410 23.290 37.283 1.00 30.68 C ATOM 922 O LEU A 113 38.230 23.912 36.599 1.00 31.20 O ATOM 923 CB LEU A 113 37.579 20.769 37.351 1.00 25.71 C ATOM 924 CG LEU A 113 38.204 20.666 35.959 1.00 29.59 C ATOM 925 CD1 LEU A 113 39.735 20.835 35.989 1.00 30.71 C ATOM 926 CD2 LEU A 113 37.820 19.349 35.305 1.00 30.88 C ATOM 0 H LEU A 113 36.688 21.366 39.538 1.00 27.81 H new ATOM 0 HA LEU A 113 38.809 22.163 38.235 1.00 27.18 H new ATOM 0 HB2 LEU A 113 37.904 20.031 37.890 1.00 25.71 H new ATOM 0 HB3 LEU A 113 36.619 20.658 37.266 1.00 25.71 H new ATOM 0 HG LEU A 113 37.851 21.398 35.429 1.00 29.59 H new ATOM 0 HD11 LEU A 113 40.086 20.763 35.088 1.00 30.71 H new ATOM 0 HD12 LEU A 113 39.958 21.706 36.353 1.00 30.71 H new ATOM 0 HD13 LEU A 113 40.126 20.143 36.545 1.00 30.71 H new ATOM 0 HD21 LEU A 113 38.222 19.296 34.424 1.00 30.88 H new ATOM 0 HD22 LEU A 113 38.138 18.612 35.850 1.00 30.88 H new ATOM 0 HD23 LEU A 113 36.855 19.297 35.223 1.00 30.88 H new ATOM 927 N HIS A 114 36.115 23.620 37.348 1.00 28.84 N ATOM 928 CA HIS A 114 35.630 24.819 36.681 1.00 34.30 C ATOM 929 C HIS A 114 36.384 26.051 37.198 1.00 31.40 C ATOM 930 O HIS A 114 36.806 26.890 36.403 1.00 32.10 O ATOM 931 CB HIS A 114 34.096 24.933 36.769 1.00 33.23 C ATOM 932 CG HIS A 114 33.526 25.987 35.878 1.00 41.86 C ATOM 933 ND1 HIS A 114 33.719 27.341 36.109 1.00 42.16 N ATOM 934 CD2 HIS A 114 32.752 25.901 34.774 1.00 38.10 C ATOM 935 CE1 HIS A 114 33.130 28.039 35.152 1.00 42.68 C ATOM 936 NE2 HIS A 114 32.534 27.180 34.322 1.00 41.12 N ATOM 0 H HIS A 114 35.515 23.168 37.767 1.00 28.84 H new ATOM 0 HA HIS A 114 35.820 24.760 35.732 1.00 34.30 H new ATOM 0 HB2 HIS A 114 33.701 24.077 36.539 1.00 33.23 H new ATOM 0 HB3 HIS A 114 33.845 25.124 37.686 1.00 33.23 H new ATOM 0 HD2 HIS A 114 32.426 25.119 34.390 1.00 38.10 H new ATOM 0 HE1 HIS A 114 33.131 28.966 35.072 1.00 42.68 H new ATOM 0 HE2 HIS A 114 32.087 27.393 33.619 1.00 41.12 H new ATOM 937 N ALA A 115 36.590 26.133 38.520 1.00 32.48 N ATOM 938 CA ALA A 115 37.254 27.291 39.109 1.00 32.94 C ATOM 939 C ALA A 115 38.702 27.372 38.620 1.00 35.53 C ATOM 940 O ALA A 115 39.213 28.465 38.374 1.00 35.61 O ATOM 941 CB ALA A 115 37.186 27.257 40.621 1.00 30.86 C ATOM 0 H ALA A 115 36.352 25.530 39.085 1.00 32.48 H new ATOM 0 HA ALA A 115 36.787 28.091 38.820 1.00 32.94 H new ATOM 0 HB1 ALA A 115 37.635 28.037 40.983 1.00 30.86 H new ATOM 0 HB2 ALA A 115 36.258 27.258 40.903 1.00 30.86 H new ATOM 0 HB3 ALA A 115 37.622 26.454 40.947 1.00 30.86 H new ATOM 942 N LEU A 116 39.357 26.211 38.495 1.00 33.74 N ATOM 943 CA LEU A 116 40.730 26.141 38.021 1.00 36.10 C ATOM 944 C LEU A 116 40.773 26.580 36.553 1.00 33.30 C ATOM 945 O LEU A 116 41.625 27.371 36.150 1.00 32.63 O ATOM 946 CB LEU A 116 41.222 24.703 38.238 1.00 33.10 C ATOM 947 CG LEU A 116 42.634 24.357 37.764 1.00 39.97 C ATOM 948 CD1 LEU A 116 43.685 25.192 38.492 1.00 40.05 C ATOM 949 CD2 LEU A 116 42.917 22.875 37.984 1.00 37.14 C ATOM 0 H LEU A 116 39.011 25.447 38.684 1.00 33.74 H new ATOM 0 HA LEU A 116 41.320 26.738 38.507 1.00 36.10 H new ATOM 0 HB2 LEU A 116 41.170 24.509 39.187 1.00 33.10 H new ATOM 0 HB3 LEU A 116 40.602 24.105 37.792 1.00 33.10 H new ATOM 0 HG LEU A 116 42.684 24.559 36.817 1.00 39.97 H new ATOM 0 HD11 LEU A 116 44.568 24.951 38.172 1.00 40.05 H new ATOM 0 HD12 LEU A 116 43.525 26.134 38.322 1.00 40.05 H new ATOM 0 HD13 LEU A 116 43.630 25.022 39.445 1.00 40.05 H new ATOM 0 HD21 LEU A 116 43.815 22.668 37.680 1.00 37.14 H new ATOM 0 HD22 LEU A 116 42.840 22.667 38.928 1.00 37.14 H new ATOM 0 HD23 LEU A 116 42.276 22.345 37.484 1.00 37.14 H new ATOM 950 N GLY A 117 39.804 26.113 35.757 1.00 34.38 N ATOM 951 CA GLY A 117 39.712 26.518 34.360 1.00 37.44 C ATOM 952 C GLY A 117 39.535 28.030 34.221 1.00 39.04 C ATOM 953 O GLY A 117 40.158 28.661 33.366 1.00 41.12 O ATOM 0 H GLY A 117 39.194 25.562 36.011 1.00 34.38 H new ATOM 0 HA2 GLY A 117 40.513 26.241 33.889 1.00 37.44 H new ATOM 0 HA3 GLY A 117 38.965 26.064 33.940 1.00 37.44 H new ATOM 954 N SER A 118 38.682 28.596 35.084 1.00 39.82 N ATOM 955 CA ASER A 118 38.446 30.031 35.104 0.50 36.80 C ATOM 956 CA BSER A 118 38.437 30.029 35.141 0.50 37.85 C ATOM 957 C SER A 118 39.738 30.775 35.430 1.00 35.68 C ATOM 958 O SER A 118 40.081 31.719 34.728 1.00 39.58 O ATOM 959 CB ASER A 118 37.340 30.420 36.048 0.50 38.06 C ATOM 960 CB BSER A 118 37.383 30.344 36.171 0.50 40.21 C ATOM 961 OG ASER A 118 36.982 31.784 35.853 0.50 33.56 O ATOM 962 OG BSER A 118 36.176 29.649 35.884 0.50 40.10 O ATOM 0 H ASER A 118 38.230 28.155 35.668 0.50 39.82 H new ATOM 0 H BSER A 118 38.227 28.145 35.658 0.50 39.82 H new ATOM 0 HA ASER A 118 38.152 30.289 34.216 0.50 37.85 H new ATOM 0 HA BSER A 118 38.105 30.326 34.279 0.50 37.85 H new ATOM 0 HB2ASER A 118 36.567 29.852 35.902 0.50 40.21 H new ATOM 0 HB2BSER A 118 37.702 30.097 37.053 0.50 40.21 H new ATOM 0 HB3ASER A 118 37.625 30.282 36.965 0.50 40.21 H new ATOM 0 HB3BSER A 118 37.216 31.299 36.187 0.50 40.21 H new ATOM 0 HG ASER A 118 36.364 31.990 36.383 0.50 40.10 H new ATOM 0 HG BSER A 118 36.284 28.828 36.027 0.50 40.10 H new ATOM 963 N ALA A 119 40.447 30.343 36.487 1.00 37.65 N ATOM 964 CA ALA A 119 41.706 30.958 36.905 1.00 38.36 C ATOM 965 C ALA A 119 42.767 30.880 35.803 1.00 42.62 C ATOM 966 O ALA A 119 43.587 31.787 35.653 1.00 40.14 O ATOM 967 CB ALA A 119 42.211 30.309 38.170 1.00 38.78 C ATOM 0 H ALA A 119 40.204 29.681 36.980 1.00 37.65 H new ATOM 0 HA ALA A 119 41.533 31.896 37.079 1.00 38.36 H new ATOM 0 HB1 ALA A 119 43.046 30.725 38.437 1.00 38.78 H new ATOM 0 HB2 ALA A 119 41.555 30.421 38.875 1.00 38.78 H new ATOM 0 HB3 ALA A 119 42.358 29.363 38.012 1.00 38.78 H new ATOM 968 N GLN A 120 42.777 29.769 35.058 1.00 42.45 N ATOM 969 CA GLN A 120 43.761 29.552 34.010 1.00 39.71 C ATOM 970 C GLN A 120 43.284 30.206 32.715 1.00 40.76 C ATOM 971 O GLN A 120 43.987 30.138 31.711 1.00 42.38 O ATOM 972 CB GLN A 120 43.998 28.054 33.781 1.00 33.63 C ATOM 973 CG GLN A 120 44.695 27.346 34.941 1.00 35.66 C ATOM 974 CD GLN A 120 46.195 27.531 34.950 1.00 48.30 C ATOM 975 OE1 GLN A 120 46.731 28.047 33.854 1.00 51.94 O flip ATOM 976 NE2 GLN A 120 46.873 27.234 35.936 1.00 42.59 N flip ATOM 0 H GLN A 120 42.213 29.126 35.151 1.00 42.45 H new ATOM 0 HA GLN A 120 44.599 29.953 34.288 1.00 39.71 H new ATOM 0 HB2 GLN A 120 43.144 27.623 33.618 1.00 33.63 H new ATOM 0 HB3 GLN A 120 44.531 27.940 32.979 1.00 33.63 H new ATOM 0 HG2 GLN A 120 44.331 27.676 35.777 1.00 35.66 H new ATOM 0 HG3 GLN A 120 44.494 26.398 34.899 1.00 35.66 H new ATOM 0 HE21 GLN A 120 46.495 26.901 36.633 1.00 42.59 H new ATOM 0 HE22 GLN A 120 47.724 27.360 35.927 1.00 42.59 H new ATOM 977 N ALA A 121 42.074 30.787 32.727 1.00 35.89 N ATOM 978 CA ALA A 121 41.490 31.392 31.533 1.00 37.89 C ATOM 979 C ALA A 121 41.379 30.361 30.403 1.00 37.13 C ATOM 980 O ALA A 121 41.889 30.568 29.304 1.00 32.06 O ATOM 981 CB ALA A 121 42.294 32.604 31.111 1.00 39.35 C ATOM 0 H ALA A 121 41.576 30.838 33.427 1.00 35.89 H new ATOM 0 HA ALA A 121 40.591 31.692 31.740 1.00 37.89 H new ATOM 0 HB1 ALA A 121 41.896 32.996 30.318 1.00 39.35 H new ATOM 0 HB2 ALA A 121 42.296 33.257 31.828 1.00 39.35 H new ATOM 0 HB3 ALA A 121 43.206 32.336 30.916 1.00 39.35 H new ATOM 982 N ASP A 122 40.645 29.271 30.657 1.00 32.51 N ATOM 983 CA ASP A 122 40.496 28.181 29.704 1.00 34.21 C ATOM 984 C ASP A 122 39.008 28.032 29.386 1.00 34.90 C ATOM 985 O ASP A 122 38.309 27.213 29.992 1.00 32.49 O ATOM 986 CB ASP A 122 41.123 26.906 30.280 1.00 35.09 C ATOM 987 CG ASP A 122 41.148 25.713 29.335 1.00 36.11 C ATOM 988 OD1 ASP A 122 40.422 25.739 28.290 1.00 32.73 O ATOM 989 OD2 ASP A 122 41.876 24.763 29.659 1.00 33.26 O ATOM 0 H ASP A 122 40.219 29.149 31.394 1.00 32.51 H new ATOM 0 HA ASP A 122 40.963 28.363 28.873 1.00 34.21 H new ATOM 0 HB2 ASP A 122 42.033 27.104 30.552 1.00 35.09 H new ATOM 0 HB3 ASP A 122 40.636 26.656 31.081 1.00 35.09 H new ATOM 990 N PRO A 123 38.446 28.907 28.521 1.00 33.66 N ATOM 991 CA PRO A 123 36.998 28.959 28.335 1.00 33.51 C ATOM 992 C PRO A 123 36.473 27.682 27.686 1.00 32.71 C ATOM 993 O PRO A 123 35.300 27.353 27.840 1.00 31.47 O ATOM 994 CB PRO A 123 36.760 30.189 27.444 1.00 32.51 C ATOM 995 CG PRO A 123 38.103 30.454 26.777 1.00 33.07 C ATOM 996 CD PRO A 123 39.158 29.923 27.727 1.00 36.37 C ATOM 0 HA PRO A 123 36.525 29.029 29.179 1.00 33.51 H new ATOM 0 HB2 PRO A 123 36.068 30.018 26.786 1.00 32.51 H new ATOM 0 HB3 PRO A 123 36.471 30.952 27.968 1.00 32.51 H new ATOM 0 HG2 PRO A 123 38.156 30.010 25.916 1.00 33.07 H new ATOM 0 HG3 PRO A 123 38.228 31.402 26.615 1.00 33.07 H new ATOM 0 HD2 PRO A 123 39.907 29.537 27.246 1.00 36.37 H new ATOM 0 HD3 PRO A 123 39.515 30.627 28.290 1.00 36.37 H new ATOM 997 N HIS A 124 37.335 26.976 26.946 1.00 31.99 N ATOM 998 CA HIS A 124 36.902 25.717 26.354 1.00 31.20 C ATOM 999 C HIS A 124 36.591 24.698 27.450 1.00 31.85 C ATOM 1000 O HIS A 124 35.581 23.993 27.376 1.00 30.52 O ATOM 1001 CB HIS A 124 37.937 25.142 25.374 1.00 31.45 C ATOM 1002 CG HIS A 124 37.436 23.890 24.731 1.00 33.68 C ATOM 1003 ND1 HIS A 124 37.590 22.633 25.317 1.00 32.70 N ATOM 1004 CD2 HIS A 124 36.698 23.702 23.613 1.00 33.36 C ATOM 1005 CE1 HIS A 124 37.019 21.721 24.554 1.00 34.30 C ATOM 1006 NE2 HIS A 124 36.476 22.353 23.490 1.00 34.99 N ATOM 0 H HIS A 124 38.148 27.203 26.781 1.00 31.99 H new ATOM 0 HA HIS A 124 36.098 25.902 25.845 1.00 31.20 H new ATOM 0 HB2 HIS A 124 38.140 25.800 24.691 1.00 31.45 H new ATOM 0 HB3 HIS A 124 38.765 24.958 25.845 1.00 31.45 H new ATOM 0 HD2 HIS A 124 36.397 24.365 23.034 1.00 33.36 H new ATOM 0 HE1 HIS A 124 36.994 20.806 24.719 1.00 34.30 H new ATOM 0 HE2 HIS A 124 36.059 21.972 22.841 1.00 34.99 H new ATOM 1007 N LEU A 125 37.466 24.621 28.461 1.00 30.46 N ATOM 1008 CA LEU A 125 37.224 23.685 29.557 1.00 32.13 C ATOM 1009 C LEU A 125 35.931 24.069 30.275 1.00 29.77 C ATOM 1010 O LEU A 125 35.062 23.229 30.478 1.00 33.90 O ATOM 1011 CB LEU A 125 38.401 23.656 30.541 1.00 30.29 C ATOM 1012 CG LEU A 125 38.198 22.713 31.733 1.00 36.32 C ATOM 1013 CD1 LEU A 125 38.458 21.265 31.346 1.00 32.11 C ATOM 1014 CD2 LEU A 125 39.072 23.103 32.910 1.00 34.78 C ATOM 0 H LEU A 125 38.184 25.089 28.528 1.00 30.46 H new ATOM 0 HA LEU A 125 37.136 22.792 29.188 1.00 32.13 H new ATOM 0 HB2 LEU A 125 39.203 23.390 30.064 1.00 30.29 H new ATOM 0 HB3 LEU A 125 38.554 24.554 30.874 1.00 30.29 H new ATOM 0 HG LEU A 125 37.270 22.797 32.003 1.00 36.32 H new ATOM 0 HD11 LEU A 125 38.322 20.694 32.118 1.00 32.11 H new ATOM 0 HD12 LEU A 125 37.847 21.004 30.640 1.00 32.11 H new ATOM 0 HD13 LEU A 125 39.371 21.173 31.033 1.00 32.11 H new ATOM 0 HD21 LEU A 125 38.919 22.488 33.644 1.00 34.78 H new ATOM 0 HD22 LEU A 125 40.005 23.066 32.647 1.00 34.78 H new ATOM 0 HD23 LEU A 125 38.851 24.004 33.192 1.00 34.78 H new ATOM 1015 N CYS A 126 35.792 25.362 30.580 1.00 34.28 N ATOM 1016 CA CYS A 126 34.637 25.858 31.312 1.00 40.14 C ATOM 1017 C CYS A 126 33.368 25.539 30.526 1.00 40.68 C ATOM 1018 O CYS A 126 32.422 25.009 31.106 1.00 40.36 O ATOM 1019 CB CYS A 126 34.779 27.339 31.669 1.00 46.80 C ATOM 1020 SG CYS A 126 36.100 27.668 32.880 1.00 50.63 S ATOM 0 H CYS A 126 36.364 25.968 30.368 1.00 34.28 H new ATOM 0 HA CYS A 126 34.577 25.403 32.166 1.00 40.14 H new ATOM 0 HB2 CYS A 126 34.958 27.844 30.860 1.00 46.80 H new ATOM 0 HB3 CYS A 126 33.936 27.661 32.024 1.00 46.80 H new ATOM 0 HG CYS A 126 36.151 28.845 33.107 1.00 50.63 H new ATOM 1021 N ASP A 127 33.374 25.773 29.202 1.00 38.23 N ATOM 1022 CA ASP A 127 32.206 25.431 28.391 1.00 40.52 C ATOM 1023 C ASP A 127 31.952 23.923 28.418 1.00 41.28 C ATOM 1024 O ASP A 127 30.805 23.489 28.518 1.00 38.27 O ATOM 1025 CB ASP A 127 32.295 25.905 26.934 1.00 50.52 C ATOM 1026 CG ASP A 127 31.113 25.419 26.091 1.00 63.00 C ATOM 1027 OD1 ASP A 127 29.982 25.903 26.344 1.00 61.64 O ATOM 1028 OD2 ASP A 127 31.316 24.525 25.215 1.00 58.61 O ATOM 0 H ASP A 127 34.031 26.121 28.769 1.00 38.23 H new ATOM 0 HA ASP A 127 31.464 25.907 28.796 1.00 40.52 H new ATOM 0 HB2 ASP A 127 32.328 26.874 26.913 1.00 50.52 H new ATOM 0 HB3 ASP A 127 33.122 25.585 26.542 1.00 50.52 H new ATOM 1029 N PHE A 128 33.024 23.133 28.279 1.00 32.48 N ATOM 1030 CA PHE A 128 32.905 21.684 28.253 1.00 35.63 C ATOM 1031 C PHE A 128 32.232 21.175 29.533 1.00 35.09 C ATOM 1032 O PHE A 128 31.314 20.348 29.479 1.00 35.68 O ATOM 1033 CB PHE A 128 34.290 21.053 28.064 1.00 35.08 C ATOM 1034 CG PHE A 128 34.321 19.559 28.254 1.00 36.60 C ATOM 1035 CD1 PHE A 128 33.986 18.702 27.215 1.00 39.21 C ATOM 1036 CD2 PHE A 128 34.675 19.010 29.477 1.00 41.89 C ATOM 1037 CE1 PHE A 128 33.978 17.328 27.403 1.00 33.53 C ATOM 1038 CE2 PHE A 128 34.730 17.634 29.642 1.00 40.73 C ATOM 1039 CZ PHE A 128 34.362 16.800 28.610 1.00 34.89 C ATOM 0 H PHE A 128 33.829 23.425 28.199 1.00 32.48 H new ATOM 0 HA PHE A 128 32.345 21.424 27.505 1.00 35.63 H new ATOM 0 HB2 PHE A 128 34.610 21.262 27.173 1.00 35.08 H new ATOM 0 HB3 PHE A 128 34.908 21.461 28.690 1.00 35.08 H new ATOM 0 HD1 PHE A 128 33.764 19.053 26.383 1.00 39.21 H new ATOM 0 HD2 PHE A 128 34.877 19.569 30.192 1.00 41.89 H new ATOM 0 HE1 PHE A 128 33.713 16.765 26.712 1.00 33.53 H new ATOM 0 HE2 PHE A 128 35.016 17.274 30.451 1.00 40.73 H new ATOM 0 HZ PHE A 128 34.374 15.878 28.731 1.00 34.89 H new ATOM 1040 N LEU A 129 32.737 21.623 30.689 1.00 29.79 N ATOM 1041 CA LEU A 129 32.161 21.240 31.972 1.00 33.23 C ATOM 1042 C LEU A 129 30.694 21.669 32.010 1.00 35.80 C ATOM 1043 O LEU A 129 29.827 20.898 32.413 1.00 36.40 O ATOM 1044 CB LEU A 129 32.947 21.938 33.086 1.00 35.23 C ATOM 1045 CG LEU A 129 33.954 21.108 33.889 1.00 42.75 C ATOM 1046 CD1 LEU A 129 34.389 19.831 33.186 1.00 34.30 C ATOM 1047 CD2 LEU A 129 35.156 21.944 34.294 1.00 32.31 C ATOM 0 H LEU A 129 33.414 22.150 30.746 1.00 29.79 H new ATOM 0 HA LEU A 129 32.210 20.279 32.095 1.00 33.23 H new ATOM 0 HB2 LEU A 129 33.426 22.683 32.689 1.00 35.23 H new ATOM 0 HB3 LEU A 129 32.307 22.313 33.711 1.00 35.23 H new ATOM 0 HG LEU A 129 33.486 20.827 34.691 1.00 42.75 H new ATOM 0 HD11 LEU A 129 35.023 19.354 33.744 1.00 34.30 H new ATOM 0 HD12 LEU A 129 33.614 19.270 33.025 1.00 34.30 H new ATOM 0 HD13 LEU A 129 34.807 20.054 32.340 1.00 34.30 H new ATOM 0 HD21 LEU A 129 35.776 21.396 34.800 1.00 32.31 H new ATOM 0 HD22 LEU A 129 35.598 22.282 33.499 1.00 32.31 H new ATOM 0 HD23 LEU A 129 34.863 22.689 34.842 1.00 32.31 H new ATOM 1048 N GLU A 130 30.423 22.923 31.628 1.00 36.87 N ATOM 1049 CA GLU A 130 29.083 23.488 31.735 1.00 49.40 C ATOM 1050 C GLU A 130 28.104 22.617 30.947 1.00 54.32 C ATOM 1051 O GLU A 130 27.102 22.156 31.498 1.00 58.38 O ATOM 1052 CB GLU A 130 29.065 24.965 31.316 1.00 50.48 C ATOM 1053 CG GLU A 130 29.751 25.904 32.315 1.00 55.59 C ATOM 1054 CD GLU A 130 30.081 27.314 31.829 1.00 61.23 C ATOM 1055 OE1 GLU A 130 29.508 27.744 30.801 1.00 67.03 O ATOM 1056 OE2 GLU A 130 30.911 27.995 32.481 1.00 59.96 O ATOM 0 H GLU A 130 31.009 23.462 31.303 1.00 36.87 H new ATOM 0 HA GLU A 130 28.796 23.483 32.662 1.00 49.40 H new ATOM 0 HB2 GLU A 130 29.499 25.052 30.453 1.00 50.48 H new ATOM 0 HB3 GLU A 130 28.144 25.248 31.200 1.00 50.48 H new ATOM 0 HG2 GLU A 130 29.182 25.980 33.097 1.00 55.59 H new ATOM 0 HG3 GLU A 130 30.576 25.484 32.605 1.00 55.59 H new ATOM 1057 N SER A 131 28.479 22.331 29.689 1.00 56.41 N ATOM 1058 CA SER A 131 27.665 21.659 28.683 1.00 62.84 C ATOM 1059 C SER A 131 27.318 20.224 29.084 1.00 64.39 C ATOM 1060 O SER A 131 26.186 19.790 28.861 1.00 59.86 O ATOM 1061 CB SER A 131 28.344 21.664 27.322 1.00 67.20 C ATOM 1062 OG SER A 131 28.651 22.981 26.884 1.00 76.07 O ATOM 0 H SER A 131 29.259 22.539 29.392 1.00 56.41 H new ATOM 0 HA SER A 131 26.838 22.163 28.622 1.00 62.84 H new ATOM 0 HB2 SER A 131 29.160 21.141 27.367 1.00 67.20 H new ATOM 0 HB3 SER A 131 27.766 21.234 26.672 1.00 67.20 H new ATOM 0 HG SER A 131 29.320 23.267 27.304 1.00 76.07 H new ATOM 1063 N HIS A 132 28.312 19.472 29.591 1.00 47.06 N ATOM 1064 CA HIS A 132 28.196 18.021 29.652 1.00 50.15 C ATOM 1065 C HIS A 132 28.134 17.475 31.086 1.00 48.12 C ATOM 1066 O HIS A 132 27.951 16.268 31.262 1.00 45.71 O ATOM 1067 CB HIS A 132 29.298 17.342 28.810 1.00 64.65 C ATOM 1068 CG HIS A 132 29.457 17.886 27.427 1.00 70.66 C ATOM 1069 ND1 HIS A 132 28.407 17.949 26.523 1.00 73.59 N ATOM 1070 CD2 HIS A 132 30.536 18.388 26.786 1.00 74.53 C ATOM 1071 CE1 HIS A 132 28.829 18.482 25.393 1.00 71.57 C ATOM 1072 NE2 HIS A 132 30.134 18.756 25.528 1.00 80.48 N ATOM 0 H HIS A 132 29.050 19.788 29.899 1.00 47.06 H new ATOM 0 HA HIS A 132 27.340 17.793 29.258 1.00 50.15 H new ATOM 0 HB2 HIS A 132 30.144 17.429 29.277 1.00 64.65 H new ATOM 0 HB3 HIS A 132 29.103 16.394 28.750 1.00 64.65 H new ATOM 0 HD2 HIS A 132 31.394 18.469 27.135 1.00 74.53 H new ATOM 0 HE1 HIS A 132 28.312 18.640 24.636 1.00 71.57 H new ATOM 0 HE2 HIS A 132 30.637 19.105 24.924 1.00 80.48 H new ATOM 1073 N PHE A 133 28.341 18.321 32.113 1.00 34.66 N ATOM 1074 CA PHE A 133 28.581 17.774 33.442 1.00 32.84 C ATOM 1075 C PHE A 133 27.760 18.478 34.517 1.00 33.50 C ATOM 1076 O PHE A 133 27.125 17.800 35.322 1.00 30.69 O ATOM 1077 CB PHE A 133 30.072 17.767 33.778 1.00 32.12 C ATOM 1078 CG PHE A 133 30.844 16.701 33.037 1.00 33.65 C ATOM 1079 CD1 PHE A 133 31.312 16.928 31.752 1.00 36.59 C ATOM 1080 CD2 PHE A 133 30.996 15.435 33.576 1.00 33.74 C ATOM 1081 CE1 PHE A 133 31.978 15.930 31.054 1.00 38.59 C ATOM 1082 CE2 PHE A 133 31.681 14.443 32.892 1.00 37.06 C ATOM 1083 CZ PHE A 133 32.144 14.683 31.618 1.00 35.23 C ATOM 0 H PHE A 133 28.345 19.179 32.057 1.00 34.66 H new ATOM 0 HA PHE A 133 28.279 16.852 33.428 1.00 32.84 H new ATOM 0 HB2 PHE A 133 30.449 18.636 33.568 1.00 32.12 H new ATOM 0 HB3 PHE A 133 30.182 17.633 34.732 1.00 32.12 H new ATOM 0 HD1 PHE A 133 31.178 17.758 31.353 1.00 36.59 H new ATOM 0 HD2 PHE A 133 30.632 15.247 34.411 1.00 33.74 H new ATOM 0 HE1 PHE A 133 32.313 16.103 30.204 1.00 38.59 H new ATOM 0 HE2 PHE A 133 31.828 13.617 33.293 1.00 37.06 H new ATOM 0 HZ PHE A 133 32.567 14.007 31.140 1.00 35.23 H new ATOM 1084 N LEU A 134 27.829 19.817 34.559 1.00 31.06 N ATOM 1085 CA LEU A 134 27.283 20.574 35.684 1.00 32.93 C ATOM 1086 C LEU A 134 25.767 20.390 35.770 1.00 31.20 C ATOM 1087 O LEU A 134 25.244 20.185 36.860 1.00 29.41 O ATOM 1088 CB LEU A 134 27.610 22.061 35.520 1.00 35.06 C ATOM 1089 CG LEU A 134 29.076 22.477 35.641 1.00 40.87 C ATOM 1090 CD1 LEU A 134 29.184 23.989 35.478 1.00 41.30 C ATOM 1091 CD2 LEU A 134 29.656 22.061 36.983 1.00 35.60 C ATOM 0 H LEU A 134 28.188 20.300 33.945 1.00 31.06 H new ATOM 0 HA LEU A 134 27.686 20.242 36.502 1.00 32.93 H new ATOM 0 HB2 LEU A 134 27.289 22.344 34.650 1.00 35.06 H new ATOM 0 HB3 LEU A 134 27.103 22.554 36.184 1.00 35.06 H new ATOM 0 HG LEU A 134 29.583 22.031 34.944 1.00 40.87 H new ATOM 0 HD11 LEU A 134 30.113 24.257 35.554 1.00 41.30 H new ATOM 0 HD12 LEU A 134 28.844 24.246 34.607 1.00 41.30 H new ATOM 0 HD13 LEU A 134 28.664 24.427 36.169 1.00 41.30 H new ATOM 0 HD21 LEU A 134 30.585 22.336 37.034 1.00 35.60 H new ATOM 0 HD22 LEU A 134 29.154 22.484 37.698 1.00 35.60 H new ATOM 0 HD23 LEU A 134 29.599 21.097 37.075 1.00 35.60 H new ATOM 1092 N ASP A 135 25.062 20.492 34.629 1.00 32.00 N ATOM 1093 CA ASP A 135 23.608 20.391 34.666 1.00 34.94 C ATOM 1094 C ASP A 135 23.185 18.958 34.978 1.00 33.65 C ATOM 1095 O ASP A 135 22.214 18.734 35.701 1.00 31.99 O ATOM 1096 CB ASP A 135 22.918 20.912 33.404 1.00 44.20 C ATOM 1097 CG ASP A 135 21.423 21.158 33.623 1.00 57.94 C ATOM 1098 OD1 ASP A 135 20.996 21.288 34.811 1.00 52.49 O ATOM 1099 OD2 ASP A 135 20.680 21.197 32.618 1.00 64.44 O ATOM 0 H ASP A 135 25.402 20.616 33.849 1.00 32.00 H new ATOM 0 HA ASP A 135 23.310 20.976 35.380 1.00 34.94 H new ATOM 0 HB2 ASP A 135 23.342 21.738 33.123 1.00 44.20 H new ATOM 0 HB3 ASP A 135 23.037 20.272 32.685 1.00 44.20 H new ATOM 1100 N GLU A 136 23.930 17.992 34.434 1.00 30.09 N ATOM 1101 CA GLU A 136 23.652 16.582 34.649 1.00 36.06 C ATOM 1102 C GLU A 136 23.718 16.254 36.143 1.00 32.12 C ATOM 1103 O GLU A 136 22.814 15.624 36.684 1.00 28.61 O ATOM 1104 CB GLU A 136 24.600 15.748 33.786 1.00 44.65 C ATOM 1105 CG GLU A 136 24.715 14.293 34.194 1.00 49.51 C ATOM 1106 CD GLU A 136 25.701 13.543 33.306 1.00 62.40 C ATOM 1107 OE1 GLU A 136 25.407 13.399 32.096 1.00 57.31 O ATOM 1108 OE2 GLU A 136 26.792 13.172 33.805 1.00 60.40 O ATOM 0 H GLU A 136 24.610 18.143 33.930 1.00 30.09 H new ATOM 0 HA GLU A 136 22.750 16.359 34.371 1.00 36.06 H new ATOM 0 HB2 GLU A 136 24.300 15.790 32.865 1.00 44.65 H new ATOM 0 HB3 GLU A 136 25.482 16.150 33.815 1.00 44.65 H new ATOM 0 HG2 GLU A 136 25.002 14.236 35.119 1.00 49.51 H new ATOM 0 HG3 GLU A 136 23.843 13.871 34.141 1.00 49.51 H new ATOM 1109 N GLU A 137 24.760 16.735 36.827 1.00 27.30 N ATOM 1110 CA GLU A 137 24.879 16.509 38.256 1.00 27.48 C ATOM 1111 C GLU A 137 23.727 17.186 38.993 1.00 25.70 C ATOM 1112 O GLU A 137 23.225 16.660 39.980 1.00 24.24 O ATOM 1113 CB GLU A 137 26.186 17.113 38.783 1.00 30.33 C ATOM 1114 CG GLU A 137 27.388 16.224 38.529 1.00 37.12 C ATOM 1115 CD GLU A 137 27.178 14.772 38.930 1.00 34.41 C ATOM 1116 OE1 GLU A 137 27.433 13.887 38.085 1.00 37.79 O ATOM 1117 OE2 GLU A 137 26.760 14.539 40.083 1.00 33.32 O ATOM 0 H GLU A 137 25.401 17.191 36.479 1.00 27.30 H new ATOM 0 HA GLU A 137 24.864 15.551 38.408 1.00 27.48 H new ATOM 0 HB2 GLU A 137 26.332 17.975 38.363 1.00 30.33 H new ATOM 0 HB3 GLU A 137 26.103 17.273 39.736 1.00 30.33 H new ATOM 0 HG2 GLU A 137 27.612 16.260 37.586 1.00 37.12 H new ATOM 0 HG3 GLU A 137 28.149 16.578 39.016 1.00 37.12 H new ATOM 1118 N VAL A 138 23.416 18.428 38.624 1.00 22.16 N ATOM 1119 CA VAL A 138 22.331 19.088 39.353 1.00 25.69 C ATOM 1120 C VAL A 138 21.019 18.297 39.224 1.00 22.70 C ATOM 1121 O VAL A 138 20.307 18.076 40.215 1.00 25.11 O ATOM 1122 CB VAL A 138 22.221 20.577 38.961 1.00 24.87 C ATOM 1123 CG1 VAL A 138 20.864 21.210 39.299 1.00 24.92 C ATOM 1124 CG2 VAL A 138 23.363 21.381 39.580 1.00 27.67 C ATOM 0 H VAL A 138 23.791 18.882 37.997 1.00 22.16 H new ATOM 0 HA VAL A 138 22.539 19.089 40.300 1.00 25.69 H new ATOM 0 HB VAL A 138 22.293 20.606 37.994 1.00 24.87 H new ATOM 0 HG11 VAL A 138 20.864 22.141 39.027 1.00 24.92 H new ATOM 0 HG12 VAL A 138 20.160 20.737 38.829 1.00 24.92 H new ATOM 0 HG13 VAL A 138 20.709 21.153 40.255 1.00 24.92 H new ATOM 0 HG21 VAL A 138 23.279 22.313 39.324 1.00 27.67 H new ATOM 0 HG22 VAL A 138 23.325 21.307 40.546 1.00 27.67 H new ATOM 0 HG23 VAL A 138 24.212 21.035 39.263 1.00 27.67 H new ATOM 1125 N LYS A 139 20.693 17.852 38.008 1.00 28.74 N ATOM 1126 CA LYS A 139 19.436 17.140 37.778 1.00 28.10 C ATOM 1127 C LYS A 139 19.403 15.828 38.560 1.00 25.58 C ATOM 1128 O LYS A 139 18.365 15.467 39.119 1.00 24.91 O ATOM 1129 CB LYS A 139 19.239 16.817 36.297 1.00 30.36 C ATOM 1130 CG LYS A 139 18.647 17.935 35.458 1.00 40.36 C ATOM 1131 CD LYS A 139 18.667 17.634 33.962 1.00 52.19 C ATOM 1132 CE LYS A 139 19.999 17.963 33.316 1.00 62.97 C ATOM 1133 NZ LYS A 139 19.955 17.894 31.836 1.00 70.65 N ATOM 0 H LYS A 139 21.183 17.952 37.308 1.00 28.74 H new ATOM 0 HA LYS A 139 18.724 17.726 38.079 1.00 28.10 H new ATOM 0 HB2 LYS A 139 20.097 16.570 35.919 1.00 30.36 H new ATOM 0 HB3 LYS A 139 18.663 16.040 36.225 1.00 30.36 H new ATOM 0 HG2 LYS A 139 17.732 18.093 35.739 1.00 40.36 H new ATOM 0 HG3 LYS A 139 19.140 18.753 35.625 1.00 40.36 H new ATOM 0 HD2 LYS A 139 18.467 16.695 33.822 1.00 52.19 H new ATOM 0 HD3 LYS A 139 17.966 18.141 33.524 1.00 52.19 H new ATOM 0 HE2 LYS A 139 20.273 18.854 33.586 1.00 62.97 H new ATOM 0 HE3 LYS A 139 20.673 17.347 33.644 1.00 62.97 H new ATOM 0 HZ1 LYS A 139 20.757 18.094 31.505 1.00 70.65 H new ATOM 0 HZ2 LYS A 139 19.727 17.071 31.584 1.00 70.65 H new ATOM 0 HZ3 LYS A 139 19.354 18.475 31.529 1.00 70.65 H new ATOM 1134 N LEU A 140 20.542 15.127 38.588 1.00 25.83 N ATOM 1135 CA LEU A 140 20.651 13.846 39.255 1.00 25.17 C ATOM 1136 C LEU A 140 20.485 14.025 40.760 1.00 24.05 C ATOM 1137 O LEU A 140 19.819 13.231 41.421 1.00 25.25 O ATOM 1138 CB LEU A 140 21.989 13.184 38.910 1.00 26.09 C ATOM 1139 CG LEU A 140 22.226 11.824 39.577 1.00 29.21 C ATOM 1140 CD1 LEU A 140 21.071 10.861 39.297 1.00 28.68 C ATOM 1141 CD2 LEU A 140 23.542 11.216 39.112 1.00 31.99 C ATOM 0 H LEU A 140 21.271 15.391 38.216 1.00 25.83 H new ATOM 0 HA LEU A 140 19.943 13.260 38.945 1.00 25.17 H new ATOM 0 HB2 LEU A 140 22.041 13.071 37.948 1.00 26.09 H new ATOM 0 HB3 LEU A 140 22.707 13.784 39.165 1.00 26.09 H new ATOM 0 HG LEU A 140 22.273 11.971 40.535 1.00 29.21 H new ATOM 0 HD11 LEU A 140 21.246 10.011 39.729 1.00 28.68 H new ATOM 0 HD12 LEU A 140 20.246 11.235 39.643 1.00 28.68 H new ATOM 0 HD13 LEU A 140 20.987 10.725 38.340 1.00 28.68 H new ATOM 0 HD21 LEU A 140 23.673 10.358 39.545 1.00 31.99 H new ATOM 0 HD22 LEU A 140 23.520 11.093 38.150 1.00 31.99 H new ATOM 0 HD23 LEU A 140 24.273 11.810 39.345 1.00 31.99 H new ATOM 1142 N ILE A 141 21.113 15.062 41.306 1.00 21.70 N ATOM 1143 CA ILE A 141 21.072 15.259 42.744 1.00 22.36 C ATOM 1144 C ILE A 141 19.640 15.605 43.176 1.00 21.79 C ATOM 1145 O ILE A 141 19.176 15.157 44.233 1.00 23.17 O ATOM 1146 CB ILE A 141 22.124 16.297 43.193 1.00 21.84 C ATOM 1147 CG1 ILE A 141 23.534 15.741 42.966 1.00 24.62 C ATOM 1148 CG2 ILE A 141 21.931 16.676 44.663 1.00 23.91 C ATOM 1149 CD1 ILE A 141 24.667 16.753 43.128 1.00 22.72 C ATOM 0 H ILE A 141 21.560 15.652 40.868 1.00 21.70 H new ATOM 0 HA ILE A 141 21.314 14.436 43.196 1.00 22.36 H new ATOM 0 HB ILE A 141 22.009 17.100 42.661 1.00 21.84 H new ATOM 0 HG12 ILE A 141 23.682 15.010 43.586 1.00 24.62 H new ATOM 0 HG13 ILE A 141 23.579 15.368 42.072 1.00 24.62 H new ATOM 0 HG21 ILE A 141 22.602 17.327 44.920 1.00 23.91 H new ATOM 0 HG22 ILE A 141 21.047 17.057 44.786 1.00 23.91 H new ATOM 0 HG23 ILE A 141 22.021 15.884 45.216 1.00 23.91 H new ATOM 0 HD11 ILE A 141 25.518 16.315 42.967 1.00 22.72 H new ATOM 0 HD12 ILE A 141 24.550 17.475 42.491 1.00 22.72 H new ATOM 0 HD13 ILE A 141 24.654 17.112 44.029 1.00 22.72 H new ATOM 1150 N LYS A 142 18.939 16.370 42.343 1.00 21.45 N ATOM 1151 CA LYS A 142 17.552 16.744 42.623 1.00 23.03 C ATOM 1152 C LYS A 142 16.668 15.501 42.634 1.00 19.80 C ATOM 1153 O LYS A 142 15.833 15.345 43.510 1.00 20.50 O ATOM 1154 CB LYS A 142 17.016 17.717 41.569 1.00 23.65 C ATOM 1155 CG LYS A 142 15.517 18.044 41.625 1.00 22.84 C ATOM 1156 CD LYS A 142 15.067 18.766 42.889 1.00 24.34 C ATOM 1157 CE LYS A 142 13.668 19.347 42.756 1.00 26.62 C ATOM 1158 NZ LYS A 142 12.599 18.317 42.663 1.00 23.60 N ATOM 0 H LYS A 142 19.249 16.685 41.605 1.00 21.45 H new ATOM 0 HA LYS A 142 17.534 17.177 43.491 1.00 23.03 H new ATOM 0 HB2 LYS A 142 17.510 18.548 41.647 1.00 23.65 H new ATOM 0 HB3 LYS A 142 17.213 17.351 40.692 1.00 23.65 H new ATOM 0 HG2 LYS A 142 15.289 18.591 40.857 1.00 22.84 H new ATOM 0 HG3 LYS A 142 15.015 17.218 41.544 1.00 22.84 H new ATOM 0 HD2 LYS A 142 15.089 18.148 43.637 1.00 24.34 H new ATOM 0 HD3 LYS A 142 15.693 19.479 43.092 1.00 24.34 H new ATOM 0 HE2 LYS A 142 13.490 19.918 43.519 1.00 26.62 H new ATOM 0 HE3 LYS A 142 13.634 19.909 41.966 1.00 26.62 H new ATOM 0 HZ1 LYS A 142 11.808 18.694 42.820 1.00 23.60 H new ATOM 0 HZ2 LYS A 142 12.600 17.960 41.848 1.00 23.60 H new ATOM 0 HZ3 LYS A 142 12.748 17.679 43.266 1.00 23.60 H new ATOM 1159 N LYS A 143 16.880 14.619 41.663 1.00 22.95 N ATOM 1160 CA LYS A 143 16.117 13.387 41.549 1.00 24.56 C ATOM 1161 C LYS A 143 16.387 12.510 42.767 1.00 22.77 C ATOM 1162 O LYS A 143 15.474 11.923 43.337 1.00 22.84 O ATOM 1163 CB LYS A 143 16.526 12.656 40.264 1.00 30.53 C ATOM 1164 CG LYS A 143 15.965 11.248 40.124 1.00 35.62 C ATOM 1165 CD LYS A 143 16.259 10.622 38.776 1.00 51.04 C ATOM 1166 CE LYS A 143 15.157 10.904 37.773 1.00 62.13 C ATOM 1167 NZ LYS A 143 13.866 11.192 38.447 1.00 65.41 N ATOM 0 H LYS A 143 17.474 14.721 41.050 1.00 22.95 H new ATOM 0 HA LYS A 143 15.169 13.587 41.510 1.00 24.56 H new ATOM 0 HB2 LYS A 143 16.238 13.182 39.502 1.00 30.53 H new ATOM 0 HB3 LYS A 143 17.494 12.610 40.227 1.00 30.53 H new ATOM 0 HG2 LYS A 143 16.336 10.687 40.823 1.00 35.62 H new ATOM 0 HG3 LYS A 143 15.005 11.273 40.260 1.00 35.62 H new ATOM 0 HD2 LYS A 143 17.101 10.964 38.437 1.00 51.04 H new ATOM 0 HD3 LYS A 143 16.364 9.663 38.880 1.00 51.04 H new ATOM 0 HE2 LYS A 143 15.409 11.659 37.218 1.00 62.13 H new ATOM 0 HE3 LYS A 143 15.052 10.141 37.183 1.00 62.13 H new ATOM 0 HZ1 LYS A 143 13.215 11.224 37.841 1.00 65.41 H new ATOM 0 HZ2 LYS A 143 13.690 10.550 39.038 1.00 65.41 H new ATOM 0 HZ3 LYS A 143 13.918 11.975 38.867 1.00 65.41 H new ATOM 1168 N MET A 144 17.651 12.444 43.196 1.00 23.61 N ATOM 1169 CA MET A 144 17.978 11.646 44.363 1.00 20.65 C ATOM 1170 C MET A 144 17.385 12.274 45.619 1.00 23.87 C ATOM 1171 O MET A 144 16.995 11.559 46.533 1.00 22.66 O ATOM 1172 CB MET A 144 19.494 11.517 44.562 1.00 22.94 C ATOM 1173 CG MET A 144 20.125 10.584 43.563 1.00 22.97 C ATOM 1174 SD MET A 144 21.918 10.580 43.869 1.00 30.55 S ATOM 1175 CE MET A 144 22.380 9.382 42.624 1.00 24.94 C ATOM 0 H MET A 144 18.316 12.847 42.829 1.00 23.61 H new ATOM 0 HA MET A 144 17.603 10.764 44.213 1.00 20.65 H new ATOM 0 HB2 MET A 144 19.904 12.393 44.487 1.00 22.94 H new ATOM 0 HB3 MET A 144 19.674 11.196 45.459 1.00 22.94 H new ATOM 0 HG2 MET A 144 19.762 9.689 43.656 1.00 22.97 H new ATOM 0 HG3 MET A 144 19.935 10.875 42.658 1.00 22.97 H new ATOM 0 HE1 MET A 144 23.230 8.979 42.862 1.00 24.94 H new ATOM 0 HE2 MET A 144 21.700 8.693 42.570 1.00 24.94 H new ATOM 0 HE3 MET A 144 22.462 9.824 41.764 1.00 24.94 H new ATOM 1176 N GLY A 145 17.398 13.608 45.713 1.00 21.38 N ATOM 1177 CA GLY A 145 16.772 14.242 46.858 1.00 18.44 C ATOM 1178 C GLY A 145 15.266 13.938 46.875 1.00 18.40 C ATOM 1179 O GLY A 145 14.699 13.666 47.929 1.00 18.43 O ATOM 0 H GLY A 145 17.754 14.142 45.141 1.00 21.38 H new ATOM 0 HA2 GLY A 145 17.182 13.923 47.677 1.00 18.44 H new ATOM 0 HA3 GLY A 145 16.915 15.201 46.824 1.00 18.44 H new ATOM 1180 N ASP A 146 14.648 13.933 45.691 1.00 20.87 N ATOM 1181 CA ASP A 146 13.243 13.589 45.540 1.00 22.50 C ATOM 1182 C ASP A 146 12.977 12.184 46.091 1.00 24.16 C ATOM 1183 O ASP A 146 12.004 11.976 46.820 1.00 20.83 O ATOM 1184 CB ASP A 146 12.813 13.687 44.069 1.00 22.62 C ATOM 1185 CG ASP A 146 12.640 15.109 43.566 1.00 25.02 C ATOM 1186 OD1 ASP A 146 12.765 16.060 44.373 1.00 25.31 O ATOM 1187 OD2 ASP A 146 12.416 15.260 42.358 1.00 25.85 O ATOM 0 H ASP A 146 15.040 14.131 44.952 1.00 20.87 H new ATOM 0 HA ASP A 146 12.715 14.224 46.049 1.00 22.50 H new ATOM 0 HB2 ASP A 146 13.473 13.238 43.519 1.00 22.62 H new ATOM 0 HB3 ASP A 146 11.976 13.210 43.954 1.00 22.62 H new ATOM 1188 N HIS A 147 13.779 11.204 45.637 1.00 21.79 N ATOM 1189 CA HIS A 147 13.642 9.817 46.066 1.00 24.86 C ATOM 1190 C HIS A 147 13.808 9.715 47.578 1.00 24.99 C ATOM 1191 O HIS A 147 13.024 9.044 48.244 1.00 22.40 O ATOM 1192 CB HIS A 147 14.676 8.917 45.370 1.00 22.94 C ATOM 1193 CG HIS A 147 14.403 8.744 43.910 1.00 23.94 C ATOM 1194 ND1 HIS A 147 13.179 9.043 43.356 1.00 22.71 N ATOM 1195 CD2 HIS A 147 15.160 8.261 42.910 1.00 24.77 C ATOM 1196 CE1 HIS A 147 13.189 8.762 42.077 1.00 24.80 C ATOM 1197 NE2 HIS A 147 14.404 8.282 41.769 1.00 25.99 N ATOM 0 H HIS A 147 14.414 11.334 45.072 1.00 21.79 H new ATOM 0 HA HIS A 147 12.755 9.514 45.818 1.00 24.86 H new ATOM 0 HB2 HIS A 147 15.561 9.297 45.487 1.00 22.94 H new ATOM 0 HB3 HIS A 147 14.683 8.047 45.799 1.00 22.94 H new ATOM 0 HD1 HIS A 147 12.508 9.366 43.786 1.00 22.71 H new ATOM 0 HD2 HIS A 147 16.039 7.966 42.981 1.00 24.77 H new ATOM 0 HE1 HIS A 147 12.480 8.875 41.486 1.00 24.80 H new ATOM 1198 N LEU A 148 14.828 10.391 48.120 1.00 23.92 N ATOM 1199 CA LEU A 148 15.079 10.267 49.549 1.00 25.53 C ATOM 1200 C LEU A 148 13.855 10.737 50.327 1.00 24.03 C ATOM 1201 O LEU A 148 13.514 10.176 51.368 1.00 24.51 O ATOM 1202 CB ALEU A 148 16.325 11.084 49.901 0.50 24.41 C ATOM 1203 CB BLEU A 148 16.292 11.107 49.969 0.50 25.30 C ATOM 1204 CG ALEU A 148 16.789 10.962 51.347 0.50 21.58 C ATOM 1205 CG BLEU A 148 17.676 10.466 49.881 0.50 24.05 C ATOM 1206 CD1ALEU A 148 16.963 9.495 51.713 0.50 23.92 C ATOM 1207 CD1BLEU A 148 18.747 11.518 50.131 0.50 24.13 C ATOM 1208 CD2ALEU A 148 18.094 11.716 51.571 0.50 21.07 C ATOM 1209 CD2BLEU A 148 17.834 9.330 50.877 0.50 23.52 C ATOM 0 H LEU A 148 15.366 10.907 47.691 1.00 23.92 H new ATOM 0 HA LEU A 148 15.240 9.341 49.790 1.00 25.53 H new ATOM 0 HB2ALEU A 148 17.050 10.809 49.319 0.50 25.30 H new ATOM 0 HB2BLEU A 148 16.301 11.909 49.423 0.50 25.30 H new ATOM 0 HB3ALEU A 148 16.147 12.018 49.711 0.50 25.30 H new ATOM 0 HB3BLEU A 148 16.154 11.390 50.886 0.50 25.30 H new ATOM 0 HG ALEU A 148 16.112 11.357 51.918 0.50 24.05 H new ATOM 0 HG BLEU A 148 17.776 10.097 48.989 0.50 24.05 H new ATOM 0 HD11ALEU A 148 17.258 9.424 52.634 0.50 24.13 H new ATOM 0 HD11BLEU A 148 19.624 11.107 50.074 0.50 24.13 H new ATOM 0 HD12ALEU A 148 16.117 9.033 51.609 0.50 24.13 H new ATOM 0 HD12BLEU A 148 18.675 12.218 49.464 0.50 24.13 H new ATOM 0 HD13ALEU A 148 17.625 9.092 51.130 0.50 24.13 H new ATOM 0 HD13BLEU A 148 18.626 11.900 51.014 0.50 24.13 H new ATOM 0 HD21ALEU A 148 18.367 11.623 52.497 0.50 23.52 H new ATOM 0 HD21BLEU A 148 18.721 8.947 50.794 0.50 23.52 H new ATOM 0 HD22ALEU A 148 18.782 11.351 50.993 0.50 23.52 H new ATOM 0 HD22BLEU A 148 17.712 9.670 51.777 0.50 23.52 H new ATOM 0 HD23ALEU A 148 17.965 12.655 51.366 0.50 23.52 H new ATOM 0 HD23BLEU A 148 17.170 8.647 50.697 0.50 23.52 H new ATOM 1210 N THR A 149 13.261 11.835 49.868 1.00 22.66 N ATOM 1211 CA THR A 149 12.108 12.407 50.552 1.00 23.39 C ATOM 1212 C THR A 149 10.979 11.378 50.576 1.00 21.10 C ATOM 1213 O THR A 149 10.360 11.143 51.613 1.00 23.04 O ATOM 1214 CB THR A 149 11.732 13.762 49.921 1.00 24.69 C ATOM 1215 OG1 THR A 149 12.761 14.664 50.337 1.00 22.25 O ATOM 1216 CG2 THR A 149 10.370 14.280 50.329 1.00 20.03 C ATOM 0 H THR A 149 13.510 12.262 49.164 1.00 22.66 H new ATOM 0 HA THR A 149 12.314 12.608 51.478 1.00 23.39 H new ATOM 0 HB THR A 149 11.669 13.669 48.958 1.00 24.69 H new ATOM 0 HG1 THR A 149 12.610 15.427 50.020 1.00 22.25 H new ATOM 0 HG21 THR A 149 10.204 15.131 49.895 1.00 20.03 H new ATOM 0 HG22 THR A 149 9.688 13.643 50.062 1.00 20.03 H new ATOM 0 HG23 THR A 149 10.343 14.398 51.291 1.00 20.03 H new ATOM 1217 N ASN A 150 10.782 10.700 49.446 1.00 21.30 N ATOM 1218 CA ASN A 150 9.673 9.767 49.317 1.00 19.67 C ATOM 1219 C ASN A 150 9.940 8.503 50.123 1.00 22.63 C ATOM 1220 O ASN A 150 9.069 8.025 50.837 1.00 22.06 O ATOM 1221 CB ASN A 150 9.458 9.428 47.846 1.00 18.34 C ATOM 1222 CG ASN A 150 8.500 10.426 47.246 1.00 19.47 C ATOM 1223 OD1 ASN A 150 7.302 10.387 47.540 1.00 19.74 O ATOM 1224 ND2 ASN A 150 9.040 11.392 46.511 1.00 20.85 N ATOM 0 H ASN A 150 11.279 10.768 48.747 1.00 21.30 H new ATOM 0 HA ASN A 150 8.869 10.182 49.667 1.00 19.67 H new ATOM 0 HB2 ASN A 150 10.303 9.448 47.371 1.00 18.34 H new ATOM 0 HB3 ASN A 150 9.104 8.529 47.758 1.00 18.34 H new ATOM 0 HD21 ASN A 150 8.549 12.033 46.215 1.00 20.85 H new ATOM 0 HD22 ASN A 150 9.881 11.377 46.332 1.00 20.85 H new ATOM 1225 N ILE A 151 11.193 8.029 50.101 1.00 23.03 N ATOM 1226 CA ILE A 151 11.577 6.905 50.937 1.00 21.44 C ATOM 1227 C ILE A 151 11.305 7.253 52.392 1.00 22.77 C ATOM 1228 O ILE A 151 10.760 6.443 53.148 1.00 24.26 O ATOM 1229 CB ILE A 151 13.062 6.526 50.705 1.00 24.36 C ATOM 1230 CG1 ILE A 151 13.283 5.935 49.310 1.00 24.45 C ATOM 1231 CG2 ILE A 151 13.544 5.597 51.811 1.00 22.73 C ATOM 1232 CD1 ILE A 151 14.736 5.872 48.866 1.00 28.44 C ATOM 0 H ILE A 151 11.824 8.347 49.611 1.00 23.03 H new ATOM 0 HA ILE A 151 11.049 6.127 50.699 1.00 21.44 H new ATOM 0 HB ILE A 151 13.597 7.334 50.743 1.00 24.36 H new ATOM 0 HG12 ILE A 151 12.913 5.039 49.290 1.00 24.45 H new ATOM 0 HG13 ILE A 151 12.784 6.462 48.667 1.00 24.45 H new ATOM 0 HG21 ILE A 151 14.473 5.366 51.657 1.00 22.73 H new ATOM 0 HG22 ILE A 151 13.460 6.043 52.668 1.00 22.73 H new ATOM 0 HG23 ILE A 151 13.006 4.790 51.813 1.00 22.73 H new ATOM 0 HD11 ILE A 151 14.787 5.487 47.977 1.00 28.44 H new ATOM 0 HD12 ILE A 151 15.109 6.767 48.852 1.00 28.44 H new ATOM 0 HD13 ILE A 151 15.240 5.321 49.485 1.00 28.44 H new ATOM 1233 N GLN A 152 11.715 8.456 52.807 1.00 25.00 N ATOM 1234 CA GLN A 152 11.579 8.815 54.209 1.00 25.00 C ATOM 1235 C GLN A 152 10.105 8.882 54.617 1.00 27.19 C ATOM 1236 O GLN A 152 9.786 8.477 55.728 1.00 26.14 O ATOM 1237 CB GLN A 152 12.304 10.117 54.515 1.00 26.01 C ATOM 1238 CG GLN A 152 13.806 9.953 54.421 1.00 29.65 C ATOM 1239 CD GLN A 152 14.582 11.244 54.510 1.00 40.90 C ATOM 1240 OE1 GLN A 152 14.177 12.278 53.975 1.00 42.33 O ATOM 1241 NE2 GLN A 152 15.745 11.168 55.141 1.00 44.30 N ATOM 0 H GLN A 152 12.064 9.059 52.304 1.00 25.00 H new ATOM 0 HA GLN A 152 11.998 8.119 54.739 1.00 25.00 H new ATOM 0 HB2 GLN A 152 12.013 10.804 53.895 1.00 26.01 H new ATOM 0 HB3 GLN A 152 12.066 10.420 55.405 1.00 26.01 H new ATOM 0 HG2 GLN A 152 14.101 9.362 55.131 1.00 29.65 H new ATOM 0 HG3 GLN A 152 14.021 9.517 53.582 1.00 29.65 H new ATOM 0 HE21 GLN A 152 15.991 10.427 55.501 1.00 44.30 H new ATOM 0 HE22 GLN A 152 16.254 11.860 55.190 1.00 44.30 H new ATOM 1242 N ARG A 153 9.219 9.403 53.757 1.00 25.88 N ATOM 1243 CA ARG A 153 7.810 9.479 54.159 1.00 29.95 C ATOM 1244 C ARG A 153 7.188 8.085 54.250 1.00 28.71 C ATOM 1245 O ARG A 153 6.138 7.922 54.851 1.00 26.61 O ATOM 1246 CB ARG A 153 6.929 10.376 53.265 1.00 27.53 C ATOM 1247 CG ARG A 153 6.655 9.842 51.864 1.00 34.45 C ATOM 1248 CD ARG A 153 5.639 10.598 51.010 1.00 28.18 C ATOM 1249 NE ARG A 153 5.673 12.039 51.272 1.00 25.96 N ATOM 1250 CZ ARG A 153 6.242 12.953 50.499 1.00 23.76 C ATOM 1251 NH1 ARG A 153 6.851 12.611 49.370 1.00 26.91 N ATOM 1252 NH2 ARG A 153 6.209 14.222 50.862 1.00 24.91 N ATOM 0 H ARG A 153 9.402 9.704 52.973 1.00 25.88 H new ATOM 0 HA ARG A 153 7.829 9.899 55.033 1.00 29.95 H new ATOM 0 HB2 ARG A 153 6.080 10.516 53.712 1.00 27.53 H new ATOM 0 HB3 ARG A 153 7.355 11.244 53.186 1.00 27.53 H new ATOM 0 HG2 ARG A 153 7.496 9.821 51.381 1.00 34.45 H new ATOM 0 HG3 ARG A 153 6.353 8.924 51.947 1.00 34.45 H new ATOM 0 HD2 ARG A 153 5.821 10.436 50.071 1.00 28.18 H new ATOM 0 HD3 ARG A 153 4.749 10.258 51.189 1.00 28.18 H new ATOM 0 HE ARG A 153 5.290 12.316 51.990 1.00 25.96 H new ATOM 0 HH11 ARG A 153 6.881 11.786 49.130 1.00 26.91 H new ATOM 0 HH12 ARG A 153 7.216 13.215 48.878 1.00 26.91 H new ATOM 0 HH21 ARG A 153 5.821 14.450 51.595 1.00 24.91 H new ATOM 0 HH22 ARG A 153 6.576 14.821 50.366 1.00 24.91 H new ATOM 1253 N LEU A 154 7.805 7.090 53.607 1.00 27.06 N ATOM 1254 CA LEU A 154 7.226 5.760 53.560 1.00 28.22 C ATOM 1255 C LEU A 154 7.680 4.883 54.718 1.00 34.44 C ATOM 1256 O LEU A 154 7.122 3.809 54.937 1.00 35.22 O ATOM 1257 CB LEU A 154 7.646 5.105 52.250 1.00 23.31 C ATOM 1258 CG LEU A 154 6.764 5.455 51.060 1.00 21.34 C ATOM 1259 CD1 LEU A 154 7.488 5.114 49.758 1.00 19.14 C ATOM 1260 CD2 LEU A 154 5.410 4.723 51.163 1.00 23.13 C ATOM 0 H LEU A 154 8.556 7.171 53.196 1.00 27.06 H new ATOM 0 HA LEU A 154 6.262 5.849 53.626 1.00 28.22 H new ATOM 0 HB2 LEU A 154 8.559 5.365 52.049 1.00 23.31 H new ATOM 0 HB3 LEU A 154 7.644 4.142 52.368 1.00 23.31 H new ATOM 0 HG LEU A 154 6.584 6.408 51.063 1.00 21.34 H new ATOM 0 HD11 LEU A 154 6.921 5.339 49.004 1.00 19.14 H new ATOM 0 HD12 LEU A 154 8.313 5.621 49.704 1.00 19.14 H new ATOM 0 HD13 LEU A 154 7.690 4.165 49.738 1.00 19.14 H new ATOM 0 HD21 LEU A 154 4.858 4.954 50.400 1.00 23.13 H new ATOM 0 HD22 LEU A 154 5.560 3.765 51.175 1.00 23.13 H new ATOM 0 HD23 LEU A 154 4.959 4.989 51.980 1.00 23.13 H new ATOM 1261 N VAL A 155 8.808 5.207 55.328 1.00 36.30 N ATOM 1262 CA VAL A 155 9.391 4.092 56.042 1.00 47.39 C ATOM 1263 C VAL A 155 9.210 4.394 57.504 1.00 52.49 C ATOM 1264 O VAL A 155 10.176 4.755 58.176 1.00 55.36 O ATOM 1265 CB VAL A 155 10.844 3.746 55.658 1.00 63.82 C ATOM 1266 CG1 VAL A 155 10.945 3.073 54.277 1.00 45.70 C ATOM 1267 CG2 VAL A 155 11.804 4.920 55.857 1.00 44.53 C ATOM 0 H VAL A 155 9.211 5.967 55.346 1.00 36.30 H new ATOM 0 HA VAL A 155 8.933 3.275 55.791 1.00 47.39 H new ATOM 0 HB VAL A 155 11.146 3.072 56.287 1.00 63.82 H new ATOM 0 HG11 VAL A 155 11.874 2.875 54.080 1.00 45.70 H new ATOM 0 HG12 VAL A 155 10.433 2.249 54.280 1.00 45.70 H new ATOM 0 HG13 VAL A 155 10.592 3.670 53.599 1.00 45.70 H new ATOM 0 HG21 VAL A 155 12.701 4.652 55.602 1.00 44.53 H new ATOM 0 HG22 VAL A 155 11.521 5.666 55.306 1.00 44.53 H new ATOM 0 HG23 VAL A 155 11.800 5.187 56.789 1.00 44.53 H new ATOM 1268 N GLY A 156 7.949 4.189 57.917 1.00 43.91 N ATOM 1269 CA GLY A 156 7.281 4.932 58.968 1.00 56.85 C ATOM 1270 C GLY A 156 7.171 4.066 60.220 1.00 51.10 C ATOM 1271 O GLY A 156 8.120 3.971 60.983 1.00 58.51 O ATOM 0 H GLY A 156 7.447 3.583 57.569 1.00 43.91 H new ATOM 0 HA2 GLY A 156 7.775 5.743 59.167 1.00 56.85 H new ATOM 0 HA3 GLY A 156 6.398 5.203 58.673 1.00 56.85 H new ATOM 1272 N SER A 157 6.059 3.343 60.356 1.00 51.90 N ATOM 1273 CA SER A 157 5.971 2.295 61.362 1.00 60.01 C ATOM 1274 C SER A 157 6.175 0.924 60.718 1.00 62.50 C ATOM 1275 O SER A 157 6.457 -0.049 61.420 1.00 63.71 O ATOM 1276 CB SER A 157 4.666 2.369 62.126 1.00 61.35 C ATOM 1277 OG SER A 157 3.563 2.303 61.234 1.00 62.60 O ATOM 0 H SER A 157 5.351 3.445 59.878 1.00 51.90 H new ATOM 0 HA SER A 157 6.681 2.431 62.008 1.00 60.01 H new ATOM 0 HB2 SER A 157 4.617 1.640 62.764 1.00 61.35 H new ATOM 0 HB3 SER A 157 4.629 3.194 62.634 1.00 61.35 H new ATOM 0 HG SER A 157 2.847 2.344 61.671 1.00 62.60 H new ATOM 1278 N GLN A 158 6.054 0.872 59.380 1.00 55.41 N ATOM 1279 CA GLN A 158 6.175 -0.362 58.618 1.00 50.09 C ATOM 1280 C GLN A 158 7.231 -0.174 57.533 1.00 43.80 C ATOM 1281 O GLN A 158 6.894 0.191 56.393 1.00 35.25 O ATOM 1282 CB GLN A 158 4.844 -0.706 57.943 1.00 52.09 C ATOM 1283 CG GLN A 158 3.652 -0.787 58.884 1.00 70.25 C ATOM 1284 CD GLN A 158 2.469 -1.447 58.209 1.00 87.37 C ATOM 1285 OE1 GLN A 158 1.414 -0.836 58.015 1.00 79.04 O ATOM 1286 NE2 GLN A 158 2.646 -2.706 57.824 1.00 78.90 N ATOM 0 H GLN A 158 5.898 1.564 58.894 1.00 55.41 H new ATOM 0 HA GLN A 158 6.425 -1.079 59.222 1.00 50.09 H new ATOM 0 HB2 GLN A 158 4.659 -0.039 57.264 1.00 52.09 H new ATOM 0 HB3 GLN A 158 4.938 -1.557 57.487 1.00 52.09 H new ATOM 0 HG2 GLN A 158 3.896 -1.288 59.678 1.00 70.25 H new ATOM 0 HG3 GLN A 158 3.406 0.105 59.176 1.00 70.25 H new ATOM 0 HE21 GLN A 158 3.395 -3.101 57.976 1.00 78.90 H new ATOM 0 HE22 GLN A 158 2.012 -3.126 57.423 1.00 78.90 H new ATOM 1287 N ALA A 159 8.500 -0.417 57.902 1.00 35.49 N ATOM 1288 CA ALA A 159 9.636 -0.106 57.040 1.00 31.72 C ATOM 1289 C ALA A 159 9.669 -1.029 55.814 1.00 26.99 C ATOM 1290 O ALA A 159 9.869 -0.565 54.701 1.00 26.76 O ATOM 1291 CB ALA A 159 10.931 -0.163 57.820 1.00 34.05 C ATOM 0 H ALA A 159 8.718 -0.766 58.658 1.00 35.49 H new ATOM 0 HA ALA A 159 9.530 0.801 56.713 1.00 31.72 H new ATOM 0 HB1 ALA A 159 11.673 0.046 57.231 1.00 34.05 H new ATOM 0 HB2 ALA A 159 10.902 0.482 58.544 1.00 34.05 H new ATOM 0 HB3 ALA A 159 11.050 -1.054 58.186 1.00 34.05 H new ATOM 1292 N GLY A 160 9.490 -2.342 56.018 1.00 26.07 N ATOM 1293 CA GLY A 160 9.541 -3.277 54.905 1.00 26.54 C ATOM 1294 C GLY A 160 8.474 -2.950 53.860 1.00 26.85 C ATOM 1295 O GLY A 160 8.766 -2.917 52.665 1.00 24.65 O ATOM 0 H GLY A 160 9.340 -2.700 56.786 1.00 26.07 H new ATOM 0 HA2 GLY A 160 10.419 -3.248 54.494 1.00 26.54 H new ATOM 0 HA3 GLY A 160 9.411 -4.181 55.232 1.00 26.54 H new ATOM 1296 N LEU A 161 7.249 -2.685 54.335 1.00 23.20 N ATOM 1297 CA LEU A 161 6.138 -2.315 53.464 1.00 27.48 C ATOM 1298 C LEU A 161 6.521 -1.086 52.636 1.00 24.84 C ATOM 1299 O LEU A 161 6.375 -1.076 51.421 1.00 24.05 O ATOM 1300 CB LEU A 161 4.913 -2.034 54.342 1.00 27.71 C ATOM 1301 CG LEU A 161 3.690 -1.418 53.650 1.00 32.10 C ATOM 1302 CD1 LEU A 161 3.169 -2.326 52.550 1.00 29.81 C ATOM 1303 CD2 LEU A 161 2.581 -1.195 54.669 1.00 38.62 C ATOM 0 H LEU A 161 7.045 -2.716 55.170 1.00 23.20 H new ATOM 0 HA LEU A 161 5.929 -3.034 52.847 1.00 27.48 H new ATOM 0 HB2 LEU A 161 4.639 -2.868 54.754 1.00 27.71 H new ATOM 0 HB3 LEU A 161 5.185 -1.440 55.059 1.00 27.71 H new ATOM 0 HG LEU A 161 3.962 -0.573 53.258 1.00 32.10 H new ATOM 0 HD11 LEU A 161 2.398 -1.915 52.129 1.00 29.81 H new ATOM 0 HD12 LEU A 161 3.864 -2.463 51.887 1.00 29.81 H new ATOM 0 HD13 LEU A 161 2.912 -3.181 52.930 1.00 29.81 H new ATOM 0 HD21 LEU A 161 1.810 -0.806 54.228 1.00 38.62 H new ATOM 0 HD22 LEU A 161 2.331 -2.044 55.067 1.00 38.62 H new ATOM 0 HD23 LEU A 161 2.895 -0.593 55.362 1.00 38.62 H new ATOM 1304 N GLY A 162 7.044 -0.051 53.300 1.00 22.12 N ATOM 1305 CA GLY A 162 7.477 1.145 52.586 1.00 25.42 C ATOM 1306 C GLY A 162 8.570 0.904 51.539 1.00 22.41 C ATOM 1307 O GLY A 162 8.546 1.520 50.478 1.00 22.95 O ATOM 0 H GLY A 162 7.154 -0.024 54.152 1.00 22.12 H new ATOM 0 HA2 GLY A 162 6.708 1.542 52.148 1.00 25.42 H new ATOM 0 HA3 GLY A 162 7.801 1.793 53.231 1.00 25.42 H new ATOM 1308 N GLU A 163 9.570 0.073 51.859 1.00 23.44 N ATOM 1309 CA GLU A 163 10.675 -0.191 50.946 1.00 23.81 C ATOM 1310 C GLU A 163 10.172 -0.917 49.694 1.00 24.93 C ATOM 1311 O GLU A 163 10.590 -0.630 48.559 1.00 23.16 O ATOM 1312 CB GLU A 163 11.773 -0.972 51.688 1.00 27.06 C ATOM 1313 CG GLU A 163 13.027 -1.222 50.852 1.00 26.64 C ATOM 1314 CD GLU A 163 14.277 -1.518 51.682 1.00 29.92 C ATOM 1315 OE1 GLU A 163 14.122 -1.895 52.864 1.00 27.29 O ATOM 1316 OE2 GLU A 163 15.408 -1.354 51.163 1.00 29.48 O ATOM 0 H GLU A 163 9.621 -0.348 52.607 1.00 23.44 H new ATOM 0 HA GLU A 163 11.064 0.644 50.642 1.00 23.81 H new ATOM 0 HB2 GLU A 163 12.021 -0.483 52.488 1.00 27.06 H new ATOM 0 HB3 GLU A 163 11.412 -1.825 51.977 1.00 27.06 H new ATOM 0 HG2 GLU A 163 12.863 -1.968 50.254 1.00 26.64 H new ATOM 0 HG3 GLU A 163 13.195 -0.445 50.297 1.00 26.64 H new ATOM 1317 N TYR A 164 9.285 -1.894 49.905 1.00 23.79 N ATOM 1318 CA TYR A 164 8.659 -2.600 48.795 1.00 23.21 C ATOM 1319 C TYR A 164 7.858 -1.641 47.911 1.00 22.11 C ATOM 1320 O TYR A 164 7.997 -1.675 46.690 1.00 22.69 O ATOM 1321 CB TYR A 164 7.717 -3.691 49.315 1.00 20.04 C ATOM 1322 CG TYR A 164 6.933 -4.407 48.229 1.00 21.97 C ATOM 1323 CD1 TYR A 164 7.546 -5.364 47.425 1.00 21.54 C ATOM 1324 CD2 TYR A 164 5.577 -4.168 48.020 1.00 22.29 C ATOM 1325 CE1 TYR A 164 6.855 -6.048 46.434 1.00 19.24 C ATOM 1326 CE2 TYR A 164 4.869 -4.863 47.035 1.00 20.17 C ATOM 1327 CZ TYR A 164 5.499 -5.831 46.266 1.00 20.03 C ATOM 1328 OH TYR A 164 4.842 -6.531 45.278 1.00 20.95 O ATOM 0 H TYR A 164 9.036 -2.159 50.684 1.00 23.79 H new ATOM 0 HA TYR A 164 9.369 -3.000 48.270 1.00 23.21 H new ATOM 0 HB2 TYR A 164 8.237 -4.344 49.809 1.00 20.04 H new ATOM 0 HB3 TYR A 164 7.093 -3.293 49.942 1.00 20.04 H new ATOM 0 HD1 TYR A 164 8.448 -5.551 47.556 1.00 21.54 H new ATOM 0 HD2 TYR A 164 5.136 -3.537 48.543 1.00 22.29 H new ATOM 0 HE1 TYR A 164 7.302 -6.650 45.885 1.00 19.24 H new ATOM 0 HE2 TYR A 164 3.969 -4.675 46.894 1.00 20.17 H new ATOM 0 HH TYR A 164 4.030 -6.316 45.275 1.00 20.95 H new ATOM 1329 N LEU A 165 7.018 -0.787 48.524 1.00 21.50 N ATOM 1330 CA LEU A 165 6.145 0.070 47.726 1.00 22.84 C ATOM 1331 C LEU A 165 6.953 1.085 46.915 1.00 22.46 C ATOM 1332 O LEU A 165 6.641 1.363 45.757 1.00 20.46 O ATOM 1333 CB LEU A 165 5.149 0.761 48.658 1.00 21.55 C ATOM 1334 CG LEU A 165 3.992 -0.121 49.132 1.00 22.14 C ATOM 1335 CD1 LEU A 165 3.172 0.607 50.201 1.00 24.15 C ATOM 1336 CD2 LEU A 165 3.094 -0.570 47.979 1.00 20.58 C ATOM 0 H LEU A 165 6.944 -0.695 49.376 1.00 21.50 H new ATOM 0 HA LEU A 165 5.659 -0.472 47.085 1.00 22.84 H new ATOM 0 HB2 LEU A 165 5.628 1.090 49.435 1.00 21.55 H new ATOM 0 HB3 LEU A 165 4.783 1.535 48.202 1.00 21.55 H new ATOM 0 HG LEU A 165 4.379 -0.922 49.519 1.00 22.14 H new ATOM 0 HD11 LEU A 165 2.443 0.038 50.493 1.00 24.15 H new ATOM 0 HD12 LEU A 165 3.741 0.817 50.958 1.00 24.15 H new ATOM 0 HD13 LEU A 165 2.813 1.428 49.830 1.00 24.15 H new ATOM 0 HD21 LEU A 165 2.377 -1.125 48.324 1.00 20.58 H new ATOM 0 HD22 LEU A 165 2.717 0.209 47.540 1.00 20.58 H new ATOM 0 HD23 LEU A 165 3.617 -1.079 47.340 1.00 20.58 H new ATOM 1337 N PHE A 166 8.006 1.643 47.522 1.00 22.96 N ATOM 1338 CA PHE A 166 8.834 2.589 46.782 1.00 24.41 C ATOM 1339 C PHE A 166 9.448 1.943 45.529 1.00 22.62 C ATOM 1340 O PHE A 166 9.429 2.513 44.427 1.00 23.44 O ATOM 1341 CB PHE A 166 9.910 3.171 47.698 1.00 23.46 C ATOM 1342 CG PHE A 166 10.738 4.220 47.003 1.00 25.47 C ATOM 1343 CD1 PHE A 166 10.221 5.488 46.765 1.00 24.20 C ATOM 1344 CD2 PHE A 166 12.015 3.921 46.553 1.00 25.54 C ATOM 1345 CE1 PHE A 166 10.973 6.438 46.086 1.00 24.48 C ATOM 1346 CE2 PHE A 166 12.760 4.865 45.862 1.00 25.68 C ATOM 1347 CZ PHE A 166 12.229 6.114 45.617 1.00 23.65 C ATOM 0 H PHE A 166 8.249 1.492 48.333 1.00 22.96 H new ATOM 0 HA PHE A 166 8.269 3.315 46.474 1.00 24.41 H new ATOM 0 HB2 PHE A 166 9.491 3.559 48.482 1.00 23.46 H new ATOM 0 HB3 PHE A 166 10.489 2.458 48.009 1.00 23.46 H new ATOM 0 HD1 PHE A 166 9.366 5.702 47.062 1.00 24.20 H new ATOM 0 HD2 PHE A 166 12.375 3.079 46.716 1.00 25.54 H new ATOM 0 HE1 PHE A 166 10.630 7.291 45.948 1.00 24.48 H new ATOM 0 HE2 PHE A 166 13.616 4.656 45.564 1.00 25.68 H new ATOM 0 HZ PHE A 166 12.719 6.740 45.134 1.00 23.65 H new ATOM 1348 N GLU A 167 10.012 0.744 45.710 1.00 20.81 N ATOM 1349 CA GLU A 167 10.661 0.039 44.616 1.00 21.02 C ATOM 1350 C GLU A 167 9.643 -0.273 43.522 1.00 22.77 C ATOM 1351 O GLU A 167 9.966 -0.202 42.322 1.00 22.34 O ATOM 1352 CB GLU A 167 11.381 -1.204 45.149 1.00 21.34 C ATOM 1353 CG GLU A 167 12.076 -2.030 44.067 1.00 22.51 C ATOM 1354 CD GLU A 167 11.164 -3.077 43.433 1.00 25.52 C ATOM 1355 OE1 GLU A 167 10.177 -3.480 44.110 1.00 23.13 O ATOM 1356 OE2 GLU A 167 11.438 -3.494 42.277 1.00 22.40 O ATOM 0 H GLU A 167 10.026 0.327 46.462 1.00 20.81 H new ATOM 0 HA GLU A 167 11.341 0.600 44.211 1.00 21.02 H new ATOM 0 HB2 GLU A 167 12.039 -0.929 45.806 1.00 21.34 H new ATOM 0 HB3 GLU A 167 10.739 -1.766 45.610 1.00 21.34 H new ATOM 0 HG2 GLU A 167 12.406 -1.435 43.375 1.00 22.51 H new ATOM 0 HG3 GLU A 167 12.848 -2.473 44.452 1.00 22.51 H new ATOM 1357 N ARG A 168 8.422 -0.638 43.942 1.00 21.84 N ATOM 1358 CA ARG A 168 7.396 -1.093 43.013 1.00 23.84 C ATOM 1359 C ARG A 168 6.797 0.101 42.275 1.00 23.67 C ATOM 1360 O ARG A 168 6.544 -0.008 41.080 1.00 21.59 O ATOM 1361 CB ARG A 168 6.243 -1.829 43.718 1.00 26.31 C ATOM 1362 CG ARG A 168 6.542 -3.262 44.135 1.00 27.10 C ATOM 1363 CD ARG A 168 6.559 -4.261 42.989 1.00 23.95 C ATOM 1364 NE ARG A 168 7.915 -4.450 42.489 1.00 24.72 N ATOM 1365 CZ ARG A 168 8.249 -5.222 41.465 1.00 25.27 C ATOM 1366 NH1 ARG A 168 7.309 -5.858 40.787 1.00 23.71 N ATOM 1367 NH2 ARG A 168 9.518 -5.329 41.090 1.00 23.96 N ATOM 0 H ARG A 168 8.175 -0.626 44.766 1.00 21.84 H new ATOM 0 HA ARG A 168 7.832 -1.708 42.403 1.00 23.84 H new ATOM 0 HB2 ARG A 168 5.992 -1.324 44.507 1.00 26.31 H new ATOM 0 HB3 ARG A 168 5.473 -1.834 43.128 1.00 26.31 H new ATOM 0 HG2 ARG A 168 7.403 -3.284 44.581 1.00 27.10 H new ATOM 0 HG3 ARG A 168 5.879 -3.543 44.784 1.00 27.10 H new ATOM 0 HD2 ARG A 168 6.199 -5.110 43.289 1.00 23.95 H new ATOM 0 HD3 ARG A 168 5.986 -3.947 42.272 1.00 23.95 H new ATOM 0 HE ARG A 168 8.548 -4.027 42.890 1.00 24.72 H new ATOM 0 HH11 ARG A 168 6.483 -5.770 41.011 1.00 23.71 H new ATOM 0 HH12 ARG A 168 7.523 -6.360 40.122 1.00 23.71 H new ATOM 0 HH21 ARG A 168 10.129 -4.896 41.512 1.00 23.96 H new ATOM 0 HH22 ARG A 168 9.729 -5.832 40.425 1.00 23.96 H new ATOM 1368 N LEU A 169 6.570 1.223 42.977 1.00 20.58 N ATOM 1369 CA LEU A 169 5.718 2.276 42.425 1.00 26.28 C ATOM 1370 C LEU A 169 6.513 3.502 41.964 1.00 28.95 C ATOM 1371 O LEU A 169 6.003 4.276 41.154 1.00 24.10 O ATOM 1372 CB LEU A 169 4.638 2.662 43.444 1.00 24.57 C ATOM 1373 CG LEU A 169 3.630 1.558 43.801 1.00 25.64 C ATOM 1374 CD1 LEU A 169 2.595 2.091 44.801 1.00 25.00 C ATOM 1375 CD2 LEU A 169 2.932 1.064 42.537 1.00 27.30 C ATOM 0 H LEU A 169 6.894 1.387 43.757 1.00 20.58 H new ATOM 0 HA LEU A 169 5.291 1.920 41.630 1.00 26.28 H new ATOM 0 HB2 LEU A 169 5.076 2.953 44.259 1.00 24.57 H new ATOM 0 HB3 LEU A 169 4.148 3.424 43.098 1.00 24.57 H new ATOM 0 HG LEU A 169 4.105 0.817 44.209 1.00 25.64 H new ATOM 0 HD11 LEU A 169 1.964 1.388 45.020 1.00 25.00 H new ATOM 0 HD12 LEU A 169 3.046 2.383 45.609 1.00 25.00 H new ATOM 0 HD13 LEU A 169 2.120 2.840 44.407 1.00 25.00 H new ATOM 0 HD21 LEU A 169 2.297 0.368 42.769 1.00 27.30 H new ATOM 0 HD22 LEU A 169 2.463 1.802 42.117 1.00 27.30 H new ATOM 0 HD23 LEU A 169 3.591 0.708 41.921 1.00 27.30 H new ATOM 1376 N THR A 170 7.750 3.685 42.456 1.00 27.67 N ATOM 1377 CA THR A 170 8.595 4.760 41.937 1.00 24.56 C ATOM 1378 C THR A 170 9.635 4.227 40.963 1.00 27.35 C ATOM 1379 O THR A 170 9.848 4.846 39.926 1.00 25.34 O ATOM 1380 CB THR A 170 9.277 5.598 43.032 1.00 24.15 C ATOM 1381 OG1 THR A 170 8.205 6.170 43.757 1.00 21.73 O ATOM 1382 CG2 THR A 170 10.137 6.748 42.526 1.00 20.43 C ATOM 0 H THR A 170 8.107 3.207 43.076 1.00 27.67 H new ATOM 0 HA THR A 170 7.990 5.355 41.467 1.00 24.56 H new ATOM 0 HB THR A 170 9.875 5.020 43.532 1.00 24.15 H new ATOM 0 HG1 THR A 170 8.324 6.999 43.826 1.00 21.73 H new ATOM 0 HG21 THR A 170 10.525 7.218 43.280 1.00 20.43 H new ATOM 0 HG22 THR A 170 10.846 6.399 41.964 1.00 20.43 H new ATOM 0 HG23 THR A 170 9.588 7.360 42.011 1.00 20.43 H new ATOM 1383 N LEU A 171 10.342 3.142 41.322 1.00 26.65 N ATOM 1384 CA LEU A 171 11.513 2.741 40.546 1.00 31.78 C ATOM 1385 C LEU A 171 11.148 1.743 39.436 1.00 40.17 C ATOM 1386 O LEU A 171 10.049 1.207 39.425 1.00 38.43 O ATOM 1387 CB LEU A 171 12.598 2.203 41.484 1.00 29.62 C ATOM 1388 CG LEU A 171 13.152 3.193 42.519 1.00 29.99 C ATOM 1389 CD1 LEU A 171 14.214 2.548 43.391 1.00 29.27 C ATOM 1390 CD2 LEU A 171 13.699 4.454 41.865 1.00 29.62 C ATOM 0 H LEU A 171 10.161 2.640 41.996 1.00 26.65 H new ATOM 0 HA LEU A 171 11.869 3.522 40.093 1.00 31.78 H new ATOM 0 HB2 LEU A 171 12.239 1.436 41.957 1.00 29.62 H new ATOM 0 HB3 LEU A 171 13.337 1.882 40.943 1.00 29.62 H new ATOM 0 HG LEU A 171 12.407 3.450 43.084 1.00 29.99 H new ATOM 0 HD11 LEU A 171 14.544 3.196 44.033 1.00 29.27 H new ATOM 0 HD12 LEU A 171 13.830 1.793 43.863 1.00 29.27 H new ATOM 0 HD13 LEU A 171 14.948 2.242 42.835 1.00 29.27 H new ATOM 0 HD21 LEU A 171 14.038 5.052 42.549 1.00 29.62 H new ATOM 0 HD22 LEU A 171 14.417 4.218 41.257 1.00 29.62 H new ATOM 0 HD23 LEU A 171 12.991 4.896 41.372 1.00 29.62 H new ATOM 1391 N LYS A 172 12.041 1.614 38.439 1.00 49.84 N ATOM 1392 CA LYS A 172 12.008 0.708 37.283 1.00 71.12 C ATOM 1393 C LYS A 172 10.647 0.037 37.073 1.00 80.68 C ATOM 1394 O LYS A 172 10.376 -1.027 37.633 1.00 90.00 O ATOM 1395 CB LYS A 172 13.152 -0.320 37.358 1.00 61.48 C ATOM 1396 CG LYS A 172 13.155 -1.444 36.322 1.00 66.47 C ATOM 1397 CD LYS A 172 13.999 -2.659 36.721 1.00 64.93 C ATOM 1398 CE LYS A 172 14.498 -3.475 35.542 1.00 70.98 C ATOM 1399 NZ LYS A 172 15.722 -4.252 35.865 1.00 64.53 N ATOM 0 H LYS A 172 12.748 2.104 38.425 1.00 49.84 H new ATOM 0 HA LYS A 172 12.147 1.259 36.496 1.00 71.12 H new ATOM 0 HB2 LYS A 172 13.992 0.160 37.283 1.00 61.48 H new ATOM 0 HB3 LYS A 172 13.135 -0.725 38.239 1.00 61.48 H new ATOM 0 HG2 LYS A 172 12.242 -1.733 36.169 1.00 66.47 H new ATOM 0 HG3 LYS A 172 13.486 -1.094 35.480 1.00 66.47 H new ATOM 0 HD2 LYS A 172 14.761 -2.356 37.239 1.00 64.93 H new ATOM 0 HD3 LYS A 172 13.472 -3.232 37.300 1.00 64.93 H new ATOM 0 HE2 LYS A 172 13.799 -4.083 35.254 1.00 70.98 H new ATOM 0 HE3 LYS A 172 14.682 -2.882 34.797 1.00 70.98 H new ATOM 0 HZ1 LYS A 172 15.616 -5.096 35.603 1.00 64.53 H new ATOM 0 HZ2 LYS A 172 16.420 -3.896 35.443 1.00 64.53 H new ATOM 0 HZ3 LYS A 172 15.865 -4.230 36.743 1.00 64.53 H new ATOM 1400 N HIS A 173 9.832 0.611 36.180 1.00 88.39 N ATOM 1401 CA HIS A 173 8.591 -0.038 35.781 1.00 90.00 C ATOM 1402 C HIS A 173 8.671 -0.468 34.310 1.00 85.32 C ATOM 1403 O HIS A 173 9.791 -0.816 33.877 1.00 83.70 O ATOM 1404 CB HIS A 173 7.374 0.858 36.062 1.00 90.00 C ATOM 1405 CG HIS A 173 7.372 1.493 37.415 1.00 90.00 C ATOM 1406 ND1 HIS A 173 7.327 2.869 37.586 1.00 90.00 N ATOM 1407 CD2 HIS A 173 7.392 0.958 38.656 1.00 90.00 C ATOM 1408 CE1 HIS A 173 7.328 3.149 38.873 1.00 90.00 C ATOM 1409 NE2 HIS A 173 7.367 1.994 39.551 1.00 90.00 N ATOM 0 H HIS A 173 9.982 1.368 35.800 1.00 88.39 H new ATOM 0 HA HIS A 173 8.471 -0.837 36.317 1.00 90.00 H new ATOM 0 HB2 HIS A 173 7.338 1.556 35.389 1.00 90.00 H new ATOM 0 HB3 HIS A 173 6.567 0.328 35.964 1.00 90.00 H new ATOM 0 HD1 HIS A 173 7.302 3.448 36.951 1.00 90.00 H new ATOM 0 HD2 HIS A 173 7.418 0.052 38.864 1.00 90.00 H new ATOM 0 HE1 HIS A 173 7.306 4.000 39.246 1.00 90.00 H new TER 1410 HIS A 173 HETATM 1411 CD CD A 201 48.919 0.002 41.514 0.50 24.70 CD HETATM 1412 CD CD A 202 29.740 29.822 29.807 0.10 56.04 CD HETATM 1413 CD CD A 203 51.425 25.940 35.008 0.10 41.98 CD HETATM 1414 CD CD A 204 12.414 -8.768 36.375 0.20 53.74 CD HETATM 1415 CD CD A 205 24.181 5.738 28.576 0.40 46.83 CD HETATM 1416 CD CD A 206 21.466 1.545 30.065 0.20 44.64 CD HETATM 1417 CD CD A 207 25.332 -9.225 55.555 0.10 52.85 CD HETATM 1418 AR AR A 208 27.183 5.525 47.219 1.00 47.19 AR HETATM 1419 S SO4 A 209 49.754 28.277 24.550 1.00 57.52 S HETATM 1420 O1 SO4 A 209 49.899 28.701 23.177 1.00 52.35 O HETATM 1421 O2 SO4 A 209 49.595 26.844 24.580 1.00 65.11 O HETATM 1422 O3 SO4 A 209 48.602 28.905 25.136 1.00 60.45 O HETATM 1423 O4 SO4 A 209 50.923 28.651 25.312 1.00 51.61 O HETATM 1424 S SO4 A 210 11.299 12.642 40.524 0.50 56.33 S HETATM 1425 O1 SO4 A 210 10.982 12.461 39.127 0.50 56.57 O HETATM 1426 O2 SO4 A 210 12.709 12.895 40.660 0.50 47.05 O HETATM 1427 O3 SO4 A 210 10.939 11.446 41.253 0.50 48.44 O HETATM 1428 O4 SO4 A 210 10.561 13.760 41.043 0.50 40.51 O HETATM 1429 S SO4 A 211 30.619 -3.050 54.947 0.50 38.39 S HETATM 1430 O1 SO4 A 211 31.774 -2.987 54.096 0.50 35.32 O HETATM 1431 O2 SO4 A 211 29.461 -3.330 54.167 0.50 28.89 O HETATM 1432 O3 SO4 A 211 30.455 -1.784 55.619 0.50 34.48 O HETATM 1433 O4 SO4 A 211 30.805 -4.087 55.919 0.50 37.83 O HETATM 1434 O HOH A 301 10.067 -1.806 39.470 1.00 43.62 O HETATM 1435 O HOH A 302 36.028 18.628 23.954 1.00 47.40 O HETATM 1436 O HOH A 303 30.635 0.107 34.871 1.00 61.02 O HETATM 1437 O HOH A 304 29.811 -5.881 55.193 1.00 48.90 O HETATM 1438 O HOH A 305 30.483 2.881 28.890 1.00 53.93 O HETATM 1439 O HOH A 306 20.452 0.295 57.812 1.00 45.72 O HETATM 1440 O HOH A 307 27.216 -9.796 55.959 1.00 60.11 O HETATM 1441 O HOH A 308 13.309 15.361 52.538 1.00 41.64 O HETATM 1442 O HOH A 309 51.930 14.985 21.699 1.00 47.87 O HETATM 1443 O HOH A 310 23.836 7.875 28.916 1.00 41.60 O HETATM 1444 O HOH A 311 20.669 -13.356 54.224 1.00 49.62 O HETATM 1445 O HOH A 312 30.380 19.205 23.127 1.00 52.50 O HETATM 1446 O HOH A 313 17.775 -8.121 40.342 1.00 49.96 O HETATM 1447 O HOH A 314 32.031 13.560 50.521 1.00 47.46 O HETATM 1448 O HOH A 315 28.569 -0.627 34.245 1.00 54.94 O HETATM 1449 O HOH A 316 22.395 1.306 28.314 1.00 49.35 O HETATM 1450 O HOH A 317 25.721 -0.534 34.391 1.00 40.08 O HETATM 1451 O HOH A 318 35.370 15.774 23.634 1.00 51.94 O HETATM 1452 O HOH A 319 40.029 9.458 42.969 1.00 36.45 O HETATM 1453 O HOH A 320 29.839 30.243 32.064 1.00 49.41 O HETATM 1454 O HOH A 321 16.041 16.143 38.377 1.00 29.28 O HETATM 1455 O HOH A 322 9.090 14.620 42.916 1.00 40.65 O HETATM 1456 O HOH A 323 42.270 17.726 41.190 1.00 47.41 O HETATM 1457 O HOH A 324 35.991 3.747 48.295 1.00 46.51 O HETATM 1458 O HOH A 325 29.562 14.649 49.537 1.00 30.60 O HETATM 1459 O HOH A 326 46.511 30.188 24.419 1.00 43.59 O HETATM 1460 O HOH A 327 34.824 16.481 45.834 1.00 38.27 O HETATM 1461 O HOH A 328 8.879 -0.816 61.017 1.00 55.54 O HETATM 1462 O HOH A 329 28.316 14.413 35.717 1.00 41.98 O HETATM 1463 O HOH A 330 33.313 25.485 23.861 1.00 55.01 O HETATM 1464 O HOH A 331 46.594 14.089 37.929 1.00 38.33 O HETATM 1465 O HOH A 332 39.753 24.999 41.972 1.00 39.73 O HETATM 1466 O HOH A 333 46.034 20.205 39.059 1.00 33.99 O HETATM 1467 O HOH A 334 26.860 21.373 39.039 1.00 27.58 O HETATM 1468 O HOH A 335 33.976 10.763 45.572 1.00 52.62 O HETATM 1469 O HOH A 336 37.739 15.385 18.511 1.00 48.88 O HETATM 1470 O HOH A 337 12.153 13.869 54.473 1.00 44.72 O HETATM 1471 O HOH A 338 14.416 -9.126 35.525 0.50 56.62 O HETATM 1472 O HOH A 339 13.242 -0.912 55.134 1.00 33.79 O HETATM 1473 O HOH A 340 49.505 17.570 34.181 1.00 31.46 O HETATM 1474 O HOH A 341 16.306 9.524 57.113 1.00 44.00 O HETATM 1475 O HOH A 342 45.795 14.151 21.718 1.00 26.22 O HETATM 1476 O HOH A 343 47.889 4.250 41.297 1.00 23.63 O HETATM 1477 O HOH A 344 36.544 22.681 46.981 1.00 55.54 O HETATM 1478 O HOH A 345 14.676 1.887 38.439 1.00 31.95 O HETATM 1479 O HOH A 346 38.480 30.750 39.498 1.00 43.13 O HETATM 1480 O HOH A 347 32.366 -5.435 47.914 1.00 21.48 O HETATM 1481 O HOH A 348 8.233 8.819 43.934 1.00 27.29 O HETATM 1482 O HOH A 349 35.707 -4.694 52.896 1.00 38.06 O HETATM 1483 O HOH A 350 45.388 31.196 29.616 1.00 46.91 O HETATM 1484 O HOH A 351 30.046 5.139 49.237 1.00 36.04 O HETATM 1485 O HOH A 352 53.349 21.498 24.366 1.00 56.20 O HETATM 1486 O HOH A 353 46.020 10.362 26.133 1.00 31.61 O HETATM 1487 O AHOH A 354 40.455 11.955 42.084 0.50 20.94 O HETATM 1488 O BHOH A 354 40.104 12.949 43.399 0.50 31.86 O HETATM 1489 O HOH A 355 11.446 -3.457 37.877 1.00 60.29 O HETATM 1490 O HOH A 356 5.109 2.210 55.650 1.00 39.74 O HETATM 1491 O HOH A 357 6.890 -2.145 39.513 1.00 51.32 O HETATM 1492 O HOH A 358 3.755 3.828 39.780 1.00 40.15 O HETATM 1493 O HOH A 359 31.671 -2.903 47.326 1.00 23.44 O HETATM 1494 O HOH A 360 10.823 10.123 44.033 1.00 24.20 O HETATM 1495 O HOH A 361 24.153 5.778 53.958 1.00 27.52 O HETATM 1496 O HOH A 362 44.588 22.308 23.442 1.00 24.87 O HETATM 1497 O HOH A 363 49.813 5.747 35.707 1.00 29.05 O HETATM 1498 O HOH A 364 29.409 5.138 52.277 1.00 49.27 O HETATM 1499 O HOH A 365 11.025 -7.963 40.675 1.00 55.07 O HETATM 1500 O HOH A 366 30.227 21.099 48.631 1.00 38.13 O HETATM 1501 O HOH A 367 51.346 15.849 28.770 1.00 36.40 O HETATM 1502 O HOH A 368 25.625 11.361 35.813 1.00 51.34 O HETATM 1503 O HOH A 369 30.998 9.076 26.984 1.00 35.05 O HETATM 1504 O HOH A 370 46.942 1.619 45.366 1.00 31.15 O HETATM 1505 O HOH A 371 23.354 11.733 52.078 1.00 42.28 O HETATM 1506 O HOH A 372 47.782 6.426 29.841 1.00 23.43 O HETATM 1507 O HOH A 373 28.883 7.755 49.591 1.00 24.80 O HETATM 1508 O HOH A 374 44.132 25.432 31.012 1.00 27.97 O HETATM 1509 O HOH A 375 51.372 18.093 25.835 1.00 57.46 O HETATM 1510 O HOH A 376 26.927 -7.587 49.527 1.00 21.36 O HETATM 1511 O HOH A 377 40.069 16.605 39.821 1.00 29.39 O HETATM 1512 O HOH A 378 39.738 12.802 21.445 1.00 25.19 O HETATM 1513 O HOH A 379 38.581 19.114 40.732 1.00 27.79 O HETATM 1514 O HOH A 380 49.255 13.703 31.763 1.00 26.50 O HETATM 1515 O HOH A 381 10.460 -6.120 44.825 1.00 21.97 O HETATM 1516 O HOH A 382 27.747 -5.832 45.649 1.00 27.07 O HETATM 1517 O HOH A 383 38.867 21.600 27.588 1.00 31.55 O HETATM 1518 O HOH A 384 50.900 22.985 20.166 1.00 48.92 O HETATM 1519 O HOH A 385 17.550 -3.094 51.255 1.00 27.23 O HETATM 1520 O HOH A 386 42.656 8.914 35.673 1.00 23.85 O HETATM 1521 O HOH A 387 13.726 15.277 39.685 1.00 48.07 O HETATM 1522 O HOH A 388 19.104 -16.019 51.439 1.00 58.44 O HETATM 1523 O HOH A 389 33.942 8.613 43.339 1.00 25.99 O HETATM 1524 O HOH A 390 36.937 -6.652 42.368 1.00 24.42 O HETATM 1525 O HOH A 391 51.969 22.196 15.801 1.00 55.61 O HETATM 1526 O HOH A 392 21.237 13.819 35.291 1.00 35.47 O HETATM 1527 O HOH A 393 33.834 23.353 25.160 1.00 43.74 O HETATM 1528 O HOH A 394 49.026 24.761 26.328 1.00 31.22 O HETATM 1529 O HOH A 395 19.352 5.496 37.316 1.00 29.58 O HETATM 1530 O HOH A 396 34.916 2.744 44.238 1.00 22.15 O HETATM 1531 O HOH A 397 28.202 10.837 34.583 1.00 36.96 O HETATM 1532 O HOH A 398 44.383 6.121 42.649 1.00 31.04 O HETATM 1533 O HOH A 399 24.599 1.965 53.013 1.00 42.56 O HETATM 1534 O HOH A 400 46.493 10.044 36.971 1.00 48.99 O HETATM 1535 O HOH A 401 40.422 27.386 26.035 1.00 28.62 O HETATM 1536 O HOH A 402 12.898 -6.435 34.140 0.50 50.64 O HETATM 1537 O HOH A 403 42.674 20.677 19.590 1.00 22.50 O HETATM 1538 O HOH A 404 50.039 26.190 21.214 1.00 46.10 O HETATM 1539 O HOH A 405 34.150 14.529 25.263 1.00 40.13 O HETATM 1540 O HOH A 406 9.785 12.767 53.854 1.00 29.85 O HETATM 1541 O HOH A 407 11.580 8.646 57.906 1.00 40.91 O HETATM 1542 O HOH A 408 17.154 2.810 56.915 1.00 31.06 O HETATM 1543 O HOH A 409 16.583 -11.063 53.787 1.00 43.01 O HETATM 1544 O HOH A 410 14.696 7.305 39.120 1.00 33.80 O HETATM 1545 O HOH A 411 36.556 25.692 44.279 1.00 39.06 O HETATM 1546 O HOH A 412 12.971 0.833 48.021 1.00 21.54 O HETATM 1547 O HOH A 413 42.928 25.005 22.244 1.00 25.53 O HETATM 1548 O HOH A 414 32.146 4.189 47.545 1.00 19.72 O HETATM 1549 O HOH A 415 34.030 28.784 38.564 1.00 39.15 O HETATM 1550 O HOH A 416 25.560 19.020 32.106 1.00 53.08 O HETATM 1551 O HOH A 417 7.863 -8.266 39.330 1.00 52.48 O HETATM 1552 O HOH A 418 19.381 8.602 33.214 1.00 54.84 O HETATM 1553 O HOH A 419 6.521 -4.056 56.757 1.00 42.34 O HETATM 1554 O HOH A 420 50.722 23.345 29.008 1.00 49.67 O HETATM 1555 O HOH A 421 33.919 -2.159 50.812 1.00 27.72 O HETATM 1556 O HOH A 422 33.207 26.701 40.256 1.00 31.11 O HETATM 1557 O HOH A 423 47.794 30.132 27.658 1.00 47.75 O HETATM 1558 O HOH A 424 12.234 -6.970 43.047 1.00 22.00 O HETATM 1559 O HOH A 425 22.925 5.494 56.251 1.00 49.56 O HETATM 1560 O HOH A 426 23.998 -6.889 57.570 0.50 49.28 O HETATM 1561 O HOH A 427 21.056 2.993 59.012 1.00 50.71 O HETATM 1562 O HOH A 428 38.660 18.759 43.521 1.00 37.55 O HETATM 1563 O HOH A 429 24.138 -4.081 54.529 1.00 35.77 O HETATM 1564 O HOH A 430 17.926 -11.780 39.776 1.00 46.87 O HETATM 1565 O HOH A 431 38.631 -3.677 53.647 1.00 28.20 O HETATM 1566 O HOH A 432 44.879 27.761 30.213 1.00 33.04 O HETATM 1567 O HOH A 433 47.740 13.250 35.779 1.00 48.17 O HETATM 1568 O HOH A 434 49.887 9.557 28.796 1.00 43.12 O HETATM 1569 O HOH A 435 32.402 25.584 45.146 1.00 35.10 O HETATM 1570 O HOH A 436 14.650 1.854 52.591 1.00 26.54 O HETATM 1571 O HOH A 437 36.961 1.128 50.388 1.00 37.03 O HETATM 1572 O HOH A 438 41.028 5.377 43.505 1.00 28.29 O HETATM 1573 O HOH A 439 35.351 4.914 45.761 1.00 28.14 O HETATM 1574 O HOH A 440 43.743 22.648 20.930 1.00 29.03 O HETATM 1575 O HOH A 441 42.516 32.524 27.112 1.00 42.89 O HETATM 1576 O HOH A 442 10.595 3.539 51.466 1.00 39.96 O HETATM 1577 O HOH A 443 26.593 -11.343 52.566 1.00 65.34 O HETATM 1578 O HOH A 444 33.215 6.315 44.703 1.00 27.71 O HETATM 1579 O HOH A 445 38.832 11.196 47.504 1.00 46.63 O HETATM 1580 O HOH A 446 16.706 -7.526 42.260 1.00 37.63 O HETATM 1581 O HOH A 447 50.551 21.023 37.144 1.00 51.88 O HETATM 1582 O HOH A 448 33.906 15.483 49.690 1.00 47.99 O HETATM 1583 O HOH A 449 52.057 17.854 32.159 1.00 40.00 O HETATM 1584 O HOH A 450 50.947 24.861 31.992 1.00 44.50 O HETATM 1585 O HOH A 451 7.564 7.883 57.865 1.00 44.49 O HETATM 1586 O HOH A 452 9.933 -8.204 37.400 1.00 59.97 O HETATM 1587 O HOH A 453 38.664 33.252 38.092 1.00 54.19 O HETATM 1588 O HOH A 454 23.827 -10.502 55.240 1.00 61.74 O HETATM 1589 O HOH A 455 19.656 -10.350 37.437 1.00 54.44 O HETATM 1590 O HOH A 456 30.324 17.478 48.638 1.00 44.79 O HETATM 1591 O HOH A 457 49.037 18.110 40.167 1.00 42.64 O HETATM 1592 O HOH A 458 20.675 24.421 32.972 1.00 70.95 O HETATM 1593 O HOH A 459 30.639 21.555 23.915 1.00 51.55 O HETATM 1594 O HOH A 460 32.365 2.646 25.217 1.00 64.78 O HETATM 1595 O HOH A 461 34.795 -1.886 53.215 1.00 35.81 O HETATM 1596 O HOH A 462 48.693 14.981 34.176 1.00 32.40 O HETATM 1597 O HOH A 463 23.196 -5.905 39.145 1.00 49.43 O HETATM 1598 O HOH A 464 8.749 -4.142 58.810 1.00 55.05 O HETATM 1599 O HOH A 465 52.446 21.177 28.625 1.00 49.52 O HETATM 1600 O HOH A 466 24.519 14.547 51.892 1.00 43.07 O HETATM 1601 O HOH A 467 38.964 14.609 41.309 0.50 21.39 O HETATM 1602 O HOH A 468 43.593 4.119 44.795 1.00 30.63 O HETATM 1603 O HOH A 469 43.676 5.495 47.183 1.00 34.30 O HETATM 1604 O HOH A 470 5.705 9.955 57.634 1.00 53.52 O HETATM 1605 O HOH A 471 53.123 18.380 29.491 1.00 30.00 O HETATM 1606 O HOH A 472 40.834 27.575 41.359 1.00 43.43 O HETATM 1607 O HOH A 473 49.687 27.394 32.052 1.00 69.71 O HETATM 1608 O HOH A 474 40.422 20.877 40.301 1.00 39.23 O HETATM 1609 O HOH A 475 25.763 8.056 53.635 1.00 39.88 O HETATM 1610 O HOH A 476 47.494 27.607 29.916 1.00 43.66 O HETATM 1611 O HOH A 477 41.188 22.882 42.121 1.00 45.80 O HETATM 1612 O HOH A 478 40.602 26.186 23.746 1.00 31.25 O HETATM 1613 O HOH A 479 50.555 1.892 40.904 1.00 12.90 O HETATM 1614 O HOH A 480 44.111 8.974 41.086 1.00 57.13 O HETATM 1615 O HOH A 481 18.897 12.605 36.410 1.00 42.66 O HETATM 1616 O HOH A 482 26.470 -7.989 46.790 1.00 25.78 O HETATM 1617 O HOH A 483 9.083 12.213 56.272 1.00 38.05 O HETATM 1618 O HOH A 484 32.719 10.620 24.880 1.00 54.42 O HETATM 1619 O HOH A 485 53.287 14.989 17.255 1.00 43.62 O HETATM 1620 O HOH A 486 33.801 30.525 32.776 1.00 57.30 O HETATM 1621 O HOH A 487 12.813 2.555 50.254 1.00 22.99 O HETATM 1622 O HOH A 488 38.108 32.225 30.489 1.00 50.46 O HETATM 1623 O HOH A 489 37.224 7.114 51.261 1.00 53.32 O HETATM 1624 O HOH A 490 52.460 20.878 13.539 1.00 58.75 O HETATM 1625 O HOH A 491 33.715 -0.008 36.033 1.00 51.65 O HETATM 1626 O HOH A 492 33.187 17.416 48.611 1.00 45.53 O HETATM 1627 O HOH A 493 15.782 14.346 36.329 1.00 57.83 O HETATM 1628 O HOH A 494 19.629 -13.014 38.380 1.00 46.11 O HETATM 1629 O HOH A 495 14.851 4.486 38.070 1.00 46.87 O HETATM 1630 O HOH A 496 10.494 10.772 35.463 0.50 44.90 O HETATM 1631 O HOH A 497 31.219 8.855 48.866 1.00 34.47 O HETATM 1632 O HOH A 498 18.136 1.049 58.781 1.00 41.89 O HETATM 1633 O HOH A 499 32.899 7.352 47.462 1.00 52.00 O HETATM 1634 O HOH A 500 38.800 26.035 43.926 1.00 46.32 O HETATM 1635 O HOH A 501 24.357 10.620 54.618 1.00 41.11 O HETATM 1636 O HOH A 502 17.171 4.441 36.274 1.00 48.17 O HETATM 1637 O HOH A 503 35.929 30.508 40.178 1.00 49.46 O HETATM 1638 O HOH A 504 27.603 15.220 51.237 1.00 52.63 O HETATM 1639 O HOH A 505 28.393 7.565 52.246 1.00 32.78 O HETATM 1640 O HOH A 506 52.706 27.794 34.516 0.50 51.49 O HETATM 1641 O HOH A 507 36.725 14.401 45.847 1.00 47.43 O HETATM 1642 O HOH A 508 13.434 1.944 54.859 1.00 37.49 O HETATM 1643 O HOH A 509 49.067 20.120 39.047 1.00 44.24 O HETATM 1644 O HOH A 510 14.546 2.920 57.138 1.00 31.71 O HETATM 1645 O HOH A 511 14.683 5.236 58.819 1.00 39.32 O HETATM 1646 O HOH A 512 14.082 7.834 58.148 1.00 46.66 O HETATM 1647 O HOH A 513 53.130 13.762 29.025 1.00 56.14 O HETATM 1648 O HOH A 514 38.359 15.770 43.973 1.00 41.15 O HETATM 1649 O HOH A 515 36.233 30.165 42.790 1.00 45.22 O CONECT 90 1413 CONECT 91 1413 CONECT 375 1414 CONECT 376 1414 CONECT 383 388 CONECT 388 383 389 CONECT 389 388 390 392 CONECT 390 389 391 CONECT 391 390 394 CONECT 392 389 393 395 CONECT 393 392 CONECT 394 391 CONECT 395 392 CONECT 445 1416 CONECT 446 1416 CONECT 467 1416 CONECT 468 1415 CONECT 505 1415 CONECT 506 1415 CONECT 664 1411 CONECT 665 1411 CONECT 729 1417 CONECT 730 1417 CONECT 1055 1412 CONECT 1411 664 665 1613 CONECT 1412 1055 1453 CONECT 1413 90 91 1640 CONECT 1414 375 376 1471 CONECT 1415 468 505 506 1443 CONECT 1416 445 446 467 1449 CONECT 1417 729 730 1440 1588 CONECT 1419 1420 1421 1422 1423 CONECT 1420 1419 CONECT 1421 1419 CONECT 1422 1419 CONECT 1423 1419 CONECT 1424 1425 1426 1427 1428 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1424 CONECT 1428 1424 CONECT 1429 1430 1431 1432 1433 CONECT 1430 1429 CONECT 1431 1429 CONECT 1432 1429 CONECT 1433 1429 CONECT 1440 1417 CONECT 1443 1415 CONECT 1449 1416 CONECT 1453 1412 CONECT 1471 1414 CONECT 1588 1417 CONECT 1613 1411 CONECT 1640 1413 END