USER MOD reduce.3.24.130724 H: found=0, std=0, add=1478, rem=0, adj=55 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PLANT PROTEIN 08-JUL-16 5LH0 TITLE LOW DOSE THAUMATIN - 0-40 MS. COMPND MOL_ID: 1; COMPND 2 MOLECULE: THAUMATIN-1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: THAUMATIN I; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; SOURCE 3 ORGANISM_COMMON: KATEMFE; SOURCE 4 ORGANISM_TAXID: 4621; SOURCE 5 EXPRESSION_SYSTEM: THAUMATOCOCCUS DANIELLII; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 4621 KEYWDS MULTICRYSTAL, ROOM-TEMPERATURE, THAUMATIN, PLANT PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR R.SCHUBERT,S.KAPIS,M.HEYMANN,Y.GIQUEL,G.BOURENKOV,T.SCHNEIDER, AUTHOR 2 C.BETZEL,M.PERBANDT REVDAT 1 09-NOV-16 5LH0 0 JRNL AUTH R.SCHUBERT,S.KAPIS,Y.GIQUEL,G.BOURENKOV,T.SCHNEIDER, JRNL AUTH 2 M.HEYMANN,C.BETZEL,M.PERBANDT JRNL TITL A MULTICRYSTAL DIFFRACTION DATA-COLLECTION APPROACH FOR JRNL TITL 2 STUDYING STRUCTURAL DYNAMICS WITH MILLISECOND TEMPORAL JRNL TITL 3 RESOLUTION JRNL REF IUCRJ V. 3 393 2016 JRNL REFN ESSN 2052-2525 JRNL DOI 10.1107/S2052252516016304 REMARK 2 REMARK 2 RESOLUTION. 1.88 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0131 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.88 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.93 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 93.3 REMARK 3 NUMBER OF REFLECTIONS : 20283 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) : 0.189 REMARK 3 R VALUE (WORKING SET) : 0.188 REMARK 3 FREE R VALUE : 0.239 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.200 REMARK 3 FREE R VALUE TEST SET COUNT : 459 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.88 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.93 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1441 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 94.26 REMARK 3 BIN R VALUE (WORKING SET) : 0.2540 REMARK 3 BIN FREE R VALUE SET COUNT : 36 REMARK 3 BIN FREE R VALUE : 0.2460 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 : 10 REMARK 3 SOLVENT ATOMS : 51 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.64 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.01000 REMARK 3 B22 (A**2) : -0.01000 REMARK 3 B33 (A**2) : 0.02000 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): 0.124 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.130 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.096 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.331 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.952 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.932 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1603 ; 0.020 ; 0.020 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2177 ; 2.040 ; 1.952 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 206 ; 7.069 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 66 ;38.785 ;23.030 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 241 ;16.160 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;19.793 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 232 ; 0.139 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1235 ; 0.010 ; 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 ; 2.233 ; 2.013 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1032 ; 3.301 ; 2.998 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 776 ; 4.282 ; 2.417 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 5LH0 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_1200000719. 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 VERSION NOVEMBER 3, 2014 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20283 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.880 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 92.6 REMARK 200 DATA REDUNDANCY : 3.150 REMARK 200 R MERGE (I) : 0.15200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 5.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.88 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.95 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.52500 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 (%): 57.75 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 296K 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 75.79000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 29.22000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 29.22000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.89500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 29.22000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 29.22000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 113.68500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 29.22000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 29.22000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 37.89500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 29.22000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 29.22000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 113.68500 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 75.79000 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: 180 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9620 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 21 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ASP A 101 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ARG A 171 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 25 -139.74 55.68 REMARK 500 CYS A 71 74.39 -117.48 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 DBREF 5LH0 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 HETNAM TLA L(+)-TARTARIC ACID FORMUL 2 TLA C4 H6 O6 FORMUL 3 HOH *51(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 PHE A 203 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 TRP A 51 N ALA A 16 SHEET 4 AA2 6 LEU A 87 GLN A 94 -1 O ALA A 88 N ILE A 50 SHEET 5 AA2 6 LYS A 97 SER A 103 -1 O LYS A 97 N GLN A 94 SHEET 6 AA2 6 ALA A 180 PHE A 181 1 O PHE A 181 N ILE A 102 SHEET 1 AA3 5 GLY A 64 THR A 68 0 SHEET 2 AA3 5 GLY A 48 PHE A 58 -1 N TYR A 57 O ILE A 65 SHEET 3 AA3 5 LEU A 87 GLN A 94 -1 O ALA A 88 N ILE A 50 SHEET 4 AA3 5 LYS A 97 SER A 103 -1 O LYS A 97 N GLN A 94 SHEET 5 AA3 5 VAL A 191 PRO A 194 -1 O CYS A 193 N ASP A 98 SSBOND *** CYS A 9 CYS A 204 1555 1555 1.97 SSBOND *** CYS A 56 CYS A 66 1555 1555 2.05 SSBOND *** CYS A 71 CYS A 77 1555 1555 1.98 SSBOND *** CYS A 121 CYS A 193 1555 1555 2.06 SSBOND *** CYS A 126 CYS A 177 1555 1555 2.01 SSBOND *** CYS A 134 CYS A 145 1555 1555 2.04 SSBOND *** CYS A 149 CYS A 158 1555 1555 2.07 SSBOND *** CYS A 159 CYS A 164 1555 1555 1.98 CISPEP 1 PRO A 83 PRO A 84 0 4.33 SITE *** AC1 6 ARG A 29 GLU A 35 SER A 36 TYR A 157 SITE *** AC1 6 HOH A 403 HOH A 407 CRYST1 58.440 58.440 151.580 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 0.017112 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017112 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006597 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 301 TLA 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 Set 1.1: A 93 ASN :FLIP amide:sc= 0.846 F(o=-4.9!,f=1.1) USER MOD Set 1.2: A 196 SER OG : rot 180:sc= 0.261 USER MOD Set 2.1: A 167 THR OG1 : rot -116:sc= 1.16 USER MOD Set 2.2: A 170 SER OG : rot 93:sc= 1.84 USER MOD Set 3.1: A 155 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 160 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 113 ASN : amide:sc= 2.18 K(o=3,f=-2.6!) USER MOD Set 4.2: A 115 SER OG : rot -170:sc= 0.821 USER MOD Set 5.1: A 54 THR OG1 : rot 180:sc= 1.06 USER MOD Set 5.2: A 68 THR OG1 : rot -79:sc= 1.63 USER MOD Set 5.3: A 86 THR OG1 : rot 166:sc= 0.671 USER MOD Set 5.4: A 109 ASN :FLIP amide:sc= 1.85 F(o=-1.1!,f=5.2) USER MOD Set 6.1: A 46 ASN : amide:sc= -0.134 K(o=0.081,f=-1.8) USER MOD Set 6.2: A 94 GLN : amide:sc= 0.215 X(o=0.081,f=-0.38) USER MOD Set 7.1: A 12 THR OG1 : rot -106:sc= 0.532 USER MOD Set 7.2: A 30 GLN : amide:sc= 0.221 K(o=1,f=-0.48) USER MOD Set 7.3: A 32 ASN :FLIP amide:sc= 0.276 F(o=-2.1!,f=1) USER MOD Single : A 1 ALA N :NH3+ -170:sc= 1.28 (180deg=1.22) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.493 K(o=0.49,f=-5.9!) USER MOD Single : A 10 SER OG : rot -109:sc= 0.125 USER MOD Single : A 11 TYR OH : rot -106:sc= 0.0319 USER MOD Single : A 18 SER OG : rot 180:sc= 0.812 USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0.745 (180deg=0.486) USER MOD Single : A 33 SER OG : rot 77:sc= 1.21 USER MOD Single : A 36 SER OG : rot 99:sc= 2.46 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.363 F(o=-1.5,f=-0.36) USER MOD Single : A 45 THR OG1 : rot 66:sc= 1.29 USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0.781 (180deg=0.701) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -21:sc= 1.18 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+ -157:sc= 1.18 (180deg=0.912) USER MOD Single : A 85 THR OG1 : rot 42:sc= 2.26 USER MOD Single : A 91 SER OG : rot -118:sc= 1.14 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 168:sc= 1.55 USER MOD Single : A 104 ASN : amide:sc= -0.248 X(o=-0.25,f=0.075) USER MOD Single : A 106 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0298) USER MOD Single : A 112 MET CE :methyl -131:sc= -0.329 (180deg=-0.911) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 130:sc= 0.191 USER MOD Single : A 133 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.8) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 ASN : amide:sc=-0.00638 X(o=-0.0064,f=-0.0066) USER MOD Single : A 150 THR OG1 : rot 135:sc= 1.33 USER MOD Single : A 153 GLN : amide:sc= 0.0425 X(o=0.042,f=0) USER MOD Single : A 154 THR OG1 : rot -100:sc= 0.753 USER MOD Single : A 157 TYR OH : rot 168:sc= 1.24 USER MOD Single : A 161 THR OG1 : rot -62:sc= 0.126 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 TYR OH : rot 174:sc= 1.23 USER MOD Single : A 174 LYS NZ :NH3+ 161:sc= 1.34 (180deg=1.02) USER MOD Single : A 182 SER OG : rot -75:sc= 2.32 USER MOD Single : A 183 TYR OH : rot 180:sc= 0 USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 THR OG1 : rot 155:sc= 0.373 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot -70:sc= 0.237 USER MOD Single : A 197 SER OG : rot 58:sc= 1.32 USER MOD Single : A 198 ASN : amide:sc= 0.755 K(o=0.75,f=-3.2!) USER MOD Single : A 199 TYR OH : rot 159:sc= 0.148 USER MOD Single : A 202 THR OG1 : rot 83:sc= 0.871 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 301 TLA O2 : rot -9:sc= 0.0891 USER MOD Single : A 301 TLA O3 : rot 117:sc= 0.234 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.315 7.456 9.834 1.00 26.99 N ATOM 2 CA ALA A 1 -16.848 7.747 10.053 1.00 25.65 C ATOM 3 C ALA A 1 -16.808 8.743 11.184 1.00 24.67 C ATOM 4 O ALA A 1 -17.723 9.557 11.319 1.00 23.48 O ATOM 5 CB ALA A 1 -16.245 8.409 8.838 1.00 27.62 C ATOM 0 H1 ALA A 1 -18.401 6.767 9.277 1.00 26.99 H new ATOM 0 H2 ALA A 1 -18.698 7.258 10.613 1.00 26.99 H new ATOM 0 H3 ALA A 1 -18.711 8.172 9.483 1.00 26.99 H new ATOM 0 HA ALA A 1 -16.357 6.930 10.233 1.00 25.65 H new ATOM 0 HB1 ALA A 1 -15.305 8.587 8.999 1.00 27.62 H new ATOM 0 HB2 ALA A 1 -16.336 7.822 8.071 1.00 27.62 H new ATOM 0 HB3 ALA A 1 -16.706 9.244 8.662 1.00 27.62 H new ATOM 6 N THR A 2 -15.739 8.718 11.980 1.00 24.26 N ATOM 7 CA THR A 2 -15.631 9.716 13.061 1.00 21.81 C ATOM 8 C THR A 2 -14.577 10.787 12.651 1.00 21.20 C ATOM 9 O THR A 2 -13.500 10.480 12.111 1.00 21.18 O ATOM 10 CB THR A 2 -15.300 9.131 14.450 1.00 26.02 C ATOM 11 OG1 THR A 2 -13.913 9.121 14.615 1.00 36.23 O ATOM 12 CG2 THR A 2 -15.784 7.761 14.619 1.00 24.27 C ATOM 0 H THR A 2 -15.088 8.159 11.921 1.00 24.26 H new ATOM 0 HA THR A 2 -16.511 10.112 13.164 1.00 21.81 H new ATOM 0 HB THR A 2 -15.742 9.689 15.109 1.00 26.02 H new ATOM 0 HG1 THR A 2 -13.723 8.805 15.370 1.00 36.23 H new ATOM 0 HG21 THR A 2 -15.551 7.442 15.505 1.00 24.27 H new ATOM 0 HG22 THR A 2 -16.748 7.743 14.512 1.00 24.27 H new ATOM 0 HG23 THR A 2 -15.375 7.188 13.952 1.00 24.27 H new ATOM 13 N PHE A 3 -14.910 12.039 12.922 1.00 17.82 N ATOM 14 CA PHE A 3 -13.938 13.117 12.779 1.00 15.87 C ATOM 15 C PHE A 3 -13.733 13.756 14.167 1.00 15.77 C ATOM 16 O PHE A 3 -14.729 14.135 14.813 1.00 19.09 O ATOM 17 CB PHE A 3 -14.528 14.169 11.877 1.00 15.53 C ATOM 18 CG PHE A 3 -14.554 13.783 10.433 1.00 18.79 C ATOM 19 CD1 PHE A 3 -15.444 12.830 9.961 1.00 18.65 C ATOM 20 CD2 PHE A 3 -13.728 14.435 9.525 1.00 20.01 C ATOM 21 CE1 PHE A 3 -15.496 12.535 8.597 1.00 20.40 C ATOM 22 CE2 PHE A 3 -13.754 14.123 8.175 1.00 19.18 C ATOM 23 CZ PHE A 3 -14.651 13.185 7.723 1.00 21.46 C ATOM 0 H PHE A 3 -15.689 12.288 13.189 1.00 17.82 H new ATOM 0 HA PHE A 3 -13.103 12.780 12.419 1.00 15.87 H new ATOM 0 HB2 PHE A 3 -15.433 14.361 12.168 1.00 15.53 H new ATOM 0 HB3 PHE A 3 -14.019 14.989 11.975 1.00 15.53 H new ATOM 0 HD1 PHE A 3 -16.007 12.387 10.554 1.00 18.65 H new ATOM 0 HD2 PHE A 3 -13.146 15.094 9.829 1.00 20.01 H new ATOM 0 HE1 PHE A 3 -16.099 11.902 8.279 1.00 20.40 H new ATOM 0 HE2 PHE A 3 -13.172 14.543 7.583 1.00 19.18 H new ATOM 0 HZ PHE A 3 -14.688 12.986 6.815 1.00 21.46 H new ATOM 24 N GLU A 4 -12.486 13.934 14.567 1.00 14.81 N ATOM 25 CA GLU A 4 -12.180 14.722 15.818 1.00 15.46 C ATOM 26 C GLU A 4 -11.730 16.104 15.349 1.00 16.00 C ATOM 27 O GLU A 4 -10.787 16.230 14.557 1.00 17.04 O ATOM 28 CB GLU A 4 -11.056 14.095 16.607 1.00 17.24 C ATOM 29 CG GLU A 4 -10.914 14.832 17.917 1.00 19.92 C ATOM 30 CD GLU A 4 -9.872 14.226 18.864 1.00 24.58 C ATOM 31 OE1 GLU A 4 -8.744 13.889 18.430 1.00 24.48 O ATOM 32 OE2 GLU A 4 -10.231 14.114 20.072 1.00 27.10 O ATOM 0 H GLU A 4 -11.796 13.625 14.157 1.00 14.81 H new ATOM 0 HA GLU A 4 -12.962 14.752 16.391 1.00 15.46 H new ATOM 0 HB2 GLU A 4 -11.241 13.156 16.768 1.00 17.24 H new ATOM 0 HB3 GLU A 4 -10.227 14.139 16.105 1.00 17.24 H new ATOM 0 HG2 GLU A 4 -10.674 15.754 17.734 1.00 19.92 H new ATOM 0 HG3 GLU A 4 -11.775 14.846 18.364 1.00 19.92 H new ATOM 33 N ILE A 5 -12.430 17.136 15.801 1.00 14.24 N ATOM 34 CA ILE A 5 -12.108 18.469 15.388 1.00 13.78 C ATOM 35 C ILE A 5 -11.472 19.141 16.615 1.00 15.26 C ATOM 36 O ILE A 5 -12.097 19.282 17.681 1.00 17.97 O ATOM 37 CB ILE A 5 -13.382 19.179 14.877 1.00 15.21 C ATOM 38 CG1 ILE A 5 -13.957 18.406 13.695 1.00 16.86 C ATOM 39 CG2 ILE A 5 -13.089 20.619 14.443 1.00 15.85 C ATOM 40 CD1 ILE A 5 -15.386 18.879 13.403 1.00 20.41 C ATOM 0 H ILE A 5 -13.092 17.075 16.346 1.00 14.24 H new ATOM 0 HA ILE A 5 -11.484 18.502 14.646 1.00 13.78 H new ATOM 0 HB ILE A 5 -14.022 19.206 15.606 1.00 15.21 H new ATOM 0 HG12 ILE A 5 -13.399 18.536 12.912 1.00 16.86 H new ATOM 0 HG13 ILE A 5 -13.956 17.456 13.889 1.00 16.86 H new ATOM 0 HG21 ILE A 5 -13.907 21.035 14.129 1.00 15.85 H new ATOM 0 HG22 ILE A 5 -12.741 21.120 15.197 1.00 15.85 H new ATOM 0 HG23 ILE A 5 -12.433 20.615 13.728 1.00 15.85 H new ATOM 0 HD11 ILE A 5 -15.744 18.383 12.650 1.00 20.41 H new ATOM 0 HD12 ILE A 5 -15.943 18.729 14.183 1.00 20.41 H new ATOM 0 HD13 ILE A 5 -15.377 19.825 13.191 1.00 20.41 H new ATOM 41 N VAL A 6 -10.252 19.599 16.439 1.00 15.09 N ATOM 42 CA VAL A 6 -9.443 20.103 17.546 1.00 14.57 C ATOM 43 C VAL A 6 -9.077 21.576 17.277 1.00 13.06 C ATOM 44 O VAL A 6 -8.548 21.907 16.196 1.00 12.39 O ATOM 45 CB VAL A 6 -8.145 19.286 17.705 1.00 15.62 C ATOM 46 CG1 VAL A 6 -7.343 19.813 18.871 1.00 14.47 C ATOM 47 CG2 VAL A 6 -8.465 17.818 17.911 1.00 16.08 C ATOM 0 H VAL A 6 -9.860 19.630 15.674 1.00 15.09 H new ATOM 0 HA VAL A 6 -9.960 20.023 18.363 1.00 14.57 H new ATOM 0 HB VAL A 6 -7.620 19.376 16.895 1.00 15.62 H new ATOM 0 HG11 VAL A 6 -6.529 19.294 18.965 1.00 14.47 H new ATOM 0 HG12 VAL A 6 -7.117 20.743 18.715 1.00 14.47 H new ATOM 0 HG13 VAL A 6 -7.867 19.740 19.684 1.00 14.47 H new ATOM 0 HG21 VAL A 6 -7.640 17.317 18.009 1.00 16.08 H new ATOM 0 HG22 VAL A 6 -9.004 17.713 18.711 1.00 16.08 H new ATOM 0 HG23 VAL A 6 -8.956 17.483 17.145 1.00 16.08 H new ATOM 48 N ASN A 7 -9.420 22.472 18.247 1.00 12.58 N ATOM 49 CA ASN A 7 -8.957 23.848 18.161 1.00 13.02 C ATOM 50 C ASN A 7 -7.598 24.035 18.869 1.00 14.14 C ATOM 51 O ASN A 7 -7.594 24.140 20.098 1.00 15.80 O ATOM 52 CB ASN A 7 -9.966 24.813 18.751 1.00 13.22 C ATOM 53 CG ASN A 7 -9.497 26.248 18.593 1.00 14.30 C ATOM 54 OD1 ASN A 7 -8.674 26.521 17.724 1.00 12.75 O ATOM 55 ND2 ASN A 7 -10.008 27.137 19.381 1.00 14.75 N ATOM 0 H ASN A 7 -9.905 22.291 18.934 1.00 12.58 H new ATOM 0 HA ASN A 7 -8.849 24.044 17.217 1.00 13.02 H new ATOM 0 HB2 ASN A 7 -10.824 24.699 18.313 1.00 13.22 H new ATOM 0 HB3 ASN A 7 -10.099 24.614 19.691 1.00 13.22 H new ATOM 0 HD21 ASN A 7 -9.774 27.961 19.309 1.00 14.75 H new ATOM 0 HD22 ASN A 7 -10.582 26.904 19.977 1.00 14.75 H new ATOM 56 N ARG A 8 -6.484 24.069 18.122 1.00 13.29 N ATOM 57 CA ARG A 8 -5.177 24.376 18.730 1.00 12.93 C ATOM 58 C ARG A 8 -4.848 25.915 18.718 1.00 13.97 C ATOM 59 O ARG A 8 -3.807 26.349 19.210 1.00 14.06 O ATOM 60 CB ARG A 8 -4.112 23.527 18.092 1.00 13.92 C ATOM 61 CG ARG A 8 -2.761 23.522 18.844 1.00 13.25 C ATOM 62 CD ARG A 8 -1.779 22.563 18.193 1.00 15.00 C ATOM 63 NE ARG A 8 -2.216 21.184 18.407 1.00 16.08 N ATOM 64 CZ ARG A 8 -1.871 20.135 17.659 1.00 18.67 C ATOM 65 NH1 ARG A 8 -1.103 20.308 16.583 1.00 16.61 N ATOM 66 NH2 ARG A 8 -2.408 18.923 17.921 1.00 18.31 N ATOM 0 H ARG A 8 -6.462 23.920 17.275 1.00 13.29 H new ATOM 0 HA ARG A 8 -5.211 24.147 19.672 1.00 12.93 H new ATOM 0 HB2 ARG A 8 -4.437 22.615 18.027 1.00 13.92 H new ATOM 0 HB3 ARG A 8 -3.964 23.840 17.186 1.00 13.92 H new ATOM 0 HG2 ARG A 8 -2.388 24.417 18.851 1.00 13.25 H new ATOM 0 HG3 ARG A 8 -2.903 23.267 19.769 1.00 13.25 H new ATOM 0 HD2 ARG A 8 -1.716 22.747 17.243 1.00 15.00 H new ATOM 0 HD3 ARG A 8 -0.893 22.692 18.566 1.00 15.00 H new ATOM 0 HE ARG A 8 -2.741 21.037 19.072 1.00 16.08 H new ATOM 0 HH11 ARG A 8 -0.830 21.096 16.372 1.00 16.61 H new ATOM 0 HH12 ARG A 8 -0.880 19.632 16.100 1.00 16.61 H new ATOM 0 HH21 ARG A 8 -2.969 18.832 18.567 1.00 18.31 H new ATOM 0 HH22 ARG A 8 -2.189 18.243 17.442 1.00 18.31 H new ATOM 67 N CYS A 9 -5.723 26.734 18.162 1.00 14.03 N ATOM 68 CA CYS A 9 -5.547 28.188 18.101 1.00 13.82 C ATOM 69 C CYS A 9 -5.577 28.739 19.522 1.00 16.05 C ATOM 70 O CYS A 9 -6.250 28.173 20.416 1.00 14.72 O ATOM 71 CB CYS A 9 -6.665 28.860 17.335 1.00 13.85 C ATOM 72 SG CYS A 9 -6.741 28.214 15.634 1.00 15.08 S ATOM 0 H CYS A 9 -6.454 26.462 17.800 1.00 14.03 H new ATOM 0 HA CYS A 9 -4.705 28.366 17.653 1.00 13.82 H new ATOM 0 HB2 CYS A 9 -7.511 28.707 17.784 1.00 13.85 H new ATOM 0 HB3 CYS A 9 -6.523 29.819 17.317 1.00 13.85 H new ATOM 73 N SER A 10 -4.979 29.902 19.715 1.00 16.48 N ATOM 74 CA SER A 10 -5.075 30.545 21.083 1.00 19.27 C ATOM 75 C SER A 10 -6.377 31.310 21.299 1.00 21.47 C ATOM 76 O SER A 10 -6.618 31.869 22.378 1.00 22.97 O ATOM 77 CB SER A 10 -3.891 31.496 21.253 1.00 20.03 C ATOM 78 OG SER A 10 -3.940 32.418 20.136 1.00 23.59 O ATOM 0 H SER A 10 -4.531 30.338 19.125 1.00 16.48 H new ATOM 0 HA SER A 10 -5.059 29.835 21.744 1.00 19.27 H new ATOM 0 HB2 SER A 10 -3.949 31.972 22.096 1.00 20.03 H new ATOM 0 HB3 SER A 10 -3.053 31.007 21.260 1.00 20.03 H new ATOM 0 HG SER A 10 -3.308 32.253 19.608 1.00 23.59 H new ATOM 79 N TYR A 11 -7.226 31.351 20.270 1.00 18.84 N ATOM 80 CA TYR A 11 -8.504 32.021 20.300 1.00 17.43 C ATOM 81 C TYR A 11 -9.638 31.029 20.059 1.00 16.38 C ATOM 82 O TYR A 11 -9.411 29.981 19.510 1.00 16.96 O ATOM 83 CB TYR A 11 -8.498 33.135 19.208 1.00 20.08 C ATOM 84 CG TYR A 11 -8.007 32.712 17.807 1.00 19.25 C ATOM 85 CD1 TYR A 11 -8.902 32.171 16.873 1.00 18.49 C ATOM 86 CD2 TYR A 11 -6.671 32.885 17.410 1.00 16.79 C ATOM 87 CE1 TYR A 11 -8.480 31.774 15.616 1.00 18.22 C ATOM 88 CE2 TYR A 11 -6.250 32.511 16.121 1.00 18.03 C ATOM 89 CZ TYR A 11 -7.192 31.957 15.230 1.00 19.17 C ATOM 90 OH TYR A 11 -6.842 31.549 13.958 1.00 18.10 O ATOM 0 H TYR A 11 -7.059 30.974 19.515 1.00 18.84 H new ATOM 0 HA TYR A 11 -8.649 32.419 21.173 1.00 17.43 H new ATOM 0 HB2 TYR A 11 -9.399 33.484 19.123 1.00 20.08 H new ATOM 0 HB3 TYR A 11 -7.940 33.865 19.520 1.00 20.08 H new ATOM 0 HD1 TYR A 11 -9.798 32.077 17.103 1.00 18.49 H new ATOM 0 HD2 TYR A 11 -6.058 33.251 18.006 1.00 16.79 H new ATOM 0 HE1 TYR A 11 -9.085 31.378 15.031 1.00 18.22 H new ATOM 0 HE2 TYR A 11 -5.365 32.627 15.861 1.00 18.03 H new ATOM 0 HH TYR A 11 -6.392 30.841 14.004 1.00 18.10 H new ATOM 91 N THR A 12 -10.862 31.336 20.485 1.00 15.98 N ATOM 92 CA THR A 12 -12.044 30.467 20.270 1.00 16.00 C ATOM 93 C THR A 12 -12.430 30.464 18.833 1.00 16.69 C ATOM 94 O THR A 12 -12.408 31.515 18.173 1.00 16.15 O ATOM 95 CB THR A 12 -13.215 31.044 21.045 1.00 17.37 C ATOM 96 OG1 THR A 12 -12.766 31.167 22.393 1.00 19.71 O ATOM 97 CG2 THR A 12 -14.481 30.162 21.020 1.00 17.45 C ATOM 0 H THR A 12 -11.041 32.060 20.913 1.00 15.98 H new ATOM 0 HA THR A 12 -11.826 29.567 20.560 1.00 16.00 H new ATOM 0 HB THR A 12 -13.473 31.886 20.638 1.00 17.37 H new ATOM 0 HG1 THR A 12 -13.126 30.571 22.864 1.00 19.71 H new ATOM 0 HG21 THR A 12 -15.184 30.591 21.532 1.00 17.45 H new ATOM 0 HG22 THR A 12 -14.775 30.044 20.103 1.00 17.45 H new ATOM 0 HG23 THR A 12 -14.280 29.296 21.409 1.00 17.45 H new ATOM 98 N VAL A 13 -12.852 29.300 18.331 1.00 14.72 N ATOM 99 CA VAL A 13 -13.453 29.223 16.963 1.00 14.52 C ATOM 100 C VAL A 13 -14.777 28.526 17.164 1.00 15.58 C ATOM 101 O VAL A 13 -14.963 27.789 18.221 1.00 17.09 O ATOM 102 CB VAL A 13 -12.536 28.478 15.917 1.00 13.84 C ATOM 103 CG1 VAL A 13 -11.188 29.246 15.795 1.00 15.02 C ATOM 104 CG2 VAL A 13 -12.347 27.008 16.280 1.00 15.51 C ATOM 0 H VAL A 13 -12.807 28.548 18.747 1.00 14.72 H new ATOM 0 HA VAL A 13 -13.559 30.107 16.578 1.00 14.52 H new ATOM 0 HB VAL A 13 -12.968 28.476 15.048 1.00 13.84 H new ATOM 0 HG11 VAL A 13 -10.616 28.796 15.154 1.00 15.02 H new ATOM 0 HG12 VAL A 13 -11.358 30.153 15.496 1.00 15.02 H new ATOM 0 HG13 VAL A 13 -10.749 29.268 16.660 1.00 15.02 H new ATOM 0 HG21 VAL A 13 -11.780 26.581 15.618 1.00 15.51 H new ATOM 0 HG22 VAL A 13 -11.931 26.941 17.153 1.00 15.51 H new ATOM 0 HG23 VAL A 13 -13.210 26.566 16.299 1.00 15.51 H new ATOM 105 N TRP A 14 -15.679 28.737 16.208 1.00 12.59 N ATOM 106 CA TRP A 14 -16.900 28.034 16.223 1.00 14.50 C ATOM 107 C TRP A 14 -16.816 27.091 15.058 1.00 14.88 C ATOM 108 O TRP A 14 -16.912 27.518 13.899 1.00 14.68 O ATOM 109 CB TRP A 14 -18.080 28.971 16.100 1.00 14.43 C ATOM 110 CG TRP A 14 -18.348 29.746 17.416 1.00 17.25 C ATOM 111 CD1 TRP A 14 -19.338 29.474 18.340 1.00 18.40 C ATOM 112 CD2 TRP A 14 -17.567 30.836 17.959 1.00 17.61 C ATOM 113 NE1 TRP A 14 -19.236 30.354 19.403 1.00 17.91 N ATOM 114 CE2 TRP A 14 -18.155 31.188 19.206 1.00 18.32 C ATOM 115 CE3 TRP A 14 -16.430 31.569 17.497 1.00 17.43 C ATOM 116 CZ2 TRP A 14 -17.675 32.251 19.984 1.00 18.77 C ATOM 117 CZ3 TRP A 14 -15.929 32.613 18.280 1.00 17.50 C ATOM 118 CH2 TRP A 14 -16.572 32.969 19.496 1.00 16.54 C ATOM 0 H TRP A 14 -15.581 29.287 15.554 1.00 12.59 H new ATOM 0 HA TRP A 14 -17.037 27.562 17.059 1.00 14.50 H new ATOM 0 HB2 TRP A 14 -17.917 29.602 15.382 1.00 14.43 H new ATOM 0 HB3 TRP A 14 -18.871 28.464 15.858 1.00 14.43 H new ATOM 0 HD1 TRP A 14 -19.976 28.802 18.260 1.00 18.40 H new ATOM 0 HE1 TRP A 14 -19.764 30.377 20.081 1.00 17.91 H new ATOM 0 HE3 TRP A 14 -16.029 31.354 16.686 1.00 17.43 H new ATOM 0 HZ2 TRP A 14 -18.073 32.473 20.795 1.00 18.77 H new ATOM 0 HZ3 TRP A 14 -15.172 33.077 18.004 1.00 17.50 H new ATOM 0 HH2 TRP A 14 -16.254 33.696 19.981 1.00 16.54 H new ATOM 119 N ALA A 15 -16.625 25.808 15.326 1.00 14.34 N ATOM 120 CA ALA A 15 -16.473 24.842 14.230 1.00 12.86 C ATOM 121 C ALA A 15 -17.825 24.673 13.531 1.00 12.79 C ATOM 122 O ALA A 15 -18.861 24.923 14.155 1.00 12.93 O ATOM 123 CB ALA A 15 -15.974 23.497 14.798 1.00 12.69 C ATOM 0 H ALA A 15 -16.580 25.474 16.117 1.00 14.34 H new ATOM 0 HA ALA A 15 -15.823 25.160 13.585 1.00 12.86 H new ATOM 0 HB1 ALA A 15 -15.873 22.858 14.075 1.00 12.69 H new ATOM 0 HB2 ALA A 15 -15.118 23.628 15.235 1.00 12.69 H new ATOM 0 HB3 ALA A 15 -16.617 23.159 15.441 1.00 12.69 H new ATOM 124 N ALA A 16 -17.787 24.268 12.254 1.00 12.56 N ATOM 125 CA ALA A 16 -18.985 24.042 11.460 1.00 13.99 C ATOM 126 C ALA A 16 -18.746 22.793 10.583 1.00 15.50 C ATOM 127 O ALA A 16 -17.585 22.486 10.180 1.00 12.96 O ATOM 128 CB ALA A 16 -19.309 25.294 10.605 1.00 15.19 C ATOM 0 H ALA A 16 -17.055 24.118 11.828 1.00 12.56 H new ATOM 0 HA ALA A 16 -19.753 23.888 12.032 1.00 13.99 H new ATOM 0 HB1 ALA A 16 -20.109 25.130 10.081 1.00 15.19 H new ATOM 0 HB2 ALA A 16 -19.455 26.055 11.188 1.00 15.19 H new ATOM 0 HB3 ALA A 16 -18.566 25.481 10.010 1.00 15.19 H new ATOM 129 N ALA A 17 -19.830 22.029 10.314 1.00 14.33 N ATOM 130 CA ALA A 17 -19.759 20.797 9.516 1.00 16.70 C ATOM 131 C ALA A 17 -21.122 20.672 8.771 1.00 18.71 C ATOM 132 O ALA A 17 -22.177 20.574 9.418 1.00 20.39 O ATOM 133 CB ALA A 17 -19.554 19.573 10.424 1.00 16.38 C ATOM 0 H ALA A 17 -20.622 22.217 10.592 1.00 14.33 H new ATOM 0 HA ALA A 17 -19.013 20.833 8.897 1.00 16.70 H new ATOM 0 HB1 ALA A 17 -19.510 18.771 9.881 1.00 16.38 H new ATOM 0 HB2 ALA A 17 -18.727 19.673 10.920 1.00 16.38 H new ATOM 0 HB3 ALA A 17 -20.296 19.502 11.044 1.00 16.38 H new ATOM 134 N SER A 18 -21.109 20.648 7.454 1.00 17.25 N ATOM 135 CA SER A 18 -22.369 20.726 6.685 1.00 18.31 C ATOM 136 C SER A 18 -22.085 19.940 5.403 1.00 20.74 C ATOM 137 O SER A 18 -20.906 19.826 4.997 1.00 16.59 O ATOM 138 CB SER A 18 -22.633 22.156 6.276 1.00 20.57 C ATOM 139 OG SER A 18 -23.751 22.236 5.418 1.00 24.08 O ATOM 0 H SER A 18 -20.397 20.588 6.976 1.00 17.25 H new ATOM 0 HA SER A 18 -23.122 20.394 7.198 1.00 18.31 H new ATOM 0 HB2 SER A 18 -22.787 22.699 7.065 1.00 20.57 H new ATOM 0 HB3 SER A 18 -21.852 22.518 5.830 1.00 20.57 H new ATOM 0 HG SER A 18 -23.883 23.037 5.203 1.00 24.08 H new ATOM 140 N LYS A 19 -23.135 19.372 4.780 1.00 22.36 N ATOM 141 CA LYS A 19 -22.987 18.901 3.381 1.00 22.45 C ATOM 142 C LYS A 19 -23.750 19.835 2.463 1.00 24.59 C ATOM 143 O LYS A 19 -24.011 19.468 1.323 1.00 27.11 O ATOM 144 CB LYS A 19 -23.446 17.449 3.157 1.00 27.16 C ATOM 145 CG LYS A 19 -24.837 17.101 3.669 1.00 28.29 C ATOM 146 CD LYS A 19 -25.018 15.573 3.534 1.00 35.58 C ATOM 147 CE LYS A 19 -26.468 15.142 3.588 1.00 37.43 C ATOM 148 NZ LYS A 19 -27.101 15.571 2.280 1.00 41.52 N ATOM 0 H LYS A 19 -23.911 19.252 5.130 1.00 22.36 H new ATOM 0 HA LYS A 19 -22.038 18.911 3.179 1.00 22.45 H new ATOM 0 HB2 LYS A 19 -23.415 17.262 2.206 1.00 27.16 H new ATOM 0 HB3 LYS A 19 -22.807 16.857 3.583 1.00 27.16 H new ATOM 0 HG2 LYS A 19 -24.938 17.375 4.594 1.00 28.29 H new ATOM 0 HG3 LYS A 19 -25.515 17.571 3.158 1.00 28.29 H new ATOM 0 HD2 LYS A 19 -24.630 15.279 2.695 1.00 35.58 H new ATOM 0 HD3 LYS A 19 -24.528 15.130 4.244 1.00 35.58 H new ATOM 0 HE2 LYS A 19 -26.537 14.182 3.705 1.00 37.43 H new ATOM 0 HE3 LYS A 19 -26.921 15.553 4.341 1.00 37.43 H new ATOM 0 HZ1 LYS A 19 -27.866 15.132 2.162 1.00 41.52 H new ATOM 0 HZ2 LYS A 19 -27.261 16.446 2.300 1.00 41.52 H new ATOM 0 HZ3 LYS A 19 -26.548 15.387 1.608 1.00 41.52 H new ATOM 149 N GLY A 20 -24.062 21.043 2.948 1.00 24.33 N ATOM 150 CA GLY A 20 -24.536 22.132 2.095 1.00 26.30 C ATOM 151 C GLY A 20 -26.030 22.256 2.029 1.00 28.72 C ATOM 152 O GLY A 20 -26.532 23.372 1.834 1.00 27.32 O ATOM 0 H GLY A 20 -24.004 21.250 3.781 1.00 24.33 H new ATOM 0 HA2 GLY A 20 -24.166 22.968 2.420 1.00 26.30 H new ATOM 0 HA3 GLY A 20 -24.193 21.999 1.198 1.00 26.30 H new ATOM 153 N ASP A 21 -26.722 21.127 2.176 1.00 27.40 N ATOM 154 CA ASP A 21 -28.184 21.119 2.433 1.00 31.54 C ATOM 155 C ASP A 21 -28.596 20.484 3.780 1.00 33.01 C ATOM 156 O ASP A 21 -29.797 20.243 4.022 1.00 30.72 O ATOM 157 CB ASP A 21 -28.907 20.401 1.292 1.00 35.27 C ATOM 158 CG ASP A 21 -28.375 18.982 1.038 1.00 37.44 C ATOM 159 OD1 ASP A 21 -27.682 18.333 1.864 1.00 38.10 O ATOM 160 OD2 ASP A 21 -28.680 18.475 -0.031 1.00 44.50 O ATOM 0 H ASP A 21 -26.369 20.344 2.132 1.00 27.40 H new ATOM 0 HA ASP A 21 -28.446 22.052 2.483 1.00 31.54 H new ATOM 0 HB2 ASP A 21 -29.854 20.354 1.496 1.00 35.27 H new ATOM 0 HB3 ASP A 21 -28.818 20.924 0.480 1.00 35.27 H new ATOM 161 N ALA A 22 -27.633 20.165 4.646 1.00 26.44 N ATOM 162 CA ALA A 22 -27.957 19.577 5.926 1.00 22.23 C ATOM 163 C ALA A 22 -26.765 19.739 6.784 1.00 21.37 C ATOM 164 O ALA A 22 -25.623 19.633 6.232 1.00 21.36 O ATOM 165 CB ALA A 22 -28.208 18.102 5.757 1.00 21.34 C ATOM 0 H ALA A 22 -26.793 20.284 4.505 1.00 26.44 H new ATOM 0 HA ALA A 22 -28.744 19.999 6.306 1.00 22.23 H new ATOM 0 HB1 ALA A 22 -28.425 17.710 6.617 1.00 21.34 H new ATOM 0 HB2 ALA A 22 -28.948 17.968 5.145 1.00 21.34 H new ATOM 0 HB3 ALA A 22 -27.412 17.677 5.400 1.00 21.34 H new ATOM 166 N ALA A 23 -27.010 19.866 8.104 1.00 19.80 N ATOM 167 CA ALA A 23 -25.909 19.788 9.114 1.00 21.17 C ATOM 168 C ALA A 23 -25.275 18.385 9.068 1.00 25.26 C ATOM 169 O ALA A 23 -25.972 17.411 8.742 1.00 27.83 O ATOM 170 CB ALA A 23 -26.385 20.095 10.520 1.00 20.18 C ATOM 0 H ALA A 23 -27.792 19.996 8.438 1.00 19.80 H new ATOM 0 HA ALA A 23 -25.252 20.464 8.885 1.00 21.17 H new ATOM 0 HB1 ALA A 23 -25.638 20.032 11.136 1.00 20.18 H new ATOM 0 HB2 ALA A 23 -26.752 20.992 10.549 1.00 20.18 H new ATOM 0 HB3 ALA A 23 -27.070 19.458 10.776 1.00 20.18 H new ATOM 171 N LEU A 24 -23.963 18.273 9.301 1.00 20.06 N ATOM 172 CA LEU A 24 -23.367 16.963 9.633 1.00 20.38 C ATOM 173 C LEU A 24 -23.248 16.956 11.164 1.00 21.71 C ATOM 174 O LEU A 24 -22.740 17.916 11.769 1.00 22.80 O ATOM 175 CB LEU A 24 -21.973 16.785 9.025 1.00 19.23 C ATOM 176 CG LEU A 24 -21.934 16.718 7.485 1.00 20.96 C ATOM 177 CD1 LEU A 24 -20.481 16.577 7.058 1.00 17.98 C ATOM 178 CD2 LEU A 24 -22.803 15.555 6.937 1.00 20.84 C ATOM 0 H LEU A 24 -23.406 18.928 9.274 1.00 20.06 H new ATOM 0 HA LEU A 24 -23.915 16.244 9.281 1.00 20.38 H new ATOM 0 HB2 LEU A 24 -21.412 17.520 9.317 1.00 19.23 H new ATOM 0 HB3 LEU A 24 -21.582 15.971 9.380 1.00 19.23 H new ATOM 0 HG LEU A 24 -22.311 17.531 7.114 1.00 20.96 H new ATOM 0 HD11 LEU A 24 -20.431 16.533 6.090 1.00 17.98 H new ATOM 0 HD12 LEU A 24 -19.975 17.342 7.373 1.00 17.98 H new ATOM 0 HD13 LEU A 24 -20.109 15.766 7.438 1.00 17.98 H new ATOM 0 HD21 LEU A 24 -22.755 15.543 5.968 1.00 20.84 H new ATOM 0 HD22 LEU A 24 -22.474 14.712 7.287 1.00 20.84 H new ATOM 0 HD23 LEU A 24 -23.724 15.681 7.213 1.00 20.84 H new ATOM 179 N ASP A 25 -23.770 15.899 11.777 1.00 20.70 N ATOM 180 CA ASP A 25 -23.862 15.761 13.231 1.00 20.71 C ATOM 181 C ASP A 25 -24.632 17.010 13.704 1.00 21.27 C ATOM 182 O ASP A 25 -25.600 17.426 13.026 1.00 20.86 O ATOM 183 CB ASP A 25 -22.438 15.567 13.828 1.00 20.89 C ATOM 184 CG ASP A 25 -22.433 14.969 15.222 1.00 25.83 C ATOM 185 OD1 ASP A 25 -22.794 15.702 16.164 1.00 26.41 O ATOM 186 OD2 ASP A 25 -21.964 13.825 15.364 1.00 25.60 O ATOM 0 H ASP A 25 -24.089 15.224 11.350 1.00 20.70 H new ATOM 0 HA ASP A 25 -24.344 14.976 13.536 1.00 20.71 H new ATOM 0 HB2 ASP A 25 -21.925 14.994 13.238 1.00 20.89 H new ATOM 0 HB3 ASP A 25 -21.987 16.426 13.852 1.00 20.89 H new ATOM 187 N ALA A 26 -24.226 17.605 14.818 1.00 20.68 N ATOM 188 CA ALA A 26 -24.869 18.832 15.316 1.00 21.77 C ATOM 189 C ALA A 26 -24.736 20.064 14.420 1.00 21.13 C ATOM 190 O ALA A 26 -25.473 21.029 14.580 1.00 25.03 O ATOM 191 CB ALA A 26 -24.361 19.131 16.743 1.00 22.78 C ATOM 0 H ALA A 26 -23.579 17.319 15.307 1.00 20.68 H new ATOM 0 HA ALA A 26 -25.821 18.647 15.316 1.00 21.77 H new ATOM 0 HB1 ALA A 26 -24.783 19.939 17.074 1.00 22.78 H new ATOM 0 HB2 ALA A 26 -24.582 18.389 17.327 1.00 22.78 H new ATOM 0 HB3 ALA A 26 -23.399 19.253 16.725 1.00 22.78 H new ATOM 192 N GLY A 27 -23.796 20.047 13.478 1.00 20.53 N ATOM 193 CA GLY A 27 -23.588 21.149 12.528 1.00 19.63 C ATOM 194 C GLY A 27 -22.672 22.268 13.013 1.00 20.90 C ATOM 195 O GLY A 27 -22.088 22.955 12.192 1.00 17.07 O ATOM 0 H GLY A 27 -23.253 19.389 13.368 1.00 20.53 H new ATOM 0 HA2 GLY A 27 -23.221 20.784 11.708 1.00 19.63 H new ATOM 0 HA3 GLY A 27 -24.451 21.532 12.306 1.00 19.63 H new ATOM 196 N GLY A 28 -22.531 22.478 14.319 1.00 17.75 N ATOM 197 CA GLY A 28 -21.616 23.550 14.760 1.00 18.77 C ATOM 198 C GLY A 28 -21.519 23.558 16.252 1.00 20.71 C ATOM 199 O GLY A 28 -22.484 23.201 16.941 1.00 21.86 O ATOM 0 H GLY A 28 -22.929 22.041 14.944 1.00 17.75 H new ATOM 0 HA2 GLY A 28 -20.737 23.415 14.372 1.00 18.77 H new ATOM 0 HA3 GLY A 28 -21.937 24.409 14.445 1.00 18.77 H new ATOM 200 N ARG A 29 -20.368 23.975 16.770 1.00 18.73 N ATOM 201 CA ARG A 29 -20.160 24.086 18.205 1.00 17.61 C ATOM 202 C ARG A 29 -19.048 25.077 18.483 1.00 16.33 C ATOM 203 O ARG A 29 -18.134 25.259 17.678 1.00 14.63 O ATOM 204 CB ARG A 29 -19.729 22.722 18.748 1.00 19.90 C ATOM 205 CG ARG A 29 -20.311 22.468 20.111 1.00 23.02 C ATOM 206 CD ARG A 29 -19.466 21.359 20.718 1.00 23.78 C ATOM 207 NE ARG A 29 -18.284 21.928 21.336 1.00 22.26 N ATOM 208 CZ ARG A 29 -17.405 21.224 22.051 1.00 21.22 C ATOM 209 NH1 ARG A 29 -17.628 19.907 22.211 1.00 18.10 N ATOM 210 NH2 ARG A 29 -16.362 21.855 22.641 1.00 19.50 N ATOM 0 H ARG A 29 -19.686 24.201 16.297 1.00 18.73 H new ATOM 0 HA ARG A 29 -20.982 24.381 18.627 1.00 17.61 H new ATOM 0 HB2 ARG A 29 -20.013 22.024 18.137 1.00 19.90 H new ATOM 0 HB3 ARG A 29 -18.761 22.681 18.795 1.00 19.90 H new ATOM 0 HG2 ARG A 29 -20.280 23.269 20.658 1.00 23.02 H new ATOM 0 HG3 ARG A 29 -21.242 22.203 20.049 1.00 23.02 H new ATOM 0 HD2 ARG A 29 -19.983 20.870 21.377 1.00 23.78 H new ATOM 0 HD3 ARG A 29 -19.209 20.724 20.032 1.00 23.78 H new ATOM 0 HE ARG A 29 -18.141 22.770 21.235 1.00 22.26 H new ATOM 0 HH11 ARG A 29 -18.322 19.542 21.857 1.00 18.10 H new ATOM 0 HH12 ARG A 29 -17.077 19.430 22.667 1.00 18.10 H new ATOM 0 HH21 ARG A 29 -16.269 22.705 22.554 1.00 19.50 H new ATOM 0 HH22 ARG A 29 -15.793 21.405 23.103 1.00 19.50 H new ATOM 211 N GLN A 30 -19.124 25.733 19.608 1.00 16.06 N ATOM 212 CA GLN A 30 -17.980 26.530 20.044 1.00 16.82 C ATOM 213 C GLN A 30 -16.824 25.607 20.488 1.00 16.19 C ATOM 214 O GLN A 30 -17.035 24.623 21.188 1.00 18.00 O ATOM 215 CB GLN A 30 -18.406 27.409 21.232 1.00 19.35 C ATOM 216 CG GLN A 30 -17.292 28.277 21.822 1.00 20.22 C ATOM 217 CD GLN A 30 -17.850 29.201 22.903 1.00 26.47 C ATOM 218 OE1 GLN A 30 -19.023 29.545 22.895 1.00 25.97 O ATOM 219 NE2 GLN A 30 -17.015 29.581 23.843 1.00 24.00 N ATOM 0 H GLN A 30 -19.805 25.741 20.133 1.00 16.06 H new ATOM 0 HA GLN A 30 -17.678 27.083 19.307 1.00 16.82 H new ATOM 0 HB2 GLN A 30 -19.132 27.986 20.947 1.00 19.35 H new ATOM 0 HB3 GLN A 30 -18.757 26.836 21.932 1.00 19.35 H new ATOM 0 HG2 GLN A 30 -16.599 27.712 22.198 1.00 20.22 H new ATOM 0 HG3 GLN A 30 -16.879 28.804 21.120 1.00 20.22 H new ATOM 0 HE21 GLN A 30 -16.195 29.322 23.820 1.00 24.00 H new ATOM 0 HE22 GLN A 30 -17.288 30.089 24.481 1.00 24.00 H new ATOM 220 N LEU A 31 -15.613 25.958 20.111 1.00 14.47 N ATOM 221 CA LEU A 31 -14.394 25.342 20.601 1.00 14.68 C ATOM 222 C LEU A 31 -13.457 26.366 21.216 1.00 14.21 C ATOM 223 O LEU A 31 -12.808 27.130 20.515 1.00 13.26 O ATOM 224 CB LEU A 31 -13.626 24.559 19.489 1.00 14.99 C ATOM 225 CG LEU A 31 -14.289 23.305 18.874 1.00 18.64 C ATOM 226 CD1 LEU A 31 -13.482 22.793 17.703 1.00 19.84 C ATOM 227 CD2 LEU A 31 -14.298 22.199 19.893 1.00 20.23 C ATOM 0 H LEU A 31 -15.469 26.585 19.541 1.00 14.47 H new ATOM 0 HA LEU A 31 -14.678 24.711 21.281 1.00 14.68 H new ATOM 0 HB2 LEU A 31 -13.442 25.179 18.766 1.00 14.99 H new ATOM 0 HB3 LEU A 31 -12.770 24.289 19.857 1.00 14.99 H new ATOM 0 HG LEU A 31 -15.184 23.551 18.593 1.00 18.64 H new ATOM 0 HD11 LEU A 31 -13.913 22.008 17.331 1.00 19.84 H new ATOM 0 HD12 LEU A 31 -13.425 23.482 17.023 1.00 19.84 H new ATOM 0 HD13 LEU A 31 -12.589 22.560 18.002 1.00 19.84 H new ATOM 0 HD21 LEU A 31 -14.713 21.410 19.511 1.00 20.23 H new ATOM 0 HD22 LEU A 31 -13.387 21.991 20.153 1.00 20.23 H new ATOM 0 HD23 LEU A 31 -14.800 22.482 20.674 1.00 20.23 H new ATOM 228 N ASN A 32 -13.309 26.326 22.535 1.00 14.73 N ATOM 229 CA ASN A 32 -12.272 27.120 23.140 1.00 14.43 C ATOM 230 C ASN A 32 -10.904 26.572 22.805 1.00 13.74 C ATOM 231 O ASN A 32 -10.782 25.461 22.306 1.00 14.83 O ATOM 232 CB ASN A 32 -12.470 27.202 24.638 1.00 17.20 C ATOM 233 CG ASN A 32 -13.718 28.005 24.970 1.00 20.88 C ATOM 234 OD1 ASN A 32 -14.061 28.989 24.170 1.00 30.92 O flip ATOM 235 ND2 ASN A 32 -14.351 27.736 25.943 1.00 20.86 N flip ATOM 0 H ASN A 32 -13.786 25.859 23.076 1.00 14.73 H new ATOM 0 HA ASN A 32 -12.328 28.018 22.777 1.00 14.43 H new ATOM 0 HB2 ASN A 32 -12.546 26.309 25.009 1.00 17.20 H new ATOM 0 HB3 ASN A 32 -11.695 27.615 25.050 1.00 17.20 H new ATOM 0 HD21 ASN A 32 -14.105 27.087 26.450 1.00 20.86 H new ATOM 0 HD22 ASN A 32 -15.054 28.191 26.138 1.00 20.86 H new ATOM 236 N SER A 33 -9.882 27.338 23.107 1.00 12.43 N ATOM 237 CA SER A 33 -8.495 26.921 22.822 1.00 13.10 C ATOM 238 C SER A 33 -8.188 25.603 23.515 1.00 13.86 C ATOM 239 O SER A 33 -8.328 25.488 24.764 1.00 13.90 O ATOM 240 CB SER A 33 -7.537 28.006 23.311 1.00 14.44 C ATOM 241 OG SER A 33 -6.213 27.588 23.037 1.00 15.12 O ATOM 0 H SER A 33 -9.953 28.110 23.480 1.00 12.43 H new ATOM 0 HA SER A 33 -8.386 26.797 21.866 1.00 13.10 H new ATOM 0 HB2 SER A 33 -7.724 28.847 22.866 1.00 14.44 H new ATOM 0 HB3 SER A 33 -7.654 28.156 24.262 1.00 14.44 H new ATOM 0 HG SER A 33 -6.050 27.691 22.219 1.00 15.12 H new ATOM 242 N GLY A 34 -7.830 24.610 22.700 1.00 12.81 N ATOM 243 CA GLY A 34 -7.519 23.258 23.191 1.00 13.93 C ATOM 244 C GLY A 34 -8.670 22.267 23.170 1.00 14.46 C ATOM 245 O GLY A 34 -8.459 21.036 23.352 1.00 14.70 O ATOM 0 H GLY A 34 -7.760 24.697 21.847 1.00 12.81 H new ATOM 0 HA2 GLY A 34 -6.794 22.897 22.657 1.00 13.93 H new ATOM 0 HA3 GLY A 34 -7.193 23.330 24.102 1.00 13.93 H new ATOM 246 N GLU A 35 -9.897 22.742 22.965 1.00 14.57 N ATOM 247 CA GLU A 35 -11.036 21.806 23.002 1.00 15.02 C ATOM 248 C GLU A 35 -11.128 20.957 21.698 1.00 15.72 C ATOM 249 O GLU A 35 -10.690 21.434 20.619 1.00 16.45 O ATOM 250 CB GLU A 35 -12.351 22.547 23.231 1.00 15.47 C ATOM 251 CG GLU A 35 -12.450 23.152 24.653 1.00 16.40 C ATOM 252 CD GLU A 35 -13.853 23.714 24.889 1.00 20.53 C ATOM 253 OE1 GLU A 35 -14.530 24.218 23.981 1.00 18.65 O ATOM 254 OE2 GLU A 35 -14.351 23.579 25.991 1.00 21.41 O ATOM 0 H GLU A 35 -10.094 23.565 22.809 1.00 14.57 H new ATOM 0 HA GLU A 35 -10.881 21.204 23.747 1.00 15.02 H new ATOM 0 HB2 GLU A 35 -12.438 23.256 22.574 1.00 15.47 H new ATOM 0 HB3 GLU A 35 -13.092 21.937 23.090 1.00 15.47 H new ATOM 0 HG2 GLU A 35 -12.250 22.473 25.316 1.00 16.40 H new ATOM 0 HG3 GLU A 35 -11.790 23.855 24.760 1.00 16.40 H new ATOM 255 N SER A 36 -11.663 19.732 21.858 1.00 14.19 N ATOM 256 CA SER A 36 -11.881 18.718 20.821 1.00 15.28 C ATOM 257 C SER A 36 -13.367 18.387 20.792 1.00 15.31 C ATOM 258 O SER A 36 -14.071 18.348 21.837 1.00 17.29 O ATOM 259 CB SER A 36 -11.089 17.438 21.114 1.00 15.27 C ATOM 260 OG SER A 36 -9.730 17.793 21.440 1.00 17.21 O ATOM 0 H SER A 36 -11.924 19.459 22.631 1.00 14.19 H new ATOM 0 HA SER A 36 -11.579 19.068 19.968 1.00 15.28 H new ATOM 0 HB2 SER A 36 -11.495 16.954 21.850 1.00 15.27 H new ATOM 0 HB3 SER A 36 -11.106 16.849 20.343 1.00 15.27 H new ATOM 0 HG SER A 36 -9.634 17.800 22.275 1.00 17.21 H new ATOM 261 N TRP A 37 -13.855 18.223 19.571 1.00 15.03 N ATOM 262 CA TRP A 37 -15.260 17.911 19.323 1.00 18.00 C ATOM 263 C TRP A 37 -15.273 16.723 18.388 1.00 18.78 C ATOM 264 O TRP A 37 -14.715 16.808 17.282 1.00 18.03 O ATOM 265 CB TRP A 37 -15.940 19.105 18.681 1.00 19.78 C ATOM 266 CG TRP A 37 -17.360 18.921 18.308 1.00 21.41 C ATOM 267 CD1 TRP A 37 -18.334 18.191 18.968 1.00 21.48 C ATOM 268 CD2 TRP A 37 -17.990 19.511 17.156 1.00 21.21 C ATOM 269 NE1 TRP A 37 -19.531 18.297 18.263 1.00 22.78 N ATOM 270 CE2 TRP A 37 -19.366 19.107 17.173 1.00 22.41 C ATOM 271 CE3 TRP A 37 -17.535 20.374 16.129 1.00 20.89 C ATOM 272 CZ2 TRP A 37 -20.298 19.523 16.184 1.00 20.54 C ATOM 273 CZ3 TRP A 37 -18.453 20.767 15.114 1.00 23.84 C ATOM 274 CH2 TRP A 37 -19.822 20.335 15.161 1.00 22.31 C ATOM 0 H TRP A 37 -13.380 18.289 18.857 1.00 15.03 H new ATOM 0 HA TRP A 37 -15.735 17.708 20.144 1.00 18.00 H new ATOM 0 HB2 TRP A 37 -15.879 19.856 19.292 1.00 19.78 H new ATOM 0 HB3 TRP A 37 -15.444 19.347 17.884 1.00 19.78 H new ATOM 0 HD1 TRP A 37 -18.210 17.709 19.753 1.00 21.48 H new ATOM 0 HE1 TRP A 37 -20.267 17.909 18.481 1.00 22.78 H new ATOM 0 HE3 TRP A 37 -16.656 20.677 16.118 1.00 20.89 H new ATOM 0 HZ2 TRP A 37 -21.190 19.263 16.220 1.00 20.54 H new ATOM 0 HZ3 TRP A 37 -18.164 21.308 14.415 1.00 23.84 H new ATOM 0 HH2 TRP A 37 -20.405 20.606 14.489 1.00 22.31 H new ATOM 275 N THR A 38 -15.868 15.621 18.836 1.00 17.94 N ATOM 276 CA THR A 38 -15.935 14.392 17.993 1.00 20.12 C ATOM 277 C THR A 38 -17.310 14.293 17.376 1.00 21.37 C ATOM 278 O THR A 38 -18.358 14.330 18.064 1.00 21.43 O ATOM 279 CB THR A 38 -15.608 13.136 18.853 1.00 21.80 C ATOM 280 OG1 THR A 38 -14.322 13.362 19.437 1.00 23.54 O ATOM 281 CG2 THR A 38 -15.531 11.865 17.961 1.00 23.77 C ATOM 0 H THR A 38 -16.238 15.549 19.609 1.00 17.94 H new ATOM 0 HA THR A 38 -15.277 14.441 17.282 1.00 20.12 H new ATOM 0 HB THR A 38 -16.297 12.999 19.522 1.00 21.80 H new ATOM 0 HG1 THR A 38 -14.110 12.703 19.912 1.00 23.54 H new ATOM 0 HG21 THR A 38 -15.327 11.094 18.513 1.00 23.77 H new ATOM 0 HG22 THR A 38 -16.383 11.728 17.518 1.00 23.77 H new ATOM 0 HG23 THR A 38 -14.835 11.979 17.295 1.00 23.77 H new ATOM 282 N ILE A 39 -17.320 14.189 16.059 1.00 22.46 N ATOM 283 CA ILE A 39 -18.557 14.065 15.347 1.00 20.19 C ATOM 284 C ILE A 39 -18.592 12.764 14.523 1.00 21.46 C ATOM 285 O ILE A 39 -17.556 12.208 14.204 1.00 20.83 O ATOM 286 CB ILE A 39 -18.845 15.296 14.462 1.00 20.16 C ATOM 287 CG1 ILE A 39 -17.874 15.359 13.283 1.00 18.78 C ATOM 288 CG2 ILE A 39 -18.896 16.562 15.363 1.00 21.68 C ATOM 289 CD1 ILE A 39 -18.276 16.350 12.173 1.00 21.03 C ATOM 0 H ILE A 39 -16.616 14.189 15.565 1.00 22.46 H new ATOM 0 HA ILE A 39 -19.265 14.022 16.009 1.00 20.19 H new ATOM 0 HB ILE A 39 -19.716 15.232 14.040 1.00 20.16 H new ATOM 0 HG12 ILE A 39 -16.996 15.603 13.615 1.00 18.78 H new ATOM 0 HG13 ILE A 39 -17.795 14.473 12.896 1.00 18.78 H new ATOM 0 HG21 ILE A 39 -19.077 17.342 14.815 1.00 21.68 H new ATOM 0 HG22 ILE A 39 -19.599 16.461 16.024 1.00 21.68 H new ATOM 0 HG23 ILE A 39 -18.044 16.674 15.813 1.00 21.68 H new ATOM 0 HD11 ILE A 39 -17.613 16.331 11.466 1.00 21.03 H new ATOM 0 HD12 ILE A 39 -19.140 16.098 11.812 1.00 21.03 H new ATOM 0 HD13 ILE A 39 -18.328 17.246 12.542 1.00 21.03 H new ATOM 290 N ASN A 40 -19.802 12.299 14.211 1.00 22.14 N ATOM 291 CA ASN A 40 -20.008 11.144 13.304 1.00 25.49 C ATOM 292 C ASN A 40 -20.683 11.584 12.060 1.00 22.59 C ATOM 293 O ASN A 40 -21.608 12.367 12.116 1.00 24.97 O ATOM 294 CB ASN A 40 -20.818 10.039 13.973 1.00 32.91 C ATOM 295 CG ASN A 40 -20.003 9.388 15.043 1.00 43.18 C ATOM 296 OD1 ASN A 40 -19.024 8.559 14.643 1.00 50.42 O flip ATOM 297 ND2 ASN A 40 -20.133 9.745 16.212 1.00 49.49 N flip ATOM 0 H ASN A 40 -20.532 12.638 14.514 1.00 22.14 H new ATOM 0 HA ASN A 40 -19.135 10.782 13.087 1.00 25.49 H new ATOM 0 HB2 ASN A 40 -21.631 10.408 14.353 1.00 32.91 H new ATOM 0 HB3 ASN A 40 -21.087 9.380 13.314 1.00 32.91 H new ATOM 0 HD21 ASN A 40 -20.772 10.277 16.431 1.00 49.49 H new ATOM 0 HD22 ASN A 40 -19.585 9.463 16.811 1.00 49.49 H new ATOM 298 N VAL A 41 -20.170 11.090 10.942 1.00 23.44 N ATOM 299 CA VAL A 41 -20.560 11.511 9.611 1.00 20.80 C ATOM 300 C VAL A 41 -20.955 10.170 9.006 1.00 23.53 C ATOM 301 O VAL A 41 -20.157 9.205 9.030 1.00 20.91 O ATOM 302 CB VAL A 41 -19.363 12.163 8.914 1.00 20.15 C ATOM 303 CG1 VAL A 41 -19.587 12.363 7.412 1.00 19.96 C ATOM 304 CG2 VAL A 41 -19.049 13.527 9.598 1.00 19.92 C ATOM 0 H VAL A 41 -19.564 10.479 10.940 1.00 23.44 H new ATOM 0 HA VAL A 41 -21.265 12.175 9.552 1.00 20.80 H new ATOM 0 HB VAL A 41 -18.608 11.560 9.004 1.00 20.15 H new ATOM 0 HG11 VAL A 41 -18.803 12.778 7.020 1.00 19.96 H new ATOM 0 HG12 VAL A 41 -19.743 11.503 6.991 1.00 19.96 H new ATOM 0 HG13 VAL A 41 -20.358 12.935 7.273 1.00 19.96 H new ATOM 0 HG21 VAL A 41 -18.291 13.943 9.158 1.00 19.92 H new ATOM 0 HG22 VAL A 41 -19.822 14.109 9.529 1.00 19.92 H new ATOM 0 HG23 VAL A 41 -18.839 13.379 10.533 1.00 19.92 H new ATOM 305 N GLU A 42 -22.181 10.116 8.481 1.00 23.21 N ATOM 306 CA GLU A 42 -22.700 8.888 7.886 1.00 25.76 C ATOM 307 C GLU A 42 -21.802 8.418 6.700 1.00 24.43 C ATOM 308 O GLU A 42 -21.368 9.264 5.899 1.00 24.55 O ATOM 309 CB GLU A 42 -24.098 9.163 7.394 1.00 30.42 C ATOM 310 CG GLU A 42 -25.083 8.003 7.602 1.00 53.80 C ATOM 311 CD GLU A 42 -26.187 7.902 6.512 1.00 66.00 C ATOM 312 OE1 GLU A 42 -26.578 8.914 5.873 1.00 64.36 O ATOM 313 OE2 GLU A 42 -26.682 6.777 6.278 1.00 75.86 O ATOM 0 H GLU A 42 -22.726 10.781 8.461 1.00 23.21 H new ATOM 0 HA GLU A 42 -22.704 8.181 8.550 1.00 25.76 H new ATOM 0 HB2 GLU A 42 -24.440 9.949 7.848 1.00 30.42 H new ATOM 0 HB3 GLU A 42 -24.060 9.376 6.448 1.00 30.42 H new ATOM 0 HG2 GLU A 42 -24.586 7.170 7.623 1.00 53.80 H new ATOM 0 HG3 GLU A 42 -25.507 8.103 8.469 1.00 53.80 H new ATOM 314 N PRO A 43 -21.515 7.088 6.575 1.00 24.68 N ATOM 315 CA PRO A 43 -20.830 6.592 5.373 1.00 23.46 C ATOM 316 C PRO A 43 -21.573 7.003 4.102 1.00 23.40 C ATOM 317 O PRO A 43 -22.818 7.143 4.139 1.00 23.58 O ATOM 318 CB PRO A 43 -20.892 5.042 5.513 1.00 25.30 C ATOM 319 CG PRO A 43 -21.039 4.829 6.968 1.00 27.17 C ATOM 320 CD PRO A 43 -21.805 5.997 7.527 1.00 27.42 C ATOM 0 HA PRO A 43 -19.929 6.945 5.304 1.00 23.46 H new ATOM 0 HB2 PRO A 43 -21.640 4.669 5.021 1.00 25.30 H new ATOM 0 HB3 PRO A 43 -20.088 4.621 5.170 1.00 25.30 H new ATOM 0 HG2 PRO A 43 -21.508 3.999 7.145 1.00 27.17 H new ATOM 0 HG3 PRO A 43 -20.169 4.759 7.391 1.00 27.17 H new ATOM 0 HD2 PRO A 43 -22.755 5.810 7.577 1.00 27.42 H new ATOM 0 HD3 PRO A 43 -21.512 6.219 8.425 1.00 27.42 H new ATOM 321 N GLY A 44 -20.824 7.206 3.022 1.00 22.20 N ATOM 322 CA GLY A 44 -21.399 7.557 1.724 1.00 24.69 C ATOM 323 C GLY A 44 -21.569 9.057 1.587 1.00 25.74 C ATOM 324 O GLY A 44 -21.929 9.523 0.510 1.00 26.19 O ATOM 0 H GLY A 44 -19.966 7.144 3.020 1.00 22.20 H new ATOM 0 HA2 GLY A 44 -20.826 7.228 1.014 1.00 24.69 H new ATOM 0 HA3 GLY A 44 -22.259 7.121 1.620 1.00 24.69 H new ATOM 325 N THR A 45 -21.280 9.817 2.659 1.00 22.98 N ATOM 326 CA THR A 45 -21.430 11.309 2.612 1.00 22.88 C ATOM 327 C THR A 45 -20.602 11.889 1.474 1.00 20.86 C ATOM 328 O THR A 45 -19.368 11.674 1.362 1.00 20.96 O ATOM 329 CB THR A 45 -21.098 12.025 3.942 1.00 20.96 C ATOM 330 OG1 THR A 45 -22.048 11.583 4.902 1.00 24.08 O ATOM 331 CG2 THR A 45 -21.297 13.529 3.777 1.00 21.43 C ATOM 0 H THR A 45 -21.001 9.507 3.411 1.00 22.98 H new ATOM 0 HA THR A 45 -22.373 11.474 2.454 1.00 22.88 H new ATOM 0 HB THR A 45 -20.184 11.834 4.206 1.00 20.96 H new ATOM 0 HG1 THR A 45 -21.932 10.765 5.056 1.00 24.08 H new ATOM 0 HG21 THR A 45 -21.088 13.977 4.612 1.00 21.43 H new ATOM 0 HG22 THR A 45 -20.710 13.859 3.078 1.00 21.43 H new ATOM 0 HG23 THR A 45 -22.219 13.709 3.536 1.00 21.43 H new ATOM 332 N ASN A 46 -21.316 12.597 0.607 1.00 20.42 N ATOM 333 CA ASN A 46 -20.689 13.183 -0.521 1.00 24.91 C ATOM 334 C ASN A 46 -20.666 14.715 -0.391 1.00 23.85 C ATOM 335 O ASN A 46 -21.716 15.329 -0.114 1.00 23.48 O ATOM 336 CB ASN A 46 -21.493 12.811 -1.743 1.00 32.53 C ATOM 337 CG ASN A 46 -20.628 12.671 -2.914 1.00 43.49 C ATOM 338 OD1 ASN A 46 -20.277 11.565 -3.250 1.00 64.46 O ATOM 339 ND2 ASN A 46 -20.175 13.783 -3.482 1.00 48.32 N ATOM 0 H ASN A 46 -22.162 12.739 0.670 1.00 20.42 H new ATOM 0 HA ASN A 46 -19.776 12.863 -0.588 1.00 24.91 H new ATOM 0 HB2 ASN A 46 -21.965 11.979 -1.583 1.00 32.53 H new ATOM 0 HB3 ASN A 46 -22.165 13.490 -1.912 1.00 32.53 H new ATOM 0 HD21 ASN A 46 -19.603 13.736 -4.122 1.00 48.32 H new ATOM 0 HD22 ASN A 46 -20.454 14.549 -3.209 1.00 48.32 H new ATOM 340 N GLY A 47 -19.495 15.316 -0.566 1.00 22.26 N ATOM 341 CA GLY A 47 -19.417 16.818 -0.588 1.00 21.07 C ATOM 342 C GLY A 47 -19.560 17.419 0.826 1.00 22.95 C ATOM 343 O GLY A 47 -20.158 18.508 0.988 1.00 21.87 O ATOM 0 H GLY A 47 -18.745 14.909 -0.672 1.00 22.26 H new ATOM 0 HA2 GLY A 47 -18.570 17.092 -0.972 1.00 21.07 H new ATOM 0 HA3 GLY A 47 -20.116 17.170 -1.161 1.00 21.07 H new ATOM 344 N GLY A 48 -19.010 16.728 1.851 1.00 18.69 N ATOM 345 CA GLY A 48 -19.026 17.283 3.215 1.00 16.07 C ATOM 346 C GLY A 48 -17.889 18.317 3.326 1.00 16.56 C ATOM 347 O GLY A 48 -16.850 18.229 2.605 1.00 17.41 O ATOM 0 H GLY A 48 -18.634 15.958 1.776 1.00 18.69 H new ATOM 0 HA2 GLY A 48 -19.882 17.700 3.401 1.00 16.07 H new ATOM 0 HA3 GLY A 48 -18.906 16.577 3.869 1.00 16.07 H new ATOM 348 N LYS A 49 -18.092 19.286 4.226 1.00 14.57 N ATOM 349 CA LYS A 49 -17.057 20.290 4.502 1.00 14.79 C ATOM 350 C LYS A 49 -17.032 20.638 5.995 1.00 14.22 C ATOM 351 O LYS A 49 -18.086 20.693 6.644 1.00 14.96 O ATOM 352 CB LYS A 49 -17.295 21.584 3.715 1.00 14.47 C ATOM 353 CG LYS A 49 -17.261 21.422 2.160 1.00 16.60 C ATOM 354 CD LYS A 49 -17.290 22.804 1.499 1.00 18.88 C ATOM 355 CE LYS A 49 -17.880 22.751 0.091 1.00 21.50 C ATOM 356 NZ LYS A 49 -17.042 21.936 -0.786 1.00 19.45 N ATOM 0 H LYS A 49 -18.814 19.379 4.683 1.00 14.57 H new ATOM 0 HA LYS A 49 -16.211 19.902 4.229 1.00 14.79 H new ATOM 0 HB2 LYS A 49 -18.156 21.949 3.971 1.00 14.47 H new ATOM 0 HB3 LYS A 49 -16.623 22.234 3.975 1.00 14.47 H new ATOM 0 HG2 LYS A 49 -16.461 20.942 1.893 1.00 16.60 H new ATOM 0 HG3 LYS A 49 -18.020 20.896 1.864 1.00 16.60 H new ATOM 0 HD2 LYS A 49 -17.812 23.412 2.045 1.00 18.88 H new ATOM 0 HD3 LYS A 49 -16.389 23.161 1.458 1.00 18.88 H new ATOM 0 HE2 LYS A 49 -18.777 22.383 0.124 1.00 21.50 H new ATOM 0 HE3 LYS A 49 -17.955 23.649 -0.268 1.00 21.50 H new ATOM 0 HZ1 LYS A 49 -17.322 22.019 -1.627 1.00 19.45 H new ATOM 0 HZ2 LYS A 49 -16.197 22.209 -0.727 1.00 19.45 H new ATOM 0 HZ3 LYS A 49 -17.096 21.083 -0.539 1.00 19.45 H new ATOM 357 N ILE A 50 -15.830 20.935 6.475 1.00 13.15 N ATOM 358 CA ILE A 50 -15.698 21.380 7.877 1.00 14.69 C ATOM 359 C ILE A 50 -14.871 22.649 7.779 1.00 14.23 C ATOM 360 O ILE A 50 -13.923 22.705 6.952 1.00 14.17 O ATOM 361 CB ILE A 50 -14.982 20.312 8.743 1.00 14.37 C ATOM 362 CG1 ILE A 50 -15.969 19.198 9.091 1.00 16.16 C ATOM 363 CG2 ILE A 50 -14.352 20.911 10.034 1.00 14.19 C ATOM 364 CD1 ILE A 50 -15.214 17.918 9.567 1.00 17.06 C ATOM 0 H ILE A 50 -15.095 20.891 6.030 1.00 13.15 H new ATOM 0 HA ILE A 50 -16.557 21.524 8.303 1.00 14.69 H new ATOM 0 HB ILE A 50 -14.248 19.951 8.222 1.00 14.37 H new ATOM 0 HG12 ILE A 50 -16.572 19.501 9.788 1.00 16.16 H new ATOM 0 HG13 ILE A 50 -16.513 18.988 8.316 1.00 16.16 H new ATOM 0 HG21 ILE A 50 -13.918 20.206 10.540 1.00 14.19 H new ATOM 0 HG22 ILE A 50 -13.698 21.585 9.792 1.00 14.19 H new ATOM 0 HG23 ILE A 50 -15.047 21.316 10.576 1.00 14.19 H new ATOM 0 HD11 ILE A 50 -15.857 17.224 9.783 1.00 17.06 H new ATOM 0 HD12 ILE A 50 -14.627 17.606 8.860 1.00 17.06 H new ATOM 0 HD13 ILE A 50 -14.688 18.127 10.355 1.00 17.06 H new ATOM 365 N TRP A 51 -15.224 23.635 8.594 1.00 13.29 N ATOM 366 CA TRP A 51 -14.486 24.908 8.618 1.00 14.08 C ATOM 367 C TRP A 51 -14.590 25.507 10.014 1.00 14.16 C ATOM 368 O TRP A 51 -15.445 25.032 10.848 1.00 13.37 O ATOM 369 CB TRP A 51 -15.013 25.889 7.493 1.00 14.09 C ATOM 370 CG TRP A 51 -16.447 26.424 7.672 1.00 14.95 C ATOM 371 CD1 TRP A 51 -16.825 27.685 8.124 1.00 13.96 C ATOM 372 CD2 TRP A 51 -17.665 25.726 7.373 1.00 14.69 C ATOM 373 NE1 TRP A 51 -18.198 27.812 8.103 1.00 15.67 N ATOM 374 CE2 TRP A 51 -18.737 26.641 7.609 1.00 15.15 C ATOM 375 CE3 TRP A 51 -17.948 24.433 6.849 1.00 15.00 C ATOM 376 CZ2 TRP A 51 -20.073 26.278 7.449 1.00 17.86 C ATOM 377 CZ3 TRP A 51 -19.271 24.060 6.701 1.00 14.28 C ATOM 378 CH2 TRP A 51 -20.326 24.976 6.964 1.00 16.23 C ATOM 0 H TRP A 51 -15.885 23.594 9.142 1.00 13.29 H new ATOM 0 HA TRP A 51 -13.549 24.754 8.421 1.00 14.08 H new ATOM 0 HB2 TRP A 51 -14.409 26.647 7.442 1.00 14.09 H new ATOM 0 HB3 TRP A 51 -14.964 25.429 6.640 1.00 14.09 H new ATOM 0 HD1 TRP A 51 -16.235 28.348 8.401 1.00 13.96 H new ATOM 0 HE1 TRP A 51 -18.643 28.503 8.355 1.00 15.67 H new ATOM 0 HE3 TRP A 51 -17.260 23.854 6.612 1.00 15.00 H new ATOM 0 HZ2 TRP A 51 -20.765 26.865 7.652 1.00 17.86 H new ATOM 0 HZ3 TRP A 51 -19.474 23.196 6.425 1.00 14.28 H new ATOM 0 HH2 TRP A 51 -21.205 24.711 6.813 1.00 16.23 H new ATOM 379 N ALA A 52 -13.774 26.560 10.261 1.00 11.81 N ATOM 380 CA ALA A 52 -13.832 27.339 11.510 1.00 12.96 C ATOM 381 C ALA A 52 -14.502 28.663 11.178 1.00 13.33 C ATOM 382 O ALA A 52 -14.382 29.219 10.054 1.00 13.29 O ATOM 383 CB ALA A 52 -12.380 27.607 12.033 1.00 12.84 C ATOM 0 H ALA A 52 -13.177 26.835 9.707 1.00 11.81 H new ATOM 0 HA ALA A 52 -14.324 26.859 12.195 1.00 12.96 H new ATOM 0 HB1 ALA A 52 -12.422 28.120 12.855 1.00 12.84 H new ATOM 0 HB2 ALA A 52 -11.936 26.762 12.202 1.00 12.84 H new ATOM 0 HB3 ALA A 52 -11.883 28.106 11.366 1.00 12.84 H new ATOM 384 N ARG A 53 -15.206 29.189 12.155 1.00 14.22 N ATOM 385 CA ARG A 53 -15.768 30.540 12.060 1.00 14.24 C ATOM 386 C ARG A 53 -15.125 31.358 13.174 1.00 15.55 C ATOM 387 O ARG A 53 -14.842 30.822 14.285 1.00 15.91 O ATOM 388 CB ARG A 53 -17.266 30.460 12.245 1.00 12.46 C ATOM 389 CG ARG A 53 -17.933 29.649 11.123 1.00 13.22 C ATOM 390 CD ARG A 53 -19.385 29.395 11.500 1.00 12.96 C ATOM 391 NE ARG A 53 -19.501 28.372 12.585 1.00 14.32 N ATOM 392 CZ ARG A 53 -20.662 28.105 13.212 1.00 15.31 C ATOM 393 NH1 ARG A 53 -21.782 28.842 12.922 1.00 15.50 N ATOM 394 NH2 ARG A 53 -20.718 27.134 14.122 1.00 15.49 N ATOM 0 H ARG A 53 -15.378 28.784 12.894 1.00 14.22 H new ATOM 0 HA ARG A 53 -15.594 30.951 11.199 1.00 14.24 H new ATOM 0 HB2 ARG A 53 -17.465 30.052 13.102 1.00 12.46 H new ATOM 0 HB3 ARG A 53 -17.639 31.355 12.263 1.00 12.46 H new ATOM 0 HG2 ARG A 53 -17.883 30.133 10.284 1.00 13.22 H new ATOM 0 HG3 ARG A 53 -17.467 28.808 10.994 1.00 13.22 H new ATOM 0 HD2 ARG A 53 -19.794 30.225 11.791 1.00 12.96 H new ATOM 0 HD3 ARG A 53 -19.875 29.096 10.718 1.00 12.96 H new ATOM 0 HE ARG A 53 -18.797 27.936 12.818 1.00 14.32 H new ATOM 0 HH11 ARG A 53 -21.742 29.474 12.340 1.00 15.50 H new ATOM 0 HH12 ARG A 53 -22.524 28.672 13.322 1.00 15.50 H new ATOM 0 HH21 ARG A 53 -20.013 26.678 14.309 1.00 15.49 H new ATOM 0 HH22 ARG A 53 -21.459 26.963 14.523 1.00 15.49 H new ATOM 395 N THR A 54 -14.935 32.662 12.935 1.00 15.65 N ATOM 396 CA THR A 54 -14.234 33.514 13.925 1.00 15.79 C ATOM 397 C THR A 54 -15.131 34.660 14.332 1.00 16.84 C ATOM 398 O THR A 54 -16.027 35.058 13.567 1.00 16.84 O ATOM 399 CB THR A 54 -12.873 34.065 13.424 1.00 15.46 C ATOM 400 OG1 THR A 54 -13.083 34.838 12.197 1.00 14.00 O ATOM 401 CG2 THR A 54 -11.892 32.889 13.140 1.00 17.68 C ATOM 0 H THR A 54 -15.195 33.071 12.224 1.00 15.65 H new ATOM 0 HA THR A 54 -14.035 32.946 14.686 1.00 15.79 H new ATOM 0 HB THR A 54 -12.490 34.637 14.108 1.00 15.46 H new ATOM 0 HG1 THR A 54 -12.347 35.138 11.925 1.00 14.00 H new ATOM 0 HG21 THR A 54 -11.045 33.243 12.827 1.00 17.68 H new ATOM 0 HG22 THR A 54 -11.750 32.382 13.955 1.00 17.68 H new ATOM 0 HG23 THR A 54 -12.270 32.309 12.461 1.00 17.68 H new ATOM 402 N ASP A 55 -14.932 35.119 15.573 1.00 17.47 N ATOM 403 CA ASP A 55 -15.657 36.268 16.185 1.00 20.25 C ATOM 404 C ASP A 55 -17.144 36.156 16.048 1.00 20.15 C ATOM 405 O ASP A 55 -17.746 36.978 15.351 1.00 18.15 O ATOM 406 CB ASP A 55 -15.186 37.571 15.487 1.00 23.79 C ATOM 407 CG ASP A 55 -13.774 37.942 15.887 1.00 31.16 C ATOM 408 OD1 ASP A 55 -13.574 38.080 17.098 1.00 45.26 O ATOM 409 OD2 ASP A 55 -12.866 38.062 15.038 1.00 29.15 O ATOM 0 H ASP A 55 -14.356 34.766 16.106 1.00 17.47 H new ATOM 0 HA ASP A 55 -15.455 36.274 17.134 1.00 20.25 H new ATOM 0 HB2 ASP A 55 -15.231 37.457 14.525 1.00 23.79 H new ATOM 0 HB3 ASP A 55 -15.788 38.296 15.715 1.00 23.79 H new ATOM 410 N CYS A 56 -17.744 35.124 16.666 1.00 20.41 N ATOM 411 CA CYS A 56 -19.179 34.906 16.545 1.00 19.28 C ATOM 412 C CYS A 56 -19.837 35.403 17.829 1.00 20.21 C ATOM 413 O CYS A 56 -19.209 35.406 18.894 1.00 19.44 O ATOM 414 CB CYS A 56 -19.498 33.413 16.487 1.00 20.86 C ATOM 415 SG CYS A 56 -18.683 32.602 15.104 1.00 17.55 S ATOM 0 H CYS A 56 -17.333 34.548 17.155 1.00 20.41 H new ATOM 0 HA CYS A 56 -19.490 35.359 15.746 1.00 19.28 H new ATOM 0 HB2 CYS A 56 -19.222 32.992 17.316 1.00 20.86 H new ATOM 0 HB3 CYS A 56 -20.457 33.291 16.413 1.00 20.86 H new ATOM 416 N TYR A 57 -21.095 35.753 17.729 1.00 23.98 N ATOM 417 CA TYR A 57 -21.954 36.088 18.884 1.00 28.28 C ATOM 418 C TYR A 57 -23.219 35.323 18.562 1.00 26.45 C ATOM 419 O TYR A 57 -23.741 35.440 17.458 1.00 27.87 O ATOM 420 CB TYR A 57 -22.192 37.645 18.957 1.00 32.65 C ATOM 421 CG TYR A 57 -20.889 38.396 19.228 1.00 40.84 C ATOM 422 CD1 TYR A 57 -20.013 38.717 18.158 1.00 42.73 C ATOM 423 CD2 TYR A 57 -20.454 38.738 20.584 1.00 48.80 C ATOM 424 CE1 TYR A 57 -18.780 39.336 18.379 1.00 44.83 C ATOM 425 CE2 TYR A 57 -19.196 39.391 20.824 1.00 41.33 C ATOM 426 CZ TYR A 57 -18.375 39.674 19.699 1.00 46.52 C ATOM 427 OH TYR A 57 -17.148 40.302 19.750 1.00 48.15 O ATOM 0 H TYR A 57 -21.503 35.810 16.974 1.00 23.98 H new ATOM 0 HA TYR A 57 -21.583 35.855 19.750 1.00 28.28 H new ATOM 0 HB2 TYR A 57 -22.578 37.954 18.123 1.00 32.65 H new ATOM 0 HB3 TYR A 57 -22.833 37.843 19.657 1.00 32.65 H new ATOM 0 HD1 TYR A 57 -20.266 38.510 17.287 1.00 42.73 H new ATOM 0 HD2 TYR A 57 -21.003 38.528 21.305 1.00 48.80 H new ATOM 0 HE1 TYR A 57 -18.222 39.528 17.660 1.00 44.83 H new ATOM 0 HE2 TYR A 57 -18.929 39.620 21.685 1.00 41.33 H new ATOM 0 HH TYR A 57 -16.957 40.480 20.548 1.00 48.15 H new ATOM 428 N PHE A 58 -23.711 34.542 19.514 1.00 22.78 N ATOM 429 CA PHE A 58 -24.968 33.837 19.411 1.00 26.63 C ATOM 430 C PHE A 58 -25.756 34.107 20.664 1.00 29.53 C ATOM 431 O PHE A 58 -25.147 34.293 21.715 1.00 31.11 O ATOM 432 CB PHE A 58 -24.732 32.323 19.254 1.00 25.17 C ATOM 433 CG PHE A 58 -24.024 31.967 17.970 1.00 22.46 C ATOM 434 CD1 PHE A 58 -24.683 32.102 16.761 1.00 21.72 C ATOM 435 CD2 PHE A 58 -22.686 31.583 17.977 1.00 21.37 C ATOM 436 CE1 PHE A 58 -24.024 31.815 15.556 1.00 23.48 C ATOM 437 CE2 PHE A 58 -22.037 31.253 16.793 1.00 20.39 C ATOM 438 CZ PHE A 58 -22.690 31.393 15.584 1.00 19.68 C ATOM 0 H PHE A 58 -23.305 34.407 20.260 1.00 22.78 H new ATOM 0 HA PHE A 58 -25.454 34.144 18.630 1.00 26.63 H new ATOM 0 HB2 PHE A 58 -24.209 32.003 20.005 1.00 25.17 H new ATOM 0 HB3 PHE A 58 -25.585 31.863 19.285 1.00 25.17 H new ATOM 0 HD1 PHE A 58 -25.569 32.385 16.747 1.00 21.72 H new ATOM 0 HD2 PHE A 58 -22.222 31.547 18.782 1.00 21.37 H new ATOM 0 HE1 PHE A 58 -24.470 31.905 14.745 1.00 23.48 H new ATOM 0 HE2 PHE A 58 -21.162 30.938 16.815 1.00 20.39 H new ATOM 0 HZ PHE A 58 -22.244 31.207 14.790 1.00 19.68 H new ATOM 439 N ASP A 59 -27.078 34.248 20.527 1.00 35.29 N ATOM 440 CA ASP A 59 -27.973 34.326 21.690 1.00 35.85 C ATOM 441 C ASP A 59 -28.347 32.933 22.185 1.00 40.24 C ATOM 442 O ASP A 59 -27.874 31.908 21.650 1.00 32.97 O ATOM 443 CB ASP A 59 -29.233 35.116 21.343 1.00 35.78 C ATOM 444 CG ASP A 59 -30.127 34.403 20.333 1.00 39.43 C ATOM 445 OD1 ASP A 59 -30.003 33.167 20.056 1.00 35.43 O ATOM 446 OD2 ASP A 59 -30.981 35.117 19.772 1.00 45.55 O ATOM 0 H ASP A 59 -27.478 34.301 19.768 1.00 35.29 H new ATOM 0 HA ASP A 59 -27.500 34.786 22.401 1.00 35.85 H new ATOM 0 HB2 ASP A 59 -29.738 35.281 22.154 1.00 35.78 H new ATOM 0 HB3 ASP A 59 -28.978 35.981 20.987 1.00 35.78 H new ATOM 447 N ASP A 60 -29.261 32.900 23.158 1.00 48.35 N ATOM 448 CA ASP A 60 -29.743 31.644 23.731 1.00 59.28 C ATOM 449 C ASP A 60 -30.398 30.698 22.749 1.00 53.11 C ATOM 450 O ASP A 60 -30.385 29.505 22.996 1.00 60.22 O ATOM 451 CB ASP A 60 -30.651 31.891 24.935 1.00 73.25 C ATOM 452 CG ASP A 60 -29.907 32.549 26.089 1.00 86.99 C ATOM 453 OD1 ASP A 60 -28.705 32.238 26.344 1.00 77.07 O ATOM 454 OD2 ASP A 60 -30.544 33.406 26.734 1.00104.29 O ATOM 0 H ASP A 60 -29.617 33.603 23.502 1.00 48.35 H new ATOM 0 HA ASP A 60 -28.938 31.188 24.023 1.00 59.28 H new ATOM 0 HB2 ASP A 60 -31.394 32.454 24.668 1.00 73.25 H new ATOM 0 HB3 ASP A 60 -31.027 31.048 25.233 1.00 73.25 H new ATOM 455 N SER A 61 -30.917 31.210 21.631 1.00 47.68 N ATOM 456 CA SER A 61 -31.491 30.357 20.585 1.00 46.40 C ATOM 457 C SER A 61 -30.486 29.883 19.480 1.00 46.06 C ATOM 458 O SER A 61 -30.891 29.205 18.525 1.00 42.80 O ATOM 459 CB SER A 61 -32.719 31.059 19.965 1.00 53.68 C ATOM 460 OG SER A 61 -32.344 32.179 19.155 1.00 57.48 O ATOM 0 H SER A 61 -30.947 32.052 21.458 1.00 47.68 H new ATOM 0 HA SER A 61 -31.757 29.535 21.026 1.00 46.40 H new ATOM 0 HB2 SER A 61 -33.216 30.424 19.427 1.00 53.68 H new ATOM 0 HB3 SER A 61 -33.312 31.357 20.673 1.00 53.68 H new ATOM 0 HG SER A 61 -31.578 32.442 19.377 1.00 57.48 H new ATOM 461 N GLY A 62 -29.198 30.219 19.603 1.00 40.96 N ATOM 462 CA GLY A 62 -28.202 29.791 18.606 1.00 38.19 C ATOM 463 C GLY A 62 -28.310 30.579 17.292 1.00 38.67 C ATOM 464 O GLY A 62 -27.968 30.067 16.205 1.00 30.50 O ATOM 0 H GLY A 62 -28.880 30.690 20.249 1.00 40.96 H new ATOM 0 HA2 GLY A 62 -27.312 29.902 18.974 1.00 38.19 H new ATOM 0 HA3 GLY A 62 -28.317 28.845 18.423 1.00 38.19 H new ATOM 465 N SER A 63 -28.806 31.823 17.407 1.00 34.78 N ATOM 466 CA SER A 63 -28.865 32.766 16.307 1.00 32.62 C ATOM 467 C SER A 63 -27.929 33.904 16.616 1.00 30.58 C ATOM 468 O SER A 63 -27.861 34.354 17.750 1.00 29.26 O ATOM 469 CB SER A 63 -30.279 33.320 16.107 1.00 36.79 C ATOM 470 OG SER A 63 -30.994 32.363 15.355 1.00 44.05 O ATOM 0 H SER A 63 -29.120 32.136 18.144 1.00 34.78 H new ATOM 0 HA SER A 63 -28.610 32.308 15.491 1.00 32.62 H new ATOM 0 HB2 SER A 63 -30.710 33.477 16.962 1.00 36.79 H new ATOM 0 HB3 SER A 63 -30.252 34.171 15.642 1.00 36.79 H new ATOM 0 HG SER A 63 -31.778 32.636 15.228 1.00 44.05 H new ATOM 471 N GLY A 64 -27.182 34.350 15.605 1.00 27.48 N ATOM 472 CA GLY A 64 -26.208 35.411 15.831 1.00 23.82 C ATOM 473 C GLY A 64 -25.496 35.664 14.533 1.00 21.95 C ATOM 474 O GLY A 64 -26.120 35.666 13.475 1.00 18.54 O ATOM 0 H GLY A 64 -27.224 34.057 14.798 1.00 27.48 H new ATOM 0 HA2 GLY A 64 -26.649 36.218 16.140 1.00 23.82 H new ATOM 0 HA3 GLY A 64 -25.577 35.152 16.520 1.00 23.82 H new ATOM 475 N ILE A 65 -24.188 35.912 14.616 1.00 20.82 N ATOM 476 CA ILE A 65 -23.416 36.342 13.443 1.00 19.70 C ATOM 477 C ILE A 65 -21.950 36.015 13.751 1.00 19.46 C ATOM 478 O ILE A 65 -21.529 36.059 14.927 1.00 17.34 O ATOM 479 CB ILE A 65 -23.576 37.867 13.134 1.00 21.14 C ATOM 480 CG1 ILE A 65 -22.817 38.208 11.856 1.00 22.49 C ATOM 481 CG2 ILE A 65 -23.141 38.729 14.317 1.00 20.46 C ATOM 482 CD1 ILE A 65 -23.622 39.011 10.876 1.00 25.90 C ATOM 0 H ILE A 65 -23.728 35.838 15.339 1.00 20.82 H new ATOM 0 HA ILE A 65 -23.739 35.880 12.653 1.00 19.70 H new ATOM 0 HB ILE A 65 -24.515 38.065 12.992 1.00 21.14 H new ATOM 0 HG12 ILE A 65 -22.015 38.703 12.087 1.00 22.49 H new ATOM 0 HG13 ILE A 65 -22.530 37.385 11.430 1.00 22.49 H new ATOM 0 HG21 ILE A 65 -23.252 39.666 14.093 1.00 20.46 H new ATOM 0 HG22 ILE A 65 -23.685 38.515 15.091 1.00 20.46 H new ATOM 0 HG23 ILE A 65 -22.209 38.554 14.520 1.00 20.46 H new ATOM 0 HD11 ILE A 65 -23.085 39.194 10.089 1.00 25.90 H new ATOM 0 HD12 ILE A 65 -24.412 38.510 10.619 1.00 25.90 H new ATOM 0 HD13 ILE A 65 -23.890 39.848 11.286 1.00 25.90 H new ATOM 483 N CYS A 66 -21.201 35.734 12.687 1.00 16.43 N ATOM 484 CA CYS A 66 -19.763 35.514 12.766 1.00 17.96 C ATOM 485 C CYS A 66 -19.117 36.379 11.680 1.00 17.93 C ATOM 486 O CYS A 66 -19.724 36.592 10.598 1.00 16.72 O ATOM 487 CB CYS A 66 -19.402 34.056 12.483 1.00 16.81 C ATOM 488 SG CYS A 66 -20.080 32.830 13.627 1.00 18.60 S ATOM 0 H CYS A 66 -21.519 35.665 11.891 1.00 16.43 H new ATOM 0 HA CYS A 66 -19.454 35.738 13.658 1.00 17.96 H new ATOM 0 HB2 CYS A 66 -19.702 33.836 11.587 1.00 16.81 H new ATOM 0 HB3 CYS A 66 -18.435 33.975 12.487 1.00 16.81 H new ATOM 489 N LYS A 67 -17.874 36.798 11.945 1.00 17.90 N ATOM 490 CA LYS A 67 -17.091 37.677 11.035 1.00 17.41 C ATOM 491 C LYS A 67 -16.544 36.930 9.908 1.00 18.92 C ATOM 492 O LYS A 67 -16.383 37.505 8.823 1.00 20.05 O ATOM 493 CB LYS A 67 -15.981 38.408 11.788 1.00 17.87 C ATOM 494 CG LYS A 67 -16.627 39.592 12.481 1.00 22.03 C ATOM 495 CD LYS A 67 -15.626 40.601 12.883 1.00 23.31 C ATOM 496 CE LYS A 67 -16.254 41.542 13.896 1.00 26.46 C ATOM 497 NZ LYS A 67 -15.224 42.616 13.919 1.00 34.48 N ATOM 0 H LYS A 67 -17.451 36.583 12.662 1.00 17.90 H new ATOM 0 HA LYS A 67 -17.703 38.341 10.682 1.00 17.41 H new ATOM 0 HB2 LYS A 67 -15.559 37.820 12.434 1.00 17.87 H new ATOM 0 HB3 LYS A 67 -15.288 38.703 11.177 1.00 17.87 H new ATOM 0 HG2 LYS A 67 -17.277 39.999 11.888 1.00 22.03 H new ATOM 0 HG3 LYS A 67 -17.110 39.285 13.264 1.00 22.03 H new ATOM 0 HD2 LYS A 67 -14.848 40.167 13.266 1.00 23.31 H new ATOM 0 HD3 LYS A 67 -15.321 41.098 12.108 1.00 23.31 H new ATOM 0 HE2 LYS A 67 -17.123 41.867 13.612 1.00 26.46 H new ATOM 0 HE3 LYS A 67 -16.376 41.126 14.764 1.00 26.46 H new ATOM 0 HZ1 LYS A 67 -15.471 43.253 14.489 1.00 34.48 H new ATOM 0 HZ2 LYS A 67 -14.444 42.274 14.177 1.00 34.48 H new ATOM 0 HZ3 LYS A 67 -15.140 42.964 13.104 1.00 34.48 H new ATOM 498 N THR A 68 -16.282 35.632 10.093 1.00 16.20 N ATOM 499 CA THR A 68 -15.911 34.755 8.963 1.00 15.59 C ATOM 500 C THR A 68 -16.701 33.465 9.045 1.00 16.72 C ATOM 501 O THR A 68 -16.919 32.969 10.191 1.00 13.62 O ATOM 502 CB THR A 68 -14.369 34.434 8.878 1.00 17.06 C ATOM 503 OG1 THR A 68 -13.905 33.657 10.011 1.00 16.69 O ATOM 504 CG2 THR A 68 -13.553 35.705 8.789 1.00 16.20 C ATOM 0 H THR A 68 -16.312 35.238 10.857 1.00 16.20 H new ATOM 0 HA THR A 68 -16.128 35.243 8.154 1.00 15.59 H new ATOM 0 HB THR A 68 -14.246 33.907 8.073 1.00 17.06 H new ATOM 0 HG1 THR A 68 -13.793 34.164 10.671 1.00 16.69 H new ATOM 0 HG21 THR A 68 -12.610 35.482 8.738 1.00 16.20 H new ATOM 0 HG22 THR A 68 -13.811 36.201 7.996 1.00 16.20 H new ATOM 0 HG23 THR A 68 -13.714 36.249 9.576 1.00 16.20 H new ATOM 505 N GLY A 69 -17.068 32.912 7.873 1.00 13.79 N ATOM 506 CA GLY A 69 -17.652 31.599 7.823 1.00 15.09 C ATOM 507 C GLY A 69 -19.114 31.514 8.275 1.00 15.39 C ATOM 508 O GLY A 69 -19.641 30.414 8.463 1.00 16.39 O ATOM 0 H GLY A 69 -16.980 33.295 7.108 1.00 13.79 H new ATOM 0 HA2 GLY A 69 -17.591 31.268 6.913 1.00 15.09 H new ATOM 0 HA3 GLY A 69 -17.123 31.004 8.377 1.00 15.09 H new ATOM 509 N ASP A 70 -19.789 32.652 8.390 1.00 15.48 N ATOM 510 CA ASP A 70 -21.140 32.660 8.952 1.00 16.35 C ATOM 511 C ASP A 70 -22.074 31.775 8.074 1.00 17.29 C ATOM 512 O ASP A 70 -21.987 31.880 6.807 1.00 17.29 O ATOM 513 CB ASP A 70 -21.669 34.093 8.986 1.00 17.34 C ATOM 514 CG ASP A 70 -23.027 34.204 9.701 1.00 21.40 C ATOM 515 OD1 ASP A 70 -23.085 33.963 10.925 1.00 23.52 O ATOM 516 OD2 ASP A 70 -24.029 34.469 8.994 1.00 21.99 O ATOM 0 H ASP A 70 -19.490 33.423 8.153 1.00 15.48 H new ATOM 0 HA ASP A 70 -21.118 32.305 9.854 1.00 16.35 H new ATOM 0 HB2 ASP A 70 -21.024 34.662 9.434 1.00 17.34 H new ATOM 0 HB3 ASP A 70 -21.757 34.424 8.078 1.00 17.34 H new ATOM 517 N CYS A 71 -22.964 30.940 8.680 1.00 18.39 N ATOM 518 CA CYS A 71 -23.801 30.054 7.841 1.00 20.17 C ATOM 519 C CYS A 71 -25.262 30.486 8.099 1.00 22.56 C ATOM 520 O CYS A 71 -25.969 29.839 8.839 1.00 24.15 O ATOM 521 CB CYS A 71 -23.591 28.559 8.144 1.00 17.50 C ATOM 522 SG CYS A 71 -23.893 28.255 9.896 1.00 21.22 S ATOM 0 H CYS A 71 -23.089 30.877 9.529 1.00 18.39 H new ATOM 0 HA CYS A 71 -23.557 30.147 6.907 1.00 20.17 H new ATOM 0 HB2 CYS A 71 -24.192 28.022 7.604 1.00 17.50 H new ATOM 0 HB3 CYS A 71 -22.687 28.295 7.911 1.00 17.50 H new ATOM 523 N GLY A 72 -25.649 31.635 7.534 1.00 21.39 N ATOM 524 CA GLY A 72 -26.975 32.207 7.706 1.00 22.98 C ATOM 525 C GLY A 72 -27.307 32.520 9.157 1.00 24.27 C ATOM 526 O GLY A 72 -28.445 32.396 9.561 1.00 23.93 O ATOM 0 H GLY A 72 -25.134 32.107 7.032 1.00 21.39 H new ATOM 0 HA2 GLY A 72 -27.041 33.021 7.182 1.00 22.98 H new ATOM 0 HA3 GLY A 72 -27.636 31.590 7.355 1.00 22.98 H new ATOM 527 N GLY A 73 -26.329 32.913 9.951 1.00 20.98 N ATOM 528 CA GLY A 73 -26.612 33.341 11.321 1.00 22.62 C ATOM 529 C GLY A 73 -26.892 32.244 12.349 1.00 26.19 C ATOM 530 O GLY A 73 -27.335 32.553 13.435 1.00 28.39 O ATOM 0 H GLY A 73 -25.500 32.942 9.726 1.00 20.98 H new ATOM 0 HA2 GLY A 73 -25.857 33.863 11.635 1.00 22.62 H new ATOM 0 HA3 GLY A 73 -27.378 33.935 11.299 1.00 22.62 H new ATOM 531 N LEU A 74 -26.598 30.978 12.059 1.00 21.61 N ATOM 532 CA LEU A 74 -26.918 29.884 12.981 1.00 22.63 C ATOM 533 C LEU A 74 -25.650 29.343 13.647 1.00 23.60 C ATOM 534 O LEU A 74 -24.582 29.264 12.995 1.00 20.61 O ATOM 535 CB LEU A 74 -27.592 28.714 12.244 1.00 23.48 C ATOM 536 CG LEU A 74 -28.880 29.071 11.484 1.00 22.45 C ATOM 537 CD1 LEU A 74 -29.397 27.861 10.732 1.00 23.84 C ATOM 538 CD2 LEU A 74 -29.879 29.555 12.492 1.00 27.40 C ATOM 0 H LEU A 74 -26.212 30.729 11.332 1.00 21.61 H new ATOM 0 HA LEU A 74 -27.521 30.248 13.648 1.00 22.63 H new ATOM 0 HB2 LEU A 74 -26.956 28.338 11.615 1.00 23.48 H new ATOM 0 HB3 LEU A 74 -27.797 28.019 12.889 1.00 23.48 H new ATOM 0 HG LEU A 74 -28.714 29.765 10.827 1.00 22.45 H new ATOM 0 HD11 LEU A 74 -30.209 28.098 10.257 1.00 23.84 H new ATOM 0 HD12 LEU A 74 -28.726 27.563 10.097 1.00 23.84 H new ATOM 0 HD13 LEU A 74 -29.587 27.146 11.360 1.00 23.84 H new ATOM 0 HD21 LEU A 74 -30.706 29.789 12.042 1.00 27.40 H new ATOM 0 HD22 LEU A 74 -30.051 28.854 13.140 1.00 27.40 H new ATOM 0 HD23 LEU A 74 -29.527 30.336 12.947 1.00 27.40 H new ATOM 539 N LEU A 75 -25.770 28.957 14.923 1.00 21.47 N ATOM 540 CA LEU A 75 -24.676 28.231 15.612 1.00 21.77 C ATOM 541 C LEU A 75 -24.463 26.872 14.943 1.00 22.22 C ATOM 542 O LEU A 75 -23.327 26.503 14.610 1.00 21.87 O ATOM 543 CB LEU A 75 -24.967 28.074 17.144 1.00 20.69 C ATOM 544 CG LEU A 75 -24.087 27.173 18.029 1.00 22.61 C ATOM 545 CD1 LEU A 75 -22.577 27.488 17.844 1.00 23.17 C ATOM 546 CD2 LEU A 75 -24.501 27.365 19.495 1.00 22.76 C ATOM 0 H LEU A 75 -26.466 29.101 15.408 1.00 21.47 H new ATOM 0 HA LEU A 75 -23.860 28.750 15.534 1.00 21.77 H new ATOM 0 HB2 LEU A 75 -24.942 28.963 17.531 1.00 20.69 H new ATOM 0 HB3 LEU A 75 -25.878 27.753 17.229 1.00 20.69 H new ATOM 0 HG LEU A 75 -24.219 26.249 17.765 1.00 22.61 H new ATOM 0 HD11 LEU A 75 -22.052 26.904 18.414 1.00 23.17 H new ATOM 0 HD12 LEU A 75 -22.327 27.344 16.918 1.00 23.17 H new ATOM 0 HD13 LEU A 75 -22.407 28.412 18.084 1.00 23.17 H new ATOM 0 HD21 LEU A 75 -23.953 26.801 20.063 1.00 22.76 H new ATOM 0 HD22 LEU A 75 -24.379 28.294 19.747 1.00 22.76 H new ATOM 0 HD23 LEU A 75 -25.434 27.121 19.603 1.00 22.76 H new ATOM 547 N ARG A 76 -25.579 26.157 14.660 1.00 22.42 N ATOM 548 CA ARG A 76 -25.527 24.841 14.037 1.00 22.94 C ATOM 549 C ARG A 76 -25.783 24.920 12.553 1.00 25.26 C ATOM 550 O ARG A 76 -26.964 24.993 12.103 1.00 28.01 O ATOM 551 CB ARG A 76 -26.552 23.919 14.716 1.00 25.52 C ATOM 552 CG ARG A 76 -26.375 23.828 16.214 1.00 32.82 C ATOM 553 CD ARG A 76 -27.706 23.360 16.731 1.00 42.11 C ATOM 554 NE ARG A 76 -27.492 22.436 17.802 1.00 56.61 N ATOM 555 CZ ARG A 76 -27.379 22.792 19.081 1.00 73.04 C ATOM 556 NH1 ARG A 76 -27.454 24.084 19.434 1.00 78.84 N ATOM 557 NH2 ARG A 76 -27.193 21.848 20.011 1.00 77.78 N ATOM 0 H ARG A 76 -26.376 26.433 14.829 1.00 22.42 H new ATOM 0 HA ARG A 76 -24.635 24.477 14.154 1.00 22.94 H new ATOM 0 HB2 ARG A 76 -27.446 24.241 14.521 1.00 25.52 H new ATOM 0 HB3 ARG A 76 -26.481 23.030 14.334 1.00 25.52 H new ATOM 0 HG2 ARG A 76 -25.668 23.206 16.448 1.00 32.82 H new ATOM 0 HG3 ARG A 76 -26.133 24.688 16.593 1.00 32.82 H new ATOM 0 HD2 ARG A 76 -28.230 24.116 17.040 1.00 42.11 H new ATOM 0 HD3 ARG A 76 -28.212 22.937 16.020 1.00 42.11 H new ATOM 0 HE ARG A 76 -27.433 21.600 17.609 1.00 56.61 H new ATOM 0 HH11 ARG A 76 -27.576 24.687 18.833 1.00 78.84 H new ATOM 0 HH12 ARG A 76 -27.380 24.309 20.261 1.00 78.84 H new ATOM 0 HH21 ARG A 76 -27.147 21.021 19.781 1.00 77.78 H new ATOM 0 HH22 ARG A 76 -27.119 22.069 20.839 1.00 77.78 H new ATOM 558 N CYS A 77 -24.715 24.873 11.741 1.00 22.85 N ATOM 559 CA CYS A 77 -24.855 25.140 10.290 1.00 22.42 C ATOM 560 C CYS A 77 -25.579 24.058 9.510 1.00 26.36 C ATOM 561 O CYS A 77 -25.246 22.874 9.667 1.00 27.04 O ATOM 562 CB CYS A 77 -23.491 25.362 9.631 1.00 21.89 C ATOM 563 SG CYS A 77 -22.640 26.788 10.336 1.00 19.99 S ATOM 0 H CYS A 77 -23.915 24.693 12.000 1.00 22.85 H new ATOM 0 HA CYS A 77 -25.400 25.942 10.253 1.00 22.42 H new ATOM 0 HB2 CYS A 77 -22.943 24.569 9.743 1.00 21.89 H new ATOM 0 HB3 CYS A 77 -23.609 25.493 8.677 1.00 21.89 H new ATOM 564 N LYS A 78 -26.564 24.468 8.695 1.00 25.30 N ATOM 565 CA LYS A 78 -27.192 23.589 7.697 1.00 31.08 C ATOM 566 C LYS A 78 -26.619 23.849 6.336 1.00 32.30 C ATOM 567 O LYS A 78 -26.703 22.998 5.463 1.00 39.43 O ATOM 568 CB LYS A 78 -28.714 23.820 7.589 1.00 36.39 C ATOM 569 CG LYS A 78 -29.547 23.071 8.598 1.00 48.96 C ATOM 570 CD LYS A 78 -29.853 23.937 9.815 1.00 65.38 C ATOM 571 CE LYS A 78 -29.993 23.079 11.076 1.00 71.32 C ATOM 572 NZ LYS A 78 -29.338 23.679 12.278 1.00 59.18 N ATOM 0 H LYS A 78 -26.886 25.265 8.707 1.00 25.30 H new ATOM 0 HA LYS A 78 -27.017 22.682 7.992 1.00 31.08 H new ATOM 0 HB2 LYS A 78 -28.891 24.769 7.685 1.00 36.39 H new ATOM 0 HB3 LYS A 78 -29.003 23.566 6.699 1.00 36.39 H new ATOM 0 HG2 LYS A 78 -30.377 22.783 8.186 1.00 48.96 H new ATOM 0 HG3 LYS A 78 -29.077 22.270 8.878 1.00 48.96 H new ATOM 0 HD2 LYS A 78 -29.145 24.588 9.939 1.00 65.38 H new ATOM 0 HD3 LYS A 78 -30.672 24.434 9.665 1.00 65.38 H new ATOM 0 HE2 LYS A 78 -30.935 22.943 11.263 1.00 71.32 H new ATOM 0 HE3 LYS A 78 -29.608 22.205 10.909 1.00 71.32 H new ATOM 0 HZ1 LYS A 78 -29.152 23.038 12.866 1.00 59.18 H new ATOM 0 HZ2 LYS A 78 -28.584 24.085 12.034 1.00 59.18 H new ATOM 0 HZ3 LYS A 78 -29.887 24.272 12.650 1.00 59.18 H new ATOM 573 N ARG A 79 -26.077 25.048 6.129 1.00 30.40 N ATOM 574 CA ARG A 79 -25.604 25.466 4.824 1.00 27.93 C ATOM 575 C ARG A 79 -24.098 25.772 4.945 1.00 25.88 C ATOM 576 O ARG A 79 -23.578 25.865 6.032 1.00 23.62 O ATOM 577 CB ARG A 79 -26.318 26.751 4.388 1.00 33.14 C ATOM 578 CG ARG A 79 -27.824 26.719 4.538 1.00 50.00 C ATOM 579 CD ARG A 79 -28.462 26.196 3.269 1.00 62.16 C ATOM 580 NE ARG A 79 -29.456 25.145 3.501 1.00 81.11 N ATOM 581 CZ ARG A 79 -30.043 24.435 2.528 1.00 92.70 C ATOM 582 NH1 ARG A 79 -29.755 24.655 1.244 1.00 96.26 N ATOM 583 NH2 ARG A 79 -30.927 23.491 2.832 1.00 97.69 N ATOM 0 H ARG A 79 -25.976 25.639 6.746 1.00 30.40 H new ATOM 0 HA ARG A 79 -25.777 24.766 4.175 1.00 27.93 H new ATOM 0 HB2 ARG A 79 -25.969 27.493 4.907 1.00 33.14 H new ATOM 0 HB3 ARG A 79 -26.101 26.928 3.459 1.00 33.14 H new ATOM 0 HG2 ARG A 79 -28.070 26.155 5.288 1.00 50.00 H new ATOM 0 HG3 ARG A 79 -28.156 27.610 4.732 1.00 50.00 H new ATOM 0 HD2 ARG A 79 -28.885 26.933 2.801 1.00 62.16 H new ATOM 0 HD3 ARG A 79 -27.768 25.851 2.686 1.00 62.16 H new ATOM 0 HE ARG A 79 -29.677 24.973 4.314 1.00 81.11 H new ATOM 0 HH11 ARG A 79 -29.184 25.261 1.029 1.00 96.26 H new ATOM 0 HH12 ARG A 79 -30.140 24.191 0.631 1.00 96.26 H new ATOM 0 HH21 ARG A 79 -31.123 23.335 3.655 1.00 97.69 H new ATOM 0 HH22 ARG A 79 -31.303 23.036 2.206 1.00 97.69 H new ATOM 584 N PHE A 80 -23.433 25.960 3.806 1.00 20.52 N ATOM 585 CA PHE A 80 -21.999 26.342 3.791 1.00 21.07 C ATOM 586 C PHE A 80 -21.829 27.772 4.294 1.00 21.01 C ATOM 587 O PHE A 80 -22.807 28.550 4.364 1.00 22.22 O ATOM 588 CB PHE A 80 -21.441 26.142 2.411 1.00 19.10 C ATOM 589 CG PHE A 80 -21.365 24.711 2.000 1.00 19.45 C ATOM 590 CD1 PHE A 80 -21.023 23.712 2.926 1.00 20.82 C ATOM 591 CD2 PHE A 80 -21.621 24.343 0.686 1.00 22.25 C ATOM 592 CE1 PHE A 80 -20.964 22.386 2.550 1.00 19.46 C ATOM 593 CE2 PHE A 80 -21.538 23.012 0.282 1.00 22.26 C ATOM 594 CZ PHE A 80 -21.210 22.024 1.220 1.00 24.49 C ATOM 0 H PHE A 80 -23.785 25.874 3.026 1.00 20.52 H new ATOM 0 HA PHE A 80 -21.496 25.773 4.394 1.00 21.07 H new ATOM 0 HB2 PHE A 80 -21.991 26.625 1.775 1.00 19.10 H new ATOM 0 HB3 PHE A 80 -20.553 26.530 2.370 1.00 19.10 H new ATOM 0 HD1 PHE A 80 -20.834 23.948 3.805 1.00 20.82 H new ATOM 0 HD2 PHE A 80 -21.852 24.996 0.065 1.00 22.25 H new ATOM 0 HE1 PHE A 80 -20.761 21.733 3.180 1.00 19.46 H new ATOM 0 HE2 PHE A 80 -21.699 22.781 -0.604 1.00 22.26 H new ATOM 0 HZ PHE A 80 -21.156 21.133 0.961 1.00 24.49 H new ATOM 595 N GLY A 81 -20.625 28.120 4.687 1.00 19.46 N ATOM 596 CA GLY A 81 -20.403 29.373 5.365 1.00 15.41 C ATOM 597 C GLY A 81 -19.950 30.440 4.380 1.00 17.36 C ATOM 598 O GLY A 81 -19.472 30.165 3.268 1.00 15.87 O ATOM 0 H GLY A 81 -19.919 27.643 4.570 1.00 19.46 H new ATOM 0 HA2 GLY A 81 -21.219 29.657 5.805 1.00 15.41 H new ATOM 0 HA3 GLY A 81 -19.733 29.258 6.057 1.00 15.41 H new ATOM 599 N ARG A 82 -20.092 31.695 4.794 1.00 15.99 N ATOM 600 CA ARG A 82 -19.746 32.867 3.948 1.00 17.52 C ATOM 601 C ARG A 82 -18.191 32.974 3.882 1.00 15.37 C ATOM 602 O ARG A 82 -17.552 32.923 4.962 1.00 15.73 O ATOM 603 CB ARG A 82 -20.289 34.107 4.677 1.00 19.16 C ATOM 604 CG ARG A 82 -20.172 35.375 3.862 1.00 27.41 C ATOM 605 CD ARG A 82 -21.263 36.366 4.372 1.00 32.16 C ATOM 606 NE ARG A 82 -21.216 37.592 3.585 1.00 38.45 N ATOM 607 CZ ARG A 82 -20.275 38.543 3.712 1.00 36.06 C ATOM 608 NH1 ARG A 82 -19.285 38.438 4.596 1.00 36.51 N ATOM 609 NH2 ARG A 82 -20.297 39.588 2.921 1.00 35.82 N ATOM 0 H ARG A 82 -20.391 31.905 5.573 1.00 15.99 H new ATOM 0 HA ARG A 82 -20.113 32.790 3.053 1.00 17.52 H new ATOM 0 HB2 ARG A 82 -21.221 33.960 4.904 1.00 19.16 H new ATOM 0 HB3 ARG A 82 -19.809 34.220 5.512 1.00 19.16 H new ATOM 0 HG2 ARG A 82 -19.288 35.762 3.959 1.00 27.41 H new ATOM 0 HG3 ARG A 82 -20.297 35.187 2.919 1.00 27.41 H new ATOM 0 HD2 ARG A 82 -22.141 35.959 4.302 1.00 32.16 H new ATOM 0 HD3 ARG A 82 -21.118 36.567 5.310 1.00 32.16 H new ATOM 0 HE ARG A 82 -21.833 37.715 2.999 1.00 38.45 H new ATOM 0 HH11 ARG A 82 -19.235 37.747 5.106 1.00 36.51 H new ATOM 0 HH12 ARG A 82 -18.695 39.061 4.657 1.00 36.51 H new ATOM 0 HH21 ARG A 82 -20.912 39.663 2.324 1.00 35.82 H new ATOM 0 HH22 ARG A 82 -19.697 40.199 2.999 1.00 35.82 H new ATOM 610 N PRO A 83 -17.564 33.106 2.666 1.00 15.78 N ATOM 611 CA PRO A 83 -16.076 33.330 2.578 1.00 13.99 C ATOM 612 C PRO A 83 -15.641 34.559 3.407 1.00 13.90 C ATOM 613 O PRO A 83 -16.418 35.485 3.534 1.00 15.55 O ATOM 614 CB PRO A 83 -15.865 33.618 1.095 1.00 16.44 C ATOM 615 CG PRO A 83 -16.977 32.801 0.464 1.00 17.07 C ATOM 616 CD PRO A 83 -18.158 33.143 1.312 1.00 17.09 C ATOM 0 HA PRO A 83 -15.566 32.578 2.917 1.00 13.99 H new ATOM 0 HB2 PRO A 83 -15.947 34.563 0.892 1.00 16.44 H new ATOM 0 HB3 PRO A 83 -14.988 33.337 0.790 1.00 16.44 H new ATOM 0 HG2 PRO A 83 -17.119 33.042 -0.465 1.00 17.07 H new ATOM 0 HG3 PRO A 83 -16.782 31.851 0.484 1.00 17.07 H new ATOM 0 HD2 PRO A 83 -18.523 34.016 1.096 1.00 17.09 H new ATOM 0 HD3 PRO A 83 -18.879 32.502 1.211 1.00 17.09 H new ATOM 617 N PRO A 84 -14.406 34.636 3.898 1.00 14.59 N ATOM 618 CA PRO A 84 -13.351 33.655 3.637 1.00 13.40 C ATOM 619 C PRO A 84 -13.411 32.490 4.622 1.00 13.51 C ATOM 620 O PRO A 84 -13.618 32.705 5.832 1.00 17.09 O ATOM 621 CB PRO A 84 -12.042 34.491 3.805 1.00 13.32 C ATOM 622 CG PRO A 84 -12.429 35.604 4.820 1.00 13.96 C ATOM 623 CD PRO A 84 -13.926 35.826 4.675 1.00 15.49 C ATOM 0 HA PRO A 84 -13.424 33.240 2.763 1.00 13.40 H new ATOM 0 HB2 PRO A 84 -11.313 33.945 4.138 1.00 13.32 H new ATOM 0 HB3 PRO A 84 -11.751 34.868 2.960 1.00 13.32 H new ATOM 0 HG2 PRO A 84 -12.207 35.337 5.726 1.00 13.96 H new ATOM 0 HG3 PRO A 84 -11.940 36.422 4.637 1.00 13.96 H new ATOM 0 HD2 PRO A 84 -14.361 35.882 5.540 1.00 15.49 H new ATOM 0 HD3 PRO A 84 -14.117 36.654 4.207 1.00 15.49 H new ATOM 624 N THR A 85 -13.144 31.290 4.133 1.00 13.51 N ATOM 625 CA THR A 85 -13.161 30.065 4.975 1.00 13.20 C ATOM 626 C THR A 85 -12.194 29.060 4.405 1.00 12.61 C ATOM 627 O THR A 85 -12.443 28.600 3.273 1.00 13.29 O ATOM 628 CB THR A 85 -14.512 29.353 4.920 1.00 13.99 C ATOM 629 OG1 THR A 85 -14.916 29.099 3.550 1.00 15.26 O ATOM 630 CG2 THR A 85 -15.675 30.190 5.650 1.00 14.07 C ATOM 0 H THR A 85 -12.947 31.146 3.308 1.00 13.51 H new ATOM 0 HA THR A 85 -12.949 30.349 5.878 1.00 13.20 H new ATOM 0 HB THR A 85 -14.390 28.513 5.390 1.00 13.99 H new ATOM 0 HG1 THR A 85 -14.253 28.836 3.106 1.00 15.26 H new ATOM 0 HG21 THR A 85 -16.511 29.702 5.591 1.00 14.07 H new ATOM 0 HG22 THR A 85 -15.443 30.321 6.583 1.00 14.07 H new ATOM 0 HG23 THR A 85 -15.773 31.053 5.218 1.00 14.07 H new ATOM 631 N THR A 86 -11.124 28.723 5.145 1.00 11.44 N ATOM 632 CA THR A 86 -10.244 27.573 4.780 1.00 12.54 C ATOM 633 C THR A 86 -11.173 26.327 4.901 1.00 13.03 C ATOM 634 O THR A 86 -11.909 26.275 5.866 1.00 12.44 O ATOM 635 CB THR A 86 -9.098 27.440 5.776 1.00 13.40 C ATOM 636 OG1 THR A 86 -8.593 28.761 6.006 1.00 11.26 O ATOM 637 CG2 THR A 86 -7.994 26.500 5.226 1.00 12.84 C ATOM 0 H THR A 86 -10.885 29.139 5.859 1.00 11.44 H new ATOM 0 HA THR A 86 -9.853 27.678 3.899 1.00 12.54 H new ATOM 0 HB THR A 86 -9.404 27.045 6.607 1.00 13.40 H new ATOM 0 HG1 THR A 86 -8.099 28.758 6.685 1.00 11.26 H new ATOM 0 HG21 THR A 86 -7.276 26.430 5.874 1.00 12.84 H new ATOM 0 HG22 THR A 86 -8.369 25.620 5.063 1.00 12.84 H new ATOM 0 HG23 THR A 86 -7.645 26.861 4.396 1.00 12.84 H new ATOM 638 N LEU A 87 -11.222 25.446 3.883 1.00 12.88 N ATOM 639 CA LEU A 87 -12.183 24.315 3.911 1.00 13.99 C ATOM 640 C LEU A 87 -11.486 22.987 3.954 1.00 15.39 C ATOM 641 O LEU A 87 -10.566 22.804 3.146 1.00 15.66 O ATOM 642 CB LEU A 87 -13.093 24.347 2.633 1.00 12.81 C ATOM 643 CG LEU A 87 -13.973 25.585 2.553 1.00 12.88 C ATOM 644 CD1 LEU A 87 -14.558 25.505 1.140 1.00 14.44 C ATOM 645 CD2 LEU A 87 -15.049 25.511 3.646 1.00 14.73 C ATOM 0 H LEU A 87 -10.723 25.481 3.184 1.00 12.88 H new ATOM 0 HA LEU A 87 -12.715 24.418 4.716 1.00 13.99 H new ATOM 0 HB2 LEU A 87 -12.532 24.305 1.843 1.00 12.81 H new ATOM 0 HB3 LEU A 87 -13.655 23.557 2.624 1.00 12.81 H new ATOM 0 HG LEU A 87 -13.510 26.425 2.698 1.00 12.88 H new ATOM 0 HD11 LEU A 87 -15.143 26.263 0.989 1.00 14.44 H new ATOM 0 HD12 LEU A 87 -13.838 25.518 0.490 1.00 14.44 H new ATOM 0 HD13 LEU A 87 -15.064 24.683 1.045 1.00 14.44 H new ATOM 0 HD21 LEU A 87 -15.613 26.299 3.599 1.00 14.73 H new ATOM 0 HD22 LEU A 87 -15.591 24.717 3.514 1.00 14.73 H new ATOM 0 HD23 LEU A 87 -14.624 25.470 4.517 1.00 14.73 H new ATOM 646 N ALA A 88 -11.923 22.087 4.889 1.00 13.13 N ATOM 647 CA ALA A 88 -11.600 20.684 4.791 1.00 15.07 C ATOM 648 C ALA A 88 -12.793 20.021 4.011 1.00 14.91 C ATOM 649 O ALA A 88 -13.962 20.149 4.400 1.00 15.43 O ATOM 650 CB ALA A 88 -11.428 20.047 6.179 1.00 14.40 C ATOM 0 H ALA A 88 -12.402 22.296 5.572 1.00 13.13 H new ATOM 0 HA ALA A 88 -10.756 20.552 4.331 1.00 15.07 H new ATOM 0 HB1 ALA A 88 -11.212 19.107 6.079 1.00 14.40 H new ATOM 0 HB2 ALA A 88 -10.710 20.494 6.654 1.00 14.40 H new ATOM 0 HB3 ALA A 88 -12.253 20.137 6.681 1.00 14.40 H new ATOM 651 N GLU A 89 -12.482 19.306 2.933 1.00 13.15 N ATOM 652 CA GLU A 89 -13.545 18.759 2.086 1.00 13.74 C ATOM 653 C GLU A 89 -13.391 17.248 1.953 1.00 13.78 C ATOM 654 O GLU A 89 -12.252 16.719 1.911 1.00 13.14 O ATOM 655 CB GLU A 89 -13.420 19.374 0.679 1.00 13.92 C ATOM 656 CG GLU A 89 -13.333 20.931 0.709 1.00 14.11 C ATOM 657 CD GLU A 89 -13.340 21.455 -0.687 1.00 18.56 C ATOM 658 OE1 GLU A 89 -12.447 21.080 -1.496 1.00 18.19 O ATOM 659 OE2 GLU A 89 -14.218 22.271 -0.963 1.00 21.02 O ATOM 0 H GLU A 89 -11.681 19.128 2.676 1.00 13.15 H new ATOM 0 HA GLU A 89 -14.404 18.966 2.486 1.00 13.74 H new ATOM 0 HB2 GLU A 89 -12.630 19.018 0.243 1.00 13.92 H new ATOM 0 HB3 GLU A 89 -14.184 19.107 0.144 1.00 13.92 H new ATOM 0 HG2 GLU A 89 -14.081 21.297 1.206 1.00 14.11 H new ATOM 0 HG3 GLU A 89 -12.525 21.211 1.166 1.00 14.11 H new ATOM 660 N PHE A 90 -14.518 16.545 1.877 1.00 15.15 N ATOM 661 CA PHE A 90 -14.429 15.084 1.895 1.00 16.11 C ATOM 662 C PHE A 90 -15.649 14.466 1.217 1.00 15.94 C ATOM 663 O PHE A 90 -16.773 14.969 1.346 1.00 17.41 O ATOM 664 CB PHE A 90 -14.212 14.531 3.352 1.00 16.62 C ATOM 665 CG PHE A 90 -15.168 15.101 4.385 1.00 16.16 C ATOM 666 CD1 PHE A 90 -16.398 14.497 4.618 1.00 19.33 C ATOM 667 CD2 PHE A 90 -14.848 16.264 5.097 1.00 17.98 C ATOM 668 CE1 PHE A 90 -17.296 15.037 5.549 1.00 17.76 C ATOM 669 CE2 PHE A 90 -15.748 16.811 6.015 1.00 17.37 C ATOM 670 CZ PHE A 90 -16.953 16.186 6.235 1.00 18.50 C ATOM 0 H PHE A 90 -15.311 16.873 1.817 1.00 15.15 H new ATOM 0 HA PHE A 90 -13.646 14.822 1.386 1.00 16.11 H new ATOM 0 HB2 PHE A 90 -14.306 13.566 3.338 1.00 16.62 H new ATOM 0 HB3 PHE A 90 -13.302 14.723 3.628 1.00 16.62 H new ATOM 0 HD1 PHE A 90 -16.628 13.726 4.151 1.00 19.33 H new ATOM 0 HD2 PHE A 90 -14.027 16.677 4.957 1.00 17.98 H new ATOM 0 HE1 PHE A 90 -18.116 14.625 5.704 1.00 17.76 H new ATOM 0 HE2 PHE A 90 -15.534 17.591 6.473 1.00 17.37 H new ATOM 0 HZ PHE A 90 -17.547 16.543 6.856 1.00 18.50 H new ATOM 671 N SER A 91 -15.391 13.408 0.466 1.00 17.58 N ATOM 672 CA SER A 91 -16.424 12.523 0.016 1.00 18.06 C ATOM 673 C SER A 91 -16.094 11.116 0.493 1.00 17.11 C ATOM 674 O SER A 91 -14.989 10.643 0.273 1.00 17.70 O ATOM 675 CB SER A 91 -16.537 12.608 -1.501 1.00 18.89 C ATOM 676 OG SER A 91 -17.040 13.908 -1.825 1.00 22.22 O ATOM 0 H SER A 91 -14.601 13.189 0.205 1.00 17.58 H new ATOM 0 HA SER A 91 -17.286 12.774 0.383 1.00 18.06 H new ATOM 0 HB2 SER A 91 -15.672 12.464 -1.916 1.00 18.89 H new ATOM 0 HB3 SER A 91 -17.131 11.919 -1.838 1.00 18.89 H new ATOM 0 HG SER A 91 -17.780 13.833 -2.215 1.00 22.22 H new ATOM 677 N LEU A 92 -17.061 10.469 1.173 1.00 16.00 N ATOM 678 CA LEU A 92 -16.712 9.227 1.858 1.00 18.71 C ATOM 679 C LEU A 92 -17.261 8.009 1.085 1.00 17.99 C ATOM 680 O LEU A 92 -18.328 8.125 0.535 1.00 19.09 O ATOM 681 CB LEU A 92 -17.280 9.258 3.295 1.00 18.95 C ATOM 682 CG LEU A 92 -16.748 10.447 4.136 1.00 18.69 C ATOM 683 CD1 LEU A 92 -17.231 10.369 5.572 1.00 17.79 C ATOM 684 CD2 LEU A 92 -15.252 10.520 4.106 1.00 20.03 C ATOM 0 H LEU A 92 -17.880 10.722 1.244 1.00 16.00 H new ATOM 0 HA LEU A 92 -15.746 9.145 1.898 1.00 18.71 H new ATOM 0 HB2 LEU A 92 -18.248 9.306 3.253 1.00 18.95 H new ATOM 0 HB3 LEU A 92 -17.057 8.427 3.743 1.00 18.95 H new ATOM 0 HG LEU A 92 -17.102 11.255 3.733 1.00 18.69 H new ATOM 0 HD11 LEU A 92 -16.883 11.124 6.072 1.00 17.79 H new ATOM 0 HD12 LEU A 92 -18.201 10.390 5.589 1.00 17.79 H new ATOM 0 HD13 LEU A 92 -16.919 9.544 5.974 1.00 17.79 H new ATOM 0 HD21 LEU A 92 -14.954 11.273 4.640 1.00 20.03 H new ATOM 0 HD22 LEU A 92 -14.881 9.700 4.467 1.00 20.03 H new ATOM 0 HD23 LEU A 92 -14.952 10.635 3.191 1.00 20.03 H new ATOM 685 N ASN A 93 -16.565 6.871 1.148 1.00 20.43 N ATOM 686 CA ASN A 93 -17.076 5.577 0.598 1.00 21.94 C ATOM 687 C ASN A 93 -17.526 5.750 -0.839 1.00 23.02 C ATOM 688 O ASN A 93 -18.709 5.518 -1.153 1.00 23.67 O ATOM 689 CB ASN A 93 -18.260 5.076 1.436 1.00 19.68 C ATOM 690 CG ASN A 93 -17.893 4.940 2.907 1.00 22.13 C ATOM 691 OD1 ASN A 93 -18.430 5.824 3.700 1.00 22.68 O flip ATOM 692 ND2 ASN A 93 -17.094 4.042 3.309 1.00 18.22 N flip ATOM 0 H ASN A 93 -15.785 6.813 1.506 1.00 20.43 H new ATOM 0 HA ASN A 93 -16.355 4.929 0.632 1.00 21.94 H new ATOM 0 HB2 ASN A 93 -19.005 5.691 1.344 1.00 19.68 H new ATOM 0 HB3 ASN A 93 -18.557 4.217 1.096 1.00 19.68 H new ATOM 0 HD21 ASN A 93 -16.763 3.479 2.749 1.00 18.22 H new ATOM 0 HD22 ASN A 93 -16.883 3.996 4.141 1.00 18.22 H new ATOM 693 N GLN A 94 -16.639 6.277 -1.682 1.00 22.73 N ATOM 694 CA GLN A 94 -16.993 6.482 -3.109 1.00 25.92 C ATOM 695 C GLN A 94 -16.292 5.380 -3.844 1.00 24.37 C ATOM 696 O GLN A 94 -15.046 5.405 -4.044 1.00 22.36 O ATOM 697 CB GLN A 94 -16.578 7.867 -3.649 1.00 26.54 C ATOM 698 CG GLN A 94 -17.234 9.011 -2.879 1.00 31.26 C ATOM 699 CD GLN A 94 -18.759 8.998 -2.963 1.00 35.40 C ATOM 700 OE1 GLN A 94 -19.318 8.870 -4.054 1.00 41.78 O ATOM 701 NE2 GLN A 94 -19.437 9.164 -1.823 1.00 33.06 N ATOM 0 H GLN A 94 -15.843 6.521 -1.465 1.00 22.73 H new ATOM 0 HA GLN A 94 -17.955 6.458 -3.228 1.00 25.92 H new ATOM 0 HB2 GLN A 94 -15.614 7.956 -3.597 1.00 26.54 H new ATOM 0 HB3 GLN A 94 -16.818 7.931 -4.587 1.00 26.54 H new ATOM 0 HG2 GLN A 94 -16.967 8.961 -1.948 1.00 31.26 H new ATOM 0 HG3 GLN A 94 -16.904 9.856 -3.224 1.00 31.26 H new ATOM 0 HE21 GLN A 94 -19.014 9.250 -1.079 1.00 33.06 H new ATOM 0 HE22 GLN A 94 -20.297 9.185 -1.833 1.00 33.06 H new ATOM 702 N TYR A 95 -17.093 4.372 -4.231 1.00 26.37 N ATOM 703 CA TYR A 95 -16.511 3.160 -4.875 1.00 30.58 C ATOM 704 C TYR A 95 -15.321 2.553 -4.104 1.00 26.51 C ATOM 705 O TYR A 95 -14.266 2.251 -4.659 1.00 30.51 O ATOM 706 CB TYR A 95 -16.166 3.435 -6.340 1.00 29.97 C ATOM 707 CG TYR A 95 -17.376 3.885 -7.118 1.00 36.02 C ATOM 708 CD1 TYR A 95 -18.275 2.953 -7.650 1.00 39.72 C ATOM 709 CD2 TYR A 95 -17.626 5.247 -7.322 1.00 40.32 C ATOM 710 CE1 TYR A 95 -19.413 3.355 -8.360 1.00 46.59 C ATOM 711 CE2 TYR A 95 -18.753 5.675 -8.028 1.00 45.49 C ATOM 712 CZ TYR A 95 -19.648 4.729 -8.548 1.00 51.61 C ATOM 713 OH TYR A 95 -20.766 5.157 -9.251 1.00 50.98 O ATOM 0 H TYR A 95 -17.948 4.361 -4.137 1.00 26.37 H new ATOM 0 HA TYR A 95 -17.201 2.479 -4.846 1.00 30.58 H new ATOM 0 HB2 TYR A 95 -15.477 4.116 -6.389 1.00 29.97 H new ATOM 0 HB3 TYR A 95 -15.801 2.632 -6.744 1.00 29.97 H new ATOM 0 HD1 TYR A 95 -18.113 2.045 -7.529 1.00 39.72 H new ATOM 0 HD2 TYR A 95 -17.032 5.877 -6.982 1.00 40.32 H new ATOM 0 HE1 TYR A 95 -20.004 2.724 -8.702 1.00 46.59 H new ATOM 0 HE2 TYR A 95 -18.909 6.583 -8.153 1.00 45.49 H new ATOM 0 HH TYR A 95 -20.774 5.996 -9.281 1.00 50.98 H new ATOM 714 N GLY A 96 -15.521 2.404 -2.795 1.00 29.02 N ATOM 715 CA GLY A 96 -14.549 1.819 -1.861 1.00 28.32 C ATOM 716 C GLY A 96 -13.452 2.755 -1.344 1.00 28.68 C ATOM 717 O GLY A 96 -12.540 2.320 -0.642 1.00 27.70 O ATOM 0 H GLY A 96 -16.250 2.648 -2.410 1.00 29.02 H new ATOM 0 HA2 GLY A 96 -15.034 1.468 -1.098 1.00 28.32 H new ATOM 0 HA3 GLY A 96 -14.124 1.064 -2.298 1.00 28.32 H new ATOM 718 N LYS A 97 -13.521 4.040 -1.702 1.00 26.37 N ATOM 719 CA LYS A 97 -12.438 4.959 -1.378 1.00 27.94 C ATOM 720 C LYS A 97 -13.026 6.185 -0.715 1.00 25.11 C ATOM 721 O LYS A 97 -14.231 6.481 -0.903 1.00 26.26 O ATOM 722 CB LYS A 97 -11.711 5.399 -2.650 1.00 32.17 C ATOM 723 CG LYS A 97 -10.881 4.328 -3.322 1.00 35.06 C ATOM 724 CD LYS A 97 -9.796 3.827 -2.392 1.00 40.40 C ATOM 725 CE LYS A 97 -8.647 3.279 -3.229 1.00 52.20 C ATOM 726 NZ LYS A 97 -7.529 2.763 -2.383 1.00 53.31 N ATOM 0 H LYS A 97 -14.180 4.392 -2.128 1.00 26.37 H new ATOM 0 HA LYS A 97 -11.810 4.512 -0.789 1.00 27.94 H new ATOM 0 HB2 LYS A 97 -12.368 5.724 -3.285 1.00 32.17 H new ATOM 0 HB3 LYS A 97 -11.133 6.147 -2.432 1.00 32.17 H new ATOM 0 HG2 LYS A 97 -11.451 3.590 -3.588 1.00 35.06 H new ATOM 0 HG3 LYS A 97 -10.481 4.683 -4.131 1.00 35.06 H new ATOM 0 HD2 LYS A 97 -9.483 4.547 -1.822 1.00 40.40 H new ATOM 0 HD3 LYS A 97 -10.146 3.136 -1.809 1.00 40.40 H new ATOM 0 HE2 LYS A 97 -8.975 2.566 -3.799 1.00 52.20 H new ATOM 0 HE3 LYS A 97 -8.313 3.977 -3.813 1.00 52.20 H new ATOM 0 HZ1 LYS A 97 -6.879 2.453 -2.906 1.00 53.31 H new ATOM 0 HZ2 LYS A 97 -7.212 3.422 -1.876 1.00 53.31 H new ATOM 0 HZ3 LYS A 97 -7.829 2.107 -1.862 1.00 53.31 H new ATOM 727 N ASP A 98 -12.183 6.868 0.058 1.00 22.01 N ATOM 728 CA ASP A 98 -12.529 8.186 0.696 1.00 20.50 C ATOM 729 C ASP A 98 -11.612 9.211 0.010 1.00 20.00 C ATOM 730 O ASP A 98 -10.465 8.897 -0.290 1.00 21.40 O ATOM 731 CB ASP A 98 -12.150 8.252 2.192 1.00 20.36 C ATOM 732 CG ASP A 98 -13.129 7.535 3.137 1.00 24.84 C ATOM 733 OD1 ASP A 98 -14.143 6.953 2.692 1.00 24.15 O ATOM 734 OD2 ASP A 98 -12.878 7.585 4.391 1.00 21.23 O ATOM 0 H ASP A 98 -11.388 6.596 0.240 1.00 22.01 H new ATOM 0 HA ASP A 98 -13.484 8.334 0.609 1.00 20.50 H new ATOM 0 HB2 ASP A 98 -11.268 7.865 2.307 1.00 20.36 H new ATOM 0 HB3 ASP A 98 -12.088 9.183 2.456 1.00 20.36 H new ATOM 735 N TYR A 99 -12.131 10.420 -0.246 1.00 19.74 N ATOM 736 CA TYR A 99 -11.310 11.456 -0.919 1.00 20.17 C ATOM 737 C TYR A 99 -11.304 12.679 -0.048 1.00 18.75 C ATOM 738 O TYR A 99 -12.397 13.180 0.274 1.00 18.42 O ATOM 739 CB TYR A 99 -11.912 11.789 -2.270 1.00 24.32 C ATOM 740 CG TYR A 99 -11.771 10.635 -3.237 1.00 25.23 C ATOM 741 CD1 TYR A 99 -10.602 10.454 -3.938 1.00 27.86 C ATOM 742 CD2 TYR A 99 -12.794 9.705 -3.387 1.00 28.41 C ATOM 743 CE1 TYR A 99 -10.437 9.360 -4.791 1.00 32.07 C ATOM 744 CE2 TYR A 99 -12.656 8.614 -4.235 1.00 26.45 C ATOM 745 CZ TYR A 99 -11.492 8.457 -4.937 1.00 32.50 C ATOM 746 OH TYR A 99 -11.349 7.399 -5.791 1.00 32.15 O ATOM 0 H TYR A 99 -12.932 10.661 -0.047 1.00 19.74 H new ATOM 0 HA TYR A 99 -10.405 11.135 -1.055 1.00 20.17 H new ATOM 0 HB2 TYR A 99 -12.850 12.010 -2.162 1.00 24.32 H new ATOM 0 HB3 TYR A 99 -11.476 12.575 -2.636 1.00 24.32 H new ATOM 0 HD1 TYR A 99 -9.911 11.069 -3.843 1.00 27.86 H new ATOM 0 HD2 TYR A 99 -13.585 9.816 -2.911 1.00 28.41 H new ATOM 0 HE1 TYR A 99 -9.639 9.235 -5.253 1.00 32.07 H new ATOM 0 HE2 TYR A 99 -13.346 7.997 -4.325 1.00 26.45 H new ATOM 0 HH TYR A 99 -12.050 6.937 -5.785 1.00 32.15 H new ATOM 747 N ILE A 100 -10.111 13.121 0.354 1.00 17.49 N ATOM 748 CA ILE A 100 -10.019 14.352 1.230 1.00 16.97 C ATOM 749 C ILE A 100 -9.152 15.471 0.572 1.00 18.46 C ATOM 750 O ILE A 100 -8.225 15.178 -0.246 1.00 16.73 O ATOM 751 CB ILE A 100 -9.521 14.001 2.699 1.00 18.51 C ATOM 752 CG1 ILE A 100 -8.053 13.535 2.695 1.00 18.77 C ATOM 753 CG2 ILE A 100 -10.458 12.943 3.321 1.00 16.07 C ATOM 754 CD1 ILE A 100 -7.383 13.565 4.064 1.00 21.43 C ATOM 0 H ILE A 100 -9.358 12.756 0.153 1.00 17.49 H new ATOM 0 HA ILE A 100 -10.918 14.705 1.315 1.00 16.97 H new ATOM 0 HB ILE A 100 -9.556 14.802 3.245 1.00 18.51 H new ATOM 0 HG12 ILE A 100 -8.012 12.631 2.346 1.00 18.77 H new ATOM 0 HG13 ILE A 100 -7.548 14.097 2.087 1.00 18.77 H new ATOM 0 HG21 ILE A 100 -10.155 12.729 4.217 1.00 16.07 H new ATOM 0 HG22 ILE A 100 -11.361 13.294 3.361 1.00 16.07 H new ATOM 0 HG23 ILE A 100 -10.447 12.141 2.776 1.00 16.07 H new ATOM 0 HD11 ILE A 100 -6.466 13.260 3.982 1.00 21.43 H new ATOM 0 HD12 ILE A 100 -7.392 14.471 4.409 1.00 21.43 H new ATOM 0 HD13 ILE A 100 -7.864 12.983 4.673 1.00 21.43 H new ATOM 755 N ASP A 101 -9.418 16.742 0.909 1.00 16.01 N ATOM 756 CA ASP A 101 -8.522 17.782 0.419 1.00 14.62 C ATOM 757 C ASP A 101 -8.723 19.006 1.310 1.00 14.27 C ATOM 758 O ASP A 101 -9.717 19.059 2.099 1.00 12.65 O ATOM 759 CB ASP A 101 -8.818 18.156 -1.074 1.00 15.62 C ATOM 760 CG ASP A 101 -10.178 18.863 -1.243 1.00 16.98 C ATOM 761 OD1 ASP A 101 -10.377 20.078 -0.982 1.00 16.37 O ATOM 762 OD2 ASP A 101 -11.134 18.187 -1.684 1.00 16.99 O ATOM 0 H ASP A 101 -10.077 17.007 1.394 1.00 16.01 H new ATOM 0 HA ASP A 101 -7.607 17.462 0.451 1.00 14.62 H new ATOM 0 HB2 ASP A 101 -8.113 18.733 -1.406 1.00 15.62 H new ATOM 0 HB3 ASP A 101 -8.805 17.351 -1.615 1.00 15.62 H new ATOM 763 N ILE A 102 -7.775 19.945 1.187 1.00 14.45 N ATOM 764 CA ILE A 102 -7.995 21.270 1.797 1.00 13.48 C ATOM 765 C ILE A 102 -8.131 22.186 0.598 1.00 14.72 C ATOM 766 O ILE A 102 -7.437 21.954 -0.436 1.00 13.73 O ATOM 767 CB ILE A 102 -6.820 21.653 2.688 1.00 14.63 C ATOM 768 CG1 ILE A 102 -6.967 20.820 3.988 1.00 15.54 C ATOM 769 CG2 ILE A 102 -6.867 23.167 3.064 1.00 18.61 C ATOM 770 CD1 ILE A 102 -5.825 21.127 4.957 1.00 19.75 C ATOM 0 H ILE A 102 -7.028 19.845 0.773 1.00 14.45 H new ATOM 0 HA ILE A 102 -8.772 21.309 2.377 1.00 13.48 H new ATOM 0 HB ILE A 102 -5.984 21.484 2.227 1.00 14.63 H new ATOM 0 HG12 ILE A 102 -7.818 21.018 4.410 1.00 15.54 H new ATOM 0 HG13 ILE A 102 -6.970 19.874 3.773 1.00 15.54 H new ATOM 0 HG21 ILE A 102 -6.110 23.384 3.630 1.00 18.61 H new ATOM 0 HG22 ILE A 102 -6.830 23.703 2.256 1.00 18.61 H new ATOM 0 HG23 ILE A 102 -7.691 23.357 3.540 1.00 18.61 H new ATOM 0 HD11 ILE A 102 -5.933 20.598 5.763 1.00 19.75 H new ATOM 0 HD12 ILE A 102 -4.978 20.908 4.539 1.00 19.75 H new ATOM 0 HD13 ILE A 102 -5.839 22.070 5.185 1.00 19.75 H new ATOM 771 N SER A 103 -9.020 23.179 0.721 1.00 12.99 N ATOM 772 CA SER A 103 -9.244 24.124 -0.351 1.00 13.99 C ATOM 773 C SER A 103 -9.154 25.575 0.167 1.00 13.91 C ATOM 774 O SER A 103 -9.670 25.873 1.235 1.00 15.12 O ATOM 775 CB SER A 103 -10.646 23.874 -0.942 1.00 14.44 C ATOM 776 OG SER A 103 -10.974 24.863 -1.904 1.00 14.47 O ATOM 0 H SER A 103 -9.499 23.314 1.423 1.00 12.99 H new ATOM 0 HA SER A 103 -8.562 24.002 -1.030 1.00 13.99 H new ATOM 0 HB2 SER A 103 -10.676 22.996 -1.353 1.00 14.44 H new ATOM 0 HB3 SER A 103 -11.306 23.878 -0.231 1.00 14.44 H new ATOM 0 HG SER A 103 -11.658 24.624 -2.330 1.00 14.47 H new ATOM 777 N ASN A 104 -8.515 26.426 -0.643 1.00 13.08 N ATOM 778 CA ASN A 104 -8.499 27.898 -0.553 1.00 13.47 C ATOM 779 C ASN A 104 -9.362 28.570 -1.627 1.00 13.53 C ATOM 780 O ASN A 104 -9.311 29.828 -1.822 1.00 11.52 O ATOM 781 CB ASN A 104 -7.043 28.417 -0.677 1.00 13.58 C ATOM 782 CG ASN A 104 -6.218 28.100 0.573 1.00 16.12 C ATOM 783 OD1 ASN A 104 -5.046 27.732 0.450 1.00 16.50 O ATOM 784 ND2 ASN A 104 -6.825 28.202 1.762 1.00 13.67 N ATOM 0 H ASN A 104 -8.047 26.142 -1.306 1.00 13.08 H new ATOM 0 HA ASN A 104 -8.874 28.129 0.311 1.00 13.47 H new ATOM 0 HB2 ASN A 104 -6.622 28.016 -1.453 1.00 13.58 H new ATOM 0 HB3 ASN A 104 -7.053 29.376 -0.824 1.00 13.58 H new ATOM 0 HD21 ASN A 104 -6.396 28.007 2.482 1.00 13.67 H new ATOM 0 HD22 ASN A 104 -7.643 28.462 1.806 1.00 13.67 H new ATOM 785 N ILE A 105 -10.223 27.773 -2.267 1.00 13.12 N ATOM 786 CA ILE A 105 -11.042 28.314 -3.391 1.00 14.52 C ATOM 787 C ILE A 105 -12.054 29.321 -2.868 1.00 15.10 C ATOM 788 O ILE A 105 -12.450 30.233 -3.639 1.00 14.68 O ATOM 789 CB ILE A 105 -11.764 27.155 -4.179 1.00 15.83 C ATOM 790 CG1 ILE A 105 -10.692 26.415 -4.966 1.00 15.61 C ATOM 791 CG2 ILE A 105 -12.899 27.645 -5.105 1.00 17.67 C ATOM 792 CD1 ILE A 105 -11.165 25.020 -5.422 1.00 16.80 C ATOM 0 H ILE A 105 -10.354 26.943 -2.084 1.00 13.12 H new ATOM 0 HA ILE A 105 -10.447 28.765 -4.010 1.00 14.52 H new ATOM 0 HB ILE A 105 -12.205 26.571 -3.543 1.00 15.83 H new ATOM 0 HG12 ILE A 105 -10.442 26.940 -5.742 1.00 15.61 H new ATOM 0 HG13 ILE A 105 -9.897 26.322 -4.418 1.00 15.61 H new ATOM 0 HG21 ILE A 105 -13.299 26.886 -5.557 1.00 17.67 H new ATOM 0 HG22 ILE A 105 -13.575 28.099 -4.577 1.00 17.67 H new ATOM 0 HG23 ILE A 105 -12.538 28.259 -5.763 1.00 17.67 H new ATOM 0 HD11 ILE A 105 -10.455 24.584 -5.918 1.00 16.80 H new ATOM 0 HD12 ILE A 105 -11.392 24.485 -4.645 1.00 16.80 H new ATOM 0 HD13 ILE A 105 -11.946 25.113 -5.990 1.00 16.80 H new ATOM 793 N LYS A 106 -12.438 29.204 -1.581 1.00 13.16 N ATOM 794 CA LYS A 106 -13.304 30.213 -0.936 1.00 13.87 C ATOM 795 C LYS A 106 -12.516 31.009 0.100 1.00 13.28 C ATOM 796 O LYS A 106 -13.115 31.523 1.106 1.00 14.27 O ATOM 797 CB LYS A 106 -14.539 29.531 -0.279 1.00 14.37 C ATOM 798 CG LYS A 106 -15.292 28.591 -1.226 1.00 20.13 C ATOM 799 CD LYS A 106 -16.395 29.421 -1.820 1.00 26.29 C ATOM 800 CE LYS A 106 -17.209 28.730 -2.889 1.00 27.91 C ATOM 801 NZ LYS A 106 -17.609 29.901 -3.743 1.00 33.48 N ATOM 0 H LYS A 106 -12.209 28.552 -1.069 1.00 13.16 H new ATOM 0 HA LYS A 106 -13.620 30.827 -1.617 1.00 13.87 H new ATOM 0 HB2 LYS A 106 -14.247 29.030 0.499 1.00 14.37 H new ATOM 0 HB3 LYS A 106 -15.148 30.216 0.037 1.00 14.37 H new ATOM 0 HG2 LYS A 106 -14.704 28.246 -1.916 1.00 20.13 H new ATOM 0 HG3 LYS A 106 -15.649 27.826 -0.748 1.00 20.13 H new ATOM 0 HD2 LYS A 106 -16.992 29.699 -1.108 1.00 26.29 H new ATOM 0 HD3 LYS A 106 -16.008 30.227 -2.197 1.00 26.29 H new ATOM 0 HE2 LYS A 106 -16.689 28.076 -3.382 1.00 27.91 H new ATOM 0 HE3 LYS A 106 -17.976 28.263 -2.522 1.00 27.91 H new ATOM 0 HZ1 LYS A 106 -18.164 29.627 -4.382 1.00 33.48 H new ATOM 0 HZ2 LYS A 106 -18.016 30.511 -3.239 1.00 33.48 H new ATOM 0 HZ3 LYS A 106 -16.884 30.259 -4.114 1.00 33.48 H new ATOM 802 N GLY A 107 -11.218 31.166 -0.151 1.00 13.48 N ATOM 803 CA GLY A 107 -10.378 32.065 0.692 1.00 13.26 C ATOM 804 C GLY A 107 -9.841 31.317 1.910 1.00 14.98 C ATOM 805 O GLY A 107 -9.964 30.087 2.018 1.00 15.41 O ATOM 0 H GLY A 107 -10.797 30.774 -0.790 1.00 13.48 H new ATOM 0 HA2 GLY A 107 -9.639 32.411 0.167 1.00 13.26 H new ATOM 0 HA3 GLY A 107 -10.902 32.828 0.981 1.00 13.26 H new ATOM 806 N PHE A 108 -9.278 32.057 2.822 1.00 13.82 N ATOM 807 CA PHE A 108 -8.599 31.503 3.997 1.00 15.22 C ATOM 808 C PHE A 108 -8.946 32.315 5.219 1.00 14.76 C ATOM 809 O PHE A 108 -8.942 33.550 5.233 1.00 15.76 O ATOM 810 CB PHE A 108 -7.067 31.526 3.716 1.00 15.95 C ATOM 811 CG PHE A 108 -6.181 31.081 4.855 1.00 13.73 C ATOM 812 CD1 PHE A 108 -5.874 31.960 5.912 1.00 13.31 C ATOM 813 CD2 PHE A 108 -5.619 29.793 4.835 1.00 15.59 C ATOM 814 CE1 PHE A 108 -5.032 31.523 6.962 1.00 15.00 C ATOM 815 CE2 PHE A 108 -4.754 29.338 5.867 1.00 14.91 C ATOM 816 CZ PHE A 108 -4.484 30.206 6.943 1.00 14.18 C ATOM 0 H PHE A 108 -9.270 32.916 2.791 1.00 13.82 H new ATOM 0 HA PHE A 108 -8.883 30.591 4.165 1.00 15.22 H new ATOM 0 HB2 PHE A 108 -6.888 30.959 2.949 1.00 15.95 H new ATOM 0 HB3 PHE A 108 -6.815 32.429 3.467 1.00 15.95 H new ATOM 0 HD1 PHE A 108 -6.223 32.822 5.920 1.00 13.31 H new ATOM 0 HD2 PHE A 108 -5.818 29.223 4.128 1.00 15.59 H new ATOM 0 HE1 PHE A 108 -4.835 32.097 7.667 1.00 15.00 H new ATOM 0 HE2 PHE A 108 -4.376 28.489 5.833 1.00 14.91 H new ATOM 0 HZ PHE A 108 -3.946 29.919 7.645 1.00 14.18 H new ATOM 817 N ASN A 109 -9.226 31.634 6.327 1.00 14.71 N ATOM 818 CA ASN A 109 -9.399 32.394 7.565 1.00 13.09 C ATOM 819 C ASN A 109 -8.512 31.861 8.692 1.00 15.38 C ATOM 820 O ASN A 109 -7.844 32.638 9.372 1.00 13.68 O ATOM 821 CB ASN A 109 -10.909 32.525 7.953 1.00 14.08 C ATOM 822 CG ASN A 109 -11.607 31.166 8.262 1.00 14.09 C ATOM 823 OD1 ASN A 109 -11.087 30.051 7.764 1.00 16.30 O flip ATOM 824 ND2 ASN A 109 -12.592 31.157 9.024 1.00 11.45 N flip ATOM 0 H ASN A 109 -9.316 30.781 6.387 1.00 14.71 H new ATOM 0 HA ASN A 109 -9.090 33.300 7.405 1.00 13.09 H new ATOM 0 HB2 ASN A 109 -10.984 33.100 8.730 1.00 14.08 H new ATOM 0 HB3 ASN A 109 -11.382 32.963 7.229 1.00 14.08 H new ATOM 0 HD21 ASN A 109 -12.906 31.897 9.330 1.00 11.45 H new ATOM 0 HD22 ASN A 109 -12.959 30.411 9.244 1.00 11.45 H new ATOM 825 N VAL A 110 -8.406 30.544 8.809 1.00 13.23 N ATOM 826 CA VAL A 110 -7.719 29.935 9.947 1.00 15.96 C ATOM 827 C VAL A 110 -6.831 28.829 9.363 1.00 14.89 C ATOM 828 O VAL A 110 -7.318 28.067 8.515 1.00 14.10 O ATOM 829 CB VAL A 110 -8.782 29.296 10.865 1.00 17.88 C ATOM 830 CG1 VAL A 110 -8.156 28.491 11.943 1.00 17.82 C ATOM 831 CG2 VAL A 110 -9.684 30.398 11.472 1.00 16.86 C ATOM 0 H VAL A 110 -8.724 29.982 8.241 1.00 13.23 H new ATOM 0 HA VAL A 110 -7.199 30.579 10.453 1.00 15.96 H new ATOM 0 HB VAL A 110 -9.324 28.697 10.328 1.00 17.88 H new ATOM 0 HG11 VAL A 110 -8.848 28.104 12.501 1.00 17.82 H new ATOM 0 HG12 VAL A 110 -7.624 27.782 11.550 1.00 17.82 H new ATOM 0 HG13 VAL A 110 -7.586 29.061 12.483 1.00 17.82 H new ATOM 0 HG21 VAL A 110 -10.350 29.991 12.048 1.00 16.86 H new ATOM 0 HG22 VAL A 110 -9.141 31.012 11.991 1.00 16.86 H new ATOM 0 HG23 VAL A 110 -10.127 30.883 10.758 1.00 16.86 H new ATOM 832 N PRO A 111 -5.574 28.694 9.835 1.00 15.50 N ATOM 833 CA PRO A 111 -4.770 27.570 9.346 1.00 14.29 C ATOM 834 C PRO A 111 -5.345 26.209 9.833 1.00 15.18 C ATOM 835 O PRO A 111 -6.029 26.134 10.866 1.00 14.57 O ATOM 836 CB PRO A 111 -3.376 27.852 9.904 1.00 13.63 C ATOM 837 CG PRO A 111 -3.570 28.762 11.040 1.00 15.91 C ATOM 838 CD PRO A 111 -4.831 29.515 10.841 1.00 15.93 C ATOM 0 HA PRO A 111 -4.765 27.497 8.379 1.00 14.29 H new ATOM 0 HB2 PRO A 111 -2.943 27.031 10.187 1.00 13.63 H new ATOM 0 HB3 PRO A 111 -2.807 28.255 9.230 1.00 13.63 H new ATOM 0 HG2 PRO A 111 -3.606 28.260 11.869 1.00 15.91 H new ATOM 0 HG3 PRO A 111 -2.821 29.374 11.111 1.00 15.91 H new ATOM 0 HD2 PRO A 111 -5.329 29.602 11.669 1.00 15.93 H new ATOM 0 HD3 PRO A 111 -4.663 30.413 10.515 1.00 15.93 H new ATOM 839 N MET A 112 -5.032 25.154 9.061 1.00 15.47 N ATOM 840 CA MET A 112 -5.688 23.831 9.243 1.00 16.20 C ATOM 841 C MET A 112 -4.796 22.679 8.815 1.00 16.18 C ATOM 842 O MET A 112 -4.062 22.783 7.811 1.00 15.86 O ATOM 843 CB MET A 112 -6.994 23.843 8.379 1.00 18.96 C ATOM 844 CG MET A 112 -7.685 22.538 8.171 1.00 27.84 C ATOM 845 SD MET A 112 -9.006 22.836 6.980 1.00 26.07 S ATOM 846 CE MET A 112 -10.124 23.884 7.950 1.00 20.69 C ATOM 0 H MET A 112 -4.448 25.177 8.430 1.00 15.47 H new ATOM 0 HA MET A 112 -5.879 23.695 10.184 1.00 16.20 H new ATOM 0 HB2 MET A 112 -7.623 24.454 8.794 1.00 18.96 H new ATOM 0 HB3 MET A 112 -6.775 24.209 7.508 1.00 18.96 H new ATOM 0 HG2 MET A 112 -7.066 21.869 7.839 1.00 27.84 H new ATOM 0 HG3 MET A 112 -8.044 22.201 9.007 1.00 27.84 H new ATOM 0 HE1 MET A 112 -11.029 23.542 7.882 1.00 20.69 H new ATOM 0 HE2 MET A 112 -9.846 23.880 8.879 1.00 20.69 H new ATOM 0 HE3 MET A 112 -10.096 24.791 7.608 1.00 20.69 H new ATOM 847 N ASN A 113 -4.861 21.556 9.557 1.00 15.82 N ATOM 848 CA ASN A 113 -4.252 20.317 9.154 1.00 15.12 C ATOM 849 C ASN A 113 -5.487 19.344 9.080 1.00 16.29 C ATOM 850 O ASN A 113 -6.371 19.356 9.968 1.00 15.04 O ATOM 851 CB ASN A 113 -3.277 19.823 10.235 1.00 15.97 C ATOM 852 CG ASN A 113 -2.725 18.443 9.918 1.00 17.86 C ATOM 853 OD1 ASN A 113 -1.699 18.345 9.343 1.00 17.65 O ATOM 854 ND2 ASN A 113 -3.492 17.400 10.179 1.00 18.03 N ATOM 0 H ASN A 113 -5.269 21.513 10.313 1.00 15.82 H new ATOM 0 HA ASN A 113 -3.746 20.386 8.329 1.00 15.12 H new ATOM 0 HB2 ASN A 113 -2.543 20.452 10.319 1.00 15.97 H new ATOM 0 HB3 ASN A 113 -3.731 19.800 11.092 1.00 15.97 H new ATOM 0 HD21 ASN A 113 -3.249 16.614 9.928 1.00 18.03 H new ATOM 0 HD22 ASN A 113 -4.234 17.507 10.600 1.00 18.03 H new ATOM 855 N PHE A 114 -5.526 18.530 8.038 1.00 13.98 N ATOM 856 CA PHE A 114 -6.583 17.520 7.832 1.00 15.04 C ATOM 857 C PHE A 114 -5.920 16.141 7.571 1.00 14.97 C ATOM 858 O PHE A 114 -5.298 15.903 6.521 1.00 15.19 O ATOM 859 CB PHE A 114 -7.451 18.006 6.663 1.00 13.96 C ATOM 860 CG PHE A 114 -8.675 17.153 6.366 1.00 15.28 C ATOM 861 CD1 PHE A 114 -9.164 16.117 7.257 1.00 15.48 C ATOM 862 CD2 PHE A 114 -9.355 17.397 5.159 1.00 14.49 C ATOM 863 CE1 PHE A 114 -10.341 15.392 6.920 1.00 17.50 C ATOM 864 CE2 PHE A 114 -10.506 16.674 4.817 1.00 16.15 C ATOM 865 CZ PHE A 114 -11.015 15.689 5.704 1.00 15.64 C ATOM 0 H PHE A 114 -4.935 18.540 7.414 1.00 13.98 H new ATOM 0 HA PHE A 114 -7.152 17.409 8.610 1.00 15.04 H new ATOM 0 HB2 PHE A 114 -7.744 18.912 6.851 1.00 13.96 H new ATOM 0 HB3 PHE A 114 -6.901 18.046 5.865 1.00 13.96 H new ATOM 0 HD1 PHE A 114 -8.709 15.928 8.046 1.00 15.48 H new ATOM 0 HD2 PHE A 114 -9.035 18.049 4.578 1.00 14.49 H new ATOM 0 HE1 PHE A 114 -10.666 14.732 7.489 1.00 17.50 H new ATOM 0 HE2 PHE A 114 -10.936 16.839 4.009 1.00 16.15 H new ATOM 0 HZ PHE A 114 -11.797 15.234 5.487 1.00 15.64 H new ATOM 866 N SER A 115 -5.937 15.274 8.588 1.00 14.48 N ATOM 867 CA SER A 115 -5.145 14.021 8.551 1.00 14.98 C ATOM 868 C SER A 115 -6.027 12.805 8.946 1.00 17.09 C ATOM 869 O SER A 115 -6.954 12.952 9.763 1.00 16.91 O ATOM 870 CB SER A 115 -4.006 14.123 9.567 1.00 17.84 C ATOM 871 OG SER A 115 -3.019 14.985 9.013 1.00 20.69 O ATOM 0 H SER A 115 -6.395 15.385 9.307 1.00 14.48 H new ATOM 0 HA SER A 115 -4.804 13.898 7.651 1.00 14.98 H new ATOM 0 HB2 SER A 115 -4.331 14.474 10.411 1.00 17.84 H new ATOM 0 HB3 SER A 115 -3.631 13.247 9.749 1.00 17.84 H new ATOM 0 HG SER A 115 -2.324 14.955 9.484 1.00 20.69 H new ATOM 872 N PRO A 116 -5.734 11.600 8.374 1.00 16.81 N ATOM 873 CA PRO A 116 -6.400 10.371 8.783 1.00 17.14 C ATOM 874 C PRO A 116 -5.926 10.032 10.185 1.00 19.20 C ATOM 875 O PRO A 116 -4.797 10.380 10.566 1.00 20.46 O ATOM 876 CB PRO A 116 -5.900 9.335 7.781 1.00 18.49 C ATOM 877 CG PRO A 116 -4.648 9.955 7.174 1.00 18.78 C ATOM 878 CD PRO A 116 -4.929 11.418 7.156 1.00 16.83 C ATOM 0 HA PRO A 116 -7.369 10.423 8.796 1.00 17.14 H new ATOM 0 HB2 PRO A 116 -5.700 8.492 8.217 1.00 18.49 H new ATOM 0 HB3 PRO A 116 -6.567 9.152 7.101 1.00 18.49 H new ATOM 0 HG2 PRO A 116 -3.861 9.753 7.704 1.00 18.78 H new ATOM 0 HG3 PRO A 116 -4.483 9.616 6.280 1.00 18.78 H new ATOM 0 HD2 PRO A 116 -4.114 11.943 7.180 1.00 16.83 H new ATOM 0 HD3 PRO A 116 -5.414 11.683 6.359 1.00 16.83 H new ATOM 879 N THR A 117 -6.803 9.451 10.983 1.00 22.47 N ATOM 880 CA THR A 117 -6.340 8.858 12.258 1.00 24.22 C ATOM 881 C THR A 117 -6.218 7.373 12.129 1.00 28.30 C ATOM 882 O THR A 117 -5.727 6.732 13.053 1.00 27.94 O ATOM 883 CB THR A 117 -7.251 9.150 13.418 1.00 23.72 C ATOM 884 OG1 THR A 117 -8.544 8.753 13.055 1.00 25.11 O ATOM 885 CG2 THR A 117 -7.194 10.683 13.815 1.00 22.56 C ATOM 0 H THR A 117 -7.646 9.382 10.827 1.00 22.47 H new ATOM 0 HA THR A 117 -5.479 9.267 12.439 1.00 24.22 H new ATOM 0 HB THR A 117 -6.968 8.657 14.204 1.00 23.72 H new ATOM 0 HG1 THR A 117 -9.073 8.905 13.690 1.00 25.11 H new ATOM 0 HG21 THR A 117 -7.789 10.846 14.564 1.00 22.56 H new ATOM 0 HG22 THR A 117 -6.287 10.919 14.066 1.00 22.56 H new ATOM 0 HG23 THR A 117 -7.471 11.224 13.059 1.00 22.56 H new ATOM 886 N THR A 118 -6.600 6.853 10.965 1.00 26.74 N ATOM 887 CA THR A 118 -6.472 5.422 10.638 1.00 31.46 C ATOM 888 C THR A 118 -5.359 5.257 9.598 1.00 32.22 C ATOM 889 O THR A 118 -4.781 6.243 9.102 1.00 31.08 O ATOM 890 CB THR A 118 -7.814 4.829 10.154 1.00 28.02 C ATOM 891 OG1 THR A 118 -8.388 5.661 9.130 1.00 29.95 O ATOM 892 CG2 THR A 118 -8.847 4.707 11.297 1.00 28.42 C ATOM 0 H THR A 118 -6.945 7.322 10.332 1.00 26.74 H new ATOM 0 HA THR A 118 -6.235 4.925 11.436 1.00 31.46 H new ATOM 0 HB THR A 118 -7.615 3.943 9.812 1.00 28.02 H new ATOM 0 HG1 THR A 118 -8.601 5.187 8.470 1.00 29.95 H new ATOM 0 HG21 THR A 118 -9.671 4.332 10.950 1.00 28.42 H new ATOM 0 HG22 THR A 118 -8.495 4.127 11.991 1.00 28.42 H new ATOM 0 HG23 THR A 118 -9.024 5.585 11.669 1.00 28.42 H new ATOM 893 N ARG A 119 -5.011 4.015 9.288 1.00 37.20 N ATOM 894 CA ARG A 119 -3.855 3.755 8.410 1.00 45.18 C ATOM 895 C ARG A 119 -4.157 3.908 6.891 1.00 44.88 C ATOM 896 O ARG A 119 -5.318 3.715 6.459 1.00 47.58 O ATOM 897 CB ARG A 119 -3.232 2.365 8.718 1.00 61.39 C ATOM 898 CG ARG A 119 -4.142 1.376 9.480 1.00 74.91 C ATOM 899 CD ARG A 119 -3.671 -0.093 9.481 1.00 89.38 C ATOM 900 NE ARG A 119 -2.214 -0.317 9.368 1.00 99.94 N ATOM 901 CZ ARG A 119 -1.295 -0.057 10.310 1.00105.90 C ATOM 902 NH1 ARG A 119 -1.633 0.477 11.481 1.00111.25 N ATOM 903 NH2 ARG A 119 -0.014 -0.312 10.069 1.00 97.54 N ATOM 0 H ARG A 119 -5.419 3.311 9.567 1.00 37.20 H new ATOM 0 HA ARG A 119 -3.209 4.449 8.614 1.00 45.18 H new ATOM 0 HB2 ARG A 119 -2.967 1.955 7.880 1.00 61.39 H new ATOM 0 HB3 ARG A 119 -2.423 2.499 9.236 1.00 61.39 H new ATOM 0 HG2 ARG A 119 -4.220 1.675 10.399 1.00 74.91 H new ATOM 0 HG3 ARG A 119 -5.031 1.414 9.093 1.00 74.91 H new ATOM 0 HD2 ARG A 119 -3.980 -0.511 10.300 1.00 89.38 H new ATOM 0 HD3 ARG A 119 -4.107 -0.552 8.746 1.00 89.38 H new ATOM 0 HE ARG A 119 -1.928 -0.646 8.627 1.00 99.94 H new ATOM 0 HH11 ARG A 119 -2.456 0.663 11.647 1.00111.25 H new ATOM 0 HH12 ARG A 119 -1.028 0.636 12.072 1.00111.25 H new ATOM 0 HH21 ARG A 119 0.224 -0.642 9.311 1.00 97.54 H new ATOM 0 HH22 ARG A 119 0.578 -0.147 10.671 1.00 97.54 H new ATOM 904 N GLY A 120 -3.126 4.246 6.094 1.00 36.27 N ATOM 905 CA GLY A 120 -3.170 3.987 4.662 1.00 34.24 C ATOM 906 C GLY A 120 -3.188 5.154 3.696 1.00 31.68 C ATOM 907 O GLY A 120 -3.367 4.948 2.505 1.00 30.15 O ATOM 0 H GLY A 120 -2.403 4.622 6.370 1.00 36.27 H new ATOM 0 HA2 GLY A 120 -2.401 3.438 4.442 1.00 34.24 H new ATOM 0 HA3 GLY A 120 -3.960 3.452 4.487 1.00 34.24 H new ATOM 908 N CYS A 121 -3.034 6.378 4.208 1.00 30.95 N ATOM 909 CA CYS A 121 -2.872 7.577 3.362 1.00 29.95 C ATOM 910 C CYS A 121 -2.221 8.655 4.257 1.00 32.54 C ATOM 911 O CYS A 121 -2.027 8.435 5.461 1.00 33.13 O ATOM 912 CB CYS A 121 -4.228 8.037 2.815 1.00 26.41 C ATOM 913 SG CYS A 121 -5.451 8.251 4.139 1.00 26.83 S ATOM 0 H CYS A 121 -3.020 6.541 5.052 1.00 30.95 H new ATOM 0 HA CYS A 121 -2.315 7.396 2.589 1.00 29.95 H new ATOM 0 HB2 CYS A 121 -4.117 8.875 2.338 1.00 26.41 H new ATOM 0 HB3 CYS A 121 -4.556 7.387 2.174 1.00 26.41 H new ATOM 914 N ARG A 122 -1.910 9.802 3.693 1.00 27.60 N ATOM 915 CA ARG A 122 -1.333 10.869 4.467 1.00 31.77 C ATOM 916 C ARG A 122 -2.307 12.060 4.556 1.00 25.77 C ATOM 917 O ARG A 122 -3.335 12.097 3.876 1.00 27.09 O ATOM 918 CB ARG A 122 0.055 11.295 3.932 1.00 36.69 C ATOM 919 CG ARG A 122 0.239 11.285 2.424 1.00 43.49 C ATOM 920 CD ARG A 122 -0.619 12.280 1.662 1.00 50.80 C ATOM 921 NE ARG A 122 0.013 13.600 1.515 1.00 68.54 N ATOM 922 CZ ARG A 122 0.155 14.267 0.361 1.00 75.04 C ATOM 923 NH1 ARG A 122 -0.273 13.745 -0.785 1.00 74.31 N ATOM 924 NH2 ARG A 122 0.717 15.474 0.350 1.00 68.15 N ATOM 0 H ARG A 122 -2.026 9.982 2.860 1.00 27.60 H new ATOM 0 HA ARG A 122 -1.185 10.535 5.366 1.00 31.77 H new ATOM 0 HB2 ARG A 122 0.241 12.191 4.254 1.00 36.69 H new ATOM 0 HB3 ARG A 122 0.722 10.709 4.322 1.00 36.69 H new ATOM 0 HG2 ARG A 122 1.171 11.464 2.225 1.00 43.49 H new ATOM 0 HG3 ARG A 122 0.045 10.393 2.095 1.00 43.49 H new ATOM 0 HD2 ARG A 122 -0.814 11.922 0.782 1.00 50.80 H new ATOM 0 HD3 ARG A 122 -1.467 12.384 2.121 1.00 50.80 H new ATOM 0 HE ARG A 122 0.316 13.974 2.227 1.00 68.54 H new ATOM 0 HH11 ARG A 122 -0.646 12.970 -0.792 1.00 74.31 H new ATOM 0 HH12 ARG A 122 -0.176 14.182 -1.519 1.00 74.31 H new ATOM 0 HH21 ARG A 122 0.990 15.828 1.085 1.00 68.15 H new ATOM 0 HH22 ARG A 122 0.807 15.900 -0.392 1.00 68.15 H new ATOM 925 N GLY A 123 -1.961 13.010 5.420 1.00 24.86 N ATOM 926 CA GLY A 123 -2.770 14.178 5.660 1.00 23.66 C ATOM 927 C GLY A 123 -2.323 15.315 4.765 1.00 24.11 C ATOM 928 O GLY A 123 -1.334 15.206 4.043 1.00 22.27 O ATOM 0 H GLY A 123 -1.238 12.986 5.885 1.00 24.86 H new ATOM 0 HA2 GLY A 123 -3.703 13.973 5.493 1.00 23.66 H new ATOM 0 HA3 GLY A 123 -2.700 14.443 6.590 1.00 23.66 H new ATOM 929 N VAL A 124 -3.032 16.435 4.859 1.00 22.54 N ATOM 930 CA VAL A 124 -2.661 17.627 4.089 1.00 21.71 C ATOM 931 C VAL A 124 -2.794 18.783 5.057 1.00 21.32 C ATOM 932 O VAL A 124 -3.542 18.690 6.048 1.00 18.11 O ATOM 933 CB VAL A 124 -3.558 17.847 2.840 1.00 21.76 C ATOM 934 CG1 VAL A 124 -3.065 16.946 1.682 1.00 25.31 C ATOM 935 CG2 VAL A 124 -5.056 17.642 3.113 1.00 20.73 C ATOM 0 H VAL A 124 -3.726 16.529 5.357 1.00 22.54 H new ATOM 0 HA VAL A 124 -1.762 17.536 3.736 1.00 21.71 H new ATOM 0 HB VAL A 124 -3.472 18.779 2.586 1.00 21.76 H new ATOM 0 HG11 VAL A 124 -3.626 17.084 0.903 1.00 25.31 H new ATOM 0 HG12 VAL A 124 -2.147 17.172 1.464 1.00 25.31 H new ATOM 0 HG13 VAL A 124 -3.112 16.016 1.953 1.00 25.31 H new ATOM 0 HG21 VAL A 124 -5.558 17.794 2.297 1.00 20.73 H new ATOM 0 HG22 VAL A 124 -5.208 16.735 3.421 1.00 20.73 H new ATOM 0 HG23 VAL A 124 -5.350 18.268 3.793 1.00 20.73 H new ATOM 936 N ARG A 125 -2.113 19.882 4.752 1.00 18.37 N ATOM 937 CA ARG A 125 -2.111 20.977 5.678 1.00 19.54 C ATOM 938 C ARG A 125 -2.006 22.270 4.866 1.00 21.09 C ATOM 939 O ARG A 125 -1.301 22.318 3.814 1.00 19.11 O ATOM 940 CB ARG A 125 -0.853 20.819 6.548 1.00 21.55 C ATOM 941 CG ARG A 125 -0.466 22.002 7.428 1.00 27.06 C ATOM 942 CD ARG A 125 0.655 21.624 8.419 1.00 29.12 C ATOM 943 NE ARG A 125 0.354 20.436 9.248 1.00 35.01 N ATOM 944 CZ ARG A 125 0.900 20.154 10.454 1.00 40.52 C ATOM 945 NH1 ARG A 125 1.736 20.987 11.073 1.00 38.51 N ATOM 946 NH2 ARG A 125 0.576 19.046 11.091 1.00 40.72 N ATOM 0 H ARG A 125 -1.660 20.003 4.031 1.00 18.37 H new ATOM 0 HA ARG A 125 -2.909 20.996 6.229 1.00 19.54 H new ATOM 0 HB2 ARG A 125 -0.978 20.046 7.120 1.00 21.55 H new ATOM 0 HB3 ARG A 125 -0.105 20.621 5.963 1.00 21.55 H new ATOM 0 HG2 ARG A 125 -0.172 22.739 6.871 1.00 27.06 H new ATOM 0 HG3 ARG A 125 -1.244 22.310 7.919 1.00 27.06 H new ATOM 0 HD2 ARG A 125 1.472 21.461 7.922 1.00 29.12 H new ATOM 0 HD3 ARG A 125 0.825 22.379 9.003 1.00 29.12 H new ATOM 0 HE ARG A 125 -0.218 19.875 8.936 1.00 35.01 H new ATOM 0 HH11 ARG A 125 1.947 21.736 10.706 1.00 38.51 H new ATOM 0 HH12 ARG A 125 2.065 20.776 11.839 1.00 38.51 H new ATOM 0 HH21 ARG A 125 0.014 18.497 10.740 1.00 40.72 H new ATOM 0 HH22 ARG A 125 0.926 18.872 11.857 1.00 40.72 H new ATOM 947 N CYS A 126 -2.642 23.328 5.375 1.00 16.73 N ATOM 948 CA CYS A 126 -2.307 24.676 4.932 1.00 17.71 C ATOM 949 C CYS A 126 -2.106 25.506 6.214 1.00 19.03 C ATOM 950 O CYS A 126 -3.080 25.911 6.866 1.00 16.39 O ATOM 951 CB CYS A 126 -3.385 25.231 4.016 1.00 14.67 C ATOM 952 SG CYS A 126 -3.097 26.961 3.635 1.00 17.29 S ATOM 0 H CYS A 126 -3.262 23.285 5.970 1.00 16.73 H new ATOM 0 HA CYS A 126 -1.497 24.697 4.398 1.00 17.71 H new ATOM 0 HB2 CYS A 126 -3.409 24.717 3.194 1.00 14.67 H new ATOM 0 HB3 CYS A 126 -4.253 25.131 4.438 1.00 14.67 H new ATOM 953 N ALA A 127 -0.837 25.710 6.571 1.00 18.79 N ATOM 954 CA ALA A 127 -0.561 26.371 7.857 1.00 21.43 C ATOM 955 C ALA A 127 0.200 27.670 7.743 1.00 22.94 C ATOM 956 O ALA A 127 0.658 28.206 8.748 1.00 25.82 O ATOM 957 CB ALA A 127 0.138 25.412 8.843 1.00 19.77 C ATOM 0 H ALA A 127 -0.147 25.486 6.109 1.00 18.79 H new ATOM 0 HA ALA A 127 -1.433 26.609 8.208 1.00 21.43 H new ATOM 0 HB1 ALA A 127 0.307 25.874 9.679 1.00 19.77 H new ATOM 0 HB2 ALA A 127 -0.432 24.645 9.007 1.00 19.77 H new ATOM 0 HB3 ALA A 127 0.979 25.114 8.463 1.00 19.77 H new ATOM 958 N ALA A 128 0.284 28.246 6.555 1.00 20.61 N ATOM 959 CA ALA A 128 1.091 29.485 6.385 1.00 19.96 C ATOM 960 C ALA A 128 0.290 30.692 6.832 1.00 19.66 C ATOM 961 O ALA A 128 -0.934 30.617 6.996 1.00 20.29 O ATOM 962 CB ALA A 128 1.538 29.634 4.922 1.00 17.96 C ATOM 0 H ALA A 128 -0.101 27.959 5.842 1.00 20.61 H new ATOM 0 HA ALA A 128 1.885 29.423 6.938 1.00 19.96 H new ATOM 0 HB1 ALA A 128 2.062 30.444 4.825 1.00 17.96 H new ATOM 0 HB2 ALA A 128 2.077 28.868 4.668 1.00 17.96 H new ATOM 0 HB3 ALA A 128 0.757 29.684 4.348 1.00 17.96 H new ATOM 963 N ASP A 129 0.978 31.814 7.003 1.00 19.73 N ATOM 964 CA ASP A 129 0.351 33.063 7.404 1.00 22.60 C ATOM 965 C ASP A 129 -0.270 33.764 6.172 1.00 20.86 C ATOM 966 O ASP A 129 0.146 34.863 5.772 1.00 20.66 O ATOM 967 CB ASP A 129 1.370 33.982 8.092 1.00 25.31 C ATOM 968 CG ASP A 129 0.725 35.209 8.710 1.00 27.05 C ATOM 969 OD1 ASP A 129 -0.537 35.284 8.880 1.00 27.48 O ATOM 970 OD2 ASP A 129 1.491 36.141 8.999 1.00 34.60 O ATOM 0 H ASP A 129 1.828 31.871 6.888 1.00 19.73 H new ATOM 0 HA ASP A 129 -0.355 32.867 8.039 1.00 22.60 H new ATOM 0 HB2 ASP A 129 1.836 33.484 8.782 1.00 25.31 H new ATOM 0 HB3 ASP A 129 2.036 34.262 7.445 1.00 25.31 H new ATOM 971 N ILE A 130 -1.314 33.162 5.632 1.00 16.85 N ATOM 972 CA ILE A 130 -2.012 33.755 4.506 1.00 16.21 C ATOM 973 C ILE A 130 -2.696 35.056 4.863 1.00 17.39 C ATOM 974 O ILE A 130 -2.707 35.941 4.032 1.00 18.38 O ATOM 975 CB ILE A 130 -2.916 32.698 3.801 1.00 16.18 C ATOM 976 CG1 ILE A 130 -2.023 31.616 3.141 1.00 16.33 C ATOM 977 CG2 ILE A 130 -3.986 33.391 2.862 1.00 16.58 C ATOM 978 CD1 ILE A 130 -2.790 30.651 2.281 1.00 19.16 C ATOM 0 H ILE A 130 -1.635 32.411 5.901 1.00 16.85 H new ATOM 0 HA ILE A 130 -1.358 34.024 3.842 1.00 16.21 H new ATOM 0 HB ILE A 130 -3.462 32.222 4.446 1.00 16.18 H new ATOM 0 HG12 ILE A 130 -1.345 32.051 2.601 1.00 16.33 H new ATOM 0 HG13 ILE A 130 -1.559 31.122 3.835 1.00 16.33 H new ATOM 0 HG21 ILE A 130 -4.533 32.711 2.438 1.00 16.58 H new ATOM 0 HG22 ILE A 130 -4.551 33.976 3.391 1.00 16.58 H new ATOM 0 HG23 ILE A 130 -3.531 33.911 2.181 1.00 16.58 H new ATOM 0 HD11 ILE A 130 -2.179 30.002 1.898 1.00 19.16 H new ATOM 0 HD12 ILE A 130 -3.452 30.192 2.821 1.00 19.16 H new ATOM 0 HD13 ILE A 130 -3.235 31.136 1.568 1.00 19.16 H new ATOM 979 N VAL A 131 -3.254 35.213 6.068 1.00 16.38 N ATOM 980 CA VAL A 131 -3.925 36.470 6.344 1.00 18.13 C ATOM 981 C VAL A 131 -2.882 37.650 6.425 1.00 18.34 C ATOM 982 O VAL A 131 -3.129 38.784 5.912 1.00 18.53 O ATOM 983 CB VAL A 131 -4.743 36.447 7.664 1.00 20.30 C ATOM 984 CG1 VAL A 131 -5.334 37.858 7.937 1.00 24.02 C ATOM 985 CG2 VAL A 131 -5.833 35.327 7.669 1.00 18.74 C ATOM 0 H VAL A 131 -3.254 34.634 6.704 1.00 16.38 H new ATOM 0 HA VAL A 131 -4.542 36.607 5.609 1.00 18.13 H new ATOM 0 HB VAL A 131 -4.144 36.223 8.393 1.00 20.30 H new ATOM 0 HG11 VAL A 131 -5.844 37.841 8.762 1.00 24.02 H new ATOM 0 HG12 VAL A 131 -4.612 38.501 8.017 1.00 24.02 H new ATOM 0 HG13 VAL A 131 -5.915 38.113 7.203 1.00 24.02 H new ATOM 0 HG21 VAL A 131 -6.317 35.350 8.509 1.00 18.74 H new ATOM 0 HG22 VAL A 131 -6.451 35.474 6.936 1.00 18.74 H new ATOM 0 HG23 VAL A 131 -5.408 34.461 7.565 1.00 18.74 H new ATOM 986 N GLY A 132 -1.786 37.387 7.138 1.00 17.28 N ATOM 987 CA GLY A 132 -0.686 38.349 7.246 1.00 19.33 C ATOM 988 C GLY A 132 -0.162 38.820 5.879 1.00 20.58 C ATOM 989 O GLY A 132 0.102 40.024 5.700 1.00 20.96 O ATOM 0 H GLY A 132 -1.659 36.654 7.569 1.00 17.28 H new ATOM 0 HA2 GLY A 132 -0.985 39.119 7.755 1.00 19.33 H new ATOM 0 HA3 GLY A 132 0.042 37.945 7.744 1.00 19.33 H new ATOM 990 N GLN A 133 0.008 37.886 4.951 1.00 17.89 N ATOM 991 CA GLN A 133 0.622 38.193 3.620 1.00 18.51 C ATOM 992 C GLN A 133 -0.404 38.525 2.525 1.00 19.36 C ATOM 993 O GLN A 133 -0.013 38.820 1.403 1.00 16.55 O ATOM 994 CB GLN A 133 1.456 36.976 3.160 1.00 20.33 C ATOM 995 CG GLN A 133 2.666 36.530 4.006 1.00 23.26 C ATOM 996 CD GLN A 133 3.696 37.639 4.211 1.00 28.68 C ATOM 997 OE1 GLN A 133 3.598 38.698 3.638 1.00 27.43 O ATOM 998 NE2 GLN A 133 4.635 37.424 5.120 1.00 37.21 N ATOM 0 H GLN A 133 -0.219 37.063 5.054 1.00 17.89 H new ATOM 0 HA GLN A 133 1.170 38.984 3.744 1.00 18.51 H new ATOM 0 HB2 GLN A 133 0.854 36.219 3.090 1.00 20.33 H new ATOM 0 HB3 GLN A 133 1.779 37.165 2.265 1.00 20.33 H new ATOM 0 HG2 GLN A 133 2.353 36.223 4.871 1.00 23.26 H new ATOM 0 HG3 GLN A 133 3.094 35.774 3.575 1.00 23.26 H new ATOM 0 HE21 GLN A 133 4.685 36.662 5.515 1.00 37.21 H new ATOM 0 HE22 GLN A 133 5.195 38.047 5.316 1.00 37.21 H new ATOM 999 N CYS A 134 -1.716 38.482 2.856 1.00 17.41 N ATOM 1000 CA CYS A 134 -2.805 38.635 1.894 1.00 17.20 C ATOM 1001 C CYS A 134 -2.647 39.945 1.044 1.00 19.99 C ATOM 1002 O CYS A 134 -2.374 41.025 1.597 1.00 18.85 O ATOM 1003 CB CYS A 134 -4.100 38.720 2.709 1.00 17.19 C ATOM 1004 SG CYS A 134 -5.585 38.674 1.678 1.00 17.70 S ATOM 0 H CYS A 134 -1.989 38.361 3.662 1.00 17.41 H new ATOM 0 HA CYS A 134 -2.806 37.887 1.276 1.00 17.20 H new ATOM 0 HB2 CYS A 134 -4.128 37.985 3.341 1.00 17.19 H new ATOM 0 HB3 CYS A 134 -4.097 39.540 3.228 1.00 17.19 H new ATOM 1005 N PRO A 135 -2.783 39.860 -0.279 1.00 19.37 N ATOM 1006 CA PRO A 135 -2.742 41.060 -1.147 1.00 22.31 C ATOM 1007 C PRO A 135 -3.787 42.034 -0.676 1.00 23.51 C ATOM 1008 O PRO A 135 -4.867 41.613 -0.244 1.00 21.77 O ATOM 1009 CB PRO A 135 -3.143 40.516 -2.511 1.00 21.67 C ATOM 1010 CG PRO A 135 -2.754 39.084 -2.479 1.00 20.97 C ATOM 1011 CD PRO A 135 -2.752 38.613 -1.048 1.00 20.15 C ATOM 0 HA PRO A 135 -1.884 41.512 -1.150 1.00 22.31 H new ATOM 0 HB2 PRO A 135 -4.095 40.618 -2.665 1.00 21.67 H new ATOM 0 HB3 PRO A 135 -2.688 40.988 -3.226 1.00 21.67 H new ATOM 0 HG2 PRO A 135 -3.374 38.556 -3.006 1.00 20.97 H new ATOM 0 HG3 PRO A 135 -1.875 38.966 -2.873 1.00 20.97 H new ATOM 0 HD2 PRO A 135 -3.521 38.055 -0.854 1.00 20.15 H new ATOM 0 HD3 PRO A 135 -1.962 38.088 -0.846 1.00 20.15 H new ATOM 1012 N ALA A 136 -3.468 43.333 -0.690 1.00 23.20 N ATOM 1013 CA ALA A 136 -4.370 44.313 -0.138 1.00 21.54 C ATOM 1014 C ALA A 136 -5.793 44.184 -0.689 1.00 21.80 C ATOM 1015 O ALA A 136 -6.738 44.396 0.037 1.00 23.85 O ATOM 1016 CB ALA A 136 -3.841 45.687 -0.463 1.00 26.20 C ATOM 0 H ALA A 136 -2.738 43.653 -1.014 1.00 23.20 H new ATOM 0 HA ALA A 136 -4.417 44.166 0.820 1.00 21.54 H new ATOM 0 HB1 ALA A 136 -4.438 46.359 -0.098 1.00 26.20 H new ATOM 0 HB2 ALA A 136 -2.958 45.794 -0.075 1.00 26.20 H new ATOM 0 HB3 ALA A 136 -3.786 45.793 -1.426 1.00 26.20 H new ATOM 1017 N LYS A 137 -5.971 43.886 -1.995 1.00 20.05 N ATOM 1018 CA LYS A 137 -7.343 43.803 -2.594 1.00 20.15 C ATOM 1019 C LYS A 137 -8.171 42.617 -2.121 1.00 19.78 C ATOM 1020 O LYS A 137 -9.406 42.620 -2.212 1.00 22.11 O ATOM 1021 CB LYS A 137 -7.285 43.785 -4.120 1.00 25.62 C ATOM 1022 CG LYS A 137 -6.497 44.963 -4.638 1.00 30.56 C ATOM 1023 CD LYS A 137 -6.951 45.294 -6.039 1.00 40.32 C ATOM 1024 CE LYS A 137 -7.114 46.805 -6.143 1.00 47.67 C ATOM 1025 NZ LYS A 137 -7.535 47.153 -7.523 1.00 53.19 N ATOM 0 H LYS A 137 -5.330 43.730 -2.546 1.00 20.05 H new ATOM 0 HA LYS A 137 -7.789 44.605 -2.279 1.00 20.15 H new ATOM 0 HB2 LYS A 137 -6.877 42.959 -4.423 1.00 25.62 H new ATOM 0 HB3 LYS A 137 -8.184 43.807 -4.483 1.00 25.62 H new ATOM 0 HG2 LYS A 137 -6.623 45.730 -4.057 1.00 30.56 H new ATOM 0 HG3 LYS A 137 -5.549 44.757 -4.635 1.00 30.56 H new ATOM 0 HD2 LYS A 137 -6.303 44.978 -6.688 1.00 40.32 H new ATOM 0 HD3 LYS A 137 -7.790 44.849 -6.237 1.00 40.32 H new ATOM 0 HE2 LYS A 137 -7.774 47.115 -5.503 1.00 47.67 H new ATOM 0 HE3 LYS A 137 -6.279 47.248 -5.926 1.00 47.67 H new ATOM 0 HZ1 LYS A 137 -7.632 48.035 -7.590 1.00 53.19 H new ATOM 0 HZ2 LYS A 137 -6.916 46.878 -8.101 1.00 53.19 H new ATOM 0 HZ3 LYS A 137 -8.310 46.755 -7.707 1.00 53.19 H new ATOM 1026 N LEU A 138 -7.488 41.601 -1.609 1.00 16.48 N ATOM 1027 CA LEU A 138 -8.230 40.394 -1.109 1.00 17.57 C ATOM 1028 C LEU A 138 -8.499 40.445 0.397 1.00 16.95 C ATOM 1029 O LEU A 138 -9.176 39.567 0.911 1.00 16.45 O ATOM 1030 CB LEU A 138 -7.422 39.118 -1.438 1.00 15.53 C ATOM 1031 CG LEU A 138 -7.112 38.816 -2.941 1.00 17.40 C ATOM 1032 CD1 LEU A 138 -6.324 37.496 -3.019 1.00 15.55 C ATOM 1033 CD2 LEU A 138 -8.398 38.849 -3.790 1.00 18.02 C ATOM 0 H LEU A 138 -6.632 41.567 -1.534 1.00 16.48 H new ATOM 0 HA LEU A 138 -9.090 40.383 -1.557 1.00 17.57 H new ATOM 0 HB2 LEU A 138 -6.577 39.170 -0.964 1.00 15.53 H new ATOM 0 HB3 LEU A 138 -7.904 38.359 -1.075 1.00 15.53 H new ATOM 0 HG LEU A 138 -6.552 39.507 -3.328 1.00 17.40 H new ATOM 0 HD11 LEU A 138 -6.123 37.293 -3.946 1.00 15.55 H new ATOM 0 HD12 LEU A 138 -5.496 37.583 -2.521 1.00 15.55 H new ATOM 0 HD13 LEU A 138 -6.855 36.779 -2.639 1.00 15.55 H new ATOM 0 HD21 LEU A 138 -8.180 38.659 -4.716 1.00 18.02 H new ATOM 0 HD22 LEU A 138 -9.020 38.181 -3.461 1.00 18.02 H new ATOM 0 HD23 LEU A 138 -8.805 39.727 -3.728 1.00 18.02 H new ATOM 1034 N LYS A 139 -7.877 41.356 1.122 1.00 16.34 N ATOM 1035 CA LYS A 139 -8.071 41.421 2.588 1.00 19.00 C ATOM 1036 C LYS A 139 -9.494 41.653 2.979 1.00 21.03 C ATOM 1037 O LYS A 139 -10.139 42.535 2.479 1.00 22.04 O ATOM 1038 CB LYS A 139 -7.238 42.529 3.204 1.00 24.70 C ATOM 1039 CG LYS A 139 -5.813 42.119 3.424 1.00 29.99 C ATOM 1040 CD LYS A 139 -4.905 43.275 3.837 1.00 39.32 C ATOM 1041 CE LYS A 139 -3.991 42.770 4.939 1.00 50.50 C ATOM 1042 NZ LYS A 139 -2.960 43.809 5.186 1.00 66.65 N ATOM 0 H LYS A 139 -7.340 41.947 0.803 1.00 16.34 H new ATOM 0 HA LYS A 139 -7.790 40.554 2.920 1.00 19.00 H new ATOM 0 HB2 LYS A 139 -7.262 43.308 2.626 1.00 24.70 H new ATOM 0 HB3 LYS A 139 -7.630 42.792 4.051 1.00 24.70 H new ATOM 0 HG2 LYS A 139 -5.783 41.433 4.109 1.00 29.99 H new ATOM 0 HG3 LYS A 139 -5.469 41.721 2.609 1.00 29.99 H new ATOM 0 HD2 LYS A 139 -4.385 43.587 3.080 1.00 39.32 H new ATOM 0 HD3 LYS A 139 -5.432 44.027 4.149 1.00 39.32 H new ATOM 0 HE2 LYS A 139 -4.498 42.595 5.747 1.00 50.50 H new ATOM 0 HE3 LYS A 139 -3.575 41.933 4.679 1.00 50.50 H new ATOM 0 HZ1 LYS A 139 -2.410 43.535 5.830 1.00 66.65 H new ATOM 0 HZ2 LYS A 139 -2.495 43.950 4.440 1.00 66.65 H new ATOM 0 HZ3 LYS A 139 -3.355 44.566 5.436 1.00 66.65 H new ATOM 1043 N ALA A 140 -9.995 40.838 3.888 1.00 19.58 N ATOM 1044 CA ALA A 140 -11.370 40.951 4.359 1.00 20.85 C ATOM 1045 C ALA A 140 -11.298 41.754 5.647 1.00 25.58 C ATOM 1046 O ALA A 140 -10.510 41.382 6.543 1.00 24.58 O ATOM 1047 CB ALA A 140 -11.934 39.579 4.657 1.00 20.08 C ATOM 0 H ALA A 140 -9.549 40.200 4.253 1.00 19.58 H new ATOM 0 HA ALA A 140 -11.939 41.371 3.695 1.00 20.85 H new ATOM 0 HB1 ALA A 140 -12.848 39.666 4.969 1.00 20.08 H new ATOM 0 HB2 ALA A 140 -11.918 39.040 3.851 1.00 20.08 H new ATOM 0 HB3 ALA A 140 -11.398 39.150 5.342 1.00 20.08 H new ATOM 1048 N PRO A 141 -12.150 42.797 5.779 1.00 32.48 N ATOM 1049 CA PRO A 141 -12.220 43.649 6.977 1.00 37.09 C ATOM 1050 C PRO A 141 -12.513 42.777 8.182 1.00 39.12 C ATOM 1051 O PRO A 141 -11.788 42.870 9.188 1.00 44.88 O ATOM 1052 CB PRO A 141 -13.392 44.577 6.636 1.00 37.16 C ATOM 1053 CG PRO A 141 -13.252 44.743 5.149 1.00 35.06 C ATOM 1054 CD PRO A 141 -13.085 43.302 4.749 1.00 34.50 C ATOM 0 HA PRO A 141 -11.410 44.138 7.192 1.00 37.09 H new ATOM 0 HB2 PRO A 141 -14.246 44.184 6.877 1.00 37.16 H new ATOM 0 HB3 PRO A 141 -13.328 45.425 7.102 1.00 37.16 H new ATOM 0 HG2 PRO A 141 -14.033 45.153 4.745 1.00 35.06 H new ATOM 0 HG3 PRO A 141 -12.487 45.288 4.906 1.00 35.06 H new ATOM 0 HD2 PRO A 141 -13.928 42.823 4.760 1.00 34.50 H new ATOM 0 HD3 PRO A 141 -12.720 43.214 3.854 1.00 34.50 H new ATOM 1055 N GLY A 142 -13.502 41.881 8.021 1.00 40.87 N ATOM 1056 CA GLY A 142 -13.735 40.721 8.883 1.00 39.14 C ATOM 1057 C GLY A 142 -12.544 40.060 9.573 1.00 36.89 C ATOM 1058 O GLY A 142 -12.654 39.654 10.727 1.00 33.61 O ATOM 0 H GLY A 142 -14.073 41.940 7.381 1.00 40.87 H new ATOM 0 HA2 GLY A 142 -14.361 40.990 9.573 1.00 39.14 H new ATOM 0 HA3 GLY A 142 -14.177 40.043 8.348 1.00 39.14 H new ATOM 1059 N GLY A 143 -11.394 39.991 8.901 1.00 36.16 N ATOM 1060 CA GLY A 143 -10.275 39.082 9.244 1.00 29.88 C ATOM 1061 C GLY A 143 -10.364 38.082 8.040 1.00 30.35 C ATOM 1062 O GLY A 143 -11.435 37.904 7.385 1.00 30.38 O ATOM 0 H GLY A 143 -11.231 40.481 8.214 1.00 36.16 H new ATOM 0 HA2 GLY A 143 -9.422 39.542 9.283 1.00 29.88 H new ATOM 0 HA3 GLY A 143 -10.401 38.644 10.100 1.00 29.88 H new ATOM 1063 N GLY A 144 -9.248 37.506 7.670 1.00 23.22 N ATOM 1064 CA GLY A 144 -9.264 36.544 6.558 1.00 16.88 C ATOM 1065 C GLY A 144 -8.769 37.140 5.261 1.00 17.16 C ATOM 1066 O GLY A 144 -8.618 38.367 5.134 1.00 16.03 O ATOM 0 H GLY A 144 -8.479 37.643 8.029 1.00 23.22 H new ATOM 0 HA2 GLY A 144 -8.713 35.780 6.789 1.00 16.88 H new ATOM 0 HA3 GLY A 144 -10.168 36.215 6.434 1.00 16.88 H new ATOM 1067 N CYS A 145 -8.532 36.243 4.312 1.00 14.83 N ATOM 1068 CA CYS A 145 -8.036 36.603 2.978 1.00 14.14 C ATOM 1069 C CYS A 145 -8.998 35.987 1.972 1.00 13.30 C ATOM 1070 O CYS A 145 -9.067 34.726 1.809 1.00 13.40 O ATOM 1071 CB CYS A 145 -6.614 36.063 2.801 1.00 13.93 C ATOM 1072 SG CYS A 145 -5.867 36.696 1.284 1.00 14.64 S ATOM 0 H CYS A 145 -8.654 35.399 4.420 1.00 14.83 H new ATOM 0 HA CYS A 145 -7.996 37.564 2.851 1.00 14.14 H new ATOM 0 HB2 CYS A 145 -6.071 36.317 3.563 1.00 13.93 H new ATOM 0 HB3 CYS A 145 -6.633 35.094 2.776 1.00 13.93 H new ATOM 1073 N ASN A 146 -9.767 36.837 1.281 1.00 13.15 N ATOM 1074 CA ASN A 146 -10.786 36.299 0.341 1.00 13.58 C ATOM 1075 C ASN A 146 -10.146 35.765 -0.886 1.00 13.05 C ATOM 1076 O ASN A 146 -9.046 36.212 -1.270 1.00 13.78 O ATOM 1077 CB ASN A 146 -11.723 37.397 -0.211 1.00 15.48 C ATOM 1078 CG ASN A 146 -12.720 37.884 0.793 1.00 20.95 C ATOM 1079 OD1 ASN A 146 -13.420 37.131 1.409 1.00 22.72 O ATOM 1080 ND2 ASN A 146 -12.750 39.178 0.968 1.00 25.41 N ATOM 0 H ASN A 146 -9.726 37.695 1.331 1.00 13.15 H new ATOM 0 HA ASN A 146 -11.264 35.632 0.858 1.00 13.58 H new ATOM 0 HB2 ASN A 146 -11.188 38.146 -0.516 1.00 15.48 H new ATOM 0 HB3 ASN A 146 -12.195 37.052 -0.985 1.00 15.48 H new ATOM 0 HD21 ASN A 146 -13.288 39.522 1.545 1.00 25.41 H new ATOM 0 HD22 ASN A 146 -12.232 39.686 0.507 1.00 25.41 H new ATOM 1081 N ASP A 147 -10.824 34.815 -1.534 1.00 12.68 N ATOM 1082 CA ASP A 147 -10.462 34.387 -2.935 1.00 12.91 C ATOM 1083 C ASP A 147 -10.899 35.445 -3.958 1.00 12.95 C ATOM 1084 O ASP A 147 -11.802 36.335 -3.654 1.00 11.64 O ATOM 1085 CB ASP A 147 -11.171 33.072 -3.248 1.00 13.96 C ATOM 1086 CG ASP A 147 -12.677 33.263 -3.318 1.00 15.54 C ATOM 1087 OD1 ASP A 147 -13.306 33.338 -2.268 1.00 15.02 O ATOM 1088 OD2 ASP A 147 -13.189 33.399 -4.429 1.00 13.98 O ATOM 0 H ASP A 147 -11.496 34.396 -1.200 1.00 12.68 H new ATOM 0 HA ASP A 147 -9.500 34.279 -2.990 1.00 12.91 H new ATOM 0 HB2 ASP A 147 -10.847 32.720 -4.092 1.00 13.96 H new ATOM 0 HB3 ASP A 147 -10.957 32.416 -2.566 1.00 13.96 H new ATOM 1089 N ALA A 148 -10.232 35.453 -5.131 1.00 12.79 N ATOM 1090 CA ALA A 148 -10.519 36.516 -6.130 1.00 13.29 C ATOM 1091 C ALA A 148 -11.936 36.403 -6.720 1.00 12.68 C ATOM 1092 O ALA A 148 -12.515 37.425 -7.185 1.00 13.05 O ATOM 1093 CB ALA A 148 -9.493 36.418 -7.271 1.00 11.79 C ATOM 0 H ALA A 148 -9.635 34.880 -5.363 1.00 12.79 H new ATOM 0 HA ALA A 148 -10.458 37.371 -5.675 1.00 13.29 H new ATOM 0 HB1 ALA A 148 -9.673 37.108 -7.928 1.00 11.79 H new ATOM 0 HB2 ALA A 148 -8.599 36.537 -6.914 1.00 11.79 H new ATOM 0 HB3 ALA A 148 -9.559 35.547 -7.692 1.00 11.79 H new ATOM 1094 N CYS A 149 -12.492 35.173 -6.792 1.00 13.42 N ATOM 1095 CA CYS A 149 -13.873 35.019 -7.321 1.00 14.84 C ATOM 1096 C CYS A 149 -14.825 35.826 -6.424 1.00 15.54 C ATOM 1097 O CYS A 149 -15.605 36.675 -6.880 1.00 13.95 O ATOM 1098 CB CYS A 149 -14.279 33.500 -7.385 1.00 14.29 C ATOM 1099 SG CYS A 149 -16.021 33.308 -7.802 1.00 15.62 S ATOM 0 H CYS A 149 -12.106 34.443 -6.551 1.00 13.42 H new ATOM 0 HA CYS A 149 -13.925 35.359 -8.228 1.00 14.84 H new ATOM 0 HB2 CYS A 149 -13.734 33.044 -8.045 1.00 14.29 H new ATOM 0 HB3 CYS A 149 -14.100 33.079 -6.530 1.00 14.29 H new ATOM 1100 N THR A 150 -14.824 35.544 -5.128 1.00 13.42 N ATOM 1101 CA THR A 150 -15.653 36.300 -4.170 1.00 14.26 C ATOM 1102 C THR A 150 -15.510 37.792 -4.298 1.00 15.08 C ATOM 1103 O THR A 150 -16.529 38.509 -4.277 1.00 14.76 O ATOM 1104 CB THR A 150 -15.177 35.936 -2.735 1.00 15.83 C ATOM 1105 OG1 THR A 150 -15.528 34.566 -2.566 1.00 17.69 O ATOM 1106 CG2 THR A 150 -15.851 36.739 -1.609 1.00 17.25 C ATOM 0 H THR A 150 -14.352 34.919 -4.773 1.00 13.42 H new ATOM 0 HA THR A 150 -16.577 36.065 -4.351 1.00 14.26 H new ATOM 0 HB THR A 150 -14.230 36.133 -2.666 1.00 15.83 H new ATOM 0 HG1 THR A 150 -14.882 34.151 -2.225 1.00 17.69 H new ATOM 0 HG21 THR A 150 -15.500 36.452 -0.752 1.00 17.25 H new ATOM 0 HG22 THR A 150 -15.670 37.684 -1.732 1.00 17.25 H new ATOM 0 HG23 THR A 150 -16.809 36.588 -1.632 1.00 17.25 H new ATOM 1107 N VAL A 151 -14.287 38.291 -4.430 1.00 13.15 N ATOM 1108 CA VAL A 151 -14.102 39.778 -4.529 1.00 13.79 C ATOM 1109 C VAL A 151 -14.601 40.403 -5.867 1.00 14.85 C ATOM 1110 O VAL A 151 -15.260 41.420 -5.872 1.00 15.18 O ATOM 1111 CB VAL A 151 -12.572 40.148 -4.262 1.00 12.81 C ATOM 1112 CG1 VAL A 151 -12.239 41.650 -4.433 1.00 12.94 C ATOM 1113 CG2 VAL A 151 -12.147 39.681 -2.882 1.00 15.09 C ATOM 0 H VAL A 151 -13.565 37.826 -4.465 1.00 13.15 H new ATOM 0 HA VAL A 151 -14.666 40.170 -3.844 1.00 13.79 H new ATOM 0 HB VAL A 151 -12.069 39.680 -4.947 1.00 12.81 H new ATOM 0 HG11 VAL A 151 -11.297 41.795 -4.255 1.00 12.94 H new ATOM 0 HG12 VAL A 151 -12.442 41.925 -5.341 1.00 12.94 H new ATOM 0 HG13 VAL A 151 -12.769 42.172 -3.811 1.00 12.94 H new ATOM 0 HG21 VAL A 151 -11.217 39.912 -2.734 1.00 15.09 H new ATOM 0 HG22 VAL A 151 -12.698 40.113 -2.210 1.00 15.09 H new ATOM 0 HG23 VAL A 151 -12.255 38.719 -2.818 1.00 15.09 H new ATOM 1114 N PHE A 152 -14.135 39.849 -7.001 1.00 14.57 N ATOM 1115 CA PHE A 152 -14.303 40.480 -8.324 1.00 15.39 C ATOM 1116 C PHE A 152 -15.434 39.954 -9.178 1.00 15.82 C ATOM 1117 O PHE A 152 -15.881 40.649 -10.107 1.00 18.56 O ATOM 1118 CB PHE A 152 -12.944 40.358 -9.074 1.00 13.72 C ATOM 1119 CG PHE A 152 -11.843 41.143 -8.441 1.00 14.64 C ATOM 1120 CD1 PHE A 152 -11.867 42.520 -8.493 1.00 17.66 C ATOM 1121 CD2 PHE A 152 -10.839 40.508 -7.704 1.00 16.24 C ATOM 1122 CE1 PHE A 152 -10.863 43.298 -7.875 1.00 18.62 C ATOM 1123 CE2 PHE A 152 -9.849 41.231 -7.092 1.00 15.65 C ATOM 1124 CZ PHE A 152 -9.871 42.639 -7.169 1.00 18.40 C ATOM 0 H PHE A 152 -13.714 39.099 -7.023 1.00 14.57 H new ATOM 0 HA PHE A 152 -14.560 41.401 -8.162 1.00 15.39 H new ATOM 0 HB2 PHE A 152 -12.686 39.424 -9.111 1.00 13.72 H new ATOM 0 HB3 PHE A 152 -13.060 40.657 -9.990 1.00 13.72 H new ATOM 0 HD1 PHE A 152 -12.559 42.946 -8.945 1.00 17.66 H new ATOM 0 HD2 PHE A 152 -10.843 39.581 -7.628 1.00 16.24 H new ATOM 0 HE1 PHE A 152 -10.868 44.226 -7.940 1.00 18.62 H new ATOM 0 HE2 PHE A 152 -9.169 40.797 -6.630 1.00 15.65 H new ATOM 0 HZ PHE A 152 -9.210 43.132 -6.739 1.00 18.40 H new ATOM 1125 N GLN A 153 -15.849 38.695 -8.948 1.00 15.37 N ATOM 1126 CA GLN A 153 -17.009 38.079 -9.624 1.00 15.40 C ATOM 1127 C GLN A 153 -16.836 38.089 -11.168 1.00 15.00 C ATOM 1128 O GLN A 153 -17.768 38.481 -11.874 1.00 14.35 O ATOM 1129 CB GLN A 153 -18.333 38.781 -9.206 1.00 16.90 C ATOM 1130 CG GLN A 153 -18.654 38.606 -7.687 1.00 19.65 C ATOM 1131 CD GLN A 153 -19.430 37.315 -7.470 1.00 24.10 C ATOM 1132 OE1 GLN A 153 -20.636 37.293 -7.650 1.00 27.58 O ATOM 1133 NE2 GLN A 153 -18.755 36.228 -7.061 1.00 23.80 N ATOM 0 H GLN A 153 -15.460 38.170 -8.389 1.00 15.37 H new ATOM 0 HA GLN A 153 -17.057 37.153 -9.341 1.00 15.40 H new ATOM 0 HB2 GLN A 153 -18.273 39.727 -9.413 1.00 16.90 H new ATOM 0 HB3 GLN A 153 -19.065 38.422 -9.731 1.00 16.90 H new ATOM 0 HG2 GLN A 153 -17.831 38.589 -7.174 1.00 19.65 H new ATOM 0 HG3 GLN A 153 -19.171 39.362 -7.368 1.00 19.65 H new ATOM 0 HE21 GLN A 153 -17.904 36.270 -6.941 1.00 23.80 H new ATOM 0 HE22 GLN A 153 -19.173 35.490 -6.919 1.00 23.80 H new ATOM 1134 N THR A 154 -15.652 37.665 -11.659 1.00 14.87 N ATOM 1135 CA THR A 154 -15.416 37.512 -13.097 1.00 14.70 C ATOM 1136 C THR A 154 -15.492 36.040 -13.509 1.00 15.18 C ATOM 1137 O THR A 154 -15.288 35.069 -12.702 1.00 13.70 O ATOM 1138 CB THR A 154 -14.059 38.094 -13.543 1.00 13.64 C ATOM 1139 OG1 THR A 154 -13.018 37.332 -12.968 1.00 14.42 O ATOM 1140 CG2 THR A 154 -13.909 39.563 -13.142 1.00 13.68 C ATOM 0 H THR A 154 -14.976 37.462 -11.167 1.00 14.87 H new ATOM 0 HA THR A 154 -16.117 38.015 -13.540 1.00 14.70 H new ATOM 0 HB THR A 154 -14.014 38.050 -14.511 1.00 13.64 H new ATOM 0 HG1 THR A 154 -12.717 37.733 -12.294 1.00 14.42 H new ATOM 0 HG21 THR A 154 -13.046 39.893 -13.438 1.00 13.68 H new ATOM 0 HG22 THR A 154 -14.614 40.085 -13.556 1.00 13.68 H new ATOM 0 HG23 THR A 154 -13.971 39.643 -12.177 1.00 13.68 H new ATOM 1141 N SER A 155 -15.715 35.859 -14.808 1.00 15.54 N ATOM 1142 CA SER A 155 -15.694 34.513 -15.364 1.00 15.75 C ATOM 1143 C SER A 155 -14.350 33.821 -15.153 1.00 14.04 C ATOM 1144 O SER A 155 -14.291 32.594 -14.893 1.00 13.53 O ATOM 1145 CB SER A 155 -15.909 34.633 -16.879 1.00 18.90 C ATOM 1146 OG SER A 155 -17.301 34.786 -17.026 1.00 24.10 O ATOM 0 H SER A 155 -15.877 36.488 -15.372 1.00 15.54 H new ATOM 0 HA SER A 155 -16.382 33.993 -14.921 1.00 15.75 H new ATOM 0 HB2 SER A 155 -15.429 35.393 -17.245 1.00 18.90 H new ATOM 0 HB3 SER A 155 -15.589 33.845 -17.345 1.00 18.90 H new ATOM 0 HG SER A 155 -17.490 34.860 -17.841 1.00 24.10 H new ATOM 1147 N GLU A 156 -13.265 34.580 -15.238 1.00 13.39 N ATOM 1148 CA GLU A 156 -11.903 33.989 -15.130 1.00 12.82 C ATOM 1149 C GLU A 156 -11.612 33.503 -13.692 1.00 13.80 C ATOM 1150 O GLU A 156 -11.159 32.398 -13.483 1.00 15.82 O ATOM 1151 CB GLU A 156 -10.829 34.984 -15.579 1.00 12.50 C ATOM 1152 CG GLU A 156 -9.462 34.345 -15.742 1.00 16.44 C ATOM 1153 CD GLU A 156 -9.420 33.271 -16.819 1.00 16.27 C ATOM 1154 OE1 GLU A 156 -10.339 33.149 -17.695 1.00 16.56 O ATOM 1155 OE2 GLU A 156 -8.463 32.490 -16.770 1.00 18.21 O ATOM 0 H GLU A 156 -13.278 35.432 -15.357 1.00 13.39 H new ATOM 0 HA GLU A 156 -11.876 33.221 -15.722 1.00 12.82 H new ATOM 0 HB2 GLU A 156 -11.097 35.383 -16.422 1.00 12.50 H new ATOM 0 HB3 GLU A 156 -10.770 35.703 -14.931 1.00 12.50 H new ATOM 0 HG2 GLU A 156 -8.814 35.034 -15.957 1.00 16.44 H new ATOM 0 HG3 GLU A 156 -9.192 33.955 -14.896 1.00 16.44 H new ATOM 1156 N TYR A 157 -11.882 34.338 -12.712 1.00 12.78 N ATOM 1157 CA TYR A 157 -11.627 33.982 -11.283 1.00 13.26 C ATOM 1158 C TYR A 157 -12.585 32.888 -10.843 1.00 15.24 C ATOM 1159 O TYR A 157 -12.148 32.034 -10.104 1.00 14.26 O ATOM 1160 CB TYR A 157 -11.805 35.211 -10.384 1.00 12.87 C ATOM 1161 CG TYR A 157 -10.752 36.271 -10.633 1.00 12.39 C ATOM 1162 CD1 TYR A 157 -9.408 35.913 -10.838 1.00 13.02 C ATOM 1163 CD2 TYR A 157 -11.080 37.590 -10.587 1.00 13.29 C ATOM 1164 CE1 TYR A 157 -8.435 36.877 -11.105 1.00 13.43 C ATOM 1165 CE2 TYR A 157 -10.096 38.554 -10.745 1.00 13.70 C ATOM 1166 CZ TYR A 157 -8.797 38.193 -11.050 1.00 13.44 C ATOM 1167 OH TYR A 157 -7.849 39.166 -11.318 1.00 14.59 O ATOM 0 H TYR A 157 -12.214 35.123 -12.828 1.00 12.78 H new ATOM 0 HA TYR A 157 -10.714 33.664 -11.203 1.00 13.26 H new ATOM 0 HB2 TYR A 157 -12.684 35.592 -10.533 1.00 12.87 H new ATOM 0 HB3 TYR A 157 -11.769 34.936 -9.455 1.00 12.87 H new ATOM 0 HD1 TYR A 157 -9.163 35.017 -10.795 1.00 13.02 H new ATOM 0 HD2 TYR A 157 -11.964 37.845 -10.450 1.00 13.29 H new ATOM 0 HE1 TYR A 157 -7.563 36.630 -11.315 1.00 13.43 H new ATOM 0 HE2 TYR A 157 -10.312 39.453 -10.645 1.00 13.70 H new ATOM 0 HH TYR A 157 -8.229 39.909 -11.413 1.00 14.59 H new ATOM 1168 N CYS A 158 -13.874 32.974 -11.244 1.00 14.45 N ATOM 1169 CA CYS A 158 -14.915 31.999 -10.888 1.00 15.40 C ATOM 1170 C CYS A 158 -14.957 30.686 -11.747 1.00 18.02 C ATOM 1171 O CYS A 158 -15.652 29.713 -11.347 1.00 16.53 O ATOM 1172 CB CYS A 158 -16.329 32.651 -10.757 1.00 13.63 C ATOM 1173 SG CYS A 158 -16.244 34.122 -9.687 1.00 15.67 S ATOM 0 H CYS A 158 -14.164 33.615 -11.739 1.00 14.45 H new ATOM 0 HA CYS A 158 -14.637 31.695 -10.010 1.00 15.40 H new ATOM 0 HB2 CYS A 158 -16.661 32.899 -11.634 1.00 13.63 H new ATOM 0 HB3 CYS A 158 -16.956 32.009 -10.388 1.00 13.63 H new ATOM 1174 N CYS A 159 -14.164 30.620 -12.830 1.00 18.08 N ATOM 1175 CA CYS A 159 -14.112 29.512 -13.814 1.00 21.08 C ATOM 1176 C CYS A 159 -15.472 29.126 -14.298 1.00 20.58 C ATOM 1177 O CYS A 159 -15.774 27.930 -14.471 1.00 20.08 O ATOM 1178 CB CYS A 159 -13.401 28.233 -13.338 1.00 27.03 C ATOM 1179 SG CYS A 159 -11.792 28.600 -12.695 1.00 41.54 S ATOM 0 H CYS A 159 -13.613 31.251 -13.023 1.00 18.08 H new ATOM 0 HA CYS A 159 -13.579 29.890 -14.531 1.00 21.08 H new ATOM 0 HB2 CYS A 159 -13.934 27.798 -12.654 1.00 27.03 H new ATOM 0 HB3 CYS A 159 -13.323 27.609 -14.076 1.00 27.03 H new ATOM 1180 N THR A 160 -16.294 30.142 -14.537 1.00 21.96 N ATOM 1181 CA THR A 160 -17.722 29.951 -14.779 1.00 21.51 C ATOM 1182 C THR A 160 -17.859 29.295 -16.143 1.00 24.53 C ATOM 1183 O THR A 160 -18.832 28.601 -16.364 1.00 29.24 O ATOM 1184 CB THR A 160 -18.492 31.291 -14.733 1.00 24.88 C ATOM 1185 OG1 THR A 160 -17.996 32.109 -15.751 1.00 34.11 O ATOM 1186 CG2 THR A 160 -18.140 32.055 -13.529 1.00 22.30 C ATOM 0 H THR A 160 -16.040 30.963 -14.564 1.00 21.96 H new ATOM 0 HA THR A 160 -18.107 29.392 -14.086 1.00 21.51 H new ATOM 0 HB THR A 160 -19.438 31.084 -14.786 1.00 24.88 H new ATOM 0 HG1 THR A 160 -18.403 32.844 -15.744 1.00 34.11 H new ATOM 0 HG21 THR A 160 -18.633 32.890 -13.520 1.00 22.30 H new ATOM 0 HG22 THR A 160 -18.366 31.538 -12.740 1.00 22.30 H new ATOM 0 HG23 THR A 160 -17.188 32.242 -13.531 1.00 22.30 H new ATOM 1187 N THR A 161 -16.910 29.474 -17.069 1.00 25.30 N ATOM 1188 CA THR A 161 -17.098 28.798 -18.375 1.00 27.67 C ATOM 1189 C THR A 161 -16.530 27.373 -18.359 1.00 33.05 C ATOM 1190 O THR A 161 -16.606 26.699 -19.370 1.00 36.67 O ATOM 1191 CB THR A 161 -16.497 29.587 -19.550 1.00 29.38 C ATOM 1192 OG1 THR A 161 -15.068 29.448 -19.525 1.00 27.70 O ATOM 1193 CG2 THR A 161 -16.846 31.112 -19.519 1.00 27.31 C ATOM 0 H THR A 161 -16.197 29.946 -16.981 1.00 25.30 H new ATOM 0 HA THR A 161 -18.057 28.755 -18.512 1.00 27.67 H new ATOM 0 HB THR A 161 -16.882 29.218 -20.360 1.00 29.38 H new ATOM 0 HG1 THR A 161 -14.767 29.777 -18.813 1.00 27.70 H new ATOM 0 HG21 THR A 161 -16.440 31.553 -20.282 1.00 27.31 H new ATOM 0 HG22 THR A 161 -17.809 31.225 -19.555 1.00 27.31 H new ATOM 0 HG23 THR A 161 -16.506 31.505 -18.700 1.00 27.31 H new ATOM 1194 N GLY A 162 -15.964 26.921 -17.235 1.00 29.95 N ATOM 1195 CA GLY A 162 -15.271 25.636 -17.142 1.00 31.98 C ATOM 1196 C GLY A 162 -13.887 25.721 -17.773 1.00 33.12 C ATOM 1197 O GLY A 162 -13.160 24.766 -17.769 1.00 33.21 O ATOM 0 H GLY A 162 -15.973 27.361 -16.496 1.00 29.95 H new ATOM 0 HA2 GLY A 162 -15.191 25.373 -16.212 1.00 31.98 H new ATOM 0 HA3 GLY A 162 -15.792 24.950 -17.587 1.00 31.98 H new ATOM 1198 N LYS A 163 -13.529 26.867 -18.344 1.00 35.28 N ATOM 1199 CA LYS A 163 -12.155 27.134 -18.822 1.00 35.07 C ATOM 1200 C LYS A 163 -11.638 28.367 -18.066 1.00 33.14 C ATOM 1201 O LYS A 163 -12.300 29.431 -18.005 1.00 34.64 O ATOM 1202 CB LYS A 163 -12.107 27.395 -20.330 1.00 41.61 C ATOM 1203 CG LYS A 163 -12.290 26.143 -21.168 1.00 49.45 C ATOM 1204 CD LYS A 163 -13.286 26.448 -22.267 1.00 61.87 C ATOM 1205 CE LYS A 163 -13.561 25.220 -23.112 1.00 68.13 C ATOM 1206 NZ LYS A 163 -13.434 25.657 -24.536 1.00 78.83 N ATOM 0 H LYS A 163 -14.073 27.521 -18.470 1.00 35.28 H new ATOM 0 HA LYS A 163 -11.603 26.354 -18.655 1.00 35.07 H new ATOM 0 HB2 LYS A 163 -12.798 28.035 -20.562 1.00 41.61 H new ATOM 0 HB3 LYS A 163 -11.256 27.803 -20.553 1.00 41.61 H new ATOM 0 HG2 LYS A 163 -11.442 25.864 -21.548 1.00 49.45 H new ATOM 0 HG3 LYS A 163 -12.608 25.411 -20.617 1.00 49.45 H new ATOM 0 HD2 LYS A 163 -14.115 26.768 -21.877 1.00 61.87 H new ATOM 0 HD3 LYS A 163 -12.944 27.161 -22.829 1.00 61.87 H new ATOM 0 HE2 LYS A 163 -12.930 24.512 -22.909 1.00 68.13 H new ATOM 0 HE3 LYS A 163 -14.448 24.869 -22.935 1.00 68.13 H new ATOM 0 HZ1 LYS A 163 -13.588 24.965 -25.074 1.00 78.83 H new ATOM 0 HZ2 LYS A 163 -14.026 26.300 -24.703 1.00 78.83 H new ATOM 0 HZ3 LYS A 163 -12.612 25.967 -24.680 1.00 78.83 H new ATOM 1207 N CYS A 164 -10.477 28.233 -17.457 1.00 24.69 N ATOM 1208 CA CYS A 164 -9.923 29.363 -16.723 1.00 20.33 C ATOM 1209 C CYS A 164 -8.504 28.892 -16.426 1.00 21.94 C ATOM 1210 O CYS A 164 -8.243 27.643 -16.381 1.00 20.68 O ATOM 1211 CB CYS A 164 -10.691 29.660 -15.394 1.00 22.07 C ATOM 1212 SG CYS A 164 -10.670 28.210 -14.280 1.00 24.15 S ATOM 0 H CYS A 164 -10.000 27.518 -17.452 1.00 24.69 H new ATOM 0 HA CYS A 164 -9.978 30.192 -17.224 1.00 20.33 H new ATOM 0 HB2 CYS A 164 -10.287 30.420 -14.947 1.00 22.07 H new ATOM 0 HB3 CYS A 164 -11.608 29.903 -15.595 1.00 22.07 H new ATOM 1213 N GLY A 165 -7.604 29.850 -16.216 1.00 15.61 N ATOM 1214 CA GLY A 165 -6.217 29.519 -15.852 1.00 15.66 C ATOM 1215 C GLY A 165 -5.907 29.998 -14.423 1.00 16.19 C ATOM 1216 O GLY A 165 -6.732 30.701 -13.811 1.00 16.31 O ATOM 0 H GLY A 165 -7.769 30.692 -16.277 1.00 15.61 H new ATOM 0 HA2 GLY A 165 -6.080 28.561 -15.915 1.00 15.66 H new ATOM 0 HA3 GLY A 165 -5.604 29.935 -16.479 1.00 15.66 H new ATOM 1217 N PRO A 166 -4.696 29.705 -13.914 1.00 15.98 N ATOM 1218 CA PRO A 166 -4.202 30.306 -12.694 1.00 14.86 C ATOM 1219 C PRO A 166 -4.109 31.811 -12.892 1.00 15.70 C ATOM 1220 O PRO A 166 -4.043 32.314 -14.060 1.00 14.18 O ATOM 1221 CB PRO A 166 -2.794 29.713 -12.510 1.00 17.08 C ATOM 1222 CG PRO A 166 -2.523 28.893 -13.749 1.00 19.74 C ATOM 1223 CD PRO A 166 -3.664 29.015 -14.705 1.00 17.28 C ATOM 0 HA PRO A 166 -4.772 30.136 -11.928 1.00 14.86 H new ATOM 0 HB2 PRO A 166 -2.132 30.415 -12.406 1.00 17.08 H new ATOM 0 HB3 PRO A 166 -2.751 29.162 -11.713 1.00 17.08 H new ATOM 0 HG2 PRO A 166 -1.704 29.194 -14.172 1.00 19.74 H new ATOM 0 HG3 PRO A 166 -2.392 27.963 -13.508 1.00 19.74 H new ATOM 0 HD2 PRO A 166 -3.418 29.524 -15.493 1.00 17.28 H new ATOM 0 HD3 PRO A 166 -3.969 28.147 -15.011 1.00 17.28 H new ATOM 1224 N THR A 167 -4.117 32.534 -11.785 1.00 13.92 N ATOM 1225 CA THR A 167 -4.112 34.009 -11.841 1.00 14.57 C ATOM 1226 C THR A 167 -3.093 34.513 -10.840 1.00 16.39 C ATOM 1227 O THR A 167 -2.631 33.757 -9.983 1.00 16.44 O ATOM 1228 CB THR A 167 -5.504 34.590 -11.498 1.00 13.22 C ATOM 1229 OG1 THR A 167 -5.797 34.242 -10.118 1.00 12.98 O ATOM 1230 CG2 THR A 167 -6.628 34.040 -12.451 1.00 13.53 C ATOM 0 H THR A 167 -4.125 32.204 -10.991 1.00 13.92 H new ATOM 0 HA THR A 167 -3.887 34.293 -12.741 1.00 14.57 H new ATOM 0 HB THR A 167 -5.488 35.552 -11.620 1.00 13.22 H new ATOM 0 HG1 THR A 167 -6.469 33.739 -10.092 1.00 12.98 H new ATOM 0 HG21 THR A 167 -7.482 34.428 -12.202 1.00 13.53 H new ATOM 0 HG22 THR A 167 -6.420 34.278 -13.368 1.00 13.53 H new ATOM 0 HG23 THR A 167 -6.677 33.075 -12.371 1.00 13.53 H new ATOM 1231 N GLU A 168 -2.744 35.795 -10.918 1.00 16.66 N ATOM 1232 CA GLU A 168 -1.925 36.397 -9.910 1.00 19.07 C ATOM 1233 C GLU A 168 -2.435 36.052 -8.481 1.00 17.92 C ATOM 1234 O GLU A 168 -1.630 35.763 -7.567 1.00 15.99 O ATOM 1235 CB GLU A 168 -1.964 37.920 -10.080 1.00 24.05 C ATOM 1236 CG GLU A 168 -0.764 38.608 -9.493 1.00 38.46 C ATOM 1237 CD GLU A 168 0.399 38.546 -10.454 1.00 53.91 C ATOM 1238 OE1 GLU A 168 0.701 39.650 -10.966 1.00 68.88 O ATOM 1239 OE2 GLU A 168 0.962 37.427 -10.742 1.00 51.50 O ATOM 0 H GLU A 168 -2.979 36.324 -11.554 1.00 16.66 H new ATOM 0 HA GLU A 168 -1.023 36.055 -10.011 1.00 19.07 H new ATOM 0 HB2 GLU A 168 -2.023 38.133 -11.024 1.00 24.05 H new ATOM 0 HB3 GLU A 168 -2.767 38.267 -9.660 1.00 24.05 H new ATOM 0 HG2 GLU A 168 -0.979 39.533 -9.295 1.00 38.46 H new ATOM 0 HG3 GLU A 168 -0.521 38.187 -8.654 1.00 38.46 H new ATOM 1240 N TYR A 169 -3.762 36.072 -8.308 1.00 14.14 N ATOM 1241 CA TYR A 169 -4.321 35.855 -6.972 1.00 14.49 C ATOM 1242 C TYR A 169 -4.263 34.368 -6.574 1.00 13.74 C ATOM 1243 O TYR A 169 -3.911 34.086 -5.435 1.00 13.50 O ATOM 1244 CB TYR A 169 -5.732 36.371 -6.891 1.00 13.11 C ATOM 1245 CG TYR A 169 -5.831 37.871 -7.072 1.00 12.96 C ATOM 1246 CD1 TYR A 169 -5.196 38.742 -6.196 1.00 13.24 C ATOM 1247 CD2 TYR A 169 -6.578 38.402 -8.134 1.00 13.95 C ATOM 1248 CE1 TYR A 169 -5.316 40.146 -6.355 1.00 15.30 C ATOM 1249 CE2 TYR A 169 -6.717 39.795 -8.309 1.00 15.29 C ATOM 1250 CZ TYR A 169 -6.053 40.662 -7.407 1.00 16.85 C ATOM 1251 OH TYR A 169 -6.169 42.040 -7.548 1.00 18.93 O ATOM 0 H TYR A 169 -4.339 36.205 -8.932 1.00 14.14 H new ATOM 0 HA TYR A 169 -3.777 36.353 -6.342 1.00 14.49 H new ATOM 0 HB2 TYR A 169 -6.269 35.933 -7.570 1.00 13.11 H new ATOM 0 HB3 TYR A 169 -6.109 36.129 -6.031 1.00 13.11 H new ATOM 0 HD1 TYR A 169 -4.686 38.400 -5.497 1.00 13.24 H new ATOM 0 HD2 TYR A 169 -6.990 37.824 -8.735 1.00 13.95 H new ATOM 0 HE1 TYR A 169 -4.900 40.720 -5.753 1.00 15.30 H new ATOM 0 HE2 TYR A 169 -7.234 40.137 -9.002 1.00 15.29 H new ATOM 0 HH TYR A 169 -6.570 42.216 -8.265 1.00 18.93 H new ATOM 1252 N SER A 170 -4.588 33.445 -7.488 1.00 13.42 N ATOM 1253 CA SER A 170 -4.539 32.029 -7.144 1.00 14.62 C ATOM 1254 C SER A 170 -3.098 31.666 -6.880 1.00 15.27 C ATOM 1255 O SER A 170 -2.838 30.820 -6.004 1.00 15.17 O ATOM 1256 CB SER A 170 -5.154 31.114 -8.216 1.00 13.15 C ATOM 1257 OG SER A 170 -4.342 30.998 -9.403 1.00 14.77 O ATOM 0 H SER A 170 -4.834 33.618 -8.294 1.00 13.42 H new ATOM 0 HA SER A 170 -5.083 31.888 -6.353 1.00 14.62 H new ATOM 0 HB2 SER A 170 -5.291 30.231 -7.838 1.00 13.15 H new ATOM 0 HB3 SER A 170 -6.028 31.456 -8.462 1.00 13.15 H new ATOM 0 HG SER A 170 -3.839 30.329 -9.334 1.00 14.77 H new ATOM 1258 N ARG A 171 -2.140 32.257 -7.640 1.00 13.36 N ATOM 1259 CA ARG A 171 -0.699 31.865 -7.443 1.00 14.53 C ATOM 1260 C ARG A 171 -0.212 32.243 -6.043 1.00 14.21 C ATOM 1261 O ARG A 171 0.693 31.578 -5.470 1.00 17.19 O ATOM 1262 CB ARG A 171 0.214 32.535 -8.494 1.00 14.67 C ATOM 1263 CG ARG A 171 0.036 31.830 -9.842 1.00 15.71 C ATOM 1264 CD ARG A 171 1.035 32.502 -10.818 1.00 16.62 C ATOM 1265 NE ARG A 171 0.786 31.919 -12.100 1.00 19.44 N ATOM 1266 CZ ARG A 171 0.056 32.469 -13.078 1.00 22.27 C ATOM 1267 NH1 ARG A 171 -0.540 33.686 -12.959 1.00 23.38 N ATOM 1268 NH2 ARG A 171 -0.062 31.750 -14.205 1.00 24.79 N ATOM 0 H ARG A 171 -2.283 32.853 -8.243 1.00 13.36 H new ATOM 0 HA ARG A 171 -0.651 30.902 -7.550 1.00 14.53 H new ATOM 0 HB2 ARG A 171 -0.007 33.476 -8.577 1.00 14.67 H new ATOM 0 HB3 ARG A 171 1.141 32.486 -8.211 1.00 14.67 H new ATOM 0 HG2 ARG A 171 0.216 30.880 -9.762 1.00 15.71 H new ATOM 0 HG3 ARG A 171 -0.875 31.920 -10.162 1.00 15.71 H new ATOM 0 HD2 ARG A 171 0.904 33.463 -10.842 1.00 16.62 H new ATOM 0 HD3 ARG A 171 1.951 32.348 -10.538 1.00 16.62 H new ATOM 0 HE ARG A 171 1.135 31.149 -12.256 1.00 19.44 H new ATOM 0 HH11 ARG A 171 -0.456 34.137 -12.232 1.00 23.38 H new ATOM 0 HH12 ARG A 171 -1.001 34.005 -13.611 1.00 23.38 H new ATOM 0 HH21 ARG A 171 0.321 30.982 -14.267 1.00 24.79 H new ATOM 0 HH22 ARG A 171 -0.520 32.057 -14.865 1.00 24.79 H new ATOM 1269 N PHE A 172 -0.814 33.269 -5.468 1.00 13.35 N ATOM 1270 CA PHE A 172 -0.475 33.657 -4.105 1.00 15.16 C ATOM 1271 C PHE A 172 -0.857 32.571 -3.092 1.00 13.88 C ATOM 1272 O PHE A 172 -0.044 32.216 -2.194 1.00 15.35 O ATOM 1273 CB PHE A 172 -1.127 35.006 -3.748 1.00 16.35 C ATOM 1274 CG PHE A 172 -1.305 35.188 -2.251 1.00 17.67 C ATOM 1275 CD1 PHE A 172 -0.202 35.604 -1.432 1.00 18.27 C ATOM 1276 CD2 PHE A 172 -2.552 34.943 -1.668 1.00 16.23 C ATOM 1277 CE1 PHE A 172 -0.371 35.752 -0.014 1.00 18.23 C ATOM 1278 CE2 PHE A 172 -2.691 35.046 -0.277 1.00 18.61 C ATOM 1279 CZ PHE A 172 -1.611 35.458 0.538 1.00 15.47 C ATOM 0 H PHE A 172 -1.418 33.753 -5.843 1.00 13.35 H new ATOM 0 HA PHE A 172 0.488 33.762 -4.059 1.00 15.16 H new ATOM 0 HB2 PHE A 172 -0.581 35.728 -4.096 1.00 16.35 H new ATOM 0 HB3 PHE A 172 -1.991 35.069 -4.184 1.00 16.35 H new ATOM 0 HD1 PHE A 172 0.625 35.778 -1.821 1.00 18.27 H new ATOM 0 HD2 PHE A 172 -3.281 34.714 -2.197 1.00 16.23 H new ATOM 0 HE1 PHE A 172 0.333 36.038 0.522 1.00 18.23 H new ATOM 0 HE2 PHE A 172 -3.508 34.840 0.117 1.00 18.61 H new ATOM 0 HZ PHE A 172 -1.733 35.533 1.457 1.00 15.47 H new ATOM 1280 N PHE A 173 -2.102 32.078 -3.181 1.00 13.27 N ATOM 1281 CA PHE A 173 -2.547 31.005 -2.250 1.00 13.97 C ATOM 1282 C PHE A 173 -1.679 29.750 -2.482 1.00 14.41 C ATOM 1283 O PHE A 173 -1.293 29.084 -1.523 1.00 15.35 O ATOM 1284 CB PHE A 173 -4.043 30.625 -2.431 1.00 11.75 C ATOM 1285 CG PHE A 173 -4.996 31.688 -1.947 1.00 13.12 C ATOM 1286 CD1 PHE A 173 -5.387 31.706 -0.574 1.00 12.85 C ATOM 1287 CD2 PHE A 173 -5.446 32.706 -2.808 1.00 13.27 C ATOM 1288 CE1 PHE A 173 -6.202 32.708 -0.078 1.00 13.13 C ATOM 1289 CE2 PHE A 173 -6.281 33.731 -2.310 1.00 14.52 C ATOM 1290 CZ PHE A 173 -6.642 33.731 -0.948 1.00 13.87 C ATOM 0 H PHE A 173 -2.692 32.336 -3.751 1.00 13.27 H new ATOM 0 HA PHE A 173 -2.445 31.346 -1.348 1.00 13.97 H new ATOM 0 HB2 PHE A 173 -4.214 30.451 -3.370 1.00 11.75 H new ATOM 0 HB3 PHE A 173 -4.220 29.800 -1.953 1.00 11.75 H new ATOM 0 HD1 PHE A 173 -5.089 31.034 -0.004 1.00 12.85 H new ATOM 0 HD2 PHE A 173 -5.194 32.704 -3.703 1.00 13.27 H new ATOM 0 HE1 PHE A 173 -6.457 32.708 0.816 1.00 13.13 H new ATOM 0 HE2 PHE A 173 -6.590 34.401 -2.877 1.00 14.52 H new ATOM 0 HZ PHE A 173 -7.178 34.415 -0.616 1.00 13.87 H new ATOM 1291 N LYS A 174 -1.428 29.430 -3.754 1.00 13.40 N ATOM 1292 CA LYS A 174 -0.606 28.260 -4.144 1.00 13.85 C ATOM 1293 C LYS A 174 0.861 28.353 -3.665 1.00 13.87 C ATOM 1294 O LYS A 174 1.416 27.349 -3.279 1.00 15.56 O ATOM 1295 CB LYS A 174 -0.660 28.008 -5.661 1.00 14.83 C ATOM 1296 CG LYS A 174 -0.353 26.570 -6.111 1.00 14.92 C ATOM 1297 CD LYS A 174 -1.263 25.563 -5.385 1.00 17.24 C ATOM 1298 CE LYS A 174 -1.161 24.165 -6.041 1.00 17.25 C ATOM 1299 NZ LYS A 174 -2.211 23.266 -5.444 1.00 18.57 N ATOM 0 H LYS A 174 -1.727 29.882 -4.422 1.00 13.40 H new ATOM 0 HA LYS A 174 -1.003 27.502 -3.688 1.00 13.85 H new ATOM 0 HB2 LYS A 174 -1.544 28.247 -5.980 1.00 14.83 H new ATOM 0 HB3 LYS A 174 -0.031 28.606 -6.094 1.00 14.83 H new ATOM 0 HG2 LYS A 174 -0.479 26.493 -7.070 1.00 14.92 H new ATOM 0 HG3 LYS A 174 0.577 26.361 -5.929 1.00 14.92 H new ATOM 0 HD2 LYS A 174 -1.010 25.506 -4.450 1.00 17.24 H new ATOM 0 HD3 LYS A 174 -2.182 25.872 -5.412 1.00 17.24 H new ATOM 0 HE2 LYS A 174 -1.286 24.235 -7.000 1.00 17.25 H new ATOM 0 HE3 LYS A 174 -0.278 23.791 -5.897 1.00 17.25 H new ATOM 0 HZ1 LYS A 174 -2.349 22.572 -5.983 1.00 18.57 H new ATOM 0 HZ2 LYS A 174 -1.935 22.974 -4.650 1.00 18.57 H new ATOM 0 HZ3 LYS A 174 -2.970 23.720 -5.346 1.00 18.57 H new ATOM 1300 N ARG A 175 1.455 29.533 -3.657 1.00 15.43 N ATOM 1301 CA ARG A 175 2.866 29.709 -3.250 1.00 17.93 C ATOM 1302 C ARG A 175 2.977 29.423 -1.725 1.00 19.59 C ATOM 1303 O ARG A 175 3.898 28.688 -1.301 1.00 16.21 O ATOM 1304 CB ARG A 175 3.275 31.145 -3.535 1.00 21.81 C ATOM 1305 CG ARG A 175 4.667 31.548 -3.092 1.00 27.97 C ATOM 1306 CD ARG A 175 5.105 32.910 -3.672 1.00 29.84 C ATOM 1307 NE ARG A 175 4.290 34.092 -3.324 1.00 34.47 N ATOM 1308 CZ ARG A 175 4.335 34.697 -2.118 1.00 38.41 C ATOM 1309 NH1 ARG A 175 5.112 34.193 -1.136 1.00 35.90 N ATOM 1310 NH2 ARG A 175 3.601 35.785 -1.868 1.00 36.33 N ATOM 0 H ARG A 175 1.063 30.264 -3.885 1.00 15.43 H new ATOM 0 HA ARG A 175 3.445 29.103 -3.739 1.00 17.93 H new ATOM 0 HB2 ARG A 175 3.203 31.298 -4.490 1.00 21.81 H new ATOM 0 HB3 ARG A 175 2.636 31.735 -3.105 1.00 21.81 H new ATOM 0 HG2 ARG A 175 4.695 31.589 -2.123 1.00 27.97 H new ATOM 0 HG3 ARG A 175 5.300 30.866 -3.365 1.00 27.97 H new ATOM 0 HD2 ARG A 175 6.016 33.079 -3.385 1.00 29.84 H new ATOM 0 HD3 ARG A 175 5.122 32.832 -4.639 1.00 29.84 H new ATOM 0 HE ARG A 175 3.759 34.411 -3.921 1.00 34.47 H new ATOM 0 HH11 ARG A 175 5.580 33.485 -1.278 1.00 35.90 H new ATOM 0 HH12 ARG A 175 5.140 34.580 -0.368 1.00 35.90 H new ATOM 0 HH21 ARG A 175 3.091 36.109 -2.480 1.00 36.33 H new ATOM 0 HH22 ARG A 175 3.639 36.161 -1.095 1.00 36.33 H new ATOM 1311 N LEU A 176 2.001 29.947 -0.941 1.00 17.49 N ATOM 1312 CA LEU A 176 1.947 29.738 0.519 1.00 18.60 C ATOM 1313 C LEU A 176 1.431 28.316 0.915 1.00 19.50 C ATOM 1314 O LEU A 176 1.899 27.739 1.961 1.00 17.82 O ATOM 1315 CB LEU A 176 1.148 30.833 1.243 1.00 19.45 C ATOM 1316 CG LEU A 176 1.540 32.321 1.199 1.00 23.07 C ATOM 1317 CD1 LEU A 176 1.545 32.887 2.601 1.00 27.77 C ATOM 1318 CD2 LEU A 176 2.884 32.533 0.563 1.00 24.20 C ATOM 0 H LEU A 176 1.358 30.430 -1.247 1.00 17.49 H new ATOM 0 HA LEU A 176 2.867 29.800 0.819 1.00 18.60 H new ATOM 0 HB2 LEU A 176 0.239 30.777 0.909 1.00 19.45 H new ATOM 0 HB3 LEU A 176 1.122 30.582 2.180 1.00 19.45 H new ATOM 0 HG LEU A 176 0.882 32.782 0.655 1.00 23.07 H new ATOM 0 HD11 LEU A 176 1.792 33.824 2.571 1.00 27.77 H new ATOM 0 HD12 LEU A 176 0.660 32.799 2.989 1.00 27.77 H new ATOM 0 HD13 LEU A 176 2.186 32.401 3.144 1.00 27.77 H new ATOM 0 HD21 LEU A 176 3.093 33.480 0.555 1.00 24.20 H new ATOM 0 HD22 LEU A 176 3.561 32.058 1.070 1.00 24.20 H new ATOM 0 HD23 LEU A 176 2.868 32.198 -0.347 1.00 24.20 H new ATOM 1319 N CYS A 177 0.432 27.795 0.186 1.00 16.95 N ATOM 1320 CA CYS A 177 -0.102 26.462 0.477 1.00 17.65 C ATOM 1321 C CYS A 177 -0.190 25.629 -0.774 1.00 17.13 C ATOM 1322 O CYS A 177 -1.287 25.469 -1.318 1.00 18.68 O ATOM 1323 CB CYS A 177 -1.485 26.567 1.154 1.00 14.51 C ATOM 1324 SG CYS A 177 -1.236 27.070 2.872 1.00 16.61 S ATOM 0 H CYS A 177 0.055 28.196 -0.475 1.00 16.95 H new ATOM 0 HA CYS A 177 0.509 26.022 1.089 1.00 17.65 H new ATOM 0 HB2 CYS A 177 -2.041 27.212 0.690 1.00 14.51 H new ATOM 0 HB3 CYS A 177 -1.947 25.715 1.115 1.00 14.51 H new ATOM 1325 N PRO A 178 0.943 25.028 -1.202 1.00 17.90 N ATOM 1326 CA PRO A 178 0.974 24.116 -2.377 1.00 20.02 C ATOM 1327 C PRO A 178 0.018 22.930 -2.276 1.00 20.65 C ATOM 1328 O PRO A 178 -0.475 22.484 -3.306 1.00 20.93 O ATOM 1329 CB PRO A 178 2.421 23.616 -2.443 1.00 19.02 C ATOM 1330 CG PRO A 178 3.083 24.098 -1.212 1.00 20.80 C ATOM 1331 CD PRO A 178 2.243 25.077 -0.489 1.00 17.90 C ATOM 0 HA PRO A 178 0.684 24.594 -3.170 1.00 20.02 H new ATOM 0 HB2 PRO A 178 2.451 22.648 -2.495 1.00 19.02 H new ATOM 0 HB3 PRO A 178 2.869 23.957 -3.233 1.00 19.02 H new ATOM 0 HG2 PRO A 178 3.276 23.345 -0.632 1.00 20.80 H new ATOM 0 HG3 PRO A 178 3.933 24.506 -1.440 1.00 20.80 H new ATOM 0 HD2 PRO A 178 2.145 24.839 0.446 1.00 17.90 H new ATOM 0 HD3 PRO A 178 2.630 25.966 -0.516 1.00 17.90 H new ATOM 1332 N ASP A 179 -0.291 22.461 -1.071 1.00 20.16 N ATOM 1333 CA ASP A 179 -1.172 21.285 -0.999 1.00 22.95 C ATOM 1334 C ASP A 179 -2.668 21.529 -0.882 1.00 20.27 C ATOM 1335 O ASP A 179 -3.377 20.612 -0.538 1.00 23.44 O ATOM 1336 CB ASP A 179 -0.787 20.411 0.187 1.00 30.27 C ATOM 1337 CG ASP A 179 0.497 19.648 -0.051 1.00 40.75 C ATOM 1338 OD1 ASP A 179 1.054 19.580 -1.205 1.00 47.53 O ATOM 1339 OD2 ASP A 179 0.947 19.079 0.935 1.00 42.66 O ATOM 0 H ASP A 179 -0.023 22.782 -0.320 1.00 20.16 H new ATOM 0 HA ASP A 179 -1.030 20.871 -1.865 1.00 22.95 H new ATOM 0 HB2 ASP A 179 -0.689 20.966 0.976 1.00 30.27 H new ATOM 0 HB3 ASP A 179 -1.504 19.784 0.369 1.00 30.27 H new ATOM 1340 N ALA A 180 -3.118 22.773 -1.066 1.00 16.34 N ATOM 1341 CA ALA A 180 -4.523 23.181 -1.025 1.00 14.98 C ATOM 1342 C ALA A 180 -4.911 23.626 -2.457 1.00 16.74 C ATOM 1343 O ALA A 180 -4.103 24.235 -3.172 1.00 17.52 O ATOM 1344 CB ALA A 180 -4.726 24.332 -0.023 1.00 14.32 C ATOM 0 H ALA A 180 -2.587 23.431 -1.225 1.00 16.34 H new ATOM 0 HA ALA A 180 -5.084 22.446 -0.732 1.00 14.98 H new ATOM 0 HB1 ALA A 180 -5.661 24.588 -0.010 1.00 14.32 H new ATOM 0 HB2 ALA A 180 -4.458 24.041 0.863 1.00 14.32 H new ATOM 0 HB3 ALA A 180 -4.187 25.093 -0.290 1.00 14.32 H new ATOM 1345 N PHE A 181 -6.111 23.301 -2.887 1.00 16.53 N ATOM 1346 CA PHE A 181 -6.684 23.916 -4.111 1.00 15.53 C ATOM 1347 C PHE A 181 -6.647 25.461 -4.094 1.00 14.93 C ATOM 1348 O PHE A 181 -7.077 26.072 -3.115 1.00 14.29 O ATOM 1349 CB PHE A 181 -8.129 23.476 -4.290 1.00 15.56 C ATOM 1350 CG PHE A 181 -8.256 22.080 -4.835 1.00 18.54 C ATOM 1351 CD1 PHE A 181 -8.297 20.978 -3.952 1.00 20.13 C ATOM 1352 CD2 PHE A 181 -8.377 21.864 -6.214 1.00 19.04 C ATOM 1353 CE1 PHE A 181 -8.448 19.676 -4.437 1.00 21.93 C ATOM 1354 CE2 PHE A 181 -8.489 20.553 -6.700 1.00 19.93 C ATOM 1355 CZ PHE A 181 -8.556 19.468 -5.813 1.00 19.99 C ATOM 0 H PHE A 181 -6.624 22.730 -2.500 1.00 16.53 H new ATOM 0 HA PHE A 181 -6.130 23.612 -4.847 1.00 15.53 H new ATOM 0 HB2 PHE A 181 -8.585 23.527 -3.436 1.00 15.56 H new ATOM 0 HB3 PHE A 181 -8.578 24.093 -4.889 1.00 15.56 H new ATOM 0 HD1 PHE A 181 -8.223 21.121 -3.036 1.00 20.13 H new ATOM 0 HD2 PHE A 181 -8.383 22.584 -6.802 1.00 19.04 H new ATOM 0 HE1 PHE A 181 -8.476 18.956 -3.849 1.00 21.93 H new ATOM 0 HE2 PHE A 181 -8.519 20.402 -7.617 1.00 19.93 H new ATOM 0 HZ PHE A 181 -8.673 18.607 -6.143 1.00 19.99 H new ATOM 1356 N SER A 182 -6.119 26.057 -5.158 1.00 15.04 N ATOM 1357 CA SER A 182 -5.976 27.517 -5.172 1.00 15.56 C ATOM 1358 C SER A 182 -7.017 28.152 -6.138 1.00 16.50 C ATOM 1359 O SER A 182 -7.267 29.351 -6.062 1.00 15.76 O ATOM 1360 CB SER A 182 -4.543 27.936 -5.500 1.00 15.53 C ATOM 1361 OG SER A 182 -4.267 27.578 -6.839 1.00 15.42 O ATOM 0 H SER A 182 -5.843 25.652 -5.865 1.00 15.04 H new ATOM 0 HA SER A 182 -6.160 27.854 -4.281 1.00 15.56 H new ATOM 0 HB2 SER A 182 -4.435 28.892 -5.377 1.00 15.53 H new ATOM 0 HB3 SER A 182 -3.918 27.501 -4.899 1.00 15.53 H new ATOM 0 HG SER A 182 -4.150 26.748 -6.889 1.00 15.42 H new ATOM 1362 N TYR A 183 -7.557 27.353 -7.061 1.00 16.34 N ATOM 1363 CA TYR A 183 -8.632 27.818 -7.992 1.00 18.75 C ATOM 1364 C TYR A 183 -9.332 26.558 -8.503 1.00 20.47 C ATOM 1365 O TYR A 183 -8.846 25.411 -8.261 1.00 19.57 O ATOM 1366 CB TYR A 183 -8.092 28.727 -9.153 1.00 17.13 C ATOM 1367 CG TYR A 183 -7.276 27.994 -10.214 1.00 18.14 C ATOM 1368 CD1 TYR A 183 -5.950 27.581 -9.970 1.00 17.92 C ATOM 1369 CD2 TYR A 183 -7.807 27.774 -11.515 1.00 18.79 C ATOM 1370 CE1 TYR A 183 -5.182 26.903 -10.947 1.00 19.30 C ATOM 1371 CE2 TYR A 183 -7.036 27.126 -12.496 1.00 19.11 C ATOM 1372 CZ TYR A 183 -5.738 26.704 -12.212 1.00 21.12 C ATOM 1373 OH TYR A 183 -4.998 26.057 -13.164 1.00 22.01 O ATOM 0 H TYR A 183 -7.324 26.533 -7.176 1.00 16.34 H new ATOM 0 HA TYR A 183 -9.258 28.393 -7.525 1.00 18.75 H new ATOM 0 HB2 TYR A 183 -8.845 29.160 -9.584 1.00 17.13 H new ATOM 0 HB3 TYR A 183 -7.543 29.429 -8.769 1.00 17.13 H new ATOM 0 HD1 TYR A 183 -5.568 27.760 -9.141 1.00 17.92 H new ATOM 0 HD2 TYR A 183 -8.668 28.060 -11.718 1.00 18.79 H new ATOM 0 HE1 TYR A 183 -4.326 26.597 -10.750 1.00 19.30 H new ATOM 0 HE2 TYR A 183 -7.395 26.978 -13.341 1.00 19.11 H new ATOM 0 HH TYR A 183 -5.443 26.001 -13.874 1.00 22.01 H new ATOM 1374 N VAL A 184 -10.470 26.751 -9.176 1.00 19.17 N ATOM 1375 CA VAL A 184 -11.403 25.619 -9.471 1.00 22.59 C ATOM 1376 C VAL A 184 -10.679 24.558 -10.301 1.00 21.10 C ATOM 1377 O VAL A 184 -10.765 23.376 -9.996 1.00 22.46 O ATOM 1378 CB VAL A 184 -12.736 26.169 -10.109 1.00 24.12 C ATOM 1379 CG1 VAL A 184 -13.627 25.056 -10.658 1.00 27.59 C ATOM 1380 CG2 VAL A 184 -13.506 27.036 -9.093 1.00 26.78 C ATOM 0 H VAL A 184 -10.730 27.515 -9.473 1.00 19.17 H new ATOM 0 HA VAL A 184 -11.677 25.171 -8.655 1.00 22.59 H new ATOM 0 HB VAL A 184 -12.481 26.721 -10.865 1.00 24.12 H new ATOM 0 HG11 VAL A 184 -14.431 25.443 -11.038 1.00 27.59 H new ATOM 0 HG12 VAL A 184 -13.148 24.567 -11.345 1.00 27.59 H new ATOM 0 HG13 VAL A 184 -13.869 24.451 -9.940 1.00 27.59 H new ATOM 0 HG21 VAL A 184 -14.322 27.366 -9.501 1.00 26.78 H new ATOM 0 HG22 VAL A 184 -13.728 26.502 -8.314 1.00 26.78 H new ATOM 0 HG23 VAL A 184 -12.954 27.787 -8.824 1.00 26.78 H new ATOM 1381 N LEU A 185 -9.834 24.946 -11.254 1.00 19.31 N ATOM 1382 CA LEU A 185 -9.256 23.905 -12.094 1.00 22.68 C ATOM 1383 C LEU A 185 -7.840 23.688 -11.761 1.00 23.84 C ATOM 1384 O LEU A 185 -7.093 23.286 -12.617 1.00 21.56 O ATOM 1385 CB LEU A 185 -9.398 24.200 -13.607 1.00 24.08 C ATOM 1386 CG LEU A 185 -10.723 24.551 -14.285 1.00 25.60 C ATOM 1387 CD1 LEU A 185 -10.499 24.347 -15.774 1.00 24.15 C ATOM 1388 CD2 LEU A 185 -12.018 23.902 -13.793 1.00 29.98 C ATOM 0 H LEU A 185 -9.594 25.754 -11.424 1.00 19.31 H new ATOM 0 HA LEU A 185 -9.761 23.098 -11.908 1.00 22.68 H new ATOM 0 HB2 LEU A 185 -8.792 24.933 -13.799 1.00 24.08 H new ATOM 0 HB3 LEU A 185 -9.055 23.419 -14.069 1.00 24.08 H new ATOM 0 HG LEU A 185 -10.918 25.468 -14.035 1.00 25.60 H new ATOM 0 HD11 LEU A 185 -11.314 24.557 -16.256 1.00 24.15 H new ATOM 0 HD12 LEU A 185 -9.785 24.930 -16.077 1.00 24.15 H new ATOM 0 HD13 LEU A 185 -10.254 23.423 -15.941 1.00 24.15 H new ATOM 0 HD21 LEU A 185 -12.764 24.226 -14.322 1.00 29.98 H new ATOM 0 HD22 LEU A 185 -11.952 22.939 -13.884 1.00 29.98 H new ATOM 0 HD23 LEU A 185 -12.160 24.129 -12.861 1.00 29.98 H new ATOM 1389 N ASP A 186 -7.438 23.954 -10.517 1.00 20.52 N ATOM 1390 CA ASP A 186 -6.071 23.659 -10.085 1.00 19.12 C ATOM 1391 C ASP A 186 -5.715 22.132 -10.217 1.00 21.78 C ATOM 1392 O ASP A 186 -6.603 21.255 -10.165 1.00 23.69 O ATOM 1393 CB ASP A 186 -5.984 24.144 -8.631 1.00 19.97 C ATOM 1394 CG ASP A 186 -4.570 24.406 -8.146 1.00 21.24 C ATOM 1395 OD1 ASP A 186 -3.597 24.032 -8.815 1.00 23.31 O ATOM 1396 OD2 ASP A 186 -4.431 24.935 -7.026 1.00 22.07 O ATOM 0 H ASP A 186 -7.938 24.303 -9.911 1.00 20.52 H new ATOM 0 HA ASP A 186 -5.424 24.109 -10.650 1.00 19.12 H new ATOM 0 HB2 ASP A 186 -6.502 24.959 -8.541 1.00 19.97 H new ATOM 0 HB3 ASP A 186 -6.395 23.481 -8.054 1.00 19.97 H new ATOM 1397 N LYS A 187 -4.452 21.810 -10.441 1.00 21.75 N ATOM 1398 CA LYS A 187 -4.054 20.388 -10.515 1.00 27.34 C ATOM 1399 C LYS A 187 -4.461 19.752 -9.158 1.00 28.59 C ATOM 1400 O LYS A 187 -4.093 20.268 -8.086 1.00 23.90 O ATOM 1401 CB LYS A 187 -2.553 20.235 -10.817 1.00 31.36 C ATOM 1402 CG LYS A 187 -2.076 18.782 -10.866 1.00 42.41 C ATOM 1403 CD LYS A 187 -0.685 18.645 -11.514 1.00 51.90 C ATOM 1404 CE LYS A 187 0.488 18.665 -10.522 1.00 53.41 C ATOM 1405 NZ LYS A 187 1.113 17.316 -10.347 1.00 51.44 N ATOM 0 H LYS A 187 -3.814 22.375 -10.552 1.00 21.75 H new ATOM 0 HA LYS A 187 -4.500 19.933 -11.246 1.00 27.34 H new ATOM 0 HB2 LYS A 187 -2.358 20.659 -11.667 1.00 31.36 H new ATOM 0 HB3 LYS A 187 -2.046 20.710 -10.140 1.00 31.36 H new ATOM 0 HG2 LYS A 187 -2.048 18.422 -9.966 1.00 42.41 H new ATOM 0 HG3 LYS A 187 -2.716 18.250 -11.364 1.00 42.41 H new ATOM 0 HD2 LYS A 187 -0.655 17.815 -12.015 1.00 51.90 H new ATOM 0 HD3 LYS A 187 -0.566 19.366 -12.152 1.00 51.90 H new ATOM 0 HE2 LYS A 187 1.160 19.292 -10.833 1.00 53.41 H new ATOM 0 HE3 LYS A 187 0.175 18.987 -9.662 1.00 53.41 H new ATOM 0 HZ1 LYS A 187 1.785 17.373 -9.767 1.00 51.44 H new ATOM 0 HZ2 LYS A 187 0.504 16.744 -10.040 1.00 51.44 H new ATOM 0 HZ3 LYS A 187 1.422 17.028 -11.130 1.00 51.44 H new ATOM 1406 N PRO A 188 -5.293 18.684 -9.193 1.00 31.42 N ATOM 1407 CA PRO A 188 -5.944 18.281 -7.914 1.00 31.68 C ATOM 1408 C PRO A 188 -4.943 17.927 -6.811 1.00 27.87 C ATOM 1409 O PRO A 188 -3.950 17.311 -7.069 1.00 25.96 O ATOM 1410 CB PRO A 188 -6.789 17.059 -8.313 1.00 32.63 C ATOM 1411 CG PRO A 188 -6.996 17.228 -9.803 1.00 36.68 C ATOM 1412 CD PRO A 188 -5.696 17.810 -10.315 1.00 33.10 C ATOM 0 HA PRO A 188 -6.464 19.006 -7.533 1.00 31.68 H new ATOM 0 HB2 PRO A 188 -6.331 16.229 -8.110 1.00 32.63 H new ATOM 0 HB3 PRO A 188 -7.634 17.040 -7.837 1.00 32.63 H new ATOM 0 HG2 PRO A 188 -7.193 16.379 -10.229 1.00 36.68 H new ATOM 0 HG3 PRO A 188 -7.743 17.818 -9.989 1.00 36.68 H new ATOM 0 HD2 PRO A 188 -5.036 17.123 -10.496 1.00 33.10 H new ATOM 0 HD3 PRO A 188 -5.820 18.308 -11.138 1.00 33.10 H new ATOM 1413 N THR A 189 -5.166 18.385 -5.600 1.00 27.76 N ATOM 1414 CA THR A 189 -4.313 17.922 -4.454 1.00 25.26 C ATOM 1415 C THR A 189 -5.081 16.981 -3.531 1.00 24.61 C ATOM 1416 O THR A 189 -4.794 16.859 -2.309 1.00 24.68 O ATOM 1417 CB THR A 189 -3.784 19.114 -3.675 1.00 25.47 C ATOM 1418 OG1 THR A 189 -4.903 19.951 -3.393 1.00 28.21 O ATOM 1419 CG2 THR A 189 -2.737 19.876 -4.526 1.00 28.81 C ATOM 0 H THR A 189 -5.781 18.949 -5.394 1.00 27.76 H new ATOM 0 HA THR A 189 -3.563 17.428 -4.822 1.00 25.26 H new ATOM 0 HB THR A 189 -3.349 18.835 -2.854 1.00 25.47 H new ATOM 0 HG1 THR A 189 -4.743 20.411 -2.709 1.00 28.21 H new ATOM 0 HG21 THR A 189 -2.403 20.636 -4.024 1.00 28.81 H new ATOM 0 HG22 THR A 189 -2.001 19.282 -4.742 1.00 28.81 H new ATOM 0 HG23 THR A 189 -3.151 20.188 -5.346 1.00 28.81 H new ATOM 1420 N THR A 190 -6.068 16.305 -4.131 1.00 24.05 N ATOM 1421 CA THR A 190 -6.906 15.319 -3.410 1.00 23.19 C ATOM 1422 C THR A 190 -6.069 14.138 -2.959 1.00 25.13 C ATOM 1423 O THR A 190 -5.225 13.658 -3.698 1.00 24.51 O ATOM 1424 CB THR A 190 -8.075 14.923 -4.323 1.00 28.27 C ATOM 1425 OG1 THR A 190 -8.755 16.138 -4.630 1.00 28.58 O ATOM 1426 CG2 THR A 190 -9.048 13.936 -3.679 1.00 23.18 C ATOM 0 H THR A 190 -6.274 16.400 -4.961 1.00 24.05 H new ATOM 0 HA THR A 190 -7.275 15.703 -2.599 1.00 23.19 H new ATOM 0 HB THR A 190 -7.730 14.468 -5.107 1.00 28.27 H new ATOM 0 HG1 THR A 190 -9.408 15.975 -5.133 1.00 28.58 H new ATOM 0 HG21 THR A 190 -9.759 13.728 -4.305 1.00 23.18 H new ATOM 0 HG22 THR A 190 -8.576 13.122 -3.445 1.00 23.18 H new ATOM 0 HG23 THR A 190 -9.427 14.331 -2.878 1.00 23.18 H new ATOM 1427 N VAL A 191 -6.273 13.725 -1.719 1.00 21.72 N ATOM 1428 CA VAL A 191 -5.701 12.480 -1.173 1.00 22.90 C ATOM 1429 C VAL A 191 -6.772 11.385 -1.160 1.00 22.29 C ATOM 1430 O VAL A 191 -7.938 11.600 -0.701 1.00 23.45 O ATOM 1431 CB VAL A 191 -5.164 12.728 0.257 1.00 21.29 C ATOM 1432 CG1 VAL A 191 -4.832 11.416 0.956 1.00 21.89 C ATOM 1433 CG2 VAL A 191 -3.958 13.674 0.216 1.00 21.38 C ATOM 0 H VAL A 191 -6.754 14.159 -1.153 1.00 21.72 H new ATOM 0 HA VAL A 191 -4.964 12.192 -1.733 1.00 22.90 H new ATOM 0 HB VAL A 191 -5.861 13.157 0.778 1.00 21.29 H new ATOM 0 HG11 VAL A 191 -4.498 11.600 1.848 1.00 21.89 H new ATOM 0 HG12 VAL A 191 -5.631 10.870 1.016 1.00 21.89 H new ATOM 0 HG13 VAL A 191 -4.154 10.942 0.449 1.00 21.89 H new ATOM 0 HG21 VAL A 191 -3.631 13.821 1.117 1.00 21.38 H new ATOM 0 HG22 VAL A 191 -3.254 13.279 -0.322 1.00 21.38 H new ATOM 0 HG23 VAL A 191 -4.224 14.522 -0.173 1.00 21.38 H new ATOM 1434 N THR A 192 -6.366 10.193 -1.623 1.00 20.94 N ATOM 1435 CA THR A 192 -7.266 9.020 -1.660 1.00 22.54 C ATOM 1436 C THR A 192 -6.914 8.142 -0.467 1.00 22.08 C ATOM 1437 O THR A 192 -5.749 7.755 -0.280 1.00 22.49 O ATOM 1438 CB THR A 192 -7.148 8.156 -2.951 1.00 25.33 C ATOM 1439 OG1 THR A 192 -7.184 8.990 -4.120 1.00 28.14 O ATOM 1440 CG2 THR A 192 -8.306 7.145 -2.985 1.00 25.32 C ATOM 0 H THR A 192 -5.574 10.040 -1.921 1.00 20.94 H new ATOM 0 HA THR A 192 -8.176 9.356 -1.640 1.00 22.54 H new ATOM 0 HB THR A 192 -6.301 7.682 -2.944 1.00 25.33 H new ATOM 0 HG1 THR A 192 -7.956 9.306 -4.215 1.00 28.14 H new ATOM 0 HG21 THR A 192 -8.239 6.603 -3.787 1.00 25.32 H new ATOM 0 HG22 THR A 192 -8.259 6.573 -2.203 1.00 25.32 H new ATOM 0 HG23 THR A 192 -9.151 7.621 -2.986 1.00 25.32 H new ATOM 1441 N CYS A 193 -7.915 7.844 0.336 1.00 21.17 N ATOM 1442 CA CYS A 193 -7.701 7.021 1.526 1.00 21.25 C ATOM 1443 C CYS A 193 -8.617 5.815 1.449 1.00 23.78 C ATOM 1444 O CYS A 193 -9.654 5.837 0.738 1.00 23.98 O ATOM 1445 CB CYS A 193 -8.133 7.755 2.791 1.00 22.10 C ATOM 1446 SG CYS A 193 -7.080 9.124 3.241 1.00 23.54 S ATOM 0 H CYS A 193 -8.726 8.103 0.218 1.00 21.17 H new ATOM 0 HA CYS A 193 -6.758 6.794 1.558 1.00 21.25 H new ATOM 0 HB2 CYS A 193 -9.038 8.083 2.669 1.00 22.10 H new ATOM 0 HB3 CYS A 193 -8.157 7.123 3.527 1.00 22.10 H new ATOM 1447 N PRO A 194 -8.314 4.802 2.280 1.00 24.82 N ATOM 1448 CA PRO A 194 -9.213 3.615 2.395 1.00 25.58 C ATOM 1449 C PRO A 194 -10.641 4.060 2.722 1.00 26.24 C ATOM 1450 O PRO A 194 -10.787 4.969 3.551 1.00 24.48 O ATOM 1451 CB PRO A 194 -8.602 2.852 3.586 1.00 29.25 C ATOM 1452 CG PRO A 194 -7.138 3.190 3.504 1.00 26.76 C ATOM 1453 CD PRO A 194 -7.061 4.650 3.039 1.00 24.33 C ATOM 0 HA PRO A 194 -9.272 3.088 1.583 1.00 25.58 H new ATOM 0 HB2 PRO A 194 -8.988 3.137 4.429 1.00 29.25 H new ATOM 0 HB3 PRO A 194 -8.753 1.897 3.514 1.00 29.25 H new ATOM 0 HG2 PRO A 194 -6.708 3.078 4.366 1.00 26.76 H new ATOM 0 HG3 PRO A 194 -6.681 2.603 2.881 1.00 26.76 H new ATOM 0 HD2 PRO A 194 -7.013 5.266 3.787 1.00 24.33 H new ATOM 0 HD3 PRO A 194 -6.281 4.814 2.486 1.00 24.33 H new ATOM 1454 N GLY A 195 -11.674 3.456 2.089 1.00 22.34 N ATOM 1455 CA GLY A 195 -13.099 3.687 2.476 1.00 24.13 C ATOM 1456 C GLY A 195 -13.292 3.523 3.952 1.00 23.65 C ATOM 1457 O GLY A 195 -12.656 2.667 4.524 1.00 21.50 O ATOM 0 H GLY A 195 -11.574 2.909 1.433 1.00 22.34 H new ATOM 0 HA2 GLY A 195 -13.369 4.580 2.209 1.00 24.13 H new ATOM 0 HA3 GLY A 195 -13.671 3.064 2.001 1.00 24.13 H new ATOM 1458 N SER A 196 -14.155 4.337 4.581 1.00 23.19 N ATOM 1459 CA SER A 196 -14.368 4.254 6.043 1.00 24.95 C ATOM 1460 C SER A 196 -13.120 4.541 6.904 1.00 27.41 C ATOM 1461 O SER A 196 -12.956 3.978 7.993 1.00 28.99 O ATOM 1462 CB SER A 196 -14.953 2.904 6.417 1.00 26.52 C ATOM 1463 OG SER A 196 -16.190 2.767 5.782 1.00 32.16 O ATOM 0 H SER A 196 -14.624 4.940 4.186 1.00 23.19 H new ATOM 0 HA SER A 196 -14.993 4.967 6.245 1.00 24.95 H new ATOM 0 HB2 SER A 196 -14.354 2.190 6.147 1.00 26.52 H new ATOM 0 HB3 SER A 196 -15.058 2.837 7.379 1.00 26.52 H new ATOM 0 HG SER A 196 -16.525 2.023 5.979 1.00 32.16 H new ATOM 1464 N SER A 197 -12.230 5.426 6.446 1.00 23.88 N ATOM 1465 CA SER A 197 -11.182 5.929 7.327 1.00 20.87 C ATOM 1466 C SER A 197 -11.771 6.854 8.404 1.00 19.57 C ATOM 1467 O SER A 197 -12.912 7.335 8.301 1.00 22.64 O ATOM 1468 CB SER A 197 -10.133 6.677 6.515 1.00 21.49 C ATOM 1469 OG SER A 197 -9.440 5.816 5.592 1.00 22.09 O ATOM 0 H SER A 197 -12.217 5.740 5.645 1.00 23.88 H new ATOM 0 HA SER A 197 -10.765 5.173 7.768 1.00 20.87 H new ATOM 0 HB2 SER A 197 -10.560 7.397 6.024 1.00 21.49 H new ATOM 0 HB3 SER A 197 -9.491 7.085 7.117 1.00 21.49 H new ATOM 0 HG SER A 197 -9.995 5.455 5.075 1.00 22.09 H new ATOM 1470 N ASN A 198 -10.993 7.138 9.437 1.00 18.86 N ATOM 1471 CA ASN A 198 -11.373 8.214 10.349 1.00 19.26 C ATOM 1472 C ASN A 198 -10.369 9.318 10.323 1.00 17.59 C ATOM 1473 O ASN A 198 -9.263 9.123 9.867 1.00 19.79 O ATOM 1474 CB ASN A 198 -11.480 7.710 11.769 1.00 19.76 C ATOM 1475 CG ASN A 198 -12.565 6.685 11.924 1.00 24.76 C ATOM 1476 OD1 ASN A 198 -13.718 6.852 11.463 1.00 21.38 O ATOM 1477 ND2 ASN A 198 -12.194 5.582 12.542 1.00 26.60 N ATOM 0 H ASN A 198 -10.258 6.734 9.628 1.00 18.86 H new ATOM 0 HA ASN A 198 -12.235 8.544 10.051 1.00 19.26 H new ATOM 0 HB2 ASN A 198 -10.632 7.325 12.039 1.00 19.76 H new ATOM 0 HB3 ASN A 198 -11.654 8.456 12.364 1.00 19.76 H new ATOM 0 HD21 ASN A 198 -12.754 4.937 12.643 1.00 26.60 H new ATOM 0 HD22 ASN A 198 -11.392 5.507 12.844 1.00 26.60 H new ATOM 1478 N TYR A 199 -10.721 10.475 10.889 1.00 16.38 N ATOM 1479 CA TYR A 199 -9.926 11.673 10.568 1.00 15.78 C ATOM 1480 C TYR A 199 -9.860 12.638 11.749 1.00 15.14 C ATOM 1481 O TYR A 199 -10.725 12.625 12.636 1.00 15.40 O ATOM 1482 CB TYR A 199 -10.559 12.467 9.372 1.00 17.71 C ATOM 1483 CG TYR A 199 -10.602 11.691 8.055 1.00 16.71 C ATOM 1484 CD1 TYR A 199 -9.437 11.564 7.231 1.00 16.83 C ATOM 1485 CD2 TYR A 199 -11.796 10.993 7.694 1.00 17.62 C ATOM 1486 CE1 TYR A 199 -9.497 10.780 6.060 1.00 17.05 C ATOM 1487 CE2 TYR A 199 -11.842 10.219 6.527 1.00 17.24 C ATOM 1488 CZ TYR A 199 -10.716 10.117 5.732 1.00 18.48 C ATOM 1489 OH TYR A 199 -10.824 9.374 4.540 1.00 20.21 O ATOM 0 H TYR A 199 -11.378 10.590 11.432 1.00 16.38 H new ATOM 0 HA TYR A 199 -9.039 11.353 10.342 1.00 15.78 H new ATOM 0 HB2 TYR A 199 -11.462 12.727 9.612 1.00 17.71 H new ATOM 0 HB3 TYR A 199 -10.055 13.285 9.237 1.00 17.71 H new ATOM 0 HD1 TYR A 199 -8.647 11.995 7.466 1.00 16.83 H new ATOM 0 HD2 TYR A 199 -12.548 11.053 8.238 1.00 17.62 H new ATOM 0 HE1 TYR A 199 -8.752 10.697 5.510 1.00 17.05 H new ATOM 0 HE2 TYR A 199 -12.625 9.777 6.289 1.00 17.24 H new ATOM 0 HH TYR A 199 -11.457 8.826 4.608 1.00 20.21 H new ATOM 1490 N ARG A 200 -8.854 13.520 11.692 1.00 15.33 N ATOM 1491 CA ARG A 200 -8.765 14.639 12.619 1.00 16.05 C ATOM 1492 C ARG A 200 -8.549 15.931 11.826 1.00 15.55 C ATOM 1493 O ARG A 200 -7.752 15.974 10.881 1.00 15.09 O ATOM 1494 CB ARG A 200 -7.660 14.411 13.643 1.00 16.34 C ATOM 1495 CG ARG A 200 -7.466 15.635 14.548 1.00 19.78 C ATOM 1496 CD ARG A 200 -6.323 15.376 15.554 1.00 20.11 C ATOM 1497 NE ARG A 200 -6.758 14.315 16.493 1.00 23.76 N ATOM 1498 CZ ARG A 200 -6.114 13.179 16.681 1.00 25.91 C ATOM 1499 NH1 ARG A 200 -5.004 12.939 16.021 1.00 28.51 N ATOM 1500 NH2 ARG A 200 -6.570 12.303 17.551 1.00 27.87 N ATOM 0 H ARG A 200 -8.214 13.482 11.119 1.00 15.33 H new ATOM 0 HA ARG A 200 -9.594 14.716 13.116 1.00 16.05 H new ATOM 0 HB2 ARG A 200 -7.876 13.637 14.186 1.00 16.34 H new ATOM 0 HB3 ARG A 200 -6.829 14.212 13.184 1.00 16.34 H new ATOM 0 HG2 ARG A 200 -7.261 16.415 14.009 1.00 19.78 H new ATOM 0 HG3 ARG A 200 -8.289 15.827 15.025 1.00 19.78 H new ATOM 0 HD2 ARG A 200 -5.518 15.104 15.087 1.00 20.11 H new ATOM 0 HD3 ARG A 200 -6.109 16.189 16.039 1.00 20.11 H new ATOM 0 HE ARG A 200 -7.477 14.449 16.945 1.00 23.76 H new ATOM 0 HH11 ARG A 200 -4.698 13.522 15.468 1.00 28.51 H new ATOM 0 HH12 ARG A 200 -4.583 12.199 16.142 1.00 28.51 H new ATOM 0 HH21 ARG A 200 -7.287 12.472 17.996 1.00 27.87 H new ATOM 0 HH22 ARG A 200 -6.151 11.562 17.675 1.00 27.87 H new ATOM 1501 N VAL A 201 -9.347 16.928 12.170 1.00 13.92 N ATOM 1502 CA VAL A 201 -9.115 18.273 11.641 1.00 15.51 C ATOM 1503 C VAL A 201 -8.543 19.135 12.799 1.00 14.04 C ATOM 1504 O VAL A 201 -9.231 19.301 13.825 1.00 16.20 O ATOM 1505 CB VAL A 201 -10.415 18.898 11.102 1.00 13.63 C ATOM 1506 CG1 VAL A 201 -10.176 20.310 10.599 1.00 15.40 C ATOM 1507 CG2 VAL A 201 -10.951 18.095 9.931 1.00 13.56 C ATOM 0 H VAL A 201 -10.020 16.856 12.700 1.00 13.92 H new ATOM 0 HA VAL A 201 -8.493 18.232 10.898 1.00 15.51 H new ATOM 0 HB VAL A 201 -11.048 18.903 11.837 1.00 13.63 H new ATOM 0 HG11 VAL A 201 -11.008 20.680 10.266 1.00 15.40 H new ATOM 0 HG12 VAL A 201 -9.846 20.861 11.326 1.00 15.40 H new ATOM 0 HG13 VAL A 201 -9.521 20.292 9.884 1.00 15.40 H new ATOM 0 HG21 VAL A 201 -11.769 18.503 9.606 1.00 13.56 H new ATOM 0 HG22 VAL A 201 -10.292 18.081 9.219 1.00 13.56 H new ATOM 0 HG23 VAL A 201 -11.136 17.187 10.218 1.00 13.56 H new ATOM 1508 N THR A 202 -7.368 19.720 12.610 1.00 12.88 N ATOM 1509 CA THR A 202 -6.769 20.560 13.675 1.00 13.89 C ATOM 1510 C THR A 202 -6.702 22.001 13.160 1.00 13.39 C ATOM 1511 O THR A 202 -6.022 22.258 12.141 1.00 14.46 O ATOM 1512 CB THR A 202 -5.337 20.055 14.084 1.00 12.66 C ATOM 1513 OG1 THR A 202 -5.396 18.642 14.380 1.00 14.55 O ATOM 1514 CG2 THR A 202 -4.813 20.796 15.341 1.00 14.35 C ATOM 0 H THR A 202 -6.899 19.654 11.892 1.00 12.88 H new ATOM 0 HA THR A 202 -7.321 20.507 14.471 1.00 13.89 H new ATOM 0 HB THR A 202 -4.736 20.230 13.343 1.00 12.66 H new ATOM 0 HG1 THR A 202 -5.348 18.204 13.665 1.00 14.55 H new ATOM 0 HG21 THR A 202 -3.930 20.464 15.568 1.00 14.35 H new ATOM 0 HG22 THR A 202 -4.763 21.747 15.159 1.00 14.35 H new ATOM 0 HG23 THR A 202 -5.417 20.641 16.084 1.00 14.35 H new ATOM 1515 N PHE A 203 -7.347 22.925 13.872 1.00 11.82 N ATOM 1516 CA PHE A 203 -7.146 24.355 13.586 1.00 13.52 C ATOM 1517 C PHE A 203 -5.881 24.835 14.252 1.00 13.31 C ATOM 1518 O PHE A 203 -5.584 24.408 15.369 1.00 13.25 O ATOM 1519 CB PHE A 203 -8.372 25.173 14.044 1.00 12.83 C ATOM 1520 CG PHE A 203 -9.662 24.695 13.427 1.00 14.35 C ATOM 1521 CD1 PHE A 203 -9.839 24.696 12.028 1.00 16.37 C ATOM 1522 CD2 PHE A 203 -10.740 24.277 14.243 1.00 16.20 C ATOM 1523 CE1 PHE A 203 -11.072 24.255 11.462 1.00 16.06 C ATOM 1524 CE2 PHE A 203 -11.953 23.861 13.682 1.00 15.44 C ATOM 1525 CZ PHE A 203 -12.113 23.834 12.292 1.00 15.82 C ATOM 0 H PHE A 203 -7.895 22.755 14.513 1.00 11.82 H new ATOM 0 HA PHE A 203 -7.052 24.481 12.629 1.00 13.52 H new ATOM 0 HB2 PHE A 203 -8.444 25.125 15.010 1.00 12.83 H new ATOM 0 HB3 PHE A 203 -8.236 26.106 13.816 1.00 12.83 H new ATOM 0 HD1 PHE A 203 -9.151 24.985 11.473 1.00 16.37 H new ATOM 0 HD2 PHE A 203 -10.641 24.279 15.168 1.00 16.20 H new ATOM 0 HE1 PHE A 203 -11.183 24.248 10.539 1.00 16.06 H new ATOM 0 HE2 PHE A 203 -12.655 23.602 14.235 1.00 15.44 H new ATOM 0 HZ PHE A 203 -12.912 23.536 11.921 1.00 15.82 H new ATOM 1526 N CYS A 204 -5.134 25.697 13.549 1.00 13.38 N ATOM 1527 CA CYS A 204 -3.805 26.177 13.976 1.00 13.86 C ATOM 1528 C CYS A 204 -2.856 25.039 14.416 1.00 15.16 C ATOM 1529 O CYS A 204 -2.452 24.990 15.608 1.00 14.40 O ATOM 1530 CB CYS A 204 -3.926 27.172 15.148 1.00 14.90 C ATOM 1531 SG CYS A 204 -5.006 28.584 14.779 1.00 16.59 S ATOM 0 H CYS A 204 -5.389 26.026 12.796 1.00 13.38 H new ATOM 0 HA CYS A 204 -3.427 26.608 13.194 1.00 13.86 H new ATOM 0 HB2 CYS A 204 -4.268 26.705 15.927 1.00 14.90 H new ATOM 0 HB3 CYS A 204 -3.043 27.500 15.379 1.00 14.90 H new ATOM 1532 N PRO A 205 -2.534 24.118 13.483 1.00 15.99 N ATOM 1533 CA PRO A 205 -1.779 22.904 13.820 1.00 18.14 C ATOM 1534 C PRO A 205 -0.362 23.224 14.336 1.00 21.34 C ATOM 1535 O PRO A 205 0.191 22.474 15.095 1.00 20.95 O ATOM 1536 CB PRO A 205 -1.710 22.142 12.480 1.00 18.20 C ATOM 1537 CG PRO A 205 -1.839 23.222 11.436 1.00 17.12 C ATOM 1538 CD PRO A 205 -2.823 24.204 12.020 1.00 16.71 C ATOM 0 HA PRO A 205 -2.200 22.399 14.533 1.00 18.14 H new ATOM 0 HB2 PRO A 205 -0.874 21.659 12.389 1.00 18.20 H new ATOM 0 HB3 PRO A 205 -2.424 21.490 12.406 1.00 18.20 H new ATOM 0 HG2 PRO A 205 -0.984 23.644 11.258 1.00 17.12 H new ATOM 0 HG3 PRO A 205 -2.158 22.862 10.594 1.00 17.12 H new ATOM 0 HD2 PRO A 205 -2.686 25.101 11.677 1.00 16.71 H new ATOM 0 HD3 PRO A 205 -3.740 23.960 11.818 1.00 16.71 H new ATOM 1539 N THR A 206 0.152 24.381 13.974 1.00 22.34 N ATOM 1540 CA THR A 206 1.508 24.822 14.355 1.00 33.99 C ATOM 1541 C THR A 206 1.493 25.631 15.676 1.00 40.20 C ATOM 1542 O THR A 206 2.427 25.522 16.452 1.00 49.34 O ATOM 1543 CB THR A 206 2.075 25.658 13.195 1.00 31.32 C ATOM 1544 OG1 THR A 206 2.351 24.747 12.152 1.00 37.86 O ATOM 1545 CG2 THR A 206 3.320 26.431 13.584 1.00 40.68 C ATOM 0 H THR A 206 -0.273 24.952 13.492 1.00 22.34 H new ATOM 0 HA THR A 206 2.072 24.049 14.516 1.00 33.99 H new ATOM 0 HB THR A 206 1.432 26.332 12.925 1.00 31.32 H new ATOM 0 HG1 THR A 206 2.663 25.162 11.492 1.00 37.86 H new ATOM 0 HG21 THR A 206 3.637 26.940 12.821 1.00 40.68 H new ATOM 0 HG22 THR A 206 3.111 27.037 14.312 1.00 40.68 H new ATOM 0 HG23 THR A 206 4.010 25.811 13.868 1.00 40.68 H new ATOM 1546 N ALA A 207 0.436 26.422 15.898 1.00 49.65 N ATOM 1547 CA ALA A 207 0.187 27.249 17.133 1.00 60.19 C ATOM 1548 C ALA A 207 1.126 27.055 18.359 1.00 69.98 C ATOM 1549 O ALA A 207 0.957 26.140 19.192 1.00 75.26 O ATOM 1550 CB ALA A 207 -1.275 27.143 17.560 1.00 42.79 C ATOM 0 H ALA A 207 -0.193 26.507 15.318 1.00 49.65 H new ATOM 0 HA ALA A 207 0.415 28.143 16.835 1.00 60.19 H new ATOM 0 HB1 ALA A 207 -1.420 27.680 18.355 1.00 42.79 H new ATOM 0 HB2 ALA A 207 -1.845 27.465 16.845 1.00 42.79 H new ATOM 0 HB3 ALA A 207 -1.490 26.217 17.752 1.00 42.79 H new TER 1551 ALA A 207 HETATM 1552 O1 TLA A 301 -10.723 46.114 -13.449 1.00 25.33 O HETATM 1553 O11 TLA A 301 -10.508 45.987 -11.291 1.00 24.39 O HETATM 1554 C1 TLA A 301 -10.381 45.501 -12.411 1.00 25.23 C HETATM 1555 C2 TLA A 301 -9.711 44.155 -12.503 1.00 19.93 C HETATM 1556 O2 TLA A 301 -9.269 43.941 -13.876 1.00 17.98 O HETATM 1557 C3 TLA A 301 -10.676 43.100 -12.007 1.00 17.70 C HETATM 1558 O3 TLA A 301 -11.847 43.064 -12.823 1.00 19.34 O HETATM 1559 C4 TLA A 301 -10.004 41.786 -12.198 1.00 16.70 C HETATM 1560 O4 TLA A 301 -10.433 41.023 -13.086 1.00 18.21 O HETATM 1561 O41 TLA A 301 -9.039 41.568 -11.476 1.00 18.99 O HETATM 0 HB TLA A 301 -11.903 42.315 -13.200 1.00 19.34 H new HETATM 0 HA TLA A 301 -9.585 44.543 -14.369 1.00 17.98 H new HETATM 0 H3 TLA A 301 -10.917 43.289 -11.087 1.00 17.70 H new HETATM 0 H2 TLA A 301 -8.921 44.105 -11.943 1.00 19.93 H new HETATM 1562 O HOH A 401 -14.770 7.586 5.988 1.00 20.89 O HETATM 1563 O HOH A 402 -1.839 21.235 -7.353 1.00 28.49 O HETATM 1564 O HOH A 403 -9.238 18.480 23.878 1.00 15.19 O HETATM 1565 O HOH A 404 -5.241 17.084 12.072 1.00 19.97 O HETATM 1566 O HOH A 405 -13.418 24.310 -2.593 1.00 24.22 O HETATM 1567 O HOH A 406 -2.726 29.000 -8.758 1.00 17.84 O HETATM 1568 O HOH A 407 -7.392 42.840 -9.804 1.00 23.07 O HETATM 1569 O HOH A 408 -14.309 30.736 -16.816 1.00 28.92 O HETATM 1570 O HOH A 409 -3.205 27.007 21.735 1.00 20.61 O HETATM 1571 O HOH A 410 -11.916 27.385 8.318 1.00 14.72 O HETATM 1572 O HOH A 411 -5.548 18.994 -0.567 1.00 17.96 O HETATM 1573 O HOH A 412 -17.355 28.416 2.587 1.00 23.21 O HETATM 1574 O HOH A 413 2.906 34.206 -5.654 1.00 28.77 O HETATM 1575 O HOH A 414 -17.805 2.513 -1.321 1.00 32.42 O HETATM 1576 O HOH A 415 2.360 29.992 -6.934 1.00 26.54 O HETATM 1577 O HOH A 416 -12.846 33.987 17.047 1.00 18.91 O HETATM 1578 O HOH A 417 -24.033 22.200 18.983 1.00 29.10 O HETATM 1579 O HOH A 418 -8.303 31.125 -4.227 1.00 21.07 O HETATM 1580 O HOH A 419 -11.729 27.793 0.680 1.00 14.26 O HETATM 1581 O HOH A 420 -17.353 6.363 6.187 1.00 21.03 O HETATM 1582 O HOH A 421 1.381 24.404 5.552 1.00 27.24 O HETATM 1583 O HOH A 422 -16.978 25.452 24.370 1.00 27.93 O HETATM 1584 O HOH A 423 -12.683 34.328 -18.581 1.00 23.92 O HETATM 1585 O HOH A 424 -7.994 32.571 -9.809 1.00 15.56 O HETATM 1586 O HOH A 425 -8.706 12.340 21.575 1.00 21.92 O HETATM 1587 O HOH A 426 -9.564 24.125 26.853 1.00 19.80 O HETATM 1588 O HOH A 427 -7.711 15.936 20.922 1.00 18.51 O HETATM 1589 O HOH A 428 0.161 23.408 1.688 1.00 20.42 O HETATM 1590 O HOH A 429 -23.014 31.222 11.518 1.00 20.05 O HETATM 1591 O HOH A 430 -5.899 33.500 -15.810 1.00 19.57 O HETATM 1592 O HOH A 431 -8.889 31.096 -12.048 1.00 14.50 O HETATM 1593 O HOH A 432 -29.739 19.594 8.787 1.00 33.67 O HETATM 1594 O HOH A 433 -11.002 30.808 -6.003 1.00 27.28 O HETATM 1595 O HOH A 434 -19.122 35.661 7.992 1.00 15.54 O HETATM 1596 O HOH A 435 -27.127 27.191 8.116 1.00 21.24 O HETATM 1597 O HOH A 436 -2.787 33.553 8.728 1.00 23.36 O HETATM 1598 O HOH A 437 -15.675 16.401 -1.624 1.00 26.94 O HETATM 1599 O HOH A 438 -10.418 29.983 24.035 1.00 26.27 O HETATM 1600 O HOH A 439 -16.674 18.846 -0.184 1.00 22.37 O HETATM 1601 O HOH A 440 -3.350 30.861 17.550 1.00 26.82 O HETATM 1602 O HOH A 441 1.188 36.015 -7.059 1.00 24.54 O HETATM 1603 O HOH A 442 -17.485 36.554 5.982 1.00 20.13 O HETATM 1604 O HOH A 443 -18.548 26.230 4.049 1.00 27.18 O HETATM 1605 O HOH A 444 -21.404 25.593 21.376 1.00 26.29 O HETATM 1606 O HOH A 445 -3.590 27.018 -2.207 1.00 16.90 O HETATM 1607 O HOH A 446 -18.714 39.032 -14.594 1.00 29.85 O HETATM 1608 O HOH A 447 3.844 31.882 6.327 1.00 30.46 O HETATM 1609 O HOH A 448 -24.980 25.832 1.201 1.00 27.32 O HETATM 1610 O HOH A 449 -7.979 33.545 -5.528 1.00 18.88 O HETATM 1611 O HOH A 450 -24.335 12.699 0.671 1.00 34.47 O HETATM 1612 O HOH A 451 -0.959 26.994 12.736 1.00 25.39 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 END