USER MOD reduce.3.24.130724 H: found=0, std=0, add=1482, rem=0, adj=56 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PLANT PROTEIN 08-JUL-16 5LH1 TITLE LOW DOSE THAUMATIN - 360-400 MS. COMPND MOL_ID: 1; COMPND 2 MOLECULE: THAUMATIN-1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: THAUMATIN I; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; SOURCE 3 ORGANISM_COMMON: KATEMFE; SOURCE 4 ORGANISM_TAXID: 4621; SOURCE 5 EXPRESSION_SYSTEM: THAUMATOCOCCUS DANIELLII; SOURCE 6 EXPRESSION_SYSTEM_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 5LH1 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. 1.90 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) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.93 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 92.4 REMARK 3 NUMBER OF REFLECTIONS : 19471 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) : 0.182 REMARK 3 R VALUE (WORKING SET) : 0.181 REMARK 3 FREE R VALUE : 0.228 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.200 REMARK 3 FREE R VALUE TEST SET COUNT : 432 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) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.95 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1409 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.11 REMARK 3 BIN R VALUE (WORKING SET) : 0.2450 REMARK 3 BIN FREE R VALUE SET COUNT : 37 REMARK 3 BIN FREE R VALUE : 0.2860 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 : 44 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 26.92 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.31 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): 0.125 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.129 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.089 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.128 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.961 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.938 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1612 ; 0.021 ; 0.020 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2189 ; 2.115 ; 1.958 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 206 ; 7.105 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 66 ;41.338 ;23.030 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 241 ;15.703 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;18.294 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 234 ; 0.156 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1243 ; 0.011 ; 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 ; 2.409 ; 2.226 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1032 ; 3.505 ; 3.321 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 785 ; 4.783 ; 2.724 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 5LH1 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_1200000720. 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 : 19471 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 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 (%) : 92.5 REMARK 200 DATA REDUNDANCY : 3.190 REMARK 200 R MERGE (I) : 0.15400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 6.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.52100 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 (%): 57.72 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 75.76500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 29.21500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 29.21500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.88250 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 29.21500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 29.21500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 113.64750 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 29.21500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 29.21500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 37.88250 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 29.21500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 29.21500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 113.64750 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 75.76500 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: 320 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9800 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1.0 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 O SER A 36 O2 TLA A 302 2.03 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 O41 TLA A 301 C4 TLA A 302 3555 0.91 REMARK 500 O3 TLA A 301 O3 TLA A 302 3555 1.21 REMARK 500 O4 TLA A 301 O4 TLA A 302 3555 1.24 REMARK 500 O41 TLA A 301 O41 TLA A 302 3555 1.35 REMARK 500 O41 TLA A 301 O4 TLA A 302 3555 1.53 REMARK 500 C1 TLA A 301 O1 TLA A 302 3555 1.56 REMARK 500 O11 TLA A 301 O1 TLA A 302 3555 1.64 REMARK 500 O2 TLA A 301 O2 TLA A 302 3555 1.76 REMARK 500 C2 TLA A 301 C2 TLA A 302 3555 1.91 REMARK 500 C4 TLA A 301 C3 TLA A 302 3555 2.00 REMARK 500 O11 TLA A 301 C1 TLA A 302 3555 2.04 REMARK 500 O41 TLA A 301 C3 TLA A 302 3555 2.07 REMARK 500 O1 TLA A 301 O1 TLA A 302 3555 2.08 REMARK 500 O2 TLA A 301 C3 TLA A 302 3555 2.18 REMARK 500 C2 TLA A 301 C3 TLA A 302 3555 2.19 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 0.091 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. = -3.6 DEGREES REMARK 500 ASP A 59 CB - CG - OD1 ANGL. DEV. = 5.5 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 -137.94 56.87 REMARK 500 CYS A 71 76.46 -117.01 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 DBREF 5LH1 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 *44(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 6 ALA A 23 LEU A 31 0 SHEET 2 AA2 6 VAL A 13 SER A 18 -1 N VAL A 13 O LEU A 31 SHEET 3 AA2 6 GLY A 48 PHE A 58 -1 O LYS A 49 N SER A 18 SHEET 4 AA2 6 LEU A 87 GLN A 94 -1 O ALA A 88 N ILE A 50 SHEET 5 AA2 6 LYS A 97 SER A 103 -1 O LYS A 97 N GLN A 94 SHEET 6 AA2 6 ALA A 180 PHE A 181 1 O PHE A 181 N ILE A 102 SHEET 1 AA3 5 GLY A 64 THR A 68 0 SHEET 2 AA3 5 GLY A 48 PHE A 58 -1 N TYR A 57 O ILE A 65 SHEET 3 AA3 5 LEU A 87 GLN A 94 -1 O ALA A 88 N ILE A 50 SHEET 4 AA3 5 LYS A 97 SER A 103 -1 O LYS A 97 N GLN A 94 SHEET 5 AA3 5 VAL A 191 PRO A 194 -1 O CYS A 193 N ASP A 98 SSBOND *** CYS A 9 CYS A 204 1555 1555 1.97 SSBOND *** CYS A 56 CYS A 66 1555 1555 2.04 SSBOND *** CYS A 71 CYS A 77 1555 1555 2.00 SSBOND *** CYS A 121 CYS A 193 1555 1555 2.03 SSBOND *** CYS A 126 CYS A 177 1555 1555 2.03 SSBOND *** CYS A 134 CYS A 145 1555 1555 2.02 SSBOND *** CYS A 149 CYS A 158 1555 1555 2.05 SSBOND *** CYS A 159 CYS A 164 1555 1555 2.02 LINK O2 TLA A 301 C2 TLA A 302 1555 3555 1.22 LINK C3 TLA A 301 C3 TLA A 302 1555 3555 1.57 LINK O3 TLA A 301 C3 TLA A 302 1555 3555 1.33 LINK C4 TLA A 301 C4 TLA A 302 1555 3555 1.41 LINK C4 TLA A 301 O4 TLA A 302 1555 3555 1.18 CISPEP 1 PRO A 83 PRO A 84 0 7.64 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 405 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 405 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 405 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 405 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 405 CRYST1 58.430 58.430 151.530 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 0.017114 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017114 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006599 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 H41 : A 301 TLA O41 : A 301 TLA C4 :(short bond) USER MOD NoAdj-H: A 301 TLA H11 : A 301 TLA O11 : A 301 TLA C1 :(short bond) 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 H11 : A 302 TLA O11 : A 302 TLA C1 :(short bond) USER MOD Set 1.1: A 93 ASN :FLIP amide:sc= 1.09 F(o=-5.2!,f=1.2) USER MOD Set 1.2: A 196 SER OG : rot 180:sc= 0.128 USER MOD Set 2.1: A 167 THR OG1 : rot -116:sc= 1.18 USER MOD Set 2.2: A 170 SER OG : rot 78:sc= 1.94 USER MOD Set 3.1: A 155 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 160 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 113 ASN : amide:sc= 2.45 K(o=3.4,f=-3.6!) USER MOD Set 4.2: A 115 SER OG : rot 15:sc= 0.956 USER MOD Set 5.1: A 46 ASN : amide:sc= -0.104 K(o=-0.14,f=-2.4) USER MOD Set 5.2: A 94 GLN : amide:sc= -0.0364 K(o=-0.14,f=-0.69) USER MOD Set 6.1: A 54 THR OG1 : rot 121:sc= 2.21 USER MOD Set 6.2: A 68 THR OG1 : rot -90:sc= 1.4 USER MOD Set 6.3: A 86 THR OG1 : rot 168:sc= 0.766 USER MOD Set 6.4: A 109 ASN :FLIP amide:sc= 1.49 F(o=-0.44!,f=5.9) USER MOD Set 7.1: A 12 THR OG1 : rot -111:sc= 0.142 USER MOD Set 7.2: A 30 GLN : amide:sc= 0.346 K(o=0.95,f=-0.21) USER MOD Set 7.3: A 32 ASN :FLIP amide:sc= 0.462 F(o=-0.21,f=0.95) USER MOD Single : A 1 ALA N :NH3+ 174:sc= 1.16 (180deg=1.13) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.989 K(o=0.99,f=-5.6!) USER MOD Single : A 10 SER OG : rot -106:sc= 0.0404 USER MOD Single : A 11 TYR OH : rot -106:sc= 0.0208 USER MOD Single : A 18 SER OG : rot 31:sc= 0.525 USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0.733 (180deg=0.706) USER MOD Single : A 33 SER OG : rot 78:sc= 0.696 USER MOD Single : A 36 SER OG : rot -154:sc= 2.31 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 90:sc= 1.38 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 1.07 (180deg=1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -36:sc= 1.02 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 122:sc= -0.09 (180deg=-0.245) USER MOD Single : A 85 THR OG1 : rot 41:sc= 2.16 USER MOD Single : A 91 SER OG : rot 180:sc= 0.341 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 -161:sc= 1.48 USER MOD Single : A 104 ASN : amide:sc= -0.052 X(o=-0.052,f=0.14) USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= 0.0346 (180deg=0.0164) USER MOD Single : A 112 MET CE :methyl -136:sc= -0.205 (180deg=-1.3) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 130:sc= 0.122 USER MOD Single : A 133 GLN : amide:sc= -0.505 K(o=-0.51,f=-2.3!) 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= -0.0725 X(o=-0.072,f=0.062) USER MOD Single : A 150 THR OG1 : rot 118:sc= 1.29 USER MOD Single : A 153 GLN : amide:sc= 0.599 K(o=0.6,f=0) USER MOD Single : A 154 THR OG1 : rot -103:sc= 0.738 USER MOD Single : A 157 TYR OH : rot -161:sc= 1.27 USER MOD Single : A 161 THR OG1 : rot -66:sc= 0.458 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 TYR OH : rot 170:sc= 1.28 USER MOD Single : A 174 LYS NZ :NH3+ 159:sc= 0.697 (180deg=0.49) USER MOD Single : A 182 SER OG : rot -62:sc= 2.04 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 156:sc= 0.406 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot -65:sc= 0.225 USER MOD Single : A 197 SER OG : rot 66:sc= 1.19 USER MOD Single : A 198 ASN : amide:sc= 0.855 K(o=0.86,f=-3.5!) USER MOD Single : A 199 TYR OH : rot 161:sc= 0.422 USER MOD Single : A 202 THR OG1 : rot 85:sc= 0.794 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 301 TLA O2 : rot 6:sc= 0.0187 USER MOD Single : A 301 TLA O3 : rot 124:sc= 0.209 USER MOD Single : A 302 TLA O2 : rot -76:sc= 0.314! USER MOD Single : A 302 TLA O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.730 11.006 -9.734 1.00 27.18 N ATOM 2 CA ALA A 1 -21.463 12.469 -10.019 1.00 27.62 C ATOM 3 C ALA A 1 -20.451 12.462 -11.157 1.00 28.39 C ATOM 4 O ALA A 1 -19.691 11.492 -11.314 1.00 26.46 O ATOM 5 CB ALA A 1 -20.859 13.171 -8.841 1.00 29.09 C ATOM 0 H1 ALA A 1 -22.251 10.933 -9.016 1.00 27.18 H new ATOM 0 H2 ALA A 1 -22.136 10.636 -10.434 1.00 27.18 H new ATOM 0 H3 ALA A 1 -20.959 10.587 -9.584 1.00 27.18 H new ATOM 0 HA ALA A 1 -22.288 12.934 -10.229 1.00 27.62 H new ATOM 0 HB1 ALA A 1 -20.704 14.102 -9.064 1.00 29.09 H new ATOM 0 HB2 ALA A 1 -21.465 13.116 -8.086 1.00 29.09 H new ATOM 0 HB3 ALA A 1 -20.016 12.750 -8.610 1.00 29.09 H new ATOM 6 N THR A 2 -20.474 13.504 -11.980 1.00 27.05 N ATOM 7 CA THR A 2 -19.496 13.600 -13.059 1.00 26.10 C ATOM 8 C THR A 2 -18.446 14.680 -12.671 1.00 21.79 C ATOM 9 O THR A 2 -18.759 15.735 -12.127 1.00 21.12 O ATOM 10 CB THR A 2 -20.104 13.887 -14.462 1.00 30.35 C ATOM 11 OG1 THR A 2 -20.369 15.259 -14.537 1.00 38.54 O ATOM 12 CG2 THR A 2 -21.415 13.218 -14.637 1.00 30.50 C ATOM 0 H THR A 2 -21.035 14.154 -11.934 1.00 27.05 H new ATOM 0 HA THR A 2 -19.082 12.728 -13.152 1.00 26.10 H new ATOM 0 HB THR A 2 -19.477 13.571 -15.132 1.00 30.35 H new ATOM 0 HG1 THR A 2 -20.698 15.440 -15.288 1.00 38.54 H new ATOM 0 HG21 THR A 2 -21.765 13.417 -15.520 1.00 30.50 H new ATOM 0 HG22 THR A 2 -21.304 12.259 -14.542 1.00 30.50 H new ATOM 0 HG23 THR A 2 -22.035 13.539 -13.964 1.00 30.50 H new ATOM 13 N PHE A 3 -17.210 14.378 -12.959 1.00 20.68 N ATOM 14 CA PHE A 3 -16.117 15.339 -12.767 1.00 18.98 C ATOM 15 C PHE A 3 -15.480 15.566 -14.148 1.00 17.66 C ATOM 16 O PHE A 3 -15.102 14.582 -14.828 1.00 20.83 O ATOM 17 CB PHE A 3 -15.042 14.729 -11.955 1.00 17.41 C ATOM 18 CG PHE A 3 -15.345 14.697 -10.485 1.00 22.08 C ATOM 19 CD1 PHE A 3 -16.297 13.805 -9.970 1.00 19.93 C ATOM 20 CD2 PHE A 3 -14.675 15.564 -9.608 1.00 21.83 C ATOM 21 CE1 PHE A 3 -16.553 13.763 -8.582 1.00 24.10 C ATOM 22 CE2 PHE A 3 -14.970 15.535 -8.234 1.00 21.67 C ATOM 23 CZ PHE A 3 -15.907 14.653 -7.740 1.00 19.81 C ATOM 0 H PHE A 3 -16.962 13.616 -13.272 1.00 20.68 H new ATOM 0 HA PHE A 3 -16.463 16.142 -12.348 1.00 18.98 H new ATOM 0 HB2 PHE A 3 -14.887 13.823 -12.265 1.00 17.41 H new ATOM 0 HB3 PHE A 3 -14.219 15.223 -12.097 1.00 17.41 H new ATOM 0 HD1 PHE A 3 -16.761 13.240 -10.544 1.00 19.93 H new ATOM 0 HD2 PHE A 3 -14.037 16.156 -9.935 1.00 21.83 H new ATOM 0 HE1 PHE A 3 -17.152 13.142 -8.235 1.00 24.10 H new ATOM 0 HE2 PHE A 3 -14.530 16.115 -7.655 1.00 21.67 H new ATOM 0 HZ PHE A 3 -16.108 14.656 -6.832 1.00 19.81 H new ATOM 24 N GLU A 4 -15.323 16.805 -14.537 1.00 16.72 N ATOM 25 CA GLU A 4 -14.577 17.057 -15.786 1.00 17.95 C ATOM 26 C GLU A 4 -13.184 17.483 -15.332 1.00 19.52 C ATOM 27 O GLU A 4 -13.067 18.413 -14.555 1.00 20.62 O ATOM 28 CB GLU A 4 -15.198 18.160 -16.617 1.00 19.38 C ATOM 29 CG GLU A 4 -14.335 18.438 -17.857 1.00 23.56 C ATOM 30 CD GLU A 4 -15.019 19.400 -18.833 1.00 25.90 C ATOM 31 OE1 GLU A 4 -15.269 20.531 -18.475 1.00 28.05 O ATOM 32 OE2 GLU A 4 -15.237 19.019 -20.009 1.00 30.67 O ATOM 0 H GLU A 4 -15.618 17.501 -14.127 1.00 16.72 H new ATOM 0 HA GLU A 4 -14.575 16.266 -16.348 1.00 17.95 H new ATOM 0 HB2 GLU A 4 -16.094 17.905 -16.888 1.00 19.38 H new ATOM 0 HB3 GLU A 4 -15.282 18.967 -16.085 1.00 19.38 H new ATOM 0 HG2 GLU A 4 -13.484 18.812 -17.580 1.00 23.56 H new ATOM 0 HG3 GLU A 4 -14.143 17.602 -18.310 1.00 23.56 H new ATOM 33 N ILE A 5 -12.154 16.789 -15.793 1.00 17.53 N ATOM 34 CA ILE A 5 -10.777 17.106 -15.376 1.00 16.83 C ATOM 35 C ILE A 5 -10.087 17.755 -16.621 1.00 17.82 C ATOM 36 O ILE A 5 -9.870 17.098 -17.676 1.00 18.70 O ATOM 37 CB ILE A 5 -10.040 15.828 -14.897 1.00 18.31 C ATOM 38 CG1 ILE A 5 -10.771 15.134 -13.689 1.00 18.52 C ATOM 39 CG2 ILE A 5 -8.575 16.147 -14.504 1.00 18.87 C ATOM 40 CD1 ILE A 5 -10.189 13.728 -13.380 1.00 20.73 C ATOM 0 H ILE A 5 -12.220 16.133 -16.345 1.00 17.53 H new ATOM 0 HA ILE A 5 -10.759 17.717 -14.623 1.00 16.83 H new ATOM 0 HB ILE A 5 -10.046 15.210 -15.645 1.00 18.31 H new ATOM 0 HG12 ILE A 5 -10.694 15.695 -12.901 1.00 18.52 H new ATOM 0 HG13 ILE A 5 -11.717 15.054 -13.888 1.00 18.52 H new ATOM 0 HG21 ILE A 5 -8.135 15.335 -14.208 1.00 18.87 H new ATOM 0 HG22 ILE A 5 -8.105 16.508 -15.272 1.00 18.87 H new ATOM 0 HG23 ILE A 5 -8.567 16.798 -13.785 1.00 18.87 H new ATOM 0 HD11 ILE A 5 -10.666 13.337 -12.632 1.00 20.73 H new ATOM 0 HD12 ILE A 5 -10.288 13.158 -14.159 1.00 20.73 H new ATOM 0 HD13 ILE A 5 -9.249 13.809 -13.156 1.00 20.73 H new ATOM 41 N VAL A 6 -9.638 18.988 -16.431 1.00 15.30 N ATOM 42 CA VAL A 6 -9.119 19.819 -17.539 1.00 15.54 C ATOM 43 C VAL A 6 -7.638 20.164 -17.271 1.00 14.15 C ATOM 44 O VAL A 6 -7.318 20.664 -16.201 1.00 15.34 O ATOM 45 CB VAL A 6 -9.931 21.107 -17.703 1.00 17.48 C ATOM 46 CG1 VAL A 6 -9.329 22.028 -18.848 1.00 15.62 C ATOM 47 CG2 VAL A 6 -11.403 20.750 -17.939 1.00 18.33 C ATOM 0 H VAL A 6 -9.621 19.375 -15.663 1.00 15.30 H new ATOM 0 HA VAL A 6 -9.198 19.312 -18.362 1.00 15.54 H new ATOM 0 HB VAL A 6 -9.877 21.631 -16.888 1.00 17.48 H new ATOM 0 HG11 VAL A 6 -9.862 22.834 -18.929 1.00 15.62 H new ATOM 0 HG12 VAL A 6 -8.415 22.266 -18.625 1.00 15.62 H new ATOM 0 HG13 VAL A 6 -9.341 21.547 -19.690 1.00 15.62 H new ATOM 0 HG21 VAL A 6 -11.921 21.564 -18.043 1.00 18.33 H new ATOM 0 HG22 VAL A 6 -11.481 20.212 -18.743 1.00 18.33 H new ATOM 0 HG23 VAL A 6 -11.740 20.248 -17.181 1.00 18.33 H new ATOM 48 N ASN A 7 -6.762 19.875 -18.249 1.00 12.85 N ATOM 49 CA ASN A 7 -5.382 20.286 -18.104 1.00 13.91 C ATOM 50 C ASN A 7 -5.203 21.629 -18.846 1.00 13.55 C ATOM 51 O ASN A 7 -5.158 21.608 -20.081 1.00 16.06 O ATOM 52 CB ASN A 7 -4.432 19.260 -18.730 1.00 14.62 C ATOM 53 CG ASN A 7 -2.989 19.704 -18.550 1.00 16.00 C ATOM 54 OD1 ASN A 7 -2.738 20.532 -17.670 1.00 15.09 O ATOM 55 ND2 ASN A 7 -2.079 19.193 -19.326 1.00 15.36 N ATOM 0 H ASN A 7 -6.950 19.456 -18.976 1.00 12.85 H new ATOM 0 HA ASN A 7 -5.174 20.366 -17.160 1.00 13.91 H new ATOM 0 HB2 ASN A 7 -4.565 18.392 -18.317 1.00 14.62 H new ATOM 0 HB3 ASN A 7 -4.631 19.158 -19.674 1.00 14.62 H new ATOM 0 HD21 ASN A 7 -1.257 19.430 -19.238 1.00 15.36 H new ATOM 0 HD22 ASN A 7 -2.299 18.618 -19.927 1.00 15.36 H new ATOM 56 N ARG A 8 -5.182 22.756 -18.125 1.00 12.86 N ATOM 57 CA ARG A 8 -4.840 24.024 -18.711 1.00 15.10 C ATOM 58 C ARG A 8 -3.323 24.336 -18.652 1.00 15.71 C ATOM 59 O ARG A 8 -2.910 25.391 -19.115 1.00 16.36 O ATOM 60 CB ARG A 8 -5.725 25.107 -18.085 1.00 14.47 C ATOM 61 CG ARG A 8 -5.718 26.459 -18.822 1.00 15.96 C ATOM 62 CD ARG A 8 -6.686 27.462 -18.202 1.00 17.32 C ATOM 63 NE ARG A 8 -8.052 27.035 -18.392 1.00 18.56 N ATOM 64 CZ ARG A 8 -9.086 27.344 -17.608 1.00 25.33 C ATOM 65 NH1 ARG A 8 -8.918 28.121 -16.515 1.00 22.74 N ATOM 66 NH2 ARG A 8 -10.307 26.850 -17.914 1.00 21.51 N ATOM 0 H ARG A 8 -5.367 22.792 -17.286 1.00 12.86 H new ATOM 0 HA ARG A 8 -5.022 23.995 -19.663 1.00 15.10 H new ATOM 0 HB2 ARG A 8 -6.637 24.779 -18.048 1.00 14.47 H new ATOM 0 HB3 ARG A 8 -5.438 25.251 -17.170 1.00 14.47 H new ATOM 0 HG2 ARG A 8 -4.821 26.828 -18.808 1.00 15.96 H new ATOM 0 HG3 ARG A 8 -5.953 26.319 -19.753 1.00 15.96 H new ATOM 0 HD2 ARG A 8 -6.500 27.555 -17.255 1.00 17.32 H new ATOM 0 HD3 ARG A 8 -6.556 28.335 -18.604 1.00 17.32 H new ATOM 0 HE ARG A 8 -8.214 26.536 -19.073 1.00 18.56 H new ATOM 0 HH11 ARG A 8 -8.137 28.423 -16.318 1.00 22.74 H new ATOM 0 HH12 ARG A 8 -9.592 28.314 -16.017 1.00 22.74 H new ATOM 0 HH21 ARG A 8 -10.406 26.346 -18.604 1.00 21.51 H new ATOM 0 HH22 ARG A 8 -10.984 27.040 -17.419 1.00 21.51 H new ATOM 67 N CYS A 9 -2.481 23.430 -18.134 1.00 16.61 N ATOM 68 CA CYS A 9 -1.052 23.690 -18.083 1.00 15.27 C ATOM 69 C CYS A 9 -0.483 23.669 -19.490 1.00 16.06 C ATOM 70 O CYS A 9 -1.052 23.025 -20.377 1.00 17.28 O ATOM 71 CB CYS A 9 -0.350 22.609 -17.305 1.00 16.66 C ATOM 72 SG CYS A 9 -1.003 22.456 -15.610 1.00 17.20 S ATOM 0 H CYS A 9 -2.722 22.670 -17.813 1.00 16.61 H new ATOM 0 HA CYS A 9 -0.917 24.553 -17.661 1.00 15.27 H new ATOM 0 HB2 CYS A 9 -0.450 21.762 -17.767 1.00 16.66 H new ATOM 0 HB3 CYS A 9 0.600 22.802 -17.269 1.00 16.66 H new ATOM 73 N SER A 10 0.696 24.260 -19.668 1.00 17.40 N ATOM 74 CA SER A 10 1.343 24.144 -20.993 1.00 20.02 C ATOM 75 C SER A 10 2.081 22.855 -21.191 1.00 21.75 C ATOM 76 O SER A 10 2.557 22.598 -22.310 1.00 25.43 O ATOM 77 CB SER A 10 2.281 25.337 -21.255 1.00 21.53 C ATOM 78 OG SER A 10 3.254 25.274 -20.241 1.00 24.38 O ATOM 0 H SER A 10 1.126 24.711 -19.076 1.00 17.40 H new ATOM 0 HA SER A 10 0.620 24.152 -21.639 1.00 20.02 H new ATOM 0 HB2 SER A 10 2.687 25.277 -22.134 1.00 21.53 H new ATOM 0 HB3 SER A 10 1.796 26.177 -21.223 1.00 21.53 H new ATOM 0 HG SER A 10 3.111 25.880 -19.677 1.00 24.38 H new ATOM 79 N TYR A 11 2.131 21.990 -20.179 1.00 19.68 N ATOM 80 CA TYR A 11 2.780 20.689 -20.317 1.00 18.77 C ATOM 81 C TYR A 11 1.774 19.523 -20.084 1.00 17.98 C ATOM 82 O TYR A 11 0.718 19.720 -19.490 1.00 19.12 O ATOM 83 CB TYR A 11 3.962 20.667 -19.277 1.00 20.34 C ATOM 84 CG TYR A 11 3.583 21.157 -17.876 1.00 20.16 C ATOM 85 CD1 TYR A 11 3.053 20.271 -16.918 1.00 23.00 C ATOM 86 CD2 TYR A 11 3.712 22.499 -17.511 1.00 19.82 C ATOM 87 CE1 TYR A 11 2.647 20.717 -15.664 1.00 24.20 C ATOM 88 CE2 TYR A 11 3.371 22.953 -16.229 1.00 22.84 C ATOM 89 CZ TYR A 11 2.821 22.038 -15.287 1.00 22.56 C ATOM 90 OH TYR A 11 2.412 22.395 -13.973 1.00 20.14 O ATOM 0 H TYR A 11 1.794 22.139 -19.402 1.00 19.68 H new ATOM 0 HA TYR A 11 3.118 20.561 -21.217 1.00 18.77 H new ATOM 0 HB2 TYR A 11 4.302 19.761 -19.210 1.00 20.34 H new ATOM 0 HB3 TYR A 11 4.686 21.217 -19.615 1.00 20.34 H new ATOM 0 HD1 TYR A 11 2.973 19.369 -17.128 1.00 23.00 H new ATOM 0 HD2 TYR A 11 4.033 23.108 -18.136 1.00 19.82 H new ATOM 0 HE1 TYR A 11 2.253 20.119 -15.070 1.00 24.20 H new ATOM 0 HE2 TYR A 11 3.503 23.844 -15.996 1.00 22.84 H new ATOM 0 HH TYR A 11 1.697 22.834 -14.011 1.00 20.14 H new ATOM 91 N THR A 12 2.115 18.299 -20.482 1.00 15.86 N ATOM 92 CA THR A 12 1.258 17.141 -20.273 1.00 16.48 C ATOM 93 C THR A 12 1.227 16.763 -18.834 1.00 16.49 C ATOM 94 O THR A 12 2.224 16.836 -18.154 1.00 15.32 O ATOM 95 CB THR A 12 1.796 15.994 -21.102 1.00 19.64 C ATOM 96 OG1 THR A 12 1.831 16.478 -22.444 1.00 22.39 O ATOM 97 CG2 THR A 12 0.948 14.744 -21.036 1.00 19.03 C ATOM 0 H THR A 12 2.854 18.119 -20.883 1.00 15.86 H new ATOM 0 HA THR A 12 0.351 17.353 -20.544 1.00 16.48 H new ATOM 0 HB THR A 12 2.665 15.731 -20.762 1.00 19.64 H new ATOM 0 HG1 THR A 12 1.253 16.076 -22.902 1.00 22.39 H new ATOM 0 HG21 THR A 12 1.347 14.052 -21.587 1.00 19.03 H new ATOM 0 HG22 THR A 12 0.896 14.436 -20.118 1.00 19.03 H new ATOM 0 HG23 THR A 12 0.056 14.941 -21.361 1.00 19.03 H new ATOM 98 N VAL A 13 0.069 16.396 -18.352 1.00 14.74 N ATOM 99 CA VAL A 13 -0.015 15.776 -17.028 1.00 16.72 C ATOM 100 C VAL A 13 -0.693 14.469 -17.192 1.00 16.53 C ATOM 101 O VAL A 13 -1.428 14.210 -18.242 1.00 20.63 O ATOM 102 CB VAL A 13 -0.711 16.680 -15.973 1.00 15.65 C ATOM 103 CG1 VAL A 13 0.070 17.999 -15.766 1.00 19.43 C ATOM 104 CG2 VAL A 13 -2.180 16.864 -16.297 1.00 17.27 C ATOM 0 H VAL A 13 -0.683 16.489 -18.759 1.00 14.74 H new ATOM 0 HA VAL A 13 0.879 15.646 -16.674 1.00 16.72 H new ATOM 0 HB VAL A 13 -0.692 16.235 -15.112 1.00 15.65 H new ATOM 0 HG11 VAL A 13 -0.384 18.544 -15.104 1.00 19.43 H new ATOM 0 HG12 VAL A 13 0.968 17.799 -15.458 1.00 19.43 H new ATOM 0 HG13 VAL A 13 0.117 18.483 -16.605 1.00 19.43 H new ATOM 0 HG21 VAL A 13 -2.591 17.431 -15.626 1.00 17.27 H new ATOM 0 HG22 VAL A 13 -2.270 17.279 -17.169 1.00 17.27 H new ATOM 0 HG23 VAL A 13 -2.621 16.000 -16.304 1.00 17.27 H new ATOM 105 N TRP A 14 -0.486 13.602 -16.193 1.00 15.07 N ATOM 106 CA TRP A 14 -1.173 12.341 -16.188 1.00 14.82 C ATOM 107 C TRP A 14 -2.116 12.425 -15.016 1.00 16.38 C ATOM 108 O TRP A 14 -1.690 12.308 -13.861 1.00 14.73 O ATOM 109 CB TRP A 14 -0.207 11.140 -16.114 1.00 15.65 C ATOM 110 CG TRP A 14 0.529 10.901 -17.407 1.00 16.66 C ATOM 111 CD1 TRP A 14 0.249 9.914 -18.365 1.00 19.32 C ATOM 112 CD2 TRP A 14 1.606 11.681 -17.957 1.00 18.06 C ATOM 113 NE1 TRP A 14 1.109 10.030 -19.415 1.00 19.08 N ATOM 114 CE2 TRP A 14 1.941 11.103 -19.206 1.00 19.31 C ATOM 115 CE3 TRP A 14 2.361 12.766 -17.484 1.00 18.04 C ATOM 116 CZ2 TRP A 14 2.984 11.578 -19.993 1.00 19.97 C ATOM 117 CZ3 TRP A 14 3.378 13.259 -18.278 1.00 21.50 C ATOM 118 CH2 TRP A 14 3.705 12.636 -19.519 1.00 19.40 C ATOM 0 H TRP A 14 0.042 13.736 -15.527 1.00 15.07 H new ATOM 0 HA TRP A 14 -1.654 12.184 -17.015 1.00 14.82 H new ATOM 0 HB2 TRP A 14 0.436 11.291 -15.404 1.00 15.65 H new ATOM 0 HB3 TRP A 14 -0.707 10.342 -15.879 1.00 15.65 H new ATOM 0 HD1 TRP A 14 -0.424 9.276 -18.293 1.00 19.32 H new ATOM 0 HE1 TRP A 14 1.128 9.512 -20.102 1.00 19.08 H new ATOM 0 HE3 TRP A 14 2.180 13.145 -16.654 1.00 18.04 H new ATOM 0 HZ2 TRP A 14 3.184 11.189 -20.814 1.00 19.97 H new ATOM 0 HZ3 TRP A 14 3.856 14.007 -18.000 1.00 21.50 H new ATOM 0 HH2 TRP A 14 4.423 12.957 -20.015 1.00 19.40 H new ATOM 119 N ALA A 15 -3.400 12.609 -15.293 1.00 14.54 N ATOM 120 CA ALA A 15 -4.391 12.721 -14.216 1.00 14.76 C ATOM 121 C ALA A 15 -4.564 11.391 -13.566 1.00 14.52 C ATOM 122 O ALA A 15 -4.301 10.346 -14.196 1.00 14.86 O ATOM 123 CB ALA A 15 -5.735 13.215 -14.800 1.00 13.91 C ATOM 0 H ALA A 15 -3.722 12.672 -16.088 1.00 14.54 H new ATOM 0 HA ALA A 15 -4.086 13.359 -13.552 1.00 14.76 H new ATOM 0 HB1 ALA A 15 -6.390 13.289 -14.088 1.00 13.91 H new ATOM 0 HB2 ALA A 15 -5.609 14.083 -15.214 1.00 13.91 H new ATOM 0 HB3 ALA A 15 -6.051 12.583 -15.465 1.00 13.91 H new ATOM 124 N ALA A 16 -4.960 11.415 -12.302 1.00 14.40 N ATOM 125 CA ALA A 16 -5.182 10.236 -11.487 1.00 15.48 C ATOM 126 C ALA A 16 -6.442 10.429 -10.649 1.00 17.68 C ATOM 127 O ALA A 16 -6.763 11.559 -10.182 1.00 16.38 O ATOM 128 CB ALA A 16 -3.939 9.899 -10.627 1.00 16.05 C ATOM 0 H ALA A 16 -5.112 12.149 -11.880 1.00 14.40 H new ATOM 0 HA ALA A 16 -5.320 9.469 -12.064 1.00 15.48 H new ATOM 0 HB1 ALA A 16 -4.118 9.108 -10.095 1.00 16.05 H new ATOM 0 HB2 ALA A 16 -3.179 9.733 -11.207 1.00 16.05 H new ATOM 0 HB3 ALA A 16 -3.740 10.645 -10.040 1.00 16.05 H new ATOM 129 N ALA A 17 -7.213 9.349 -10.443 1.00 17.11 N ATOM 130 CA ALA A 17 -8.401 9.425 -9.580 1.00 18.93 C ATOM 131 C ALA A 17 -8.529 8.109 -8.827 1.00 18.89 C ATOM 132 O ALA A 17 -8.614 7.072 -9.448 1.00 19.11 O ATOM 133 CB ALA A 17 -9.649 9.690 -10.376 1.00 18.93 C ATOM 0 H ALA A 17 -7.067 8.575 -10.789 1.00 17.11 H new ATOM 0 HA ALA A 17 -8.295 10.164 -8.960 1.00 18.93 H new ATOM 0 HB1 ALA A 17 -10.411 9.734 -9.778 1.00 18.93 H new ATOM 0 HB2 ALA A 17 -9.559 10.533 -10.847 1.00 18.93 H new ATOM 0 HB3 ALA A 17 -9.782 8.974 -11.017 1.00 18.93 H new ATOM 134 N SER A 18 -8.598 8.154 -7.511 1.00 18.66 N ATOM 135 CA SER A 18 -8.573 6.887 -6.715 1.00 21.22 C ATOM 136 C SER A 18 -9.332 7.158 -5.413 1.00 23.22 C ATOM 137 O SER A 18 -9.400 8.311 -4.998 1.00 18.96 O ATOM 138 CB SER A 18 -7.129 6.558 -6.376 1.00 24.34 C ATOM 139 OG SER A 18 -7.036 5.443 -5.526 1.00 25.75 O ATOM 0 H SER A 18 -8.659 8.876 -7.048 1.00 18.66 H new ATOM 0 HA SER A 18 -8.972 6.153 -7.208 1.00 21.22 H new ATOM 0 HB2 SER A 18 -6.636 6.384 -7.193 1.00 24.34 H new ATOM 0 HB3 SER A 18 -6.713 7.325 -5.951 1.00 24.34 H new ATOM 0 HG SER A 18 -7.676 4.920 -5.678 1.00 25.75 H new ATOM 140 N LYS A 19 -9.904 6.120 -4.765 1.00 22.04 N ATOM 141 CA LYS A 19 -10.338 6.261 -3.362 1.00 22.18 C ATOM 142 C LYS A 19 -9.407 5.489 -2.401 1.00 25.38 C ATOM 143 O LYS A 19 -9.764 5.272 -1.255 1.00 29.23 O ATOM 144 CB LYS A 19 -11.812 5.886 -3.118 1.00 26.32 C ATOM 145 CG LYS A 19 -12.281 4.543 -3.669 1.00 31.86 C ATOM 146 CD LYS A 19 -13.766 4.375 -3.245 1.00 34.09 C ATOM 147 CE LYS A 19 -14.240 2.947 -3.401 1.00 44.79 C ATOM 148 NZ LYS A 19 -13.734 2.141 -2.225 1.00 45.43 N ATOM 0 H LYS A 19 -10.045 5.346 -5.113 1.00 22.04 H new ATOM 0 HA LYS A 19 -10.270 7.209 -3.169 1.00 22.18 H new ATOM 0 HB2 LYS A 19 -11.971 5.892 -2.161 1.00 26.32 H new ATOM 0 HB3 LYS A 19 -12.368 6.581 -3.503 1.00 26.32 H new ATOM 0 HG2 LYS A 19 -12.195 4.519 -4.635 1.00 31.86 H new ATOM 0 HG3 LYS A 19 -11.739 3.819 -3.317 1.00 31.86 H new ATOM 0 HD2 LYS A 19 -13.871 4.651 -2.321 1.00 34.09 H new ATOM 0 HD3 LYS A 19 -14.323 4.961 -3.781 1.00 34.09 H new ATOM 0 HE2 LYS A 19 -15.209 2.916 -3.439 1.00 44.79 H new ATOM 0 HE3 LYS A 19 -13.911 2.572 -4.233 1.00 44.79 H new ATOM 0 HZ1 LYS A 19 -14.088 1.325 -2.250 1.00 45.43 H new ATOM 0 HZ2 LYS A 19 -12.847 2.080 -2.266 1.00 45.43 H new ATOM 0 HZ3 LYS A 19 -13.969 2.543 -1.466 1.00 45.43 H new ATOM 149 N GLY A 20 -8.205 5.157 -2.875 1.00 24.46 N ATOM 150 CA GLY A 20 -7.130 4.634 -2.035 1.00 27.44 C ATOM 151 C GLY A 20 -7.034 3.136 -2.044 1.00 30.37 C ATOM 152 O GLY A 20 -5.939 2.588 -1.923 1.00 29.47 O ATOM 0 H GLY A 20 -7.990 5.231 -3.704 1.00 24.46 H new ATOM 0 HA2 GLY A 20 -6.286 5.006 -2.334 1.00 27.44 H new ATOM 0 HA3 GLY A 20 -7.266 4.936 -1.123 1.00 27.44 H new ATOM 153 N ASP A 21 -8.176 2.468 -2.212 1.00 33.67 N ATOM 154 CA ASP A 21 -8.197 1.027 -2.375 1.00 34.87 C ATOM 155 C ASP A 21 -8.766 0.610 -3.724 1.00 37.68 C ATOM 156 O ASP A 21 -8.865 -0.577 -4.007 1.00 36.58 O ATOM 157 CB ASP A 21 -8.970 0.382 -1.230 1.00 39.14 C ATOM 158 CG ASP A 21 -10.427 0.802 -1.170 1.00 42.98 C ATOM 159 OD1 ASP A 21 -10.928 1.702 -1.904 1.00 39.35 O ATOM 160 OD2 ASP A 21 -11.110 0.182 -0.348 1.00 48.50 O ATOM 0 H ASP A 21 -8.951 2.840 -2.234 1.00 33.67 H new ATOM 0 HA ASP A 21 -7.280 0.713 -2.351 1.00 34.87 H new ATOM 0 HB2 ASP A 21 -8.922 -0.583 -1.320 1.00 39.14 H new ATOM 0 HB3 ASP A 21 -8.540 0.610 -0.391 1.00 39.14 H new ATOM 161 N ALA A 22 -9.117 1.577 -4.566 1.00 28.04 N ATOM 162 CA ALA A 22 -9.660 1.285 -5.887 1.00 24.88 C ATOM 163 C ALA A 22 -9.503 2.522 -6.772 1.00 25.28 C ATOM 164 O ALA A 22 -9.540 3.669 -6.239 1.00 24.71 O ATOM 165 CB ALA A 22 -11.161 0.946 -5.781 1.00 24.67 C ATOM 0 H ALA A 22 -9.048 2.416 -4.389 1.00 28.04 H new ATOM 0 HA ALA A 22 -9.184 0.530 -6.266 1.00 24.88 H new ATOM 0 HB1 ALA A 22 -11.513 0.753 -6.664 1.00 24.67 H new ATOM 0 HB2 ALA A 22 -11.278 0.170 -5.211 1.00 24.67 H new ATOM 0 HB3 ALA A 22 -11.637 1.701 -5.401 1.00 24.67 H new ATOM 166 N ALA A 23 -9.444 2.279 -8.095 1.00 23.74 N ATOM 167 CA ALA A 23 -9.549 3.336 -9.120 1.00 24.19 C ATOM 168 C ALA A 23 -10.937 3.984 -9.041 1.00 29.24 C ATOM 169 O ALA A 23 -11.904 3.314 -8.633 1.00 32.88 O ATOM 170 CB ALA A 23 -9.313 2.775 -10.496 1.00 23.06 C ATOM 0 H ALA A 23 -9.341 1.491 -8.423 1.00 23.74 H new ATOM 0 HA ALA A 23 -8.868 4.006 -8.950 1.00 24.19 H new ATOM 0 HB1 ALA A 23 -9.387 3.485 -11.152 1.00 23.06 H new ATOM 0 HB2 ALA A 23 -8.425 2.386 -10.539 1.00 23.06 H new ATOM 0 HB3 ALA A 23 -9.975 2.091 -10.685 1.00 23.06 H new ATOM 171 N LEU A 24 -11.034 5.284 -9.348 1.00 24.31 N ATOM 172 CA LEU A 24 -12.309 5.913 -9.704 1.00 22.10 C ATOM 173 C LEU A 24 -12.310 5.980 -11.253 1.00 23.89 C ATOM 174 O LEU A 24 -11.387 6.507 -11.890 1.00 23.15 O ATOM 175 CB LEU A 24 -12.459 7.319 -9.136 1.00 21.83 C ATOM 176 CG LEU A 24 -12.402 7.365 -7.595 1.00 25.61 C ATOM 177 CD1 LEU A 24 -12.588 8.821 -7.153 1.00 23.80 C ATOM 178 CD2 LEU A 24 -13.448 6.405 -6.993 1.00 25.06 C ATOM 0 H LEU A 24 -10.363 5.822 -9.355 1.00 24.31 H new ATOM 0 HA LEU A 24 -13.046 5.400 -9.337 1.00 22.10 H new ATOM 0 HB2 LEU A 24 -11.757 7.883 -9.496 1.00 21.83 H new ATOM 0 HB3 LEU A 24 -13.303 7.693 -9.433 1.00 21.83 H new ATOM 0 HG LEU A 24 -11.542 7.059 -7.266 1.00 25.61 H new ATOM 0 HD11 LEU A 24 -12.555 8.872 -6.185 1.00 23.80 H new ATOM 0 HD12 LEU A 24 -11.880 9.367 -7.529 1.00 23.80 H new ATOM 0 HD13 LEU A 24 -13.447 9.147 -7.465 1.00 23.80 H new ATOM 0 HD21 LEU A 24 -13.403 6.443 -6.025 1.00 25.06 H new ATOM 0 HD22 LEU A 24 -14.335 6.668 -7.285 1.00 25.06 H new ATOM 0 HD23 LEU A 24 -13.265 5.500 -7.290 1.00 25.06 H new ATOM 179 N ASP A 25 -13.336 5.397 -11.847 1.00 24.37 N ATOM 180 CA ASP A 25 -13.449 5.299 -13.270 1.00 25.31 C ATOM 181 C ASP A 25 -12.190 4.581 -13.747 1.00 23.52 C ATOM 182 O ASP A 25 -11.753 3.602 -13.100 1.00 25.35 O ATOM 183 CB ASP A 25 -13.688 6.716 -13.821 1.00 26.59 C ATOM 184 CG ASP A 25 -14.150 6.745 -15.259 1.00 30.87 C ATOM 185 OD1 ASP A 25 -13.344 6.443 -16.186 1.00 32.20 O ATOM 186 OD2 ASP A 25 -15.281 7.212 -15.474 1.00 29.71 O ATOM 0 H ASP A 25 -13.993 5.044 -11.419 1.00 24.37 H new ATOM 0 HA ASP A 25 -14.200 4.779 -13.595 1.00 25.31 H new ATOM 0 HB2 ASP A 25 -14.350 7.160 -13.269 1.00 26.59 H new ATOM 0 HB3 ASP A 25 -12.866 7.226 -13.744 1.00 26.59 H new ATOM 187 N ALA A 26 -11.577 5.019 -14.836 1.00 22.72 N ATOM 188 CA ALA A 26 -10.420 4.328 -15.365 1.00 22.49 C ATOM 189 C ALA A 26 -9.183 4.505 -14.449 1.00 24.52 C ATOM 190 O ALA A 26 -8.185 3.837 -14.632 1.00 28.41 O ATOM 191 CB ALA A 26 -10.132 4.872 -16.785 1.00 21.82 C ATOM 0 H ALA A 26 -11.817 5.714 -15.282 1.00 22.72 H new ATOM 0 HA ALA A 26 -10.607 3.377 -15.404 1.00 22.49 H new ATOM 0 HB1 ALA A 26 -9.358 4.419 -17.155 1.00 21.82 H new ATOM 0 HB2 ALA A 26 -10.901 4.714 -17.354 1.00 21.82 H new ATOM 0 HB3 ALA A 26 -9.956 5.825 -16.737 1.00 21.82 H new ATOM 192 N GLY A 27 -9.245 5.432 -13.498 1.00 22.01 N ATOM 193 CA GLY A 27 -8.175 5.686 -12.540 1.00 22.25 C ATOM 194 C GLY A 27 -7.013 6.544 -13.002 1.00 20.59 C ATOM 195 O GLY A 27 -6.375 7.130 -12.164 1.00 20.58 O ATOM 0 H GLY A 27 -9.928 5.943 -13.390 1.00 22.01 H new ATOM 0 HA2 GLY A 27 -8.566 6.107 -11.759 1.00 22.25 H new ATOM 0 HA3 GLY A 27 -7.820 4.830 -12.253 1.00 22.25 H new ATOM 196 N GLY A 28 -6.740 6.656 -14.304 1.00 18.59 N ATOM 197 CA GLY A 28 -5.720 7.579 -14.762 1.00 18.46 C ATOM 198 C GLY A 28 -5.701 7.741 -16.265 1.00 23.37 C ATOM 199 O GLY A 28 -6.088 6.834 -16.986 1.00 22.20 O ATOM 0 H GLY A 28 -7.132 6.210 -14.926 1.00 18.59 H new ATOM 0 HA2 GLY A 28 -5.866 8.445 -14.350 1.00 18.46 H new ATOM 0 HA3 GLY A 28 -4.851 7.267 -14.464 1.00 18.46 H new ATOM 200 N ARG A 29 -5.244 8.891 -16.754 1.00 17.84 N ATOM 201 CA ARG A 29 -5.173 9.099 -18.194 1.00 17.92 C ATOM 202 C ARG A 29 -4.173 10.176 -18.474 1.00 16.77 C ATOM 203 O ARG A 29 -4.029 11.120 -17.695 1.00 15.63 O ATOM 204 CB ARG A 29 -6.533 9.629 -18.688 1.00 21.22 C ATOM 205 CG ARG A 29 -6.864 8.976 -20.003 1.00 27.16 C ATOM 206 CD ARG A 29 -7.903 9.857 -20.648 1.00 26.40 C ATOM 207 NE ARG A 29 -7.258 10.990 -21.292 1.00 23.95 N ATOM 208 CZ ARG A 29 -7.926 11.812 -22.085 1.00 22.89 C ATOM 209 NH1 ARG A 29 -9.237 11.563 -22.248 1.00 20.39 N ATOM 210 NH2 ARG A 29 -7.316 12.825 -22.722 1.00 23.18 N ATOM 0 H ARG A 29 -4.974 9.553 -16.276 1.00 17.84 H new ATOM 0 HA ARG A 29 -4.935 8.265 -18.629 1.00 17.92 H new ATOM 0 HB2 ARG A 29 -7.224 9.438 -18.035 1.00 21.22 H new ATOM 0 HB3 ARG A 29 -6.500 10.593 -18.791 1.00 21.22 H new ATOM 0 HG2 ARG A 29 -6.075 8.901 -20.563 1.00 27.16 H new ATOM 0 HG3 ARG A 29 -7.204 8.077 -19.870 1.00 27.16 H new ATOM 0 HD2 ARG A 29 -8.410 9.349 -21.301 1.00 26.40 H new ATOM 0 HD3 ARG A 29 -8.533 10.170 -19.980 1.00 26.40 H new ATOM 0 HE ARG A 29 -6.421 11.129 -21.154 1.00 23.95 H new ATOM 0 HH11 ARG A 29 -9.601 10.896 -21.846 1.00 20.39 H new ATOM 0 HH12 ARG A 29 -9.711 12.071 -22.754 1.00 20.39 H new ATOM 0 HH21 ARG A 29 -6.472 12.951 -22.619 1.00 23.18 H new ATOM 0 HH22 ARG A 29 -7.770 13.347 -23.233 1.00 23.18 H new ATOM 211 N GLN A 30 -3.523 10.104 -19.605 1.00 16.73 N ATOM 212 CA GLN A 30 -2.676 11.232 -20.073 1.00 17.98 C ATOM 213 C GLN A 30 -3.551 12.423 -20.543 1.00 18.98 C ATOM 214 O GLN A 30 -4.506 12.229 -21.274 1.00 19.91 O ATOM 215 CB GLN A 30 -1.818 10.772 -21.250 1.00 19.96 C ATOM 216 CG GLN A 30 -0.974 11.899 -21.839 1.00 21.67 C ATOM 217 CD GLN A 30 -0.003 11.374 -22.914 1.00 24.82 C ATOM 218 OE1 GLN A 30 0.461 10.250 -22.871 1.00 26.78 O ATOM 219 NE2 GLN A 30 0.260 12.182 -23.880 1.00 23.95 N ATOM 0 H GLN A 30 -3.542 9.425 -20.133 1.00 16.73 H new ATOM 0 HA GLN A 30 -2.118 11.517 -19.333 1.00 17.98 H new ATOM 0 HB2 GLN A 30 -1.234 10.054 -20.959 1.00 19.96 H new ATOM 0 HB3 GLN A 30 -2.393 10.408 -21.941 1.00 19.96 H new ATOM 0 HG2 GLN A 30 -1.555 12.571 -22.227 1.00 21.67 H new ATOM 0 HG3 GLN A 30 -0.472 12.332 -21.131 1.00 21.67 H new ATOM 0 HE21 GLN A 30 -0.082 12.971 -23.886 1.00 23.95 H new ATOM 0 HE22 GLN A 30 0.777 11.933 -24.520 1.00 23.95 H new ATOM 220 N LEU A 31 -3.204 13.629 -20.164 1.00 16.43 N ATOM 221 CA LEU A 31 -3.885 14.842 -20.644 1.00 16.41 C ATOM 222 C LEU A 31 -2.861 15.775 -21.236 1.00 15.29 C ATOM 223 O LEU A 31 -2.104 16.443 -20.513 1.00 15.95 O ATOM 224 CB LEU A 31 -4.646 15.575 -19.510 1.00 16.18 C ATOM 225 CG LEU A 31 -5.846 14.900 -18.875 1.00 17.99 C ATOM 226 CD1 LEU A 31 -6.433 15.826 -17.859 1.00 18.91 C ATOM 227 CD2 LEU A 31 -6.929 14.800 -19.926 1.00 20.03 C ATOM 0 H LEU A 31 -2.561 13.785 -19.615 1.00 16.43 H new ATOM 0 HA LEU A 31 -4.537 14.574 -21.310 1.00 16.41 H new ATOM 0 HB2 LEU A 31 -4.008 15.764 -18.804 1.00 16.18 H new ATOM 0 HB3 LEU A 31 -4.942 16.430 -19.861 1.00 16.18 H new ATOM 0 HG LEU A 31 -5.575 14.046 -18.504 1.00 17.99 H new ATOM 0 HD11 LEU A 31 -7.203 15.406 -17.444 1.00 18.91 H new ATOM 0 HD12 LEU A 31 -5.769 16.025 -17.180 1.00 18.91 H new ATOM 0 HD13 LEU A 31 -6.709 16.649 -18.292 1.00 18.91 H new ATOM 0 HD21 LEU A 31 -7.711 14.370 -19.545 1.00 20.03 H new ATOM 0 HD22 LEU A 31 -7.166 15.689 -20.232 1.00 20.03 H new ATOM 0 HD23 LEU A 31 -6.606 14.276 -20.675 1.00 20.03 H new ATOM 228 N ASN A 32 -2.874 15.924 -22.553 1.00 16.97 N ATOM 229 CA ASN A 32 -2.079 16.989 -23.120 1.00 17.20 C ATOM 230 C ASN A 32 -2.660 18.319 -22.792 1.00 15.20 C ATOM 231 O ASN A 32 -3.779 18.441 -22.353 1.00 16.08 O ATOM 232 CB ASN A 32 -1.931 16.802 -24.642 1.00 19.51 C ATOM 233 CG ASN A 32 -1.302 15.457 -24.942 1.00 23.87 C ATOM 234 OD1 ASN A 32 -0.265 15.068 -24.224 1.00 36.29 O flip ATOM 235 ND2 ASN A 32 -1.789 14.755 -25.789 1.00 24.14 N flip ATOM 0 H ASN A 32 -3.316 15.441 -23.111 1.00 16.97 H new ATOM 0 HA ASN A 32 -1.193 16.952 -22.727 1.00 17.20 H new ATOM 0 HB2 ASN A 32 -2.800 16.863 -25.069 1.00 19.51 H new ATOM 0 HB3 ASN A 32 -1.383 17.513 -25.011 1.00 19.51 H new ATOM 0 HD21 ASN A 32 -2.465 15.034 -26.242 1.00 24.14 H new ATOM 0 HD22 ASN A 32 -1.461 13.975 -25.941 1.00 24.14 H new ATOM 236 N SER A 33 -1.899 19.331 -23.039 1.00 14.37 N ATOM 237 CA SER A 33 -2.329 20.711 -22.776 1.00 13.91 C ATOM 238 C SER A 33 -3.643 21.054 -23.474 1.00 15.10 C ATOM 239 O SER A 33 -3.726 20.895 -24.717 1.00 14.94 O ATOM 240 CB SER A 33 -1.236 21.622 -23.351 1.00 13.48 C ATOM 241 OG SER A 33 -1.663 22.965 -23.124 1.00 15.66 O ATOM 0 H SER A 33 -1.107 19.264 -23.367 1.00 14.37 H new ATOM 0 HA SER A 33 -2.465 20.825 -21.822 1.00 13.91 H new ATOM 0 HB2 SER A 33 -0.384 21.453 -22.919 1.00 13.48 H new ATOM 0 HB3 SER A 33 -1.111 21.455 -24.298 1.00 13.48 H new ATOM 0 HG SER A 33 -1.524 23.172 -22.322 1.00 15.66 H new ATOM 242 N GLY A 34 -4.676 21.437 -22.716 1.00 13.37 N ATOM 243 CA GLY A 34 -6.025 21.702 -23.246 1.00 15.49 C ATOM 244 C GLY A 34 -7.037 20.588 -23.165 1.00 16.57 C ATOM 245 O GLY A 34 -8.245 20.824 -23.314 1.00 17.07 O ATOM 0 H GLY A 34 -4.614 21.553 -21.866 1.00 13.37 H new ATOM 0 HA2 GLY A 34 -6.386 22.469 -22.775 1.00 15.49 H new ATOM 0 HA3 GLY A 34 -5.936 21.958 -24.177 1.00 15.49 H new ATOM 246 N GLU A 35 -6.548 19.371 -22.997 1.00 15.88 N ATOM 247 CA GLU A 35 -7.419 18.177 -22.989 1.00 16.75 C ATOM 248 C GLU A 35 -8.301 18.076 -21.732 1.00 17.49 C ATOM 249 O GLU A 35 -7.873 18.497 -20.647 1.00 17.75 O ATOM 250 CB GLU A 35 -6.556 16.912 -23.145 1.00 17.07 C ATOM 251 CG GLU A 35 -6.059 16.781 -24.592 1.00 18.25 C ATOM 252 CD GLU A 35 -5.507 15.403 -24.870 1.00 20.64 C ATOM 253 OE1 GLU A 35 -4.963 14.709 -23.984 1.00 17.48 O ATOM 254 OE2 GLU A 35 -5.670 14.986 -26.011 1.00 23.02 O ATOM 0 H GLU A 35 -5.712 19.201 -22.884 1.00 15.88 H new ATOM 0 HA GLU A 35 -8.028 18.261 -23.739 1.00 16.75 H new ATOM 0 HB2 GLU A 35 -5.800 16.952 -22.539 1.00 17.07 H new ATOM 0 HB3 GLU A 35 -7.073 16.128 -22.902 1.00 17.07 H new ATOM 0 HG2 GLU A 35 -6.789 16.967 -25.203 1.00 18.25 H new ATOM 0 HG3 GLU A 35 -5.372 17.445 -24.760 1.00 18.25 H new ATOM 255 N SER A 36 -9.505 17.509 -21.874 1.00 15.83 N ATOM 256 CA SER A 36 -10.512 17.393 -20.784 1.00 18.73 C ATOM 257 C SER A 36 -10.851 15.902 -20.719 1.00 20.12 C ATOM 258 O SER A 36 -10.964 15.264 -21.730 1.00 20.29 O ATOM 259 CB SER A 36 -11.787 18.188 -21.120 1.00 17.32 C ATOM 260 OG SER A 36 -11.485 19.601 -21.286 1.00 19.34 O ATOM 0 H SER A 36 -9.773 17.172 -22.618 1.00 15.83 H new ATOM 0 HA SER A 36 -10.168 17.743 -19.947 1.00 18.73 H new ATOM 0 HB2 SER A 36 -12.185 17.840 -21.933 1.00 17.32 H new ATOM 0 HB3 SER A 36 -12.441 18.073 -20.413 1.00 17.32 H new ATOM 0 HG SER A 36 -12.171 20.056 -21.118 1.00 19.34 H new ATOM 261 N TRP A 37 -10.994 15.372 -19.523 1.00 17.69 N ATOM 262 CA TRP A 37 -11.341 13.966 -19.347 1.00 19.34 C ATOM 263 C TRP A 37 -12.527 13.980 -18.394 1.00 19.44 C ATOM 264 O TRP A 37 -12.464 14.533 -17.309 1.00 19.00 O ATOM 265 CB TRP A 37 -10.154 13.261 -18.726 1.00 20.08 C ATOM 266 CG TRP A 37 -10.348 11.794 -18.322 1.00 23.38 C ATOM 267 CD1 TRP A 37 -11.045 10.809 -18.989 1.00 23.97 C ATOM 268 CD2 TRP A 37 -9.739 11.170 -17.172 1.00 22.83 C ATOM 269 NE1 TRP A 37 -10.909 9.599 -18.277 1.00 24.59 N ATOM 270 CE2 TRP A 37 -10.106 9.793 -17.188 1.00 23.29 C ATOM 271 CE3 TRP A 37 -8.923 11.653 -16.131 1.00 22.20 C ATOM 272 CZ2 TRP A 37 -9.703 8.893 -16.185 1.00 24.35 C ATOM 273 CZ3 TRP A 37 -8.509 10.765 -15.117 1.00 26.39 C ATOM 274 CH2 TRP A 37 -8.922 9.401 -15.139 1.00 23.43 C ATOM 0 H TRP A 37 -10.895 15.809 -18.789 1.00 17.69 H new ATOM 0 HA TRP A 37 -11.560 13.508 -20.174 1.00 19.34 H new ATOM 0 HB2 TRP A 37 -9.415 13.306 -19.353 1.00 20.08 H new ATOM 0 HB3 TRP A 37 -9.887 13.758 -17.937 1.00 20.08 H new ATOM 0 HD1 TRP A 37 -11.525 10.923 -19.777 1.00 23.97 H new ATOM 0 HE1 TRP A 37 -11.276 8.852 -18.495 1.00 24.59 H new ATOM 0 HE3 TRP A 37 -8.661 12.545 -16.113 1.00 22.20 H new ATOM 0 HZ2 TRP A 37 -9.946 7.996 -16.215 1.00 24.35 H new ATOM 0 HZ3 TRP A 37 -7.963 11.071 -14.429 1.00 26.39 H new ATOM 0 HH2 TRP A 37 -8.668 8.837 -14.445 1.00 23.43 H new ATOM 275 N THR A 38 -13.622 13.376 -18.819 1.00 20.31 N ATOM 276 CA THR A 38 -14.829 13.334 -17.982 1.00 21.57 C ATOM 277 C THR A 38 -14.921 11.959 -17.332 1.00 21.85 C ATOM 278 O THR A 38 -14.921 10.914 -18.021 1.00 23.66 O ATOM 279 CB THR A 38 -16.052 13.632 -18.897 1.00 26.17 C ATOM 280 OG1 THR A 38 -15.903 14.981 -19.326 1.00 29.00 O ATOM 281 CG2 THR A 38 -17.360 13.597 -18.089 1.00 31.55 C ATOM 0 H THR A 38 -13.697 12.984 -19.581 1.00 20.31 H new ATOM 0 HA THR A 38 -14.805 13.996 -17.273 1.00 21.57 H new ATOM 0 HB THR A 38 -16.087 12.982 -19.616 1.00 26.17 H new ATOM 0 HG1 THR A 38 -16.544 15.188 -19.828 1.00 29.00 H new ATOM 0 HG21 THR A 38 -18.109 13.785 -18.677 1.00 31.55 H new ATOM 0 HG22 THR A 38 -17.473 12.719 -17.693 1.00 31.55 H new ATOM 0 HG23 THR A 38 -17.325 14.265 -17.387 1.00 31.55 H new ATOM 282 N ILE A 39 -14.941 11.939 -16.014 1.00 22.36 N ATOM 283 CA ILE A 39 -15.143 10.695 -15.360 1.00 20.00 C ATOM 284 C ILE A 39 -16.463 10.684 -14.571 1.00 22.93 C ATOM 285 O ILE A 39 -16.981 11.703 -14.185 1.00 23.49 O ATOM 286 CB ILE A 39 -13.972 10.367 -14.425 1.00 22.10 C ATOM 287 CG1 ILE A 39 -13.946 11.367 -13.252 1.00 20.63 C ATOM 288 CG2 ILE A 39 -12.681 10.207 -15.261 1.00 23.56 C ATOM 289 CD1 ILE A 39 -12.975 10.986 -12.094 1.00 22.59 C ATOM 0 H ILE A 39 -14.841 12.622 -15.501 1.00 22.36 H new ATOM 0 HA ILE A 39 -15.192 10.014 -16.049 1.00 20.00 H new ATOM 0 HB ILE A 39 -14.072 9.508 -13.985 1.00 22.10 H new ATOM 0 HG12 ILE A 39 -13.697 12.240 -13.593 1.00 20.63 H new ATOM 0 HG13 ILE A 39 -14.843 11.448 -12.892 1.00 20.63 H new ATOM 0 HG21 ILE A 39 -11.938 9.999 -14.673 1.00 23.56 H new ATOM 0 HG22 ILE A 39 -12.797 9.487 -15.901 1.00 23.56 H new ATOM 0 HG23 ILE A 39 -12.497 11.034 -15.734 1.00 23.56 H new ATOM 0 HD11 ILE A 39 -13.018 11.662 -11.400 1.00 22.59 H new ATOM 0 HD12 ILE A 39 -13.233 10.127 -11.725 1.00 22.59 H new ATOM 0 HD13 ILE A 39 -12.069 10.931 -12.436 1.00 22.59 H new ATOM 290 N ASN A 40 -16.944 9.470 -14.305 1.00 25.91 N ATOM 291 CA ASN A 40 -18.063 9.228 -13.414 1.00 27.95 C ATOM 292 C ASN A 40 -17.646 8.585 -12.119 1.00 25.12 C ATOM 293 O ASN A 40 -16.885 7.594 -12.122 1.00 24.84 O ATOM 294 CB ASN A 40 -19.004 8.257 -14.095 1.00 39.34 C ATOM 295 CG ASN A 40 -20.260 8.939 -14.461 1.00 58.86 C ATOM 296 OD1 ASN A 40 -20.344 9.527 -15.554 1.00 64.60 O ATOM 297 ND2 ASN A 40 -21.203 9.018 -13.487 1.00 59.84 N ATOM 0 H ASN A 40 -16.618 8.752 -14.648 1.00 25.91 H new ATOM 0 HA ASN A 40 -18.470 10.087 -13.220 1.00 27.95 H new ATOM 0 HB2 ASN A 40 -18.583 7.891 -14.889 1.00 39.34 H new ATOM 0 HB3 ASN A 40 -19.193 7.511 -13.505 1.00 39.34 H new ATOM 0 HD21 ASN A 40 -21.908 9.495 -13.609 1.00 59.84 H new ATOM 0 HD22 ASN A 40 -21.095 8.591 -12.749 1.00 59.84 H new ATOM 298 N VAL A 41 -18.129 9.162 -11.033 1.00 23.39 N ATOM 299 CA VAL A 41 -17.780 8.727 -9.681 1.00 24.79 C ATOM 300 C VAL A 41 -19.081 8.291 -9.035 1.00 28.17 C ATOM 301 O VAL A 41 -20.048 9.064 -8.993 1.00 27.90 O ATOM 302 CB VAL A 41 -17.079 9.870 -8.896 1.00 25.21 C ATOM 303 CG1 VAL A 41 -16.841 9.468 -7.425 1.00 24.82 C ATOM 304 CG2 VAL A 41 -15.728 10.196 -9.551 1.00 22.55 C ATOM 0 H VAL A 41 -18.676 9.826 -11.054 1.00 23.39 H new ATOM 0 HA VAL A 41 -17.145 7.994 -9.688 1.00 24.79 H new ATOM 0 HB VAL A 41 -17.657 10.648 -8.917 1.00 25.21 H new ATOM 0 HG11 VAL A 41 -16.403 10.196 -6.957 1.00 24.82 H new ATOM 0 HG12 VAL A 41 -17.692 9.276 -7.000 1.00 24.82 H new ATOM 0 HG13 VAL A 41 -16.278 8.679 -7.392 1.00 24.82 H new ATOM 0 HG21 VAL A 41 -15.293 10.910 -9.059 1.00 22.55 H new ATOM 0 HG22 VAL A 41 -15.164 9.407 -9.541 1.00 22.55 H new ATOM 0 HG23 VAL A 41 -15.872 10.478 -10.468 1.00 22.55 H new ATOM 305 N GLU A 42 -19.102 7.066 -8.526 1.00 28.36 N ATOM 306 CA GLU A 42 -20.317 6.534 -7.922 1.00 27.85 C ATOM 307 C GLU A 42 -20.789 7.425 -6.722 1.00 28.76 C ATOM 308 O GLU A 42 -19.937 7.932 -5.956 1.00 27.33 O ATOM 309 CB GLU A 42 -20.055 5.097 -7.541 1.00 32.61 C ATOM 310 CG GLU A 42 -21.148 4.559 -6.633 1.00 54.37 C ATOM 311 CD GLU A 42 -21.401 3.056 -6.750 1.00 66.52 C ATOM 312 OE1 GLU A 42 -20.615 2.257 -6.186 1.00 75.85 O ATOM 313 OE2 GLU A 42 -22.427 2.675 -7.361 1.00 61.09 O ATOM 0 H GLU A 42 -18.430 6.530 -8.520 1.00 28.36 H new ATOM 0 HA GLU A 42 -21.054 6.553 -8.552 1.00 27.85 H new ATOM 0 HB2 GLU A 42 -20.000 4.553 -8.342 1.00 32.61 H new ATOM 0 HB3 GLU A 42 -19.197 5.030 -7.093 1.00 32.61 H new ATOM 0 HG2 GLU A 42 -20.916 4.764 -5.714 1.00 54.37 H new ATOM 0 HG3 GLU A 42 -21.974 5.029 -6.829 1.00 54.37 H new ATOM 314 N PRO A 43 -22.119 7.711 -6.591 1.00 29.34 N ATOM 315 CA PRO A 43 -22.649 8.414 -5.390 1.00 29.80 C ATOM 316 C PRO A 43 -22.268 7.687 -4.109 1.00 28.42 C ATOM 317 O PRO A 43 -22.092 6.459 -4.133 1.00 26.41 O ATOM 318 CB PRO A 43 -24.208 8.334 -5.570 1.00 29.24 C ATOM 319 CG PRO A 43 -24.371 8.232 -7.048 1.00 30.82 C ATOM 320 CD PRO A 43 -23.213 7.368 -7.529 1.00 30.36 C ATOM 0 HA PRO A 43 -22.301 9.317 -5.319 1.00 29.80 H new ATOM 0 HB2 PRO A 43 -24.583 7.565 -5.114 1.00 29.24 H new ATOM 0 HB3 PRO A 43 -24.651 9.120 -5.213 1.00 29.24 H new ATOM 0 HG2 PRO A 43 -25.224 7.832 -7.278 1.00 30.82 H new ATOM 0 HG3 PRO A 43 -24.348 9.109 -7.463 1.00 30.82 H new ATOM 0 HD2 PRO A 43 -23.432 6.424 -7.493 1.00 30.36 H new ATOM 0 HD3 PRO A 43 -22.974 7.569 -8.447 1.00 30.36 H new ATOM 321 N GLY A 44 -22.110 8.433 -3.020 1.00 24.26 N ATOM 322 CA GLY A 44 -21.702 7.826 -1.748 1.00 26.68 C ATOM 323 C GLY A 44 -20.198 7.593 -1.641 1.00 29.88 C ATOM 324 O GLY A 44 -19.741 7.153 -0.607 1.00 33.14 O ATOM 0 H GLY A 44 -22.232 9.284 -2.992 1.00 24.26 H new ATOM 0 HA2 GLY A 44 -21.986 8.399 -1.018 1.00 26.68 H new ATOM 0 HA3 GLY A 44 -22.162 6.979 -1.640 1.00 26.68 H new ATOM 325 N THR A 45 -19.413 7.910 -2.684 1.00 24.22 N ATOM 326 CA THR A 45 -17.950 7.750 -2.618 1.00 23.51 C ATOM 327 C THR A 45 -17.360 8.624 -1.513 1.00 24.02 C ATOM 328 O THR A 45 -17.558 9.858 -1.466 1.00 23.99 O ATOM 329 CB THR A 45 -17.250 8.145 -3.929 1.00 23.93 C ATOM 330 OG1 THR A 45 -17.644 7.206 -4.918 1.00 25.11 O ATOM 331 CG2 THR A 45 -15.705 8.050 -3.755 1.00 24.96 C ATOM 0 H THR A 45 -19.706 8.217 -3.432 1.00 24.22 H new ATOM 0 HA THR A 45 -17.798 6.808 -2.443 1.00 23.51 H new ATOM 0 HB THR A 45 -17.490 9.052 -4.177 1.00 23.93 H new ATOM 0 HG1 THR A 45 -18.337 7.481 -5.306 1.00 25.11 H new ATOM 0 HG21 THR A 45 -15.270 8.300 -4.585 1.00 24.96 H new ATOM 0 HG22 THR A 45 -15.421 8.650 -3.048 1.00 24.96 H new ATOM 0 HG23 THR A 45 -15.461 7.140 -3.524 1.00 24.96 H new ATOM 332 N ASN A 46 -16.638 7.964 -0.613 1.00 24.49 N ATOM 333 CA ASN A 46 -16.084 8.630 0.525 1.00 26.87 C ATOM 334 C ASN A 46 -14.566 8.667 0.377 1.00 27.83 C ATOM 335 O ASN A 46 -13.956 7.649 0.094 1.00 25.10 O ATOM 336 CB ASN A 46 -16.438 7.802 1.762 1.00 35.06 C ATOM 337 CG ASN A 46 -16.486 8.645 2.964 1.00 50.40 C ATOM 338 OD1 ASN A 46 -17.527 9.203 3.267 1.00 67.90 O ATOM 339 ND2 ASN A 46 -15.338 8.849 3.606 1.00 54.69 N ATOM 0 H ASN A 46 -16.464 7.123 -0.656 1.00 24.49 H new ATOM 0 HA ASN A 46 -16.430 9.533 0.602 1.00 26.87 H new ATOM 0 HB2 ASN A 46 -17.297 7.370 1.631 1.00 35.06 H new ATOM 0 HB3 ASN A 46 -15.782 7.098 1.883 1.00 35.06 H new ATOM 0 HD21 ASN A 46 -15.307 9.396 4.269 1.00 54.69 H new ATOM 0 HD22 ASN A 46 -14.627 8.434 3.358 1.00 54.69 H new ATOM 340 N GLY A 47 -13.948 9.816 0.556 1.00 23.74 N ATOM 341 CA GLY A 47 -12.468 9.855 0.544 1.00 22.61 C ATOM 342 C GLY A 47 -11.848 9.677 -0.872 1.00 24.64 C ATOM 343 O GLY A 47 -10.789 9.037 -1.029 1.00 24.43 O ATOM 0 H GLY A 47 -14.337 10.572 0.684 1.00 23.74 H new ATOM 0 HA2 GLY A 47 -12.172 10.701 0.914 1.00 22.61 H new ATOM 0 HA3 GLY A 47 -12.129 9.157 1.126 1.00 22.61 H new ATOM 344 N GLY A 48 -12.496 10.214 -1.912 1.00 21.62 N ATOM 345 CA GLY A 48 -11.923 10.160 -3.240 1.00 18.69 C ATOM 346 C GLY A 48 -10.866 11.272 -3.377 1.00 19.27 C ATOM 347 O GLY A 48 -10.933 12.327 -2.680 1.00 19.48 O ATOM 0 H GLY A 48 -13.259 10.608 -1.861 1.00 21.62 H new ATOM 0 HA2 GLY A 48 -11.518 9.292 -3.395 1.00 18.69 H new ATOM 0 HA3 GLY A 48 -12.616 10.273 -3.909 1.00 18.69 H new ATOM 348 N LYS A 49 -9.871 11.036 -4.245 1.00 15.82 N ATOM 349 CA LYS A 49 -8.880 12.104 -4.515 1.00 16.11 C ATOM 350 C LYS A 49 -8.592 12.183 -6.017 1.00 14.86 C ATOM 351 O LYS A 49 -8.535 11.125 -6.697 1.00 14.62 O ATOM 352 CB LYS A 49 -7.583 11.898 -3.734 1.00 15.71 C ATOM 353 CG LYS A 49 -7.775 11.919 -2.203 1.00 18.50 C ATOM 354 CD LYS A 49 -6.453 11.863 -1.439 1.00 20.04 C ATOM 355 CE LYS A 49 -6.558 11.280 -0.039 1.00 24.92 C ATOM 356 NZ LYS A 49 -7.371 12.177 0.775 1.00 24.55 N ATOM 0 H LYS A 49 -9.750 10.300 -4.673 1.00 15.82 H new ATOM 0 HA LYS A 49 -9.264 12.943 -4.215 1.00 16.11 H new ATOM 0 HB2 LYS A 49 -7.190 11.049 -3.992 1.00 15.71 H new ATOM 0 HB3 LYS A 49 -6.951 12.590 -3.983 1.00 15.71 H new ATOM 0 HG2 LYS A 49 -8.255 12.724 -1.952 1.00 18.50 H new ATOM 0 HG3 LYS A 49 -8.328 11.166 -1.940 1.00 18.50 H new ATOM 0 HD2 LYS A 49 -5.819 11.336 -1.950 1.00 20.04 H new ATOM 0 HD3 LYS A 49 -6.090 12.760 -1.377 1.00 20.04 H new ATOM 0 HE2 LYS A 49 -6.958 10.397 -0.070 1.00 24.92 H new ATOM 0 HE3 LYS A 49 -5.676 11.178 0.351 1.00 24.92 H new ATOM 0 HZ1 LYS A 49 -7.346 11.912 1.624 1.00 24.55 H new ATOM 0 HZ2 LYS A 49 -7.051 13.005 0.714 1.00 24.55 H new ATOM 0 HZ3 LYS A 49 -8.212 12.162 0.484 1.00 24.55 H new ATOM 357 N ILE A 50 -8.317 13.395 -6.486 1.00 14.91 N ATOM 358 CA ILE A 50 -7.878 13.573 -7.882 1.00 15.30 C ATOM 359 C ILE A 50 -6.563 14.349 -7.761 1.00 15.27 C ATOM 360 O ILE A 50 -6.498 15.323 -6.962 1.00 14.77 O ATOM 361 CB ILE A 50 -8.934 14.369 -8.719 1.00 14.71 C ATOM 362 CG1 ILE A 50 -10.078 13.395 -9.049 1.00 15.39 C ATOM 363 CG2 ILE A 50 -8.284 14.919 -10.027 1.00 15.81 C ATOM 364 CD1 ILE A 50 -11.365 14.074 -9.601 1.00 16.54 C ATOM 0 H ILE A 50 -8.374 14.120 -6.028 1.00 14.91 H new ATOM 0 HA ILE A 50 -7.770 12.728 -8.346 1.00 15.30 H new ATOM 0 HB ILE A 50 -9.269 15.130 -8.220 1.00 14.71 H new ATOM 0 HG12 ILE A 50 -9.761 12.751 -9.701 1.00 15.39 H new ATOM 0 HG13 ILE A 50 -10.306 12.899 -8.247 1.00 15.39 H new ATOM 0 HG21 ILE A 50 -8.947 15.410 -10.537 1.00 15.81 H new ATOM 0 HG22 ILE A 50 -7.549 15.510 -9.800 1.00 15.81 H new ATOM 0 HG23 ILE A 50 -7.951 14.179 -10.559 1.00 15.81 H new ATOM 0 HD11 ILE A 50 -12.035 13.397 -9.784 1.00 16.54 H new ATOM 0 HD12 ILE A 50 -11.708 14.700 -8.944 1.00 16.54 H new ATOM 0 HD13 ILE A 50 -11.155 14.549 -10.420 1.00 16.54 H new ATOM 365 N TRP A 51 -5.565 13.979 -8.591 1.00 13.63 N ATOM 366 CA TRP A 51 -4.294 14.727 -8.641 1.00 14.73 C ATOM 367 C TRP A 51 -3.699 14.613 -10.043 1.00 14.70 C ATOM 368 O TRP A 51 -4.175 13.778 -10.876 1.00 15.25 O ATOM 369 CB TRP A 51 -3.328 14.212 -7.550 1.00 14.03 C ATOM 370 CG TRP A 51 -2.771 12.752 -7.741 1.00 14.99 C ATOM 371 CD1 TRP A 51 -1.497 12.389 -8.164 1.00 13.92 C ATOM 372 CD2 TRP A 51 -3.438 11.547 -7.395 1.00 15.87 C ATOM 373 NE1 TRP A 51 -1.364 11.009 -8.126 1.00 15.25 N ATOM 374 CE2 TRP A 51 -2.524 10.477 -7.620 1.00 15.69 C ATOM 375 CE3 TRP A 51 -4.740 11.255 -6.881 1.00 16.57 C ATOM 376 CZ2 TRP A 51 -2.894 9.137 -7.464 1.00 18.50 C ATOM 377 CZ3 TRP A 51 -5.096 9.921 -6.730 1.00 19.59 C ATOM 378 CH2 TRP A 51 -4.167 8.878 -6.972 1.00 18.97 C ATOM 0 H TRP A 51 -5.606 13.306 -9.125 1.00 13.63 H new ATOM 0 HA TRP A 51 -4.451 15.666 -8.458 1.00 14.73 H new ATOM 0 HB2 TRP A 51 -2.574 14.821 -7.499 1.00 14.03 H new ATOM 0 HB3 TRP A 51 -3.785 14.254 -6.695 1.00 14.03 H new ATOM 0 HD1 TRP A 51 -0.833 12.983 -8.432 1.00 13.92 H new ATOM 0 HE1 TRP A 51 -0.673 10.563 -8.377 1.00 15.25 H new ATOM 0 HE3 TRP A 51 -5.330 11.937 -6.655 1.00 16.57 H new ATOM 0 HZ2 TRP A 51 -2.310 8.446 -7.681 1.00 18.50 H new ATOM 0 HZ3 TRP A 51 -5.961 9.708 -6.465 1.00 19.59 H new ATOM 0 HH2 TRP A 51 -4.416 7.999 -6.797 1.00 18.97 H new ATOM 379 N ALA A 52 -2.649 15.395 -10.276 1.00 13.43 N ATOM 380 CA ALA A 52 -1.868 15.351 -11.495 1.00 13.38 C ATOM 381 C ALA A 52 -0.548 14.692 -11.186 1.00 13.82 C ATOM 382 O ALA A 52 -0.031 14.800 -10.073 1.00 15.89 O ATOM 383 CB ALA A 52 -1.636 16.770 -12.025 1.00 13.41 C ATOM 0 H ALA A 52 -2.368 15.979 -9.711 1.00 13.43 H new ATOM 0 HA ALA A 52 -2.342 14.847 -12.175 1.00 13.38 H new ATOM 0 HB1 ALA A 52 -1.113 16.729 -12.841 1.00 13.41 H new ATOM 0 HB2 ALA A 52 -2.490 17.190 -12.210 1.00 13.41 H new ATOM 0 HB3 ALA A 52 -1.158 17.290 -11.360 1.00 13.41 H new ATOM 384 N ARG A 53 -0.017 13.983 -12.166 1.00 14.53 N ATOM 385 CA ARG A 53 1.350 13.431 -12.091 1.00 15.37 C ATOM 386 C ARG A 53 2.140 14.084 -13.189 1.00 15.65 C ATOM 387 O ARG A 53 1.600 14.344 -14.296 1.00 15.07 O ATOM 388 CB ARG A 53 1.242 11.923 -12.306 1.00 13.86 C ATOM 389 CG ARG A 53 0.490 11.248 -11.163 1.00 14.96 C ATOM 390 CD ARG A 53 0.145 9.815 -11.504 1.00 14.16 C ATOM 391 NE ARG A 53 -0.824 9.745 -12.608 1.00 16.46 N ATOM 392 CZ ARG A 53 -1.139 8.590 -13.230 1.00 18.06 C ATOM 393 NH1 ARG A 53 -0.478 7.435 -12.927 1.00 16.70 N ATOM 394 NH2 ARG A 53 -2.086 8.588 -14.162 1.00 18.68 N ATOM 0 H ARG A 53 -0.429 13.801 -12.899 1.00 14.53 H new ATOM 0 HA ARG A 53 1.784 13.596 -11.240 1.00 15.37 H new ATOM 0 HB2 ARG A 53 0.786 11.746 -13.144 1.00 13.86 H new ATOM 0 HB3 ARG A 53 2.131 11.541 -12.380 1.00 13.86 H new ATOM 0 HG2 ARG A 53 1.032 11.270 -10.359 1.00 14.96 H new ATOM 0 HG3 ARG A 53 -0.323 11.742 -10.971 1.00 14.96 H new ATOM 0 HD2 ARG A 53 0.952 9.336 -11.749 1.00 14.16 H new ATOM 0 HD3 ARG A 53 -0.221 9.374 -10.722 1.00 14.16 H new ATOM 0 HE ARG A 53 -1.206 10.470 -12.868 1.00 16.46 H new ATOM 0 HH11 ARG A 53 0.146 7.439 -12.335 1.00 16.70 H new ATOM 0 HH12 ARG A 53 -0.685 6.703 -13.328 1.00 16.70 H new ATOM 0 HH21 ARG A 53 -2.492 9.319 -14.364 1.00 18.68 H new ATOM 0 HH22 ARG A 53 -2.293 7.856 -14.563 1.00 18.68 H new ATOM 395 N THR A 54 3.441 14.316 -12.947 1.00 17.32 N ATOM 396 CA THR A 54 4.296 15.024 -13.900 1.00 15.44 C ATOM 397 C THR A 54 5.445 14.111 -14.329 1.00 17.62 C ATOM 398 O THR A 54 5.856 13.186 -13.588 1.00 16.72 O ATOM 399 CB THR A 54 4.855 16.386 -13.418 1.00 14.54 C ATOM 400 OG1 THR A 54 5.609 16.177 -12.190 1.00 15.99 O ATOM 401 CG2 THR A 54 3.659 17.390 -13.083 1.00 15.08 C ATOM 0 H THR A 54 3.844 14.067 -12.230 1.00 17.32 H new ATOM 0 HA THR A 54 3.718 15.245 -14.647 1.00 15.44 H new ATOM 0 HB THR A 54 5.414 16.758 -14.118 1.00 14.54 H new ATOM 0 HG1 THR A 54 6.403 16.426 -12.303 1.00 15.99 H new ATOM 0 HG21 THR A 54 4.022 18.238 -12.783 1.00 15.08 H new ATOM 0 HG22 THR A 54 3.123 17.532 -13.879 1.00 15.08 H new ATOM 0 HG23 THR A 54 3.104 17.011 -12.384 1.00 15.08 H new ATOM 402 N ASP A 55 5.893 14.339 -15.567 1.00 16.84 N ATOM 403 CA ASP A 55 7.031 13.592 -16.134 1.00 21.84 C ATOM 404 C ASP A 55 6.959 12.091 -15.999 1.00 20.91 C ATOM 405 O ASP A 55 7.784 11.483 -15.320 1.00 18.77 O ATOM 406 CB ASP A 55 8.326 14.088 -15.471 1.00 25.94 C ATOM 407 CG ASP A 55 8.657 15.524 -15.877 1.00 31.95 C ATOM 408 OD1 ASP A 55 8.730 15.798 -17.097 1.00 42.62 O ATOM 409 OD2 ASP A 55 8.797 16.377 -15.006 1.00 35.43 O ATOM 0 H ASP A 55 5.553 14.923 -16.099 1.00 16.84 H new ATOM 0 HA ASP A 55 7.007 13.766 -17.088 1.00 21.84 H new ATOM 0 HB2 ASP A 55 8.236 14.037 -14.507 1.00 25.94 H new ATOM 0 HB3 ASP A 55 9.060 13.504 -15.718 1.00 25.94 H new ATOM 410 N CYS A 56 5.980 11.510 -16.675 1.00 22.16 N ATOM 411 CA CYS A 56 5.704 10.105 -16.572 1.00 22.32 C ATOM 412 C CYS A 56 6.225 9.450 -17.869 1.00 23.26 C ATOM 413 O CYS A 56 6.247 10.091 -18.935 1.00 19.76 O ATOM 414 CB CYS A 56 4.203 9.821 -16.523 1.00 21.94 C ATOM 415 SG CYS A 56 3.372 10.521 -15.078 1.00 18.87 S ATOM 0 H CYS A 56 5.456 11.932 -17.210 1.00 22.16 H new ATOM 0 HA CYS A 56 6.120 9.766 -15.764 1.00 22.32 H new ATOM 0 HB2 CYS A 56 3.789 10.175 -17.326 1.00 21.94 H new ATOM 0 HB3 CYS A 56 4.064 8.861 -16.532 1.00 21.94 H new ATOM 416 N TYR A 57 6.577 8.184 -17.744 1.00 22.81 N ATOM 417 CA TYR A 57 6.940 7.306 -18.850 1.00 26.85 C ATOM 418 C TYR A 57 6.163 6.057 -18.563 1.00 26.60 C ATOM 419 O TYR A 57 6.263 5.530 -17.465 1.00 28.42 O ATOM 420 CB TYR A 57 8.482 7.046 -18.865 1.00 31.60 C ATOM 421 CG TYR A 57 9.206 8.356 -19.196 1.00 41.51 C ATOM 422 CD1 TYR A 57 9.548 9.245 -18.152 1.00 45.36 C ATOM 423 CD2 TYR A 57 9.466 8.792 -20.584 1.00 46.89 C ATOM 424 CE1 TYR A 57 10.140 10.474 -18.419 1.00 45.98 C ATOM 425 CE2 TYR A 57 10.083 10.051 -20.860 1.00 41.32 C ATOM 426 CZ TYR A 57 10.414 10.871 -19.754 1.00 46.49 C ATOM 427 OH TYR A 57 11.013 12.112 -19.827 1.00 54.00 O ATOM 0 H TYR A 57 6.614 7.791 -16.980 1.00 22.81 H new ATOM 0 HA TYR A 57 6.737 7.675 -19.724 1.00 26.85 H new ATOM 0 HB2 TYR A 57 8.774 6.711 -18.003 1.00 31.60 H new ATOM 0 HB3 TYR A 57 8.701 6.367 -19.522 1.00 31.60 H new ATOM 0 HD1 TYR A 57 9.374 9.004 -17.271 1.00 45.36 H new ATOM 0 HD2 TYR A 57 9.224 8.237 -21.290 1.00 46.89 H new ATOM 0 HE1 TYR A 57 10.359 11.042 -17.716 1.00 45.98 H new ATOM 0 HE2 TYR A 57 10.260 10.321 -21.732 1.00 41.32 H new ATOM 0 HH TYR A 57 11.158 12.307 -20.631 1.00 54.00 H new ATOM 428 N PHE A 58 5.355 5.596 -19.520 1.00 24.83 N ATOM 429 CA PHE A 58 4.665 4.320 -19.383 1.00 26.59 C ATOM 430 C PHE A 58 4.929 3.486 -20.635 1.00 31.80 C ATOM 431 O PHE A 58 5.255 4.030 -21.692 1.00 36.78 O ATOM 432 CB PHE A 58 3.138 4.507 -19.190 1.00 25.23 C ATOM 433 CG PHE A 58 2.769 5.236 -17.913 1.00 23.72 C ATOM 434 CD1 PHE A 58 2.823 4.586 -16.681 1.00 22.32 C ATOM 435 CD2 PHE A 58 2.401 6.588 -17.950 1.00 22.80 C ATOM 436 CE1 PHE A 58 2.538 5.283 -15.504 1.00 23.36 C ATOM 437 CE2 PHE A 58 2.098 7.273 -16.812 1.00 20.35 C ATOM 438 CZ PHE A 58 2.130 6.641 -15.578 1.00 20.93 C ATOM 0 H PHE A 58 5.195 6.011 -20.256 1.00 24.83 H new ATOM 0 HA PHE A 58 5.004 3.870 -18.593 1.00 26.59 H new ATOM 0 HB2 PHE A 58 2.782 4.998 -19.947 1.00 25.23 H new ATOM 0 HB3 PHE A 58 2.711 3.636 -19.191 1.00 25.23 H new ATOM 0 HD1 PHE A 58 3.050 3.685 -16.642 1.00 22.32 H new ATOM 0 HD2 PHE A 58 2.363 7.027 -18.769 1.00 22.80 H new ATOM 0 HE1 PHE A 58 2.615 4.861 -14.679 1.00 23.36 H new ATOM 0 HE2 PHE A 58 1.868 8.173 -16.863 1.00 20.35 H new ATOM 0 HZ PHE A 58 1.887 7.102 -14.807 1.00 20.93 H new ATOM 439 N ASP A 59 4.833 2.178 -20.509 1.00 38.59 N ATOM 440 CA ASP A 59 4.961 1.312 -21.688 1.00 41.30 C ATOM 441 C ASP A 59 3.574 0.932 -22.198 1.00 46.23 C ATOM 442 O ASP A 59 2.540 1.451 -21.696 1.00 36.25 O ATOM 443 CB ASP A 59 5.835 0.092 -21.379 1.00 40.92 C ATOM 444 CG ASP A 59 5.233 -0.843 -20.334 1.00 47.78 C ATOM 445 OD1 ASP A 59 3.986 -0.912 -20.079 1.00 40.13 O ATOM 446 OD2 ASP A 59 6.073 -1.566 -19.764 1.00 53.76 O ATOM 0 H ASP A 59 4.696 1.766 -19.767 1.00 38.59 H new ATOM 0 HA ASP A 59 5.412 1.795 -22.398 1.00 41.30 H new ATOM 0 HB2 ASP A 59 5.985 -0.405 -22.198 1.00 40.92 H new ATOM 0 HB3 ASP A 59 6.703 0.395 -21.069 1.00 40.92 H new ATOM 447 N ASP A 60 3.547 0.008 -23.161 1.00 51.73 N ATOM 448 CA ASP A 60 2.294 -0.464 -23.752 1.00 59.75 C ATOM 449 C ASP A 60 1.322 -1.094 -22.795 1.00 54.36 C ATOM 450 O ASP A 60 0.116 -1.013 -23.023 1.00 60.29 O ATOM 451 CB ASP A 60 2.571 -1.451 -24.876 1.00 74.12 C ATOM 452 CG ASP A 60 3.271 -0.800 -26.034 1.00 88.50 C ATOM 453 OD1 ASP A 60 2.890 0.352 -26.419 1.00 75.73 O ATOM 454 OD2 ASP A 60 4.213 -1.457 -26.541 1.00100.51 O ATOM 0 H ASP A 60 4.252 -0.361 -23.488 1.00 51.73 H new ATOM 0 HA ASP A 60 1.870 0.345 -24.079 1.00 59.75 H new ATOM 0 HB2 ASP A 60 3.114 -2.180 -24.539 1.00 74.12 H new ATOM 0 HB3 ASP A 60 1.735 -1.837 -25.180 1.00 74.12 H new ATOM 455 N SER A 61 1.834 -1.724 -21.738 1.00 50.36 N ATOM 456 CA SER A 61 0.967 -2.296 -20.705 1.00 51.91 C ATOM 457 C SER A 61 0.534 -1.291 -19.580 1.00 46.58 C ATOM 458 O SER A 61 -0.144 -1.691 -18.648 1.00 44.66 O ATOM 459 CB SER A 61 1.639 -3.541 -20.119 1.00 52.90 C ATOM 460 OG SER A 61 2.681 -3.166 -19.215 1.00 58.08 O ATOM 0 H SER A 61 2.676 -1.831 -21.600 1.00 50.36 H new ATOM 0 HA SER A 61 0.134 -2.536 -21.140 1.00 51.91 H new ATOM 0 HB2 SER A 61 0.981 -4.083 -19.656 1.00 52.90 H new ATOM 0 HB3 SER A 61 2.004 -4.086 -20.834 1.00 52.90 H new ATOM 0 HG SER A 61 3.065 -2.476 -19.501 1.00 58.08 H new ATOM 461 N GLY A 62 0.900 -0.007 -19.692 1.00 43.76 N ATOM 462 CA GLY A 62 0.492 1.035 -18.716 1.00 39.14 C ATOM 463 C GLY A 62 1.262 0.951 -17.394 1.00 37.06 C ATOM 464 O GLY A 62 0.694 1.217 -16.326 1.00 32.26 O ATOM 0 H GLY A 62 1.391 0.290 -20.333 1.00 43.76 H new ATOM 0 HA2 GLY A 62 0.629 1.911 -19.109 1.00 39.14 H new ATOM 0 HA3 GLY A 62 -0.458 0.950 -18.537 1.00 39.14 H new ATOM 465 N SER A 63 2.548 0.551 -17.499 1.00 34.58 N ATOM 466 CA SER A 63 3.511 0.411 -16.396 1.00 34.00 C ATOM 467 C SER A 63 4.704 1.310 -16.643 1.00 32.29 C ATOM 468 O SER A 63 5.179 1.441 -17.767 1.00 29.33 O ATOM 469 CB SER A 63 4.009 -1.032 -16.211 1.00 39.24 C ATOM 470 OG SER A 63 3.469 -1.618 -15.035 1.00 48.85 O ATOM 0 H SER A 63 2.894 0.345 -18.259 1.00 34.58 H new ATOM 0 HA SER A 63 3.044 0.666 -15.585 1.00 34.00 H new ATOM 0 HB2 SER A 63 3.760 -1.564 -16.983 1.00 39.24 H new ATOM 0 HB3 SER A 63 4.978 -1.038 -16.162 1.00 39.24 H new ATOM 0 HG SER A 63 3.754 -2.404 -14.957 1.00 48.85 H new ATOM 471 N GLY A 64 5.168 1.986 -15.587 1.00 30.82 N ATOM 472 CA GLY A 64 6.297 2.905 -15.770 1.00 25.77 C ATOM 473 C GLY A 64 6.501 3.688 -14.495 1.00 24.56 C ATOM 474 O GLY A 64 6.422 3.104 -13.422 1.00 22.47 O ATOM 0 H GLY A 64 4.858 1.932 -14.787 1.00 30.82 H new ATOM 0 HA2 GLY A 64 7.101 2.409 -15.992 1.00 25.77 H new ATOM 0 HA3 GLY A 64 6.123 3.508 -16.510 1.00 25.77 H new ATOM 475 N ILE A 65 6.727 5.000 -14.612 1.00 21.13 N ATOM 476 CA ILE A 65 7.144 5.794 -13.438 1.00 21.04 C ATOM 477 C ILE A 65 6.808 7.277 -13.740 1.00 23.11 C ATOM 478 O ILE A 65 6.898 7.701 -14.915 1.00 22.08 O ATOM 479 CB ILE A 65 8.680 5.666 -13.097 1.00 22.06 C ATOM 480 CG1 ILE A 65 8.908 6.258 -11.704 1.00 24.90 C ATOM 481 CG2 ILE A 65 9.571 6.181 -14.255 1.00 22.48 C ATOM 482 CD1 ILE A 65 10.111 5.787 -10.997 1.00 29.49 C ATOM 0 H ILE A 65 6.648 5.446 -15.343 1.00 21.13 H new ATOM 0 HA ILE A 65 6.669 5.455 -12.663 1.00 21.04 H new ATOM 0 HB ILE A 65 8.968 4.742 -13.035 1.00 22.06 H new ATOM 0 HG12 ILE A 65 8.958 7.223 -11.785 1.00 24.90 H new ATOM 0 HG13 ILE A 65 8.133 6.060 -11.156 1.00 24.90 H new ATOM 0 HG21 ILE A 65 10.505 6.087 -14.011 1.00 22.48 H new ATOM 0 HG22 ILE A 65 9.393 5.663 -15.056 1.00 22.48 H new ATOM 0 HG23 ILE A 65 9.374 7.115 -14.424 1.00 22.48 H new ATOM 0 HD11 ILE A 65 10.166 6.217 -10.129 1.00 29.49 H new ATOM 0 HD12 ILE A 65 10.061 4.826 -10.878 1.00 29.49 H new ATOM 0 HD13 ILE A 65 10.899 6.007 -11.517 1.00 29.49 H new ATOM 483 N CYS A 66 6.475 8.041 -12.673 1.00 20.71 N ATOM 484 CA CYS A 66 6.261 9.507 -12.757 1.00 18.31 C ATOM 485 C CYS A 66 7.129 10.141 -11.689 1.00 18.11 C ATOM 486 O CYS A 66 7.347 9.525 -10.610 1.00 20.74 O ATOM 487 CB CYS A 66 4.807 9.819 -12.418 1.00 18.60 C ATOM 488 SG CYS A 66 3.615 9.132 -13.604 1.00 20.97 S ATOM 0 H CYS A 66 6.368 7.722 -11.882 1.00 20.71 H new ATOM 0 HA CYS A 66 6.474 9.836 -13.644 1.00 18.31 H new ATOM 0 HB2 CYS A 66 4.608 9.472 -11.534 1.00 18.60 H new ATOM 0 HB3 CYS A 66 4.692 10.781 -12.377 1.00 18.60 H new ATOM 489 N LYS A 67 7.604 11.360 -11.949 1.00 18.93 N ATOM 490 CA LYS A 67 8.450 12.130 -11.000 1.00 19.26 C ATOM 491 C LYS A 67 7.672 12.678 -9.888 1.00 19.16 C ATOM 492 O LYS A 67 8.225 12.830 -8.807 1.00 20.24 O ATOM 493 CB LYS A 67 9.180 13.310 -11.692 1.00 21.25 C ATOM 494 CG LYS A 67 10.157 12.758 -12.629 1.00 22.47 C ATOM 495 CD LYS A 67 11.455 13.493 -12.578 1.00 28.83 C ATOM 496 CE LYS A 67 12.283 12.874 -13.700 1.00 30.42 C ATOM 497 NZ LYS A 67 13.431 13.820 -13.777 1.00 39.68 N ATOM 0 H LYS A 67 7.448 11.776 -12.685 1.00 18.93 H new ATOM 0 HA LYS A 67 9.100 11.493 -10.665 1.00 19.26 H new ATOM 0 HB2 LYS A 67 8.544 13.873 -12.160 1.00 21.25 H new ATOM 0 HB3 LYS A 67 9.622 13.868 -11.033 1.00 21.25 H new ATOM 0 HG2 LYS A 67 10.308 11.822 -12.424 1.00 22.47 H new ATOM 0 HG3 LYS A 67 9.799 12.797 -13.530 1.00 22.47 H new ATOM 0 HD2 LYS A 67 11.328 14.445 -12.715 1.00 28.83 H new ATOM 0 HD3 LYS A 67 11.889 13.386 -11.717 1.00 28.83 H new ATOM 0 HE2 LYS A 67 12.567 11.971 -13.489 1.00 30.42 H new ATOM 0 HE3 LYS A 67 11.791 12.828 -14.535 1.00 30.42 H new ATOM 0 HZ1 LYS A 67 13.993 13.553 -14.413 1.00 39.68 H new ATOM 0 HZ2 LYS A 67 13.131 14.636 -13.969 1.00 39.68 H new ATOM 0 HZ3 LYS A 67 13.855 13.837 -12.995 1.00 39.68 H new ATOM 498 N THR A 68 6.365 12.958 -10.063 1.00 16.72 N ATOM 499 CA THR A 68 5.566 13.339 -8.874 1.00 15.14 C ATOM 500 C THR A 68 4.266 12.557 -8.967 1.00 17.38 C ATOM 501 O THR A 68 3.802 12.297 -10.117 1.00 15.36 O ATOM 502 CB THR A 68 5.239 14.873 -8.800 1.00 17.93 C ATOM 503 OG1 THR A 68 4.461 15.299 -9.926 1.00 17.23 O ATOM 504 CG2 THR A 68 6.472 15.727 -8.750 1.00 15.75 C ATOM 0 H THR A 68 5.942 12.937 -10.812 1.00 16.72 H new ATOM 0 HA THR A 68 6.079 13.138 -8.076 1.00 15.14 H new ATOM 0 HB THR A 68 4.738 14.987 -7.977 1.00 17.93 H new ATOM 0 HG1 THR A 68 4.974 15.542 -10.545 1.00 17.23 H new ATOM 0 HG21 THR A 68 6.217 16.662 -8.705 1.00 15.75 H new ATOM 0 HG22 THR A 68 6.994 15.497 -7.965 1.00 15.75 H new ATOM 0 HG23 THR A 68 7.004 15.575 -9.547 1.00 15.75 H new ATOM 505 N GLY A 69 3.693 12.201 -7.806 1.00 14.83 N ATOM 506 CA GLY A 69 2.385 11.529 -7.771 1.00 15.68 C ATOM 507 C GLY A 69 2.302 10.119 -8.281 1.00 15.53 C ATOM 508 O GLY A 69 1.194 9.608 -8.464 1.00 16.50 O ATOM 0 H GLY A 69 4.044 12.339 -7.033 1.00 14.83 H new ATOM 0 HA2 GLY A 69 2.074 11.531 -6.852 1.00 15.68 H new ATOM 0 HA3 GLY A 69 1.761 12.067 -8.283 1.00 15.68 H new ATOM 509 N ASP A 70 3.431 9.421 -8.431 1.00 16.01 N ATOM 510 CA ASP A 70 3.408 8.076 -8.983 1.00 15.51 C ATOM 511 C ASP A 70 2.553 7.115 -8.087 1.00 17.16 C ATOM 512 O ASP A 70 2.617 7.234 -6.832 1.00 20.11 O ATOM 513 CB ASP A 70 4.836 7.564 -9.035 1.00 16.10 C ATOM 514 CG ASP A 70 4.942 6.226 -9.781 1.00 19.75 C ATOM 515 OD1 ASP A 70 4.600 6.152 -10.972 1.00 24.30 O ATOM 516 OD2 ASP A 70 5.245 5.249 -9.101 1.00 23.65 O ATOM 0 H ASP A 70 4.213 9.711 -8.219 1.00 16.01 H new ATOM 0 HA ASP A 70 3.011 8.100 -9.868 1.00 15.51 H new ATOM 0 HB2 ASP A 70 5.399 8.222 -9.472 1.00 16.10 H new ATOM 0 HB3 ASP A 70 5.173 7.457 -8.132 1.00 16.10 H new ATOM 517 N CYS A 71 1.708 6.244 -8.668 1.00 19.04 N ATOM 518 CA CYS A 71 0.798 5.414 -7.787 1.00 22.66 C ATOM 519 C CYS A 71 1.279 3.974 -8.086 1.00 23.52 C ATOM 520 O CYS A 71 0.671 3.269 -8.889 1.00 25.85 O ATOM 521 CB CYS A 71 -0.713 5.577 -8.141 1.00 19.17 C ATOM 522 SG CYS A 71 -1.021 5.364 -9.910 1.00 22.49 S ATOM 0 H CYS A 71 1.634 6.110 -9.514 1.00 19.04 H new ATOM 0 HA CYS A 71 0.851 5.673 -6.854 1.00 22.66 H new ATOM 0 HB2 CYS A 71 -1.233 4.927 -7.642 1.00 19.17 H new ATOM 0 HB3 CYS A 71 -1.016 6.456 -7.864 1.00 19.17 H new ATOM 523 N GLY A 72 2.423 3.595 -7.514 1.00 23.40 N ATOM 524 CA GLY A 72 3.017 2.286 -7.732 1.00 23.39 C ATOM 525 C GLY A 72 3.310 1.938 -9.195 1.00 28.22 C ATOM 526 O GLY A 72 3.172 0.788 -9.573 1.00 28.22 O ATOM 0 H GLY A 72 2.876 4.099 -6.985 1.00 23.40 H new ATOM 0 HA2 GLY A 72 3.846 2.235 -7.230 1.00 23.39 H new ATOM 0 HA3 GLY A 72 2.422 1.612 -7.367 1.00 23.39 H new ATOM 527 N GLY A 73 3.722 2.889 -10.038 1.00 23.20 N ATOM 528 CA GLY A 73 4.116 2.538 -11.385 1.00 25.28 C ATOM 529 C GLY A 73 3.028 2.321 -12.428 1.00 26.25 C ATOM 530 O GLY A 73 3.327 1.976 -13.535 1.00 30.50 O ATOM 0 H GLY A 73 3.777 3.726 -9.846 1.00 23.20 H new ATOM 0 HA2 GLY A 73 4.703 3.238 -11.712 1.00 25.28 H new ATOM 0 HA3 GLY A 73 4.643 1.725 -11.336 1.00 25.28 H new ATOM 531 N LEU A 74 1.773 2.560 -12.089 1.00 25.23 N ATOM 532 CA LEU A 74 0.666 2.264 -12.982 1.00 24.65 C ATOM 533 C LEU A 74 0.163 3.574 -13.651 1.00 25.12 C ATOM 534 O LEU A 74 0.081 4.622 -13.015 1.00 21.87 O ATOM 535 CB LEU A 74 -0.496 1.613 -12.214 1.00 24.36 C ATOM 536 CG LEU A 74 -0.184 0.266 -11.523 1.00 28.50 C ATOM 537 CD1 LEU A 74 -1.375 -0.316 -10.798 1.00 31.95 C ATOM 538 CD2 LEU A 74 0.391 -0.726 -12.523 1.00 27.32 C ATOM 0 H LEU A 74 1.538 2.899 -11.334 1.00 25.23 H new ATOM 0 HA LEU A 74 0.981 1.646 -13.660 1.00 24.65 H new ATOM 0 HB2 LEU A 74 -0.804 2.238 -11.539 1.00 24.36 H new ATOM 0 HB3 LEU A 74 -1.232 1.476 -12.831 1.00 24.36 H new ATOM 0 HG LEU A 74 0.483 0.447 -10.842 1.00 28.50 H new ATOM 0 HD11 LEU A 74 -1.123 -1.157 -10.385 1.00 31.95 H new ATOM 0 HD12 LEU A 74 -1.672 0.304 -10.114 1.00 31.95 H new ATOM 0 HD13 LEU A 74 -2.095 -0.469 -11.429 1.00 31.95 H new ATOM 0 HD21 LEU A 74 0.581 -1.565 -12.074 1.00 27.32 H new ATOM 0 HD22 LEU A 74 -0.251 -0.878 -13.234 1.00 27.32 H new ATOM 0 HD23 LEU A 74 1.210 -0.368 -12.899 1.00 27.32 H new ATOM 539 N LEU A 75 -0.223 3.476 -14.911 1.00 22.54 N ATOM 540 CA LEU A 75 -1.006 4.526 -15.582 1.00 23.16 C ATOM 541 C LEU A 75 -2.364 4.676 -14.912 1.00 24.43 C ATOM 542 O LEU A 75 -2.755 5.776 -14.499 1.00 23.97 O ATOM 543 CB LEU A 75 -1.117 4.206 -17.077 1.00 22.13 C ATOM 544 CG LEU A 75 -1.985 5.158 -17.908 1.00 23.72 C ATOM 545 CD1 LEU A 75 -1.465 6.629 -17.859 1.00 25.85 C ATOM 546 CD2 LEU A 75 -2.013 4.644 -19.338 1.00 23.15 C ATOM 0 H LEU A 75 -0.043 2.800 -15.412 1.00 22.54 H new ATOM 0 HA LEU A 75 -0.556 5.382 -15.500 1.00 23.16 H new ATOM 0 HB2 LEU A 75 -0.224 4.199 -17.455 1.00 22.13 H new ATOM 0 HB3 LEU A 75 -1.472 3.308 -17.172 1.00 22.13 H new ATOM 0 HG LEU A 75 -2.880 5.175 -17.535 1.00 23.72 H new ATOM 0 HD11 LEU A 75 -2.042 7.194 -18.396 1.00 25.85 H new ATOM 0 HD12 LEU A 75 -1.469 6.943 -16.941 1.00 25.85 H new ATOM 0 HD13 LEU A 75 -0.561 6.665 -18.209 1.00 25.85 H new ATOM 0 HD21 LEU A 75 -2.558 5.233 -19.883 1.00 23.15 H new ATOM 0 HD22 LEU A 75 -1.110 4.621 -19.691 1.00 23.15 H new ATOM 0 HD23 LEU A 75 -2.389 3.750 -19.353 1.00 23.15 H new ATOM 547 N ARG A 76 -3.042 3.542 -14.655 1.00 21.90 N ATOM 548 CA ARG A 76 -4.369 3.590 -14.049 1.00 24.19 C ATOM 549 C ARG A 76 -4.317 3.397 -12.587 1.00 26.27 C ATOM 550 O ARG A 76 -4.289 2.250 -12.149 1.00 30.09 O ATOM 551 CB ARG A 76 -5.245 2.500 -14.679 1.00 27.02 C ATOM 552 CG ARG A 76 -5.530 2.784 -16.114 1.00 35.38 C ATOM 553 CD ARG A 76 -6.016 1.509 -16.744 1.00 46.08 C ATOM 554 NE ARG A 76 -6.736 1.882 -17.940 1.00 70.16 N ATOM 555 CZ ARG A 76 -6.208 1.905 -19.167 1.00 85.66 C ATOM 556 NH1 ARG A 76 -4.923 1.568 -19.385 1.00 90.59 N ATOM 557 NH2 ARG A 76 -6.981 2.262 -20.188 1.00 93.63 N ATOM 0 H ARG A 76 -2.750 2.751 -14.824 1.00 21.90 H new ATOM 0 HA ARG A 76 -4.744 4.469 -14.215 1.00 24.19 H new ATOM 0 HB2 ARG A 76 -4.800 1.642 -14.601 1.00 27.02 H new ATOM 0 HB3 ARG A 76 -6.080 2.433 -14.190 1.00 27.02 H new ATOM 0 HG2 ARG A 76 -6.199 3.481 -16.197 1.00 35.38 H new ATOM 0 HG3 ARG A 76 -4.731 3.103 -16.563 1.00 35.38 H new ATOM 0 HD2 ARG A 76 -5.271 0.926 -16.959 1.00 46.08 H new ATOM 0 HD3 ARG A 76 -6.591 1.021 -16.134 1.00 46.08 H new ATOM 0 HE ARG A 76 -7.562 2.105 -17.856 1.00 70.16 H new ATOM 0 HH11 ARG A 76 -4.423 1.331 -18.727 1.00 90.59 H new ATOM 0 HH12 ARG A 76 -4.602 1.589 -20.183 1.00 90.59 H new ATOM 0 HH21 ARG A 76 -7.804 2.472 -20.052 1.00 93.63 H new ATOM 0 HH22 ARG A 76 -6.658 2.283 -20.985 1.00 93.63 H new ATOM 558 N CYS A 77 -4.325 4.487 -11.782 1.00 23.63 N ATOM 559 CA CYS A 77 -4.108 4.350 -10.330 1.00 23.74 C ATOM 560 C CYS A 77 -5.203 3.619 -9.555 1.00 29.11 C ATOM 561 O CYS A 77 -6.387 3.938 -9.738 1.00 31.41 O ATOM 562 CB CYS A 77 -3.946 5.723 -9.647 1.00 22.24 C ATOM 563 SG CYS A 77 -2.538 6.591 -10.369 1.00 22.32 S ATOM 0 H CYS A 77 -4.452 5.293 -12.055 1.00 23.63 H new ATOM 0 HA CYS A 77 -3.301 3.813 -10.293 1.00 23.74 H new ATOM 0 HB2 CYS A 77 -4.754 6.248 -9.759 1.00 22.24 H new ATOM 0 HB3 CYS A 77 -3.813 5.607 -8.693 1.00 22.24 H new ATOM 564 N LYS A 78 -4.780 2.697 -8.670 1.00 26.22 N ATOM 565 CA LYS A 78 -5.635 1.979 -7.727 1.00 30.91 C ATOM 566 C LYS A 78 -5.420 2.553 -6.366 1.00 30.88 C ATOM 567 O LYS A 78 -6.315 2.505 -5.520 1.00 39.30 O ATOM 568 CB LYS A 78 -5.287 0.479 -7.680 1.00 34.67 C ATOM 569 CG LYS A 78 -5.991 -0.341 -8.741 1.00 44.98 C ATOM 570 CD LYS A 78 -5.084 -1.455 -9.276 1.00 59.48 C ATOM 571 CE LYS A 78 -5.423 -1.830 -10.736 1.00 72.04 C ATOM 572 NZ LYS A 78 -5.372 -0.705 -11.751 1.00 65.98 N ATOM 0 H LYS A 78 -3.953 2.470 -8.607 1.00 26.22 H new ATOM 0 HA LYS A 78 -6.557 2.073 -8.014 1.00 30.91 H new ATOM 0 HB2 LYS A 78 -4.328 0.374 -7.784 1.00 34.67 H new ATOM 0 HB3 LYS A 78 -5.518 0.129 -6.805 1.00 34.67 H new ATOM 0 HG2 LYS A 78 -6.799 -0.729 -8.370 1.00 44.98 H new ATOM 0 HG3 LYS A 78 -6.263 0.236 -9.471 1.00 44.98 H new ATOM 0 HD2 LYS A 78 -4.158 -1.170 -9.223 1.00 59.48 H new ATOM 0 HD3 LYS A 78 -5.172 -2.240 -8.713 1.00 59.48 H new ATOM 0 HE2 LYS A 78 -4.809 -2.525 -11.022 1.00 72.04 H new ATOM 0 HE3 LYS A 78 -6.314 -2.214 -10.752 1.00 72.04 H new ATOM 0 HZ1 LYS A 78 -4.792 -0.911 -12.394 1.00 65.98 H new ATOM 0 HZ2 LYS A 78 -6.180 -0.589 -12.106 1.00 65.98 H new ATOM 0 HZ3 LYS A 78 -5.114 0.046 -11.349 1.00 65.98 H new ATOM 573 N ARG A 79 -4.230 3.105 -6.136 1.00 30.89 N ATOM 574 CA ARG A 79 -3.793 3.576 -4.813 1.00 30.55 C ATOM 575 C ARG A 79 -3.497 5.083 -4.944 1.00 29.68 C ATOM 576 O ARG A 79 -3.414 5.608 -6.070 1.00 26.02 O ATOM 577 CB ARG A 79 -2.502 2.867 -4.396 1.00 32.83 C ATOM 578 CG ARG A 79 -2.590 1.352 -4.374 1.00 51.89 C ATOM 579 CD ARG A 79 -3.034 0.870 -2.999 1.00 65.59 C ATOM 580 NE ARG A 79 -3.995 -0.244 -3.006 1.00 81.52 N ATOM 581 CZ ARG A 79 -4.620 -0.709 -1.912 1.00 94.11 C ATOM 582 NH1 ARG A 79 -4.405 -0.166 -0.707 1.00 92.84 N ATOM 583 NH2 ARG A 79 -5.474 -1.724 -2.013 1.00 96.84 N ATOM 0 H ARG A 79 -3.641 3.220 -6.752 1.00 30.89 H new ATOM 0 HA ARG A 79 -4.479 3.395 -4.151 1.00 30.55 H new ATOM 0 HB2 ARG A 79 -1.793 3.129 -5.004 1.00 32.83 H new ATOM 0 HB3 ARG A 79 -2.248 3.177 -3.513 1.00 32.83 H new ATOM 0 HG2 ARG A 79 -3.217 1.048 -5.049 1.00 51.89 H new ATOM 0 HG3 ARG A 79 -1.727 0.968 -4.595 1.00 51.89 H new ATOM 0 HD2 ARG A 79 -2.249 0.598 -2.498 1.00 65.59 H new ATOM 0 HD3 ARG A 79 -3.430 1.617 -2.523 1.00 65.59 H new ATOM 0 HE ARG A 79 -4.168 -0.622 -3.759 1.00 81.52 H new ATOM 0 HH11 ARG A 79 -3.858 0.493 -0.624 1.00 92.84 H new ATOM 0 HH12 ARG A 79 -4.814 -0.476 -0.017 1.00 92.84 H new ATOM 0 HH21 ARG A 79 -5.626 -2.083 -2.779 1.00 96.84 H new ATOM 0 HH22 ARG A 79 -5.874 -2.021 -1.312 1.00 96.84 H new ATOM 584 N PHE A 80 -3.329 5.755 -3.803 1.00 23.72 N ATOM 585 CA PHE A 80 -2.847 7.151 -3.804 1.00 25.51 C ATOM 586 C PHE A 80 -1.411 7.333 -4.309 1.00 23.18 C ATOM 587 O PHE A 80 -0.591 6.394 -4.324 1.00 22.83 O ATOM 588 CB PHE A 80 -3.061 7.791 -2.455 1.00 22.91 C ATOM 589 CG PHE A 80 -4.502 7.835 -2.020 1.00 21.89 C ATOM 590 CD1 PHE A 80 -5.529 8.217 -2.928 1.00 22.69 C ATOM 591 CD2 PHE A 80 -4.846 7.557 -0.683 1.00 23.62 C ATOM 592 CE1 PHE A 80 -6.870 8.263 -2.517 1.00 21.54 C ATOM 593 CE2 PHE A 80 -6.206 7.639 -0.247 1.00 24.73 C ATOM 594 CZ PHE A 80 -7.203 8.008 -1.181 1.00 23.30 C ATOM 0 H PHE A 80 -3.485 5.430 -3.022 1.00 23.72 H new ATOM 0 HA PHE A 80 -3.390 7.617 -4.459 1.00 25.51 H new ATOM 0 HB2 PHE A 80 -2.547 7.305 -1.791 1.00 22.91 H new ATOM 0 HB3 PHE A 80 -2.712 8.696 -2.477 1.00 22.91 H new ATOM 0 HD1 PHE A 80 -5.309 8.439 -3.804 1.00 22.69 H new ATOM 0 HD2 PHE A 80 -4.182 7.318 -0.077 1.00 23.62 H new ATOM 0 HE1 PHE A 80 -7.538 8.463 -3.132 1.00 21.54 H new ATOM 0 HE2 PHE A 80 -6.431 7.453 0.636 1.00 24.73 H new ATOM 0 HZ PHE A 80 -8.088 8.082 -0.905 1.00 23.30 H new ATOM 595 N GLY A 81 -1.109 8.539 -4.744 1.00 21.03 N ATOM 596 CA GLY A 81 0.191 8.805 -5.312 1.00 18.78 C ATOM 597 C GLY A 81 1.240 9.268 -4.326 1.00 18.99 C ATOM 598 O GLY A 81 0.950 9.698 -3.217 1.00 18.86 O ATOM 0 H GLY A 81 -1.641 9.215 -4.719 1.00 21.03 H new ATOM 0 HA2 GLY A 81 0.510 7.999 -5.747 1.00 18.78 H new ATOM 0 HA3 GLY A 81 0.095 9.480 -6.002 1.00 18.78 H new ATOM 599 N ARG A 82 2.499 9.162 -4.724 1.00 18.75 N ATOM 600 CA ARG A 82 3.638 9.548 -3.876 1.00 19.90 C ATOM 601 C ARG A 82 3.768 11.098 -3.860 1.00 16.83 C ATOM 602 O ARG A 82 3.703 11.691 -4.934 1.00 17.23 O ATOM 603 CB ARG A 82 4.865 8.913 -4.556 1.00 21.86 C ATOM 604 CG ARG A 82 6.170 9.061 -3.818 1.00 30.96 C ATOM 605 CD ARG A 82 7.106 8.004 -4.444 1.00 38.03 C ATOM 606 NE ARG A 82 8.359 7.952 -3.705 1.00 47.79 N ATOM 607 CZ ARG A 82 9.334 8.867 -3.764 1.00 40.95 C ATOM 608 NH1 ARG A 82 9.277 9.919 -4.557 1.00 42.99 N ATOM 609 NH2 ARG A 82 10.389 8.723 -3.008 1.00 44.90 N ATOM 0 H ARG A 82 2.727 8.863 -5.498 1.00 18.75 H new ATOM 0 HA ARG A 82 3.541 9.254 -2.957 1.00 19.90 H new ATOM 0 HB2 ARG A 82 4.690 7.968 -4.684 1.00 21.86 H new ATOM 0 HB3 ARG A 82 4.965 9.305 -5.438 1.00 21.86 H new ATOM 0 HG2 ARG A 82 6.532 9.955 -3.920 1.00 30.96 H new ATOM 0 HG3 ARG A 82 6.055 8.909 -2.867 1.00 30.96 H new ATOM 0 HD2 ARG A 82 6.678 7.134 -4.432 1.00 38.03 H new ATOM 0 HD3 ARG A 82 7.278 8.223 -5.373 1.00 38.03 H new ATOM 0 HE ARG A 82 8.483 7.277 -3.187 1.00 47.79 H new ATOM 0 HH11 ARG A 82 8.593 10.039 -5.064 1.00 42.99 H new ATOM 0 HH12 ARG A 82 9.924 10.486 -4.567 1.00 42.99 H new ATOM 0 HH21 ARG A 82 10.451 8.046 -2.481 1.00 44.90 H new ATOM 0 HH22 ARG A 82 11.022 9.305 -3.038 1.00 44.90 H new ATOM 610 N PRO A 83 3.873 11.772 -2.666 1.00 16.20 N ATOM 611 CA PRO A 83 4.118 13.236 -2.587 1.00 15.38 C ATOM 612 C PRO A 83 5.349 13.608 -3.465 1.00 16.79 C ATOM 613 O PRO A 83 6.275 12.814 -3.576 1.00 16.73 O ATOM 614 CB PRO A 83 4.390 13.462 -1.088 1.00 19.54 C ATOM 615 CG PRO A 83 3.637 12.354 -0.427 1.00 18.95 C ATOM 616 CD PRO A 83 3.808 11.164 -1.311 1.00 17.23 C ATOM 0 HA PRO A 83 3.386 13.783 -2.912 1.00 15.38 H new ATOM 0 HB2 PRO A 83 5.338 13.420 -0.887 1.00 19.54 H new ATOM 0 HB3 PRO A 83 4.076 14.332 -0.795 1.00 19.54 H new ATOM 0 HG2 PRO A 83 3.983 12.180 0.462 1.00 18.95 H new ATOM 0 HG3 PRO A 83 2.699 12.581 -0.327 1.00 18.95 H new ATOM 0 HD2 PRO A 83 4.615 10.670 -1.098 1.00 17.23 H new ATOM 0 HD3 PRO A 83 3.066 10.544 -1.229 1.00 17.23 H new ATOM 617 N PRO A 84 5.417 14.811 -3.989 1.00 16.02 N ATOM 618 CA PRO A 84 4.470 15.843 -3.643 1.00 15.67 C ATOM 619 C PRO A 84 3.260 15.829 -4.617 1.00 16.61 C ATOM 620 O PRO A 84 3.443 15.659 -5.841 1.00 18.60 O ATOM 621 CB PRO A 84 5.304 17.170 -3.779 1.00 17.05 C ATOM 622 CG PRO A 84 6.388 16.832 -4.809 1.00 18.26 C ATOM 623 CD PRO A 84 6.575 15.314 -4.780 1.00 17.38 C ATOM 0 HA PRO A 84 4.091 15.732 -2.757 1.00 15.67 H new ATOM 0 HB2 PRO A 84 4.749 17.908 -4.078 1.00 17.05 H new ATOM 0 HB3 PRO A 84 5.692 17.433 -2.930 1.00 17.05 H new ATOM 0 HG2 PRO A 84 6.125 17.128 -5.694 1.00 18.26 H new ATOM 0 HG3 PRO A 84 7.219 17.284 -4.594 1.00 18.26 H new ATOM 0 HD2 PRO A 84 6.580 14.941 -5.676 1.00 17.38 H new ATOM 0 HD3 PRO A 84 7.418 15.070 -4.367 1.00 17.38 H new ATOM 624 N THR A 85 2.066 16.043 -4.097 1.00 16.85 N ATOM 625 CA THR A 85 0.853 16.068 -4.910 1.00 14.13 C ATOM 626 C THR A 85 -0.142 17.039 -4.325 1.00 15.30 C ATOM 627 O THR A 85 -0.657 16.754 -3.213 1.00 14.12 O ATOM 628 CB THR A 85 0.114 14.704 -4.879 1.00 16.32 C ATOM 629 OG1 THR A 85 -0.086 14.275 -3.538 1.00 18.41 O ATOM 630 CG2 THR A 85 0.861 13.573 -5.599 1.00 16.81 C ATOM 0 H THR A 85 1.930 16.179 -3.259 1.00 16.85 H new ATOM 0 HA THR A 85 1.137 16.303 -5.807 1.00 14.13 H new ATOM 0 HB THR A 85 -0.723 14.866 -5.341 1.00 16.32 H new ATOM 0 HG1 THR A 85 -0.305 14.932 -3.063 1.00 18.41 H new ATOM 0 HG21 THR A 85 0.344 12.754 -5.540 1.00 16.81 H new ATOM 0 HG22 THR A 85 0.986 13.810 -6.531 1.00 16.81 H new ATOM 0 HG23 THR A 85 1.726 13.439 -5.181 1.00 16.81 H new ATOM 631 N THR A 86 -0.484 18.123 -5.075 1.00 13.15 N ATOM 632 CA THR A 86 -1.665 18.993 -4.741 1.00 14.50 C ATOM 633 C THR A 86 -2.934 18.085 -4.864 1.00 14.58 C ATOM 634 O THR A 86 -3.003 17.295 -5.809 1.00 15.78 O ATOM 635 CB THR A 86 -1.792 20.146 -5.734 1.00 14.11 C ATOM 636 OG1 THR A 86 -0.478 20.614 -5.994 1.00 14.00 O ATOM 637 CG2 THR A 86 -2.692 21.275 -5.138 1.00 14.85 C ATOM 0 H THR A 86 -0.052 18.372 -5.775 1.00 13.15 H new ATOM 0 HA THR A 86 -1.563 19.370 -3.853 1.00 14.50 H new ATOM 0 HB THR A 86 -2.213 19.857 -6.559 1.00 14.11 H new ATOM 0 HG1 THR A 86 -0.490 21.129 -6.657 1.00 14.00 H new ATOM 0 HG21 THR A 86 -2.766 22.001 -5.777 1.00 14.85 H new ATOM 0 HG22 THR A 86 -3.575 20.920 -4.950 1.00 14.85 H new ATOM 0 HG23 THR A 86 -2.295 21.606 -4.317 1.00 14.85 H new ATOM 638 N LEU A 87 -3.835 18.102 -3.888 1.00 15.39 N ATOM 639 CA LEU A 87 -4.944 17.088 -3.906 1.00 15.45 C ATOM 640 C LEU A 87 -6.233 17.763 -3.930 1.00 15.27 C ATOM 641 O LEU A 87 -6.452 18.658 -3.101 1.00 16.63 O ATOM 642 CB LEU A 87 -4.924 16.138 -2.646 1.00 14.99 C ATOM 643 CG LEU A 87 -3.682 15.244 -2.542 1.00 15.89 C ATOM 644 CD1 LEU A 87 -3.675 14.650 -1.136 1.00 16.97 C ATOM 645 CD2 LEU A 87 -3.761 14.180 -3.648 1.00 17.46 C ATOM 0 H LEU A 87 -3.844 18.654 -3.228 1.00 15.39 H new ATOM 0 HA LEU A 87 -4.809 16.550 -4.702 1.00 15.45 H new ATOM 0 HB2 LEU A 87 -4.985 16.681 -1.845 1.00 14.99 H new ATOM 0 HB3 LEU A 87 -5.713 15.574 -2.668 1.00 14.99 H new ATOM 0 HG LEU A 87 -2.851 15.728 -2.672 1.00 15.89 H new ATOM 0 HD11 LEU A 87 -2.900 14.076 -1.031 1.00 16.97 H new ATOM 0 HD12 LEU A 87 -3.637 15.366 -0.482 1.00 16.97 H new ATOM 0 HD13 LEU A 87 -4.483 14.131 -1.000 1.00 16.97 H new ATOM 0 HD21 LEU A 87 -2.983 13.603 -3.599 1.00 17.46 H new ATOM 0 HD22 LEU A 87 -4.564 13.649 -3.530 1.00 17.46 H new ATOM 0 HD23 LEU A 87 -3.786 14.615 -4.515 1.00 17.46 H new ATOM 646 N ALA A 88 -7.110 17.323 -4.856 1.00 14.88 N ATOM 647 CA ALA A 88 -8.543 17.548 -4.772 1.00 15.20 C ATOM 648 C ALA A 88 -9.213 16.369 -4.024 1.00 16.16 C ATOM 649 O ALA A 88 -9.076 15.190 -4.412 1.00 16.65 O ATOM 650 CB ALA A 88 -9.141 17.719 -6.146 1.00 15.07 C ATOM 0 H ALA A 88 -6.872 16.881 -5.554 1.00 14.88 H new ATOM 0 HA ALA A 88 -8.703 18.366 -4.277 1.00 15.20 H new ATOM 0 HB1 ALA A 88 -10.096 17.868 -6.067 1.00 15.07 H new ATOM 0 HB2 ALA A 88 -8.731 18.480 -6.585 1.00 15.07 H new ATOM 0 HB3 ALA A 88 -8.981 16.919 -6.671 1.00 15.07 H new ATOM 651 N GLU A 89 -9.905 16.696 -2.928 1.00 16.56 N ATOM 652 CA GLU A 89 -10.462 15.634 -2.076 1.00 15.83 C ATOM 653 C GLU A 89 -11.968 15.821 -2.013 1.00 16.87 C ATOM 654 O GLU A 89 -12.475 16.972 -1.997 1.00 16.41 O ATOM 655 CB GLU A 89 -9.904 15.733 -0.660 1.00 15.25 C ATOM 656 CG GLU A 89 -8.371 15.954 -0.672 1.00 17.54 C ATOM 657 CD GLU A 89 -7.793 15.850 0.724 1.00 17.75 C ATOM 658 OE1 GLU A 89 -8.173 16.667 1.551 1.00 16.61 O ATOM 659 OE2 GLU A 89 -6.968 14.949 0.967 1.00 20.21 O ATOM 0 H GLU A 89 -10.061 17.500 -2.665 1.00 16.56 H new ATOM 0 HA GLU A 89 -10.227 14.769 -2.447 1.00 15.83 H new ATOM 0 HB2 GLU A 89 -10.335 16.465 -0.191 1.00 15.25 H new ATOM 0 HB3 GLU A 89 -10.112 14.922 -0.171 1.00 15.25 H new ATOM 0 HG2 GLU A 89 -7.951 15.297 -1.249 1.00 17.54 H new ATOM 0 HG3 GLU A 89 -8.170 16.827 -1.044 1.00 17.54 H new ATOM 660 N PHE A 90 -12.678 14.704 -1.935 1.00 18.49 N ATOM 661 CA PHE A 90 -14.148 14.830 -1.944 1.00 21.17 C ATOM 662 C PHE A 90 -14.774 13.636 -1.235 1.00 18.60 C ATOM 663 O PHE A 90 -14.243 12.507 -1.329 1.00 20.74 O ATOM 664 CB PHE A 90 -14.704 14.971 -3.415 1.00 19.16 C ATOM 665 CG PHE A 90 -14.125 13.969 -4.393 1.00 18.88 C ATOM 666 CD1 PHE A 90 -12.964 14.274 -5.110 1.00 20.12 C ATOM 667 CD2 PHE A 90 -14.773 12.758 -4.667 1.00 22.75 C ATOM 668 CE1 PHE A 90 -12.420 13.361 -6.023 1.00 18.43 C ATOM 669 CE2 PHE A 90 -14.245 11.846 -5.609 1.00 21.66 C ATOM 670 CZ PHE A 90 -13.063 12.154 -6.288 1.00 21.83 C ATOM 0 H PHE A 90 -12.363 13.906 -1.879 1.00 18.49 H new ATOM 0 HA PHE A 90 -14.390 15.639 -1.467 1.00 21.17 H new ATOM 0 HB2 PHE A 90 -15.669 14.871 -3.397 1.00 19.16 H new ATOM 0 HB3 PHE A 90 -14.518 15.867 -3.736 1.00 19.16 H new ATOM 0 HD1 PHE A 90 -12.547 15.095 -4.979 1.00 20.12 H new ATOM 0 HD2 PHE A 90 -15.563 12.551 -4.222 1.00 22.75 H new ATOM 0 HE1 PHE A 90 -11.622 13.563 -6.456 1.00 18.43 H new ATOM 0 HE2 PHE A 90 -14.683 11.043 -5.777 1.00 21.66 H new ATOM 0 HZ PHE A 90 -12.710 11.560 -6.910 1.00 21.83 H new ATOM 671 N SER A 91 -15.827 13.923 -0.465 1.00 21.92 N ATOM 672 CA SER A 91 -16.717 12.895 0.030 1.00 22.14 C ATOM 673 C SER A 91 -18.135 13.208 -0.438 1.00 20.79 C ATOM 674 O SER A 91 -18.601 14.374 -0.298 1.00 21.47 O ATOM 675 CB SER A 91 -16.566 12.751 1.555 1.00 23.10 C ATOM 676 OG SER A 91 -15.305 12.127 1.769 1.00 24.81 O ATOM 0 H SER A 91 -16.037 14.720 -0.220 1.00 21.92 H new ATOM 0 HA SER A 91 -16.488 12.025 -0.332 1.00 22.14 H new ATOM 0 HB2 SER A 91 -16.603 13.617 1.991 1.00 23.10 H new ATOM 0 HB3 SER A 91 -17.285 12.216 1.926 1.00 23.10 H new ATOM 0 HG SER A 91 -15.177 12.028 2.593 1.00 24.81 H new ATOM 677 N LEU A 92 -18.744 12.223 -1.143 1.00 18.59 N ATOM 678 CA LEU A 92 -20.022 12.546 -1.847 1.00 21.56 C ATOM 679 C LEU A 92 -21.229 11.938 -1.103 1.00 23.22 C ATOM 680 O LEU A 92 -21.125 10.772 -0.632 1.00 24.70 O ATOM 681 CB LEU A 92 -20.019 12.007 -3.271 1.00 21.61 C ATOM 682 CG LEU A 92 -18.816 12.515 -4.096 1.00 21.75 C ATOM 683 CD1 LEU A 92 -18.853 11.846 -5.450 1.00 19.90 C ATOM 684 CD2 LEU A 92 -18.825 14.033 -4.226 1.00 19.16 C ATOM 0 H LEU A 92 -18.461 11.415 -1.226 1.00 18.59 H new ATOM 0 HA LEU A 92 -20.097 13.513 -1.865 1.00 21.56 H new ATOM 0 HB2 LEU A 92 -20.003 11.037 -3.246 1.00 21.61 H new ATOM 0 HB3 LEU A 92 -20.843 12.266 -3.713 1.00 21.61 H new ATOM 0 HG LEU A 92 -17.991 12.286 -3.640 1.00 21.75 H new ATOM 0 HD11 LEU A 92 -18.103 12.153 -5.984 1.00 19.90 H new ATOM 0 HD12 LEU A 92 -18.797 10.884 -5.338 1.00 19.90 H new ATOM 0 HD13 LEU A 92 -19.683 12.070 -5.899 1.00 19.90 H new ATOM 0 HD21 LEU A 92 -18.059 14.318 -4.748 1.00 19.16 H new ATOM 0 HD22 LEU A 92 -19.640 14.315 -4.669 1.00 19.16 H new ATOM 0 HD23 LEU A 92 -18.782 14.434 -3.344 1.00 19.16 H new ATOM 685 N ASN A 93 -22.344 12.674 -1.104 1.00 22.99 N ATOM 686 CA ASN A 93 -23.661 12.148 -0.579 1.00 24.28 C ATOM 687 C ASN A 93 -23.479 11.636 0.858 1.00 25.54 C ATOM 688 O ASN A 93 -23.723 10.475 1.140 1.00 26.44 O ATOM 689 CB ASN A 93 -24.246 10.997 -1.424 1.00 23.22 C ATOM 690 CG ASN A 93 -24.337 11.340 -2.901 1.00 27.78 C ATOM 691 OD1 ASN A 93 -23.418 10.812 -3.654 1.00 27.89 O flip ATOM 692 ND2 ASN A 93 -25.224 12.109 -3.343 1.00 24.21 N flip ATOM 0 H ASN A 93 -22.381 13.481 -1.399 1.00 22.99 H new ATOM 0 HA ASN A 93 -24.282 12.892 -0.620 1.00 24.28 H new ATOM 0 HB2 ASN A 93 -23.694 10.207 -1.313 1.00 23.22 H new ATOM 0 HB3 ASN A 93 -25.130 10.775 -1.093 1.00 23.22 H new ATOM 0 HD21 ASN A 93 -25.814 12.437 -2.810 1.00 24.21 H new ATOM 0 HD22 ASN A 93 -25.242 12.308 -4.179 1.00 24.21 H new ATOM 693 N GLN A 94 -22.957 12.492 1.712 1.00 24.36 N ATOM 694 CA GLN A 94 -22.683 12.135 3.122 1.00 26.29 C ATOM 695 C GLN A 94 -23.811 12.862 3.839 1.00 25.13 C ATOM 696 O GLN A 94 -23.802 14.107 3.993 1.00 22.43 O ATOM 697 CB GLN A 94 -21.293 12.660 3.578 1.00 26.52 C ATOM 698 CG GLN A 94 -20.168 12.030 2.777 1.00 31.70 C ATOM 699 CD GLN A 94 -20.205 10.511 2.898 1.00 36.25 C ATOM 700 OE1 GLN A 94 -20.344 10.009 4.002 1.00 44.43 O ATOM 701 NE2 GLN A 94 -20.052 9.780 1.803 1.00 38.43 N ATOM 0 H GLN A 94 -22.746 13.300 1.507 1.00 24.36 H new ATOM 0 HA GLN A 94 -22.654 11.180 3.292 1.00 26.29 H new ATOM 0 HB2 GLN A 94 -21.262 13.624 3.478 1.00 26.52 H new ATOM 0 HB3 GLN A 94 -21.167 12.468 4.520 1.00 26.52 H new ATOM 0 HG2 GLN A 94 -20.245 12.287 1.845 1.00 31.70 H new ATOM 0 HG3 GLN A 94 -19.314 12.363 3.093 1.00 31.70 H new ATOM 0 HE21 GLN A 94 -19.956 10.164 1.039 1.00 38.43 H new ATOM 0 HE22 GLN A 94 -20.048 8.922 1.856 1.00 38.43 H new ATOM 702 N TYR A 95 -24.834 12.074 4.210 1.00 26.65 N ATOM 703 CA TYR A 95 -26.052 12.650 4.845 1.00 32.18 C ATOM 704 C TYR A 95 -26.619 13.853 4.088 1.00 29.59 C ATOM 705 O TYR A 95 -26.909 14.860 4.677 1.00 30.40 O ATOM 706 CB TYR A 95 -25.782 13.011 6.312 1.00 34.54 C ATOM 707 CG TYR A 95 -25.332 11.829 7.095 1.00 39.69 C ATOM 708 CD1 TYR A 95 -26.273 10.930 7.618 1.00 42.49 C ATOM 709 CD2 TYR A 95 -23.966 11.577 7.305 1.00 43.66 C ATOM 710 CE1 TYR A 95 -25.884 9.816 8.346 1.00 50.88 C ATOM 711 CE2 TYR A 95 -23.555 10.460 8.029 1.00 49.78 C ATOM 712 CZ TYR A 95 -24.527 9.587 8.553 1.00 56.00 C ATOM 713 OH TYR A 95 -24.173 8.483 9.280 1.00 62.94 O ATOM 0 H TYR A 95 -24.850 11.220 4.108 1.00 26.65 H new ATOM 0 HA TYR A 95 -26.731 11.958 4.807 1.00 32.18 H new ATOM 0 HB2 TYR A 95 -25.106 13.705 6.356 1.00 34.54 H new ATOM 0 HB3 TYR A 95 -26.588 13.375 6.710 1.00 34.54 H new ATOM 0 HD1 TYR A 95 -27.179 11.085 7.473 1.00 42.49 H new ATOM 0 HD2 TYR A 95 -23.331 12.161 6.958 1.00 43.66 H new ATOM 0 HE1 TYR A 95 -26.520 9.231 8.690 1.00 50.88 H new ATOM 0 HE2 TYR A 95 -22.650 10.293 8.164 1.00 49.78 H new ATOM 0 HH TYR A 95 -23.336 8.444 9.341 1.00 62.94 H new ATOM 714 N GLY A 96 -26.723 13.728 2.766 1.00 30.18 N ATOM 715 CA GLY A 96 -27.381 14.701 1.920 1.00 30.40 C ATOM 716 C GLY A 96 -26.466 15.803 1.396 1.00 32.52 C ATOM 717 O GLY A 96 -26.937 16.695 0.712 1.00 27.68 O ATOM 0 H GLY A 96 -26.403 13.057 2.333 1.00 30.18 H new ATOM 0 HA2 GLY A 96 -27.779 14.240 1.165 1.00 30.40 H new ATOM 0 HA3 GLY A 96 -28.107 15.108 2.418 1.00 30.40 H new ATOM 718 N LYS A 97 -25.169 15.768 1.735 1.00 27.99 N ATOM 719 CA LYS A 97 -24.250 16.854 1.348 1.00 29.82 C ATOM 720 C LYS A 97 -23.030 16.247 0.671 1.00 28.61 C ATOM 721 O LYS A 97 -22.668 15.052 0.933 1.00 27.39 O ATOM 722 CB LYS A 97 -23.778 17.668 2.575 1.00 33.89 C ATOM 723 CG LYS A 97 -24.866 18.372 3.407 1.00 37.55 C ATOM 724 CD LYS A 97 -25.589 19.361 2.523 1.00 40.63 C ATOM 725 CE LYS A 97 -26.198 20.429 3.417 1.00 58.55 C ATOM 726 NZ LYS A 97 -26.464 21.649 2.608 1.00 61.90 N ATOM 0 H LYS A 97 -24.804 15.132 2.184 1.00 27.99 H new ATOM 0 HA LYS A 97 -24.724 17.451 0.749 1.00 29.82 H new ATOM 0 HB2 LYS A 97 -23.288 17.071 3.162 1.00 33.89 H new ATOM 0 HB3 LYS A 97 -23.151 18.341 2.267 1.00 33.89 H new ATOM 0 HG2 LYS A 97 -25.490 17.721 3.764 1.00 37.55 H new ATOM 0 HG3 LYS A 97 -24.467 18.827 4.165 1.00 37.55 H new ATOM 0 HD2 LYS A 97 -24.975 19.760 1.887 1.00 40.63 H new ATOM 0 HD3 LYS A 97 -26.280 18.915 2.008 1.00 40.63 H new ATOM 0 HE2 LYS A 97 -27.022 20.104 3.813 1.00 58.55 H new ATOM 0 HE3 LYS A 97 -25.595 20.637 4.148 1.00 58.55 H new ATOM 0 HZ1 LYS A 97 -26.821 22.278 3.127 1.00 61.90 H new ATOM 0 HZ2 LYS A 97 -25.701 21.948 2.262 1.00 61.90 H new ATOM 0 HZ3 LYS A 97 -27.030 21.452 1.950 1.00 61.90 H new ATOM 727 N ASP A 98 -22.424 17.054 -0.196 1.00 24.34 N ATOM 728 CA ASP A 98 -21.065 16.734 -0.750 1.00 22.94 C ATOM 729 C ASP A 98 -20.066 17.667 -0.057 1.00 22.07 C ATOM 730 O ASP A 98 -20.384 18.851 0.224 1.00 22.91 O ATOM 731 CB ASP A 98 -20.953 17.044 -2.247 1.00 21.23 C ATOM 732 CG ASP A 98 -21.716 16.075 -3.145 1.00 26.15 C ATOM 733 OD1 ASP A 98 -22.307 15.055 -2.691 1.00 23.61 O ATOM 734 OD2 ASP A 98 -21.675 16.343 -4.380 1.00 25.26 O ATOM 0 H ASP A 98 -22.763 17.789 -0.486 1.00 24.34 H new ATOM 0 HA ASP A 98 -20.899 15.789 -0.606 1.00 22.94 H new ATOM 0 HB2 ASP A 98 -21.281 17.943 -2.406 1.00 21.23 H new ATOM 0 HB3 ASP A 98 -20.017 17.034 -2.500 1.00 21.23 H new ATOM 735 N TYR A 99 -18.873 17.121 0.220 1.00 23.18 N ATOM 736 CA TYR A 99 -17.788 17.912 0.924 1.00 22.15 C ATOM 737 C TYR A 99 -16.536 17.938 0.049 1.00 20.88 C ATOM 738 O TYR A 99 -16.076 16.864 -0.315 1.00 21.19 O ATOM 739 CB TYR A 99 -17.416 17.240 2.256 1.00 27.30 C ATOM 740 CG TYR A 99 -18.533 17.392 3.229 1.00 29.17 C ATOM 741 CD1 TYR A 99 -18.789 18.645 3.840 1.00 32.39 C ATOM 742 CD2 TYR A 99 -19.437 16.332 3.437 1.00 34.50 C ATOM 743 CE1 TYR A 99 -19.868 18.807 4.718 1.00 36.41 C ATOM 744 CE2 TYR A 99 -20.522 16.480 4.311 1.00 32.74 C ATOM 745 CZ TYR A 99 -20.727 17.693 4.944 1.00 38.22 C ATOM 746 OH TYR A 99 -21.782 17.796 5.798 1.00 35.10 O ATOM 0 H TYR A 99 -18.655 16.313 0.022 1.00 23.18 H new ATOM 0 HA TYR A 99 -18.118 18.810 1.087 1.00 22.15 H new ATOM 0 HB2 TYR A 99 -17.228 16.299 2.112 1.00 27.30 H new ATOM 0 HB3 TYR A 99 -16.608 17.639 2.614 1.00 27.30 H new ATOM 0 HD1 TYR A 99 -18.234 19.368 3.656 1.00 32.39 H new ATOM 0 HD2 TYR A 99 -19.312 15.526 2.990 1.00 34.50 H new ATOM 0 HE1 TYR A 99 -20.020 19.620 5.142 1.00 36.41 H new ATOM 0 HE2 TYR A 99 -21.100 15.768 4.465 1.00 32.74 H new ATOM 0 HH TYR A 99 -22.192 17.064 5.826 1.00 35.10 H new ATOM 747 N ILE A 100 -16.053 19.115 -0.317 1.00 18.95 N ATOM 748 CA ILE A 100 -14.853 19.183 -1.202 1.00 19.09 C ATOM 749 C ILE A 100 -13.774 20.095 -0.573 1.00 17.84 C ATOM 750 O ILE A 100 -14.094 21.014 0.203 1.00 19.03 O ATOM 751 CB ILE A 100 -15.215 19.628 -2.666 1.00 21.24 C ATOM 752 CG1 ILE A 100 -15.568 21.124 -2.694 1.00 22.08 C ATOM 753 CG2 ILE A 100 -16.272 18.683 -3.276 1.00 17.89 C ATOM 754 CD1 ILE A 100 -15.529 21.752 -4.063 1.00 26.80 C ATOM 0 H ILE A 100 -16.380 19.875 -0.083 1.00 18.95 H new ATOM 0 HA ILE A 100 -14.489 18.287 -1.276 1.00 19.09 H new ATOM 0 HB ILE A 100 -14.445 19.540 -3.249 1.00 21.24 H new ATOM 0 HG12 ILE A 100 -16.456 21.242 -2.322 1.00 22.08 H new ATOM 0 HG13 ILE A 100 -14.953 21.600 -2.115 1.00 22.08 H new ATOM 0 HG21 ILE A 100 -16.483 18.972 -4.178 1.00 17.89 H new ATOM 0 HG22 ILE A 100 -15.922 17.779 -3.300 1.00 17.89 H new ATOM 0 HG23 ILE A 100 -17.076 18.704 -2.734 1.00 17.89 H new ATOM 0 HD11 ILE A 100 -15.762 22.691 -3.995 1.00 26.80 H new ATOM 0 HD12 ILE A 100 -14.636 21.667 -4.433 1.00 26.80 H new ATOM 0 HD13 ILE A 100 -16.163 21.303 -4.643 1.00 26.80 H new ATOM 755 N ASP A 101 -12.510 19.854 -0.919 1.00 17.67 N ATOM 756 CA ASP A 101 -11.441 20.704 -0.402 1.00 17.05 C ATOM 757 C ASP A 101 -10.240 20.469 -1.310 1.00 17.60 C ATOM 758 O ASP A 101 -10.231 19.505 -2.090 1.00 15.12 O ATOM 759 CB ASP A 101 -11.069 20.368 1.080 1.00 18.21 C ATOM 760 CG ASP A 101 -10.400 19.017 1.227 1.00 21.57 C ATOM 761 OD1 ASP A 101 -9.169 18.820 0.973 1.00 18.58 O ATOM 762 OD2 ASP A 101 -11.099 18.064 1.630 1.00 21.91 O ATOM 0 H ASP A 101 -12.255 19.219 -1.440 1.00 17.67 H new ATOM 0 HA ASP A 101 -11.727 21.631 -0.399 1.00 17.05 H new ATOM 0 HB2 ASP A 101 -10.478 21.056 1.424 1.00 18.21 H new ATOM 0 HB3 ASP A 101 -11.873 20.387 1.623 1.00 18.21 H new ATOM 763 N ILE A 102 -9.294 21.413 -1.246 1.00 16.09 N ATOM 764 CA ILE A 102 -7.959 21.210 -1.822 1.00 15.64 C ATOM 765 C ILE A 102 -7.002 21.104 -0.625 1.00 15.84 C ATOM 766 O ILE A 102 -7.213 21.775 0.418 1.00 14.59 O ATOM 767 CB ILE A 102 -7.573 22.380 -2.712 1.00 16.19 C ATOM 768 CG1 ILE A 102 -8.407 22.280 -4.028 1.00 17.12 C ATOM 769 CG2 ILE A 102 -6.050 22.265 -3.093 1.00 17.23 C ATOM 770 CD1 ILE A 102 -7.946 23.334 -5.042 1.00 23.32 C ATOM 0 H ILE A 102 -9.406 22.179 -0.872 1.00 16.09 H new ATOM 0 HA ILE A 102 -7.928 20.415 -2.377 1.00 15.64 H new ATOM 0 HB ILE A 102 -7.739 23.217 -2.251 1.00 16.19 H new ATOM 0 HG12 ILE A 102 -8.312 21.393 -4.410 1.00 17.12 H new ATOM 0 HG13 ILE A 102 -9.348 22.404 -3.830 1.00 17.12 H new ATOM 0 HG21 ILE A 102 -5.801 23.011 -3.661 1.00 17.23 H new ATOM 0 HG22 ILE A 102 -5.512 22.280 -2.286 1.00 17.23 H new ATOM 0 HG23 ILE A 102 -5.897 21.433 -3.567 1.00 17.23 H new ATOM 0 HD11 ILE A 102 -8.474 23.257 -5.852 1.00 23.32 H new ATOM 0 HD12 ILE A 102 -8.062 24.220 -4.664 1.00 23.32 H new ATOM 0 HD13 ILE A 102 -7.010 23.193 -5.253 1.00 23.32 H new ATOM 771 N SER A 103 -6.031 20.180 -0.722 1.00 17.28 N ATOM 772 CA SER A 103 -5.100 19.962 0.405 1.00 15.90 C ATOM 773 C SER A 103 -3.682 20.053 -0.149 1.00 15.05 C ATOM 774 O SER A 103 -3.422 19.527 -1.243 1.00 15.25 O ATOM 775 CB SER A 103 -5.376 18.588 1.008 1.00 18.66 C ATOM 776 OG SER A 103 -4.388 18.184 1.940 1.00 19.68 O ATOM 0 H SER A 103 -5.895 19.682 -1.410 1.00 17.28 H new ATOM 0 HA SER A 103 -5.214 20.625 1.104 1.00 15.90 H new ATOM 0 HB2 SER A 103 -6.241 18.601 1.446 1.00 18.66 H new ATOM 0 HB3 SER A 103 -5.429 17.932 0.295 1.00 18.66 H new ATOM 0 HG SER A 103 -4.423 17.351 2.043 1.00 19.68 H new ATOM 777 N ASN A 104 -2.791 20.714 0.622 1.00 15.91 N ATOM 778 CA ASN A 104 -1.314 20.694 0.510 1.00 14.38 C ATOM 779 C ASN A 104 -0.660 19.868 1.637 1.00 15.16 C ATOM 780 O ASN A 104 0.589 19.898 1.809 1.00 14.28 O ATOM 781 CB ASN A 104 -0.752 22.145 0.612 1.00 15.79 C ATOM 782 CG ASN A 104 -1.124 23.008 -0.595 1.00 18.58 C ATOM 783 OD1 ASN A 104 -1.538 24.186 -0.445 1.00 20.73 O ATOM 784 ND2 ASN A 104 -1.060 22.428 -1.756 1.00 15.04 N ATOM 0 H ASN A 104 -3.053 21.219 1.267 1.00 15.91 H new ATOM 0 HA ASN A 104 -1.105 20.292 -0.348 1.00 14.38 H new ATOM 0 HB2 ASN A 104 -1.090 22.563 1.420 1.00 15.79 H new ATOM 0 HB3 ASN A 104 0.214 22.109 0.694 1.00 15.79 H new ATOM 0 HD21 ASN A 104 -1.307 22.852 -2.463 1.00 15.04 H new ATOM 0 HD22 ASN A 104 -0.771 21.620 -1.818 1.00 15.04 H new ATOM 785 N ILE A 105 -1.455 19.006 2.283 1.00 14.30 N ATOM 786 CA ILE A 105 -0.881 18.134 3.389 1.00 16.32 C ATOM 787 C ILE A 105 0.125 17.127 2.877 1.00 17.11 C ATOM 788 O ILE A 105 1.028 16.682 3.636 1.00 15.92 O ATOM 789 CB ILE A 105 -2.066 17.409 4.149 1.00 17.06 C ATOM 790 CG1 ILE A 105 -2.808 18.501 4.946 1.00 16.73 C ATOM 791 CG2 ILE A 105 -1.638 16.250 5.069 1.00 18.75 C ATOM 792 CD1 ILE A 105 -4.207 18.094 5.439 1.00 17.30 C ATOM 0 H ILE A 105 -2.293 18.895 2.125 1.00 14.30 H new ATOM 0 HA ILE A 105 -0.399 18.710 4.002 1.00 16.32 H new ATOM 0 HB ILE A 105 -2.633 16.979 3.490 1.00 17.06 H new ATOM 0 HG12 ILE A 105 -2.267 18.749 5.712 1.00 16.73 H new ATOM 0 HG13 ILE A 105 -2.891 19.291 4.389 1.00 16.73 H new ATOM 0 HG21 ILE A 105 -2.422 15.866 5.492 1.00 18.75 H new ATOM 0 HG22 ILE A 105 -1.188 15.570 4.544 1.00 18.75 H new ATOM 0 HG23 ILE A 105 -1.034 16.584 5.751 1.00 18.75 H new ATOM 0 HD11 ILE A 105 -4.605 18.831 5.928 1.00 17.30 H new ATOM 0 HD12 ILE A 105 -4.766 17.872 4.678 1.00 17.30 H new ATOM 0 HD13 ILE A 105 -4.133 17.322 6.022 1.00 17.30 H new ATOM 793 N LYS A 106 -0.032 16.730 1.606 1.00 15.13 N ATOM 794 CA LYS A 106 0.975 15.905 0.938 1.00 15.09 C ATOM 795 C LYS A 106 1.740 16.701 -0.087 1.00 14.56 C ATOM 796 O LYS A 106 2.238 16.112 -1.112 1.00 15.67 O ATOM 797 CB LYS A 106 0.308 14.706 0.220 1.00 17.07 C ATOM 798 CG LYS A 106 -0.547 13.831 1.157 1.00 20.63 C ATOM 799 CD LYS A 106 0.305 12.665 1.598 1.00 30.72 C ATOM 800 CE LYS A 106 -0.317 11.993 2.822 1.00 32.25 C ATOM 801 NZ LYS A 106 0.823 11.393 3.584 1.00 37.34 N ATOM 0 H LYS A 106 -0.712 16.929 1.119 1.00 15.13 H new ATOM 0 HA LYS A 106 1.584 15.588 1.623 1.00 15.09 H new ATOM 0 HB2 LYS A 106 -0.250 15.039 -0.500 1.00 17.07 H new ATOM 0 HB3 LYS A 106 0.997 14.157 -0.186 1.00 17.07 H new ATOM 0 HG2 LYS A 106 -0.845 14.344 1.924 1.00 20.63 H new ATOM 0 HG3 LYS A 106 -1.342 13.518 0.699 1.00 20.63 H new ATOM 0 HD2 LYS A 106 0.387 12.024 0.875 1.00 30.72 H new ATOM 0 HD3 LYS A 106 1.201 12.971 1.809 1.00 30.72 H new ATOM 0 HE2 LYS A 106 -0.798 12.637 3.365 1.00 32.25 H new ATOM 0 HE3 LYS A 106 -0.955 11.312 2.558 1.00 32.25 H new ATOM 0 HZ1 LYS A 106 0.507 10.833 4.200 1.00 37.34 H new ATOM 0 HZ2 LYS A 106 1.354 10.949 3.024 1.00 37.34 H new ATOM 0 HZ3 LYS A 106 1.287 12.040 3.982 1.00 37.34 H new ATOM 802 N GLY A 107 1.946 18.003 0.189 1.00 14.69 N ATOM 803 CA GLY A 107 2.765 18.825 -0.704 1.00 15.11 C ATOM 804 C GLY A 107 2.014 19.356 -1.934 1.00 16.23 C ATOM 805 O GLY A 107 0.769 19.303 -2.008 1.00 15.75 O ATOM 0 H GLY A 107 1.626 18.415 0.873 1.00 14.69 H new ATOM 0 HA2 GLY A 107 3.117 19.577 -0.203 1.00 15.11 H new ATOM 0 HA3 GLY A 107 3.525 18.302 -1.002 1.00 15.11 H new ATOM 806 N PHE A 108 2.786 19.884 -2.856 1.00 13.65 N ATOM 807 CA PHE A 108 2.247 20.647 -3.998 1.00 14.70 C ATOM 808 C PHE A 108 3.085 20.298 -5.192 1.00 15.04 C ATOM 809 O PHE A 108 4.335 20.321 -5.170 1.00 17.47 O ATOM 810 CB PHE A 108 2.230 22.180 -3.682 1.00 14.35 C ATOM 811 CG PHE A 108 1.806 23.084 -4.829 1.00 14.22 C ATOM 812 CD1 PHE A 108 2.695 23.368 -5.884 1.00 14.23 C ATOM 813 CD2 PHE A 108 0.512 23.548 -4.880 1.00 15.92 C ATOM 814 CE1 PHE A 108 2.308 24.169 -6.934 1.00 17.63 C ATOM 815 CE2 PHE A 108 0.095 24.383 -5.905 1.00 17.89 C ATOM 816 CZ PHE A 108 0.990 24.652 -6.972 1.00 16.45 C ATOM 0 H PHE A 108 3.644 19.819 -2.852 1.00 13.65 H new ATOM 0 HA PHE A 108 1.323 20.415 -4.180 1.00 14.70 H new ATOM 0 HB2 PHE A 108 1.632 22.333 -2.933 1.00 14.35 H new ATOM 0 HB3 PHE A 108 3.118 22.444 -3.395 1.00 14.35 H new ATOM 0 HD1 PHE A 108 3.553 23.010 -5.871 1.00 14.23 H new ATOM 0 HD2 PHE A 108 -0.091 23.298 -4.218 1.00 15.92 H new ATOM 0 HE1 PHE A 108 2.910 24.387 -7.608 1.00 17.63 H new ATOM 0 HE2 PHE A 108 -0.755 24.760 -5.893 1.00 17.89 H new ATOM 0 HZ PHE A 108 0.702 25.152 -7.702 1.00 16.45 H new ATOM 817 N ASN A 109 2.411 19.965 -6.310 1.00 15.16 N ATOM 818 CA ASN A 109 3.162 19.805 -7.568 1.00 14.49 C ATOM 819 C ASN A 109 2.620 20.689 -8.675 1.00 15.98 C ATOM 820 O ASN A 109 3.413 21.319 -9.388 1.00 16.01 O ATOM 821 CB ASN A 109 3.302 18.301 -7.949 1.00 15.18 C ATOM 822 CG ASN A 109 1.933 17.610 -8.235 1.00 14.19 C ATOM 823 OD1 ASN A 109 0.828 18.145 -7.748 1.00 17.55 O flip ATOM 824 ND2 ASN A 109 1.912 16.650 -8.999 1.00 12.66 N flip ATOM 0 H ASN A 109 1.563 19.834 -6.361 1.00 15.16 H new ATOM 0 HA ASN A 109 4.067 20.124 -7.427 1.00 14.49 H new ATOM 0 HB2 ASN A 109 3.867 18.223 -8.734 1.00 15.18 H new ATOM 0 HB3 ASN A 109 3.751 17.831 -7.229 1.00 15.18 H new ATOM 0 HD21 ASN A 109 2.649 16.324 -9.300 1.00 12.66 H new ATOM 0 HD22 ASN A 109 1.161 16.304 -9.234 1.00 12.66 H new ATOM 825 N VAL A 110 1.308 20.841 -8.772 1.00 13.88 N ATOM 826 CA VAL A 110 0.711 21.525 -9.938 1.00 16.58 C ATOM 827 C VAL A 110 -0.380 22.410 -9.322 1.00 15.36 C ATOM 828 O VAL A 110 -1.083 21.904 -8.439 1.00 17.36 O ATOM 829 CB VAL A 110 0.046 20.454 -10.849 1.00 17.78 C ATOM 830 CG1 VAL A 110 -0.820 21.046 -11.908 1.00 17.83 C ATOM 831 CG2 VAL A 110 1.129 19.556 -11.523 1.00 17.06 C ATOM 0 H VAL A 110 0.742 20.563 -8.187 1.00 13.88 H new ATOM 0 HA VAL A 110 1.352 22.026 -10.466 1.00 16.58 H new ATOM 0 HB VAL A 110 -0.519 19.921 -10.268 1.00 17.78 H new ATOM 0 HG11 VAL A 110 -1.207 20.336 -12.444 1.00 17.83 H new ATOM 0 HG12 VAL A 110 -1.530 21.562 -11.495 1.00 17.83 H new ATOM 0 HG13 VAL A 110 -0.288 21.625 -12.475 1.00 17.83 H new ATOM 0 HG21 VAL A 110 0.697 18.895 -12.086 1.00 17.06 H new ATOM 0 HG22 VAL A 110 1.716 20.107 -12.064 1.00 17.06 H new ATOM 0 HG23 VAL A 110 1.649 19.106 -10.838 1.00 17.06 H new ATOM 832 N PRO A 111 -0.549 23.682 -9.772 1.00 17.07 N ATOM 833 CA PRO A 111 -1.684 24.492 -9.291 1.00 16.59 C ATOM 834 C PRO A 111 -3.030 23.913 -9.785 1.00 16.06 C ATOM 835 O PRO A 111 -3.070 23.201 -10.851 1.00 17.25 O ATOM 836 CB PRO A 111 -1.430 25.871 -9.881 1.00 16.39 C ATOM 837 CG PRO A 111 -0.503 25.657 -10.992 1.00 19.37 C ATOM 838 CD PRO A 111 0.236 24.386 -10.818 1.00 18.32 C ATOM 0 HA PRO A 111 -1.746 24.508 -8.323 1.00 16.59 H new ATOM 0 HB2 PRO A 111 -2.256 26.277 -10.189 1.00 16.39 H new ATOM 0 HB3 PRO A 111 -1.049 26.469 -9.219 1.00 16.39 H new ATOM 0 HG2 PRO A 111 -0.992 25.640 -11.829 1.00 19.37 H new ATOM 0 HG3 PRO A 111 0.123 26.396 -11.044 1.00 19.37 H new ATOM 0 HD2 PRO A 111 0.273 23.877 -11.643 1.00 18.32 H new ATOM 0 HD3 PRO A 111 1.152 24.539 -10.537 1.00 18.32 H new ATOM 839 N MET A 112 -4.091 24.200 -9.025 1.00 17.58 N ATOM 840 CA MET A 112 -5.386 23.563 -9.230 1.00 18.48 C ATOM 841 C MET A 112 -6.549 24.429 -8.822 1.00 18.75 C ATOM 842 O MET A 112 -6.459 25.149 -7.813 1.00 18.48 O ATOM 843 CB MET A 112 -5.386 22.279 -8.341 1.00 19.74 C ATOM 844 CG MET A 112 -6.673 21.512 -8.290 1.00 27.40 C ATOM 845 SD MET A 112 -6.440 20.232 -7.008 1.00 25.16 S ATOM 846 CE MET A 112 -5.264 19.191 -7.908 1.00 21.61 C ATOM 0 H MET A 112 -4.076 24.768 -8.379 1.00 17.58 H new ATOM 0 HA MET A 112 -5.498 23.380 -10.176 1.00 18.48 H new ATOM 0 HB2 MET A 112 -4.689 21.685 -8.662 1.00 19.74 H new ATOM 0 HB3 MET A 112 -5.147 22.534 -7.436 1.00 19.74 H new ATOM 0 HG2 MET A 112 -7.417 22.094 -8.069 1.00 27.40 H new ATOM 0 HG3 MET A 112 -6.873 21.111 -9.150 1.00 27.40 H new ATOM 0 HE1 MET A 112 -5.510 18.259 -7.803 1.00 21.61 H new ATOM 0 HE2 MET A 112 -5.279 19.425 -8.849 1.00 21.61 H new ATOM 0 HE3 MET A 112 -4.371 19.331 -7.555 1.00 21.61 H new ATOM 847 N ASN A 113 -7.648 24.391 -9.588 1.00 18.23 N ATOM 848 CA ASN A 113 -8.913 24.960 -9.164 1.00 17.16 C ATOM 849 C ASN A 113 -9.888 23.759 -9.087 1.00 17.47 C ATOM 850 O ASN A 113 -9.859 22.846 -9.949 1.00 18.07 O ATOM 851 CB ASN A 113 -9.404 25.996 -10.211 1.00 18.59 C ATOM 852 CG ASN A 113 -10.762 26.586 -9.873 1.00 17.29 C ATOM 853 OD1 ASN A 113 -10.855 27.607 -9.242 1.00 21.37 O ATOM 854 ND2 ASN A 113 -11.795 25.870 -10.182 1.00 16.33 N ATOM 0 H ASN A 113 -7.670 24.031 -10.369 1.00 18.23 H new ATOM 0 HA ASN A 113 -8.845 25.424 -8.315 1.00 17.16 H new ATOM 0 HB2 ASN A 113 -8.754 26.713 -10.279 1.00 18.59 H new ATOM 0 HB3 ASN A 113 -9.450 25.571 -11.082 1.00 18.59 H new ATOM 0 HD21 ASN A 113 -12.580 26.119 -9.935 1.00 16.33 H new ATOM 0 HD22 ASN A 113 -11.696 25.145 -10.634 1.00 16.33 H new ATOM 855 N PHE A 114 -10.713 23.732 -8.045 1.00 15.35 N ATOM 856 CA PHE A 114 -11.716 22.648 -7.836 1.00 16.47 C ATOM 857 C PHE A 114 -13.076 23.345 -7.588 1.00 17.57 C ATOM 858 O PHE A 114 -13.253 23.998 -6.559 1.00 18.18 O ATOM 859 CB PHE A 114 -11.289 21.785 -6.655 1.00 15.69 C ATOM 860 CG PHE A 114 -12.107 20.536 -6.403 1.00 17.20 C ATOM 861 CD1 PHE A 114 -13.143 20.055 -7.283 1.00 18.15 C ATOM 862 CD2 PHE A 114 -11.891 19.843 -5.194 1.00 16.77 C ATOM 863 CE1 PHE A 114 -13.852 18.855 -6.974 1.00 18.56 C ATOM 864 CE2 PHE A 114 -12.605 18.672 -4.883 1.00 19.11 C ATOM 865 CZ PHE A 114 -13.583 18.159 -5.771 1.00 18.00 C ATOM 0 H PHE A 114 -10.719 24.334 -7.431 1.00 15.35 H new ATOM 0 HA PHE A 114 -11.788 22.059 -8.603 1.00 16.47 H new ATOM 0 HB2 PHE A 114 -10.365 21.521 -6.789 1.00 15.69 H new ATOM 0 HB3 PHE A 114 -11.314 22.332 -5.854 1.00 15.69 H new ATOM 0 HD1 PHE A 114 -13.350 20.529 -8.056 1.00 18.15 H new ATOM 0 HD2 PHE A 114 -11.263 20.167 -4.589 1.00 16.77 H new ATOM 0 HE1 PHE A 114 -14.492 18.530 -7.565 1.00 18.56 H new ATOM 0 HE2 PHE A 114 -12.433 18.228 -4.084 1.00 19.11 H new ATOM 0 HZ PHE A 114 -14.042 17.376 -5.566 1.00 18.00 H new ATOM 866 N SER A 115 -13.968 23.292 -8.582 1.00 18.42 N ATOM 867 CA SER A 115 -15.239 24.088 -8.615 1.00 18.01 C ATOM 868 C SER A 115 -16.419 23.173 -8.938 1.00 20.35 C ATOM 869 O SER A 115 -16.296 22.268 -9.777 1.00 21.41 O ATOM 870 CB SER A 115 -15.175 25.197 -9.674 1.00 20.53 C ATOM 871 OG SER A 115 -14.287 26.188 -9.151 1.00 22.18 O ATOM 0 H SER A 115 -13.864 22.790 -9.273 1.00 18.42 H new ATOM 0 HA SER A 115 -15.355 24.492 -7.741 1.00 18.01 H new ATOM 0 HB2 SER A 115 -14.850 24.851 -10.520 1.00 20.53 H new ATOM 0 HB3 SER A 115 -16.055 25.571 -9.839 1.00 20.53 H new ATOM 0 HG SER A 115 -13.853 25.865 -8.508 1.00 22.18 H new ATOM 872 N PRO A 116 -17.595 23.448 -8.325 1.00 23.53 N ATOM 873 CA PRO A 116 -18.847 22.830 -8.768 1.00 23.05 C ATOM 874 C PRO A 116 -19.176 23.345 -10.162 1.00 24.04 C ATOM 875 O PRO A 116 -18.854 24.488 -10.478 1.00 23.18 O ATOM 876 CB PRO A 116 -19.879 23.354 -7.762 1.00 25.08 C ATOM 877 CG PRO A 116 -19.263 24.629 -7.249 1.00 28.34 C ATOM 878 CD PRO A 116 -17.786 24.348 -7.167 1.00 22.94 C ATOM 0 HA PRO A 116 -18.817 21.861 -8.805 1.00 23.05 H new ATOM 0 HB2 PRO A 116 -20.737 23.518 -8.184 1.00 25.08 H new ATOM 0 HB3 PRO A 116 -20.032 22.719 -7.045 1.00 25.08 H new ATOM 0 HG2 PRO A 116 -19.446 25.372 -7.846 1.00 28.34 H new ATOM 0 HG3 PRO A 116 -19.623 24.868 -6.381 1.00 28.34 H new ATOM 0 HD2 PRO A 116 -17.255 25.157 -7.241 1.00 22.94 H new ATOM 0 HD3 PRO A 116 -17.541 23.924 -6.330 1.00 22.94 H new ATOM 879 N THR A 117 -19.767 22.477 -10.978 1.00 25.52 N ATOM 880 CA THR A 117 -20.357 22.916 -12.290 1.00 27.01 C ATOM 881 C THR A 117 -21.863 23.023 -12.196 1.00 32.95 C ATOM 882 O THR A 117 -22.482 23.354 -13.171 1.00 32.32 O ATOM 883 CB THR A 117 -20.073 21.954 -13.432 1.00 26.17 C ATOM 884 OG1 THR A 117 -20.504 20.649 -13.067 1.00 25.45 O ATOM 885 CG2 THR A 117 -18.571 21.982 -13.871 1.00 26.79 C ATOM 0 H THR A 117 -19.847 21.637 -10.813 1.00 25.52 H new ATOM 0 HA THR A 117 -19.940 23.772 -12.474 1.00 27.01 H new ATOM 0 HB THR A 117 -20.576 22.240 -14.211 1.00 26.17 H new ATOM 0 HG1 THR A 117 -20.349 20.116 -13.697 1.00 25.45 H new ATOM 0 HG21 THR A 117 -18.435 21.356 -14.599 1.00 26.79 H new ATOM 0 HG22 THR A 117 -18.336 22.876 -14.166 1.00 26.79 H new ATOM 0 HG23 THR A 117 -18.010 21.732 -13.121 1.00 26.79 H new ATOM 886 N THR A 118 -22.429 22.726 -11.026 1.00 35.68 N ATOM 887 CA THR A 118 -23.886 22.803 -10.736 1.00 36.98 C ATOM 888 C THR A 118 -24.019 23.881 -9.643 1.00 40.84 C ATOM 889 O THR A 118 -23.016 24.448 -9.178 1.00 35.35 O ATOM 890 CB THR A 118 -24.467 21.410 -10.321 1.00 32.43 C ATOM 891 OG1 THR A 118 -23.714 20.857 -9.234 1.00 33.41 O ATOM 892 CG2 THR A 118 -24.455 20.354 -11.515 1.00 31.99 C ATOM 0 H THR A 118 -21.969 22.464 -10.349 1.00 35.68 H new ATOM 0 HA THR A 118 -24.409 23.045 -11.516 1.00 36.98 H new ATOM 0 HB THR A 118 -25.387 21.571 -10.061 1.00 32.43 H new ATOM 0 HG1 THR A 118 -24.239 20.612 -8.625 1.00 33.41 H new ATOM 0 HG21 THR A 118 -24.824 19.512 -11.206 1.00 31.99 H new ATOM 0 HG22 THR A 118 -24.991 20.691 -12.250 1.00 31.99 H new ATOM 0 HG23 THR A 118 -23.543 20.216 -11.816 1.00 31.99 H new ATOM 893 N ARG A 119 -25.256 24.190 -9.266 1.00 44.91 N ATOM 894 CA ARG A 119 -25.571 25.333 -8.392 1.00 53.74 C ATOM 895 C ARG A 119 -25.343 25.056 -6.879 1.00 53.57 C ATOM 896 O ARG A 119 -25.425 23.895 -6.436 1.00 58.24 O ATOM 897 CB ARG A 119 -27.053 25.754 -8.594 1.00 70.71 C ATOM 898 CG ARG A 119 -27.836 25.079 -9.745 1.00 87.00 C ATOM 899 CD ARG A 119 -29.351 25.372 -9.736 1.00101.99 C ATOM 900 NE ARG A 119 -29.719 26.757 -9.357 1.00117.23 N ATOM 901 CZ ARG A 119 -29.545 27.863 -10.102 1.00120.12 C ATOM 902 NH1 ARG A 119 -28.986 27.814 -11.313 1.00119.86 N ATOM 903 NH2 ARG A 119 -29.926 29.046 -9.622 1.00105.14 N ATOM 0 H ARG A 119 -25.948 23.741 -9.510 1.00 44.91 H new ATOM 0 HA ARG A 119 -24.958 26.039 -8.650 1.00 53.74 H new ATOM 0 HB2 ARG A 119 -27.529 25.581 -7.767 1.00 70.71 H new ATOM 0 HB3 ARG A 119 -27.075 26.713 -8.739 1.00 70.71 H new ATOM 0 HG2 ARG A 119 -27.465 25.373 -10.591 1.00 87.00 H new ATOM 0 HG3 ARG A 119 -27.702 24.120 -9.695 1.00 87.00 H new ATOM 0 HD2 ARG A 119 -29.708 25.187 -10.619 1.00101.99 H new ATOM 0 HD3 ARG A 119 -29.782 24.758 -9.121 1.00101.99 H new ATOM 0 HE ARG A 119 -30.080 26.864 -8.584 1.00117.23 H new ATOM 0 HH11 ARG A 119 -28.726 27.061 -11.636 1.00119.86 H new ATOM 0 HH12 ARG A 119 -28.886 28.536 -11.770 1.00119.86 H new ATOM 0 HH21 ARG A 119 -30.281 29.099 -8.840 1.00105.14 H new ATOM 0 HH22 ARG A 119 -29.817 29.757 -10.094 1.00105.14 H new ATOM 904 N GLY A 120 -25.083 26.115 -6.090 1.00 44.96 N ATOM 905 CA GLY A 120 -25.268 26.043 -4.637 1.00 41.33 C ATOM 906 C GLY A 120 -24.068 25.985 -3.708 1.00 40.61 C ATOM 907 O GLY A 120 -24.250 25.924 -2.497 1.00 42.38 O ATOM 0 H GLY A 120 -24.802 26.875 -6.378 1.00 44.96 H new ATOM 0 HA2 GLY A 120 -25.794 26.815 -4.377 1.00 41.33 H new ATOM 0 HA3 GLY A 120 -25.808 25.258 -4.456 1.00 41.33 H new ATOM 908 N CYS A 121 -22.849 26.010 -4.249 1.00 38.52 N ATOM 909 CA CYS A 121 -21.643 26.257 -3.436 1.00 37.17 C ATOM 910 C CYS A 121 -20.600 27.009 -4.308 1.00 39.85 C ATOM 911 O CYS A 121 -20.832 27.277 -5.480 1.00 45.59 O ATOM 912 CB CYS A 121 -21.101 24.951 -2.849 1.00 33.30 C ATOM 913 SG CYS A 121 -20.959 23.678 -4.134 1.00 32.87 S ATOM 0 H CYS A 121 -22.693 25.887 -5.086 1.00 38.52 H new ATOM 0 HA CYS A 121 -21.860 26.817 -2.675 1.00 37.17 H new ATOM 0 HB2 CYS A 121 -20.233 25.108 -2.446 1.00 33.30 H new ATOM 0 HB3 CYS A 121 -21.689 24.640 -2.143 1.00 33.30 H new ATOM 914 N ARG A 122 -19.465 27.336 -3.731 1.00 34.78 N ATOM 915 CA ARG A 122 -18.397 28.013 -4.408 1.00 37.82 C ATOM 916 C ARG A 122 -17.232 27.027 -4.533 1.00 31.57 C ATOM 917 O ARG A 122 -17.239 25.980 -3.878 1.00 34.07 O ATOM 918 CB ARG A 122 -17.973 29.217 -3.578 1.00 45.34 C ATOM 919 CG ARG A 122 -17.550 28.854 -2.155 1.00 54.27 C ATOM 920 CD ARG A 122 -16.992 30.071 -1.440 1.00 69.10 C ATOM 921 NE ARG A 122 -15.530 30.069 -1.460 1.00 81.10 N ATOM 922 CZ ARG A 122 -14.764 29.443 -0.561 1.00 83.80 C ATOM 923 NH1 ARG A 122 -15.330 28.764 0.439 1.00 81.97 N ATOM 924 NH2 ARG A 122 -13.431 29.492 -0.659 1.00 68.89 N ATOM 0 H ARG A 122 -19.293 27.163 -2.906 1.00 34.78 H new ATOM 0 HA ARG A 122 -18.674 28.318 -5.286 1.00 37.82 H new ATOM 0 HB2 ARG A 122 -17.237 29.665 -4.023 1.00 45.34 H new ATOM 0 HB3 ARG A 122 -18.708 29.849 -3.539 1.00 45.34 H new ATOM 0 HG2 ARG A 122 -18.311 28.505 -1.665 1.00 54.27 H new ATOM 0 HG3 ARG A 122 -16.881 28.152 -2.180 1.00 54.27 H new ATOM 0 HD2 ARG A 122 -17.323 30.879 -1.863 1.00 69.10 H new ATOM 0 HD3 ARG A 122 -17.306 30.083 -0.522 1.00 69.10 H new ATOM 0 HE ARG A 122 -15.137 30.499 -2.092 1.00 81.10 H new ATOM 0 HH11 ARG A 122 -16.187 28.729 0.505 1.00 81.97 H new ATOM 0 HH12 ARG A 122 -14.838 28.361 1.018 1.00 81.97 H new ATOM 0 HH21 ARG A 122 -13.063 29.928 -1.303 1.00 68.89 H new ATOM 0 HH22 ARG A 122 -12.942 29.088 -0.078 1.00 68.89 H new ATOM 925 N GLY A 123 -16.256 27.347 -5.378 1.00 29.92 N ATOM 926 CA GLY A 123 -15.075 26.480 -5.554 1.00 25.72 C ATOM 927 C GLY A 123 -13.893 26.929 -4.679 1.00 24.93 C ATOM 928 O GLY A 123 -13.959 27.926 -3.971 1.00 24.56 O ATOM 0 H GLY A 123 -16.251 28.058 -5.861 1.00 29.92 H new ATOM 0 HA2 GLY A 123 -15.311 25.565 -5.333 1.00 25.72 H new ATOM 0 HA3 GLY A 123 -14.807 26.486 -6.486 1.00 25.72 H new ATOM 929 N VAL A 124 -12.774 26.220 -4.786 1.00 23.16 N ATOM 930 CA VAL A 124 -11.580 26.543 -4.018 1.00 23.36 C ATOM 931 C VAL A 124 -10.435 26.455 -5.017 1.00 22.38 C ATOM 932 O VAL A 124 -10.560 25.736 -6.011 1.00 20.35 O ATOM 933 CB VAL A 124 -11.350 25.542 -2.830 1.00 26.05 C ATOM 934 CG1 VAL A 124 -12.202 25.952 -1.632 1.00 29.69 C ATOM 935 CG2 VAL A 124 -11.638 24.087 -3.210 1.00 24.98 C ATOM 0 H VAL A 124 -12.687 25.540 -5.305 1.00 23.16 H new ATOM 0 HA VAL A 124 -11.655 27.420 -3.610 1.00 23.36 H new ATOM 0 HB VAL A 124 -10.409 25.589 -2.598 1.00 26.05 H new ATOM 0 HG11 VAL A 124 -12.055 25.330 -0.902 1.00 29.69 H new ATOM 0 HG12 VAL A 124 -11.954 26.846 -1.349 1.00 29.69 H new ATOM 0 HG13 VAL A 124 -13.139 25.941 -1.882 1.00 29.69 H new ATOM 0 HG21 VAL A 124 -11.480 23.515 -2.443 1.00 24.98 H new ATOM 0 HG22 VAL A 124 -12.562 24.003 -3.491 1.00 24.98 H new ATOM 0 HG23 VAL A 124 -11.054 23.820 -3.937 1.00 24.98 H new ATOM 936 N ARG A 125 -9.309 27.118 -4.755 1.00 19.59 N ATOM 937 CA ARG A 125 -8.244 27.149 -5.728 1.00 21.79 C ATOM 938 C ARG A 125 -6.935 27.245 -4.949 1.00 20.84 C ATOM 939 O ARG A 125 -6.880 27.929 -3.922 1.00 21.61 O ATOM 940 CB ARG A 125 -8.462 28.430 -6.552 1.00 23.14 C ATOM 941 CG ARG A 125 -7.317 28.823 -7.431 1.00 33.02 C ATOM 942 CD ARG A 125 -7.703 30.012 -8.301 1.00 34.88 C ATOM 943 NE ARG A 125 -8.869 29.660 -9.114 1.00 42.62 N ATOM 944 CZ ARG A 125 -9.157 30.208 -10.297 1.00 47.36 C ATOM 945 NH1 ARG A 125 -8.339 31.106 -10.854 1.00 49.46 N ATOM 946 NH2 ARG A 125 -10.235 29.823 -10.948 1.00 44.74 N ATOM 0 H ARG A 125 -9.152 27.548 -4.027 1.00 19.59 H new ATOM 0 HA ARG A 125 -8.224 26.370 -6.306 1.00 21.79 H new ATOM 0 HB2 ARG A 125 -9.250 28.312 -7.105 1.00 23.14 H new ATOM 0 HB3 ARG A 125 -8.650 29.161 -5.943 1.00 23.14 H new ATOM 0 HG2 ARG A 125 -6.546 29.049 -6.887 1.00 33.02 H new ATOM 0 HG3 ARG A 125 -7.059 28.074 -7.991 1.00 33.02 H new ATOM 0 HD2 ARG A 125 -7.904 30.781 -7.745 1.00 34.88 H new ATOM 0 HD3 ARG A 125 -6.961 30.262 -8.873 1.00 34.88 H new ATOM 0 HE ARG A 125 -9.404 29.060 -8.809 1.00 42.62 H new ATOM 0 HH11 ARG A 125 -7.616 31.338 -10.450 1.00 49.46 H new ATOM 0 HH12 ARG A 125 -8.535 31.452 -11.616 1.00 49.46 H new ATOM 0 HH21 ARG A 125 -10.749 29.222 -10.611 1.00 44.74 H new ATOM 0 HH22 ARG A 125 -10.425 30.173 -11.710 1.00 44.74 H new ATOM 947 N CYS A 126 -5.867 26.613 -5.418 1.00 18.95 N ATOM 948 CA CYS A 126 -4.507 26.959 -4.893 1.00 18.42 C ATOM 949 C CYS A 126 -3.696 27.134 -6.168 1.00 21.34 C ATOM 950 O CYS A 126 -3.354 26.139 -6.837 1.00 17.51 O ATOM 951 CB CYS A 126 -3.982 25.825 -4.010 1.00 18.76 C ATOM 952 SG CYS A 126 -2.238 26.074 -3.622 1.00 21.06 S ATOM 0 H CYS A 126 -5.883 25.999 -6.019 1.00 18.95 H new ATOM 0 HA CYS A 126 -4.478 27.748 -4.330 1.00 18.42 H new ATOM 0 HB2 CYS A 126 -4.498 25.782 -3.190 1.00 18.76 H new ATOM 0 HB3 CYS A 126 -4.099 24.975 -4.463 1.00 18.76 H new ATOM 953 N ALA A 127 -3.449 28.386 -6.548 1.00 19.59 N ATOM 954 CA ALA A 127 -2.804 28.657 -7.832 1.00 22.33 C ATOM 955 C ALA A 127 -1.516 29.455 -7.742 1.00 24.95 C ATOM 956 O ALA A 127 -1.008 29.892 -8.755 1.00 31.08 O ATOM 957 CB ALA A 127 -3.788 29.334 -8.800 1.00 22.23 C ATOM 0 H ALA A 127 -3.644 29.084 -6.085 1.00 19.59 H new ATOM 0 HA ALA A 127 -2.545 27.787 -8.175 1.00 22.33 H new ATOM 0 HB1 ALA A 127 -3.344 29.506 -9.645 1.00 22.23 H new ATOM 0 HB2 ALA A 127 -4.549 28.751 -8.948 1.00 22.23 H new ATOM 0 HB3 ALA A 127 -4.092 30.172 -8.419 1.00 22.23 H new ATOM 958 N ALA A 128 -0.905 29.533 -6.576 1.00 22.59 N ATOM 959 CA ALA A 128 0.280 30.372 -6.362 1.00 22.33 C ATOM 960 C ALA A 128 1.433 29.546 -6.797 1.00 21.39 C ATOM 961 O ALA A 128 1.312 28.295 -6.942 1.00 20.91 O ATOM 962 CB ALA A 128 0.404 30.687 -4.877 1.00 20.85 C ATOM 0 H ALA A 128 -1.160 29.102 -5.877 1.00 22.59 H new ATOM 0 HA ALA A 128 0.233 31.210 -6.849 1.00 22.33 H new ATOM 0 HB1 ALA A 128 1.186 31.242 -4.728 1.00 20.85 H new ATOM 0 HB2 ALA A 128 -0.389 31.160 -4.579 1.00 20.85 H new ATOM 0 HB3 ALA A 128 0.494 29.861 -4.377 1.00 20.85 H new ATOM 963 N ASP A 129 2.558 30.206 -6.999 1.00 20.15 N ATOM 964 CA ASP A 129 3.794 29.568 -7.409 1.00 26.08 C ATOM 965 C ASP A 129 4.533 28.919 -6.197 1.00 25.00 C ATOM 966 O ASP A 129 5.599 29.388 -5.752 1.00 23.71 O ATOM 967 CB ASP A 129 4.709 30.620 -8.089 1.00 28.20 C ATOM 968 CG ASP A 129 5.981 30.001 -8.672 1.00 31.69 C ATOM 969 OD1 ASP A 129 6.018 28.751 -8.891 1.00 31.18 O ATOM 970 OD2 ASP A 129 6.959 30.760 -8.887 1.00 39.67 O ATOM 0 H ASP A 129 2.627 31.057 -6.899 1.00 20.15 H new ATOM 0 HA ASP A 129 3.581 28.859 -8.036 1.00 26.08 H new ATOM 0 HB2 ASP A 129 4.216 31.064 -8.796 1.00 28.20 H new ATOM 0 HB3 ASP A 129 4.951 31.300 -7.441 1.00 28.20 H new ATOM 971 N ILE A 130 3.980 27.838 -5.668 1.00 20.06 N ATOM 972 CA ILE A 130 4.557 27.212 -4.462 1.00 17.39 C ATOM 973 C ILE A 130 5.861 26.538 -4.799 1.00 19.08 C ATOM 974 O ILE A 130 6.780 26.583 -4.015 1.00 20.85 O ATOM 975 CB ILE A 130 3.496 26.301 -3.791 1.00 17.67 C ATOM 976 CG1 ILE A 130 2.422 27.197 -3.118 1.00 17.55 C ATOM 977 CG2 ILE A 130 4.204 25.182 -2.914 1.00 16.15 C ATOM 978 CD1 ILE A 130 1.297 26.451 -2.431 1.00 20.15 C ATOM 0 H ILE A 130 3.280 27.448 -5.979 1.00 20.06 H new ATOM 0 HA ILE A 130 4.786 27.880 -3.797 1.00 17.39 H new ATOM 0 HB ILE A 130 2.992 25.771 -4.428 1.00 17.67 H new ATOM 0 HG12 ILE A 130 2.859 27.766 -2.465 1.00 17.55 H new ATOM 0 HG13 ILE A 130 2.040 27.780 -3.792 1.00 17.55 H new ATOM 0 HG21 ILE A 130 3.530 24.620 -2.501 1.00 16.15 H new ATOM 0 HG22 ILE A 130 4.774 24.639 -3.481 1.00 16.15 H new ATOM 0 HG23 ILE A 130 4.741 25.603 -2.224 1.00 16.15 H new ATOM 0 HD11 ILE A 130 0.677 27.087 -2.041 1.00 20.15 H new ATOM 0 HD12 ILE A 130 0.830 25.901 -3.079 1.00 20.15 H new ATOM 0 HD13 ILE A 130 1.662 25.886 -1.732 1.00 20.15 H new ATOM 979 N VAL A 131 5.989 25.967 -6.006 1.00 19.53 N ATOM 980 CA VAL A 131 7.229 25.295 -6.358 1.00 21.18 C ATOM 981 C VAL A 131 8.363 26.349 -6.441 1.00 22.38 C ATOM 982 O VAL A 131 9.472 26.108 -5.888 1.00 21.31 O ATOM 983 CB VAL A 131 7.128 24.458 -7.679 1.00 22.83 C ATOM 984 CG1 VAL A 131 8.416 23.674 -7.939 1.00 28.21 C ATOM 985 CG2 VAL A 131 5.930 23.473 -7.658 1.00 23.65 C ATOM 0 H VAL A 131 5.382 25.961 -6.615 1.00 19.53 H new ATOM 0 HA VAL A 131 7.427 24.649 -5.662 1.00 21.18 H new ATOM 0 HB VAL A 131 6.988 25.097 -8.395 1.00 22.83 H new ATOM 0 HG11 VAL A 131 8.326 23.166 -8.761 1.00 28.21 H new ATOM 0 HG12 VAL A 131 9.160 24.291 -8.021 1.00 28.21 H new ATOM 0 HG13 VAL A 131 8.580 23.067 -7.201 1.00 28.21 H new ATOM 0 HG21 VAL A 131 5.904 22.977 -8.491 1.00 23.65 H new ATOM 0 HG22 VAL A 131 6.032 22.855 -6.917 1.00 23.65 H new ATOM 0 HG23 VAL A 131 5.104 23.970 -7.553 1.00 23.65 H new ATOM 986 N GLY A 132 8.094 27.482 -7.113 1.00 21.28 N ATOM 987 CA GLY A 132 9.116 28.553 -7.202 1.00 23.17 C ATOM 988 C GLY A 132 9.591 29.101 -5.831 1.00 25.17 C ATOM 989 O GLY A 132 10.805 29.340 -5.640 1.00 26.03 O ATOM 0 H GLY A 132 7.352 27.650 -7.513 1.00 21.28 H new ATOM 0 HA2 GLY A 132 9.885 28.212 -7.686 1.00 23.17 H new ATOM 0 HA3 GLY A 132 8.755 29.287 -7.724 1.00 23.17 H new ATOM 990 N GLN A 133 8.653 29.298 -4.904 1.00 22.05 N ATOM 991 CA GLN A 133 8.932 29.894 -3.584 1.00 22.46 C ATOM 992 C GLN A 133 9.310 28.825 -2.520 1.00 22.99 C ATOM 993 O GLN A 133 9.629 29.155 -1.364 1.00 20.63 O ATOM 994 CB GLN A 133 7.665 30.681 -3.134 1.00 21.70 C ATOM 995 CG GLN A 133 7.241 31.866 -4.041 1.00 24.77 C ATOM 996 CD GLN A 133 8.335 32.926 -4.209 1.00 31.80 C ATOM 997 OE1 GLN A 133 9.422 32.852 -3.621 1.00 32.12 O ATOM 998 NE2 GLN A 133 8.084 33.894 -5.070 1.00 38.92 N ATOM 0 H GLN A 133 7.827 29.089 -5.020 1.00 22.05 H new ATOM 0 HA GLN A 133 9.697 30.485 -3.663 1.00 22.46 H new ATOM 0 HB2 GLN A 133 6.923 30.059 -3.077 1.00 21.70 H new ATOM 0 HB3 GLN A 133 7.819 31.021 -2.239 1.00 21.70 H new ATOM 0 HG2 GLN A 133 6.995 31.524 -4.915 1.00 24.77 H new ATOM 0 HG3 GLN A 133 6.450 32.284 -3.667 1.00 24.77 H new ATOM 0 HE21 GLN A 133 7.323 33.928 -5.469 1.00 38.92 H new ATOM 0 HE22 GLN A 133 8.682 34.491 -5.233 1.00 38.92 H new ATOM 999 N CYS A 134 9.277 27.552 -2.902 1.00 19.90 N ATOM 1000 CA CYS A 134 9.354 26.419 -1.929 1.00 19.89 C ATOM 1001 C CYS A 134 10.660 26.568 -1.090 1.00 23.10 C ATOM 1002 O CYS A 134 11.728 26.780 -1.661 1.00 23.33 O ATOM 1003 CB CYS A 134 9.428 25.109 -2.725 1.00 18.96 C ATOM 1004 SG CYS A 134 9.384 23.624 -1.696 1.00 19.00 S ATOM 0 H CYS A 134 9.210 27.304 -3.723 1.00 19.90 H new ATOM 0 HA CYS A 134 8.581 26.419 -1.344 1.00 19.89 H new ATOM 0 HB2 CYS A 134 8.688 25.079 -3.352 1.00 18.96 H new ATOM 0 HB3 CYS A 134 10.244 25.105 -3.249 1.00 18.96 H new ATOM 1005 N PRO A 135 10.583 26.434 0.252 1.00 24.20 N ATOM 1006 CA PRO A 135 11.817 26.469 1.075 1.00 23.84 C ATOM 1007 C PRO A 135 12.786 25.386 0.641 1.00 24.69 C ATOM 1008 O PRO A 135 12.370 24.276 0.265 1.00 22.44 O ATOM 1009 CB PRO A 135 11.309 26.121 2.492 1.00 23.93 C ATOM 1010 CG PRO A 135 9.861 26.407 2.498 1.00 23.57 C ATOM 1011 CD PRO A 135 9.361 26.437 1.072 1.00 21.99 C ATOM 0 HA PRO A 135 12.278 27.320 1.008 1.00 23.84 H new ATOM 0 HB2 PRO A 135 11.478 25.189 2.700 1.00 23.93 H new ATOM 0 HB3 PRO A 135 11.768 26.649 3.163 1.00 23.93 H new ATOM 0 HG2 PRO A 135 9.387 25.729 3.005 1.00 23.57 H new ATOM 0 HG3 PRO A 135 9.689 27.257 2.932 1.00 23.57 H new ATOM 0 HD2 PRO A 135 8.803 25.668 0.877 1.00 21.99 H new ATOM 0 HD3 PRO A 135 8.824 27.227 0.903 1.00 21.99 H new ATOM 1012 N ALA A 136 14.086 25.676 0.720 1.00 23.90 N ATOM 1013 CA ALA A 136 15.090 24.771 0.207 1.00 23.85 C ATOM 1014 C ALA A 136 14.963 23.384 0.774 1.00 23.54 C ATOM 1015 O ALA A 136 15.155 22.438 0.055 1.00 25.42 O ATOM 1016 CB ALA A 136 16.470 25.322 0.501 1.00 28.03 C ATOM 0 H ALA A 136 14.399 26.396 1.070 1.00 23.90 H new ATOM 0 HA ALA A 136 14.953 24.701 -0.751 1.00 23.85 H new ATOM 0 HB1 ALA A 136 17.142 24.713 0.156 1.00 28.03 H new ATOM 0 HB2 ALA A 136 16.570 26.188 0.076 1.00 28.03 H new ATOM 0 HB3 ALA A 136 16.583 25.418 1.460 1.00 28.03 H new ATOM 1017 N LYS A 137 14.651 23.215 2.071 1.00 21.88 N ATOM 1018 CA LYS A 137 14.589 21.871 2.615 1.00 21.62 C ATOM 1019 C LYS A 137 13.399 21.019 2.155 1.00 21.51 C ATOM 1020 O LYS A 137 13.387 19.752 2.258 1.00 21.42 O ATOM 1021 CB LYS A 137 14.613 21.966 4.134 1.00 29.10 C ATOM 1022 CG LYS A 137 16.010 21.811 4.664 1.00 35.45 C ATOM 1023 CD LYS A 137 16.059 22.187 6.116 1.00 46.05 C ATOM 1024 CE LYS A 137 16.345 23.673 6.191 1.00 55.19 C ATOM 1025 NZ LYS A 137 17.229 23.950 7.352 1.00 64.10 N ATOM 0 H LYS A 137 14.479 23.849 2.626 1.00 21.88 H new ATOM 0 HA LYS A 137 15.364 21.403 2.266 1.00 21.62 H new ATOM 0 HB2 LYS A 137 14.251 22.822 4.413 1.00 29.10 H new ATOM 0 HB3 LYS A 137 14.042 21.279 4.513 1.00 29.10 H new ATOM 0 HG2 LYS A 137 16.306 20.894 4.550 1.00 35.45 H new ATOM 0 HG3 LYS A 137 16.619 22.371 4.157 1.00 35.45 H new ATOM 0 HD2 LYS A 137 15.217 21.979 6.551 1.00 46.05 H new ATOM 0 HD3 LYS A 137 16.748 21.683 6.576 1.00 46.05 H new ATOM 0 HE2 LYS A 137 16.768 23.972 5.371 1.00 55.19 H new ATOM 0 HE3 LYS A 137 15.515 24.168 6.279 1.00 55.19 H new ATOM 0 HZ1 LYS A 137 17.397 24.823 7.396 1.00 64.10 H new ATOM 0 HZ2 LYS A 137 16.826 23.688 8.101 1.00 64.10 H new ATOM 0 HZ3 LYS A 137 17.994 23.506 7.256 1.00 64.10 H new ATOM 1026 N LEU A 138 12.409 21.692 1.620 1.00 17.90 N ATOM 1027 CA LEU A 138 11.197 21.000 1.112 1.00 18.70 C ATOM 1028 C LEU A 138 11.180 20.738 -0.414 1.00 19.57 C ATOM 1029 O LEU A 138 10.250 20.072 -0.908 1.00 19.63 O ATOM 1030 CB LEU A 138 9.927 21.829 1.467 1.00 18.01 C ATOM 1031 CG LEU A 138 9.699 22.047 2.972 1.00 18.00 C ATOM 1032 CD1 LEU A 138 8.370 22.767 3.010 1.00 19.63 C ATOM 1033 CD2 LEU A 138 9.648 20.687 3.737 1.00 16.86 C ATOM 0 H LEU A 138 12.398 22.547 1.532 1.00 17.90 H new ATOM 0 HA LEU A 138 11.208 20.133 1.547 1.00 18.70 H new ATOM 0 HB2 LEU A 138 9.990 22.694 1.034 1.00 18.01 H new ATOM 0 HB3 LEU A 138 9.150 21.382 1.096 1.00 18.01 H new ATOM 0 HG LEU A 138 10.410 22.547 3.404 1.00 18.00 H new ATOM 0 HD11 LEU A 138 8.130 22.955 3.931 1.00 19.63 H new ATOM 0 HD12 LEU A 138 8.439 23.600 2.518 1.00 19.63 H new ATOM 0 HD13 LEU A 138 7.688 22.209 2.606 1.00 19.63 H new ATOM 0 HD21 LEU A 138 9.504 20.852 4.682 1.00 16.86 H new ATOM 0 HD22 LEU A 138 8.921 20.147 3.389 1.00 16.86 H new ATOM 0 HD23 LEU A 138 10.487 20.216 3.616 1.00 16.86 H new ATOM 1034 N LYS A 139 12.134 21.294 -1.158 1.00 17.51 N ATOM 1035 CA LYS A 139 12.134 21.137 -2.624 1.00 20.62 C ATOM 1036 C LYS A 139 12.352 19.706 -2.986 1.00 20.49 C ATOM 1037 O LYS A 139 13.230 19.069 -2.439 1.00 19.87 O ATOM 1038 CB LYS A 139 13.253 21.940 -3.289 1.00 23.23 C ATOM 1039 CG LYS A 139 12.982 23.399 -3.362 1.00 30.64 C ATOM 1040 CD LYS A 139 14.049 24.097 -4.188 1.00 44.33 C ATOM 1041 CE LYS A 139 13.798 25.591 -4.269 1.00 54.48 C ATOM 1042 NZ LYS A 139 15.136 26.256 -4.234 1.00 65.22 N ATOM 0 H LYS A 139 12.785 21.761 -0.845 1.00 17.51 H new ATOM 0 HA LYS A 139 11.273 21.458 -2.935 1.00 20.62 H new ATOM 0 HB2 LYS A 139 14.078 21.797 -2.799 1.00 23.23 H new ATOM 0 HB3 LYS A 139 13.394 21.600 -4.187 1.00 23.23 H new ATOM 0 HG2 LYS A 139 12.109 23.552 -3.756 1.00 30.64 H new ATOM 0 HG3 LYS A 139 12.960 23.775 -2.468 1.00 30.64 H new ATOM 0 HD2 LYS A 139 14.921 23.935 -3.796 1.00 44.33 H new ATOM 0 HD3 LYS A 139 14.065 23.721 -5.082 1.00 44.33 H new ATOM 0 HE2 LYS A 139 13.323 25.816 -5.084 1.00 54.48 H new ATOM 0 HE3 LYS A 139 13.247 25.888 -3.528 1.00 54.48 H new ATOM 0 HZ1 LYS A 139 15.030 27.139 -4.280 1.00 65.22 H new ATOM 0 HZ2 LYS A 139 15.552 26.046 -3.476 1.00 65.22 H new ATOM 0 HZ3 LYS A 139 15.623 25.980 -4.926 1.00 65.22 H new ATOM 1043 N ALA A 140 11.549 19.180 -3.892 1.00 20.65 N ATOM 1044 CA ALA A 140 11.761 17.830 -4.349 1.00 24.01 C ATOM 1045 C ALA A 140 12.549 17.899 -5.690 1.00 29.60 C ATOM 1046 O ALA A 140 12.184 18.695 -6.562 1.00 29.48 O ATOM 1047 CB ALA A 140 10.431 17.081 -4.538 1.00 26.63 C ATOM 0 H ALA A 140 10.881 19.587 -4.251 1.00 20.65 H new ATOM 0 HA ALA A 140 12.266 17.337 -3.683 1.00 24.01 H new ATOM 0 HB1 ALA A 140 10.609 16.178 -4.845 1.00 26.63 H new ATOM 0 HB2 ALA A 140 9.956 17.047 -3.693 1.00 26.63 H new ATOM 0 HB3 ALA A 140 9.889 17.545 -5.195 1.00 26.63 H new ATOM 1048 N PRO A 141 13.634 17.084 -5.831 1.00 35.67 N ATOM 1049 CA PRO A 141 14.473 16.967 -7.051 1.00 39.20 C ATOM 1050 C PRO A 141 13.562 16.712 -8.258 1.00 37.74 C ATOM 1051 O PRO A 141 13.617 17.478 -9.241 1.00 44.42 O ATOM 1052 CB PRO A 141 15.342 15.751 -6.729 1.00 37.47 C ATOM 1053 CG PRO A 141 15.514 15.832 -5.253 1.00 37.51 C ATOM 1054 CD PRO A 141 14.103 16.127 -4.806 1.00 35.60 C ATOM 0 HA PRO A 141 14.999 17.753 -7.269 1.00 39.20 H new ATOM 0 HB2 PRO A 141 14.911 14.923 -6.994 1.00 37.47 H new ATOM 0 HB3 PRO A 141 16.194 15.788 -7.191 1.00 37.47 H new ATOM 0 HG2 PRO A 141 15.851 15.003 -4.878 1.00 37.51 H new ATOM 0 HG3 PRO A 141 16.133 16.532 -4.995 1.00 37.51 H new ATOM 0 HD2 PRO A 141 13.557 15.326 -4.784 1.00 35.60 H new ATOM 0 HD3 PRO A 141 14.079 16.511 -3.916 1.00 35.60 H new ATOM 1055 N GLY A 142 12.640 15.754 -8.101 1.00 41.81 N ATOM 1056 CA GLY A 142 11.587 15.494 -9.086 1.00 40.54 C ATOM 1057 C GLY A 142 10.851 16.683 -9.679 1.00 38.75 C ATOM 1058 O GLY A 142 10.339 16.614 -10.798 1.00 40.29 O ATOM 0 H GLY A 142 12.610 15.235 -7.416 1.00 41.81 H new ATOM 0 HA2 GLY A 142 11.982 14.995 -9.818 1.00 40.54 H new ATOM 0 HA3 GLY A 142 10.929 14.915 -8.671 1.00 40.54 H new ATOM 1059 N GLY A 143 10.810 17.799 -8.965 1.00 38.27 N ATOM 1060 CA GLY A 143 9.837 18.880 -9.242 1.00 33.23 C ATOM 1061 C GLY A 143 8.853 18.863 -8.043 1.00 32.70 C ATOM 1062 O GLY A 143 8.609 17.812 -7.359 1.00 33.89 O ATOM 0 H GLY A 143 11.338 17.962 -8.306 1.00 38.27 H new ATOM 0 HA2 GLY A 143 10.281 19.739 -9.318 1.00 33.23 H new ATOM 0 HA3 GLY A 143 9.372 18.726 -10.079 1.00 33.23 H new ATOM 1063 N GLY A 144 8.337 20.013 -7.688 1.00 26.25 N ATOM 1064 CA GLY A 144 7.358 19.978 -6.606 1.00 20.42 C ATOM 1065 C GLY A 144 7.943 20.428 -5.291 1.00 18.06 C ATOM 1066 O GLY A 144 9.182 20.582 -5.149 1.00 18.33 O ATOM 0 H GLY A 144 8.516 20.783 -8.027 1.00 26.25 H new ATOM 0 HA2 GLY A 144 6.606 20.546 -6.835 1.00 20.42 H new ATOM 0 HA3 GLY A 144 7.014 19.076 -6.513 1.00 20.42 H new ATOM 1067 N CYS A 145 7.043 20.639 -4.356 1.00 16.06 N ATOM 1068 CA CYS A 145 7.360 21.134 -2.993 1.00 15.39 C ATOM 1069 C CYS A 145 6.755 20.150 -2.009 1.00 15.24 C ATOM 1070 O CYS A 145 5.519 20.098 -1.831 1.00 15.24 O ATOM 1071 CB CYS A 145 6.794 22.559 -2.783 1.00 15.35 C ATOM 1072 SG CYS A 145 7.430 23.359 -1.268 1.00 17.41 S ATOM 0 H CYS A 145 6.203 20.501 -4.480 1.00 16.06 H new ATOM 0 HA CYS A 145 8.319 21.194 -2.861 1.00 15.39 H new ATOM 0 HB2 CYS A 145 7.017 23.107 -3.551 1.00 15.35 H new ATOM 0 HB3 CYS A 145 5.826 22.514 -2.738 1.00 15.35 H new ATOM 1073 N ASN A 146 7.611 19.417 -1.297 1.00 14.59 N ATOM 1074 CA ASN A 146 7.111 18.441 -0.300 1.00 16.47 C ATOM 1075 C ASN A 146 6.526 19.076 0.921 1.00 14.56 C ATOM 1076 O ASN A 146 6.950 20.189 1.342 1.00 15.81 O ATOM 1077 CB ASN A 146 8.244 17.555 0.219 1.00 17.81 C ATOM 1078 CG ASN A 146 8.694 16.537 -0.799 1.00 23.05 C ATOM 1079 OD1 ASN A 146 7.896 15.776 -1.335 1.00 22.63 O ATOM 1080 ND2 ASN A 146 10.021 16.521 -1.060 1.00 28.56 N ATOM 0 H ASN A 146 8.467 19.460 -1.366 1.00 14.59 H new ATOM 0 HA ASN A 146 6.431 17.942 -0.779 1.00 16.47 H new ATOM 0 HB2 ASN A 146 8.997 18.112 0.470 1.00 17.81 H new ATOM 0 HB3 ASN A 146 7.950 17.097 1.022 1.00 17.81 H new ATOM 0 HD21 ASN A 146 10.341 15.958 -1.626 1.00 28.56 H new ATOM 0 HD22 ASN A 146 10.545 17.074 -0.660 1.00 28.56 H new ATOM 1081 N ASP A 147 5.608 18.373 1.562 1.00 13.69 N ATOM 1082 CA ASP A 147 5.196 18.763 2.936 1.00 13.97 C ATOM 1083 C ASP A 147 6.277 18.336 3.934 1.00 14.00 C ATOM 1084 O ASP A 147 7.201 17.467 3.602 1.00 12.73 O ATOM 1085 CB ASP A 147 3.903 18.065 3.279 1.00 15.51 C ATOM 1086 CG ASP A 147 4.091 16.567 3.343 1.00 16.54 C ATOM 1087 OD1 ASP A 147 4.112 15.944 2.285 1.00 17.21 O ATOM 1088 OD2 ASP A 147 4.237 16.013 4.464 1.00 17.16 O ATOM 0 H ASP A 147 5.210 17.681 1.244 1.00 13.69 H new ATOM 0 HA ASP A 147 5.075 19.724 2.980 1.00 13.97 H new ATOM 0 HB2 ASP A 147 3.574 18.389 4.132 1.00 15.51 H new ATOM 0 HB3 ASP A 147 3.230 18.281 2.615 1.00 15.51 H new ATOM 1089 N ALA A 148 6.208 18.900 5.150 1.00 12.78 N ATOM 1090 CA ALA A 148 7.302 18.651 6.126 1.00 13.43 C ATOM 1091 C ALA A 148 7.166 17.248 6.727 1.00 12.90 C ATOM 1092 O ALA A 148 8.186 16.663 7.172 1.00 14.78 O ATOM 1093 CB ALA A 148 7.180 19.688 7.273 1.00 12.67 C ATOM 0 H ALA A 148 5.571 19.407 5.427 1.00 12.78 H new ATOM 0 HA ALA A 148 8.158 18.726 5.676 1.00 13.43 H new ATOM 0 HB1 ALA A 148 7.887 19.540 7.920 1.00 12.67 H new ATOM 0 HB2 ALA A 148 7.258 20.584 6.909 1.00 12.67 H new ATOM 0 HB3 ALA A 148 6.319 19.590 7.708 1.00 12.67 H new ATOM 1094 N CYS A 149 5.926 16.704 6.800 1.00 14.18 N ATOM 1095 CA CYS A 149 5.788 15.328 7.337 1.00 14.44 C ATOM 1096 C CYS A 149 6.585 14.357 6.444 1.00 15.24 C ATOM 1097 O CYS A 149 7.423 13.551 6.890 1.00 14.73 O ATOM 1098 CB CYS A 149 4.284 14.950 7.455 1.00 15.53 C ATOM 1099 SG CYS A 149 4.072 13.174 7.806 1.00 17.22 S ATOM 0 H CYS A 149 5.196 17.089 6.559 1.00 14.18 H new ATOM 0 HA CYS A 149 6.157 15.272 8.232 1.00 14.44 H new ATOM 0 HB2 CYS A 149 3.872 15.473 8.160 1.00 15.53 H new ATOM 0 HB3 CYS A 149 3.826 15.176 6.630 1.00 15.53 H new ATOM 1100 N THR A 150 6.323 14.390 5.148 1.00 15.08 N ATOM 1101 CA THR A 150 7.091 13.588 4.173 1.00 16.22 C ATOM 1102 C THR A 150 8.583 13.682 4.320 1.00 17.21 C ATOM 1103 O THR A 150 9.279 12.626 4.317 1.00 16.92 O ATOM 1104 CB THR A 150 6.702 14.024 2.739 1.00 18.46 C ATOM 1105 OG1 THR A 150 5.353 13.628 2.541 1.00 18.08 O ATOM 1106 CG2 THR A 150 7.510 13.374 1.654 1.00 20.20 C ATOM 0 H THR A 150 5.702 14.871 4.798 1.00 15.08 H new ATOM 0 HA THR A 150 6.859 12.663 4.349 1.00 16.22 H new ATOM 0 HB THR A 150 6.856 14.980 2.678 1.00 18.46 H new ATOM 0 HG1 THR A 150 4.878 14.308 2.408 1.00 18.08 H new ATOM 0 HG21 THR A 150 7.209 13.696 0.790 1.00 20.20 H new ATOM 0 HG22 THR A 150 8.447 13.594 1.772 1.00 20.20 H new ATOM 0 HG23 THR A 150 7.396 12.412 1.698 1.00 20.20 H new ATOM 1107 N VAL A 151 9.098 14.885 4.448 1.00 15.68 N ATOM 1108 CA VAL A 151 10.560 15.090 4.533 1.00 15.69 C ATOM 1109 C VAL A 151 11.119 14.616 5.871 1.00 17.16 C ATOM 1110 O VAL A 151 12.097 13.921 5.904 1.00 15.90 O ATOM 1111 CB VAL A 151 10.926 16.600 4.260 1.00 16.02 C ATOM 1112 CG1 VAL A 151 12.406 16.929 4.464 1.00 16.12 C ATOM 1113 CG2 VAL A 151 10.467 17.040 2.867 1.00 17.37 C ATOM 0 H VAL A 151 8.633 15.607 4.489 1.00 15.68 H new ATOM 0 HA VAL A 151 10.976 14.549 3.844 1.00 15.69 H new ATOM 0 HB VAL A 151 10.441 17.106 4.931 1.00 16.02 H new ATOM 0 HG11 VAL A 151 12.557 17.869 4.280 1.00 16.12 H new ATOM 0 HG12 VAL A 151 12.657 16.735 5.381 1.00 16.12 H new ATOM 0 HG13 VAL A 151 12.943 16.391 3.861 1.00 16.12 H new ATOM 0 HG21 VAL A 151 10.704 17.970 2.727 1.00 17.37 H new ATOM 0 HG22 VAL A 151 10.900 16.491 2.195 1.00 17.37 H new ATOM 0 HG23 VAL A 151 9.505 16.938 2.796 1.00 17.37 H new ATOM 1114 N PHE A 152 10.556 15.109 6.982 1.00 17.47 N ATOM 1115 CA PHE A 152 11.180 14.936 8.283 1.00 16.84 C ATOM 1116 C PHE A 152 10.645 13.817 9.129 1.00 15.76 C ATOM 1117 O PHE A 152 11.331 13.394 10.060 1.00 19.02 O ATOM 1118 CB PHE A 152 11.073 16.264 9.065 1.00 13.63 C ATOM 1119 CG PHE A 152 11.859 17.349 8.449 1.00 14.69 C ATOM 1120 CD1 PHE A 152 13.235 17.291 8.465 1.00 17.07 C ATOM 1121 CD2 PHE A 152 11.244 18.377 7.749 1.00 15.26 C ATOM 1122 CE1 PHE A 152 14.010 18.287 7.871 1.00 18.02 C ATOM 1123 CE2 PHE A 152 12.009 19.385 7.155 1.00 16.05 C ATOM 1124 CZ PHE A 152 13.395 19.325 7.214 1.00 16.51 C ATOM 0 H PHE A 152 9.815 15.544 6.995 1.00 17.47 H new ATOM 0 HA PHE A 152 12.098 14.685 8.096 1.00 16.84 H new ATOM 0 HB2 PHE A 152 10.142 16.532 9.115 1.00 13.63 H new ATOM 0 HB3 PHE A 152 11.378 16.125 9.975 1.00 13.63 H new ATOM 0 HD1 PHE A 152 13.656 16.573 8.880 1.00 17.07 H new ATOM 0 HD2 PHE A 152 10.317 18.396 7.675 1.00 15.26 H new ATOM 0 HE1 PHE A 152 14.938 18.249 7.919 1.00 18.02 H new ATOM 0 HE2 PHE A 152 11.591 20.094 6.722 1.00 16.05 H new ATOM 0 HZ PHE A 152 13.907 19.987 6.809 1.00 16.51 H new ATOM 1125 N GLN A 153 9.408 13.338 8.902 1.00 16.87 N ATOM 1126 CA GLN A 153 8.853 12.177 9.624 1.00 16.64 C ATOM 1127 C GLN A 153 8.821 12.357 11.192 1.00 18.58 C ATOM 1128 O GLN A 153 9.259 11.472 11.906 1.00 16.11 O ATOM 1129 CB GLN A 153 9.604 10.869 9.215 1.00 19.05 C ATOM 1130 CG GLN A 153 9.501 10.478 7.713 1.00 20.57 C ATOM 1131 CD GLN A 153 8.155 9.876 7.445 1.00 28.11 C ATOM 1132 OE1 GLN A 153 7.934 8.691 7.650 1.00 27.11 O ATOM 1133 NE2 GLN A 153 7.224 10.688 6.979 1.00 28.44 N ATOM 0 H GLN A 153 8.869 13.678 8.325 1.00 16.87 H new ATOM 0 HA GLN A 153 7.924 12.106 9.355 1.00 16.64 H new ATOM 0 HB2 GLN A 153 10.541 10.968 9.443 1.00 19.05 H new ATOM 0 HB3 GLN A 153 9.258 10.136 9.748 1.00 19.05 H new ATOM 0 HG2 GLN A 153 9.633 11.261 7.155 1.00 20.57 H new ATOM 0 HG3 GLN A 153 10.200 9.846 7.485 1.00 20.57 H new ATOM 0 HE21 GLN A 153 7.406 11.518 6.844 1.00 28.44 H new ATOM 0 HE22 GLN A 153 6.436 10.387 6.811 1.00 28.44 H new ATOM 1134 N THR A 154 8.406 13.548 11.679 1.00 16.56 N ATOM 1135 CA THR A 154 8.275 13.819 13.126 1.00 15.33 C ATOM 1136 C THR A 154 6.794 13.752 13.523 1.00 15.54 C ATOM 1137 O THR A 154 5.884 13.987 12.713 1.00 14.11 O ATOM 1138 CB THR A 154 8.873 15.150 13.549 1.00 15.27 C ATOM 1139 OG1 THR A 154 8.047 16.185 13.039 1.00 17.41 O ATOM 1140 CG2 THR A 154 10.341 15.313 13.071 1.00 19.02 C ATOM 0 H THR A 154 8.195 14.215 11.179 1.00 16.56 H new ATOM 0 HA THR A 154 8.783 13.136 13.591 1.00 15.33 H new ATOM 0 HB THR A 154 8.904 15.193 14.518 1.00 15.27 H new ATOM 0 HG1 THR A 154 8.412 16.529 12.365 1.00 17.41 H new ATOM 0 HG21 THR A 154 10.682 16.173 13.361 1.00 19.02 H new ATOM 0 HG22 THR A 154 10.885 14.605 13.450 1.00 19.02 H new ATOM 0 HG23 THR A 154 10.374 15.263 12.103 1.00 19.02 H new ATOM 1141 N SER A 155 6.556 13.506 14.814 1.00 15.94 N ATOM 1142 CA SER A 155 5.206 13.528 15.337 1.00 15.79 C ATOM 1143 C SER A 155 4.534 14.873 15.138 1.00 14.99 C ATOM 1144 O SER A 155 3.335 14.908 14.855 1.00 16.15 O ATOM 1145 CB SER A 155 5.234 13.307 16.846 1.00 19.91 C ATOM 1146 OG SER A 155 5.400 11.949 17.035 1.00 28.54 O ATOM 0 H SER A 155 7.165 13.326 15.394 1.00 15.94 H new ATOM 0 HA SER A 155 4.721 12.834 14.863 1.00 15.79 H new ATOM 0 HB2 SER A 155 5.959 13.805 17.255 1.00 19.91 H new ATOM 0 HB3 SER A 155 4.411 13.616 17.256 1.00 19.91 H new ATOM 0 HG SER A 155 5.422 11.781 17.858 1.00 28.54 H new ATOM 1147 N GLU A 156 5.281 15.953 15.300 1.00 14.82 N ATOM 1148 CA GLU A 156 4.748 17.318 15.130 1.00 13.68 C ATOM 1149 C GLU A 156 4.278 17.574 13.696 1.00 15.45 C ATOM 1150 O GLU A 156 3.175 18.031 13.489 1.00 15.76 O ATOM 1151 CB GLU A 156 5.734 18.380 15.534 1.00 13.74 C ATOM 1152 CG GLU A 156 5.085 19.773 15.721 1.00 16.75 C ATOM 1153 CD GLU A 156 3.974 19.826 16.789 1.00 18.01 C ATOM 1154 OE1 GLU A 156 3.847 18.898 17.631 1.00 19.60 O ATOM 1155 OE2 GLU A 156 3.192 20.811 16.812 1.00 19.71 O ATOM 0 H GLU A 156 6.114 15.927 15.512 1.00 14.82 H new ATOM 0 HA GLU A 156 3.984 17.374 15.725 1.00 13.68 H new ATOM 0 HB2 GLU A 156 6.164 18.116 16.362 1.00 13.74 H new ATOM 0 HB3 GLU A 156 6.429 18.441 14.860 1.00 13.74 H new ATOM 0 HG2 GLU A 156 5.777 20.410 15.959 1.00 16.75 H new ATOM 0 HG3 GLU A 156 4.715 20.061 14.872 1.00 16.75 H new ATOM 1156 N TYR A 157 5.107 17.292 12.717 1.00 15.17 N ATOM 1157 CA TYR A 157 4.724 17.566 11.318 1.00 15.45 C ATOM 1158 C TYR A 157 3.642 16.584 10.837 1.00 17.51 C ATOM 1159 O TYR A 157 2.776 16.966 10.066 1.00 16.28 O ATOM 1160 CB TYR A 157 5.943 17.421 10.404 1.00 14.28 C ATOM 1161 CG TYR A 157 7.002 18.461 10.626 1.00 14.95 C ATOM 1162 CD1 TYR A 157 6.661 19.783 10.871 1.00 15.20 C ATOM 1163 CD2 TYR A 157 8.329 18.114 10.578 1.00 13.95 C ATOM 1164 CE1 TYR A 157 7.625 20.761 11.126 1.00 14.51 C ATOM 1165 CE2 TYR A 157 9.313 19.094 10.747 1.00 15.16 C ATOM 1166 CZ TYR A 157 8.943 20.394 11.057 1.00 14.55 C ATOM 1167 OH TYR A 157 9.905 21.328 11.280 1.00 14.71 O ATOM 0 H TYR A 157 5.888 16.947 12.821 1.00 15.17 H new ATOM 0 HA TYR A 157 4.377 18.471 11.281 1.00 15.45 H new ATOM 0 HB2 TYR A 157 6.333 16.543 10.537 1.00 14.28 H new ATOM 0 HB3 TYR A 157 5.650 17.464 9.480 1.00 14.28 H new ATOM 0 HD1 TYR A 157 5.763 20.026 10.865 1.00 15.20 H new ATOM 0 HD2 TYR A 157 8.574 17.229 10.433 1.00 13.95 H new ATOM 0 HE1 TYR A 157 7.380 21.633 11.336 1.00 14.51 H new ATOM 0 HE2 TYR A 157 10.212 18.874 10.652 1.00 15.16 H new ATOM 0 HH TYR A 157 10.635 21.060 10.962 1.00 14.71 H new ATOM 1168 N CYS A 158 3.700 15.325 11.279 1.00 16.30 N ATOM 1169 CA CYS A 158 2.723 14.286 10.837 1.00 16.74 C ATOM 1170 C CYS A 158 1.470 14.260 11.709 1.00 19.82 C ATOM 1171 O CYS A 158 0.499 13.585 11.325 1.00 18.66 O ATOM 1172 CB CYS A 158 3.399 12.900 10.785 1.00 15.23 C ATOM 1173 SG CYS A 158 4.849 12.935 9.686 1.00 17.58 S ATOM 0 H CYS A 158 4.292 15.040 11.834 1.00 16.30 H new ATOM 0 HA CYS A 158 2.431 14.522 9.942 1.00 16.74 H new ATOM 0 HB2 CYS A 158 3.670 12.633 11.677 1.00 15.23 H new ATOM 0 HB3 CYS A 158 2.765 12.237 10.471 1.00 15.23 H new ATOM 1174 N CYS A 159 1.440 15.056 12.797 1.00 19.28 N ATOM 1175 CA CYS A 159 0.352 15.079 13.812 1.00 22.27 C ATOM 1176 C CYS A 159 -0.045 13.713 14.240 1.00 22.97 C ATOM 1177 O CYS A 159 -1.236 13.421 14.410 1.00 22.19 O ATOM 1178 CB CYS A 159 -0.969 15.781 13.400 1.00 29.82 C ATOM 1179 SG CYS A 159 -0.648 17.360 12.672 1.00 41.73 S ATOM 0 H CYS A 159 2.070 15.615 12.972 1.00 19.28 H new ATOM 0 HA CYS A 159 0.768 15.597 14.519 1.00 22.27 H new ATOM 0 HB2 CYS A 159 -1.453 15.223 12.771 1.00 29.82 H new ATOM 0 HB3 CYS A 159 -1.538 15.890 14.178 1.00 29.82 H new ATOM 1180 N THR A 160 0.951 12.904 14.522 1.00 24.87 N ATOM 1181 CA THR A 160 0.714 11.484 14.810 1.00 26.41 C ATOM 1182 C THR A 160 0.098 11.342 16.200 1.00 28.10 C ATOM 1183 O THR A 160 -0.612 10.419 16.426 1.00 31.27 O ATOM 1184 CB THR A 160 2.017 10.660 14.742 1.00 28.52 C ATOM 1185 OG1 THR A 160 2.851 11.103 15.766 1.00 35.58 O ATOM 1186 CG2 THR A 160 2.773 11.041 13.599 1.00 26.99 C ATOM 0 H THR A 160 1.776 13.145 14.555 1.00 24.87 H new ATOM 0 HA THR A 160 0.107 11.141 14.135 1.00 26.41 H new ATOM 0 HB THR A 160 1.777 9.720 14.762 1.00 28.52 H new ATOM 0 HG1 THR A 160 3.569 10.667 15.751 1.00 35.58 H new ATOM 0 HG21 THR A 160 3.590 10.519 13.563 1.00 26.99 H new ATOM 0 HG22 THR A 160 2.251 10.880 12.797 1.00 26.99 H new ATOM 0 HG23 THR A 160 2.994 11.984 13.657 1.00 26.99 H new ATOM 1187 N THR A 161 0.346 12.235 17.139 1.00 27.73 N ATOM 1188 CA THR A 161 -0.307 12.027 18.431 1.00 32.32 C ATOM 1189 C THR A 161 -1.714 12.585 18.411 1.00 35.71 C ATOM 1190 O THR A 161 -2.367 12.525 19.436 1.00 38.64 O ATOM 1191 CB THR A 161 0.408 12.751 19.579 1.00 32.82 C ATOM 1192 OG1 THR A 161 0.057 14.141 19.515 1.00 33.54 O ATOM 1193 CG2 THR A 161 1.933 12.663 19.508 1.00 31.56 C ATOM 0 H THR A 161 0.853 12.926 17.067 1.00 27.73 H new ATOM 0 HA THR A 161 -0.291 11.068 18.576 1.00 32.32 H new ATOM 0 HB THR A 161 0.127 12.321 20.402 1.00 32.82 H new ATOM 0 HG1 THR A 161 0.371 14.478 18.813 1.00 33.54 H new ATOM 0 HG21 THR A 161 2.320 13.139 20.259 1.00 31.56 H new ATOM 0 HG22 THR A 161 2.205 11.733 19.540 1.00 31.56 H new ATOM 0 HG23 THR A 161 2.242 13.061 18.679 1.00 31.56 H new ATOM 1194 N GLY A 162 -2.150 13.205 17.299 1.00 31.95 N ATOM 1195 CA GLY A 162 -3.447 13.864 17.190 1.00 34.46 C ATOM 1196 C GLY A 162 -3.452 15.266 17.781 1.00 35.95 C ATOM 1197 O GLY A 162 -4.458 15.963 17.727 1.00 36.32 O ATOM 0 H GLY A 162 -1.684 13.250 16.578 1.00 31.95 H new ATOM 0 HA2 GLY A 162 -3.703 13.911 16.256 1.00 34.46 H new ATOM 0 HA3 GLY A 162 -4.117 13.326 17.641 1.00 34.46 H new ATOM 1198 N LYS A 163 -2.327 15.677 18.371 1.00 37.02 N ATOM 1199 CA LYS A 163 -2.098 17.049 18.851 1.00 36.84 C ATOM 1200 C LYS A 163 -0.876 17.591 18.130 1.00 36.10 C ATOM 1201 O LYS A 163 0.239 17.034 18.213 1.00 40.53 O ATOM 1202 CB LYS A 163 -1.835 17.070 20.360 1.00 43.65 C ATOM 1203 CG LYS A 163 -3.120 17.152 21.158 1.00 59.71 C ATOM 1204 CD LYS A 163 -3.092 16.302 22.417 1.00 67.24 C ATOM 1205 CE LYS A 163 -4.495 16.289 23.018 1.00 74.08 C ATOM 1206 NZ LYS A 163 -4.862 14.964 23.594 1.00 77.22 N ATOM 0 H LYS A 163 -1.658 15.154 18.508 1.00 37.02 H new ATOM 0 HA LYS A 163 -2.885 17.588 18.674 1.00 36.84 H new ATOM 0 HB2 LYS A 163 -1.348 16.271 20.614 1.00 43.65 H new ATOM 0 HB3 LYS A 163 -1.270 17.828 20.579 1.00 43.65 H new ATOM 0 HG2 LYS A 163 -3.285 18.076 21.401 1.00 59.71 H new ATOM 0 HG3 LYS A 163 -3.861 16.869 20.599 1.00 59.71 H new ATOM 0 HD2 LYS A 163 -2.805 15.399 22.209 1.00 67.24 H new ATOM 0 HD3 LYS A 163 -2.455 16.662 23.054 1.00 67.24 H new ATOM 0 HE2 LYS A 163 -4.552 16.966 23.711 1.00 74.08 H new ATOM 0 HE3 LYS A 163 -5.138 16.529 22.333 1.00 74.08 H new ATOM 0 HZ1 LYS A 163 -5.685 15.004 23.931 1.00 77.22 H new ATOM 0 HZ2 LYS A 163 -4.833 14.344 22.956 1.00 77.22 H new ATOM 0 HZ3 LYS A 163 -4.287 14.751 24.239 1.00 77.22 H new ATOM 1207 N CYS A 164 -1.053 18.663 17.401 1.00 26.42 N ATOM 1208 CA CYS A 164 0.085 19.286 16.690 1.00 24.11 C ATOM 1209 C CYS A 164 -0.345 20.711 16.415 1.00 23.38 C ATOM 1210 O CYS A 164 -1.557 21.022 16.351 1.00 25.13 O ATOM 1211 CB CYS A 164 0.425 18.602 15.342 1.00 24.87 C ATOM 1212 SG CYS A 164 -1.038 18.578 14.241 1.00 26.02 S ATOM 0 H CYS A 164 -1.809 19.059 17.292 1.00 26.42 H new ATOM 0 HA CYS A 164 0.883 19.211 17.236 1.00 24.11 H new ATOM 0 HB2 CYS A 164 1.153 19.074 14.909 1.00 24.87 H new ATOM 0 HB3 CYS A 164 0.730 17.695 15.502 1.00 24.87 H new ATOM 1213 N GLY A 165 0.612 21.582 16.191 1.00 20.25 N ATOM 1214 CA GLY A 165 0.221 22.943 15.866 1.00 20.46 C ATOM 1215 C GLY A 165 0.733 23.272 14.474 1.00 20.56 C ATOM 1216 O GLY A 165 1.483 22.482 13.876 1.00 19.38 O ATOM 0 H GLY A 165 1.457 21.424 16.218 1.00 20.25 H new ATOM 0 HA2 GLY A 165 -0.744 23.034 15.900 1.00 20.46 H new ATOM 0 HA3 GLY A 165 0.588 23.563 16.515 1.00 20.46 H new ATOM 1217 N PRO A 166 0.385 24.474 13.980 1.00 18.63 N ATOM 1218 CA PRO A 166 1.045 24.929 12.759 1.00 17.32 C ATOM 1219 C PRO A 166 2.588 25.073 12.934 1.00 17.60 C ATOM 1220 O PRO A 166 3.132 25.193 14.069 1.00 15.45 O ATOM 1221 CB PRO A 166 0.397 26.272 12.473 1.00 17.94 C ATOM 1222 CG PRO A 166 -0.208 26.694 13.745 1.00 20.78 C ATOM 1223 CD PRO A 166 -0.309 25.550 14.709 1.00 19.06 C ATOM 0 HA PRO A 166 0.939 24.294 12.034 1.00 17.32 H new ATOM 0 HB2 PRO A 166 1.052 26.918 12.167 1.00 17.94 H new ATOM 0 HB3 PRO A 166 -0.273 26.195 11.776 1.00 17.94 H new ATOM 0 HG2 PRO A 166 0.323 27.404 14.138 1.00 20.78 H new ATOM 0 HG3 PRO A 166 -1.091 27.059 13.580 1.00 20.78 H new ATOM 0 HD2 PRO A 166 0.119 25.750 15.556 1.00 19.06 H new ATOM 0 HD3 PRO A 166 -1.231 25.320 14.905 1.00 19.06 H new ATOM 1224 N THR A 167 3.308 25.025 11.835 1.00 15.74 N ATOM 1225 CA THR A 167 4.776 25.091 11.860 1.00 15.49 C ATOM 1226 C THR A 167 5.296 26.099 10.879 1.00 17.19 C ATOM 1227 O THR A 167 4.549 26.619 10.037 1.00 18.45 O ATOM 1228 CB THR A 167 5.365 23.711 11.503 1.00 16.04 C ATOM 1229 OG1 THR A 167 5.009 23.402 10.130 1.00 15.12 O ATOM 1230 CG2 THR A 167 4.824 22.672 12.431 1.00 14.46 C ATOM 0 H THR A 167 2.972 24.953 11.047 1.00 15.74 H new ATOM 0 HA THR A 167 5.044 25.356 12.754 1.00 15.49 H new ATOM 0 HB THR A 167 6.331 23.724 11.594 1.00 16.04 H new ATOM 0 HG1 THR A 167 4.507 22.729 10.115 1.00 15.12 H new ATOM 0 HG21 THR A 167 5.198 21.807 12.202 1.00 14.46 H new ATOM 0 HG22 THR A 167 5.065 22.896 13.344 1.00 14.46 H new ATOM 0 HG23 THR A 167 3.858 22.638 12.351 1.00 14.46 H new ATOM 1231 N GLU A 168 6.580 26.421 10.927 1.00 16.71 N ATOM 1232 CA GLU A 168 7.134 27.270 9.884 1.00 18.69 C ATOM 1233 C GLU A 168 6.808 26.759 8.468 1.00 18.74 C ATOM 1234 O GLU A 168 6.489 27.543 7.582 1.00 15.91 O ATOM 1235 CB GLU A 168 8.698 27.317 10.022 1.00 22.90 C ATOM 1236 CG GLU A 168 9.288 28.624 9.609 1.00 39.09 C ATOM 1237 CD GLU A 168 9.059 29.736 10.624 1.00 53.43 C ATOM 1238 OE1 GLU A 168 10.118 30.152 11.137 1.00 71.68 O ATOM 1239 OE2 GLU A 168 7.892 30.182 10.927 1.00 49.48 O ATOM 0 H GLU A 168 7.134 26.168 11.535 1.00 16.71 H new ATOM 0 HA GLU A 168 6.735 28.147 9.997 1.00 18.69 H new ATOM 0 HB2 GLU A 168 8.941 27.137 10.944 1.00 22.90 H new ATOM 0 HB3 GLU A 168 9.085 26.610 9.483 1.00 22.90 H new ATOM 0 HG2 GLU A 168 10.242 28.512 9.471 1.00 39.09 H new ATOM 0 HG3 GLU A 168 8.907 28.889 8.757 1.00 39.09 H new ATOM 1240 N TYR A 169 6.859 25.434 8.290 1.00 15.97 N ATOM 1241 CA TYR A 169 6.604 24.866 6.983 1.00 15.62 C ATOM 1242 C TYR A 169 5.127 24.926 6.609 1.00 17.54 C ATOM 1243 O TYR A 169 4.824 25.256 5.484 1.00 17.71 O ATOM 1244 CB TYR A 169 7.164 23.468 6.914 1.00 15.34 C ATOM 1245 CG TYR A 169 8.682 23.382 7.072 1.00 15.51 C ATOM 1246 CD1 TYR A 169 9.551 24.048 6.184 1.00 15.48 C ATOM 1247 CD2 TYR A 169 9.237 22.638 8.121 1.00 15.63 C ATOM 1248 CE1 TYR A 169 10.928 23.936 6.308 1.00 15.74 C ATOM 1249 CE2 TYR A 169 10.605 22.517 8.267 1.00 15.38 C ATOM 1250 CZ TYR A 169 11.448 23.169 7.362 1.00 17.56 C ATOM 1251 OH TYR A 169 12.806 23.000 7.500 1.00 17.37 O ATOM 0 H TYR A 169 7.037 24.863 8.908 1.00 15.97 H new ATOM 0 HA TYR A 169 7.061 25.404 6.318 1.00 15.62 H new ATOM 0 HB2 TYR A 169 6.748 22.931 7.606 1.00 15.34 H new ATOM 0 HB3 TYR A 169 6.916 23.075 6.063 1.00 15.34 H new ATOM 0 HD1 TYR A 169 9.195 24.572 5.503 1.00 15.48 H new ATOM 0 HD2 TYR A 169 8.674 22.218 8.730 1.00 15.63 H new ATOM 0 HE1 TYR A 169 11.495 24.360 5.705 1.00 15.74 H new ATOM 0 HE2 TYR A 169 10.961 22.008 8.959 1.00 15.38 H new ATOM 0 HH TYR A 169 12.970 22.646 8.244 1.00 17.37 H new ATOM 1252 N SER A 170 4.209 24.612 7.536 1.00 15.31 N ATOM 1253 CA SER A 170 2.842 24.646 7.189 1.00 15.58 C ATOM 1254 C SER A 170 2.453 26.086 6.901 1.00 16.35 C ATOM 1255 O SER A 170 1.579 26.325 6.046 1.00 16.27 O ATOM 1256 CB SER A 170 1.980 24.025 8.276 1.00 14.48 C ATOM 1257 OG SER A 170 1.797 24.888 9.443 1.00 16.59 O ATOM 0 H SER A 170 4.381 24.385 8.347 1.00 15.31 H new ATOM 0 HA SER A 170 2.691 24.114 6.392 1.00 15.58 H new ATOM 0 HB2 SER A 170 1.111 23.808 7.904 1.00 14.48 H new ATOM 0 HB3 SER A 170 2.383 23.190 8.561 1.00 14.48 H new ATOM 0 HG SER A 170 1.227 25.480 9.268 1.00 16.59 H new ATOM 1258 N ARG A 171 3.061 27.056 7.623 1.00 16.65 N ATOM 1259 CA ARG A 171 2.646 28.454 7.425 1.00 15.81 C ATOM 1260 C ARG A 171 2.989 28.959 5.999 1.00 16.03 C ATOM 1261 O ARG A 171 2.337 29.914 5.477 1.00 17.12 O ATOM 1262 CB ARG A 171 3.325 29.379 8.475 1.00 17.28 C ATOM 1263 CG ARG A 171 2.625 29.289 9.838 1.00 17.68 C ATOM 1264 CD ARG A 171 3.327 30.271 10.844 1.00 17.28 C ATOM 1265 NE ARG A 171 2.705 29.990 12.104 1.00 23.32 N ATOM 1266 CZ ARG A 171 3.279 29.293 13.074 1.00 23.46 C ATOM 1267 NH1 ARG A 171 4.521 28.793 12.902 1.00 25.69 N ATOM 1268 NH2 ARG A 171 2.575 29.094 14.189 1.00 26.73 N ATOM 0 H ARG A 171 3.684 26.930 8.202 1.00 16.65 H new ATOM 0 HA ARG A 171 1.683 28.484 7.537 1.00 15.81 H new ATOM 0 HB2 ARG A 171 4.258 29.131 8.572 1.00 17.28 H new ATOM 0 HB3 ARG A 171 3.307 30.296 8.160 1.00 17.28 H new ATOM 0 HG2 ARG A 171 1.687 29.517 9.748 1.00 17.68 H new ATOM 0 HG3 ARG A 171 2.665 28.380 10.175 1.00 17.68 H new ATOM 0 HD2 ARG A 171 4.284 30.117 10.879 1.00 17.28 H new ATOM 0 HD3 ARG A 171 3.198 31.197 10.584 1.00 17.28 H new ATOM 0 HE ARG A 171 1.911 30.292 12.239 1.00 23.32 H new ATOM 0 HH11 ARG A 171 4.940 28.927 12.163 1.00 25.69 H new ATOM 0 HH12 ARG A 171 4.893 28.341 13.532 1.00 25.69 H new ATOM 0 HH21 ARG A 171 1.780 29.414 14.258 1.00 26.73 H new ATOM 0 HH22 ARG A 171 2.916 28.646 14.839 1.00 26.73 H new ATOM 1269 N PHE A 172 4.055 28.415 5.424 1.00 15.07 N ATOM 1270 CA PHE A 172 4.471 28.731 4.080 1.00 15.64 C ATOM 1271 C PHE A 172 3.366 28.332 3.073 1.00 15.66 C ATOM 1272 O PHE A 172 2.998 29.159 2.181 1.00 16.30 O ATOM 1273 CB PHE A 172 5.797 28.015 3.760 1.00 15.98 C ATOM 1274 CG PHE A 172 6.014 27.856 2.266 1.00 16.39 C ATOM 1275 CD1 PHE A 172 6.422 28.957 1.496 1.00 19.04 C ATOM 1276 CD2 PHE A 172 5.772 26.627 1.662 1.00 18.06 C ATOM 1277 CE1 PHE A 172 6.556 28.847 0.079 1.00 21.70 C ATOM 1278 CE2 PHE A 172 5.902 26.501 0.282 1.00 18.78 C ATOM 1279 CZ PHE A 172 6.298 27.601 -0.500 1.00 19.12 C ATOM 0 H PHE A 172 4.561 27.842 5.817 1.00 15.07 H new ATOM 0 HA PHE A 172 4.615 29.687 4.005 1.00 15.64 H new ATOM 0 HB2 PHE A 172 6.534 28.517 4.141 1.00 15.98 H new ATOM 0 HB3 PHE A 172 5.801 27.141 4.181 1.00 15.98 H new ATOM 0 HD1 PHE A 172 6.607 29.767 1.914 1.00 19.04 H new ATOM 0 HD2 PHE A 172 5.525 25.893 2.177 1.00 18.06 H new ATOM 0 HE1 PHE A 172 6.806 29.577 -0.440 1.00 21.70 H new ATOM 0 HE2 PHE A 172 5.726 25.684 -0.126 1.00 18.78 H new ATOM 0 HZ PHE A 172 6.390 27.497 -1.420 1.00 19.12 H new ATOM 1280 N PHE A 173 2.824 27.084 3.207 1.00 15.33 N ATOM 1281 CA PHE A 173 1.763 26.633 2.277 1.00 15.54 C ATOM 1282 C PHE A 173 0.525 27.512 2.498 1.00 15.61 C ATOM 1283 O PHE A 173 -0.107 27.920 1.542 1.00 19.17 O ATOM 1284 CB PHE A 173 1.414 25.125 2.424 1.00 14.07 C ATOM 1285 CG PHE A 173 2.486 24.205 1.947 1.00 16.18 C ATOM 1286 CD1 PHE A 173 3.476 23.750 2.824 1.00 15.66 C ATOM 1287 CD2 PHE A 173 2.501 23.771 0.596 1.00 16.78 C ATOM 1288 CE1 PHE A 173 4.489 22.921 2.370 1.00 16.51 C ATOM 1289 CE2 PHE A 173 3.525 22.942 0.131 1.00 15.45 C ATOM 1290 CZ PHE A 173 4.522 22.534 1.025 1.00 17.65 C ATOM 0 H PHE A 173 3.052 26.512 3.807 1.00 15.33 H new ATOM 0 HA PHE A 173 2.093 26.730 1.370 1.00 15.54 H new ATOM 0 HB2 PHE A 173 1.229 24.935 3.357 1.00 14.07 H new ATOM 0 HB3 PHE A 173 0.600 24.941 1.930 1.00 14.07 H new ATOM 0 HD1 PHE A 173 3.454 24.006 3.718 1.00 15.66 H new ATOM 0 HD2 PHE A 173 1.825 24.040 0.017 1.00 16.78 H new ATOM 0 HE1 PHE A 173 5.145 22.622 2.957 1.00 16.51 H new ATOM 0 HE2 PHE A 173 3.544 22.666 -0.757 1.00 15.45 H new ATOM 0 HZ PHE A 173 5.218 21.997 0.720 1.00 17.65 H new ATOM 1291 N LYS A 174 0.193 27.789 3.749 1.00 15.07 N ATOM 1292 CA LYS A 174 -0.975 28.602 4.135 1.00 15.93 C ATOM 1293 C LYS A 174 -0.862 30.059 3.690 1.00 16.09 C ATOM 1294 O LYS A 174 -1.852 30.588 3.242 1.00 17.41 O ATOM 1295 CB LYS A 174 -1.229 28.568 5.666 1.00 17.34 C ATOM 1296 CG LYS A 174 -2.663 28.953 6.076 1.00 19.93 C ATOM 1297 CD LYS A 174 -3.637 27.964 5.456 1.00 20.11 C ATOM 1298 CE LYS A 174 -4.979 27.996 6.168 1.00 22.95 C ATOM 1299 NZ LYS A 174 -5.949 27.028 5.537 1.00 19.66 N ATOM 0 H LYS A 174 0.647 27.506 4.423 1.00 15.07 H new ATOM 0 HA LYS A 174 -1.725 28.196 3.673 1.00 15.93 H new ATOM 0 HB2 LYS A 174 -1.037 27.676 5.996 1.00 17.34 H new ATOM 0 HB3 LYS A 174 -0.606 29.171 6.101 1.00 17.34 H new ATOM 0 HG2 LYS A 174 -2.748 28.947 7.042 1.00 19.93 H new ATOM 0 HG3 LYS A 174 -2.866 29.854 5.779 1.00 19.93 H new ATOM 0 HD2 LYS A 174 -3.761 28.173 4.517 1.00 20.11 H new ATOM 0 HD3 LYS A 174 -3.266 27.069 5.500 1.00 20.11 H new ATOM 0 HE2 LYS A 174 -4.858 27.773 7.104 1.00 22.95 H new ATOM 0 HE3 LYS A 174 -5.345 28.894 6.135 1.00 22.95 H new ATOM 0 HZ1 LYS A 174 -6.594 26.832 6.118 1.00 19.66 H new ATOM 0 HZ2 LYS A 174 -6.307 27.397 4.811 1.00 19.66 H new ATOM 0 HZ3 LYS A 174 -5.519 26.283 5.309 1.00 19.66 H new ATOM 1300 N ARG A 175 0.326 30.638 3.695 1.00 17.72 N ATOM 1301 CA ARG A 175 0.510 32.000 3.248 1.00 21.16 C ATOM 1302 C ARG A 175 0.195 32.088 1.742 1.00 21.97 C ATOM 1303 O ARG A 175 -0.473 33.012 1.305 1.00 20.60 O ATOM 1304 CB ARG A 175 1.946 32.425 3.510 1.00 25.17 C ATOM 1305 CG ARG A 175 2.238 33.872 3.198 1.00 30.50 C ATOM 1306 CD ARG A 175 3.576 34.260 3.860 1.00 36.89 C ATOM 1307 NE ARG A 175 4.756 33.430 3.506 1.00 41.15 N ATOM 1308 CZ ARG A 175 5.415 33.503 2.334 1.00 41.58 C ATOM 1309 NH1 ARG A 175 4.996 34.337 1.371 1.00 36.71 N ATOM 1310 NH2 ARG A 175 6.486 32.728 2.098 1.00 38.25 N ATOM 0 H ARG A 175 1.047 30.251 3.958 1.00 17.72 H new ATOM 0 HA ARG A 175 -0.088 32.591 3.732 1.00 21.16 H new ATOM 0 HB2 ARG A 175 2.155 32.259 4.442 1.00 25.17 H new ATOM 0 HB3 ARG A 175 2.538 31.866 2.982 1.00 25.17 H new ATOM 0 HG2 ARG A 175 2.286 34.006 2.239 1.00 30.50 H new ATOM 0 HG3 ARG A 175 1.523 34.438 3.528 1.00 30.50 H new ATOM 0 HD2 ARG A 175 3.773 35.181 3.629 1.00 36.89 H new ATOM 0 HD3 ARG A 175 3.459 34.227 4.822 1.00 36.89 H new ATOM 0 HE ARG A 175 5.037 32.864 4.089 1.00 41.15 H new ATOM 0 HH11 ARG A 175 4.303 34.829 1.500 1.00 36.71 H new ATOM 0 HH12 ARG A 175 5.421 34.380 0.624 1.00 36.71 H new ATOM 0 HH21 ARG A 175 6.759 32.177 2.699 1.00 38.25 H new ATOM 0 HH22 ARG A 175 6.899 32.783 1.346 1.00 38.25 H new ATOM 1311 N LEU A 176 0.704 31.152 0.957 1.00 18.33 N ATOM 1312 CA LEU A 176 0.526 31.189 -0.499 1.00 20.73 C ATOM 1313 C LEU A 176 -0.853 30.634 -0.900 1.00 21.72 C ATOM 1314 O LEU A 176 -1.389 31.073 -1.958 1.00 22.00 O ATOM 1315 CB LEU A 176 1.645 30.425 -1.232 1.00 22.97 C ATOM 1316 CG LEU A 176 3.147 30.813 -1.142 1.00 27.31 C ATOM 1317 CD1 LEU A 176 3.841 30.641 -2.477 1.00 31.44 C ATOM 1318 CD2 LEU A 176 3.282 32.235 -0.792 1.00 27.86 C ATOM 0 H LEU A 176 1.159 30.481 1.243 1.00 18.33 H new ATOM 0 HA LEU A 176 0.577 32.119 -0.769 1.00 20.73 H new ATOM 0 HB2 LEU A 176 1.583 29.502 -0.940 1.00 22.97 H new ATOM 0 HB3 LEU A 176 1.415 30.440 -2.174 1.00 22.97 H new ATOM 0 HG LEU A 176 3.545 30.236 -0.472 1.00 27.31 H new ATOM 0 HD11 LEU A 176 4.775 30.890 -2.391 1.00 31.44 H new ATOM 0 HD12 LEU A 176 3.778 29.715 -2.758 1.00 31.44 H new ATOM 0 HD13 LEU A 176 3.415 31.208 -3.139 1.00 31.44 H new ATOM 0 HD21 LEU A 176 4.222 32.467 -0.738 1.00 27.86 H new ATOM 0 HD22 LEU A 176 2.854 32.778 -1.472 1.00 27.86 H new ATOM 0 HD23 LEU A 176 2.859 32.399 0.066 1.00 27.86 H new ATOM 1319 N CYS A 177 -1.399 29.652 -0.147 1.00 19.34 N ATOM 1320 CA CYS A 177 -2.723 29.073 -0.447 1.00 19.56 C ATOM 1321 C CYS A 177 -3.618 28.977 0.768 1.00 20.02 C ATOM 1322 O CYS A 177 -3.747 27.884 1.358 1.00 19.94 O ATOM 1323 CB CYS A 177 -2.595 27.701 -1.154 1.00 18.93 C ATOM 1324 SG CYS A 177 -2.114 27.962 -2.888 1.00 20.09 S ATOM 0 H CYS A 177 -1.014 29.310 0.542 1.00 19.34 H new ATOM 0 HA CYS A 177 -3.154 29.691 -1.058 1.00 19.56 H new ATOM 0 HB2 CYS A 177 -1.934 27.153 -0.703 1.00 18.93 H new ATOM 0 HB3 CYS A 177 -3.438 27.223 -1.110 1.00 18.93 H new ATOM 1325 N PRO A 178 -4.258 30.098 1.147 1.00 20.15 N ATOM 1326 CA PRO A 178 -5.077 30.130 2.375 1.00 22.90 C ATOM 1327 C PRO A 178 -6.297 29.187 2.304 1.00 20.82 C ATOM 1328 O PRO A 178 -6.733 28.671 3.325 1.00 20.39 O ATOM 1329 CB PRO A 178 -5.555 31.585 2.469 1.00 23.09 C ATOM 1330 CG PRO A 178 -5.004 32.301 1.295 1.00 22.52 C ATOM 1331 CD PRO A 178 -4.207 31.397 0.432 1.00 21.71 C ATOM 0 HA PRO A 178 -4.563 29.833 3.142 1.00 22.90 H new ATOM 0 HB2 PRO A 178 -6.524 31.628 2.473 1.00 23.09 H new ATOM 0 HB3 PRO A 178 -5.250 31.994 3.294 1.00 23.09 H new ATOM 0 HG2 PRO A 178 -5.730 32.686 0.779 1.00 22.52 H new ATOM 0 HG3 PRO A 178 -4.448 33.037 1.595 1.00 22.52 H new ATOM 0 HD2 PRO A 178 -4.585 31.329 -0.459 1.00 21.71 H new ATOM 0 HD3 PRO A 178 -3.295 31.713 0.330 1.00 21.71 H new ATOM 1332 N ASP A 179 -6.813 28.946 1.093 1.00 21.07 N ATOM 1333 CA ASP A 179 -7.959 28.054 0.947 1.00 23.93 C ATOM 1334 C ASP A 179 -7.666 26.559 0.873 1.00 21.65 C ATOM 1335 O ASP A 179 -8.583 25.793 0.718 1.00 24.63 O ATOM 1336 CB ASP A 179 -8.815 28.501 -0.241 1.00 30.86 C ATOM 1337 CG ASP A 179 -9.505 29.835 0.041 1.00 37.08 C ATOM 1338 OD1 ASP A 179 -9.880 30.130 1.227 1.00 43.60 O ATOM 1339 OD2 ASP A 179 -9.596 30.643 -0.877 1.00 43.14 O ATOM 0 H ASP A 179 -6.518 29.284 0.359 1.00 21.07 H new ATOM 0 HA ASP A 179 -8.442 28.143 1.784 1.00 23.93 H new ATOM 0 HB2 ASP A 179 -8.258 28.584 -1.031 1.00 30.86 H new ATOM 0 HB3 ASP A 179 -9.482 27.824 -0.434 1.00 30.86 H new ATOM 1340 N ALA A 180 -6.410 26.142 0.996 1.00 18.61 N ATOM 1341 CA ALA A 180 -6.059 24.704 1.020 1.00 16.10 C ATOM 1342 C ALA A 180 -5.624 24.301 2.426 1.00 16.59 C ATOM 1343 O ALA A 180 -5.061 25.110 3.156 1.00 17.15 O ATOM 1344 CB ALA A 180 -4.919 24.439 0.019 1.00 14.52 C ATOM 0 H ALA A 180 -5.736 26.671 1.068 1.00 18.61 H new ATOM 0 HA ALA A 180 -6.834 24.178 0.769 1.00 16.10 H new ATOM 0 HB1 ALA A 180 -4.688 23.497 0.034 1.00 14.52 H new ATOM 0 HB2 ALA A 180 -5.207 24.687 -0.873 1.00 14.52 H new ATOM 0 HB3 ALA A 180 -4.143 24.966 0.265 1.00 14.52 H new ATOM 1345 N PHE A 181 -5.878 23.076 2.829 1.00 15.92 N ATOM 1346 CA PHE A 181 -5.340 22.570 4.101 1.00 17.30 C ATOM 1347 C PHE A 181 -3.800 22.581 4.120 1.00 17.62 C ATOM 1348 O PHE A 181 -3.174 22.067 3.195 1.00 19.23 O ATOM 1349 CB PHE A 181 -5.761 21.143 4.312 1.00 18.64 C ATOM 1350 CG PHE A 181 -7.152 21.005 4.835 1.00 21.72 C ATOM 1351 CD1 PHE A 181 -8.240 20.960 3.929 1.00 24.59 C ATOM 1352 CD2 PHE A 181 -7.372 20.769 6.212 1.00 23.18 C ATOM 1353 CE1 PHE A 181 -9.549 20.770 4.415 1.00 26.27 C ATOM 1354 CE2 PHE A 181 -8.683 20.585 6.697 1.00 21.62 C ATOM 1355 CZ PHE A 181 -9.749 20.581 5.797 1.00 23.53 C ATOM 0 H PHE A 181 -6.357 22.512 2.391 1.00 15.92 H new ATOM 0 HA PHE A 181 -5.685 23.153 4.795 1.00 17.30 H new ATOM 0 HB2 PHE A 181 -5.690 20.664 3.471 1.00 18.64 H new ATOM 0 HB3 PHE A 181 -5.146 20.720 4.932 1.00 18.64 H new ATOM 0 HD1 PHE A 181 -8.091 21.056 3.016 1.00 24.59 H new ATOM 0 HD2 PHE A 181 -6.651 20.735 6.798 1.00 23.18 H new ATOM 0 HE1 PHE A 181 -10.272 20.769 3.831 1.00 26.27 H new ATOM 0 HE2 PHE A 181 -8.835 20.468 7.607 1.00 21.62 H new ATOM 0 HZ PHE A 181 -10.612 20.450 6.117 1.00 23.53 H new ATOM 1356 N SER A 182 -3.204 23.135 5.167 1.00 16.34 N ATOM 1357 CA SER A 182 -1.721 23.214 5.169 1.00 16.27 C ATOM 1358 C SER A 182 -1.108 22.177 6.131 1.00 17.71 C ATOM 1359 O SER A 182 0.113 21.908 6.090 1.00 15.43 O ATOM 1360 CB SER A 182 -1.282 24.646 5.436 1.00 15.53 C ATOM 1361 OG SER A 182 -1.680 25.004 6.786 1.00 16.22 O ATOM 0 H SER A 182 -3.601 23.459 5.858 1.00 16.34 H new ATOM 0 HA SER A 182 -1.378 22.978 4.293 1.00 16.27 H new ATOM 0 HB2 SER A 182 -0.321 24.729 5.334 1.00 15.53 H new ATOM 0 HB3 SER A 182 -1.688 25.249 4.794 1.00 15.53 H new ATOM 0 HG SER A 182 -2.517 24.967 6.851 1.00 16.22 H new ATOM 1362 N TYR A 183 -1.907 21.668 7.081 1.00 16.37 N ATOM 1363 CA TYR A 183 -1.428 20.618 7.981 1.00 18.56 C ATOM 1364 C TYR A 183 -2.665 19.888 8.477 1.00 20.64 C ATOM 1365 O TYR A 183 -3.809 20.350 8.240 1.00 19.22 O ATOM 1366 CB TYR A 183 -0.508 21.132 9.143 1.00 17.19 C ATOM 1367 CG TYR A 183 -1.219 21.959 10.199 1.00 19.36 C ATOM 1368 CD1 TYR A 183 -1.680 23.288 9.919 1.00 18.79 C ATOM 1369 CD2 TYR A 183 -1.426 21.432 11.500 1.00 19.41 C ATOM 1370 CE1 TYR A 183 -2.349 24.053 10.892 1.00 20.40 C ATOM 1371 CE2 TYR A 183 -2.031 22.222 12.503 1.00 19.53 C ATOM 1372 CZ TYR A 183 -2.516 23.504 12.169 1.00 24.45 C ATOM 1373 OH TYR A 183 -3.144 24.251 13.120 1.00 24.10 O ATOM 0 H TYR A 183 -2.719 21.916 7.216 1.00 16.37 H new ATOM 0 HA TYR A 183 -0.838 20.017 7.500 1.00 18.56 H new ATOM 0 HB2 TYR A 183 -0.094 20.367 9.573 1.00 17.19 H new ATOM 0 HB3 TYR A 183 0.207 21.664 8.761 1.00 17.19 H new ATOM 0 HD1 TYR A 183 -1.533 23.652 9.076 1.00 18.79 H new ATOM 0 HD2 TYR A 183 -1.162 20.562 11.694 1.00 19.41 H new ATOM 0 HE1 TYR A 183 -2.672 24.902 10.692 1.00 20.40 H new ATOM 0 HE2 TYR A 183 -2.109 21.901 13.372 1.00 19.53 H new ATOM 0 HH TYR A 183 -3.184 23.816 13.837 1.00 24.10 H new ATOM 1374 N VAL A 184 -2.453 18.749 9.144 1.00 24.66 N ATOM 1375 CA VAL A 184 -3.573 17.816 9.437 1.00 24.07 C ATOM 1376 C VAL A 184 -4.638 18.556 10.284 1.00 22.32 C ATOM 1377 O VAL A 184 -5.821 18.436 10.026 1.00 24.14 O ATOM 1378 CB VAL A 184 -3.037 16.506 10.108 1.00 24.27 C ATOM 1379 CG1 VAL A 184 -4.173 15.585 10.603 1.00 25.13 C ATOM 1380 CG2 VAL A 184 -2.060 15.762 9.209 1.00 26.85 C ATOM 0 H VAL A 184 -1.685 18.493 9.435 1.00 24.66 H new ATOM 0 HA VAL A 184 -4.004 17.532 8.616 1.00 24.07 H new ATOM 0 HB VAL A 184 -2.545 16.787 10.896 1.00 24.27 H new ATOM 0 HG11 VAL A 184 -3.792 14.791 11.009 1.00 25.13 H new ATOM 0 HG12 VAL A 184 -4.710 16.057 11.259 1.00 25.13 H new ATOM 0 HG13 VAL A 184 -4.732 15.328 9.853 1.00 25.13 H new ATOM 0 HG21 VAL A 184 -1.752 14.960 9.659 1.00 26.85 H new ATOM 0 HG22 VAL A 184 -2.503 15.518 8.381 1.00 26.85 H new ATOM 0 HG23 VAL A 184 -1.301 16.333 9.013 1.00 26.85 H new ATOM 1381 N LEU A 185 -4.266 19.417 11.218 1.00 21.95 N ATOM 1382 CA LEU A 185 -5.306 20.025 12.065 1.00 23.86 C ATOM 1383 C LEU A 185 -5.626 21.450 11.724 1.00 23.70 C ATOM 1384 O LEU A 185 -6.087 22.205 12.584 1.00 22.61 O ATOM 1385 CB LEU A 185 -4.948 19.867 13.578 1.00 26.75 C ATOM 1386 CG LEU A 185 -4.811 18.470 14.198 1.00 29.61 C ATOM 1387 CD1 LEU A 185 -4.595 18.628 15.703 1.00 26.94 C ATOM 1388 CD2 LEU A 185 -5.954 17.474 13.922 1.00 36.41 C ATOM 0 H LEU A 185 -3.458 19.661 11.381 1.00 21.95 H new ATOM 0 HA LEU A 185 -6.121 19.533 11.878 1.00 23.86 H new ATOM 0 HB2 LEU A 185 -4.108 20.330 13.725 1.00 26.75 H new ATOM 0 HB3 LEU A 185 -5.626 20.341 14.085 1.00 26.75 H new ATOM 0 HG LEU A 185 -4.049 18.064 13.755 1.00 29.61 H new ATOM 0 HD11 LEU A 185 -4.506 17.752 16.111 1.00 26.94 H new ATOM 0 HD12 LEU A 185 -3.788 19.142 15.862 1.00 26.94 H new ATOM 0 HD13 LEU A 185 -5.354 19.090 16.092 1.00 26.94 H new ATOM 0 HD21 LEU A 185 -5.761 16.630 14.360 1.00 36.41 H new ATOM 0 HD22 LEU A 185 -6.787 17.833 14.266 1.00 36.41 H new ATOM 0 HD23 LEU A 185 -6.035 17.330 12.966 1.00 36.41 H new ATOM 1389 N ASP A 186 -5.323 21.885 10.485 1.00 19.79 N ATOM 1390 CA ASP A 186 -5.622 23.203 10.043 1.00 19.24 C ATOM 1391 C ASP A 186 -7.121 23.558 10.208 1.00 24.45 C ATOM 1392 O ASP A 186 -7.963 22.682 10.121 1.00 26.35 O ATOM 1393 CB ASP A 186 -5.216 23.227 8.562 1.00 20.42 C ATOM 1394 CG ASP A 186 -4.841 24.603 8.072 1.00 21.21 C ATOM 1395 OD1 ASP A 186 -5.049 25.566 8.777 1.00 21.68 O ATOM 1396 OD2 ASP A 186 -4.312 24.740 6.969 1.00 21.10 O ATOM 0 H ASP A 186 -4.935 21.397 9.893 1.00 19.79 H new ATOM 0 HA ASP A 186 -5.146 23.862 10.572 1.00 19.24 H new ATOM 0 HB2 ASP A 186 -4.466 22.627 8.428 1.00 20.42 H new ATOM 0 HB3 ASP A 186 -5.950 22.888 8.026 1.00 20.42 H new ATOM 1397 N LYS A 187 -7.480 24.815 10.459 1.00 26.61 N ATOM 1398 CA LYS A 187 -8.918 25.188 10.474 1.00 32.91 C ATOM 1399 C LYS A 187 -9.503 24.724 9.119 1.00 32.32 C ATOM 1400 O LYS A 187 -8.952 25.075 8.047 1.00 30.27 O ATOM 1401 CB LYS A 187 -9.111 26.711 10.677 1.00 41.49 C ATOM 1402 CG LYS A 187 -10.588 27.178 10.691 1.00 57.71 C ATOM 1403 CD LYS A 187 -10.948 28.173 11.828 1.00 70.79 C ATOM 1404 CE LYS A 187 -10.525 29.639 11.613 1.00 69.72 C ATOM 1405 NZ LYS A 187 -11.301 30.323 10.529 1.00 62.71 N ATOM 0 H LYS A 187 -6.933 25.459 10.620 1.00 26.61 H new ATOM 0 HA LYS A 187 -9.375 24.763 11.216 1.00 32.91 H new ATOM 0 HB2 LYS A 187 -8.695 26.969 11.514 1.00 41.49 H new ATOM 0 HB3 LYS A 187 -8.642 27.182 9.970 1.00 41.49 H new ATOM 0 HG2 LYS A 187 -10.790 27.594 9.839 1.00 57.71 H new ATOM 0 HG3 LYS A 187 -11.160 26.398 10.768 1.00 57.71 H new ATOM 0 HD2 LYS A 187 -11.909 28.150 11.960 1.00 70.79 H new ATOM 0 HD3 LYS A 187 -10.541 27.856 12.650 1.00 70.79 H new ATOM 0 HE2 LYS A 187 -10.640 30.128 12.443 1.00 69.72 H new ATOM 0 HE3 LYS A 187 -9.580 29.668 11.395 1.00 69.72 H new ATOM 0 HZ1 LYS A 187 -11.019 31.163 10.446 1.00 62.71 H new ATOM 0 HZ2 LYS A 187 -11.179 29.892 9.760 1.00 62.71 H new ATOM 0 HZ3 LYS A 187 -12.167 30.321 10.736 1.00 62.71 H new ATOM 1406 N PRO A 188 -10.552 23.878 9.150 1.00 34.41 N ATOM 1407 CA PRO A 188 -11.005 23.281 7.850 1.00 33.70 C ATOM 1408 C PRO A 188 -11.360 24.290 6.767 1.00 29.87 C ATOM 1409 O PRO A 188 -11.986 25.328 7.032 1.00 29.41 O ATOM 1410 CB PRO A 188 -12.239 22.427 8.219 1.00 34.17 C ATOM 1411 CG PRO A 188 -12.168 22.258 9.717 1.00 37.29 C ATOM 1412 CD PRO A 188 -11.354 23.402 10.304 1.00 36.42 C ATOM 0 HA PRO A 188 -10.277 22.774 7.457 1.00 33.70 H new ATOM 0 HB2 PRO A 188 -13.062 22.867 7.954 1.00 34.17 H new ATOM 0 HB3 PRO A 188 -12.219 21.568 7.768 1.00 34.17 H new ATOM 0 HG2 PRO A 188 -13.061 22.252 10.097 1.00 37.29 H new ATOM 0 HG3 PRO A 188 -11.759 21.407 9.940 1.00 37.29 H new ATOM 0 HD2 PRO A 188 -11.924 24.103 10.657 1.00 36.42 H new ATOM 0 HD3 PRO A 188 -10.789 23.102 11.033 1.00 36.42 H new ATOM 1413 N THR A 189 -10.951 24.012 5.540 1.00 27.88 N ATOM 1414 CA THR A 189 -11.355 24.893 4.408 1.00 29.72 C ATOM 1415 C THR A 189 -12.306 24.117 3.474 1.00 30.04 C ATOM 1416 O THR A 189 -12.438 24.417 2.268 1.00 29.64 O ATOM 1417 CB THR A 189 -10.123 25.349 3.666 1.00 30.37 C ATOM 1418 OG1 THR A 189 -9.325 24.196 3.374 1.00 31.85 O ATOM 1419 CG2 THR A 189 -9.316 26.298 4.554 1.00 33.30 C ATOM 0 H THR A 189 -10.454 23.344 5.326 1.00 27.88 H new ATOM 0 HA THR A 189 -11.821 25.676 4.742 1.00 29.72 H new ATOM 0 HB THR A 189 -10.375 25.807 2.849 1.00 30.37 H new ATOM 0 HG1 THR A 189 -8.835 24.355 2.711 1.00 31.85 H new ATOM 0 HG21 THR A 189 -8.524 26.592 4.078 1.00 33.30 H new ATOM 0 HG22 THR A 189 -9.859 27.068 4.783 1.00 33.30 H new ATOM 0 HG23 THR A 189 -9.052 25.837 5.365 1.00 33.30 H new ATOM 1420 N THR A 190 -12.944 23.093 4.056 1.00 27.60 N ATOM 1421 CA THR A 190 -13.941 22.304 3.361 1.00 26.06 C ATOM 1422 C THR A 190 -15.095 23.196 2.948 1.00 27.83 C ATOM 1423 O THR A 190 -15.507 24.075 3.674 1.00 30.48 O ATOM 1424 CB THR A 190 -14.365 21.170 4.291 1.00 30.72 C ATOM 1425 OG1 THR A 190 -13.162 20.478 4.655 1.00 31.84 O ATOM 1426 CG2 THR A 190 -15.339 20.189 3.626 1.00 27.13 C ATOM 0 H THR A 190 -12.803 22.844 4.867 1.00 27.60 H new ATOM 0 HA THR A 190 -13.590 21.914 2.545 1.00 26.06 H new ATOM 0 HB THR A 190 -14.832 21.538 5.057 1.00 30.72 H new ATOM 0 HG1 THR A 190 -13.349 19.842 5.171 1.00 31.84 H new ATOM 0 HG21 THR A 190 -15.576 19.491 4.256 1.00 27.13 H new ATOM 0 HG22 THR A 190 -16.140 20.663 3.353 1.00 27.13 H new ATOM 0 HG23 THR A 190 -14.918 19.792 2.848 1.00 27.13 H new ATOM 1427 N VAL A 191 -15.590 22.951 1.760 1.00 23.81 N ATOM 1428 CA VAL A 191 -16.798 23.561 1.218 1.00 28.07 C ATOM 1429 C VAL A 191 -17.884 22.473 1.155 1.00 25.80 C ATOM 1430 O VAL A 191 -17.629 21.335 0.709 1.00 25.29 O ATOM 1431 CB VAL A 191 -16.510 24.088 -0.205 1.00 24.16 C ATOM 1432 CG1 VAL A 191 -17.810 24.525 -0.866 1.00 27.88 C ATOM 1433 CG2 VAL A 191 -15.496 25.216 -0.121 1.00 25.97 C ATOM 0 H VAL A 191 -15.220 22.399 1.214 1.00 23.81 H new ATOM 0 HA VAL A 191 -17.089 24.300 1.774 1.00 28.07 H new ATOM 0 HB VAL A 191 -16.130 23.387 -0.757 1.00 24.16 H new ATOM 0 HG11 VAL A 191 -17.624 24.855 -1.759 1.00 27.88 H new ATOM 0 HG12 VAL A 191 -18.416 23.769 -0.921 1.00 27.88 H new ATOM 0 HG13 VAL A 191 -18.220 25.230 -0.340 1.00 27.88 H new ATOM 0 HG21 VAL A 191 -15.311 25.552 -1.012 1.00 25.97 H new ATOM 0 HG22 VAL A 191 -15.854 25.933 0.426 1.00 25.97 H new ATOM 0 HG23 VAL A 191 -14.675 24.885 0.277 1.00 25.97 H new ATOM 1434 N THR A 192 -19.083 22.826 1.630 1.00 26.47 N ATOM 1435 CA THR A 192 -20.236 21.932 1.624 1.00 25.21 C ATOM 1436 C THR A 192 -21.051 22.270 0.409 1.00 26.53 C ATOM 1437 O THR A 192 -21.404 23.425 0.199 1.00 27.24 O ATOM 1438 CB THR A 192 -21.122 22.165 2.873 1.00 31.68 C ATOM 1439 OG1 THR A 192 -20.299 22.054 4.040 1.00 32.43 O ATOM 1440 CG2 THR A 192 -22.239 21.099 2.934 1.00 30.67 C ATOM 0 H THR A 192 -19.247 23.600 1.967 1.00 26.47 H new ATOM 0 HA THR A 192 -19.933 21.010 1.623 1.00 25.21 H new ATOM 0 HB THR A 192 -21.528 23.045 2.827 1.00 31.68 H new ATOM 0 HG1 THR A 192 -20.017 21.266 4.110 1.00 32.43 H new ATOM 0 HG21 THR A 192 -22.789 21.251 3.718 1.00 30.67 H new ATOM 0 HG22 THR A 192 -22.789 21.160 2.137 1.00 30.67 H new ATOM 0 HG23 THR A 192 -21.841 20.216 2.985 1.00 30.67 H new ATOM 1441 N CYS A 193 -21.343 21.276 -0.403 1.00 26.99 N ATOM 1442 CA CYS A 193 -22.174 21.512 -1.562 1.00 27.82 C ATOM 1443 C CYS A 193 -23.415 20.621 -1.475 1.00 28.51 C ATOM 1444 O CYS A 193 -23.418 19.639 -0.741 1.00 28.86 O ATOM 1445 CB CYS A 193 -21.452 21.085 -2.834 1.00 25.04 C ATOM 1446 SG CYS A 193 -20.058 22.097 -3.231 1.00 28.46 S ATOM 0 H CYS A 193 -21.074 20.465 -0.304 1.00 26.99 H new ATOM 0 HA CYS A 193 -22.393 22.457 -1.584 1.00 27.82 H new ATOM 0 HB2 CYS A 193 -21.158 20.166 -2.737 1.00 25.04 H new ATOM 0 HB3 CYS A 193 -22.078 21.105 -3.575 1.00 25.04 H new ATOM 1447 N PRO A 194 -24.430 20.916 -2.307 1.00 29.17 N ATOM 1448 CA PRO A 194 -25.589 19.998 -2.339 1.00 29.83 C ATOM 1449 C PRO A 194 -25.186 18.560 -2.732 1.00 30.11 C ATOM 1450 O PRO A 194 -24.312 18.375 -3.580 1.00 27.42 O ATOM 1451 CB PRO A 194 -26.500 20.634 -3.407 1.00 33.76 C ATOM 1452 CG PRO A 194 -26.118 22.101 -3.448 1.00 30.34 C ATOM 1453 CD PRO A 194 -24.674 22.217 -2.960 1.00 29.91 C ATOM 0 HA PRO A 194 -26.014 19.902 -1.472 1.00 29.83 H new ATOM 0 HB2 PRO A 194 -26.369 20.215 -4.272 1.00 33.76 H new ATOM 0 HB3 PRO A 194 -27.436 20.524 -3.178 1.00 33.76 H new ATOM 0 HG2 PRO A 194 -26.202 22.450 -4.349 1.00 30.34 H new ATOM 0 HG3 PRO A 194 -26.711 22.623 -2.885 1.00 30.34 H new ATOM 0 HD2 PRO A 194 -24.059 22.370 -3.695 1.00 29.91 H new ATOM 0 HD3 PRO A 194 -24.564 22.955 -2.340 1.00 29.91 H new ATOM 1454 N GLY A 195 -25.802 17.555 -2.108 1.00 27.55 N ATOM 1455 CA GLY A 195 -25.587 16.123 -2.483 1.00 26.47 C ATOM 1456 C GLY A 195 -25.766 15.944 -3.995 1.00 26.64 C ATOM 1457 O GLY A 195 -26.597 16.634 -4.599 1.00 26.67 O ATOM 0 H GLY A 195 -26.355 17.667 -1.459 1.00 27.55 H new ATOM 0 HA2 GLY A 195 -24.697 15.842 -2.220 1.00 26.47 H new ATOM 0 HA3 GLY A 195 -26.215 15.558 -2.006 1.00 26.47 H new ATOM 1458 N SER A 196 -24.983 15.040 -4.597 1.00 26.55 N ATOM 1459 CA SER A 196 -24.922 14.833 -6.083 1.00 25.39 C ATOM 1460 C SER A 196 -24.658 16.088 -6.912 1.00 31.56 C ATOM 1461 O SER A 196 -25.206 16.188 -8.045 1.00 33.71 O ATOM 1462 CB SER A 196 -26.166 14.156 -6.644 1.00 27.48 C ATOM 1463 OG SER A 196 -26.585 13.177 -5.766 1.00 30.09 O ATOM 0 H SER A 196 -24.460 14.516 -4.160 1.00 26.55 H new ATOM 0 HA SER A 196 -24.150 14.252 -6.171 1.00 25.39 H new ATOM 0 HB2 SER A 196 -26.871 14.809 -6.777 1.00 27.48 H new ATOM 0 HB3 SER A 196 -25.972 13.767 -7.511 1.00 27.48 H new ATOM 0 HG SER A 196 -27.272 12.802 -6.071 1.00 30.09 H new ATOM 1464 N SER A 197 -23.821 17.038 -6.421 1.00 27.01 N ATOM 1465 CA SER A 197 -23.300 18.092 -7.332 1.00 25.49 C ATOM 1466 C SER A 197 -22.360 17.492 -8.418 1.00 23.92 C ATOM 1467 O SER A 197 -21.975 16.311 -8.361 1.00 25.39 O ATOM 1468 CB SER A 197 -22.571 19.183 -6.565 1.00 25.18 C ATOM 1469 OG SER A 197 -23.420 19.839 -5.657 1.00 26.64 O ATOM 0 H SER A 197 -23.555 17.089 -5.605 1.00 27.01 H new ATOM 0 HA SER A 197 -24.069 18.487 -7.772 1.00 25.49 H new ATOM 0 HB2 SER A 197 -21.822 18.796 -6.086 1.00 25.18 H new ATOM 0 HB3 SER A 197 -22.205 19.828 -7.190 1.00 25.18 H new ATOM 0 HG SER A 197 -23.657 19.302 -5.056 1.00 26.64 H new ATOM 1470 N ASN A 198 -22.040 18.289 -9.440 1.00 23.42 N ATOM 1471 CA ASN A 198 -20.975 17.891 -10.394 1.00 22.00 C ATOM 1472 C ASN A 198 -19.872 18.917 -10.350 1.00 19.48 C ATOM 1473 O ASN A 198 -20.073 20.004 -9.857 1.00 22.35 O ATOM 1474 CB ASN A 198 -21.511 17.733 -11.813 1.00 23.94 C ATOM 1475 CG ASN A 198 -22.532 16.603 -11.934 1.00 28.71 C ATOM 1476 OD1 ASN A 198 -22.338 15.476 -11.453 1.00 24.58 O ATOM 1477 ND2 ASN A 198 -23.633 16.907 -12.610 1.00 33.85 N ATOM 0 H ASN A 198 -22.411 19.047 -9.604 1.00 23.42 H new ATOM 0 HA ASN A 198 -20.629 17.024 -10.129 1.00 22.00 H new ATOM 0 HB2 ASN A 198 -21.921 18.566 -12.095 1.00 23.94 H new ATOM 0 HB3 ASN A 198 -20.772 17.562 -12.417 1.00 23.94 H new ATOM 0 HD21 ASN A 198 -24.243 16.313 -12.728 1.00 33.85 H new ATOM 0 HD22 ASN A 198 -23.736 17.698 -12.930 1.00 33.85 H new ATOM 1478 N TYR A 199 -18.703 18.578 -10.863 1.00 19.53 N ATOM 1479 CA TYR A 199 -17.494 19.387 -10.525 1.00 17.57 C ATOM 1480 C TYR A 199 -16.571 19.386 -11.708 1.00 18.52 C ATOM 1481 O TYR A 199 -16.607 18.482 -12.555 1.00 20.05 O ATOM 1482 CB TYR A 199 -16.734 18.717 -9.364 1.00 19.25 C ATOM 1483 CG TYR A 199 -17.543 18.612 -8.093 1.00 16.08 C ATOM 1484 CD1 TYR A 199 -17.717 19.756 -7.258 1.00 16.25 C ATOM 1485 CD2 TYR A 199 -18.232 17.397 -7.788 1.00 17.21 C ATOM 1486 CE1 TYR A 199 -18.486 19.664 -6.099 1.00 16.98 C ATOM 1487 CE2 TYR A 199 -18.995 17.318 -6.633 1.00 17.63 C ATOM 1488 CZ TYR A 199 -19.149 18.455 -5.839 1.00 17.72 C ATOM 1489 OH TYR A 199 -19.887 18.342 -4.664 1.00 21.34 O ATOM 0 H TYR A 199 -18.568 17.913 -11.391 1.00 19.53 H new ATOM 0 HA TYR A 199 -17.769 20.286 -10.285 1.00 17.57 H new ATOM 0 HB2 TYR A 199 -16.459 17.828 -9.638 1.00 19.25 H new ATOM 0 HB3 TYR A 199 -15.925 19.221 -9.183 1.00 19.25 H new ATOM 0 HD1 TYR A 199 -17.317 20.564 -7.487 1.00 16.25 H new ATOM 0 HD2 TYR A 199 -18.169 16.666 -8.359 1.00 17.21 H new ATOM 0 HE1 TYR A 199 -18.558 20.384 -5.514 1.00 16.98 H new ATOM 0 HE2 TYR A 199 -19.399 16.516 -6.390 1.00 17.63 H new ATOM 0 HH TYR A 199 -20.429 17.704 -4.734 1.00 21.34 H new ATOM 1490 N ARG A 200 -15.716 20.398 -11.740 1.00 19.56 N ATOM 1491 CA ARG A 200 -14.583 20.413 -12.633 1.00 18.48 C ATOM 1492 C ARG A 200 -13.285 20.655 -11.837 1.00 18.54 C ATOM 1493 O ARG A 200 -13.224 21.526 -10.940 1.00 17.62 O ATOM 1494 CB ARG A 200 -14.780 21.540 -13.632 1.00 20.10 C ATOM 1495 CG ARG A 200 -13.589 21.745 -14.580 1.00 21.65 C ATOM 1496 CD ARG A 200 -13.863 22.937 -15.501 1.00 24.77 C ATOM 1497 NE ARG A 200 -14.877 22.512 -16.469 1.00 27.60 N ATOM 1498 CZ ARG A 200 -16.031 23.144 -16.701 1.00 34.66 C ATOM 1499 NH1 ARG A 200 -16.325 24.268 -16.070 1.00 33.49 N ATOM 1500 NH2 ARG A 200 -16.867 22.663 -17.621 1.00 34.32 N ATOM 0 H ARG A 200 -15.781 21.095 -11.241 1.00 19.56 H new ATOM 0 HA ARG A 200 -14.513 19.561 -13.091 1.00 18.48 H new ATOM 0 HB2 ARG A 200 -15.574 21.359 -14.159 1.00 20.10 H new ATOM 0 HB3 ARG A 200 -14.943 22.365 -13.148 1.00 20.10 H new ATOM 0 HG2 ARG A 200 -12.780 21.900 -14.068 1.00 21.65 H new ATOM 0 HG3 ARG A 200 -13.442 20.944 -15.107 1.00 21.65 H new ATOM 0 HD2 ARG A 200 -14.176 23.700 -14.990 1.00 24.77 H new ATOM 0 HD3 ARG A 200 -13.051 23.213 -15.954 1.00 24.77 H new ATOM 0 HE ARG A 200 -14.717 21.800 -16.924 1.00 27.60 H new ATOM 0 HH11 ARG A 200 -15.771 24.600 -15.503 1.00 33.49 H new ATOM 0 HH12 ARG A 200 -17.071 24.667 -16.227 1.00 33.49 H new ATOM 0 HH21 ARG A 200 -16.662 21.952 -18.059 1.00 34.32 H new ATOM 0 HH22 ARG A 200 -17.612 23.064 -17.777 1.00 34.32 H new ATOM 1501 N VAL A 201 -12.252 19.899 -12.187 1.00 16.80 N ATOM 1502 CA VAL A 201 -10.892 20.155 -11.614 1.00 16.91 C ATOM 1503 C VAL A 201 -10.081 20.654 -12.802 1.00 15.42 C ATOM 1504 O VAL A 201 -10.018 19.972 -13.819 1.00 15.95 O ATOM 1505 CB VAL A 201 -10.258 18.867 -11.056 1.00 15.33 C ATOM 1506 CG1 VAL A 201 -8.904 19.181 -10.410 1.00 19.89 C ATOM 1507 CG2 VAL A 201 -11.169 18.239 -9.987 1.00 16.34 C ATOM 0 H VAL A 201 -12.294 19.242 -12.741 1.00 16.80 H new ATOM 0 HA VAL A 201 -10.926 20.782 -10.875 1.00 16.91 H new ATOM 0 HB VAL A 201 -10.140 18.248 -11.793 1.00 15.33 H new ATOM 0 HG11 VAL A 201 -8.514 18.364 -10.062 1.00 19.89 H new ATOM 0 HG12 VAL A 201 -8.310 19.565 -11.074 1.00 19.89 H new ATOM 0 HG13 VAL A 201 -9.030 19.813 -9.685 1.00 19.89 H new ATOM 0 HG21 VAL A 201 -10.757 17.430 -9.645 1.00 16.34 H new ATOM 0 HG22 VAL A 201 -11.296 18.868 -9.260 1.00 16.34 H new ATOM 0 HG23 VAL A 201 -12.029 18.022 -10.381 1.00 16.34 H new ATOM 1508 N THR A 202 -9.431 21.799 -12.651 1.00 14.44 N ATOM 1509 CA THR A 202 -8.624 22.354 -13.700 1.00 15.52 C ATOM 1510 C THR A 202 -7.222 22.506 -13.138 1.00 15.31 C ATOM 1511 O THR A 202 -7.027 23.228 -12.120 1.00 16.16 O ATOM 1512 CB THR A 202 -9.125 23.795 -14.058 1.00 14.54 C ATOM 1513 OG1 THR A 202 -10.535 23.759 -14.337 1.00 18.33 O ATOM 1514 CG2 THR A 202 -8.358 24.446 -15.223 1.00 16.01 C ATOM 0 H THR A 202 -9.451 22.271 -11.932 1.00 14.44 H new ATOM 0 HA THR A 202 -8.661 21.785 -14.485 1.00 15.52 H new ATOM 0 HB THR A 202 -8.951 24.354 -13.284 1.00 14.54 H new ATOM 0 HG1 THR A 202 -10.965 23.814 -13.617 1.00 18.33 H new ATOM 0 HG21 THR A 202 -8.716 25.331 -15.392 1.00 16.01 H new ATOM 0 HG22 THR A 202 -7.418 24.516 -14.993 1.00 16.01 H new ATOM 0 HG23 THR A 202 -8.455 23.901 -16.019 1.00 16.01 H new ATOM 1515 N PHE A 203 -6.265 21.905 -13.846 1.00 14.02 N ATOM 1516 CA PHE A 203 -4.845 22.055 -13.575 1.00 15.50 C ATOM 1517 C PHE A 203 -4.395 23.318 -14.252 1.00 15.29 C ATOM 1518 O PHE A 203 -4.837 23.610 -15.406 1.00 16.01 O ATOM 1519 CB PHE A 203 -4.106 20.808 -14.069 1.00 15.45 C ATOM 1520 CG PHE A 203 -4.583 19.528 -13.435 1.00 15.40 C ATOM 1521 CD1 PHE A 203 -4.584 19.361 -12.041 1.00 16.82 C ATOM 1522 CD2 PHE A 203 -5.007 18.483 -14.245 1.00 16.98 C ATOM 1523 CE1 PHE A 203 -5.026 18.146 -11.478 1.00 16.89 C ATOM 1524 CE2 PHE A 203 -5.391 17.266 -13.701 1.00 16.11 C ATOM 1525 CZ PHE A 203 -5.429 17.113 -12.331 1.00 17.77 C ATOM 0 H PHE A 203 -6.433 21.387 -14.512 1.00 14.02 H new ATOM 0 HA PHE A 203 -4.653 22.131 -12.627 1.00 15.50 H new ATOM 0 HB2 PHE A 203 -4.210 20.741 -15.031 1.00 15.45 H new ATOM 0 HB3 PHE A 203 -3.158 20.913 -13.892 1.00 15.45 H new ATOM 0 HD1 PHE A 203 -4.293 20.051 -11.489 1.00 16.82 H new ATOM 0 HD2 PHE A 203 -5.034 18.601 -15.167 1.00 16.98 H new ATOM 0 HE1 PHE A 203 -5.049 18.033 -10.555 1.00 16.89 H new ATOM 0 HE2 PHE A 203 -5.622 16.557 -14.257 1.00 16.11 H new ATOM 0 HZ PHE A 203 -5.727 16.310 -11.968 1.00 17.77 H new ATOM 1526 N CYS A 204 -3.580 24.103 -13.518 1.00 15.90 N ATOM 1527 CA CYS A 204 -3.019 25.399 -13.968 1.00 16.66 C ATOM 1528 C CYS A 204 -4.153 26.346 -14.378 1.00 17.24 C ATOM 1529 O CYS A 204 -4.191 26.782 -15.561 1.00 16.45 O ATOM 1530 CB CYS A 204 -1.995 25.272 -15.133 1.00 17.46 C ATOM 1531 SG CYS A 204 -0.606 24.195 -14.764 1.00 17.95 S ATOM 0 H CYS A 204 -3.332 23.890 -12.723 1.00 15.90 H new ATOM 0 HA CYS A 204 -2.530 25.758 -13.211 1.00 16.66 H new ATOM 0 HB2 CYS A 204 -2.453 24.937 -15.920 1.00 17.46 H new ATOM 0 HB3 CYS A 204 -1.659 26.155 -15.355 1.00 17.46 H new ATOM 1532 N PRO A 205 -5.066 26.694 -13.419 1.00 18.14 N ATOM 1533 CA PRO A 205 -6.279 27.407 -13.818 1.00 19.82 C ATOM 1534 C PRO A 205 -5.951 28.827 -14.301 1.00 24.85 C ATOM 1535 O PRO A 205 -6.710 29.414 -15.025 1.00 22.89 O ATOM 1536 CB PRO A 205 -7.096 27.458 -12.512 1.00 20.25 C ATOM 1537 CG PRO A 205 -6.055 27.438 -11.431 1.00 18.56 C ATOM 1538 CD PRO A 205 -5.081 26.413 -11.964 1.00 17.29 C ATOM 0 HA PRO A 205 -6.746 26.978 -14.552 1.00 19.82 H new ATOM 0 HB2 PRO A 205 -7.641 28.259 -12.465 1.00 20.25 H new ATOM 0 HB3 PRO A 205 -7.698 26.701 -12.440 1.00 20.25 H new ATOM 0 HG2 PRO A 205 -5.640 28.306 -11.309 1.00 18.56 H new ATOM 0 HG3 PRO A 205 -6.425 27.177 -10.573 1.00 18.56 H new ATOM 0 HD2 PRO A 205 -4.201 26.515 -11.569 1.00 17.29 H new ATOM 0 HD3 PRO A 205 -5.373 25.507 -11.776 1.00 17.29 H new ATOM 1539 N THR A 206 -4.809 29.370 -13.910 1.00 24.22 N ATOM 1540 CA THR A 206 -4.570 30.757 -14.270 1.00 34.50 C ATOM 1541 C THR A 206 -3.620 30.837 -15.481 1.00 40.29 C ATOM 1542 O THR A 206 -3.203 31.915 -15.870 1.00 58.73 O ATOM 1543 CB THR A 206 -4.070 31.629 -13.085 1.00 35.25 C ATOM 1544 OG1 THR A 206 -2.657 31.727 -13.159 1.00 43.93 O ATOM 1545 CG2 THR A 206 -4.438 31.099 -11.760 1.00 35.77 C ATOM 0 H THR A 206 -4.189 28.979 -13.460 1.00 24.22 H new ATOM 0 HA THR A 206 -5.428 31.136 -14.519 1.00 34.50 H new ATOM 0 HB THR A 206 -4.501 32.494 -13.171 1.00 35.25 H new ATOM 0 HG1 THR A 206 -2.375 32.198 -12.523 1.00 43.93 H new ATOM 0 HG21 THR A 206 -4.097 31.688 -11.069 1.00 35.77 H new ATOM 0 HG22 THR A 206 -5.404 31.045 -11.690 1.00 35.77 H new ATOM 0 HG23 THR A 206 -4.056 30.215 -11.648 1.00 35.77 H new ATOM 1546 N ALA A 207 -3.310 29.702 -16.093 1.00 50.07 N ATOM 1547 CA ALA A 207 -2.424 29.643 -17.274 1.00 59.82 C ATOM 1548 C ALA A 207 -2.893 30.543 -18.479 1.00 61.10 C ATOM 1549 O ALA A 207 -3.560 30.108 -19.432 1.00 64.81 O ATOM 1550 CB ALA A 207 -2.141 28.185 -17.672 1.00 48.12 C ATOM 0 H ALA A 207 -3.604 28.934 -15.841 1.00 50.07 H new ATOM 0 HA ALA A 207 -1.580 30.042 -17.009 1.00 59.82 H new ATOM 0 HB1 ALA A 207 -1.559 28.168 -18.448 1.00 48.12 H new ATOM 0 HB2 ALA A 207 -1.709 27.726 -16.934 1.00 48.12 H new ATOM 0 HB3 ALA A 207 -2.976 27.740 -17.885 1.00 48.12 H new TER 1551 ALA A 207 HETATM 1552 O1 TLA A 301 16.737 18.589 10.461 1.00 58.43 O HETATM 1553 O11 TLA A 301 17.468 19.461 12.349 1.00 65.47 O HETATM 1554 C1 TLA A 301 16.525 19.215 11.532 1.00 46.61 C HETATM 1555 C2 TLA A 301 15.098 19.740 11.869 1.00 44.01 C HETATM 1556 O2 TLA A 301 14.922 20.242 13.261 1.00 33.85 O HETATM 1557 C3 TLA A 301 13.962 18.718 11.463 1.00 37.56 C HETATM 1558 O3 TLA A 301 13.952 17.410 12.137 1.00 39.29 O HETATM 1559 C4 TLA A 301 12.600 19.346 11.663 1.00 35.96 C HETATM 1560 O4 TLA A 301 12.353 20.419 11.055 1.00 31.52 O HETATM 1561 O41 TLA A 301 11.785 18.755 12.515 1.00 37.70 O HETATM 0 HB TLA A 301 13.205 17.288 12.501 1.00 39.29 H new HETATM 0 HA TLA A 301 15.663 20.236 13.657 1.00 33.85 H new HETATM 0 H3 TLA A 301 14.169 18.529 10.534 1.00 37.56 H new HETATM 0 H2 TLA A 301 15.001 20.526 11.309 1.00 44.01 H new HETATM 1562 O1 TLA A 302 -11.244 12.434 -25.441 1.00 51.40 O HETATM 1563 O11 TLA A 302 -11.289 12.191 -23.301 1.00 67.67 O HETATM 1564 C1 TLA A 302 -10.938 12.852 -24.299 1.00 49.45 C HETATM 1565 C2 TLA A 302 -10.120 14.186 -24.219 1.00 49.97 C HETATM 1566 O2 TLA A 302 -9.538 14.531 -22.969 1.00 53.16 O HETATM 1567 C3 TLA A 302 -10.805 15.449 -24.897 1.00 49.99 C HETATM 1568 O3 TLA A 302 -12.258 15.512 -24.651 1.00 43.77 O HETATM 1569 C4 TLA A 302 -10.022 16.840 -24.836 1.00 53.76 C HETATM 1570 O4 TLA A 302 -8.981 17.127 -25.633 1.00 48.39 O HETATM 1571 O41 TLA A 302 -10.494 17.712 -24.052 1.00 44.18 O HETATM 0 HB TLA A 302 -12.576 16.193 -25.025 1.00 43.77 H new HETATM 0 HA TLA A 302 -10.134 14.822 -22.453 1.00 53.16 H new HETATM 0 H3 TLA A 302 -10.709 15.271 -25.846 1.00 49.99 H new HETATM 0 H2 TLA A 302 -9.368 13.928 -24.775 1.00 49.97 H new HETATM 1572 O HOH A 401 -10.709 20.029 -23.862 1.00 18.03 O HETATM 1573 O HOH A 402 13.653 21.925 9.796 1.00 18.48 O HETATM 1574 O HOH A 403 -21.721 14.446 -6.016 1.00 26.89 O HETATM 1575 O HOH A 404 8.201 16.754 -12.557 1.00 34.41 O HETATM 1576 O HOH A 405 16.317 20.795 9.200 1.00 31.36 O HETATM 1577 O HOH A 406 -4.977 15.736 2.564 1.00 25.78 O HETATM 1578 O HOH A 407 -13.358 21.407 -20.856 1.00 23.03 O HETATM 1579 O HOH A 408 -0.156 26.572 8.770 1.00 20.62 O HETATM 1580 O HOH A 409 1.969 6.197 -11.550 1.00 21.98 O HETATM 1581 O HOH A 410 -5.065 19.867 -26.818 1.00 20.95 O HETATM 1582 O HOH A 411 1.334 14.925 16.932 1.00 33.45 O HETATM 1583 O HOH A 412 -0.783 11.869 -2.520 1.00 29.47 O HETATM 1584 O HOH A 413 1.883 20.973 4.272 1.00 21.98 O HETATM 1585 O HOH A 414 -10.229 23.636 0.537 1.00 22.17 O HETATM 1586 O HOH A 415 -26.796 11.355 1.438 1.00 31.43 O HETATM 1587 O HOH A 416 -12.170 23.936 -12.060 1.00 20.72 O HETATM 1588 O HOH A 417 -1.904 17.349 -8.309 1.00 16.26 O HETATM 1589 O HOH A 418 -1.473 17.577 -0.729 1.00 18.42 O HETATM 1590 O HOH A 419 -16.867 20.624 -21.545 1.00 24.17 O HETATM 1591 O HOH A 420 -22.858 11.824 -6.176 1.00 22.54 O HETATM 1592 O HOH A 421 3.370 21.166 9.853 1.00 16.06 O HETATM 1593 O HOH A 422 3.217 27.072 16.142 1.00 24.37 O HETATM 1594 O HOH A 423 10.365 29.931 13.925 1.00 25.33 O HETATM 1595 O HOH A 424 4.777 16.475 -17.027 1.00 20.00 O HETATM 1596 O HOH A 425 -2.046 2.189 -8.214 1.00 30.04 O HETATM 1597 O HOH A 426 6.393 10.102 -8.012 1.00 19.20 O HETATM 1598 O HOH A 427 1.609 25.842 -17.508 1.00 29.82 O HETATM 1599 O HOH A 428 7.356 11.797 -5.990 1.00 23.91 O HETATM 1600 O HOH A 429 4.335 23.231 15.854 1.00 23.87 O HETATM 1601 O HOH A 430 -5.836 29.343 -1.679 1.00 23.54 O HETATM 1602 O HOH A 431 12.778 17.830 0.224 1.00 33.21 O HETATM 1603 O HOH A 432 -2.209 25.616 2.211 1.00 18.91 O HETATM 1604 O HOH A 433 2.167 14.053 4.823 1.00 30.37 O HETATM 1605 O HOH A 434 1.836 20.231 12.118 1.00 17.03 O HETATM 1606 O HOH A 435 2.635 33.041 -6.493 1.00 34.77 O HETATM 1607 O HOH A 436 4.315 26.431 -8.701 1.00 24.66 O HETATM 1608 O HOH A 437 5.079 16.488 18.632 1.00 22.69 O HETATM 1609 O HOH A 438 -10.342 12.453 0.158 1.00 26.55 O HETATM 1610 O HOH A 439 4.383 21.156 5.503 1.00 18.50 O HETATM 1611 O HOH A 440 -2.975 10.715 -4.071 1.00 26.11 O HETATM 1612 O HOH A 441 6.719 30.459 7.180 1.00 27.14 O HETATM 1613 O HOH A 442 -3.424 4.080 -1.169 1.00 30.67 O HETATM 1614 O HOH A 443 -16.649 4.943 -0.677 1.00 36.02 O HETATM 1615 O HOH A 444 -2.230 28.218 -12.686 1.00 27.82 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