USER MOD reduce.3.24.130724 H: found=0, std=0, add=1481, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PLANT PROTEIN 08-JUL-16 5LH5 TITLE HIGH DOSE THAUMATIN - 40-80 MS. CAVEAT 5LH5 TLA A 302 HAS WRONG CHIRALITY AT ATOM C2 TLA A 302 HAS WRONG CAVEAT 2 5LH5 CHIRALITY AT ATOM C3 COMPND MOL_ID: 1; COMPND 2 MOLECULE: THAUMATIN-1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: THAUMATIN I SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; SOURCE 3 ORGANISM_COMMON: KATEMFE; SOURCE 4 ORGANISM_TAXID: 4621 KEYWDS MULTICRYSTAL, ROOM-TEMPERATURE, THAUMATIN, PLANT PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR R.SCHUBERT,S.KAPIS,M.HEYMANN,Y.GIQUEL,G.BOURENKOV,T.SCHNEIDER, AUTHOR 2 C.BETZEL,M.PERBANDT REVDAT 1 09-NOV-16 5LH5 0 JRNL AUTH R.SCHUBERT,S.KAPIS,Y.GIQUEL,G.BOURENKOV,T.SCHNEIDER, JRNL AUTH 2 M.HEYMANN,C.BETZEL,M.PERBANDT JRNL TITL A MULTICRYSTAL DIFFRACTION DATA-COLLECTION APPROACH FOR JRNL TITL 2 STUDYING STRUCTURAL DYNAMICS WITH MILLISECOND TEMPORAL JRNL TITL 3 RESOLUTION JRNL REF IUCRJ V. 3 393 2016 JRNL REFN ESSN 2052-2525 JRNL DOI 10.1107/S2052252516016304 REMARK 2 REMARK 2 RESOLUTION. 1.69 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0131 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.69 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.93 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 92.9 REMARK 3 NUMBER OF REFLECTIONS : 30580 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) : 0.176 REMARK 3 R VALUE (WORKING SET) : 0.176 REMARK 3 FREE R VALUE : 0.201 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.200 REMARK 3 FREE R VALUE TEST SET COUNT : 677 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.65 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.69 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2220 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.58 REMARK 3 BIN R VALUE (WORKING SET) : 0.2830 REMARK 3 BIN FREE R VALUE SET COUNT : 42 REMARK 3 BIN FREE R VALUE : 0.2690 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1550 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 20 REMARK 3 SOLVENT ATOMS : 68 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 26.83 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.39 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) : -0.01000 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): 0.077 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.078 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.062 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.902 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.967 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.963 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1612 ; 0.025 ; 0.020 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2189 ; 2.634 ; 1.958 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 206 ; 6.787 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 66 ;38.623 ;23.030 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 241 ;14.508 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;20.044 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 234 ; 0.447 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1243 ; 0.013 ; 0.021 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): 827 ; 2.654 ; 2.198 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1032 ; 3.918 ; 3.279 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 785 ; 5.260 ; 2.705 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): NULL ; NULL ; NULL 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: U VALUES : REFINED INDIVIDUALLY REMARK 4 REMARK 4 5LH5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 08-JUL-16. REMARK 100 THE DEPOSITION ID IS D_1200000724. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 24-OCT-15 REMARK 200 TEMPERATURE (KELVIN) : 296 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : PETRA III, EMBL C/O DESY REMARK 200 BEAMLINE : P14 (MX2) REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.96863 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL 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 : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30580 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.690 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 92.9 REMARK 200 DATA REDUNDANCY : 3.200 REMARK 200 R MERGE (I) : 0.11400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.69 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.75 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.72000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: 1LR2 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 57.73 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.91 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.3 M SODIUM TARTRATE AND 50 MM TRIS, REMARK 280 PH 6.8, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 75.79500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 29.21000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 29.21000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.89750 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 29.21000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 29.21000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 113.69250 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 29.21000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 29.21000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 37.89750 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 29.21000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 29.21000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 113.69250 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 75.79500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 280 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9960 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 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 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 CB THR A 206 O HOH A 453 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O1 TLA A 301 O4 TLA A 302 4454 0.63 REMARK 500 O11 TLA A 301 O41 TLA A 302 4454 0.71 REMARK 500 C1 TLA A 301 C4 TLA A 302 4454 0.80 REMARK 500 O11 TLA A 301 C4 TLA A 302 4454 0.81 REMARK 500 O3 TLA A 301 O2 TLA A 302 4454 0.98 REMARK 500 C1 TLA A 301 O4 TLA A 302 4454 1.02 REMARK 500 O2 TLA A 301 O3 TLA A 302 4454 1.12 REMARK 500 O4 TLA A 301 O1 TLA A 302 4454 1.33 REMARK 500 O41 TLA A 301 O11 TLA A 302 4454 1.35 REMARK 500 O3 TLA A 301 C2 TLA A 302 4454 1.76 REMARK 500 C2 TLA A 301 C4 TLA A 302 4454 1.79 REMARK 500 O41 TLA A 301 O1 TLA A 302 4454 1.84 REMARK 500 C1 TLA A 301 C3 TLA A 302 4454 1.88 REMARK 500 O11 TLA A 301 O4 TLA A 302 4454 1.89 REMARK 500 O1 TLA A 301 C4 TLA A 302 4454 1.89 REMARK 500 C2 TLA A 301 C2 TLA A 302 4454 1.97 REMARK 500 O11 TLA A 301 C3 TLA A 302 4454 1.98 REMARK 500 C3 TLA A 301 C1 TLA A 302 4454 1.99 REMARK 500 C1 TLA A 301 O41 TLA A 302 4454 2.01 REMARK 500 C3 TLA A 301 O2 TLA A 302 4454 2.08 REMARK 500 C3 TLA A 301 C3 TLA A 302 4454 2.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 TYR A 57 CG TYR A 57 CD2 0.079 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 29 NE - CZ - NH1 ANGL. DEV. = -3.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 25 -136.69 58.52 REMARK 500 CYS A 71 70.28 -115.90 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues TLA A 301 and TLA A REMARK 800 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues TLA A 301 and TLA A REMARK 800 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues TLA A 301 and TLA A REMARK 800 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues TLA A 301 and TLA A REMARK 800 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues TLA A 301 and TLA A REMARK 800 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residues TLA A 301 and TLA A REMARK 800 302 DBREF 5LH5 A 1 207 UNP P02883 THM1_THADA 1 207 SEQRES 1 A 207 ALA THR PHE GLU ILE VAL ASN ARG CYS SER TYR THR VAL SEQRES 2 A 207 TRP ALA ALA ALA SER LYS GLY ASP ALA ALA LEU ASP ALA SEQRES 3 A 207 GLY GLY ARG GLN LEU ASN SER GLY GLU SER TRP THR ILE SEQRES 4 A 207 ASN VAL GLU PRO GLY THR ASN GLY GLY LYS ILE TRP ALA SEQRES 5 A 207 ARG THR ASP CYS TYR PHE ASP ASP SER GLY SER GLY ILE SEQRES 6 A 207 CYS LYS THR GLY ASP CYS GLY GLY LEU LEU ARG CYS LYS SEQRES 7 A 207 ARG PHE GLY ARG PRO PRO THR THR LEU ALA GLU PHE SER SEQRES 8 A 207 LEU ASN GLN TYR GLY LYS ASP TYR ILE ASP ILE SER ASN SEQRES 9 A 207 ILE LYS GLY PHE ASN VAL PRO MET ASN PHE SER PRO THR SEQRES 10 A 207 THR ARG GLY CYS ARG GLY VAL ARG CYS ALA ALA ASP ILE SEQRES 11 A 207 VAL GLY GLN CYS PRO ALA LYS LEU LYS ALA PRO GLY GLY SEQRES 12 A 207 GLY CYS ASN ASP ALA CYS THR VAL PHE GLN THR SER GLU SEQRES 13 A 207 TYR CYS CYS THR THR GLY LYS CYS GLY PRO THR GLU TYR SEQRES 14 A 207 SER ARG PHE PHE LYS ARG LEU CYS PRO ASP ALA PHE SER SEQRES 15 A 207 TYR VAL LEU ASP LYS PRO THR THR VAL THR CYS PRO GLY SEQRES 16 A 207 SER SER ASN TYR ARG VAL THR PHE CYS PRO THR ALA HET TLA A 301 10 HET TLA A 302 10 HETNAM TLA L(+)-TARTARIC ACID FORMUL 2 TLA 2(C4 H6 O6) FORMUL 4 HOH *68(H2 O) HELIX 1 AA1 ASP A 129 CYS A 134 1 6 HELIX 2 AA2 PRO A 135 LYS A 139 5 5 HELIX 3 AA3 ASP A 147 GLN A 153 1 7 HELIX 4 AA4 THR A 154 CYS A 159 1 6 HELIX 5 AA5 THR A 167 CYS A 177 1 11 SHEET 1 AA1 5 SER A 36 ASN A 40 0 SHEET 2 AA1 5 THR A 2 ASN A 7 -1 N ILE A 5 O TRP A 37 SHEET 3 AA1 5 TYR A 199 PHE A 203 1 O VAL A 201 N VAL A 6 SHEET 4 AA1 5 MET A 112 PRO A 116 -1 N SER A 115 O ARG A 200 SHEET 5 AA1 5 VAL A 124 CYS A 126 -1 O VAL A 124 N PHE A 114 SHEET 1 AA2 4 ALA A 23 LEU A 31 0 SHEET 2 AA2 4 VAL A 13 SER A 18 -1 N VAL A 13 O LEU A 31 SHEET 3 AA2 4 GLY A 48 PHE A 58 -1 O LYS A 49 N SER A 18 SHEET 4 AA2 4 GLY A 64 THR A 68 -1 O ILE A 65 N TYR A 57 SHEET 1 AA3 6 ALA A 23 LEU A 31 0 SHEET 2 AA3 6 VAL A 13 SER A 18 -1 N VAL A 13 O LEU A 31 SHEET 3 AA3 6 GLY A 48 PHE A 58 -1 O LYS A 49 N SER A 18 SHEET 4 AA3 6 LEU A 87 GLN A 94 -1 O ALA A 88 N ILE A 50 SHEET 5 AA3 6 LYS A 97 SER A 103 -1 O LYS A 97 N GLN A 94 SHEET 6 AA3 6 VAL A 191 PRO A 194 -1 O CYS A 193 N ASP A 98 SSBOND *** CYS A 9 CYS A 204 1555 1555 2.02 SSBOND *** CYS A 56 CYS A 66 1555 1555 2.03 SSBOND *** CYS A 71 CYS A 77 1555 1555 2.04 SSBOND *** CYS A 121 CYS A 193 1555 1555 2.05 SSBOND *** CYS A 126 CYS A 177 1555 1555 2.03 SSBOND *** CYS A 134 CYS A 145 1555 1555 2.04 SSBOND *** CYS A 149 CYS A 158 1555 1555 2.02 SSBOND *** CYS A 159 CYS A 164 1555 1555 2.02 LINK C2 TLA A 301 C3 TLA A 302 1555 4454 1.23 LINK O2 TLA A 301 C3 TLA A 302 1555 4454 1.39 LINK C3 TLA A 301 C2 TLA A 302 1555 4454 1.59 LINK C4 TLA A 301 O1 TLA A 302 1555 4454 1.25 LINK C4 TLA A 301 C1 TLA A 302 1555 4454 1.46 LINK O41 TLA A 301 C1 TLA A 302 1555 4454 1.21 CISPEP 1 PRO A 83 PRO A 84 0 8.32 SITE *** AC1 10 ARG A 29 GLU A 35 SER A 36 LYS A 67 SITE *** AC1 10 PHE A 152 THR A 154 TYR A 157 HOH A 401 SITE *** AC1 10 HOH A 402 HOH A 403 SITE *** AC2 10 ARG A 29 GLU A 35 SER A 36 LYS A 67 SITE *** AC2 10 PHE A 152 THR A 154 TYR A 157 HOH A 401 SITE *** AC2 10 HOH A 402 HOH A 403 SITE *** AC3 10 ARG A 29 GLU A 35 SER A 36 LYS A 67 SITE *** AC3 10 PHE A 152 THR A 154 TYR A 157 HOH A 401 SITE *** AC3 10 HOH A 402 HOH A 403 SITE *** AC4 10 ARG A 29 GLU A 35 SER A 36 LYS A 67 SITE *** AC4 10 PHE A 152 THR A 154 TYR A 157 HOH A 401 SITE *** AC4 10 HOH A 402 HOH A 403 SITE *** AC5 10 ARG A 29 GLU A 35 SER A 36 LYS A 67 SITE *** AC5 10 PHE A 152 THR A 154 TYR A 157 HOH A 401 SITE *** AC5 10 HOH A 402 HOH A 403 SITE *** AC6 10 ARG A 29 GLU A 35 SER A 36 LYS A 67 SITE *** AC6 10 PHE A 152 THR A 154 TYR A 157 HOH A 401 SITE *** AC6 10 HOH A 402 HOH A 403 CRYST1 58.420 58.420 151.590 90.00 90.00 90.00 P 41 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.017117 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017117 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006597 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 301 TLA H3 : A 301 TLA C3 : A 301 TLA C4 :(H bumps) USER MOD NoAdj-H: A 302 TLA H41 : A 302 TLA O41 : A 302 TLA C4 :(short bond) USER MOD NoAdj-H: A 302 TLA H3 : A 302 TLA C3 : A 302 TLA C4 :(H bumps) USER MOD NoAdj-H: A 302 TLA H2 : A 302 TLA C2 : A 302 TLA C1 :(H bumps) USER MOD NoAdj-H: A 302 TLA H11 : A 302 TLA O11 : A 302 TLA C1 :(short bond) USER MOD Set 1.1: A 93 ASN :FLIP amide:sc= 1.21 F(o=-3.3!,f=1.4) USER MOD Set 1.2: A 196 SER OG : rot 180:sc= 0.164 USER MOD Set 2.1: A 167 THR OG1 : rot -119:sc= 1.04 USER MOD Set 2.2: A 170 SER OG : rot 89:sc= 1.49 USER MOD Set 3.1: A 155 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 160 THR OG1 : rot -170:sc= 0 USER MOD Set 4.1: A 113 ASN : amide:sc= 2.24 K(o=3.3,f=-0.57!) USER MOD Set 4.2: A 115 SER OG : rot -170:sc= 1.06 USER MOD Set 5.1: A 46 ASN : amide:sc= -0.26 K(o=0.048,f=-3.6) USER MOD Set 5.2: A 94 GLN : amide:sc= 0.308 K(o=0.048,f=-0.83) USER MOD Set 6.1: A 54 THR OG1 : rot 112:sc= 2.29 USER MOD Set 6.2: A 68 THR OG1 : rot -86:sc= 1.7 USER MOD Set 6.3: A 86 THR OG1 : rot 168:sc= 0.99 USER MOD Set 6.4: A 109 ASN :FLIP amide:sc= 1.82 F(o=0.67!,f=6.8) USER MOD Set 7.1: A 12 THR OG1 : rot -109:sc= 0.796 USER MOD Set 7.2: A 30 GLN : amide:sc= 0.225 K(o=1.3,f=0.42) USER MOD Set 7.3: A 32 ASN :FLIP amide:sc= 0.296 F(o=-0.64,f=1.3) USER MOD Single : A 1 ALA N :NH3+ -176:sc= 0.87 (180deg=0.861) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.854 K(o=0.85,f=-6.3!) USER MOD Single : A 10 SER OG : rot -108:sc= 0.00783 USER MOD Single : A 11 TYR OH : rot 17:sc= 1.35 USER MOD Single : A 18 SER OG : rot 35:sc= 0.65 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= 0.521 (180deg=0.271) USER MOD Single : A 33 SER OG : rot 79:sc= 0.998 USER MOD Single : A 36 SER OG : rot -154:sc= 0.779 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.546 F(o=-1.4,f=-0.55) USER MOD Single : A 45 THR OG1 : rot 100:sc= 1.28 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0.783 (180deg=0.754) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -27:sc= 1.24 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0387) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 41:sc= 1.9 USER MOD Single : A 91 SER OG : rot -109:sc= 0.934 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -132:sc= 0.995 USER MOD Single : A 104 ASN : amide:sc= -0.132 X(o=-0.13,f=0.19) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl -138:sc= -0.134 (180deg=-0.59) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 130:sc= 0.0459 USER MOD Single : A 133 GLN : amide:sc= -0.758 K(o=-0.76,f=-2.8!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 150 THR OG1 : rot 136:sc= 1.33 USER MOD Single : A 153 GLN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 154 THR OG1 : rot -100:sc= 1.81 USER MOD Single : A 157 TYR OH : rot 171:sc= 1.34 USER MOD Single : A 161 THR OG1 : rot -63:sc= 0.208 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 167:sc= 1.17 (180deg=1.02) USER MOD Single : A 182 SER OG : rot -63:sc= 2 USER MOD Single : A 183 TYR OH : rot 180:sc= 0 USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 THR OG1 : rot 158:sc= 0.323 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot -79:sc= 0.377 USER MOD Single : A 197 SER OG : rot 62:sc= 1.33 USER MOD Single : A 198 ASN : amide:sc= 0.585 K(o=0.59,f=-2.8!) USER MOD Single : A 199 TYR OH : rot 165:sc= 0.77 USER MOD Single : A 202 THR OG1 : rot 86:sc= 0.745 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 301 TLA O11 : rot 167:sc= 0.0313 USER MOD Single : A 301 TLA O2 : rot 180:sc= 0.0254 USER MOD Single : A 301 TLA O3 : rot 60:sc= 0.874 USER MOD Single : A 301 TLA O41 : rot 169:sc= 0.115 USER MOD Single : A 302 TLA O2 : rot -36:sc= 0 USER MOD Single : A 302 TLA O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.820 11.065 -9.791 1.00 30.54 N ATOM 2 CA ALA A 1 -21.427 12.531 -9.996 1.00 30.32 C ATOM 3 C ALA A 1 -20.442 12.498 -11.191 1.00 28.18 C ATOM 4 O ALA A 1 -19.749 11.519 -11.375 1.00 25.26 O ATOM 5 CB ALA A 1 -20.754 13.114 -8.789 1.00 34.87 C ATOM 0 H1 ALA A 1 -22.436 11.009 -9.151 1.00 30.54 H new ATOM 0 H2 ALA A 1 -22.151 10.737 -10.549 1.00 30.54 H new ATOM 0 H3 ALA A 1 -21.102 10.595 -9.554 1.00 30.54 H new ATOM 0 HA ALA A 1 -22.207 13.086 -10.153 1.00 30.32 H new ATOM 0 HB1 ALA A 1 -20.523 14.040 -8.963 1.00 34.87 H new ATOM 0 HB2 ALA A 1 -21.355 13.068 -8.029 1.00 34.87 H new ATOM 0 HB3 ALA A 1 -19.948 12.612 -8.594 1.00 34.87 H new ATOM 6 N THR A 2 -20.433 13.551 -12.012 1.00 24.52 N ATOM 7 CA THR A 2 -19.451 13.606 -13.089 1.00 24.02 C ATOM 8 C THR A 2 -18.429 14.671 -12.669 1.00 22.63 C ATOM 9 O THR A 2 -18.796 15.680 -12.117 1.00 21.06 O ATOM 10 CB THR A 2 -20.030 13.916 -14.480 1.00 30.28 C ATOM 11 OG1 THR A 2 -20.364 15.270 -14.498 1.00 41.11 O ATOM 12 CG2 THR A 2 -21.294 13.201 -14.662 1.00 26.53 C ATOM 0 H THR A 2 -20.969 14.222 -11.964 1.00 24.52 H new ATOM 0 HA THR A 2 -19.057 12.726 -13.200 1.00 24.02 H new ATOM 0 HB THR A 2 -19.385 13.667 -15.161 1.00 30.28 H new ATOM 0 HG1 THR A 2 -20.683 15.470 -15.249 1.00 41.11 H new ATOM 0 HG21 THR A 2 -21.655 13.400 -15.540 1.00 26.53 H new ATOM 0 HG22 THR A 2 -21.140 12.246 -14.585 1.00 26.53 H new ATOM 0 HG23 THR A 2 -21.926 13.482 -13.982 1.00 26.53 H new ATOM 13 N PHE A 3 -17.171 14.379 -12.950 1.00 21.22 N ATOM 14 CA PHE A 3 -16.064 15.351 -12.774 1.00 20.05 C ATOM 15 C PHE A 3 -15.460 15.535 -14.183 1.00 18.91 C ATOM 16 O PHE A 3 -15.127 14.542 -14.839 1.00 21.75 O ATOM 17 CB PHE A 3 -14.989 14.717 -11.916 1.00 19.78 C ATOM 18 CG PHE A 3 -15.340 14.683 -10.462 1.00 20.87 C ATOM 19 CD1 PHE A 3 -16.354 13.791 -9.992 1.00 21.82 C ATOM 20 CD2 PHE A 3 -14.660 15.484 -9.555 1.00 21.35 C ATOM 21 CE1 PHE A 3 -16.633 13.724 -8.621 1.00 25.06 C ATOM 22 CE2 PHE A 3 -14.965 15.430 -8.190 1.00 23.12 C ATOM 23 CZ PHE A 3 -15.971 14.584 -7.747 1.00 22.59 C ATOM 0 H PHE A 3 -16.918 13.614 -13.250 1.00 21.22 H new ATOM 0 HA PHE A 3 -16.371 16.178 -12.371 1.00 20.05 H new ATOM 0 HB2 PHE A 3 -14.828 13.812 -12.225 1.00 19.78 H new ATOM 0 HB3 PHE A 3 -14.160 15.207 -12.031 1.00 19.78 H new ATOM 0 HD1 PHE A 3 -16.825 13.259 -10.592 1.00 21.82 H new ATOM 0 HD2 PHE A 3 -13.996 16.061 -9.857 1.00 21.35 H new ATOM 0 HE1 PHE A 3 -17.254 13.112 -8.297 1.00 25.06 H new ATOM 0 HE2 PHE A 3 -14.496 15.958 -7.584 1.00 23.12 H new ATOM 0 HZ PHE A 3 -16.209 14.591 -6.848 1.00 22.59 H new ATOM 24 N GLU A 4 -15.301 16.752 -14.599 1.00 16.13 N ATOM 25 CA GLU A 4 -14.491 17.010 -15.811 1.00 17.96 C ATOM 26 C GLU A 4 -13.119 17.513 -15.280 1.00 18.30 C ATOM 27 O GLU A 4 -13.068 18.450 -14.468 1.00 18.00 O ATOM 28 CB GLU A 4 -15.151 18.151 -16.580 1.00 19.21 C ATOM 29 CG GLU A 4 -14.443 18.322 -17.912 1.00 20.36 C ATOM 30 CD GLU A 4 -15.042 19.391 -18.865 1.00 25.25 C ATOM 31 OE1 GLU A 4 -15.254 20.500 -18.467 1.00 26.66 O ATOM 32 OE2 GLU A 4 -15.226 19.045 -20.054 1.00 28.86 O ATOM 0 H GLU A 4 -15.634 17.450 -14.223 1.00 16.13 H new ATOM 0 HA GLU A 4 -14.406 16.230 -16.382 1.00 17.96 H new ATOM 0 HB2 GLU A 4 -16.091 17.960 -16.722 1.00 19.21 H new ATOM 0 HB3 GLU A 4 -15.103 18.973 -16.067 1.00 19.21 H new ATOM 0 HG2 GLU A 4 -13.516 18.551 -17.739 1.00 20.36 H new ATOM 0 HG3 GLU A 4 -14.444 17.468 -18.371 1.00 20.36 H new ATOM 33 N ILE A 5 -12.075 16.864 -15.801 1.00 14.74 N ATOM 34 CA ILE A 5 -10.694 17.131 -15.322 1.00 14.66 C ATOM 35 C ILE A 5 -10.058 17.763 -16.593 1.00 16.70 C ATOM 36 O ILE A 5 -9.899 17.128 -17.627 1.00 18.62 O ATOM 37 CB ILE A 5 -10.016 15.813 -14.940 1.00 16.67 C ATOM 38 CG1 ILE A 5 -10.804 15.210 -13.758 1.00 17.61 C ATOM 39 CG2 ILE A 5 -8.574 16.139 -14.499 1.00 16.36 C ATOM 40 CD1 ILE A 5 -10.411 13.758 -13.455 1.00 22.65 C ATOM 0 H ILE A 5 -12.133 16.273 -16.423 1.00 14.74 H new ATOM 0 HA ILE A 5 -10.625 17.693 -14.534 1.00 14.66 H new ATOM 0 HB ILE A 5 -9.999 15.185 -15.679 1.00 16.67 H new ATOM 0 HG12 ILE A 5 -10.656 15.752 -12.967 1.00 17.61 H new ATOM 0 HG13 ILE A 5 -11.753 15.249 -13.955 1.00 17.61 H new ATOM 0 HG21 ILE A 5 -8.118 15.320 -14.250 1.00 16.36 H new ATOM 0 HG22 ILE A 5 -8.099 16.563 -15.231 1.00 16.36 H new ATOM 0 HG23 ILE A 5 -8.596 16.740 -13.738 1.00 16.36 H new ATOM 0 HD11 ILE A 5 -10.934 13.430 -12.707 1.00 22.65 H new ATOM 0 HD12 ILE A 5 -10.582 13.207 -14.235 1.00 22.65 H new ATOM 0 HD13 ILE A 5 -9.468 13.718 -13.231 1.00 22.65 H new ATOM 41 N VAL A 6 -9.636 19.005 -16.406 1.00 15.39 N ATOM 42 CA VAL A 6 -9.139 19.779 -17.567 1.00 14.91 C ATOM 43 C VAL A 6 -7.657 20.179 -17.317 1.00 13.18 C ATOM 44 O VAL A 6 -7.336 20.686 -16.236 1.00 14.34 O ATOM 45 CB VAL A 6 -9.951 21.074 -17.709 1.00 17.20 C ATOM 46 CG1 VAL A 6 -9.370 21.949 -18.885 1.00 16.95 C ATOM 47 CG2 VAL A 6 -11.446 20.777 -17.863 1.00 18.42 C ATOM 0 H VAL A 6 -9.623 19.417 -15.651 1.00 15.39 H new ATOM 0 HA VAL A 6 -9.222 19.236 -18.367 1.00 14.91 H new ATOM 0 HB VAL A 6 -9.866 21.595 -16.895 1.00 17.20 H new ATOM 0 HG11 VAL A 6 -9.888 22.765 -18.968 1.00 16.95 H new ATOM 0 HG12 VAL A 6 -8.445 22.172 -18.696 1.00 16.95 H new ATOM 0 HG13 VAL A 6 -9.419 21.449 -19.715 1.00 16.95 H new ATOM 0 HG21 VAL A 6 -11.934 21.611 -17.951 1.00 18.42 H new ATOM 0 HG22 VAL A 6 -11.589 20.235 -18.654 1.00 18.42 H new ATOM 0 HG23 VAL A 6 -11.763 20.298 -17.082 1.00 18.42 H new ATOM 48 N ASN A 7 -6.769 19.914 -18.289 1.00 13.36 N ATOM 49 CA ASN A 7 -5.370 20.319 -18.105 1.00 14.35 C ATOM 50 C ASN A 7 -5.184 21.648 -18.865 1.00 14.46 C ATOM 51 O ASN A 7 -5.072 21.619 -20.078 1.00 17.12 O ATOM 52 CB ASN A 7 -4.441 19.279 -18.714 1.00 13.95 C ATOM 53 CG ASN A 7 -2.978 19.709 -18.574 1.00 14.89 C ATOM 54 OD1 ASN A 7 -2.732 20.542 -17.723 1.00 15.02 O ATOM 55 ND2 ASN A 7 -2.065 19.135 -19.356 1.00 14.19 N ATOM 0 H ASN A 7 -6.948 19.518 -19.031 1.00 13.36 H new ATOM 0 HA ASN A 7 -5.164 20.409 -17.161 1.00 14.35 H new ATOM 0 HB2 ASN A 7 -4.575 18.424 -18.276 1.00 13.95 H new ATOM 0 HB3 ASN A 7 -4.658 19.155 -19.651 1.00 13.95 H new ATOM 0 HD21 ASN A 7 -1.236 19.348 -19.277 1.00 14.19 H new ATOM 0 HD22 ASN A 7 -2.305 18.551 -19.940 1.00 14.19 H new ATOM 56 N ARG A 8 -5.172 22.775 -18.141 1.00 12.96 N ATOM 57 CA ARG A 8 -4.831 24.073 -18.751 1.00 14.65 C ATOM 58 C ARG A 8 -3.312 24.380 -18.649 1.00 15.41 C ATOM 59 O ARG A 8 -2.850 25.413 -19.169 1.00 16.35 O ATOM 60 CB ARG A 8 -5.720 25.125 -18.100 1.00 16.06 C ATOM 61 CG ARG A 8 -5.603 26.485 -18.773 1.00 16.41 C ATOM 62 CD ARG A 8 -6.583 27.519 -18.201 1.00 17.32 C ATOM 63 NE ARG A 8 -7.955 27.049 -18.422 1.00 18.91 N ATOM 64 CZ ARG A 8 -8.997 27.394 -17.693 1.00 23.26 C ATOM 65 NH1 ARG A 8 -8.861 28.156 -16.575 1.00 21.87 N ATOM 66 NH2 ARG A 8 -10.184 26.867 -17.989 1.00 21.20 N ATOM 0 H ARG A 8 -5.356 22.811 -17.302 1.00 12.96 H new ATOM 0 HA ARG A 8 -5.003 24.065 -19.706 1.00 14.65 H new ATOM 0 HB2 ARG A 8 -6.643 24.829 -18.133 1.00 16.06 H new ATOM 0 HB3 ARG A 8 -5.483 25.210 -17.163 1.00 16.06 H new ATOM 0 HG2 ARG A 8 -4.696 26.814 -18.671 1.00 16.41 H new ATOM 0 HG3 ARG A 8 -5.764 26.385 -19.724 1.00 16.41 H new ATOM 0 HD2 ARG A 8 -6.421 27.646 -17.253 1.00 17.32 H new ATOM 0 HD3 ARG A 8 -6.450 28.379 -18.629 1.00 17.32 H new ATOM 0 HE ARG A 8 -8.089 26.508 -19.077 1.00 18.91 H new ATOM 0 HH11 ARG A 8 -8.082 28.424 -16.329 1.00 21.87 H new ATOM 0 HH12 ARG A 8 -9.554 28.370 -16.113 1.00 21.87 H new ATOM 0 HH21 ARG A 8 -10.258 26.314 -18.644 1.00 21.20 H new ATOM 0 HH22 ARG A 8 -10.876 27.079 -17.525 1.00 21.20 H new ATOM 67 N CYS A 9 -2.503 23.446 -18.154 1.00 14.71 N ATOM 68 CA CYS A 9 -1.061 23.696 -18.092 1.00 15.49 C ATOM 69 C CYS A 9 -0.494 23.623 -19.522 1.00 15.06 C ATOM 70 O CYS A 9 -1.073 22.977 -20.445 1.00 14.95 O ATOM 71 CB CYS A 9 -0.364 22.581 -17.309 1.00 15.58 C ATOM 72 SG CYS A 9 -1.040 22.427 -15.608 1.00 15.40 S ATOM 0 H CYS A 9 -2.758 22.681 -17.856 1.00 14.71 H new ATOM 0 HA CYS A 9 -0.914 24.559 -17.673 1.00 15.49 H new ATOM 0 HB2 CYS A 9 -0.471 21.739 -17.778 1.00 15.58 H new ATOM 0 HB3 CYS A 9 0.588 22.762 -17.265 1.00 15.58 H new ATOM 73 N SER A 10 0.669 24.234 -19.672 1.00 16.65 N ATOM 74 CA SER A 10 1.304 24.146 -20.991 1.00 19.87 C ATOM 75 C SER A 10 2.081 22.858 -21.202 1.00 22.14 C ATOM 76 O SER A 10 2.538 22.617 -22.328 1.00 24.43 O ATOM 77 CB SER A 10 2.177 25.394 -21.227 1.00 21.98 C ATOM 78 OG SER A 10 3.237 25.249 -20.302 1.00 23.80 O ATOM 0 H SER A 10 1.092 24.680 -19.070 1.00 16.65 H new ATOM 0 HA SER A 10 0.598 24.122 -21.656 1.00 19.87 H new ATOM 0 HB2 SER A 10 2.504 25.431 -22.139 1.00 21.98 H new ATOM 0 HB3 SER A 10 1.678 26.211 -21.071 1.00 21.98 H new ATOM 0 HG SER A 10 3.146 25.808 -19.682 1.00 23.80 H new ATOM 79 N TYR A 11 2.156 21.989 -20.188 1.00 19.45 N ATOM 80 CA TYR A 11 2.827 20.743 -20.300 1.00 18.65 C ATOM 81 C TYR A 11 1.797 19.622 -20.062 1.00 18.16 C ATOM 82 O TYR A 11 0.766 19.808 -19.485 1.00 17.66 O ATOM 83 CB TYR A 11 3.938 20.680 -19.157 1.00 19.72 C ATOM 84 CG TYR A 11 3.534 21.123 -17.782 1.00 19.83 C ATOM 85 CD1 TYR A 11 3.719 22.450 -17.400 1.00 19.75 C ATOM 86 CD2 TYR A 11 2.971 20.224 -16.830 1.00 21.15 C ATOM 87 CE1 TYR A 11 3.356 22.908 -16.155 1.00 19.27 C ATOM 88 CE2 TYR A 11 2.591 20.686 -15.600 1.00 21.59 C ATOM 89 CZ TYR A 11 2.771 22.008 -15.236 1.00 19.54 C ATOM 90 OH TYR A 11 2.445 22.473 -13.950 1.00 22.60 O ATOM 0 H TYR A 11 1.806 22.130 -19.415 1.00 19.45 H new ATOM 0 HA TYR A 11 3.236 20.641 -21.174 1.00 18.65 H new ATOM 0 HB2 TYR A 11 4.256 19.765 -19.097 1.00 19.72 H new ATOM 0 HB3 TYR A 11 4.690 21.224 -19.439 1.00 19.72 H new ATOM 0 HD1 TYR A 11 4.100 23.044 -18.006 1.00 19.75 H new ATOM 0 HD2 TYR A 11 2.862 19.326 -17.045 1.00 21.15 H new ATOM 0 HE1 TYR A 11 3.494 23.798 -15.921 1.00 19.27 H new ATOM 0 HE2 TYR A 11 2.202 20.097 -14.994 1.00 21.59 H new ATOM 0 HH TYR A 11 2.431 23.313 -13.951 1.00 22.60 H new ATOM 91 N THR A 12 2.119 18.446 -20.532 1.00 17.51 N ATOM 92 CA THR A 12 1.336 17.240 -20.269 1.00 17.79 C ATOM 93 C THR A 12 1.326 16.839 -18.813 1.00 18.56 C ATOM 94 O THR A 12 2.336 16.870 -18.132 1.00 18.88 O ATOM 95 CB THR A 12 1.873 16.080 -21.095 1.00 21.41 C ATOM 96 OG1 THR A 12 1.885 16.509 -22.481 1.00 23.11 O ATOM 97 CG2 THR A 12 1.001 14.850 -21.003 1.00 19.29 C ATOM 0 H THR A 12 2.811 18.309 -21.024 1.00 17.51 H new ATOM 0 HA THR A 12 0.423 17.450 -20.519 1.00 17.79 H new ATOM 0 HB THR A 12 2.753 15.847 -20.759 1.00 21.41 H new ATOM 0 HG1 THR A 12 1.288 16.099 -22.906 1.00 23.11 H new ATOM 0 HG21 THR A 12 1.383 14.141 -21.544 1.00 19.29 H new ATOM 0 HG22 THR A 12 0.948 14.559 -20.079 1.00 19.29 H new ATOM 0 HG23 THR A 12 0.111 15.059 -21.327 1.00 19.29 H new ATOM 98 N VAL A 13 0.166 16.394 -18.371 1.00 15.67 N ATOM 99 CA VAL A 13 0.031 15.778 -17.045 1.00 16.18 C ATOM 100 C VAL A 13 -0.660 14.473 -17.234 1.00 17.31 C ATOM 101 O VAL A 13 -1.376 14.277 -18.226 1.00 17.92 O ATOM 102 CB VAL A 13 -0.642 16.687 -15.970 1.00 17.09 C ATOM 103 CG1 VAL A 13 0.083 18.081 -15.837 1.00 17.96 C ATOM 104 CG2 VAL A 13 -2.134 16.866 -16.228 1.00 18.40 C ATOM 0 H VAL A 13 -0.566 16.435 -18.820 1.00 15.67 H new ATOM 0 HA VAL A 13 0.915 15.640 -16.670 1.00 16.18 H new ATOM 0 HB VAL A 13 -0.546 16.227 -15.121 1.00 17.09 H new ATOM 0 HG11 VAL A 13 -0.363 18.615 -15.161 1.00 17.96 H new ATOM 0 HG12 VAL A 13 1.008 17.942 -15.579 1.00 17.96 H new ATOM 0 HG13 VAL A 13 0.051 18.545 -16.688 1.00 17.96 H new ATOM 0 HG21 VAL A 13 -2.515 17.435 -15.541 1.00 18.40 H new ATOM 0 HG22 VAL A 13 -2.265 17.276 -17.097 1.00 18.40 H new ATOM 0 HG23 VAL A 13 -2.572 16.001 -16.210 1.00 18.40 H new ATOM 105 N TRP A 14 -0.453 13.599 -16.250 1.00 13.92 N ATOM 106 CA TRP A 14 -1.165 12.344 -16.226 1.00 15.17 C ATOM 107 C TRP A 14 -2.122 12.446 -15.045 1.00 16.58 C ATOM 108 O TRP A 14 -1.729 12.377 -13.869 1.00 15.57 O ATOM 109 CB TRP A 14 -0.205 11.190 -16.102 1.00 15.36 C ATOM 110 CG TRP A 14 0.536 10.954 -17.429 1.00 18.19 C ATOM 111 CD1 TRP A 14 0.239 9.965 -18.357 1.00 20.51 C ATOM 112 CD2 TRP A 14 1.621 11.706 -17.978 1.00 17.09 C ATOM 113 NE1 TRP A 14 1.138 10.023 -19.399 1.00 19.54 N ATOM 114 CE2 TRP A 14 1.965 11.091 -19.233 1.00 18.00 C ATOM 115 CE3 TRP A 14 2.404 12.781 -17.523 1.00 17.03 C ATOM 116 CZ2 TRP A 14 3.034 11.536 -20.023 1.00 20.52 C ATOM 117 CZ3 TRP A 14 3.403 13.281 -18.382 1.00 17.42 C ATOM 118 CH2 TRP A 14 3.723 12.647 -19.585 1.00 18.49 C ATOM 0 H TRP A 14 0.092 13.720 -15.596 1.00 13.92 H new ATOM 0 HA TRP A 14 -1.655 12.178 -17.046 1.00 15.17 H new ATOM 0 HB2 TRP A 14 0.436 11.371 -15.396 1.00 15.36 H new ATOM 0 HB3 TRP A 14 -0.688 10.388 -15.849 1.00 15.36 H new ATOM 0 HD1 TRP A 14 -0.460 9.356 -18.286 1.00 20.51 H new ATOM 0 HE1 TRP A 14 1.172 9.468 -20.055 1.00 19.54 H new ATOM 0 HE3 TRP A 14 2.267 13.151 -16.681 1.00 17.03 H new ATOM 0 HZ2 TRP A 14 3.269 11.100 -20.810 1.00 20.52 H new ATOM 0 HZ3 TRP A 14 3.861 14.054 -18.142 1.00 17.42 H new ATOM 0 HH2 TRP A 14 4.418 12.983 -20.103 1.00 18.49 H new ATOM 119 N ALA A 15 -3.414 12.631 -15.307 1.00 14.76 N ATOM 120 CA ALA A 15 -4.345 12.786 -14.238 1.00 15.18 C ATOM 121 C ALA A 15 -4.539 11.411 -13.564 1.00 13.84 C ATOM 122 O ALA A 15 -4.321 10.376 -14.212 1.00 16.22 O ATOM 123 CB ALA A 15 -5.684 13.280 -14.805 1.00 16.92 C ATOM 0 H ALA A 15 -3.754 12.667 -16.096 1.00 14.76 H new ATOM 0 HA ALA A 15 -4.018 13.430 -13.590 1.00 15.18 H new ATOM 0 HB1 ALA A 15 -6.322 13.387 -14.082 1.00 16.92 H new ATOM 0 HB2 ALA A 15 -5.553 14.132 -15.249 1.00 16.92 H new ATOM 0 HB3 ALA A 15 -6.024 12.633 -15.442 1.00 16.92 H new ATOM 124 N ALA A 16 -4.950 11.448 -12.296 1.00 14.84 N ATOM 125 CA ALA A 16 -5.203 10.236 -11.484 1.00 16.06 C ATOM 126 C ALA A 16 -6.436 10.447 -10.634 1.00 16.94 C ATOM 127 O ALA A 16 -6.732 11.583 -10.189 1.00 16.75 O ATOM 128 CB ALA A 16 -3.991 9.934 -10.591 1.00 17.77 C ATOM 0 H ALA A 16 -5.094 12.182 -11.871 1.00 14.84 H new ATOM 0 HA ALA A 16 -5.347 9.480 -12.075 1.00 16.06 H new ATOM 0 HB1 ALA A 16 -4.167 9.139 -10.064 1.00 17.77 H new ATOM 0 HB2 ALA A 16 -3.209 9.787 -11.146 1.00 17.77 H new ATOM 0 HB3 ALA A 16 -3.830 10.685 -9.999 1.00 17.77 H new ATOM 129 N ALA A 17 -7.214 9.347 -10.438 1.00 16.30 N ATOM 130 CA ALA A 17 -8.427 9.458 -9.611 1.00 16.68 C ATOM 131 C ALA A 17 -8.544 8.112 -8.843 1.00 19.28 C ATOM 132 O ALA A 17 -8.622 7.071 -9.490 1.00 20.84 O ATOM 133 CB ALA A 17 -9.655 9.693 -10.512 1.00 18.11 C ATOM 0 H ALA A 17 -7.058 8.566 -10.763 1.00 16.30 H new ATOM 0 HA ALA A 17 -8.381 10.205 -8.994 1.00 16.68 H new ATOM 0 HB1 ALA A 17 -10.451 9.765 -9.962 1.00 18.11 H new ATOM 0 HB2 ALA A 17 -9.535 10.513 -11.016 1.00 18.11 H new ATOM 0 HB3 ALA A 17 -9.753 8.949 -11.126 1.00 18.11 H new ATOM 134 N SER A 18 -8.565 8.170 -7.532 1.00 16.51 N ATOM 135 CA SER A 18 -8.589 6.917 -6.718 1.00 20.55 C ATOM 136 C SER A 18 -9.354 7.178 -5.428 1.00 22.26 C ATOM 137 O SER A 18 -9.432 8.339 -4.977 1.00 19.15 O ATOM 138 CB SER A 18 -7.151 6.530 -6.365 1.00 22.25 C ATOM 139 OG SER A 18 -7.016 5.433 -5.437 1.00 29.75 O ATOM 0 H SER A 18 -8.566 8.899 -7.076 1.00 16.51 H new ATOM 0 HA SER A 18 -9.015 6.205 -7.220 1.00 20.55 H new ATOM 0 HB2 SER A 18 -6.683 6.301 -7.183 1.00 22.25 H new ATOM 0 HB3 SER A 18 -6.705 7.306 -5.992 1.00 22.25 H new ATOM 0 HG SER A 18 -7.634 4.879 -5.567 1.00 29.75 H new ATOM 140 N LYS A 19 -9.858 6.097 -4.778 1.00 22.45 N ATOM 141 CA LYS A 19 -10.292 6.257 -3.401 1.00 21.86 C ATOM 142 C LYS A 19 -9.394 5.472 -2.439 1.00 27.04 C ATOM 143 O LYS A 19 -9.813 5.247 -1.329 1.00 30.16 O ATOM 144 CB LYS A 19 -11.797 5.915 -3.249 1.00 26.05 C ATOM 145 CG LYS A 19 -12.160 4.466 -3.573 1.00 32.77 C ATOM 146 CD LYS A 19 -13.683 4.306 -3.409 1.00 38.18 C ATOM 147 CE LYS A 19 -14.149 2.874 -3.581 1.00 46.65 C ATOM 148 NZ LYS A 19 -13.619 2.118 -2.393 1.00 52.13 N ATOM 0 H LYS A 19 -9.947 5.309 -5.111 1.00 22.45 H new ATOM 0 HA LYS A 19 -10.197 7.190 -3.155 1.00 21.86 H new ATOM 0 HB2 LYS A 19 -12.069 6.108 -2.338 1.00 26.05 H new ATOM 0 HB3 LYS A 19 -12.309 6.501 -3.828 1.00 26.05 H new ATOM 0 HG2 LYS A 19 -11.892 4.244 -4.478 1.00 32.77 H new ATOM 0 HG3 LYS A 19 -11.690 3.858 -2.981 1.00 32.77 H new ATOM 0 HD2 LYS A 19 -13.944 4.622 -2.530 1.00 38.18 H new ATOM 0 HD3 LYS A 19 -14.134 4.868 -4.058 1.00 38.18 H new ATOM 0 HE2 LYS A 19 -15.117 2.826 -3.619 1.00 46.65 H new ATOM 0 HE3 LYS A 19 -13.814 2.497 -4.410 1.00 46.65 H new ATOM 0 HZ1 LYS A 19 -14.037 1.335 -2.328 1.00 52.13 H new ATOM 0 HZ2 LYS A 19 -12.746 1.980 -2.494 1.00 52.13 H new ATOM 0 HZ3 LYS A 19 -13.760 2.591 -1.653 1.00 52.13 H new ATOM 149 N GLY A 20 -8.154 5.137 -2.831 1.00 26.05 N ATOM 150 CA GLY A 20 -7.134 4.608 -1.914 1.00 30.36 C ATOM 151 C GLY A 20 -7.021 3.099 -2.052 1.00 32.12 C ATOM 152 O GLY A 20 -5.920 2.549 -2.028 1.00 31.44 O ATOM 0 H GLY A 20 -7.882 5.212 -3.643 1.00 26.05 H new ATOM 0 HA2 GLY A 20 -6.277 5.020 -2.104 1.00 30.36 H new ATOM 0 HA3 GLY A 20 -7.363 4.838 -1.000 1.00 30.36 H new ATOM 153 N ASP A 21 -8.170 2.424 -2.227 1.00 34.22 N ATOM 154 CA ASP A 21 -8.122 0.985 -2.431 1.00 33.73 C ATOM 155 C ASP A 21 -8.702 0.578 -3.772 1.00 36.23 C ATOM 156 O ASP A 21 -8.877 -0.593 -4.034 1.00 35.19 O ATOM 157 CB ASP A 21 -8.865 0.332 -1.263 1.00 38.34 C ATOM 158 CG ASP A 21 -10.320 0.771 -1.174 1.00 43.60 C ATOM 159 OD1 ASP A 21 -10.812 1.651 -1.915 1.00 42.44 O ATOM 160 OD2 ASP A 21 -11.043 0.176 -0.365 1.00 56.49 O ATOM 0 H ASP A 21 -8.956 2.774 -2.230 1.00 34.22 H new ATOM 0 HA ASP A 21 -7.200 0.684 -2.451 1.00 33.73 H new ATOM 0 HB2 ASP A 21 -8.827 -0.632 -1.359 1.00 38.34 H new ATOM 0 HB3 ASP A 21 -8.413 0.552 -0.433 1.00 38.34 H new ATOM 161 N ALA A 22 -8.994 1.530 -4.658 1.00 28.71 N ATOM 162 CA ALA A 22 -9.620 1.231 -5.934 1.00 29.19 C ATOM 163 C ALA A 22 -9.461 2.488 -6.792 1.00 24.81 C ATOM 164 O ALA A 22 -9.522 3.661 -6.242 1.00 25.82 O ATOM 165 CB ALA A 22 -11.119 0.973 -5.752 1.00 26.51 C ATOM 0 H ALA A 22 -8.833 2.365 -4.532 1.00 28.71 H new ATOM 0 HA ALA A 22 -9.214 0.446 -6.333 1.00 29.19 H new ATOM 0 HB1 ALA A 22 -11.520 0.775 -6.613 1.00 26.51 H new ATOM 0 HB2 ALA A 22 -11.248 0.219 -5.155 1.00 26.51 H new ATOM 0 HB3 ALA A 22 -11.539 1.761 -5.373 1.00 26.51 H new ATOM 166 N ALA A 23 -9.368 2.236 -8.088 1.00 21.39 N ATOM 167 CA ALA A 23 -9.488 3.321 -9.095 1.00 24.09 C ATOM 168 C ALA A 23 -10.882 3.956 -9.052 1.00 29.22 C ATOM 169 O ALA A 23 -11.874 3.258 -8.751 1.00 29.77 O ATOM 170 CB ALA A 23 -9.212 2.783 -10.490 1.00 25.20 C ATOM 0 H ALA A 23 -9.236 1.453 -8.419 1.00 21.39 H new ATOM 0 HA ALA A 23 -8.831 4.001 -8.880 1.00 24.09 H new ATOM 0 HB1 ALA A 23 -9.294 3.502 -11.136 1.00 25.20 H new ATOM 0 HB2 ALA A 23 -8.314 2.418 -10.525 1.00 25.20 H new ATOM 0 HB3 ALA A 23 -9.852 2.085 -10.700 1.00 25.20 H new ATOM 171 N LEU A 24 -10.990 5.262 -9.336 1.00 23.61 N ATOM 172 CA LEU A 24 -12.275 5.884 -9.712 1.00 21.88 C ATOM 173 C LEU A 24 -12.298 5.984 -11.263 1.00 22.69 C ATOM 174 O LEU A 24 -11.372 6.496 -11.920 1.00 23.69 O ATOM 175 CB LEU A 24 -12.390 7.284 -9.138 1.00 21.26 C ATOM 176 CG LEU A 24 -12.427 7.290 -7.597 1.00 27.44 C ATOM 177 CD1 LEU A 24 -12.496 8.783 -7.147 1.00 25.75 C ATOM 178 CD2 LEU A 24 -13.551 6.394 -7.002 1.00 25.64 C ATOM 0 H LEU A 24 -10.327 5.810 -9.317 1.00 23.61 H new ATOM 0 HA LEU A 24 -13.009 5.351 -9.368 1.00 21.88 H new ATOM 0 HB2 LEU A 24 -11.639 7.818 -9.442 1.00 21.26 H new ATOM 0 HB3 LEU A 24 -13.194 7.705 -9.479 1.00 21.26 H new ATOM 0 HG LEU A 24 -11.622 6.882 -7.241 1.00 27.44 H new ATOM 0 HD11 LEU A 24 -12.521 8.828 -6.178 1.00 25.75 H new ATOM 0 HD12 LEU A 24 -11.714 9.256 -7.472 1.00 25.75 H new ATOM 0 HD13 LEU A 24 -13.296 9.194 -7.510 1.00 25.75 H new ATOM 0 HD21 LEU A 24 -13.523 6.439 -6.033 1.00 25.64 H new ATOM 0 HD22 LEU A 24 -14.414 6.707 -7.315 1.00 25.64 H new ATOM 0 HD23 LEU A 24 -13.418 5.476 -7.286 1.00 25.64 H new ATOM 179 N ASP A 25 -13.336 5.405 -11.865 1.00 24.94 N ATOM 180 CA ASP A 25 -13.425 5.330 -13.301 1.00 23.73 C ATOM 181 C ASP A 25 -12.184 4.576 -13.792 1.00 24.60 C ATOM 182 O ASP A 25 -11.757 3.609 -13.112 1.00 24.15 O ATOM 183 CB ASP A 25 -13.649 6.734 -13.846 1.00 28.81 C ATOM 184 CG ASP A 25 -14.214 6.755 -15.280 1.00 30.53 C ATOM 185 OD1 ASP A 25 -13.459 6.465 -16.236 1.00 30.47 O ATOM 186 OD2 ASP A 25 -15.369 7.196 -15.457 1.00 29.47 O ATOM 0 H ASP A 25 -13.999 5.050 -11.447 1.00 24.94 H new ATOM 0 HA ASP A 25 -14.183 4.825 -13.634 1.00 23.73 H new ATOM 0 HB2 ASP A 25 -14.259 7.207 -13.259 1.00 28.81 H new ATOM 0 HB3 ASP A 25 -12.808 7.217 -13.830 1.00 28.81 H new ATOM 187 N ALA A 26 -11.544 5.049 -14.864 1.00 21.86 N ATOM 188 CA ALA A 26 -10.336 4.366 -15.374 1.00 24.89 C ATOM 189 C ALA A 26 -9.100 4.510 -14.458 1.00 23.55 C ATOM 190 O ALA A 26 -8.119 3.847 -14.672 1.00 29.27 O ATOM 191 CB ALA A 26 -10.008 4.862 -16.790 1.00 24.79 C ATOM 0 H ALA A 26 -11.781 5.748 -15.306 1.00 21.86 H new ATOM 0 HA ALA A 26 -10.548 3.420 -15.391 1.00 24.89 H new ATOM 0 HB1 ALA A 26 -9.215 4.409 -17.116 1.00 24.79 H new ATOM 0 HB2 ALA A 26 -10.754 4.672 -17.380 1.00 24.79 H new ATOM 0 HB3 ALA A 26 -9.848 5.818 -16.769 1.00 24.79 H new ATOM 192 N GLY A 27 -9.168 5.406 -13.489 1.00 21.52 N ATOM 193 CA GLY A 27 -8.092 5.640 -12.521 1.00 19.89 C ATOM 194 C GLY A 27 -6.968 6.557 -13.033 1.00 22.82 C ATOM 195 O GLY A 27 -6.294 7.142 -12.239 1.00 19.72 O ATOM 0 H GLY A 27 -9.854 5.910 -13.367 1.00 21.52 H new ATOM 0 HA2 GLY A 27 -8.472 6.030 -11.718 1.00 19.89 H new ATOM 0 HA3 GLY A 27 -7.708 4.786 -12.267 1.00 19.89 H new ATOM 196 N GLY A 28 -6.729 6.686 -14.314 1.00 18.61 N ATOM 197 CA GLY A 28 -5.686 7.638 -14.778 1.00 18.89 C ATOM 198 C GLY A 28 -5.703 7.761 -16.288 1.00 20.25 C ATOM 199 O GLY A 28 -6.105 6.848 -17.005 1.00 22.85 O ATOM 0 H GLY A 28 -7.136 6.254 -14.937 1.00 18.61 H new ATOM 0 HA2 GLY A 28 -5.835 8.508 -14.377 1.00 18.89 H new ATOM 0 HA3 GLY A 28 -4.812 7.336 -14.484 1.00 18.89 H new ATOM 200 N ARG A 29 -5.194 8.885 -16.783 1.00 17.11 N ATOM 201 CA ARG A 29 -5.116 9.082 -18.227 1.00 18.60 C ATOM 202 C ARG A 29 -4.125 10.197 -18.518 1.00 17.95 C ATOM 203 O ARG A 29 -3.946 11.071 -17.697 1.00 18.59 O ATOM 204 CB ARG A 29 -6.512 9.603 -18.672 1.00 22.25 C ATOM 205 CG ARG A 29 -6.791 9.025 -20.039 1.00 29.62 C ATOM 206 CD ARG A 29 -7.858 9.886 -20.677 1.00 25.62 C ATOM 207 NE ARG A 29 -7.263 11.035 -21.316 1.00 25.62 N ATOM 208 CZ ARG A 29 -7.983 11.835 -22.091 1.00 24.93 C ATOM 209 NH1 ARG A 29 -9.304 11.536 -22.240 1.00 22.71 N ATOM 210 NH2 ARG A 29 -7.378 12.898 -22.716 1.00 23.23 N ATOM 0 H ARG A 29 -4.893 9.536 -16.309 1.00 17.11 H new ATOM 0 HA ARG A 29 -4.854 8.263 -18.676 1.00 18.60 H new ATOM 0 HB2 ARG A 29 -7.196 9.332 -18.040 1.00 22.25 H new ATOM 0 HB3 ARG A 29 -6.522 10.572 -18.702 1.00 22.25 H new ATOM 0 HG2 ARG A 29 -5.986 9.020 -20.580 1.00 29.62 H new ATOM 0 HG3 ARG A 29 -7.090 8.105 -19.968 1.00 29.62 H new ATOM 0 HD2 ARG A 29 -8.354 9.367 -21.329 1.00 25.62 H new ATOM 0 HD3 ARG A 29 -8.493 10.176 -20.004 1.00 25.62 H new ATOM 0 HE ARG A 29 -6.429 11.204 -21.192 1.00 25.62 H new ATOM 0 HH11 ARG A 29 -9.638 10.852 -21.839 1.00 22.71 H new ATOM 0 HH12 ARG A 29 -9.804 12.031 -22.735 1.00 22.71 H new ATOM 0 HH21 ARG A 29 -6.538 13.041 -22.604 1.00 23.23 H new ATOM 0 HH22 ARG A 29 -7.840 13.420 -23.220 1.00 23.23 H new ATOM 211 N GLN A 30 -3.493 10.132 -19.655 1.00 16.54 N ATOM 212 CA GLN A 30 -2.708 11.275 -20.145 1.00 16.53 C ATOM 213 C GLN A 30 -3.568 12.433 -20.588 1.00 17.41 C ATOM 214 O GLN A 30 -4.613 12.243 -21.228 1.00 19.49 O ATOM 215 CB GLN A 30 -1.834 10.800 -21.322 1.00 17.82 C ATOM 216 CG GLN A 30 -0.902 11.920 -21.808 1.00 19.54 C ATOM 217 CD GLN A 30 0.013 11.390 -22.911 1.00 24.25 C ATOM 218 OE1 GLN A 30 0.478 10.284 -22.884 1.00 29.95 O ATOM 219 NE2 GLN A 30 0.230 12.187 -23.873 1.00 28.66 N ATOM 0 H GLN A 30 -3.493 9.445 -20.173 1.00 16.54 H new ATOM 0 HA GLN A 30 -2.163 11.598 -19.410 1.00 16.53 H new ATOM 0 HB2 GLN A 30 -1.307 10.033 -21.048 1.00 17.82 H new ATOM 0 HB3 GLN A 30 -2.401 10.508 -22.052 1.00 17.82 H new ATOM 0 HG2 GLN A 30 -1.425 12.666 -22.141 1.00 19.54 H new ATOM 0 HG3 GLN A 30 -0.371 12.254 -21.068 1.00 19.54 H new ATOM 0 HE21 GLN A 30 -0.116 12.974 -23.866 1.00 28.66 H new ATOM 0 HE22 GLN A 30 0.724 11.940 -24.533 1.00 28.66 H new ATOM 220 N LEU A 31 -3.218 13.637 -20.168 1.00 14.59 N ATOM 221 CA LEU A 31 -3.932 14.860 -20.662 1.00 15.46 C ATOM 222 C LEU A 31 -2.880 15.791 -21.216 1.00 15.66 C ATOM 223 O LEU A 31 -2.095 16.404 -20.471 1.00 15.65 O ATOM 224 CB LEU A 31 -4.666 15.634 -19.520 1.00 16.17 C ATOM 225 CG LEU A 31 -5.863 14.937 -18.896 1.00 21.46 C ATOM 226 CD1 LEU A 31 -6.314 15.759 -17.714 1.00 21.43 C ATOM 227 CD2 LEU A 31 -7.015 15.001 -19.846 1.00 26.47 C ATOM 0 H LEU A 31 -2.584 13.791 -19.607 1.00 14.59 H new ATOM 0 HA LEU A 31 -4.593 14.581 -21.314 1.00 15.46 H new ATOM 0 HB2 LEU A 31 -4.023 15.823 -18.818 1.00 16.17 H new ATOM 0 HB3 LEU A 31 -4.961 16.489 -19.872 1.00 16.17 H new ATOM 0 HG LEU A 31 -5.618 14.027 -18.667 1.00 21.46 H new ATOM 0 HD11 LEU A 31 -7.080 15.334 -17.297 1.00 21.43 H new ATOM 0 HD12 LEU A 31 -5.591 15.825 -17.071 1.00 21.43 H new ATOM 0 HD13 LEU A 31 -6.562 16.648 -18.013 1.00 21.43 H new ATOM 0 HD21 LEU A 31 -7.783 14.557 -19.454 1.00 26.47 H new ATOM 0 HD22 LEU A 31 -7.235 15.928 -20.026 1.00 26.47 H new ATOM 0 HD23 LEU A 31 -6.776 14.559 -20.675 1.00 26.47 H new ATOM 228 N ASN A 32 -2.872 15.958 -22.531 1.00 13.26 N ATOM 229 CA ASN A 32 -2.040 16.998 -23.117 1.00 14.89 C ATOM 230 C ASN A 32 -2.648 18.328 -22.831 1.00 14.41 C ATOM 231 O ASN A 32 -3.788 18.444 -22.273 1.00 16.88 O ATOM 232 CB ASN A 32 -1.991 16.737 -24.652 1.00 17.77 C ATOM 233 CG ASN A 32 -1.291 15.441 -24.974 1.00 22.34 C ATOM 234 OD1 ASN A 32 -0.264 15.122 -24.280 1.00 33.82 O flip ATOM 235 ND2 ASN A 32 -1.691 14.749 -25.864 1.00 21.64 N flip ATOM 0 H ASN A 32 -3.329 15.492 -23.091 1.00 13.26 H new ATOM 0 HA ASN A 32 -1.143 16.988 -22.748 1.00 14.89 H new ATOM 0 HB2 ASN A 32 -2.894 16.714 -25.006 1.00 17.77 H new ATOM 0 HB3 ASN A 32 -1.533 17.471 -25.091 1.00 17.77 H new ATOM 0 HD21 ASN A 32 -2.384 14.986 -26.315 1.00 21.64 H new ATOM 0 HD22 ASN A 32 -1.286 14.014 -26.053 1.00 21.64 H new ATOM 236 N SER A 33 -1.850 19.367 -23.040 1.00 13.78 N ATOM 237 CA SER A 33 -2.325 20.736 -22.810 1.00 14.64 C ATOM 238 C SER A 33 -3.628 21.068 -23.523 1.00 15.82 C ATOM 239 O SER A 33 -3.686 20.948 -24.765 1.00 16.53 O ATOM 240 CB SER A 33 -1.243 21.717 -23.290 1.00 16.74 C ATOM 241 OG SER A 33 -1.686 23.020 -23.085 1.00 18.11 O ATOM 0 H SER A 33 -1.036 19.308 -23.312 1.00 13.78 H new ATOM 0 HA SER A 33 -2.499 20.814 -21.859 1.00 14.64 H new ATOM 0 HB2 SER A 33 -0.416 21.565 -22.807 1.00 16.74 H new ATOM 0 HB3 SER A 33 -1.053 21.572 -24.230 1.00 16.74 H new ATOM 0 HG SER A 33 -1.583 23.227 -22.278 1.00 18.11 H new ATOM 242 N GLY A 34 -4.627 21.426 -22.735 1.00 14.23 N ATOM 243 CA GLY A 34 -5.977 21.709 -23.275 1.00 15.12 C ATOM 244 C GLY A 34 -6.990 20.564 -23.183 1.00 13.96 C ATOM 245 O GLY A 34 -8.189 20.816 -23.386 1.00 16.76 O ATOM 0 H GLY A 34 -4.559 21.515 -21.882 1.00 14.23 H new ATOM 0 HA2 GLY A 34 -6.339 22.476 -22.805 1.00 15.12 H new ATOM 0 HA3 GLY A 34 -5.887 21.963 -24.207 1.00 15.12 H new ATOM 246 N GLU A 35 -6.519 19.330 -23.020 1.00 13.98 N ATOM 247 CA GLU A 35 -7.421 18.192 -23.036 1.00 14.63 C ATOM 248 C GLU A 35 -8.266 18.088 -21.766 1.00 15.62 C ATOM 249 O GLU A 35 -7.863 18.579 -20.653 1.00 16.58 O ATOM 250 CB GLU A 35 -6.640 16.896 -23.195 1.00 14.06 C ATOM 251 CG GLU A 35 -6.057 16.795 -24.598 1.00 16.05 C ATOM 252 CD GLU A 35 -5.444 15.424 -24.854 1.00 17.34 C ATOM 253 OE1 GLU A 35 -4.949 14.676 -23.987 1.00 17.79 O ATOM 254 OE2 GLU A 35 -5.593 15.004 -26.043 1.00 22.50 O ATOM 0 H GLU A 35 -5.690 19.135 -22.900 1.00 13.98 H new ATOM 0 HA GLU A 35 -8.016 18.331 -23.790 1.00 14.63 H new ATOM 0 HB2 GLU A 35 -5.927 16.859 -22.539 1.00 14.06 H new ATOM 0 HB3 GLU A 35 -7.221 16.138 -23.025 1.00 14.06 H new ATOM 0 HG2 GLU A 35 -6.753 16.966 -25.251 1.00 16.05 H new ATOM 0 HG3 GLU A 35 -5.381 17.480 -24.718 1.00 16.05 H new ATOM 255 N SER A 36 -9.449 17.499 -21.929 1.00 16.20 N ATOM 256 CA SER A 36 -10.442 17.346 -20.813 1.00 16.65 C ATOM 257 C SER A 36 -10.811 15.879 -20.756 1.00 20.39 C ATOM 258 O SER A 36 -10.889 15.185 -21.762 1.00 20.02 O ATOM 259 CB SER A 36 -11.719 18.142 -21.120 1.00 20.39 C ATOM 260 OG SER A 36 -11.458 19.528 -21.320 1.00 18.49 O ATOM 0 H SER A 36 -9.715 17.172 -22.679 1.00 16.20 H new ATOM 0 HA SER A 36 -10.061 17.667 -19.980 1.00 16.65 H new ATOM 0 HB2 SER A 36 -12.142 17.777 -21.913 1.00 20.39 H new ATOM 0 HB3 SER A 36 -12.347 18.036 -20.389 1.00 20.39 H new ATOM 0 HG SER A 36 -12.148 19.972 -21.139 1.00 18.49 H new ATOM 261 N TRP A 37 -10.979 15.379 -19.535 1.00 17.73 N ATOM 262 CA TRP A 37 -11.271 13.957 -19.327 1.00 17.67 C ATOM 263 C TRP A 37 -12.480 13.946 -18.412 1.00 18.89 C ATOM 264 O TRP A 37 -12.487 14.520 -17.351 1.00 19.08 O ATOM 265 CB TRP A 37 -10.054 13.262 -18.707 1.00 19.10 C ATOM 266 CG TRP A 37 -10.257 11.824 -18.303 1.00 23.69 C ATOM 267 CD1 TRP A 37 -11.002 10.852 -18.955 1.00 24.69 C ATOM 268 CD2 TRP A 37 -9.660 11.194 -17.141 1.00 23.12 C ATOM 269 NE1 TRP A 37 -10.878 9.653 -18.232 1.00 25.73 N ATOM 270 CE2 TRP A 37 -10.072 9.823 -17.156 1.00 24.55 C ATOM 271 CE3 TRP A 37 -8.832 11.660 -16.103 1.00 21.31 C ATOM 272 CZ2 TRP A 37 -9.694 8.913 -16.143 1.00 23.46 C ATOM 273 CZ3 TRP A 37 -8.460 10.766 -15.066 1.00 25.27 C ATOM 274 CH2 TRP A 37 -8.909 9.396 -15.109 1.00 24.20 C ATOM 0 H TRP A 37 -10.929 15.843 -18.813 1.00 17.73 H new ATOM 0 HA TRP A 37 -11.457 13.475 -20.148 1.00 17.67 H new ATOM 0 HB2 TRP A 37 -9.321 13.302 -19.342 1.00 19.10 H new ATOM 0 HB3 TRP A 37 -9.779 13.765 -17.924 1.00 19.10 H new ATOM 0 HD1 TRP A 37 -11.496 10.973 -19.733 1.00 24.69 H new ATOM 0 HE1 TRP A 37 -11.261 8.913 -18.444 1.00 25.73 H new ATOM 0 HE3 TRP A 37 -8.533 12.541 -16.097 1.00 21.31 H new ATOM 0 HZ2 TRP A 37 -9.962 8.023 -16.170 1.00 23.46 H new ATOM 0 HZ3 TRP A 37 -7.929 11.062 -14.362 1.00 25.27 H new ATOM 0 HH2 TRP A 37 -8.664 8.819 -14.422 1.00 24.20 H new ATOM 275 N THR A 38 -13.575 13.321 -18.876 1.00 18.30 N ATOM 276 CA THR A 38 -14.780 13.277 -18.059 1.00 20.14 C ATOM 277 C THR A 38 -14.905 11.882 -17.404 1.00 20.77 C ATOM 278 O THR A 38 -14.819 10.813 -18.084 1.00 23.86 O ATOM 279 CB THR A 38 -16.034 13.541 -18.939 1.00 25.84 C ATOM 280 OG1 THR A 38 -15.956 14.889 -19.354 1.00 27.82 O ATOM 281 CG2 THR A 38 -17.296 13.482 -18.062 1.00 32.99 C ATOM 0 H THR A 38 -13.633 12.930 -19.640 1.00 18.30 H new ATOM 0 HA THR A 38 -14.721 13.961 -17.374 1.00 20.14 H new ATOM 0 HB THR A 38 -16.070 12.898 -19.665 1.00 25.84 H new ATOM 0 HG1 THR A 38 -16.619 15.073 -19.836 1.00 27.82 H new ATOM 0 HG21 THR A 38 -18.079 13.647 -18.610 1.00 32.99 H new ATOM 0 HG22 THR A 38 -17.366 12.605 -17.654 1.00 32.99 H new ATOM 0 HG23 THR A 38 -17.240 14.157 -17.368 1.00 32.99 H new ATOM 282 N ILE A 39 -15.021 11.896 -16.089 1.00 21.87 N ATOM 283 CA ILE A 39 -15.164 10.648 -15.357 1.00 21.99 C ATOM 284 C ILE A 39 -16.455 10.607 -14.583 1.00 22.45 C ATOM 285 O ILE A 39 -16.973 11.619 -14.195 1.00 21.51 O ATOM 286 CB ILE A 39 -13.967 10.355 -14.403 1.00 20.84 C ATOM 287 CG1 ILE A 39 -13.896 11.325 -13.233 1.00 20.72 C ATOM 288 CG2 ILE A 39 -12.659 10.233 -15.230 1.00 24.09 C ATOM 289 CD1 ILE A 39 -12.871 10.886 -12.155 1.00 21.53 C ATOM 0 H ILE A 39 -15.020 12.606 -15.604 1.00 21.87 H new ATOM 0 HA ILE A 39 -15.174 9.951 -16.032 1.00 21.99 H new ATOM 0 HB ILE A 39 -14.106 9.497 -13.971 1.00 20.84 H new ATOM 0 HG12 ILE A 39 -13.657 12.206 -13.562 1.00 20.72 H new ATOM 0 HG13 ILE A 39 -14.774 11.402 -12.827 1.00 20.72 H new ATOM 0 HG21 ILE A 39 -11.915 10.051 -14.635 1.00 24.09 H new ATOM 0 HG22 ILE A 39 -12.746 9.508 -15.869 1.00 24.09 H new ATOM 0 HG23 ILE A 39 -12.497 11.064 -15.704 1.00 24.09 H new ATOM 0 HD11 ILE A 39 -12.863 11.534 -11.433 1.00 21.53 H new ATOM 0 HD12 ILE A 39 -13.121 10.016 -11.806 1.00 21.53 H new ATOM 0 HD13 ILE A 39 -11.987 10.833 -12.551 1.00 21.53 H new ATOM 290 N ASN A 40 -16.926 9.389 -14.305 1.00 23.69 N ATOM 291 CA ASN A 40 -18.095 9.243 -13.408 1.00 23.50 C ATOM 292 C ASN A 40 -17.626 8.605 -12.141 1.00 21.48 C ATOM 293 O ASN A 40 -16.861 7.604 -12.160 1.00 24.87 O ATOM 294 CB ASN A 40 -19.113 8.283 -14.045 1.00 34.10 C ATOM 295 CG ASN A 40 -19.753 8.937 -15.265 1.00 44.44 C ATOM 296 OD1 ASN A 40 -20.603 9.976 -15.048 1.00 53.42 O flip ATOM 297 ND2 ASN A 40 -19.329 8.643 -16.388 1.00 47.79 N flip ATOM 0 H ASN A 40 -16.601 8.653 -14.610 1.00 23.69 H new ATOM 0 HA ASN A 40 -18.497 10.112 -13.251 1.00 23.50 H new ATOM 0 HB2 ASN A 40 -18.673 7.458 -14.304 1.00 34.10 H new ATOM 0 HB3 ASN A 40 -19.797 8.049 -13.398 1.00 34.10 H new ATOM 0 HD21 ASN A 40 -18.792 7.978 -16.484 1.00 47.79 H new ATOM 0 HD22 ASN A 40 -19.571 9.103 -17.073 1.00 47.79 H new ATOM 298 N VAL A 41 -18.097 9.178 -11.056 1.00 23.04 N ATOM 299 CA VAL A 41 -17.750 8.697 -9.665 1.00 22.57 C ATOM 300 C VAL A 41 -19.077 8.276 -9.064 1.00 25.92 C ATOM 301 O VAL A 41 -20.035 9.045 -9.056 1.00 25.40 O ATOM 302 CB VAL A 41 -17.090 9.883 -8.937 1.00 23.68 C ATOM 303 CG1 VAL A 41 -16.870 9.563 -7.446 1.00 25.77 C ATOM 304 CG2 VAL A 41 -15.743 10.206 -9.652 1.00 22.58 C ATOM 0 H VAL A 41 -18.627 9.855 -11.069 1.00 23.04 H new ATOM 0 HA VAL A 41 -17.129 7.953 -9.618 1.00 22.57 H new ATOM 0 HB VAL A 41 -17.672 10.658 -8.974 1.00 23.68 H new ATOM 0 HG11 VAL A 41 -16.454 10.323 -7.010 1.00 25.77 H new ATOM 0 HG12 VAL A 41 -17.724 9.377 -7.025 1.00 25.77 H new ATOM 0 HG13 VAL A 41 -16.293 8.788 -7.363 1.00 25.77 H new ATOM 0 HG21 VAL A 41 -15.311 10.952 -9.207 1.00 22.58 H new ATOM 0 HG22 VAL A 41 -15.163 9.429 -9.616 1.00 22.58 H new ATOM 0 HG23 VAL A 41 -15.915 10.438 -10.578 1.00 22.58 H new ATOM 305 N GLU A 42 -19.091 7.070 -8.511 1.00 27.07 N ATOM 306 CA GLU A 42 -20.329 6.530 -7.918 1.00 29.52 C ATOM 307 C GLU A 42 -20.797 7.417 -6.721 1.00 27.57 C ATOM 308 O GLU A 42 -19.957 7.839 -5.882 1.00 24.00 O ATOM 309 CB GLU A 42 -20.062 5.109 -7.492 1.00 34.61 C ATOM 310 CG GLU A 42 -21.098 4.084 -8.006 1.00 59.86 C ATOM 311 CD GLU A 42 -21.495 3.030 -6.935 1.00 78.21 C ATOM 312 OE1 GLU A 42 -20.643 2.645 -6.070 1.00 81.47 O ATOM 313 OE2 GLU A 42 -22.670 2.570 -6.941 1.00 76.86 O ATOM 0 H GLU A 42 -18.409 6.548 -8.464 1.00 27.07 H new ATOM 0 HA GLU A 42 -21.049 6.539 -8.568 1.00 29.52 H new ATOM 0 HB2 GLU A 42 -19.182 4.849 -7.806 1.00 34.61 H new ATOM 0 HB3 GLU A 42 -20.040 5.072 -6.523 1.00 34.61 H new ATOM 0 HG2 GLU A 42 -21.894 4.555 -8.299 1.00 59.86 H new ATOM 0 HG3 GLU A 42 -20.737 3.628 -8.782 1.00 59.86 H new ATOM 314 N PRO A 43 -22.125 7.751 -6.631 1.00 25.34 N ATOM 315 CA PRO A 43 -22.635 8.403 -5.422 1.00 26.66 C ATOM 316 C PRO A 43 -22.227 7.631 -4.153 1.00 26.44 C ATOM 317 O PRO A 43 -22.049 6.395 -4.195 1.00 26.71 O ATOM 318 CB PRO A 43 -24.187 8.390 -5.583 1.00 27.63 C ATOM 319 CG PRO A 43 -24.447 7.904 -6.963 1.00 28.27 C ATOM 320 CD PRO A 43 -23.197 7.320 -7.572 1.00 30.62 C ATOM 0 HA PRO A 43 -22.277 9.299 -5.324 1.00 26.66 H new ATOM 0 HB2 PRO A 43 -24.600 7.808 -4.926 1.00 27.63 H new ATOM 0 HB3 PRO A 43 -24.558 9.276 -5.451 1.00 27.63 H new ATOM 0 HG2 PRO A 43 -25.147 7.233 -6.947 1.00 28.27 H new ATOM 0 HG3 PRO A 43 -24.768 8.636 -7.513 1.00 28.27 H new ATOM 0 HD2 PRO A 43 -23.248 6.354 -7.638 1.00 30.62 H new ATOM 0 HD3 PRO A 43 -23.044 7.658 -8.468 1.00 30.62 H new ATOM 321 N GLY A 44 -22.063 8.384 -3.066 1.00 26.58 N ATOM 322 CA GLY A 44 -21.652 7.888 -1.767 1.00 26.24 C ATOM 323 C GLY A 44 -20.171 7.636 -1.655 1.00 29.85 C ATOM 324 O GLY A 44 -19.694 7.217 -0.594 1.00 32.29 O ATOM 0 H GLY A 44 -22.195 9.234 -3.072 1.00 26.58 H new ATOM 0 HA2 GLY A 44 -21.915 8.528 -1.087 1.00 26.24 H new ATOM 0 HA3 GLY A 44 -22.127 7.063 -1.579 1.00 26.24 H new ATOM 325 N THR A 45 -19.402 7.936 -2.708 1.00 24.16 N ATOM 326 CA THR A 45 -17.940 7.709 -2.633 1.00 23.71 C ATOM 327 C THR A 45 -17.342 8.597 -1.531 1.00 22.64 C ATOM 328 O THR A 45 -17.581 9.878 -1.466 1.00 24.40 O ATOM 329 CB THR A 45 -17.276 8.076 -3.992 1.00 25.16 C ATOM 330 OG1 THR A 45 -17.644 7.067 -4.945 1.00 26.75 O ATOM 331 CG2 THR A 45 -15.734 8.096 -3.874 1.00 24.92 C ATOM 0 H THR A 45 -19.688 8.260 -3.452 1.00 24.16 H new ATOM 0 HA THR A 45 -17.775 6.774 -2.433 1.00 23.71 H new ATOM 0 HB THR A 45 -17.575 8.958 -4.264 1.00 25.16 H new ATOM 0 HG1 THR A 45 -18.270 7.352 -5.427 1.00 26.75 H new ATOM 0 HG21 THR A 45 -15.347 8.327 -4.733 1.00 24.92 H new ATOM 0 HG22 THR A 45 -15.468 8.754 -3.213 1.00 24.92 H new ATOM 0 HG23 THR A 45 -15.419 7.220 -3.603 1.00 24.92 H new ATOM 332 N ASN A 46 -16.594 7.944 -0.638 1.00 22.99 N ATOM 333 CA ASN A 46 -16.073 8.650 0.501 1.00 26.39 C ATOM 334 C ASN A 46 -14.544 8.644 0.376 1.00 26.07 C ATOM 335 O ASN A 46 -13.972 7.584 0.082 1.00 26.51 O ATOM 336 CB ASN A 46 -16.483 7.863 1.743 1.00 34.81 C ATOM 337 CG ASN A 46 -16.495 8.724 2.917 1.00 53.06 C ATOM 338 OD1 ASN A 46 -17.329 9.611 3.004 1.00 72.75 O ATOM 339 ND2 ASN A 46 -15.520 8.552 3.793 1.00 61.58 N ATOM 0 H ASN A 46 -16.387 7.110 -0.682 1.00 22.99 H new ATOM 0 HA ASN A 46 -16.403 9.561 0.555 1.00 26.39 H new ATOM 0 HB2 ASN A 46 -17.363 7.476 1.611 1.00 34.81 H new ATOM 0 HB3 ASN A 46 -15.867 7.126 1.883 1.00 34.81 H new ATOM 0 HD21 ASN A 46 -15.450 9.081 4.468 1.00 61.58 H new ATOM 0 HD22 ASN A 46 -14.956 7.911 3.688 1.00 61.58 H new ATOM 340 N GLY A 47 -13.885 9.793 0.556 1.00 24.13 N ATOM 341 CA GLY A 47 -12.385 9.728 0.558 1.00 25.37 C ATOM 342 C GLY A 47 -11.777 9.603 -0.859 1.00 25.11 C ATOM 343 O GLY A 47 -10.683 8.994 -1.058 1.00 23.46 O ATOM 0 H GLY A 47 -14.237 10.569 0.671 1.00 24.13 H new ATOM 0 HA2 GLY A 47 -12.033 10.525 0.985 1.00 25.37 H new ATOM 0 HA3 GLY A 47 -12.101 8.971 1.093 1.00 25.37 H new ATOM 344 N GLY A 48 -12.463 10.181 -1.864 1.00 19.95 N ATOM 345 CA GLY A 48 -11.915 10.167 -3.200 1.00 17.89 C ATOM 346 C GLY A 48 -10.869 11.309 -3.359 1.00 17.42 C ATOM 347 O GLY A 48 -10.941 12.357 -2.708 1.00 16.85 O ATOM 0 H GLY A 48 -13.225 10.572 -1.781 1.00 19.95 H new ATOM 0 HA2 GLY A 48 -11.498 9.309 -3.378 1.00 17.89 H new ATOM 0 HA3 GLY A 48 -12.626 10.277 -3.850 1.00 17.89 H new ATOM 348 N LYS A 49 -9.900 11.051 -4.254 1.00 16.10 N ATOM 349 CA LYS A 49 -8.887 12.126 -4.515 1.00 17.14 C ATOM 350 C LYS A 49 -8.609 12.136 -6.003 1.00 15.17 C ATOM 351 O LYS A 49 -8.547 11.078 -6.649 1.00 16.63 O ATOM 352 CB LYS A 49 -7.596 11.860 -3.741 1.00 14.83 C ATOM 353 CG LYS A 49 -7.829 11.837 -2.217 1.00 18.58 C ATOM 354 CD LYS A 49 -6.496 11.883 -1.506 1.00 20.73 C ATOM 355 CE LYS A 49 -6.484 11.322 -0.096 1.00 25.49 C ATOM 356 NZ LYS A 49 -7.327 12.126 0.730 1.00 24.19 N ATOM 0 H LYS A 49 -9.803 10.320 -4.697 1.00 16.10 H new ATOM 0 HA LYS A 49 -9.230 12.985 -4.221 1.00 17.14 H new ATOM 0 HB2 LYS A 49 -7.220 11.011 -4.023 1.00 14.83 H new ATOM 0 HB3 LYS A 49 -6.944 12.545 -3.957 1.00 14.83 H new ATOM 0 HG2 LYS A 49 -8.375 12.594 -1.952 1.00 18.58 H new ATOM 0 HG3 LYS A 49 -8.314 11.035 -1.966 1.00 18.58 H new ATOM 0 HD2 LYS A 49 -5.848 11.394 -2.037 1.00 20.73 H new ATOM 0 HD3 LYS A 49 -6.197 12.805 -1.472 1.00 20.73 H new ATOM 0 HE2 LYS A 49 -6.795 10.403 -0.098 1.00 25.49 H new ATOM 0 HE3 LYS A 49 -5.580 11.315 0.254 1.00 25.49 H new ATOM 0 HZ1 LYS A 49 -7.236 11.876 1.579 1.00 24.19 H new ATOM 0 HZ2 LYS A 49 -7.096 12.982 0.646 1.00 24.19 H new ATOM 0 HZ3 LYS A 49 -8.175 12.022 0.480 1.00 24.19 H new ATOM 357 N ILE A 50 -8.351 13.343 -6.511 1.00 15.49 N ATOM 358 CA ILE A 50 -7.864 13.508 -7.894 1.00 14.60 C ATOM 359 C ILE A 50 -6.581 14.348 -7.802 1.00 14.58 C ATOM 360 O ILE A 50 -6.500 15.279 -6.990 1.00 14.95 O ATOM 361 CB ILE A 50 -8.930 14.369 -8.681 1.00 15.10 C ATOM 362 CG1 ILE A 50 -10.031 13.414 -9.090 1.00 15.70 C ATOM 363 CG2 ILE A 50 -8.373 14.910 -10.016 1.00 17.10 C ATOM 364 CD1 ILE A 50 -11.369 14.040 -9.535 1.00 18.30 C ATOM 0 H ILE A 50 -8.449 14.079 -6.077 1.00 15.49 H new ATOM 0 HA ILE A 50 -7.716 12.654 -8.329 1.00 14.60 H new ATOM 0 HB ILE A 50 -9.205 15.106 -8.113 1.00 15.10 H new ATOM 0 HG12 ILE A 50 -9.699 12.864 -9.817 1.00 15.70 H new ATOM 0 HG13 ILE A 50 -10.209 12.821 -8.343 1.00 15.70 H new ATOM 0 HG21 ILE A 50 -9.057 15.431 -10.465 1.00 17.10 H new ATOM 0 HG22 ILE A 50 -7.602 15.472 -9.841 1.00 17.10 H new ATOM 0 HG23 ILE A 50 -8.109 14.167 -10.582 1.00 17.10 H new ATOM 0 HD11 ILE A 50 -11.993 13.336 -9.772 1.00 18.30 H new ATOM 0 HD12 ILE A 50 -11.737 14.567 -8.809 1.00 18.30 H new ATOM 0 HD13 ILE A 50 -11.219 14.611 -10.305 1.00 18.30 H new ATOM 365 N TRP A 51 -5.602 13.966 -8.612 1.00 13.40 N ATOM 366 CA TRP A 51 -4.317 14.717 -8.638 1.00 13.44 C ATOM 367 C TRP A 51 -3.687 14.607 -9.994 1.00 13.82 C ATOM 368 O TRP A 51 -4.131 13.797 -10.860 1.00 14.46 O ATOM 369 CB TRP A 51 -3.371 14.203 -7.509 1.00 13.63 C ATOM 370 CG TRP A 51 -2.799 12.795 -7.680 1.00 14.31 C ATOM 371 CD1 TRP A 51 -1.527 12.452 -8.167 1.00 14.06 C ATOM 372 CD2 TRP A 51 -3.476 11.548 -7.361 1.00 16.27 C ATOM 373 NE1 TRP A 51 -1.378 11.064 -8.143 1.00 16.27 N ATOM 374 CE2 TRP A 51 -2.549 10.490 -7.653 1.00 16.80 C ATOM 375 CE3 TRP A 51 -4.786 11.246 -6.876 1.00 16.84 C ATOM 376 CZ2 TRP A 51 -2.883 9.125 -7.516 1.00 17.67 C ATOM 377 CZ3 TRP A 51 -5.119 9.870 -6.704 1.00 16.51 C ATOM 378 CH2 TRP A 51 -4.137 8.831 -7.006 1.00 17.89 C ATOM 0 H TRP A 51 -5.643 13.294 -9.147 1.00 13.40 H new ATOM 0 HA TRP A 51 -4.486 15.657 -8.469 1.00 13.44 H new ATOM 0 HB2 TRP A 51 -2.630 14.823 -7.429 1.00 13.63 H new ATOM 0 HB3 TRP A 51 -3.857 14.233 -6.670 1.00 13.63 H new ATOM 0 HD1 TRP A 51 -0.884 13.056 -8.460 1.00 14.06 H new ATOM 0 HE1 TRP A 51 -0.676 10.633 -8.391 1.00 16.27 H new ATOM 0 HE3 TRP A 51 -5.397 11.920 -6.680 1.00 16.84 H new ATOM 0 HZ2 TRP A 51 -2.287 8.453 -7.758 1.00 17.67 H new ATOM 0 HZ3 TRP A 51 -5.965 9.633 -6.398 1.00 16.51 H new ATOM 0 HH2 TRP A 51 -4.362 7.942 -6.851 1.00 17.89 H new ATOM 379 N ALA A 52 -2.647 15.446 -10.218 1.00 13.95 N ATOM 380 CA ALA A 52 -1.922 15.330 -11.476 1.00 13.64 C ATOM 381 C ALA A 52 -0.549 14.703 -11.162 1.00 14.40 C ATOM 382 O ALA A 52 -0.011 14.843 -10.071 1.00 15.52 O ATOM 383 CB ALA A 52 -1.634 16.736 -12.036 1.00 14.34 C ATOM 0 H ALA A 52 -2.368 16.054 -9.677 1.00 13.95 H new ATOM 0 HA ALA A 52 -2.441 14.806 -12.106 1.00 13.64 H new ATOM 0 HB1 ALA A 52 -1.151 16.658 -12.874 1.00 14.34 H new ATOM 0 HB2 ALA A 52 -2.471 17.202 -12.188 1.00 14.34 H new ATOM 0 HB3 ALA A 52 -1.098 17.234 -11.400 1.00 14.34 H new ATOM 384 N ARG A 53 -0.034 14.032 -12.143 1.00 14.30 N ATOM 385 CA ARG A 53 1.334 13.458 -12.093 1.00 13.62 C ATOM 386 C ARG A 53 2.124 14.092 -13.194 1.00 17.19 C ATOM 387 O ARG A 53 1.591 14.319 -14.309 1.00 16.77 O ATOM 388 CB ARG A 53 1.260 11.925 -12.352 1.00 13.82 C ATOM 389 CG ARG A 53 0.465 11.245 -11.249 1.00 14.20 C ATOM 390 CD ARG A 53 0.231 9.801 -11.583 1.00 14.30 C ATOM 391 NE ARG A 53 -0.806 9.689 -12.668 1.00 14.94 N ATOM 392 CZ ARG A 53 -1.087 8.529 -13.283 1.00 17.53 C ATOM 393 NH1 ARG A 53 -0.401 7.390 -12.929 1.00 17.48 N ATOM 394 NH2 ARG A 53 -2.099 8.527 -14.180 1.00 18.74 N ATOM 0 H ARG A 53 -0.449 13.878 -12.880 1.00 14.30 H new ATOM 0 HA ARG A 53 1.742 13.619 -11.228 1.00 13.62 H new ATOM 0 HB2 ARG A 53 0.844 11.755 -13.212 1.00 13.82 H new ATOM 0 HB3 ARG A 53 2.155 11.553 -12.391 1.00 13.82 H new ATOM 0 HG2 ARG A 53 0.943 11.315 -10.408 1.00 14.20 H new ATOM 0 HG3 ARG A 53 -0.385 11.697 -11.130 1.00 14.20 H new ATOM 0 HD2 ARG A 53 1.060 9.389 -11.873 1.00 14.30 H new ATOM 0 HD3 ARG A 53 -0.063 9.321 -10.793 1.00 14.30 H new ATOM 0 HE ARG A 53 -1.236 10.396 -12.903 1.00 14.94 H new ATOM 0 HH11 ARG A 53 0.203 7.424 -12.318 1.00 17.48 H new ATOM 0 HH12 ARG A 53 -0.576 6.644 -13.319 1.00 17.48 H new ATOM 0 HH21 ARG A 53 -2.535 9.251 -14.338 1.00 18.74 H new ATOM 0 HH22 ARG A 53 -2.306 7.802 -14.593 1.00 18.74 H new ATOM 395 N THR A 54 3.413 14.378 -12.955 1.00 15.84 N ATOM 396 CA THR A 54 4.295 15.032 -13.951 1.00 16.47 C ATOM 397 C THR A 54 5.436 14.107 -14.339 1.00 18.78 C ATOM 398 O THR A 54 5.824 13.193 -13.568 1.00 17.12 O ATOM 399 CB THR A 54 4.869 16.353 -13.427 1.00 17.99 C ATOM 400 OG1 THR A 54 5.594 16.101 -12.199 1.00 18.24 O ATOM 401 CG2 THR A 54 3.707 17.301 -13.132 1.00 19.58 C ATOM 0 H THR A 54 3.805 14.199 -12.211 1.00 15.84 H new ATOM 0 HA THR A 54 3.750 15.225 -14.730 1.00 16.47 H new ATOM 0 HB THR A 54 5.465 16.744 -14.085 1.00 17.99 H new ATOM 0 HG1 THR A 54 6.414 16.232 -12.325 1.00 18.24 H new ATOM 0 HG21 THR A 54 4.053 18.144 -12.799 1.00 19.58 H new ATOM 0 HG22 THR A 54 3.203 17.458 -13.946 1.00 19.58 H new ATOM 0 HG23 THR A 54 3.127 16.904 -12.464 1.00 19.58 H new ATOM 402 N ASP A 55 5.901 14.326 -15.573 1.00 17.59 N ATOM 403 CA ASP A 55 7.063 13.620 -16.145 1.00 20.97 C ATOM 404 C ASP A 55 6.984 12.141 -16.005 1.00 21.67 C ATOM 405 O ASP A 55 7.805 11.516 -15.320 1.00 20.99 O ATOM 406 CB ASP A 55 8.372 14.177 -15.510 1.00 23.70 C ATOM 407 CG ASP A 55 8.661 15.581 -15.970 1.00 29.36 C ATOM 408 OD1 ASP A 55 8.707 15.791 -17.200 1.00 42.36 O ATOM 409 OD2 ASP A 55 8.771 16.449 -15.120 1.00 34.92 O ATOM 0 H ASP A 55 5.548 14.896 -16.111 1.00 17.59 H new ATOM 0 HA ASP A 55 7.064 13.790 -17.100 1.00 20.97 H new ATOM 0 HB2 ASP A 55 8.294 14.163 -14.543 1.00 23.70 H new ATOM 0 HB3 ASP A 55 9.116 13.600 -15.744 1.00 23.70 H new ATOM 410 N CYS A 56 5.977 11.575 -16.649 1.00 19.50 N ATOM 411 CA CYS A 56 5.745 10.144 -16.579 1.00 20.86 C ATOM 412 C CYS A 56 6.243 9.477 -17.890 1.00 22.41 C ATOM 413 O CYS A 56 6.240 10.073 -18.974 1.00 23.89 O ATOM 414 CB CYS A 56 4.230 9.838 -16.506 1.00 21.04 C ATOM 415 SG CYS A 56 3.384 10.513 -15.070 1.00 19.30 S ATOM 0 H CYS A 56 5.413 12.005 -17.135 1.00 19.50 H new ATOM 0 HA CYS A 56 6.208 9.811 -15.794 1.00 20.86 H new ATOM 0 HB2 CYS A 56 3.805 10.184 -17.307 1.00 21.04 H new ATOM 0 HB3 CYS A 56 4.108 8.876 -16.513 1.00 21.04 H new ATOM 416 N TYR A 57 6.632 8.227 -17.737 1.00 23.66 N ATOM 417 CA TYR A 57 6.942 7.317 -18.881 1.00 27.63 C ATOM 418 C TYR A 57 6.156 6.058 -18.622 1.00 25.47 C ATOM 419 O TYR A 57 6.298 5.461 -17.566 1.00 29.32 O ATOM 420 CB TYR A 57 8.473 7.036 -18.933 1.00 29.66 C ATOM 421 CG TYR A 57 9.222 8.342 -19.241 1.00 39.71 C ATOM 422 CD1 TYR A 57 9.614 9.206 -18.191 1.00 39.03 C ATOM 423 CD2 TYR A 57 9.437 8.811 -20.613 1.00 47.40 C ATOM 424 CE1 TYR A 57 10.238 10.442 -18.446 1.00 41.82 C ATOM 425 CE2 TYR A 57 10.090 10.060 -20.883 1.00 39.66 C ATOM 426 CZ TYR A 57 10.475 10.857 -19.789 1.00 43.64 C ATOM 427 OH TYR A 57 11.100 12.092 -19.870 1.00 47.00 O ATOM 0 H TYR A 57 6.731 7.858 -16.967 1.00 23.66 H new ATOM 0 HA TYR A 57 6.701 7.703 -19.738 1.00 27.63 H new ATOM 0 HB2 TYR A 57 8.774 6.671 -18.086 1.00 29.66 H new ATOM 0 HB3 TYR A 57 8.667 6.372 -19.613 1.00 29.66 H new ATOM 0 HD1 TYR A 57 9.456 8.951 -17.311 1.00 39.03 H new ATOM 0 HD2 TYR A 57 9.144 8.288 -21.324 1.00 47.40 H new ATOM 0 HE1 TYR A 57 10.496 10.988 -17.738 1.00 41.82 H new ATOM 0 HE2 TYR A 57 10.254 10.335 -21.756 1.00 39.66 H new ATOM 0 HH TYR A 57 11.219 12.294 -20.677 1.00 47.00 H new ATOM 428 N PHE A 58 5.335 5.612 -19.583 1.00 26.39 N ATOM 429 CA PHE A 58 4.640 4.360 -19.439 1.00 25.46 C ATOM 430 C PHE A 58 4.884 3.541 -20.692 1.00 31.66 C ATOM 431 O PHE A 58 4.959 4.107 -21.773 1.00 36.10 O ATOM 432 CB PHE A 58 3.104 4.600 -19.296 1.00 25.55 C ATOM 433 CG PHE A 58 2.754 5.251 -18.002 1.00 23.36 C ATOM 434 CD1 PHE A 58 2.830 4.529 -16.818 1.00 23.51 C ATOM 435 CD2 PHE A 58 2.413 6.596 -17.944 1.00 22.66 C ATOM 436 CE1 PHE A 58 2.609 5.152 -15.589 1.00 23.94 C ATOM 437 CE2 PHE A 58 2.112 7.195 -16.739 1.00 23.42 C ATOM 438 CZ PHE A 58 2.184 6.484 -15.538 1.00 23.21 C ATOM 0 H PHE A 58 5.177 6.029 -20.318 1.00 26.39 H new ATOM 0 HA PHE A 58 4.963 3.901 -18.647 1.00 25.46 H new ATOM 0 HB2 PHE A 58 2.795 5.155 -20.029 1.00 25.55 H new ATOM 0 HB3 PHE A 58 2.638 3.752 -19.366 1.00 25.55 H new ATOM 0 HD1 PHE A 58 3.030 3.621 -16.844 1.00 23.51 H new ATOM 0 HD2 PHE A 58 2.387 7.098 -18.726 1.00 22.66 H new ATOM 0 HE1 PHE A 58 2.745 4.679 -14.800 1.00 23.94 H new ATOM 0 HE2 PHE A 58 1.856 8.089 -16.725 1.00 23.42 H new ATOM 0 HZ PHE A 58 1.956 6.884 -14.730 1.00 23.21 H new ATOM 439 N ASP A 59 5.031 2.243 -20.522 1.00 40.20 N ATOM 440 CA ASP A 59 5.145 1.335 -21.676 1.00 40.54 C ATOM 441 C ASP A 59 3.742 0.929 -22.177 1.00 46.35 C ATOM 442 O ASP A 59 2.683 1.374 -21.640 1.00 40.03 O ATOM 443 CB ASP A 59 6.007 0.133 -21.273 1.00 42.28 C ATOM 444 CG ASP A 59 5.290 -0.832 -20.331 1.00 42.12 C ATOM 445 OD1 ASP A 59 4.026 -0.747 -20.109 1.00 37.50 O ATOM 446 OD2 ASP A 59 6.016 -1.696 -19.769 1.00 52.15 O ATOM 0 H ASP A 59 5.069 1.856 -19.755 1.00 40.20 H new ATOM 0 HA ASP A 59 5.582 1.779 -22.420 1.00 40.54 H new ATOM 0 HB2 ASP A 59 6.278 -0.346 -22.072 1.00 42.28 H new ATOM 0 HB3 ASP A 59 6.817 0.452 -20.845 1.00 42.28 H new ATOM 447 N ASP A 60 3.728 0.053 -23.183 1.00 56.31 N ATOM 448 CA ASP A 60 2.494 -0.547 -23.707 1.00 63.11 C ATOM 449 C ASP A 60 1.477 -1.111 -22.720 1.00 53.63 C ATOM 450 O ASP A 60 0.273 -0.950 -22.925 1.00 60.82 O ATOM 451 CB ASP A 60 2.856 -1.642 -24.700 1.00 72.24 C ATOM 452 CG ASP A 60 3.156 -1.084 -26.049 1.00 86.43 C ATOM 453 OD1 ASP A 60 3.028 0.170 -26.268 1.00 72.93 O ATOM 454 OD2 ASP A 60 3.514 -1.930 -26.893 1.00102.19 O ATOM 0 H ASP A 60 4.440 -0.213 -23.585 1.00 56.31 H new ATOM 0 HA ASP A 60 2.035 0.212 -24.099 1.00 63.11 H new ATOM 0 HB2 ASP A 60 3.626 -2.133 -24.374 1.00 72.24 H new ATOM 0 HB3 ASP A 60 2.123 -2.274 -24.766 1.00 72.24 H new ATOM 455 N SER A 61 1.960 -1.781 -21.681 1.00 47.13 N ATOM 456 CA SER A 61 1.089 -2.343 -20.668 1.00 49.57 C ATOM 457 C SER A 61 0.582 -1.312 -19.617 1.00 49.15 C ATOM 458 O SER A 61 -0.059 -1.741 -18.667 1.00 46.05 O ATOM 459 CB SER A 61 1.835 -3.475 -19.942 1.00 57.25 C ATOM 460 OG SER A 61 2.906 -2.978 -19.126 1.00 61.40 O ATOM 0 H SER A 61 2.798 -1.920 -21.547 1.00 47.13 H new ATOM 0 HA SER A 61 0.302 -2.668 -21.132 1.00 49.57 H new ATOM 0 HB2 SER A 61 1.211 -3.969 -19.388 1.00 57.25 H new ATOM 0 HB3 SER A 61 2.190 -4.098 -20.595 1.00 57.25 H new ATOM 0 HG SER A 61 3.188 -2.253 -19.444 1.00 61.40 H new ATOM 461 N GLY A 62 0.863 -0.002 -19.760 1.00 39.98 N ATOM 462 CA GLY A 62 0.476 0.988 -18.716 1.00 37.24 C ATOM 463 C GLY A 62 1.305 0.906 -17.415 1.00 37.57 C ATOM 464 O GLY A 62 0.814 1.230 -16.340 1.00 34.33 O ATOM 0 H GLY A 62 1.269 0.334 -20.439 1.00 39.98 H new ATOM 0 HA2 GLY A 62 0.563 1.881 -19.085 1.00 37.24 H new ATOM 0 HA3 GLY A 62 -0.461 0.861 -18.498 1.00 37.24 H new ATOM 465 N SER A 63 2.563 0.464 -17.525 1.00 34.77 N ATOM 466 CA SER A 63 3.531 0.418 -16.402 1.00 32.16 C ATOM 467 C SER A 63 4.706 1.371 -16.668 1.00 31.90 C ATOM 468 O SER A 63 5.247 1.468 -17.796 1.00 31.31 O ATOM 469 CB SER A 63 4.123 -1.012 -16.210 1.00 42.58 C ATOM 470 OG SER A 63 3.545 -1.698 -15.127 1.00 49.74 O ATOM 0 H SER A 63 2.890 0.176 -18.266 1.00 34.77 H new ATOM 0 HA SER A 63 3.045 0.680 -15.605 1.00 32.16 H new ATOM 0 HB2 SER A 63 3.988 -1.525 -17.022 1.00 42.58 H new ATOM 0 HB3 SER A 63 5.081 -0.946 -16.072 1.00 42.58 H new ATOM 0 HG SER A 63 3.891 -2.461 -15.062 1.00 49.74 H new ATOM 471 N GLY A 64 5.140 2.089 -15.622 1.00 30.69 N ATOM 472 CA GLY A 64 6.297 2.938 -15.802 1.00 27.64 C ATOM 473 C GLY A 64 6.509 3.727 -14.530 1.00 24.22 C ATOM 474 O GLY A 64 6.476 3.148 -13.481 1.00 23.52 O ATOM 0 H GLY A 64 4.789 2.093 -14.837 1.00 30.69 H new ATOM 0 HA2 GLY A 64 7.081 2.403 -16.002 1.00 27.64 H new ATOM 0 HA3 GLY A 64 6.163 3.537 -16.553 1.00 27.64 H new ATOM 475 N ILE A 65 6.751 5.038 -14.644 1.00 22.01 N ATOM 476 CA ILE A 65 7.165 5.795 -13.451 1.00 20.85 C ATOM 477 C ILE A 65 6.832 7.303 -13.722 1.00 18.47 C ATOM 478 O ILE A 65 6.878 7.724 -14.892 1.00 22.86 O ATOM 479 CB ILE A 65 8.672 5.667 -13.150 1.00 20.85 C ATOM 480 CG1 ILE A 65 8.936 6.376 -11.819 1.00 26.41 C ATOM 481 CG2 ILE A 65 9.585 6.135 -14.321 1.00 24.44 C ATOM 482 CD1 ILE A 65 9.930 5.747 -10.948 1.00 31.59 C ATOM 0 H ILE A 65 6.686 5.494 -15.370 1.00 22.01 H new ATOM 0 HA ILE A 65 6.693 5.439 -12.682 1.00 20.85 H new ATOM 0 HB ILE A 65 8.913 4.731 -13.064 1.00 20.85 H new ATOM 0 HG12 ILE A 65 9.223 7.283 -12.007 1.00 26.41 H new ATOM 0 HG13 ILE A 65 8.099 6.438 -11.333 1.00 26.41 H new ATOM 0 HG21 ILE A 65 10.516 6.029 -14.068 1.00 24.44 H new ATOM 0 HG22 ILE A 65 9.401 5.600 -15.109 1.00 24.44 H new ATOM 0 HG23 ILE A 65 9.408 7.068 -14.517 1.00 24.44 H new ATOM 0 HD11 ILE A 65 10.025 6.268 -10.135 1.00 31.59 H new ATOM 0 HD12 ILE A 65 9.641 4.849 -10.723 1.00 31.59 H new ATOM 0 HD13 ILE A 65 10.784 5.707 -11.407 1.00 31.59 H new ATOM 483 N CYS A 66 6.481 8.072 -12.673 1.00 19.48 N ATOM 484 CA CYS A 66 6.299 9.527 -12.821 1.00 18.67 C ATOM 485 C CYS A 66 7.151 10.183 -11.751 1.00 18.66 C ATOM 486 O CYS A 66 7.379 9.606 -10.674 1.00 17.93 O ATOM 487 CB CYS A 66 4.838 9.881 -12.466 1.00 17.25 C ATOM 488 SG CYS A 66 3.631 9.122 -13.609 1.00 20.57 S ATOM 0 H CYS A 66 6.346 7.773 -11.878 1.00 19.48 H new ATOM 0 HA CYS A 66 6.526 9.810 -13.721 1.00 18.67 H new ATOM 0 HB2 CYS A 66 4.649 9.588 -11.561 1.00 17.25 H new ATOM 0 HB3 CYS A 66 4.730 10.845 -12.481 1.00 17.25 H new ATOM 489 N LYS A 67 7.603 11.403 -12.032 1.00 20.42 N ATOM 490 CA LYS A 67 8.418 12.138 -11.016 1.00 20.86 C ATOM 491 C LYS A 67 7.672 12.701 -9.897 1.00 20.66 C ATOM 492 O LYS A 67 8.233 12.833 -8.807 1.00 22.19 O ATOM 493 CB LYS A 67 9.268 13.249 -11.668 1.00 22.67 C ATOM 494 CG LYS A 67 10.247 12.647 -12.639 1.00 27.91 C ATOM 495 CD LYS A 67 11.436 13.532 -12.743 1.00 29.82 C ATOM 496 CE LYS A 67 12.381 12.894 -13.768 1.00 28.83 C ATOM 497 NZ LYS A 67 13.305 14.066 -13.995 1.00 37.68 N ATOM 0 H LYS A 67 7.465 11.823 -12.770 1.00 20.42 H new ATOM 0 HA LYS A 67 8.986 11.448 -10.640 1.00 20.86 H new ATOM 0 HB2 LYS A 67 8.692 13.880 -12.128 1.00 22.67 H new ATOM 0 HB3 LYS A 67 9.744 13.746 -10.984 1.00 22.67 H new ATOM 0 HG2 LYS A 67 10.513 11.763 -12.341 1.00 27.91 H new ATOM 0 HG3 LYS A 67 9.832 12.540 -13.509 1.00 27.91 H new ATOM 0 HD2 LYS A 67 11.177 14.424 -13.024 1.00 29.82 H new ATOM 0 HD3 LYS A 67 11.874 13.622 -11.882 1.00 29.82 H new ATOM 0 HE2 LYS A 67 12.842 12.115 -13.419 1.00 28.83 H new ATOM 0 HE3 LYS A 67 11.924 12.615 -14.577 1.00 28.83 H new ATOM 0 HZ1 LYS A 67 13.963 13.824 -14.543 1.00 37.68 H new ATOM 0 HZ2 LYS A 67 12.849 14.738 -14.359 1.00 37.68 H new ATOM 0 HZ3 LYS A 67 13.649 14.328 -13.217 1.00 37.68 H new ATOM 498 N THR A 68 6.368 12.994 -10.044 1.00 17.50 N ATOM 499 CA THR A 68 5.562 13.324 -8.883 1.00 16.14 C ATOM 500 C THR A 68 4.262 12.546 -9.001 1.00 18.54 C ATOM 501 O THR A 68 3.800 12.328 -10.133 1.00 17.82 O ATOM 502 CB THR A 68 5.195 14.836 -8.811 1.00 19.18 C ATOM 503 OG1 THR A 68 4.419 15.282 -9.960 1.00 17.43 O ATOM 504 CG2 THR A 68 6.481 15.717 -8.714 1.00 16.55 C ATOM 0 H THR A 68 5.949 13.004 -10.795 1.00 17.50 H new ATOM 0 HA THR A 68 6.074 13.103 -8.089 1.00 16.14 H new ATOM 0 HB THR A 68 4.652 14.940 -8.014 1.00 19.18 H new ATOM 0 HG1 THR A 68 4.939 15.493 -10.585 1.00 17.43 H new ATOM 0 HG21 THR A 68 6.230 16.653 -8.670 1.00 16.55 H new ATOM 0 HG22 THR A 68 6.978 15.478 -7.916 1.00 16.55 H new ATOM 0 HG23 THR A 68 7.035 15.568 -9.496 1.00 16.55 H new ATOM 505 N GLY A 69 3.679 12.208 -7.841 1.00 16.52 N ATOM 506 CA GLY A 69 2.421 11.521 -7.786 1.00 16.00 C ATOM 507 C GLY A 69 2.349 10.090 -8.284 1.00 16.63 C ATOM 508 O GLY A 69 1.260 9.566 -8.445 1.00 16.78 O ATOM 0 H GLY A 69 4.019 12.380 -7.070 1.00 16.52 H new ATOM 0 HA2 GLY A 69 2.123 11.526 -6.863 1.00 16.00 H new ATOM 0 HA3 GLY A 69 1.779 12.042 -8.294 1.00 16.00 H new ATOM 509 N ASP A 70 3.479 9.402 -8.457 1.00 16.44 N ATOM 510 CA ASP A 70 3.423 8.033 -9.001 1.00 15.79 C ATOM 511 C ASP A 70 2.567 7.143 -8.084 1.00 18.81 C ATOM 512 O ASP A 70 2.720 7.192 -6.811 1.00 18.23 O ATOM 513 CB ASP A 70 4.853 7.471 -9.012 1.00 18.05 C ATOM 514 CG ASP A 70 4.964 6.167 -9.757 1.00 20.55 C ATOM 515 OD1 ASP A 70 4.681 6.172 -10.954 1.00 25.21 O ATOM 516 OD2 ASP A 70 5.221 5.165 -9.031 1.00 25.86 O ATOM 0 H ASP A 70 4.267 9.694 -8.274 1.00 16.44 H new ATOM 0 HA ASP A 70 3.040 8.048 -9.892 1.00 15.79 H new ATOM 0 HB2 ASP A 70 5.448 8.121 -9.417 1.00 18.05 H new ATOM 0 HB3 ASP A 70 5.152 7.343 -8.098 1.00 18.05 H new ATOM 517 N CYS A 71 1.721 6.268 -8.662 1.00 19.86 N ATOM 518 CA CYS A 71 0.830 5.416 -7.821 1.00 20.54 C ATOM 519 C CYS A 71 1.264 3.970 -8.063 1.00 23.48 C ATOM 520 O CYS A 71 0.619 3.277 -8.875 1.00 24.39 O ATOM 521 CB CYS A 71 -0.670 5.596 -8.177 1.00 19.13 C ATOM 522 SG CYS A 71 -0.930 5.330 -9.957 1.00 22.42 S ATOM 0 H CYS A 71 1.644 6.150 -9.510 1.00 19.86 H new ATOM 0 HA CYS A 71 0.914 5.670 -6.889 1.00 20.54 H new ATOM 0 HB2 CYS A 71 -1.208 4.969 -7.668 1.00 19.13 H new ATOM 0 HB3 CYS A 71 -0.963 6.487 -7.930 1.00 19.13 H new ATOM 523 N GLY A 72 2.448 3.593 -7.567 1.00 24.45 N ATOM 524 CA GLY A 72 2.979 2.199 -7.768 1.00 25.09 C ATOM 525 C GLY A 72 3.277 1.887 -9.229 1.00 28.85 C ATOM 526 O GLY A 72 3.149 0.742 -9.640 1.00 26.51 O ATOM 0 H GLY A 72 2.966 4.109 -7.115 1.00 24.45 H new ATOM 0 HA2 GLY A 72 3.789 2.087 -7.246 1.00 25.09 H new ATOM 0 HA3 GLY A 72 2.333 1.559 -7.430 1.00 25.09 H new ATOM 527 N GLY A 73 3.676 2.857 -10.046 1.00 24.42 N ATOM 528 CA GLY A 73 4.131 2.606 -11.410 1.00 24.75 C ATOM 529 C GLY A 73 3.022 2.360 -12.448 1.00 25.98 C ATOM 530 O GLY A 73 3.307 1.942 -13.541 1.00 30.85 O ATOM 0 H GLY A 73 3.690 3.687 -9.822 1.00 24.42 H new ATOM 0 HA2 GLY A 73 4.662 3.364 -11.701 1.00 24.75 H new ATOM 0 HA3 GLY A 73 4.719 1.835 -11.401 1.00 24.75 H new ATOM 531 N LEU A 74 1.769 2.606 -12.098 1.00 21.24 N ATOM 532 CA LEU A 74 0.645 2.275 -12.997 1.00 24.61 C ATOM 533 C LEU A 74 0.092 3.557 -13.627 1.00 25.63 C ATOM 534 O LEU A 74 0.043 4.583 -12.987 1.00 23.54 O ATOM 535 CB LEU A 74 -0.501 1.611 -12.225 1.00 25.81 C ATOM 536 CG LEU A 74 -0.131 0.228 -11.634 1.00 28.62 C ATOM 537 CD1 LEU A 74 -1.287 -0.341 -10.902 1.00 30.06 C ATOM 538 CD2 LEU A 74 0.238 -0.757 -12.713 1.00 33.39 C ATOM 0 H LEU A 74 1.537 2.962 -11.350 1.00 21.24 H new ATOM 0 HA LEU A 74 0.981 1.668 -13.675 1.00 24.61 H new ATOM 0 HB2 LEU A 74 -0.779 2.198 -11.505 1.00 25.81 H new ATOM 0 HB3 LEU A 74 -1.263 1.508 -12.817 1.00 25.81 H new ATOM 0 HG LEU A 74 0.626 0.369 -11.044 1.00 28.62 H new ATOM 0 HD11 LEU A 74 -1.045 -1.206 -10.536 1.00 30.06 H new ATOM 0 HD12 LEU A 74 -1.539 0.256 -10.180 1.00 30.06 H new ATOM 0 HD13 LEU A 74 -2.036 -0.446 -11.510 1.00 30.06 H new ATOM 0 HD21 LEU A 74 0.463 -1.610 -12.310 1.00 33.39 H new ATOM 0 HD22 LEU A 74 -0.513 -0.873 -13.316 1.00 33.39 H new ATOM 0 HD23 LEU A 74 1.001 -0.423 -13.209 1.00 33.39 H new ATOM 539 N LEU A 75 -0.326 3.455 -14.881 1.00 22.77 N ATOM 540 CA LEU A 75 -1.031 4.520 -15.577 1.00 23.17 C ATOM 541 C LEU A 75 -2.376 4.690 -14.905 1.00 23.51 C ATOM 542 O LEU A 75 -2.780 5.817 -14.549 1.00 25.01 O ATOM 543 CB LEU A 75 -1.157 4.214 -17.088 1.00 23.28 C ATOM 544 CG LEU A 75 -2.044 5.194 -17.873 1.00 25.29 C ATOM 545 CD1 LEU A 75 -1.558 6.667 -17.797 1.00 27.53 C ATOM 546 CD2 LEU A 75 -2.009 4.682 -19.306 1.00 29.43 C ATOM 0 H LEU A 75 -0.205 2.751 -15.360 1.00 22.77 H new ATOM 0 HA LEU A 75 -0.536 5.353 -15.522 1.00 23.17 H new ATOM 0 HB2 LEU A 75 -0.270 4.215 -17.480 1.00 23.28 H new ATOM 0 HB3 LEU A 75 -1.513 3.318 -17.195 1.00 23.28 H new ATOM 0 HG LEU A 75 -2.939 5.219 -17.499 1.00 25.29 H new ATOM 0 HD11 LEU A 75 -2.157 7.232 -18.310 1.00 27.53 H new ATOM 0 HD12 LEU A 75 -1.552 6.959 -16.872 1.00 27.53 H new ATOM 0 HD13 LEU A 75 -0.661 6.731 -18.162 1.00 27.53 H new ATOM 0 HD21 LEU A 75 -2.552 5.256 -19.868 1.00 29.43 H new ATOM 0 HD22 LEU A 75 -1.094 4.686 -19.629 1.00 29.43 H new ATOM 0 HD23 LEU A 75 -2.358 3.777 -19.335 1.00 29.43 H new ATOM 547 N ARG A 76 -3.080 3.557 -14.631 1.00 22.41 N ATOM 548 CA ARG A 76 -4.410 3.580 -14.080 1.00 23.95 C ATOM 549 C ARG A 76 -4.298 3.378 -12.626 1.00 25.51 C ATOM 550 O ARG A 76 -4.145 2.217 -12.157 1.00 28.04 O ATOM 551 CB ARG A 76 -5.306 2.490 -14.779 1.00 25.22 C ATOM 552 CG ARG A 76 -5.474 2.804 -16.244 1.00 36.42 C ATOM 553 CD ARG A 76 -6.182 1.650 -16.913 1.00 47.78 C ATOM 554 NE ARG A 76 -6.336 1.931 -18.330 1.00 74.13 N ATOM 555 CZ ARG A 76 -7.138 1.239 -19.148 1.00 96.10 C ATOM 556 NH1 ARG A 76 -7.869 0.229 -18.678 1.00110.75 N ATOM 557 NH2 ARG A 76 -7.225 1.546 -20.439 1.00 94.80 N ATOM 0 H ARG A 76 -2.774 2.765 -14.770 1.00 22.41 H new ATOM 0 HA ARG A 76 -4.844 4.432 -14.242 1.00 23.95 H new ATOM 0 HB2 ARG A 76 -4.901 1.615 -14.675 1.00 25.22 H new ATOM 0 HB3 ARG A 76 -6.175 2.453 -14.349 1.00 25.22 H new ATOM 0 HG2 ARG A 76 -5.985 3.621 -16.356 1.00 36.42 H new ATOM 0 HG3 ARG A 76 -4.609 2.952 -16.657 1.00 36.42 H new ATOM 0 HD2 ARG A 76 -5.676 0.832 -16.789 1.00 47.78 H new ATOM 0 HD3 ARG A 76 -7.051 1.511 -16.505 1.00 47.78 H new ATOM 0 HE ARG A 76 -5.884 2.582 -18.664 1.00 74.13 H new ATOM 0 HH11 ARG A 76 -7.827 0.019 -17.845 1.00110.75 H new ATOM 0 HH12 ARG A 76 -8.383 -0.213 -19.208 1.00110.75 H new ATOM 0 HH21 ARG A 76 -6.762 2.197 -20.758 1.00 94.80 H new ATOM 0 HH22 ARG A 76 -7.744 1.094 -20.954 1.00 94.80 H new ATOM 558 N CYS A 77 -4.354 4.458 -11.838 1.00 22.66 N ATOM 559 CA CYS A 77 -4.115 4.353 -10.380 1.00 20.93 C ATOM 560 C CYS A 77 -5.190 3.609 -9.605 1.00 28.66 C ATOM 561 O CYS A 77 -6.366 3.923 -9.805 1.00 31.54 O ATOM 562 CB CYS A 77 -3.966 5.741 -9.699 1.00 20.80 C ATOM 563 SG CYS A 77 -2.488 6.574 -10.403 1.00 21.58 S ATOM 0 H CYS A 77 -4.526 5.253 -12.118 1.00 22.66 H new ATOM 0 HA CYS A 77 -3.289 3.845 -10.342 1.00 20.93 H new ATOM 0 HB2 CYS A 77 -4.760 6.278 -9.849 1.00 20.80 H new ATOM 0 HB3 CYS A 77 -3.871 5.638 -8.739 1.00 20.80 H new ATOM 564 N LYS A 78 -4.762 2.658 -8.731 1.00 25.36 N ATOM 565 CA LYS A 78 -5.618 1.988 -7.751 1.00 27.19 C ATOM 566 C LYS A 78 -5.413 2.562 -6.388 1.00 30.39 C ATOM 567 O LYS A 78 -6.325 2.466 -5.533 1.00 40.64 O ATOM 568 CB LYS A 78 -5.318 0.473 -7.640 1.00 34.93 C ATOM 569 CG LYS A 78 -5.692 -0.417 -8.822 1.00 53.84 C ATOM 570 CD LYS A 78 -4.853 -1.728 -8.739 1.00 71.19 C ATOM 571 CE LYS A 78 -5.340 -2.911 -9.606 1.00 78.37 C ATOM 572 NZ LYS A 78 -4.782 -2.927 -11.020 1.00 73.69 N ATOM 0 H LYS A 78 -3.945 2.390 -8.704 1.00 25.36 H new ATOM 0 HA LYS A 78 -6.526 2.123 -8.063 1.00 27.19 H new ATOM 0 HB2 LYS A 78 -4.367 0.369 -7.478 1.00 34.93 H new ATOM 0 HB3 LYS A 78 -5.778 0.135 -6.856 1.00 34.93 H new ATOM 0 HG2 LYS A 78 -6.640 -0.622 -8.803 1.00 53.84 H new ATOM 0 HG3 LYS A 78 -5.518 0.042 -9.658 1.00 53.84 H new ATOM 0 HD2 LYS A 78 -3.940 -1.521 -8.992 1.00 71.19 H new ATOM 0 HD3 LYS A 78 -4.832 -2.018 -7.813 1.00 71.19 H new ATOM 0 HE2 LYS A 78 -5.099 -3.741 -9.166 1.00 78.37 H new ATOM 0 HE3 LYS A 78 -6.309 -2.886 -9.653 1.00 78.37 H new ATOM 0 HZ1 LYS A 78 -5.104 -3.632 -11.458 1.00 73.69 H new ATOM 0 HZ2 LYS A 78 -5.021 -2.181 -11.442 1.00 73.69 H new ATOM 0 HZ3 LYS A 78 -3.894 -2.978 -10.988 1.00 73.69 H new ATOM 573 N ARG A 79 -4.215 3.116 -6.120 1.00 27.50 N ATOM 574 CA ARG A 79 -3.859 3.574 -4.797 1.00 28.91 C ATOM 575 C ARG A 79 -3.506 5.076 -4.952 1.00 25.93 C ATOM 576 O ARG A 79 -3.378 5.613 -6.076 1.00 23.16 O ATOM 577 CB ARG A 79 -2.546 2.927 -4.279 1.00 30.96 C ATOM 578 CG ARG A 79 -2.408 1.428 -4.448 1.00 56.41 C ATOM 579 CD ARG A 79 -2.883 0.704 -3.185 1.00 68.39 C ATOM 580 NE ARG A 79 -3.749 -0.461 -3.438 1.00 82.44 N ATOM 581 CZ ARG A 79 -4.570 -1.001 -2.526 1.00 91.90 C ATOM 582 NH1 ARG A 79 -4.668 -0.484 -1.293 1.00 83.32 N ATOM 583 NH2 ARG A 79 -5.312 -2.057 -2.846 1.00 87.98 N ATOM 0 H ARG A 79 -3.599 3.229 -6.709 1.00 27.50 H new ATOM 0 HA ARG A 79 -4.590 3.366 -4.194 1.00 28.91 H new ATOM 0 HB2 ARG A 79 -1.801 3.352 -4.732 1.00 30.96 H new ATOM 0 HB3 ARG A 79 -2.459 3.134 -3.335 1.00 30.96 H new ATOM 0 HG2 ARG A 79 -2.928 1.133 -5.212 1.00 56.41 H new ATOM 0 HG3 ARG A 79 -1.483 1.201 -4.630 1.00 56.41 H new ATOM 0 HD2 ARG A 79 -2.107 0.412 -2.682 1.00 68.39 H new ATOM 0 HD3 ARG A 79 -3.363 1.334 -2.626 1.00 68.39 H new ATOM 0 HE ARG A 79 -3.726 -0.817 -4.220 1.00 82.44 H new ATOM 0 HH11 ARG A 79 -4.200 0.204 -1.077 1.00 83.32 H new ATOM 0 HH12 ARG A 79 -5.199 -0.841 -0.718 1.00 83.32 H new ATOM 0 HH21 ARG A 79 -5.265 -2.392 -3.637 1.00 87.98 H new ATOM 0 HH22 ARG A 79 -5.839 -2.405 -2.262 1.00 87.98 H new ATOM 584 N PHE A 80 -3.312 5.727 -3.808 1.00 21.85 N ATOM 585 CA PHE A 80 -2.909 7.168 -3.852 1.00 21.72 C ATOM 586 C PHE A 80 -1.467 7.339 -4.274 1.00 23.79 C ATOM 587 O PHE A 80 -0.659 6.392 -4.255 1.00 25.03 O ATOM 588 CB PHE A 80 -3.108 7.790 -2.519 1.00 20.53 C ATOM 589 CG PHE A 80 -4.553 7.844 -2.090 1.00 18.93 C ATOM 590 CD1 PHE A 80 -5.586 8.288 -2.961 1.00 21.54 C ATOM 591 CD2 PHE A 80 -4.847 7.574 -0.753 1.00 23.78 C ATOM 592 CE1 PHE A 80 -6.914 8.325 -2.530 1.00 22.31 C ATOM 593 CE2 PHE A 80 -6.169 7.624 -0.299 1.00 26.19 C ATOM 594 CZ PHE A 80 -7.188 7.996 -1.200 1.00 26.32 C ATOM 0 H PHE A 80 -3.399 5.388 -3.022 1.00 21.85 H new ATOM 0 HA PHE A 80 -3.469 7.606 -4.512 1.00 21.72 H new ATOM 0 HB2 PHE A 80 -2.600 7.292 -1.859 1.00 20.53 H new ATOM 0 HB3 PHE A 80 -2.748 8.691 -2.533 1.00 20.53 H new ATOM 0 HD1 PHE A 80 -5.375 8.556 -3.826 1.00 21.54 H new ATOM 0 HD2 PHE A 80 -4.162 7.360 -0.162 1.00 23.78 H new ATOM 0 HE1 PHE A 80 -7.598 8.563 -3.113 1.00 22.31 H new ATOM 0 HE2 PHE A 80 -6.373 7.415 0.584 1.00 26.19 H new ATOM 0 HZ PHE A 80 -8.068 8.023 -0.900 1.00 26.32 H new ATOM 595 N GLY A 81 -1.137 8.557 -4.707 1.00 21.11 N ATOM 596 CA GLY A 81 0.168 8.777 -5.310 1.00 18.28 C ATOM 597 C GLY A 81 1.222 9.241 -4.310 1.00 16.75 C ATOM 598 O GLY A 81 0.906 9.735 -3.229 1.00 20.21 O ATOM 0 H GLY A 81 -1.643 9.251 -4.661 1.00 21.11 H new ATOM 0 HA2 GLY A 81 0.467 7.954 -5.728 1.00 18.28 H new ATOM 0 HA3 GLY A 81 0.085 9.439 -6.014 1.00 18.28 H new ATOM 599 N ARG A 82 2.466 9.107 -4.760 1.00 17.58 N ATOM 600 CA ARG A 82 3.601 9.517 -3.929 1.00 17.74 C ATOM 601 C ARG A 82 3.714 11.066 -3.875 1.00 17.29 C ATOM 602 O ARG A 82 3.700 11.700 -4.943 1.00 17.64 O ATOM 603 CB ARG A 82 4.862 8.914 -4.604 1.00 19.42 C ATOM 604 CG ARG A 82 6.131 9.110 -3.790 1.00 28.44 C ATOM 605 CD ARG A 82 7.135 8.129 -4.474 1.00 37.37 C ATOM 606 NE ARG A 82 8.365 8.002 -3.731 1.00 41.66 N ATOM 607 CZ ARG A 82 9.342 8.923 -3.737 1.00 40.01 C ATOM 608 NH1 ARG A 82 9.285 10.043 -4.469 1.00 40.32 N ATOM 609 NH2 ARG A 82 10.407 8.710 -3.015 1.00 45.44 N ATOM 0 H ARG A 82 2.675 8.787 -5.530 1.00 17.58 H new ATOM 0 HA ARG A 82 3.497 9.207 -3.016 1.00 17.74 H new ATOM 0 HB2 ARG A 82 4.721 7.965 -4.749 1.00 19.42 H new ATOM 0 HB3 ARG A 82 4.979 9.320 -5.477 1.00 19.42 H new ATOM 0 HG2 ARG A 82 6.443 10.028 -3.826 1.00 28.44 H new ATOM 0 HG3 ARG A 82 5.996 8.892 -2.854 1.00 28.44 H new ATOM 0 HD2 ARG A 82 6.722 7.256 -4.563 1.00 37.37 H new ATOM 0 HD3 ARG A 82 7.332 8.443 -5.370 1.00 37.37 H new ATOM 0 HE ARG A 82 8.479 7.294 -3.256 1.00 41.66 H new ATOM 0 HH11 ARG A 82 8.600 10.198 -4.965 1.00 40.32 H new ATOM 0 HH12 ARG A 82 9.934 10.607 -4.443 1.00 40.32 H new ATOM 0 HH21 ARG A 82 10.473 7.991 -2.548 1.00 45.44 H new ATOM 0 HH22 ARG A 82 11.043 9.289 -3.006 1.00 45.44 H new ATOM 610 N PRO A 83 3.908 11.681 -2.677 1.00 17.17 N ATOM 611 CA PRO A 83 4.099 13.141 -2.653 1.00 15.09 C ATOM 612 C PRO A 83 5.318 13.579 -3.462 1.00 14.97 C ATOM 613 O PRO A 83 6.276 12.802 -3.605 1.00 17.44 O ATOM 614 CB PRO A 83 4.285 13.488 -1.140 1.00 16.87 C ATOM 615 CG PRO A 83 3.636 12.311 -0.464 1.00 21.14 C ATOM 616 CD PRO A 83 3.926 11.121 -1.307 1.00 18.73 C ATOM 0 HA PRO A 83 3.347 13.602 -3.056 1.00 15.09 H new ATOM 0 HB2 PRO A 83 5.221 13.573 -0.900 1.00 16.87 H new ATOM 0 HB3 PRO A 83 3.854 14.325 -0.904 1.00 16.87 H new ATOM 0 HG2 PRO A 83 3.987 12.192 0.432 1.00 21.14 H new ATOM 0 HG3 PRO A 83 2.679 12.447 -0.378 1.00 21.14 H new ATOM 0 HD2 PRO A 83 4.785 10.727 -1.090 1.00 18.73 H new ATOM 0 HD3 PRO A 83 3.258 10.427 -1.193 1.00 18.73 H new ATOM 617 N PRO A 84 5.387 14.793 -3.944 1.00 14.59 N ATOM 618 CA PRO A 84 4.419 15.874 -3.613 1.00 13.29 C ATOM 619 C PRO A 84 3.260 15.832 -4.601 1.00 15.32 C ATOM 620 O PRO A 84 3.491 15.678 -5.809 1.00 17.91 O ATOM 621 CB PRO A 84 5.279 17.192 -3.771 1.00 15.96 C ATOM 622 CG PRO A 84 6.343 16.773 -4.822 1.00 18.08 C ATOM 623 CD PRO A 84 6.633 15.298 -4.612 1.00 17.68 C ATOM 0 HA PRO A 84 4.025 15.802 -2.730 1.00 13.29 H new ATOM 0 HB2 PRO A 84 4.742 17.939 -4.078 1.00 15.96 H new ATOM 0 HB3 PRO A 84 5.686 17.461 -2.932 1.00 15.96 H new ATOM 0 HG2 PRO A 84 6.016 16.932 -5.721 1.00 18.08 H new ATOM 0 HG3 PRO A 84 7.152 17.298 -4.717 1.00 18.08 H new ATOM 0 HD2 PRO A 84 6.798 14.843 -5.452 1.00 17.68 H new ATOM 0 HD3 PRO A 84 7.417 15.163 -4.057 1.00 17.68 H new ATOM 624 N THR A 85 2.074 16.087 -4.095 1.00 15.07 N ATOM 625 CA THR A 85 0.851 16.103 -4.931 1.00 14.21 C ATOM 626 C THR A 85 -0.146 17.037 -4.388 1.00 14.16 C ATOM 627 O THR A 85 -0.595 16.828 -3.269 1.00 15.69 O ATOM 628 CB THR A 85 0.131 14.707 -4.918 1.00 15.06 C ATOM 629 OG1 THR A 85 -0.132 14.254 -3.577 1.00 16.38 O ATOM 630 CG2 THR A 85 0.922 13.600 -5.650 1.00 15.66 C ATOM 0 H THR A 85 1.936 16.257 -3.263 1.00 15.07 H new ATOM 0 HA THR A 85 1.145 16.353 -5.821 1.00 14.21 H new ATOM 0 HB THR A 85 -0.701 14.858 -5.393 1.00 15.06 H new ATOM 0 HG1 THR A 85 -0.387 14.902 -3.107 1.00 16.38 H new ATOM 0 HG21 THR A 85 0.428 12.767 -5.607 1.00 15.66 H new ATOM 0 HG22 THR A 85 1.049 13.853 -6.578 1.00 15.66 H new ATOM 0 HG23 THR A 85 1.786 13.485 -5.225 1.00 15.66 H new ATOM 631 N THR A 86 -0.533 18.094 -5.114 1.00 12.84 N ATOM 632 CA THR A 86 -1.636 18.947 -4.702 1.00 13.14 C ATOM 633 C THR A 86 -2.928 18.033 -4.827 1.00 13.31 C ATOM 634 O THR A 86 -2.991 17.333 -5.838 1.00 16.44 O ATOM 635 CB THR A 86 -1.810 20.091 -5.724 1.00 13.74 C ATOM 636 OG1 THR A 86 -0.508 20.610 -6.063 1.00 14.38 O ATOM 637 CG2 THR A 86 -2.701 21.178 -5.191 1.00 16.74 C ATOM 0 H THR A 86 -0.161 18.329 -5.853 1.00 12.84 H new ATOM 0 HA THR A 86 -1.491 19.312 -3.815 1.00 13.14 H new ATOM 0 HB THR A 86 -2.241 19.743 -6.520 1.00 13.74 H new ATOM 0 HG1 THR A 86 -0.572 21.111 -6.734 1.00 14.38 H new ATOM 0 HG21 THR A 86 -2.789 21.879 -5.855 1.00 16.74 H new ATOM 0 HG22 THR A 86 -3.576 20.810 -4.991 1.00 16.74 H new ATOM 0 HG23 THR A 86 -2.313 21.547 -4.382 1.00 16.74 H new ATOM 638 N LEU A 87 -3.813 17.999 -3.849 1.00 13.36 N ATOM 639 CA LEU A 87 -4.929 17.086 -3.893 1.00 14.92 C ATOM 640 C LEU A 87 -6.248 17.755 -3.979 1.00 15.48 C ATOM 641 O LEU A 87 -6.514 18.622 -3.141 1.00 15.09 O ATOM 642 CB LEU A 87 -4.911 16.197 -2.587 1.00 14.49 C ATOM 643 CG LEU A 87 -3.687 15.255 -2.571 1.00 15.11 C ATOM 644 CD1 LEU A 87 -3.613 14.689 -1.134 1.00 16.89 C ATOM 645 CD2 LEU A 87 -3.794 14.191 -3.635 1.00 18.31 C ATOM 0 H LEU A 87 -3.783 18.499 -3.150 1.00 13.36 H new ATOM 0 HA LEU A 87 -4.823 16.559 -4.700 1.00 14.92 H new ATOM 0 HB2 LEU A 87 -4.893 16.769 -1.804 1.00 14.49 H new ATOM 0 HB3 LEU A 87 -5.726 15.674 -2.537 1.00 14.49 H new ATOM 0 HG LEU A 87 -2.864 15.721 -2.787 1.00 15.11 H new ATOM 0 HD11 LEU A 87 -2.857 14.085 -1.062 1.00 16.89 H new ATOM 0 HD12 LEU A 87 -3.505 15.418 -0.504 1.00 16.89 H new ATOM 0 HD13 LEU A 87 -4.431 14.208 -0.933 1.00 16.89 H new ATOM 0 HD21 LEU A 87 -3.013 13.617 -3.599 1.00 18.31 H new ATOM 0 HD22 LEU A 87 -4.592 13.660 -3.483 1.00 18.31 H new ATOM 0 HD23 LEU A 87 -3.847 14.610 -4.508 1.00 18.31 H new ATOM 646 N ALA A 88 -7.154 17.293 -4.904 1.00 14.28 N ATOM 647 CA ALA A 88 -8.561 17.660 -4.829 1.00 13.24 C ATOM 648 C ALA A 88 -9.239 16.437 -4.087 1.00 14.61 C ATOM 649 O ALA A 88 -9.008 15.281 -4.461 1.00 18.28 O ATOM 650 CB ALA A 88 -9.128 17.789 -6.257 1.00 14.06 C ATOM 0 H ALA A 88 -6.953 16.776 -5.561 1.00 14.28 H new ATOM 0 HA ALA A 88 -8.714 18.503 -4.373 1.00 13.24 H new ATOM 0 HB1 ALA A 88 -10.066 18.033 -6.212 1.00 14.06 H new ATOM 0 HB2 ALA A 88 -8.638 18.474 -6.739 1.00 14.06 H new ATOM 0 HB3 ALA A 88 -9.037 16.941 -6.719 1.00 14.06 H new ATOM 651 N GLU A 89 -9.902 16.748 -2.963 1.00 14.68 N ATOM 652 CA GLU A 89 -10.446 15.665 -2.107 1.00 14.46 C ATOM 653 C GLU A 89 -11.980 15.872 -2.003 1.00 16.16 C ATOM 654 O GLU A 89 -12.519 17.000 -1.906 1.00 17.81 O ATOM 655 CB GLU A 89 -9.880 15.815 -0.669 1.00 16.88 C ATOM 656 CG GLU A 89 -8.328 15.805 -0.748 1.00 18.94 C ATOM 657 CD GLU A 89 -7.767 15.823 0.680 1.00 18.57 C ATOM 658 OE1 GLU A 89 -8.184 16.695 1.482 1.00 20.06 O ATOM 659 OE2 GLU A 89 -6.923 14.926 0.929 1.00 21.99 O ATOM 0 H GLU A 89 -10.047 17.548 -2.681 1.00 14.68 H new ATOM 0 HA GLU A 89 -10.214 14.801 -2.482 1.00 14.46 H new ATOM 0 HB2 GLU A 89 -10.192 16.641 -0.268 1.00 16.88 H new ATOM 0 HB3 GLU A 89 -10.194 15.090 -0.106 1.00 16.88 H new ATOM 0 HG2 GLU A 89 -8.020 15.016 -1.221 1.00 18.94 H new ATOM 0 HG3 GLU A 89 -8.011 16.576 -1.244 1.00 18.94 H new ATOM 660 N PHE A 90 -12.669 14.717 -1.981 1.00 17.84 N ATOM 661 CA PHE A 90 -14.117 14.833 -1.917 1.00 18.09 C ATOM 662 C PHE A 90 -14.714 13.601 -1.234 1.00 17.16 C ATOM 663 O PHE A 90 -14.242 12.472 -1.389 1.00 18.61 O ATOM 664 CB PHE A 90 -14.732 14.973 -3.364 1.00 18.48 C ATOM 665 CG PHE A 90 -14.152 14.025 -4.368 1.00 17.43 C ATOM 666 CD1 PHE A 90 -12.976 14.380 -5.061 1.00 19.83 C ATOM 667 CD2 PHE A 90 -14.726 12.783 -4.638 1.00 22.15 C ATOM 668 CE1 PHE A 90 -12.415 13.491 -5.948 1.00 20.33 C ATOM 669 CE2 PHE A 90 -14.177 11.921 -5.569 1.00 21.16 C ATOM 670 CZ PHE A 90 -12.986 12.273 -6.192 1.00 21.36 C ATOM 0 H PHE A 90 -12.342 13.922 -2.001 1.00 17.84 H new ATOM 0 HA PHE A 90 -14.333 15.627 -1.404 1.00 18.09 H new ATOM 0 HB2 PHE A 90 -15.690 14.829 -3.313 1.00 18.48 H new ATOM 0 HB3 PHE A 90 -14.598 15.882 -3.676 1.00 18.48 H new ATOM 0 HD1 PHE A 90 -12.582 15.210 -4.919 1.00 19.83 H new ATOM 0 HD2 PHE A 90 -15.495 12.529 -4.181 1.00 22.15 H new ATOM 0 HE1 PHE A 90 -11.631 13.723 -6.391 1.00 20.33 H new ATOM 0 HE2 PHE A 90 -14.598 11.118 -5.775 1.00 21.16 H new ATOM 0 HZ PHE A 90 -12.576 11.678 -6.777 1.00 21.36 H new ATOM 671 N SER A 91 -15.848 13.869 -0.599 1.00 18.38 N ATOM 672 CA SER A 91 -16.734 12.820 -0.042 1.00 22.71 C ATOM 673 C SER A 91 -18.155 13.148 -0.509 1.00 19.10 C ATOM 674 O SER A 91 -18.607 14.261 -0.313 1.00 21.90 O ATOM 675 CB SER A 91 -16.561 12.826 1.479 1.00 24.11 C ATOM 676 OG SER A 91 -15.358 12.129 1.770 1.00 27.69 O ATOM 0 H SER A 91 -16.138 14.669 -0.472 1.00 18.38 H new ATOM 0 HA SER A 91 -16.524 11.923 -0.345 1.00 22.71 H new ATOM 0 HB2 SER A 91 -16.519 13.735 1.815 1.00 24.11 H new ATOM 0 HB3 SER A 91 -17.317 12.398 1.911 1.00 24.11 H new ATOM 0 HG SER A 91 -15.541 11.389 2.123 1.00 27.69 H new ATOM 677 N LEU A 92 -18.774 12.166 -1.199 1.00 19.20 N ATOM 678 CA LEU A 92 -20.016 12.515 -1.930 1.00 21.50 C ATOM 679 C LEU A 92 -21.218 11.922 -1.151 1.00 21.70 C ATOM 680 O LEU A 92 -21.112 10.814 -0.634 1.00 25.35 O ATOM 681 CB LEU A 92 -19.993 11.960 -3.352 1.00 20.21 C ATOM 682 CG LEU A 92 -18.775 12.507 -4.194 1.00 21.96 C ATOM 683 CD1 LEU A 92 -18.885 11.835 -5.537 1.00 22.91 C ATOM 684 CD2 LEU A 92 -18.712 14.006 -4.218 1.00 22.01 C ATOM 0 H LEU A 92 -18.515 11.348 -1.257 1.00 19.20 H new ATOM 0 HA LEU A 92 -20.092 13.480 -1.993 1.00 21.50 H new ATOM 0 HB2 LEU A 92 -19.950 10.992 -3.317 1.00 20.21 H new ATOM 0 HB3 LEU A 92 -20.822 12.191 -3.800 1.00 20.21 H new ATOM 0 HG LEU A 92 -17.919 12.287 -3.795 1.00 21.96 H new ATOM 0 HD11 LEU A 92 -18.159 12.131 -6.108 1.00 22.91 H new ATOM 0 HD12 LEU A 92 -18.834 10.873 -5.423 1.00 22.91 H new ATOM 0 HD13 LEU A 92 -19.733 12.067 -5.947 1.00 22.91 H new ATOM 0 HD21 LEU A 92 -17.949 14.290 -4.746 1.00 22.01 H new ATOM 0 HD22 LEU A 92 -19.526 14.358 -4.611 1.00 22.01 H new ATOM 0 HD23 LEU A 92 -18.620 14.341 -3.312 1.00 22.01 H new ATOM 685 N ASN A 93 -22.308 12.681 -1.116 1.00 23.20 N ATOM 686 CA ASN A 93 -23.651 12.140 -0.582 1.00 24.85 C ATOM 687 C ASN A 93 -23.469 11.638 0.849 1.00 25.78 C ATOM 688 O ASN A 93 -23.749 10.459 1.138 1.00 26.79 O ATOM 689 CB ASN A 93 -24.164 10.959 -1.445 1.00 22.03 C ATOM 690 CG ASN A 93 -24.317 11.326 -2.931 1.00 25.91 C ATOM 691 OD1 ASN A 93 -23.354 10.880 -3.667 1.00 30.41 O flip ATOM 692 ND2 ASN A 93 -25.251 12.086 -3.377 1.00 23.72 N flip ATOM 0 H ASN A 93 -22.334 13.499 -1.381 1.00 23.20 H new ATOM 0 HA ASN A 93 -24.295 12.864 -0.615 1.00 24.85 H new ATOM 0 HB2 ASN A 93 -23.549 10.213 -1.362 1.00 22.03 H new ATOM 0 HB3 ASN A 93 -25.020 10.661 -1.100 1.00 22.03 H new ATOM 0 HD21 ASN A 93 -25.872 12.359 -2.849 1.00 23.72 H new ATOM 0 HD22 ASN A 93 -25.255 12.322 -4.204 1.00 23.72 H new ATOM 693 N GLN A 94 -22.892 12.496 1.684 1.00 26.22 N ATOM 694 CA GLN A 94 -22.644 12.184 3.126 1.00 27.93 C ATOM 695 C GLN A 94 -23.769 12.918 3.856 1.00 26.01 C ATOM 696 O GLN A 94 -23.816 14.181 4.022 1.00 26.94 O ATOM 697 CB GLN A 94 -21.247 12.637 3.611 1.00 27.53 C ATOM 698 CG GLN A 94 -20.141 12.028 2.726 1.00 31.46 C ATOM 699 CD GLN A 94 -20.131 10.520 2.884 1.00 39.64 C ATOM 700 OE1 GLN A 94 -20.069 10.047 4.028 1.00 43.76 O ATOM 701 NE2 GLN A 94 -20.176 9.749 1.796 1.00 35.01 N ATOM 0 H GLN A 94 -22.627 13.279 1.448 1.00 26.22 H new ATOM 0 HA GLN A 94 -22.646 11.229 3.294 1.00 27.93 H new ATOM 0 HB2 GLN A 94 -21.190 13.605 3.589 1.00 27.53 H new ATOM 0 HB3 GLN A 94 -21.116 12.366 4.533 1.00 27.53 H new ATOM 0 HG2 GLN A 94 -20.292 12.263 1.797 1.00 31.46 H new ATOM 0 HG3 GLN A 94 -19.278 12.394 2.975 1.00 31.46 H new ATOM 0 HE21 GLN A 94 -20.219 10.108 1.016 1.00 35.01 H new ATOM 0 HE22 GLN A 94 -20.162 8.893 1.875 1.00 35.01 H new ATOM 702 N TYR A 95 -24.797 12.089 4.207 1.00 28.93 N ATOM 703 CA TYR A 95 -26.007 12.717 4.861 1.00 30.51 C ATOM 704 C TYR A 95 -26.592 13.912 4.087 1.00 29.21 C ATOM 705 O TYR A 95 -26.909 14.954 4.647 1.00 28.60 O ATOM 706 CB TYR A 95 -25.690 13.089 6.350 1.00 29.66 C ATOM 707 CG TYR A 95 -25.313 11.852 7.113 1.00 37.63 C ATOM 708 CD1 TYR A 95 -26.312 10.966 7.631 1.00 42.20 C ATOM 709 CD2 TYR A 95 -23.960 11.510 7.289 1.00 44.64 C ATOM 710 CE1 TYR A 95 -25.962 9.813 8.335 1.00 49.13 C ATOM 711 CE2 TYR A 95 -23.592 10.360 7.973 1.00 52.42 C ATOM 712 CZ TYR A 95 -24.584 9.523 8.509 1.00 61.99 C ATOM 713 OH TYR A 95 -24.168 8.404 9.194 1.00 65.21 O ATOM 0 H TYR A 95 -24.823 11.237 4.091 1.00 28.93 H new ATOM 0 HA TYR A 95 -26.706 12.045 4.844 1.00 30.51 H new ATOM 0 HB2 TYR A 95 -24.966 13.734 6.384 1.00 29.66 H new ATOM 0 HB3 TYR A 95 -26.463 13.509 6.759 1.00 29.66 H new ATOM 0 HD1 TYR A 95 -27.211 11.163 7.496 1.00 42.20 H new ATOM 0 HD2 TYR A 95 -23.300 12.065 6.941 1.00 44.64 H new ATOM 0 HE1 TYR A 95 -26.615 9.249 8.681 1.00 49.13 H new ATOM 0 HE2 TYR A 95 -22.693 10.145 8.076 1.00 52.42 H new ATOM 0 HH TYR A 95 -23.328 8.379 9.206 1.00 65.21 H new ATOM 714 N GLY A 96 -26.715 13.743 2.767 1.00 28.12 N ATOM 715 CA GLY A 96 -27.364 14.693 1.876 1.00 30.82 C ATOM 716 C GLY A 96 -26.462 15.824 1.360 1.00 34.48 C ATOM 717 O GLY A 96 -26.932 16.756 0.656 1.00 31.45 O ATOM 0 H GLY A 96 -26.412 13.049 2.359 1.00 28.12 H new ATOM 0 HA2 GLY A 96 -27.720 14.209 1.114 1.00 30.82 H new ATOM 0 HA3 GLY A 96 -28.119 15.087 2.340 1.00 30.82 H new ATOM 718 N LYS A 97 -25.166 15.773 1.716 1.00 31.52 N ATOM 719 CA LYS A 97 -24.269 16.900 1.348 1.00 30.26 C ATOM 720 C LYS A 97 -23.053 16.312 0.669 1.00 27.03 C ATOM 721 O LYS A 97 -22.714 15.140 0.896 1.00 24.85 O ATOM 722 CB LYS A 97 -23.844 17.662 2.621 1.00 35.40 C ATOM 723 CG LYS A 97 -24.987 18.431 3.308 1.00 37.02 C ATOM 724 CD LYS A 97 -25.515 19.475 2.342 1.00 45.05 C ATOM 725 CE LYS A 97 -26.624 20.356 2.935 1.00 58.78 C ATOM 726 NZ LYS A 97 -27.275 21.108 1.806 1.00 56.16 N ATOM 0 H LYS A 97 -24.796 15.130 2.150 1.00 31.52 H new ATOM 0 HA LYS A 97 -24.722 17.521 0.756 1.00 30.26 H new ATOM 0 HB2 LYS A 97 -23.467 17.030 3.253 1.00 35.40 H new ATOM 0 HB3 LYS A 97 -23.139 18.288 2.391 1.00 35.40 H new ATOM 0 HG2 LYS A 97 -25.696 17.821 3.566 1.00 37.02 H new ATOM 0 HG3 LYS A 97 -24.668 18.854 4.120 1.00 37.02 H new ATOM 0 HD2 LYS A 97 -24.781 20.041 2.056 1.00 45.05 H new ATOM 0 HD3 LYS A 97 -25.855 19.030 1.550 1.00 45.05 H new ATOM 0 HE2 LYS A 97 -27.277 19.811 3.401 1.00 58.78 H new ATOM 0 HE3 LYS A 97 -26.255 20.974 3.585 1.00 58.78 H new ATOM 0 HZ1 LYS A 97 -27.923 21.626 2.129 1.00 56.16 H new ATOM 0 HZ2 LYS A 97 -26.668 21.613 1.396 1.00 56.16 H new ATOM 0 HZ3 LYS A 97 -27.620 20.530 1.224 1.00 56.16 H new ATOM 727 N ASP A 98 -22.425 17.091 -0.183 1.00 24.94 N ATOM 728 CA ASP A 98 -21.055 16.697 -0.702 1.00 22.91 C ATOM 729 C ASP A 98 -20.041 17.630 -0.026 1.00 20.94 C ATOM 730 O ASP A 98 -20.309 18.808 0.247 1.00 22.05 O ATOM 731 CB ASP A 98 -20.926 17.031 -2.204 1.00 22.08 C ATOM 732 CG ASP A 98 -21.703 16.069 -3.124 1.00 28.03 C ATOM 733 OD1 ASP A 98 -22.247 14.996 -2.702 1.00 27.87 O ATOM 734 OD2 ASP A 98 -21.645 16.339 -4.366 1.00 23.79 O ATOM 0 H ASP A 98 -22.732 17.835 -0.486 1.00 24.94 H new ATOM 0 HA ASP A 98 -20.916 15.751 -0.536 1.00 22.91 H new ATOM 0 HB2 ASP A 98 -21.243 17.935 -2.354 1.00 22.08 H new ATOM 0 HB3 ASP A 98 -19.988 17.015 -2.451 1.00 22.08 H new ATOM 735 N TYR A 99 -18.829 17.082 0.174 1.00 21.97 N ATOM 736 CA TYR A 99 -17.782 17.880 0.895 1.00 22.24 C ATOM 737 C TYR A 99 -16.549 17.916 -0.005 1.00 21.94 C ATOM 738 O TYR A 99 -16.082 16.852 -0.354 1.00 22.38 O ATOM 739 CB TYR A 99 -17.424 17.239 2.212 1.00 23.38 C ATOM 740 CG TYR A 99 -18.553 17.360 3.194 1.00 27.48 C ATOM 741 CD1 TYR A 99 -18.780 18.567 3.844 1.00 31.11 C ATOM 742 CD2 TYR A 99 -19.464 16.293 3.370 1.00 30.98 C ATOM 743 CE1 TYR A 99 -19.862 18.700 4.745 1.00 35.88 C ATOM 744 CE2 TYR A 99 -20.544 16.425 4.246 1.00 33.99 C ATOM 745 CZ TYR A 99 -20.717 17.606 4.936 1.00 34.95 C ATOM 746 OH TYR A 99 -21.749 17.756 5.828 1.00 37.73 O ATOM 0 H TYR A 99 -18.590 16.296 -0.079 1.00 21.97 H new ATOM 0 HA TYR A 99 -18.114 18.772 1.083 1.00 22.24 H new ATOM 0 HB2 TYR A 99 -17.211 16.303 2.073 1.00 23.38 H new ATOM 0 HB3 TYR A 99 -16.629 17.660 2.575 1.00 23.38 H new ATOM 0 HD1 TYR A 99 -18.218 19.291 3.686 1.00 31.11 H new ATOM 0 HD2 TYR A 99 -19.344 15.499 2.900 1.00 30.98 H new ATOM 0 HE1 TYR A 99 -20.003 19.498 5.202 1.00 35.88 H new ATOM 0 HE2 TYR A 99 -21.141 15.722 4.363 1.00 33.99 H new ATOM 0 HH TYR A 99 -22.195 17.045 5.863 1.00 37.73 H new ATOM 747 N ILE A 100 -16.087 19.111 -0.339 1.00 19.02 N ATOM 748 CA ILE A 100 -14.866 19.182 -1.224 1.00 19.65 C ATOM 749 C ILE A 100 -13.805 20.058 -0.565 1.00 20.38 C ATOM 750 O ILE A 100 -14.102 20.975 0.219 1.00 20.69 O ATOM 751 CB ILE A 100 -15.228 19.650 -2.666 1.00 19.15 C ATOM 752 CG1 ILE A 100 -15.704 21.121 -2.690 1.00 20.59 C ATOM 753 CG2 ILE A 100 -16.225 18.676 -3.342 1.00 21.18 C ATOM 754 CD1 ILE A 100 -15.634 21.770 -4.056 1.00 22.37 C ATOM 0 H ILE A 100 -16.422 19.865 -0.096 1.00 19.02 H new ATOM 0 HA ILE A 100 -14.494 18.292 -1.324 1.00 19.65 H new ATOM 0 HB ILE A 100 -14.418 19.625 -3.199 1.00 19.15 H new ATOM 0 HG12 ILE A 100 -16.619 21.160 -2.370 1.00 20.59 H new ATOM 0 HG13 ILE A 100 -15.164 21.636 -2.070 1.00 20.59 H new ATOM 0 HG21 ILE A 100 -16.431 18.992 -4.236 1.00 21.18 H new ATOM 0 HG22 ILE A 100 -15.828 17.792 -3.396 1.00 21.18 H new ATOM 0 HG23 ILE A 100 -17.041 18.633 -2.819 1.00 21.18 H new ATOM 0 HD11 ILE A 100 -15.946 22.686 -3.995 1.00 22.37 H new ATOM 0 HD12 ILE A 100 -14.717 21.761 -4.372 1.00 22.37 H new ATOM 0 HD13 ILE A 100 -16.194 21.279 -4.677 1.00 22.37 H new ATOM 755 N ASP A 101 -12.525 19.789 -0.916 1.00 18.04 N ATOM 756 CA ASP A 101 -11.481 20.690 -0.467 1.00 17.26 C ATOM 757 C ASP A 101 -10.275 20.463 -1.376 1.00 16.63 C ATOM 758 O ASP A 101 -10.215 19.492 -2.141 1.00 15.65 O ATOM 759 CB ASP A 101 -11.055 20.414 1.021 1.00 17.74 C ATOM 760 CG ASP A 101 -10.413 19.050 1.203 1.00 20.11 C ATOM 761 OD1 ASP A 101 -9.192 18.815 0.929 1.00 19.32 O ATOM 762 OD2 ASP A 101 -11.128 18.088 1.645 1.00 22.50 O ATOM 0 H ASP A 101 -12.266 19.120 -1.390 1.00 18.04 H new ATOM 0 HA ASP A 101 -11.810 21.602 -0.507 1.00 17.26 H new ATOM 0 HB2 ASP A 101 -10.433 21.101 1.308 1.00 17.74 H new ATOM 0 HB3 ASP A 101 -11.835 20.479 1.594 1.00 17.74 H new ATOM 763 N ILE A 102 -9.304 21.395 -1.246 1.00 15.27 N ATOM 764 CA ILE A 102 -7.984 21.147 -1.805 1.00 14.77 C ATOM 765 C ILE A 102 -7.004 21.078 -0.617 1.00 15.35 C ATOM 766 O ILE A 102 -7.188 21.746 0.411 1.00 15.72 O ATOM 767 CB ILE A 102 -7.581 22.343 -2.724 1.00 14.74 C ATOM 768 CG1 ILE A 102 -8.372 22.249 -4.066 1.00 18.55 C ATOM 769 CG2 ILE A 102 -6.030 22.241 -3.074 1.00 17.69 C ATOM 770 CD1 ILE A 102 -8.070 23.460 -4.939 1.00 21.37 C ATOM 0 H ILE A 102 -9.398 22.151 -0.847 1.00 15.27 H new ATOM 0 HA ILE A 102 -7.972 20.328 -2.325 1.00 14.77 H new ATOM 0 HB ILE A 102 -7.776 23.175 -2.265 1.00 14.74 H new ATOM 0 HG12 ILE A 102 -8.131 21.435 -4.535 1.00 18.55 H new ATOM 0 HG13 ILE A 102 -9.324 22.201 -3.886 1.00 18.55 H new ATOM 0 HG21 ILE A 102 -5.777 22.983 -3.645 1.00 17.69 H new ATOM 0 HG22 ILE A 102 -5.511 22.272 -2.255 1.00 17.69 H new ATOM 0 HG23 ILE A 102 -5.856 21.405 -3.535 1.00 17.69 H new ATOM 0 HD11 ILE A 102 -8.566 23.392 -5.770 1.00 21.37 H new ATOM 0 HD12 ILE A 102 -8.331 24.269 -4.472 1.00 21.37 H new ATOM 0 HD13 ILE A 102 -7.120 23.491 -5.132 1.00 21.37 H new ATOM 771 N SER A 103 -6.048 20.153 -0.718 1.00 14.73 N ATOM 772 CA SER A 103 -5.104 19.957 0.390 1.00 14.54 C ATOM 773 C SER A 103 -3.677 20.035 -0.141 1.00 12.99 C ATOM 774 O SER A 103 -3.378 19.506 -1.205 1.00 13.83 O ATOM 775 CB SER A 103 -5.326 18.537 0.938 1.00 16.19 C ATOM 776 OG SER A 103 -4.352 18.238 1.939 1.00 18.59 O ATOM 0 H SER A 103 -5.928 19.641 -1.398 1.00 14.73 H new ATOM 0 HA SER A 103 -5.240 20.632 1.073 1.00 14.54 H new ATOM 0 HB2 SER A 103 -6.218 18.463 1.312 1.00 16.19 H new ATOM 0 HB3 SER A 103 -5.267 17.891 0.216 1.00 16.19 H new ATOM 0 HG SER A 103 -4.017 17.483 1.788 1.00 18.59 H new ATOM 777 N ASN A 104 -2.817 20.687 0.682 1.00 14.63 N ATOM 778 CA ASN A 104 -1.352 20.649 0.512 1.00 14.48 C ATOM 779 C ASN A 104 -0.710 19.825 1.623 1.00 15.28 C ATOM 780 O ASN A 104 0.563 19.889 1.817 1.00 15.06 O ATOM 781 CB ASN A 104 -0.783 22.106 0.642 1.00 15.91 C ATOM 782 CG ASN A 104 -1.129 22.966 -0.578 1.00 19.16 C ATOM 783 OD1 ASN A 104 -1.502 24.156 -0.429 1.00 20.30 O ATOM 784 ND2 ASN A 104 -1.070 22.379 -1.726 1.00 16.10 N ATOM 0 H ASN A 104 -3.075 21.161 1.352 1.00 14.63 H new ATOM 0 HA ASN A 104 -1.156 20.262 -0.355 1.00 14.48 H new ATOM 0 HB2 ASN A 104 -1.140 22.522 1.442 1.00 15.91 H new ATOM 0 HB3 ASN A 104 0.180 22.068 0.748 1.00 15.91 H new ATOM 0 HD21 ASN A 104 -1.293 22.805 -2.439 1.00 16.10 H new ATOM 0 HD22 ASN A 104 -0.808 21.562 -1.778 1.00 16.10 H new ATOM 785 N ILE A 105 -1.498 18.957 2.283 1.00 13.72 N ATOM 786 CA ILE A 105 -0.880 18.149 3.402 1.00 15.60 C ATOM 787 C ILE A 105 0.099 17.155 2.823 1.00 15.20 C ATOM 788 O ILE A 105 1.012 16.713 3.584 1.00 14.70 O ATOM 789 CB ILE A 105 -2.044 17.422 4.168 1.00 17.84 C ATOM 790 CG1 ILE A 105 -2.810 18.494 4.959 1.00 17.45 C ATOM 791 CG2 ILE A 105 -1.595 16.251 5.055 1.00 19.26 C ATOM 792 CD1 ILE A 105 -4.176 18.015 5.481 1.00 19.01 C ATOM 0 H ILE A 105 -2.332 18.815 2.128 1.00 13.72 H new ATOM 0 HA ILE A 105 -0.394 18.718 4.019 1.00 15.60 H new ATOM 0 HB ILE A 105 -2.620 16.993 3.516 1.00 17.84 H new ATOM 0 HG12 ILE A 105 -2.267 18.780 5.710 1.00 17.45 H new ATOM 0 HG13 ILE A 105 -2.943 19.270 4.393 1.00 17.45 H new ATOM 0 HG21 ILE A 105 -2.368 15.859 5.490 1.00 19.26 H new ATOM 0 HG22 ILE A 105 -1.157 15.580 4.508 1.00 19.26 H new ATOM 0 HG23 ILE A 105 -0.975 16.574 5.728 1.00 19.26 H new ATOM 0 HD11 ILE A 105 -4.606 18.734 5.969 1.00 19.01 H new ATOM 0 HD12 ILE A 105 -4.735 17.753 4.733 1.00 19.01 H new ATOM 0 HD13 ILE A 105 -4.049 17.255 6.071 1.00 19.01 H new ATOM 793 N LYS A 106 -0.035 16.771 1.532 1.00 14.30 N ATOM 794 CA LYS A 106 0.958 15.877 0.938 1.00 13.86 C ATOM 795 C LYS A 106 1.762 16.686 -0.100 1.00 13.67 C ATOM 796 O LYS A 106 2.278 16.061 -1.098 1.00 14.87 O ATOM 797 CB LYS A 106 0.273 14.659 0.251 1.00 15.87 C ATOM 798 CG LYS A 106 -0.512 13.842 1.275 1.00 20.69 C ATOM 799 CD LYS A 106 0.440 12.771 1.802 1.00 29.82 C ATOM 800 CE LYS A 106 -0.285 11.890 2.821 1.00 33.86 C ATOM 801 NZ LYS A 106 0.829 11.398 3.699 1.00 39.58 N ATOM 0 H LYS A 106 -0.673 17.013 1.009 1.00 14.30 H new ATOM 0 HA LYS A 106 1.543 15.531 1.630 1.00 13.86 H new ATOM 0 HB2 LYS A 106 -0.322 14.968 -0.450 1.00 15.87 H new ATOM 0 HB3 LYS A 106 0.943 14.100 -0.172 1.00 15.87 H new ATOM 0 HG2 LYS A 106 -0.829 14.407 1.997 1.00 20.69 H new ATOM 0 HG3 LYS A 106 -1.294 13.438 0.867 1.00 20.69 H new ATOM 0 HD2 LYS A 106 0.768 12.228 1.068 1.00 29.82 H new ATOM 0 HD3 LYS A 106 1.213 13.188 2.214 1.00 29.82 H new ATOM 0 HE2 LYS A 106 -0.944 12.392 3.325 1.00 33.86 H new ATOM 0 HE3 LYS A 106 -0.754 11.157 2.392 1.00 33.86 H new ATOM 0 HZ1 LYS A 106 0.496 10.869 4.332 1.00 39.58 H new ATOM 0 HZ2 LYS A 106 1.414 10.941 3.208 1.00 39.58 H new ATOM 0 HZ3 LYS A 106 1.238 12.092 4.078 1.00 39.58 H new ATOM 802 N GLY A 107 1.916 18.003 0.134 1.00 14.73 N ATOM 803 CA GLY A 107 2.831 18.846 -0.721 1.00 13.50 C ATOM 804 C GLY A 107 2.045 19.333 -1.942 1.00 15.45 C ATOM 805 O GLY A 107 0.811 19.235 -2.024 1.00 16.46 O ATOM 0 H GLY A 107 1.517 18.432 0.763 1.00 14.73 H new ATOM 0 HA2 GLY A 107 3.166 19.601 -0.213 1.00 13.50 H new ATOM 0 HA3 GLY A 107 3.602 18.328 -1.001 1.00 13.50 H new ATOM 806 N PHE A 108 2.800 19.913 -2.813 1.00 14.18 N ATOM 807 CA PHE A 108 2.254 20.612 -3.980 1.00 14.94 C ATOM 808 C PHE A 108 3.075 20.336 -5.182 1.00 14.78 C ATOM 809 O PHE A 108 4.300 20.304 -5.174 1.00 13.50 O ATOM 810 CB PHE A 108 2.258 22.144 -3.680 1.00 15.71 C ATOM 811 CG PHE A 108 1.787 23.021 -4.843 1.00 13.86 C ATOM 812 CD1 PHE A 108 2.688 23.320 -5.908 1.00 14.56 C ATOM 813 CD2 PHE A 108 0.491 23.586 -4.824 1.00 14.01 C ATOM 814 CE1 PHE A 108 2.287 24.166 -6.959 1.00 16.18 C ATOM 815 CE2 PHE A 108 0.090 24.454 -5.864 1.00 17.77 C ATOM 816 CZ PHE A 108 0.970 24.708 -6.923 1.00 14.35 C ATOM 0 H PHE A 108 3.659 19.926 -2.765 1.00 14.18 H new ATOM 0 HA PHE A 108 1.351 20.303 -4.152 1.00 14.94 H new ATOM 0 HB2 PHE A 108 1.690 22.313 -2.912 1.00 15.71 H new ATOM 0 HB3 PHE A 108 3.157 22.411 -3.432 1.00 15.71 H new ATOM 0 HD1 PHE A 108 3.543 22.955 -5.908 1.00 14.56 H new ATOM 0 HD2 PHE A 108 -0.095 23.387 -4.130 1.00 14.01 H new ATOM 0 HE1 PHE A 108 2.866 24.366 -7.658 1.00 16.18 H new ATOM 0 HE2 PHE A 108 -0.750 24.853 -5.845 1.00 17.77 H new ATOM 0 HZ PHE A 108 0.686 25.248 -7.625 1.00 14.35 H new ATOM 817 N ASN A 109 2.392 20.003 -6.281 1.00 13.86 N ATOM 818 CA ASN A 109 3.119 19.801 -7.555 1.00 13.03 C ATOM 819 C ASN A 109 2.551 20.704 -8.675 1.00 14.43 C ATOM 820 O ASN A 109 3.384 21.319 -9.405 1.00 17.51 O ATOM 821 CB ASN A 109 3.273 18.311 -8.012 1.00 13.75 C ATOM 822 CG ASN A 109 1.936 17.617 -8.280 1.00 13.88 C ATOM 823 OD1 ASN A 109 0.891 18.112 -7.795 1.00 18.21 O flip ATOM 824 ND2 ASN A 109 1.963 16.597 -9.036 1.00 11.20 N flip ATOM 0 H ASN A 109 1.540 19.891 -6.319 1.00 13.86 H new ATOM 0 HA ASN A 109 4.030 20.078 -7.369 1.00 13.03 H new ATOM 0 HB2 ASN A 109 3.813 18.281 -8.817 1.00 13.75 H new ATOM 0 HB3 ASN A 109 3.755 17.818 -7.329 1.00 13.75 H new ATOM 0 HD21 ASN A 109 2.714 16.305 -9.337 1.00 11.20 H new ATOM 0 HD22 ASN A 109 1.231 16.198 -9.247 1.00 11.20 H new ATOM 825 N VAL A 110 1.241 20.804 -8.814 1.00 14.89 N ATOM 826 CA VAL A 110 0.690 21.514 -9.952 1.00 17.94 C ATOM 827 C VAL A 110 -0.405 22.394 -9.309 1.00 15.35 C ATOM 828 O VAL A 110 -1.185 21.927 -8.434 1.00 16.23 O ATOM 829 CB VAL A 110 0.115 20.448 -10.953 1.00 19.43 C ATOM 830 CG1 VAL A 110 -0.765 21.091 -12.005 1.00 21.27 C ATOM 831 CG2 VAL A 110 1.239 19.538 -11.585 1.00 19.51 C ATOM 0 H VAL A 110 0.662 20.474 -8.271 1.00 14.89 H new ATOM 0 HA VAL A 110 1.316 22.053 -10.460 1.00 17.94 H new ATOM 0 HB VAL A 110 -0.448 19.852 -10.435 1.00 19.43 H new ATOM 0 HG11 VAL A 110 -1.103 20.408 -12.606 1.00 21.27 H new ATOM 0 HG12 VAL A 110 -1.509 21.540 -11.574 1.00 21.27 H new ATOM 0 HG13 VAL A 110 -0.247 21.737 -12.510 1.00 21.27 H new ATOM 0 HG21 VAL A 110 0.835 18.899 -12.193 1.00 19.51 H new ATOM 0 HG22 VAL A 110 1.869 20.092 -12.071 1.00 19.51 H new ATOM 0 HG23 VAL A 110 1.705 19.062 -10.880 1.00 19.51 H new ATOM 832 N PRO A 111 -0.603 23.648 -9.790 1.00 14.90 N ATOM 833 CA PRO A 111 -1.686 24.504 -9.300 1.00 14.78 C ATOM 834 C PRO A 111 -3.042 23.934 -9.774 1.00 15.79 C ATOM 835 O PRO A 111 -3.115 23.257 -10.791 1.00 15.68 O ATOM 836 CB PRO A 111 -1.404 25.898 -9.897 1.00 15.47 C ATOM 837 CG PRO A 111 -0.453 25.632 -11.044 1.00 19.06 C ATOM 838 CD PRO A 111 0.233 24.289 -10.837 1.00 16.81 C ATOM 0 HA PRO A 111 -1.728 24.551 -8.332 1.00 14.78 H new ATOM 0 HB2 PRO A 111 -2.220 26.322 -10.206 1.00 15.47 H new ATOM 0 HB3 PRO A 111 -1.008 26.491 -9.239 1.00 15.47 H new ATOM 0 HG2 PRO A 111 -0.937 25.632 -11.884 1.00 19.06 H new ATOM 0 HG3 PRO A 111 0.209 26.339 -11.098 1.00 19.06 H new ATOM 0 HD2 PRO A 111 0.252 23.765 -11.653 1.00 16.81 H new ATOM 0 HD3 PRO A 111 1.153 24.396 -10.548 1.00 16.81 H new ATOM 839 N MET A 112 -4.053 24.200 -8.972 1.00 16.10 N ATOM 840 CA MET A 112 -5.379 23.540 -9.209 1.00 15.85 C ATOM 841 C MET A 112 -6.535 24.427 -8.794 1.00 17.80 C ATOM 842 O MET A 112 -6.465 25.160 -7.821 1.00 17.33 O ATOM 843 CB MET A 112 -5.392 22.216 -8.353 1.00 21.43 C ATOM 844 CG MET A 112 -6.671 21.473 -8.308 1.00 28.09 C ATOM 845 SD MET A 112 -6.403 20.219 -7.008 1.00 24.61 S ATOM 846 CE MET A 112 -5.251 19.086 -7.827 1.00 22.83 C ATOM 0 H MET A 112 -4.023 24.736 -8.301 1.00 16.10 H new ATOM 0 HA MET A 112 -5.488 23.360 -10.156 1.00 15.85 H new ATOM 0 HB2 MET A 112 -4.708 21.623 -8.701 1.00 21.43 H new ATOM 0 HB3 MET A 112 -5.138 22.439 -7.444 1.00 21.43 H new ATOM 0 HG2 MET A 112 -7.414 22.057 -8.091 1.00 28.09 H new ATOM 0 HG3 MET A 112 -6.874 21.062 -9.163 1.00 28.09 H new ATOM 0 HE1 MET A 112 -5.504 18.170 -7.632 1.00 22.83 H new ATOM 0 HE2 MET A 112 -5.280 19.232 -8.786 1.00 22.83 H new ATOM 0 HE3 MET A 112 -4.351 19.248 -7.503 1.00 22.83 H new ATOM 847 N ASN A 113 -7.644 24.392 -9.577 1.00 16.89 N ATOM 848 CA ASN A 113 -8.911 24.952 -9.146 1.00 17.10 C ATOM 849 C ASN A 113 -9.874 23.727 -9.066 1.00 16.67 C ATOM 850 O ASN A 113 -9.827 22.811 -9.903 1.00 17.29 O ATOM 851 CB ASN A 113 -9.415 25.916 -10.242 1.00 16.59 C ATOM 852 CG ASN A 113 -10.781 26.507 -9.892 1.00 20.58 C ATOM 853 OD1 ASN A 113 -10.846 27.515 -9.260 1.00 22.68 O ATOM 854 ND2 ASN A 113 -11.825 25.803 -10.182 1.00 19.84 N ATOM 0 H ASN A 113 -7.663 24.042 -10.362 1.00 16.89 H new ATOM 0 HA ASN A 113 -8.849 25.433 -8.306 1.00 17.10 H new ATOM 0 HB2 ASN A 113 -8.773 26.633 -10.362 1.00 16.59 H new ATOM 0 HB3 ASN A 113 -9.474 25.443 -11.087 1.00 16.59 H new ATOM 0 HD21 ASN A 113 -12.602 26.057 -9.917 1.00 19.84 H new ATOM 0 HD22 ASN A 113 -11.742 25.080 -10.640 1.00 19.84 H new ATOM 855 N PHE A 114 -10.738 23.739 -8.047 1.00 16.39 N ATOM 856 CA PHE A 114 -11.698 22.632 -7.890 1.00 15.53 C ATOM 857 C PHE A 114 -13.082 23.296 -7.612 1.00 19.72 C ATOM 858 O PHE A 114 -13.258 23.926 -6.578 1.00 20.60 O ATOM 859 CB PHE A 114 -11.262 21.758 -6.708 1.00 16.47 C ATOM 860 CG PHE A 114 -12.111 20.524 -6.435 1.00 17.35 C ATOM 861 CD1 PHE A 114 -13.162 20.063 -7.284 1.00 19.36 C ATOM 862 CD2 PHE A 114 -11.885 19.831 -5.222 1.00 17.22 C ATOM 863 CE1 PHE A 114 -13.838 18.864 -6.977 1.00 19.33 C ATOM 864 CE2 PHE A 114 -12.569 18.661 -4.877 1.00 19.23 C ATOM 865 CZ PHE A 114 -13.553 18.172 -5.750 1.00 17.51 C ATOM 0 H PHE A 114 -10.788 24.357 -7.451 1.00 16.39 H new ATOM 0 HA PHE A 114 -11.743 22.066 -8.676 1.00 15.53 H new ATOM 0 HB2 PHE A 114 -10.348 21.471 -6.862 1.00 16.47 H new ATOM 0 HB3 PHE A 114 -11.256 22.307 -5.908 1.00 16.47 H new ATOM 0 HD1 PHE A 114 -13.400 20.552 -8.038 1.00 19.36 H new ATOM 0 HD2 PHE A 114 -11.254 20.168 -4.628 1.00 17.22 H new ATOM 0 HE1 PHE A 114 -14.468 18.521 -7.569 1.00 19.33 H new ATOM 0 HE2 PHE A 114 -12.375 18.215 -4.084 1.00 19.23 H new ATOM 0 HZ PHE A 114 -14.022 17.398 -5.534 1.00 17.51 H new ATOM 866 N SER A 115 -13.978 23.266 -8.618 1.00 18.61 N ATOM 867 CA SER A 115 -15.236 24.098 -8.627 1.00 19.84 C ATOM 868 C SER A 115 -16.417 23.217 -8.976 1.00 21.96 C ATOM 869 O SER A 115 -16.302 22.276 -9.782 1.00 22.13 O ATOM 870 CB SER A 115 -15.176 25.207 -9.653 1.00 21.67 C ATOM 871 OG SER A 115 -14.288 26.166 -9.171 1.00 27.57 O ATOM 0 H SER A 115 -13.886 22.771 -9.315 1.00 18.61 H new ATOM 0 HA SER A 115 -15.328 24.489 -7.744 1.00 19.84 H new ATOM 0 HB2 SER A 115 -14.878 24.865 -10.510 1.00 21.67 H new ATOM 0 HB3 SER A 115 -16.055 25.593 -9.792 1.00 21.67 H new ATOM 0 HG SER A 115 -14.333 26.855 -9.649 1.00 27.57 H new ATOM 872 N PRO A 116 -17.578 23.474 -8.339 1.00 23.14 N ATOM 873 CA PRO A 116 -18.804 22.791 -8.819 1.00 22.88 C ATOM 874 C PRO A 116 -19.174 23.328 -10.205 1.00 25.89 C ATOM 875 O PRO A 116 -18.883 24.491 -10.548 1.00 24.50 O ATOM 876 CB PRO A 116 -19.870 23.246 -7.793 1.00 24.57 C ATOM 877 CG PRO A 116 -19.372 24.579 -7.289 1.00 25.30 C ATOM 878 CD PRO A 116 -17.827 24.421 -7.245 1.00 21.42 C ATOM 0 HA PRO A 116 -18.714 21.828 -8.890 1.00 22.88 H new ATOM 0 HB2 PRO A 116 -20.744 23.329 -8.206 1.00 24.57 H new ATOM 0 HB3 PRO A 116 -19.958 22.606 -7.069 1.00 24.57 H new ATOM 0 HG2 PRO A 116 -19.637 25.302 -7.879 1.00 25.30 H new ATOM 0 HG3 PRO A 116 -19.732 24.782 -6.412 1.00 25.30 H new ATOM 0 HD2 PRO A 116 -17.373 25.266 -7.387 1.00 21.42 H new ATOM 0 HD3 PRO A 116 -17.523 24.076 -6.391 1.00 21.42 H new ATOM 879 N THR A 117 -19.804 22.478 -10.994 1.00 26.28 N ATOM 880 CA THR A 117 -20.411 22.922 -12.300 1.00 27.80 C ATOM 881 C THR A 117 -21.892 23.069 -12.201 1.00 33.21 C ATOM 882 O THR A 117 -22.496 23.556 -13.141 1.00 34.78 O ATOM 883 CB THR A 117 -20.117 21.993 -13.447 1.00 26.40 C ATOM 884 OG1 THR A 117 -20.593 20.682 -13.139 1.00 27.74 O ATOM 885 CG2 THR A 117 -18.638 21.992 -13.778 1.00 26.27 C ATOM 0 H THR A 117 -19.905 21.642 -10.819 1.00 26.28 H new ATOM 0 HA THR A 117 -19.995 23.779 -12.480 1.00 27.80 H new ATOM 0 HB THR A 117 -20.583 22.307 -14.238 1.00 26.40 H new ATOM 0 HG1 THR A 117 -20.429 20.166 -13.781 1.00 27.74 H new ATOM 0 HG21 THR A 117 -18.472 21.388 -14.518 1.00 26.27 H new ATOM 0 HG22 THR A 117 -18.361 22.888 -14.024 1.00 26.27 H new ATOM 0 HG23 THR A 117 -18.133 21.699 -13.003 1.00 26.27 H new ATOM 886 N THR A 118 -22.439 22.661 -11.053 1.00 32.17 N ATOM 887 CA THR A 118 -23.888 22.793 -10.688 1.00 35.50 C ATOM 888 C THR A 118 -24.016 23.938 -9.658 1.00 38.57 C ATOM 889 O THR A 118 -23.000 24.500 -9.177 1.00 37.48 O ATOM 890 CB THR A 118 -24.457 21.448 -10.193 1.00 33.05 C ATOM 891 OG1 THR A 118 -23.641 20.908 -9.119 1.00 36.31 O ATOM 892 CG2 THR A 118 -24.568 20.428 -11.389 1.00 35.32 C ATOM 0 H THR A 118 -21.975 22.285 -10.434 1.00 32.17 H new ATOM 0 HA THR A 118 -24.424 23.022 -11.464 1.00 35.50 H new ATOM 0 HB THR A 118 -25.348 21.600 -9.840 1.00 33.05 H new ATOM 0 HG1 THR A 118 -24.133 20.696 -8.472 1.00 36.31 H new ATOM 0 HG21 THR A 118 -24.927 19.587 -11.065 1.00 35.32 H new ATOM 0 HG22 THR A 118 -25.157 20.790 -12.069 1.00 35.32 H new ATOM 0 HG23 THR A 118 -23.688 20.279 -11.770 1.00 35.32 H new ATOM 893 N ARG A 119 -25.257 24.320 -9.335 1.00 46.48 N ATOM 894 CA ARG A 119 -25.495 25.471 -8.427 1.00 53.73 C ATOM 895 C ARG A 119 -25.267 25.111 -6.939 1.00 54.21 C ATOM 896 O ARG A 119 -25.259 23.912 -6.577 1.00 56.85 O ATOM 897 CB ARG A 119 -26.900 26.110 -8.643 1.00 66.76 C ATOM 898 CG ARG A 119 -27.979 25.176 -9.232 1.00 87.33 C ATOM 899 CD ARG A 119 -29.431 25.722 -9.250 1.00104.61 C ATOM 900 NE ARG A 119 -29.627 27.181 -9.454 1.00110.57 N ATOM 901 CZ ARG A 119 -29.321 27.889 -10.553 1.00113.36 C ATOM 902 NH1 ARG A 119 -28.740 27.335 -11.617 1.00110.67 N ATOM 903 NH2 ARG A 119 -29.574 29.190 -10.577 1.00106.98 N ATOM 0 H ARG A 119 -25.971 23.937 -9.623 1.00 46.48 H new ATOM 0 HA ARG A 119 -24.832 26.138 -8.663 1.00 53.73 H new ATOM 0 HB2 ARG A 119 -27.218 26.447 -7.791 1.00 66.76 H new ATOM 0 HB3 ARG A 119 -26.802 26.875 -9.232 1.00 66.76 H new ATOM 0 HG2 ARG A 119 -27.726 24.956 -10.142 1.00 87.33 H new ATOM 0 HG3 ARG A 119 -27.972 24.348 -8.727 1.00 87.33 H new ATOM 0 HD2 ARG A 119 -29.914 25.257 -9.951 1.00104.61 H new ATOM 0 HD3 ARG A 119 -29.849 25.481 -8.409 1.00104.61 H new ATOM 0 HE ARG A 119 -29.973 27.618 -8.799 1.00110.57 H new ATOM 0 HH11 ARG A 119 -28.548 26.497 -11.615 1.00110.67 H new ATOM 0 HH12 ARG A 119 -28.557 27.816 -12.306 1.00110.67 H new ATOM 0 HH21 ARG A 119 -29.930 29.571 -9.894 1.00106.98 H new ATOM 0 HH22 ARG A 119 -29.382 29.653 -11.276 1.00106.98 H new ATOM 904 N GLY A 120 -25.056 26.131 -6.090 1.00 45.77 N ATOM 905 CA GLY A 120 -25.242 25.961 -4.655 1.00 43.32 C ATOM 906 C GLY A 120 -24.017 25.918 -3.749 1.00 44.60 C ATOM 907 O GLY A 120 -24.172 25.712 -2.548 1.00 40.75 O ATOM 0 H GLY A 120 -24.807 26.918 -6.330 1.00 45.77 H new ATOM 0 HA2 GLY A 120 -25.809 26.685 -4.346 1.00 43.32 H new ATOM 0 HA3 GLY A 120 -25.735 25.137 -4.520 1.00 43.32 H new ATOM 908 N CYS A 121 -22.805 26.092 -4.299 1.00 38.11 N ATOM 909 CA CYS A 121 -21.615 26.304 -3.454 1.00 33.84 C ATOM 910 C CYS A 121 -20.530 27.000 -4.316 1.00 38.85 C ATOM 911 O CYS A 121 -20.704 27.201 -5.501 1.00 43.04 O ATOM 912 CB CYS A 121 -21.109 24.991 -2.858 1.00 31.28 C ATOM 913 SG CYS A 121 -20.998 23.725 -4.163 1.00 32.83 S ATOM 0 H CYS A 121 -22.651 26.091 -5.145 1.00 38.11 H new ATOM 0 HA CYS A 121 -21.844 26.870 -2.700 1.00 33.84 H new ATOM 0 HB2 CYS A 121 -20.239 25.125 -2.451 1.00 31.28 H new ATOM 0 HB3 CYS A 121 -21.708 24.692 -2.156 1.00 31.28 H new ATOM 914 N ARG A 122 -19.423 27.356 -3.717 1.00 35.44 N ATOM 915 CA ARG A 122 -18.331 28.006 -4.440 1.00 38.92 C ATOM 916 C ARG A 122 -17.168 27.013 -4.517 1.00 31.05 C ATOM 917 O ARG A 122 -17.191 25.969 -3.865 1.00 31.71 O ATOM 918 CB ARG A 122 -17.873 29.288 -3.732 1.00 46.70 C ATOM 919 CG ARG A 122 -17.646 29.189 -2.218 1.00 54.07 C ATOM 920 CD ARG A 122 -16.290 28.602 -1.927 1.00 69.55 C ATOM 921 NE ARG A 122 -15.407 29.502 -1.190 1.00 85.11 N ATOM 922 CZ ARG A 122 -15.149 29.408 0.113 1.00 91.86 C ATOM 923 NH1 ARG A 122 -15.731 28.476 0.859 1.00 97.54 N ATOM 924 NH2 ARG A 122 -14.308 30.261 0.678 1.00 99.08 N ATOM 0 H ARG A 122 -19.270 27.233 -2.880 1.00 35.44 H new ATOM 0 HA ARG A 122 -18.635 28.258 -5.326 1.00 38.92 H new ATOM 0 HB2 ARG A 122 -17.046 29.584 -4.144 1.00 46.70 H new ATOM 0 HB3 ARG A 122 -18.535 29.978 -3.895 1.00 46.70 H new ATOM 0 HG2 ARG A 122 -17.717 30.069 -1.816 1.00 54.07 H new ATOM 0 HG3 ARG A 122 -18.336 28.638 -1.817 1.00 54.07 H new ATOM 0 HD2 ARG A 122 -16.403 27.784 -1.418 1.00 69.55 H new ATOM 0 HD3 ARG A 122 -15.865 28.359 -2.764 1.00 69.55 H new ATOM 0 HE ARG A 122 -15.027 30.137 -1.628 1.00 85.11 H new ATOM 0 HH11 ARG A 122 -16.283 27.922 0.502 1.00 97.54 H new ATOM 0 HH12 ARG A 122 -15.555 28.426 1.699 1.00 97.54 H new ATOM 0 HH21 ARG A 122 -13.932 30.872 0.204 1.00 99.08 H new ATOM 0 HH22 ARG A 122 -14.138 30.204 1.519 1.00 99.08 H new ATOM 925 N GLY A 123 -16.206 27.313 -5.378 1.00 27.13 N ATOM 926 CA GLY A 123 -15.070 26.389 -5.482 1.00 23.38 C ATOM 927 C GLY A 123 -13.903 26.907 -4.664 1.00 25.56 C ATOM 928 O GLY A 123 -13.945 27.968 -4.018 1.00 27.05 O ATOM 0 H GLY A 123 -16.182 28.005 -5.888 1.00 27.13 H new ATOM 0 HA2 GLY A 123 -15.330 25.509 -5.168 1.00 23.38 H new ATOM 0 HA3 GLY A 123 -14.806 26.292 -6.410 1.00 23.38 H new ATOM 929 N VAL A 124 -12.789 26.191 -4.805 1.00 23.16 N ATOM 930 CA VAL A 124 -11.550 26.594 -4.089 1.00 23.17 C ATOM 931 C VAL A 124 -10.400 26.461 -5.045 1.00 22.48 C ATOM 932 O VAL A 124 -10.488 25.728 -6.007 1.00 19.41 O ATOM 933 CB VAL A 124 -11.296 25.691 -2.868 1.00 22.65 C ATOM 934 CG1 VAL A 124 -12.187 26.145 -1.661 1.00 26.52 C ATOM 935 CG2 VAL A 124 -11.531 24.235 -3.180 1.00 25.69 C ATOM 0 H VAL A 124 -12.717 25.487 -5.293 1.00 23.16 H new ATOM 0 HA VAL A 124 -11.644 27.507 -3.775 1.00 23.17 H new ATOM 0 HB VAL A 124 -10.361 25.785 -2.626 1.00 22.65 H new ATOM 0 HG11 VAL A 124 -12.018 25.569 -0.899 1.00 26.52 H new ATOM 0 HG12 VAL A 124 -11.972 27.062 -1.427 1.00 26.52 H new ATOM 0 HG13 VAL A 124 -13.123 26.086 -1.909 1.00 26.52 H new ATOM 0 HG21 VAL A 124 -11.361 23.702 -2.387 1.00 25.69 H new ATOM 0 HG22 VAL A 124 -12.450 24.109 -3.463 1.00 25.69 H new ATOM 0 HG23 VAL A 124 -10.933 23.956 -3.891 1.00 25.69 H new ATOM 936 N ARG A 125 -9.293 27.157 -4.746 1.00 20.52 N ATOM 937 CA ARG A 125 -8.212 27.202 -5.715 1.00 21.83 C ATOM 938 C ARG A 125 -6.891 27.344 -4.943 1.00 21.16 C ATOM 939 O ARG A 125 -6.840 28.046 -3.885 1.00 22.44 O ATOM 940 CB ARG A 125 -8.437 28.464 -6.592 1.00 23.18 C ATOM 941 CG ARG A 125 -7.277 28.809 -7.512 1.00 34.56 C ATOM 942 CD ARG A 125 -7.647 30.042 -8.385 1.00 38.94 C ATOM 943 NE ARG A 125 -8.806 29.714 -9.262 1.00 43.15 N ATOM 944 CZ ARG A 125 -9.050 30.278 -10.459 1.00 47.28 C ATOM 945 NH1 ARG A 125 -8.222 31.187 -10.948 1.00 50.19 N ATOM 946 NH2 ARG A 125 -10.105 29.918 -11.201 1.00 39.37 N ATOM 0 H ARG A 125 -9.159 27.591 -4.016 1.00 20.52 H new ATOM 0 HA ARG A 125 -8.185 26.405 -6.267 1.00 21.83 H new ATOM 0 HB2 ARG A 125 -9.233 28.332 -7.130 1.00 23.18 H new ATOM 0 HB3 ARG A 125 -8.610 29.221 -6.011 1.00 23.18 H new ATOM 0 HG2 ARG A 125 -6.483 28.999 -6.988 1.00 34.56 H new ATOM 0 HG3 ARG A 125 -7.067 28.051 -8.080 1.00 34.56 H new ATOM 0 HD2 ARG A 125 -7.865 30.797 -7.816 1.00 38.94 H new ATOM 0 HD3 ARG A 125 -6.886 30.305 -8.926 1.00 38.94 H new ATOM 0 HE ARG A 125 -9.361 29.119 -8.982 1.00 43.15 H new ATOM 0 HH11 ARG A 125 -7.525 31.419 -10.500 1.00 50.19 H new ATOM 0 HH12 ARG A 125 -8.381 31.546 -11.713 1.00 50.19 H new ATOM 0 HH21 ARG A 125 -10.645 29.313 -10.915 1.00 39.37 H new ATOM 0 HH22 ARG A 125 -10.242 30.292 -11.963 1.00 39.37 H new ATOM 947 N CYS A 126 -5.869 26.635 -5.408 1.00 17.98 N ATOM 948 CA CYS A 126 -4.499 26.934 -4.926 1.00 17.07 C ATOM 949 C CYS A 126 -3.698 27.098 -6.230 1.00 18.98 C ATOM 950 O CYS A 126 -3.322 26.083 -6.844 1.00 17.22 O ATOM 951 CB CYS A 126 -3.984 25.800 -4.060 1.00 17.89 C ATOM 952 SG CYS A 126 -2.243 26.092 -3.627 1.00 20.30 S ATOM 0 H CYS A 126 -5.929 25.997 -5.982 1.00 17.98 H new ATOM 0 HA CYS A 126 -4.439 27.722 -4.364 1.00 17.07 H new ATOM 0 HB2 CYS A 126 -4.519 25.730 -3.254 1.00 17.89 H new ATOM 0 HB3 CYS A 126 -4.071 24.957 -4.532 1.00 17.89 H new ATOM 953 N ALA A 127 -3.430 28.364 -6.576 1.00 20.74 N ATOM 954 CA ALA A 127 -2.789 28.680 -7.885 1.00 23.36 C ATOM 955 C ALA A 127 -1.478 29.455 -7.780 1.00 27.63 C ATOM 956 O ALA A 127 -0.974 29.922 -8.776 1.00 30.14 O ATOM 957 CB ALA A 127 -3.746 29.446 -8.780 1.00 22.26 C ATOM 0 H ALA A 127 -3.604 29.048 -6.085 1.00 20.74 H new ATOM 0 HA ALA A 127 -2.572 27.817 -8.270 1.00 23.36 H new ATOM 0 HB1 ALA A 127 -3.312 29.642 -9.625 1.00 22.26 H new ATOM 0 HB2 ALA A 127 -4.538 28.910 -8.941 1.00 22.26 H new ATOM 0 HB3 ALA A 127 -4.000 30.276 -8.347 1.00 22.26 H new ATOM 958 N ALA A 128 -0.940 29.569 -6.601 1.00 23.54 N ATOM 959 CA ALA A 128 0.251 30.370 -6.336 1.00 20.94 C ATOM 960 C ALA A 128 1.451 29.585 -6.784 1.00 22.20 C ATOM 961 O ALA A 128 1.386 28.354 -6.939 1.00 24.33 O ATOM 962 CB ALA A 128 0.316 30.648 -4.844 1.00 22.80 C ATOM 0 H ALA A 128 -1.254 29.178 -5.902 1.00 23.54 H new ATOM 0 HA ALA A 128 0.227 31.214 -6.813 1.00 20.94 H new ATOM 0 HB1 ALA A 128 1.103 31.180 -4.648 1.00 22.80 H new ATOM 0 HB2 ALA A 128 -0.478 31.133 -4.570 1.00 22.80 H new ATOM 0 HB3 ALA A 128 0.365 29.809 -4.360 1.00 22.80 H new ATOM 963 N ASP A 129 2.603 30.239 -6.996 1.00 20.90 N ATOM 964 CA ASP A 129 3.799 29.534 -7.426 1.00 25.99 C ATOM 965 C ASP A 129 4.580 28.903 -6.204 1.00 25.57 C ATOM 966 O ASP A 129 5.646 29.362 -5.799 1.00 23.03 O ATOM 967 CB ASP A 129 4.763 30.514 -8.150 1.00 28.73 C ATOM 968 CG ASP A 129 5.966 29.816 -8.715 1.00 29.72 C ATOM 969 OD1 ASP A 129 5.977 28.555 -8.894 1.00 28.86 O ATOM 970 OD2 ASP A 129 6.956 30.542 -9.003 1.00 41.54 O ATOM 0 H ASP A 129 2.703 31.087 -6.894 1.00 20.90 H new ATOM 0 HA ASP A 129 3.511 28.825 -8.022 1.00 25.99 H new ATOM 0 HB2 ASP A 129 4.287 30.963 -8.866 1.00 28.73 H new ATOM 0 HB3 ASP A 129 5.052 31.199 -7.527 1.00 28.73 H new ATOM 971 N ILE A 130 3.995 27.870 -5.638 1.00 20.13 N ATOM 972 CA ILE A 130 4.536 27.216 -4.485 1.00 18.05 C ATOM 973 C ILE A 130 5.849 26.569 -4.864 1.00 19.37 C ATOM 974 O ILE A 130 6.782 26.547 -4.036 1.00 20.91 O ATOM 975 CB ILE A 130 3.451 26.290 -3.874 1.00 16.92 C ATOM 976 CG1 ILE A 130 2.385 27.169 -3.142 1.00 18.80 C ATOM 977 CG2 ILE A 130 4.132 25.166 -2.948 1.00 18.20 C ATOM 978 CD1 ILE A 130 1.262 26.385 -2.542 1.00 20.28 C ATOM 0 H ILE A 130 3.259 27.527 -5.922 1.00 20.13 H new ATOM 0 HA ILE A 130 4.762 27.830 -3.769 1.00 18.05 H new ATOM 0 HB ILE A 130 2.981 25.800 -4.567 1.00 16.92 H new ATOM 0 HG12 ILE A 130 2.823 27.677 -2.442 1.00 18.80 H new ATOM 0 HG13 ILE A 130 2.020 27.810 -3.772 1.00 18.80 H new ATOM 0 HG21 ILE A 130 3.444 24.595 -2.573 1.00 18.20 H new ATOM 0 HG22 ILE A 130 4.740 24.631 -3.482 1.00 18.20 H new ATOM 0 HG23 ILE A 130 4.624 25.593 -2.229 1.00 18.20 H new ATOM 0 HD11 ILE A 130 0.641 26.990 -2.106 1.00 20.28 H new ATOM 0 HD12 ILE A 130 0.800 25.895 -3.240 1.00 20.28 H new ATOM 0 HD13 ILE A 130 1.616 25.760 -1.890 1.00 20.28 H new ATOM 979 N VAL A 131 6.018 26.043 -6.098 1.00 16.80 N ATOM 980 CA VAL A 131 7.255 25.321 -6.336 1.00 18.04 C ATOM 981 C VAL A 131 8.384 26.368 -6.412 1.00 19.91 C ATOM 982 O VAL A 131 9.530 26.102 -5.904 1.00 22.81 O ATOM 983 CB VAL A 131 7.198 24.492 -7.674 1.00 22.53 C ATOM 984 CG1 VAL A 131 8.546 23.754 -7.945 1.00 25.63 C ATOM 985 CG2 VAL A 131 6.068 23.449 -7.648 1.00 24.84 C ATOM 0 H VAL A 131 5.466 26.093 -6.756 1.00 16.80 H new ATOM 0 HA VAL A 131 7.407 24.686 -5.618 1.00 18.04 H new ATOM 0 HB VAL A 131 7.029 25.132 -8.383 1.00 22.53 H new ATOM 0 HG11 VAL A 131 8.480 23.254 -8.773 1.00 25.63 H new ATOM 0 HG12 VAL A 131 9.262 24.404 -8.016 1.00 25.63 H new ATOM 0 HG13 VAL A 131 8.734 23.145 -7.214 1.00 25.63 H new ATOM 0 HG21 VAL A 131 6.061 22.958 -8.484 1.00 24.84 H new ATOM 0 HG22 VAL A 131 6.213 22.833 -6.913 1.00 24.84 H new ATOM 0 HG23 VAL A 131 5.216 23.898 -7.530 1.00 24.84 H new ATOM 986 N GLY A 132 8.081 27.480 -7.076 1.00 21.07 N ATOM 987 CA GLY A 132 9.141 28.517 -7.261 1.00 21.62 C ATOM 988 C GLY A 132 9.588 29.067 -5.875 1.00 22.84 C ATOM 989 O GLY A 132 10.802 29.375 -5.659 1.00 22.56 O ATOM 0 H GLY A 132 7.314 27.664 -7.418 1.00 21.07 H new ATOM 0 HA2 GLY A 132 9.901 28.135 -7.727 1.00 21.62 H new ATOM 0 HA3 GLY A 132 8.805 29.241 -7.812 1.00 21.62 H new ATOM 990 N GLN A 133 8.630 29.233 -4.958 1.00 20.08 N ATOM 991 CA GLN A 133 8.921 29.866 -3.635 1.00 20.48 C ATOM 992 C GLN A 133 9.316 28.811 -2.552 1.00 21.94 C ATOM 993 O GLN A 133 9.611 29.167 -1.443 1.00 21.42 O ATOM 994 CB GLN A 133 7.643 30.663 -3.181 1.00 21.89 C ATOM 995 CG GLN A 133 7.274 31.868 -4.071 1.00 23.24 C ATOM 996 CD GLN A 133 8.404 32.929 -4.150 1.00 30.97 C ATOM 997 OE1 GLN A 133 9.486 32.770 -3.581 1.00 33.76 O ATOM 998 NE2 GLN A 133 8.194 33.956 -4.934 1.00 41.35 N ATOM 0 H GLN A 133 7.811 28.994 -5.067 1.00 20.08 H new ATOM 0 HA GLN A 133 9.680 30.462 -3.732 1.00 20.48 H new ATOM 0 HB2 GLN A 133 6.889 30.053 -3.158 1.00 21.89 H new ATOM 0 HB3 GLN A 133 7.781 30.978 -2.274 1.00 21.89 H new ATOM 0 HG2 GLN A 133 7.069 31.553 -4.965 1.00 23.24 H new ATOM 0 HG3 GLN A 133 6.469 32.285 -3.726 1.00 23.24 H new ATOM 0 HE21 GLN A 133 7.433 34.051 -5.323 1.00 41.35 H new ATOM 0 HE22 GLN A 133 8.817 34.535 -5.060 1.00 41.35 H new ATOM 999 N CYS A 134 9.337 27.531 -2.918 1.00 19.47 N ATOM 1000 CA CYS A 134 9.438 26.405 -1.922 1.00 18.08 C ATOM 1001 C CYS A 134 10.715 26.602 -1.052 1.00 21.44 C ATOM 1002 O CYS A 134 11.813 26.730 -1.604 1.00 22.09 O ATOM 1003 CB CYS A 134 9.535 25.066 -2.710 1.00 19.75 C ATOM 1004 SG CYS A 134 9.409 23.624 -1.646 1.00 18.42 S ATOM 0 H CYS A 134 9.295 27.271 -3.737 1.00 19.47 H new ATOM 0 HA CYS A 134 8.661 26.392 -1.342 1.00 18.08 H new ATOM 0 HB2 CYS A 134 8.830 25.035 -3.375 1.00 19.75 H new ATOM 0 HB3 CYS A 134 10.378 25.037 -3.189 1.00 19.75 H new ATOM 1005 N PRO A 135 10.581 26.504 0.270 1.00 21.26 N ATOM 1006 CA PRO A 135 11.817 26.412 1.101 1.00 23.67 C ATOM 1007 C PRO A 135 12.750 25.348 0.639 1.00 24.43 C ATOM 1008 O PRO A 135 12.339 24.233 0.284 1.00 24.48 O ATOM 1009 CB PRO A 135 11.265 25.987 2.479 1.00 26.35 C ATOM 1010 CG PRO A 135 9.879 26.549 2.506 1.00 22.86 C ATOM 1011 CD PRO A 135 9.366 26.310 1.060 1.00 19.42 C ATOM 0 HA PRO A 135 12.317 27.243 1.078 1.00 23.67 H new ATOM 0 HB2 PRO A 135 11.258 25.022 2.576 1.00 26.35 H new ATOM 0 HB3 PRO A 135 11.806 26.341 3.202 1.00 26.35 H new ATOM 0 HG2 PRO A 135 9.323 26.099 3.162 1.00 22.86 H new ATOM 0 HG3 PRO A 135 9.880 27.492 2.734 1.00 22.86 H new ATOM 0 HD2 PRO A 135 8.998 25.419 0.948 1.00 19.42 H new ATOM 0 HD3 PRO A 135 8.669 26.938 0.814 1.00 19.42 H new ATOM 1012 N ALA A 136 14.057 25.654 0.703 1.00 23.88 N ATOM 1013 CA ALA A 136 15.087 24.800 0.192 1.00 25.51 C ATOM 1014 C ALA A 136 14.954 23.378 0.751 1.00 23.50 C ATOM 1015 O ALA A 136 15.174 22.401 0.029 1.00 25.31 O ATOM 1016 CB ALA A 136 16.427 25.393 0.663 1.00 30.24 C ATOM 0 H ALA A 136 14.353 26.381 1.055 1.00 23.88 H new ATOM 0 HA ALA A 136 15.026 24.749 -0.775 1.00 25.51 H new ATOM 0 HB1 ALA A 136 17.157 24.843 0.338 1.00 30.24 H new ATOM 0 HB2 ALA A 136 16.522 26.294 0.316 1.00 30.24 H new ATOM 0 HB3 ALA A 136 16.448 25.416 1.632 1.00 30.24 H new ATOM 1017 N LYS A 137 14.609 23.216 2.041 1.00 21.92 N ATOM 1018 CA LYS A 137 14.594 21.836 2.620 1.00 20.91 C ATOM 1019 C LYS A 137 13.403 21.015 2.144 1.00 21.31 C ATOM 1020 O LYS A 137 13.378 19.767 2.297 1.00 23.63 O ATOM 1021 CB LYS A 137 14.542 21.864 4.165 1.00 26.19 C ATOM 1022 CG LYS A 137 15.857 22.416 4.718 1.00 31.21 C ATOM 1023 CD LYS A 137 16.025 22.210 6.189 1.00 37.93 C ATOM 1024 CE LYS A 137 17.445 22.687 6.462 1.00 42.33 C ATOM 1025 NZ LYS A 137 17.551 23.105 7.889 1.00 56.39 N ATOM 0 H LYS A 137 14.390 23.849 2.580 1.00 21.92 H new ATOM 0 HA LYS A 137 15.418 21.426 2.313 1.00 20.91 H new ATOM 0 HB2 LYS A 137 13.800 22.414 4.462 1.00 26.19 H new ATOM 0 HB3 LYS A 137 14.387 20.970 4.508 1.00 26.19 H new ATOM 0 HG2 LYS A 137 16.596 21.993 4.254 1.00 31.21 H new ATOM 0 HG3 LYS A 137 15.907 23.365 4.525 1.00 31.21 H new ATOM 0 HD2 LYS A 137 15.374 22.720 6.697 1.00 37.93 H new ATOM 0 HD3 LYS A 137 15.909 21.279 6.434 1.00 37.93 H new ATOM 0 HE2 LYS A 137 18.079 21.978 6.273 1.00 42.33 H new ATOM 0 HE3 LYS A 137 17.667 23.429 5.878 1.00 42.33 H new ATOM 0 HZ1 LYS A 137 18.379 23.385 8.056 1.00 56.39 H new ATOM 0 HZ2 LYS A 137 16.977 23.766 8.048 1.00 56.39 H new ATOM 0 HZ3 LYS A 137 17.360 22.414 8.416 1.00 56.39 H new ATOM 1026 N LEU A 138 12.409 21.724 1.582 1.00 18.79 N ATOM 1027 CA LEU A 138 11.186 20.968 1.142 1.00 18.76 C ATOM 1028 C LEU A 138 11.215 20.712 -0.403 1.00 17.95 C ATOM 1029 O LEU A 138 10.319 19.998 -0.899 1.00 20.16 O ATOM 1030 CB LEU A 138 9.914 21.790 1.469 1.00 16.08 C ATOM 1031 CG LEU A 138 9.704 21.979 2.997 1.00 18.15 C ATOM 1032 CD1 LEU A 138 8.374 22.744 3.081 1.00 19.73 C ATOM 1033 CD2 LEU A 138 9.674 20.650 3.778 1.00 19.10 C ATOM 0 H LEU A 138 12.404 22.574 1.448 1.00 18.79 H new ATOM 0 HA LEU A 138 11.175 20.120 1.613 1.00 18.76 H new ATOM 0 HB2 LEU A 138 9.977 22.660 1.044 1.00 16.08 H new ATOM 0 HB3 LEU A 138 9.139 21.345 1.092 1.00 16.08 H new ATOM 0 HG LEU A 138 10.440 22.456 3.411 1.00 18.15 H new ATOM 0 HD11 LEU A 138 8.155 22.911 4.011 1.00 19.73 H new ATOM 0 HD12 LEU A 138 8.456 23.589 2.612 1.00 19.73 H new ATOM 0 HD13 LEU A 138 7.670 22.215 2.673 1.00 19.73 H new ATOM 0 HD21 LEU A 138 9.541 20.832 4.721 1.00 19.10 H new ATOM 0 HD22 LEU A 138 8.947 20.098 3.450 1.00 19.10 H new ATOM 0 HD23 LEU A 138 10.515 20.183 3.655 1.00 19.10 H new ATOM 1034 N LYS A 139 12.148 21.314 -1.150 1.00 16.04 N ATOM 1035 CA LYS A 139 12.169 21.095 -2.613 1.00 20.73 C ATOM 1036 C LYS A 139 12.382 19.694 -2.964 1.00 21.02 C ATOM 1037 O LYS A 139 13.271 19.025 -2.432 1.00 22.66 O ATOM 1038 CB LYS A 139 13.335 21.848 -3.249 1.00 24.43 C ATOM 1039 CG LYS A 139 13.029 23.305 -3.295 1.00 31.23 C ATOM 1040 CD LYS A 139 13.947 23.960 -4.315 1.00 47.03 C ATOM 1041 CE LYS A 139 13.965 25.441 -4.092 1.00 52.67 C ATOM 1042 NZ LYS A 139 15.141 26.010 -4.811 1.00 65.94 N ATOM 0 H LYS A 139 12.760 21.837 -0.847 1.00 16.04 H new ATOM 0 HA LYS A 139 11.306 21.402 -2.933 1.00 20.73 H new ATOM 0 HB2 LYS A 139 14.146 21.695 -2.739 1.00 24.43 H new ATOM 0 HB3 LYS A 139 13.496 21.514 -4.145 1.00 24.43 H new ATOM 0 HG2 LYS A 139 12.101 23.447 -3.537 1.00 31.23 H new ATOM 0 HG3 LYS A 139 13.158 23.704 -2.420 1.00 31.23 H new ATOM 0 HD2 LYS A 139 14.844 23.600 -4.235 1.00 47.03 H new ATOM 0 HD3 LYS A 139 13.641 23.762 -5.214 1.00 47.03 H new ATOM 0 HE2 LYS A 139 13.144 25.842 -4.418 1.00 52.67 H new ATOM 0 HE3 LYS A 139 14.021 25.639 -3.144 1.00 52.67 H new ATOM 0 HZ1 LYS A 139 15.166 26.891 -4.688 1.00 65.94 H new ATOM 0 HZ2 LYS A 139 15.888 25.645 -4.494 1.00 65.94 H new ATOM 0 HZ3 LYS A 139 15.071 25.834 -5.681 1.00 65.94 H new ATOM 1043 N ALA A 140 11.579 19.201 -3.880 1.00 20.46 N ATOM 1044 CA ALA A 140 11.771 17.834 -4.340 1.00 23.72 C ATOM 1045 C ALA A 140 12.534 17.879 -5.666 1.00 28.32 C ATOM 1046 O ALA A 140 12.136 18.637 -6.539 1.00 27.12 O ATOM 1047 CB ALA A 140 10.429 17.200 -4.578 1.00 23.59 C ATOM 0 H ALA A 140 10.927 19.626 -4.246 1.00 20.46 H new ATOM 0 HA ALA A 140 12.263 17.323 -3.678 1.00 23.72 H new ATOM 0 HB1 ALA A 140 10.552 16.288 -4.885 1.00 23.59 H new ATOM 0 HB2 ALA A 140 9.921 17.197 -3.752 1.00 23.59 H new ATOM 0 HB3 ALA A 140 9.947 17.705 -5.251 1.00 23.59 H new ATOM 1048 N PRO A 141 13.609 17.059 -5.798 1.00 34.38 N ATOM 1049 CA PRO A 141 14.443 16.972 -6.999 1.00 39.97 C ATOM 1050 C PRO A 141 13.591 16.675 -8.240 1.00 40.19 C ATOM 1051 O PRO A 141 13.726 17.372 -9.255 1.00 47.78 O ATOM 1052 CB PRO A 141 15.380 15.814 -6.639 1.00 35.27 C ATOM 1053 CG PRO A 141 15.605 16.045 -5.195 1.00 37.29 C ATOM 1054 CD PRO A 141 14.154 16.155 -4.770 1.00 33.65 C ATOM 0 HA PRO A 141 14.914 17.789 -7.225 1.00 39.97 H new ATOM 0 HB2 PRO A 141 14.973 14.950 -6.810 1.00 35.27 H new ATOM 0 HB3 PRO A 141 16.207 15.844 -7.145 1.00 35.27 H new ATOM 0 HG2 PRO A 141 16.071 15.313 -4.763 1.00 37.29 H new ATOM 0 HG3 PRO A 141 16.114 16.851 -5.015 1.00 37.29 H new ATOM 0 HD2 PRO A 141 13.708 15.293 -4.769 1.00 33.65 H new ATOM 0 HD3 PRO A 141 14.063 16.522 -3.877 1.00 33.65 H new ATOM 1055 N GLY A 142 12.636 15.762 -8.107 1.00 41.75 N ATOM 1056 CA GLY A 142 11.661 15.462 -9.159 1.00 44.34 C ATOM 1057 C GLY A 142 10.820 16.614 -9.672 1.00 45.88 C ATOM 1058 O GLY A 142 10.300 16.554 -10.786 1.00 40.57 O ATOM 0 H GLY A 142 12.532 15.291 -7.395 1.00 41.75 H new ATOM 0 HA2 GLY A 142 12.139 15.080 -9.912 1.00 44.34 H new ATOM 0 HA3 GLY A 142 11.061 14.776 -8.826 1.00 44.34 H new ATOM 1059 N GLY A 143 10.715 17.684 -8.880 1.00 38.45 N ATOM 1060 CA GLY A 143 9.860 18.841 -9.155 1.00 33.66 C ATOM 1061 C GLY A 143 8.889 18.807 -7.944 1.00 29.46 C ATOM 1062 O GLY A 143 8.659 17.749 -7.242 1.00 30.91 O ATOM 0 H GLY A 143 11.154 17.758 -8.144 1.00 38.45 H new ATOM 0 HA2 GLY A 143 10.366 19.668 -9.193 1.00 33.66 H new ATOM 0 HA3 GLY A 143 9.392 18.756 -10.000 1.00 33.66 H new ATOM 1063 N GLY A 144 8.357 19.955 -7.624 1.00 24.70 N ATOM 1064 CA GLY A 144 7.374 19.939 -6.533 1.00 19.06 C ATOM 1065 C GLY A 144 7.927 20.409 -5.232 1.00 17.40 C ATOM 1066 O GLY A 144 9.148 20.605 -5.107 1.00 19.34 O ATOM 0 H GLY A 144 8.524 20.717 -7.986 1.00 24.70 H new ATOM 0 HA2 GLY A 144 6.620 20.498 -6.777 1.00 19.06 H new ATOM 0 HA3 GLY A 144 7.035 19.037 -6.426 1.00 19.06 H new ATOM 1067 N CYS A 145 7.015 20.622 -4.307 1.00 15.71 N ATOM 1068 CA CYS A 145 7.441 21.127 -2.977 1.00 15.47 C ATOM 1069 C CYS A 145 6.813 20.133 -1.976 1.00 15.46 C ATOM 1070 O CYS A 145 5.568 20.060 -1.861 1.00 15.04 O ATOM 1071 CB CYS A 145 6.865 22.526 -2.839 1.00 16.03 C ATOM 1072 SG CYS A 145 7.419 23.325 -1.296 1.00 16.73 S ATOM 0 H CYS A 145 6.170 20.492 -4.403 1.00 15.71 H new ATOM 0 HA CYS A 145 8.399 21.183 -2.837 1.00 15.47 H new ATOM 0 HB2 CYS A 145 7.135 23.065 -3.599 1.00 16.03 H new ATOM 0 HB3 CYS A 145 5.896 22.481 -2.852 1.00 16.03 H new ATOM 1073 N ASN A 146 7.645 19.390 -1.238 1.00 14.52 N ATOM 1074 CA ASN A 146 7.099 18.390 -0.335 1.00 14.97 C ATOM 1075 C ASN A 146 6.551 19.062 0.925 1.00 13.15 C ATOM 1076 O ASN A 146 6.981 20.141 1.325 1.00 15.30 O ATOM 1077 CB ASN A 146 8.245 17.494 0.181 1.00 16.45 C ATOM 1078 CG ASN A 146 8.708 16.456 -0.829 1.00 22.52 C ATOM 1079 OD1 ASN A 146 7.896 15.734 -1.399 1.00 26.30 O ATOM 1080 ND2 ASN A 146 10.028 16.401 -1.060 1.00 29.02 N ATOM 0 H ASN A 146 8.503 19.450 -1.248 1.00 14.52 H new ATOM 0 HA ASN A 146 6.416 17.899 -0.818 1.00 14.97 H new ATOM 0 HB2 ASN A 146 8.998 18.054 0.426 1.00 16.45 H new ATOM 0 HB3 ASN A 146 7.953 17.042 0.988 1.00 16.45 H new ATOM 0 HD21 ASN A 146 10.342 15.840 -1.631 1.00 29.02 H new ATOM 0 HD22 ASN A 146 10.561 16.927 -0.637 1.00 29.02 H new ATOM 1081 N ASP A 147 5.611 18.373 1.544 1.00 13.65 N ATOM 1082 CA ASP A 147 5.211 18.767 2.925 1.00 14.06 C ATOM 1083 C ASP A 147 6.296 18.300 3.920 1.00 12.91 C ATOM 1084 O ASP A 147 7.152 17.380 3.648 1.00 13.17 O ATOM 1085 CB ASP A 147 3.911 18.072 3.209 1.00 15.15 C ATOM 1086 CG ASP A 147 4.087 16.581 3.300 1.00 17.09 C ATOM 1087 OD1 ASP A 147 4.167 15.922 2.254 1.00 15.90 O ATOM 1088 OD2 ASP A 147 4.123 16.026 4.455 1.00 16.20 O ATOM 0 H ASP A 147 5.194 17.696 1.215 1.00 13.65 H new ATOM 0 HA ASP A 147 5.113 19.728 3.012 1.00 14.06 H new ATOM 0 HB2 ASP A 147 3.540 18.406 4.041 1.00 15.15 H new ATOM 0 HB3 ASP A 147 3.272 18.281 2.509 1.00 15.15 H new ATOM 1089 N ALA A 148 6.236 18.921 5.104 1.00 12.97 N ATOM 1090 CA ALA A 148 7.291 18.642 6.114 1.00 13.32 C ATOM 1091 C ALA A 148 7.136 17.275 6.709 1.00 14.03 C ATOM 1092 O ALA A 148 8.139 16.715 7.182 1.00 13.95 O ATOM 1093 CB ALA A 148 7.125 19.702 7.225 1.00 13.11 C ATOM 0 H ALA A 148 5.629 19.481 5.343 1.00 12.97 H new ATOM 0 HA ALA A 148 8.167 18.678 5.698 1.00 13.32 H new ATOM 0 HB1 ALA A 148 7.796 19.560 7.911 1.00 13.11 H new ATOM 0 HB2 ALA A 148 7.234 20.588 6.846 1.00 13.11 H new ATOM 0 HB3 ALA A 148 6.241 19.625 7.617 1.00 13.11 H new ATOM 1094 N CYS A 149 5.928 16.699 6.791 1.00 13.44 N ATOM 1095 CA CYS A 149 5.789 15.296 7.297 1.00 15.36 C ATOM 1096 C CYS A 149 6.533 14.312 6.388 1.00 16.03 C ATOM 1097 O CYS A 149 7.360 13.559 6.873 1.00 15.63 O ATOM 1098 CB CYS A 149 4.301 14.958 7.472 1.00 15.81 C ATOM 1099 SG CYS A 149 4.063 13.186 7.831 1.00 16.44 S ATOM 0 H CYS A 149 5.190 17.080 6.569 1.00 13.44 H new ATOM 0 HA CYS A 149 6.206 15.217 8.169 1.00 15.36 H new ATOM 0 HB2 CYS A 149 3.929 15.489 8.193 1.00 15.81 H new ATOM 0 HB3 CYS A 149 3.816 15.195 6.666 1.00 15.81 H new ATOM 1100 N THR A 150 6.315 14.381 5.082 1.00 14.19 N ATOM 1101 CA THR A 150 7.105 13.562 4.143 1.00 15.14 C ATOM 1102 C THR A 150 8.598 13.691 4.317 1.00 15.78 C ATOM 1103 O THR A 150 9.312 12.691 4.243 1.00 17.46 O ATOM 1104 CB THR A 150 6.698 14.023 2.708 1.00 17.02 C ATOM 1105 OG1 THR A 150 5.332 13.676 2.591 1.00 16.91 O ATOM 1106 CG2 THR A 150 7.501 13.260 1.615 1.00 19.46 C ATOM 0 H THR A 150 5.724 14.886 4.713 1.00 14.19 H new ATOM 0 HA THR A 150 6.912 12.626 4.310 1.00 15.14 H new ATOM 0 HB THR A 150 6.872 14.969 2.585 1.00 17.02 H new ATOM 0 HG1 THR A 150 4.910 14.312 2.240 1.00 16.91 H new ATOM 0 HG21 THR A 150 7.226 13.568 0.737 1.00 19.46 H new ATOM 0 HG22 THR A 150 8.449 13.427 1.734 1.00 19.46 H new ATOM 0 HG23 THR A 150 7.329 12.308 1.692 1.00 19.46 H new ATOM 1107 N VAL A 151 9.090 14.925 4.471 1.00 14.53 N ATOM 1108 CA VAL A 151 10.542 15.127 4.567 1.00 14.67 C ATOM 1109 C VAL A 151 11.131 14.680 5.897 1.00 15.93 C ATOM 1110 O VAL A 151 12.124 13.951 5.886 1.00 17.54 O ATOM 1111 CB VAL A 151 10.916 16.606 4.309 1.00 14.82 C ATOM 1112 CG1 VAL A 151 12.416 16.867 4.462 1.00 16.17 C ATOM 1113 CG2 VAL A 151 10.492 16.997 2.891 1.00 16.66 C ATOM 0 H VAL A 151 8.616 15.641 4.521 1.00 14.53 H new ATOM 0 HA VAL A 151 10.928 14.564 3.878 1.00 14.67 H new ATOM 0 HB VAL A 151 10.451 17.139 4.973 1.00 14.82 H new ATOM 0 HG11 VAL A 151 12.601 17.804 4.291 1.00 16.17 H new ATOM 0 HG12 VAL A 151 12.693 16.642 5.364 1.00 16.17 H new ATOM 0 HG13 VAL A 151 12.906 16.321 3.828 1.00 16.17 H new ATOM 0 HG21 VAL A 151 10.726 17.924 2.727 1.00 16.66 H new ATOM 0 HG22 VAL A 151 10.948 16.431 2.249 1.00 16.66 H new ATOM 0 HG23 VAL A 151 9.533 16.884 2.797 1.00 16.66 H new ATOM 1114 N PHE A 152 10.504 15.090 6.993 1.00 15.84 N ATOM 1115 CA PHE A 152 11.207 14.979 8.306 1.00 15.33 C ATOM 1116 C PHE A 152 10.669 13.828 9.149 1.00 17.24 C ATOM 1117 O PHE A 152 11.346 13.430 10.092 1.00 18.64 O ATOM 1118 CB PHE A 152 11.122 16.300 9.105 1.00 14.96 C ATOM 1119 CG PHE A 152 11.901 17.373 8.460 1.00 13.31 C ATOM 1120 CD1 PHE A 152 13.303 17.318 8.507 1.00 16.55 C ATOM 1121 CD2 PHE A 152 11.283 18.414 7.722 1.00 15.15 C ATOM 1122 CE1 PHE A 152 14.069 18.343 7.920 1.00 15.14 C ATOM 1123 CE2 PHE A 152 12.043 19.431 7.117 1.00 16.71 C ATOM 1124 CZ PHE A 152 13.448 19.363 7.152 1.00 16.88 C ATOM 0 H PHE A 152 9.711 15.422 7.020 1.00 15.84 H new ATOM 0 HA PHE A 152 12.138 14.795 8.104 1.00 15.33 H new ATOM 0 HB2 PHE A 152 10.195 16.574 9.182 1.00 14.96 H new ATOM 0 HB3 PHE A 152 11.451 16.156 10.006 1.00 14.96 H new ATOM 0 HD1 PHE A 152 13.726 16.604 8.926 1.00 16.55 H new ATOM 0 HD2 PHE A 152 10.357 18.425 7.636 1.00 15.15 H new ATOM 0 HE1 PHE A 152 14.992 18.352 8.037 1.00 15.14 H new ATOM 0 HE2 PHE A 152 11.619 20.144 6.696 1.00 16.71 H new ATOM 0 HZ PHE A 152 13.962 19.977 6.679 1.00 16.88 H new ATOM 1125 N GLN A 153 9.426 13.372 8.937 1.00 15.70 N ATOM 1126 CA GLN A 153 8.827 12.181 9.625 1.00 14.62 C ATOM 1127 C GLN A 153 8.843 12.384 11.179 1.00 15.72 C ATOM 1128 O GLN A 153 9.329 11.504 11.887 1.00 17.11 O ATOM 1129 CB GLN A 153 9.598 10.857 9.222 1.00 16.45 C ATOM 1130 CG GLN A 153 9.426 10.493 7.686 1.00 17.42 C ATOM 1131 CD GLN A 153 8.095 9.830 7.490 1.00 23.56 C ATOM 1132 OE1 GLN A 153 7.945 8.632 7.685 1.00 26.37 O ATOM 1133 NE2 GLN A 153 7.115 10.568 7.087 1.00 24.58 N ATOM 0 H GLN A 153 8.887 13.745 8.381 1.00 15.70 H new ATOM 0 HA GLN A 153 7.905 12.091 9.338 1.00 14.62 H new ATOM 0 HB2 GLN A 153 10.541 10.963 9.422 1.00 16.45 H new ATOM 0 HB3 GLN A 153 9.274 10.120 9.764 1.00 16.45 H new ATOM 0 HG2 GLN A 153 9.485 11.294 7.143 1.00 17.42 H new ATOM 0 HG3 GLN A 153 10.140 9.903 7.399 1.00 17.42 H new ATOM 0 HE21 GLN A 153 7.236 11.409 6.954 1.00 24.58 H new ATOM 0 HE22 GLN A 153 6.341 10.218 6.951 1.00 24.58 H new ATOM 1134 N THR A 154 8.390 13.555 11.656 1.00 14.53 N ATOM 1135 CA THR A 154 8.280 13.792 13.117 1.00 13.07 C ATOM 1136 C THR A 154 6.798 13.744 13.515 1.00 13.92 C ATOM 1137 O THR A 154 5.890 13.971 12.704 1.00 16.41 O ATOM 1138 CB THR A 154 8.887 15.143 13.538 1.00 14.86 C ATOM 1139 OG1 THR A 154 8.092 16.203 13.037 1.00 17.36 O ATOM 1140 CG2 THR A 154 10.327 15.346 13.108 1.00 18.47 C ATOM 0 H THR A 154 8.144 14.216 11.164 1.00 14.53 H new ATOM 0 HA THR A 154 8.782 13.099 13.573 1.00 13.07 H new ATOM 0 HB THR A 154 8.893 15.138 14.508 1.00 14.86 H new ATOM 0 HG1 THR A 154 8.444 16.513 12.340 1.00 17.36 H new ATOM 0 HG21 THR A 154 10.635 16.215 13.409 1.00 18.47 H new ATOM 0 HG22 THR A 154 10.882 14.653 13.499 1.00 18.47 H new ATOM 0 HG23 THR A 154 10.386 15.300 12.141 1.00 18.47 H new ATOM 1141 N SER A 155 6.574 13.502 14.821 1.00 14.91 N ATOM 1142 CA SER A 155 5.191 13.526 15.339 1.00 15.01 C ATOM 1143 C SER A 155 4.574 14.885 15.156 1.00 16.35 C ATOM 1144 O SER A 155 3.395 14.945 14.881 1.00 16.72 O ATOM 1145 CB SER A 155 5.204 13.235 16.831 1.00 18.45 C ATOM 1146 OG SER A 155 5.642 11.864 16.946 1.00 29.41 O ATOM 0 H SER A 155 7.183 13.328 15.403 1.00 14.91 H new ATOM 0 HA SER A 155 4.680 12.861 14.852 1.00 15.01 H new ATOM 0 HB2 SER A 155 5.805 13.835 17.300 1.00 18.45 H new ATOM 0 HB3 SER A 155 4.323 13.355 17.219 1.00 18.45 H new ATOM 0 HG SER A 155 5.670 11.646 17.757 1.00 29.41 H new ATOM 1147 N GLU A 156 5.378 15.973 15.239 1.00 14.49 N ATOM 1148 CA GLU A 156 4.782 17.296 15.108 1.00 13.43 C ATOM 1149 C GLU A 156 4.312 17.599 13.675 1.00 15.21 C ATOM 1150 O GLU A 156 3.206 18.046 13.472 1.00 16.04 O ATOM 1151 CB GLU A 156 5.779 18.405 15.558 1.00 14.38 C ATOM 1152 CG GLU A 156 5.073 19.757 15.721 1.00 14.72 C ATOM 1153 CD GLU A 156 4.020 19.769 16.824 1.00 15.20 C ATOM 1154 OE1 GLU A 156 3.896 18.845 17.654 1.00 17.74 O ATOM 1155 OE2 GLU A 156 3.251 20.785 16.852 1.00 18.56 O ATOM 0 H GLU A 156 6.229 15.956 15.365 1.00 14.49 H new ATOM 0 HA GLU A 156 4.004 17.295 15.687 1.00 13.43 H new ATOM 0 HB2 GLU A 156 6.192 18.150 16.398 1.00 14.38 H new ATOM 0 HB3 GLU A 156 6.492 18.487 14.905 1.00 14.38 H new ATOM 0 HG2 GLU A 156 5.737 20.439 15.911 1.00 14.72 H new ATOM 0 HG3 GLU A 156 4.652 19.997 14.880 1.00 14.72 H new ATOM 1156 N TYR A 157 5.141 17.259 12.718 1.00 14.10 N ATOM 1157 CA TYR A 157 4.712 17.576 11.299 1.00 14.38 C ATOM 1158 C TYR A 157 3.605 16.597 10.822 1.00 15.49 C ATOM 1159 O TYR A 157 2.772 17.013 9.979 1.00 16.20 O ATOM 1160 CB TYR A 157 5.899 17.473 10.335 1.00 13.26 C ATOM 1161 CG TYR A 157 6.970 18.479 10.600 1.00 13.54 C ATOM 1162 CD1 TYR A 157 6.648 19.821 10.818 1.00 15.74 C ATOM 1163 CD2 TYR A 157 8.296 18.081 10.554 1.00 13.32 C ATOM 1164 CE1 TYR A 157 7.656 20.728 11.077 1.00 14.85 C ATOM 1165 CE2 TYR A 157 9.301 19.003 10.766 1.00 15.67 C ATOM 1166 CZ TYR A 157 8.947 20.346 11.025 1.00 15.26 C ATOM 1167 OH TYR A 157 9.929 21.259 11.262 1.00 15.46 O ATOM 0 H TYR A 157 5.904 16.874 12.815 1.00 14.10 H new ATOM 0 HA TYR A 157 4.367 18.483 11.299 1.00 14.38 H new ATOM 0 HB2 TYR A 157 6.279 16.583 10.395 1.00 13.26 H new ATOM 0 HB3 TYR A 157 5.579 17.584 9.426 1.00 13.26 H new ATOM 0 HD1 TYR A 157 5.762 20.101 10.789 1.00 15.74 H new ATOM 0 HD2 TYR A 157 8.509 17.193 10.380 1.00 13.32 H new ATOM 0 HE1 TYR A 157 7.443 21.608 11.289 1.00 14.85 H new ATOM 0 HE2 TYR A 157 10.194 18.745 10.739 1.00 15.67 H new ATOM 0 HH TYR A 157 10.669 20.866 11.320 1.00 15.46 H new ATOM 1168 N CYS A 158 3.686 15.336 11.267 1.00 15.43 N ATOM 1169 CA CYS A 158 2.708 14.295 10.824 1.00 16.83 C ATOM 1170 C CYS A 158 1.478 14.206 11.678 1.00 18.79 C ATOM 1171 O CYS A 158 0.525 13.557 11.269 1.00 20.20 O ATOM 1172 CB CYS A 158 3.410 12.910 10.784 1.00 15.42 C ATOM 1173 SG CYS A 158 4.854 12.928 9.674 1.00 16.42 S ATOM 0 H CYS A 158 4.285 15.055 11.817 1.00 15.43 H new ATOM 0 HA CYS A 158 2.407 14.563 9.941 1.00 16.83 H new ATOM 0 HB2 CYS A 158 3.691 12.662 11.679 1.00 15.42 H new ATOM 0 HB3 CYS A 158 2.780 12.235 10.487 1.00 15.42 H new ATOM 1174 N CYS A 159 1.466 14.963 12.804 1.00 17.82 N ATOM 1175 CA CYS A 159 0.326 15.123 13.742 1.00 18.07 C ATOM 1176 C CYS A 159 -0.073 13.741 14.240 1.00 20.04 C ATOM 1177 O CYS A 159 -1.231 13.427 14.426 1.00 22.72 O ATOM 1178 CB CYS A 159 -0.892 15.679 13.112 1.00 25.27 C ATOM 1179 SG CYS A 159 -0.679 17.370 12.639 1.00 41.16 S ATOM 0 H CYS A 159 2.155 15.416 13.049 1.00 17.82 H new ATOM 0 HA CYS A 159 0.628 15.731 14.435 1.00 18.07 H new ATOM 0 HB2 CYS A 159 -1.121 15.152 12.331 1.00 25.27 H new ATOM 0 HB3 CYS A 159 -1.636 15.608 13.730 1.00 25.27 H new ATOM 1180 N THR A 160 0.921 12.946 14.550 1.00 24.33 N ATOM 1181 CA THR A 160 0.675 11.527 14.820 1.00 24.70 C ATOM 1182 C THR A 160 0.046 11.377 16.211 1.00 29.07 C ATOM 1183 O THR A 160 -0.646 10.398 16.396 1.00 31.52 O ATOM 1184 CB THR A 160 1.990 10.682 14.776 1.00 29.16 C ATOM 1185 OG1 THR A 160 2.796 11.129 15.806 1.00 37.87 O ATOM 1186 CG2 THR A 160 2.794 11.030 13.711 1.00 25.47 C ATOM 0 H THR A 160 1.743 13.192 14.613 1.00 24.33 H new ATOM 0 HA THR A 160 0.079 11.198 14.129 1.00 24.70 H new ATOM 0 HB THR A 160 1.719 9.751 14.775 1.00 29.16 H new ATOM 0 HG1 THR A 160 3.562 10.792 15.729 1.00 37.87 H new ATOM 0 HG21 THR A 160 3.596 10.485 13.719 1.00 25.47 H new ATOM 0 HG22 THR A 160 2.313 10.884 12.881 1.00 25.47 H new ATOM 0 HG23 THR A 160 3.039 11.966 13.782 1.00 25.47 H new ATOM 1187 N THR A 161 0.249 12.299 17.167 1.00 25.58 N ATOM 1188 CA THR A 161 -0.452 12.121 18.444 1.00 32.96 C ATOM 1189 C THR A 161 -1.861 12.738 18.363 1.00 40.26 C ATOM 1190 O THR A 161 -2.562 12.688 19.355 1.00 41.57 O ATOM 1191 CB THR A 161 0.282 12.754 19.612 1.00 30.03 C ATOM 1192 OG1 THR A 161 0.113 14.160 19.484 1.00 32.29 O ATOM 1193 CG2 THR A 161 1.809 12.519 19.605 1.00 34.85 C ATOM 0 H THR A 161 0.755 12.991 17.103 1.00 25.58 H new ATOM 0 HA THR A 161 -0.499 11.165 18.600 1.00 32.96 H new ATOM 0 HB THR A 161 -0.080 12.361 20.422 1.00 30.03 H new ATOM 0 HG1 THR A 161 0.475 14.422 18.773 1.00 32.29 H new ATOM 0 HG21 THR A 161 2.207 12.951 20.377 1.00 34.85 H new ATOM 0 HG22 THR A 161 1.990 11.567 19.639 1.00 34.85 H new ATOM 0 HG23 THR A 161 2.190 12.892 18.795 1.00 34.85 H new ATOM 1194 N GLY A 162 -2.290 13.330 17.232 1.00 33.24 N ATOM 1195 CA GLY A 162 -3.562 14.047 17.164 1.00 34.71 C ATOM 1196 C GLY A 162 -3.524 15.421 17.822 1.00 32.68 C ATOM 1197 O GLY A 162 -4.510 16.161 17.827 1.00 35.21 O ATOM 0 H GLY A 162 -1.850 13.323 16.493 1.00 33.24 H new ATOM 0 HA2 GLY A 162 -3.818 14.149 16.234 1.00 34.71 H new ATOM 0 HA3 GLY A 162 -4.250 13.512 17.590 1.00 34.71 H new ATOM 1198 N LYS A 163 -2.375 15.794 18.380 1.00 35.40 N ATOM 1199 CA LYS A 163 -2.139 17.143 18.875 1.00 35.30 C ATOM 1200 C LYS A 163 -0.918 17.642 18.113 1.00 35.53 C ATOM 1201 O LYS A 163 0.134 16.982 18.054 1.00 35.21 O ATOM 1202 CB LYS A 163 -1.914 17.150 20.401 1.00 41.79 C ATOM 1203 CG LYS A 163 -3.262 17.056 21.097 1.00 59.57 C ATOM 1204 CD LYS A 163 -3.204 16.508 22.506 1.00 74.96 C ATOM 1205 CE LYS A 163 -4.615 16.571 23.068 1.00 78.22 C ATOM 1206 NZ LYS A 163 -4.713 15.749 24.301 1.00 93.84 N ATOM 0 H LYS A 163 -1.705 15.264 18.482 1.00 35.40 H new ATOM 0 HA LYS A 163 -2.904 17.722 18.730 1.00 35.30 H new ATOM 0 HB2 LYS A 163 -1.350 16.405 20.660 1.00 41.79 H new ATOM 0 HB3 LYS A 163 -1.454 17.961 20.669 1.00 41.79 H new ATOM 0 HG2 LYS A 163 -3.663 17.939 21.122 1.00 59.57 H new ATOM 0 HG3 LYS A 163 -3.848 16.493 20.567 1.00 59.57 H new ATOM 0 HD2 LYS A 163 -2.876 15.595 22.506 1.00 74.96 H new ATOM 0 HD3 LYS A 163 -2.594 17.029 23.052 1.00 74.96 H new ATOM 0 HE2 LYS A 163 -4.851 17.491 23.265 1.00 78.22 H new ATOM 0 HE3 LYS A 163 -5.248 16.251 22.407 1.00 78.22 H new ATOM 0 HZ1 LYS A 163 -5.542 15.792 24.622 1.00 93.84 H new ATOM 0 HZ2 LYS A 163 -4.513 14.903 24.111 1.00 93.84 H new ATOM 0 HZ3 LYS A 163 -4.143 16.058 24.910 1.00 93.84 H new ATOM 1207 N CYS A 164 -1.074 18.749 17.426 1.00 24.55 N ATOM 1208 CA CYS A 164 0.096 19.337 16.705 1.00 20.97 C ATOM 1209 C CYS A 164 -0.352 20.737 16.423 1.00 23.98 C ATOM 1210 O CYS A 164 -1.596 21.013 16.359 1.00 22.70 O ATOM 1211 CB CYS A 164 0.464 18.587 15.386 1.00 23.32 C ATOM 1212 SG CYS A 164 -0.949 18.596 14.227 1.00 23.28 S ATOM 0 H CYS A 164 -1.812 19.183 17.349 1.00 24.55 H new ATOM 0 HA CYS A 164 0.907 19.278 17.233 1.00 20.97 H new ATOM 0 HB2 CYS A 164 1.232 19.010 14.971 1.00 23.32 H new ATOM 0 HB3 CYS A 164 0.718 17.673 15.588 1.00 23.32 H new ATOM 1213 N GLY A 165 0.621 21.615 16.242 1.00 19.21 N ATOM 1214 CA GLY A 165 0.289 23.007 15.874 1.00 18.43 C ATOM 1215 C GLY A 165 0.752 23.290 14.436 1.00 18.35 C ATOM 1216 O GLY A 165 1.450 22.473 13.827 1.00 19.28 O ATOM 0 H GLY A 165 1.460 21.445 16.322 1.00 19.21 H new ATOM 0 HA2 GLY A 165 -0.667 23.151 15.949 1.00 18.43 H new ATOM 0 HA3 GLY A 165 0.718 23.624 16.488 1.00 18.43 H new ATOM 1217 N PRO A 166 0.407 24.486 13.919 1.00 17.83 N ATOM 1218 CA PRO A 166 1.039 24.980 12.717 1.00 15.82 C ATOM 1219 C PRO A 166 2.593 25.051 12.954 1.00 18.28 C ATOM 1220 O PRO A 166 3.113 25.217 14.105 1.00 17.72 O ATOM 1221 CB PRO A 166 0.461 26.402 12.510 1.00 18.08 C ATOM 1222 CG PRO A 166 -0.161 26.755 13.846 1.00 22.04 C ATOM 1223 CD PRO A 166 -0.307 25.524 14.701 1.00 19.00 C ATOM 0 HA PRO A 166 0.878 24.415 11.945 1.00 15.82 H new ATOM 0 HB2 PRO A 166 1.155 27.034 12.265 1.00 18.08 H new ATOM 0 HB3 PRO A 166 -0.198 26.416 11.799 1.00 18.08 H new ATOM 0 HG2 PRO A 166 0.390 27.409 14.303 1.00 22.04 H new ATOM 0 HG3 PRO A 166 -1.030 27.164 13.707 1.00 22.04 H new ATOM 0 HD2 PRO A 166 0.088 25.647 15.578 1.00 19.00 H new ATOM 0 HD3 PRO A 166 -1.239 25.292 14.839 1.00 19.00 H new ATOM 1224 N THR A 167 3.291 25.069 11.841 1.00 16.21 N ATOM 1225 CA THR A 167 4.784 25.126 11.863 1.00 15.26 C ATOM 1226 C THR A 167 5.283 26.143 10.856 1.00 16.81 C ATOM 1227 O THR A 167 4.526 26.662 10.027 1.00 16.34 O ATOM 1228 CB THR A 167 5.378 23.702 11.534 1.00 14.93 C ATOM 1229 OG1 THR A 167 4.992 23.398 10.167 1.00 13.93 O ATOM 1230 CG2 THR A 167 4.819 22.599 12.475 1.00 15.93 C ATOM 0 H THR A 167 2.945 25.050 11.054 1.00 16.21 H new ATOM 0 HA THR A 167 5.077 25.395 12.748 1.00 15.26 H new ATOM 0 HB THR A 167 6.340 23.718 11.656 1.00 14.93 H new ATOM 0 HG1 THR A 167 4.518 22.704 10.157 1.00 13.93 H new ATOM 0 HG21 THR A 167 5.209 21.743 12.238 1.00 15.93 H new ATOM 0 HG22 THR A 167 5.044 22.813 13.394 1.00 15.93 H new ATOM 0 HG23 THR A 167 3.855 22.551 12.381 1.00 15.93 H new ATOM 1231 N GLU A 168 6.570 26.443 10.871 1.00 15.41 N ATOM 1232 CA GLU A 168 7.122 27.347 9.877 1.00 17.09 C ATOM 1233 C GLU A 168 6.793 26.778 8.471 1.00 17.05 C ATOM 1234 O GLU A 168 6.462 27.558 7.532 1.00 16.91 O ATOM 1235 CB GLU A 168 8.643 27.369 10.035 1.00 23.25 C ATOM 1236 CG GLU A 168 9.325 28.568 9.426 1.00 39.42 C ATOM 1237 CD GLU A 168 9.348 29.699 10.442 1.00 58.12 C ATOM 1238 OE1 GLU A 168 10.487 29.971 10.900 1.00 66.85 O ATOM 1239 OE2 GLU A 168 8.252 30.247 10.837 1.00 53.93 O ATOM 0 H GLU A 168 7.137 26.138 11.441 1.00 15.41 H new ATOM 0 HA GLU A 168 6.754 28.238 9.985 1.00 17.09 H new ATOM 0 HB2 GLU A 168 8.858 27.336 10.980 1.00 23.25 H new ATOM 0 HB3 GLU A 168 9.009 26.566 9.633 1.00 23.25 H new ATOM 0 HG2 GLU A 168 10.229 28.339 9.160 1.00 39.42 H new ATOM 0 HG3 GLU A 168 8.856 28.848 8.624 1.00 39.42 H new ATOM 1240 N TYR A 169 6.864 25.460 8.354 1.00 14.37 N ATOM 1241 CA TYR A 169 6.580 24.900 7.042 1.00 13.30 C ATOM 1242 C TYR A 169 5.118 24.903 6.636 1.00 14.94 C ATOM 1243 O TYR A 169 4.837 25.251 5.463 1.00 17.13 O ATOM 1244 CB TYR A 169 7.125 23.472 6.961 1.00 13.49 C ATOM 1245 CG TYR A 169 8.653 23.404 7.070 1.00 13.23 C ATOM 1246 CD1 TYR A 169 9.507 24.076 6.186 1.00 15.29 C ATOM 1247 CD2 TYR A 169 9.206 22.631 8.103 1.00 14.07 C ATOM 1248 CE1 TYR A 169 10.886 23.958 6.323 1.00 16.02 C ATOM 1249 CE2 TYR A 169 10.577 22.462 8.272 1.00 14.45 C ATOM 1250 CZ TYR A 169 11.395 23.186 7.366 1.00 16.35 C ATOM 1251 OH TYR A 169 12.789 23.078 7.502 1.00 17.69 O ATOM 0 H TYR A 169 7.062 24.902 8.978 1.00 14.37 H new ATOM 0 HA TYR A 169 7.025 25.490 6.414 1.00 13.30 H new ATOM 0 HB2 TYR A 169 6.732 22.941 7.671 1.00 13.49 H new ATOM 0 HB3 TYR A 169 6.848 23.073 6.121 1.00 13.49 H new ATOM 0 HD1 TYR A 169 9.151 24.602 5.506 1.00 15.29 H new ATOM 0 HD2 TYR A 169 8.630 22.213 8.702 1.00 14.07 H new ATOM 0 HE1 TYR A 169 11.459 24.387 5.729 1.00 16.02 H new ATOM 0 HE2 TYR A 169 10.933 21.913 8.933 1.00 14.45 H new ATOM 0 HH TYR A 169 12.969 22.591 8.162 1.00 17.69 H new ATOM 1252 N SER A 170 4.195 24.587 7.550 1.00 15.06 N ATOM 1253 CA SER A 170 2.782 24.585 7.181 1.00 15.50 C ATOM 1254 C SER A 170 2.399 26.056 6.912 1.00 17.60 C ATOM 1255 O SER A 170 1.570 26.334 5.978 1.00 17.50 O ATOM 1256 CB SER A 170 1.892 23.983 8.259 1.00 17.37 C ATOM 1257 OG SER A 170 1.861 24.877 9.401 1.00 16.56 O ATOM 0 H SER A 170 4.362 24.377 8.367 1.00 15.06 H new ATOM 0 HA SER A 170 2.648 24.029 6.398 1.00 15.50 H new ATOM 0 HB2 SER A 170 0.995 23.847 7.915 1.00 17.37 H new ATOM 0 HB3 SER A 170 2.229 23.113 8.524 1.00 17.37 H new ATOM 0 HG SER A 170 1.236 25.430 9.307 1.00 16.56 H new ATOM 1258 N ARG A 171 3.036 27.019 7.614 1.00 16.69 N ATOM 1259 CA ARG A 171 2.635 28.481 7.401 1.00 16.02 C ATOM 1260 C ARG A 171 3.020 28.973 6.016 1.00 16.66 C ATOM 1261 O ARG A 171 2.397 29.876 5.486 1.00 18.22 O ATOM 1262 CB ARG A 171 3.275 29.411 8.466 1.00 17.35 C ATOM 1263 CG ARG A 171 2.536 29.242 9.782 1.00 19.11 C ATOM 1264 CD ARG A 171 3.310 30.234 10.757 1.00 19.62 C ATOM 1265 NE ARG A 171 2.716 30.032 12.066 1.00 24.13 N ATOM 1266 CZ ARG A 171 3.228 29.268 13.047 1.00 22.93 C ATOM 1267 NH1 ARG A 171 4.389 28.665 12.908 1.00 24.69 N ATOM 1268 NH2 ARG A 171 2.581 29.151 14.237 1.00 27.27 N ATOM 0 H ARG A 171 3.664 26.884 8.186 1.00 16.69 H new ATOM 0 HA ARG A 171 1.670 28.514 7.491 1.00 16.02 H new ATOM 0 HB2 ARG A 171 4.214 29.194 8.579 1.00 17.35 H new ATOM 0 HB3 ARG A 171 3.231 30.335 8.174 1.00 17.35 H new ATOM 0 HG2 ARG A 171 1.599 29.477 9.700 1.00 19.11 H new ATOM 0 HG3 ARG A 171 2.572 28.326 10.099 1.00 19.11 H new ATOM 0 HD2 ARG A 171 4.260 30.040 10.771 1.00 19.62 H new ATOM 0 HD3 ARG A 171 3.213 31.155 10.468 1.00 19.62 H new ATOM 0 HE ARG A 171 1.974 30.435 12.228 1.00 24.13 H new ATOM 0 HH11 ARG A 171 4.836 28.756 12.179 1.00 24.69 H new ATOM 0 HH12 ARG A 171 4.701 28.180 13.546 1.00 24.69 H new ATOM 0 HH21 ARG A 171 1.839 29.567 14.366 1.00 27.27 H new ATOM 0 HH22 ARG A 171 2.913 28.661 14.861 1.00 27.27 H new ATOM 1269 N PHE A 172 4.054 28.401 5.447 1.00 15.64 N ATOM 1270 CA PHE A 172 4.453 28.727 4.096 1.00 15.48 C ATOM 1271 C PHE A 172 3.323 28.376 3.097 1.00 16.66 C ATOM 1272 O PHE A 172 2.963 29.178 2.216 1.00 16.30 O ATOM 1273 CB PHE A 172 5.755 27.963 3.769 1.00 16.39 C ATOM 1274 CG PHE A 172 6.021 27.869 2.307 1.00 18.17 C ATOM 1275 CD1 PHE A 172 6.399 29.018 1.562 1.00 18.30 C ATOM 1276 CD2 PHE A 172 5.758 26.667 1.631 1.00 16.35 C ATOM 1277 CE1 PHE A 172 6.564 28.964 0.133 1.00 20.25 C ATOM 1278 CE2 PHE A 172 5.929 26.624 0.221 1.00 18.71 C ATOM 1279 CZ PHE A 172 6.393 27.758 -0.501 1.00 18.70 C ATOM 0 H PHE A 172 4.548 27.811 5.831 1.00 15.64 H new ATOM 0 HA PHE A 172 4.617 29.680 4.018 1.00 15.48 H new ATOM 0 HB2 PHE A 172 6.502 28.406 4.201 1.00 16.39 H new ATOM 0 HB3 PHE A 172 5.702 27.069 4.141 1.00 16.39 H new ATOM 0 HD1 PHE A 172 6.543 29.822 2.007 1.00 18.30 H new ATOM 0 HD2 PHE A 172 5.477 25.913 2.097 1.00 16.35 H new ATOM 0 HE1 PHE A 172 6.781 29.729 -0.350 1.00 20.25 H new ATOM 0 HE2 PHE A 172 5.734 25.839 -0.238 1.00 18.71 H new ATOM 0 HZ PHE A 172 6.582 27.682 -1.408 1.00 18.70 H new ATOM 1280 N PHE A 173 2.869 27.110 3.202 1.00 15.75 N ATOM 1281 CA PHE A 173 1.801 26.682 2.262 1.00 14.76 C ATOM 1282 C PHE A 173 0.539 27.547 2.505 1.00 17.50 C ATOM 1283 O PHE A 173 -0.162 27.896 1.547 1.00 18.72 O ATOM 1284 CB PHE A 173 1.490 25.161 2.476 1.00 13.86 C ATOM 1285 CG PHE A 173 2.540 24.225 1.942 1.00 14.08 C ATOM 1286 CD1 PHE A 173 2.547 23.884 0.555 1.00 14.84 C ATOM 1287 CD2 PHE A 173 3.542 23.700 2.795 1.00 14.23 C ATOM 1288 CE1 PHE A 173 3.507 23.014 0.106 1.00 15.70 C ATOM 1289 CE2 PHE A 173 4.501 22.818 2.324 1.00 15.89 C ATOM 1290 CZ PHE A 173 4.499 22.522 0.935 1.00 18.24 C ATOM 0 H PHE A 173 3.140 26.520 3.766 1.00 15.75 H new ATOM 0 HA PHE A 173 2.092 26.805 1.345 1.00 14.76 H new ATOM 0 HB2 PHE A 173 1.380 24.996 3.425 1.00 13.86 H new ATOM 0 HB3 PHE A 173 0.643 24.954 2.052 1.00 13.86 H new ATOM 0 HD1 PHE A 173 1.917 24.242 -0.028 1.00 14.84 H new ATOM 0 HD2 PHE A 173 3.556 23.953 3.690 1.00 14.23 H new ATOM 0 HE1 PHE A 173 3.491 22.746 -0.784 1.00 15.70 H new ATOM 0 HE2 PHE A 173 5.124 22.433 2.897 1.00 15.89 H new ATOM 0 HZ PHE A 173 5.173 21.990 0.578 1.00 18.24 H new ATOM 1291 N LYS A 174 0.221 27.860 3.755 1.00 16.41 N ATOM 1292 CA LYS A 174 -0.969 28.609 4.101 1.00 16.55 C ATOM 1293 C LYS A 174 -0.899 30.063 3.658 1.00 16.57 C ATOM 1294 O LYS A 174 -1.915 30.605 3.228 1.00 18.71 O ATOM 1295 CB LYS A 174 -1.184 28.529 5.616 1.00 17.47 C ATOM 1296 CG LYS A 174 -2.609 28.927 6.039 1.00 19.32 C ATOM 1297 CD LYS A 174 -3.628 27.936 5.437 1.00 22.45 C ATOM 1298 CE LYS A 174 -4.989 28.121 6.037 1.00 22.75 C ATOM 1299 NZ LYS A 174 -5.866 26.999 5.531 1.00 21.91 N ATOM 0 H LYS A 174 0.701 27.638 4.433 1.00 16.41 H new ATOM 0 HA LYS A 174 -1.718 28.212 3.629 1.00 16.55 H new ATOM 0 HB2 LYS A 174 -1.003 27.625 5.917 1.00 17.47 H new ATOM 0 HB3 LYS A 174 -0.546 29.109 6.060 1.00 17.47 H new ATOM 0 HG2 LYS A 174 -2.680 28.929 7.006 1.00 19.32 H new ATOM 0 HG3 LYS A 174 -2.805 29.828 5.738 1.00 19.32 H new ATOM 0 HD2 LYS A 174 -3.676 28.062 4.476 1.00 22.45 H new ATOM 0 HD3 LYS A 174 -3.326 27.027 5.589 1.00 22.45 H new ATOM 0 HE2 LYS A 174 -4.940 28.105 7.006 1.00 22.75 H new ATOM 0 HE3 LYS A 174 -5.358 28.982 5.786 1.00 22.75 H new ATOM 0 HZ1 LYS A 174 -6.616 26.970 6.009 1.00 21.91 H new ATOM 0 HZ2 LYS A 174 -6.065 27.140 4.675 1.00 21.91 H new ATOM 0 HZ3 LYS A 174 -5.434 26.225 5.611 1.00 21.91 H new ATOM 1300 N ARG A 175 0.292 30.646 3.662 1.00 16.40 N ATOM 1301 CA ARG A 175 0.449 32.061 3.267 1.00 19.15 C ATOM 1302 C ARG A 175 0.188 32.168 1.740 1.00 19.73 C ATOM 1303 O ARG A 175 -0.426 33.136 1.294 1.00 22.17 O ATOM 1304 CB ARG A 175 1.834 32.463 3.654 1.00 23.75 C ATOM 1305 CG ARG A 175 2.303 33.728 3.048 1.00 27.86 C ATOM 1306 CD ARG A 175 3.631 34.127 3.721 1.00 30.91 C ATOM 1307 NE ARG A 175 4.848 33.387 3.293 1.00 36.25 N ATOM 1308 CZ ARG A 175 5.467 33.577 2.111 1.00 36.54 C ATOM 1309 NH1 ARG A 175 4.969 34.471 1.243 1.00 36.57 N ATOM 1310 NH2 ARG A 175 6.597 32.920 1.801 1.00 33.17 N ATOM 0 H ARG A 175 1.023 30.252 3.887 1.00 16.40 H new ATOM 0 HA ARG A 175 -0.179 32.656 3.706 1.00 19.15 H new ATOM 0 HB2 ARG A 175 1.875 32.546 4.620 1.00 23.75 H new ATOM 0 HB3 ARG A 175 2.445 31.753 3.404 1.00 23.75 H new ATOM 0 HG2 ARG A 175 2.429 33.618 2.092 1.00 27.86 H new ATOM 0 HG3 ARG A 175 1.640 34.426 3.169 1.00 27.86 H new ATOM 0 HD2 ARG A 175 3.780 35.072 3.560 1.00 30.91 H new ATOM 0 HD3 ARG A 175 3.530 34.015 4.679 1.00 30.91 H new ATOM 0 HE ARG A 175 5.176 32.803 3.832 1.00 36.25 H new ATOM 0 HH11 ARG A 175 4.261 34.916 1.443 1.00 36.57 H new ATOM 0 HH12 ARG A 175 5.358 34.598 0.487 1.00 36.57 H new ATOM 0 HH21 ARG A 175 6.939 32.365 2.362 1.00 33.17 H new ATOM 0 HH22 ARG A 175 6.978 33.054 1.042 1.00 33.17 H new ATOM 1311 N LEU A 176 0.643 31.170 0.975 1.00 17.97 N ATOM 1312 CA LEU A 176 0.517 31.196 -0.509 1.00 18.67 C ATOM 1313 C LEU A 176 -0.888 30.670 -0.953 1.00 20.60 C ATOM 1314 O LEU A 176 -1.414 31.164 -2.014 1.00 20.77 O ATOM 1315 CB LEU A 176 1.598 30.382 -1.198 1.00 19.70 C ATOM 1316 CG LEU A 176 3.062 30.806 -1.038 1.00 25.75 C ATOM 1317 CD1 LEU A 176 3.911 30.499 -2.226 1.00 28.40 C ATOM 1318 CD2 LEU A 176 3.179 32.264 -0.687 1.00 29.88 C ATOM 0 H LEU A 176 1.028 30.466 1.285 1.00 17.97 H new ATOM 0 HA LEU A 176 0.623 32.122 -0.778 1.00 18.67 H new ATOM 0 HB2 LEU A 176 1.522 29.468 -0.883 1.00 19.70 H new ATOM 0 HB3 LEU A 176 1.398 30.373 -2.147 1.00 19.70 H new ATOM 0 HG LEU A 176 3.401 30.270 -0.304 1.00 25.75 H new ATOM 0 HD11 LEU A 176 4.820 30.792 -2.058 1.00 28.40 H new ATOM 0 HD12 LEU A 176 3.905 29.543 -2.390 1.00 28.40 H new ATOM 0 HD13 LEU A 176 3.561 30.962 -3.003 1.00 28.40 H new ATOM 0 HD21 LEU A 176 4.115 32.500 -0.593 1.00 29.88 H new ATOM 0 HD22 LEU A 176 2.780 32.799 -1.391 1.00 29.88 H new ATOM 0 HD23 LEU A 176 2.718 32.434 0.149 1.00 29.88 H new ATOM 1319 N CYS A 177 -1.465 29.727 -0.178 1.00 18.96 N ATOM 1320 CA CYS A 177 -2.770 29.139 -0.489 1.00 20.00 C ATOM 1321 C CYS A 177 -3.667 29.027 0.718 1.00 19.84 C ATOM 1322 O CYS A 177 -3.825 27.942 1.316 1.00 19.51 O ATOM 1323 CB CYS A 177 -2.598 27.748 -1.164 1.00 17.69 C ATOM 1324 SG CYS A 177 -2.126 27.974 -2.883 1.00 19.48 S ATOM 0 H CYS A 177 -1.105 29.417 0.539 1.00 18.96 H new ATOM 0 HA CYS A 177 -3.205 29.746 -1.108 1.00 20.00 H new ATOM 0 HB2 CYS A 177 -1.922 27.232 -0.698 1.00 17.69 H new ATOM 0 HB3 CYS A 177 -3.426 27.246 -1.109 1.00 17.69 H new ATOM 1325 N PRO A 178 -4.293 30.142 1.121 1.00 21.01 N ATOM 1326 CA PRO A 178 -5.040 30.132 2.379 1.00 21.54 C ATOM 1327 C PRO A 178 -6.269 29.185 2.291 1.00 20.84 C ATOM 1328 O PRO A 178 -6.720 28.695 3.310 1.00 22.59 O ATOM 1329 CB PRO A 178 -5.595 31.561 2.497 1.00 23.27 C ATOM 1330 CG PRO A 178 -4.888 32.350 1.427 1.00 24.21 C ATOM 1331 CD PRO A 178 -4.114 31.504 0.519 1.00 21.96 C ATOM 0 HA PRO A 178 -4.478 29.845 3.115 1.00 21.54 H new ATOM 0 HB2 PRO A 178 -6.556 31.575 2.366 1.00 23.27 H new ATOM 0 HB3 PRO A 178 -5.423 31.932 3.377 1.00 23.27 H new ATOM 0 HG2 PRO A 178 -5.542 32.853 0.916 1.00 24.21 H new ATOM 0 HG3 PRO A 178 -4.297 32.996 1.844 1.00 24.21 H new ATOM 0 HD2 PRO A 178 -4.451 31.545 -0.390 1.00 21.96 H new ATOM 0 HD3 PRO A 178 -3.181 31.766 0.488 1.00 21.96 H new ATOM 1332 N ASP A 179 -6.768 28.932 1.071 1.00 19.91 N ATOM 1333 CA ASP A 179 -7.959 28.088 0.932 1.00 24.65 C ATOM 1334 C ASP A 179 -7.699 26.614 0.857 1.00 24.30 C ATOM 1335 O ASP A 179 -8.625 25.852 0.657 1.00 26.09 O ATOM 1336 CB ASP A 179 -8.755 28.455 -0.313 1.00 30.95 C ATOM 1337 CG ASP A 179 -9.517 29.747 -0.110 1.00 36.05 C ATOM 1338 OD1 ASP A 179 -9.825 30.136 1.060 1.00 46.75 O ATOM 1339 OD2 ASP A 179 -9.784 30.376 -1.110 1.00 43.37 O ATOM 0 H ASP A 179 -6.441 29.231 0.334 1.00 19.91 H new ATOM 0 HA ASP A 179 -8.449 28.265 1.750 1.00 24.65 H new ATOM 0 HB2 ASP A 179 -8.155 28.545 -1.070 1.00 30.95 H new ATOM 0 HB3 ASP A 179 -9.375 27.740 -0.527 1.00 30.95 H new ATOM 1340 N ALA A 180 -6.453 26.201 1.075 1.00 17.64 N ATOM 1341 CA ALA A 180 -6.108 24.749 1.061 1.00 15.00 C ATOM 1342 C ALA A 180 -5.649 24.299 2.436 1.00 17.50 C ATOM 1343 O ALA A 180 -5.007 25.089 3.174 1.00 17.13 O ATOM 1344 CB ALA A 180 -5.013 24.458 0.029 1.00 15.70 C ATOM 0 H ALA A 180 -5.790 26.726 1.232 1.00 17.64 H new ATOM 0 HA ALA A 180 -6.906 24.255 0.815 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -4.804 23.511 0.037 1.00 15.70 H new ATOM 0 HB2 ALA A 180 -5.324 24.713 -0.854 1.00 15.70 H new ATOM 0 HB3 ALA A 180 -4.217 24.966 0.250 1.00 15.70 H new ATOM 1345 N PHE A 181 -5.933 23.061 2.808 1.00 16.57 N ATOM 1346 CA PHE A 181 -5.332 22.548 4.075 1.00 17.15 C ATOM 1347 C PHE A 181 -3.815 22.567 4.041 1.00 17.86 C ATOM 1348 O PHE A 181 -3.169 22.056 3.092 1.00 17.68 O ATOM 1349 CB PHE A 181 -5.736 21.111 4.286 1.00 19.53 C ATOM 1350 CG PHE A 181 -7.153 20.946 4.809 1.00 20.66 C ATOM 1351 CD1 PHE A 181 -8.251 20.870 3.918 1.00 23.60 C ATOM 1352 CD2 PHE A 181 -7.364 20.810 6.183 1.00 20.90 C ATOM 1353 CE1 PHE A 181 -9.572 20.694 4.416 1.00 26.25 C ATOM 1354 CE2 PHE A 181 -8.676 20.644 6.685 1.00 24.06 C ATOM 1355 CZ PHE A 181 -9.754 20.570 5.822 1.00 25.40 C ATOM 0 H PHE A 181 -6.440 22.513 2.382 1.00 16.57 H new ATOM 0 HA PHE A 181 -5.651 23.127 4.784 1.00 17.15 H new ATOM 0 HB2 PHE A 181 -5.652 20.633 3.446 1.00 19.53 H new ATOM 0 HB3 PHE A 181 -5.119 20.698 4.910 1.00 19.53 H new ATOM 0 HD1 PHE A 181 -8.108 20.936 3.001 1.00 23.60 H new ATOM 0 HD2 PHE A 181 -6.641 20.829 6.768 1.00 20.90 H new ATOM 0 HE1 PHE A 181 -10.299 20.661 3.837 1.00 26.25 H new ATOM 0 HE2 PHE A 181 -8.815 20.584 7.603 1.00 24.06 H new ATOM 0 HZ PHE A 181 -10.608 20.438 6.165 1.00 25.40 H new ATOM 1356 N SER A 182 -3.224 23.069 5.147 1.00 17.32 N ATOM 1357 CA SER A 182 -1.735 23.196 5.160 1.00 15.55 C ATOM 1358 C SER A 182 -1.060 22.194 6.132 1.00 16.39 C ATOM 1359 O SER A 182 0.131 21.929 6.050 1.00 17.81 O ATOM 1360 CB SER A 182 -1.294 24.647 5.451 1.00 16.54 C ATOM 1361 OG SER A 182 -1.631 24.956 6.795 1.00 17.82 O ATOM 0 H SER A 182 -3.631 23.328 5.859 1.00 17.32 H new ATOM 0 HA SER A 182 -1.430 22.966 4.268 1.00 15.55 H new ATOM 0 HB2 SER A 182 -0.339 24.744 5.312 1.00 16.54 H new ATOM 0 HB3 SER A 182 -1.733 25.262 4.843 1.00 16.54 H new ATOM 0 HG SER A 182 -2.465 24.924 6.889 1.00 17.82 H new ATOM 1362 N TYR A 183 -1.858 21.641 7.052 1.00 16.18 N ATOM 1363 CA TYR A 183 -1.430 20.609 7.978 1.00 16.45 C ATOM 1364 C TYR A 183 -2.684 19.872 8.478 1.00 19.96 C ATOM 1365 O TYR A 183 -3.830 20.321 8.246 1.00 19.49 O ATOM 1366 CB TYR A 183 -0.535 21.128 9.145 1.00 16.93 C ATOM 1367 CG TYR A 183 -1.245 21.973 10.192 1.00 16.83 C ATOM 1368 CD1 TYR A 183 -1.671 23.307 9.930 1.00 16.99 C ATOM 1369 CD2 TYR A 183 -1.485 21.400 11.467 1.00 19.20 C ATOM 1370 CE1 TYR A 183 -2.327 24.081 10.913 1.00 19.05 C ATOM 1371 CE2 TYR A 183 -2.123 22.163 12.475 1.00 19.51 C ATOM 1372 CZ TYR A 183 -2.560 23.474 12.159 1.00 21.76 C ATOM 1373 OH TYR A 183 -3.196 24.167 13.126 1.00 24.05 O ATOM 0 H TYR A 183 -2.682 21.867 7.150 1.00 16.18 H new ATOM 0 HA TYR A 183 -0.847 19.995 7.505 1.00 16.45 H new ATOM 0 HB2 TYR A 183 -0.133 20.364 9.587 1.00 16.93 H new ATOM 0 HB3 TYR A 183 0.190 21.651 8.768 1.00 16.93 H new ATOM 0 HD1 TYR A 183 -1.513 23.677 9.092 1.00 16.99 H new ATOM 0 HD2 TYR A 183 -1.224 20.525 11.641 1.00 19.20 H new ATOM 0 HE1 TYR A 183 -2.594 24.956 10.743 1.00 19.05 H new ATOM 0 HE2 TYR A 183 -2.253 21.811 13.326 1.00 19.51 H new ATOM 0 HH TYR A 183 -3.269 23.688 13.812 1.00 24.05 H new ATOM 1374 N VAL A 184 -2.456 18.749 9.149 1.00 20.69 N ATOM 1375 CA VAL A 184 -3.589 17.805 9.430 1.00 22.17 C ATOM 1376 C VAL A 184 -4.647 18.529 10.285 1.00 24.14 C ATOM 1377 O VAL A 184 -5.816 18.380 10.013 1.00 25.93 O ATOM 1378 CB VAL A 184 -3.088 16.511 10.124 1.00 25.75 C ATOM 1379 CG1 VAL A 184 -4.254 15.712 10.775 1.00 27.20 C ATOM 1380 CG2 VAL A 184 -2.316 15.672 9.123 1.00 29.24 C ATOM 0 H VAL A 184 -1.689 18.502 9.450 1.00 20.69 H new ATOM 0 HA VAL A 184 -3.992 17.533 8.591 1.00 22.17 H new ATOM 0 HB VAL A 184 -2.494 16.756 10.850 1.00 25.75 H new ATOM 0 HG11 VAL A 184 -3.903 14.913 11.197 1.00 27.20 H new ATOM 0 HG12 VAL A 184 -4.692 16.264 11.442 1.00 27.20 H new ATOM 0 HG13 VAL A 184 -4.895 15.461 10.092 1.00 27.20 H new ATOM 0 HG21 VAL A 184 -2.001 14.862 9.554 1.00 29.24 H new ATOM 0 HG22 VAL A 184 -2.895 15.439 8.381 1.00 29.24 H new ATOM 0 HG23 VAL A 184 -1.557 16.178 8.793 1.00 29.24 H new ATOM 1381 N LEU A 185 -4.305 19.369 11.259 1.00 21.72 N ATOM 1382 CA LEU A 185 -5.322 20.005 12.099 1.00 25.22 C ATOM 1383 C LEU A 185 -5.621 21.441 11.758 1.00 24.43 C ATOM 1384 O LEU A 185 -6.063 22.213 12.601 1.00 26.62 O ATOM 1385 CB LEU A 185 -4.932 19.854 13.593 1.00 27.41 C ATOM 1386 CG LEU A 185 -4.947 18.531 14.333 1.00 35.36 C ATOM 1387 CD1 LEU A 185 -4.661 18.785 15.816 1.00 30.26 C ATOM 1388 CD2 LEU A 185 -6.297 17.826 14.164 1.00 41.59 C ATOM 0 H LEU A 185 -3.495 19.584 11.450 1.00 21.72 H new ATOM 0 HA LEU A 185 -6.152 19.536 11.918 1.00 25.22 H new ATOM 0 HB2 LEU A 185 -4.031 20.203 13.676 1.00 27.41 H new ATOM 0 HB3 LEU A 185 -5.514 20.451 14.089 1.00 27.41 H new ATOM 0 HG LEU A 185 -4.262 17.952 13.963 1.00 35.36 H new ATOM 0 HD11 LEU A 185 -4.669 17.942 16.296 1.00 30.26 H new ATOM 0 HD12 LEU A 185 -3.791 19.203 15.911 1.00 30.26 H new ATOM 0 HD13 LEU A 185 -5.342 19.371 16.181 1.00 30.26 H new ATOM 0 HD21 LEU A 185 -6.285 16.983 14.644 1.00 41.59 H new ATOM 0 HD22 LEU A 185 -7.003 18.389 14.518 1.00 41.59 H new ATOM 0 HD23 LEU A 185 -6.459 17.658 13.222 1.00 41.59 H new ATOM 1389 N ASP A 186 -5.325 21.870 10.500 1.00 21.18 N ATOM 1390 CA ASP A 186 -5.595 23.187 10.072 1.00 21.50 C ATOM 1391 C ASP A 186 -7.153 23.496 10.198 1.00 26.09 C ATOM 1392 O ASP A 186 -7.936 22.564 10.121 1.00 27.32 O ATOM 1393 CB ASP A 186 -5.134 23.271 8.610 1.00 21.30 C ATOM 1394 CG ASP A 186 -4.855 24.651 8.145 1.00 22.36 C ATOM 1395 OD1 ASP A 186 -5.180 25.638 8.809 1.00 24.46 O ATOM 1396 OD2 ASP A 186 -4.370 24.826 7.024 1.00 22.83 O ATOM 0 H ASP A 186 -4.962 21.373 9.900 1.00 21.18 H new ATOM 0 HA ASP A 186 -5.130 23.842 10.617 1.00 21.50 H new ATOM 0 HB2 ASP A 186 -4.333 22.735 8.502 1.00 21.30 H new ATOM 0 HB3 ASP A 186 -5.816 22.880 8.042 1.00 21.30 H new ATOM 1397 N LYS A 187 -7.553 24.759 10.434 1.00 28.80 N ATOM 1398 CA LYS A 187 -9.005 25.110 10.505 1.00 35.42 C ATOM 1399 C LYS A 187 -9.582 24.696 9.143 1.00 32.79 C ATOM 1400 O LYS A 187 -9.031 25.122 8.111 1.00 30.49 O ATOM 1401 CB LYS A 187 -9.213 26.613 10.715 1.00 36.36 C ATOM 1402 CG LYS A 187 -10.699 27.010 10.824 1.00 56.61 C ATOM 1403 CD LYS A 187 -10.961 28.272 11.703 1.00 77.10 C ATOM 1404 CE LYS A 187 -10.620 29.631 11.042 1.00 75.89 C ATOM 1405 NZ LYS A 187 -11.754 30.280 10.302 1.00 68.89 N ATOM 0 H LYS A 187 -7.018 25.421 10.555 1.00 28.80 H new ATOM 0 HA LYS A 187 -9.435 24.664 11.251 1.00 35.42 H new ATOM 0 HB2 LYS A 187 -8.751 26.888 11.522 1.00 36.36 H new ATOM 0 HB3 LYS A 187 -8.808 27.096 9.978 1.00 36.36 H new ATOM 0 HG2 LYS A 187 -11.046 27.171 9.933 1.00 56.61 H new ATOM 0 HG3 LYS A 187 -11.197 26.263 11.192 1.00 56.61 H new ATOM 0 HD2 LYS A 187 -11.897 28.280 11.958 1.00 77.10 H new ATOM 0 HD3 LYS A 187 -10.445 28.190 12.520 1.00 77.10 H new ATOM 0 HE2 LYS A 187 -10.309 30.241 11.730 1.00 75.89 H new ATOM 0 HE3 LYS A 187 -9.883 29.499 10.426 1.00 75.89 H new ATOM 0 HZ1 LYS A 187 -11.479 31.051 9.954 1.00 68.89 H new ATOM 0 HZ2 LYS A 187 -12.029 29.742 9.649 1.00 68.89 H new ATOM 0 HZ3 LYS A 187 -12.427 30.432 10.864 1.00 68.89 H new ATOM 1406 N PRO A 188 -10.603 23.818 9.124 1.00 35.98 N ATOM 1407 CA PRO A 188 -11.050 23.268 7.798 1.00 35.11 C ATOM 1408 C PRO A 188 -11.401 24.300 6.757 1.00 33.62 C ATOM 1409 O PRO A 188 -11.919 25.396 7.051 1.00 29.98 O ATOM 1410 CB PRO A 188 -12.269 22.376 8.151 1.00 38.54 C ATOM 1411 CG PRO A 188 -12.157 22.121 9.634 1.00 45.89 C ATOM 1412 CD PRO A 188 -11.450 23.335 10.240 1.00 41.70 C ATOM 0 HA PRO A 188 -10.321 22.788 7.375 1.00 35.11 H new ATOM 0 HB2 PRO A 188 -13.103 22.821 7.934 1.00 38.54 H new ATOM 0 HB3 PRO A 188 -12.252 21.545 7.650 1.00 38.54 H new ATOM 0 HG2 PRO A 188 -13.035 22.001 10.030 1.00 45.89 H new ATOM 0 HG3 PRO A 188 -11.655 21.309 9.806 1.00 45.89 H new ATOM 0 HD2 PRO A 188 -12.082 24.011 10.530 1.00 41.70 H new ATOM 0 HD3 PRO A 188 -10.919 23.092 11.015 1.00 41.70 H new ATOM 1413 N THR A 189 -10.992 24.008 5.540 1.00 28.24 N ATOM 1414 CA THR A 189 -11.376 24.905 4.389 1.00 27.83 C ATOM 1415 C THR A 189 -12.295 24.105 3.462 1.00 26.16 C ATOM 1416 O THR A 189 -12.442 24.403 2.252 1.00 28.13 O ATOM 1417 CB THR A 189 -10.132 25.363 3.599 1.00 26.27 C ATOM 1418 OG1 THR A 189 -9.325 24.208 3.417 1.00 29.63 O ATOM 1419 CG2 THR A 189 -9.391 26.414 4.430 1.00 30.13 C ATOM 0 H THR A 189 -10.508 23.328 5.332 1.00 28.24 H new ATOM 0 HA THR A 189 -11.820 25.696 4.731 1.00 27.83 H new ATOM 0 HB THR A 189 -10.360 25.755 2.741 1.00 26.27 H new ATOM 0 HG1 THR A 189 -8.813 24.324 2.761 1.00 29.63 H new ATOM 0 HG21 THR A 189 -8.605 26.713 3.947 1.00 30.13 H new ATOM 0 HG22 THR A 189 -9.977 27.170 4.593 1.00 30.13 H new ATOM 0 HG23 THR A 189 -9.121 26.026 5.277 1.00 30.13 H new ATOM 1420 N THR A 190 -12.917 23.083 4.053 1.00 28.65 N ATOM 1421 CA THR A 190 -13.858 22.266 3.336 1.00 24.93 C ATOM 1422 C THR A 190 -15.041 23.122 2.890 1.00 28.44 C ATOM 1423 O THR A 190 -15.529 23.975 3.634 1.00 27.76 O ATOM 1424 CB THR A 190 -14.301 21.174 4.303 1.00 29.51 C ATOM 1425 OG1 THR A 190 -13.107 20.473 4.699 1.00 33.12 O ATOM 1426 CG2 THR A 190 -15.219 20.133 3.602 1.00 28.75 C ATOM 0 H THR A 190 -12.798 22.855 4.874 1.00 28.65 H new ATOM 0 HA THR A 190 -13.468 21.875 2.539 1.00 24.93 H new ATOM 0 HB THR A 190 -14.784 21.575 5.042 1.00 29.51 H new ATOM 0 HG1 THR A 190 -13.307 19.860 5.237 1.00 33.12 H new ATOM 0 HG21 THR A 190 -15.484 19.453 4.241 1.00 28.75 H new ATOM 0 HG22 THR A 190 -16.009 20.578 3.258 1.00 28.75 H new ATOM 0 HG23 THR A 190 -14.737 19.718 2.869 1.00 28.75 H new ATOM 1427 N VAL A 191 -15.517 22.880 1.693 1.00 24.84 N ATOM 1428 CA VAL A 191 -16.769 23.501 1.166 1.00 26.01 C ATOM 1429 C VAL A 191 -17.876 22.456 1.136 1.00 24.00 C ATOM 1430 O VAL A 191 -17.696 21.303 0.642 1.00 24.95 O ATOM 1431 CB VAL A 191 -16.547 24.044 -0.277 1.00 25.19 C ATOM 1432 CG1 VAL A 191 -17.879 24.511 -0.936 1.00 27.79 C ATOM 1433 CG2 VAL A 191 -15.585 25.217 -0.233 1.00 27.17 C ATOM 0 H VAL A 191 -15.136 22.347 1.136 1.00 24.84 H new ATOM 0 HA VAL A 191 -17.017 24.238 1.746 1.00 26.01 H new ATOM 0 HB VAL A 191 -16.183 23.320 -0.810 1.00 25.19 H new ATOM 0 HG11 VAL A 191 -17.699 24.841 -1.830 1.00 27.79 H new ATOM 0 HG12 VAL A 191 -18.495 23.764 -0.985 1.00 27.79 H new ATOM 0 HG13 VAL A 191 -18.273 25.220 -0.403 1.00 27.79 H new ATOM 0 HG21 VAL A 191 -15.446 25.556 -1.131 1.00 27.17 H new ATOM 0 HG22 VAL A 191 -15.956 25.920 0.323 1.00 27.17 H new ATOM 0 HG23 VAL A 191 -14.737 24.926 0.137 1.00 27.17 H new ATOM 1434 N THR A 192 -19.086 22.876 1.603 1.00 24.48 N ATOM 1435 CA THR A 192 -20.236 21.938 1.651 1.00 27.06 C ATOM 1436 C THR A 192 -21.042 22.313 0.405 1.00 25.03 C ATOM 1437 O THR A 192 -21.341 23.528 0.172 1.00 25.91 O ATOM 1438 CB THR A 192 -21.113 22.153 2.941 1.00 28.11 C ATOM 1439 OG1 THR A 192 -20.327 21.876 4.111 1.00 30.66 O ATOM 1440 CG2 THR A 192 -22.273 21.111 2.958 1.00 29.05 C ATOM 0 H THR A 192 -19.252 23.671 1.885 1.00 24.48 H new ATOM 0 HA THR A 192 -19.953 21.010 1.676 1.00 27.06 H new ATOM 0 HB THR A 192 -21.442 23.065 2.935 1.00 28.11 H new ATOM 0 HG1 THR A 192 -20.275 21.045 4.224 1.00 30.66 H new ATOM 0 HG21 THR A 192 -22.814 21.242 3.752 1.00 29.05 H new ATOM 0 HG22 THR A 192 -22.824 21.227 2.169 1.00 29.05 H new ATOM 0 HG23 THR A 192 -21.903 20.214 2.964 1.00 29.05 H new ATOM 1441 N CYS A 193 -21.335 21.300 -0.395 1.00 22.91 N ATOM 1442 CA CYS A 193 -22.136 21.483 -1.637 1.00 24.85 C ATOM 1443 C CYS A 193 -23.399 20.612 -1.546 1.00 27.74 C ATOM 1444 O CYS A 193 -23.413 19.617 -0.799 1.00 24.79 O ATOM 1445 CB CYS A 193 -21.365 20.995 -2.883 1.00 26.71 C ATOM 1446 SG CYS A 193 -20.031 22.150 -3.283 1.00 27.38 S ATOM 0 H CYS A 193 -21.086 20.489 -0.251 1.00 22.91 H new ATOM 0 HA CYS A 193 -22.338 22.428 -1.718 1.00 24.85 H new ATOM 0 HB2 CYS A 193 -20.999 20.112 -2.720 1.00 26.71 H new ATOM 0 HB3 CYS A 193 -21.971 20.916 -3.636 1.00 26.71 H new ATOM 1447 N PRO A 194 -24.421 20.945 -2.373 1.00 30.04 N ATOM 1448 CA PRO A 194 -25.603 20.067 -2.427 1.00 31.63 C ATOM 1449 C PRO A 194 -25.187 18.654 -2.751 1.00 30.18 C ATOM 1450 O PRO A 194 -24.274 18.445 -3.579 1.00 30.74 O ATOM 1451 CB PRO A 194 -26.418 20.674 -3.600 1.00 34.28 C ATOM 1452 CG PRO A 194 -26.130 22.161 -3.498 1.00 35.12 C ATOM 1453 CD PRO A 194 -24.664 22.258 -3.007 1.00 33.00 C ATOM 0 HA PRO A 194 -26.097 20.022 -1.593 1.00 31.63 H new ATOM 0 HB2 PRO A 194 -26.136 20.313 -4.455 1.00 34.28 H new ATOM 0 HB3 PRO A 194 -27.366 20.487 -3.511 1.00 34.28 H new ATOM 0 HG2 PRO A 194 -26.242 22.599 -4.356 1.00 35.12 H new ATOM 0 HG3 PRO A 194 -26.737 22.594 -2.877 1.00 35.12 H new ATOM 0 HD2 PRO A 194 -24.052 22.418 -3.742 1.00 33.00 H new ATOM 0 HD3 PRO A 194 -24.546 22.986 -2.376 1.00 33.00 H new ATOM 1454 N GLY A 195 -25.822 17.664 -2.118 1.00 29.31 N ATOM 1455 CA GLY A 195 -25.604 16.217 -2.472 1.00 24.31 C ATOM 1456 C GLY A 195 -25.778 16.013 -3.983 1.00 26.37 C ATOM 1457 O GLY A 195 -26.647 16.639 -4.582 1.00 29.84 O ATOM 0 H GLY A 195 -26.385 17.789 -1.480 1.00 29.31 H new ATOM 0 HA2 GLY A 195 -24.714 15.941 -2.201 1.00 24.31 H new ATOM 0 HA3 GLY A 195 -26.234 15.660 -1.988 1.00 24.31 H new ATOM 1458 N SER A 196 -24.947 15.177 -4.614 1.00 25.11 N ATOM 1459 CA SER A 196 -25.018 14.869 -6.085 1.00 27.48 C ATOM 1460 C SER A 196 -24.672 16.028 -6.990 1.00 31.27 C ATOM 1461 O SER A 196 -25.161 16.089 -8.140 1.00 31.20 O ATOM 1462 CB SER A 196 -26.404 14.357 -6.468 1.00 28.63 C ATOM 1463 OG SER A 196 -26.615 13.188 -5.739 1.00 34.48 O ATOM 0 H SER A 196 -24.313 14.759 -4.210 1.00 25.11 H new ATOM 0 HA SER A 196 -24.341 14.187 -6.222 1.00 27.48 H new ATOM 0 HB2 SER A 196 -27.084 15.018 -6.263 1.00 28.63 H new ATOM 0 HB3 SER A 196 -26.456 14.183 -7.421 1.00 28.63 H new ATOM 0 HG SER A 196 -27.373 12.876 -5.923 1.00 34.48 H new ATOM 1464 N SER A 197 -23.860 16.978 -6.493 1.00 26.12 N ATOM 1465 CA SER A 197 -23.341 18.035 -7.377 1.00 24.98 C ATOM 1466 C SER A 197 -22.374 17.425 -8.374 1.00 21.75 C ATOM 1467 O SER A 197 -21.924 16.289 -8.258 1.00 23.77 O ATOM 1468 CB SER A 197 -22.624 19.134 -6.570 1.00 25.22 C ATOM 1469 OG SER A 197 -23.478 19.832 -5.664 1.00 27.96 O ATOM 0 H SER A 197 -23.605 17.027 -5.673 1.00 26.12 H new ATOM 0 HA SER A 197 -24.089 18.440 -7.843 1.00 24.98 H new ATOM 0 HB2 SER A 197 -21.895 18.734 -6.071 1.00 25.22 H new ATOM 0 HB3 SER A 197 -22.230 19.771 -7.186 1.00 25.22 H new ATOM 0 HG SER A 197 -23.787 19.293 -5.099 1.00 27.96 H new ATOM 1470 N ASN A 198 -22.087 18.197 -9.414 1.00 21.24 N ATOM 1471 CA ASN A 198 -21.004 17.864 -10.381 1.00 21.67 C ATOM 1472 C ASN A 198 -19.906 18.918 -10.343 1.00 16.94 C ATOM 1473 O ASN A 198 -20.091 20.012 -9.827 1.00 21.39 O ATOM 1474 CB ASN A 198 -21.560 17.766 -11.788 1.00 21.07 C ATOM 1475 CG ASN A 198 -22.579 16.651 -11.943 1.00 25.45 C ATOM 1476 OD1 ASN A 198 -22.430 15.519 -11.478 1.00 25.81 O ATOM 1477 ND2 ASN A 198 -23.668 16.991 -12.597 1.00 32.82 N ATOM 0 H ASN A 198 -22.503 18.928 -9.592 1.00 21.24 H new ATOM 0 HA ASN A 198 -20.629 17.007 -10.125 1.00 21.67 H new ATOM 0 HB2 ASN A 198 -21.972 18.611 -12.028 1.00 21.07 H new ATOM 0 HB3 ASN A 198 -20.830 17.620 -12.410 1.00 21.07 H new ATOM 0 HD21 ASN A 198 -24.299 16.417 -12.709 1.00 32.82 H new ATOM 0 HD22 ASN A 198 -23.749 17.787 -12.912 1.00 32.82 H new ATOM 1478 N TYR A 199 -18.732 18.514 -10.847 1.00 18.26 N ATOM 1479 CA TYR A 199 -17.509 19.289 -10.591 1.00 16.45 C ATOM 1480 C TYR A 199 -16.544 19.336 -11.762 1.00 16.99 C ATOM 1481 O TYR A 199 -16.573 18.477 -12.640 1.00 19.07 O ATOM 1482 CB TYR A 199 -16.703 18.677 -9.372 1.00 17.41 C ATOM 1483 CG TYR A 199 -17.540 18.569 -8.118 1.00 18.05 C ATOM 1484 CD1 TYR A 199 -17.692 19.703 -7.278 1.00 18.41 C ATOM 1485 CD2 TYR A 199 -18.228 17.360 -7.845 1.00 20.21 C ATOM 1486 CE1 TYR A 199 -18.455 19.648 -6.092 1.00 20.58 C ATOM 1487 CE2 TYR A 199 -19.032 17.301 -6.675 1.00 18.04 C ATOM 1488 CZ TYR A 199 -19.136 18.423 -5.864 1.00 19.77 C ATOM 1489 OH TYR A 199 -19.859 18.360 -4.695 1.00 24.28 O ATOM 0 H TYR A 199 -18.623 17.810 -11.329 1.00 18.26 H new ATOM 0 HA TYR A 199 -17.827 20.188 -10.412 1.00 16.45 H new ATOM 0 HB2 TYR A 199 -16.375 17.797 -9.615 1.00 17.41 H new ATOM 0 HB3 TYR A 199 -15.926 19.230 -9.192 1.00 17.41 H new ATOM 0 HD1 TYR A 199 -17.279 20.502 -7.515 1.00 18.41 H new ATOM 0 HD2 TYR A 199 -18.155 16.628 -8.414 1.00 20.21 H new ATOM 0 HE1 TYR A 199 -18.508 20.364 -5.501 1.00 20.58 H new ATOM 0 HE2 TYR A 199 -19.484 16.519 -6.455 1.00 18.04 H new ATOM 0 HH TYR A 199 -20.390 17.710 -4.729 1.00 24.28 H new ATOM 1490 N ARG A 200 -15.702 20.395 -11.742 1.00 17.49 N ATOM 1491 CA ARG A 200 -14.561 20.496 -12.652 1.00 17.36 C ATOM 1492 C ARG A 200 -13.265 20.726 -11.846 1.00 17.57 C ATOM 1493 O ARG A 200 -13.255 21.560 -10.948 1.00 19.56 O ATOM 1494 CB ARG A 200 -14.750 21.625 -13.653 1.00 18.48 C ATOM 1495 CG ARG A 200 -13.573 21.763 -14.651 1.00 21.25 C ATOM 1496 CD ARG A 200 -13.832 22.973 -15.533 1.00 22.74 C ATOM 1497 NE ARG A 200 -14.867 22.541 -16.495 1.00 27.83 N ATOM 1498 CZ ARG A 200 -15.998 23.198 -16.701 1.00 31.92 C ATOM 1499 NH1 ARG A 200 -16.251 24.304 -15.996 1.00 33.76 N ATOM 1500 NH2 ARG A 200 -16.890 22.742 -17.603 1.00 30.46 N ATOM 0 H ARG A 200 -15.784 21.061 -11.204 1.00 17.49 H new ATOM 0 HA ARG A 200 -14.496 19.663 -13.144 1.00 17.36 H new ATOM 0 HB2 ARG A 200 -15.570 21.475 -14.149 1.00 18.48 H new ATOM 0 HB3 ARG A 200 -14.858 22.460 -13.172 1.00 18.48 H new ATOM 0 HG2 ARG A 200 -12.735 21.867 -14.173 1.00 21.25 H new ATOM 0 HG3 ARG A 200 -13.493 20.962 -15.192 1.00 21.25 H new ATOM 0 HD2 ARG A 200 -14.136 23.730 -15.008 1.00 22.74 H new ATOM 0 HD3 ARG A 200 -13.023 23.252 -15.991 1.00 22.74 H new ATOM 0 HE ARG A 200 -14.727 21.823 -16.946 1.00 27.83 H new ATOM 0 HH11 ARG A 200 -15.682 24.583 -15.415 1.00 33.76 H new ATOM 0 HH12 ARG A 200 -16.983 24.737 -16.123 1.00 33.76 H new ATOM 0 HH21 ARG A 200 -16.725 22.023 -18.046 1.00 30.46 H new ATOM 0 HH22 ARG A 200 -17.624 23.170 -17.736 1.00 30.46 H new ATOM 1501 N VAL A 201 -12.277 19.913 -12.189 1.00 15.41 N ATOM 1502 CA VAL A 201 -10.920 20.133 -11.615 1.00 17.28 C ATOM 1503 C VAL A 201 -10.056 20.641 -12.780 1.00 16.28 C ATOM 1504 O VAL A 201 -9.967 19.972 -13.816 1.00 17.55 O ATOM 1505 CB VAL A 201 -10.361 18.811 -11.071 1.00 17.93 C ATOM 1506 CG1 VAL A 201 -8.967 19.083 -10.581 1.00 19.95 C ATOM 1507 CG2 VAL A 201 -11.216 18.268 -9.894 1.00 16.01 C ATOM 0 H VAL A 201 -12.348 19.248 -12.730 1.00 15.41 H new ATOM 0 HA VAL A 201 -10.934 20.765 -10.880 1.00 17.28 H new ATOM 0 HB VAL A 201 -10.374 18.143 -11.774 1.00 17.93 H new ATOM 0 HG11 VAL A 201 -8.582 18.265 -10.229 1.00 19.95 H new ATOM 0 HG12 VAL A 201 -8.423 19.406 -11.316 1.00 19.95 H new ATOM 0 HG13 VAL A 201 -8.995 19.754 -9.881 1.00 19.95 H new ATOM 0 HG21 VAL A 201 -10.836 17.434 -9.575 1.00 16.01 H new ATOM 0 HG22 VAL A 201 -11.223 18.916 -9.173 1.00 16.01 H new ATOM 0 HG23 VAL A 201 -12.124 18.113 -10.198 1.00 16.01 H new ATOM 1508 N THR A 202 -9.449 21.810 -12.587 1.00 14.35 N ATOM 1509 CA THR A 202 -8.677 22.394 -13.665 1.00 15.29 C ATOM 1510 C THR A 202 -7.235 22.532 -13.146 1.00 16.24 C ATOM 1511 O THR A 202 -7.021 23.232 -12.135 1.00 17.79 O ATOM 1512 CB THR A 202 -9.139 23.816 -13.983 1.00 16.16 C ATOM 1513 OG1 THR A 202 -10.549 23.796 -14.324 1.00 17.42 O ATOM 1514 CG2 THR A 202 -8.355 24.400 -15.159 1.00 17.27 C ATOM 0 H THR A 202 -9.473 22.266 -11.858 1.00 14.35 H new ATOM 0 HA THR A 202 -8.769 21.837 -14.454 1.00 15.29 H new ATOM 0 HB THR A 202 -8.985 24.368 -13.201 1.00 16.16 H new ATOM 0 HG1 THR A 202 -11.008 23.848 -13.622 1.00 17.42 H new ATOM 0 HG21 THR A 202 -8.666 25.301 -15.340 1.00 17.27 H new ATOM 0 HG22 THR A 202 -7.411 24.423 -14.939 1.00 17.27 H new ATOM 0 HG23 THR A 202 -8.490 23.847 -15.945 1.00 17.27 H new ATOM 1515 N PHE A 203 -6.306 21.912 -13.855 1.00 14.24 N ATOM 1516 CA PHE A 203 -4.887 22.078 -13.539 1.00 14.51 C ATOM 1517 C PHE A 203 -4.382 23.314 -14.187 1.00 15.47 C ATOM 1518 O PHE A 203 -4.761 23.596 -15.319 1.00 15.36 O ATOM 1519 CB PHE A 203 -4.103 20.865 -14.016 1.00 14.06 C ATOM 1520 CG PHE A 203 -4.601 19.567 -13.452 1.00 15.51 C ATOM 1521 CD1 PHE A 203 -4.597 19.348 -12.033 1.00 16.11 C ATOM 1522 CD2 PHE A 203 -5.005 18.543 -14.296 1.00 16.10 C ATOM 1523 CE1 PHE A 203 -5.071 18.096 -11.554 1.00 18.93 C ATOM 1524 CE2 PHE A 203 -5.387 17.287 -13.803 1.00 17.17 C ATOM 1525 CZ PHE A 203 -5.464 17.129 -12.448 1.00 17.76 C ATOM 0 H PHE A 203 -6.469 21.392 -14.521 1.00 14.24 H new ATOM 0 HA PHE A 203 -4.774 22.156 -12.579 1.00 14.51 H new ATOM 0 HB2 PHE A 203 -4.142 20.824 -14.984 1.00 14.06 H new ATOM 0 HB3 PHE A 203 -3.170 20.977 -13.775 1.00 14.06 H new ATOM 0 HD1 PHE A 203 -4.294 20.003 -11.447 1.00 16.11 H new ATOM 0 HD2 PHE A 203 -5.023 18.693 -15.214 1.00 16.10 H new ATOM 0 HE1 PHE A 203 -5.115 17.932 -10.640 1.00 18.93 H new ATOM 0 HE2 PHE A 203 -5.582 16.584 -14.380 1.00 17.17 H new ATOM 0 HZ PHE A 203 -5.799 16.328 -12.114 1.00 17.76 H new ATOM 1526 N CYS A 204 -3.555 24.083 -13.498 1.00 14.44 N ATOM 1527 CA CYS A 204 -3.045 25.392 -13.988 1.00 16.16 C ATOM 1528 C CYS A 204 -4.179 26.349 -14.386 1.00 18.54 C ATOM 1529 O CYS A 204 -4.248 26.775 -15.568 1.00 18.20 O ATOM 1530 CB CYS A 204 -2.051 25.294 -15.164 1.00 16.78 C ATOM 1531 SG CYS A 204 -0.621 24.224 -14.789 1.00 18.21 S ATOM 0 H CYS A 204 -3.260 23.871 -12.719 1.00 14.44 H new ATOM 0 HA CYS A 204 -2.563 25.746 -13.224 1.00 16.16 H new ATOM 0 HB2 CYS A 204 -2.512 24.949 -15.945 1.00 16.78 H new ATOM 0 HB3 CYS A 204 -1.735 26.183 -15.390 1.00 16.78 H new ATOM 1532 N PRO A 205 -5.022 26.720 -13.415 1.00 16.75 N ATOM 1533 CA PRO A 205 -6.233 27.459 -13.834 1.00 19.03 C ATOM 1534 C PRO A 205 -5.935 28.863 -14.335 1.00 23.71 C ATOM 1535 O PRO A 205 -6.718 29.413 -15.071 1.00 24.27 O ATOM 1536 CB PRO A 205 -7.081 27.501 -12.553 1.00 20.43 C ATOM 1537 CG PRO A 205 -6.053 27.423 -11.456 1.00 18.91 C ATOM 1538 CD PRO A 205 -5.064 26.390 -11.960 1.00 17.06 C ATOM 0 HA PRO A 205 -6.674 27.029 -14.584 1.00 19.03 H new ATOM 0 HB2 PRO A 205 -7.604 28.316 -12.496 1.00 20.43 H new ATOM 0 HB3 PRO A 205 -7.705 26.760 -12.512 1.00 20.43 H new ATOM 0 HG2 PRO A 205 -5.626 28.281 -11.306 1.00 18.91 H new ATOM 0 HG3 PRO A 205 -6.451 27.153 -10.614 1.00 18.91 H new ATOM 0 HD2 PRO A 205 -4.195 26.478 -11.539 1.00 17.06 H new ATOM 0 HD3 PRO A 205 -5.367 25.483 -11.798 1.00 17.06 H new ATOM 1539 N THR A 206 -4.817 29.409 -13.910 1.00 22.92 N ATOM 1540 CA THR A 206 -4.490 30.777 -14.305 1.00 34.24 C ATOM 1541 C THR A 206 -3.697 30.818 -15.632 1.00 42.17 C ATOM 1542 O THR A 206 -3.940 31.728 -16.418 1.00 59.46 O ATOM 1543 CB THR A 206 -3.867 31.597 -13.131 1.00 32.12 C ATOM 1544 OG1 THR A 206 -2.707 32.216 -13.634 1.00 52.08 O ATOM 1545 CG2 THR A 206 -3.340 30.720 -12.088 1.00 35.05 C ATOM 0 H THR A 206 -4.240 29.023 -13.403 1.00 22.92 H new ATOM 0 HA THR A 206 -5.319 31.241 -14.503 1.00 34.24 H new ATOM 0 HB THR A 206 -4.550 32.193 -12.787 1.00 32.12 H new ATOM 0 HG1 THR A 206 -2.345 32.669 -13.026 1.00 52.08 H new ATOM 0 HG21 THR A 206 -2.961 31.257 -11.375 1.00 35.05 H new ATOM 0 HG22 THR A 206 -4.057 30.172 -11.733 1.00 35.05 H new ATOM 0 HG23 THR A 206 -2.652 30.148 -12.463 1.00 35.05 H new ATOM 1546 N ALA A 207 -2.821 29.824 -15.888 1.00 52.70 N ATOM 1547 CA ALA A 207 -2.098 29.596 -17.209 1.00 71.51 C ATOM 1548 C ALA A 207 -2.593 30.392 -18.467 1.00 73.21 C ATOM 1549 O ALA A 207 -3.346 29.882 -19.313 1.00 67.92 O ATOM 1550 CB ALA A 207 -1.965 28.094 -17.534 1.00 49.44 C ATOM 0 H ALA A 207 -2.613 29.238 -15.294 1.00 52.70 H new ATOM 0 HA ALA A 207 -1.229 29.987 -17.030 1.00 71.51 H new ATOM 0 HB1 ALA A 207 -1.501 27.985 -18.379 1.00 49.44 H new ATOM 0 HB2 ALA A 207 -1.462 27.654 -16.831 1.00 49.44 H new ATOM 0 HB3 ALA A 207 -2.848 27.697 -17.597 1.00 49.44 H new TER 1551 ALA A 207 HETATM 1552 O1 TLA A 301 -8.895 16.815 -26.847 1.00 35.74 O HETATM 1553 O11 TLA A 301 -10.420 17.485 -25.111 1.00 34.09 O HETATM 1554 C1 TLA A 301 -9.937 16.643 -26.090 1.00 35.74 C HETATM 1555 C2 TLA A 301 -10.572 15.281 -26.032 1.00 29.59 C HETATM 1556 O2 TLA A 301 -12.027 15.243 -25.731 1.00 43.96 O HETATM 1557 C3 TLA A 301 -9.620 14.157 -25.663 1.00 33.27 C HETATM 1558 O3 TLA A 301 -8.831 14.464 -24.472 1.00 35.42 O HETATM 1559 C4 TLA A 301 -9.837 12.689 -25.973 1.00 46.67 C HETATM 1560 O4 TLA A 301 -9.921 12.273 -27.182 1.00 49.69 O HETATM 1561 O41 TLA A 301 -10.148 11.962 -24.842 1.00 47.29 O HETATM 0 HB TLA A 301 -9.345 14.594 -23.821 1.00 35.42 H new HETATM 0 HA TLA A 301 -12.291 14.445 -25.721 1.00 43.96 H new HETATM 0 H41 TLA A 301 -10.406 11.194 -25.064 1.00 47.29 H new HETATM 0 H2 TLA A 301 -10.728 14.970 -26.937 1.00 29.59 H new HETATM 0 H11 TLA A 301 -11.193 17.242 -24.888 1.00 34.09 H new HETATM 1562 O1 TLA A 302 16.763 18.224 11.496 1.00 43.38 O HETATM 1563 O11 TLA A 302 17.073 18.009 13.880 1.00 47.64 O HETATM 1564 C1 TLA A 302 16.391 18.236 12.827 1.00 49.07 C HETATM 1565 C2 TLA A 302 15.008 18.643 13.513 1.00 53.54 C HETATM 1566 O2 TLA A 302 14.683 19.865 14.259 1.00 35.42 O HETATM 1567 C3 TLA A 302 13.621 18.253 12.989 1.00 41.10 C HETATM 1568 O3 TLA A 302 13.552 16.822 13.137 1.00 39.39 O HETATM 1569 C4 TLA A 302 12.393 19.209 12.589 1.00 35.20 C HETATM 1570 O4 TLA A 302 12.220 20.219 11.650 1.00 34.31 O HETATM 1571 O41 TLA A 302 11.543 18.810 13.475 1.00 37.50 O HETATM 0 HB TLA A 302 12.806 16.548 12.865 1.00 39.39 H new HETATM 0 HA TLA A 302 15.353 20.110 14.702 1.00 35.42 H new HETATM 1572 O HOH A 401 -8.244 12.974 -28.661 1.00 32.02 O HETATM 1573 O HOH A 402 9.280 18.521 14.018 1.00 17.99 O HETATM 1574 O HOH A 403 -7.352 15.500 -28.041 1.00 19.39 O HETATM 1575 O HOH A 404 -21.766 14.506 -6.098 1.00 28.90 O HETATM 1576 O HOH A 405 2.983 24.884 -13.223 1.00 38.54 O HETATM 1577 O HOH A 406 8.171 16.746 -12.584 1.00 33.58 O HETATM 1578 O HOH A 407 -4.943 15.581 2.565 1.00 28.44 O HETATM 1579 O HOH A 408 1.502 15.032 16.891 1.00 31.33 O HETATM 1580 O HOH A 409 7.277 12.418 -19.687 1.00 35.24 O HETATM 1581 O HOH A 410 1.831 20.871 4.296 1.00 22.66 O HETATM 1582 O HOH A 411 -12.246 23.970 -12.073 1.00 21.24 O HETATM 1583 O HOH A 412 -3.942 12.232 -24.345 1.00 34.90 O HETATM 1584 O HOH A 413 -16.836 20.562 -21.560 1.00 24.08 O HETATM 1585 O HOH A 414 4.383 26.404 -8.681 1.00 26.21 O HETATM 1586 O HOH A 415 -8.020 27.491 7.311 1.00 35.11 O HETATM 1587 O HOH A 416 4.797 16.466 -17.105 1.00 23.09 O HETATM 1588 O HOH A 417 -5.067 19.822 -26.805 1.00 20.16 O HETATM 1589 O HOH A 418 -3.902 27.731 9.978 1.00 43.74 O HETATM 1590 O HOH A 419 -1.876 17.313 -8.326 1.00 17.69 O HETATM 1591 O HOH A 420 -10.214 23.636 0.509 1.00 22.99 O HETATM 1592 O HOH A 421 7.342 11.893 -5.950 1.00 22.66 O HETATM 1593 O HOH A 422 -8.398 19.862 10.257 1.00 36.67 O HETATM 1594 O HOH A 423 -26.710 11.334 1.444 1.00 34.45 O HETATM 1595 O HOH A 424 -5.824 29.372 -1.702 1.00 24.41 O HETATM 1596 O HOH A 425 9.508 14.453 -6.976 1.00 35.02 O HETATM 1597 O HOH A 426 -1.484 17.549 -0.682 1.00 16.43 O HETATM 1598 O HOH A 427 3.233 27.088 16.128 1.00 21.24 O HETATM 1599 O HOH A 428 -6.821 5.290 -19.170 1.00 35.51 O HETATM 1600 O HOH A 429 -0.861 11.792 -2.557 1.00 25.03 O HETATM 1601 O HOH A 430 2.016 14.288 4.873 1.00 31.16 O HETATM 1602 O HOH A 431 2.703 32.953 -6.466 1.00 39.62 O HETATM 1603 O HOH A 432 5.100 16.572 18.690 1.00 25.34 O HETATM 1604 O HOH A 433 -13.408 21.462 -20.862 1.00 21.92 O HETATM 1605 O HOH A 434 -0.260 26.557 8.731 1.00 19.20 O HETATM 1606 O HOH A 435 -22.860 11.847 -6.244 1.00 24.93 O HETATM 1607 O HOH A 436 1.943 6.228 -11.540 1.00 22.02 O HETATM 1608 O HOH A 437 3.383 21.107 9.830 1.00 17.81 O HETATM 1609 O HOH A 438 -9.581 -0.441 -8.978 1.00 40.04 O HETATM 1610 O HOH A 439 -7.608 24.545 5.718 1.00 44.45 O HETATM 1611 O HOH A 440 1.871 20.286 12.053 1.00 17.62 O HETATM 1612 O HOH A 441 -10.498 12.428 0.106 1.00 27.27 O HETATM 1613 O HOH A 442 -2.940 10.684 -4.100 1.00 25.98 O HETATM 1614 O HOH A 443 0.813 18.863 -23.943 1.00 25.95 O HETATM 1615 O HOH A 444 6.755 30.369 7.095 1.00 25.33 O HETATM 1616 O HOH A 445 -3.642 7.853 -21.384 1.00 25.66 O HETATM 1617 O HOH A 446 0.240 18.257 10.504 1.00 31.82 O HETATM 1618 O HOH A 447 12.786 17.894 0.199 1.00 33.63 O HETATM 1619 O HOH A 448 4.282 23.341 15.944 1.00 20.85 O HETATM 1620 O HOH A 449 -1.978 2.139 -8.230 1.00 28.82 O HETATM 1621 O HOH A 450 1.561 25.956 -17.531 1.00 28.23 O HETATM 1622 O HOH A 451 1.598 18.126 6.038 1.00 31.32 O HETATM 1623 O HOH A 452 -4.867 30.584 -5.397 1.00 35.29 O HETATM 1624 O HOH A 453 -5.396 31.494 -11.567 1.00 48.95 O HETATM 1625 O HOH A 454 0.715 31.648 7.073 1.00 29.72 O HETATM 1626 O HOH A 455 6.392 10.061 -7.962 1.00 20.89 O HETATM 1627 O HOH A 456 4.373 21.161 5.518 1.00 19.41 O HETATM 1628 O HOH A 457 -12.761 13.528 1.592 1.00 30.79 O HETATM 1629 O HOH A 458 -2.237 25.560 2.152 1.00 19.17 O HETATM 1630 O HOH A 459 -13.327 12.032 -21.558 1.00 42.06 O HETATM 1631 O HOH A 460 14.610 25.497 3.968 1.00 35.20 O HETATM 1632 O HOH A 461 -13.579 16.392 1.394 1.00 34.72 O HETATM 1633 O HOH A 462 -2.088 0.885 -15.623 1.00 32.74 O HETATM 1634 O HOH A 463 4.961 18.219 -21.641 1.00 34.93 O HETATM 1635 O HOH A 464 -2.217 28.281 -12.743 1.00 27.94 O HETATM 1636 O HOH A 465 -3.467 4.183 -1.154 1.00 29.80 O HETATM 1637 O HOH A 466 -27.546 12.793 -1.336 1.00 38.60 O HETATM 1638 O HOH A 467 0.193 27.874 -14.009 1.00 48.66 O HETATM 1639 O HOH A 468 -2.588 10.996 -0.587 1.00 37.92 O CONECT 72 1531 CONECT 415 488 CONECT 488 415 CONECT 522 563 CONECT 563 522 CONECT 913 1446 CONECT 952 1324 CONECT 1004 1072 CONECT 1072 1004 CONECT 1099 1173 CONECT 1173 1099 CONECT 1179 1212 CONECT 1212 1179 CONECT 1324 952 CONECT 1446 913 CONECT 1531 72 CONECT 1552 1554 CONECT 1553 1554 CONECT 1554 1552 1553 1555 CONECT 1555 1554 1556 1557 CONECT 1556 1555 CONECT 1557 1555 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1561 CONECT 1560 1559 CONECT 1561 1559 CONECT 1562 1564 CONECT 1563 1564 CONECT 1564 1562 1563 1565 CONECT 1565 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 1568 1569 CONECT 1568 1567 CONECT 1569 1567 1570 1571 CONECT 1570 1569 CONECT 1571 1569 END