USER MOD reduce.3.24.130724 H: found=0, std=0, add=1482, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PLANT PROTEIN 08-JUL-16 5LH7 TITLE HIGH DOSE THAUMATIN - 760-800 MS. COMPND MOL_ID: 1; COMPND 2 MOLECULE: THAUMATIN-1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: THAUMATIN I SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; SOURCE 3 ORGANISM_COMMON: KATEMFE; SOURCE 4 ORGANISM_TAXID: 4621 KEYWDS MULTICRYSTAL, ROOM-TEMPERATURE, THAUMATIN, PLANT PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR R.SCHUBERT,S.KAPIS,M.HEYMANN,Y.GIQUEL,G.BOURENKOV,T.SCHNEIDER, AUTHOR 2 C.BETZEL,M.PERBANDT REVDAT 1 09-NOV-16 5LH7 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. 2.28 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) : 2.28 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.94 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 90.1 REMARK 3 NUMBER OF REFLECTIONS : 11604 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.174 REMARK 3 R VALUE (WORKING SET) : 0.172 REMARK 3 FREE R VALUE : 0.232 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.200 REMARK 3 FREE R VALUE TEST SET COUNT : 257 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.26 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.32 REMARK 3 REFLECTION IN BIN (WORKING SET) : 819 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 91.16 REMARK 3 BIN R VALUE (WORKING SET) : 0.2610 REMARK 3 BIN FREE R VALUE SET COUNT : 16 REMARK 3 BIN FREE R VALUE : 0.3430 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 : 46 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 39.59 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.77 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.02000 REMARK 3 B22 (A**2) : 0.02000 REMARK 3 B33 (A**2) : -0.03000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.227 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.203 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.148 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.361 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.961 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.934 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1612 ; 0.019 ; 0.020 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2189 ; 2.071 ; 1.958 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 206 ; 7.771 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 66 ;39.712 ;23.030 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 241 ;15.553 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;22.109 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 234 ; 0.119 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1243 ; 0.008 ; 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 ; 2.613 ; 2.846 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1032 ; 3.944 ; 4.252 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 785 ; 5.033 ; 3.378 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 5LH7 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_1200000726. 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 : 11604 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.280 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 (%) : 90.1 REMARK 200 DATA REDUNDANCY : 3.000 REMARK 200 R MERGE (I) : 0.19600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 5.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.28 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.36 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.83500 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 (%): 57.78 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 75.81000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 29.22500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 29.22500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.90500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 29.22500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 29.22500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 113.71500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 29.22500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 29.22500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 37.90500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 29.22500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 29.22500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 113.71500 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 75.81000 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: 300 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9800 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O SER A 36 O41 TLA A 302 2.12 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O11 TLA A 301 O1 TLA A 302 3555 1.51 REMARK 500 O2 TLA A 301 O3 TLA A 302 3555 1.59 REMARK 500 O2 TLA A 301 C4 TLA A 302 3555 1.66 REMARK 500 O2 TLA A 301 C3 TLA A 302 3555 1.86 REMARK 500 CG2 THR A 154 C2 TLA A 302 3555 1.99 REMARK 500 O3 TLA A 301 O41 TLA A 302 3555 2.04 REMARK 500 CG2 THR A 154 O2 TLA A 302 3555 2.17 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 ASP A 59 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES REMARK 500 ARG A 171 NE - CZ - NH2 ANGL. DEV. = -3.5 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 ALA A 22 140.43 -170.05 REMARK 500 ASP A 25 -139.28 54.83 REMARK 500 CYS A 71 78.50 -115.83 REMARK 500 CYS A 159 51.75 34.36 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 residue TLA A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue TLA A 302 DBREF 5LH7 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 *46(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 1.99 SSBOND *** CYS A 56 CYS A 66 1555 1555 2.08 SSBOND *** CYS A 71 CYS A 77 1555 1555 2.02 SSBOND *** CYS A 121 CYS A 193 1555 1555 2.02 SSBOND *** CYS A 126 CYS A 177 1555 1555 2.07 SSBOND *** CYS A 134 CYS A 145 1555 1555 2.07 SSBOND *** CYS A 149 CYS A 158 1555 1555 2.08 SSBOND *** CYS A 159 CYS A 164 1555 1555 1.96 CISPEP 1 PRO A 83 PRO A 84 0 5.58 SITE *** AC1 5 ARG A 29 GLU A 35 SER A 36 TYR A 157 SITE *** AC1 5 TLA A 302 SITE *** AC2 9 GLY A 34 GLU A 35 SER A 36 LYS A 67 SITE *** AC2 9 PHE A 152 THR A 154 GLU A 156 TYR A 157 SITE *** AC2 9 TLA A 301 CRYST1 58.450 58.450 151.620 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 0.017109 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017109 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006595 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 36 SER OG : rot 126:sc= 1.17 USER MOD Set 1.2: A 302 TLA O2 : rot 150:sc= -5.43! USER MOD Set 2.1: A 93 ASN : amide:sc= -9.46! K(o=-9.4!,f=0.43) USER MOD Set 2.2: A 196 SER OG : rot 18:sc= 0.0221 USER MOD Set 3.1: A 167 THR OG1 : rot 163:sc= 1.18 USER MOD Set 3.2: A 170 SER OG : rot 99:sc= 2.16 USER MOD Set 4.1: A 155 SER OG : rot -49:sc= 0.0199 USER MOD Set 4.2: A 160 THR OG1 : rot 180:sc= -0.685 USER MOD Set 5.1: A 113 ASN : amide:sc= 1.83 K(o=2.9,f=-0.069!) USER MOD Set 5.2: A 115 SER OG : rot -160:sc= 1.11 USER MOD Set 6.1: A 46 ASN : amide:sc= -0.239 K(o=-1.2,f=-2.4) USER MOD Set 6.2: A 94 GLN : amide:sc= -0.999 X(o=-1.2,f=-1.7!) USER MOD Set 7.1: A 54 THR OG1 : rot -71:sc= 1.94 USER MOD Set 7.2: A 68 THR OG1 : rot 126:sc= 1.51 USER MOD Set 7.3: A 86 THR OG1 : rot 158:sc= 0.943 USER MOD Set 7.4: A 109 ASN : amide:sc= -3.95! K(o=0.44!,f=6.5) USER MOD Set 8.1: A 12 THR OG1 : rot -15:sc= 0.0822 USER MOD Set 8.2: A 30 GLN : amide:sc= -2.9! K(o=-6.2!,f=0.1) USER MOD Set 8.3: A 32 ASN : amide:sc= -3.4! K(o=-6.2!,f=1.1) USER MOD Single : A 1 ALA N :NH3+ 169:sc= 1.27 (180deg=1.24) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.581 K(o=0.58,f=-5.6!) USER MOD Single : A 10 SER OG : rot -107:sc= 0.00321 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 92:sc= 0.898 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= 0.255 (180deg=-0.224) USER MOD Single : A 33 SER OG : rot 81:sc= 0.989 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.589 K(o=-0.59,f=-1.6) USER MOD Single : A 45 THR OG1 : rot 81:sc= 1.09 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 0.565 (180deg=0.183) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -25:sc= 0.726 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+ 175:sc= -0.0351 (180deg=-0.0803) USER MOD Single : A 85 THR OG1 : rot 38:sc= 1.02 USER MOD Single : A 91 SER OG : rot 180:sc= 0.147 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 180:sc= 0.00919 USER MOD Single : A 104 ASN : amide:sc= -0.603 K(o=-0.6,f=0.0032) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl -127:sc= -0.0724 (180deg=-0.346) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 140:sc= 0.0488 USER MOD Single : A 133 GLN : amide:sc= -0.704 K(o=-0.7,f=-1.9!) USER MOD Single : A 137 LYS NZ :NH3+ 147:sc= -0.0157 (180deg=-0.167) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.097) USER MOD Single : A 150 THR OG1 : rot 141:sc= 1.28 USER MOD Single : A 153 GLN : amide:sc= 0.736 K(o=0.74,f=-0.003) USER MOD Single : A 154 THR OG1 : rot -100:sc= 0.878 USER MOD Single : A 157 TYR OH : rot -172:sc= 1.9 USER MOD Single : A 161 THR OG1 : rot -74:sc= 0.408 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 152:sc= 0.463 (180deg=0.235) USER MOD Single : A 182 SER OG : rot -64:sc= 1.7 USER MOD Single : A 183 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 THR OG1 : rot 149:sc= 0.196 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot -84:sc= 0.00111 USER MOD Single : A 197 SER OG : rot 67:sc= 0.782 USER MOD Single : A 198 ASN : amide:sc= 1.05 K(o=1.1,f=-4.9!) USER MOD Single : A 199 TYR OH : rot 161:sc= -0.992 USER MOD Single : A 202 THR OG1 : rot 82:sc= 1.14 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 301 TLA O2 : rot -12:sc= 0.223 USER MOD Single : A 301 TLA O3 : rot 118:sc= 0.0454 USER MOD Single : A 302 TLA O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.796 11.117 -9.629 1.00 35.55 N ATOM 2 CA ALA A 1 -21.423 12.501 -10.013 1.00 33.31 C ATOM 3 C ALA A 1 -20.427 12.445 -11.186 1.00 31.16 C ATOM 4 O ALA A 1 -19.713 11.450 -11.347 1.00 29.55 O ATOM 5 CB ALA A 1 -20.837 13.236 -8.831 1.00 30.63 C ATOM 0 H1 ALA A 1 -22.241 11.132 -8.858 1.00 35.55 H new ATOM 0 H2 ALA A 1 -22.311 10.762 -10.262 1.00 35.55 H new ATOM 0 H3 ALA A 1 -21.060 10.626 -9.536 1.00 35.55 H new ATOM 0 HA ALA A 1 -22.213 12.988 -10.295 1.00 33.31 H new ATOM 0 HB1 ALA A 1 -20.598 14.138 -9.097 1.00 30.63 H new ATOM 0 HB2 ALA A 1 -21.491 13.272 -8.116 1.00 30.63 H new ATOM 0 HB3 ALA A 1 -20.045 12.770 -8.521 1.00 30.63 H new ATOM 6 N THR A 2 -20.443 13.482 -12.027 1.00 29.80 N ATOM 7 CA THR A 2 -19.418 13.645 -13.049 1.00 30.30 C ATOM 8 C THR A 2 -18.456 14.772 -12.685 1.00 27.22 C ATOM 9 O THR A 2 -18.832 15.808 -12.110 1.00 25.20 O ATOM 10 CB THR A 2 -19.983 13.865 -14.467 1.00 32.13 C ATOM 11 OG1 THR A 2 -20.586 15.135 -14.488 1.00 36.97 O ATOM 12 CG2 THR A 2 -21.084 12.811 -14.800 1.00 32.03 C ATOM 0 H THR A 2 -21.041 14.100 -12.019 1.00 29.80 H new ATOM 0 HA THR A 2 -18.937 12.803 -13.072 1.00 30.30 H new ATOM 0 HB THR A 2 -19.264 13.785 -15.114 1.00 32.13 H new ATOM 0 HG1 THR A 2 -20.902 15.283 -15.252 1.00 36.97 H new ATOM 0 HG21 THR A 2 -21.424 12.969 -15.695 1.00 32.03 H new ATOM 0 HG22 THR A 2 -20.704 11.920 -14.752 1.00 32.03 H new ATOM 0 HG23 THR A 2 -21.810 12.888 -14.161 1.00 32.03 H new ATOM 13 N PHE A 3 -17.201 14.502 -13.018 1.00 26.36 N ATOM 14 CA PHE A 3 -16.085 15.379 -12.859 1.00 24.62 C ATOM 15 C PHE A 3 -15.403 15.596 -14.220 1.00 24.70 C ATOM 16 O PHE A 3 -14.993 14.645 -14.917 1.00 25.29 O ATOM 17 CB PHE A 3 -15.091 14.671 -11.965 1.00 24.64 C ATOM 18 CG PHE A 3 -15.447 14.671 -10.514 1.00 25.55 C ATOM 19 CD1 PHE A 3 -16.283 13.682 -9.975 1.00 27.04 C ATOM 20 CD2 PHE A 3 -14.875 15.593 -9.641 1.00 27.73 C ATOM 21 CE1 PHE A 3 -16.568 13.662 -8.606 1.00 26.02 C ATOM 22 CE2 PHE A 3 -15.178 15.577 -8.266 1.00 25.49 C ATOM 23 CZ PHE A 3 -16.023 14.613 -7.771 1.00 23.55 C ATOM 0 H PHE A 3 -16.977 13.748 -13.365 1.00 26.36 H new ATOM 0 HA PHE A 3 -16.374 16.229 -12.493 1.00 24.62 H new ATOM 0 HB2 PHE A 3 -15.003 13.752 -12.264 1.00 24.64 H new ATOM 0 HB3 PHE A 3 -14.222 15.089 -12.073 1.00 24.64 H new ATOM 0 HD1 PHE A 3 -16.651 13.035 -10.532 1.00 27.04 H new ATOM 0 HD2 PHE A 3 -14.283 16.230 -9.972 1.00 27.73 H new ATOM 0 HE1 PHE A 3 -17.127 13.005 -8.258 1.00 26.02 H new ATOM 0 HE2 PHE A 3 -14.809 16.214 -7.697 1.00 25.49 H new ATOM 0 HZ PHE A 3 -16.229 14.602 -6.864 1.00 23.55 H new ATOM 24 N GLU A 4 -15.282 16.830 -14.615 1.00 22.92 N ATOM 25 CA GLU A 4 -14.524 17.109 -15.806 1.00 24.99 C ATOM 26 C GLU A 4 -13.136 17.533 -15.348 1.00 24.94 C ATOM 27 O GLU A 4 -12.998 18.505 -14.589 1.00 24.12 O ATOM 28 CB GLU A 4 -15.146 18.227 -16.603 1.00 24.18 C ATOM 29 CG GLU A 4 -14.302 18.550 -17.802 1.00 25.00 C ATOM 30 CD GLU A 4 -14.970 19.514 -18.769 1.00 27.42 C ATOM 31 OE1 GLU A 4 -15.346 20.624 -18.370 1.00 29.49 O ATOM 32 OE2 GLU A 4 -15.112 19.164 -19.951 1.00 32.89 O ATOM 0 H GLU A 4 -15.622 17.514 -14.220 1.00 22.92 H new ATOM 0 HA GLU A 4 -14.498 16.324 -16.376 1.00 24.99 H new ATOM 0 HB2 GLU A 4 -16.038 17.972 -16.887 1.00 24.18 H new ATOM 0 HB3 GLU A 4 -15.241 19.015 -16.046 1.00 24.18 H new ATOM 0 HG2 GLU A 4 -13.462 18.932 -17.504 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -14.090 17.728 -18.271 1.00 25.00 H new ATOM 33 N ILE A 5 -12.116 16.855 -15.860 1.00 21.60 N ATOM 34 CA ILE A 5 -10.763 17.159 -15.435 1.00 20.92 C ATOM 35 C ILE A 5 -10.058 17.800 -16.636 1.00 22.54 C ATOM 36 O ILE A 5 -9.858 17.144 -17.698 1.00 21.96 O ATOM 37 CB ILE A 5 -10.052 15.861 -14.986 1.00 22.17 C ATOM 38 CG1 ILE A 5 -10.861 15.130 -13.897 1.00 22.09 C ATOM 39 CG2 ILE A 5 -8.626 16.134 -14.566 1.00 21.12 C ATOM 40 CD1 ILE A 5 -10.133 13.919 -13.337 1.00 25.09 C ATOM 0 H ILE A 5 -12.186 16.227 -16.444 1.00 21.60 H new ATOM 0 HA ILE A 5 -10.750 17.766 -14.679 1.00 20.92 H new ATOM 0 HB ILE A 5 -10.007 15.262 -15.748 1.00 22.17 H new ATOM 0 HG12 ILE A 5 -11.056 15.748 -13.175 1.00 22.09 H new ATOM 0 HG13 ILE A 5 -11.712 14.848 -14.267 1.00 22.09 H new ATOM 0 HG21 ILE A 5 -8.205 15.305 -14.290 1.00 21.12 H new ATOM 0 HG22 ILE A 5 -8.135 16.512 -15.312 1.00 21.12 H new ATOM 0 HG23 ILE A 5 -8.621 16.761 -13.826 1.00 21.12 H new ATOM 0 HD11 ILE A 5 -10.682 13.496 -12.658 1.00 25.09 H new ATOM 0 HD12 ILE A 5 -9.959 13.287 -14.052 1.00 25.09 H new ATOM 0 HD13 ILE A 5 -9.292 14.200 -12.943 1.00 25.09 H new ATOM 41 N VAL A 6 -9.653 19.059 -16.465 1.00 20.76 N ATOM 42 CA VAL A 6 -9.103 19.850 -17.546 1.00 21.01 C ATOM 43 C VAL A 6 -7.644 20.167 -17.271 1.00 20.38 C ATOM 44 O VAL A 6 -7.331 20.686 -16.212 1.00 20.12 O ATOM 45 CB VAL A 6 -9.920 21.149 -17.779 1.00 20.39 C ATOM 46 CG1 VAL A 6 -9.311 22.021 -18.900 1.00 19.05 C ATOM 47 CG2 VAL A 6 -11.420 20.840 -18.030 1.00 19.78 C ATOM 0 H VAL A 6 -9.693 19.473 -15.712 1.00 20.76 H new ATOM 0 HA VAL A 6 -9.160 19.327 -18.361 1.00 21.01 H new ATOM 0 HB VAL A 6 -9.869 21.671 -16.963 1.00 20.39 H new ATOM 0 HG11 VAL A 6 -9.847 22.821 -19.016 1.00 19.05 H new ATOM 0 HG12 VAL A 6 -8.405 22.272 -18.659 1.00 19.05 H new ATOM 0 HG13 VAL A 6 -9.297 21.519 -19.730 1.00 19.05 H new ATOM 0 HG21 VAL A 6 -11.902 21.670 -18.172 1.00 19.78 H new ATOM 0 HG22 VAL A 6 -11.508 20.277 -18.815 1.00 19.78 H new ATOM 0 HG23 VAL A 6 -11.789 20.380 -17.260 1.00 19.78 H new ATOM 48 N ASN A 7 -6.782 19.868 -18.244 1.00 19.51 N ATOM 49 CA ASN A 7 -5.393 20.294 -18.203 1.00 20.53 C ATOM 50 C ASN A 7 -5.172 21.620 -18.910 1.00 19.76 C ATOM 51 O ASN A 7 -5.062 21.647 -20.111 1.00 19.71 O ATOM 52 CB ASN A 7 -4.430 19.244 -18.795 1.00 21.25 C ATOM 53 CG ASN A 7 -2.967 19.665 -18.623 1.00 23.01 C ATOM 54 OD1 ASN A 7 -2.692 20.532 -17.792 1.00 21.98 O ATOM 55 ND2 ASN A 7 -2.035 19.103 -19.440 1.00 22.69 N ATOM 0 H ASN A 7 -6.991 19.413 -18.943 1.00 19.51 H new ATOM 0 HA ASN A 7 -5.193 20.402 -17.260 1.00 20.53 H new ATOM 0 HB2 ASN A 7 -4.575 18.389 -18.361 1.00 21.25 H new ATOM 0 HB3 ASN A 7 -4.624 19.120 -19.737 1.00 21.25 H new ATOM 0 HD21 ASN A 7 -1.213 19.351 -19.389 1.00 22.69 H new ATOM 0 HD22 ASN A 7 -2.268 18.500 -20.007 1.00 22.69 H new ATOM 56 N ARG A 8 -5.106 22.712 -18.177 1.00 20.48 N ATOM 57 CA ARG A 8 -4.786 23.992 -18.775 1.00 20.50 C ATOM 58 C ARG A 8 -3.255 24.322 -18.689 1.00 22.67 C ATOM 59 O ARG A 8 -2.824 25.385 -19.073 1.00 22.68 O ATOM 60 CB ARG A 8 -5.675 25.087 -18.168 1.00 21.30 C ATOM 61 CG ARG A 8 -5.534 26.494 -18.791 1.00 21.88 C ATOM 62 CD ARG A 8 -6.505 27.534 -18.221 1.00 19.82 C ATOM 63 NE ARG A 8 -7.874 27.127 -18.448 1.00 22.81 N ATOM 64 CZ ARG A 8 -8.943 27.433 -17.688 1.00 28.10 C ATOM 65 NH1 ARG A 8 -8.840 28.209 -16.604 1.00 26.57 N ATOM 66 NH2 ARG A 8 -10.139 26.948 -18.001 1.00 23.33 N ATOM 0 H ARG A 8 -5.243 22.735 -17.328 1.00 20.48 H new ATOM 0 HA ARG A 8 -4.980 23.948 -19.724 1.00 20.50 H new ATOM 0 HB2 ARG A 8 -6.601 24.809 -18.247 1.00 21.30 H new ATOM 0 HB3 ARG A 8 -5.478 25.151 -17.220 1.00 21.30 H new ATOM 0 HG2 ARG A 8 -4.626 26.807 -18.657 1.00 21.88 H new ATOM 0 HG3 ARG A 8 -5.672 26.428 -19.749 1.00 21.88 H new ATOM 0 HD2 ARG A 8 -6.348 27.644 -17.270 1.00 19.82 H new ATOM 0 HD3 ARG A 8 -6.345 28.396 -18.636 1.00 19.82 H new ATOM 0 HE ARG A 8 -8.021 26.639 -19.140 1.00 22.81 H new ATOM 0 HH11 ARG A 8 -8.075 28.528 -16.375 1.00 26.57 H new ATOM 0 HH12 ARG A 8 -9.539 28.389 -16.136 1.00 26.57 H new ATOM 0 HH21 ARG A 8 -10.230 26.439 -18.688 1.00 23.33 H new ATOM 0 HH22 ARG A 8 -10.822 27.143 -17.516 1.00 23.33 H new ATOM 67 N CYS A 9 -2.438 23.427 -18.150 1.00 22.45 N ATOM 68 CA CYS A 9 -1.023 23.678 -18.129 1.00 22.63 C ATOM 69 C CYS A 9 -0.489 23.637 -19.561 1.00 23.42 C ATOM 70 O CYS A 9 -1.070 23.000 -20.457 1.00 21.51 O ATOM 71 CB CYS A 9 -0.313 22.646 -17.254 1.00 24.24 C ATOM 72 SG CYS A 9 -1.062 22.487 -15.602 1.00 22.95 S ATOM 0 H CYS A 9 -2.685 22.682 -17.799 1.00 22.45 H new ATOM 0 HA CYS A 9 -0.852 24.555 -17.750 1.00 22.63 H new ATOM 0 HB2 CYS A 9 -0.332 21.784 -17.698 1.00 24.24 H new ATOM 0 HB3 CYS A 9 0.620 22.895 -17.159 1.00 24.24 H new ATOM 73 N SER A 10 0.633 24.301 -19.771 1.00 22.68 N ATOM 74 CA SER A 10 1.314 24.197 -21.035 1.00 25.97 C ATOM 75 C SER A 10 2.081 22.880 -21.231 1.00 26.62 C ATOM 76 O SER A 10 2.593 22.640 -22.315 1.00 28.73 O ATOM 77 CB SER A 10 2.252 25.361 -21.221 1.00 27.01 C ATOM 78 OG SER A 10 3.254 25.193 -20.271 1.00 34.45 O ATOM 0 H SER A 10 1.012 24.814 -19.195 1.00 22.68 H new ATOM 0 HA SER A 10 0.617 24.210 -21.709 1.00 25.97 H new ATOM 0 HB2 SER A 10 2.621 25.371 -22.118 1.00 27.01 H new ATOM 0 HB3 SER A 10 1.790 26.204 -21.095 1.00 27.01 H new ATOM 0 HG SER A 10 3.156 25.758 -19.657 1.00 34.45 H new ATOM 79 N TYR A 11 2.128 22.017 -20.217 1.00 24.41 N ATOM 80 CA TYR A 11 2.801 20.725 -20.322 1.00 22.42 C ATOM 81 C TYR A 11 1.785 19.594 -20.015 1.00 21.41 C ATOM 82 O TYR A 11 0.737 19.837 -19.423 1.00 21.41 O ATOM 83 CB TYR A 11 4.011 20.725 -19.342 1.00 22.65 C ATOM 84 CG TYR A 11 3.598 21.147 -17.924 1.00 23.99 C ATOM 85 CD1 TYR A 11 2.994 20.236 -17.062 1.00 21.98 C ATOM 86 CD2 TYR A 11 3.759 22.472 -17.474 1.00 23.77 C ATOM 87 CE1 TYR A 11 2.578 20.626 -15.807 1.00 22.21 C ATOM 88 CE2 TYR A 11 3.364 22.869 -16.196 1.00 21.53 C ATOM 89 CZ TYR A 11 2.784 21.920 -15.356 1.00 22.13 C ATOM 90 OH TYR A 11 2.367 22.235 -14.066 1.00 20.69 O ATOM 0 H TYR A 11 1.770 22.165 -19.449 1.00 24.41 H new ATOM 0 HA TYR A 11 3.139 20.570 -21.218 1.00 22.42 H new ATOM 0 HB2 TYR A 11 4.404 19.839 -19.314 1.00 22.65 H new ATOM 0 HB3 TYR A 11 4.695 21.328 -19.673 1.00 22.65 H new ATOM 0 HD1 TYR A 11 2.870 19.356 -17.335 1.00 21.98 H new ATOM 0 HD2 TYR A 11 4.139 23.100 -18.045 1.00 23.77 H new ATOM 0 HE1 TYR A 11 2.152 20.011 -15.254 1.00 22.21 H new ATOM 0 HE2 TYR A 11 3.485 23.746 -15.911 1.00 21.53 H new ATOM 0 HH TYR A 11 2.543 23.040 -13.903 1.00 20.69 H new ATOM 91 N THR A 12 2.095 18.379 -20.452 1.00 19.39 N ATOM 92 CA THR A 12 1.272 17.222 -20.252 1.00 19.39 C ATOM 93 C THR A 12 1.284 16.794 -18.794 1.00 21.16 C ATOM 94 O THR A 12 2.308 16.820 -18.153 1.00 22.21 O ATOM 95 CB THR A 12 1.833 16.064 -21.069 1.00 21.36 C ATOM 96 OG1 THR A 12 1.879 16.478 -22.434 1.00 22.15 O ATOM 97 CG2 THR A 12 0.947 14.827 -20.986 1.00 19.96 C ATOM 0 H THR A 12 2.818 18.211 -20.887 1.00 19.39 H new ATOM 0 HA THR A 12 0.368 17.445 -20.522 1.00 19.39 H new ATOM 0 HB THR A 12 2.709 15.837 -20.720 1.00 21.36 H new ATOM 0 HG1 THR A 12 1.414 17.170 -22.533 1.00 22.15 H new ATOM 0 HG21 THR A 12 1.336 14.114 -21.517 1.00 19.96 H new ATOM 0 HG22 THR A 12 0.877 14.540 -20.062 1.00 19.96 H new ATOM 0 HG23 THR A 12 0.064 15.038 -21.326 1.00 19.96 H new ATOM 98 N VAL A 13 0.116 16.458 -18.264 1.00 19.28 N ATOM 99 CA VAL A 13 -0.011 15.848 -16.963 1.00 18.18 C ATOM 100 C VAL A 13 -0.654 14.513 -17.204 1.00 19.08 C ATOM 101 O VAL A 13 -1.291 14.264 -18.273 1.00 19.28 O ATOM 102 CB VAL A 13 -0.773 16.737 -15.934 1.00 16.89 C ATOM 103 CG1 VAL A 13 -0.013 18.034 -15.763 1.00 17.37 C ATOM 104 CG2 VAL A 13 -2.180 17.060 -16.374 1.00 17.77 C ATOM 0 H VAL A 13 -0.636 16.583 -18.663 1.00 19.28 H new ATOM 0 HA VAL A 13 0.856 15.739 -16.542 1.00 18.18 H new ATOM 0 HB VAL A 13 -0.831 16.240 -15.103 1.00 16.89 H new ATOM 0 HG11 VAL A 13 -0.476 18.599 -15.124 1.00 17.37 H new ATOM 0 HG12 VAL A 13 0.881 17.845 -15.438 1.00 17.37 H new ATOM 0 HG13 VAL A 13 0.044 18.491 -16.617 1.00 17.37 H new ATOM 0 HG21 VAL A 13 -2.610 17.613 -15.703 1.00 17.77 H new ATOM 0 HG22 VAL A 13 -2.154 17.538 -17.218 1.00 17.77 H new ATOM 0 HG23 VAL A 13 -2.682 16.237 -16.485 1.00 17.77 H new ATOM 105 N TRP A 14 -0.436 13.624 -16.253 1.00 17.96 N ATOM 106 CA TRP A 14 -1.159 12.361 -16.247 1.00 19.28 C ATOM 107 C TRP A 14 -2.055 12.472 -15.048 1.00 18.79 C ATOM 108 O TRP A 14 -1.562 12.397 -13.952 1.00 21.46 O ATOM 109 CB TRP A 14 -0.163 11.165 -16.139 1.00 18.61 C ATOM 110 CG TRP A 14 0.544 10.917 -17.418 1.00 18.96 C ATOM 111 CD1 TRP A 14 0.249 9.943 -18.337 1.00 18.27 C ATOM 112 CD2 TRP A 14 1.640 11.685 -17.978 1.00 18.88 C ATOM 113 NE1 TRP A 14 1.092 10.056 -19.412 1.00 20.00 N ATOM 114 CE2 TRP A 14 1.958 11.098 -19.217 1.00 19.74 C ATOM 115 CE3 TRP A 14 2.411 12.770 -17.523 1.00 18.38 C ATOM 116 CZ2 TRP A 14 2.992 11.585 -20.030 1.00 21.02 C ATOM 117 CZ3 TRP A 14 3.408 13.269 -18.331 1.00 18.55 C ATOM 118 CH2 TRP A 14 3.704 12.673 -19.561 1.00 19.29 C ATOM 0 H TRP A 14 0.121 13.728 -15.606 1.00 17.96 H new ATOM 0 HA TRP A 14 -1.664 12.196 -17.058 1.00 19.28 H new ATOM 0 HB2 TRP A 14 0.486 11.347 -15.441 1.00 18.61 H new ATOM 0 HB3 TRP A 14 -0.645 10.366 -15.876 1.00 18.61 H new ATOM 0 HD1 TRP A 14 -0.420 9.304 -18.245 1.00 18.27 H new ATOM 0 HE1 TRP A 14 1.079 9.548 -20.106 1.00 20.00 H new ATOM 0 HE3 TRP A 14 2.249 13.145 -16.688 1.00 18.38 H new ATOM 0 HZ2 TRP A 14 3.190 11.193 -20.850 1.00 21.02 H new ATOM 0 HZ3 TRP A 14 3.892 14.014 -18.055 1.00 18.55 H new ATOM 0 HH2 TRP A 14 4.397 13.017 -20.076 1.00 19.29 H new ATOM 119 N ALA A 15 -3.349 12.735 -15.265 1.00 19.63 N ATOM 120 CA ALA A 15 -4.399 12.778 -14.239 1.00 17.33 C ATOM 121 C ALA A 15 -4.559 11.401 -13.588 1.00 18.76 C ATOM 122 O ALA A 15 -4.191 10.336 -14.194 1.00 16.57 O ATOM 123 CB ALA A 15 -5.708 13.196 -14.842 1.00 18.02 C ATOM 0 H ALA A 15 -3.652 12.901 -16.052 1.00 19.63 H new ATOM 0 HA ALA A 15 -4.138 13.426 -13.566 1.00 17.33 H new ATOM 0 HB1 ALA A 15 -6.390 13.219 -14.152 1.00 18.02 H new ATOM 0 HB2 ALA A 15 -5.616 14.078 -15.235 1.00 18.02 H new ATOM 0 HB3 ALA A 15 -5.965 12.561 -15.529 1.00 18.02 H new ATOM 124 N ALA A 16 -4.990 11.447 -12.316 1.00 18.62 N ATOM 125 CA ALA A 16 -5.273 10.259 -11.539 1.00 19.96 C ATOM 126 C ALA A 16 -6.494 10.515 -10.628 1.00 21.04 C ATOM 127 O ALA A 16 -6.677 11.619 -10.106 1.00 21.97 O ATOM 128 CB ALA A 16 -4.076 9.842 -10.746 1.00 16.66 C ATOM 0 H ALA A 16 -5.123 12.181 -11.889 1.00 18.62 H new ATOM 0 HA ALA A 16 -5.485 9.529 -12.141 1.00 19.96 H new ATOM 0 HB1 ALA A 16 -4.288 9.046 -10.234 1.00 16.66 H new ATOM 0 HB2 ALA A 16 -3.339 9.652 -11.348 1.00 16.66 H new ATOM 0 HB3 ALA A 16 -3.823 10.557 -10.141 1.00 16.66 H new ATOM 129 N ALA A 17 -7.304 9.470 -10.432 1.00 21.32 N ATOM 130 CA ALA A 17 -8.482 9.523 -9.562 1.00 22.56 C ATOM 131 C ALA A 17 -8.574 8.164 -8.850 1.00 25.64 C ATOM 132 O ALA A 17 -8.499 7.130 -9.482 1.00 27.20 O ATOM 133 CB ALA A 17 -9.730 9.794 -10.383 1.00 21.02 C ATOM 0 H ALA A 17 -7.183 8.704 -10.804 1.00 21.32 H new ATOM 0 HA ALA A 17 -8.407 10.240 -8.913 1.00 22.56 H new ATOM 0 HB1 ALA A 17 -10.502 9.827 -9.797 1.00 21.02 H new ATOM 0 HB2 ALA A 17 -9.637 10.643 -10.843 1.00 21.02 H new ATOM 0 HB3 ALA A 17 -9.849 9.085 -11.035 1.00 21.02 H new ATOM 134 N SER A 18 -8.745 8.180 -7.535 1.00 26.54 N ATOM 135 CA SER A 18 -8.592 6.981 -6.722 1.00 30.23 C ATOM 136 C SER A 18 -9.285 7.242 -5.387 1.00 30.24 C ATOM 137 O SER A 18 -9.343 8.398 -4.930 1.00 30.20 O ATOM 138 CB SER A 18 -7.094 6.642 -6.536 1.00 30.20 C ATOM 139 OG SER A 18 -6.844 5.649 -5.552 1.00 33.80 O ATOM 0 H SER A 18 -8.953 8.885 -7.089 1.00 26.54 H new ATOM 0 HA SER A 18 -8.997 6.213 -7.155 1.00 30.23 H new ATOM 0 HB2 SER A 18 -6.732 6.342 -7.384 1.00 30.20 H new ATOM 0 HB3 SER A 18 -6.616 7.451 -6.294 1.00 30.20 H new ATOM 0 HG SER A 18 -6.828 4.892 -5.915 1.00 33.80 H new ATOM 140 N LYS A 19 -9.875 6.187 -4.812 1.00 31.74 N ATOM 141 CA LYS A 19 -10.427 6.283 -3.463 1.00 33.79 C ATOM 142 C LYS A 19 -9.541 5.522 -2.492 1.00 36.22 C ATOM 143 O LYS A 19 -9.975 5.171 -1.425 1.00 38.64 O ATOM 144 CB LYS A 19 -11.910 5.922 -3.363 1.00 34.32 C ATOM 145 CG LYS A 19 -12.322 4.499 -3.679 1.00 40.73 C ATOM 146 CD LYS A 19 -13.844 4.390 -3.511 1.00 47.78 C ATOM 147 CE LYS A 19 -14.324 2.959 -3.413 1.00 50.84 C ATOM 148 NZ LYS A 19 -13.493 2.186 -2.432 1.00 55.31 N ATOM 0 H LYS A 19 -9.963 5.417 -5.184 1.00 31.74 H new ATOM 0 HA LYS A 19 -10.417 7.219 -3.208 1.00 33.79 H new ATOM 0 HB2 LYS A 19 -12.204 6.122 -2.460 1.00 34.32 H new ATOM 0 HB3 LYS A 19 -12.399 6.511 -3.958 1.00 34.32 H new ATOM 0 HG2 LYS A 19 -12.064 4.266 -4.585 1.00 40.73 H new ATOM 0 HG3 LYS A 19 -11.871 3.877 -3.087 1.00 40.73 H new ATOM 0 HD2 LYS A 19 -14.112 4.872 -2.713 1.00 47.78 H new ATOM 0 HD3 LYS A 19 -14.280 4.822 -4.263 1.00 47.78 H new ATOM 0 HE2 LYS A 19 -15.254 2.943 -3.139 1.00 50.84 H new ATOM 0 HE3 LYS A 19 -14.278 2.537 -4.285 1.00 50.84 H new ATOM 0 HZ1 LYS A 19 -13.909 1.428 -2.223 1.00 55.31 H new ATOM 0 HZ2 LYS A 19 -12.702 1.999 -2.795 1.00 55.31 H new ATOM 0 HZ3 LYS A 19 -13.374 2.672 -1.696 1.00 55.31 H new ATOM 149 N GLY A 20 -8.280 5.303 -2.870 1.00 34.79 N ATOM 150 CA GLY A 20 -7.291 4.771 -1.970 1.00 35.31 C ATOM 151 C GLY A 20 -7.095 3.290 -2.099 1.00 38.88 C ATOM 152 O GLY A 20 -5.960 2.838 -2.021 1.00 36.18 O ATOM 0 H GLY A 20 -7.985 5.464 -3.662 1.00 34.79 H new ATOM 0 HA2 GLY A 20 -6.445 5.217 -2.132 1.00 35.31 H new ATOM 0 HA3 GLY A 20 -7.550 4.977 -1.058 1.00 35.31 H new ATOM 153 N ASP A 21 -8.186 2.543 -2.299 1.00 37.20 N ATOM 154 CA ASP A 21 -8.123 1.092 -2.413 1.00 39.80 C ATOM 155 C ASP A 21 -8.742 0.636 -3.712 1.00 39.12 C ATOM 156 O ASP A 21 -9.017 -0.524 -3.860 1.00 42.37 O ATOM 157 CB ASP A 21 -8.884 0.455 -1.252 1.00 40.81 C ATOM 158 CG ASP A 21 -10.355 0.886 -1.209 1.00 44.11 C ATOM 159 OD1 ASP A 21 -10.860 1.630 -2.083 1.00 45.54 O ATOM 160 OD2 ASP A 21 -11.032 0.465 -0.280 1.00 51.80 O ATOM 0 H ASP A 21 -8.979 2.867 -2.372 1.00 37.20 H new ATOM 0 HA ASP A 21 -7.192 0.821 -2.391 1.00 39.80 H new ATOM 0 HB2 ASP A 21 -8.835 -0.511 -1.328 1.00 40.81 H new ATOM 0 HB3 ASP A 21 -8.455 0.696 -0.416 1.00 40.81 H new ATOM 161 N ALA A 22 -9.003 1.566 -4.623 1.00 37.37 N ATOM 162 CA ALA A 22 -9.677 1.307 -5.892 1.00 32.21 C ATOM 163 C ALA A 22 -9.561 2.564 -6.746 1.00 32.36 C ATOM 164 O ALA A 22 -9.719 3.717 -6.225 1.00 33.63 O ATOM 165 CB ALA A 22 -11.152 1.002 -5.638 1.00 28.77 C ATOM 0 H ALA A 22 -8.786 2.392 -4.517 1.00 37.37 H new ATOM 0 HA ALA A 22 -9.272 0.548 -6.341 1.00 32.21 H new ATOM 0 HB1 ALA A 22 -11.597 0.830 -6.483 1.00 28.77 H new ATOM 0 HB2 ALA A 22 -11.228 0.220 -5.068 1.00 28.77 H new ATOM 0 HB3 ALA A 22 -11.569 1.761 -5.202 1.00 28.77 H new ATOM 166 N ALA A 23 -9.332 2.361 -8.047 1.00 31.03 N ATOM 167 CA ALA A 23 -9.502 3.435 -9.072 1.00 30.79 C ATOM 168 C ALA A 23 -10.895 4.016 -9.029 1.00 35.20 C ATOM 169 O ALA A 23 -11.851 3.286 -8.743 1.00 36.82 O ATOM 170 CB ALA A 23 -9.296 2.892 -10.456 1.00 28.40 C ATOM 0 H ALA A 23 -9.075 1.607 -8.371 1.00 31.03 H new ATOM 0 HA ALA A 23 -8.843 4.117 -8.868 1.00 30.79 H new ATOM 0 HB1 ALA A 23 -9.411 3.605 -11.104 1.00 28.40 H new ATOM 0 HB2 ALA A 23 -8.400 2.529 -10.531 1.00 28.40 H new ATOM 0 HB3 ALA A 23 -9.944 2.191 -10.629 1.00 28.40 H new ATOM 171 N LEU A 24 -11.016 5.313 -9.309 1.00 29.95 N ATOM 172 CA LEU A 24 -12.289 5.878 -9.699 1.00 27.53 C ATOM 173 C LEU A 24 -12.285 5.933 -11.225 1.00 28.86 C ATOM 174 O LEU A 24 -11.321 6.426 -11.866 1.00 28.56 O ATOM 175 CB LEU A 24 -12.505 7.259 -9.103 1.00 26.80 C ATOM 176 CG LEU A 24 -12.512 7.233 -7.575 1.00 28.54 C ATOM 177 CD1 LEU A 24 -12.397 8.655 -7.097 1.00 26.87 C ATOM 178 CD2 LEU A 24 -13.767 6.535 -7.015 1.00 29.40 C ATOM 0 H LEU A 24 -10.368 5.877 -9.277 1.00 29.95 H new ATOM 0 HA LEU A 24 -13.019 5.332 -9.367 1.00 27.53 H new ATOM 0 HB2 LEU A 24 -11.805 7.856 -9.412 1.00 26.80 H new ATOM 0 HB3 LEU A 24 -13.347 7.620 -9.423 1.00 26.80 H new ATOM 0 HG LEU A 24 -11.762 6.712 -7.249 1.00 28.54 H new ATOM 0 HD11 LEU A 24 -12.399 8.672 -6.127 1.00 26.87 H new ATOM 0 HD12 LEU A 24 -11.570 9.041 -7.425 1.00 26.87 H new ATOM 0 HD13 LEU A 24 -13.148 9.170 -7.430 1.00 26.87 H new ATOM 0 HD21 LEU A 24 -13.734 6.539 -6.046 1.00 29.40 H new ATOM 0 HD22 LEU A 24 -14.560 7.007 -7.313 1.00 29.40 H new ATOM 0 HD23 LEU A 24 -13.797 5.619 -7.333 1.00 29.40 H new ATOM 179 N ASP A 25 -13.355 5.407 -11.810 1.00 27.89 N ATOM 180 CA ASP A 25 -13.493 5.325 -13.245 1.00 28.66 C ATOM 181 C ASP A 25 -12.241 4.579 -13.772 1.00 28.81 C ATOM 182 O ASP A 25 -11.792 3.651 -13.118 1.00 32.23 O ATOM 183 CB ASP A 25 -13.712 6.744 -13.749 1.00 30.59 C ATOM 184 CG ASP A 25 -14.199 6.801 -15.150 1.00 36.46 C ATOM 185 OD1 ASP A 25 -13.407 6.441 -16.038 1.00 39.92 O ATOM 186 OD2 ASP A 25 -15.323 7.304 -15.370 1.00 34.92 O ATOM 0 H ASP A 25 -14.024 5.086 -11.375 1.00 27.89 H new ATOM 0 HA ASP A 25 -14.253 4.817 -13.568 1.00 28.66 H new ATOM 0 HB2 ASP A 25 -14.352 7.190 -13.172 1.00 30.59 H new ATOM 0 HB3 ASP A 25 -12.879 7.236 -13.683 1.00 30.59 H new ATOM 187 N ALA A 26 -11.652 4.999 -14.888 1.00 29.60 N ATOM 188 CA ALA A 26 -10.462 4.373 -15.459 1.00 29.32 C ATOM 189 C ALA A 26 -9.226 4.505 -14.537 1.00 31.39 C ATOM 190 O ALA A 26 -8.265 3.721 -14.649 1.00 34.78 O ATOM 191 CB ALA A 26 -10.179 4.950 -16.848 1.00 24.92 C ATOM 0 H ALA A 26 -11.939 5.669 -15.344 1.00 29.60 H new ATOM 0 HA ALA A 26 -10.642 3.424 -15.543 1.00 29.32 H new ATOM 0 HB1 ALA A 26 -9.388 4.529 -17.219 1.00 24.92 H new ATOM 0 HB2 ALA A 26 -10.937 4.781 -17.429 1.00 24.92 H new ATOM 0 HB3 ALA A 26 -10.033 5.906 -16.778 1.00 24.92 H new ATOM 192 N GLY A 27 -9.238 5.494 -13.645 1.00 30.41 N ATOM 193 CA GLY A 27 -8.172 5.653 -12.647 1.00 27.55 C ATOM 194 C GLY A 27 -6.985 6.489 -13.060 1.00 28.51 C ATOM 195 O GLY A 27 -6.228 6.892 -12.184 1.00 30.37 O ATOM 0 H GLY A 27 -9.857 6.089 -13.598 1.00 30.41 H new ATOM 0 HA2 GLY A 27 -8.559 6.047 -11.849 1.00 27.55 H new ATOM 0 HA3 GLY A 27 -7.852 4.771 -12.401 1.00 27.55 H new ATOM 196 N GLY A 28 -6.799 6.745 -14.369 1.00 26.71 N ATOM 197 CA GLY A 28 -5.687 7.581 -14.842 1.00 24.32 C ATOM 198 C GLY A 28 -5.637 7.757 -16.350 1.00 28.31 C ATOM 199 O GLY A 28 -5.985 6.873 -17.079 1.00 27.00 O ATOM 0 H GLY A 28 -7.307 6.443 -14.994 1.00 26.71 H new ATOM 0 HA2 GLY A 28 -5.753 8.455 -14.427 1.00 24.32 H new ATOM 0 HA3 GLY A 28 -4.851 7.188 -14.545 1.00 24.32 H new ATOM 200 N ARG A 29 -5.188 8.904 -16.826 1.00 27.47 N ATOM 201 CA ARG A 29 -5.138 9.153 -18.242 1.00 28.45 C ATOM 202 C ARG A 29 -4.127 10.206 -18.524 1.00 26.94 C ATOM 203 O ARG A 29 -3.964 11.109 -17.718 1.00 27.65 O ATOM 204 CB ARG A 29 -6.451 9.703 -18.715 1.00 29.40 C ATOM 205 CG ARG A 29 -6.868 8.933 -19.942 1.00 33.78 C ATOM 206 CD ARG A 29 -7.958 9.712 -20.644 1.00 34.64 C ATOM 207 NE ARG A 29 -7.324 10.848 -21.304 1.00 31.71 N ATOM 208 CZ ARG A 29 -7.994 11.751 -22.023 1.00 31.10 C ATOM 209 NH1 ARG A 29 -9.296 11.612 -22.179 1.00 26.17 N ATOM 210 NH2 ARG A 29 -7.368 12.767 -22.606 1.00 25.81 N ATOM 0 H ARG A 29 -4.906 9.553 -16.337 1.00 27.47 H new ATOM 0 HA ARG A 29 -4.925 8.317 -18.686 1.00 28.45 H new ATOM 0 HB2 ARG A 29 -7.122 9.621 -18.020 1.00 29.40 H new ATOM 0 HB3 ARG A 29 -6.368 10.647 -18.920 1.00 29.40 H new ATOM 0 HG2 ARG A 29 -6.110 8.804 -20.534 1.00 33.78 H new ATOM 0 HG3 ARG A 29 -7.188 8.051 -19.695 1.00 33.78 H new ATOM 0 HD2 ARG A 29 -8.416 9.153 -21.291 1.00 34.64 H new ATOM 0 HD3 ARG A 29 -8.625 10.015 -20.008 1.00 34.64 H new ATOM 0 HE ARG A 29 -6.473 10.941 -21.226 1.00 31.71 H new ATOM 0 HH11 ARG A 29 -9.703 10.945 -21.819 1.00 26.17 H new ATOM 0 HH12 ARG A 29 -9.738 12.188 -22.640 1.00 26.17 H new ATOM 0 HH21 ARG A 29 -6.516 12.852 -22.524 1.00 25.81 H new ATOM 0 HH22 ARG A 29 -7.815 13.340 -23.066 1.00 25.81 H new ATOM 211 N GLN A 30 -3.436 10.083 -19.650 1.00 23.26 N ATOM 212 CA GLN A 30 -2.669 11.202 -20.169 1.00 23.58 C ATOM 213 C GLN A 30 -3.586 12.409 -20.592 1.00 21.49 C ATOM 214 O GLN A 30 -4.595 12.222 -21.255 1.00 20.40 O ATOM 215 CB GLN A 30 -1.783 10.717 -21.316 1.00 22.34 C ATOM 216 CG GLN A 30 -0.955 11.823 -21.893 1.00 26.18 C ATOM 217 CD GLN A 30 -0.024 11.357 -23.008 1.00 29.32 C ATOM 218 OE1 GLN A 30 0.282 10.192 -23.146 1.00 29.27 O ATOM 219 NE2 GLN A 30 0.434 12.290 -23.796 1.00 31.89 N ATOM 0 H GLN A 30 -3.399 9.366 -20.124 1.00 23.26 H new ATOM 0 HA GLN A 30 -2.101 11.545 -19.461 1.00 23.58 H new ATOM 0 HB2 GLN A 30 -1.200 10.011 -20.997 1.00 22.34 H new ATOM 0 HB3 GLN A 30 -2.338 10.333 -22.012 1.00 22.34 H new ATOM 0 HG2 GLN A 30 -1.543 12.513 -22.238 1.00 26.18 H new ATOM 0 HG3 GLN A 30 -0.427 12.227 -21.186 1.00 26.18 H new ATOM 0 HE21 GLN A 30 0.200 13.109 -23.675 1.00 31.89 H new ATOM 0 HE22 GLN A 30 0.970 12.087 -24.437 1.00 31.89 H new ATOM 220 N LEU A 31 -3.251 13.614 -20.161 1.00 18.74 N ATOM 221 CA LEU A 31 -3.922 14.804 -20.648 1.00 19.83 C ATOM 222 C LEU A 31 -2.891 15.771 -21.152 1.00 18.97 C ATOM 223 O LEU A 31 -2.193 16.406 -20.366 1.00 18.02 O ATOM 224 CB LEU A 31 -4.758 15.556 -19.581 1.00 19.41 C ATOM 225 CG LEU A 31 -5.907 14.914 -18.826 1.00 21.17 C ATOM 226 CD1 LEU A 31 -6.617 15.960 -17.949 1.00 18.73 C ATOM 227 CD2 LEU A 31 -6.846 14.444 -19.881 1.00 23.59 C ATOM 0 H LEU A 31 -2.633 13.764 -19.582 1.00 18.74 H new ATOM 0 HA LEU A 31 -4.532 14.495 -21.336 1.00 19.83 H new ATOM 0 HB2 LEU A 31 -4.131 15.870 -18.911 1.00 19.41 H new ATOM 0 HB3 LEU A 31 -5.122 16.341 -20.020 1.00 19.41 H new ATOM 0 HG LEU A 31 -5.602 14.198 -18.247 1.00 21.17 H new ATOM 0 HD11 LEU A 31 -7.349 15.539 -17.471 1.00 18.73 H new ATOM 0 HD12 LEU A 31 -5.986 16.330 -17.312 1.00 18.73 H new ATOM 0 HD13 LEU A 31 -6.964 16.671 -18.510 1.00 18.73 H new ATOM 0 HD21 LEU A 31 -7.613 14.019 -19.466 1.00 23.59 H new ATOM 0 HD22 LEU A 31 -7.144 15.201 -20.410 1.00 23.59 H new ATOM 0 HD23 LEU A 31 -6.394 13.806 -20.456 1.00 23.59 H new ATOM 228 N ASN A 32 -2.861 15.937 -22.462 1.00 19.29 N ATOM 229 CA ASN A 32 -2.067 16.999 -23.082 1.00 22.57 C ATOM 230 C ASN A 32 -2.630 18.340 -22.763 1.00 21.02 C ATOM 231 O ASN A 32 -3.774 18.438 -22.348 1.00 23.86 O ATOM 232 CB ASN A 32 -2.023 16.762 -24.593 1.00 23.13 C ATOM 233 CG ASN A 32 -1.300 15.452 -24.909 1.00 30.38 C ATOM 234 OD1 ASN A 32 -1.729 14.675 -25.725 1.00 37.77 O ATOM 235 ND2 ASN A 32 -0.239 15.187 -24.202 1.00 29.21 N ATOM 0 H ASN A 32 -3.294 15.445 -23.019 1.00 19.29 H new ATOM 0 HA ASN A 32 -1.164 16.979 -22.728 1.00 22.57 H new ATOM 0 HB2 ASN A 32 -2.925 16.733 -24.948 1.00 23.13 H new ATOM 0 HB3 ASN A 32 -1.570 17.501 -25.029 1.00 23.13 H new ATOM 0 HD21 ASN A 32 0.175 14.441 -24.311 1.00 29.21 H new ATOM 0 HD22 ASN A 32 0.047 15.758 -23.626 1.00 29.21 H new ATOM 236 N SER A 33 -1.860 19.378 -22.989 1.00 19.91 N ATOM 237 CA SER A 33 -2.342 20.733 -22.828 1.00 18.63 C ATOM 238 C SER A 33 -3.695 21.039 -23.534 1.00 19.85 C ATOM 239 O SER A 33 -3.774 21.095 -24.782 1.00 21.04 O ATOM 240 CB SER A 33 -1.254 21.715 -23.317 1.00 17.96 C ATOM 241 OG SER A 33 -1.726 23.015 -23.093 1.00 17.12 O ATOM 0 H SER A 33 -1.040 19.321 -23.241 1.00 19.91 H new ATOM 0 HA SER A 33 -2.522 20.845 -21.882 1.00 18.63 H new ATOM 0 HB2 SER A 33 -0.422 21.567 -22.840 1.00 17.96 H new ATOM 0 HB3 SER A 33 -1.069 21.577 -24.259 1.00 17.96 H new ATOM 0 HG SER A 33 -1.599 23.225 -22.290 1.00 17.12 H new ATOM 242 N GLY A 34 -4.728 21.281 -22.737 1.00 18.64 N ATOM 243 CA GLY A 34 -6.035 21.685 -23.240 1.00 18.98 C ATOM 244 C GLY A 34 -7.083 20.576 -23.165 1.00 21.12 C ATOM 245 O GLY A 34 -8.295 20.870 -23.181 1.00 22.24 O ATOM 0 H GLY A 34 -4.690 21.215 -21.880 1.00 18.64 H new ATOM 0 HA2 GLY A 34 -6.347 22.451 -22.732 1.00 18.98 H new ATOM 0 HA3 GLY A 34 -5.944 21.973 -24.162 1.00 18.98 H new ATOM 246 N GLU A 35 -6.608 19.316 -23.092 1.00 18.61 N ATOM 247 CA GLU A 35 -7.466 18.162 -22.958 1.00 21.42 C ATOM 248 C GLU A 35 -8.250 18.109 -21.609 1.00 22.54 C ATOM 249 O GLU A 35 -7.773 18.588 -20.554 1.00 26.10 O ATOM 250 CB GLU A 35 -6.708 16.842 -23.220 1.00 21.69 C ATOM 251 CG GLU A 35 -6.073 16.741 -24.603 1.00 22.85 C ATOM 252 CD GLU A 35 -5.482 15.368 -24.857 1.00 27.41 C ATOM 253 OE1 GLU A 35 -4.852 14.755 -23.989 1.00 25.81 O ATOM 254 OE2 GLU A 35 -5.703 14.862 -25.951 1.00 33.83 O ATOM 0 H GLU A 35 -5.770 19.125 -23.121 1.00 18.61 H new ATOM 0 HA GLU A 35 -8.137 18.265 -23.651 1.00 21.42 H new ATOM 0 HB2 GLU A 35 -6.014 16.742 -22.550 1.00 21.69 H new ATOM 0 HB3 GLU A 35 -7.323 16.101 -23.104 1.00 21.69 H new ATOM 0 HG2 GLU A 35 -6.740 16.935 -25.280 1.00 22.85 H new ATOM 0 HG3 GLU A 35 -5.378 17.412 -24.689 1.00 22.85 H new ATOM 255 N SER A 36 -9.444 17.541 -21.705 1.00 20.91 N ATOM 256 CA SER A 36 -10.447 17.378 -20.643 1.00 23.67 C ATOM 257 C SER A 36 -10.779 15.882 -20.542 1.00 25.02 C ATOM 258 O SER A 36 -10.866 15.210 -21.522 1.00 23.81 O ATOM 259 CB SER A 36 -11.739 18.096 -21.005 1.00 21.57 C ATOM 260 OG SER A 36 -11.513 19.465 -21.339 1.00 21.40 O ATOM 0 H SER A 36 -9.717 17.212 -22.451 1.00 20.91 H new ATOM 0 HA SER A 36 -10.093 17.740 -19.816 1.00 23.67 H new ATOM 0 HB2 SER A 36 -12.159 17.646 -21.754 1.00 21.57 H new ATOM 0 HB3 SER A 36 -12.357 18.043 -20.260 1.00 21.57 H new ATOM 0 HG SER A 36 -11.840 19.627 -22.096 1.00 21.40 H new ATOM 261 N TRP A 37 -10.982 15.365 -19.364 1.00 24.55 N ATOM 262 CA TRP A 37 -11.302 14.012 -19.242 1.00 24.07 C ATOM 263 C TRP A 37 -12.489 14.020 -18.293 1.00 25.36 C ATOM 264 O TRP A 37 -12.424 14.589 -17.210 1.00 25.35 O ATOM 265 CB TRP A 37 -10.079 13.306 -18.698 1.00 25.03 C ATOM 266 CG TRP A 37 -10.275 11.893 -18.344 1.00 26.67 C ATOM 267 CD1 TRP A 37 -10.989 10.951 -19.042 1.00 23.93 C ATOM 268 CD2 TRP A 37 -9.692 11.212 -17.199 1.00 26.75 C ATOM 269 NE1 TRP A 37 -10.903 9.743 -18.382 1.00 26.99 N ATOM 270 CE2 TRP A 37 -10.120 9.864 -17.262 1.00 26.51 C ATOM 271 CE3 TRP A 37 -8.860 11.622 -16.140 1.00 26.28 C ATOM 272 CZ2 TRP A 37 -9.757 8.907 -16.298 1.00 29.39 C ATOM 273 CZ3 TRP A 37 -8.482 10.671 -15.157 1.00 29.37 C ATOM 274 CH2 TRP A 37 -8.943 9.333 -15.238 1.00 30.54 C ATOM 0 H TRP A 37 -10.935 15.799 -18.623 1.00 24.55 H new ATOM 0 HA TRP A 37 -11.536 13.548 -20.061 1.00 24.07 H new ATOM 0 HB2 TRP A 37 -9.370 13.364 -19.358 1.00 25.03 H new ATOM 0 HB3 TRP A 37 -9.773 13.782 -17.910 1.00 25.03 H new ATOM 0 HD1 TRP A 37 -11.455 11.103 -19.832 1.00 23.93 H new ATOM 0 HE1 TRP A 37 -11.286 9.016 -18.637 1.00 26.99 H new ATOM 0 HE3 TRP A 37 -8.563 12.502 -16.086 1.00 26.28 H new ATOM 0 HZ2 TRP A 37 -10.046 8.025 -16.361 1.00 29.39 H new ATOM 0 HZ3 TRP A 37 -7.928 10.927 -14.455 1.00 29.37 H new ATOM 0 HH2 TRP A 37 -8.701 8.726 -14.576 1.00 30.54 H new ATOM 275 N THR A 38 -13.596 13.479 -18.755 1.00 24.85 N ATOM 276 CA THR A 38 -14.790 13.431 -17.961 1.00 28.93 C ATOM 277 C THR A 38 -14.881 12.061 -17.344 1.00 29.96 C ATOM 278 O THR A 38 -14.819 11.051 -18.043 1.00 31.00 O ATOM 279 CB THR A 38 -16.044 13.643 -18.809 1.00 30.68 C ATOM 280 OG1 THR A 38 -15.869 14.828 -19.539 1.00 34.62 O ATOM 281 CG2 THR A 38 -17.264 13.930 -17.905 1.00 33.92 C ATOM 0 H THR A 38 -13.673 13.131 -19.538 1.00 24.85 H new ATOM 0 HA THR A 38 -14.744 14.135 -17.295 1.00 28.93 H new ATOM 0 HB THR A 38 -16.182 12.854 -19.357 1.00 30.68 H new ATOM 0 HG1 THR A 38 -16.547 14.966 -20.016 1.00 34.62 H new ATOM 0 HG21 THR A 38 -18.051 14.062 -18.456 1.00 33.92 H new ATOM 0 HG22 THR A 38 -17.409 13.179 -17.309 1.00 33.92 H new ATOM 0 HG23 THR A 38 -17.098 14.730 -17.382 1.00 33.92 H new ATOM 282 N ILE A 39 -15.013 12.023 -16.032 1.00 29.59 N ATOM 283 CA ILE A 39 -15.169 10.765 -15.381 1.00 28.99 C ATOM 284 C ILE A 39 -16.443 10.717 -14.562 1.00 29.44 C ATOM 285 O ILE A 39 -16.952 11.754 -14.107 1.00 31.62 O ATOM 286 CB ILE A 39 -13.956 10.424 -14.494 1.00 31.85 C ATOM 287 CG1 ILE A 39 -13.820 11.464 -13.380 1.00 28.14 C ATOM 288 CG2 ILE A 39 -12.731 10.198 -15.380 1.00 31.72 C ATOM 289 CD1 ILE A 39 -13.000 11.004 -12.198 1.00 33.25 C ATOM 0 H ILE A 39 -15.014 12.710 -15.515 1.00 29.59 H new ATOM 0 HA ILE A 39 -15.228 10.096 -16.081 1.00 28.99 H new ATOM 0 HB ILE A 39 -14.071 9.586 -14.019 1.00 31.85 H new ATOM 0 HG12 ILE A 39 -13.417 12.266 -13.748 1.00 28.14 H new ATOM 0 HG13 ILE A 39 -14.706 11.709 -13.070 1.00 28.14 H new ATOM 0 HG21 ILE A 39 -11.965 9.983 -14.825 1.00 31.72 H new ATOM 0 HG22 ILE A 39 -12.904 9.464 -15.990 1.00 31.72 H new ATOM 0 HG23 ILE A 39 -12.546 11.003 -15.888 1.00 31.72 H new ATOM 0 HD11 ILE A 39 -12.959 11.713 -11.537 1.00 33.25 H new ATOM 0 HD12 ILE A 39 -13.412 10.219 -11.804 1.00 33.25 H new ATOM 0 HD13 ILE A 39 -12.102 10.785 -12.492 1.00 33.25 H new ATOM 290 N ASN A 40 -16.910 9.486 -14.337 1.00 30.16 N ATOM 291 CA ASN A 40 -18.033 9.232 -13.457 1.00 34.41 C ATOM 292 C ASN A 40 -17.649 8.625 -12.134 1.00 31.42 C ATOM 293 O ASN A 40 -16.935 7.651 -12.116 1.00 26.46 O ATOM 294 CB ASN A 40 -19.002 8.291 -14.136 1.00 43.24 C ATOM 295 CG ASN A 40 -20.260 8.997 -14.484 1.00 57.09 C ATOM 296 OD1 ASN A 40 -20.322 9.705 -15.499 1.00 58.17 O ATOM 297 ND2 ASN A 40 -21.256 8.899 -13.590 1.00 61.94 N ATOM 0 H ASN A 40 -16.578 8.778 -14.695 1.00 30.16 H new ATOM 0 HA ASN A 40 -18.429 10.099 -13.276 1.00 34.41 H new ATOM 0 HB2 ASN A 40 -18.597 7.926 -14.939 1.00 43.24 H new ATOM 0 HB3 ASN A 40 -19.197 7.542 -13.551 1.00 43.24 H new ATOM 0 HD21 ASN A 40 -21.984 9.341 -13.707 1.00 61.94 H new ATOM 0 HD22 ASN A 40 -21.166 8.394 -12.900 1.00 61.94 H new ATOM 298 N VAL A 41 -18.144 9.199 -11.040 1.00 30.86 N ATOM 299 CA VAL A 41 -17.836 8.721 -9.703 1.00 30.83 C ATOM 300 C VAL A 41 -19.167 8.336 -9.068 1.00 31.43 C ATOM 301 O VAL A 41 -20.114 9.141 -9.083 1.00 32.38 O ATOM 302 CB VAL A 41 -17.130 9.817 -8.885 1.00 28.99 C ATOM 303 CG1 VAL A 41 -16.938 9.354 -7.444 1.00 28.67 C ATOM 304 CG2 VAL A 41 -15.795 10.168 -9.546 1.00 26.68 C ATOM 0 H VAL A 41 -18.670 9.879 -11.057 1.00 30.86 H new ATOM 0 HA VAL A 41 -17.233 7.962 -9.730 1.00 30.83 H new ATOM 0 HB VAL A 41 -17.679 10.617 -8.866 1.00 28.99 H new ATOM 0 HG11 VAL A 41 -16.493 10.051 -6.937 1.00 28.67 H new ATOM 0 HG12 VAL A 41 -17.803 9.167 -7.046 1.00 28.67 H new ATOM 0 HG13 VAL A 41 -16.396 8.549 -7.432 1.00 28.67 H new ATOM 0 HG21 VAL A 41 -15.350 10.859 -9.030 1.00 26.68 H new ATOM 0 HG22 VAL A 41 -15.233 9.378 -9.580 1.00 26.68 H new ATOM 0 HG23 VAL A 41 -15.955 10.490 -10.447 1.00 26.68 H new ATOM 305 N GLU A 42 -19.226 7.099 -8.570 1.00 36.66 N ATOM 306 CA GLU A 42 -20.357 6.499 -7.837 1.00 35.52 C ATOM 307 C GLU A 42 -20.862 7.466 -6.760 1.00 35.22 C ATOM 308 O GLU A 42 -20.047 7.962 -5.944 1.00 33.99 O ATOM 309 CB GLU A 42 -19.818 5.263 -7.141 1.00 45.14 C ATOM 310 CG GLU A 42 -20.010 3.960 -7.870 1.00 58.99 C ATOM 311 CD GLU A 42 -21.217 3.220 -7.302 1.00 74.73 C ATOM 312 OE1 GLU A 42 -21.127 2.693 -6.162 1.00 79.14 O ATOM 313 OE2 GLU A 42 -22.265 3.181 -7.983 1.00 80.18 O ATOM 0 H GLU A 42 -18.569 6.551 -8.654 1.00 36.66 H new ATOM 0 HA GLU A 42 -21.084 6.295 -8.446 1.00 35.52 H new ATOM 0 HB2 GLU A 42 -18.869 5.389 -6.985 1.00 45.14 H new ATOM 0 HB3 GLU A 42 -20.242 5.192 -6.271 1.00 45.14 H new ATOM 0 HG2 GLU A 42 -20.139 4.126 -8.817 1.00 58.99 H new ATOM 0 HG3 GLU A 42 -19.214 3.412 -7.784 1.00 58.99 H new ATOM 314 N PRO A 43 -22.183 7.752 -6.722 1.00 32.05 N ATOM 315 CA PRO A 43 -22.630 8.518 -5.522 1.00 31.07 C ATOM 316 C PRO A 43 -22.254 7.791 -4.200 1.00 33.89 C ATOM 317 O PRO A 43 -22.152 6.536 -4.169 1.00 27.20 O ATOM 318 CB PRO A 43 -24.167 8.572 -5.679 1.00 31.53 C ATOM 319 CG PRO A 43 -24.395 8.317 -7.160 1.00 35.12 C ATOM 320 CD PRO A 43 -23.317 7.333 -7.563 1.00 30.98 C ATOM 0 HA PRO A 43 -22.212 9.392 -5.471 1.00 31.07 H new ATOM 0 HB2 PRO A 43 -24.604 7.901 -5.132 1.00 31.53 H new ATOM 0 HB3 PRO A 43 -24.522 9.433 -5.408 1.00 31.53 H new ATOM 0 HG2 PRO A 43 -25.280 7.953 -7.321 1.00 35.12 H new ATOM 0 HG3 PRO A 43 -24.329 9.139 -7.671 1.00 35.12 H new ATOM 0 HD2 PRO A 43 -23.579 6.416 -7.387 1.00 30.98 H new ATOM 0 HD3 PRO A 43 -23.108 7.392 -8.508 1.00 30.98 H new ATOM 321 N GLY A 44 -22.053 8.564 -3.123 1.00 32.96 N ATOM 322 CA GLY A 44 -21.705 7.990 -1.857 1.00 32.77 C ATOM 323 C GLY A 44 -20.215 7.696 -1.727 1.00 37.60 C ATOM 324 O GLY A 44 -19.797 7.142 -0.709 1.00 39.95 O ATOM 0 H GLY A 44 -22.118 9.422 -3.123 1.00 32.96 H new ATOM 0 HA2 GLY A 44 -21.973 8.595 -1.148 1.00 32.77 H new ATOM 0 HA3 GLY A 44 -22.204 7.168 -1.732 1.00 32.77 H new ATOM 325 N THR A 45 -19.409 8.055 -2.731 1.00 33.76 N ATOM 326 CA THR A 45 -17.956 7.924 -2.624 1.00 31.62 C ATOM 327 C THR A 45 -17.405 8.791 -1.512 1.00 31.22 C ATOM 328 O THR A 45 -17.638 10.028 -1.427 1.00 32.36 O ATOM 329 CB THR A 45 -17.219 8.195 -3.944 1.00 30.22 C ATOM 330 OG1 THR A 45 -17.656 7.216 -4.871 1.00 33.58 O ATOM 331 CG2 THR A 45 -15.672 8.046 -3.772 1.00 29.78 C ATOM 0 H THR A 45 -19.685 8.376 -3.480 1.00 33.76 H new ATOM 0 HA THR A 45 -17.790 6.994 -2.404 1.00 31.62 H new ATOM 0 HB THR A 45 -17.408 9.099 -4.240 1.00 30.22 H new ATOM 0 HG1 THR A 45 -18.394 7.449 -5.198 1.00 33.58 H new ATOM 0 HG21 THR A 45 -15.234 8.222 -4.619 1.00 29.78 H new ATOM 0 HG22 THR A 45 -15.358 8.679 -3.108 1.00 29.78 H new ATOM 0 HG23 THR A 45 -15.464 7.144 -3.482 1.00 29.78 H new ATOM 332 N ASN A 46 -16.718 8.078 -0.636 1.00 32.59 N ATOM 333 CA ASN A 46 -16.099 8.631 0.511 1.00 35.42 C ATOM 334 C ASN A 46 -14.582 8.708 0.361 1.00 32.61 C ATOM 335 O ASN A 46 -13.984 7.709 -0.004 1.00 33.14 O ATOM 336 CB ASN A 46 -16.418 7.717 1.648 1.00 42.17 C ATOM 337 CG ASN A 46 -16.794 8.479 2.848 1.00 53.80 C ATOM 338 OD1 ASN A 46 -17.959 8.480 3.230 1.00 82.37 O ATOM 339 ND2 ASN A 46 -15.837 9.214 3.421 1.00 55.27 N ATOM 0 H ASN A 46 -16.605 7.229 -0.710 1.00 32.59 H new ATOM 0 HA ASN A 46 -16.424 9.534 0.650 1.00 35.42 H new ATOM 0 HB2 ASN A 46 -17.143 7.124 1.397 1.00 42.17 H new ATOM 0 HB3 ASN A 46 -15.650 7.158 1.843 1.00 42.17 H new ATOM 0 HD21 ASN A 46 -16.026 9.719 4.091 1.00 55.27 H new ATOM 0 HD22 ASN A 46 -15.032 9.182 3.120 1.00 55.27 H new ATOM 340 N GLY A 47 -13.958 9.864 0.615 1.00 31.45 N ATOM 341 CA GLY A 47 -12.469 9.940 0.544 1.00 26.85 C ATOM 342 C GLY A 47 -11.883 9.737 -0.874 1.00 30.06 C ATOM 343 O GLY A 47 -10.818 9.089 -1.053 1.00 30.07 O ATOM 0 H GLY A 47 -14.352 10.599 0.824 1.00 31.45 H new ATOM 0 HA2 GLY A 47 -12.184 10.805 0.879 1.00 26.85 H new ATOM 0 HA3 GLY A 47 -12.094 9.269 1.136 1.00 26.85 H new ATOM 344 N GLY A 48 -12.558 10.298 -1.895 1.00 27.83 N ATOM 345 CA GLY A 48 -12.028 10.298 -3.238 1.00 24.90 C ATOM 346 C GLY A 48 -10.929 11.356 -3.389 1.00 27.76 C ATOM 347 O GLY A 48 -10.928 12.422 -2.710 1.00 25.54 O ATOM 0 H GLY A 48 -13.324 10.680 -1.814 1.00 27.83 H new ATOM 0 HA2 GLY A 48 -11.670 9.421 -3.449 1.00 24.90 H new ATOM 0 HA3 GLY A 48 -12.741 10.473 -3.872 1.00 24.90 H new ATOM 348 N LYS A 49 -9.958 11.067 -4.250 1.00 24.21 N ATOM 349 CA LYS A 49 -8.939 12.083 -4.523 1.00 21.58 C ATOM 350 C LYS A 49 -8.607 12.165 -5.996 1.00 19.90 C ATOM 351 O LYS A 49 -8.515 11.143 -6.672 1.00 19.95 O ATOM 352 CB LYS A 49 -7.673 11.846 -3.706 1.00 20.64 C ATOM 353 CG LYS A 49 -7.861 11.899 -2.177 1.00 20.36 C ATOM 354 CD LYS A 49 -6.531 11.612 -1.505 1.00 19.02 C ATOM 355 CE LYS A 49 -6.717 11.244 -0.053 1.00 18.93 C ATOM 356 NZ LYS A 49 -7.224 12.395 0.652 1.00 17.39 N ATOM 0 H LYS A 49 -9.869 10.323 -4.672 1.00 24.21 H new ATOM 0 HA LYS A 49 -9.318 12.934 -4.253 1.00 21.58 H new ATOM 0 HB2 LYS A 49 -7.310 10.978 -3.943 1.00 20.64 H new ATOM 0 HB3 LYS A 49 -7.012 12.509 -3.960 1.00 20.64 H new ATOM 0 HG2 LYS A 49 -8.190 12.772 -1.910 1.00 20.36 H new ATOM 0 HG3 LYS A 49 -8.524 11.248 -1.898 1.00 20.36 H new ATOM 0 HD2 LYS A 49 -6.082 10.888 -1.969 1.00 19.02 H new ATOM 0 HD3 LYS A 49 -5.958 12.392 -1.572 1.00 19.02 H new ATOM 0 HE2 LYS A 49 -7.334 10.500 0.029 1.00 18.93 H new ATOM 0 HE3 LYS A 49 -5.874 10.958 0.332 1.00 18.93 H new ATOM 0 HZ1 LYS A 49 -7.082 12.295 1.525 1.00 17.39 H new ATOM 0 HZ2 LYS A 49 -6.806 13.127 0.366 1.00 17.39 H new ATOM 0 HZ3 LYS A 49 -8.098 12.475 0.501 1.00 17.39 H new ATOM 357 N ILE A 50 -8.385 13.386 -6.466 1.00 19.37 N ATOM 358 CA ILE A 50 -7.914 13.609 -7.823 1.00 20.13 C ATOM 359 C ILE A 50 -6.618 14.405 -7.744 1.00 20.91 C ATOM 360 O ILE A 50 -6.488 15.272 -6.843 1.00 19.75 O ATOM 361 CB ILE A 50 -8.974 14.313 -8.653 1.00 19.50 C ATOM 362 CG1 ILE A 50 -10.021 13.281 -9.078 1.00 20.81 C ATOM 363 CG2 ILE A 50 -8.407 15.066 -9.906 1.00 16.97 C ATOM 364 CD1 ILE A 50 -11.299 13.984 -9.575 1.00 22.38 C ATOM 0 H ILE A 50 -8.503 14.105 -6.009 1.00 19.37 H new ATOM 0 HA ILE A 50 -7.741 12.765 -8.268 1.00 20.13 H new ATOM 0 HB ILE A 50 -9.368 15.003 -8.096 1.00 19.50 H new ATOM 0 HG12 ILE A 50 -9.661 12.717 -9.781 1.00 20.81 H new ATOM 0 HG13 ILE A 50 -10.234 12.701 -8.330 1.00 20.81 H new ATOM 0 HG21 ILE A 50 -9.136 15.490 -10.386 1.00 16.97 H new ATOM 0 HG22 ILE A 50 -7.774 15.742 -9.618 1.00 16.97 H new ATOM 0 HG23 ILE A 50 -7.961 14.433 -10.490 1.00 16.97 H new ATOM 0 HD11 ILE A 50 -11.952 13.318 -9.841 1.00 22.38 H new ATOM 0 HD12 ILE A 50 -11.666 14.530 -8.862 1.00 22.38 H new ATOM 0 HD13 ILE A 50 -11.084 14.547 -10.335 1.00 22.38 H new ATOM 365 N TRP A 51 -5.650 14.047 -8.601 1.00 17.84 N ATOM 366 CA TRP A 51 -4.366 14.778 -8.646 1.00 19.16 C ATOM 367 C TRP A 51 -3.714 14.658 -10.037 1.00 18.58 C ATOM 368 O TRP A 51 -4.171 13.868 -10.870 1.00 20.29 O ATOM 369 CB TRP A 51 -3.384 14.290 -7.570 1.00 17.74 C ATOM 370 CG TRP A 51 -2.816 12.847 -7.745 1.00 19.56 C ATOM 371 CD1 TRP A 51 -1.553 12.494 -8.199 1.00 17.46 C ATOM 372 CD2 TRP A 51 -3.481 11.581 -7.380 1.00 19.71 C ATOM 373 NE1 TRP A 51 -1.414 11.103 -8.151 1.00 19.83 N ATOM 374 CE2 TRP A 51 -2.564 10.529 -7.659 1.00 19.78 C ATOM 375 CE3 TRP A 51 -4.754 11.259 -6.869 1.00 18.90 C ATOM 376 CZ2 TRP A 51 -2.894 9.179 -7.478 1.00 18.82 C ATOM 377 CZ3 TRP A 51 -5.078 9.932 -6.675 1.00 18.98 C ATOM 378 CH2 TRP A 51 -4.147 8.902 -6.976 1.00 19.72 C ATOM 0 H TRP A 51 -5.712 13.394 -9.158 1.00 17.84 H new ATOM 0 HA TRP A 51 -4.569 15.709 -8.466 1.00 19.16 H new ATOM 0 HB2 TRP A 51 -2.637 14.908 -7.539 1.00 17.74 H new ATOM 0 HB3 TRP A 51 -3.829 14.338 -6.709 1.00 17.74 H new ATOM 0 HD1 TRP A 51 -0.901 13.090 -8.490 1.00 17.46 H new ATOM 0 HE1 TRP A 51 -0.712 10.669 -8.394 1.00 19.83 H new ATOM 0 HE3 TRP A 51 -5.365 11.930 -6.666 1.00 18.90 H new ATOM 0 HZ2 TRP A 51 -2.294 8.500 -7.687 1.00 18.82 H new ATOM 0 HZ3 TRP A 51 -5.917 9.709 -6.343 1.00 18.98 H new ATOM 0 HH2 TRP A 51 -4.390 8.016 -6.830 1.00 19.72 H new ATOM 379 N ALA A 52 -2.620 15.380 -10.236 1.00 16.82 N ATOM 380 CA ALA A 52 -1.843 15.332 -11.482 1.00 16.52 C ATOM 381 C ALA A 52 -0.501 14.724 -11.194 1.00 17.02 C ATOM 382 O ALA A 52 0.030 14.874 -10.082 1.00 16.82 O ATOM 383 CB ALA A 52 -1.655 16.741 -12.032 1.00 16.27 C ATOM 0 H ALA A 52 -2.299 15.920 -9.649 1.00 16.82 H new ATOM 0 HA ALA A 52 -2.316 14.798 -12.139 1.00 16.52 H new ATOM 0 HB1 ALA A 52 -1.142 16.702 -12.854 1.00 16.27 H new ATOM 0 HB2 ALA A 52 -2.522 17.137 -12.211 1.00 16.27 H new ATOM 0 HB3 ALA A 52 -1.181 17.282 -11.381 1.00 16.27 H new ATOM 384 N ARG A 53 0.043 14.027 -12.186 1.00 18.43 N ATOM 385 CA ARG A 53 1.405 13.487 -12.146 1.00 17.19 C ATOM 386 C ARG A 53 2.190 14.108 -13.275 1.00 18.16 C ATOM 387 O ARG A 53 1.649 14.351 -14.346 1.00 18.33 O ATOM 388 CB ARG A 53 1.374 11.997 -12.292 1.00 15.69 C ATOM 389 CG ARG A 53 0.522 11.288 -11.236 1.00 17.94 C ATOM 390 CD ARG A 53 0.236 9.835 -11.642 1.00 18.26 C ATOM 391 NE ARG A 53 -0.842 9.728 -12.673 1.00 19.93 N ATOM 392 CZ ARG A 53 -1.170 8.585 -13.305 1.00 21.00 C ATOM 393 NH1 ARG A 53 -0.461 7.462 -13.067 1.00 19.15 N ATOM 394 NH2 ARG A 53 -2.173 8.567 -14.191 1.00 18.19 N ATOM 0 H ARG A 53 -0.375 13.850 -12.917 1.00 18.43 H new ATOM 0 HA ARG A 53 1.823 13.696 -11.296 1.00 17.19 H new ATOM 0 HB2 ARG A 53 1.034 11.774 -13.173 1.00 15.69 H new ATOM 0 HB3 ARG A 53 2.281 11.657 -12.244 1.00 15.69 H new ATOM 0 HG2 ARG A 53 0.981 11.304 -10.382 1.00 17.94 H new ATOM 0 HG3 ARG A 53 -0.314 11.765 -11.118 1.00 17.94 H new ATOM 0 HD2 ARG A 53 1.049 9.433 -11.986 1.00 18.26 H new ATOM 0 HD3 ARG A 53 -0.021 9.328 -10.856 1.00 18.26 H new ATOM 0 HE ARG A 53 -1.279 10.440 -12.875 1.00 19.93 H new ATOM 0 HH11 ARG A 53 0.197 7.478 -12.514 1.00 19.15 H new ATOM 0 HH12 ARG A 53 -0.667 6.730 -13.469 1.00 19.15 H new ATOM 0 HH21 ARG A 53 -2.611 9.288 -14.359 1.00 18.19 H new ATOM 0 HH22 ARG A 53 -2.379 7.835 -14.592 1.00 18.19 H new ATOM 395 N THR A 54 3.472 14.351 -13.039 1.00 19.44 N ATOM 396 CA THR A 54 4.350 15.024 -14.000 1.00 19.79 C ATOM 397 C THR A 54 5.504 14.083 -14.338 1.00 22.47 C ATOM 398 O THR A 54 5.811 13.201 -13.558 1.00 21.56 O ATOM 399 CB THR A 54 4.870 16.353 -13.456 1.00 18.89 C ATOM 400 OG1 THR A 54 5.581 16.114 -12.232 1.00 21.57 O ATOM 401 CG2 THR A 54 3.673 17.296 -13.189 1.00 17.34 C ATOM 0 H THR A 54 3.866 14.129 -12.308 1.00 19.44 H new ATOM 0 HA THR A 54 3.846 15.232 -14.802 1.00 19.79 H new ATOM 0 HB THR A 54 5.466 16.765 -14.101 1.00 18.89 H new ATOM 0 HG1 THR A 54 5.036 15.911 -11.626 1.00 21.57 H new ATOM 0 HG21 THR A 54 3.998 18.142 -12.843 1.00 17.34 H new ATOM 0 HG22 THR A 54 3.191 17.449 -14.017 1.00 17.34 H new ATOM 0 HG23 THR A 54 3.079 16.889 -12.540 1.00 17.34 H new ATOM 402 N ASP A 55 6.059 14.283 -15.531 1.00 22.39 N ATOM 403 CA ASP A 55 7.119 13.506 -16.130 1.00 28.13 C ATOM 404 C ASP A 55 6.947 12.037 -15.979 1.00 27.21 C ATOM 405 O ASP A 55 7.695 11.424 -15.270 1.00 28.49 O ATOM 406 CB ASP A 55 8.505 13.978 -15.662 1.00 29.00 C ATOM 407 CG ASP A 55 8.701 15.445 -15.936 1.00 36.26 C ATOM 408 OD1 ASP A 55 8.569 15.844 -17.117 1.00 44.93 O ATOM 409 OD2 ASP A 55 8.914 16.224 -15.001 1.00 36.84 O ATOM 0 H ASP A 55 5.802 14.925 -16.042 1.00 22.39 H new ATOM 0 HA ASP A 55 7.058 13.672 -17.084 1.00 28.13 H new ATOM 0 HB2 ASP A 55 8.604 13.808 -14.712 1.00 29.00 H new ATOM 0 HB3 ASP A 55 9.194 13.467 -16.115 1.00 29.00 H new ATOM 410 N CYS A 56 5.958 11.495 -16.664 1.00 25.51 N ATOM 411 CA CYS A 56 5.712 10.076 -16.624 1.00 28.34 C ATOM 412 C CYS A 56 6.163 9.428 -17.893 1.00 27.36 C ATOM 413 O CYS A 56 6.113 10.021 -18.947 1.00 26.88 O ATOM 414 CB CYS A 56 4.218 9.789 -16.488 1.00 29.48 C ATOM 415 SG CYS A 56 3.402 10.492 -15.066 1.00 25.28 S ATOM 0 H CYS A 56 5.415 11.939 -17.162 1.00 25.51 H new ATOM 0 HA CYS A 56 6.200 9.725 -15.863 1.00 28.34 H new ATOM 0 HB2 CYS A 56 3.772 10.114 -17.286 1.00 29.48 H new ATOM 0 HB3 CYS A 56 4.094 8.827 -16.465 1.00 29.48 H new ATOM 416 N TYR A 57 6.567 8.184 -17.776 1.00 29.83 N ATOM 417 CA TYR A 57 6.894 7.319 -18.899 1.00 37.57 C ATOM 418 C TYR A 57 6.150 6.076 -18.540 1.00 36.71 C ATOM 419 O TYR A 57 6.217 5.582 -17.408 1.00 38.30 O ATOM 420 CB TYR A 57 8.410 7.046 -19.054 1.00 41.16 C ATOM 421 CG TYR A 57 9.158 8.342 -19.281 1.00 52.24 C ATOM 422 CD1 TYR A 57 9.479 9.174 -18.182 1.00 52.86 C ATOM 423 CD2 TYR A 57 9.508 8.795 -20.596 1.00 55.42 C ATOM 424 CE1 TYR A 57 10.130 10.394 -18.362 1.00 56.99 C ATOM 425 CE2 TYR A 57 10.175 10.025 -20.791 1.00 52.45 C ATOM 426 CZ TYR A 57 10.474 10.815 -19.662 1.00 57.60 C ATOM 427 OH TYR A 57 11.123 12.021 -19.732 1.00 55.59 O ATOM 0 H TYR A 57 6.664 7.799 -17.013 1.00 29.83 H new ATOM 0 HA TYR A 57 6.654 7.708 -19.755 1.00 37.57 H new ATOM 0 HB2 TYR A 57 8.748 6.605 -18.259 1.00 41.16 H new ATOM 0 HB3 TYR A 57 8.562 6.443 -19.799 1.00 41.16 H new ATOM 0 HD1 TYR A 57 9.251 8.902 -17.322 1.00 52.86 H new ATOM 0 HD2 TYR A 57 9.292 8.270 -21.333 1.00 55.42 H new ATOM 0 HE1 TYR A 57 10.336 10.927 -17.628 1.00 56.99 H new ATOM 0 HE2 TYR A 57 10.412 10.307 -21.645 1.00 52.45 H new ATOM 0 HH TYR A 57 11.294 12.201 -20.534 1.00 55.59 H new ATOM 428 N PHE A 58 5.351 5.649 -19.483 1.00 32.12 N ATOM 429 CA PHE A 58 4.695 4.371 -19.417 1.00 35.61 C ATOM 430 C PHE A 58 5.029 3.536 -20.648 1.00 39.62 C ATOM 431 O PHE A 58 5.329 4.068 -21.729 1.00 38.99 O ATOM 432 CB PHE A 58 3.203 4.595 -19.257 1.00 30.78 C ATOM 433 CG PHE A 58 2.846 5.265 -17.942 1.00 29.88 C ATOM 434 CD1 PHE A 58 2.866 4.541 -16.747 1.00 27.96 C ATOM 435 CD2 PHE A 58 2.511 6.637 -17.900 1.00 28.06 C ATOM 436 CE1 PHE A 58 2.547 5.182 -15.552 1.00 29.30 C ATOM 437 CE2 PHE A 58 2.164 7.265 -16.711 1.00 27.08 C ATOM 438 CZ PHE A 58 2.197 6.546 -15.532 1.00 25.22 C ATOM 0 H PHE A 58 5.170 6.100 -20.193 1.00 32.12 H new ATOM 0 HA PHE A 58 5.011 3.869 -18.649 1.00 35.61 H new ATOM 0 HB2 PHE A 58 2.882 5.141 -19.991 1.00 30.78 H new ATOM 0 HB3 PHE A 58 2.744 3.742 -19.316 1.00 30.78 H new ATOM 0 HD1 PHE A 58 3.090 3.638 -16.749 1.00 27.96 H new ATOM 0 HD2 PHE A 58 2.523 7.131 -18.688 1.00 28.06 H new ATOM 0 HE1 PHE A 58 2.565 4.702 -14.756 1.00 29.30 H new ATOM 0 HE2 PHE A 58 1.912 8.160 -16.709 1.00 27.08 H new ATOM 0 HZ PHE A 58 1.989 6.962 -14.727 1.00 25.22 H new ATOM 439 N ASP A 59 5.031 2.223 -20.467 1.00 46.03 N ATOM 440 CA ASP A 59 5.150 1.348 -21.595 1.00 47.08 C ATOM 441 C ASP A 59 3.746 1.023 -22.119 1.00 55.81 C ATOM 442 O ASP A 59 2.741 1.647 -21.713 1.00 54.30 O ATOM 443 CB ASP A 59 6.037 0.117 -21.298 1.00 45.34 C ATOM 444 CG ASP A 59 5.398 -0.901 -20.326 1.00 49.93 C ATOM 445 OD1 ASP A 59 4.147 -1.038 -20.154 1.00 44.70 O ATOM 446 OD2 ASP A 59 6.224 -1.596 -19.708 1.00 58.81 O ATOM 0 H ASP A 59 4.965 1.832 -19.704 1.00 46.03 H new ATOM 0 HA ASP A 59 5.627 1.794 -22.312 1.00 47.08 H new ATOM 0 HB2 ASP A 59 6.241 -0.332 -22.133 1.00 45.34 H new ATOM 0 HB3 ASP A 59 6.880 0.420 -20.926 1.00 45.34 H new ATOM 447 N ASP A 60 3.690 0.037 -23.010 1.00 65.59 N ATOM 448 CA ASP A 60 2.467 -0.325 -23.707 1.00 73.12 C ATOM 449 C ASP A 60 1.505 -1.134 -22.856 1.00 66.55 C ATOM 450 O ASP A 60 0.328 -1.167 -23.173 1.00 72.45 O ATOM 451 CB ASP A 60 2.779 -1.010 -25.044 1.00 87.05 C ATOM 452 CG ASP A 60 3.794 -0.222 -25.871 1.00 98.20 C ATOM 453 OD1 ASP A 60 3.542 0.973 -26.225 1.00 83.73 O ATOM 454 OD2 ASP A 60 4.867 -0.814 -26.132 1.00112.31 O ATOM 0 H ASP A 60 4.369 -0.444 -23.227 1.00 65.59 H new ATOM 0 HA ASP A 60 2.001 0.504 -23.899 1.00 73.12 H new ATOM 0 HB2 ASP A 60 3.122 -1.902 -24.877 1.00 87.05 H new ATOM 0 HB3 ASP A 60 1.959 -1.113 -25.552 1.00 87.05 H new ATOM 455 N SER A 61 1.979 -1.767 -21.781 1.00 60.46 N ATOM 456 CA SER A 61 1.051 -2.266 -20.753 1.00 55.22 C ATOM 457 C SER A 61 0.681 -1.201 -19.659 1.00 52.88 C ATOM 458 O SER A 61 -0.070 -1.504 -18.751 1.00 44.44 O ATOM 459 CB SER A 61 1.554 -3.569 -20.134 1.00 57.58 C ATOM 460 OG SER A 61 2.708 -3.332 -19.338 1.00 67.88 O ATOM 0 H SER A 61 2.812 -1.917 -21.627 1.00 60.46 H new ATOM 0 HA SER A 61 0.220 -2.454 -21.216 1.00 55.22 H new ATOM 0 HB2 SER A 61 0.855 -3.965 -19.590 1.00 57.58 H new ATOM 0 HB3 SER A 61 1.764 -4.206 -20.835 1.00 57.58 H new ATOM 0 HG SER A 61 3.096 -2.637 -19.607 1.00 67.88 H new ATOM 461 N GLY A 62 1.155 0.047 -19.770 1.00 49.12 N ATOM 462 CA GLY A 62 0.783 1.081 -18.791 1.00 45.10 C ATOM 463 C GLY A 62 1.473 0.948 -17.429 1.00 45.97 C ATOM 464 O GLY A 62 0.858 1.233 -16.369 1.00 44.25 O ATOM 0 H GLY A 62 1.684 0.313 -20.394 1.00 49.12 H new ATOM 0 HA2 GLY A 62 0.993 1.952 -19.163 1.00 45.10 H new ATOM 0 HA3 GLY A 62 -0.177 1.053 -18.658 1.00 45.10 H new ATOM 465 N SER A 63 2.729 0.478 -17.475 1.00 41.75 N ATOM 466 CA SER A 63 3.637 0.395 -16.344 1.00 43.30 C ATOM 467 C SER A 63 4.820 1.296 -16.600 1.00 42.79 C ATOM 468 O SER A 63 5.366 1.305 -17.706 1.00 41.28 O ATOM 469 CB SER A 63 4.145 -1.024 -16.127 1.00 47.23 C ATOM 470 OG SER A 63 3.304 -1.690 -15.206 1.00 55.63 O ATOM 0 H SER A 63 3.081 0.188 -18.204 1.00 41.75 H new ATOM 0 HA SER A 63 3.152 0.669 -15.550 1.00 43.30 H new ATOM 0 HB2 SER A 63 4.162 -1.504 -16.970 1.00 47.23 H new ATOM 0 HB3 SER A 63 5.055 -1.004 -15.793 1.00 47.23 H new ATOM 0 HG SER A 63 3.583 -2.473 -15.087 1.00 55.63 H new ATOM 471 N GLY A 64 5.215 2.062 -15.584 1.00 37.37 N ATOM 472 CA GLY A 64 6.316 2.984 -15.767 1.00 33.89 C ATOM 473 C GLY A 64 6.587 3.749 -14.518 1.00 31.46 C ATOM 474 O GLY A 64 6.622 3.154 -13.459 1.00 35.41 O ATOM 0 H GLY A 64 4.863 2.060 -14.799 1.00 37.37 H new ATOM 0 HA2 GLY A 64 7.111 2.495 -16.029 1.00 33.89 H new ATOM 0 HA3 GLY A 64 6.110 3.599 -16.488 1.00 33.89 H new ATOM 475 N ILE A 65 6.781 5.059 -14.637 1.00 29.01 N ATOM 476 CA ILE A 65 7.182 5.872 -13.501 1.00 29.04 C ATOM 477 C ILE A 65 6.794 7.324 -13.747 1.00 29.38 C ATOM 478 O ILE A 65 6.754 7.763 -14.902 1.00 30.63 O ATOM 479 CB ILE A 65 8.710 5.708 -13.180 1.00 27.39 C ATOM 480 CG1 ILE A 65 9.064 6.430 -11.905 1.00 27.74 C ATOM 481 CG2 ILE A 65 9.605 6.157 -14.324 1.00 23.47 C ATOM 482 CD1 ILE A 65 9.700 5.515 -10.931 1.00 26.09 C ATOM 0 H ILE A 65 6.684 5.495 -15.372 1.00 29.01 H new ATOM 0 HA ILE A 65 6.709 5.563 -12.712 1.00 29.04 H new ATOM 0 HB ILE A 65 8.872 4.759 -13.060 1.00 27.39 H new ATOM 0 HG12 ILE A 65 9.665 7.165 -12.103 1.00 27.74 H new ATOM 0 HG13 ILE A 65 8.264 6.815 -11.516 1.00 27.74 H new ATOM 0 HG21 ILE A 65 10.535 6.035 -14.075 1.00 23.47 H new ATOM 0 HG22 ILE A 65 9.410 5.629 -15.114 1.00 23.47 H new ATOM 0 HG23 ILE A 65 9.442 7.094 -14.514 1.00 23.47 H new ATOM 0 HD11 ILE A 65 9.917 6.004 -10.122 1.00 26.09 H new ATOM 0 HD12 ILE A 65 9.088 4.793 -10.718 1.00 26.09 H new ATOM 0 HD13 ILE A 65 10.512 5.148 -11.314 1.00 26.09 H new ATOM 483 N CYS A 66 6.507 8.053 -12.670 1.00 26.01 N ATOM 484 CA CYS A 66 6.259 9.511 -12.767 1.00 25.06 C ATOM 485 C CYS A 66 7.171 10.199 -11.734 1.00 24.69 C ATOM 486 O CYS A 66 7.517 9.595 -10.717 1.00 23.02 O ATOM 487 CB CYS A 66 4.827 9.848 -12.457 1.00 22.76 C ATOM 488 SG CYS A 66 3.688 9.069 -13.581 1.00 27.58 S ATOM 0 H CYS A 66 6.449 7.733 -11.874 1.00 26.01 H new ATOM 0 HA CYS A 66 6.444 9.811 -13.671 1.00 25.06 H new ATOM 0 HB2 CYS A 66 4.622 9.573 -11.550 1.00 22.76 H new ATOM 0 HB3 CYS A 66 4.708 10.810 -12.495 1.00 22.76 H new ATOM 489 N LYS A 67 7.549 11.444 -11.993 1.00 22.75 N ATOM 490 CA LYS A 67 8.359 12.195 -11.052 1.00 25.02 C ATOM 491 C LYS A 67 7.568 12.769 -9.905 1.00 25.33 C ATOM 492 O LYS A 67 8.139 12.930 -8.872 1.00 29.21 O ATOM 493 CB LYS A 67 9.140 13.270 -11.744 1.00 26.21 C ATOM 494 CG LYS A 67 10.171 12.656 -12.643 1.00 27.03 C ATOM 495 CD LYS A 67 11.324 13.600 -12.717 1.00 30.49 C ATOM 496 CE LYS A 67 12.344 12.971 -13.617 1.00 34.87 C ATOM 497 NZ LYS A 67 13.433 13.957 -13.656 1.00 43.76 N ATOM 0 H LYS A 67 7.345 11.871 -12.711 1.00 22.75 H new ATOM 0 HA LYS A 67 8.978 11.555 -10.667 1.00 25.02 H new ATOM 0 HB2 LYS A 67 8.543 13.832 -12.261 1.00 26.21 H new ATOM 0 HB3 LYS A 67 9.570 13.841 -11.088 1.00 26.21 H new ATOM 0 HG2 LYS A 67 10.456 11.796 -12.297 1.00 27.03 H new ATOM 0 HG3 LYS A 67 9.802 12.498 -13.526 1.00 27.03 H new ATOM 0 HD2 LYS A 67 11.042 14.460 -13.065 1.00 30.49 H new ATOM 0 HD3 LYS A 67 11.695 13.759 -11.835 1.00 30.49 H new ATOM 0 HE2 LYS A 67 12.648 12.118 -13.269 1.00 34.87 H new ATOM 0 HE3 LYS A 67 11.983 12.804 -14.502 1.00 34.87 H new ATOM 0 HZ1 LYS A 67 14.088 13.655 -14.177 1.00 43.76 H new ATOM 0 HZ2 LYS A 67 13.126 14.726 -13.982 1.00 43.76 H new ATOM 0 HZ3 LYS A 67 13.745 14.087 -12.833 1.00 43.76 H new ATOM 498 N THR A 68 6.273 13.064 -10.060 1.00 22.55 N ATOM 499 CA THR A 68 5.482 13.428 -8.900 1.00 20.32 C ATOM 500 C THR A 68 4.215 12.634 -8.994 1.00 23.10 C ATOM 501 O THR A 68 3.775 12.368 -10.121 1.00 20.56 O ATOM 502 CB THR A 68 5.194 14.922 -8.789 1.00 19.78 C ATOM 503 OG1 THR A 68 4.368 15.369 -9.882 1.00 18.71 O ATOM 504 CG2 THR A 68 6.528 15.750 -8.690 1.00 18.91 C ATOM 0 H THR A 68 5.850 13.058 -10.809 1.00 22.55 H new ATOM 0 HA THR A 68 5.981 13.225 -8.094 1.00 20.32 H new ATOM 0 HB THR A 68 4.699 15.074 -7.969 1.00 19.78 H new ATOM 0 HG1 THR A 68 3.690 15.762 -9.579 1.00 18.71 H new ATOM 0 HG21 THR A 68 6.318 16.695 -8.621 1.00 18.91 H new ATOM 0 HG22 THR A 68 7.025 15.471 -7.905 1.00 18.91 H new ATOM 0 HG23 THR A 68 7.064 15.596 -9.483 1.00 18.91 H new ATOM 505 N GLY A 69 3.704 12.161 -7.833 1.00 20.51 N ATOM 506 CA GLY A 69 2.411 11.519 -7.778 1.00 19.75 C ATOM 507 C GLY A 69 2.286 10.113 -8.301 1.00 21.85 C ATOM 508 O GLY A 69 1.159 9.614 -8.502 1.00 24.86 O ATOM 0 H GLY A 69 4.107 12.212 -7.075 1.00 20.51 H new ATOM 0 HA2 GLY A 69 2.122 11.516 -6.852 1.00 19.75 H new ATOM 0 HA3 GLY A 69 1.785 12.074 -8.269 1.00 19.75 H new ATOM 509 N ASP A 70 3.410 9.445 -8.503 1.00 22.76 N ATOM 510 CA ASP A 70 3.413 8.050 -8.963 1.00 25.92 C ATOM 511 C ASP A 70 2.553 7.124 -8.047 1.00 25.59 C ATOM 512 O ASP A 70 2.612 7.243 -6.815 1.00 25.93 O ATOM 513 CB ASP A 70 4.864 7.547 -9.040 1.00 26.65 C ATOM 514 CG ASP A 70 4.991 6.191 -9.762 1.00 28.22 C ATOM 515 OD1 ASP A 70 4.759 6.079 -10.984 1.00 31.17 O ATOM 516 OD2 ASP A 70 5.333 5.227 -9.079 1.00 31.07 O ATOM 0 H ASP A 70 4.193 9.778 -8.380 1.00 22.76 H new ATOM 0 HA ASP A 70 3.008 8.020 -9.844 1.00 25.92 H new ATOM 0 HB2 ASP A 70 5.406 8.206 -9.502 1.00 26.65 H new ATOM 0 HB3 ASP A 70 5.221 7.465 -8.142 1.00 26.65 H new ATOM 517 N CYS A 71 1.739 6.236 -8.622 1.00 25.70 N ATOM 518 CA CYS A 71 0.905 5.323 -7.788 1.00 25.84 C ATOM 519 C CYS A 71 1.404 3.895 -8.085 1.00 28.66 C ATOM 520 O CYS A 71 0.857 3.182 -8.918 1.00 32.23 O ATOM 521 CB CYS A 71 -0.595 5.540 -8.071 1.00 27.62 C ATOM 522 SG CYS A 71 -0.979 5.285 -9.831 1.00 31.57 S ATOM 0 H CYS A 71 1.647 6.137 -9.471 1.00 25.70 H new ATOM 0 HA CYS A 71 0.996 5.499 -6.839 1.00 25.84 H new ATOM 0 HB2 CYS A 71 -1.120 4.928 -7.531 1.00 27.62 H new ATOM 0 HB3 CYS A 71 -0.849 6.439 -7.809 1.00 27.62 H new ATOM 523 N GLY A 72 2.535 3.528 -7.474 1.00 29.79 N ATOM 524 CA GLY A 72 3.199 2.274 -7.725 1.00 27.93 C ATOM 525 C GLY A 72 3.390 1.973 -9.208 1.00 31.90 C ATOM 526 O GLY A 72 3.238 0.843 -9.624 1.00 33.65 O ATOM 0 H GLY A 72 2.935 4.019 -6.893 1.00 29.79 H new ATOM 0 HA2 GLY A 72 4.066 2.282 -7.290 1.00 27.93 H new ATOM 0 HA3 GLY A 72 2.685 1.558 -7.320 1.00 27.93 H new ATOM 527 N GLY A 73 3.708 2.968 -10.020 1.00 31.44 N ATOM 528 CA GLY A 73 4.152 2.697 -11.371 1.00 29.90 C ATOM 529 C GLY A 73 3.101 2.352 -12.412 1.00 32.23 C ATOM 530 O GLY A 73 3.472 1.956 -13.498 1.00 34.93 O ATOM 0 H GLY A 73 3.673 3.801 -9.809 1.00 31.44 H new ATOM 0 HA2 GLY A 73 4.638 3.475 -11.686 1.00 29.90 H new ATOM 0 HA3 GLY A 73 4.785 1.963 -11.334 1.00 29.90 H new ATOM 531 N LEU A 74 1.816 2.518 -12.086 1.00 29.88 N ATOM 532 CA LEU A 74 0.692 2.252 -13.001 1.00 31.07 C ATOM 533 C LEU A 74 0.119 3.541 -13.653 1.00 29.21 C ATOM 534 O LEU A 74 0.084 4.612 -13.012 1.00 27.08 O ATOM 535 CB LEU A 74 -0.439 1.569 -12.202 1.00 30.93 C ATOM 536 CG LEU A 74 0.022 0.230 -11.650 1.00 29.98 C ATOM 537 CD1 LEU A 74 -1.010 -0.354 -10.727 1.00 31.46 C ATOM 538 CD2 LEU A 74 0.242 -0.715 -12.824 1.00 32.57 C ATOM 0 H LEU A 74 1.565 2.794 -11.311 1.00 29.88 H new ATOM 0 HA LEU A 74 1.028 1.688 -13.715 1.00 31.07 H new ATOM 0 HB2 LEU A 74 -0.719 2.145 -11.473 1.00 30.93 H new ATOM 0 HB3 LEU A 74 -1.212 1.439 -12.774 1.00 30.93 H new ATOM 0 HG LEU A 74 0.842 0.354 -11.146 1.00 29.98 H new ATOM 0 HD11 LEU A 74 -0.695 -1.206 -10.387 1.00 31.46 H new ATOM 0 HD12 LEU A 74 -1.162 0.253 -9.986 1.00 31.46 H new ATOM 0 HD13 LEU A 74 -1.840 -0.486 -11.211 1.00 31.46 H new ATOM 0 HD21 LEU A 74 0.537 -1.578 -12.494 1.00 32.57 H new ATOM 0 HD22 LEU A 74 -0.589 -0.823 -13.313 1.00 32.57 H new ATOM 0 HD23 LEU A 74 0.918 -0.346 -13.414 1.00 32.57 H new ATOM 539 N LEU A 75 -0.349 3.432 -14.898 1.00 27.94 N ATOM 540 CA LEU A 75 -1.071 4.541 -15.559 1.00 30.01 C ATOM 541 C LEU A 75 -2.415 4.771 -14.872 1.00 30.66 C ATOM 542 O LEU A 75 -2.764 5.891 -14.534 1.00 32.73 O ATOM 543 CB LEU A 75 -1.265 4.258 -17.051 1.00 30.57 C ATOM 544 CG LEU A 75 -2.126 5.200 -17.912 1.00 32.69 C ATOM 545 CD1 LEU A 75 -1.603 6.640 -17.830 1.00 31.89 C ATOM 546 CD2 LEU A 75 -2.106 4.677 -19.352 1.00 30.74 C ATOM 0 H LEU A 75 -0.262 2.727 -15.383 1.00 27.94 H new ATOM 0 HA LEU A 75 -0.537 5.347 -15.479 1.00 30.01 H new ATOM 0 HB2 LEU A 75 -0.384 4.225 -17.454 1.00 30.57 H new ATOM 0 HB3 LEU A 75 -1.646 3.369 -17.128 1.00 30.57 H new ATOM 0 HG LEU A 75 -3.039 5.215 -17.585 1.00 32.69 H new ATOM 0 HD11 LEU A 75 -2.157 7.217 -18.378 1.00 31.89 H new ATOM 0 HD12 LEU A 75 -1.632 6.943 -16.909 1.00 31.89 H new ATOM 0 HD13 LEU A 75 -0.688 6.671 -18.151 1.00 31.89 H new ATOM 0 HD21 LEU A 75 -2.643 5.256 -19.914 1.00 30.74 H new ATOM 0 HD22 LEU A 75 -1.193 4.665 -19.680 1.00 30.74 H new ATOM 0 HD23 LEU A 75 -2.469 3.778 -19.375 1.00 30.74 H new ATOM 547 N ARG A 76 -3.139 3.684 -14.652 1.00 29.34 N ATOM 548 CA ARG A 76 -4.429 3.703 -14.057 1.00 30.46 C ATOM 549 C ARG A 76 -4.286 3.473 -12.584 1.00 31.62 C ATOM 550 O ARG A 76 -4.151 2.333 -12.181 1.00 33.18 O ATOM 551 CB ARG A 76 -5.220 2.573 -14.649 1.00 33.63 C ATOM 552 CG ARG A 76 -5.458 2.744 -16.133 1.00 38.72 C ATOM 553 CD ARG A 76 -6.356 1.626 -16.568 1.00 46.12 C ATOM 554 NE ARG A 76 -6.951 1.897 -17.855 1.00 64.43 N ATOM 555 CZ ARG A 76 -6.289 1.923 -19.017 1.00 79.74 C ATOM 556 NH1 ARG A 76 -4.967 1.728 -19.069 1.00 85.83 N ATOM 557 NH2 ARG A 76 -6.955 2.167 -20.143 1.00 83.87 N ATOM 0 H ARG A 76 -2.869 2.894 -14.858 1.00 29.34 H new ATOM 0 HA ARG A 76 -4.869 4.553 -14.214 1.00 30.46 H new ATOM 0 HB2 ARG A 76 -4.751 1.738 -14.494 1.00 33.63 H new ATOM 0 HB3 ARG A 76 -6.074 2.507 -14.193 1.00 33.63 H new ATOM 0 HG2 ARG A 76 -5.867 3.604 -16.317 1.00 38.72 H new ATOM 0 HG3 ARG A 76 -4.619 2.719 -16.620 1.00 38.72 H new ATOM 0 HD2 ARG A 76 -5.849 0.800 -16.612 1.00 46.12 H new ATOM 0 HD3 ARG A 76 -7.055 1.495 -15.908 1.00 46.12 H new ATOM 0 HE ARG A 76 -7.796 2.054 -17.876 1.00 64.43 H new ATOM 0 HH11 ARG A 76 -4.525 1.582 -18.346 1.00 85.83 H new ATOM 0 HH12 ARG A 76 -4.559 1.748 -19.826 1.00 85.83 H new ATOM 0 HH21 ARG A 76 -7.803 2.306 -20.119 1.00 83.87 H new ATOM 0 HH22 ARG A 76 -6.537 2.186 -20.894 1.00 83.87 H new ATOM 558 N CYS A 77 -4.317 4.542 -11.776 1.00 30.90 N ATOM 559 CA CYS A 77 -4.115 4.448 -10.301 1.00 33.35 C ATOM 560 C CYS A 77 -5.184 3.702 -9.544 1.00 38.65 C ATOM 561 O CYS A 77 -6.358 3.861 -9.874 1.00 42.75 O ATOM 562 CB CYS A 77 -3.936 5.838 -9.679 1.00 30.44 C ATOM 563 SG CYS A 77 -2.433 6.582 -10.362 1.00 28.91 S ATOM 0 H CYS A 77 -4.455 5.343 -12.057 1.00 30.90 H new ATOM 0 HA CYS A 77 -3.306 3.920 -10.211 1.00 33.35 H new ATOM 0 HB2 CYS A 77 -4.706 6.396 -9.872 1.00 30.44 H new ATOM 0 HB3 CYS A 77 -3.870 5.770 -8.714 1.00 30.44 H new ATOM 564 N LYS A 78 -4.751 2.861 -8.587 1.00 38.69 N ATOM 565 CA LYS A 78 -5.579 2.210 -7.555 1.00 40.61 C ATOM 566 C LYS A 78 -5.267 2.810 -6.192 1.00 41.88 C ATOM 567 O LYS A 78 -6.173 3.076 -5.430 1.00 53.94 O ATOM 568 CB LYS A 78 -5.281 0.726 -7.437 1.00 43.25 C ATOM 569 CG LYS A 78 -5.838 -0.181 -8.503 1.00 54.90 C ATOM 570 CD LYS A 78 -4.882 -1.363 -8.702 1.00 67.11 C ATOM 571 CE LYS A 78 -5.323 -2.335 -9.809 1.00 80.56 C ATOM 572 NZ LYS A 78 -5.820 -1.664 -11.058 1.00 84.71 N ATOM 0 H LYS A 78 -3.921 2.645 -8.521 1.00 38.69 H new ATOM 0 HA LYS A 78 -6.503 2.346 -7.818 1.00 40.61 H new ATOM 0 HB2 LYS A 78 -4.318 0.614 -7.422 1.00 43.25 H new ATOM 0 HB3 LYS A 78 -5.615 0.421 -6.579 1.00 43.25 H new ATOM 0 HG2 LYS A 78 -6.717 -0.501 -8.245 1.00 54.90 H new ATOM 0 HG3 LYS A 78 -5.946 0.306 -9.335 1.00 54.90 H new ATOM 0 HD2 LYS A 78 -3.999 -1.022 -8.915 1.00 67.11 H new ATOM 0 HD3 LYS A 78 -4.805 -1.850 -7.867 1.00 67.11 H new ATOM 0 HE2 LYS A 78 -4.575 -2.909 -10.038 1.00 80.56 H new ATOM 0 HE3 LYS A 78 -6.024 -2.908 -9.461 1.00 80.56 H new ATOM 0 HZ1 LYS A 78 -5.989 -2.279 -11.679 1.00 84.71 H new ATOM 0 HZ2 LYS A 78 -6.566 -1.214 -10.877 1.00 84.71 H new ATOM 0 HZ3 LYS A 78 -5.200 -1.101 -11.360 1.00 84.71 H new ATOM 573 N ARG A 79 -3.985 2.984 -5.868 1.00 44.17 N ATOM 574 CA ARG A 79 -3.548 3.561 -4.588 1.00 40.79 C ATOM 575 C ARG A 79 -3.446 5.068 -4.824 1.00 38.58 C ATOM 576 O ARG A 79 -3.439 5.570 -5.973 1.00 31.58 O ATOM 577 CB ARG A 79 -2.124 3.113 -4.153 1.00 52.11 C ATOM 578 CG ARG A 79 -1.552 1.745 -4.534 1.00 67.54 C ATOM 579 CD ARG A 79 -2.027 0.630 -3.598 1.00 79.60 C ATOM 580 NE ARG A 79 -3.350 0.130 -4.001 1.00 91.39 N ATOM 581 CZ ARG A 79 -4.276 -0.407 -3.197 1.00 98.37 C ATOM 582 NH1 ARG A 79 -4.081 -0.535 -1.884 1.00 95.77 N ATOM 583 NH2 ARG A 79 -5.429 -0.811 -3.722 1.00102.08 N ATOM 0 H ARG A 79 -3.335 2.769 -6.389 1.00 44.17 H new ATOM 0 HA ARG A 79 -4.177 3.281 -3.904 1.00 40.79 H new ATOM 0 HB2 ARG A 79 -1.506 3.779 -4.492 1.00 52.11 H new ATOM 0 HB3 ARG A 79 -2.097 3.168 -3.185 1.00 52.11 H new ATOM 0 HG2 ARG A 79 -1.811 1.532 -5.444 1.00 67.54 H new ATOM 0 HG3 ARG A 79 -0.583 1.787 -4.517 1.00 67.54 H new ATOM 0 HD2 ARG A 79 -1.386 -0.098 -3.606 1.00 79.60 H new ATOM 0 HD3 ARG A 79 -2.067 0.963 -2.688 1.00 79.60 H new ATOM 0 HE ARG A 79 -3.548 0.188 -4.836 1.00 91.39 H new ATOM 0 HH11 ARG A 79 -3.343 -0.269 -1.531 1.00 95.77 H new ATOM 0 HH12 ARG A 79 -4.693 -0.884 -1.390 1.00 95.77 H new ATOM 0 HH21 ARG A 79 -5.571 -0.725 -4.566 1.00102.08 H new ATOM 0 HH22 ARG A 79 -6.033 -1.158 -3.218 1.00102.08 H new ATOM 584 N PHE A 80 -3.279 5.796 -3.737 1.00 32.72 N ATOM 585 CA PHE A 80 -2.853 7.181 -3.866 1.00 30.16 C ATOM 586 C PHE A 80 -1.398 7.305 -4.343 1.00 29.49 C ATOM 587 O PHE A 80 -0.625 6.324 -4.335 1.00 29.48 O ATOM 588 CB PHE A 80 -3.099 7.896 -2.566 1.00 26.68 C ATOM 589 CG PHE A 80 -4.551 7.883 -2.134 1.00 27.03 C ATOM 590 CD1 PHE A 80 -5.573 8.223 -3.040 1.00 29.18 C ATOM 591 CD2 PHE A 80 -4.886 7.589 -0.808 1.00 27.39 C ATOM 592 CE1 PHE A 80 -6.918 8.242 -2.648 1.00 30.66 C ATOM 593 CE2 PHE A 80 -6.219 7.614 -0.392 1.00 31.01 C ATOM 594 CZ PHE A 80 -7.245 7.938 -1.318 1.00 32.36 C ATOM 0 H PHE A 80 -3.402 5.520 -2.932 1.00 32.72 H new ATOM 0 HA PHE A 80 -3.382 7.608 -4.558 1.00 30.16 H new ATOM 0 HB2 PHE A 80 -2.559 7.486 -1.872 1.00 26.68 H new ATOM 0 HB3 PHE A 80 -2.802 8.816 -2.650 1.00 26.68 H new ATOM 0 HD1 PHE A 80 -5.351 8.439 -3.917 1.00 29.18 H new ATOM 0 HD2 PHE A 80 -4.216 7.375 -0.199 1.00 27.39 H new ATOM 0 HE1 PHE A 80 -7.585 8.453 -3.261 1.00 30.66 H new ATOM 0 HE2 PHE A 80 -6.434 7.418 0.491 1.00 31.01 H new ATOM 0 HZ PHE A 80 -8.133 7.949 -1.043 1.00 32.36 H new ATOM 595 N GLY A 81 -1.053 8.502 -4.787 1.00 24.58 N ATOM 596 CA GLY A 81 0.234 8.746 -5.369 1.00 24.53 C ATOM 597 C GLY A 81 1.259 9.244 -4.370 1.00 23.91 C ATOM 598 O GLY A 81 0.924 9.755 -3.341 1.00 22.52 O ATOM 0 H GLY A 81 -1.565 9.192 -4.756 1.00 24.58 H new ATOM 0 HA2 GLY A 81 0.559 7.927 -5.775 1.00 24.53 H new ATOM 0 HA3 GLY A 81 0.142 9.399 -6.081 1.00 24.53 H new ATOM 599 N ARG A 82 2.521 9.054 -4.692 1.00 24.25 N ATOM 600 CA ARG A 82 3.643 9.482 -3.887 1.00 25.19 C ATOM 601 C ARG A 82 3.710 11.020 -3.835 1.00 23.96 C ATOM 602 O ARG A 82 3.645 11.648 -4.904 1.00 21.56 O ATOM 603 CB ARG A 82 4.872 8.974 -4.616 1.00 28.04 C ATOM 604 CG ARG A 82 6.114 8.907 -3.790 1.00 34.36 C ATOM 605 CD ARG A 82 7.115 7.999 -4.529 1.00 40.40 C ATOM 606 NE ARG A 82 8.347 8.005 -3.753 1.00 45.15 N ATOM 607 CZ ARG A 82 9.186 9.038 -3.696 1.00 43.57 C ATOM 608 NH1 ARG A 82 8.977 10.136 -4.413 1.00 45.66 N ATOM 609 NH2 ARG A 82 10.238 8.976 -2.918 1.00 45.49 N ATOM 0 H ARG A 82 2.758 8.655 -5.416 1.00 24.25 H new ATOM 0 HA ARG A 82 3.573 9.149 -2.979 1.00 25.19 H new ATOM 0 HB2 ARG A 82 4.682 8.088 -4.963 1.00 28.04 H new ATOM 0 HB3 ARG A 82 5.039 9.548 -5.380 1.00 28.04 H new ATOM 0 HG2 ARG A 82 6.487 9.793 -3.663 1.00 34.36 H new ATOM 0 HG3 ARG A 82 5.919 8.552 -2.909 1.00 34.36 H new ATOM 0 HD2 ARG A 82 6.765 7.098 -4.611 1.00 40.40 H new ATOM 0 HD3 ARG A 82 7.274 8.325 -5.429 1.00 40.40 H new ATOM 0 HE ARG A 82 8.545 7.299 -3.304 1.00 45.15 H new ATOM 0 HH11 ARG A 82 8.289 10.190 -4.927 1.00 45.66 H new ATOM 0 HH12 ARG A 82 9.529 10.793 -4.364 1.00 45.66 H new ATOM 0 HH21 ARG A 82 10.384 8.271 -2.448 1.00 45.49 H new ATOM 0 HH22 ARG A 82 10.783 9.640 -2.878 1.00 45.49 H new ATOM 610 N PRO A 83 3.869 11.645 -2.618 1.00 23.09 N ATOM 611 CA PRO A 83 4.071 13.123 -2.570 1.00 21.44 C ATOM 612 C PRO A 83 5.299 13.563 -3.444 1.00 23.78 C ATOM 613 O PRO A 83 6.174 12.757 -3.682 1.00 23.84 O ATOM 614 CB PRO A 83 4.289 13.385 -1.079 1.00 22.08 C ATOM 615 CG PRO A 83 3.616 12.228 -0.392 1.00 22.46 C ATOM 616 CD PRO A 83 4.015 11.066 -1.272 1.00 22.00 C ATOM 0 HA PRO A 83 3.328 13.630 -2.933 1.00 21.44 H new ATOM 0 HB2 PRO A 83 5.233 13.424 -0.862 1.00 22.08 H new ATOM 0 HB3 PRO A 83 3.900 14.231 -0.808 1.00 22.08 H new ATOM 0 HG2 PRO A 83 3.927 12.116 0.520 1.00 22.46 H new ATOM 0 HG3 PRO A 83 2.653 12.339 -0.352 1.00 22.46 H new ATOM 0 HD2 PRO A 83 4.923 10.773 -1.098 1.00 22.00 H new ATOM 0 HD3 PRO A 83 3.439 10.296 -1.142 1.00 22.00 H new ATOM 617 N PRO A 84 5.380 14.793 -3.948 1.00 22.33 N ATOM 618 CA PRO A 84 4.433 15.881 -3.662 1.00 19.18 C ATOM 619 C PRO A 84 3.264 15.878 -4.652 1.00 20.94 C ATOM 620 O PRO A 84 3.481 15.792 -5.883 1.00 23.65 O ATOM 621 CB PRO A 84 5.325 17.154 -3.842 1.00 18.72 C ATOM 622 CG PRO A 84 6.574 16.714 -4.640 1.00 19.55 C ATOM 623 CD PRO A 84 6.484 15.205 -4.853 1.00 19.43 C ATOM 0 HA PRO A 84 4.020 15.815 -2.787 1.00 19.18 H new ATOM 0 HB2 PRO A 84 4.841 17.849 -4.315 1.00 18.72 H new ATOM 0 HB3 PRO A 84 5.579 17.521 -2.981 1.00 18.72 H new ATOM 0 HG2 PRO A 84 6.613 17.176 -5.492 1.00 19.55 H new ATOM 0 HG3 PRO A 84 7.384 16.941 -4.157 1.00 19.55 H new ATOM 0 HD2 PRO A 84 6.289 14.986 -5.778 1.00 19.43 H new ATOM 0 HD3 PRO A 84 7.316 14.762 -4.626 1.00 19.43 H new ATOM 624 N THR A 85 2.044 15.976 -4.145 1.00 19.01 N ATOM 625 CA THR A 85 0.883 16.076 -4.968 1.00 18.49 C ATOM 626 C THR A 85 -0.089 17.075 -4.388 1.00 18.90 C ATOM 627 O THR A 85 -0.520 16.894 -3.249 1.00 19.43 O ATOM 628 CB THR A 85 0.116 14.754 -4.963 1.00 20.34 C ATOM 629 OG1 THR A 85 -0.125 14.398 -3.612 1.00 20.87 O ATOM 630 CG2 THR A 85 0.863 13.619 -5.655 1.00 18.43 C ATOM 0 H THR A 85 1.878 15.985 -3.301 1.00 19.01 H new ATOM 0 HA THR A 85 1.188 16.327 -5.854 1.00 18.49 H new ATOM 0 HB THR A 85 -0.707 14.885 -5.460 1.00 20.34 H new ATOM 0 HG1 THR A 85 -0.292 15.090 -3.165 1.00 20.87 H new ATOM 0 HG21 THR A 85 0.328 12.810 -5.619 1.00 18.43 H new ATOM 0 HG22 THR A 85 1.028 13.857 -6.581 1.00 18.43 H new ATOM 0 HG23 THR A 85 1.709 13.467 -5.205 1.00 18.43 H new ATOM 631 N THR A 86 -0.452 18.117 -5.147 1.00 18.44 N ATOM 632 CA THR A 86 -1.666 18.903 -4.802 1.00 20.39 C ATOM 633 C THR A 86 -2.926 17.996 -4.928 1.00 20.54 C ATOM 634 O THR A 86 -3.035 17.284 -5.918 1.00 19.85 O ATOM 635 CB THR A 86 -1.819 20.129 -5.723 1.00 18.87 C ATOM 636 OG1 THR A 86 -0.511 20.619 -5.987 1.00 20.64 O ATOM 637 CG2 THR A 86 -2.695 21.225 -5.065 1.00 17.65 C ATOM 0 H THR A 86 -0.029 18.385 -5.846 1.00 18.44 H new ATOM 0 HA THR A 86 -1.574 19.219 -3.890 1.00 20.39 H new ATOM 0 HB THR A 86 -2.266 19.877 -6.546 1.00 18.87 H new ATOM 0 HG1 THR A 86 -0.518 21.071 -6.695 1.00 20.64 H new ATOM 0 HG21 THR A 86 -2.773 21.982 -5.667 1.00 17.65 H new ATOM 0 HG22 THR A 86 -3.577 20.867 -4.881 1.00 17.65 H new ATOM 0 HG23 THR A 86 -2.284 21.513 -4.235 1.00 17.65 H new ATOM 638 N LEU A 87 -3.828 18.021 -3.937 1.00 17.91 N ATOM 639 CA LEU A 87 -4.938 17.096 -3.900 1.00 19.23 C ATOM 640 C LEU A 87 -6.271 17.785 -3.948 1.00 20.43 C ATOM 641 O LEU A 87 -6.504 18.684 -3.164 1.00 23.19 O ATOM 642 CB LEU A 87 -4.898 16.193 -2.672 1.00 18.60 C ATOM 643 CG LEU A 87 -3.621 15.392 -2.407 1.00 19.16 C ATOM 644 CD1 LEU A 87 -3.817 14.699 -1.078 1.00 19.13 C ATOM 645 CD2 LEU A 87 -3.381 14.406 -3.514 1.00 21.13 C ATOM 0 H LEU A 87 -3.804 18.574 -3.279 1.00 17.91 H new ATOM 0 HA LEU A 87 -4.838 16.555 -4.699 1.00 19.23 H new ATOM 0 HB2 LEU A 87 -5.069 16.744 -1.893 1.00 18.60 H new ATOM 0 HB3 LEU A 87 -5.633 15.564 -2.742 1.00 18.60 H new ATOM 0 HG LEU A 87 -2.840 15.967 -2.377 1.00 19.16 H new ATOM 0 HD11 LEU A 87 -3.028 14.176 -0.866 1.00 19.13 H new ATOM 0 HD12 LEU A 87 -3.960 15.362 -0.385 1.00 19.13 H new ATOM 0 HD13 LEU A 87 -4.589 14.114 -1.129 1.00 19.13 H new ATOM 0 HD21 LEU A 87 -2.570 13.907 -3.332 1.00 21.13 H new ATOM 0 HD22 LEU A 87 -4.131 13.794 -3.571 1.00 21.13 H new ATOM 0 HD23 LEU A 87 -3.287 14.880 -4.355 1.00 21.13 H new ATOM 646 N ALA A 88 -7.113 17.395 -4.913 1.00 20.33 N ATOM 647 CA ALA A 88 -8.564 17.641 -4.866 1.00 21.60 C ATOM 648 C ALA A 88 -9.208 16.458 -4.118 1.00 21.94 C ATOM 649 O ALA A 88 -9.110 15.294 -4.568 1.00 22.77 O ATOM 650 CB ALA A 88 -9.117 17.808 -6.264 1.00 21.03 C ATOM 0 H ALA A 88 -6.857 16.977 -5.619 1.00 20.33 H new ATOM 0 HA ALA A 88 -8.766 18.465 -4.396 1.00 21.60 H new ATOM 0 HB1 ALA A 88 -10.072 17.969 -6.217 1.00 21.03 H new ATOM 0 HB2 ALA A 88 -8.683 18.561 -6.696 1.00 21.03 H new ATOM 0 HB3 ALA A 88 -8.950 17.002 -6.777 1.00 21.03 H new ATOM 651 N GLU A 89 -9.853 16.756 -2.983 1.00 21.64 N ATOM 652 CA GLU A 89 -10.410 15.725 -2.108 1.00 22.50 C ATOM 653 C GLU A 89 -11.913 15.889 -2.013 1.00 25.00 C ATOM 654 O GLU A 89 -12.419 17.031 -1.904 1.00 26.64 O ATOM 655 CB GLU A 89 -9.851 15.909 -0.708 1.00 21.58 C ATOM 656 CG GLU A 89 -8.359 16.045 -0.696 1.00 22.55 C ATOM 657 CD GLU A 89 -7.814 15.909 0.690 1.00 23.22 C ATOM 658 OE1 GLU A 89 -8.207 16.684 1.604 1.00 20.42 O ATOM 659 OE2 GLU A 89 -6.965 15.024 0.841 1.00 24.09 O ATOM 0 H GLU A 89 -9.978 17.559 -2.703 1.00 21.64 H new ATOM 0 HA GLU A 89 -10.183 14.853 -2.468 1.00 22.50 H new ATOM 0 HB2 GLU A 89 -10.247 16.698 -0.306 1.00 21.58 H new ATOM 0 HB3 GLU A 89 -10.108 15.152 -0.159 1.00 21.58 H new ATOM 0 HG2 GLU A 89 -7.966 15.368 -1.269 1.00 22.55 H new ATOM 0 HG3 GLU A 89 -8.107 16.907 -1.062 1.00 22.55 H new ATOM 660 N PHE A 90 -12.622 14.767 -2.033 1.00 24.81 N ATOM 661 CA PHE A 90 -14.100 14.797 -2.010 1.00 26.72 C ATOM 662 C PHE A 90 -14.751 13.602 -1.289 1.00 25.66 C ATOM 663 O PHE A 90 -14.241 12.464 -1.294 1.00 23.66 O ATOM 664 CB PHE A 90 -14.689 14.957 -3.433 1.00 27.09 C ATOM 665 CG PHE A 90 -14.146 13.963 -4.428 1.00 25.30 C ATOM 666 CD1 PHE A 90 -13.020 14.262 -5.178 1.00 25.73 C ATOM 667 CD2 PHE A 90 -14.787 12.758 -4.634 1.00 27.23 C ATOM 668 CE1 PHE A 90 -12.501 13.370 -6.105 1.00 23.58 C ATOM 669 CE2 PHE A 90 -14.303 11.839 -5.563 1.00 28.11 C ATOM 670 CZ PHE A 90 -13.151 12.143 -6.295 1.00 27.36 C ATOM 0 H PHE A 90 -12.279 13.979 -2.060 1.00 24.81 H new ATOM 0 HA PHE A 90 -14.322 15.580 -1.483 1.00 26.72 H new ATOM 0 HB2 PHE A 90 -15.653 14.864 -3.388 1.00 27.09 H new ATOM 0 HB3 PHE A 90 -14.506 15.855 -3.751 1.00 27.09 H new ATOM 0 HD1 PHE A 90 -12.601 15.083 -5.057 1.00 25.73 H new ATOM 0 HD2 PHE A 90 -15.553 12.557 -4.146 1.00 27.23 H new ATOM 0 HE1 PHE A 90 -11.737 13.582 -6.591 1.00 23.58 H new ATOM 0 HE2 PHE A 90 -14.743 11.030 -5.695 1.00 28.11 H new ATOM 0 HZ PHE A 90 -12.816 11.530 -6.909 1.00 27.36 H new ATOM 671 N SER A 91 -15.873 13.903 -0.644 1.00 27.81 N ATOM 672 CA SER A 91 -16.781 12.894 -0.086 1.00 28.32 C ATOM 673 C SER A 91 -18.186 13.236 -0.505 1.00 27.26 C ATOM 674 O SER A 91 -18.692 14.354 -0.163 1.00 29.13 O ATOM 675 CB SER A 91 -16.670 12.862 1.437 1.00 26.49 C ATOM 676 OG SER A 91 -15.421 12.328 1.771 1.00 30.54 O ATOM 0 H SER A 91 -16.136 14.711 -0.514 1.00 27.81 H new ATOM 0 HA SER A 91 -16.543 12.015 -0.419 1.00 28.32 H new ATOM 0 HB2 SER A 91 -16.765 13.756 1.802 1.00 26.49 H new ATOM 0 HB3 SER A 91 -17.381 12.323 1.817 1.00 26.49 H new ATOM 0 HG SER A 91 -15.341 12.304 2.607 1.00 30.54 H new ATOM 677 N LEU A 92 -18.802 12.305 -1.250 1.00 26.42 N ATOM 678 CA LEU A 92 -20.081 12.623 -1.941 1.00 30.80 C ATOM 679 C LEU A 92 -21.278 12.022 -1.196 1.00 30.90 C ATOM 680 O LEU A 92 -21.197 10.862 -0.749 1.00 28.33 O ATOM 681 CB LEU A 92 -20.081 12.206 -3.430 1.00 28.09 C ATOM 682 CG LEU A 92 -18.846 12.517 -4.288 1.00 27.99 C ATOM 683 CD1 LEU A 92 -18.882 11.809 -5.632 1.00 27.90 C ATOM 684 CD2 LEU A 92 -18.655 14.009 -4.462 1.00 27.48 C ATOM 0 H LEU A 92 -18.512 11.504 -1.370 1.00 26.42 H new ATOM 0 HA LEU A 92 -20.168 13.589 -1.927 1.00 30.80 H new ATOM 0 HB2 LEU A 92 -20.230 11.248 -3.466 1.00 28.09 H new ATOM 0 HB3 LEU A 92 -20.845 12.628 -3.853 1.00 28.09 H new ATOM 0 HG LEU A 92 -18.079 12.171 -3.806 1.00 27.99 H new ATOM 0 HD11 LEU A 92 -18.085 12.034 -6.138 1.00 27.90 H new ATOM 0 HD12 LEU A 92 -18.915 10.850 -5.492 1.00 27.90 H new ATOM 0 HD13 LEU A 92 -19.668 12.091 -6.125 1.00 27.90 H new ATOM 0 HD21 LEU A 92 -17.869 14.174 -5.007 1.00 27.48 H new ATOM 0 HD22 LEU A 92 -19.435 14.387 -4.898 1.00 27.48 H new ATOM 0 HD23 LEU A 92 -18.538 14.424 -3.593 1.00 27.48 H new ATOM 685 N ASN A 93 -22.376 12.788 -1.089 1.00 29.71 N ATOM 686 CA ASN A 93 -23.632 12.232 -0.560 1.00 32.57 C ATOM 687 C ASN A 93 -23.420 11.739 0.863 1.00 31.13 C ATOM 688 O ASN A 93 -23.715 10.600 1.139 1.00 30.82 O ATOM 689 CB ASN A 93 -24.127 11.015 -1.391 1.00 29.68 C ATOM 690 CG ASN A 93 -24.255 11.333 -2.855 1.00 32.08 C ATOM 691 OD1 ASN A 93 -25.088 12.168 -3.258 1.00 34.01 O ATOM 692 ND2 ASN A 93 -23.408 10.715 -3.665 1.00 27.29 N ATOM 0 H ASN A 93 -22.414 13.617 -1.313 1.00 29.71 H new ATOM 0 HA ASN A 93 -24.290 12.944 -0.601 1.00 32.57 H new ATOM 0 HB2 ASN A 93 -23.510 10.276 -1.276 1.00 29.68 H new ATOM 0 HB3 ASN A 93 -24.987 10.722 -1.050 1.00 29.68 H new ATOM 0 HD21 ASN A 93 -23.418 10.884 -4.508 1.00 27.29 H new ATOM 0 HD22 ASN A 93 -22.848 10.145 -3.348 1.00 27.29 H new ATOM 693 N GLN A 94 -22.838 12.570 1.716 1.00 32.68 N ATOM 694 CA GLN A 94 -22.629 12.267 3.137 1.00 33.71 C ATOM 695 C GLN A 94 -23.748 13.002 3.844 1.00 32.05 C ATOM 696 O GLN A 94 -23.723 14.247 3.952 1.00 27.02 O ATOM 697 CB GLN A 94 -21.243 12.764 3.616 1.00 35.05 C ATOM 698 CG GLN A 94 -20.087 12.078 2.923 1.00 40.07 C ATOM 699 CD GLN A 94 -20.276 10.558 2.794 1.00 45.20 C ATOM 700 OE1 GLN A 94 -20.848 9.934 3.668 1.00 53.30 O ATOM 701 NE2 GLN A 94 -19.779 9.969 1.710 1.00 48.12 N ATOM 0 H GLN A 94 -22.545 13.345 1.486 1.00 32.68 H new ATOM 0 HA GLN A 94 -22.642 11.314 3.317 1.00 33.71 H new ATOM 0 HB2 GLN A 94 -21.180 13.720 3.466 1.00 35.05 H new ATOM 0 HB3 GLN A 94 -21.169 12.622 4.573 1.00 35.05 H new ATOM 0 HG2 GLN A 94 -19.974 12.460 2.039 1.00 40.07 H new ATOM 0 HG3 GLN A 94 -19.270 12.256 3.415 1.00 40.07 H new ATOM 0 HE21 GLN A 94 -19.380 10.439 1.110 1.00 48.12 H new ATOM 0 HE22 GLN A 94 -19.857 9.119 1.609 1.00 48.12 H new ATOM 702 N TYR A 95 -24.786 12.240 4.230 1.00 31.92 N ATOM 703 CA TYR A 95 -26.027 12.839 4.797 1.00 36.41 C ATOM 704 C TYR A 95 -26.598 14.029 4.026 1.00 33.16 C ATOM 705 O TYR A 95 -26.920 15.035 4.635 1.00 29.75 O ATOM 706 CB TYR A 95 -25.813 13.202 6.261 1.00 37.76 C ATOM 707 CG TYR A 95 -25.431 11.987 7.042 1.00 45.53 C ATOM 708 CD1 TYR A 95 -24.089 11.633 7.201 1.00 48.20 C ATOM 709 CD2 TYR A 95 -26.410 11.159 7.597 1.00 52.46 C ATOM 710 CE1 TYR A 95 -23.722 10.497 7.907 1.00 56.72 C ATOM 711 CE2 TYR A 95 -26.060 10.013 8.316 1.00 60.77 C ATOM 712 CZ TYR A 95 -24.711 9.687 8.469 1.00 61.83 C ATOM 713 OH TYR A 95 -24.335 8.556 9.170 1.00 68.07 O ATOM 0 H TYR A 95 -24.798 11.382 4.175 1.00 31.92 H new ATOM 0 HA TYR A 95 -26.702 12.147 4.711 1.00 36.41 H new ATOM 0 HB2 TYR A 95 -25.118 13.875 6.336 1.00 37.76 H new ATOM 0 HB3 TYR A 95 -26.624 13.589 6.627 1.00 37.76 H new ATOM 0 HD1 TYR A 95 -23.429 12.170 6.826 1.00 48.20 H new ATOM 0 HD2 TYR A 95 -27.308 11.374 7.486 1.00 52.46 H new ATOM 0 HE1 TYR A 95 -22.824 10.276 8.005 1.00 56.72 H new ATOM 0 HE2 TYR A 95 -26.719 9.473 8.689 1.00 60.77 H new ATOM 0 HH TYR A 95 -25.020 8.162 9.454 1.00 68.07 H new ATOM 714 N GLY A 96 -26.691 13.885 2.686 1.00 37.76 N ATOM 715 CA GLY A 96 -27.341 14.838 1.762 1.00 38.51 C ATOM 716 C GLY A 96 -26.398 15.932 1.280 1.00 42.90 C ATOM 717 O GLY A 96 -26.811 16.834 0.559 1.00 45.23 O ATOM 0 H GLY A 96 -26.364 13.202 2.278 1.00 37.76 H new ATOM 0 HA2 GLY A 96 -27.686 14.354 0.996 1.00 38.51 H new ATOM 0 HA3 GLY A 96 -28.101 15.245 2.206 1.00 38.51 H new ATOM 718 N LYS A 97 -25.129 15.862 1.685 1.00 40.49 N ATOM 719 CA LYS A 97 -24.147 16.848 1.260 1.00 39.96 C ATOM 720 C LYS A 97 -22.994 16.214 0.510 1.00 39.40 C ATOM 721 O LYS A 97 -22.738 14.992 0.605 1.00 38.27 O ATOM 722 CB LYS A 97 -23.579 17.593 2.462 1.00 40.73 C ATOM 723 CG LYS A 97 -24.569 18.363 3.304 1.00 48.40 C ATOM 724 CD LYS A 97 -25.375 19.285 2.432 1.00 50.80 C ATOM 725 CE LYS A 97 -25.988 20.377 3.275 1.00 65.24 C ATOM 726 NZ LYS A 97 -26.678 21.334 2.357 1.00 69.72 N ATOM 0 H LYS A 97 -24.821 15.251 2.205 1.00 40.49 H new ATOM 0 HA LYS A 97 -24.611 17.461 0.669 1.00 39.96 H new ATOM 0 HB2 LYS A 97 -23.129 16.951 3.033 1.00 40.73 H new ATOM 0 HB3 LYS A 97 -22.903 18.212 2.144 1.00 40.73 H new ATOM 0 HG2 LYS A 97 -25.158 17.748 3.769 1.00 48.40 H new ATOM 0 HG3 LYS A 97 -24.100 18.874 3.982 1.00 48.40 H new ATOM 0 HD2 LYS A 97 -24.809 19.673 1.746 1.00 50.80 H new ATOM 0 HD3 LYS A 97 -26.071 18.787 1.976 1.00 50.80 H new ATOM 0 HE2 LYS A 97 -26.618 20.002 3.910 1.00 65.24 H new ATOM 0 HE3 LYS A 97 -25.304 20.833 3.789 1.00 65.24 H new ATOM 0 HZ1 LYS A 97 -27.048 21.988 2.833 1.00 69.72 H new ATOM 0 HZ2 LYS A 97 -26.087 21.679 1.789 1.00 69.72 H new ATOM 0 HZ3 LYS A 97 -27.311 20.905 1.902 1.00 69.72 H new ATOM 727 N ASP A 98 -22.330 17.061 -0.265 1.00 36.23 N ATOM 728 CA ASP A 98 -21.029 16.748 -0.848 1.00 33.37 C ATOM 729 C ASP A 98 -20.051 17.666 -0.085 1.00 30.38 C ATOM 730 O ASP A 98 -20.371 18.853 0.194 1.00 28.61 O ATOM 731 CB ASP A 98 -21.017 17.052 -2.362 1.00 33.37 C ATOM 732 CG ASP A 98 -21.750 15.997 -3.220 1.00 36.62 C ATOM 733 OD1 ASP A 98 -22.261 15.031 -2.624 1.00 39.09 O ATOM 734 OD2 ASP A 98 -21.762 16.105 -4.504 1.00 37.60 O ATOM 0 H ASP A 98 -22.624 17.843 -0.471 1.00 36.23 H new ATOM 0 HA ASP A 98 -20.796 15.810 -0.767 1.00 33.37 H new ATOM 0 HB2 ASP A 98 -21.426 17.919 -2.512 1.00 33.37 H new ATOM 0 HB3 ASP A 98 -20.097 17.117 -2.662 1.00 33.37 H new ATOM 735 N TYR A 99 -18.891 17.102 0.262 1.00 31.31 N ATOM 736 CA TYR A 99 -17.756 17.854 0.870 1.00 32.81 C ATOM 737 C TYR A 99 -16.535 17.869 -0.026 1.00 32.53 C ATOM 738 O TYR A 99 -16.065 16.779 -0.435 1.00 32.54 O ATOM 739 CB TYR A 99 -17.371 17.245 2.225 1.00 36.14 C ATOM 740 CG TYR A 99 -18.494 17.339 3.165 1.00 35.76 C ATOM 741 CD1 TYR A 99 -18.691 18.498 3.881 1.00 39.46 C ATOM 742 CD2 TYR A 99 -19.441 16.314 3.250 1.00 37.98 C ATOM 743 CE1 TYR A 99 -19.772 18.631 4.734 1.00 43.75 C ATOM 744 CE2 TYR A 99 -20.527 16.429 4.107 1.00 41.31 C ATOM 745 CZ TYR A 99 -20.673 17.596 4.847 1.00 40.48 C ATOM 746 OH TYR A 99 -21.700 17.784 5.696 1.00 45.71 O ATOM 0 H TYR A 99 -18.728 16.264 0.155 1.00 31.31 H new ATOM 0 HA TYR A 99 -18.059 18.768 0.989 1.00 32.81 H new ATOM 0 HB2 TYR A 99 -17.116 16.316 2.108 1.00 36.14 H new ATOM 0 HB3 TYR A 99 -16.599 17.708 2.587 1.00 36.14 H new ATOM 0 HD1 TYR A 99 -18.089 19.201 3.790 1.00 39.46 H new ATOM 0 HD2 TYR A 99 -19.343 15.550 2.729 1.00 37.98 H new ATOM 0 HE1 TYR A 99 -19.889 19.411 5.226 1.00 43.75 H new ATOM 0 HE2 TYR A 99 -21.145 15.738 4.184 1.00 41.31 H new ATOM 0 HH TYR A 99 -22.192 17.103 5.696 1.00 45.71 H new ATOM 747 N ILE A 100 -16.047 19.073 -0.346 1.00 28.18 N ATOM 748 CA ILE A 100 -14.866 19.203 -1.202 1.00 27.01 C ATOM 749 C ILE A 100 -13.803 20.090 -0.572 1.00 28.35 C ATOM 750 O ILE A 100 -14.129 21.035 0.220 1.00 27.88 O ATOM 751 CB ILE A 100 -15.219 19.682 -2.657 1.00 26.14 C ATOM 752 CG1 ILE A 100 -15.510 21.185 -2.696 1.00 24.71 C ATOM 753 CG2 ILE A 100 -16.302 18.788 -3.294 1.00 20.87 C ATOM 754 CD1 ILE A 100 -15.713 21.716 -4.092 1.00 23.87 C ATOM 0 H ILE A 100 -16.383 19.819 -0.080 1.00 28.18 H new ATOM 0 HA ILE A 100 -14.495 18.310 -1.284 1.00 27.01 H new ATOM 0 HB ILE A 100 -14.441 19.569 -3.225 1.00 26.14 H new ATOM 0 HG12 ILE A 100 -16.303 21.369 -2.168 1.00 24.71 H new ATOM 0 HG13 ILE A 100 -14.775 21.661 -2.279 1.00 24.71 H new ATOM 0 HG21 ILE A 100 -16.499 19.106 -4.189 1.00 20.87 H new ATOM 0 HG22 ILE A 100 -15.981 17.874 -3.340 1.00 20.87 H new ATOM 0 HG23 ILE A 100 -17.108 18.821 -2.755 1.00 20.87 H new ATOM 0 HD11 ILE A 100 -15.893 22.668 -4.053 1.00 23.87 H new ATOM 0 HD12 ILE A 100 -14.913 21.560 -4.617 1.00 23.87 H new ATOM 0 HD13 ILE A 100 -16.464 21.262 -4.505 1.00 23.87 H new ATOM 755 N ASP A 101 -12.545 19.778 -0.895 1.00 25.94 N ATOM 756 CA ASP A 101 -11.412 20.648 -0.475 1.00 25.11 C ATOM 757 C ASP A 101 -10.190 20.435 -1.370 1.00 22.93 C ATOM 758 O ASP A 101 -10.095 19.435 -2.095 1.00 22.10 O ATOM 759 CB ASP A 101 -11.012 20.413 1.004 1.00 23.76 C ATOM 760 CG ASP A 101 -10.344 19.040 1.203 1.00 26.48 C ATOM 761 OD1 ASP A 101 -9.143 18.823 0.902 1.00 25.07 O ATOM 762 OD2 ASP A 101 -11.022 18.126 1.647 1.00 28.23 O ATOM 0 H ASP A 101 -12.318 19.083 -1.348 1.00 25.94 H new ATOM 0 HA ASP A 101 -11.721 21.563 -0.566 1.00 25.11 H new ATOM 0 HB2 ASP A 101 -10.405 21.113 1.290 1.00 23.76 H new ATOM 0 HB3 ASP A 101 -11.800 20.474 1.566 1.00 23.76 H new ATOM 763 N ILE A 102 -9.286 21.413 -1.335 1.00 22.18 N ATOM 764 CA ILE A 102 -7.926 21.233 -1.816 1.00 23.35 C ATOM 765 C ILE A 102 -6.986 21.095 -0.620 1.00 23.11 C ATOM 766 O ILE A 102 -7.132 21.783 0.385 1.00 24.72 O ATOM 767 CB ILE A 102 -7.493 22.373 -2.742 1.00 26.12 C ATOM 768 CG1 ILE A 102 -8.307 22.220 -4.051 1.00 25.05 C ATOM 769 CG2 ILE A 102 -5.967 22.297 -2.993 1.00 23.31 C ATOM 770 CD1 ILE A 102 -8.158 23.391 -4.990 1.00 27.52 C ATOM 0 H ILE A 102 -9.449 22.200 -1.030 1.00 22.18 H new ATOM 0 HA ILE A 102 -7.887 20.422 -2.347 1.00 23.35 H new ATOM 0 HB ILE A 102 -7.666 23.243 -2.350 1.00 26.12 H new ATOM 0 HG12 ILE A 102 -8.025 21.411 -4.506 1.00 25.05 H new ATOM 0 HG13 ILE A 102 -9.245 22.109 -3.830 1.00 25.05 H new ATOM 0 HG21 ILE A 102 -5.699 23.021 -3.580 1.00 23.31 H new ATOM 0 HG22 ILE A 102 -5.496 22.374 -2.149 1.00 23.31 H new ATOM 0 HG23 ILE A 102 -5.749 21.448 -3.408 1.00 23.31 H new ATOM 0 HD11 ILE A 102 -8.689 23.236 -5.787 1.00 27.52 H new ATOM 0 HD12 ILE A 102 -8.464 24.200 -4.550 1.00 27.52 H new ATOM 0 HD13 ILE A 102 -7.225 23.491 -5.237 1.00 27.52 H new ATOM 771 N SER A 103 -6.045 20.170 -0.713 1.00 22.71 N ATOM 772 CA SER A 103 -5.108 19.934 0.366 1.00 22.07 C ATOM 773 C SER A 103 -3.689 20.082 -0.118 1.00 20.16 C ATOM 774 O SER A 103 -3.331 19.493 -1.131 1.00 17.64 O ATOM 775 CB SER A 103 -5.357 18.518 0.958 1.00 23.21 C ATOM 776 OG SER A 103 -4.370 18.168 1.920 1.00 25.27 O ATOM 0 H SER A 103 -5.933 19.665 -1.400 1.00 22.71 H new ATOM 0 HA SER A 103 -5.245 20.594 1.063 1.00 22.07 H new ATOM 0 HB2 SER A 103 -6.235 18.489 1.370 1.00 23.21 H new ATOM 0 HB3 SER A 103 -5.358 17.863 0.242 1.00 23.21 H new ATOM 0 HG SER A 103 -4.532 17.401 2.222 1.00 25.27 H new ATOM 777 N ASN A 104 -2.885 20.844 0.631 1.00 21.07 N ATOM 778 CA ASN A 104 -1.398 20.797 0.547 1.00 20.51 C ATOM 779 C ASN A 104 -0.680 19.908 1.565 1.00 20.00 C ATOM 780 O ASN A 104 0.553 19.976 1.711 1.00 20.68 O ATOM 781 CB ASN A 104 -0.822 22.210 0.597 1.00 21.83 C ATOM 782 CG ASN A 104 -1.105 22.984 -0.682 1.00 24.10 C ATOM 783 OD1 ASN A 104 -1.445 24.167 -0.617 1.00 28.36 O ATOM 784 ND2 ASN A 104 -0.986 22.329 -1.834 1.00 18.18 N ATOM 0 H ASN A 104 -3.179 21.409 1.209 1.00 21.07 H new ATOM 0 HA ASN A 104 -1.226 20.371 -0.307 1.00 20.51 H new ATOM 0 HB2 ASN A 104 -1.200 22.686 1.353 1.00 21.83 H new ATOM 0 HB3 ASN A 104 0.136 22.163 0.741 1.00 21.83 H new ATOM 0 HD21 ASN A 104 -1.149 22.731 -2.576 1.00 18.18 H new ATOM 0 HD22 ASN A 104 -0.746 21.503 -1.836 1.00 18.18 H new ATOM 785 N ILE A 105 -1.425 19.044 2.229 1.00 19.04 N ATOM 786 CA ILE A 105 -0.886 18.236 3.324 1.00 20.76 C ATOM 787 C ILE A 105 0.088 17.185 2.775 1.00 21.90 C ATOM 788 O ILE A 105 0.927 16.685 3.518 1.00 21.43 O ATOM 789 CB ILE A 105 -2.046 17.565 4.140 1.00 20.04 C ATOM 790 CG1 ILE A 105 -2.763 18.598 4.997 1.00 21.43 C ATOM 791 CG2 ILE A 105 -1.612 16.341 4.971 1.00 21.19 C ATOM 792 CD1 ILE A 105 -4.219 18.202 5.339 1.00 20.58 C ATOM 0 H ILE A 105 -2.257 18.904 2.063 1.00 19.04 H new ATOM 0 HA ILE A 105 -0.397 18.815 3.929 1.00 20.76 H new ATOM 0 HB ILE A 105 -2.666 17.212 3.483 1.00 20.04 H new ATOM 0 HG12 ILE A 105 -2.267 18.727 5.821 1.00 21.43 H new ATOM 0 HG13 ILE A 105 -2.766 19.449 4.532 1.00 21.43 H new ATOM 0 HG21 ILE A 105 -2.379 15.983 5.445 1.00 21.19 H new ATOM 0 HG22 ILE A 105 -1.250 15.661 4.381 1.00 21.19 H new ATOM 0 HG23 ILE A 105 -0.933 16.608 5.611 1.00 21.19 H new ATOM 0 HD11 ILE A 105 -4.623 18.895 5.884 1.00 20.58 H new ATOM 0 HD12 ILE A 105 -4.727 18.098 4.519 1.00 20.58 H new ATOM 0 HD13 ILE A 105 -4.220 17.364 5.828 1.00 20.58 H new ATOM 793 N LYS A 106 -0.037 16.817 1.493 1.00 23.04 N ATOM 794 CA LYS A 106 0.953 15.932 0.897 1.00 21.32 C ATOM 795 C LYS A 106 1.803 16.705 -0.118 1.00 21.62 C ATOM 796 O LYS A 106 2.291 16.122 -1.124 1.00 20.39 O ATOM 797 CB LYS A 106 0.249 14.742 0.245 1.00 24.82 C ATOM 798 CG LYS A 106 -0.551 13.894 1.207 1.00 29.11 C ATOM 799 CD LYS A 106 0.435 12.996 1.929 1.00 36.76 C ATOM 800 CE LYS A 106 -0.232 11.961 2.803 1.00 40.02 C ATOM 801 NZ LYS A 106 0.918 11.266 3.438 1.00 47.33 N ATOM 0 H LYS A 106 -0.672 17.065 0.969 1.00 23.04 H new ATOM 0 HA LYS A 106 1.547 15.594 1.585 1.00 21.32 H new ATOM 0 HB2 LYS A 106 -0.342 15.070 -0.450 1.00 24.82 H new ATOM 0 HB3 LYS A 106 0.913 14.183 -0.188 1.00 24.82 H new ATOM 0 HG2 LYS A 106 -1.033 14.452 1.837 1.00 29.11 H new ATOM 0 HG3 LYS A 106 -1.212 13.366 0.732 1.00 29.11 H new ATOM 0 HD2 LYS A 106 0.993 12.547 1.275 1.00 36.76 H new ATOM 0 HD3 LYS A 106 1.021 13.543 2.475 1.00 36.76 H new ATOM 0 HE2 LYS A 106 -0.813 12.370 3.463 1.00 40.02 H new ATOM 0 HE3 LYS A 106 -0.778 11.350 2.283 1.00 40.02 H new ATOM 0 HZ1 LYS A 106 0.617 10.628 3.980 1.00 47.33 H new ATOM 0 HZ2 LYS A 106 1.430 10.902 2.808 1.00 47.33 H new ATOM 0 HZ3 LYS A 106 1.397 11.852 3.907 1.00 47.33 H new ATOM 802 N GLY A 107 2.014 18.005 0.118 1.00 19.63 N ATOM 803 CA GLY A 107 2.865 18.778 -0.778 1.00 19.10 C ATOM 804 C GLY A 107 2.105 19.385 -1.957 1.00 19.94 C ATOM 805 O GLY A 107 0.890 19.307 -2.066 1.00 18.16 O ATOM 0 H GLY A 107 1.680 18.445 0.777 1.00 19.63 H new ATOM 0 HA2 GLY A 107 3.292 19.489 -0.275 1.00 19.10 H new ATOM 0 HA3 GLY A 107 3.572 18.206 -1.116 1.00 19.10 H new ATOM 806 N PHE A 108 2.847 19.942 -2.884 1.00 20.42 N ATOM 807 CA PHE A 108 2.295 20.666 -4.009 1.00 20.36 C ATOM 808 C PHE A 108 3.148 20.352 -5.218 1.00 20.52 C ATOM 809 O PHE A 108 4.386 20.457 -5.174 1.00 20.61 O ATOM 810 CB PHE A 108 2.327 22.172 -3.691 1.00 20.56 C ATOM 811 CG PHE A 108 1.888 23.066 -4.827 1.00 21.30 C ATOM 812 CD1 PHE A 108 2.783 23.429 -5.842 1.00 20.96 C ATOM 813 CD2 PHE A 108 0.592 23.551 -4.859 1.00 21.68 C ATOM 814 CE1 PHE A 108 2.383 24.227 -6.883 1.00 23.45 C ATOM 815 CE2 PHE A 108 0.172 24.366 -5.892 1.00 23.40 C ATOM 816 CZ PHE A 108 1.057 24.713 -6.908 1.00 24.70 C ATOM 0 H PHE A 108 3.706 19.911 -2.881 1.00 20.42 H new ATOM 0 HA PHE A 108 1.376 20.409 -4.185 1.00 20.36 H new ATOM 0 HB2 PHE A 108 1.757 22.340 -2.924 1.00 20.56 H new ATOM 0 HB3 PHE A 108 3.230 22.417 -3.433 1.00 20.56 H new ATOM 0 HD1 PHE A 108 3.661 23.124 -5.809 1.00 20.96 H new ATOM 0 HD2 PHE A 108 -0.001 23.326 -4.179 1.00 21.68 H new ATOM 0 HE1 PHE A 108 2.977 24.445 -7.564 1.00 23.45 H new ATOM 0 HE2 PHE A 108 -0.702 24.683 -5.908 1.00 23.40 H new ATOM 0 HZ PHE A 108 0.776 25.264 -7.602 1.00 24.70 H new ATOM 817 N ASN A 109 2.483 19.982 -6.310 1.00 19.80 N ATOM 818 CA ASN A 109 3.176 19.794 -7.573 1.00 19.97 C ATOM 819 C ASN A 109 2.604 20.674 -8.687 1.00 20.63 C ATOM 820 O ASN A 109 3.348 21.328 -9.352 1.00 20.70 O ATOM 821 CB ASN A 109 3.315 18.326 -7.958 1.00 17.90 C ATOM 822 CG ASN A 109 1.968 17.639 -8.301 1.00 21.07 C ATOM 823 OD1 ASN A 109 1.988 16.643 -9.052 1.00 22.09 O ATOM 824 ND2 ASN A 109 0.830 18.124 -7.769 1.00 18.34 N ATOM 0 H ASN A 109 1.636 19.836 -6.337 1.00 19.80 H new ATOM 0 HA ASN A 109 4.085 20.104 -7.440 1.00 19.97 H new ATOM 0 HB2 ASN A 109 3.908 18.255 -8.722 1.00 17.90 H new ATOM 0 HB3 ASN A 109 3.736 17.847 -7.227 1.00 17.90 H new ATOM 0 HD21 ASN A 109 0.078 17.745 -7.943 1.00 18.34 H new ATOM 0 HD22 ASN A 109 0.855 18.813 -7.255 1.00 18.34 H new ATOM 825 N VAL A 110 1.283 20.770 -8.812 1.00 21.54 N ATOM 826 CA VAL A 110 0.666 21.500 -9.945 1.00 20.91 C ATOM 827 C VAL A 110 -0.378 22.416 -9.312 1.00 21.05 C ATOM 828 O VAL A 110 -1.039 21.955 -8.359 1.00 21.45 O ATOM 829 CB VAL A 110 -0.010 20.449 -10.904 1.00 20.61 C ATOM 830 CG1 VAL A 110 -0.837 21.102 -12.009 1.00 20.45 C ATOM 831 CG2 VAL A 110 1.075 19.515 -11.496 1.00 19.45 C ATOM 0 H VAL A 110 0.720 20.425 -8.260 1.00 21.54 H new ATOM 0 HA VAL A 110 1.304 22.012 -10.467 1.00 20.91 H new ATOM 0 HB VAL A 110 -0.634 19.927 -10.376 1.00 20.61 H new ATOM 0 HG11 VAL A 110 -1.230 20.414 -12.569 1.00 20.45 H new ATOM 0 HG12 VAL A 110 -1.542 21.637 -11.612 1.00 20.45 H new ATOM 0 HG13 VAL A 110 -0.265 21.670 -12.549 1.00 20.45 H new ATOM 0 HG21 VAL A 110 0.658 18.868 -12.086 1.00 19.45 H new ATOM 0 HG22 VAL A 110 1.718 20.042 -11.996 1.00 19.45 H new ATOM 0 HG23 VAL A 110 1.529 19.050 -10.776 1.00 19.45 H new ATOM 832 N PRO A 111 -0.539 23.699 -9.805 1.00 21.58 N ATOM 833 CA PRO A 111 -1.637 24.502 -9.283 1.00 20.87 C ATOM 834 C PRO A 111 -2.987 23.924 -9.768 1.00 22.32 C ATOM 835 O PRO A 111 -3.045 23.253 -10.842 1.00 20.62 O ATOM 836 CB PRO A 111 -1.383 25.885 -9.854 1.00 21.30 C ATOM 837 CG PRO A 111 -0.505 25.686 -10.996 1.00 21.35 C ATOM 838 CD PRO A 111 0.268 24.449 -10.793 1.00 20.79 C ATOM 0 HA PRO A 111 -1.681 24.515 -8.314 1.00 20.87 H new ATOM 0 HB2 PRO A 111 -2.213 26.309 -10.123 1.00 21.30 H new ATOM 0 HB3 PRO A 111 -0.970 26.464 -9.194 1.00 21.30 H new ATOM 0 HG2 PRO A 111 -1.025 25.626 -11.813 1.00 21.35 H new ATOM 0 HG3 PRO A 111 0.093 26.443 -11.095 1.00 21.35 H new ATOM 0 HD2 PRO A 111 0.373 23.953 -11.620 1.00 20.79 H new ATOM 0 HD3 PRO A 111 1.160 24.635 -10.459 1.00 20.79 H new ATOM 839 N MET A 112 -4.051 24.163 -8.998 1.00 21.22 N ATOM 840 CA MET A 112 -5.322 23.483 -9.242 1.00 22.21 C ATOM 841 C MET A 112 -6.470 24.387 -8.822 1.00 24.42 C ATOM 842 O MET A 112 -6.332 25.086 -7.829 1.00 27.00 O ATOM 843 CB MET A 112 -5.311 22.211 -8.419 1.00 22.83 C ATOM 844 CG MET A 112 -6.581 21.476 -8.306 1.00 27.84 C ATOM 845 SD MET A 112 -6.408 20.172 -7.081 1.00 34.35 S ATOM 846 CE MET A 112 -5.382 18.995 -8.005 1.00 28.71 C ATOM 0 H MET A 112 -4.057 24.711 -8.335 1.00 21.22 H new ATOM 0 HA MET A 112 -5.438 23.273 -10.182 1.00 22.21 H new ATOM 0 HB2 MET A 112 -4.649 21.612 -8.799 1.00 22.83 H new ATOM 0 HB3 MET A 112 -5.011 22.434 -7.524 1.00 22.83 H new ATOM 0 HG2 MET A 112 -7.295 22.081 -8.051 1.00 27.84 H new ATOM 0 HG3 MET A 112 -6.824 21.097 -9.165 1.00 27.84 H new ATOM 0 HE1 MET A 112 -5.804 18.121 -7.996 1.00 28.71 H new ATOM 0 HE2 MET A 112 -5.287 19.298 -8.921 1.00 28.71 H new ATOM 0 HE3 MET A 112 -4.506 18.935 -7.592 1.00 28.71 H new ATOM 847 N ASN A 113 -7.589 24.352 -9.560 1.00 22.54 N ATOM 848 CA ASN A 113 -8.837 24.940 -9.160 1.00 20.47 C ATOM 849 C ASN A 113 -9.852 23.770 -9.066 1.00 23.13 C ATOM 850 O ASN A 113 -9.858 22.889 -9.928 1.00 22.87 O ATOM 851 CB ASN A 113 -9.311 25.917 -10.214 1.00 20.99 C ATOM 852 CG ASN A 113 -10.676 26.481 -9.895 1.00 22.07 C ATOM 853 OD1 ASN A 113 -10.765 27.458 -9.217 1.00 23.56 O ATOM 854 ND2 ASN A 113 -11.747 25.786 -10.291 1.00 24.29 N ATOM 0 H ASN A 113 -7.626 23.969 -10.329 1.00 22.54 H new ATOM 0 HA ASN A 113 -8.746 25.416 -8.320 1.00 20.47 H new ATOM 0 HB2 ASN A 113 -8.672 26.643 -10.290 1.00 20.99 H new ATOM 0 HB3 ASN A 113 -9.340 25.472 -11.076 1.00 20.99 H new ATOM 0 HD21 ASN A 113 -12.535 26.040 -10.057 1.00 24.29 H new ATOM 0 HD22 ASN A 113 -11.648 25.085 -10.780 1.00 24.29 H new ATOM 855 N PHE A 114 -10.724 23.783 -8.054 1.00 20.96 N ATOM 856 CA PHE A 114 -11.687 22.701 -7.829 1.00 21.27 C ATOM 857 C PHE A 114 -13.053 23.352 -7.559 1.00 21.79 C ATOM 858 O PHE A 114 -13.259 23.902 -6.473 1.00 20.61 O ATOM 859 CB PHE A 114 -11.217 21.852 -6.636 1.00 19.46 C ATOM 860 CG PHE A 114 -12.056 20.624 -6.350 1.00 20.31 C ATOM 861 CD1 PHE A 114 -13.060 20.162 -7.248 1.00 21.68 C ATOM 862 CD2 PHE A 114 -11.836 19.902 -5.162 1.00 22.19 C ATOM 863 CE1 PHE A 114 -13.785 18.984 -6.978 1.00 22.03 C ATOM 864 CE2 PHE A 114 -12.569 18.738 -4.860 1.00 22.06 C ATOM 865 CZ PHE A 114 -13.537 18.283 -5.782 1.00 23.01 C ATOM 0 H PHE A 114 -10.773 24.420 -7.478 1.00 20.96 H new ATOM 0 HA PHE A 114 -11.758 22.114 -8.598 1.00 21.27 H new ATOM 0 HB2 PHE A 114 -10.303 21.571 -6.797 1.00 19.46 H new ATOM 0 HB3 PHE A 114 -11.207 22.411 -5.843 1.00 19.46 H new ATOM 0 HD1 PHE A 114 -13.240 20.644 -8.023 1.00 21.68 H new ATOM 0 HD2 PHE A 114 -11.191 20.201 -4.562 1.00 22.19 H new ATOM 0 HE1 PHE A 114 -14.420 18.673 -7.583 1.00 22.03 H new ATOM 0 HE2 PHE A 114 -12.418 18.277 -4.067 1.00 22.06 H new ATOM 0 HZ PHE A 114 -14.018 17.509 -5.597 1.00 23.01 H new ATOM 866 N SER A 115 -13.948 23.324 -8.551 1.00 22.12 N ATOM 867 CA SER A 115 -15.224 24.120 -8.579 1.00 24.04 C ATOM 868 C SER A 115 -16.400 23.224 -8.940 1.00 27.31 C ATOM 869 O SER A 115 -16.209 22.269 -9.687 1.00 26.87 O ATOM 870 CB SER A 115 -15.169 25.219 -9.619 1.00 21.00 C ATOM 871 OG SER A 115 -14.117 26.059 -9.205 1.00 26.19 O ATOM 0 H SER A 115 -13.843 22.835 -9.251 1.00 22.12 H new ATOM 0 HA SER A 115 -15.333 24.503 -7.695 1.00 24.04 H new ATOM 0 HB2 SER A 115 -15.003 24.858 -10.504 1.00 21.00 H new ATOM 0 HB3 SER A 115 -16.008 25.703 -9.663 1.00 21.00 H new ATOM 0 HG SER A 115 -14.202 26.813 -9.565 1.00 26.19 H new ATOM 872 N PRO A 116 -17.613 23.533 -8.400 1.00 30.53 N ATOM 873 CA PRO A 116 -18.822 22.879 -8.902 1.00 30.60 C ATOM 874 C PRO A 116 -19.193 23.456 -10.256 1.00 31.42 C ATOM 875 O PRO A 116 -18.892 24.612 -10.525 1.00 30.22 O ATOM 876 CB PRO A 116 -19.874 23.252 -7.867 1.00 32.10 C ATOM 877 CG PRO A 116 -19.360 24.555 -7.261 1.00 33.42 C ATOM 878 CD PRO A 116 -17.889 24.350 -7.194 1.00 29.21 C ATOM 0 HA PRO A 116 -18.724 21.921 -9.019 1.00 30.60 H new ATOM 0 HB2 PRO A 116 -20.746 23.371 -8.275 1.00 32.10 H new ATOM 0 HB3 PRO A 116 -19.968 22.561 -7.193 1.00 32.10 H new ATOM 0 HG2 PRO A 116 -19.589 25.320 -7.812 1.00 33.42 H new ATOM 0 HG3 PRO A 116 -19.739 24.714 -6.382 1.00 33.42 H new ATOM 0 HD2 PRO A 116 -17.408 25.192 -7.212 1.00 29.21 H new ATOM 0 HD3 PRO A 116 -17.627 23.891 -6.381 1.00 29.21 H new ATOM 879 N THR A 117 -19.811 22.635 -11.098 1.00 34.02 N ATOM 880 CA THR A 117 -20.366 23.063 -12.381 1.00 34.12 C ATOM 881 C THR A 117 -21.871 23.163 -12.267 1.00 38.95 C ATOM 882 O THR A 117 -22.524 23.613 -13.186 1.00 42.69 O ATOM 883 CB THR A 117 -20.092 22.043 -13.472 1.00 33.54 C ATOM 884 OG1 THR A 117 -20.571 20.761 -13.043 1.00 32.86 O ATOM 885 CG2 THR A 117 -18.559 21.994 -13.827 1.00 34.49 C ATOM 0 H THR A 117 -19.922 21.797 -10.938 1.00 34.02 H new ATOM 0 HA THR A 117 -19.955 23.913 -12.603 1.00 34.12 H new ATOM 0 HB THR A 117 -20.561 22.302 -14.281 1.00 33.54 H new ATOM 0 HG1 THR A 117 -20.424 20.192 -13.643 1.00 32.86 H new ATOM 0 HG21 THR A 117 -18.409 21.337 -14.525 1.00 34.49 H new ATOM 0 HG22 THR A 117 -18.271 22.866 -14.138 1.00 34.49 H new ATOM 0 HG23 THR A 117 -18.052 21.748 -13.038 1.00 34.49 H new ATOM 886 N THR A 118 -22.406 22.728 -11.129 1.00 43.50 N ATOM 887 CA THR A 118 -23.831 22.893 -10.749 1.00 42.56 C ATOM 888 C THR A 118 -23.919 23.989 -9.668 1.00 45.54 C ATOM 889 O THR A 118 -22.875 24.495 -9.240 1.00 44.78 O ATOM 890 CB THR A 118 -24.461 21.526 -10.363 1.00 36.76 C ATOM 891 OG1 THR A 118 -23.687 20.874 -9.324 1.00 38.38 O ATOM 892 CG2 THR A 118 -24.528 20.591 -11.617 1.00 37.21 C ATOM 0 H THR A 118 -21.945 22.315 -10.532 1.00 43.50 H new ATOM 0 HA THR A 118 -24.368 23.195 -11.498 1.00 42.56 H new ATOM 0 HB THR A 118 -25.357 21.693 -10.030 1.00 36.76 H new ATOM 0 HG1 THR A 118 -24.207 20.513 -8.772 1.00 38.38 H new ATOM 0 HG21 THR A 118 -24.922 19.741 -11.366 1.00 37.21 H new ATOM 0 HG22 THR A 118 -25.071 21.009 -12.304 1.00 37.21 H new ATOM 0 HG23 THR A 118 -23.632 20.443 -11.959 1.00 37.21 H new ATOM 893 N ARG A 119 -25.127 24.394 -9.252 1.00 54.88 N ATOM 894 CA ARG A 119 -25.294 25.518 -8.273 1.00 66.18 C ATOM 895 C ARG A 119 -25.172 25.117 -6.787 1.00 63.32 C ATOM 896 O ARG A 119 -25.242 23.928 -6.445 1.00 71.21 O ATOM 897 CB ARG A 119 -26.636 26.290 -8.414 1.00 83.77 C ATOM 898 CG ARG A 119 -27.428 26.210 -9.715 1.00 99.56 C ATOM 899 CD ARG A 119 -28.931 26.484 -9.497 1.00102.72 C ATOM 900 NE ARG A 119 -29.299 27.910 -9.526 1.00101.77 N ATOM 901 CZ ARG A 119 -29.323 28.680 -10.622 1.00104.99 C ATOM 902 NH1 ARG A 119 -28.982 28.198 -11.820 1.00104.16 N ATOM 903 NH2 ARG A 119 -29.672 29.956 -10.520 1.00105.30 N ATOM 0 H ARG A 119 -25.866 24.042 -9.515 1.00 54.88 H new ATOM 0 HA ARG A 119 -24.547 26.087 -8.516 1.00 66.18 H new ATOM 0 HB2 ARG A 119 -27.220 25.986 -7.702 1.00 83.77 H new ATOM 0 HB3 ARG A 119 -26.449 27.227 -8.247 1.00 83.77 H new ATOM 0 HG2 ARG A 119 -27.072 26.852 -10.349 1.00 99.56 H new ATOM 0 HG3 ARG A 119 -27.314 25.330 -10.108 1.00 99.56 H new ATOM 0 HD2 ARG A 119 -29.436 26.017 -10.180 1.00102.72 H new ATOM 0 HD3 ARG A 119 -29.196 26.110 -8.642 1.00102.72 H new ATOM 0 HE ARG A 119 -29.516 28.278 -8.779 1.00101.77 H new ATOM 0 HH11 ARG A 119 -28.740 27.377 -11.900 1.00104.16 H new ATOM 0 HH12 ARG A 119 -29.004 28.709 -12.511 1.00104.16 H new ATOM 0 HH21 ARG A 119 -29.881 30.285 -9.753 1.00105.30 H new ATOM 0 HH22 ARG A 119 -29.689 30.454 -11.221 1.00105.30 H new ATOM 904 N GLY A 120 -25.004 26.122 -5.914 1.00 60.47 N ATOM 905 CA GLY A 120 -25.202 25.952 -4.466 1.00 50.67 C ATOM 906 C GLY A 120 -24.000 26.014 -3.546 1.00 50.88 C ATOM 907 O GLY A 120 -24.169 26.000 -2.328 1.00 62.85 O ATOM 0 H GLY A 120 -24.773 26.918 -6.145 1.00 60.47 H new ATOM 0 HA2 GLY A 120 -25.829 26.633 -4.175 1.00 50.67 H new ATOM 0 HA3 GLY A 120 -25.632 25.093 -4.328 1.00 50.67 H new ATOM 908 N CYS A 121 -22.797 26.033 -4.119 1.00 45.32 N ATOM 909 CA CYS A 121 -21.547 26.272 -3.391 1.00 43.59 C ATOM 910 C CYS A 121 -20.547 26.997 -4.308 1.00 44.17 C ATOM 911 O CYS A 121 -20.812 27.157 -5.490 1.00 54.44 O ATOM 912 CB CYS A 121 -20.982 24.960 -2.845 1.00 39.42 C ATOM 913 SG CYS A 121 -20.967 23.647 -4.095 1.00 39.34 S ATOM 0 H CYS A 121 -22.681 25.904 -4.961 1.00 45.32 H new ATOM 0 HA CYS A 121 -21.720 26.843 -2.626 1.00 43.59 H new ATOM 0 HB2 CYS A 121 -20.079 25.108 -2.523 1.00 39.42 H new ATOM 0 HB3 CYS A 121 -21.511 24.674 -2.084 1.00 39.42 H new ATOM 914 N ARG A 122 -19.424 27.429 -3.754 1.00 45.75 N ATOM 915 CA ARG A 122 -18.315 28.066 -4.471 1.00 45.89 C ATOM 916 C ARG A 122 -17.107 27.119 -4.510 1.00 43.36 C ATOM 917 O ARG A 122 -17.058 26.151 -3.772 1.00 42.82 O ATOM 918 CB ARG A 122 -17.920 29.397 -3.794 1.00 54.55 C ATOM 919 CG ARG A 122 -17.910 29.402 -2.267 1.00 61.51 C ATOM 920 CD ARG A 122 -16.772 28.585 -1.661 1.00 69.91 C ATOM 921 NE ARG A 122 -15.572 29.402 -1.454 1.00 88.08 N ATOM 922 CZ ARG A 122 -14.901 29.506 -0.305 1.00 86.24 C ATOM 923 NH1 ARG A 122 -15.283 28.821 0.764 1.00 85.82 N ATOM 924 NH2 ARG A 122 -13.831 30.290 -0.230 1.00 79.75 N ATOM 0 H ARG A 122 -19.275 27.358 -2.910 1.00 45.75 H new ATOM 0 HA ARG A 122 -18.603 28.257 -5.378 1.00 45.89 H new ATOM 0 HB2 ARG A 122 -17.036 29.646 -4.105 1.00 54.55 H new ATOM 0 HB3 ARG A 122 -18.532 30.086 -4.097 1.00 54.55 H new ATOM 0 HG2 ARG A 122 -17.843 30.318 -1.954 1.00 61.51 H new ATOM 0 HG3 ARG A 122 -18.756 29.054 -1.944 1.00 61.51 H new ATOM 0 HD2 ARG A 122 -17.058 28.209 -0.814 1.00 69.91 H new ATOM 0 HD3 ARG A 122 -16.560 27.840 -2.245 1.00 69.91 H new ATOM 0 HE ARG A 122 -15.277 29.850 -2.126 1.00 88.08 H new ATOM 0 HH11 ARG A 122 -15.969 28.304 0.721 1.00 85.82 H new ATOM 0 HH12 ARG A 122 -14.845 28.894 1.500 1.00 85.82 H new ATOM 0 HH21 ARG A 122 -13.571 30.730 -0.922 1.00 79.75 H new ATOM 0 HH22 ARG A 122 -13.398 30.357 0.510 1.00 79.75 H new ATOM 925 N GLY A 123 -16.135 27.400 -5.377 1.00 42.60 N ATOM 926 CA GLY A 123 -14.954 26.546 -5.534 1.00 33.80 C ATOM 927 C GLY A 123 -13.772 27.018 -4.694 1.00 32.64 C ATOM 928 O GLY A 123 -13.847 28.013 -3.972 1.00 30.43 O ATOM 0 H GLY A 123 -16.140 28.090 -5.891 1.00 42.60 H new ATOM 0 HA2 GLY A 123 -15.181 25.637 -5.284 1.00 33.80 H new ATOM 0 HA3 GLY A 123 -14.695 26.527 -6.469 1.00 33.80 H new ATOM 929 N VAL A 124 -12.673 26.283 -4.802 1.00 29.55 N ATOM 930 CA VAL A 124 -11.464 26.594 -4.098 1.00 26.76 C ATOM 931 C VAL A 124 -10.352 26.398 -5.119 1.00 28.86 C ATOM 932 O VAL A 124 -10.443 25.579 -6.082 1.00 27.64 O ATOM 933 CB VAL A 124 -11.244 25.720 -2.810 1.00 27.67 C ATOM 934 CG1 VAL A 124 -12.277 26.047 -1.733 1.00 29.81 C ATOM 935 CG2 VAL A 124 -11.332 24.228 -3.103 1.00 29.69 C ATOM 0 H VAL A 124 -12.619 25.581 -5.296 1.00 29.55 H new ATOM 0 HA VAL A 124 -11.491 27.500 -3.754 1.00 26.76 H new ATOM 0 HB VAL A 124 -10.351 25.934 -2.497 1.00 27.67 H new ATOM 0 HG11 VAL A 124 -12.117 25.494 -0.952 1.00 29.81 H new ATOM 0 HG12 VAL A 124 -12.203 26.982 -1.487 1.00 29.81 H new ATOM 0 HG13 VAL A 124 -13.168 25.873 -2.075 1.00 29.81 H new ATOM 0 HG21 VAL A 124 -11.191 23.728 -2.284 1.00 29.69 H new ATOM 0 HG22 VAL A 124 -12.209 24.020 -3.461 1.00 29.69 H new ATOM 0 HG23 VAL A 124 -10.652 23.985 -3.751 1.00 29.69 H new ATOM 936 N ARG A 125 -9.281 27.122 -4.882 1.00 26.57 N ATOM 937 CA ARG A 125 -8.199 27.220 -5.824 1.00 28.87 C ATOM 938 C ARG A 125 -6.938 27.280 -4.985 1.00 28.13 C ATOM 939 O ARG A 125 -6.888 27.948 -3.928 1.00 26.16 O ATOM 940 CB ARG A 125 -8.379 28.528 -6.568 1.00 31.88 C ATOM 941 CG ARG A 125 -7.205 28.914 -7.436 1.00 43.92 C ATOM 942 CD ARG A 125 -7.573 30.121 -8.283 1.00 48.00 C ATOM 943 NE ARG A 125 -8.720 29.778 -9.108 1.00 50.74 N ATOM 944 CZ ARG A 125 -8.988 30.299 -10.303 1.00 57.67 C ATOM 945 NH1 ARG A 125 -8.175 31.204 -10.860 1.00 59.67 N ATOM 946 NH2 ARG A 125 -10.073 29.894 -10.956 1.00 49.58 N ATOM 0 H ARG A 125 -9.162 27.575 -4.161 1.00 26.57 H new ATOM 0 HA ARG A 125 -8.164 26.485 -6.456 1.00 28.87 H new ATOM 0 HB2 ARG A 125 -9.172 28.466 -7.123 1.00 31.88 H new ATOM 0 HB3 ARG A 125 -8.538 29.235 -5.924 1.00 31.88 H new ATOM 0 HG2 ARG A 125 -6.435 29.118 -6.883 1.00 43.92 H new ATOM 0 HG3 ARG A 125 -6.955 28.171 -8.007 1.00 43.92 H new ATOM 0 HD2 ARG A 125 -7.782 30.879 -7.715 1.00 48.00 H new ATOM 0 HD3 ARG A 125 -6.823 30.382 -8.841 1.00 48.00 H new ATOM 0 HE ARG A 125 -9.269 29.192 -8.799 1.00 50.74 H new ATOM 0 HH11 ARG A 125 -7.466 31.458 -10.445 1.00 59.67 H new ATOM 0 HH12 ARG A 125 -8.362 31.532 -11.633 1.00 59.67 H new ATOM 0 HH21 ARG A 125 -10.590 29.303 -10.605 1.00 49.58 H new ATOM 0 HH22 ARG A 125 -10.257 30.223 -11.729 1.00 49.58 H new ATOM 947 N CYS A 126 -5.901 26.589 -5.428 1.00 25.80 N ATOM 948 CA CYS A 126 -4.572 26.910 -4.953 1.00 24.25 C ATOM 949 C CYS A 126 -3.720 27.120 -6.202 1.00 24.93 C ATOM 950 O CYS A 126 -3.318 26.148 -6.838 1.00 26.71 O ATOM 951 CB CYS A 126 -4.039 25.817 -4.052 1.00 24.56 C ATOM 952 SG CYS A 126 -2.287 26.027 -3.607 1.00 28.81 S ATOM 0 H CYS A 126 -5.944 25.942 -5.993 1.00 25.80 H new ATOM 0 HA CYS A 126 -4.564 27.711 -4.406 1.00 24.25 H new ATOM 0 HB2 CYS A 126 -4.570 25.790 -3.241 1.00 24.56 H new ATOM 0 HB3 CYS A 126 -4.152 24.961 -4.494 1.00 24.56 H new ATOM 953 N ALA A 127 -3.475 28.377 -6.572 1.00 25.19 N ATOM 954 CA ALA A 127 -2.810 28.660 -7.863 1.00 26.46 C ATOM 955 C ALA A 127 -1.520 29.417 -7.752 1.00 27.87 C ATOM 956 O ALA A 127 -1.042 29.913 -8.755 1.00 38.32 O ATOM 957 CB ALA A 127 -3.764 29.382 -8.813 1.00 23.23 C ATOM 0 H ALA A 127 -3.678 29.072 -6.107 1.00 25.19 H new ATOM 0 HA ALA A 127 -2.573 27.791 -8.222 1.00 26.46 H new ATOM 0 HB1 ALA A 127 -3.312 29.559 -9.653 1.00 23.23 H new ATOM 0 HB2 ALA A 127 -4.542 28.825 -8.976 1.00 23.23 H new ATOM 0 HB3 ALA A 127 -4.045 30.220 -8.414 1.00 23.23 H new ATOM 958 N ALA A 128 -0.959 29.531 -6.552 1.00 28.76 N ATOM 959 CA ALA A 128 0.246 30.339 -6.296 1.00 25.75 C ATOM 960 C ALA A 128 1.420 29.563 -6.771 1.00 26.15 C ATOM 961 O ALA A 128 1.327 28.349 -6.930 1.00 27.62 O ATOM 962 CB ALA A 128 0.369 30.612 -4.815 1.00 24.97 C ATOM 0 H ALA A 128 -1.266 29.139 -5.851 1.00 28.76 H new ATOM 0 HA ALA A 128 0.195 31.189 -6.761 1.00 25.75 H new ATOM 0 HB1 ALA A 128 1.163 31.144 -4.649 1.00 24.97 H new ATOM 0 HB2 ALA A 128 -0.414 31.096 -4.509 1.00 24.97 H new ATOM 0 HB3 ALA A 128 0.437 29.772 -4.335 1.00 24.97 H new ATOM 963 N ASP A 129 2.546 30.239 -6.960 1.00 27.65 N ATOM 964 CA ASP A 129 3.774 29.575 -7.407 1.00 29.88 C ATOM 965 C ASP A 129 4.513 28.903 -6.221 1.00 27.61 C ATOM 966 O ASP A 129 5.609 29.322 -5.851 1.00 26.90 O ATOM 967 CB ASP A 129 4.706 30.611 -8.091 1.00 35.43 C ATOM 968 CG ASP A 129 6.002 29.978 -8.677 1.00 38.49 C ATOM 969 OD1 ASP A 129 6.073 28.741 -8.846 1.00 37.64 O ATOM 970 OD2 ASP A 129 6.961 30.734 -8.974 1.00 45.46 O ATOM 0 H ASP A 129 2.625 31.086 -6.836 1.00 27.65 H new ATOM 0 HA ASP A 129 3.533 28.882 -8.042 1.00 29.88 H new ATOM 0 HB2 ASP A 129 4.219 31.054 -8.803 1.00 35.43 H new ATOM 0 HB3 ASP A 129 4.949 31.293 -7.446 1.00 35.43 H new ATOM 971 N ILE A 130 3.930 27.860 -5.651 1.00 24.86 N ATOM 972 CA ILE A 130 4.519 27.214 -4.504 1.00 23.04 C ATOM 973 C ILE A 130 5.848 26.549 -4.863 1.00 23.62 C ATOM 974 O ILE A 130 6.766 26.612 -4.066 1.00 25.21 O ATOM 975 CB ILE A 130 3.493 26.302 -3.775 1.00 24.20 C ATOM 976 CG1 ILE A 130 2.518 27.210 -3.010 1.00 22.71 C ATOM 977 CG2 ILE A 130 4.205 25.261 -2.889 1.00 21.68 C ATOM 978 CD1 ILE A 130 1.284 26.562 -2.458 1.00 21.51 C ATOM 0 H ILE A 130 3.190 27.513 -5.918 1.00 24.86 H new ATOM 0 HA ILE A 130 4.753 27.887 -3.846 1.00 23.04 H new ATOM 0 HB ILE A 130 2.982 25.775 -4.409 1.00 24.20 H new ATOM 0 HG12 ILE A 130 3.000 27.619 -2.274 1.00 22.71 H new ATOM 0 HG13 ILE A 130 2.244 27.927 -3.603 1.00 22.71 H new ATOM 0 HG21 ILE A 130 3.544 24.706 -2.446 1.00 21.68 H new ATOM 0 HG22 ILE A 130 4.777 24.704 -3.440 1.00 21.68 H new ATOM 0 HG23 ILE A 130 4.743 25.717 -2.222 1.00 21.68 H new ATOM 0 HD11 ILE A 130 0.747 27.227 -1.999 1.00 21.51 H new ATOM 0 HD12 ILE A 130 0.769 26.176 -3.184 1.00 21.51 H new ATOM 0 HD13 ILE A 130 1.537 25.864 -1.834 1.00 21.51 H new ATOM 979 N VAL A 131 5.985 25.932 -6.031 1.00 23.11 N ATOM 980 CA VAL A 131 7.270 25.281 -6.383 1.00 24.42 C ATOM 981 C VAL A 131 8.405 26.343 -6.458 1.00 26.27 C ATOM 982 O VAL A 131 9.555 26.151 -5.966 1.00 26.14 O ATOM 983 CB VAL A 131 7.245 24.545 -7.756 1.00 28.26 C ATOM 984 CG1 VAL A 131 8.588 23.826 -7.986 1.00 25.70 C ATOM 985 CG2 VAL A 131 6.009 23.626 -7.932 1.00 24.74 C ATOM 0 H VAL A 131 5.370 25.873 -6.629 1.00 23.11 H new ATOM 0 HA VAL A 131 7.425 24.626 -5.685 1.00 24.42 H new ATOM 0 HB VAL A 131 7.143 25.209 -8.456 1.00 28.26 H new ATOM 0 HG11 VAL A 131 8.568 23.369 -8.841 1.00 25.70 H new ATOM 0 HG12 VAL A 131 9.308 24.476 -7.984 1.00 25.70 H new ATOM 0 HG13 VAL A 131 8.734 23.179 -7.278 1.00 25.70 H new ATOM 0 HG21 VAL A 131 6.046 23.196 -8.801 1.00 24.74 H new ATOM 0 HG22 VAL A 131 6.007 22.950 -7.237 1.00 24.74 H new ATOM 0 HG23 VAL A 131 5.199 24.157 -7.869 1.00 24.74 H new ATOM 986 N GLY A 132 8.083 27.465 -7.095 1.00 27.48 N ATOM 987 CA GLY A 132 9.021 28.592 -7.192 1.00 26.26 C ATOM 988 C GLY A 132 9.409 29.147 -5.808 1.00 27.71 C ATOM 989 O GLY A 132 10.562 29.484 -5.596 1.00 26.37 O ATOM 0 H GLY A 132 7.326 27.598 -7.480 1.00 27.48 H new ATOM 0 HA2 GLY A 132 9.821 28.305 -7.660 1.00 26.26 H new ATOM 0 HA3 GLY A 132 8.621 29.299 -7.722 1.00 26.26 H new ATOM 990 N GLN A 133 8.451 29.276 -4.884 1.00 26.68 N ATOM 991 CA GLN A 133 8.769 29.882 -3.581 1.00 27.62 C ATOM 992 C GLN A 133 9.236 28.852 -2.561 1.00 25.56 C ATOM 993 O GLN A 133 9.506 29.209 -1.444 1.00 25.63 O ATOM 994 CB GLN A 133 7.565 30.693 -3.016 1.00 27.59 C ATOM 995 CG GLN A 133 7.183 31.990 -3.737 1.00 30.46 C ATOM 996 CD GLN A 133 8.397 32.865 -4.130 1.00 39.31 C ATOM 997 OE1 GLN A 133 9.485 32.811 -3.534 1.00 41.44 O ATOM 998 NE2 GLN A 133 8.221 33.653 -5.168 1.00 50.22 N ATOM 0 H GLN A 133 7.634 29.028 -4.984 1.00 26.68 H new ATOM 0 HA GLN A 133 9.505 30.494 -3.740 1.00 27.62 H new ATOM 0 HB2 GLN A 133 6.788 30.112 -3.014 1.00 27.59 H new ATOM 0 HB3 GLN A 133 7.759 30.911 -2.091 1.00 27.59 H new ATOM 0 HG2 GLN A 133 6.681 31.770 -4.537 1.00 30.46 H new ATOM 0 HG3 GLN A 133 6.594 32.507 -3.165 1.00 30.46 H new ATOM 0 HE21 GLN A 133 7.459 33.675 -5.567 1.00 50.22 H new ATOM 0 HE22 GLN A 133 8.868 34.146 -5.448 1.00 50.22 H new ATOM 999 N CYS A 134 9.321 27.588 -2.942 1.00 24.85 N ATOM 1000 CA CYS A 134 9.415 26.481 -1.984 1.00 27.43 C ATOM 1001 C CYS A 134 10.695 26.576 -1.108 1.00 28.86 C ATOM 1002 O CYS A 134 11.780 26.724 -1.660 1.00 31.19 O ATOM 1003 CB CYS A 134 9.445 25.152 -2.755 1.00 27.87 C ATOM 1004 SG CYS A 134 9.480 23.660 -1.733 1.00 27.34 S ATOM 0 H CYS A 134 9.326 27.340 -3.765 1.00 24.85 H new ATOM 0 HA CYS A 134 8.643 26.530 -1.399 1.00 27.43 H new ATOM 0 HB2 CYS A 134 8.666 25.112 -3.331 1.00 27.87 H new ATOM 0 HB3 CYS A 134 10.225 25.148 -3.332 1.00 27.87 H new ATOM 1005 N PRO A 135 10.582 26.417 0.242 1.00 28.04 N ATOM 1006 CA PRO A 135 11.759 26.426 1.105 1.00 27.97 C ATOM 1007 C PRO A 135 12.677 25.331 0.691 1.00 26.55 C ATOM 1008 O PRO A 135 12.227 24.261 0.252 1.00 27.99 O ATOM 1009 CB PRO A 135 11.183 26.121 2.479 1.00 29.80 C ATOM 1010 CG PRO A 135 9.812 26.678 2.389 1.00 27.49 C ATOM 1011 CD PRO A 135 9.370 26.243 1.042 1.00 26.43 C ATOM 0 HA PRO A 135 12.259 27.256 1.075 1.00 27.97 H new ATOM 0 HB2 PRO A 135 11.174 25.169 2.662 1.00 29.80 H new ATOM 0 HB3 PRO A 135 11.697 26.541 3.186 1.00 29.80 H new ATOM 0 HG2 PRO A 135 9.235 26.330 3.087 1.00 27.49 H new ATOM 0 HG3 PRO A 135 9.809 27.644 2.474 1.00 27.49 H new ATOM 0 HD2 PRO A 135 9.066 25.322 1.041 1.00 26.43 H new ATOM 0 HD3 PRO A 135 8.637 26.784 0.710 1.00 26.43 H new ATOM 1012 N ALA A 136 13.953 25.636 0.796 1.00 26.17 N ATOM 1013 CA ALA A 136 15.024 24.883 0.212 1.00 26.76 C ATOM 1014 C ALA A 136 14.995 23.411 0.630 1.00 29.13 C ATOM 1015 O ALA A 136 15.176 22.517 -0.200 1.00 32.67 O ATOM 1016 CB ALA A 136 16.316 25.532 0.649 1.00 32.43 C ATOM 0 H ALA A 136 14.227 26.324 1.233 1.00 26.17 H new ATOM 0 HA ALA A 136 14.935 24.890 -0.754 1.00 26.76 H new ATOM 0 HB1 ALA A 136 17.066 25.047 0.271 1.00 32.43 H new ATOM 0 HB2 ALA A 136 16.337 26.451 0.340 1.00 32.43 H new ATOM 0 HB3 ALA A 136 16.376 25.515 1.617 1.00 32.43 H new ATOM 1017 N LYS A 137 14.720 23.158 1.905 1.00 31.13 N ATOM 1018 CA LYS A 137 14.613 21.802 2.496 1.00 28.98 C ATOM 1019 C LYS A 137 13.387 21.029 2.049 1.00 26.56 C ATOM 1020 O LYS A 137 13.330 19.792 2.201 1.00 25.84 O ATOM 1021 CB LYS A 137 14.502 21.967 4.013 1.00 35.66 C ATOM 1022 CG LYS A 137 15.761 22.311 4.784 1.00 41.88 C ATOM 1023 CD LYS A 137 16.241 21.046 5.512 1.00 53.59 C ATOM 1024 CE LYS A 137 17.594 21.213 6.196 1.00 59.69 C ATOM 1025 NZ LYS A 137 17.653 22.485 6.982 1.00 60.93 N ATOM 0 H LYS A 137 14.584 23.784 2.479 1.00 31.13 H new ATOM 0 HA LYS A 137 15.395 21.306 2.207 1.00 28.98 H new ATOM 0 HB2 LYS A 137 13.846 22.660 4.190 1.00 35.66 H new ATOM 0 HB3 LYS A 137 14.147 21.141 4.377 1.00 35.66 H new ATOM 0 HG2 LYS A 137 16.448 22.635 4.181 1.00 41.88 H new ATOM 0 HG3 LYS A 137 15.584 23.021 5.421 1.00 41.88 H new ATOM 0 HD2 LYS A 137 15.580 20.793 6.176 1.00 53.59 H new ATOM 0 HD3 LYS A 137 16.297 20.317 4.875 1.00 53.59 H new ATOM 0 HE2 LYS A 137 17.757 20.459 6.784 1.00 59.69 H new ATOM 0 HE3 LYS A 137 18.298 21.209 5.529 1.00 59.69 H new ATOM 0 HZ1 LYS A 137 18.165 22.367 7.700 1.00 60.93 H new ATOM 0 HZ2 LYS A 137 17.997 23.131 6.476 1.00 60.93 H new ATOM 0 HZ3 LYS A 137 16.832 22.714 7.238 1.00 60.93 H new ATOM 1026 N LEU A 138 12.368 21.735 1.552 1.00 24.85 N ATOM 1027 CA LEU A 138 11.134 21.034 1.068 1.00 26.47 C ATOM 1028 C LEU A 138 11.112 20.682 -0.424 1.00 26.60 C ATOM 1029 O LEU A 138 10.228 19.937 -0.863 1.00 29.50 O ATOM 1030 CB LEU A 138 9.825 21.769 1.462 1.00 21.43 C ATOM 1031 CG LEU A 138 9.675 22.030 2.968 1.00 20.11 C ATOM 1032 CD1 LEU A 138 8.397 22.826 3.133 1.00 18.90 C ATOM 1033 CD2 LEU A 138 9.720 20.716 3.803 1.00 19.77 C ATOM 0 H LEU A 138 12.354 22.592 1.481 1.00 24.85 H new ATOM 0 HA LEU A 138 11.175 20.187 1.540 1.00 26.47 H new ATOM 0 HB2 LEU A 138 9.789 22.617 0.992 1.00 21.43 H new ATOM 0 HB3 LEU A 138 9.068 21.244 1.158 1.00 21.43 H new ATOM 0 HG LEU A 138 10.423 22.539 3.318 1.00 20.11 H new ATOM 0 HD11 LEU A 138 8.255 23.019 4.073 1.00 18.90 H new ATOM 0 HD12 LEU A 138 8.468 23.658 2.640 1.00 18.90 H new ATOM 0 HD13 LEU A 138 7.649 22.312 2.792 1.00 18.90 H new ATOM 0 HD21 LEU A 138 9.622 20.927 4.745 1.00 19.77 H new ATOM 0 HD22 LEU A 138 8.997 20.132 3.526 1.00 19.77 H new ATOM 0 HD23 LEU A 138 10.569 20.270 3.659 1.00 19.77 H new ATOM 1034 N LYS A 139 12.085 21.197 -1.175 1.00 26.76 N ATOM 1035 CA LYS A 139 12.152 21.056 -2.642 1.00 27.33 C ATOM 1036 C LYS A 139 12.391 19.650 -3.032 1.00 26.26 C ATOM 1037 O LYS A 139 13.311 19.029 -2.567 1.00 23.41 O ATOM 1038 CB LYS A 139 13.276 21.870 -3.215 1.00 29.52 C ATOM 1039 CG LYS A 139 12.892 23.293 -3.403 1.00 36.82 C ATOM 1040 CD LYS A 139 13.933 23.991 -4.256 1.00 45.16 C ATOM 1041 CE LYS A 139 13.778 25.486 -4.095 1.00 53.35 C ATOM 1042 NZ LYS A 139 15.106 26.156 -4.071 1.00 67.08 N ATOM 0 H LYS A 139 12.739 21.647 -0.845 1.00 26.76 H new ATOM 0 HA LYS A 139 11.299 21.365 -2.986 1.00 27.33 H new ATOM 0 HB2 LYS A 139 14.045 21.818 -2.626 1.00 29.52 H new ATOM 0 HB3 LYS A 139 13.546 21.493 -4.067 1.00 29.52 H new ATOM 0 HG2 LYS A 139 12.022 23.350 -3.828 1.00 36.82 H new ATOM 0 HG3 LYS A 139 12.817 23.734 -2.542 1.00 36.82 H new ATOM 0 HD2 LYS A 139 14.824 23.716 -3.989 1.00 45.16 H new ATOM 0 HD3 LYS A 139 13.826 23.741 -5.187 1.00 45.16 H new ATOM 0 HE2 LYS A 139 13.246 25.840 -4.824 1.00 53.35 H new ATOM 0 HE3 LYS A 139 13.299 25.679 -3.274 1.00 53.35 H new ATOM 0 HZ1 LYS A 139 14.994 27.034 -3.976 1.00 67.08 H new ATOM 0 HZ2 LYS A 139 15.585 25.843 -3.389 1.00 67.08 H new ATOM 0 HZ3 LYS A 139 15.535 25.993 -4.834 1.00 67.08 H new ATOM 1043 N ALA A 140 11.529 19.129 -3.874 1.00 28.98 N ATOM 1044 CA ALA A 140 11.659 17.750 -4.280 1.00 31.52 C ATOM 1045 C ALA A 140 12.454 17.801 -5.578 1.00 37.24 C ATOM 1046 O ALA A 140 12.076 18.563 -6.474 1.00 36.58 O ATOM 1047 CB ALA A 140 10.290 17.104 -4.470 1.00 30.70 C ATOM 0 H ALA A 140 10.865 19.552 -4.221 1.00 28.98 H new ATOM 0 HA ALA A 140 12.106 17.207 -3.612 1.00 31.52 H new ATOM 0 HB1 ALA A 140 10.403 16.180 -4.742 1.00 30.70 H new ATOM 0 HB2 ALA A 140 9.798 17.137 -3.635 1.00 30.70 H new ATOM 0 HB3 ALA A 140 9.798 17.584 -5.154 1.00 30.70 H new ATOM 1048 N PRO A 141 13.565 17.010 -5.685 1.00 43.14 N ATOM 1049 CA PRO A 141 14.356 16.976 -6.924 1.00 45.65 C ATOM 1050 C PRO A 141 13.493 16.807 -8.167 1.00 47.04 C ATOM 1051 O PRO A 141 13.701 17.561 -9.120 1.00 50.74 O ATOM 1052 CB PRO A 141 15.266 15.773 -6.704 1.00 50.03 C ATOM 1053 CG PRO A 141 15.526 15.818 -5.225 1.00 49.29 C ATOM 1054 CD PRO A 141 14.128 16.059 -4.695 1.00 44.19 C ATOM 0 HA PRO A 141 14.835 17.804 -7.085 1.00 45.65 H new ATOM 0 HB2 PRO A 141 14.837 14.944 -6.969 1.00 50.03 H new ATOM 0 HB3 PRO A 141 16.087 15.844 -7.216 1.00 50.03 H new ATOM 0 HG2 PRO A 141 15.907 14.990 -4.894 1.00 49.29 H new ATOM 0 HG3 PRO A 141 16.139 16.529 -4.981 1.00 49.29 H new ATOM 0 HD2 PRO A 141 13.613 15.238 -4.650 1.00 44.19 H new ATOM 0 HD3 PRO A 141 14.141 16.435 -3.801 1.00 44.19 H new ATOM 1055 N GLY A 142 12.490 15.920 -8.121 1.00 45.94 N ATOM 1056 CA GLY A 142 11.539 15.718 -9.216 1.00 43.08 C ATOM 1057 C GLY A 142 10.718 16.897 -9.742 1.00 45.90 C ATOM 1058 O GLY A 142 10.033 16.754 -10.736 1.00 42.48 O ATOM 0 H GLY A 142 12.344 15.413 -7.442 1.00 45.94 H new ATOM 0 HA2 GLY A 142 12.035 15.354 -9.966 1.00 43.08 H new ATOM 0 HA3 GLY A 142 10.913 15.034 -8.932 1.00 43.08 H new ATOM 1059 N GLY A 143 10.795 18.070 -9.113 1.00 46.83 N ATOM 1060 CA GLY A 143 9.789 19.146 -9.299 1.00 39.50 C ATOM 1061 C GLY A 143 8.881 19.023 -8.086 1.00 40.14 C ATOM 1062 O GLY A 143 8.828 17.968 -7.416 1.00 43.14 O ATOM 0 H GLY A 143 11.426 18.274 -8.566 1.00 46.83 H new ATOM 0 HA2 GLY A 143 10.208 20.020 -9.340 1.00 39.50 H new ATOM 0 HA3 GLY A 143 9.294 19.029 -10.125 1.00 39.50 H new ATOM 1063 N GLY A 144 8.188 20.086 -7.735 1.00 35.78 N ATOM 1064 CA GLY A 144 7.307 19.969 -6.597 1.00 30.21 C ATOM 1065 C GLY A 144 7.866 20.441 -5.262 1.00 28.58 C ATOM 1066 O GLY A 144 9.092 20.583 -5.047 1.00 27.81 O ATOM 0 H GLY A 144 8.209 20.853 -8.123 1.00 35.78 H new ATOM 0 HA2 GLY A 144 6.499 20.472 -6.784 1.00 30.21 H new ATOM 0 HA3 GLY A 144 7.047 19.039 -6.507 1.00 30.21 H new ATOM 1067 N CYS A 145 6.942 20.714 -4.346 1.00 25.73 N ATOM 1068 CA CYS A 145 7.325 21.181 -3.038 1.00 23.49 C ATOM 1069 C CYS A 145 6.742 20.201 -2.007 1.00 23.86 C ATOM 1070 O CYS A 145 5.515 20.152 -1.850 1.00 20.66 O ATOM 1071 CB CYS A 145 6.836 22.605 -2.856 1.00 21.37 C ATOM 1072 SG CYS A 145 7.470 23.351 -1.340 1.00 23.10 S ATOM 0 H CYS A 145 6.095 20.633 -4.469 1.00 25.73 H new ATOM 0 HA CYS A 145 8.288 21.204 -2.921 1.00 23.49 H new ATOM 0 HB2 CYS A 145 7.110 23.140 -3.617 1.00 21.37 H new ATOM 0 HB3 CYS A 145 5.866 22.613 -2.838 1.00 21.37 H new ATOM 1073 N ASN A 146 7.600 19.430 -1.320 1.00 22.19 N ATOM 1074 CA ASN A 146 7.126 18.475 -0.292 1.00 22.18 C ATOM 1075 C ASN A 146 6.544 19.088 0.947 1.00 19.94 C ATOM 1076 O ASN A 146 6.951 20.194 1.354 1.00 20.70 O ATOM 1077 CB ASN A 146 8.246 17.576 0.197 1.00 21.79 C ATOM 1078 CG ASN A 146 8.561 16.474 -0.783 1.00 26.07 C ATOM 1079 OD1 ASN A 146 7.684 15.768 -1.253 1.00 27.26 O ATOM 1080 ND2 ASN A 146 9.825 16.354 -1.112 1.00 25.62 N ATOM 0 H ASN A 146 8.453 19.442 -1.430 1.00 22.19 H new ATOM 0 HA ASN A 146 6.428 17.995 -0.765 1.00 22.18 H new ATOM 0 HB2 ASN A 146 9.042 18.108 0.350 1.00 21.79 H new ATOM 0 HB3 ASN A 146 7.997 17.187 1.050 1.00 21.79 H new ATOM 0 HD21 ASN A 146 10.066 15.757 -1.682 1.00 25.62 H new ATOM 0 HD22 ASN A 146 10.413 16.872 -0.757 1.00 25.62 H new ATOM 1081 N ASP A 147 5.681 18.330 1.612 1.00 17.29 N ATOM 1082 CA ASP A 147 5.186 18.742 2.944 1.00 19.09 C ATOM 1083 C ASP A 147 6.268 18.318 3.956 1.00 18.75 C ATOM 1084 O ASP A 147 7.127 17.447 3.613 1.00 17.21 O ATOM 1085 CB ASP A 147 3.905 18.039 3.252 1.00 18.98 C ATOM 1086 CG ASP A 147 4.077 16.552 3.310 1.00 21.09 C ATOM 1087 OD1 ASP A 147 4.132 15.943 2.238 1.00 21.78 O ATOM 1088 OD2 ASP A 147 4.152 15.992 4.424 1.00 24.01 O ATOM 0 H ASP A 147 5.367 17.583 1.324 1.00 17.29 H new ATOM 0 HA ASP A 147 5.019 19.697 2.979 1.00 19.09 H new ATOM 0 HB2 ASP A 147 3.559 18.357 4.101 1.00 18.98 H new ATOM 0 HB3 ASP A 147 3.245 18.261 2.576 1.00 18.98 H new ATOM 1089 N ALA A 148 6.263 18.928 5.150 1.00 17.36 N ATOM 1090 CA ALA A 148 7.292 18.650 6.180 1.00 18.45 C ATOM 1091 C ALA A 148 7.181 17.246 6.779 1.00 19.72 C ATOM 1092 O ALA A 148 8.193 16.682 7.214 1.00 26.10 O ATOM 1093 CB ALA A 148 7.221 19.691 7.288 1.00 17.48 C ATOM 0 H ALA A 148 5.674 19.507 5.388 1.00 17.36 H new ATOM 0 HA ALA A 148 8.151 18.698 5.732 1.00 18.45 H new ATOM 0 HB1 ALA A 148 7.898 19.500 7.956 1.00 17.48 H new ATOM 0 HB2 ALA A 148 7.376 20.573 6.914 1.00 17.48 H new ATOM 0 HB3 ALA A 148 6.344 19.665 7.701 1.00 17.48 H new ATOM 1094 N CYS A 149 5.986 16.667 6.811 1.00 19.10 N ATOM 1095 CA CYS A 149 5.806 15.316 7.325 1.00 20.22 C ATOM 1096 C CYS A 149 6.553 14.339 6.420 1.00 21.34 C ATOM 1097 O CYS A 149 7.316 13.527 6.890 1.00 20.41 O ATOM 1098 CB CYS A 149 4.320 14.968 7.408 1.00 19.04 C ATOM 1099 SG CYS A 149 4.075 13.218 7.835 1.00 20.03 S ATOM 0 H CYS A 149 5.262 17.043 6.538 1.00 19.10 H new ATOM 0 HA CYS A 149 6.168 15.256 8.223 1.00 20.22 H new ATOM 0 HB2 CYS A 149 3.891 15.529 8.073 1.00 19.04 H new ATOM 0 HB3 CYS A 149 3.893 15.159 6.558 1.00 19.04 H new ATOM 1100 N THR A 150 6.345 14.450 5.103 1.00 22.45 N ATOM 1101 CA THR A 150 7.054 13.616 4.121 1.00 21.88 C ATOM 1102 C THR A 150 8.580 13.713 4.283 1.00 21.89 C ATOM 1103 O THR A 150 9.257 12.692 4.327 1.00 19.53 O ATOM 1104 CB THR A 150 6.658 14.013 2.694 1.00 23.36 C ATOM 1105 OG1 THR A 150 5.265 13.757 2.554 1.00 23.75 O ATOM 1106 CG2 THR A 150 7.388 13.172 1.652 1.00 20.78 C ATOM 0 H THR A 150 5.791 15.008 4.754 1.00 22.45 H new ATOM 0 HA THR A 150 6.793 12.696 4.284 1.00 21.88 H new ATOM 0 HB THR A 150 6.886 14.945 2.554 1.00 23.36 H new ATOM 0 HG1 THR A 150 4.912 14.369 2.100 1.00 23.75 H new ATOM 0 HG21 THR A 150 7.115 13.449 0.763 1.00 20.78 H new ATOM 0 HG22 THR A 150 8.345 13.296 1.749 1.00 20.78 H new ATOM 0 HG23 THR A 150 7.169 12.236 1.780 1.00 20.78 H new ATOM 1107 N VAL A 151 9.104 14.924 4.405 1.00 19.70 N ATOM 1108 CA VAL A 151 10.528 15.126 4.519 1.00 20.49 C ATOM 1109 C VAL A 151 11.097 14.694 5.884 1.00 23.32 C ATOM 1110 O VAL A 151 12.134 14.031 5.909 1.00 24.33 O ATOM 1111 CB VAL A 151 10.890 16.605 4.289 1.00 21.47 C ATOM 1112 CG1 VAL A 151 12.395 16.800 4.413 1.00 19.09 C ATOM 1113 CG2 VAL A 151 10.358 17.066 2.941 1.00 18.57 C ATOM 0 H VAL A 151 8.640 15.648 4.423 1.00 19.70 H new ATOM 0 HA VAL A 151 10.926 14.565 3.835 1.00 20.49 H new ATOM 0 HB VAL A 151 10.471 17.155 4.970 1.00 21.47 H new ATOM 0 HG11 VAL A 151 12.614 17.734 4.267 1.00 19.09 H new ATOM 0 HG12 VAL A 151 12.684 16.536 5.301 1.00 19.09 H new ATOM 0 HG13 VAL A 151 12.848 16.255 3.751 1.00 19.09 H new ATOM 0 HG21 VAL A 151 10.590 17.998 2.803 1.00 18.57 H new ATOM 0 HG22 VAL A 151 10.751 16.528 2.236 1.00 18.57 H new ATOM 0 HG23 VAL A 151 9.393 16.967 2.923 1.00 18.57 H new ATOM 1114 N PHE A 152 10.450 15.071 6.997 1.00 21.80 N ATOM 1115 CA PHE A 152 11.091 14.944 8.323 1.00 20.98 C ATOM 1116 C PHE A 152 10.556 13.840 9.199 1.00 22.22 C ATOM 1117 O PHE A 152 11.264 13.384 10.076 1.00 25.47 O ATOM 1118 CB PHE A 152 11.038 16.266 9.047 1.00 18.99 C ATOM 1119 CG PHE A 152 11.812 17.340 8.373 1.00 19.53 C ATOM 1120 CD1 PHE A 152 13.209 17.335 8.399 1.00 20.92 C ATOM 1121 CD2 PHE A 152 11.162 18.366 7.742 1.00 19.40 C ATOM 1122 CE1 PHE A 152 13.927 18.353 7.784 1.00 22.18 C ATOM 1123 CE2 PHE A 152 11.853 19.392 7.143 1.00 21.02 C ATOM 1124 CZ PHE A 152 13.251 19.383 7.152 1.00 23.00 C ATOM 0 H PHE A 152 9.654 15.397 7.010 1.00 21.80 H new ATOM 0 HA PHE A 152 12.008 14.688 8.140 1.00 20.98 H new ATOM 0 HB2 PHE A 152 10.113 16.546 9.128 1.00 18.99 H new ATOM 0 HB3 PHE A 152 11.379 16.148 9.948 1.00 18.99 H new ATOM 0 HD1 PHE A 152 13.661 16.646 8.831 1.00 20.92 H new ATOM 0 HD2 PHE A 152 10.232 18.369 7.718 1.00 19.40 H new ATOM 0 HE1 PHE A 152 14.857 18.343 7.797 1.00 22.18 H new ATOM 0 HE2 PHE A 152 11.393 20.089 6.734 1.00 21.02 H new ATOM 0 HZ PHE A 152 13.725 20.066 6.735 1.00 23.00 H new ATOM 1125 N GLN A 153 9.289 13.429 8.991 1.00 22.70 N ATOM 1126 CA GLN A 153 8.741 12.231 9.614 1.00 20.82 C ATOM 1127 C GLN A 153 8.795 12.417 11.176 1.00 20.37 C ATOM 1128 O GLN A 153 9.277 11.520 11.868 1.00 18.07 O ATOM 1129 CB GLN A 153 9.538 10.946 9.196 1.00 20.76 C ATOM 1130 CG GLN A 153 9.428 10.472 7.754 1.00 22.47 C ATOM 1131 CD GLN A 153 8.049 9.889 7.474 1.00 28.67 C ATOM 1132 OE1 GLN A 153 7.773 8.709 7.717 1.00 35.51 O ATOM 1133 NE2 GLN A 153 7.159 10.724 6.973 1.00 32.02 N ATOM 0 H GLN A 153 8.733 13.844 8.483 1.00 22.70 H new ATOM 0 HA GLN A 153 7.826 12.110 9.317 1.00 20.82 H new ATOM 0 HB2 GLN A 153 10.476 11.104 9.386 1.00 20.76 H new ATOM 0 HB3 GLN A 153 9.251 10.219 9.770 1.00 20.76 H new ATOM 0 HG2 GLN A 153 9.597 11.214 7.152 1.00 22.47 H new ATOM 0 HG3 GLN A 153 10.108 9.803 7.577 1.00 22.47 H new ATOM 0 HE21 GLN A 153 7.377 11.540 6.813 1.00 32.02 H new ATOM 0 HE22 GLN A 153 6.360 10.452 6.806 1.00 32.02 H new ATOM 1134 N THR A 154 8.316 13.570 11.687 1.00 19.06 N ATOM 1135 CA THR A 154 8.175 13.772 13.106 1.00 18.72 C ATOM 1136 C THR A 154 6.724 13.730 13.517 1.00 19.85 C ATOM 1137 O THR A 154 5.822 13.945 12.685 1.00 18.38 O ATOM 1138 CB THR A 154 8.795 15.084 13.529 1.00 18.41 C ATOM 1139 OG1 THR A 154 8.056 16.158 12.978 1.00 17.83 O ATOM 1140 CG2 THR A 154 10.216 15.203 12.987 1.00 19.51 C ATOM 0 H THR A 154 8.071 14.241 11.208 1.00 19.06 H new ATOM 0 HA THR A 154 8.643 13.050 13.553 1.00 18.72 H new ATOM 0 HB THR A 154 8.796 15.114 14.499 1.00 18.41 H new ATOM 0 HG1 THR A 154 8.448 16.446 12.293 1.00 17.83 H new ATOM 0 HG21 THR A 154 10.599 16.049 13.267 1.00 19.51 H new ATOM 0 HG22 THR A 154 10.756 14.474 13.331 1.00 19.51 H new ATOM 0 HG23 THR A 154 10.198 15.162 12.018 1.00 19.51 H new ATOM 1141 N SER A 155 6.517 13.490 14.807 1.00 19.37 N ATOM 1142 CA SER A 155 5.192 13.576 15.401 1.00 22.71 C ATOM 1143 C SER A 155 4.504 14.880 15.173 1.00 19.72 C ATOM 1144 O SER A 155 3.339 14.891 14.890 1.00 19.84 O ATOM 1145 CB SER A 155 5.272 13.389 16.906 1.00 26.66 C ATOM 1146 OG SER A 155 5.457 12.027 17.123 1.00 35.87 O ATOM 0 H SER A 155 7.139 13.274 15.360 1.00 19.37 H new ATOM 0 HA SER A 155 4.683 12.875 14.965 1.00 22.71 H new ATOM 0 HB2 SER A 155 6.006 13.901 17.279 1.00 26.66 H new ATOM 0 HB3 SER A 155 4.461 13.701 17.337 1.00 26.66 H new ATOM 0 HG SER A 155 4.893 11.593 16.677 1.00 35.87 H new ATOM 1147 N GLU A 156 5.255 15.960 15.304 1.00 18.43 N ATOM 1148 CA GLU A 156 4.733 17.304 15.126 1.00 18.47 C ATOM 1149 C GLU A 156 4.286 17.582 13.697 1.00 17.47 C ATOM 1150 O GLU A 156 3.209 18.063 13.477 1.00 17.96 O ATOM 1151 CB GLU A 156 5.797 18.375 15.546 1.00 19.08 C ATOM 1152 CG GLU A 156 5.204 19.760 15.755 1.00 19.29 C ATOM 1153 CD GLU A 156 4.038 19.839 16.782 1.00 20.89 C ATOM 1154 OE1 GLU A 156 3.837 18.937 17.654 1.00 21.08 O ATOM 1155 OE2 GLU A 156 3.286 20.851 16.724 1.00 22.08 O ATOM 0 H GLU A 156 6.092 15.934 15.501 1.00 18.43 H new ATOM 0 HA GLU A 156 3.953 17.366 15.700 1.00 18.47 H new ATOM 0 HB2 GLU A 156 6.230 18.088 16.365 1.00 19.08 H new ATOM 0 HB3 GLU A 156 6.485 18.424 14.864 1.00 19.08 H new ATOM 0 HG2 GLU A 156 5.911 20.357 16.045 1.00 19.29 H new ATOM 0 HG3 GLU A 156 4.885 20.091 14.901 1.00 19.29 H new ATOM 1156 N TYR A 157 5.141 17.314 12.725 1.00 18.60 N ATOM 1157 CA TYR A 157 4.744 17.489 11.311 1.00 19.08 C ATOM 1158 C TYR A 157 3.628 16.542 10.887 1.00 21.57 C ATOM 1159 O TYR A 157 2.773 16.913 10.133 1.00 19.55 O ATOM 1160 CB TYR A 157 5.936 17.282 10.414 1.00 16.78 C ATOM 1161 CG TYR A 157 6.960 18.348 10.658 1.00 15.92 C ATOM 1162 CD1 TYR A 157 6.571 19.665 10.918 1.00 15.74 C ATOM 1163 CD2 TYR A 157 8.311 18.052 10.583 1.00 15.00 C ATOM 1164 CE1 TYR A 157 7.517 20.666 11.124 1.00 15.02 C ATOM 1165 CE2 TYR A 157 9.274 19.050 10.743 1.00 14.76 C ATOM 1166 CZ TYR A 157 8.859 20.353 11.048 1.00 14.23 C ATOM 1167 OH TYR A 157 9.827 21.309 11.295 1.00 15.11 O ATOM 0 H TYR A 157 5.945 17.034 12.845 1.00 18.60 H new ATOM 0 HA TYR A 157 4.406 18.394 11.226 1.00 19.08 H new ATOM 0 HB2 TYR A 157 6.324 16.408 10.578 1.00 16.78 H new ATOM 0 HB3 TYR A 157 5.657 17.299 9.485 1.00 16.78 H new ATOM 0 HD1 TYR A 157 5.666 19.876 10.954 1.00 15.74 H new ATOM 0 HD2 TYR A 157 8.580 17.176 10.424 1.00 15.00 H new ATOM 0 HE1 TYR A 157 7.247 21.536 11.311 1.00 15.02 H new ATOM 0 HE2 TYR A 157 10.178 18.853 10.649 1.00 14.76 H new ATOM 0 HH TYR A 157 10.584 20.998 11.105 1.00 15.11 H new ATOM 1168 N CYS A 158 3.625 15.322 11.410 1.00 24.35 N ATOM 1169 CA CYS A 158 2.703 14.314 10.912 1.00 25.52 C ATOM 1170 C CYS A 158 1.407 14.270 11.743 1.00 29.18 C ATOM 1171 O CYS A 158 0.527 13.537 11.337 1.00 27.16 O ATOM 1172 CB CYS A 158 3.421 12.934 10.848 1.00 21.95 C ATOM 1173 SG CYS A 158 4.895 12.977 9.736 1.00 23.20 S ATOM 0 H CYS A 158 4.142 15.061 12.046 1.00 24.35 H new ATOM 0 HA CYS A 158 2.431 14.551 10.012 1.00 25.52 H new ATOM 0 HB2 CYS A 158 3.697 12.671 11.740 1.00 21.95 H new ATOM 0 HB3 CYS A 158 2.798 12.260 10.534 1.00 21.95 H new ATOM 1174 N CYS A 159 1.296 15.066 12.850 1.00 27.68 N ATOM 1175 CA CYS A 159 0.324 14.921 13.983 1.00 32.30 C ATOM 1176 C CYS A 159 -0.011 13.545 14.320 1.00 32.99 C ATOM 1177 O CYS A 159 -1.185 13.225 14.402 1.00 29.87 O ATOM 1178 CB CYS A 159 -1.038 15.618 13.829 1.00 37.19 C ATOM 1179 SG CYS A 159 -0.828 17.093 12.932 1.00 56.17 S ATOM 0 H CYS A 159 1.816 15.741 12.963 1.00 27.68 H new ATOM 0 HA CYS A 159 0.843 15.360 14.675 1.00 32.30 H new ATOM 0 HB2 CYS A 159 -1.662 15.034 13.370 1.00 37.19 H new ATOM 0 HB3 CYS A 159 -1.416 15.809 14.702 1.00 37.19 H new ATOM 1180 N THR A 160 1.003 12.719 14.530 1.00 37.10 N ATOM 1181 CA THR A 160 0.746 11.335 14.788 1.00 36.50 C ATOM 1182 C THR A 160 0.083 11.190 16.160 1.00 35.09 C ATOM 1183 O THR A 160 -0.619 10.238 16.383 1.00 37.73 O ATOM 1184 CB THR A 160 2.013 10.494 14.603 1.00 40.98 C ATOM 1185 OG1 THR A 160 3.085 11.185 15.193 1.00 45.38 O ATOM 1186 CG2 THR A 160 2.352 10.356 13.139 1.00 47.94 C ATOM 0 H THR A 160 1.833 12.945 14.526 1.00 37.10 H new ATOM 0 HA THR A 160 0.119 10.982 14.137 1.00 36.50 H new ATOM 0 HB THR A 160 1.865 9.621 14.998 1.00 40.98 H new ATOM 0 HG1 THR A 160 3.790 10.738 15.103 1.00 45.38 H new ATOM 0 HG21 THR A 160 3.156 9.821 13.042 1.00 47.94 H new ATOM 0 HG22 THR A 160 1.618 9.923 12.676 1.00 47.94 H new ATOM 0 HG23 THR A 160 2.501 11.235 12.757 1.00 47.94 H new ATOM 1187 N THR A 161 0.263 12.143 17.068 1.00 33.88 N ATOM 1188 CA THR A 161 -0.414 12.039 18.365 1.00 35.30 C ATOM 1189 C THR A 161 -1.855 12.567 18.279 1.00 40.92 C ATOM 1190 O THR A 161 -2.555 12.553 19.264 1.00 37.99 O ATOM 1191 CB THR A 161 0.265 12.867 19.499 1.00 34.19 C ATOM 1192 OG1 THR A 161 -0.074 14.258 19.357 1.00 36.85 O ATOM 1193 CG2 THR A 161 1.781 12.736 19.556 1.00 30.06 C ATOM 0 H THR A 161 0.756 12.839 16.963 1.00 33.88 H new ATOM 0 HA THR A 161 -0.373 11.094 18.578 1.00 35.30 H new ATOM 0 HB THR A 161 -0.077 12.499 20.329 1.00 34.19 H new ATOM 0 HG1 THR A 161 0.353 14.586 18.712 1.00 36.85 H new ATOM 0 HG21 THR A 161 2.126 13.278 20.283 1.00 30.06 H new ATOM 0 HG22 THR A 161 2.020 11.808 19.703 1.00 30.06 H new ATOM 0 HG23 THR A 161 2.164 13.039 18.718 1.00 30.06 H new ATOM 1194 N GLY A 162 -2.268 13.126 17.141 1.00 39.52 N ATOM 1195 CA GLY A 162 -3.536 13.862 17.087 1.00 39.28 C ATOM 1196 C GLY A 162 -3.518 15.254 17.694 1.00 40.35 C ATOM 1197 O GLY A 162 -4.529 15.930 17.676 1.00 42.79 O ATOM 0 H GLY A 162 -1.837 13.093 16.398 1.00 39.52 H new ATOM 0 HA2 GLY A 162 -3.809 13.936 16.159 1.00 39.28 H new ATOM 0 HA3 GLY A 162 -4.214 13.338 17.541 1.00 39.28 H new ATOM 1198 N LYS A 163 -2.386 15.672 18.257 1.00 43.82 N ATOM 1199 CA LYS A 163 -2.135 17.056 18.698 1.00 42.00 C ATOM 1200 C LYS A 163 -0.877 17.565 18.008 1.00 41.08 C ATOM 1201 O LYS A 163 0.116 16.825 17.904 1.00 43.32 O ATOM 1202 CB LYS A 163 -2.003 17.136 20.217 1.00 46.14 C ATOM 1203 CG LYS A 163 -3.342 17.477 20.865 1.00 62.95 C ATOM 1204 CD LYS A 163 -3.440 17.124 22.347 1.00 73.90 C ATOM 1205 CE LYS A 163 -4.655 17.823 22.969 1.00 82.87 C ATOM 1206 NZ LYS A 163 -4.341 18.382 24.336 1.00 93.60 N ATOM 0 H LYS A 163 -1.720 15.147 18.400 1.00 43.82 H new ATOM 0 HA LYS A 163 -2.888 17.616 18.452 1.00 42.00 H new ATOM 0 HB2 LYS A 163 -1.679 16.289 20.562 1.00 46.14 H new ATOM 0 HB3 LYS A 163 -1.345 17.809 20.453 1.00 46.14 H new ATOM 0 HG2 LYS A 163 -3.506 18.427 20.760 1.00 62.95 H new ATOM 0 HG3 LYS A 163 -4.047 17.013 20.387 1.00 62.95 H new ATOM 0 HD2 LYS A 163 -3.519 16.163 22.455 1.00 73.90 H new ATOM 0 HD3 LYS A 163 -2.630 17.395 22.807 1.00 73.90 H new ATOM 0 HE2 LYS A 163 -4.949 18.540 22.386 1.00 82.87 H new ATOM 0 HE3 LYS A 163 -5.390 17.194 23.038 1.00 82.87 H new ATOM 0 HZ1 LYS A 163 -5.065 18.780 24.668 1.00 93.60 H new ATOM 0 HZ2 LYS A 163 -4.092 17.721 24.877 1.00 93.60 H new ATOM 0 HZ3 LYS A 163 -3.681 18.975 24.270 1.00 93.60 H new ATOM 1207 N CYS A 164 -0.928 18.798 17.508 1.00 33.37 N ATOM 1208 CA CYS A 164 0.153 19.401 16.665 1.00 33.55 C ATOM 1209 C CYS A 164 -0.323 20.832 16.357 1.00 32.46 C ATOM 1210 O CYS A 164 -1.531 21.088 16.314 1.00 32.54 O ATOM 1211 CB CYS A 164 0.416 18.626 15.334 1.00 34.93 C ATOM 1212 SG CYS A 164 -1.091 18.470 14.305 1.00 33.22 S ATOM 0 H CYS A 164 -1.592 19.328 17.641 1.00 33.37 H new ATOM 0 HA CYS A 164 0.996 19.371 17.143 1.00 33.55 H new ATOM 0 HB2 CYS A 164 1.104 19.084 14.827 1.00 34.93 H new ATOM 0 HB3 CYS A 164 0.757 17.741 15.540 1.00 34.93 H new ATOM 1213 N GLY A 165 0.607 21.764 16.178 1.00 27.20 N ATOM 1214 CA GLY A 165 0.218 23.095 15.813 1.00 25.50 C ATOM 1215 C GLY A 165 0.739 23.405 14.441 1.00 23.53 C ATOM 1216 O GLY A 165 1.470 22.601 13.899 1.00 22.03 O ATOM 0 H GLY A 165 1.453 21.638 16.264 1.00 27.20 H new ATOM 0 HA2 GLY A 165 -0.748 23.177 15.829 1.00 25.50 H new ATOM 0 HA3 GLY A 165 0.568 23.733 16.455 1.00 25.50 H new ATOM 1217 N PRO A 166 0.422 24.598 13.912 1.00 23.58 N ATOM 1218 CA PRO A 166 1.060 25.036 12.681 1.00 23.62 C ATOM 1219 C PRO A 166 2.580 25.162 12.869 1.00 25.41 C ATOM 1220 O PRO A 166 3.137 25.295 14.033 1.00 26.16 O ATOM 1221 CB PRO A 166 0.411 26.390 12.404 1.00 22.74 C ATOM 1222 CG PRO A 166 -0.021 26.868 13.745 1.00 24.76 C ATOM 1223 CD PRO A 166 -0.450 25.644 14.483 1.00 23.82 C ATOM 0 HA PRO A 166 0.943 24.413 11.946 1.00 23.62 H new ATOM 0 HB2 PRO A 166 1.038 27.006 11.993 1.00 22.74 H new ATOM 0 HB3 PRO A 166 -0.342 26.305 11.798 1.00 22.74 H new ATOM 0 HG2 PRO A 166 0.704 27.318 14.206 1.00 24.76 H new ATOM 0 HG3 PRO A 166 -0.749 27.505 13.671 1.00 24.76 H new ATOM 0 HD2 PRO A 166 -0.322 25.737 15.440 1.00 23.82 H new ATOM 0 HD3 PRO A 166 -1.389 25.448 14.340 1.00 23.82 H new ATOM 1224 N THR A 167 3.277 25.041 11.761 1.00 24.03 N ATOM 1225 CA THR A 167 4.742 25.107 11.826 1.00 22.62 C ATOM 1226 C THR A 167 5.223 26.161 10.833 1.00 21.58 C ATOM 1227 O THR A 167 4.446 26.684 10.052 1.00 25.96 O ATOM 1228 CB THR A 167 5.370 23.715 11.548 1.00 21.56 C ATOM 1229 OG1 THR A 167 5.089 23.379 10.195 1.00 20.75 O ATOM 1230 CG2 THR A 167 4.780 22.622 12.451 1.00 21.68 C ATOM 0 H THR A 167 2.945 24.923 10.977 1.00 24.03 H new ATOM 0 HA THR A 167 5.026 25.363 12.718 1.00 22.62 H new ATOM 0 HB THR A 167 6.322 23.764 11.726 1.00 21.56 H new ATOM 0 HG1 THR A 167 5.604 22.764 9.946 1.00 20.75 H new ATOM 0 HG21 THR A 167 5.198 21.771 12.245 1.00 21.68 H new ATOM 0 HG22 THR A 167 4.944 22.846 13.380 1.00 21.68 H new ATOM 0 HG23 THR A 167 3.824 22.557 12.299 1.00 21.68 H new ATOM 1231 N GLU A 168 6.496 26.483 10.874 1.00 21.48 N ATOM 1232 CA GLU A 168 7.121 27.251 9.843 1.00 25.05 C ATOM 1233 C GLU A 168 6.761 26.735 8.449 1.00 23.92 C ATOM 1234 O GLU A 168 6.479 27.539 7.546 1.00 22.48 O ATOM 1235 CB GLU A 168 8.641 27.143 9.998 1.00 31.27 C ATOM 1236 CG GLU A 168 9.407 28.318 9.516 1.00 42.44 C ATOM 1237 CD GLU A 168 9.210 29.542 10.384 1.00 56.36 C ATOM 1238 OE1 GLU A 168 10.268 30.173 10.594 1.00 69.57 O ATOM 1239 OE2 GLU A 168 8.052 29.886 10.840 1.00 55.54 O ATOM 0 H GLU A 168 7.025 26.256 11.513 1.00 21.48 H new ATOM 0 HA GLU A 168 6.811 28.166 9.929 1.00 25.05 H new ATOM 0 HB2 GLU A 168 8.847 27.002 10.935 1.00 31.27 H new ATOM 0 HB3 GLU A 168 8.946 26.357 9.519 1.00 31.27 H new ATOM 0 HG2 GLU A 168 10.351 28.095 9.488 1.00 42.44 H new ATOM 0 HG3 GLU A 168 9.137 28.524 8.607 1.00 42.44 H new ATOM 1240 N TYR A 169 6.782 25.402 8.280 1.00 20.34 N ATOM 1241 CA TYR A 169 6.576 24.854 6.984 1.00 19.90 C ATOM 1242 C TYR A 169 5.120 24.932 6.605 1.00 19.53 C ATOM 1243 O TYR A 169 4.851 25.375 5.534 1.00 20.98 O ATOM 1244 CB TYR A 169 7.106 23.463 6.897 1.00 19.09 C ATOM 1245 CG TYR A 169 8.604 23.389 7.083 1.00 20.55 C ATOM 1246 CD1 TYR A 169 9.475 24.058 6.219 1.00 18.94 C ATOM 1247 CD2 TYR A 169 9.154 22.633 8.133 1.00 21.45 C ATOM 1248 CE1 TYR A 169 10.846 23.980 6.393 1.00 18.82 C ATOM 1249 CE2 TYR A 169 10.530 22.514 8.310 1.00 20.52 C ATOM 1250 CZ TYR A 169 11.361 23.218 7.431 1.00 19.76 C ATOM 1251 OH TYR A 169 12.694 23.091 7.569 1.00 19.47 O ATOM 0 H TYR A 169 6.913 24.828 8.906 1.00 20.34 H new ATOM 0 HA TYR A 169 7.074 25.384 6.342 1.00 19.90 H new ATOM 0 HB2 TYR A 169 6.674 22.915 7.571 1.00 19.09 H new ATOM 0 HB3 TYR A 169 6.873 23.087 6.034 1.00 19.09 H new ATOM 0 HD1 TYR A 169 9.129 24.562 5.518 1.00 18.94 H new ATOM 0 HD2 TYR A 169 8.583 22.200 8.726 1.00 21.45 H new ATOM 0 HE1 TYR A 169 11.418 24.435 5.818 1.00 18.82 H new ATOM 0 HE2 TYR A 169 10.884 21.985 8.988 1.00 20.52 H new ATOM 0 HH TYR A 169 12.862 22.607 8.234 1.00 19.47 H new ATOM 1252 N SER A 170 4.199 24.560 7.484 1.00 18.08 N ATOM 1253 CA SER A 170 2.803 24.663 7.169 1.00 19.10 C ATOM 1254 C SER A 170 2.471 26.133 6.928 1.00 20.95 C ATOM 1255 O SER A 170 1.668 26.418 6.045 1.00 23.70 O ATOM 1256 CB SER A 170 1.892 24.046 8.241 1.00 19.17 C ATOM 1257 OG SER A 170 1.860 24.883 9.402 1.00 21.52 O ATOM 0 H SER A 170 4.371 24.246 8.266 1.00 18.08 H new ATOM 0 HA SER A 170 2.631 24.146 6.367 1.00 19.10 H new ATOM 0 HB2 SER A 170 0.995 23.936 7.889 1.00 19.17 H new ATOM 0 HB3 SER A 170 2.214 23.163 8.479 1.00 19.17 H new ATOM 0 HG SER A 170 1.169 25.360 9.385 1.00 21.52 H new ATOM 1258 N ARG A 171 3.068 27.064 7.678 1.00 21.59 N ATOM 1259 CA ARG A 171 2.687 28.486 7.496 1.00 20.81 C ATOM 1260 C ARG A 171 2.993 28.949 6.091 1.00 20.63 C ATOM 1261 O ARG A 171 2.305 29.809 5.594 1.00 19.46 O ATOM 1262 CB ARG A 171 3.349 29.431 8.482 1.00 21.33 C ATOM 1263 CG ARG A 171 2.806 29.301 9.889 1.00 25.31 C ATOM 1264 CD ARG A 171 3.342 30.382 10.824 1.00 24.90 C ATOM 1265 NE ARG A 171 2.780 30.092 12.124 1.00 24.89 N ATOM 1266 CZ ARG A 171 3.338 29.300 13.033 1.00 27.36 C ATOM 1267 NH1 ARG A 171 4.536 28.703 12.845 1.00 25.60 N ATOM 1268 NH2 ARG A 171 2.669 29.111 14.141 1.00 31.35 N ATOM 0 H ARG A 171 3.670 26.912 8.274 1.00 21.59 H new ATOM 0 HA ARG A 171 1.732 28.517 7.664 1.00 20.81 H new ATOM 0 HB2 ARG A 171 4.304 29.261 8.493 1.00 21.33 H new ATOM 0 HB3 ARG A 171 3.227 30.344 8.178 1.00 21.33 H new ATOM 0 HG2 ARG A 171 1.838 29.350 9.865 1.00 25.31 H new ATOM 0 HG3 ARG A 171 3.037 28.428 10.243 1.00 25.31 H new ATOM 0 HD2 ARG A 171 4.311 30.368 10.853 1.00 24.90 H new ATOM 0 HD3 ARG A 171 3.080 31.265 10.521 1.00 24.90 H new ATOM 0 HE ARG A 171 2.029 30.460 12.324 1.00 24.89 H new ATOM 0 HH11 ARG A 171 4.969 28.830 12.113 1.00 25.60 H new ATOM 0 HH12 ARG A 171 4.865 28.197 13.457 1.00 25.60 H new ATOM 0 HH21 ARG A 171 1.906 29.492 14.253 1.00 31.35 H new ATOM 0 HH22 ARG A 171 2.992 28.606 14.757 1.00 31.35 H new ATOM 1269 N PHE A 172 4.012 28.375 5.460 1.00 20.59 N ATOM 1270 CA PHE A 172 4.380 28.721 4.094 1.00 20.91 C ATOM 1271 C PHE A 172 3.279 28.331 3.059 1.00 23.04 C ATOM 1272 O PHE A 172 2.904 29.148 2.206 1.00 23.63 O ATOM 1273 CB PHE A 172 5.766 28.083 3.748 1.00 24.02 C ATOM 1274 CG PHE A 172 5.992 27.867 2.263 1.00 22.12 C ATOM 1275 CD1 PHE A 172 6.297 28.941 1.444 1.00 21.86 C ATOM 1276 CD2 PHE A 172 5.830 26.613 1.700 1.00 21.75 C ATOM 1277 CE1 PHE A 172 6.462 28.778 0.071 1.00 21.90 C ATOM 1278 CE2 PHE A 172 6.022 26.424 0.320 1.00 23.11 C ATOM 1279 CZ PHE A 172 6.333 27.527 -0.487 1.00 21.04 C ATOM 0 H PHE A 172 4.511 27.771 5.815 1.00 20.59 H new ATOM 0 HA PHE A 172 4.458 29.686 4.036 1.00 20.91 H new ATOM 0 HB2 PHE A 172 6.470 28.654 4.093 1.00 24.02 H new ATOM 0 HB3 PHE A 172 5.843 27.231 4.205 1.00 24.02 H new ATOM 0 HD1 PHE A 172 6.393 29.787 1.818 1.00 21.86 H new ATOM 0 HD2 PHE A 172 5.593 25.892 2.237 1.00 21.75 H new ATOM 0 HE1 PHE A 172 6.658 29.511 -0.466 1.00 21.90 H new ATOM 0 HE2 PHE A 172 5.943 25.576 -0.053 1.00 23.11 H new ATOM 0 HZ PHE A 172 6.452 27.413 -1.402 1.00 21.04 H new ATOM 1280 N PHE A 173 2.799 27.086 3.111 1.00 21.17 N ATOM 1281 CA PHE A 173 1.673 26.660 2.277 1.00 21.34 C ATOM 1282 C PHE A 173 0.445 27.545 2.479 1.00 21.99 C ATOM 1283 O PHE A 173 -0.129 28.027 1.503 1.00 23.14 O ATOM 1284 CB PHE A 173 1.363 25.196 2.541 1.00 18.36 C ATOM 1285 CG PHE A 173 2.403 24.277 1.990 1.00 18.12 C ATOM 1286 CD1 PHE A 173 2.375 23.900 0.626 1.00 18.21 C ATOM 1287 CD2 PHE A 173 3.457 23.800 2.813 1.00 17.65 C ATOM 1288 CE1 PHE A 173 3.378 23.057 0.115 1.00 20.35 C ATOM 1289 CE2 PHE A 173 4.464 22.964 2.299 1.00 17.44 C ATOM 1290 CZ PHE A 173 4.421 22.578 0.948 1.00 18.75 C ATOM 0 H PHE A 173 3.113 26.472 3.624 1.00 21.17 H new ATOM 0 HA PHE A 173 1.927 26.759 1.346 1.00 21.34 H new ATOM 0 HB2 PHE A 173 1.285 25.053 3.497 1.00 18.36 H new ATOM 0 HB3 PHE A 173 0.503 24.976 2.150 1.00 18.36 H new ATOM 0 HD1 PHE A 173 1.696 24.208 0.070 1.00 18.21 H new ATOM 0 HD2 PHE A 173 3.482 24.045 3.710 1.00 17.65 H new ATOM 0 HE1 PHE A 173 3.357 22.810 -0.781 1.00 20.35 H new ATOM 0 HE2 PHE A 173 5.153 22.669 2.849 1.00 17.44 H new ATOM 0 HZ PHE A 173 5.073 22.012 0.602 1.00 18.75 H new ATOM 1291 N LYS A 174 0.106 27.801 3.746 1.00 21.72 N ATOM 1292 CA LYS A 174 -1.044 28.589 4.131 1.00 21.61 C ATOM 1293 C LYS A 174 -0.949 30.042 3.664 1.00 21.59 C ATOM 1294 O LYS A 174 -1.930 30.629 3.207 1.00 22.40 O ATOM 1295 CB LYS A 174 -1.219 28.547 5.659 1.00 22.57 C ATOM 1296 CG LYS A 174 -2.642 28.853 6.137 1.00 22.97 C ATOM 1297 CD LYS A 174 -3.610 27.835 5.529 1.00 24.52 C ATOM 1298 CE LYS A 174 -5.039 28.166 5.900 1.00 24.21 C ATOM 1299 NZ LYS A 174 -5.986 27.033 5.581 1.00 25.06 N ATOM 0 H LYS A 174 0.558 27.508 4.417 1.00 21.72 H new ATOM 0 HA LYS A 174 -1.816 28.197 3.693 1.00 21.61 H new ATOM 0 HB2 LYS A 174 -0.963 27.668 5.980 1.00 22.57 H new ATOM 0 HB3 LYS A 174 -0.609 29.185 6.062 1.00 22.57 H new ATOM 0 HG2 LYS A 174 -2.684 28.816 7.105 1.00 22.97 H new ATOM 0 HG3 LYS A 174 -2.896 29.752 5.876 1.00 22.97 H new ATOM 0 HD2 LYS A 174 -3.515 27.828 4.564 1.00 24.52 H new ATOM 0 HD3 LYS A 174 -3.388 26.944 5.842 1.00 24.52 H new ATOM 0 HE2 LYS A 174 -5.087 28.369 6.847 1.00 24.21 H new ATOM 0 HE3 LYS A 174 -5.319 28.964 5.424 1.00 24.21 H new ATOM 0 HZ1 LYS A 174 -6.680 27.061 6.137 1.00 25.06 H new ATOM 0 HZ2 LYS A 174 -6.274 27.114 4.743 1.00 25.06 H new ATOM 0 HZ3 LYS A 174 -5.562 26.256 5.675 1.00 25.06 H new ATOM 1300 N ARG A 175 0.241 30.594 3.697 1.00 21.34 N ATOM 1301 CA ARG A 175 0.431 31.981 3.293 1.00 24.87 C ATOM 1302 C ARG A 175 0.221 32.113 1.790 1.00 27.10 C ATOM 1303 O ARG A 175 -0.379 33.091 1.333 1.00 27.41 O ATOM 1304 CB ARG A 175 1.823 32.418 3.709 1.00 27.67 C ATOM 1305 CG ARG A 175 2.255 33.824 3.374 1.00 36.20 C ATOM 1306 CD ARG A 175 3.641 34.148 4.005 1.00 47.77 C ATOM 1307 NE ARG A 175 4.823 33.267 3.712 1.00 53.70 N ATOM 1308 CZ ARG A 175 5.584 33.304 2.602 1.00 52.58 C ATOM 1309 NH1 ARG A 175 5.319 34.143 1.595 1.00 47.75 N ATOM 1310 NH2 ARG A 175 6.620 32.481 2.484 1.00 49.90 N ATOM 0 H ARG A 175 0.957 30.190 3.949 1.00 21.34 H new ATOM 0 HA ARG A 175 -0.217 32.557 3.727 1.00 24.87 H new ATOM 0 HB2 ARG A 175 1.894 32.306 4.670 1.00 27.67 H new ATOM 0 HB3 ARG A 175 2.459 31.808 3.304 1.00 27.67 H new ATOM 0 HG2 ARG A 175 2.302 33.931 2.411 1.00 36.20 H new ATOM 0 HG3 ARG A 175 1.593 34.455 3.698 1.00 36.20 H new ATOM 0 HD2 ARG A 175 3.878 35.049 3.734 1.00 47.77 H new ATOM 0 HD3 ARG A 175 3.524 34.163 4.968 1.00 47.77 H new ATOM 0 HE ARG A 175 5.033 32.685 4.309 1.00 53.70 H new ATOM 0 HH11 ARG A 175 4.647 34.678 1.646 1.00 47.75 H new ATOM 0 HH12 ARG A 175 5.820 34.148 0.896 1.00 47.75 H new ATOM 0 HH21 ARG A 175 6.803 31.927 3.116 1.00 49.90 H new ATOM 0 HH22 ARG A 175 7.108 32.502 1.776 1.00 49.90 H new ATOM 1311 N LEU A 176 0.694 31.127 1.020 1.00 26.27 N ATOM 1312 CA LEU A 176 0.468 31.129 -0.426 1.00 27.93 C ATOM 1313 C LEU A 176 -0.913 30.628 -0.820 1.00 25.54 C ATOM 1314 O LEU A 176 -1.458 31.101 -1.772 1.00 24.51 O ATOM 1315 CB LEU A 176 1.572 30.407 -1.220 1.00 28.74 C ATOM 1316 CG LEU A 176 3.011 30.921 -1.139 1.00 33.08 C ATOM 1317 CD1 LEU A 176 3.703 30.742 -2.474 1.00 31.87 C ATOM 1318 CD2 LEU A 176 3.098 32.376 -0.762 1.00 33.29 C ATOM 0 H LEU A 176 1.143 30.455 1.314 1.00 26.27 H new ATOM 0 HA LEU A 176 0.511 32.065 -0.676 1.00 27.93 H new ATOM 0 HB2 LEU A 176 1.577 29.480 -0.935 1.00 28.74 H new ATOM 0 HB3 LEU A 176 1.312 30.415 -2.154 1.00 28.74 H new ATOM 0 HG LEU A 176 3.443 30.401 -0.444 1.00 33.08 H new ATOM 0 HD11 LEU A 176 4.614 31.070 -2.413 1.00 31.87 H new ATOM 0 HD12 LEU A 176 3.714 29.801 -2.709 1.00 31.87 H new ATOM 0 HD13 LEU A 176 3.225 31.240 -3.156 1.00 31.87 H new ATOM 0 HD21 LEU A 176 4.029 32.646 -0.726 1.00 33.29 H new ATOM 0 HD22 LEU A 176 2.632 32.910 -1.424 1.00 33.29 H new ATOM 0 HD23 LEU A 176 2.689 32.510 0.107 1.00 33.29 H new ATOM 1319 N CYS A 177 -1.477 29.680 -0.088 1.00 28.54 N ATOM 1320 CA CYS A 177 -2.799 29.113 -0.434 1.00 25.44 C ATOM 1321 C CYS A 177 -3.696 29.043 0.752 1.00 25.20 C ATOM 1322 O CYS A 177 -3.821 27.969 1.382 1.00 27.69 O ATOM 1323 CB CYS A 177 -2.647 27.759 -1.096 1.00 27.01 C ATOM 1324 SG CYS A 177 -2.137 27.940 -2.839 1.00 29.21 S ATOM 0 H CYS A 177 -1.120 29.342 0.617 1.00 28.54 H new ATOM 0 HA CYS A 177 -3.219 29.712 -1.071 1.00 25.44 H new ATOM 0 HB2 CYS A 177 -1.989 27.232 -0.616 1.00 27.01 H new ATOM 0 HB3 CYS A 177 -3.487 27.276 -1.049 1.00 27.01 H new ATOM 1325 N PRO A 178 -4.308 30.192 1.105 1.00 25.27 N ATOM 1326 CA PRO A 178 -5.088 30.169 2.351 1.00 25.29 C ATOM 1327 C PRO A 178 -6.273 29.201 2.298 1.00 25.98 C ATOM 1328 O PRO A 178 -6.726 28.705 3.343 1.00 24.87 O ATOM 1329 CB PRO A 178 -5.565 31.620 2.514 1.00 24.08 C ATOM 1330 CG PRO A 178 -5.221 32.311 1.215 1.00 26.53 C ATOM 1331 CD PRO A 178 -4.124 31.563 0.567 1.00 24.24 C ATOM 0 HA PRO A 178 -4.555 29.853 3.098 1.00 25.29 H new ATOM 0 HB2 PRO A 178 -6.519 31.656 2.686 1.00 24.08 H new ATOM 0 HB3 PRO A 178 -5.125 32.049 3.264 1.00 24.08 H new ATOM 0 HG2 PRO A 178 -5.997 32.343 0.634 1.00 26.53 H new ATOM 0 HG3 PRO A 178 -4.952 33.228 1.381 1.00 26.53 H new ATOM 0 HD2 PRO A 178 -4.195 31.584 -0.400 1.00 24.24 H new ATOM 0 HD3 PRO A 178 -3.254 31.927 0.796 1.00 24.24 H new ATOM 1332 N ASP A 179 -6.752 28.888 1.090 1.00 26.54 N ATOM 1333 CA ASP A 179 -7.923 28.007 0.971 1.00 28.36 C ATOM 1334 C ASP A 179 -7.616 26.534 0.912 1.00 26.95 C ATOM 1335 O ASP A 179 -8.541 25.754 0.740 1.00 31.30 O ATOM 1336 CB ASP A 179 -8.727 28.320 -0.303 1.00 36.05 C ATOM 1337 CG ASP A 179 -9.453 29.657 -0.252 1.00 43.11 C ATOM 1338 OD1 ASP A 179 -9.434 30.394 0.757 1.00 51.31 O ATOM 1339 OD2 ASP A 179 -10.053 29.978 -1.280 1.00 58.77 O ATOM 0 H ASP A 179 -6.425 29.166 0.345 1.00 26.54 H new ATOM 0 HA ASP A 179 -8.418 28.189 1.785 1.00 28.36 H new ATOM 0 HB2 ASP A 179 -8.126 28.315 -1.065 1.00 36.05 H new ATOM 0 HB3 ASP A 179 -9.376 27.614 -0.449 1.00 36.05 H new ATOM 1340 N ALA A 180 -6.339 26.145 0.935 1.00 22.08 N ATOM 1341 CA ALA A 180 -5.965 24.720 0.950 1.00 21.18 C ATOM 1342 C ALA A 180 -5.604 24.367 2.419 1.00 21.25 C ATOM 1343 O ALA A 180 -5.076 25.224 3.163 1.00 23.55 O ATOM 1344 CB ALA A 180 -4.758 24.481 0.029 1.00 16.51 C ATOM 0 H ALA A 180 -5.672 26.688 0.942 1.00 22.08 H new ATOM 0 HA ALA A 180 -6.692 24.164 0.630 1.00 21.18 H new ATOM 0 HB1 ALA A 180 -4.519 23.541 0.045 1.00 16.51 H new ATOM 0 HB2 ALA A 180 -4.986 24.741 -0.877 1.00 16.51 H new ATOM 0 HB3 ALA A 180 -4.006 25.010 0.337 1.00 16.51 H new ATOM 1345 N PHE A 181 -5.854 23.133 2.820 1.00 21.17 N ATOM 1346 CA PHE A 181 -5.301 22.567 4.063 1.00 22.32 C ATOM 1347 C PHE A 181 -3.763 22.567 4.051 1.00 22.47 C ATOM 1348 O PHE A 181 -3.138 22.090 3.099 1.00 21.29 O ATOM 1349 CB PHE A 181 -5.743 21.129 4.243 1.00 23.17 C ATOM 1350 CG PHE A 181 -7.082 20.972 4.806 1.00 27.08 C ATOM 1351 CD1 PHE A 181 -8.220 20.977 3.964 1.00 30.16 C ATOM 1352 CD2 PHE A 181 -7.239 20.754 6.190 1.00 28.71 C ATOM 1353 CE1 PHE A 181 -9.493 20.818 4.509 1.00 31.31 C ATOM 1354 CE2 PHE A 181 -8.516 20.603 6.738 1.00 27.25 C ATOM 1355 CZ PHE A 181 -9.632 20.622 5.906 1.00 28.90 C ATOM 0 H PHE A 181 -6.353 22.586 2.382 1.00 21.17 H new ATOM 0 HA PHE A 181 -5.629 23.124 4.786 1.00 22.32 H new ATOM 0 HB2 PHE A 181 -5.712 20.683 3.382 1.00 23.17 H new ATOM 0 HB3 PHE A 181 -5.107 20.677 4.819 1.00 23.17 H new ATOM 0 HD1 PHE A 181 -8.118 21.087 3.046 1.00 30.16 H new ATOM 0 HD2 PHE A 181 -6.490 20.711 6.740 1.00 28.71 H new ATOM 0 HE1 PHE A 181 -10.244 20.840 3.961 1.00 31.31 H new ATOM 0 HE2 PHE A 181 -8.620 20.490 7.655 1.00 27.25 H new ATOM 0 HZ PHE A 181 -10.479 20.505 6.271 1.00 28.90 H new ATOM 1356 N SER A 182 -3.157 23.111 5.095 1.00 20.58 N ATOM 1357 CA SER A 182 -1.724 23.268 5.118 1.00 20.29 C ATOM 1358 C SER A 182 -1.120 22.242 6.129 1.00 21.44 C ATOM 1359 O SER A 182 0.080 22.008 6.124 1.00 22.16 O ATOM 1360 CB SER A 182 -1.357 24.721 5.464 1.00 20.11 C ATOM 1361 OG SER A 182 -1.698 24.992 6.814 1.00 24.03 O ATOM 0 H SER A 182 -3.562 23.394 5.798 1.00 20.58 H new ATOM 0 HA SER A 182 -1.347 23.085 4.243 1.00 20.29 H new ATOM 0 HB2 SER A 182 -0.408 24.866 5.326 1.00 20.11 H new ATOM 0 HB3 SER A 182 -1.826 25.332 4.874 1.00 20.11 H new ATOM 0 HG SER A 182 -2.531 24.935 6.910 1.00 24.03 H new ATOM 1362 N TYR A 183 -1.938 21.639 6.992 1.00 20.90 N ATOM 1363 CA TYR A 183 -1.442 20.596 7.923 1.00 20.80 C ATOM 1364 C TYR A 183 -2.673 19.892 8.398 1.00 22.50 C ATOM 1365 O TYR A 183 -3.828 20.327 8.109 1.00 22.02 O ATOM 1366 CB TYR A 183 -0.523 21.115 9.097 1.00 20.08 C ATOM 1367 CG TYR A 183 -1.214 21.925 10.190 1.00 22.86 C ATOM 1368 CD1 TYR A 183 -1.658 23.239 9.927 1.00 23.52 C ATOM 1369 CD2 TYR A 183 -1.415 21.401 11.502 1.00 23.85 C ATOM 1370 CE1 TYR A 183 -2.324 24.011 10.885 1.00 24.55 C ATOM 1371 CE2 TYR A 183 -2.056 22.185 12.505 1.00 25.86 C ATOM 1372 CZ TYR A 183 -2.510 23.484 12.175 1.00 26.09 C ATOM 1373 OH TYR A 183 -3.158 24.286 13.060 1.00 29.39 O ATOM 0 H TYR A 183 -2.778 21.811 7.062 1.00 20.90 H new ATOM 0 HA TYR A 183 -0.831 20.000 7.462 1.00 20.80 H new ATOM 0 HB2 TYR A 183 -0.096 20.349 9.510 1.00 20.08 H new ATOM 0 HB3 TYR A 183 0.182 21.660 8.714 1.00 20.08 H new ATOM 0 HD1 TYR A 183 -1.502 23.605 9.086 1.00 23.52 H new ATOM 0 HD2 TYR A 183 -1.125 20.541 11.704 1.00 23.85 H new ATOM 0 HE1 TYR A 183 -2.639 24.860 10.672 1.00 24.55 H new ATOM 0 HE2 TYR A 183 -2.174 21.848 13.364 1.00 25.86 H new ATOM 0 HH TYR A 183 -3.224 23.892 13.799 1.00 29.39 H new ATOM 1374 N VAL A 184 -2.456 18.783 9.094 1.00 24.16 N ATOM 1375 CA VAL A 184 -3.581 17.860 9.425 1.00 26.12 C ATOM 1376 C VAL A 184 -4.687 18.566 10.254 1.00 28.45 C ATOM 1377 O VAL A 184 -5.863 18.311 10.061 1.00 31.70 O ATOM 1378 CB VAL A 184 -3.038 16.550 10.104 1.00 27.40 C ATOM 1379 CG1 VAL A 184 -4.149 15.644 10.643 1.00 28.96 C ATOM 1380 CG2 VAL A 184 -2.095 15.775 9.179 1.00 24.19 C ATOM 0 H VAL A 184 -1.686 18.535 9.387 1.00 24.16 H new ATOM 0 HA VAL A 184 -4.011 17.593 8.597 1.00 26.12 H new ATOM 0 HB VAL A 184 -2.527 16.847 10.873 1.00 27.40 H new ATOM 0 HG11 VAL A 184 -3.756 14.856 11.049 1.00 28.96 H new ATOM 0 HG12 VAL A 184 -4.665 16.126 11.308 1.00 28.96 H new ATOM 0 HG13 VAL A 184 -4.731 15.376 9.914 1.00 28.96 H new ATOM 0 HG21 VAL A 184 -1.782 14.976 9.631 1.00 24.19 H new ATOM 0 HG22 VAL A 184 -2.569 15.524 8.371 1.00 24.19 H new ATOM 0 HG23 VAL A 184 -1.336 16.334 8.948 1.00 24.19 H new ATOM 1381 N LEU A 185 -4.318 19.452 11.174 1.00 27.65 N ATOM 1382 CA LEU A 185 -5.307 20.031 12.043 1.00 27.38 C ATOM 1383 C LEU A 185 -5.601 21.452 11.709 1.00 29.96 C ATOM 1384 O LEU A 185 -6.052 22.176 12.614 1.00 28.97 O ATOM 1385 CB LEU A 185 -4.899 19.958 13.533 1.00 30.36 C ATOM 1386 CG LEU A 185 -4.815 18.615 14.283 1.00 32.42 C ATOM 1387 CD1 LEU A 185 -4.805 18.875 15.773 1.00 31.65 C ATOM 1388 CD2 LEU A 185 -5.925 17.637 13.919 1.00 38.04 C ATOM 0 H LEU A 185 -3.512 19.722 11.303 1.00 27.65 H new ATOM 0 HA LEU A 185 -6.104 19.497 11.900 1.00 27.38 H new ATOM 0 HB2 LEU A 185 -4.027 20.376 13.607 1.00 30.36 H new ATOM 0 HB3 LEU A 185 -5.523 20.515 14.023 1.00 30.36 H new ATOM 0 HG LEU A 185 -3.989 18.188 14.007 1.00 32.42 H new ATOM 0 HD11 LEU A 185 -4.752 18.031 16.249 1.00 31.65 H new ATOM 0 HD12 LEU A 185 -4.038 19.423 16.001 1.00 31.65 H new ATOM 0 HD13 LEU A 185 -5.619 19.338 16.026 1.00 31.65 H new ATOM 0 HD21 LEU A 185 -5.813 16.817 14.425 1.00 38.04 H new ATOM 0 HD22 LEU A 185 -6.786 18.031 14.130 1.00 38.04 H new ATOM 0 HD23 LEU A 185 -5.884 17.440 12.970 1.00 38.04 H new ATOM 1389 N ASP A 186 -5.359 21.863 10.449 1.00 28.38 N ATOM 1390 CA ASP A 186 -5.656 23.215 9.973 1.00 26.83 C ATOM 1391 C ASP A 186 -7.156 23.536 10.187 1.00 29.76 C ATOM 1392 O ASP A 186 -7.968 22.622 10.139 1.00 29.16 O ATOM 1393 CB ASP A 186 -5.316 23.279 8.498 1.00 27.23 C ATOM 1394 CG ASP A 186 -4.934 24.671 8.048 1.00 28.53 C ATOM 1395 OD1 ASP A 186 -5.081 25.651 8.797 1.00 29.63 O ATOM 1396 OD2 ASP A 186 -4.453 24.804 6.937 1.00 28.13 O ATOM 0 H ASP A 186 -5.015 21.354 9.847 1.00 28.38 H new ATOM 0 HA ASP A 186 -5.133 23.866 10.466 1.00 26.83 H new ATOM 0 HB2 ASP A 186 -4.584 22.671 8.312 1.00 27.23 H new ATOM 0 HB3 ASP A 186 -6.077 22.973 7.981 1.00 27.23 H new ATOM 1397 N LYS A 187 -7.529 24.786 10.475 1.00 32.02 N ATOM 1398 CA LYS A 187 -8.963 25.159 10.522 1.00 39.00 C ATOM 1399 C LYS A 187 -9.557 24.737 9.145 1.00 39.44 C ATOM 1400 O LYS A 187 -9.009 25.102 8.101 1.00 38.84 O ATOM 1401 CB LYS A 187 -9.192 26.657 10.867 1.00 44.46 C ATOM 1402 CG LYS A 187 -10.663 27.137 10.810 1.00 55.51 C ATOM 1403 CD LYS A 187 -11.252 27.728 12.124 1.00 70.90 C ATOM 1404 CE LYS A 187 -10.926 29.199 12.491 1.00 68.67 C ATOM 1405 NZ LYS A 187 -11.300 30.247 11.487 1.00 71.21 N ATOM 0 H LYS A 187 -6.983 25.429 10.645 1.00 32.02 H new ATOM 0 HA LYS A 187 -9.420 24.700 11.244 1.00 39.00 H new ATOM 0 HB2 LYS A 187 -8.848 26.824 11.759 1.00 44.46 H new ATOM 0 HB3 LYS A 187 -8.668 27.197 10.255 1.00 44.46 H new ATOM 0 HG2 LYS A 187 -10.736 27.810 10.115 1.00 55.51 H new ATOM 0 HG3 LYS A 187 -11.217 26.388 10.539 1.00 55.51 H new ATOM 0 HD2 LYS A 187 -12.217 27.643 12.078 1.00 70.90 H new ATOM 0 HD3 LYS A 187 -10.953 27.169 12.858 1.00 70.90 H new ATOM 0 HE2 LYS A 187 -11.373 29.408 13.326 1.00 68.67 H new ATOM 0 HE3 LYS A 187 -9.972 29.265 12.655 1.00 68.67 H new ATOM 0 HZ1 LYS A 187 -11.070 31.050 11.796 1.00 71.21 H new ATOM 0 HZ2 LYS A 187 -10.874 30.091 10.722 1.00 71.21 H new ATOM 0 HZ3 LYS A 187 -12.179 30.224 11.347 1.00 71.21 H new ATOM 1406 N PRO A 188 -10.601 23.893 9.145 1.00 41.40 N ATOM 1407 CA PRO A 188 -11.088 23.310 7.851 1.00 41.79 C ATOM 1408 C PRO A 188 -11.370 24.352 6.764 1.00 37.51 C ATOM 1409 O PRO A 188 -11.796 25.485 7.068 1.00 34.05 O ATOM 1410 CB PRO A 188 -12.370 22.563 8.251 1.00 42.27 C ATOM 1411 CG PRO A 188 -12.168 22.243 9.716 1.00 49.29 C ATOM 1412 CD PRO A 188 -11.321 23.352 10.323 1.00 41.07 C ATOM 0 HA PRO A 188 -10.412 22.742 7.449 1.00 41.79 H new ATOM 0 HB2 PRO A 188 -13.158 23.112 8.113 1.00 42.27 H new ATOM 0 HB3 PRO A 188 -12.490 21.757 7.725 1.00 42.27 H new ATOM 0 HG2 PRO A 188 -13.022 22.180 10.171 1.00 49.29 H new ATOM 0 HG3 PRO A 188 -11.728 21.385 9.819 1.00 49.29 H new ATOM 0 HD2 PRO A 188 -11.867 24.028 10.753 1.00 41.07 H new ATOM 0 HD3 PRO A 188 -10.709 23.012 10.994 1.00 41.07 H new ATOM 1413 N THR A 189 -11.058 24.010 5.524 1.00 35.95 N ATOM 1414 CA THR A 189 -11.443 24.882 4.369 1.00 35.47 C ATOM 1415 C THR A 189 -12.386 24.134 3.426 1.00 35.28 C ATOM 1416 O THR A 189 -12.624 24.516 2.277 1.00 35.77 O ATOM 1417 CB THR A 189 -10.224 25.424 3.643 1.00 36.15 C ATOM 1418 OG1 THR A 189 -9.290 24.342 3.427 1.00 34.62 O ATOM 1419 CG2 THR A 189 -9.615 26.569 4.465 1.00 31.54 C ATOM 0 H THR A 189 -10.632 23.294 5.310 1.00 35.95 H new ATOM 0 HA THR A 189 -11.920 25.651 4.717 1.00 35.47 H new ATOM 0 HB THR A 189 -10.465 25.785 2.776 1.00 36.15 H new ATOM 0 HG1 THR A 189 -8.862 24.478 2.717 1.00 34.62 H new ATOM 0 HG21 THR A 189 -8.836 26.919 4.005 1.00 31.54 H new ATOM 0 HG22 THR A 189 -10.271 27.275 4.572 1.00 31.54 H new ATOM 0 HG23 THR A 189 -9.353 26.237 5.338 1.00 31.54 H new ATOM 1420 N THR A 190 -12.931 23.052 3.975 1.00 32.24 N ATOM 1421 CA THR A 190 -13.928 22.246 3.347 1.00 32.86 C ATOM 1422 C THR A 190 -15.112 23.115 2.919 1.00 31.65 C ATOM 1423 O THR A 190 -15.539 23.993 3.638 1.00 31.79 O ATOM 1424 CB THR A 190 -14.325 21.079 4.293 1.00 31.49 C ATOM 1425 OG1 THR A 190 -13.127 20.366 4.666 1.00 35.87 O ATOM 1426 CG2 THR A 190 -15.272 20.089 3.620 1.00 27.96 C ATOM 0 H THR A 190 -12.710 22.769 4.756 1.00 32.24 H new ATOM 0 HA THR A 190 -13.579 21.844 2.536 1.00 32.86 H new ATOM 0 HB THR A 190 -14.777 21.460 5.062 1.00 31.49 H new ATOM 0 HG1 THR A 190 -13.326 19.732 5.180 1.00 35.87 H new ATOM 0 HG21 THR A 190 -15.494 19.379 4.243 1.00 27.96 H new ATOM 0 HG22 THR A 190 -16.083 20.548 3.351 1.00 27.96 H new ATOM 0 HG23 THR A 190 -14.842 19.710 2.838 1.00 27.96 H new ATOM 1427 N VAL A 191 -15.553 22.884 1.692 1.00 33.98 N ATOM 1428 CA VAL A 191 -16.744 23.495 1.116 1.00 33.96 C ATOM 1429 C VAL A 191 -17.831 22.396 1.050 1.00 37.36 C ATOM 1430 O VAL A 191 -17.590 21.233 0.631 1.00 38.96 O ATOM 1431 CB VAL A 191 -16.444 24.145 -0.280 1.00 31.88 C ATOM 1432 CG1 VAL A 191 -17.692 24.705 -0.938 1.00 29.01 C ATOM 1433 CG2 VAL A 191 -15.415 25.231 -0.133 1.00 27.09 C ATOM 0 H VAL A 191 -15.154 22.348 1.151 1.00 33.98 H new ATOM 0 HA VAL A 191 -17.058 24.229 1.667 1.00 33.96 H new ATOM 0 HB VAL A 191 -16.103 23.442 -0.855 1.00 31.88 H new ATOM 0 HG11 VAL A 191 -17.459 25.095 -1.795 1.00 29.01 H new ATOM 0 HG12 VAL A 191 -18.335 23.991 -1.072 1.00 29.01 H new ATOM 0 HG13 VAL A 191 -18.080 25.387 -0.368 1.00 29.01 H new ATOM 0 HG21 VAL A 191 -15.236 25.627 -1.000 1.00 27.09 H new ATOM 0 HG22 VAL A 191 -15.748 25.913 0.471 1.00 27.09 H new ATOM 0 HG23 VAL A 191 -14.596 24.855 0.225 1.00 27.09 H new ATOM 1434 N THR A 192 -19.022 22.786 1.513 1.00 38.81 N ATOM 1435 CA THR A 192 -20.209 21.941 1.493 1.00 35.55 C ATOM 1436 C THR A 192 -21.052 22.290 0.297 1.00 34.50 C ATOM 1437 O THR A 192 -21.369 23.455 0.051 1.00 32.49 O ATOM 1438 CB THR A 192 -21.066 22.128 2.749 1.00 37.53 C ATOM 1439 OG1 THR A 192 -20.218 22.122 3.910 1.00 35.90 O ATOM 1440 CG2 THR A 192 -22.104 20.976 2.842 1.00 36.66 C ATOM 0 H THR A 192 -19.160 23.564 1.853 1.00 38.81 H new ATOM 0 HA THR A 192 -19.908 21.020 1.455 1.00 35.55 H new ATOM 0 HB THR A 192 -21.536 22.975 2.703 1.00 37.53 H new ATOM 0 HG1 THR A 192 -20.068 21.329 4.143 1.00 35.90 H new ATOM 0 HG21 THR A 192 -22.647 21.093 3.637 1.00 36.66 H new ATOM 0 HG22 THR A 192 -22.673 20.989 2.057 1.00 36.66 H new ATOM 0 HG23 THR A 192 -21.640 20.125 2.890 1.00 36.66 H new ATOM 1441 N CYS A 193 -21.375 21.253 -0.455 1.00 32.16 N ATOM 1442 CA CYS A 193 -22.198 21.403 -1.626 1.00 33.48 C ATOM 1443 C CYS A 193 -23.413 20.546 -1.474 1.00 36.02 C ATOM 1444 O CYS A 193 -23.399 19.543 -0.679 1.00 36.40 O ATOM 1445 CB CYS A 193 -21.426 20.946 -2.860 1.00 33.94 C ATOM 1446 SG CYS A 193 -20.091 22.060 -3.214 1.00 35.35 S ATOM 0 H CYS A 193 -21.122 20.446 -0.298 1.00 32.16 H new ATOM 0 HA CYS A 193 -22.450 22.334 -1.728 1.00 33.48 H new ATOM 0 HB2 CYS A 193 -21.078 20.052 -2.716 1.00 33.94 H new ATOM 0 HB3 CYS A 193 -22.024 20.898 -3.622 1.00 33.94 H new ATOM 1447 N PRO A 194 -24.463 20.911 -2.229 1.00 35.25 N ATOM 1448 CA PRO A 194 -25.610 20.008 -2.361 1.00 34.19 C ATOM 1449 C PRO A 194 -25.190 18.569 -2.725 1.00 31.66 C ATOM 1450 O PRO A 194 -24.338 18.398 -3.603 1.00 34.78 O ATOM 1451 CB PRO A 194 -26.427 20.654 -3.495 1.00 33.26 C ATOM 1452 CG PRO A 194 -26.054 22.100 -3.479 1.00 31.16 C ATOM 1453 CD PRO A 194 -24.669 22.211 -2.914 1.00 33.74 C ATOM 0 HA PRO A 194 -26.103 19.911 -1.531 1.00 34.19 H new ATOM 0 HB2 PRO A 194 -26.218 20.249 -4.351 1.00 33.26 H new ATOM 0 HB3 PRO A 194 -27.379 20.537 -3.350 1.00 33.26 H new ATOM 0 HG2 PRO A 194 -26.086 22.469 -4.375 1.00 31.16 H new ATOM 0 HG3 PRO A 194 -26.682 22.607 -2.941 1.00 31.16 H new ATOM 0 HD2 PRO A 194 -24.010 22.355 -3.611 1.00 33.74 H new ATOM 0 HD3 PRO A 194 -24.595 22.955 -2.296 1.00 33.74 H new ATOM 1454 N GLY A 195 -25.777 17.564 -2.048 1.00 30.46 N ATOM 1455 CA GLY A 195 -25.708 16.124 -2.449 1.00 29.09 C ATOM 1456 C GLY A 195 -25.748 15.981 -3.973 1.00 33.61 C ATOM 1457 O GLY A 195 -26.477 16.722 -4.618 1.00 30.65 O ATOM 0 H GLY A 195 -26.235 17.694 -1.332 1.00 30.46 H new ATOM 0 HA2 GLY A 195 -24.893 15.727 -2.104 1.00 29.09 H new ATOM 0 HA3 GLY A 195 -26.449 15.638 -2.055 1.00 29.09 H new ATOM 1458 N SER A 196 -24.953 15.063 -4.551 1.00 34.92 N ATOM 1459 CA SER A 196 -24.918 14.846 -6.020 1.00 38.60 C ATOM 1460 C SER A 196 -24.564 16.064 -6.930 1.00 41.63 C ATOM 1461 O SER A 196 -25.009 16.115 -8.080 1.00 47.20 O ATOM 1462 CB SER A 196 -26.250 14.300 -6.473 1.00 35.67 C ATOM 1463 OG SER A 196 -26.423 13.058 -5.896 1.00 42.99 O ATOM 0 H SER A 196 -24.422 14.551 -4.110 1.00 34.92 H new ATOM 0 HA SER A 196 -24.177 14.230 -6.135 1.00 38.60 H new ATOM 0 HB2 SER A 196 -26.968 14.898 -6.212 1.00 35.67 H new ATOM 0 HB3 SER A 196 -26.277 14.231 -7.440 1.00 35.67 H new ATOM 0 HG SER A 196 -25.894 12.973 -5.249 1.00 42.99 H new ATOM 1464 N SER A 197 -23.779 17.033 -6.452 1.00 36.76 N ATOM 1465 CA SER A 197 -23.244 18.036 -7.360 1.00 33.97 C ATOM 1466 C SER A 197 -22.289 17.397 -8.399 1.00 33.78 C ATOM 1467 O SER A 197 -21.875 16.193 -8.290 1.00 32.40 O ATOM 1468 CB SER A 197 -22.544 19.189 -6.615 1.00 34.30 C ATOM 1469 OG SER A 197 -23.413 19.935 -5.774 1.00 34.64 O ATOM 0 H SER A 197 -23.552 17.123 -5.627 1.00 36.76 H new ATOM 0 HA SER A 197 -24.002 18.417 -7.831 1.00 33.97 H new ATOM 0 HB2 SER A 197 -21.821 18.826 -6.080 1.00 34.30 H new ATOM 0 HB3 SER A 197 -22.143 19.787 -7.265 1.00 34.30 H new ATOM 0 HG SER A 197 -23.672 19.451 -5.139 1.00 34.64 H new ATOM 1470 N ASN A 198 -21.987 18.204 -9.421 1.00 31.99 N ATOM 1471 CA ASN A 198 -20.949 17.928 -10.396 1.00 29.41 C ATOM 1472 C ASN A 198 -19.850 18.950 -10.397 1.00 25.18 C ATOM 1473 O ASN A 198 -20.039 20.082 -9.970 1.00 24.12 O ATOM 1474 CB ASN A 198 -21.575 17.831 -11.768 1.00 33.45 C ATOM 1475 CG ASN A 198 -22.383 16.582 -11.915 1.00 37.79 C ATOM 1476 OD1 ASN A 198 -21.990 15.501 -11.464 1.00 39.17 O ATOM 1477 ND2 ASN A 198 -23.520 16.712 -12.545 1.00 40.66 N ATOM 0 H ASN A 198 -22.397 18.947 -9.563 1.00 31.99 H new ATOM 0 HA ASN A 198 -20.534 17.086 -10.149 1.00 29.41 H new ATOM 0 HB2 ASN A 198 -22.141 18.604 -11.922 1.00 33.45 H new ATOM 0 HB3 ASN A 198 -20.880 17.849 -12.444 1.00 33.45 H new ATOM 0 HD21 ASN A 198 -24.029 16.028 -12.660 1.00 40.66 H new ATOM 0 HD22 ASN A 198 -23.760 17.481 -12.845 1.00 40.66 H new ATOM 1478 N TYR A 199 -18.679 18.555 -10.890 1.00 25.60 N ATOM 1479 CA TYR A 199 -17.474 19.387 -10.647 1.00 25.89 C ATOM 1480 C TYR A 199 -16.520 19.419 -11.815 1.00 26.41 C ATOM 1481 O TYR A 199 -16.499 18.530 -12.669 1.00 27.20 O ATOM 1482 CB TYR A 199 -16.696 18.853 -9.411 1.00 24.47 C ATOM 1483 CG TYR A 199 -17.533 18.746 -8.157 1.00 26.96 C ATOM 1484 CD1 TYR A 199 -17.648 19.850 -7.262 1.00 25.56 C ATOM 1485 CD2 TYR A 199 -18.236 17.542 -7.854 1.00 24.31 C ATOM 1486 CE1 TYR A 199 -18.439 19.770 -6.125 1.00 24.59 C ATOM 1487 CE2 TYR A 199 -19.038 17.454 -6.725 1.00 24.12 C ATOM 1488 CZ TYR A 199 -19.142 18.543 -5.854 1.00 28.42 C ATOM 1489 OH TYR A 199 -19.963 18.430 -4.714 1.00 29.22 O ATOM 0 H TYR A 199 -18.550 17.840 -11.351 1.00 25.60 H new ATOM 0 HA TYR A 199 -17.802 20.288 -10.501 1.00 25.89 H new ATOM 0 HB2 TYR A 199 -16.333 17.979 -9.622 1.00 24.47 H new ATOM 0 HB3 TYR A 199 -15.943 19.439 -9.237 1.00 24.47 H new ATOM 0 HD1 TYR A 199 -17.185 20.636 -7.443 1.00 25.56 H new ATOM 0 HD2 TYR A 199 -18.156 16.808 -8.419 1.00 24.31 H new ATOM 0 HE1 TYR A 199 -18.514 20.496 -5.548 1.00 24.59 H new ATOM 0 HE2 TYR A 199 -19.507 16.670 -6.548 1.00 24.12 H new ATOM 0 HH TYR A 199 -20.494 17.787 -4.813 1.00 29.22 H new ATOM 1490 N ARG A 200 -15.677 20.433 -11.805 1.00 29.10 N ATOM 1491 CA ARG A 200 -14.517 20.482 -12.679 1.00 26.25 C ATOM 1492 C ARG A 200 -13.255 20.669 -11.844 1.00 24.29 C ATOM 1493 O ARG A 200 -13.196 21.470 -10.915 1.00 22.75 O ATOM 1494 CB ARG A 200 -14.677 21.639 -13.630 1.00 25.31 C ATOM 1495 CG ARG A 200 -13.608 21.715 -14.697 1.00 27.63 C ATOM 1496 CD ARG A 200 -13.876 22.916 -15.578 1.00 27.55 C ATOM 1497 NE ARG A 200 -14.823 22.588 -16.659 1.00 30.46 N ATOM 1498 CZ ARG A 200 -16.024 23.143 -16.815 1.00 31.37 C ATOM 1499 NH1 ARG A 200 -16.447 24.066 -15.972 1.00 32.56 N ATOM 1500 NH2 ARG A 200 -16.803 22.782 -17.827 1.00 33.89 N ATOM 0 H ARG A 200 -15.759 21.117 -11.290 1.00 29.10 H new ATOM 0 HA ARG A 200 -14.443 19.654 -13.179 1.00 26.25 H new ATOM 0 HB2 ARG A 200 -15.544 21.575 -14.059 1.00 25.31 H new ATOM 0 HB3 ARG A 200 -14.673 22.465 -13.122 1.00 25.31 H new ATOM 0 HG2 ARG A 200 -12.731 21.788 -14.288 1.00 27.63 H new ATOM 0 HG3 ARG A 200 -13.607 20.903 -15.228 1.00 27.63 H new ATOM 0 HD2 ARG A 200 -14.234 23.640 -15.041 1.00 27.55 H new ATOM 0 HD3 ARG A 200 -13.042 23.231 -15.960 1.00 27.55 H new ATOM 0 HE ARG A 200 -14.582 21.994 -17.232 1.00 30.46 H new ATOM 0 HH11 ARG A 200 -15.946 24.312 -15.317 1.00 32.56 H new ATOM 0 HH12 ARG A 200 -17.223 24.421 -16.077 1.00 32.56 H new ATOM 0 HH21 ARG A 200 -16.533 22.187 -18.386 1.00 33.89 H new ATOM 0 HH22 ARG A 200 -17.578 23.143 -17.924 1.00 33.89 H new ATOM 1501 N VAL A 201 -12.245 19.916 -12.184 1.00 22.80 N ATOM 1502 CA VAL A 201 -10.926 20.149 -11.632 1.00 22.24 C ATOM 1503 C VAL A 201 -10.080 20.698 -12.812 1.00 22.57 C ATOM 1504 O VAL A 201 -10.048 20.109 -13.883 1.00 21.08 O ATOM 1505 CB VAL A 201 -10.303 18.835 -11.119 1.00 19.65 C ATOM 1506 CG1 VAL A 201 -8.960 19.121 -10.507 1.00 20.18 C ATOM 1507 CG2 VAL A 201 -11.164 18.193 -10.056 1.00 19.65 C ATOM 0 H VAL A 201 -12.294 19.258 -12.736 1.00 22.80 H new ATOM 0 HA VAL A 201 -10.962 20.762 -10.881 1.00 22.24 H new ATOM 0 HB VAL A 201 -10.225 18.234 -11.876 1.00 19.65 H new ATOM 0 HG11 VAL A 201 -8.568 18.294 -10.184 1.00 20.18 H new ATOM 0 HG12 VAL A 201 -8.377 19.515 -11.175 1.00 20.18 H new ATOM 0 HG13 VAL A 201 -9.067 19.738 -9.766 1.00 20.18 H new ATOM 0 HG21 VAL A 201 -10.747 17.371 -9.754 1.00 19.65 H new ATOM 0 HG22 VAL A 201 -11.260 18.801 -9.306 1.00 19.65 H new ATOM 0 HG23 VAL A 201 -12.039 17.995 -10.424 1.00 19.65 H new ATOM 1508 N THR A 202 -9.390 21.800 -12.601 1.00 21.30 N ATOM 1509 CA THR A 202 -8.602 22.411 -13.628 1.00 21.02 C ATOM 1510 C THR A 202 -7.188 22.534 -13.099 1.00 22.37 C ATOM 1511 O THR A 202 -6.956 23.191 -12.078 1.00 25.21 O ATOM 1512 CB THR A 202 -9.130 23.806 -14.002 1.00 20.76 C ATOM 1513 OG1 THR A 202 -10.532 23.719 -14.326 1.00 19.74 O ATOM 1514 CG2 THR A 202 -8.351 24.394 -15.219 1.00 18.62 C ATOM 0 H THR A 202 -9.370 22.214 -11.847 1.00 21.30 H new ATOM 0 HA THR A 202 -8.641 21.865 -14.429 1.00 21.02 H new ATOM 0 HB THR A 202 -9.001 24.395 -13.242 1.00 20.76 H new ATOM 0 HG1 THR A 202 -10.985 23.731 -13.618 1.00 19.74 H new ATOM 0 HG21 THR A 202 -8.702 25.272 -15.435 1.00 18.62 H new ATOM 0 HG22 THR A 202 -7.410 24.468 -14.996 1.00 18.62 H new ATOM 0 HG23 THR A 202 -8.456 23.808 -15.984 1.00 18.62 H new ATOM 1515 N PHE A 203 -6.258 21.880 -13.783 1.00 21.30 N ATOM 1516 CA PHE A 203 -4.827 22.074 -13.538 1.00 22.68 C ATOM 1517 C PHE A 203 -4.377 23.337 -14.246 1.00 21.68 C ATOM 1518 O PHE A 203 -4.786 23.572 -15.377 1.00 21.77 O ATOM 1519 CB PHE A 203 -4.010 20.879 -13.986 1.00 20.96 C ATOM 1520 CG PHE A 203 -4.504 19.563 -13.432 1.00 20.87 C ATOM 1521 CD1 PHE A 203 -4.540 19.327 -12.075 1.00 22.29 C ATOM 1522 CD2 PHE A 203 -4.959 18.568 -14.278 1.00 21.86 C ATOM 1523 CE1 PHE A 203 -4.993 18.104 -11.584 1.00 23.40 C ATOM 1524 CE2 PHE A 203 -5.432 17.346 -13.807 1.00 19.83 C ATOM 1525 CZ PHE A 203 -5.434 17.109 -12.462 1.00 22.10 C ATOM 0 H PHE A 203 -6.435 21.311 -14.403 1.00 21.30 H new ATOM 0 HA PHE A 203 -4.682 22.164 -12.583 1.00 22.68 H new ATOM 0 HB2 PHE A 203 -4.019 20.836 -14.955 1.00 20.96 H new ATOM 0 HB3 PHE A 203 -3.087 21.009 -13.716 1.00 20.96 H new ATOM 0 HD1 PHE A 203 -4.260 19.988 -11.483 1.00 22.29 H new ATOM 0 HD2 PHE A 203 -4.949 18.721 -15.195 1.00 21.86 H new ATOM 0 HE1 PHE A 203 -5.002 17.949 -10.667 1.00 23.40 H new ATOM 0 HE2 PHE A 203 -5.742 16.700 -14.400 1.00 19.83 H new ATOM 0 HZ PHE A 203 -5.727 16.290 -12.132 1.00 22.10 H new ATOM 1526 N CYS A 204 -3.571 24.142 -13.546 1.00 20.19 N ATOM 1527 CA CYS A 204 -3.024 25.413 -14.039 1.00 22.96 C ATOM 1528 C CYS A 204 -4.159 26.367 -14.432 1.00 25.10 C ATOM 1529 O CYS A 204 -4.226 26.788 -15.608 1.00 21.51 O ATOM 1530 CB CYS A 204 -2.081 25.225 -15.221 1.00 23.51 C ATOM 1531 SG CYS A 204 -0.620 24.252 -14.787 1.00 24.46 S ATOM 0 H CYS A 204 -3.319 23.957 -12.745 1.00 20.19 H new ATOM 0 HA CYS A 204 -2.509 25.796 -13.312 1.00 22.96 H new ATOM 0 HB2 CYS A 204 -2.556 24.786 -15.944 1.00 23.51 H new ATOM 0 HB3 CYS A 204 -1.802 26.094 -15.551 1.00 23.51 H new ATOM 1532 N PRO A 205 -5.066 26.663 -13.462 1.00 23.72 N ATOM 1533 CA PRO A 205 -6.313 27.345 -13.760 1.00 27.62 C ATOM 1534 C PRO A 205 -6.020 28.750 -14.310 1.00 31.04 C ATOM 1535 O PRO A 205 -6.836 29.407 -14.907 1.00 30.01 O ATOM 1536 CB PRO A 205 -6.995 27.435 -12.381 1.00 27.68 C ATOM 1537 CG PRO A 205 -5.885 27.453 -11.423 1.00 26.13 C ATOM 1538 CD PRO A 205 -4.945 26.420 -12.012 1.00 25.85 C ATOM 0 HA PRO A 205 -6.857 26.894 -14.425 1.00 27.62 H new ATOM 0 HB2 PRO A 205 -7.538 28.235 -12.307 1.00 27.68 H new ATOM 0 HB3 PRO A 205 -7.582 26.678 -12.227 1.00 27.68 H new ATOM 0 HG2 PRO A 205 -5.471 28.328 -11.363 1.00 26.13 H new ATOM 0 HG3 PRO A 205 -6.173 27.214 -10.528 1.00 26.13 H new ATOM 0 HD2 PRO A 205 -4.034 26.542 -11.701 1.00 25.85 H new ATOM 0 HD3 PRO A 205 -5.207 25.517 -11.775 1.00 25.85 H new ATOM 1539 N THR A 206 -4.793 29.150 -14.165 1.00 35.44 N ATOM 1540 CA THR A 206 -4.437 30.501 -14.343 1.00 45.57 C ATOM 1541 C THR A 206 -3.405 30.697 -15.549 1.00 52.42 C ATOM 1542 O THR A 206 -3.232 31.805 -16.027 1.00 60.30 O ATOM 1543 CB THR A 206 -4.039 30.944 -12.920 1.00 46.02 C ATOM 1544 OG1 THR A 206 -3.494 32.235 -12.943 1.00 49.09 O ATOM 1545 CG2 THR A 206 -3.003 29.948 -12.294 1.00 52.12 C ATOM 0 H THR A 206 -4.138 28.632 -13.957 1.00 35.44 H new ATOM 0 HA THR A 206 -5.137 31.093 -14.660 1.00 45.57 H new ATOM 0 HB THR A 206 -4.841 30.945 -12.374 1.00 46.02 H new ATOM 0 HG1 THR A 206 -3.283 32.464 -12.163 1.00 49.09 H new ATOM 0 HG21 THR A 206 -2.767 30.245 -11.401 1.00 52.12 H new ATOM 0 HG22 THR A 206 -3.394 29.062 -12.247 1.00 52.12 H new ATOM 0 HG23 THR A 206 -2.206 29.920 -12.846 1.00 52.12 H new ATOM 1546 N ALA A 207 -2.813 29.609 -16.082 1.00 64.55 N ATOM 1547 CA ALA A 207 -1.779 29.619 -17.189 1.00 74.79 C ATOM 1548 C ALA A 207 -2.151 30.369 -18.503 1.00 81.05 C ATOM 1549 O ALA A 207 -3.169 30.088 -19.165 1.00 77.57 O ATOM 1550 CB ALA A 207 -1.269 28.199 -17.500 1.00 59.30 C ATOM 0 H ALA A 207 -2.997 28.814 -15.812 1.00 64.55 H new ATOM 0 HA ALA A 207 -1.067 30.158 -16.810 1.00 74.79 H new ATOM 0 HB1 ALA A 207 -0.610 28.240 -18.211 1.00 59.30 H new ATOM 0 HB2 ALA A 207 -0.863 27.819 -16.705 1.00 59.30 H new ATOM 0 HB3 ALA A 207 -2.012 27.642 -17.780 1.00 59.30 H new TER 1551 ALA A 207 HETATM 1552 O1 TLA A 301 12.562 20.751 10.941 1.00 50.91 O HETATM 1553 O11 TLA A 301 12.028 19.456 12.592 1.00 45.46 O HETATM 1554 C1 TLA A 301 12.830 19.834 11.751 1.00 42.79 C HETATM 1555 C2 TLA A 301 14.159 19.123 11.741 1.00 42.24 C HETATM 1556 O2 TLA A 301 13.994 17.846 12.357 1.00 42.48 O HETATM 1557 C3 TLA A 301 15.299 19.801 12.500 1.00 45.24 C HETATM 1558 O3 TLA A 301 14.971 20.003 13.883 1.00 38.71 O HETATM 1559 C4 TLA A 301 16.597 19.031 12.312 1.00 45.01 C HETATM 1560 O4 TLA A 301 17.011 18.897 11.146 1.00 44.27 O HETATM 1561 O41 TLA A 301 17.249 18.606 13.290 1.00 46.93 O HETATM 0 HB TLA A 301 15.510 19.574 14.364 1.00 38.71 H new HETATM 0 HA TLA A 301 13.246 17.813 12.737 1.00 42.48 H new HETATM 0 H3 TLA A 301 15.431 20.686 12.125 1.00 45.24 H new HETATM 0 H2 TLA A 301 14.411 19.102 10.804 1.00 42.24 H new HETATM 1562 O1 TLA A 302 -9.989 18.606 -24.814 1.00180.86 O HETATM 1563 O11 TLA A 302 -11.047 20.039 -23.590 1.00121.19 O HETATM 1564 C1 TLA A 302 -11.066 18.932 -24.223 1.00180.28 C HETATM 1565 C2 TLA A 302 -12.374 18.063 -24.336 1.00190.65 C HETATM 1566 O2 TLA A 302 -13.212 18.080 -23.136 1.00183.10 O HETATM 1567 C3 TLA A 302 -12.442 16.561 -24.798 1.00198.84 C HETATM 1568 O3 TLA A 302 -12.032 16.507 -26.235 1.00207.12 O HETATM 1569 C4 TLA A 302 -11.706 15.515 -23.943 1.00209.17 C HETATM 1570 O4 TLA A 302 -12.287 14.412 -23.712 1.00202.93 O HETATM 1571 O41 TLA A 302 -10.526 15.743 -23.541 1.00196.58 O HETATM 0 HB TLA A 302 -12.059 15.712 -26.505 1.00207.12 H new HETATM 0 HA TLA A 302 -14.017 17.979 -23.355 1.00183.10 H new HETATM 0 H3 TLA A 302 -13.363 16.285 -24.669 1.00198.84 H new HETATM 0 H2 TLA A 302 -12.654 18.572 -25.113 1.00190.65 H new HETATM 1572 O HOH A 401 8.271 16.884 -12.441 1.00 35.16 O HETATM 1573 O HOH A 402 3.713 12.407 4.018 1.00 43.76 O HETATM 1574 O HOH A 403 7.167 12.212 -19.657 1.00 40.25 O HETATM 1575 O HOH A 404 -26.643 11.599 1.536 1.00 31.19 O HETATM 1576 O HOH A 405 -0.088 26.501 8.768 1.00 22.10 O HETATM 1577 O HOH A 406 -4.200 30.522 -5.175 1.00 43.71 O HETATM 1578 O HOH A 407 -10.131 23.631 0.442 1.00 27.03 O HETATM 1579 O HOH A 408 -1.562 17.514 -0.727 1.00 25.56 O HETATM 1580 O HOH A 409 -13.278 21.462 -21.008 1.00 25.78 O HETATM 1581 O HOH A 410 -12.118 23.751 -12.128 1.00 32.09 O HETATM 1582 O HOH A 411 -1.831 17.296 -8.353 1.00 23.96 O HETATM 1583 O HOH A 412 4.623 16.378 -16.801 1.00 29.34 O HETATM 1584 O HOH A 413 0.614 18.896 -24.008 1.00 26.49 O HETATM 1585 O HOH A 414 9.511 24.004 11.034 1.00 21.03 O HETATM 1586 O HOH A 415 2.117 6.285 -11.630 1.00 26.19 O HETATM 1587 O HOH A 416 -3.881 12.226 -24.377 1.00 33.15 O HETATM 1588 O HOH A 417 1.918 21.159 4.273 1.00 28.09 O HETATM 1589 O HOH A 418 3.292 27.258 16.075 1.00 32.94 O HETATM 1590 O HOH A 419 -8.325 19.893 10.095 1.00 38.88 O HETATM 1591 O HOH A 420 -8.382 16.333 4.329 1.00 44.64 O HETATM 1592 O HOH A 421 -13.042 13.732 1.712 1.00 40.76 O HETATM 1593 O HOH A 422 4.923 16.564 18.581 1.00 34.57 O HETATM 1594 O HOH A 423 4.123 23.331 15.781 1.00 26.66 O HETATM 1595 O HOH A 424 7.338 12.005 -6.103 1.00 31.46 O HETATM 1596 O HOH A 425 3.467 21.111 9.972 1.00 22.10 O HETATM 1597 O HOH A 426 12.750 18.031 0.093 1.00 35.85 O HETATM 1598 O HOH A 427 9.577 14.504 -7.030 1.00 37.14 O HETATM 1599 O HOH A 428 -17.040 5.298 -8.639 1.00 44.71 O HETATM 1600 O HOH A 429 -3.517 27.721 9.950 1.00 42.31 O HETATM 1601 O HOH A 430 -7.562 24.431 5.747 1.00 59.22 O HETATM 1602 O HOH A 431 -3.741 7.901 -21.464 1.00 29.32 O HETATM 1603 O HOH A 432 -5.856 29.359 -1.668 1.00 37.15 O HETATM 1604 O HOH A 433 -22.940 10.905 -12.397 1.00 50.84 O HETATM 1605 O HOH A 434 2.770 33.081 -6.536 1.00 38.03 O HETATM 1606 O HOH A 435 1.816 20.342 12.113 1.00 18.84 O HETATM 1607 O HOH A 436 1.492 25.990 -17.565 1.00 37.65 O HETATM 1608 O HOH A 437 4.433 21.190 5.409 1.00 25.80 O HETATM 1609 O HOH A 438 6.445 10.197 -8.045 1.00 27.37 O HETATM 1610 O HOH A 439 -3.516 4.265 -1.212 1.00 32.04 O HETATM 1611 O HOH A 440 -22.793 12.009 -6.245 1.00 31.94 O HETATM 1612 O HOH A 441 4.276 26.395 -8.783 1.00 35.30 O HETATM 1613 O HOH A 442 -19.456 25.459 2.722 1.00 43.26 O HETATM 1614 O HOH A 443 -1.867 2.249 -8.207 1.00 28.82 O HETATM 1615 O HOH A 444 6.906 30.493 6.744 1.00 34.79 O HETATM 1616 O HOH A 445 -27.556 23.235 -10.934 1.00 51.80 O HETATM 1617 O HOH A 446 -1.351 28.145 -13.599 1.00 46.96 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