USER MOD reduce.3.24.130724 H: found=0, std=0, add=1183, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-JUN-05 2A1V TITLE CRYSTAL STRUCTURE OF DEINOCOCCUS RADIODURANS PROTEIN DR2400, TITLE 2 PFAM DOMAIN DUF419 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; SOURCE 3 ORGANISM_TAXID: 1299; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, NEW KEYWDS 2 YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS, NYSGXRC, KEYWDS 3 UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR U.A.RAMAGOPAL,Y.V.PATSKOVSKY,S.C.ALMO,S.K.BURLEY,NEW YORK AUTHOR 2 SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) REVDAT 2 24-FEB-09 2A1V 1 VERSN REVDAT 1 26-JUL-05 2A1V 0 JRNL AUTH U.A.RAMAGOPAL,Y.V.PATSKOVSKY,S.C.ALMO JRNL TITL HYPOTHETICAL PROTEIN FROM DEINOCOCCUS RADIODURANS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.15 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0005 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.15 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 7418 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) : 0.164 REMARK 3 R VALUE (WORKING SET) : 0.161 REMARK 3 FREE R VALUE : 0.225 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.600 REMARK 3 FREE R VALUE TEST SET COUNT : 355 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 40 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.15 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.18 REMARK 3 REFLECTION IN BIN (WORKING SET) : 263 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.2150 REMARK 3 BIN FREE R VALUE SET COUNT : 11 REMARK 3 BIN FREE R VALUE : 0.2370 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1153 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 111 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.71 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.77000 REMARK 3 B22 (A**2) : 0.77000 REMARK 3 B33 (A**2) : -1.16000 REMARK 3 B12 (A**2) : 0.39000 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): 0.260 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.204 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.145 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.538 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.959 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.913 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1194 ; 0.019 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 1099 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1633 ; 1.740 ; 1.995 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2586 ; 0.897 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 157 ; 6.046 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 54 ;38.920 ;24.259 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 221 ;17.078 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 8 ;20.878 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 185 ; 0.104 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1336 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 227 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 222 ; 0.207 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1080 ; 0.196 ; 0.200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 536 ; 0.172 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): 703 ; 0.088 ; 0.200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 96 ; 0.188 ; 0.200 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): 13 ; 0.169 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): 59 ; 0.249 ; 0.200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 20 ; 0.185 ; 0.200 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): 939 ; 1.364 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 293 ; 0.232 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1197 ; 1.578 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 517 ; 2.670 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 430 ; 3.889 ; 4.500 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 : BABINET MODEL WITH MASK 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: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 2A1V COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUN-05. REMARK 100 THE RCSB ID CODE IS RCSB033387. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-JAN-05 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X9A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.98 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MAR REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7775 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.150 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : 7.900 REMARK 200 R MERGE (I) : 0.09400 REMARK 200 R SYM (I) : 0.07100 REMARK 200 FOR THE DATA SET : 22.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.15 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.23 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 7.50 REMARK 200 R MERGE FOR SHELL (I) : 0.48000 REMARK 200 R SYM FOR SHELL (I) : 0.46000 REMARK 200 FOR SHELL : 4.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SHELXD, SHELXE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 44.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3350, SODIUM FORMATE 0.2 M, PH REMARK 280 6.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 11.99700 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 23.99400 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 17.99550 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 29.99250 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 5.99850 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 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 SER A 2 REMARK 465 HIS A 141 REMARK 465 HIS A 142 REMARK 465 HIS A 143 REMARK 465 HIS A 144 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 31 CB - CG - OD1 ANGL. DEV. = 5.4 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 HIS A 75 59.88 -143.62 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: NYSGXRC-T1777 RELATED DB: TARGETDB DBREF 2A1V A 1 134 UNP Q9RRT5 Q9RRT5_DEIRA 1 132 SEQADV 2A1V SER A 2 UNP Q9RRT5 CLONING ARTIFACT SEQADV 2A1V LEU A 3 UNP Q9RRT5 CLONING ARTIFACT SEQADV 2A1V GLU A 135 UNP Q9RRT5 CLONING ARTIFACT SEQADV 2A1V GLY A 136 UNP Q9RRT5 CLONING ARTIFACT SEQADV 2A1V GLY A 137 UNP Q9RRT5 CLONING ARTIFACT SEQADV 2A1V SER A 138 UNP Q9RRT5 CLONING ARTIFACT SEQADV 2A1V HIS A 139 UNP Q9RRT5 EXPRESSION TAG SEQADV 2A1V HIS A 140 UNP Q9RRT5 EXPRESSION TAG SEQADV 2A1V HIS A 141 UNP Q9RRT5 EXPRESSION TAG SEQADV 2A1V HIS A 142 UNP Q9RRT5 EXPRESSION TAG SEQADV 2A1V HIS A 143 UNP Q9RRT5 EXPRESSION TAG SEQADV 2A1V HIS A 144 UNP Q9RRT5 EXPRESSION TAG SEQRES 1 A 144 MET SER LEU GLN THR PRO MET GLN THR VAL ASP ASP LEU SEQRES 2 A 144 ARG SER VAL CYS ASP GLU LEU PRO HIS SER LEU GLU THR SEQRES 3 A 144 PHE PRO PHE ASP ASP GLU THR LEU VAL PHE LYS VAL GLY SEQRES 4 A 144 TYR LEU SER LYS SER ARG MET TYR ALA LEU THR ASP ILE SEQRES 5 A 144 THR GLN ASP PRO LEU ARG LEU SER LEU LYS VAL ASP PRO SEQRES 6 A 144 GLU ARG GLY GLU GLU LEU ARG GLN ALA HIS PRO GLN SER SEQRES 7 A 144 ILE ALA PRO GLY TYR HIS LEU ASN LYS LYS HIS TRP VAL SEQRES 8 A 144 THR VAL THR LEU ASP GLY THR VAL PRO ALA GLU LEU LEU SEQRES 9 A 144 GLY GLU LEU LEU ARG GLY SER TYR LEU LEU VAL THR LYS SEQRES 10 A 144 LYS GLY PHE THR LYS ALA GLU ARG LYS GLU LEU GLY LEU SEQRES 11 A 144 PRO ASP SER LEU GLU GLY GLY SER HIS HIS HIS HIS HIS SEQRES 12 A 144 HIS FORMUL 2 HOH *111(H2 O) HELIX 1 1 THR A 9 ASP A 18 1 10 HELIX 2 2 ASP A 64 HIS A 75 1 12 HELIX 3 3 PRO A 100 PHE A 120 1 21 HELIX 4 4 THR A 121 GLY A 129 1 9 SHEET 1 A 6 SER A 23 THR A 26 0 SHEET 2 A 6 THR A 33 TYR A 40 -1 O VAL A 35 N THR A 26 SHEET 3 A 6 LYS A 43 ASP A 51 -1 O ARG A 45 N VAL A 38 SHEET 4 A 6 ARG A 58 LYS A 62 -1 O SER A 60 N LEU A 49 SHEET 5 A 6 TRP A 90 THR A 94 -1 O VAL A 93 N LEU A 59 SHEET 6 A 6 ILE A 79 PRO A 81 -1 N ALA A 80 O THR A 92 CISPEP 1 ASP A 55 PRO A 56 0 1.88 CRYST1 82.549 82.549 35.991 90.00 90.00 120.00 P 61 6 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 0.012114 0.006994 0.000000 0.00000 SCALE2 0.000000 0.013988 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027785 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 Set 1.1: A 60 SER OG : rot 180:sc= 1.11 USER MOD Set 1.2: A 92 THR OG1 : rot -62:sc= 1.29 USER MOD Set 2.1: A 86 ASN : amide:sc= 0.0652 K(o=0.55,f=-7.4!) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -148:sc= 0.482 (180deg=0) USER MOD Set 3.1: A 78 SER OG : rot -127:sc= 3.37 USER MOD Set 3.2: A 98 THR OG1 : rot -93:sc= 2.19 USER MOD Set 4.1: A 17 CYS SG : rot 81:sc= 0.482 USER MOD Set 4.2: A 23 SER OG : rot 137:sc= 2.2 USER MOD Set 4.3: A 47 TYR OH : rot -15:sc= 1.31 USER MOD Single : A 4 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.68) USER MOD Single : A 5 THR OG1 : rot -170:sc= 0 USER MOD Single : A 7 MET CE :methyl -164:sc= 0 (180deg=-0.0719) USER MOD Single : A 8 GLN : amide:sc= 0.0149 X(o=0.015,f=0.25) USER MOD Single : A 9 THR OG1 : rot 124:sc= 0.176 USER MOD Single : A 15 SER OG : rot -50:sc= 1.95 USER MOD Single : A 22 HIS : no HD1:sc= 0.297 K(o=0.3,f=-2.6!) USER MOD Single : A 26 THR OG1 : rot -54:sc= 2.41 USER MOD Single : A 33 THR OG1 : rot 112:sc= 1.33 USER MOD Single : A 37 LYS NZ A:NH3+ -173:sc= 1.01 (180deg=0.981) USER MOD Single : A 37 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 168:sc= 1.28 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 1.93 (180deg=1.54) USER MOD Single : A 44 SER OG : rot 131:sc= -0.149 USER MOD Single : A 46 MET CE :methyl 137:sc= -4.17 (180deg=-5.77!) USER MOD Single : A 50 THR OG1 : rot 55:sc= 1.38 USER MOD Single : A 53 THR OG1 : rot -44:sc= 0.726 USER MOD Single : A 54 GLN : amide:sc= 2.09 X(o=2.1,f=1.7) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 0.372 (180deg=0.33) USER MOD Single : A 73 GLN A: amide:sc=-0.000502 X(o=-0.0005,f=0) USER MOD Single : A 73 GLN B: amide:sc= -2.13! C(o=-2.1!,f=-2.5!) USER MOD Single : A 75 HIS : no HE2:sc= 1.28 K(o=1.3,f=-1.3) USER MOD Single : A 77 GLN : amide:sc= 1.11 K(o=1.1,f=0.44) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc=-0.00118 X(o=-0.0012,f=0) USER MOD Single : A 87 LYS NZ A:NH3+ -163:sc= 1.36 (180deg=1.21) USER MOD Single : A 87 LYS NZ B:NH3+ 143:sc= 0.339 (180deg=-0.143) USER MOD Single : A 89 HIS : no HD1:sc= 1.07 K(o=1.1,f=-1.4) USER MOD Single : A 94 THR OG1 : rot 178:sc= 2.32 USER MOD Single : A 111 SER OG : rot -107:sc= 2 USER MOD Single : A 112 TYR OH : rot 174:sc= 1.03 USER MOD Single : A 116 THR OG1 : rot -24:sc= 1.13 USER MOD Single : A 117 LYS NZ :NH3+ -161:sc= 0.0131 (180deg=-0.255) USER MOD Single : A 118 LYS NZ :NH3+ -150:sc= 0.193 (180deg=0.0271) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 178:sc= 1.32 (180deg=1.32) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot -87:sc= 0.0198 USER MOD Single : A 139 HIS : no HD1:sc= 0.103 X(o=0.1,f=0.59) USER MOD Single : A 140 HIS : no HD1:sc= 0.0864 X(o=0.086,f=0.093) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 67.105 57.959 1.993 1.00 46.08 N ATOM 2 CA LEU A 3 65.726 58.326 2.420 1.00 45.98 C ATOM 3 C LEU A 3 65.040 57.283 3.334 1.00 44.42 C ATOM 4 O LEU A 3 65.503 56.148 3.544 1.00 44.24 O ATOM 5 CB LEU A 3 64.824 58.668 1.201 1.00 46.52 C ATOM 6 CG LEU A 3 64.454 57.653 0.084 1.00 48.31 C ATOM 7 CD1 LEU A 3 63.946 58.427 -1.150 1.00 49.72 C ATOM 8 CD2 LEU A 3 65.574 56.655 -0.356 1.00 48.95 C ATOM 0 HA LEU A 3 65.837 59.121 2.965 1.00 45.98 H new ATOM 0 HB2 LEU A 3 63.984 58.987 1.566 1.00 46.52 H new ATOM 0 HB3 LEU A 3 65.244 59.420 0.756 1.00 46.52 H new ATOM 0 HG LEU A 3 63.771 57.089 0.480 1.00 48.31 H new ATOM 0 HD11 LEU A 3 63.713 57.800 -1.852 1.00 49.72 H new ATOM 0 HD12 LEU A 3 63.163 58.946 -0.907 1.00 49.72 H new ATOM 0 HD13 LEU A 3 64.642 59.023 -1.468 1.00 49.72 H new ATOM 0 HD21 LEU A 3 65.233 56.073 -1.053 1.00 48.95 H new ATOM 0 HD22 LEU A 3 66.336 57.152 -0.693 1.00 48.95 H new ATOM 0 HD23 LEU A 3 65.849 56.120 0.405 1.00 48.95 H new ATOM 9 N GLN A 4 63.971 57.767 3.949 1.00 42.95 N ATOM 10 CA GLN A 4 62.900 56.951 4.487 1.00 40.53 C ATOM 11 C GLN A 4 62.520 55.838 3.520 1.00 38.50 C ATOM 12 O GLN A 4 61.965 56.074 2.424 1.00 39.16 O ATOM 13 CB GLN A 4 61.670 57.843 4.738 1.00 40.14 C ATOM 14 CG GLN A 4 60.841 57.453 5.918 1.00 40.78 C ATOM 15 CD GLN A 4 61.672 56.869 7.042 1.00 42.55 C ATOM 16 OE1 GLN A 4 62.362 57.601 7.757 1.00 41.41 O ATOM 17 NE2 GLN A 4 61.634 55.519 7.185 1.00 42.98 N ATOM 0 H GLN A 4 63.847 58.610 4.068 1.00 42.95 H new ATOM 0 HA GLN A 4 63.204 56.547 5.315 1.00 40.53 H new ATOM 0 HB2 GLN A 4 61.969 58.758 4.857 1.00 40.14 H new ATOM 0 HB3 GLN A 4 61.109 57.829 3.946 1.00 40.14 H new ATOM 0 HG2 GLN A 4 60.362 58.231 6.244 1.00 40.78 H new ATOM 0 HG3 GLN A 4 60.175 56.805 5.642 1.00 40.78 H new ATOM 0 HE21 GLN A 4 61.139 55.045 6.665 1.00 42.98 H new ATOM 0 HE22 GLN A 4 62.105 55.138 7.795 1.00 42.98 H new ATOM 18 N THR A 5 62.786 54.615 3.925 1.00 35.59 N ATOM 19 CA THR A 5 62.093 53.512 3.292 1.00 33.18 C ATOM 20 C THR A 5 60.642 53.529 3.785 1.00 32.82 C ATOM 21 O THR A 5 60.307 54.203 4.791 1.00 32.09 O ATOM 22 CB THR A 5 62.717 52.142 3.627 1.00 33.37 C ATOM 23 OG1 THR A 5 62.525 51.832 5.018 1.00 32.84 O ATOM 24 CG2 THR A 5 64.202 52.074 3.213 1.00 31.63 C ATOM 0 H THR A 5 63.345 54.403 4.544 1.00 35.59 H new ATOM 0 HA THR A 5 62.156 53.626 2.331 1.00 33.18 H new ATOM 0 HB THR A 5 62.259 51.463 3.107 1.00 33.37 H new ATOM 0 HG1 THR A 5 62.981 51.156 5.220 1.00 32.84 H new ATOM 0 HG21 THR A 5 64.561 51.201 3.438 1.00 31.63 H new ATOM 0 HG22 THR A 5 64.278 52.218 2.257 1.00 31.63 H new ATOM 0 HG23 THR A 5 64.701 52.760 3.684 1.00 31.63 H new ATOM 25 N PRO A 6 59.790 52.761 3.109 1.00 31.34 N ATOM 26 CA PRO A 6 58.406 52.539 3.529 1.00 30.48 C ATOM 27 C PRO A 6 58.192 51.761 4.856 1.00 29.11 C ATOM 28 O PRO A 6 57.048 51.601 5.246 1.00 29.27 O ATOM 29 CB PRO A 6 57.838 51.701 2.386 1.00 31.00 C ATOM 30 CG PRO A 6 58.835 51.855 1.255 1.00 32.26 C ATOM 31 CD PRO A 6 60.124 52.018 1.881 1.00 31.18 C ATOM 0 HA PRO A 6 57.989 53.398 3.702 1.00 30.48 H new ATOM 0 HB2 PRO A 6 57.742 50.771 2.646 1.00 31.00 H new ATOM 0 HB3 PRO A 6 56.958 52.014 2.124 1.00 31.00 H new ATOM 0 HG2 PRO A 6 58.826 51.077 0.676 1.00 32.26 H new ATOM 0 HG3 PRO A 6 58.618 52.622 0.703 1.00 32.26 H new ATOM 0 HD2 PRO A 6 60.541 51.164 2.077 1.00 31.18 H new ATOM 0 HD3 PRO A 6 60.740 52.511 1.317 1.00 31.18 H new ATOM 32 N MET A 7 59.256 51.250 5.485 1.00 27.45 N ATOM 33 CA MET A 7 59.177 50.377 6.675 1.00 26.25 C ATOM 34 C MET A 7 58.072 49.288 6.623 1.00 24.76 C ATOM 35 O MET A 7 57.191 49.187 7.504 1.00 22.37 O ATOM 36 CB MET A 7 59.036 51.211 7.924 1.00 25.96 C ATOM 37 CG MET A 7 60.255 52.075 8.209 1.00 29.53 C ATOM 38 SD MET A 7 61.741 51.149 8.671 1.00 30.35 S ATOM 39 CE MET A 7 61.298 50.699 10.354 1.00 30.79 C ATOM 0 H MET A 7 60.063 51.402 5.229 1.00 27.45 H new ATOM 0 HA MET A 7 60.013 49.885 6.687 1.00 26.25 H new ATOM 0 HB2 MET A 7 58.256 51.781 7.839 1.00 25.96 H new ATOM 0 HB3 MET A 7 58.878 50.625 8.681 1.00 25.96 H new ATOM 0 HG2 MET A 7 60.451 52.607 7.422 1.00 29.53 H new ATOM 0 HG3 MET A 7 60.038 52.694 8.924 1.00 29.53 H new ATOM 0 HE1 MET A 7 62.092 50.411 10.832 1.00 30.79 H new ATOM 0 HE2 MET A 7 60.911 51.467 10.803 1.00 30.79 H new ATOM 0 HE3 MET A 7 60.652 49.976 10.336 1.00 30.79 H new ATOM 40 N GLN A 8 58.127 48.503 5.562 1.00 23.48 N ATOM 41 CA GLN A 8 57.114 47.521 5.301 1.00 23.66 C ATOM 42 C GLN A 8 57.701 46.130 4.976 1.00 23.41 C ATOM 43 O GLN A 8 56.949 45.121 4.956 1.00 24.32 O ATOM 44 CB GLN A 8 56.143 48.045 4.222 1.00 23.58 C ATOM 45 CG GLN A 8 55.077 49.012 4.808 1.00 24.54 C ATOM 46 CD GLN A 8 53.964 49.417 3.844 1.00 25.43 C ATOM 47 OE1 GLN A 8 53.184 48.578 3.408 1.00 30.47 O ATOM 48 NE2 GLN A 8 53.887 50.710 3.513 1.00 25.66 N ATOM 0 H GLN A 8 58.756 48.530 4.976 1.00 23.48 H new ATOM 0 HA GLN A 8 56.603 47.383 6.114 1.00 23.66 H new ATOM 0 HB2 GLN A 8 56.647 48.503 3.531 1.00 23.58 H new ATOM 0 HB3 GLN A 8 55.698 47.294 3.798 1.00 23.58 H new ATOM 0 HG2 GLN A 8 54.675 48.594 5.586 1.00 24.54 H new ATOM 0 HG3 GLN A 8 55.525 49.815 5.117 1.00 24.54 H new ATOM 0 HE21 GLN A 8 54.451 51.271 3.838 1.00 25.66 H new ATOM 0 HE22 GLN A 8 53.273 50.980 2.975 1.00 25.66 H new ATOM 49 N THR A 9 59.015 46.054 4.730 1.00 21.07 N ATOM 50 CA THR A 9 59.651 44.783 4.408 1.00 21.14 C ATOM 51 C THR A 9 60.821 44.523 5.322 1.00 19.92 C ATOM 52 O THR A 9 61.354 45.417 5.938 1.00 18.88 O ATOM 53 CB THR A 9 60.220 44.756 2.940 1.00 22.04 C ATOM 54 OG1 THR A 9 61.281 45.720 2.821 1.00 23.31 O ATOM 55 CG2 THR A 9 59.123 45.065 1.871 1.00 20.63 C ATOM 0 H THR A 9 59.549 46.728 4.746 1.00 21.07 H new ATOM 0 HA THR A 9 58.960 44.110 4.511 1.00 21.14 H new ATOM 0 HB THR A 9 60.550 43.859 2.772 1.00 22.04 H new ATOM 0 HG1 THR A 9 61.978 45.338 2.549 1.00 23.31 H new ATOM 0 HG21 THR A 9 59.517 45.038 0.985 1.00 20.63 H new ATOM 0 HG22 THR A 9 58.417 44.403 1.931 1.00 20.63 H new ATOM 0 HG23 THR A 9 58.753 45.947 2.033 1.00 20.63 H new ATOM 56 N VAL A 10 61.255 43.283 5.327 1.00 19.75 N ATOM 57 CA VAL A 10 62.409 42.843 6.074 1.00 20.66 C ATOM 58 C VAL A 10 63.616 43.607 5.592 1.00 20.10 C ATOM 59 O VAL A 10 64.436 43.981 6.406 1.00 19.64 O ATOM 60 CB VAL A 10 62.643 41.289 5.906 1.00 20.53 C ATOM 61 CG1 VAL A 10 63.831 40.833 6.685 1.00 20.68 C ATOM 62 CG2 VAL A 10 61.433 40.533 6.375 1.00 22.72 C ATOM 0 H VAL A 10 60.875 42.653 4.882 1.00 19.75 H new ATOM 0 HA VAL A 10 62.260 43.015 7.017 1.00 20.66 H new ATOM 0 HB VAL A 10 62.801 41.115 4.965 1.00 20.53 H new ATOM 0 HG11 VAL A 10 63.951 39.878 6.564 1.00 20.68 H new ATOM 0 HG12 VAL A 10 64.622 41.300 6.372 1.00 20.68 H new ATOM 0 HG13 VAL A 10 63.694 41.024 7.626 1.00 20.68 H new ATOM 0 HG21 VAL A 10 61.585 39.581 6.269 1.00 22.72 H new ATOM 0 HG22 VAL A 10 61.270 40.731 7.310 1.00 22.72 H new ATOM 0 HG23 VAL A 10 60.662 40.798 5.849 1.00 22.72 H new ATOM 63 N ASP A 11 63.725 43.780 4.265 1.00 20.27 N ATOM 64 CA ASP A 11 64.812 44.553 3.629 1.00 22.00 C ATOM 65 C ASP A 11 64.880 45.956 4.209 1.00 21.76 C ATOM 66 O ASP A 11 65.972 46.427 4.490 1.00 21.22 O ATOM 67 CB ASP A 11 64.676 44.701 2.101 1.00 23.40 C ATOM 68 CG ASP A 11 63.944 43.520 1.418 1.00 27.67 C ATOM 69 OD1 ASP A 11 62.823 43.103 1.874 1.00 32.82 O ATOM 70 OD2 ASP A 11 64.462 43.033 0.391 1.00 31.54 O ATOM 0 H ASP A 11 63.165 43.449 3.702 1.00 20.27 H new ATOM 0 HA ASP A 11 65.615 44.042 3.814 1.00 22.00 H new ATOM 0 HB2 ASP A 11 64.198 45.522 1.906 1.00 23.40 H new ATOM 0 HB3 ASP A 11 65.561 44.789 1.714 1.00 23.40 H new ATOM 71 N ASP A 12 63.713 46.584 4.442 1.00 21.82 N ATOM 72 CA ASP A 12 63.621 47.904 5.095 1.00 21.96 C ATOM 73 C ASP A 12 64.241 47.881 6.533 1.00 22.22 C ATOM 74 O ASP A 12 64.969 48.793 6.947 1.00 19.25 O ATOM 75 CB ASP A 12 62.139 48.371 5.177 1.00 22.40 C ATOM 76 CG ASP A 12 61.544 48.763 3.802 1.00 25.12 C ATOM 77 OD1 ASP A 12 62.310 49.155 2.887 1.00 23.79 O ATOM 78 OD2 ASP A 12 60.287 48.739 3.654 1.00 27.36 O ATOM 0 H ASP A 12 62.950 46.253 4.224 1.00 21.82 H new ATOM 0 HA ASP A 12 64.128 48.529 4.553 1.00 21.96 H new ATOM 0 HB2 ASP A 12 61.603 47.661 5.564 1.00 22.40 H new ATOM 0 HB3 ASP A 12 62.078 49.131 5.777 1.00 22.40 H new ATOM 79 N LEU A 13 63.942 46.809 7.268 1.00 22.80 N ATOM 80 CA LEU A 13 64.396 46.645 8.635 1.00 23.26 C ATOM 81 C LEU A 13 65.887 46.358 8.710 1.00 23.61 C ATOM 82 O LEU A 13 66.569 46.936 9.548 1.00 22.61 O ATOM 83 CB LEU A 13 63.635 45.509 9.309 1.00 23.35 C ATOM 84 CG LEU A 13 62.102 45.606 9.403 1.00 23.20 C ATOM 85 CD1 LEU A 13 61.573 44.384 10.154 1.00 23.82 C ATOM 86 CD2 LEU A 13 61.638 46.884 10.077 1.00 20.55 C ATOM 0 H LEU A 13 63.465 46.154 6.978 1.00 22.80 H new ATOM 0 HA LEU A 13 64.224 47.482 9.095 1.00 23.26 H new ATOM 0 HB2 LEU A 13 63.850 44.689 8.837 1.00 23.35 H new ATOM 0 HB3 LEU A 13 63.981 45.417 10.211 1.00 23.35 H new ATOM 0 HG LEU A 13 61.747 45.627 8.501 1.00 23.20 H new ATOM 0 HD11 LEU A 13 60.607 44.437 10.218 1.00 23.82 H new ATOM 0 HD12 LEU A 13 61.821 43.577 9.676 1.00 23.82 H new ATOM 0 HD13 LEU A 13 61.955 44.361 11.045 1.00 23.82 H new ATOM 0 HD21 LEU A 13 60.669 46.898 10.112 1.00 20.55 H new ATOM 0 HD22 LEU A 13 61.994 46.922 10.978 1.00 20.55 H new ATOM 0 HD23 LEU A 13 61.954 47.650 9.572 1.00 20.55 H new ATOM 87 N ARG A 14 66.372 45.474 7.844 1.00 24.27 N ATOM 88 CA ARG A 14 67.795 45.239 7.694 1.00 25.35 C ATOM 89 C ARG A 14 68.529 46.530 7.411 1.00 25.18 C ATOM 90 O ARG A 14 69.546 46.802 7.999 1.00 26.25 O ATOM 91 CB ARG A 14 68.081 44.232 6.583 1.00 26.24 C ATOM 92 CG ARG A 14 67.687 42.838 6.899 1.00 27.18 C ATOM 93 CD ARG A 14 68.588 41.802 6.346 1.00 27.52 C ATOM 94 NE ARG A 14 68.239 40.503 6.873 1.00 29.68 N ATOM 95 CZ ARG A 14 67.390 39.688 6.316 1.00 30.44 C ATOM 96 NH1 ARG A 14 66.810 40.026 5.185 1.00 39.98 N ATOM 97 NH2 ARG A 14 67.133 38.530 6.866 1.00 34.13 N ATOM 0 H ARG A 14 65.880 44.994 7.327 1.00 24.27 H new ATOM 0 HA ARG A 14 68.114 44.871 8.533 1.00 25.35 H new ATOM 0 HB2 ARG A 14 67.616 44.513 5.780 1.00 26.24 H new ATOM 0 HB3 ARG A 14 69.030 44.250 6.382 1.00 26.24 H new ATOM 0 HG2 ARG A 14 67.649 42.736 7.863 1.00 27.18 H new ATOM 0 HG3 ARG A 14 66.791 42.684 6.562 1.00 27.18 H new ATOM 0 HD2 ARG A 14 68.526 41.793 5.378 1.00 27.52 H new ATOM 0 HD3 ARG A 14 69.508 42.012 6.569 1.00 27.52 H new ATOM 0 HE ARG A 14 68.617 40.251 7.603 1.00 29.68 H new ATOM 0 HH11 ARG A 14 66.992 40.782 4.817 1.00 39.98 H new ATOM 0 HH12 ARG A 14 66.249 39.491 4.813 1.00 39.98 H new ATOM 0 HH21 ARG A 14 67.525 38.305 7.598 1.00 34.13 H new ATOM 0 HH22 ARG A 14 66.572 37.993 6.496 1.00 34.13 H new ATOM 98 N SER A 15 67.981 47.327 6.513 1.00 24.80 N ATOM 99 CA SER A 15 68.629 48.543 6.101 1.00 25.36 C ATOM 100 C SER A 15 68.862 49.496 7.279 1.00 25.21 C ATOM 101 O SER A 15 69.825 50.280 7.258 1.00 25.81 O ATOM 102 CB SER A 15 67.864 49.249 4.940 1.00 25.41 C ATOM 103 OG SER A 15 66.714 49.992 5.390 1.00 30.24 O ATOM 0 H SER A 15 67.226 47.176 6.129 1.00 24.80 H new ATOM 0 HA SER A 15 69.501 48.290 5.758 1.00 25.36 H new ATOM 0 HB2 SER A 15 68.470 49.850 4.479 1.00 25.41 H new ATOM 0 HB3 SER A 15 67.580 48.583 4.295 1.00 25.41 H new ATOM 0 HG SER A 15 66.243 49.506 5.887 1.00 30.24 H new ATOM 104 N VAL A 16 67.969 49.474 8.266 1.00 23.74 N ATOM 105 CA VAL A 16 68.096 50.352 9.414 1.00 22.92 C ATOM 106 C VAL A 16 69.088 49.707 10.364 1.00 22.10 C ATOM 107 O VAL A 16 70.065 50.332 10.780 1.00 22.33 O ATOM 108 CB VAL A 16 66.736 50.594 10.086 1.00 23.30 C ATOM 109 CG1 VAL A 16 66.922 51.234 11.478 1.00 23.30 C ATOM 110 CG2 VAL A 16 65.878 51.474 9.181 1.00 22.83 C ATOM 0 H VAL A 16 67.283 48.956 8.286 1.00 23.74 H new ATOM 0 HA VAL A 16 68.416 51.226 9.141 1.00 22.92 H new ATOM 0 HB VAL A 16 66.284 49.746 10.217 1.00 23.30 H new ATOM 0 HG11 VAL A 16 66.054 51.379 11.886 1.00 23.30 H new ATOM 0 HG12 VAL A 16 67.448 50.642 12.039 1.00 23.30 H new ATOM 0 HG13 VAL A 16 67.381 52.083 11.385 1.00 23.30 H new ATOM 0 HG21 VAL A 16 65.018 51.629 9.602 1.00 22.83 H new ATOM 0 HG22 VAL A 16 66.325 52.323 9.036 1.00 22.83 H new ATOM 0 HG23 VAL A 16 65.745 51.030 8.329 1.00 22.83 H new ATOM 111 N CYS A 17 68.897 48.420 10.631 1.00 21.02 N ATOM 112 CA CYS A 17 69.705 47.713 11.652 1.00 20.71 C ATOM 113 C CYS A 17 71.169 47.475 11.242 1.00 20.23 C ATOM 114 O CYS A 17 72.019 47.425 12.084 1.00 18.35 O ATOM 115 CB CYS A 17 69.003 46.401 12.083 1.00 19.98 C ATOM 116 SG CYS A 17 67.415 46.724 12.800 1.00 18.13 S ATOM 0 H CYS A 17 68.309 47.929 10.239 1.00 21.02 H new ATOM 0 HA CYS A 17 69.758 48.306 12.418 1.00 20.71 H new ATOM 0 HB2 CYS A 17 68.900 45.819 11.314 1.00 19.98 H new ATOM 0 HB3 CYS A 17 69.559 45.930 12.723 1.00 19.98 H new ATOM 0 HG CYS A 17 66.607 46.884 11.928 1.00 18.13 H new ATOM 117 N ASP A 18 71.427 47.363 9.940 1.00 21.32 N ATOM 118 CA ASP A 18 72.771 47.176 9.394 1.00 22.40 C ATOM 119 C ASP A 18 73.681 48.360 9.752 1.00 23.20 C ATOM 120 O ASP A 18 74.889 48.198 9.803 1.00 24.56 O ATOM 121 CB ASP A 18 72.753 47.057 7.854 1.00 22.11 C ATOM 122 CG ASP A 18 72.382 45.671 7.348 1.00 22.24 C ATOM 123 OD1 ASP A 18 72.261 44.694 8.122 1.00 26.75 O ATOM 124 OD2 ASP A 18 72.203 45.557 6.132 1.00 22.28 O ATOM 0 H ASP A 18 70.814 47.394 9.338 1.00 21.32 H new ATOM 0 HA ASP A 18 73.109 46.355 9.784 1.00 22.40 H new ATOM 0 HB2 ASP A 18 72.123 47.702 7.496 1.00 22.11 H new ATOM 0 HB3 ASP A 18 73.628 47.294 7.510 1.00 22.11 H new ATOM 125 N GLU A 19 73.104 49.539 9.958 1.00 23.43 N ATOM 126 CA GLU A 19 73.862 50.742 10.347 1.00 23.83 C ATOM 127 C GLU A 19 74.131 50.925 11.856 1.00 22.35 C ATOM 128 O GLU A 19 74.822 51.884 12.246 1.00 21.81 O ATOM 129 CB GLU A 19 73.082 51.975 9.995 1.00 24.16 C ATOM 130 CG GLU A 19 72.458 51.997 8.665 1.00 28.66 C ATOM 131 CD GLU A 19 71.401 53.069 8.663 1.00 31.02 C ATOM 132 OE1 GLU A 19 70.989 53.416 9.824 1.00 43.31 O ATOM 133 OE2 GLU A 19 70.982 53.535 7.557 1.00 36.34 O ATOM 0 H GLU A 19 72.258 49.672 9.878 1.00 23.43 H new ATOM 0 HA GLU A 19 74.703 50.621 9.878 1.00 23.83 H new ATOM 0 HB2 GLU A 19 72.385 52.094 10.659 1.00 24.16 H new ATOM 0 HB3 GLU A 19 73.675 52.740 10.065 1.00 24.16 H new ATOM 0 HG2 GLU A 19 73.123 52.175 7.982 1.00 28.66 H new ATOM 0 HG3 GLU A 19 72.066 51.134 8.460 1.00 28.66 H new ATOM 134 N LEU A 20 73.509 50.087 12.686 1.00 20.84 N ATOM 135 CA LEU A 20 73.592 50.230 14.137 1.00 19.99 C ATOM 136 C LEU A 20 74.765 49.391 14.612 1.00 19.14 C ATOM 137 O LEU A 20 74.897 48.224 14.237 1.00 18.14 O ATOM 138 CB LEU A 20 72.308 49.785 14.795 1.00 19.34 C ATOM 139 CG LEU A 20 71.068 50.432 14.216 1.00 19.98 C ATOM 140 CD1 LEU A 20 69.757 49.855 14.785 1.00 16.73 C ATOM 141 CD2 LEU A 20 71.173 51.942 14.404 1.00 21.80 C ATOM 0 H LEU A 20 73.030 49.423 12.424 1.00 20.84 H new ATOM 0 HA LEU A 20 73.725 51.160 14.378 1.00 19.99 H new ATOM 0 HB2 LEU A 20 72.229 48.822 14.712 1.00 19.34 H new ATOM 0 HB3 LEU A 20 72.354 49.985 15.743 1.00 19.34 H new ATOM 0 HG LEU A 20 71.028 50.228 13.269 1.00 19.98 H new ATOM 0 HD11 LEU A 20 69.001 50.307 14.378 1.00 16.73 H new ATOM 0 HD12 LEU A 20 69.709 48.906 14.590 1.00 16.73 H new ATOM 0 HD13 LEU A 20 69.734 49.989 15.745 1.00 16.73 H new ATOM 0 HD21 LEU A 20 70.384 52.370 14.037 1.00 21.80 H new ATOM 0 HD22 LEU A 20 71.241 52.147 15.350 1.00 21.80 H new ATOM 0 HD23 LEU A 20 71.962 52.271 13.945 1.00 21.80 H new ATOM 142 N PRO A 21 75.670 50.018 15.385 1.00 19.22 N ATOM 143 CA PRO A 21 76.862 49.352 15.853 1.00 18.64 C ATOM 144 C PRO A 21 76.583 48.136 16.716 1.00 18.26 C ATOM 145 O PRO A 21 75.743 48.183 17.625 1.00 17.76 O ATOM 146 CB PRO A 21 77.588 50.449 16.675 1.00 17.57 C ATOM 147 CG PRO A 21 77.075 51.735 16.094 1.00 18.23 C ATOM 148 CD PRO A 21 75.640 51.436 15.834 1.00 19.17 C ATOM 0 HA PRO A 21 77.380 49.001 15.112 1.00 18.64 H new ATOM 0 HB2 PRO A 21 77.383 50.379 17.620 1.00 17.57 H new ATOM 0 HB3 PRO A 21 78.552 50.379 16.588 1.00 17.57 H new ATOM 0 HG2 PRO A 21 77.181 52.476 16.711 1.00 18.23 H new ATOM 0 HG3 PRO A 21 77.545 51.974 15.280 1.00 18.23 H new ATOM 0 HD2 PRO A 21 75.099 51.549 16.631 1.00 19.17 H new ATOM 0 HD3 PRO A 21 75.269 52.020 15.154 1.00 19.17 H new ATOM 149 N HIS A 22 77.339 47.088 16.414 1.00 17.27 N ATOM 150 CA HIS A 22 77.278 45.783 17.081 1.00 18.42 C ATOM 151 C HIS A 22 75.906 45.082 17.057 1.00 19.30 C ATOM 152 O HIS A 22 75.521 44.381 18.030 1.00 18.53 O ATOM 153 CB HIS A 22 77.799 45.900 18.486 1.00 19.10 C ATOM 154 CG HIS A 22 79.146 46.516 18.571 1.00 20.30 C ATOM 155 ND1 HIS A 22 80.300 45.821 18.261 1.00 21.50 N ATOM 156 CD2 HIS A 22 79.528 47.776 18.903 1.00 20.93 C ATOM 157 CE1 HIS A 22 81.338 46.621 18.436 1.00 21.61 C ATOM 158 NE2 HIS A 22 80.898 47.810 18.829 1.00 19.88 N ATOM 0 H HIS A 22 77.929 47.114 15.788 1.00 17.27 H new ATOM 0 HA HIS A 22 77.848 45.201 16.554 1.00 18.42 H new ATOM 0 HB2 HIS A 22 77.177 46.428 19.011 1.00 19.10 H new ATOM 0 HB3 HIS A 22 77.830 45.017 18.886 1.00 19.10 H new ATOM 0 HD2 HIS A 22 78.968 48.481 19.136 1.00 20.93 H new ATOM 0 HE1 HIS A 22 82.229 46.389 18.305 1.00 21.61 H new ATOM 0 HE2 HIS A 22 81.391 48.491 19.008 1.00 19.88 H new ATOM 159 N SER A 23 75.193 45.243 15.925 1.00 18.91 N ATOM 160 CA SER A 23 73.919 44.612 15.775 1.00 19.55 C ATOM 161 C SER A 23 74.172 43.295 15.045 1.00 19.43 C ATOM 162 O SER A 23 75.122 43.176 14.264 1.00 17.52 O ATOM 163 CB SER A 23 72.910 45.477 15.035 1.00 19.31 C ATOM 164 OG SER A 23 71.723 44.725 14.776 1.00 20.24 O ATOM 0 H SER A 23 75.447 45.714 15.251 1.00 18.91 H new ATOM 0 HA SER A 23 73.520 44.462 16.646 1.00 19.55 H new ATOM 0 HB2 SER A 23 72.696 46.262 15.563 1.00 19.31 H new ATOM 0 HB3 SER A 23 73.292 45.791 14.201 1.00 19.31 H new ATOM 0 HG SER A 23 71.049 45.200 14.938 1.00 20.24 H new ATOM 165 N LEU A 24 73.327 42.319 15.348 1.00 19.33 N ATOM 166 CA LEU A 24 73.485 40.923 14.874 1.00 20.65 C ATOM 167 C LEU A 24 72.089 40.306 14.670 1.00 20.42 C ATOM 168 O LEU A 24 71.189 40.481 15.509 1.00 19.38 O ATOM 169 CB LEU A 24 74.174 40.112 15.982 1.00 23.10 C ATOM 170 CG LEU A 24 75.495 40.609 16.629 1.00 26.37 C ATOM 171 CD1 LEU A 24 75.565 40.333 18.171 1.00 27.33 C ATOM 172 CD2 LEU A 24 76.690 39.973 15.901 1.00 30.10 C ATOM 0 H LEU A 24 72.632 42.438 15.841 1.00 19.33 H new ATOM 0 HA LEU A 24 73.997 40.911 14.050 1.00 20.65 H new ATOM 0 HB2 LEU A 24 73.529 40.004 16.699 1.00 23.10 H new ATOM 0 HB3 LEU A 24 74.348 39.228 15.622 1.00 23.10 H new ATOM 0 HG LEU A 24 75.525 41.573 16.530 1.00 26.37 H new ATOM 0 HD11 LEU A 24 76.408 40.663 18.521 1.00 27.33 H new ATOM 0 HD12 LEU A 24 74.831 40.787 18.615 1.00 27.33 H new ATOM 0 HD13 LEU A 24 75.499 39.379 18.332 1.00 27.33 H new ATOM 0 HD21 LEU A 24 77.516 40.282 16.304 1.00 30.10 H new ATOM 0 HD22 LEU A 24 76.637 39.007 15.974 1.00 30.10 H new ATOM 0 HD23 LEU A 24 76.672 40.228 14.965 1.00 30.10 H new ATOM 173 N GLU A 25 71.910 39.626 13.548 1.00 20.63 N ATOM 174 CA GLU A 25 70.710 38.900 13.230 1.00 20.55 C ATOM 175 C GLU A 25 70.842 37.434 13.581 1.00 20.15 C ATOM 176 O GLU A 25 71.882 36.820 13.373 1.00 20.65 O ATOM 177 CB GLU A 25 70.428 39.003 11.752 1.00 20.81 C ATOM 178 CG GLU A 25 70.065 40.402 11.316 1.00 21.00 C ATOM 179 CD GLU A 25 69.851 40.456 9.801 1.00 22.01 C ATOM 180 OE1 GLU A 25 69.602 39.389 9.224 1.00 24.41 O ATOM 181 OE2 GLU A 25 69.911 41.535 9.195 1.00 25.44 O ATOM 0 H GLU A 25 72.510 39.577 12.933 1.00 20.63 H new ATOM 0 HA GLU A 25 69.988 39.289 13.748 1.00 20.55 H new ATOM 0 HB2 GLU A 25 71.209 38.708 11.258 1.00 20.81 H new ATOM 0 HB3 GLU A 25 69.703 38.400 11.523 1.00 20.81 H new ATOM 0 HG2 GLU A 25 69.258 40.689 11.772 1.00 21.00 H new ATOM 0 HG3 GLU A 25 70.769 41.018 11.570 1.00 21.00 H new ATOM 182 N THR A 26 69.783 36.886 14.152 1.00 19.37 N ATOM 183 CA THR A 26 69.685 35.468 14.504 1.00 19.02 C ATOM 184 C THR A 26 68.221 35.038 14.419 1.00 18.38 C ATOM 185 O THR A 26 67.306 35.882 14.312 1.00 16.99 O ATOM 186 CB THR A 26 70.186 35.119 15.952 1.00 19.88 C ATOM 187 OG1 THR A 26 69.589 35.975 16.938 1.00 19.07 O ATOM 188 CG2 THR A 26 71.687 35.169 16.032 1.00 21.97 C ATOM 0 H THR A 26 69.078 37.336 14.354 1.00 19.37 H new ATOM 0 HA THR A 26 70.259 35.002 13.877 1.00 19.02 H new ATOM 0 HB THR A 26 69.905 34.211 16.146 1.00 19.88 H new ATOM 0 HG1 THR A 26 69.718 36.778 16.728 1.00 19.07 H new ATOM 0 HG21 THR A 26 71.971 34.950 16.933 1.00 21.97 H new ATOM 0 HG22 THR A 26 72.066 34.528 15.410 1.00 21.97 H new ATOM 0 HG23 THR A 26 71.994 36.061 15.804 1.00 21.97 H new ATOM 189 N PHE A 27 68.041 33.722 14.447 1.00 17.22 N ATOM 190 CA PHE A 27 66.746 33.059 14.505 1.00 18.46 C ATOM 191 C PHE A 27 66.793 32.076 15.704 1.00 19.07 C ATOM 192 O PHE A 27 67.014 30.898 15.513 1.00 17.52 O ATOM 193 CB PHE A 27 66.493 32.270 13.204 1.00 18.26 C ATOM 194 CG PHE A 27 66.153 33.116 12.011 1.00 17.40 C ATOM 195 CD1 PHE A 27 64.846 33.453 11.732 1.00 15.99 C ATOM 196 CD2 PHE A 27 67.138 33.547 11.156 1.00 17.74 C ATOM 197 CE1 PHE A 27 64.516 34.194 10.611 1.00 15.91 C ATOM 198 CE2 PHE A 27 66.820 34.320 10.021 1.00 18.27 C ATOM 199 CZ PHE A 27 65.516 34.627 9.748 1.00 18.09 C ATOM 0 H PHE A 27 68.699 33.168 14.432 1.00 17.22 H new ATOM 0 HA PHE A 27 66.034 33.709 14.609 1.00 18.46 H new ATOM 0 HB2 PHE A 27 67.284 31.747 12.999 1.00 18.26 H new ATOM 0 HB3 PHE A 27 65.769 31.642 13.357 1.00 18.26 H new ATOM 0 HD1 PHE A 27 64.172 33.176 12.309 1.00 15.99 H new ATOM 0 HD2 PHE A 27 68.025 33.326 11.328 1.00 17.74 H new ATOM 0 HE1 PHE A 27 63.627 34.402 10.435 1.00 15.91 H new ATOM 0 HE2 PHE A 27 67.497 34.621 9.458 1.00 18.27 H new ATOM 0 HZ PHE A 27 65.300 35.122 8.991 1.00 18.09 H new ATOM 200 N PRO A 28 66.690 32.589 16.952 1.00 19.64 N ATOM 201 CA PRO A 28 66.886 31.724 18.133 1.00 19.78 C ATOM 202 C PRO A 28 65.681 30.831 18.521 1.00 20.15 C ATOM 203 O PRO A 28 65.767 30.039 19.465 1.00 19.84 O ATOM 204 CB PRO A 28 67.172 32.741 19.261 1.00 19.94 C ATOM 205 CG PRO A 28 66.408 33.971 18.834 1.00 18.77 C ATOM 206 CD PRO A 28 66.374 33.986 17.333 1.00 18.81 C ATOM 0 HA PRO A 28 67.588 31.078 17.958 1.00 19.78 H new ATOM 0 HB2 PRO A 28 66.868 32.413 20.122 1.00 19.94 H new ATOM 0 HB3 PRO A 28 68.121 32.922 19.345 1.00 19.94 H new ATOM 0 HG2 PRO A 28 65.508 33.955 19.195 1.00 18.77 H new ATOM 0 HG3 PRO A 28 66.836 34.773 19.173 1.00 18.77 H new ATOM 0 HD2 PRO A 28 65.504 34.257 17.000 1.00 18.81 H new ATOM 0 HD3 PRO A 28 67.023 34.609 16.969 1.00 18.81 H new ATOM 207 N PHE A 29 64.571 30.991 17.823 1.00 21.08 N ATOM 208 CA PHE A 29 63.388 30.175 18.014 1.00 21.82 C ATOM 209 C PHE A 29 63.390 29.054 16.961 1.00 22.79 C ATOM 210 O PHE A 29 64.338 28.918 16.180 1.00 23.30 O ATOM 211 CB PHE A 29 62.175 31.109 17.981 1.00 23.51 C ATOM 212 CG PHE A 29 62.332 32.300 18.938 1.00 24.29 C ATOM 213 CD1 PHE A 29 62.712 32.091 20.258 1.00 27.78 C ATOM 214 CD2 PHE A 29 62.243 33.604 18.498 1.00 25.82 C ATOM 215 CE1 PHE A 29 62.907 33.178 21.150 1.00 28.91 C ATOM 216 CE2 PHE A 29 62.410 34.683 19.378 1.00 26.65 C ATOM 217 CZ PHE A 29 62.751 34.471 20.695 1.00 26.59 C ATOM 0 H PHE A 29 64.482 31.590 17.212 1.00 21.08 H new ATOM 0 HA PHE A 29 63.362 29.721 18.871 1.00 21.82 H new ATOM 0 HB2 PHE A 29 62.046 31.437 17.077 1.00 23.51 H new ATOM 0 HB3 PHE A 29 61.378 30.609 18.217 1.00 23.51 H new ATOM 0 HD1 PHE A 29 62.841 31.222 20.563 1.00 27.78 H new ATOM 0 HD2 PHE A 29 62.069 33.771 17.600 1.00 25.82 H new ATOM 0 HE1 PHE A 29 63.139 33.019 22.037 1.00 28.91 H new ATOM 0 HE2 PHE A 29 62.289 35.552 19.069 1.00 26.65 H new ATOM 0 HZ PHE A 29 62.875 35.191 21.271 1.00 26.59 H new ATOM 218 N ASP A 30 62.375 28.213 16.962 1.00 24.04 N ATOM 219 CA ASP A 30 62.221 27.192 15.903 1.00 23.66 C ATOM 220 C ASP A 30 61.483 27.686 14.685 1.00 23.27 C ATOM 221 O ASP A 30 61.592 27.082 13.624 1.00 23.12 O ATOM 222 CB ASP A 30 61.568 25.935 16.445 1.00 24.86 C ATOM 223 CG ASP A 30 62.562 25.078 17.162 1.00 27.46 C ATOM 224 OD1 ASP A 30 63.662 24.807 16.560 1.00 28.05 O ATOM 225 OD2 ASP A 30 62.270 24.743 18.332 1.00 29.37 O ATOM 0 H ASP A 30 61.757 28.204 17.560 1.00 24.04 H new ATOM 0 HA ASP A 30 63.122 26.983 15.610 1.00 23.66 H new ATOM 0 HB2 ASP A 30 60.849 26.176 17.049 1.00 24.86 H new ATOM 0 HB3 ASP A 30 61.170 25.434 15.716 1.00 24.86 H new ATOM 226 N ASP A 31 60.811 28.826 14.817 1.00 22.49 N ATOM 227 CA ASP A 31 60.112 29.443 13.694 1.00 21.99 C ATOM 228 C ASP A 31 60.962 30.485 12.920 1.00 21.55 C ATOM 229 O ASP A 31 62.227 30.541 13.076 1.00 22.33 O ATOM 230 CB ASP A 31 58.770 30.009 14.168 1.00 22.32 C ATOM 231 CG ASP A 31 58.893 31.250 15.143 1.00 22.59 C ATOM 232 OD1 ASP A 31 59.969 31.784 15.444 1.00 19.27 O ATOM 233 OD2 ASP A 31 57.836 31.693 15.626 1.00 24.57 O ATOM 0 H ASP A 31 60.747 29.262 15.556 1.00 22.49 H new ATOM 0 HA ASP A 31 59.942 28.746 13.041 1.00 21.99 H new ATOM 0 HB2 ASP A 31 58.250 30.271 13.392 1.00 22.32 H new ATOM 0 HB3 ASP A 31 58.275 29.306 14.617 1.00 22.32 H new ATOM 234 N GLU A 32 60.273 31.265 12.065 1.00 20.26 N ATOM 235 CA GLU A 32 60.894 32.274 11.240 1.00 19.71 C ATOM 236 C GLU A 32 60.989 33.624 11.937 1.00 19.14 C ATOM 237 O GLU A 32 61.015 34.656 11.281 1.00 18.19 O ATOM 238 CB GLU A 32 60.163 32.423 9.890 1.00 20.74 C ATOM 239 CG GLU A 32 59.479 31.155 9.290 1.00 21.41 C ATOM 240 CD GLU A 32 60.360 29.902 9.174 1.00 20.52 C ATOM 241 OE1 GLU A 32 61.555 29.903 9.520 1.00 21.39 O ATOM 242 OE2 GLU A 32 59.805 28.852 8.784 1.00 20.76 O ATOM 0 H GLU A 32 59.421 31.209 11.959 1.00 20.26 H new ATOM 0 HA GLU A 32 61.799 31.968 11.074 1.00 19.71 H new ATOM 0 HB2 GLU A 32 59.484 33.108 9.993 1.00 20.74 H new ATOM 0 HB3 GLU A 32 60.802 32.753 9.239 1.00 20.74 H new ATOM 0 HG2 GLU A 32 58.708 30.937 9.837 1.00 21.41 H new ATOM 0 HG3 GLU A 32 59.146 31.377 8.406 1.00 21.41 H new ATOM 243 N THR A 33 61.022 33.635 13.272 1.00 18.63 N ATOM 244 CA THR A 33 61.265 34.880 14.004 1.00 18.57 C ATOM 245 C THR A 33 62.758 35.362 13.920 1.00 18.01 C ATOM 246 O THR A 33 63.688 34.828 14.533 1.00 16.48 O ATOM 247 CB THR A 33 60.753 34.772 15.460 1.00 18.59 C ATOM 248 OG1 THR A 33 59.371 34.332 15.465 1.00 19.90 O ATOM 249 CG2 THR A 33 60.838 36.177 16.162 1.00 19.25 C ATOM 0 H THR A 33 60.908 32.941 13.767 1.00 18.63 H new ATOM 0 HA THR A 33 60.751 35.575 13.564 1.00 18.57 H new ATOM 0 HB THR A 33 61.304 34.132 15.937 1.00 18.59 H new ATOM 0 HG1 THR A 33 59.324 33.560 15.794 1.00 19.90 H new ATOM 0 HG21 THR A 33 60.516 36.103 17.074 1.00 19.25 H new ATOM 0 HG22 THR A 33 61.759 36.481 16.168 1.00 19.25 H new ATOM 0 HG23 THR A 33 60.291 36.815 15.677 1.00 19.25 H new ATOM 250 N LEU A 34 62.950 36.370 13.095 1.00 18.80 N ATOM 251 CA LEU A 34 64.180 37.128 13.020 1.00 18.65 C ATOM 252 C LEU A 34 64.327 38.061 14.244 1.00 17.99 C ATOM 253 O LEU A 34 63.442 38.861 14.565 1.00 16.30 O ATOM 254 CB LEU A 34 64.184 37.946 11.739 1.00 18.66 C ATOM 255 CG LEU A 34 65.437 38.754 11.402 1.00 19.65 C ATOM 256 CD1 LEU A 34 66.750 37.888 11.245 1.00 20.30 C ATOM 257 CD2 LEU A 34 65.150 39.540 10.135 1.00 20.18 C ATOM 0 H LEU A 34 62.348 36.642 12.544 1.00 18.80 H new ATOM 0 HA LEU A 34 64.930 36.513 13.019 1.00 18.65 H new ATOM 0 HB2 LEU A 34 64.014 37.341 11.000 1.00 18.66 H new ATOM 0 HB3 LEU A 34 63.436 38.562 11.779 1.00 18.66 H new ATOM 0 HG LEU A 34 65.624 39.341 12.151 1.00 19.65 H new ATOM 0 HD11 LEU A 34 67.497 38.469 11.033 1.00 20.30 H new ATOM 0 HD12 LEU A 34 66.930 37.420 12.075 1.00 20.30 H new ATOM 0 HD13 LEU A 34 66.629 37.243 10.531 1.00 20.30 H new ATOM 0 HD21 LEU A 34 65.930 40.064 9.896 1.00 20.18 H new ATOM 0 HD22 LEU A 34 64.940 38.926 9.414 1.00 20.18 H new ATOM 0 HD23 LEU A 34 64.396 40.132 10.285 1.00 20.18 H new ATOM 258 N VAL A 35 65.470 37.928 14.908 1.00 17.83 N ATOM 259 CA VAL A 35 65.784 38.678 16.121 1.00 17.02 C ATOM 260 C VAL A 35 67.058 39.505 15.909 1.00 16.22 C ATOM 261 O VAL A 35 68.083 39.013 15.469 1.00 15.45 O ATOM 262 CB VAL A 35 65.928 37.736 17.322 1.00 17.05 C ATOM 263 CG1 VAL A 35 66.100 38.526 18.617 1.00 17.71 C ATOM 264 CG2 VAL A 35 64.715 36.808 17.452 1.00 17.14 C ATOM 0 H VAL A 35 66.096 37.391 14.663 1.00 17.83 H new ATOM 0 HA VAL A 35 65.052 39.285 16.312 1.00 17.02 H new ATOM 0 HB VAL A 35 66.720 37.197 17.169 1.00 17.05 H new ATOM 0 HG11 VAL A 35 66.189 37.911 19.362 1.00 17.71 H new ATOM 0 HG12 VAL A 35 66.896 39.077 18.557 1.00 17.71 H new ATOM 0 HG13 VAL A 35 65.325 39.092 18.756 1.00 17.71 H new ATOM 0 HG21 VAL A 35 64.834 36.225 18.218 1.00 17.14 H new ATOM 0 HG22 VAL A 35 63.912 37.339 17.572 1.00 17.14 H new ATOM 0 HG23 VAL A 35 64.630 36.272 16.648 1.00 17.14 H new ATOM 265 N PHE A 36 66.938 40.792 16.167 1.00 16.29 N ATOM 266 CA PHE A 36 68.066 41.717 16.155 1.00 16.15 C ATOM 267 C PHE A 36 68.515 41.929 17.581 1.00 15.65 C ATOM 268 O PHE A 36 67.717 42.285 18.466 1.00 15.39 O ATOM 269 CB PHE A 36 67.709 43.056 15.506 1.00 16.07 C ATOM 270 CG PHE A 36 67.199 42.930 14.112 1.00 18.06 C ATOM 271 CD1 PHE A 36 65.844 42.738 13.867 1.00 16.57 C ATOM 272 CD2 PHE A 36 68.078 43.034 13.034 1.00 17.68 C ATOM 273 CE1 PHE A 36 65.352 42.618 12.565 1.00 16.77 C ATOM 274 CE2 PHE A 36 67.608 42.956 11.725 1.00 18.10 C ATOM 275 CZ PHE A 36 66.248 42.739 11.483 1.00 18.62 C ATOM 0 H PHE A 36 66.187 41.165 16.358 1.00 16.29 H new ATOM 0 HA PHE A 36 68.780 41.333 15.623 1.00 16.15 H new ATOM 0 HB2 PHE A 36 67.038 43.500 16.048 1.00 16.07 H new ATOM 0 HB3 PHE A 36 68.495 43.625 15.504 1.00 16.07 H new ATOM 0 HD1 PHE A 36 65.254 42.688 14.584 1.00 16.57 H new ATOM 0 HD2 PHE A 36 68.986 43.157 13.191 1.00 17.68 H new ATOM 0 HE1 PHE A 36 64.448 42.461 12.414 1.00 16.77 H new ATOM 0 HE2 PHE A 36 68.198 43.048 11.012 1.00 18.10 H new ATOM 0 HZ PHE A 36 65.935 42.675 10.610 1.00 18.62 H new ATOM 276 N ALYS A 37 69.803 41.687 17.802 0.50 15.64 N ATOM 277 N BLYS A 37 69.802 41.682 17.805 0.50 15.93 N ATOM 278 CA ALYS A 37 70.410 41.792 19.119 0.50 14.90 C ATOM 279 CA BLYS A 37 70.410 41.803 19.123 0.50 15.44 C ATOM 280 C ALYS A 37 71.607 42.734 19.007 0.50 14.92 C ATOM 281 C BLYS A 37 71.608 42.736 19.007 0.50 15.22 C ATOM 282 O ALYS A 37 72.200 42.882 17.928 0.50 14.63 O ATOM 283 O BLYS A 37 72.202 42.881 17.928 0.50 14.92 O ATOM 284 CB ALYS A 37 70.817 40.405 19.630 0.50 14.85 C ATOM 285 CB BLYS A 37 70.810 40.424 19.659 0.50 15.66 C ATOM 286 CG ALYS A 37 69.637 39.465 19.962 0.50 12.96 C ATOM 287 CG BLYS A 37 69.618 39.538 20.047 0.50 14.85 C ATOM 288 CD ALYS A 37 70.087 38.057 20.413 0.50 12.72 C ATOM 289 CD BLYS A 37 69.986 38.075 20.365 0.50 14.45 C ATOM 290 CE ALYS A 37 68.974 37.247 21.100 0.50 12.60 C ATOM 291 CE BLYS A 37 70.507 37.910 21.799 0.50 15.06 C ATOM 292 NZ ALYS A 37 69.328 35.817 21.495 0.50 5.89 N ATOM 293 NZ BLYS A 37 71.046 36.545 22.180 0.50 13.70 N ATOM 0 H ALYS A 37 70.353 41.455 17.183 0.50 15.93 H new ATOM 0 H BLYS A 37 70.351 41.437 17.190 0.50 15.93 H new ATOM 0 HA ALYS A 37 69.780 42.151 19.763 0.50 15.44 H new ATOM 0 HA BLYS A 37 69.777 42.175 19.757 0.50 15.44 H new ATOM 0 HB2ALYS A 37 71.375 39.979 18.961 0.50 15.66 H new ATOM 0 HB2BLYS A 37 71.337 39.966 18.986 0.50 15.66 H new ATOM 0 HB3ALYS A 37 71.361 40.514 20.426 0.50 15.66 H new ATOM 0 HB3BLYS A 37 71.381 40.541 20.435 0.50 15.66 H new ATOM 0 HG2ALYS A 37 69.099 39.866 20.663 0.50 14.85 H new ATOM 0 HG2BLYS A 37 69.180 39.925 20.821 0.50 14.85 H new ATOM 0 HG3ALYS A 37 69.068 39.381 19.181 0.50 14.85 H new ATOM 0 HG3BLYS A 37 68.973 39.547 19.322 0.50 14.85 H new ATOM 0 HD2ALYS A 37 70.406 37.564 19.641 0.50 14.45 H new ATOM 0 HD2BLYS A 37 69.206 37.512 20.238 0.50 14.45 H new ATOM 0 HD3ALYS A 37 70.836 38.145 21.023 0.50 14.45 H new ATOM 0 HD3BLYS A 37 70.661 37.769 19.739 0.50 14.45 H new ATOM 0 HE2ALYS A 37 68.698 37.724 21.898 0.50 15.06 H new ATOM 0 HE2BLYS A 37 71.210 38.563 21.942 0.50 15.06 H new ATOM 0 HE3ALYS A 37 68.207 37.219 20.507 0.50 15.06 H new ATOM 0 HE3BLYS A 37 69.786 38.131 22.409 0.50 15.06 H new ATOM 0 HZ1ALYS A 37 68.598 35.401 21.789 0.50 13.70 H new ATOM 0 HZ1BLYS A 37 71.320 36.559 23.027 0.50 13.70 H new ATOM 0 HZ2ALYS A 37 69.651 35.385 20.787 0.50 13.70 H new ATOM 0 HZ2BLYS A 37 70.404 35.935 22.086 0.50 13.70 H new ATOM 0 HZ3ALYS A 37 69.942 35.830 22.140 0.50 13.70 H new ATOM 0 HZ3BLYS A 37 71.731 36.338 21.651 0.50 13.70 H new ATOM 294 N VAL A 38 71.924 43.398 20.111 1.00 14.86 N ATOM 295 CA VAL A 38 73.071 44.276 20.194 1.00 15.73 C ATOM 296 C VAL A 38 73.990 43.826 21.333 1.00 15.67 C ATOM 297 O VAL A 38 73.536 43.430 22.426 1.00 16.10 O ATOM 298 CB VAL A 38 72.628 45.769 20.379 1.00 15.94 C ATOM 299 CG1 VAL A 38 71.735 45.942 21.596 1.00 14.72 C ATOM 300 CG2 VAL A 38 73.797 46.699 20.506 1.00 14.68 C ATOM 0 H AVAL A 38 71.471 43.348 20.840 0.50 14.86 H new ATOM 0 H BVAL A 38 71.471 43.347 20.840 0.50 14.86 H new ATOM 0 HA VAL A 38 73.563 44.223 19.360 1.00 15.73 H new ATOM 0 HB VAL A 38 72.132 45.997 19.577 1.00 15.94 H new ATOM 0 HG11 VAL A 38 71.480 46.874 21.681 1.00 14.72 H new ATOM 0 HG12 VAL A 38 70.939 45.398 21.493 1.00 14.72 H new ATOM 0 HG13 VAL A 38 72.215 45.665 22.392 1.00 14.72 H new ATOM 0 HG21 VAL A 38 73.477 47.608 20.618 1.00 14.68 H new ATOM 0 HG22 VAL A 38 74.329 46.447 21.277 1.00 14.68 H new ATOM 0 HG23 VAL A 38 74.342 46.645 19.705 1.00 14.68 H new ATOM 301 N GLY A 39 75.284 43.883 21.059 1.00 17.03 N ATOM 302 CA GLY A 39 76.298 43.713 22.088 1.00 18.85 C ATOM 303 C GLY A 39 77.471 42.864 21.697 1.00 20.19 C ATOM 304 O GLY A 39 77.811 42.791 20.543 1.00 20.95 O ATOM 0 H GLY A 39 75.600 44.021 20.271 1.00 17.03 H new ATOM 0 HA2 GLY A 39 76.624 44.589 22.348 1.00 18.85 H new ATOM 0 HA3 GLY A 39 75.881 43.321 22.871 1.00 18.85 H new ATOM 305 N TYR A 40 78.129 42.262 22.682 1.00 21.84 N ATOM 306 CA TYR A 40 79.274 41.378 22.398 1.00 21.72 C ATOM 307 C TYR A 40 78.715 40.075 21.831 1.00 22.58 C ATOM 308 O TYR A 40 77.538 39.709 22.009 1.00 23.24 O ATOM 309 CB TYR A 40 80.126 41.076 23.668 1.00 21.78 C ATOM 310 CG TYR A 40 80.568 42.288 24.521 1.00 22.93 C ATOM 311 CD1 TYR A 40 79.668 42.903 25.443 1.00 22.75 C ATOM 312 CD2 TYR A 40 81.880 42.795 24.435 1.00 21.39 C ATOM 313 CE1 TYR A 40 80.066 43.981 26.273 1.00 20.84 C ATOM 314 CE2 TYR A 40 82.294 43.880 25.232 1.00 21.41 C ATOM 315 CZ TYR A 40 81.390 44.493 26.157 1.00 22.81 C ATOM 316 OH TYR A 40 81.784 45.586 26.948 1.00 16.10 O ATOM 0 H TYR A 40 77.937 42.346 23.516 1.00 21.84 H new ATOM 0 HA TYR A 40 79.864 41.821 21.768 1.00 21.72 H new ATOM 0 HB2 TYR A 40 79.618 40.476 24.236 1.00 21.78 H new ATOM 0 HB3 TYR A 40 80.922 40.597 23.390 1.00 21.78 H new ATOM 0 HD1 TYR A 40 78.795 42.587 25.501 1.00 22.75 H new ATOM 0 HD2 TYR A 40 82.482 42.407 23.842 1.00 21.39 H new ATOM 0 HE1 TYR A 40 79.470 44.349 26.885 1.00 20.84 H new ATOM 0 HE2 TYR A 40 83.163 44.201 25.156 1.00 21.41 H new ATOM 0 HH TYR A 40 82.618 45.679 26.902 1.00 16.10 H new ATOM 317 N LEU A 41 79.569 39.362 21.146 1.00 24.00 N ATOM 318 CA LEU A 41 79.222 38.033 20.713 1.00 25.07 C ATOM 319 C LEU A 41 78.912 37.147 21.909 1.00 24.04 C ATOM 320 O LEU A 41 78.043 36.303 21.806 1.00 24.88 O ATOM 321 CB LEU A 41 80.305 37.462 19.758 1.00 26.34 C ATOM 322 CG LEU A 41 80.192 37.908 18.290 1.00 30.04 C ATOM 323 CD1 LEU A 41 81.204 37.089 17.421 1.00 33.05 C ATOM 324 CD2 LEU A 41 78.756 37.722 17.715 1.00 32.77 C ATOM 0 H LEU A 41 80.356 39.625 20.919 1.00 24.00 H new ATOM 0 HA LEU A 41 78.406 38.064 20.189 1.00 25.07 H new ATOM 0 HB2 LEU A 41 81.178 37.720 20.092 1.00 26.34 H new ATOM 0 HB3 LEU A 41 80.264 36.493 19.790 1.00 26.34 H new ATOM 0 HG LEU A 41 80.397 38.856 18.260 1.00 30.04 H new ATOM 0 HD11 LEU A 41 81.135 37.368 16.495 1.00 33.05 H new ATOM 0 HD12 LEU A 41 82.106 37.247 17.740 1.00 33.05 H new ATOM 0 HD13 LEU A 41 80.998 36.144 17.490 1.00 33.05 H new ATOM 0 HD21 LEU A 41 78.737 38.016 16.791 1.00 32.77 H new ATOM 0 HD22 LEU A 41 78.508 36.785 17.761 1.00 32.77 H new ATOM 0 HD23 LEU A 41 78.128 38.248 18.235 1.00 32.77 H new ATOM 325 N SER A 42 79.522 37.392 23.073 1.00 23.48 N ATOM 326 CA SER A 42 79.206 36.608 24.272 1.00 22.81 C ATOM 327 C SER A 42 78.119 37.181 25.190 1.00 22.40 C ATOM 328 O SER A 42 77.791 36.591 26.234 1.00 22.24 O ATOM 329 CB SER A 42 80.479 36.375 25.096 1.00 22.58 C ATOM 330 OG SER A 42 80.883 37.591 25.734 1.00 24.39 O ATOM 0 H SER A 42 80.117 38.002 23.189 1.00 23.48 H new ATOM 0 HA SER A 42 78.838 35.781 23.924 1.00 22.81 H new ATOM 0 HB2 SER A 42 80.320 35.689 25.763 1.00 22.58 H new ATOM 0 HB3 SER A 42 81.190 36.052 24.521 1.00 22.58 H new ATOM 0 HG SER A 42 81.579 37.454 26.184 1.00 24.39 H new ATOM 331 N LYS A 43 77.596 38.351 24.852 1.00 22.30 N ATOM 332 CA LYS A 43 76.538 38.998 25.640 1.00 22.08 C ATOM 333 C LYS A 43 75.788 40.003 24.769 1.00 20.70 C ATOM 334 O LYS A 43 76.176 41.133 24.665 1.00 19.53 O ATOM 335 CB LYS A 43 77.118 39.696 26.874 1.00 22.16 C ATOM 336 CG LYS A 43 76.035 40.236 27.867 1.00 22.71 C ATOM 337 CD LYS A 43 76.560 41.519 28.573 1.00 24.33 C ATOM 338 CE LYS A 43 75.430 42.462 29.068 1.00 25.13 C ATOM 339 NZ LYS A 43 75.937 43.438 30.042 1.00 22.96 N ATOM 0 H LYS A 43 77.840 38.798 24.159 1.00 22.30 H new ATOM 0 HA LYS A 43 75.921 38.314 25.946 1.00 22.08 H new ATOM 0 HB2 LYS A 43 77.694 39.074 27.345 1.00 22.16 H new ATOM 0 HB3 LYS A 43 77.675 40.435 26.584 1.00 22.16 H new ATOM 0 HG2 LYS A 43 75.215 40.433 27.388 1.00 22.71 H new ATOM 0 HG3 LYS A 43 75.822 39.558 28.527 1.00 22.71 H new ATOM 0 HD2 LYS A 43 77.110 41.261 29.329 1.00 24.33 H new ATOM 0 HD3 LYS A 43 77.132 42.006 27.959 1.00 24.33 H new ATOM 0 HE2 LYS A 43 75.041 42.929 28.312 1.00 25.13 H new ATOM 0 HE3 LYS A 43 74.722 41.937 29.472 1.00 25.13 H new ATOM 0 HZ1 LYS A 43 75.285 44.001 30.265 1.00 22.96 H new ATOM 0 HZ2 LYS A 43 76.222 43.011 30.769 1.00 22.96 H new ATOM 0 HZ3 LYS A 43 76.612 43.894 29.682 1.00 22.96 H new ATOM 340 N SER A 44 74.707 39.565 24.148 1.00 20.24 N ATOM 341 CA SER A 44 73.927 40.422 23.286 1.00 20.27 C ATOM 342 C SER A 44 72.463 40.416 23.697 1.00 19.80 C ATOM 343 O SER A 44 71.943 39.395 24.118 1.00 21.71 O ATOM 344 CB SER A 44 74.116 40.040 21.806 1.00 20.13 C ATOM 345 OG SER A 44 73.666 38.745 21.555 1.00 19.31 O ATOM 0 H SER A 44 74.407 38.762 24.216 1.00 20.24 H new ATOM 0 HA SER A 44 74.250 41.331 23.387 1.00 20.27 H new ATOM 0 HB2 SER A 44 73.634 40.667 21.244 1.00 20.13 H new ATOM 0 HB3 SER A 44 75.054 40.110 21.569 1.00 20.13 H new ATOM 0 HG SER A 44 73.164 38.748 20.881 1.00 19.31 H new ATOM 346 N AARG A 45 71.804 41.544 23.501 0.60 19.68 N ATOM 347 N BARG A 45 71.818 41.568 23.590 0.40 19.65 N ATOM 348 CA AARG A 45 70.465 41.793 24.016 0.60 20.04 C ATOM 349 CA BARG A 45 70.432 41.740 24.016 0.40 19.68 C ATOM 350 C AARG A 45 69.500 42.177 22.886 0.60 19.10 C ATOM 351 C BARG A 45 69.524 42.129 22.853 0.40 19.08 C ATOM 352 O AARG A 45 69.773 43.092 22.125 0.60 18.49 O ATOM 353 O BARG A 45 69.861 42.977 22.033 0.40 18.65 O ATOM 354 CB AARG A 45 70.511 42.942 25.046 0.60 21.06 C ATOM 355 CB BARG A 45 70.318 42.802 25.127 0.40 20.17 C ATOM 356 CG AARG A 45 71.429 42.729 26.287 0.60 22.65 C ATOM 357 CG BARG A 45 70.188 42.246 26.557 0.40 20.12 C ATOM 358 CD AARG A 45 70.834 41.775 27.322 0.60 27.15 C ATOM 359 CD BARG A 45 71.530 41.911 27.148 0.40 20.88 C ATOM 360 NE AARG A 45 71.255 40.387 27.111 0.60 29.91 N ATOM 361 NE BARG A 45 71.513 41.237 28.467 0.40 20.80 N ATOM 362 CZ AARG A 45 72.088 39.679 27.881 0.60 28.57 C ATOM 363 CZ BARG A 45 71.695 41.841 29.648 0.40 20.19 C ATOM 364 NH1AARG A 45 72.642 40.164 28.986 0.60 28.45 N ATOM 365 NH1BARG A 45 71.825 43.152 29.735 0.40 18.57 N ATOM 366 NH2AARG A 45 72.363 38.444 27.526 0.60 29.43 N ATOM 367 NH2BARG A 45 71.737 41.122 30.761 0.40 21.77 N ATOM 0 H AARG A 45 72.128 42.204 23.055 0.60 19.65 H new ATOM 0 H BARG A 45 72.173 42.281 23.265 0.40 19.65 H new ATOM 0 HA AARG A 45 70.148 40.978 24.435 0.60 19.68 H new ATOM 0 HA BARG A 45 70.141 40.882 24.362 0.40 19.68 H new ATOM 0 HB2AARG A 45 70.800 43.747 24.589 0.60 20.17 H new ATOM 0 HB2BARG A 45 71.100 43.375 25.088 0.40 20.17 H new ATOM 0 HB3AARG A 45 69.608 43.103 25.361 0.60 20.17 H new ATOM 0 HB3BARG A 45 69.547 43.361 24.942 0.40 20.17 H new ATOM 0 HG2AARG A 45 72.286 42.383 25.992 0.60 20.12 H new ATOM 0 HG2BARG A 45 69.741 42.898 27.119 0.40 20.12 H new ATOM 0 HG3AARG A 45 71.599 43.587 26.707 0.60 20.12 H new ATOM 0 HG3BARG A 45 69.631 41.452 26.546 0.40 20.12 H new ATOM 0 HD2AARG A 45 71.100 42.059 28.210 0.60 20.88 H new ATOM 0 HD2BARG A 45 72.006 41.344 26.522 0.40 20.88 H new ATOM 0 HD3AARG A 45 69.866 41.826 27.286 0.60 20.88 H new ATOM 0 HD3BARG A 45 72.040 42.732 27.231 0.40 20.88 H new ATOM 0 HE AARG A 45 70.933 39.987 26.421 0.60 20.80 H new ATOM 0 HE BARG A 45 71.375 40.388 28.475 0.40 20.80 H new ATOM 0 HH11AARG A 45 72.470 40.969 29.236 0.60 18.57 H new ATOM 0 HH11BARG A 45 71.793 43.635 29.024 0.40 18.57 H new ATOM 0 HH12AARG A 45 73.173 39.673 29.452 0.60 18.57 H new ATOM 0 HH12BARG A 45 71.941 43.523 30.502 0.40 18.57 H new ATOM 0 HH21AARG A 45 72.010 38.112 26.815 0.60 21.77 H new ATOM 0 HH21BARG A 45 71.647 40.267 30.725 0.40 21.77 H new ATOM 0 HH22AARG A 45 72.896 37.968 28.004 0.60 21.77 H new ATOM 0 HH22BARG A 45 71.854 41.510 31.519 0.40 21.77 H new ATOM 368 N MET A 46 68.364 41.491 22.805 1.00 18.75 N ATOM 369 CA MET A 46 67.364 41.742 21.771 1.00 19.99 C ATOM 370 C MET A 46 66.738 43.139 21.834 1.00 18.57 C ATOM 371 O MET A 46 66.404 43.636 22.906 1.00 18.04 O ATOM 372 CB MET A 46 66.273 40.651 21.752 1.00 19.24 C ATOM 373 CG MET A 46 65.503 40.519 23.007 1.00 24.07 C ATOM 374 SD MET A 46 64.535 38.958 23.209 1.00 28.66 S ATOM 375 CE MET A 46 63.544 39.019 21.778 1.00 31.86 C ATOM 0 H AMET A 46 68.150 40.863 23.352 0.60 18.75 H new ATOM 0 H BMET A 46 68.130 40.893 23.377 0.40 18.75 H new ATOM 0 HA MET A 46 67.853 41.705 20.934 1.00 19.99 H new ATOM 0 HB2 MET A 46 65.656 40.841 21.028 1.00 19.24 H new ATOM 0 HB3 MET A 46 66.690 39.798 21.553 1.00 19.24 H new ATOM 0 HG2 MET A 46 66.119 40.594 23.752 1.00 24.07 H new ATOM 0 HG3 MET A 46 64.890 41.268 23.069 1.00 24.07 H new ATOM 0 HE1 MET A 46 63.510 38.140 21.370 1.00 31.86 H new ATOM 0 HE2 MET A 46 62.647 39.299 22.017 1.00 31.86 H new ATOM 0 HE3 MET A 46 63.923 39.653 21.149 1.00 31.86 H new ATOM 376 N TYR A 47 66.585 43.762 20.660 1.00 17.37 N ATOM 377 CA TYR A 47 65.948 45.055 20.580 1.00 17.46 C ATOM 378 C TYR A 47 64.855 45.146 19.514 1.00 16.92 C ATOM 379 O TYR A 47 64.160 46.155 19.469 1.00 17.06 O ATOM 380 CB TYR A 47 67.008 46.169 20.382 1.00 16.87 C ATOM 381 CG TYR A 47 67.679 46.196 19.032 1.00 17.95 C ATOM 382 CD1 TYR A 47 67.101 46.868 17.954 1.00 17.18 C ATOM 383 CD2 TYR A 47 68.903 45.525 18.815 1.00 16.86 C ATOM 384 CE1 TYR A 47 67.718 46.875 16.707 1.00 16.15 C ATOM 385 CE2 TYR A 47 69.508 45.526 17.575 1.00 15.46 C ATOM 386 CZ TYR A 47 68.927 46.218 16.528 1.00 15.76 C ATOM 387 OH TYR A 47 69.534 46.234 15.288 1.00 15.78 O ATOM 0 H TYR A 47 66.847 43.443 19.905 1.00 17.37 H new ATOM 0 HA TYR A 47 65.496 45.185 21.428 1.00 17.46 H new ATOM 0 HB2 TYR A 47 66.583 47.028 20.532 1.00 16.87 H new ATOM 0 HB3 TYR A 47 67.691 46.068 21.063 1.00 16.87 H new ATOM 0 HD1 TYR A 47 66.294 47.316 18.070 1.00 17.18 H new ATOM 0 HD2 TYR A 47 69.308 45.075 19.521 1.00 16.86 H new ATOM 0 HE1 TYR A 47 67.320 47.320 15.994 1.00 16.15 H new ATOM 0 HE2 TYR A 47 70.304 45.063 17.444 1.00 15.46 H new ATOM 0 HH TYR A 47 68.981 46.487 14.708 1.00 15.78 H new ATOM 388 N ALA A 48 64.760 44.168 18.614 1.00 16.19 N ATOM 389 CA ALA A 48 63.664 44.127 17.643 1.00 16.55 C ATOM 390 C ALA A 48 63.447 42.687 17.184 1.00 16.79 C ATOM 391 O ALA A 48 64.395 41.909 17.148 1.00 16.67 O ATOM 392 CB ALA A 48 63.942 44.979 16.499 1.00 15.97 C ATOM 0 H ALA A 48 65.319 43.518 18.548 1.00 16.19 H new ATOM 0 HA ALA A 48 62.860 44.459 18.072 1.00 16.55 H new ATOM 0 HB1 ALA A 48 63.202 44.933 15.874 1.00 15.97 H new ATOM 0 HB2 ALA A 48 64.056 45.895 16.797 1.00 15.97 H new ATOM 0 HB3 ALA A 48 64.754 44.679 16.061 1.00 15.97 H new ATOM 393 N LEU A 49 62.204 42.324 16.878 1.00 16.42 N ATOM 394 CA LEU A 49 61.907 40.987 16.370 1.00 18.52 C ATOM 395 C LEU A 49 60.773 41.059 15.343 1.00 17.93 C ATOM 396 O LEU A 49 59.832 41.882 15.482 1.00 17.86 O ATOM 397 CB LEU A 49 61.430 40.036 17.479 1.00 19.38 C ATOM 398 CG LEU A 49 62.020 39.842 18.853 1.00 22.89 C ATOM 399 CD1 LEU A 49 61.901 41.114 19.734 1.00 24.64 C ATOM 400 CD2 LEU A 49 61.243 38.634 19.447 1.00 22.14 C ATOM 0 H LEU A 49 61.518 42.837 16.957 1.00 16.42 H new ATOM 0 HA LEU A 49 62.731 40.653 15.982 1.00 18.52 H new ATOM 0 HB2 LEU A 49 60.502 40.273 17.633 1.00 19.38 H new ATOM 0 HB3 LEU A 49 61.434 39.154 17.075 1.00 19.38 H new ATOM 0 HG LEU A 49 62.974 39.673 18.815 1.00 22.89 H new ATOM 0 HD11 LEU A 49 62.292 40.942 20.605 1.00 24.64 H new ATOM 0 HD12 LEU A 49 62.371 41.848 19.308 1.00 24.64 H new ATOM 0 HD13 LEU A 49 60.966 41.348 19.841 1.00 24.64 H new ATOM 0 HD21 LEU A 49 61.570 38.446 20.341 1.00 22.14 H new ATOM 0 HD22 LEU A 49 60.297 38.846 19.487 1.00 22.14 H new ATOM 0 HD23 LEU A 49 61.376 37.855 18.884 1.00 22.14 H new ATOM 401 N THR A 50 60.808 40.174 14.362 1.00 18.02 N ATOM 402 CA THR A 50 59.655 40.040 13.452 1.00 19.04 C ATOM 403 C THR A 50 59.591 38.633 12.879 1.00 19.26 C ATOM 404 O THR A 50 60.630 38.013 12.686 1.00 20.40 O ATOM 405 CB THR A 50 59.696 41.090 12.272 1.00 19.51 C ATOM 406 OG1 THR A 50 58.408 41.170 11.589 1.00 19.29 O ATOM 407 CG2 THR A 50 60.818 40.755 11.314 1.00 19.02 C ATOM 0 H THR A 50 61.468 39.647 14.198 1.00 18.02 H new ATOM 0 HA THR A 50 58.860 40.217 13.978 1.00 19.04 H new ATOM 0 HB THR A 50 59.872 41.968 12.646 1.00 19.51 H new ATOM 0 HG1 THR A 50 57.803 41.332 12.149 1.00 19.29 H new ATOM 0 HG21 THR A 50 60.834 41.405 10.594 1.00 19.02 H new ATOM 0 HG22 THR A 50 61.665 40.776 11.787 1.00 19.02 H new ATOM 0 HG23 THR A 50 60.676 39.869 10.946 1.00 19.02 H new ATOM 408 N ASP A 51 58.381 38.151 12.596 1.00 18.83 N ATOM 409 CA ASP A 51 58.167 36.833 12.017 1.00 18.39 C ATOM 410 C ASP A 51 58.055 37.047 10.513 1.00 18.40 C ATOM 411 O ASP A 51 57.071 37.630 9.994 1.00 17.05 O ATOM 412 CB ASP A 51 56.933 36.169 12.627 1.00 18.16 C ATOM 413 CG ASP A 51 56.614 34.820 12.015 1.00 19.74 C ATOM 414 OD1 ASP A 51 57.298 34.349 11.049 1.00 21.05 O ATOM 415 OD2 ASP A 51 55.629 34.233 12.508 1.00 23.77 O ATOM 0 H ASP A 51 57.654 38.589 12.738 1.00 18.83 H new ATOM 0 HA ASP A 51 58.898 36.224 12.207 1.00 18.39 H new ATOM 0 HB2 ASP A 51 57.070 36.060 13.581 1.00 18.16 H new ATOM 0 HB3 ASP A 51 56.169 36.756 12.516 1.00 18.16 H new ATOM 416 N ILE A 52 59.100 36.603 9.819 1.00 19.53 N ATOM 417 CA ILE A 52 59.299 36.920 8.402 1.00 19.54 C ATOM 418 C ILE A 52 58.385 36.187 7.456 1.00 19.42 C ATOM 419 O ILE A 52 58.315 36.546 6.294 1.00 18.19 O ATOM 420 CB ILE A 52 60.779 36.770 7.943 1.00 20.42 C ATOM 421 CG1 ILE A 52 61.246 35.314 7.830 1.00 20.65 C ATOM 422 CG2 ILE A 52 61.703 37.581 8.843 1.00 20.48 C ATOM 423 CD1 ILE A 52 62.523 35.176 6.913 1.00 20.96 C ATOM 0 H ILE A 52 59.717 36.108 10.156 1.00 19.53 H new ATOM 0 HA ILE A 52 59.055 37.857 8.351 1.00 19.54 H new ATOM 0 HB ILE A 52 60.823 37.126 7.042 1.00 20.42 H new ATOM 0 HG12 ILE A 52 61.444 34.969 8.714 1.00 20.65 H new ATOM 0 HG13 ILE A 52 60.528 34.771 7.468 1.00 20.65 H new ATOM 0 HG21 ILE A 52 62.620 37.477 8.544 1.00 20.48 H new ATOM 0 HG22 ILE A 52 61.455 38.518 8.802 1.00 20.48 H new ATOM 0 HG23 ILE A 52 61.624 37.266 9.757 1.00 20.48 H new ATOM 0 HD11 ILE A 52 62.788 34.244 6.865 1.00 20.96 H new ATOM 0 HD12 ILE A 52 62.318 35.499 6.022 1.00 20.96 H new ATOM 0 HD13 ILE A 52 63.249 35.700 7.287 1.00 20.96 H new ATOM 424 N THR A 53 57.649 35.179 7.938 1.00 20.07 N ATOM 425 CA THR A 53 56.636 34.537 7.106 1.00 20.70 C ATOM 426 C THR A 53 55.239 35.223 7.096 1.00 21.41 C ATOM 427 O THR A 53 54.336 34.762 6.374 1.00 21.36 O ATOM 428 CB THR A 53 56.446 33.020 7.434 1.00 20.36 C ATOM 429 OG1 THR A 53 55.664 32.408 6.393 1.00 22.10 O ATOM 430 CG2 THR A 53 55.744 32.827 8.724 1.00 21.22 C ATOM 0 H THR A 53 57.722 34.859 8.733 1.00 20.07 H new ATOM 0 HA THR A 53 57.010 34.640 6.217 1.00 20.70 H new ATOM 0 HB THR A 53 57.325 32.614 7.495 1.00 20.36 H new ATOM 0 HG1 THR A 53 55.019 32.909 6.195 1.00 22.10 H new ATOM 0 HG21 THR A 53 55.642 31.878 8.898 1.00 21.22 H new ATOM 0 HG22 THR A 53 56.261 33.233 9.438 1.00 21.22 H new ATOM 0 HG23 THR A 53 54.869 33.244 8.682 1.00 21.22 H new ATOM 431 N GLN A 54 55.047 36.269 7.894 1.00 20.88 N ATOM 432 CA GLN A 54 53.776 37.009 7.920 1.00 21.37 C ATOM 433 C GLN A 54 53.788 38.260 7.018 1.00 21.78 C ATOM 434 O GLN A 54 54.729 39.086 7.053 1.00 19.83 O ATOM 435 CB GLN A 54 53.470 37.477 9.338 1.00 21.06 C ATOM 436 CG GLN A 54 53.280 36.401 10.376 1.00 21.85 C ATOM 437 CD GLN A 54 52.911 36.969 11.768 1.00 23.14 C ATOM 438 OE1 GLN A 54 53.633 37.827 12.350 1.00 21.18 O ATOM 439 NE2 GLN A 54 51.794 36.465 12.318 1.00 23.20 N ATOM 0 H GLN A 54 55.643 36.573 8.435 1.00 20.88 H new ATOM 0 HA GLN A 54 53.103 36.392 7.591 1.00 21.37 H new ATOM 0 HB2 GLN A 54 54.192 38.055 9.629 1.00 21.06 H new ATOM 0 HB3 GLN A 54 52.666 38.019 9.312 1.00 21.06 H new ATOM 0 HG2 GLN A 54 52.582 35.795 10.083 1.00 21.85 H new ATOM 0 HG3 GLN A 54 54.095 35.881 10.449 1.00 21.85 H new ATOM 0 HE21 GLN A 54 51.329 35.882 11.890 1.00 23.20 H new ATOM 0 HE22 GLN A 54 51.544 36.725 13.099 1.00 23.20 H new ATOM 440 N ASP A 55 52.720 38.416 6.250 1.00 23.18 N ATOM 441 CA ASP A 55 52.488 39.605 5.431 1.00 23.27 C ATOM 442 C ASP A 55 51.088 40.141 5.785 1.00 22.56 C ATOM 443 O ASP A 55 50.119 39.451 5.575 1.00 23.21 O ATOM 444 CB ASP A 55 52.598 39.182 3.970 1.00 24.28 C ATOM 445 CG ASP A 55 52.399 40.320 2.970 1.00 27.72 C ATOM 446 OD1 ASP A 55 52.257 41.524 3.312 1.00 31.99 O ATOM 447 OD2 ASP A 55 52.345 39.958 1.772 1.00 38.37 O ATOM 0 H ASP A 55 52.097 37.827 6.186 1.00 23.18 H new ATOM 0 HA ASP A 55 53.133 40.311 5.591 1.00 23.27 H new ATOM 0 HB2 ASP A 55 53.471 38.786 3.824 1.00 24.28 H new ATOM 0 HB3 ASP A 55 51.940 38.492 3.794 1.00 24.28 H new ATOM 448 N PRO A 56 50.980 41.343 6.363 1.00 20.67 N ATOM 449 CA PRO A 56 52.073 42.261 6.678 1.00 21.18 C ATOM 450 C PRO A 56 52.906 41.792 7.891 1.00 20.83 C ATOM 451 O PRO A 56 52.436 41.017 8.799 1.00 19.65 O ATOM 452 CB PRO A 56 51.351 43.606 6.965 1.00 20.80 C ATOM 453 CG PRO A 56 50.068 43.206 7.538 1.00 22.02 C ATOM 454 CD PRO A 56 49.681 41.915 6.752 1.00 21.60 C ATOM 0 HA PRO A 56 52.717 42.324 5.956 1.00 21.18 H new ATOM 0 HB2 PRO A 56 51.859 44.157 7.581 1.00 20.80 H new ATOM 0 HB3 PRO A 56 51.231 44.125 6.154 1.00 20.80 H new ATOM 0 HG2 PRO A 56 50.144 43.032 8.489 1.00 22.02 H new ATOM 0 HG3 PRO A 56 49.400 43.901 7.429 1.00 22.02 H new ATOM 0 HD2 PRO A 56 49.172 41.301 7.304 1.00 21.60 H new ATOM 0 HD3 PRO A 56 49.135 42.120 5.977 1.00 21.60 H new ATOM 455 N LEU A 57 54.149 42.239 7.879 1.00 18.99 N ATOM 456 CA LEU A 57 55.017 41.975 8.982 1.00 18.91 C ATOM 457 C LEU A 57 54.456 42.602 10.266 1.00 18.62 C ATOM 458 O LEU A 57 53.699 43.592 10.256 1.00 16.63 O ATOM 459 CB LEU A 57 56.422 42.514 8.679 1.00 19.83 C ATOM 460 CG LEU A 57 57.262 41.881 7.568 1.00 19.50 C ATOM 461 CD1 LEU A 57 58.606 42.691 7.403 1.00 22.30 C ATOM 462 CD2 LEU A 57 57.624 40.411 7.836 1.00 20.38 C ATOM 0 H LEU A 57 54.499 42.695 7.239 1.00 18.99 H new ATOM 0 HA LEU A 57 55.076 41.016 9.117 1.00 18.91 H new ATOM 0 HB2 LEU A 57 56.330 43.457 8.469 1.00 19.83 H new ATOM 0 HB3 LEU A 57 56.937 42.455 9.499 1.00 19.83 H new ATOM 0 HG LEU A 57 56.719 41.910 6.765 1.00 19.50 H new ATOM 0 HD11 LEU A 57 59.140 42.291 6.699 1.00 22.30 H new ATOM 0 HD12 LEU A 57 58.403 43.611 7.172 1.00 22.30 H new ATOM 0 HD13 LEU A 57 59.102 42.669 8.237 1.00 22.30 H new ATOM 0 HD21 LEU A 57 58.154 40.069 7.099 1.00 20.38 H new ATOM 0 HD22 LEU A 57 58.135 40.348 8.658 1.00 20.38 H new ATOM 0 HD23 LEU A 57 56.812 39.888 7.920 1.00 20.38 H new ATOM 463 N ARG A 58 54.835 41.989 11.382 1.00 18.80 N ATOM 464 CA ARG A 58 54.642 42.585 12.690 1.00 19.39 C ATOM 465 C ARG A 58 55.979 42.760 13.382 1.00 18.56 C ATOM 466 O ARG A 58 56.756 41.815 13.538 1.00 17.27 O ATOM 467 CB ARG A 58 53.680 41.752 13.557 1.00 20.96 C ATOM 468 CG ARG A 58 52.507 41.278 12.740 1.00 25.83 C ATOM 469 CD ARG A 58 51.204 41.368 13.468 1.00 32.23 C ATOM 470 NE ARG A 58 50.132 41.443 12.467 1.00 34.69 N ATOM 471 CZ ARG A 58 48.880 41.755 12.755 1.00 35.17 C ATOM 472 NH1 ARG A 58 48.519 41.999 14.021 1.00 34.33 N ATOM 473 NH2 ARG A 58 47.977 41.776 11.770 1.00 36.99 N ATOM 0 H ARG A 58 55.211 41.216 11.398 1.00 18.80 H new ATOM 0 HA ARG A 58 54.235 43.457 12.567 1.00 19.39 H new ATOM 0 HB2 ARG A 58 54.150 40.990 13.930 1.00 20.96 H new ATOM 0 HB3 ARG A 58 53.366 42.285 14.304 1.00 20.96 H new ATOM 0 HG2 ARG A 58 52.453 41.805 11.927 1.00 25.83 H new ATOM 0 HG3 ARG A 58 52.658 40.358 12.472 1.00 25.83 H new ATOM 0 HD2 ARG A 58 51.081 40.595 14.040 1.00 32.23 H new ATOM 0 HD3 ARG A 58 51.189 42.150 14.041 1.00 32.23 H new ATOM 0 HE ARG A 58 50.330 41.274 11.647 1.00 34.69 H new ATOM 0 HH11 ARG A 58 49.103 41.953 14.651 1.00 34.33 H new ATOM 0 HH12 ARG A 58 47.704 42.202 14.204 1.00 34.33 H new ATOM 0 HH21 ARG A 58 48.214 41.588 10.965 1.00 36.99 H new ATOM 0 HH22 ARG A 58 47.159 41.977 11.941 1.00 36.99 H new ATOM 474 N LEU A 59 56.216 44.009 13.777 1.00 17.22 N ATOM 475 CA LEU A 59 57.453 44.414 14.317 1.00 16.77 C ATOM 476 C LEU A 59 57.308 44.674 15.825 1.00 16.43 C ATOM 477 O LEU A 59 56.573 45.576 16.259 1.00 16.12 O ATOM 478 CB LEU A 59 57.938 45.665 13.573 1.00 16.30 C ATOM 479 CG LEU A 59 59.281 46.189 14.084 1.00 16.79 C ATOM 480 CD1 LEU A 59 60.347 45.143 13.904 1.00 18.84 C ATOM 481 CD2 LEU A 59 59.673 47.533 13.430 1.00 17.20 C ATOM 0 H LEU A 59 55.634 44.640 13.727 1.00 17.22 H new ATOM 0 HA LEU A 59 58.113 43.712 14.203 1.00 16.77 H new ATOM 0 HB2 LEU A 59 58.016 45.462 12.628 1.00 16.30 H new ATOM 0 HB3 LEU A 59 57.271 46.364 13.659 1.00 16.30 H new ATOM 0 HG LEU A 59 59.190 46.371 15.032 1.00 16.79 H new ATOM 0 HD11 LEU A 59 61.194 45.484 14.231 1.00 18.84 H new ATOM 0 HD12 LEU A 59 60.106 44.346 14.402 1.00 18.84 H new ATOM 0 HD13 LEU A 59 60.429 44.923 12.963 1.00 18.84 H new ATOM 0 HD21 LEU A 59 60.528 47.827 13.782 1.00 17.20 H new ATOM 0 HD22 LEU A 59 59.742 47.418 12.469 1.00 17.20 H new ATOM 0 HD23 LEU A 59 58.996 48.199 13.628 1.00 17.20 H new ATOM 482 N SER A 60 58.035 43.878 16.596 1.00 15.43 N ATOM 483 CA SER A 60 58.109 44.045 18.039 1.00 15.96 C ATOM 484 C SER A 60 59.378 44.815 18.420 1.00 15.23 C ATOM 485 O SER A 60 60.453 44.495 17.966 1.00 14.53 O ATOM 486 CB SER A 60 58.057 42.686 18.756 1.00 15.21 C ATOM 487 OG SER A 60 56.762 42.073 18.649 1.00 16.21 O ATOM 0 H SER A 60 58.502 43.222 16.295 1.00 15.43 H new ATOM 0 HA SER A 60 57.338 44.559 18.326 1.00 15.96 H new ATOM 0 HB2 SER A 60 58.726 42.095 18.377 1.00 15.21 H new ATOM 0 HB3 SER A 60 58.281 42.806 19.692 1.00 15.21 H new ATOM 0 HG SER A 60 56.767 41.334 19.049 1.00 16.21 H new ATOM 488 N LEU A 61 59.205 45.774 19.310 1.00 15.69 N ATOM 489 CA ALEU A 61 60.275 46.650 19.717 0.60 16.85 C ATOM 490 CA BLEU A 61 60.207 46.764 19.676 0.40 16.87 C ATOM 491 C LEU A 61 60.037 47.185 21.135 1.00 16.98 C ATOM 492 O LEU A 61 58.939 47.094 21.663 1.00 17.18 O ATOM 493 CB ALEU A 61 60.454 47.798 18.690 0.60 16.45 C ATOM 494 CB BLEU A 61 60.018 48.016 18.801 0.40 16.50 C ATOM 495 CG ALEU A 61 59.279 48.716 18.322 0.60 15.80 C ATOM 496 CG BLEU A 61 60.837 48.229 17.524 0.40 16.76 C ATOM 497 CD1ALEU A 61 59.034 49.776 19.359 0.60 15.31 C ATOM 498 CD1BLEU A 61 61.386 46.968 16.901 0.40 16.43 C ATOM 499 CD2ALEU A 61 59.517 49.383 16.963 0.60 16.55 C ATOM 500 CD2BLEU A 61 60.022 49.035 16.528 0.40 16.92 C ATOM 0 H ALEU A 61 58.454 45.934 19.697 0.60 15.69 H new ATOM 0 H BLEU A 61 58.466 45.873 19.739 0.40 15.69 H new ATOM 0 HA ALEU A 61 61.101 46.142 19.738 0.60 16.87 H new ATOM 0 HA BLEU A 61 61.086 46.375 19.548 0.40 16.87 H new ATOM 0 HB2ALEU A 61 61.167 48.367 19.020 0.60 16.50 H new ATOM 0 HB2BLEU A 61 59.083 48.042 18.544 0.40 16.50 H new ATOM 0 HB3ALEU A 61 60.770 47.396 17.866 0.60 16.50 H new ATOM 0 HB3BLEU A 61 60.178 48.785 19.370 0.40 16.50 H new ATOM 0 HG ALEU A 61 58.491 48.152 18.278 0.60 16.76 H new ATOM 0 HG BLEU A 61 61.628 48.725 17.787 0.40 16.76 H new ATOM 0 HD11ALEU A 61 58.286 50.330 19.086 0.60 16.43 H new ATOM 0 HD11BLEU A 61 61.888 47.194 16.102 0.40 16.43 H new ATOM 0 HD12ALEU A 61 58.831 49.356 20.210 0.60 16.43 H new ATOM 0 HD12BLEU A 61 61.970 46.522 17.534 0.40 16.43 H new ATOM 0 HD13ALEU A 61 59.827 50.327 19.452 0.60 16.43 H new ATOM 0 HD13BLEU A 61 60.653 46.378 16.666 0.40 16.43 H new ATOM 0 HD21ALEU A 61 58.766 49.958 16.748 0.60 16.92 H new ATOM 0 HD21BLEU A 61 60.540 49.170 15.719 0.40 16.92 H new ATOM 0 HD22ALEU A 61 60.329 49.913 17.000 0.60 16.92 H new ATOM 0 HD22BLEU A 61 59.207 48.555 16.313 0.40 16.92 H new ATOM 0 HD23ALEU A 61 59.608 48.701 16.279 0.60 16.92 H new ATOM 0 HD23BLEU A 61 59.797 49.896 16.915 0.40 16.92 H new ATOM 501 N LYS A 62 61.103 47.717 21.739 1.00 17.31 N ATOM 502 CA LYS A 62 61.074 48.207 23.120 1.00 18.40 C ATOM 503 C LYS A 62 60.833 49.680 23.129 1.00 18.18 C ATOM 504 O LYS A 62 61.377 50.420 22.277 1.00 17.09 O ATOM 505 CB LYS A 62 62.391 47.939 23.879 1.00 18.94 C ATOM 506 CG LYS A 62 62.836 46.495 23.877 1.00 21.80 C ATOM 507 CD LYS A 62 63.641 46.080 25.134 1.00 20.64 C ATOM 508 CE LYS A 62 62.861 46.053 26.427 1.00 21.00 C ATOM 509 NZ LYS A 62 63.678 45.409 27.508 1.00 19.75 N ATOM 0 H LYS A 62 61.868 47.804 21.356 1.00 17.31 H new ATOM 0 HA LYS A 62 60.360 47.726 23.566 1.00 18.40 H new ATOM 0 HB2 LYS A 62 63.093 48.482 23.487 1.00 18.94 H new ATOM 0 HB3 LYS A 62 62.286 48.232 24.798 1.00 18.94 H new ATOM 0 HG2 LYS A 62 62.054 45.926 23.803 1.00 21.80 H new ATOM 0 HG3 LYS A 62 63.379 46.335 23.089 1.00 21.80 H new ATOM 0 HD2 LYS A 62 64.016 45.198 24.982 1.00 20.64 H new ATOM 0 HD3 LYS A 62 64.387 46.691 25.237 1.00 20.64 H new ATOM 0 HE2 LYS A 62 62.621 46.956 26.687 1.00 21.00 H new ATOM 0 HE3 LYS A 62 62.032 45.564 26.303 1.00 21.00 H new ATOM 0 HZ1 LYS A 62 63.283 45.538 28.295 1.00 19.75 H new ATOM 0 HZ2 LYS A 62 63.745 44.536 27.350 1.00 19.75 H new ATOM 0 HZ3 LYS A 62 64.491 45.771 27.521 1.00 19.75 H new ATOM 510 N VAL A 63 60.052 50.104 24.114 1.00 18.68 N ATOM 511 CA AVAL A 63 59.607 51.504 24.246 0.50 19.48 C ATOM 512 CA BVAL A 63 59.704 51.500 24.230 0.50 19.74 C ATOM 513 C VAL A 63 59.527 51.862 25.707 1.00 20.18 C ATOM 514 O VAL A 63 59.275 51.007 26.523 1.00 20.57 O ATOM 515 CB AVAL A 63 58.176 51.766 23.662 0.50 19.09 C ATOM 516 CB BVAL A 63 58.467 51.793 23.327 0.50 19.16 C ATOM 517 CG1AVAL A 63 58.140 51.673 22.162 0.50 16.97 C ATOM 518 CG1BVAL A 63 57.173 51.335 24.012 0.50 19.22 C ATOM 519 CG2AVAL A 63 57.149 50.826 24.284 0.50 18.39 C ATOM 520 CG2BVAL A 63 58.448 53.236 22.901 0.50 17.66 C ATOM 0 H AVAL A 63 59.757 49.588 24.736 0.50 18.68 H new ATOM 0 H BVAL A 63 59.717 49.596 24.722 0.50 18.68 H new ATOM 0 HA AVAL A 63 60.253 52.033 23.752 0.50 19.74 H new ATOM 0 HA BVAL A 63 60.413 52.077 23.906 0.50 19.74 H new ATOM 0 HB AVAL A 63 57.944 52.678 23.896 0.50 19.16 H new ATOM 0 HB BVAL A 63 58.536 51.274 22.511 0.50 19.16 H new ATOM 0 HG11AVAL A 63 57.238 51.842 21.849 0.50 19.22 H new ATOM 0 HG11BVAL A 63 56.417 51.526 23.436 0.50 19.22 H new ATOM 0 HG12AVAL A 63 58.742 52.332 21.782 0.50 19.22 H new ATOM 0 HG12BVAL A 63 57.217 50.381 24.182 0.50 19.22 H new ATOM 0 HG13AVAL A 63 58.417 50.785 21.886 0.50 19.22 H new ATOM 0 HG13BVAL A 63 57.066 51.808 24.852 0.50 19.22 H new ATOM 0 HG21AVAL A 63 56.274 51.008 23.907 0.50 17.66 H new ATOM 0 HG21BVAL A 63 57.673 53.398 22.341 0.50 17.66 H new ATOM 0 HG22AVAL A 63 57.397 49.907 24.097 0.50 17.66 H new ATOM 0 HG22BVAL A 63 58.404 53.805 23.686 0.50 17.66 H new ATOM 0 HG23AVAL A 63 57.122 50.965 25.244 0.50 17.66 H new ATOM 0 HG23BVAL A 63 59.255 53.437 22.401 0.50 17.66 H new ATOM 521 N ASP A 64 59.755 53.126 26.043 1.00 22.12 N ATOM 522 CA ASP A 64 59.510 53.603 27.402 1.00 23.90 C ATOM 523 C ASP A 64 58.001 53.362 27.719 1.00 25.13 C ATOM 524 O ASP A 64 57.193 53.600 26.877 1.00 23.31 O ATOM 525 CB ASP A 64 59.862 55.082 27.450 1.00 25.20 C ATOM 526 CG ASP A 64 59.255 55.779 28.629 1.00 28.66 C ATOM 527 OD1 ASP A 64 59.750 55.602 29.755 1.00 35.12 O ATOM 528 OD2 ASP A 64 58.287 56.526 28.417 1.00 36.56 O ATOM 0 H ASP A 64 60.051 53.724 25.501 1.00 22.12 H new ATOM 0 HA ASP A 64 60.048 53.137 28.061 1.00 23.90 H new ATOM 0 HB2 ASP A 64 60.826 55.181 27.481 1.00 25.20 H new ATOM 0 HB3 ASP A 64 59.559 55.510 26.634 1.00 25.20 H new ATOM 529 N PRO A 65 57.652 52.809 28.900 1.00 27.38 N ATOM 530 CA PRO A 65 56.249 52.499 29.208 1.00 29.15 C ATOM 531 C PRO A 65 55.255 53.629 28.931 1.00 31.06 C ATOM 532 O PRO A 65 54.210 53.387 28.363 1.00 31.69 O ATOM 533 CB PRO A 65 56.302 52.160 30.685 1.00 29.73 C ATOM 534 CG PRO A 65 57.679 51.528 30.853 1.00 29.76 C ATOM 535 CD PRO A 65 58.560 52.362 29.981 1.00 27.95 C ATOM 0 HA PRO A 65 55.916 51.789 28.637 1.00 29.15 H new ATOM 0 HB2 PRO A 65 56.202 52.951 31.237 1.00 29.73 H new ATOM 0 HB3 PRO A 65 55.594 51.547 30.937 1.00 29.73 H new ATOM 0 HG2 PRO A 65 57.970 51.549 31.778 1.00 29.76 H new ATOM 0 HG3 PRO A 65 57.681 50.598 30.576 1.00 29.76 H new ATOM 0 HD2 PRO A 65 58.935 53.114 30.466 1.00 27.95 H new ATOM 0 HD3 PRO A 65 59.306 51.849 29.632 1.00 27.95 H new ATOM 536 N GLU A 66 55.607 54.859 29.266 1.00 32.73 N ATOM 537 CA GLU A 66 54.693 55.945 29.051 1.00 33.99 C ATOM 538 C GLU A 66 54.424 56.127 27.602 1.00 34.11 C ATOM 539 O GLU A 66 53.270 56.369 27.192 1.00 34.73 O ATOM 540 CB GLU A 66 55.234 57.271 29.582 1.00 34.34 C ATOM 541 CG GLU A 66 54.105 58.312 29.787 1.00 36.66 C ATOM 542 CD GLU A 66 54.574 59.621 30.458 1.00 39.27 C ATOM 543 OE1 GLU A 66 55.333 59.542 31.478 1.00 44.07 O ATOM 544 OE2 GLU A 66 54.187 60.719 29.948 1.00 47.21 O ATOM 0 H GLU A 66 56.362 55.077 29.614 1.00 32.73 H new ATOM 0 HA GLU A 66 53.883 55.711 29.530 1.00 33.99 H new ATOM 0 HB2 GLU A 66 55.691 57.120 30.424 1.00 34.34 H new ATOM 0 HB3 GLU A 66 55.891 57.624 28.962 1.00 34.34 H new ATOM 0 HG2 GLU A 66 53.712 58.523 28.926 1.00 36.66 H new ATOM 0 HG3 GLU A 66 53.405 57.914 30.328 1.00 36.66 H new ATOM 545 N ARG A 67 55.503 56.083 26.826 1.00 33.33 N ATOM 546 CA ARG A 67 55.394 56.315 25.406 1.00 32.77 C ATOM 547 C ARG A 67 54.644 55.174 24.698 1.00 31.50 C ATOM 548 O ARG A 67 53.910 55.427 23.779 1.00 29.48 O ATOM 549 CB ARG A 67 56.755 56.536 24.767 1.00 32.76 C ATOM 550 CG ARG A 67 56.595 56.667 23.284 1.00 34.19 C ATOM 551 CD ARG A 67 57.743 57.291 22.635 1.00 35.22 C ATOM 552 NE ARG A 67 57.414 57.790 21.300 1.00 36.44 N ATOM 553 CZ ARG A 67 58.335 58.008 20.375 1.00 36.07 C ATOM 554 NH1 ARG A 67 59.624 57.757 20.626 1.00 35.49 N ATOM 555 NH2 ARG A 67 57.973 58.465 19.195 1.00 34.86 N ATOM 0 H ARG A 67 56.299 55.921 27.107 1.00 33.33 H new ATOM 0 HA ARG A 67 54.875 57.127 25.295 1.00 32.77 H new ATOM 0 HB2 ARG A 67 57.167 57.336 25.129 1.00 32.76 H new ATOM 0 HB3 ARG A 67 57.345 55.794 24.974 1.00 32.76 H new ATOM 0 HG2 ARG A 67 56.453 55.787 22.901 1.00 34.19 H new ATOM 0 HG3 ARG A 67 55.800 57.190 23.095 1.00 34.19 H new ATOM 0 HD2 ARG A 67 58.064 58.024 23.183 1.00 35.22 H new ATOM 0 HD3 ARG A 67 58.466 56.647 22.570 1.00 35.22 H new ATOM 0 HE ARG A 67 56.590 57.948 21.109 1.00 36.44 H new ATOM 0 HH11 ARG A 67 59.861 57.451 21.394 1.00 35.49 H new ATOM 0 HH12 ARG A 67 60.216 57.901 20.019 1.00 35.49 H new ATOM 0 HH21 ARG A 67 57.143 58.620 19.030 1.00 34.86 H new ATOM 0 HH22 ARG A 67 58.566 58.609 18.589 1.00 34.86 H new ATOM 556 N GLY A 68 54.857 53.937 25.131 1.00 31.14 N ATOM 557 CA GLY A 68 54.091 52.792 24.624 1.00 32.47 C ATOM 558 C GLY A 68 52.590 52.966 24.846 1.00 32.71 C ATOM 559 O GLY A 68 51.778 52.696 23.953 1.00 32.64 O ATOM 0 H GLY A 68 55.446 53.733 25.724 1.00 31.14 H new ATOM 0 HA2 GLY A 68 54.266 52.680 23.677 1.00 32.47 H new ATOM 0 HA3 GLY A 68 54.391 51.982 25.065 1.00 32.47 H new ATOM 560 N GLU A 69 52.223 53.431 26.036 1.00 33.87 N ATOM 561 CA GLU A 69 50.824 53.764 26.314 1.00 34.52 C ATOM 562 C GLU A 69 50.297 54.839 25.325 1.00 34.22 C ATOM 563 O GLU A 69 49.269 54.636 24.701 1.00 32.75 O ATOM 564 CB GLU A 69 50.654 54.132 27.806 1.00 35.34 C ATOM 565 CG GLU A 69 49.296 54.681 28.248 1.00 37.86 C ATOM 566 CD GLU A 69 48.141 53.693 28.089 1.00 47.04 C ATOM 567 OE1 GLU A 69 48.342 52.470 28.354 1.00 50.51 O ATOM 568 OE2 GLU A 69 47.026 54.158 27.699 1.00 52.52 O ATOM 0 H GLU A 69 52.762 53.561 26.693 1.00 33.87 H new ATOM 0 HA GLU A 69 50.265 52.987 26.161 1.00 34.52 H new ATOM 0 HB2 GLU A 69 50.842 53.340 28.333 1.00 35.34 H new ATOM 0 HB3 GLU A 69 51.330 54.790 28.031 1.00 35.34 H new ATOM 0 HG2 GLU A 69 49.354 54.949 29.178 1.00 37.86 H new ATOM 0 HG3 GLU A 69 49.098 55.480 27.735 1.00 37.86 H new ATOM 569 N GLU A 70 51.033 55.936 25.123 1.00 34.81 N ATOM 570 CA GLU A 70 50.641 56.932 24.114 1.00 35.45 C ATOM 571 C GLU A 70 50.501 56.314 22.722 1.00 34.95 C ATOM 572 O GLU A 70 49.486 56.508 22.049 1.00 35.25 O ATOM 573 CB GLU A 70 51.618 58.109 23.986 1.00 35.85 C ATOM 574 CG GLU A 70 52.341 58.527 25.252 1.00 39.59 C ATOM 575 CD GLU A 70 53.184 59.789 25.076 1.00 38.88 C ATOM 576 OE1 GLU A 70 52.603 60.881 24.982 1.00 46.51 O ATOM 577 OE2 GLU A 70 54.434 59.690 25.040 1.00 46.93 O ATOM 0 H GLU A 70 51.754 56.123 25.553 1.00 34.81 H new ATOM 0 HA GLU A 70 49.788 57.262 24.437 1.00 35.45 H new ATOM 0 HB2 GLU A 70 52.283 57.881 23.318 1.00 35.85 H new ATOM 0 HB3 GLU A 70 51.128 58.875 23.649 1.00 35.85 H new ATOM 0 HG2 GLU A 70 51.690 58.676 25.955 1.00 39.59 H new ATOM 0 HG3 GLU A 70 52.914 57.801 25.545 1.00 39.59 H new ATOM 578 N LEU A 71 51.527 55.591 22.277 1.00 33.76 N ATOM 579 CA LEU A 71 51.515 54.993 20.952 1.00 33.20 C ATOM 580 C LEU A 71 50.290 54.101 20.795 1.00 32.38 C ATOM 581 O LEU A 71 49.664 54.116 19.764 1.00 31.21 O ATOM 582 CB LEU A 71 52.775 54.166 20.719 1.00 32.54 C ATOM 583 CG LEU A 71 54.043 54.990 20.565 1.00 31.78 C ATOM 584 CD1 LEU A 71 55.281 54.101 20.503 1.00 33.28 C ATOM 585 CD2 LEU A 71 53.948 55.827 19.332 1.00 31.49 C ATOM 0 H LEU A 71 52.240 55.437 22.732 1.00 33.76 H new ATOM 0 HA LEU A 71 51.485 55.708 20.297 1.00 33.20 H new ATOM 0 HB2 LEU A 71 52.889 53.552 21.462 1.00 32.54 H new ATOM 0 HB3 LEU A 71 52.653 53.627 19.922 1.00 32.54 H new ATOM 0 HG LEU A 71 54.131 55.563 21.342 1.00 31.78 H new ATOM 0 HD11 LEU A 71 56.072 54.654 20.405 1.00 33.28 H new ATOM 0 HD12 LEU A 71 55.349 53.583 21.320 1.00 33.28 H new ATOM 0 HD13 LEU A 71 55.211 53.500 19.745 1.00 33.28 H new ATOM 0 HD21 LEU A 71 54.757 56.353 19.234 1.00 31.49 H new ATOM 0 HD22 LEU A 71 53.841 55.252 18.558 1.00 31.49 H new ATOM 0 HD23 LEU A 71 53.184 56.421 19.402 1.00 31.49 H new ATOM 586 N ARG A 72 49.960 53.326 21.819 1.00 32.91 N ATOM 587 CA ARG A 72 48.861 52.382 21.688 1.00 34.62 C ATOM 588 C ARG A 72 47.515 53.082 21.659 1.00 34.64 C ATOM 589 O ARG A 72 46.573 52.536 21.091 1.00 34.45 O ATOM 590 CB ARG A 72 48.902 51.326 22.771 1.00 35.12 C ATOM 591 CG ARG A 72 49.950 50.283 22.468 1.00 39.37 C ATOM 592 CD ARG A 72 50.465 49.716 23.746 1.00 44.02 C ATOM 593 NE ARG A 72 49.357 49.122 24.450 1.00 46.99 N ATOM 594 CZ ARG A 72 49.293 48.975 25.766 1.00 50.11 C ATOM 595 NH1 ARG A 72 50.295 49.402 26.563 1.00 50.04 N ATOM 596 NH2 ARG A 72 48.202 48.403 26.280 1.00 49.13 N ATOM 0 H ARG A 72 50.351 53.330 22.585 1.00 32.91 H new ATOM 0 HA ARG A 72 48.974 51.935 20.835 1.00 34.62 H new ATOM 0 HB2 ARG A 72 49.092 51.742 23.626 1.00 35.12 H new ATOM 0 HB3 ARG A 72 48.032 50.903 22.848 1.00 35.12 H new ATOM 0 HG2 ARG A 72 49.571 49.579 21.919 1.00 39.37 H new ATOM 0 HG3 ARG A 72 50.677 50.678 21.961 1.00 39.37 H new ATOM 0 HD2 ARG A 72 51.150 49.052 23.570 1.00 44.02 H new ATOM 0 HD3 ARG A 72 50.875 50.411 24.284 1.00 44.02 H new ATOM 0 HE ARG A 72 48.690 48.843 23.984 1.00 46.99 H new ATOM 0 HH11 ARG A 72 50.989 49.776 26.219 1.00 50.04 H new ATOM 0 HH12 ARG A 72 50.240 49.300 27.415 1.00 50.04 H new ATOM 0 HH21 ARG A 72 47.568 48.143 25.761 1.00 49.13 H new ATOM 0 HH22 ARG A 72 48.133 48.295 27.130 1.00 49.13 H new ATOM 597 N GLN A 73 47.469 54.298 22.216 1.00 34.64 N ATOM 598 CA AGLN A 73 46.262 55.132 22.180 0.50 34.70 C ATOM 599 CA BGLN A 73 46.271 55.141 22.179 0.50 34.58 C ATOM 600 C GLN A 73 46.180 55.909 20.846 1.00 34.28 C ATOM 601 O GLN A 73 45.105 56.084 20.282 1.00 35.10 O ATOM 602 CB AGLN A 73 46.169 56.048 23.440 0.50 34.85 C ATOM 603 CB BGLN A 73 46.266 56.120 23.373 0.50 34.97 C ATOM 604 CG AGLN A 73 46.571 57.538 23.277 0.50 35.41 C ATOM 605 CG BGLN A 73 44.932 56.199 24.110 0.50 36.00 C ATOM 606 CD AGLN A 73 46.462 58.334 24.596 0.50 36.38 C ATOM 607 CD BGLN A 73 44.772 55.070 25.111 0.50 37.87 C ATOM 608 OE1AGLN A 73 45.398 58.366 25.225 0.50 40.08 O ATOM 609 OE1BGLN A 73 45.636 54.861 25.968 0.50 39.47 O ATOM 610 NE2AGLN A 73 47.563 58.979 25.012 0.50 35.93 N ATOM 611 NE2BGLN A 73 43.666 54.338 25.015 0.50 36.97 N ATOM 0 H AGLN A 73 48.134 54.660 22.623 0.50 34.64 H new ATOM 0 H BGLN A 73 48.134 54.656 22.626 0.50 34.64 H new ATOM 0 HA AGLN A 73 45.481 54.558 22.214 0.50 34.58 H new ATOM 0 HA BGLN A 73 45.492 54.567 22.247 0.50 34.58 H new ATOM 0 HB2AGLN A 73 45.255 56.019 23.764 0.50 34.97 H new ATOM 0 HB2BGLN A 73 46.956 55.853 24.001 0.50 34.97 H new ATOM 0 HB3AGLN A 73 46.728 55.662 24.132 0.50 34.97 H new ATOM 0 HB3BGLN A 73 46.501 57.005 23.054 0.50 34.97 H new ATOM 0 HG2AGLN A 73 47.482 57.589 22.948 0.50 36.00 H new ATOM 0 HG2BGLN A 73 44.867 57.050 24.570 0.50 36.00 H new ATOM 0 HG3AGLN A 73 46.004 57.951 22.607 0.50 36.00 H new ATOM 0 HG3BGLN A 73 44.206 56.167 23.468 0.50 36.00 H new ATOM 0 HE21AGLN A 73 48.287 58.936 24.550 0.50 36.97 H new ATOM 0 HE21BGLN A 73 43.086 54.513 24.405 0.50 36.97 H new ATOM 0 HE22AGLN A 73 47.544 59.436 25.741 0.50 36.97 H new ATOM 0 HE22BGLN A 73 43.531 53.689 25.563 0.50 36.97 H new ATOM 612 N ALA A 74 47.309 56.339 20.316 1.00 33.14 N ATOM 613 CA ALA A 74 47.322 57.014 19.027 1.00 32.44 C ATOM 614 C ALA A 74 47.119 56.120 17.796 1.00 31.76 C ATOM 615 O ALA A 74 46.773 56.630 16.699 1.00 31.71 O ATOM 616 CB ALA A 74 48.626 57.746 18.876 1.00 32.79 C ATOM 0 H ALA A 74 48.081 56.252 20.684 1.00 33.14 H new ATOM 0 HA ALA A 74 46.554 57.606 19.045 1.00 32.44 H new ATOM 0 HB1 ALA A 74 48.645 58.200 18.019 1.00 32.79 H new ATOM 0 HB2 ALA A 74 48.716 58.398 19.589 1.00 32.79 H new ATOM 0 HB3 ALA A 74 49.360 57.113 18.923 1.00 32.79 H new ATOM 617 N HIS A 75 47.390 54.812 17.934 1.00 30.54 N ATOM 618 CA HIS A 75 47.316 53.876 16.785 1.00 29.42 C ATOM 619 C HIS A 75 46.784 52.525 17.233 1.00 28.72 C ATOM 620 O HIS A 75 47.465 51.521 17.065 1.00 27.21 O ATOM 621 CB HIS A 75 48.712 53.643 16.190 1.00 29.71 C ATOM 622 CG HIS A 75 49.425 54.893 15.784 1.00 28.86 C ATOM 623 ND1 HIS A 75 49.208 55.512 14.576 1.00 31.18 N ATOM 624 CD2 HIS A 75 50.381 55.622 16.415 1.00 30.33 C ATOM 625 CE1 HIS A 75 49.987 56.580 14.487 1.00 32.16 C ATOM 626 NE2 HIS A 75 50.702 56.671 15.596 1.00 28.90 N ATOM 0 H HIS A 75 47.617 54.445 18.678 1.00 30.54 H new ATOM 0 HA HIS A 75 46.726 54.273 16.125 1.00 29.42 H new ATOM 0 HB2 HIS A 75 49.255 53.171 16.841 1.00 29.71 H new ATOM 0 HB3 HIS A 75 48.630 53.064 15.416 1.00 29.71 H new ATOM 0 HD1 HIS A 75 48.654 55.248 13.973 1.00 31.18 H new ATOM 0 HD2 HIS A 75 50.750 55.442 17.250 1.00 30.33 H new ATOM 0 HE1 HIS A 75 50.025 57.167 13.766 1.00 32.16 H new ATOM 627 N PRO A 76 45.546 52.488 17.788 1.00 28.43 N ATOM 628 CA PRO A 76 45.017 51.286 18.491 1.00 27.25 C ATOM 629 C PRO A 76 44.796 50.089 17.574 1.00 26.38 C ATOM 630 O PRO A 76 44.861 48.927 18.012 1.00 23.92 O ATOM 631 CB PRO A 76 43.682 51.762 19.055 1.00 27.25 C ATOM 632 CG PRO A 76 43.323 52.990 18.218 1.00 28.80 C ATOM 633 CD PRO A 76 44.578 53.603 17.742 1.00 28.57 C ATOM 0 HA PRO A 76 45.647 50.970 19.158 1.00 27.25 H new ATOM 0 HB2 PRO A 76 43.002 51.074 18.981 1.00 27.25 H new ATOM 0 HB3 PRO A 76 43.757 51.986 19.996 1.00 27.25 H new ATOM 0 HG2 PRO A 76 42.764 52.736 17.467 1.00 28.80 H new ATOM 0 HG3 PRO A 76 42.816 53.625 18.748 1.00 28.80 H new ATOM 0 HD2 PRO A 76 44.484 53.958 16.844 1.00 28.57 H new ATOM 0 HD3 PRO A 76 44.854 54.339 18.310 1.00 28.57 H new ATOM 634 N GLN A 77 44.544 50.356 16.301 1.00 25.67 N ATOM 635 CA GLN A 77 44.372 49.275 15.357 1.00 25.90 C ATOM 636 C GLN A 77 45.714 48.684 14.874 1.00 25.33 C ATOM 637 O GLN A 77 45.691 47.633 14.298 1.00 25.74 O ATOM 638 CB GLN A 77 43.526 49.722 14.149 1.00 26.34 C ATOM 639 CG GLN A 77 42.041 49.609 14.416 1.00 27.96 C ATOM 640 CD GLN A 77 41.567 50.627 15.426 1.00 26.61 C ATOM 641 OE1 GLN A 77 41.621 51.822 15.171 1.00 28.06 O ATOM 642 NE2 GLN A 77 41.161 50.160 16.595 1.00 27.60 N ATOM 0 H GLN A 77 44.470 51.146 15.970 1.00 25.67 H new ATOM 0 HA GLN A 77 43.901 48.573 15.833 1.00 25.90 H new ATOM 0 HB2 GLN A 77 43.744 50.641 13.926 1.00 26.34 H new ATOM 0 HB3 GLN A 77 43.756 49.181 13.377 1.00 26.34 H new ATOM 0 HG2 GLN A 77 41.554 49.728 13.585 1.00 27.96 H new ATOM 0 HG3 GLN A 77 41.838 48.717 14.738 1.00 27.96 H new ATOM 0 HE21 GLN A 77 41.138 49.312 16.735 1.00 27.60 H new ATOM 0 HE22 GLN A 77 40.920 50.705 17.216 1.00 27.60 H new ATOM 643 N SER A 78 46.843 49.367 15.112 1.00 24.94 N ATOM 644 CA SER A 78 48.166 49.041 14.522 1.00 24.26 C ATOM 645 C SER A 78 49.306 48.775 15.523 1.00 23.71 C ATOM 646 O SER A 78 50.378 48.201 15.156 1.00 22.83 O ATOM 647 CB SER A 78 48.606 50.150 13.585 1.00 24.15 C ATOM 648 OG SER A 78 47.793 50.192 12.434 1.00 24.02 O ATOM 0 H SER A 78 46.867 50.051 15.633 1.00 24.94 H new ATOM 0 HA SER A 78 48.016 48.202 14.059 1.00 24.26 H new ATOM 0 HB2 SER A 78 48.564 51.003 14.046 1.00 24.15 H new ATOM 0 HB3 SER A 78 49.531 50.012 13.327 1.00 24.15 H new ATOM 0 HG SER A 78 48.277 50.162 11.748 1.00 24.02 H new ATOM 649 N ILE A 79 49.091 49.160 16.777 1.00 23.03 N ATOM 650 CA ILE A 79 50.090 48.953 17.823 1.00 22.58 C ATOM 651 C ILE A 79 49.456 48.285 19.008 1.00 22.66 C ATOM 652 O ILE A 79 48.550 48.838 19.571 1.00 24.47 O ATOM 653 CB ILE A 79 50.727 50.252 18.254 1.00 22.50 C ATOM 654 CG1 ILE A 79 51.321 50.964 17.014 1.00 21.95 C ATOM 655 CG2 ILE A 79 51.836 49.970 19.371 1.00 23.51 C ATOM 656 CD1 ILE A 79 52.145 52.142 17.347 1.00 20.90 C ATOM 0 H ILE A 79 48.370 49.545 17.045 1.00 23.03 H new ATOM 0 HA ILE A 79 50.787 48.386 17.457 1.00 22.58 H new ATOM 0 HB ILE A 79 50.062 50.838 18.648 1.00 22.50 H new ATOM 0 HG12 ILE A 79 51.861 50.331 16.515 1.00 21.95 H new ATOM 0 HG13 ILE A 79 50.597 51.240 16.431 1.00 21.95 H new ATOM 0 HG21 ILE A 79 52.241 50.808 19.644 1.00 23.51 H new ATOM 0 HG22 ILE A 79 51.422 49.547 20.139 1.00 23.51 H new ATOM 0 HG23 ILE A 79 52.519 49.384 19.009 1.00 23.51 H new ATOM 0 HD11 ILE A 79 52.485 52.540 16.531 1.00 20.90 H new ATOM 0 HD12 ILE A 79 51.604 52.792 17.822 1.00 20.90 H new ATOM 0 HD13 ILE A 79 52.888 51.869 17.908 1.00 20.90 H new ATOM 657 N ALA A 80 49.946 47.087 19.337 1.00 22.64 N ATOM 658 CA ALA A 80 49.452 46.218 20.375 1.00 22.20 C ATOM 659 C ALA A 80 50.510 45.968 21.462 1.00 22.49 C ATOM 660 O ALA A 80 51.710 46.121 21.226 1.00 22.31 O ATOM 661 CB ALA A 80 49.048 44.852 19.741 1.00 22.51 C ATOM 0 H ALA A 80 50.621 46.749 18.925 1.00 22.64 H new ATOM 0 HA ALA A 80 48.689 46.649 20.790 1.00 22.20 H new ATOM 0 HB1 ALA A 80 48.714 44.260 20.433 1.00 22.51 H new ATOM 0 HB2 ALA A 80 48.356 44.995 19.077 1.00 22.51 H new ATOM 0 HB3 ALA A 80 49.823 44.450 19.318 1.00 22.51 H new ATOM 662 N PRO A 81 50.077 45.487 22.632 1.00 22.66 N ATOM 663 CA PRO A 81 51.044 45.066 23.642 1.00 22.30 C ATOM 664 C PRO A 81 51.976 43.980 23.036 1.00 22.50 C ATOM 665 O PRO A 81 51.538 43.232 22.178 1.00 21.61 O ATOM 666 CB PRO A 81 50.134 44.489 24.754 1.00 22.06 C ATOM 667 CG PRO A 81 48.843 45.270 24.598 1.00 24.39 C ATOM 668 CD PRO A 81 48.684 45.254 23.085 1.00 23.01 C ATOM 0 HA PRO A 81 51.628 45.769 23.968 1.00 22.30 H new ATOM 0 HB2 PRO A 81 49.991 43.536 24.640 1.00 22.06 H new ATOM 0 HB3 PRO A 81 50.523 44.614 25.634 1.00 22.06 H new ATOM 0 HG2 PRO A 81 48.098 44.844 25.051 1.00 24.39 H new ATOM 0 HG3 PRO A 81 48.913 46.171 24.951 1.00 24.39 H new ATOM 0 HD2 PRO A 81 48.334 44.408 22.765 1.00 23.01 H new ATOM 0 HD3 PRO A 81 48.080 45.947 22.775 1.00 23.01 H new ATOM 669 N GLY A 82 53.250 43.916 23.442 1.00 22.16 N ATOM 670 CA GLY A 82 54.178 42.983 22.850 1.00 22.08 C ATOM 671 C GLY A 82 53.764 41.524 22.866 1.00 22.05 C ATOM 672 O GLY A 82 53.561 40.932 23.900 1.00 20.64 O ATOM 0 H GLY A 82 53.585 44.410 24.061 1.00 22.16 H new ATOM 0 HA2 GLY A 82 54.329 43.247 21.929 1.00 22.08 H new ATOM 0 HA3 GLY A 82 55.027 43.064 23.311 1.00 22.08 H new ATOM 673 N TYR A 83 53.701 40.942 21.689 1.00 24.02 N ATOM 674 CA TYR A 83 53.290 39.543 21.482 1.00 24.51 C ATOM 675 C TYR A 83 54.311 38.523 22.000 1.00 24.06 C ATOM 676 O TYR A 83 55.423 38.444 21.505 1.00 22.68 O ATOM 677 CB TYR A 83 53.061 39.328 19.977 1.00 27.15 C ATOM 678 CG TYR A 83 52.621 37.945 19.651 1.00 28.36 C ATOM 679 CD1 TYR A 83 51.351 37.503 20.006 1.00 31.66 C ATOM 680 CD2 TYR A 83 53.494 37.040 19.000 1.00 32.10 C ATOM 681 CE1 TYR A 83 50.944 36.203 19.720 1.00 31.06 C ATOM 682 CE2 TYR A 83 53.095 35.741 18.713 1.00 31.14 C ATOM 683 CZ TYR A 83 51.806 35.340 19.088 1.00 32.19 C ATOM 684 OH TYR A 83 51.396 34.050 18.838 1.00 35.10 O ATOM 0 H TYR A 83 53.899 41.349 20.958 1.00 24.02 H new ATOM 0 HA TYR A 83 52.478 39.395 21.992 1.00 24.51 H new ATOM 0 HB2 TYR A 83 52.393 39.958 19.663 1.00 27.15 H new ATOM 0 HB3 TYR A 83 53.882 39.523 19.498 1.00 27.15 H new ATOM 0 HD1 TYR A 83 50.767 38.083 20.439 1.00 31.66 H new ATOM 0 HD2 TYR A 83 54.348 37.320 18.761 1.00 32.10 H new ATOM 0 HE1 TYR A 83 50.090 35.919 19.956 1.00 31.06 H new ATOM 0 HE2 TYR A 83 53.670 35.151 18.282 1.00 31.14 H new ATOM 0 HH TYR A 83 52.011 33.630 18.450 1.00 35.10 H new ATOM 685 N HIS A 84 53.905 37.735 22.990 1.00 23.67 N ATOM 686 CA HIS A 84 54.802 36.832 23.721 1.00 24.10 C ATOM 687 C HIS A 84 55.990 37.564 24.316 1.00 22.08 C ATOM 688 O HIS A 84 57.077 36.990 24.426 1.00 21.80 O ATOM 689 CB HIS A 84 55.323 35.711 22.822 1.00 25.62 C ATOM 690 CG HIS A 84 54.287 34.693 22.454 1.00 30.99 C ATOM 691 ND1 HIS A 84 54.606 33.516 21.808 1.00 30.66 N ATOM 692 CD2 HIS A 84 52.942 34.683 22.620 1.00 34.85 C ATOM 693 CE1 HIS A 84 53.506 32.808 21.621 1.00 34.79 C ATOM 694 NE2 HIS A 84 52.481 33.497 22.097 1.00 37.22 N ATOM 0 H HIS A 84 53.090 37.706 23.263 1.00 23.67 H new ATOM 0 HA HIS A 84 54.271 36.455 24.440 1.00 24.10 H new ATOM 0 HB2 HIS A 84 55.683 36.101 22.010 1.00 25.62 H new ATOM 0 HB3 HIS A 84 56.057 35.264 23.271 1.00 25.62 H new ATOM 0 HD2 HIS A 84 52.428 35.351 23.013 1.00 34.85 H new ATOM 0 HE1 HIS A 84 53.460 31.969 21.223 1.00 34.79 H new ATOM 0 HE2 HIS A 84 51.659 33.244 22.082 1.00 37.22 H new ATOM 695 N LEU A 85 55.809 38.834 24.687 1.00 20.06 N ATOM 696 CA LEU A 85 56.916 39.590 25.252 1.00 19.71 C ATOM 697 C LEU A 85 56.454 40.298 26.488 1.00 18.36 C ATOM 698 O LEU A 85 55.278 40.349 26.743 1.00 18.81 O ATOM 699 CB LEU A 85 57.475 40.618 24.236 1.00 18.43 C ATOM 700 CG LEU A 85 58.051 40.047 22.956 1.00 18.26 C ATOM 701 CD1 LEU A 85 57.983 41.063 21.804 1.00 19.66 C ATOM 702 CD2 LEU A 85 59.452 39.457 23.188 1.00 16.84 C ATOM 0 H LEU A 85 55.067 39.264 24.620 1.00 20.06 H new ATOM 0 HA LEU A 85 57.629 38.970 25.472 1.00 19.71 H new ATOM 0 HB2 LEU A 85 56.763 41.234 24.002 1.00 18.43 H new ATOM 0 HB3 LEU A 85 58.166 41.137 24.676 1.00 18.43 H new ATOM 0 HG LEU A 85 57.497 39.302 22.675 1.00 18.26 H new ATOM 0 HD11 LEU A 85 58.358 40.668 21.001 1.00 19.66 H new ATOM 0 HD12 LEU A 85 57.058 41.307 21.642 1.00 19.66 H new ATOM 0 HD13 LEU A 85 58.489 41.856 22.041 1.00 19.66 H new ATOM 0 HD21 LEU A 85 59.795 39.100 22.354 1.00 16.84 H new ATOM 0 HD22 LEU A 85 60.047 40.152 23.510 1.00 16.84 H new ATOM 0 HD23 LEU A 85 59.399 38.746 23.846 1.00 16.84 H new ATOM 703 N ASN A 86 57.393 40.890 27.212 1.00 18.61 N ATOM 704 CA ASN A 86 57.110 41.698 28.407 1.00 19.32 C ATOM 705 C ASN A 86 56.356 42.949 28.011 1.00 19.68 C ATOM 706 O ASN A 86 56.943 43.887 27.466 1.00 18.15 O ATOM 707 CB ASN A 86 58.441 42.083 29.068 1.00 18.68 C ATOM 708 CG ASN A 86 58.275 42.614 30.467 1.00 18.15 C ATOM 709 OD1 ASN A 86 57.238 43.171 30.790 1.00 16.09 O ATOM 710 ND2 ASN A 86 59.324 42.456 31.311 1.00 16.32 N ATOM 0 H ASN A 86 58.231 40.837 27.025 1.00 18.61 H new ATOM 0 HA ASN A 86 56.568 41.188 29.029 1.00 19.32 H new ATOM 0 HB2 ASN A 86 59.022 41.306 29.090 1.00 18.68 H new ATOM 0 HB3 ASN A 86 58.884 42.753 28.524 1.00 18.68 H new ATOM 0 HD21 ASN A 86 59.277 42.755 32.116 1.00 16.32 H new ATOM 0 HD22 ASN A 86 60.036 42.057 31.041 1.00 16.32 H new ATOM 711 N LYS A 87 55.057 42.976 28.318 1.00 20.86 N ATOM 712 CA ALYS A 87 54.193 44.016 27.787 0.50 21.35 C ATOM 713 CA BLYS A 87 54.160 44.004 27.827 0.50 21.10 C ATOM 714 C LYS A 87 54.336 45.328 28.590 1.00 21.42 C ATOM 715 O LYS A 87 53.784 46.340 28.224 1.00 21.01 O ATOM 716 CB ALYS A 87 52.740 43.522 27.681 0.50 22.44 C ATOM 717 CB BLYS A 87 52.714 43.491 27.887 0.50 22.01 C ATOM 718 CG ALYS A 87 52.560 42.425 26.606 0.50 23.25 C ATOM 719 CG BLYS A 87 52.512 42.296 26.959 0.50 22.52 C ATOM 720 CD ALYS A 87 51.296 41.589 26.784 0.50 23.11 C ATOM 721 CD BLYS A 87 51.298 41.466 27.262 0.50 21.78 C ATOM 722 CE ALYS A 87 51.500 40.124 26.388 0.50 24.82 C ATOM 723 CE BLYS A 87 51.183 40.361 26.216 0.50 22.23 C ATOM 724 NZ ALYS A 87 51.362 39.827 24.928 0.50 25.47 N ATOM 725 NZ BLYS A 87 52.398 39.448 26.158 0.50 19.25 N ATOM 0 H ALYS A 87 54.665 42.405 28.827 0.50 20.86 H new ATOM 0 H BLYS A 87 54.676 42.391 28.821 0.50 20.86 H new ATOM 0 HA ALYS A 87 54.478 44.224 26.883 0.50 21.10 H new ATOM 0 HA BLYS A 87 54.381 44.197 26.902 0.50 21.10 H new ATOM 0 HB2ALYS A 87 52.456 43.176 28.542 0.50 22.01 H new ATOM 0 HB2BLYS A 87 52.496 43.237 28.797 0.50 22.01 H new ATOM 0 HB3ALYS A 87 52.162 44.272 27.472 0.50 22.01 H new ATOM 0 HB3BLYS A 87 52.105 44.204 27.638 0.50 22.01 H new ATOM 0 HG2ALYS A 87 52.541 42.842 25.730 0.50 22.52 H new ATOM 0 HG2BLYS A 87 52.449 42.618 26.046 0.50 22.52 H new ATOM 0 HG3ALYS A 87 53.331 41.837 26.624 0.50 22.52 H new ATOM 0 HG3BLYS A 87 53.297 41.728 27.007 0.50 22.52 H new ATOM 0 HD2ALYS A 87 51.010 41.634 27.710 0.50 21.78 H new ATOM 0 HD2BLYS A 87 51.367 41.082 28.150 0.50 21.78 H new ATOM 0 HD3ALYS A 87 50.582 41.969 26.248 0.50 21.78 H new ATOM 0 HD3BLYS A 87 50.502 42.020 27.254 0.50 21.78 H new ATOM 0 HE2ALYS A 87 52.384 39.847 26.676 0.50 22.23 H new ATOM 0 HE2BLYS A 87 50.396 39.827 26.406 0.50 22.23 H new ATOM 0 HE3ALYS A 87 50.860 39.581 26.875 0.50 22.23 H new ATOM 0 HE3BLYS A 87 51.049 40.764 25.344 0.50 22.23 H new ATOM 0 HZ1ALYS A 87 51.248 38.952 24.812 0.50 19.25 H new ATOM 0 HZ1BLYS A 87 52.135 38.613 26.000 0.50 19.25 H new ATOM 0 HZ2ALYS A 87 50.658 40.263 24.601 0.50 19.25 H new ATOM 0 HZ2BLYS A 87 52.940 39.716 25.505 0.50 19.25 H new ATOM 0 HZ3ALYS A 87 52.097 40.089 24.501 0.50 19.25 H new ATOM 0 HZ3BLYS A 87 52.831 39.480 26.935 0.50 19.25 H new ATOM 726 N LYS A 88 55.118 45.305 29.666 1.00 21.68 N ATOM 727 CA LYS A 88 55.535 46.531 30.315 1.00 21.42 C ATOM 728 C LYS A 88 56.513 47.320 29.395 1.00 20.70 C ATOM 729 O LYS A 88 56.608 48.535 29.500 1.00 19.72 O ATOM 730 CB LYS A 88 56.242 46.224 31.657 1.00 22.02 C ATOM 731 CG LYS A 88 55.329 45.792 32.807 1.00 22.55 C ATOM 732 CD LYS A 88 56.039 45.623 34.199 1.00 23.18 C ATOM 733 CE LYS A 88 57.249 44.624 34.165 1.00 25.88 C ATOM 734 NZ LYS A 88 56.849 43.260 33.736 1.00 21.69 N ATOM 0 H LYS A 88 55.416 44.586 30.032 1.00 21.68 H new ATOM 0 HA LYS A 88 54.744 47.065 30.485 1.00 21.42 H new ATOM 0 HB2 LYS A 88 56.897 45.524 31.506 1.00 22.02 H new ATOM 0 HB3 LYS A 88 56.731 47.015 31.934 1.00 22.02 H new ATOM 0 HG2 LYS A 88 54.619 46.446 32.900 1.00 22.55 H new ATOM 0 HG3 LYS A 88 54.910 44.950 32.569 1.00 22.55 H new ATOM 0 HD2 LYS A 88 56.352 46.490 34.502 1.00 23.18 H new ATOM 0 HD3 LYS A 88 55.390 45.313 34.850 1.00 23.18 H new ATOM 0 HE2 LYS A 88 57.928 44.964 33.561 1.00 25.88 H new ATOM 0 HE3 LYS A 88 57.651 44.578 35.047 1.00 25.88 H new ATOM 0 HZ1 LYS A 88 57.363 42.658 34.142 1.00 21.69 H new ATOM 0 HZ2 LYS A 88 55.998 43.118 33.954 1.00 21.69 H new ATOM 0 HZ3 LYS A 88 56.946 43.186 32.854 1.00 21.69 H new ATOM 735 N HIS A 89 57.270 46.615 28.536 1.00 19.72 N ATOM 736 CA HIS A 89 58.370 47.252 27.783 1.00 19.27 C ATOM 737 C HIS A 89 58.342 47.111 26.277 1.00 18.39 C ATOM 738 O HIS A 89 58.985 47.888 25.569 1.00 20.11 O ATOM 739 CB HIS A 89 59.698 46.757 28.330 1.00 19.15 C ATOM 740 CG HIS A 89 59.877 47.033 29.795 1.00 20.17 C ATOM 741 ND1 HIS A 89 60.198 48.276 30.268 1.00 22.18 N ATOM 742 CD2 HIS A 89 59.735 46.244 30.886 1.00 21.76 C ATOM 743 CE1 HIS A 89 60.288 48.240 31.585 1.00 23.03 C ATOM 744 NE2 HIS A 89 60.014 47.016 31.987 1.00 19.61 N ATOM 0 H HIS A 89 57.165 45.777 28.376 1.00 19.72 H new ATOM 0 HA HIS A 89 58.246 48.204 27.924 1.00 19.27 H new ATOM 0 HB2 HIS A 89 59.768 45.802 28.176 1.00 19.15 H new ATOM 0 HB3 HIS A 89 60.420 47.177 27.838 1.00 19.15 H new ATOM 0 HD2 HIS A 89 59.493 45.346 30.889 1.00 21.76 H new ATOM 0 HE1 HIS A 89 60.508 48.957 32.135 1.00 23.03 H new ATOM 0 HE2 HIS A 89 60.010 46.745 32.803 1.00 19.61 H new ATOM 745 N TRP A 90 57.578 46.155 25.792 1.00 17.80 N ATOM 746 CA TRP A 90 57.476 45.846 24.320 1.00 17.10 C ATOM 747 C TRP A 90 56.099 46.109 23.707 1.00 15.99 C ATOM 748 O TRP A 90 55.064 45.789 24.281 1.00 15.40 O ATOM 749 CB TRP A 90 57.746 44.383 24.083 1.00 15.91 C ATOM 750 CG TRP A 90 59.116 43.933 24.346 1.00 14.90 C ATOM 751 CD1 TRP A 90 59.609 43.573 25.519 1.00 15.63 C ATOM 752 CD2 TRP A 90 60.176 43.781 23.394 1.00 17.55 C ATOM 753 NE1 TRP A 90 60.902 43.149 25.393 1.00 15.73 N ATOM 754 CE2 TRP A 90 61.286 43.268 24.094 1.00 16.03 C ATOM 755 CE3 TRP A 90 60.299 44.029 22.015 1.00 17.41 C ATOM 756 CZ2 TRP A 90 62.523 43.039 23.486 1.00 15.12 C ATOM 757 CZ3 TRP A 90 61.539 43.769 21.397 1.00 16.20 C ATOM 758 CH2 TRP A 90 62.625 43.297 22.136 1.00 15.81 C ATOM 0 H TRP A 90 57.090 45.648 26.286 1.00 17.80 H new ATOM 0 HA TRP A 90 58.124 46.436 23.905 1.00 17.10 H new ATOM 0 HB2 TRP A 90 57.142 43.866 24.639 1.00 15.91 H new ATOM 0 HB3 TRP A 90 57.528 44.177 23.160 1.00 15.91 H new ATOM 0 HD1 TRP A 90 59.139 43.604 26.321 1.00 15.63 H new ATOM 0 HE1 TRP A 90 61.394 42.854 26.033 1.00 15.73 H new ATOM 0 HE3 TRP A 90 59.581 44.356 21.523 1.00 17.41 H new ATOM 0 HZ2 TRP A 90 63.250 42.724 23.974 1.00 15.12 H new ATOM 0 HZ3 TRP A 90 61.635 43.914 20.483 1.00 16.20 H new ATOM 0 HH2 TRP A 90 63.437 43.153 21.707 1.00 15.81 H new ATOM 759 N VAL A 91 56.100 46.672 22.520 1.00 16.75 N ATOM 760 CA VAL A 91 54.886 46.768 21.701 1.00 17.34 C ATOM 761 C VAL A 91 55.146 46.042 20.383 1.00 17.92 C ATOM 762 O VAL A 91 56.302 45.822 20.020 1.00 18.42 O ATOM 763 CB VAL A 91 54.486 48.233 21.395 1.00 17.22 C ATOM 764 CG1 VAL A 91 54.001 48.981 22.708 1.00 19.24 C ATOM 765 CG2 VAL A 91 55.636 49.012 20.639 1.00 16.50 C ATOM 0 H VAL A 91 56.799 47.014 22.155 1.00 16.75 H new ATOM 0 HA VAL A 91 54.155 46.368 22.198 1.00 17.34 H new ATOM 0 HB VAL A 91 53.730 48.213 20.787 1.00 17.22 H new ATOM 0 HG11 VAL A 91 53.757 49.894 22.489 1.00 19.24 H new ATOM 0 HG12 VAL A 91 53.231 48.521 23.077 1.00 19.24 H new ATOM 0 HG13 VAL A 91 54.718 48.986 23.361 1.00 19.24 H new ATOM 0 HG21 VAL A 91 55.350 49.922 20.465 1.00 16.50 H new ATOM 0 HG22 VAL A 91 56.435 49.024 21.189 1.00 16.50 H new ATOM 0 HG23 VAL A 91 55.829 48.568 19.798 1.00 16.50 H new ATOM 766 N THR A 92 54.075 45.706 19.677 1.00 17.58 N ATOM 767 CA THR A 92 54.150 45.042 18.362 1.00 18.22 C ATOM 768 C THR A 92 53.361 45.942 17.382 1.00 18.13 C ATOM 769 O THR A 92 52.216 46.307 17.635 1.00 18.41 O ATOM 770 CB THR A 92 53.602 43.523 18.458 1.00 17.91 C ATOM 771 OG1 THR A 92 54.486 42.755 19.274 1.00 17.84 O ATOM 772 CG2 THR A 92 53.479 42.850 17.089 1.00 18.33 C ATOM 0 H THR A 92 53.271 45.855 19.943 1.00 17.58 H new ATOM 0 HA THR A 92 55.060 44.948 18.041 1.00 18.22 H new ATOM 0 HB THR A 92 52.713 43.562 18.845 1.00 17.91 H new ATOM 0 HG1 THR A 92 55.246 42.728 18.916 1.00 17.84 H new ATOM 0 HG21 THR A 92 53.148 41.945 17.202 1.00 18.33 H new ATOM 0 HG22 THR A 92 52.862 43.353 16.535 1.00 18.33 H new ATOM 0 HG23 THR A 92 54.349 42.824 16.661 1.00 18.33 H new ATOM 773 N VAL A 93 54.040 46.372 16.332 1.00 18.71 N ATOM 774 CA VAL A 93 53.520 47.268 15.305 1.00 19.43 C ATOM 775 C VAL A 93 53.328 46.522 13.997 1.00 19.66 C ATOM 776 O VAL A 93 54.284 45.864 13.485 1.00 18.18 O ATOM 777 CB VAL A 93 54.492 48.428 15.004 1.00 19.19 C ATOM 778 CG1 VAL A 93 53.832 49.432 14.124 1.00 21.84 C ATOM 779 CG2 VAL A 93 54.913 49.077 16.273 1.00 23.15 C ATOM 0 H VAL A 93 54.856 46.140 16.189 1.00 18.71 H new ATOM 0 HA VAL A 93 52.681 47.613 15.649 1.00 19.43 H new ATOM 0 HB VAL A 93 55.273 48.073 14.551 1.00 19.19 H new ATOM 0 HG11 VAL A 93 54.450 50.157 13.940 1.00 21.84 H new ATOM 0 HG12 VAL A 93 53.572 49.010 13.290 1.00 21.84 H new ATOM 0 HG13 VAL A 93 53.044 49.784 14.568 1.00 21.84 H new ATOM 0 HG21 VAL A 93 55.524 49.805 16.077 1.00 23.15 H new ATOM 0 HG22 VAL A 93 54.133 49.425 16.733 1.00 23.15 H new ATOM 0 HG23 VAL A 93 55.358 48.426 16.838 1.00 23.15 H new ATOM 780 N THR A 94 52.109 46.631 13.450 1.00 19.41 N ATOM 781 CA THR A 94 51.831 46.057 12.137 1.00 19.99 C ATOM 782 C THR A 94 52.437 46.933 11.048 1.00 19.97 C ATOM 783 O THR A 94 52.139 48.129 10.968 1.00 21.88 O ATOM 784 CB THR A 94 50.300 45.894 11.944 1.00 19.62 C ATOM 785 OG1 THR A 94 49.749 45.294 13.119 1.00 22.60 O ATOM 786 CG2 THR A 94 49.968 45.012 10.728 1.00 19.08 C ATOM 0 H THR A 94 51.442 47.028 13.821 1.00 19.41 H new ATOM 0 HA THR A 94 52.237 45.178 12.076 1.00 19.99 H new ATOM 0 HB THR A 94 49.919 46.772 11.790 1.00 19.62 H new ATOM 0 HG1 THR A 94 48.916 45.230 13.037 1.00 22.60 H new ATOM 0 HG21 THR A 94 49.005 44.933 10.639 1.00 19.08 H new ATOM 0 HG22 THR A 94 50.335 45.415 9.926 1.00 19.08 H new ATOM 0 HG23 THR A 94 50.354 44.131 10.852 1.00 19.08 H new ATOM 787 N LEU A 95 53.309 46.371 10.224 1.00 20.55 N ATOM 788 CA LEU A 95 53.942 47.139 9.146 1.00 20.66 C ATOM 789 C LEU A 95 53.126 47.105 7.832 1.00 21.06 C ATOM 790 O LEU A 95 53.521 46.518 6.794 1.00 21.64 O ATOM 791 CB LEU A 95 55.360 46.634 8.914 1.00 20.79 C ATOM 792 CG LEU A 95 56.300 46.607 10.121 1.00 18.60 C ATOM 793 CD1 LEU A 95 57.657 46.164 9.595 1.00 17.29 C ATOM 794 CD2 LEU A 95 56.388 47.942 10.844 1.00 15.27 C ATOM 0 H LEU A 95 53.552 45.547 10.267 1.00 20.55 H new ATOM 0 HA LEU A 95 53.971 48.067 9.428 1.00 20.66 H new ATOM 0 HB2 LEU A 95 55.304 45.734 8.557 1.00 20.79 H new ATOM 0 HB3 LEU A 95 55.767 47.186 8.228 1.00 20.79 H new ATOM 0 HG LEU A 95 55.959 45.993 10.790 1.00 18.60 H new ATOM 0 HD11 LEU A 95 58.293 46.131 10.327 1.00 17.29 H new ATOM 0 HD12 LEU A 95 57.578 45.284 9.196 1.00 17.29 H new ATOM 0 HD13 LEU A 95 57.967 46.795 8.927 1.00 17.29 H new ATOM 0 HD21 LEU A 95 56.995 47.863 11.596 1.00 15.27 H new ATOM 0 HD22 LEU A 95 56.716 48.620 10.233 1.00 15.27 H new ATOM 0 HD23 LEU A 95 55.508 48.195 11.165 1.00 15.27 H new ATOM 795 N ASP A 96 51.980 47.756 7.890 1.00 21.75 N ATOM 796 CA ASP A 96 51.042 47.815 6.759 1.00 21.77 C ATOM 797 C ASP A 96 50.871 49.213 6.232 1.00 22.10 C ATOM 798 O ASP A 96 49.967 49.443 5.444 1.00 23.94 O ATOM 799 CB ASP A 96 49.683 47.250 7.162 1.00 21.58 C ATOM 800 CG ASP A 96 49.068 47.946 8.332 1.00 21.52 C ATOM 801 OD1 ASP A 96 49.654 48.924 8.869 1.00 19.79 O ATOM 802 OD2 ASP A 96 47.975 47.502 8.739 1.00 22.37 O ATOM 0 H ASP A 96 51.713 48.183 8.587 1.00 21.75 H new ATOM 0 HA ASP A 96 51.423 47.275 6.049 1.00 21.77 H new ATOM 0 HB2 ASP A 96 49.079 47.310 6.405 1.00 21.58 H new ATOM 0 HB3 ASP A 96 49.782 46.308 7.371 1.00 21.58 H new ATOM 803 N GLY A 97 51.700 50.155 6.665 1.00 21.55 N ATOM 804 CA GLY A 97 51.607 51.498 6.144 1.00 22.28 C ATOM 805 C GLY A 97 50.702 52.433 6.924 1.00 23.29 C ATOM 806 O GLY A 97 50.610 53.615 6.591 1.00 23.71 O ATOM 0 H GLY A 97 52.315 50.033 7.254 1.00 21.55 H new ATOM 0 HA2 GLY A 97 52.498 51.881 6.117 1.00 22.28 H new ATOM 0 HA3 GLY A 97 51.290 51.453 5.229 1.00 22.28 H new ATOM 807 N THR A 98 50.100 51.926 8.011 1.00 23.47 N ATOM 808 CA THR A 98 49.168 52.673 8.812 1.00 22.56 C ATOM 809 C THR A 98 49.857 53.514 9.859 1.00 23.35 C ATOM 810 O THR A 98 49.257 54.425 10.396 1.00 22.51 O ATOM 811 CB THR A 98 48.126 51.729 9.495 1.00 22.33 C ATOM 812 OG1 THR A 98 48.773 50.641 10.202 1.00 21.61 O ATOM 813 CG2 THR A 98 47.223 51.155 8.470 1.00 22.64 C ATOM 0 H THR A 98 50.235 51.125 8.294 1.00 23.47 H new ATOM 0 HA THR A 98 48.705 53.272 8.205 1.00 22.56 H new ATOM 0 HB THR A 98 47.625 52.260 10.133 1.00 22.33 H new ATOM 0 HG1 THR A 98 48.834 49.974 9.695 1.00 21.61 H new ATOM 0 HG21 THR A 98 46.578 50.570 8.898 1.00 22.64 H new ATOM 0 HG22 THR A 98 46.756 51.871 8.013 1.00 22.64 H new ATOM 0 HG23 THR A 98 47.743 50.647 7.828 1.00 22.64 H new ATOM 814 N VAL A 99 51.111 53.200 10.180 1.00 23.80 N ATOM 815 CA VAL A 99 51.908 54.055 11.064 1.00 23.70 C ATOM 816 C VAL A 99 53.009 54.689 10.191 1.00 24.00 C ATOM 817 O VAL A 99 53.663 53.986 9.419 1.00 23.25 O ATOM 818 CB VAL A 99 52.508 53.209 12.239 1.00 24.12 C ATOM 819 CG1 VAL A 99 53.501 53.990 13.058 1.00 24.50 C ATOM 820 CG2 VAL A 99 51.395 52.669 13.121 1.00 24.75 C ATOM 0 H VAL A 99 51.520 52.498 9.898 1.00 23.80 H new ATOM 0 HA VAL A 99 51.368 54.749 11.473 1.00 23.70 H new ATOM 0 HB VAL A 99 52.990 52.466 11.843 1.00 24.12 H new ATOM 0 HG11 VAL A 99 53.845 53.429 13.771 1.00 24.50 H new ATOM 0 HG12 VAL A 99 54.234 54.277 12.491 1.00 24.50 H new ATOM 0 HG13 VAL A 99 53.065 54.767 13.441 1.00 24.50 H new ATOM 0 HG21 VAL A 99 51.779 52.148 13.844 1.00 24.75 H new ATOM 0 HG22 VAL A 99 50.887 53.408 13.490 1.00 24.75 H new ATOM 0 HG23 VAL A 99 50.808 52.106 12.593 1.00 24.75 H new ATOM 821 N PRO A 100 53.186 56.021 10.277 1.00 23.97 N ATOM 822 CA PRO A 100 54.163 56.687 9.462 1.00 24.12 C ATOM 823 C PRO A 100 55.559 56.066 9.552 1.00 23.14 C ATOM 824 O PRO A 100 56.031 55.800 10.636 1.00 22.02 O ATOM 825 CB PRO A 100 54.159 58.117 10.042 1.00 24.18 C ATOM 826 CG PRO A 100 52.822 58.308 10.566 1.00 24.78 C ATOM 827 CD PRO A 100 52.446 56.986 11.111 1.00 24.87 C ATOM 0 HA PRO A 100 53.947 56.633 8.518 1.00 24.12 H new ATOM 0 HB2 PRO A 100 54.826 58.215 10.739 1.00 24.18 H new ATOM 0 HB3 PRO A 100 54.365 58.773 9.358 1.00 24.18 H new ATOM 0 HG2 PRO A 100 52.807 58.991 11.254 1.00 24.78 H new ATOM 0 HG3 PRO A 100 52.207 58.591 9.871 1.00 24.78 H new ATOM 0 HD2 PRO A 100 52.691 56.906 12.046 1.00 24.87 H new ATOM 0 HD3 PRO A 100 51.489 56.840 11.056 1.00 24.87 H new ATOM 828 N ALA A 101 56.169 55.865 8.391 1.00 23.77 N ATOM 829 CA ALA A 101 57.479 55.249 8.233 1.00 24.70 C ATOM 830 C ALA A 101 58.557 55.924 9.072 1.00 24.95 C ATOM 831 O ALA A 101 59.445 55.253 9.629 1.00 24.66 O ATOM 832 CB ALA A 101 57.887 55.276 6.780 1.00 24.64 C ATOM 0 H ALA A 101 55.815 56.094 7.641 1.00 23.77 H new ATOM 0 HA ALA A 101 57.398 54.335 8.547 1.00 24.70 H new ATOM 0 HB1 ALA A 101 58.760 54.865 6.681 1.00 24.64 H new ATOM 0 HB2 ALA A 101 57.237 54.786 6.252 1.00 24.64 H new ATOM 0 HB3 ALA A 101 57.926 56.195 6.472 1.00 24.64 H new ATOM 833 N GLU A 102 58.470 57.252 9.131 1.00 24.86 N ATOM 834 CA AGLU A 102 59.481 58.020 9.847 0.50 24.80 C ATOM 835 CA BGLU A 102 59.408 58.098 9.875 0.50 24.70 C ATOM 836 C GLU A 102 59.362 57.732 11.350 1.00 24.19 C ATOM 837 O GLU A 102 60.377 57.479 11.984 1.00 22.27 O ATOM 838 CB AGLU A 102 59.377 59.509 9.494 0.50 24.79 C ATOM 839 CB BGLU A 102 59.043 59.589 9.706 0.50 24.88 C ATOM 840 CG AGLU A 102 60.214 60.468 10.317 0.50 25.45 C ATOM 841 CG BGLU A 102 57.528 59.930 9.912 0.50 25.55 C ATOM 842 CD AGLU A 102 59.967 61.871 9.854 0.50 25.98 C ATOM 843 CD BGLU A 102 56.778 60.131 8.589 0.50 24.96 C ATOM 844 OE1AGLU A 102 60.518 62.229 8.797 0.50 29.60 O ATOM 845 OE1BGLU A 102 56.964 59.298 7.637 0.50 20.08 O ATOM 846 OE2AGLU A 102 59.175 62.581 10.495 0.50 26.19 O ATOM 847 OE2BGLU A 102 56.013 61.132 8.545 0.50 20.51 O ATOM 0 H AGLU A 102 57.845 57.719 8.770 0.50 24.86 H new ATOM 0 H BGLU A 102 57.852 57.697 8.732 0.50 24.86 H new ATOM 0 HA AGLU A 102 60.371 57.748 9.573 0.50 24.70 H new ATOM 0 HA BGLU A 102 60.302 57.952 9.527 0.50 24.70 H new ATOM 0 HB2AGLU A 102 59.623 59.616 8.562 0.50 24.88 H new ATOM 0 HB2BGLU A 102 59.566 60.109 10.336 0.50 24.88 H new ATOM 0 HB3AGLU A 102 58.447 59.774 9.574 0.50 24.88 H new ATOM 0 HB3BGLU A 102 59.306 59.873 8.817 0.50 24.88 H new ATOM 0 HG2AGLU A 102 59.990 60.383 11.257 0.50 25.55 H new ATOM 0 HG2BGLU A 102 57.105 59.215 10.413 0.50 25.55 H new ATOM 0 HG3AGLU A 102 61.155 60.249 10.229 0.50 25.55 H new ATOM 0 HG3BGLU A 102 57.452 60.735 10.447 0.50 25.55 H new ATOM 848 N LEU A 103 58.139 57.714 11.888 1.00 23.91 N ATOM 849 CA LEU A 103 57.925 57.317 13.266 1.00 23.77 C ATOM 850 C LEU A 103 58.450 55.892 13.533 1.00 22.71 C ATOM 851 O LEU A 103 59.168 55.672 14.513 1.00 23.01 O ATOM 852 CB LEU A 103 56.451 57.424 13.640 1.00 24.22 C ATOM 853 CG LEU A 103 56.085 56.894 15.017 1.00 23.78 C ATOM 854 CD1 LEU A 103 56.854 57.607 16.135 1.00 25.11 C ATOM 855 CD2 LEU A 103 54.542 57.057 15.248 1.00 26.14 C ATOM 0 H LEU A 103 57.423 57.930 11.464 1.00 23.91 H new ATOM 0 HA LEU A 103 58.429 57.928 13.826 1.00 23.77 H new ATOM 0 HB2 LEU A 103 56.187 58.356 13.589 1.00 24.22 H new ATOM 0 HB3 LEU A 103 55.930 56.945 12.977 1.00 24.22 H new ATOM 0 HG LEU A 103 56.331 55.956 15.047 1.00 23.78 H new ATOM 0 HD11 LEU A 103 56.592 57.240 16.994 1.00 25.11 H new ATOM 0 HD12 LEU A 103 57.807 57.478 16.006 1.00 25.11 H new ATOM 0 HD13 LEU A 103 56.651 58.555 16.114 1.00 25.11 H new ATOM 0 HD21 LEU A 103 54.309 56.719 16.127 1.00 26.14 H new ATOM 0 HD22 LEU A 103 54.303 57.995 15.189 1.00 26.14 H new ATOM 0 HD23 LEU A 103 54.059 56.558 14.571 1.00 26.14 H new ATOM 856 N LEU A 104 58.094 54.956 12.664 1.00 21.59 N ATOM 857 CA LEU A 104 58.546 53.549 12.768 1.00 21.66 C ATOM 858 C LEU A 104 60.062 53.418 12.818 1.00 21.42 C ATOM 859 O LEU A 104 60.573 52.652 13.598 1.00 20.07 O ATOM 860 CB LEU A 104 58.009 52.727 11.605 1.00 20.72 C ATOM 861 CG LEU A 104 56.474 52.497 11.558 1.00 23.52 C ATOM 862 CD1 LEU A 104 56.073 51.822 10.272 1.00 22.98 C ATOM 863 CD2 LEU A 104 55.986 51.680 12.704 1.00 26.71 C ATOM 0 H LEU A 104 57.582 55.107 11.990 1.00 21.59 H new ATOM 0 HA LEU A 104 58.193 53.211 13.606 1.00 21.66 H new ATOM 0 HB2 LEU A 104 58.275 53.162 10.780 1.00 20.72 H new ATOM 0 HB3 LEU A 104 58.444 51.860 11.622 1.00 20.72 H new ATOM 0 HG LEU A 104 56.065 53.375 11.614 1.00 23.52 H new ATOM 0 HD11 LEU A 104 55.112 51.688 10.263 1.00 22.98 H new ATOM 0 HD12 LEU A 104 56.328 52.379 9.520 1.00 22.98 H new ATOM 0 HD13 LEU A 104 56.520 50.964 10.204 1.00 22.98 H new ATOM 0 HD21 LEU A 104 55.026 51.563 12.633 1.00 26.71 H new ATOM 0 HD22 LEU A 104 56.419 50.812 12.690 1.00 26.71 H new ATOM 0 HD23 LEU A 104 56.195 52.132 13.536 1.00 26.71 H new ATOM 864 N GLY A 105 60.756 54.153 11.942 1.00 21.57 N ATOM 865 CA GLY A 105 62.229 54.196 11.870 1.00 22.24 C ATOM 866 C GLY A 105 62.861 54.647 13.186 1.00 22.48 C ATOM 867 O GLY A 105 63.781 53.986 13.734 1.00 22.76 O ATOM 0 H GLY A 105 60.375 54.655 11.356 1.00 21.57 H new ATOM 0 HA2 GLY A 105 62.565 53.316 11.637 1.00 22.24 H new ATOM 0 HA3 GLY A 105 62.499 54.800 11.160 1.00 22.24 H new ATOM 868 N GLU A 106 62.349 55.765 13.682 1.00 22.69 N ATOM 869 CA GLU A 106 62.723 56.311 14.974 1.00 22.16 C ATOM 870 C GLU A 106 62.411 55.381 16.154 1.00 21.44 C ATOM 871 O GLU A 106 63.162 55.377 17.163 1.00 21.96 O ATOM 872 CB GLU A 106 61.965 57.599 15.158 1.00 22.92 C ATOM 873 CG GLU A 106 62.315 58.399 16.404 1.00 27.79 C ATOM 874 CD GLU A 106 61.186 58.510 17.445 1.00 34.63 C ATOM 875 OE1 GLU A 106 60.069 59.004 17.094 1.00 37.69 O ATOM 876 OE2 GLU A 106 61.466 58.145 18.630 1.00 40.09 O ATOM 0 H GLU A 106 61.762 56.236 13.267 1.00 22.69 H new ATOM 0 HA GLU A 106 63.685 56.437 14.973 1.00 22.16 H new ATOM 0 HB2 GLU A 106 62.118 58.159 14.381 1.00 22.92 H new ATOM 0 HB3 GLU A 106 61.017 57.397 15.180 1.00 22.92 H new ATOM 0 HG2 GLU A 106 63.087 57.992 16.827 1.00 27.79 H new ATOM 0 HG3 GLU A 106 62.577 59.293 16.135 1.00 27.79 H new ATOM 877 N LEU A 107 61.299 54.635 16.080 1.00 20.24 N ATOM 878 CA LEU A 107 60.978 53.712 17.178 1.00 19.90 C ATOM 879 C LEU A 107 61.966 52.581 17.159 1.00 19.73 C ATOM 880 O LEU A 107 62.409 52.148 18.227 1.00 20.50 O ATOM 881 CB LEU A 107 59.568 53.166 17.120 1.00 19.75 C ATOM 882 CG LEU A 107 58.499 54.222 17.372 1.00 19.26 C ATOM 883 CD1 LEU A 107 57.101 53.565 17.061 1.00 21.04 C ATOM 884 CD2 LEU A 107 58.614 54.761 18.741 1.00 19.33 C ATOM 0 H LEU A 107 60.737 54.646 15.429 1.00 20.24 H new ATOM 0 HA LEU A 107 61.036 54.216 18.005 1.00 19.90 H new ATOM 0 HB2 LEU A 107 59.419 52.766 16.249 1.00 19.75 H new ATOM 0 HB3 LEU A 107 59.475 52.458 17.777 1.00 19.75 H new ATOM 0 HG LEU A 107 58.610 54.990 16.790 1.00 19.26 H new ATOM 0 HD11 LEU A 107 56.397 54.215 17.213 1.00 21.04 H new ATOM 0 HD12 LEU A 107 57.078 53.274 16.136 1.00 21.04 H new ATOM 0 HD13 LEU A 107 56.966 52.801 17.643 1.00 21.04 H new ATOM 0 HD21 LEU A 107 57.927 55.431 18.884 1.00 19.33 H new ATOM 0 HD22 LEU A 107 58.503 54.042 19.382 1.00 19.33 H new ATOM 0 HD23 LEU A 107 59.488 55.165 18.858 1.00 19.33 H new ATOM 885 N LEU A 108 62.380 52.175 15.961 1.00 18.17 N ATOM 886 CA LEU A 108 63.328 51.075 15.813 1.00 18.14 C ATOM 887 C LEU A 108 64.707 51.464 16.328 1.00 17.01 C ATOM 888 O LEU A 108 65.311 50.762 17.111 1.00 15.66 O ATOM 889 CB LEU A 108 63.336 50.625 14.373 1.00 17.73 C ATOM 890 CG LEU A 108 64.332 49.537 13.977 1.00 19.01 C ATOM 891 CD1 LEU A 108 64.257 48.275 14.849 1.00 20.94 C ATOM 892 CD2 LEU A 108 64.128 49.223 12.539 1.00 20.10 C ATOM 0 H LEU A 108 62.122 52.525 15.219 1.00 18.17 H new ATOM 0 HA LEU A 108 63.051 50.322 16.358 1.00 18.14 H new ATOM 0 HB2 LEU A 108 62.445 50.309 14.154 1.00 17.73 H new ATOM 0 HB3 LEU A 108 63.506 51.402 13.818 1.00 17.73 H new ATOM 0 HG LEU A 108 65.227 49.879 14.127 1.00 19.01 H new ATOM 0 HD11 LEU A 108 64.914 47.630 14.543 1.00 20.94 H new ATOM 0 HD12 LEU A 108 64.440 48.508 15.773 1.00 20.94 H new ATOM 0 HD13 LEU A 108 63.370 47.888 14.783 1.00 20.94 H new ATOM 0 HD21 LEU A 108 64.752 48.532 12.267 1.00 20.10 H new ATOM 0 HD22 LEU A 108 63.220 48.910 12.402 1.00 20.10 H new ATOM 0 HD23 LEU A 108 64.278 50.021 12.009 1.00 20.10 H new ATOM 893 N ARG A 109 65.150 52.656 15.964 1.00 18.11 N ATOM 894 CA ARG A 109 66.388 53.233 16.515 1.00 19.15 C ATOM 895 C ARG A 109 66.270 53.486 17.995 1.00 17.97 C ATOM 896 O ARG A 109 67.218 53.235 18.724 1.00 16.45 O ATOM 897 CB ARG A 109 66.754 54.537 15.809 1.00 18.56 C ATOM 898 CG ARG A 109 67.162 54.280 14.397 1.00 21.79 C ATOM 899 CD ARG A 109 67.364 55.571 13.581 1.00 25.54 C ATOM 900 NE ARG A 109 68.501 55.316 12.703 1.00 34.42 N ATOM 901 CZ ARG A 109 69.550 56.117 12.565 1.00 35.65 C ATOM 902 NH1 ARG A 109 69.566 57.316 13.181 1.00 37.75 N ATOM 903 NH2 ARG A 109 70.563 55.714 11.787 1.00 36.70 N ATOM 0 H ARG A 109 64.750 53.160 15.393 1.00 18.11 H new ATOM 0 HA ARG A 109 67.091 52.581 16.364 1.00 19.15 H new ATOM 0 HB2 ARG A 109 65.996 55.142 15.826 1.00 18.56 H new ATOM 0 HB3 ARG A 109 67.477 54.975 16.284 1.00 18.56 H new ATOM 0 HG2 ARG A 109 67.986 53.769 14.392 1.00 21.79 H new ATOM 0 HG3 ARG A 109 66.487 53.733 13.965 1.00 21.79 H new ATOM 0 HD2 ARG A 109 66.570 55.785 13.067 1.00 25.54 H new ATOM 0 HD3 ARG A 109 67.538 56.327 14.164 1.00 25.54 H new ATOM 0 HE ARG A 109 68.491 54.592 12.240 1.00 34.42 H new ATOM 0 HH11 ARG A 109 68.897 57.561 13.663 1.00 37.75 H new ATOM 0 HH12 ARG A 109 70.245 57.836 13.092 1.00 37.75 H new ATOM 0 HH21 ARG A 109 70.524 54.952 11.391 1.00 36.70 H new ATOM 0 HH22 ARG A 109 71.252 56.218 11.684 1.00 36.70 H new ATOM 904 N GLY A 110 65.093 53.921 18.442 1.00 17.07 N ATOM 905 CA GLY A 110 64.880 54.141 19.861 1.00 16.69 C ATOM 906 C GLY A 110 64.986 52.875 20.716 1.00 17.05 C ATOM 907 O GLY A 110 65.487 52.914 21.874 1.00 17.46 O ATOM 0 H GLY A 110 64.414 54.092 17.942 1.00 17.07 H new ATOM 0 HA2 GLY A 110 65.529 54.789 20.178 1.00 16.69 H new ATOM 0 HA3 GLY A 110 64.002 54.533 19.989 1.00 16.69 H new ATOM 908 N SER A 111 64.477 51.760 20.176 1.00 15.98 N ATOM 909 CA SER A 111 64.465 50.477 20.886 1.00 15.82 C ATOM 910 C SER A 111 65.930 50.005 21.103 1.00 16.07 C ATOM 911 O SER A 111 66.322 49.675 22.203 1.00 15.19 O ATOM 912 CB SER A 111 63.655 49.432 20.091 1.00 15.75 C ATOM 913 OG SER A 111 63.669 48.167 20.735 1.00 14.95 O ATOM 0 H SER A 111 64.130 51.728 19.390 1.00 15.98 H new ATOM 0 HA SER A 111 64.037 50.584 21.750 1.00 15.82 H new ATOM 0 HB2 SER A 111 62.739 49.737 19.992 1.00 15.75 H new ATOM 0 HB3 SER A 111 64.023 49.346 19.198 1.00 15.75 H new ATOM 0 HG SER A 111 64.161 47.639 20.305 1.00 14.95 H new ATOM 914 N TYR A 112 66.718 50.049 20.028 1.00 15.73 N ATOM 915 CA TYR A 112 68.185 49.860 20.063 1.00 16.46 C ATOM 916 C TYR A 112 68.858 50.709 21.141 1.00 16.36 C ATOM 917 O TYR A 112 69.616 50.181 21.947 1.00 16.57 O ATOM 918 CB TYR A 112 68.811 50.162 18.676 1.00 16.24 C ATOM 919 CG TYR A 112 70.327 50.186 18.626 1.00 14.83 C ATOM 920 CD1 TYR A 112 71.014 51.329 18.946 1.00 17.37 C ATOM 921 CD2 TYR A 112 71.063 49.034 18.317 1.00 16.23 C ATOM 922 CE1 TYR A 112 72.390 51.348 18.974 1.00 17.05 C ATOM 923 CE2 TYR A 112 72.436 49.035 18.297 1.00 16.25 C ATOM 924 CZ TYR A 112 73.104 50.205 18.626 1.00 17.04 C ATOM 925 OH TYR A 112 74.468 50.256 18.616 1.00 14.15 O ATOM 0 H TYR A 112 66.414 50.193 19.236 1.00 15.73 H new ATOM 0 HA TYR A 112 68.342 48.930 20.288 1.00 16.46 H new ATOM 0 HB2 TYR A 112 68.494 49.497 18.045 1.00 16.24 H new ATOM 0 HB3 TYR A 112 68.481 51.022 18.371 1.00 16.24 H new ATOM 0 HD1 TYR A 112 70.542 52.105 19.148 1.00 17.37 H new ATOM 0 HD2 TYR A 112 70.609 48.247 18.120 1.00 16.23 H new ATOM 0 HE1 TYR A 112 72.841 52.122 19.225 1.00 17.05 H new ATOM 0 HE2 TYR A 112 72.908 48.267 18.068 1.00 16.25 H new ATOM 0 HH TYR A 112 74.776 49.487 18.479 1.00 14.15 H new ATOM 926 N LEU A 113 68.613 52.019 21.136 1.00 17.14 N ATOM 927 CA LEU A 113 69.232 52.922 22.149 1.00 17.62 C ATOM 928 C LEU A 113 68.858 52.576 23.580 1.00 17.65 C ATOM 929 O LEU A 113 69.714 52.558 24.495 1.00 17.09 O ATOM 930 CB LEU A 113 68.898 54.373 21.881 1.00 17.48 C ATOM 931 CG LEU A 113 69.721 54.952 20.735 1.00 24.08 C ATOM 932 CD1 LEU A 113 69.067 56.306 20.232 1.00 28.22 C ATOM 933 CD2 LEU A 113 71.183 55.156 21.161 1.00 22.96 C ATOM 0 H LEU A 113 68.101 52.413 20.569 1.00 17.14 H new ATOM 0 HA LEU A 113 70.188 52.786 22.056 1.00 17.62 H new ATOM 0 HB2 LEU A 113 67.954 54.452 21.672 1.00 17.48 H new ATOM 0 HB3 LEU A 113 69.055 54.893 22.685 1.00 17.48 H new ATOM 0 HG LEU A 113 69.722 54.322 19.997 1.00 24.08 H new ATOM 0 HD11 LEU A 113 69.595 56.669 19.504 1.00 28.22 H new ATOM 0 HD12 LEU A 113 68.164 56.134 19.922 1.00 28.22 H new ATOM 0 HD13 LEU A 113 69.042 56.944 20.962 1.00 28.22 H new ATOM 0 HD21 LEU A 113 71.688 55.524 20.419 1.00 22.96 H new ATOM 0 HD22 LEU A 113 71.219 55.769 21.912 1.00 22.96 H new ATOM 0 HD23 LEU A 113 71.566 54.304 21.421 1.00 22.96 H new ATOM 934 N LEU A 114 67.581 52.286 23.764 1.00 17.79 N ATOM 935 CA LEU A 114 67.075 51.956 25.087 1.00 18.38 C ATOM 936 C LEU A 114 67.783 50.717 25.570 1.00 17.51 C ATOM 937 O LEU A 114 68.217 50.624 26.712 1.00 16.24 O ATOM 938 CB LEU A 114 65.563 51.750 24.989 1.00 18.83 C ATOM 939 CG LEU A 114 64.642 51.311 26.095 1.00 22.32 C ATOM 940 CD1 LEU A 114 63.178 51.760 25.707 1.00 24.60 C ATOM 941 CD2 LEU A 114 64.720 49.815 26.293 1.00 26.72 C ATOM 0 H LEU A 114 66.991 52.274 23.139 1.00 17.79 H new ATOM 0 HA LEU A 114 67.242 52.668 25.724 1.00 18.38 H new ATOM 0 HB2 LEU A 114 65.206 52.596 24.676 1.00 18.83 H new ATOM 0 HB3 LEU A 114 65.435 51.106 24.275 1.00 18.83 H new ATOM 0 HG LEU A 114 64.902 51.720 26.935 1.00 22.32 H new ATOM 0 HD11 LEU A 114 62.561 51.489 26.404 1.00 24.60 H new ATOM 0 HD12 LEU A 114 63.151 52.725 25.608 1.00 24.60 H new ATOM 0 HD13 LEU A 114 62.922 51.342 24.870 1.00 24.60 H new ATOM 0 HD21 LEU A 114 64.121 49.551 27.009 1.00 26.72 H new ATOM 0 HD22 LEU A 114 64.461 49.366 25.473 1.00 26.72 H new ATOM 0 HD23 LEU A 114 65.628 49.566 26.525 1.00 26.72 H new ATOM 942 N VAL A 115 67.882 49.725 24.705 1.00 16.70 N ATOM 943 CA VAL A 115 68.568 48.505 25.078 1.00 18.65 C ATOM 944 C VAL A 115 70.045 48.722 25.445 1.00 17.98 C ATOM 945 O VAL A 115 70.512 48.183 26.426 1.00 17.17 O ATOM 946 CB VAL A 115 68.373 47.363 24.052 1.00 18.14 C ATOM 947 CG1 VAL A 115 69.242 46.189 24.401 1.00 19.70 C ATOM 948 CG2 VAL A 115 66.903 46.942 23.982 1.00 20.14 C ATOM 0 H VAL A 115 67.563 49.736 23.906 1.00 16.70 H new ATOM 0 HA VAL A 115 68.135 48.211 25.895 1.00 18.65 H new ATOM 0 HB VAL A 115 68.636 47.691 23.178 1.00 18.14 H new ATOM 0 HG11 VAL A 115 69.109 45.483 23.750 1.00 19.70 H new ATOM 0 HG12 VAL A 115 70.173 46.462 24.395 1.00 19.70 H new ATOM 0 HG13 VAL A 115 69.007 45.863 25.284 1.00 19.70 H new ATOM 0 HG21 VAL A 115 66.802 46.227 23.335 1.00 20.14 H new ATOM 0 HG22 VAL A 115 66.613 46.632 24.854 1.00 20.14 H new ATOM 0 HG23 VAL A 115 66.361 47.700 23.713 1.00 20.14 H new ATOM 949 N THR A 116 70.761 49.507 24.655 0.50 18.44 N ATOM 950 CA THR A 116 72.126 49.882 25.018 0.50 19.08 C ATOM 951 C THR A 116 72.235 50.586 26.360 0.50 19.63 C ATOM 952 O THR A 116 73.207 50.407 27.070 0.50 19.58 O ATOM 953 CB THR A 116 72.838 50.712 23.944 0.50 18.63 C ATOM 954 OG1 THR A 116 72.238 51.997 23.822 0.50 17.64 O ATOM 955 CG2 THR A 116 72.757 50.087 22.579 0.50 18.49 C ATOM 0 H THR A 116 70.482 49.833 23.910 0.50 18.44 H new ATOM 0 HA THR A 116 72.580 49.028 25.093 0.50 19.08 H new ATOM 0 HB THR A 116 73.763 50.766 24.232 0.50 18.63 H new ATOM 0 HG1 THR A 116 71.445 51.964 24.098 0.50 17.64 H new ATOM 0 HG21 THR A 116 73.221 50.648 21.938 0.50 18.49 H new ATOM 0 HG22 THR A 116 73.171 49.210 22.599 0.50 18.49 H new ATOM 0 HG23 THR A 116 71.827 49.999 22.318 0.50 18.49 H new ATOM 956 N LYS A 117 71.239 51.399 26.679 1.00 20.10 N ATOM 957 CA LYS A 117 71.184 52.088 27.952 1.00 21.65 C ATOM 958 C LYS A 117 70.830 51.159 29.098 1.00 22.80 C ATOM 959 O LYS A 117 71.462 51.196 30.127 1.00 24.53 O ATOM 960 CB LYS A 117 70.231 53.283 27.922 1.00 22.46 C ATOM 961 CG LYS A 117 70.661 54.463 27.067 1.00 26.07 C ATOM 962 CD LYS A 117 72.154 54.694 27.110 1.00 29.62 C ATOM 963 CE LYS A 117 72.535 56.100 26.651 1.00 31.22 C ATOM 964 NZ LYS A 117 71.625 56.715 25.670 1.00 29.63 N ATOM 0 H LYS A 117 70.574 51.566 26.159 1.00 20.10 H new ATOM 0 HA LYS A 117 72.081 52.423 28.109 1.00 21.65 H new ATOM 0 HB2 LYS A 117 69.367 52.976 27.605 1.00 22.46 H new ATOM 0 HB3 LYS A 117 70.105 53.595 28.832 1.00 22.46 H new ATOM 0 HG2 LYS A 117 70.386 54.311 26.149 1.00 26.07 H new ATOM 0 HG3 LYS A 117 70.204 55.263 27.371 1.00 26.07 H new ATOM 0 HD2 LYS A 117 72.475 54.553 28.014 1.00 29.62 H new ATOM 0 HD3 LYS A 117 72.597 54.041 26.546 1.00 29.62 H new ATOM 0 HE2 LYS A 117 72.583 56.676 27.430 1.00 31.22 H new ATOM 0 HE3 LYS A 117 73.425 56.068 26.267 1.00 31.22 H new ATOM 0 HZ1 LYS A 117 72.042 57.384 25.256 1.00 29.63 H new ATOM 0 HZ2 LYS A 117 71.377 56.105 25.071 1.00 29.63 H new ATOM 0 HZ3 LYS A 117 70.905 57.029 26.089 1.00 29.63 H new ATOM 965 N LYS A 118 69.818 50.321 28.911 1.00 24.07 N ATOM 966 CA LYS A 118 69.333 49.493 30.024 1.00 23.84 C ATOM 967 C LYS A 118 70.141 48.219 30.243 1.00 24.23 C ATOM 968 O LYS A 118 70.263 47.776 31.391 1.00 25.55 O ATOM 969 CB LYS A 118 67.844 49.162 29.877 1.00 25.56 C ATOM 970 CG LYS A 118 67.263 48.329 31.048 1.00 28.02 C ATOM 971 CD LYS A 118 67.069 49.217 32.309 1.00 32.67 C ATOM 972 CE LYS A 118 67.170 48.405 33.618 1.00 36.32 C ATOM 973 NZ LYS A 118 68.615 48.048 34.013 1.00 39.93 N ATOM 0 H LYS A 118 69.402 50.213 28.166 1.00 24.07 H new ATOM 0 HA LYS A 118 69.458 50.038 30.816 1.00 23.84 H new ATOM 0 HB2 LYS A 118 67.344 49.990 29.802 1.00 25.56 H new ATOM 0 HB3 LYS A 118 67.711 48.675 29.049 1.00 25.56 H new ATOM 0 HG2 LYS A 118 66.413 47.942 30.785 1.00 28.02 H new ATOM 0 HG3 LYS A 118 67.859 47.592 31.254 1.00 28.02 H new ATOM 0 HD2 LYS A 118 67.738 49.919 32.314 1.00 32.67 H new ATOM 0 HD3 LYS A 118 66.203 49.651 32.266 1.00 32.67 H new ATOM 0 HE2 LYS A 118 66.762 48.913 34.337 1.00 36.32 H new ATOM 0 HE3 LYS A 118 66.657 47.587 33.523 1.00 36.32 H new ATOM 0 HZ1 LYS A 118 68.619 47.279 34.461 1.00 39.93 H new ATOM 0 HZ2 LYS A 118 69.112 47.966 33.279 1.00 39.93 H new ATOM 0 HZ3 LYS A 118 68.950 48.692 34.527 1.00 39.93 H new ATOM 974 N GLY A 119 70.725 47.658 29.187 1.00 22.33 N ATOM 975 CA GLY A 119 71.290 46.325 29.241 1.00 21.58 C ATOM 976 C GLY A 119 72.794 46.255 29.390 1.00 21.30 C ATOM 977 O GLY A 119 73.351 45.162 29.549 1.00 21.17 O ATOM 0 H GLY A 119 70.802 48.044 28.422 1.00 22.33 H new ATOM 0 HA2 GLY A 119 70.886 45.850 29.984 1.00 21.58 H new ATOM 0 HA3 GLY A 119 71.039 45.852 28.432 1.00 21.58 H new ATOM 978 N PHE A 120 73.439 47.423 29.327 1.00 20.81 N ATOM 979 CA PHE A 120 74.909 47.591 29.313 1.00 20.38 C ATOM 980 C PHE A 120 75.251 48.773 30.236 1.00 20.76 C ATOM 981 O PHE A 120 74.464 49.705 30.384 1.00 20.64 O ATOM 982 CB PHE A 120 75.393 47.880 27.882 1.00 19.27 C ATOM 983 CG PHE A 120 75.146 46.742 26.956 1.00 18.48 C ATOM 984 CD1 PHE A 120 73.935 46.593 26.330 1.00 16.66 C ATOM 985 CD2 PHE A 120 76.097 45.761 26.788 1.00 19.00 C ATOM 986 CE1 PHE A 120 73.681 45.522 25.549 1.00 13.55 C ATOM 987 CE2 PHE A 120 75.835 44.673 25.996 1.00 20.47 C ATOM 988 CZ PHE A 120 74.622 44.565 25.373 1.00 19.70 C ATOM 0 H PHE A 120 73.020 48.173 29.290 1.00 20.81 H new ATOM 0 HA PHE A 120 75.347 46.782 29.621 1.00 20.38 H new ATOM 0 HB2 PHE A 120 74.943 48.671 27.545 1.00 19.27 H new ATOM 0 HB3 PHE A 120 76.342 48.079 27.899 1.00 19.27 H new ATOM 0 HD1 PHE A 120 73.278 47.241 26.446 1.00 16.66 H new ATOM 0 HD2 PHE A 120 76.921 45.837 27.213 1.00 19.00 H new ATOM 0 HE1 PHE A 120 72.855 45.441 25.129 1.00 13.55 H new ATOM 0 HE2 PHE A 120 76.479 44.012 25.883 1.00 20.47 H new ATOM 0 HZ PHE A 120 74.444 43.833 24.828 1.00 19.70 H new ATOM 989 N THR A 121 76.397 48.709 30.877 1.00 20.86 N ATOM 990 CA THR A 121 76.830 49.793 31.725 1.00 21.18 C ATOM 991 C THR A 121 77.578 50.801 30.887 1.00 21.80 C ATOM 992 O THR A 121 77.938 50.550 29.746 1.00 20.27 O ATOM 993 CB THR A 121 77.731 49.320 32.867 1.00 21.19 C ATOM 994 OG1 THR A 121 78.922 48.749 32.349 1.00 20.26 O ATOM 995 CG2 THR A 121 77.004 48.314 33.739 1.00 23.26 C ATOM 0 H THR A 121 76.941 48.044 30.835 1.00 20.86 H new ATOM 0 HA THR A 121 76.040 50.189 32.124 1.00 21.18 H new ATOM 0 HB THR A 121 77.963 50.088 33.412 1.00 21.19 H new ATOM 0 HG1 THR A 121 79.410 48.494 32.984 1.00 20.26 H new ATOM 0 HG21 THR A 121 77.589 48.025 34.457 1.00 23.26 H new ATOM 0 HG22 THR A 121 76.210 48.725 34.115 1.00 23.26 H new ATOM 0 HG23 THR A 121 76.747 47.547 33.203 1.00 23.26 H new ATOM 996 N LYS A 122 77.761 51.965 31.485 1.00 23.81 N ATOM 997 CA LYS A 122 78.606 53.014 30.952 1.00 25.03 C ATOM 998 C LYS A 122 79.975 52.500 30.507 1.00 23.66 C ATOM 999 O LYS A 122 80.427 52.836 29.406 1.00 22.76 O ATOM 1000 CB LYS A 122 78.717 54.127 32.010 1.00 26.36 C ATOM 1001 CG LYS A 122 79.865 55.096 31.770 1.00 28.35 C ATOM 1002 CD LYS A 122 79.695 56.416 32.566 1.00 30.75 C ATOM 1003 CE LYS A 122 80.683 57.479 32.012 1.00 35.32 C ATOM 1004 NZ LYS A 122 80.047 58.114 30.790 1.00 37.62 N ATOM 0 H LYS A 122 77.387 52.172 32.231 1.00 23.81 H new ATOM 0 HA LYS A 122 78.200 53.370 30.146 1.00 25.03 H new ATOM 0 HB2 LYS A 122 77.885 54.625 32.031 1.00 26.36 H new ATOM 0 HB3 LYS A 122 78.826 53.720 32.884 1.00 26.36 H new ATOM 0 HG2 LYS A 122 80.701 54.673 32.023 1.00 28.35 H new ATOM 0 HG3 LYS A 122 79.924 55.297 30.823 1.00 28.35 H new ATOM 0 HD2 LYS A 122 78.783 56.737 32.490 1.00 30.75 H new ATOM 0 HD3 LYS A 122 79.864 56.262 33.509 1.00 30.75 H new ATOM 0 HE2 LYS A 122 80.871 58.152 32.685 1.00 35.32 H new ATOM 0 HE3 LYS A 122 81.530 57.067 31.779 1.00 35.32 H new ATOM 0 HZ1 LYS A 122 80.597 58.728 30.454 1.00 37.62 H new ATOM 0 HZ2 LYS A 122 79.892 57.488 30.177 1.00 37.62 H new ATOM 0 HZ3 LYS A 122 79.278 58.499 31.021 1.00 37.62 H new ATOM 1005 N ALA A 123 80.623 51.661 31.320 1.00 22.54 N ATOM 1006 CA ALA A 123 81.939 51.079 30.898 1.00 22.49 C ATOM 1007 C ALA A 123 81.836 50.178 29.669 1.00 21.01 C ATOM 1008 O ALA A 123 82.694 50.215 28.805 1.00 20.16 O ATOM 1009 CB ALA A 123 82.581 50.258 32.045 1.00 22.46 C ATOM 0 H ALA A 123 80.344 51.414 32.095 1.00 22.54 H new ATOM 0 HA ALA A 123 82.493 51.842 30.672 1.00 22.49 H new ATOM 0 HB1 ALA A 123 83.429 49.893 31.747 1.00 22.46 H new ATOM 0 HB2 ALA A 123 82.729 50.833 32.812 1.00 22.46 H new ATOM 0 HB3 ALA A 123 81.988 49.533 32.295 1.00 22.46 H new ATOM 1010 N GLU A 124 80.805 49.336 29.659 1.00 20.00 N ATOM 1011 CA GLU A 124 80.537 48.465 28.539 1.00 20.56 C ATOM 1012 C GLU A 124 80.331 49.258 27.254 1.00 19.58 C ATOM 1013 O GLU A 124 80.890 48.914 26.190 1.00 18.64 O ATOM 1014 CB GLU A 124 79.296 47.607 28.797 1.00 19.64 C ATOM 1015 CG GLU A 124 79.560 46.317 29.530 1.00 21.15 C ATOM 1016 CD GLU A 124 78.268 45.555 29.803 1.00 20.70 C ATOM 1017 OE1 GLU A 124 77.418 46.077 30.577 1.00 20.40 O ATOM 1018 OE2 GLU A 124 78.102 44.464 29.199 1.00 20.92 O ATOM 0 H GLU A 124 80.245 49.260 30.307 1.00 20.00 H new ATOM 0 HA GLU A 124 81.312 47.891 28.436 1.00 20.56 H new ATOM 0 HB2 GLU A 124 78.658 48.129 29.307 1.00 19.64 H new ATOM 0 HB3 GLU A 124 78.878 47.401 27.946 1.00 19.64 H new ATOM 0 HG2 GLU A 124 80.159 45.763 29.006 1.00 21.15 H new ATOM 0 HG3 GLU A 124 80.009 46.506 30.369 1.00 21.15 H new ATOM 1019 N ARG A 125 79.491 50.281 27.341 1.00 19.70 N ATOM 1020 CA ARG A 125 79.170 51.067 26.152 1.00 21.31 C ATOM 1021 C ARG A 125 80.432 51.763 25.602 1.00 20.45 C ATOM 1022 O ARG A 125 80.592 51.896 24.402 1.00 20.02 O ATOM 1023 CB ARG A 125 78.100 52.095 26.459 1.00 20.85 C ATOM 1024 CG ARG A 125 76.697 51.512 26.772 1.00 22.95 C ATOM 1025 CD ARG A 125 75.635 52.612 26.622 1.00 24.66 C ATOM 1026 NE ARG A 125 75.708 53.566 27.716 1.00 27.01 N ATOM 1027 CZ ARG A 125 75.207 53.390 28.943 1.00 29.36 C ATOM 1028 NH1 ARG A 125 74.535 52.295 29.297 1.00 30.34 N ATOM 1029 NH2 ARG A 125 75.385 54.339 29.842 1.00 30.84 N ATOM 0 H ARG A 125 79.101 50.535 28.064 1.00 19.70 H new ATOM 0 HA ARG A 125 78.830 50.461 25.476 1.00 21.31 H new ATOM 0 HB2 ARG A 125 78.390 52.627 27.217 1.00 20.85 H new ATOM 0 HB3 ARG A 125 78.023 52.697 25.702 1.00 20.85 H new ATOM 0 HG2 ARG A 125 76.501 50.777 26.171 1.00 22.95 H new ATOM 0 HG3 ARG A 125 76.679 51.154 27.673 1.00 22.95 H new ATOM 0 HD2 ARG A 125 75.761 53.074 25.778 1.00 24.66 H new ATOM 0 HD3 ARG A 125 74.752 52.211 26.597 1.00 24.66 H new ATOM 0 HE ARG A 125 76.109 54.310 27.560 1.00 27.01 H new ATOM 0 HH11 ARG A 125 74.408 51.665 28.726 1.00 30.34 H new ATOM 0 HH12 ARG A 125 74.228 52.219 30.097 1.00 30.34 H new ATOM 0 HH21 ARG A 125 75.816 55.053 29.634 1.00 30.84 H new ATOM 0 HH22 ARG A 125 75.070 54.243 30.636 1.00 30.84 H new ATOM 1030 N LYS A 126 81.298 52.210 26.498 1.00 21.73 N ATOM 1031 CA LYS A 126 82.602 52.783 26.146 1.00 22.96 C ATOM 1032 C LYS A 126 83.519 51.723 25.485 1.00 23.15 C ATOM 1033 O LYS A 126 84.074 51.969 24.452 1.00 21.60 O ATOM 1034 CB LYS A 126 83.269 53.385 27.374 1.00 22.83 C ATOM 1035 CG LYS A 126 84.296 54.493 27.015 1.00 24.86 C ATOM 1036 CD LYS A 126 85.486 54.635 27.980 1.00 24.09 C ATOM 1037 CE LYS A 126 86.572 55.603 27.400 1.00 26.55 C ATOM 1038 NZ LYS A 126 87.539 56.183 28.457 1.00 26.78 N ATOM 0 H LYS A 126 81.148 52.192 27.345 1.00 21.73 H new ATOM 0 HA LYS A 126 82.455 53.491 25.499 1.00 22.96 H new ATOM 0 HB2 LYS A 126 82.589 53.756 27.958 1.00 22.83 H new ATOM 0 HB3 LYS A 126 83.717 52.683 27.871 1.00 22.83 H new ATOM 0 HG2 LYS A 126 84.641 54.316 26.126 1.00 24.86 H new ATOM 0 HG3 LYS A 126 83.830 55.343 26.975 1.00 24.86 H new ATOM 0 HD2 LYS A 126 85.174 54.970 28.835 1.00 24.09 H new ATOM 0 HD3 LYS A 126 85.880 53.764 28.143 1.00 24.09 H new ATOM 0 HE2 LYS A 126 87.089 55.128 26.731 1.00 26.55 H new ATOM 0 HE3 LYS A 126 86.127 56.337 26.947 1.00 26.55 H new ATOM 0 HZ1 LYS A 126 88.144 56.698 28.056 1.00 26.78 H new ATOM 0 HZ2 LYS A 126 87.080 56.668 29.045 1.00 26.78 H new ATOM 0 HZ3 LYS A 126 87.951 55.517 28.880 1.00 26.78 H new ATOM 1039 N GLU A 127 83.608 50.530 26.060 1.00 24.97 N ATOM 1040 CA GLU A 127 84.542 49.516 25.569 1.00 25.90 C ATOM 1041 C GLU A 127 84.169 49.103 24.180 1.00 27.09 C ATOM 1042 O GLU A 127 84.941 49.217 23.197 1.00 28.24 O ATOM 1043 CB GLU A 127 84.504 48.283 26.458 1.00 26.42 C ATOM 1044 CG GLU A 127 85.764 47.449 26.325 1.00 27.74 C ATOM 1045 CD GLU A 127 85.515 46.005 26.231 1.00 26.10 C ATOM 1046 OE1 GLU A 127 84.394 45.570 26.563 1.00 22.10 O ATOM 1047 OE2 GLU A 127 86.472 45.307 25.851 1.00 29.56 O ATOM 0 H GLU A 127 83.137 50.285 26.737 1.00 24.97 H new ATOM 0 HA GLU A 127 85.432 49.901 25.577 1.00 25.90 H new ATOM 0 HB2 GLU A 127 84.393 48.555 27.382 1.00 26.42 H new ATOM 0 HB3 GLU A 127 83.733 47.742 26.227 1.00 26.42 H new ATOM 0 HG2 GLU A 127 86.250 47.736 25.536 1.00 27.74 H new ATOM 0 HG3 GLU A 127 86.337 47.620 27.089 1.00 27.74 H new ATOM 1048 N LEU A 128 82.915 48.704 24.077 1.00 27.99 N ATOM 1049 CA LEU A 128 82.393 48.164 22.858 1.00 28.25 C ATOM 1050 C LEU A 128 82.219 49.305 21.854 1.00 29.00 C ATOM 1051 O LEU A 128 82.381 49.123 20.636 1.00 31.23 O ATOM 1052 CB LEU A 128 81.086 47.465 23.236 1.00 28.61 C ATOM 1053 CG LEU A 128 80.391 46.468 22.359 1.00 27.52 C ATOM 1054 CD1 LEU A 128 81.273 45.326 21.986 1.00 25.04 C ATOM 1055 CD2 LEU A 128 79.146 46.030 23.075 1.00 26.26 C ATOM 0 H LEU A 128 82.345 48.742 24.720 1.00 27.99 H new ATOM 0 HA LEU A 128 82.977 47.519 22.430 1.00 28.25 H new ATOM 0 HB2 LEU A 128 81.252 47.016 24.080 1.00 28.61 H new ATOM 0 HB3 LEU A 128 80.442 48.169 23.411 1.00 28.61 H new ATOM 0 HG LEU A 128 80.155 46.878 21.512 1.00 27.52 H new ATOM 0 HD11 LEU A 128 80.782 44.709 21.421 1.00 25.04 H new ATOM 0 HD12 LEU A 128 82.047 45.658 21.505 1.00 25.04 H new ATOM 0 HD13 LEU A 128 81.564 44.866 22.789 1.00 25.04 H new ATOM 0 HD21 LEU A 128 78.671 45.382 22.532 1.00 26.26 H new ATOM 0 HD22 LEU A 128 79.386 45.626 23.924 1.00 26.26 H new ATOM 0 HD23 LEU A 128 78.576 46.799 23.233 1.00 26.26 H new ATOM 1056 N GLY A 129 81.932 50.499 22.363 1.00 28.70 N ATOM 1057 CA GLY A 129 81.632 51.638 21.522 1.00 28.01 C ATOM 1058 C GLY A 129 80.162 51.746 21.139 1.00 28.49 C ATOM 1059 O GLY A 129 79.838 52.022 19.967 1.00 32.52 O ATOM 0 H GLY A 129 81.907 50.666 23.206 1.00 28.70 H new ATOM 0 HA2 GLY A 129 81.898 52.449 21.983 1.00 28.01 H new ATOM 0 HA3 GLY A 129 82.165 51.583 20.714 1.00 28.01 H new ATOM 1060 N LEU A 130 79.251 51.601 22.093 1.00 26.12 N ATOM 1061 CA LEU A 130 77.839 51.850 21.816 1.00 25.38 C ATOM 1062 C LEU A 130 77.543 53.327 21.982 1.00 25.02 C ATOM 1063 O LEU A 130 77.887 53.873 23.012 1.00 24.81 O ATOM 1064 CB LEU A 130 76.964 51.055 22.790 1.00 24.10 C ATOM 1065 CG LEU A 130 77.191 49.549 22.766 1.00 22.58 C ATOM 1066 CD1 LEU A 130 76.310 48.856 23.790 1.00 19.84 C ATOM 1067 CD2 LEU A 130 76.979 48.973 21.348 1.00 20.16 C ATOM 0 H LEU A 130 79.425 51.362 22.900 1.00 26.12 H new ATOM 0 HA LEU A 130 77.644 51.573 20.907 1.00 25.38 H new ATOM 0 HB2 LEU A 130 77.126 51.380 23.690 1.00 24.10 H new ATOM 0 HB3 LEU A 130 76.032 51.233 22.587 1.00 24.10 H new ATOM 0 HG LEU A 130 78.115 49.379 23.008 1.00 22.58 H new ATOM 0 HD11 LEU A 130 76.469 47.900 23.759 1.00 19.84 H new ATOM 0 HD12 LEU A 130 76.520 49.190 24.676 1.00 19.84 H new ATOM 0 HD13 LEU A 130 75.378 49.035 23.589 1.00 19.84 H new ATOM 0 HD21 LEU A 130 77.130 48.015 21.362 1.00 20.16 H new ATOM 0 HD22 LEU A 130 76.071 49.153 21.058 1.00 20.16 H new ATOM 0 HD23 LEU A 130 77.603 49.389 20.733 1.00 20.16 H new ATOM 1068 N PRO A 131 76.890 53.980 20.980 1.00 24.88 N ATOM 1069 CA PRO A 131 76.754 55.432 21.060 1.00 25.52 C ATOM 1070 C PRO A 131 75.616 55.940 21.966 1.00 25.68 C ATOM 1071 O PRO A 131 74.628 55.235 22.177 1.00 26.11 O ATOM 1072 CB PRO A 131 76.531 55.822 19.626 1.00 24.10 C ATOM 1073 CG PRO A 131 75.677 54.701 19.116 1.00 25.61 C ATOM 1074 CD PRO A 131 76.282 53.464 19.741 1.00 25.55 C ATOM 0 HA PRO A 131 77.535 55.830 21.474 1.00 25.52 H new ATOM 0 HB2 PRO A 131 76.085 56.680 19.550 1.00 24.10 H new ATOM 0 HB3 PRO A 131 77.366 55.892 19.137 1.00 24.10 H new ATOM 0 HG2 PRO A 131 74.750 54.814 19.378 1.00 25.61 H new ATOM 0 HG3 PRO A 131 75.694 54.654 18.147 1.00 25.61 H new ATOM 0 HD2 PRO A 131 75.610 52.789 19.925 1.00 25.55 H new ATOM 0 HD3 PRO A 131 76.943 53.055 19.160 1.00 25.55 H new ATOM 1075 N AASP A 132 75.800 57.137 22.532 0.60 26.19 N ATOM 1076 N BASP A 132 75.783 57.149 22.480 0.40 25.74 N ATOM 1077 CA AASP A 132 74.762 57.827 23.336 0.60 26.64 C ATOM 1078 CA BASP A 132 74.779 57.775 23.333 0.40 26.21 C ATOM 1079 C AASP A 132 73.520 58.163 22.496 0.60 26.17 C ATOM 1080 C BASP A 132 73.543 58.274 22.542 0.40 26.00 C ATOM 1081 O AASP A 132 72.407 57.971 22.952 0.60 26.44 O ATOM 1082 O BASP A 132 72.452 58.321 23.089 0.40 26.37 O ATOM 1083 CB AASP A 132 75.313 59.129 23.969 0.60 27.06 C ATOM 1084 CB BASP A 132 75.426 58.908 24.144 0.40 26.29 C ATOM 1085 CG AASP A 132 74.290 59.839 24.901 0.60 27.91 C ATOM 1086 CG BASP A 132 76.471 58.391 25.138 0.40 26.51 C ATOM 1087 OD1AASP A 132 73.712 59.225 25.844 0.60 31.56 O ATOM 1088 OD1BASP A 132 76.121 57.539 26.001 0.40 25.37 O ATOM 1089 OD2AASP A 132 74.082 61.048 24.705 0.60 31.80 O ATOM 1090 OD2BASP A 132 77.637 58.839 25.038 0.40 25.73 O ATOM 0 H AASP A 132 76.534 57.580 22.464 0.60 25.74 H new ATOM 0 H BASP A 132 76.482 57.632 22.345 0.40 25.74 H new ATOM 0 HA AASP A 132 74.506 57.212 24.041 0.60 26.21 H new ATOM 0 HA BASP A 132 74.444 57.098 23.942 0.40 26.21 H new ATOM 0 HB2AASP A 132 76.113 58.921 24.476 0.60 26.29 H new ATOM 0 HB2BASP A 132 75.844 59.539 23.537 0.40 26.29 H new ATOM 0 HB3AASP A 132 75.575 59.739 23.262 0.60 26.29 H new ATOM 0 HB3BASP A 132 74.737 59.392 24.625 0.40 26.29 H new ATOM 1091 N SER A 133 73.735 58.643 21.275 1.00 26.09 N ATOM 1092 CA SER A 133 72.630 58.948 20.319 1.00 26.70 C ATOM 1093 C SER A 133 73.007 58.461 18.932 1.00 26.87 C ATOM 1094 O SER A 133 74.183 58.112 18.695 1.00 26.69 O ATOM 1095 CB SER A 133 72.328 60.467 20.252 1.00 26.35 C ATOM 1096 OG SER A 133 73.483 61.219 19.824 1.00 24.56 O ATOM 0 H ASER A 133 74.520 58.806 20.963 0.60 26.09 H new ATOM 0 H BSER A 133 74.518 58.728 20.929 0.40 26.09 H new ATOM 0 HA SER A 133 71.835 58.492 20.636 1.00 26.70 H new ATOM 0 HB2 SER A 133 71.593 60.625 19.639 1.00 26.35 H new ATOM 0 HB3 SER A 133 72.042 60.780 21.125 1.00 26.35 H new ATOM 0 HG SER A 133 73.291 62.036 19.795 1.00 24.56 H new ATOM 1097 N LEU A 134 72.033 58.476 18.012 1.00 27.65 N ATOM 1098 CA LEU A 134 72.217 58.046 16.604 1.00 28.90 C ATOM 1099 C LEU A 134 72.076 59.203 15.564 1.00 30.04 C ATOM 1100 O LEU A 134 71.167 60.049 15.645 1.00 28.81 O ATOM 1101 CB LEU A 134 71.243 56.914 16.221 1.00 27.87 C ATOM 1102 CG LEU A 134 71.360 55.640 17.054 1.00 27.50 C ATOM 1103 CD1 LEU A 134 70.095 54.718 16.973 1.00 25.97 C ATOM 1104 CD2 LEU A 134 72.626 54.877 16.716 1.00 27.57 C ATOM 0 H LEU A 134 71.233 58.739 18.186 1.00 27.65 H new ATOM 0 HA LEU A 134 73.132 57.726 16.566 1.00 28.90 H new ATOM 0 HB2 LEU A 134 70.336 57.249 16.296 1.00 27.87 H new ATOM 0 HB3 LEU A 134 71.385 56.687 15.289 1.00 27.87 H new ATOM 0 HG LEU A 134 71.415 55.929 17.978 1.00 27.50 H new ATOM 0 HD11 LEU A 134 70.233 53.930 17.521 1.00 25.97 H new ATOM 0 HD12 LEU A 134 69.319 55.204 17.295 1.00 25.97 H new ATOM 0 HD13 LEU A 134 69.949 54.449 16.053 1.00 25.97 H new ATOM 0 HD21 LEU A 134 72.675 54.074 17.258 1.00 27.57 H new ATOM 0 HD22 LEU A 134 72.616 54.632 15.777 1.00 27.57 H new ATOM 0 HD23 LEU A 134 73.398 55.436 16.896 1.00 27.57 H new ATOM 1105 N GLU A 135 73.018 59.167 14.619 1.00 31.16 N ATOM 1106 CA AGLU A 135 73.146 60.097 13.499 0.50 31.77 C ATOM 1107 CA BGLU A 135 73.123 60.118 13.525 0.50 31.78 C ATOM 1108 C GLU A 135 72.333 59.541 12.373 1.00 32.34 C ATOM 1109 O GLU A 135 71.897 58.400 12.426 1.00 31.76 O ATOM 1110 CB AGLU A 135 74.602 60.160 13.000 0.50 31.24 C ATOM 1111 CB BGLU A 135 74.613 60.369 13.146 0.50 31.20 C ATOM 1112 CG AGLU A 135 75.398 61.407 13.260 0.50 30.38 C ATOM 1113 CG BGLU A 135 75.384 61.133 14.236 0.50 30.65 C ATOM 1114 CD AGLU A 135 76.635 61.440 12.375 0.50 30.58 C ATOM 1115 CD BGLU A 135 76.920 60.919 14.297 0.50 30.59 C ATOM 1116 OE1AGLU A 135 77.299 60.370 12.284 0.50 30.36 O ATOM 1117 OE1BGLU A 135 77.628 61.025 13.274 0.50 30.73 O ATOM 1118 OE2AGLU A 135 76.923 62.487 11.749 0.50 23.00 O ATOM 1119 OE2BGLU A 135 77.434 60.694 15.413 0.50 23.96 O ATOM 0 H AGLU A 135 73.632 58.565 14.616 0.50 31.16 H new ATOM 0 H BGLU A 135 73.632 58.565 14.602 0.50 31.16 H new ATOM 0 HA AGLU A 135 72.859 60.979 13.782 0.50 31.78 H new ATOM 0 HA BGLU A 135 72.765 60.984 13.775 0.50 31.78 H new ATOM 0 HB2AGLU A 135 75.082 59.416 13.397 0.50 31.20 H new ATOM 0 HB2BGLU A 135 75.049 59.518 12.983 0.50 31.20 H new ATOM 0 HB3AGLU A 135 74.592 60.012 12.041 0.50 31.20 H new ATOM 0 HB3BGLU A 135 74.652 60.870 12.317 0.50 31.20 H new ATOM 0 HG2AGLU A 135 74.850 62.189 13.089 0.50 30.65 H new ATOM 0 HG2BGLU A 135 75.217 62.081 14.115 0.50 30.65 H new ATOM 0 HG3AGLU A 135 75.660 61.442 14.193 0.50 30.65 H new ATOM 0 HG3BGLU A 135 75.011 60.887 15.097 0.50 30.65 H new ATOM 1120 N GLY A 136 72.168 60.332 11.322 1.00 35.08 N ATOM 1121 CA GLY A 136 71.315 59.930 10.195 1.00 36.74 C ATOM 1122 C GLY A 136 69.825 60.066 10.514 1.00 39.59 C ATOM 1123 O GLY A 136 68.971 59.352 9.933 1.00 42.51 O ATOM 0 H GLY A 136 72.537 61.104 11.235 1.00 35.08 H new ATOM 0 HA2 GLY A 136 71.528 60.474 9.421 1.00 36.74 H new ATOM 0 HA3 GLY A 136 71.510 59.010 9.957 1.00 36.74 H new ATOM 1124 N GLY A 137 69.492 60.939 11.466 1.00 41.49 N ATOM 1125 CA GLY A 137 68.134 61.447 11.570 1.00 42.93 C ATOM 1126 C GLY A 137 67.839 62.309 10.349 1.00 44.76 C ATOM 1127 O GLY A 137 68.726 63.030 9.822 1.00 44.80 O ATOM 0 H GLY A 137 70.038 61.245 12.056 1.00 41.49 H new ATOM 0 HA2 GLY A 137 67.503 60.712 11.623 1.00 42.93 H new ATOM 0 HA3 GLY A 137 68.031 61.968 12.382 1.00 42.93 H new ATOM 1128 N SER A 138 66.592 62.245 9.889 1.00 46.54 N ATOM 1129 CA SER A 138 66.195 63.019 8.722 1.00 47.51 C ATOM 1130 C SER A 138 65.850 64.462 9.135 1.00 48.09 C ATOM 1131 O SER A 138 65.420 64.725 10.273 1.00 47.11 O ATOM 1132 CB SER A 138 65.039 62.342 7.947 1.00 48.41 C ATOM 1133 OG SER A 138 65.522 61.801 6.713 1.00 50.97 O ATOM 0 H SER A 138 65.968 61.764 10.235 1.00 46.54 H new ATOM 0 HA SER A 138 66.946 63.054 8.109 1.00 47.51 H new ATOM 0 HB2 SER A 138 64.648 61.637 8.486 1.00 48.41 H new ATOM 0 HB3 SER A 138 64.336 62.987 7.772 1.00 48.41 H new ATOM 0 HG SER A 138 65.495 62.393 6.118 1.00 50.97 H new ATOM 1134 N HIS A 139 66.072 65.379 8.189 1.00 48.42 N ATOM 1135 CA HIS A 139 65.892 66.798 8.427 1.00 49.04 C ATOM 1136 C HIS A 139 64.512 67.197 7.931 1.00 49.83 C ATOM 1137 O HIS A 139 63.971 66.578 7.005 1.00 50.68 O ATOM 1138 CB HIS A 139 66.977 67.594 7.727 1.00 48.83 C ATOM 1139 CG HIS A 139 68.293 67.614 8.453 1.00 49.76 C ATOM 1140 ND1 HIS A 139 68.539 68.449 9.524 1.00 49.00 N ATOM 1141 CD2 HIS A 139 69.456 66.952 8.218 1.00 50.22 C ATOM 1142 CE1 HIS A 139 69.790 68.291 9.923 1.00 48.70 C ATOM 1143 NE2 HIS A 139 70.366 67.383 9.156 1.00 47.72 N ATOM 0 H HIS A 139 66.332 65.187 7.392 1.00 48.42 H new ATOM 0 HA HIS A 139 65.960 66.989 9.376 1.00 49.04 H new ATOM 0 HB2 HIS A 139 67.114 67.225 6.841 1.00 48.83 H new ATOM 0 HB3 HIS A 139 66.670 68.507 7.610 1.00 48.83 H new ATOM 0 HD2 HIS A 139 69.609 66.325 7.548 1.00 50.22 H new ATOM 0 HE1 HIS A 139 70.196 68.744 10.626 1.00 48.70 H new ATOM 0 HE2 HIS A 139 71.177 67.106 9.231 1.00 47.72 H new ATOM 1144 N HIS A 140 63.934 68.208 8.570 1.00 50.64 N ATOM 1145 CA HIS A 140 62.565 68.651 8.287 1.00 50.60 C ATOM 1146 C HIS A 140 62.607 70.113 7.935 1.00 50.85 C ATOM 1147 O HIS A 140 62.716 70.943 8.830 1.00 50.74 O ATOM 1148 CB HIS A 140 61.686 68.498 9.521 1.00 51.19 C ATOM 1149 CG HIS A 140 61.558 67.097 10.008 1.00 50.76 C ATOM 1150 ND1 HIS A 140 60.347 66.448 10.061 1.00 53.02 N ATOM 1151 CD2 HIS A 140 62.480 66.219 10.458 1.00 51.86 C ATOM 1152 CE1 HIS A 140 60.529 65.229 10.531 1.00 53.79 C ATOM 1153 NE2 HIS A 140 61.816 65.064 10.778 1.00 53.37 N ATOM 0 H HIS A 140 64.326 68.663 9.186 1.00 50.64 H new ATOM 0 HA HIS A 140 62.204 68.116 7.563 1.00 50.60 H new ATOM 0 HB2 HIS A 140 62.049 69.046 10.234 1.00 51.19 H new ATOM 0 HB3 HIS A 140 60.802 68.842 9.321 1.00 51.19 H new ATOM 0 HD2 HIS A 140 63.394 66.370 10.536 1.00 51.86 H new ATOM 0 HE1 HIS A 140 59.864 64.593 10.666 1.00 53.79 H new ATOM 0 HE2 HIS A 140 62.178 64.349 11.089 1.00 53.37 H new TER 1154 HIS A 140 HETATM 1155 O HOH A 145 67.549 34.587 21.896 0.50 5.85 O HETATM 1156 O HOH A 146 50.191 38.943 23.611 0.50 22.96 O HETATM 1157 O HOH A 147 53.205 38.491 27.259 0.50 24.29 O HETATM 1158 O HOH A 148 61.470 52.707 20.844 1.00 14.08 O HETATM 1159 O HOH A 149 62.380 27.563 10.933 1.00 15.05 O HETATM 1160 O HOH A 150 52.386 50.789 9.822 1.00 14.63 O HETATM 1161 O HOH A 151 54.878 44.339 6.028 1.00 15.25 O HETATM 1162 O HOH A 152 54.551 50.204 7.780 1.00 16.64 O HETATM 1163 O HOH A 153 50.182 45.189 15.845 1.00 16.88 O HETATM 1164 O HOH A 154 70.307 43.994 10.102 1.00 17.00 O HETATM 1165 O HOH A 155 71.945 43.755 12.644 1.00 17.21 O HETATM 1166 O HOH A 156 86.763 47.889 22.173 1.00 17.43 O HETATM 1167 O HOH A 157 55.731 39.217 11.497 1.00 17.94 O HETATM 1168 O HOH A 158 60.026 39.943 26.884 1.00 17.79 O HETATM 1169 O HOH A 159 75.570 45.333 32.418 1.00 18.84 O HETATM 1170 O HOH A 160 63.708 32.085 15.272 1.00 19.29 O HETATM 1171 O HOH A 161 57.514 28.545 7.543 1.00 20.31 O HETATM 1172 O HOH A 162 83.638 54.317 23.183 1.00 21.13 O HETATM 1173 O HOH A 163 53.858 40.662 30.051 1.00 21.87 O HETATM 1174 O HOH A 164 65.530 55.192 23.222 1.00 22.87 O HETATM 1175 O HOH A 165 65.132 57.220 18.056 1.00 22.47 O HETATM 1176 O HOH A 166 61.370 55.215 21.773 1.00 22.93 O HETATM 1177 O HOH A 167 60.997 50.186 28.185 1.00 22.92 O HETATM 1178 O HOH A 168 56.143 39.627 4.845 1.00 23.26 O HETATM 1179 O HOH A 169 47.528 45.427 16.148 1.00 23.71 O HETATM 1180 O HOH A 170 65.583 57.205 21.565 1.00 23.91 O HETATM 1181 O HOH A 171 60.971 55.307 24.280 1.00 23.80 O HETATM 1182 O HOH A 172 69.491 59.317 18.297 1.00 24.38 O HETATM 1183 O HOH A 173 64.764 30.022 21.716 1.00 24.48 O HETATM 1184 O HOH A 174 54.705 52.667 7.319 1.00 24.95 O HETATM 1185 O HOH A 175 79.945 55.050 28.132 1.00 24.84 O HETATM 1186 O HOH A 176 70.341 34.494 19.247 1.00 25.40 O HETATM 1187 O HOH A 177 47.179 45.421 12.471 1.00 25.42 O HETATM 1188 O HOH A 178 76.990 41.856 31.980 1.00 26.00 O HETATM 1189 O HOH A 179 85.266 52.533 31.056 1.00 26.04 O HETATM 1190 O HOH A 180 67.468 55.760 25.101 1.00 27.25 O HETATM 1191 O HOH A 181 69.749 61.238 13.963 1.00 27.52 O HETATM 1192 O HOH A 182 57.213 35.685 16.496 1.00 27.95 O HETATM 1193 O HOH A 183 88.845 45.558 26.323 1.00 28.21 O HETATM 1194 O HOH A 184 70.006 59.263 23.016 1.00 28.35 O HETATM 1195 O HOH A 185 50.077 40.054 9.658 1.00 28.64 O HETATM 1196 O HOH A 186 46.743 47.883 11.176 1.00 28.41 O HETATM 1197 O HOH A 187 44.812 52.629 14.754 1.00 29.62 O HETATM 1198 O HOH A 188 76.153 46.473 12.927 1.00 29.69 O HETATM 1199 O HOH A 189 79.975 55.220 25.242 1.00 30.08 O HETATM 1200 O HOH A 190 76.540 52.420 34.140 1.00 30.21 O HETATM 1201 O HOH A 191 57.188 31.620 11.735 1.00 30.40 O HETATM 1202 O HOH A 192 46.108 52.229 12.715 1.00 30.55 O HETATM 1203 O HOH A 193 81.989 41.326 20.532 1.00 31.25 O HETATM 1204 O HOH A 194 60.319 25.073 12.536 1.00 30.86 O HETATM 1205 O HOH A 195 53.279 51.201 28.332 1.00 30.87 O HETATM 1206 O HOH A 196 66.861 54.855 27.536 1.00 30.74 O HETATM 1207 O HOH A 197 54.459 35.135 14.910 1.00 30.90 O HETATM 1208 O HOH A 198 51.702 59.023 16.971 1.00 31.16 O HETATM 1209 O HOH A 199 68.137 45.290 3.314 1.00 31.40 O HETATM 1210 O HOH A 200 69.702 36.716 8.968 1.00 31.88 O HETATM 1211 O HOH A 201 52.981 47.035 25.755 1.00 32.28 O HETATM 1212 O HOH A 202 72.778 49.677 32.476 1.00 32.05 O HETATM 1213 O HOH A 203 63.633 55.412 25.347 1.00 32.61 O HETATM 1214 O HOH A 204 73.987 39.473 11.633 1.00 32.23 O HETATM 1215 O HOH A 205 89.139 57.627 26.989 1.00 32.57 O HETATM 1216 O HOH A 206 46.109 46.785 18.084 1.00 32.85 O HETATM 1217 O HOH A 207 53.989 37.632 15.076 1.00 32.78 O HETATM 1218 O HOH A 208 78.539 58.265 22.375 1.00 33.26 O HETATM 1219 O HOH A 209 70.339 31.974 14.460 1.00 33.67 O HETATM 1220 O HOH A 210 51.271 40.082 16.944 1.00 33.29 O HETATM 1221 O HOH A 211 59.668 48.294 1.406 1.00 34.50 O HETATM 1222 O HOH A 212 71.025 38.020 17.148 1.00 33.25 O HETATM 1223 O HOH A 213 70.757 70.432 7.852 1.00 34.43 O HETATM 1224 O HOH A 214 43.874 45.783 13.976 1.00 34.78 O HETATM 1225 O HOH A 215 71.603 42.289 7.308 1.00 34.76 O HETATM 1226 O HOH A 216 68.064 28.714 19.695 1.00 34.40 O HETATM 1227 O HOH A 217 54.312 56.271 5.919 1.00 35.06 O HETATM 1228 O HOH A 218 62.055 49.724 0.368 1.00 36.04 O HETATM 1229 O HOH A 219 59.047 68.136 12.183 1.00 35.59 O HETATM 1230 O HOH A 220 76.704 59.175 10.261 1.00 36.00 O HETATM 1231 O HOH A 221 73.632 46.692 32.855 1.00 36.14 O HETATM 1232 O HOH A 222 59.115 60.216 14.729 1.00 36.47 O HETATM 1233 O HOH A 223 44.130 51.744 10.768 1.00 35.82 O HETATM 1234 O HOH A 224 41.578 47.588 17.105 1.00 36.99 O HETATM 1235 O HOH A 225 66.476 46.489 27.751 1.00 37.27 O HETATM 1236 O HOH A 226 66.891 52.948 5.898 1.00 37.18 O HETATM 1237 O HOH A 227 85.426 50.887 29.316 1.00 37.14 O HETATM 1238 O HOH A 228 54.990 53.306 4.961 1.00 37.90 O HETATM 1239 O HOH A 229 79.059 59.822 33.460 1.00 37.86 O HETATM 1240 O HOH A 230 59.533 23.885 17.519 1.00 37.93 O HETATM 1241 O HOH A 231 76.925 36.722 28.560 1.00 37.82 O HETATM 1242 O HOH A 232 80.552 54.812 22.777 1.00 38.00 O HETATM 1243 O HOH A 233 50.937 56.123 7.435 1.00 39.88 O HETATM 1244 O HOH A 234 67.145 52.203 28.864 1.00 38.98 O HETATM 1245 O HOH A 235 67.383 64.376 5.789 1.00 39.41 O HETATM 1246 O HOH A 236 65.574 52.175 32.142 1.00 39.09 O HETATM 1247 O HOH A 237 65.027 51.060 29.901 1.00 41.25 O HETATM 1248 O HOH A 238 48.726 57.733 26.787 1.00 41.09 O HETATM 1249 O HOH A 239 71.320 57.347 8.447 1.00 41.77 O HETATM 1250 O HOH A 240 54.351 42.219 32.060 1.00 42.02 O HETATM 1251 O HOH A 241 53.279 39.867 -0.805 1.00 40.93 O HETATM 1252 O HOH A 242 56.017 29.474 9.848 1.00 42.27 O HETATM 1253 O HOH A 243 67.103 42.526 2.750 1.00 42.35 O HETATM 1254 O HOH A 244 60.266 57.901 25.075 1.00 42.31 O HETATM 1255 O HOH A 245 77.669 48.463 10.274 1.00 43.02 O HETATM 1256 O HOH A 246 53.502 32.996 12.086 1.00 42.35 O HETATM 1257 O HOH A 247 69.358 43.892 31.586 1.00 42.57 O HETATM 1258 O HOH A 248 65.094 36.726 5.255 1.00 42.00 O HETATM 1259 O HOH A 249 61.495 72.044 6.347 1.00 43.66 O HETATM 1260 O HOH A 250 74.570 61.353 16.841 1.00 45.93 O HETATM 1261 O HOH A 251 48.867 59.459 22.218 1.00 45.61 O HETATM 1262 O HOH A 252 61.626 65.264 6.333 1.00 46.92 O HETATM 1263 O HOH A 253 64.393 71.009 5.687 1.00 49.44 O HETATM 1264 O HOH A 254 61.907 60.518 7.117 1.00 50.93 O HETATM 1265 O HOH A 255 54.790 59.120 20.879 1.00 51.86 O END