HEADER ISOMERASE 25-OCT-05 2ES7 TITLE CRYSTAL STRUCTURE OF Q8ZP25 FROM SALMONELLA TYPHIMURIUM TITLE 2 LT2. NESG TARGET STR70 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE THIOL-DISULFIDE ISOMERASE AND COMPND 3 THIOREDOXIN; COMPND 4 CHAIN: A, B, C, D; COMPND 5 SYNONYM: Q8ZP25_SALTY; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; SOURCE 3 ORGANISM_TAXID: 99287; SOURCE 4 STRAIN: LT2; SOURCE 5 GENE: STM1790; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21 KEYWDS STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, KEYWDS 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG, ISOMERASE EXPDTA X-RAY DIFFRACTION AUTHOR J.BENACH,M.SU,F.FOROUHAR,Y.CHEN,C.K.HO,H.JANJUA, AUTHOR 2 K.CUNNINGHAM,L.-C.MA,X.RONG,J.LIU,M.BARAN,T.B.ACTON,B.ROST, AUTHOR 3 G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) REVDAT 3 24-FEB-09 2ES7 1 VERSN REVDAT 2 27-FEB-07 2ES7 1 AUTHOR REVDAT 1 01-NOV-05 2ES7 0 JRNL AUTH J.BENACH,M.SU,F.FOROUHAR,Y.CHEN,H.JANJUA,B.X.RONG, JRNL AUTH 2 T.B.ACTON,G.T.MONTELIONE,J.F.HUNT,L.TONG JRNL TITL CRYSTAL STRUCTURE OF Q8ZP25 FROM SALMONELLA JRNL TITL 2 TYPHIMURIUM LT2 NESG TARGET STR70. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.90 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 364563.160 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.9 REMARK 3 NUMBER OF REFLECTIONS : 24633 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 SET) : 0.285 REMARK 3 FREE R VALUE : 0.338 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.600 REMARK 3 FREE R VALUE TEST SET COUNT : 2372 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.97 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.10 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3629 REMARK 3 BIN R VALUE (WORKING SET) : 0.3270 REMARK 3 BIN FREE R VALUE : 0.3960 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.50 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 379 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.020 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3280 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 560 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 85.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 36.20 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 5.26000 REMARK 3 B22 (A**2) : -4.69000 REMARK 3 B33 (A**2) : -0.56000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.42000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.42 REMARK 3 ESD FROM SIGMAA (A) : 0.29 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.54 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.53 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.017 REMARK 3 BOND ANGLES (DEGREES) : 2.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 3.88 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.360 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.380 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.920 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.950 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.16 REMARK 3 BSOL : 98.41 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2ES7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-OCT-05. REMARK 100 THE RCSB ID CODE IS RCSB035027. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-AUG-05 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97925, 0.97955, 0.96782 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25130 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 200 DATA REDUNDANCY : 4.000 REMARK 200 R MERGE (I) : 0.04900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 35.3700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.85 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.4 REMARK 200 DATA REDUNDANCY IN SHELL : 3.40 REMARK 200 R MERGE FOR SHELL (I) : 0.12200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 9.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE/RESOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.60 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: VAPOR DIFFUSION, HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 35.57800 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B 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 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: C 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 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: D 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 MSE A 1 REMARK 465 ALA A 2 REMARK 465 ASN A 3 REMARK 465 ASP A 4 REMARK 465 THR A 5 REMARK 465 PRO A 6 REMARK 465 THR A 26 REMARK 465 VAL A 27 REMARK 465 ASP A 28 REMARK 465 ASP A 29 REMARK 465 TRP A 30 REMARK 465 ILE A 31 REMARK 465 LYS A 32 REMARK 465 ARG A 33 REMARK 465 THR A 48 REMARK 465 PRO A 49 REMARK 465 GLU A 50 REMARK 465 VAL A 51 REMARK 465 LYS A 102 REMARK 465 LEU A 103 REMARK 465 ARG A 104 REMARK 465 GLY A 105 REMARK 465 THR A 126 REMARK 465 PRO A 127 REMARK 465 ALA A 128 REMARK 465 ALA A 129 REMARK 465 GLN A 130 REMARK 465 GLU A 131 REMARK 465 THR A 132 REMARK 465 VAL A 133 REMARK 465 GLN A 134 REMARK 465 LEU A 135 REMARK 465 GLU A 136 REMARK 465 HIS A 137 REMARK 465 HIS A 138 REMARK 465 HIS A 139 REMARK 465 HIS A 140 REMARK 465 HIS A 141 REMARK 465 HIS A 142 REMARK 465 MSE B 1 REMARK 465 ALA B 2 REMARK 465 ASN B 3 REMARK 465 ASP B 4 REMARK 465 THR B 5 REMARK 465 PRO B 6 REMARK 465 THR B 26 REMARK 465 VAL B 27 REMARK 465 ASP B 28 REMARK 465 ASP B 29 REMARK 465 TRP B 30 REMARK 465 ILE B 31 REMARK 465 LYS B 32 REMARK 465 ARG B 33 REMARK 465 THR B 48 REMARK 465 PRO B 49 REMARK 465 GLU B 50 REMARK 465 VAL B 51 REMARK 465 LYS B 102 REMARK 465 LEU B 103 REMARK 465 ARG B 104 REMARK 465 GLY B 105 REMARK 465 THR B 126 REMARK 465 PRO B 127 REMARK 465 ALA B 128 REMARK 465 ALA B 129 REMARK 465 GLN B 130 REMARK 465 GLU B 131 REMARK 465 THR B 132 REMARK 465 VAL B 133 REMARK 465 GLN B 134 REMARK 465 LEU B 135 REMARK 465 GLU B 136 REMARK 465 HIS B 137 REMARK 465 HIS B 138 REMARK 465 HIS B 139 REMARK 465 HIS B 140 REMARK 465 HIS B 141 REMARK 465 HIS B 142 REMARK 465 MSE C 1 REMARK 465 ALA C 2 REMARK 465 ASN C 3 REMARK 465 ASP C 4 REMARK 465 THR C 5 REMARK 465 PRO C 6 REMARK 465 THR C 26 REMARK 465 VAL C 27 REMARK 465 ASP C 28 REMARK 465 ASP C 29 REMARK 465 TRP C 30 REMARK 465 ILE C 31 REMARK 465 LYS C 32 REMARK 465 ARG C 33 REMARK 465 THR C 48 REMARK 465 PRO C 49 REMARK 465 GLU C 50 REMARK 465 VAL C 51 REMARK 465 LYS C 102 REMARK 465 LEU C 103 REMARK 465 ARG C 104 REMARK 465 GLY C 105 REMARK 465 THR C 126 REMARK 465 PRO C 127 REMARK 465 ALA C 128 REMARK 465 ALA C 129 REMARK 465 GLN C 130 REMARK 465 GLU C 131 REMARK 465 THR C 132 REMARK 465 VAL C 133 REMARK 465 GLN C 134 REMARK 465 LEU C 135 REMARK 465 GLU C 136 REMARK 465 HIS C 137 REMARK 465 HIS C 138 REMARK 465 HIS C 139 REMARK 465 HIS C 140 REMARK 465 HIS C 141 REMARK 465 HIS C 142 REMARK 465 MSE D 1 REMARK 465 ALA D 2 REMARK 465 ASN D 3 REMARK 465 ASP D 4 REMARK 465 THR D 5 REMARK 465 PRO D 6 REMARK 465 THR D 26 REMARK 465 VAL D 27 REMARK 465 ASP D 28 REMARK 465 ASP D 29 REMARK 465 TRP D 30 REMARK 465 ILE D 31 REMARK 465 LYS D 32 REMARK 465 ARG D 33 REMARK 465 THR D 48 REMARK 465 PRO D 49 REMARK 465 GLU D 50 REMARK 465 VAL D 51 REMARK 465 LYS D 102 REMARK 465 LEU D 103 REMARK 465 ARG D 104 REMARK 465 GLY D 105 REMARK 465 THR D 126 REMARK 465 PRO D 127 REMARK 465 ALA D 128 REMARK 465 ALA D 129 REMARK 465 GLN D 130 REMARK 465 GLU D 131 REMARK 465 THR D 132 REMARK 465 VAL D 133 REMARK 465 GLN D 134 REMARK 465 LEU D 135 REMARK 465 GLU D 136 REMARK 465 HIS D 137 REMARK 465 HIS D 138 REMARK 465 HIS D 139 REMARK 465 HIS D 140 REMARK 465 HIS D 141 REMARK 465 HIS D 142 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 THR A 99 N THR A 99 CA -0.128 REMARK 500 PHE A 98 C THR A 99 N -0.424 REMARK 500 THR A 99 C ASP A 100 N -0.494 REMARK 500 PHE D 98 C THR D 99 N 0.145 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PHE A 98 CA - C - N ANGL. DEV. = 18.4 DEGREES REMARK 500 PHE A 98 O - C - N ANGL. DEV. = -18.0 DEGREES REMARK 500 THR A 99 O - C - N ANGL. DEV. = -112.3 DEGREES REMARK 500 ASP A 100 C - N - CA ANGL. DEV. = 37.6 DEGREES REMARK 500 GLY A 101 N - CA - C ANGL. DEV. = -15.5 DEGREES REMARK 500 THR B 99 CA - C - N ANGL. DEV. = -19.0 DEGREES REMARK 500 THR B 99 O - C - N ANGL. DEV. = 10.1 DEGREES REMARK 500 THR C 99 CA - C - N ANGL. DEV. = -18.9 DEGREES REMARK 500 THR C 99 O - C - N ANGL. DEV. = 10.1 DEGREES REMARK 500 THR D 99 CA - C - N ANGL. DEV. = -19.0 DEGREES REMARK 500 THR D 99 O - C - N ANGL. DEV. = 10.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 24 32.98 -66.62 REMARK 500 ARG A 46 42.58 -70.79 REMARK 500 ASP A 76 -173.54 -63.31 REMARK 500 ARG A 86 -37.56 -39.47 REMARK 500 ASP A 100 1.28 39.08 REMARK 500 ALA B 24 32.99 -66.93 REMARK 500 ARG B 46 42.57 -70.44 REMARK 500 ASP B 76 -174.04 -64.23 REMARK 500 GLN B 79 -9.17 -58.35 REMARK 500 ILE B 83 86.79 -69.80 REMARK 500 ASP B 100 2.78 94.48 REMARK 500 ALA C 24 35.56 -68.21 REMARK 500 ARG C 46 41.08 -69.41 REMARK 500 ASP C 76 -173.15 -65.46 REMARK 500 ARG C 86 -37.54 -39.62 REMARK 500 ASP C 100 2.78 94.44 REMARK 500 ALA D 24 34.41 -69.25 REMARK 500 ARG D 46 40.97 -71.02 REMARK 500 ASP D 76 -174.44 -65.55 REMARK 500 GLN D 79 -7.76 -58.77 REMARK 500 ARG D 86 -37.63 -38.92 REMARK 500 ASP D 100 2.69 94.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 THR A 99 142.94 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B3008 DISTANCE = 5.20 ANGSTROMS REMARK 525 HOH D3058 DISTANCE = 5.15 ANGSTROMS REMARK 525 HOH C3079 DISTANCE = 5.29 ANGSTROMS REMARK 525 HOH C3081 DISTANCE = 7.61 ANGSTROMS REMARK 525 HOH C3083 DISTANCE = 5.39 ANGSTROMS REMARK 525 HOH D3088 DISTANCE = 5.12 ANGSTROMS REMARK 525 HOH C3090 DISTANCE = 5.40 ANGSTROMS REMARK 525 HOH A3097 DISTANCE = 5.41 ANGSTROMS REMARK 525 HOH A3098 DISTANCE = 5.69 ANGSTROMS REMARK 525 HOH A3100 DISTANCE = 5.33 ANGSTROMS REMARK 525 HOH B3092 DISTANCE = 8.95 ANGSTROMS REMARK 525 HOH C3095 DISTANCE = 5.95 ANGSTROMS REMARK 525 HOH C3096 DISTANCE = 7.01 ANGSTROMS REMARK 525 HOH A3103 DISTANCE = 6.60 ANGSTROMS REMARK 525 HOH C3098 DISTANCE = 5.13 ANGSTROMS REMARK 525 HOH B3096 DISTANCE = 8.78 ANGSTROMS REMARK 525 HOH B3098 DISTANCE = 5.61 ANGSTROMS REMARK 525 HOH A3109 DISTANCE = 5.93 ANGSTROMS REMARK 525 HOH B3101 DISTANCE = 6.06 ANGSTROMS REMARK 525 HOH D3106 DISTANCE = 6.52 ANGSTROMS REMARK 525 HOH B3102 DISTANCE = 6.76 ANGSTROMS REMARK 525 HOH C3110 DISTANCE = 5.56 ANGSTROMS REMARK 525 HOH B3108 DISTANCE = 5.59 ANGSTROMS REMARK 525 HOH A3118 DISTANCE = 5.73 ANGSTROMS REMARK 525 HOH C3113 DISTANCE = 5.38 ANGSTROMS REMARK 525 HOH B3112 DISTANCE = 7.82 ANGSTROMS REMARK 525 HOH B3113 DISTANCE = 6.07 ANGSTROMS REMARK 525 HOH B3116 DISTANCE = 6.17 ANGSTROMS REMARK 525 HOH A3126 DISTANCE = 6.98 ANGSTROMS REMARK 525 HOH A3127 DISTANCE = 5.61 ANGSTROMS REMARK 525 HOH B3119 DISTANCE = 7.32 ANGSTROMS REMARK 525 HOH A3129 DISTANCE = 9.17 ANGSTROMS REMARK 525 HOH C3124 DISTANCE = 6.04 ANGSTROMS REMARK 525 HOH A3134 DISTANCE = 7.23 ANGSTROMS REMARK 525 HOH B3126 DISTANCE = 5.79 ANGSTROMS REMARK 525 HOH C3130 DISTANCE = 5.30 ANGSTROMS REMARK 525 HOH A3138 DISTANCE = 5.73 ANGSTROMS REMARK 525 HOH A3139 DISTANCE = 6.69 ANGSTROMS REMARK 525 HOH D3136 DISTANCE = 5.15 ANGSTROMS REMARK 525 HOH C3135 DISTANCE = 5.49 ANGSTROMS REMARK 525 HOH D3142 DISTANCE = 6.97 ANGSTROMS REMARK 525 HOH A3147 DISTANCE = 7.10 ANGSTROMS REMARK 525 HOH D3143 DISTANCE = 8.07 ANGSTROMS REMARK 525 HOH B3144 DISTANCE = 5.18 ANGSTROMS REMARK 525 HOH B3149 DISTANCE = 5.65 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: STR70 RELATED DB: TARGETDB DBREF 2ES7 A 1 134 GB 16420320 AAL20705 1 134 DBREF 2ES7 B 1 134 GB 16420320 AAL20705 1 134 DBREF 2ES7 C 1 134 GB 16420320 AAL20705 1 134 DBREF 2ES7 D 1 134 GB 16420320 AAL20705 1 134 SEQADV 2ES7 MSE A 1 GB 16420320 MET 1 MODIFIED RESIDUE SEQADV 2ES7 MSE A 57 GB 16420320 MET 57 MODIFIED RESIDUE SEQADV 2ES7 MSE A 120 GB 16420320 MET 120 MODIFIED RESIDUE SEQADV 2ES7 LEU A 135 GB 16420320 CLONING ARTIFACT SEQADV 2ES7 GLU A 136 GB 16420320 CLONING ARTIFACT SEQADV 2ES7 HIS A 137 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS A 138 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS A 139 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS A 140 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS A 141 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS A 142 GB 16420320 EXPRESSION TAG SEQADV 2ES7 MSE B 1 GB 16420320 MET 1 MODIFIED RESIDUE SEQADV 2ES7 MSE B 57 GB 16420320 MET 57 MODIFIED RESIDUE SEQADV 2ES7 MSE B 120 GB 16420320 MET 120 MODIFIED RESIDUE SEQADV 2ES7 LEU B 135 GB 16420320 CLONING ARTIFACT SEQADV 2ES7 GLU B 136 GB 16420320 CLONING ARTIFACT SEQADV 2ES7 HIS B 137 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS B 138 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS B 139 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS B 140 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS B 141 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS B 142 GB 16420320 EXPRESSION TAG SEQADV 2ES7 MSE C 1 GB 16420320 MET 1 MODIFIED RESIDUE SEQADV 2ES7 MSE C 57 GB 16420320 MET 57 MODIFIED RESIDUE SEQADV 2ES7 MSE C 120 GB 16420320 MET 120 MODIFIED RESIDUE SEQADV 2ES7 LEU C 135 GB 16420320 CLONING ARTIFACT SEQADV 2ES7 GLU C 136 GB 16420320 CLONING ARTIFACT SEQADV 2ES7 HIS C 137 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS C 138 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS C 139 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS C 140 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS C 141 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS C 142 GB 16420320 EXPRESSION TAG SEQADV 2ES7 MSE D 1 GB 16420320 MET 1 MODIFIED RESIDUE SEQADV 2ES7 MSE D 57 GB 16420320 MET 57 MODIFIED RESIDUE SEQADV 2ES7 MSE D 120 GB 16420320 MET 120 MODIFIED RESIDUE SEQADV 2ES7 LEU D 135 GB 16420320 CLONING ARTIFACT SEQADV 2ES7 GLU D 136 GB 16420320 CLONING ARTIFACT SEQADV 2ES7 HIS D 137 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS D 138 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS D 139 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS D 140 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS D 141 GB 16420320 EXPRESSION TAG SEQADV 2ES7 HIS D 142 GB 16420320 EXPRESSION TAG SEQRES 1 A 142 MSE ALA ASN ASP THR PRO PHE SER ALA LEU TRP GLN ARG SEQRES 2 A 142 LEU LEU THR ARG GLY TRP GLN PRO VAL GLU ALA SER THR SEQRES 3 A 142 VAL ASP ASP TRP ILE LYS ARG VAL GLY ASP GLY VAL ILE SEQRES 4 A 142 LEU LEU SER SER ASP PRO ARG ARG THR PRO GLU VAL SER SEQRES 5 A 142 ASP ASN PRO VAL MSE ILE ALA GLU LEU LEU ARG GLU PHE SEQRES 6 A 142 PRO GLN PHE ASP TRP GLN VAL ALA VAL ALA ASP LEU GLU SEQRES 7 A 142 GLN SER GLU ALA ILE GLY ASP ARG PHE ASN VAL ARG ARG SEQRES 8 A 142 PHE PRO ALA THR LEU VAL PHE THR ASP GLY LYS LEU ARG SEQRES 9 A 142 GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU LEU LEU SEQRES 10 A 142 THR LEU MSE ARG SER ILE VAL ASP THR PRO ALA ALA GLN SEQRES 11 A 142 GLU THR VAL GLN LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 142 MSE ALA ASN ASP THR PRO PHE SER ALA LEU TRP GLN ARG SEQRES 2 B 142 LEU LEU THR ARG GLY TRP GLN PRO VAL GLU ALA SER THR SEQRES 3 B 142 VAL ASP ASP TRP ILE LYS ARG VAL GLY ASP GLY VAL ILE SEQRES 4 B 142 LEU LEU SER SER ASP PRO ARG ARG THR PRO GLU VAL SER SEQRES 5 B 142 ASP ASN PRO VAL MSE ILE ALA GLU LEU LEU ARG GLU PHE SEQRES 6 B 142 PRO GLN PHE ASP TRP GLN VAL ALA VAL ALA ASP LEU GLU SEQRES 7 B 142 GLN SER GLU ALA ILE GLY ASP ARG PHE ASN VAL ARG ARG SEQRES 8 B 142 PHE PRO ALA THR LEU VAL PHE THR ASP GLY LYS LEU ARG SEQRES 9 B 142 GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU LEU LEU SEQRES 10 B 142 THR LEU MSE ARG SER ILE VAL ASP THR PRO ALA ALA GLN SEQRES 11 B 142 GLU THR VAL GLN LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 C 142 MSE ALA ASN ASP THR PRO PHE SER ALA LEU TRP GLN ARG SEQRES 2 C 142 LEU LEU THR ARG GLY TRP GLN PRO VAL GLU ALA SER THR SEQRES 3 C 142 VAL ASP ASP TRP ILE LYS ARG VAL GLY ASP GLY VAL ILE SEQRES 4 C 142 LEU LEU SER SER ASP PRO ARG ARG THR PRO GLU VAL SER SEQRES 5 C 142 ASP ASN PRO VAL MSE ILE ALA GLU LEU LEU ARG GLU PHE SEQRES 6 C 142 PRO GLN PHE ASP TRP GLN VAL ALA VAL ALA ASP LEU GLU SEQRES 7 C 142 GLN SER GLU ALA ILE GLY ASP ARG PHE ASN VAL ARG ARG SEQRES 8 C 142 PHE PRO ALA THR LEU VAL PHE THR ASP GLY LYS LEU ARG SEQRES 9 C 142 GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU LEU LEU SEQRES 10 C 142 THR LEU MSE ARG SER ILE VAL ASP THR PRO ALA ALA GLN SEQRES 11 C 142 GLU THR VAL GLN LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 D 142 MSE ALA ASN ASP THR PRO PHE SER ALA LEU TRP GLN ARG SEQRES 2 D 142 LEU LEU THR ARG GLY TRP GLN PRO VAL GLU ALA SER THR SEQRES 3 D 142 VAL ASP ASP TRP ILE LYS ARG VAL GLY ASP GLY VAL ILE SEQRES 4 D 142 LEU LEU SER SER ASP PRO ARG ARG THR PRO GLU VAL SER SEQRES 5 D 142 ASP ASN PRO VAL MSE ILE ALA GLU LEU LEU ARG GLU PHE SEQRES 6 D 142 PRO GLN PHE ASP TRP GLN VAL ALA VAL ALA ASP LEU GLU SEQRES 7 D 142 GLN SER GLU ALA ILE GLY ASP ARG PHE ASN VAL ARG ARG SEQRES 8 D 142 PHE PRO ALA THR LEU VAL PHE THR ASP GLY LYS LEU ARG SEQRES 9 D 142 GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU LEU LEU SEQRES 10 D 142 THR LEU MSE ARG SER ILE VAL ASP THR PRO ALA ALA GLN SEQRES 11 D 142 GLU THR VAL GLN LEU GLU HIS HIS HIS HIS HIS HIS MODRES 2ES7 MSE A 57 MET SELENOMETHIONINE MODRES 2ES7 MSE A 120 MET SELENOMETHIONINE MODRES 2ES7 MSE B 57 MET SELENOMETHIONINE MODRES 2ES7 MSE B 120 MET SELENOMETHIONINE MODRES 2ES7 MSE C 57 MET SELENOMETHIONINE MODRES 2ES7 MSE C 120 MET SELENOMETHIONINE MODRES 2ES7 MSE D 57 MET SELENOMETHIONINE MODRES 2ES7 MSE D 120 MET SELENOMETHIONINE HET MSE A 57 8 HET MSE A 120 8 HET MSE B 57 8 HET MSE B 120 8 HET MSE C 57 8 HET MSE C 120 8 HET MSE D 57 8 HET MSE D 120 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 8(C5 H11 N O2 SE) FORMUL 5 HOH *560(H2 O) HELIX 1 1 PHE A 7 THR A 16 1 10 HELIX 2 2 ASP A 53 GLU A 64 1 12 HELIX 3 3 ASP A 76 ARG A 86 1 11 HELIX 4 4 PRO A 112 ASP A 125 1 14 HELIX 5 5 PHE B 7 THR B 16 1 10 HELIX 6 6 ASP B 53 GLU B 64 1 12 HELIX 7 7 ASP B 76 ARG B 86 1 11 HELIX 8 8 PRO B 112 ASP B 125 1 14 HELIX 9 9 PHE C 7 THR C 16 1 10 HELIX 10 10 ASP C 53 GLU C 64 1 12 HELIX 11 11 ASP C 76 ARG C 86 1 11 HELIX 12 12 PRO C 112 ASP C 125 1 14 HELIX 13 13 PHE D 7 THR D 16 1 10 HELIX 14 14 ASP D 53 GLU D 64 1 12 HELIX 15 15 ASP D 76 ARG D 86 1 11 HELIX 16 16 PRO D 112 ASP D 125 1 14 SHEET 1 A 5 GLN A 20 PRO A 21 0 SHEET 2 A 5 GLN A 71 ALA A 75 1 O VAL A 74 N GLN A 20 SHEET 3 A 5 GLY A 37 LEU A 41 1 N VAL A 38 O GLN A 71 SHEET 4 A 5 ALA A 94 PHE A 98 -1 O LEU A 96 N ILE A 39 SHEET 5 A 5 LEU A 107 SER A 108 -1 O LEU A 107 N THR A 95 SHEET 1 B 5 GLN B 20 PRO B 21 0 SHEET 2 B 5 GLN B 71 ALA B 75 1 O VAL B 74 N GLN B 20 SHEET 3 B 5 ASP B 36 LEU B 41 1 N VAL B 38 O GLN B 71 SHEET 4 B 5 ALA B 94 THR B 99 -1 O PHE B 98 N GLY B 37 SHEET 5 B 5 LEU B 107 SER B 108 -1 O LEU B 107 N THR B 95 SHEET 1 C 5 GLN C 20 PRO C 21 0 SHEET 2 C 5 GLN C 71 ALA C 75 1 O VAL C 74 N GLN C 20 SHEET 3 C 5 ASP C 36 LEU C 41 1 N VAL C 38 O GLN C 71 SHEET 4 C 5 ALA C 94 THR C 99 -1 O PHE C 98 N GLY C 37 SHEET 5 C 5 LEU C 107 SER C 108 -1 O LEU C 107 N THR C 95 SHEET 1 D 5 GLN D 20 PRO D 21 0 SHEET 2 D 5 GLN D 71 ALA D 75 1 O VAL D 74 N GLN D 20 SHEET 3 D 5 ASP D 36 LEU D 41 1 N VAL D 38 O GLN D 71 SHEET 4 D 5 ALA D 94 THR D 99 -1 O ALA D 94 N LEU D 41 SHEET 5 D 5 LEU D 107 SER D 108 -1 O LEU D 107 N THR D 95 LINK C VAL A 56 N MSE A 57 1555 1555 1.33 LINK C MSE A 57 N ILE A 58 1555 1555 1.32 LINK C LEU A 119 N MSE A 120 1555 1555 1.33 LINK C MSE A 120 N ARG A 121 1555 1555 1.32 LINK C VAL B 56 N MSE B 57 1555 1555 1.33 LINK C MSE B 57 N ILE B 58 1555 1555 1.32 LINK C LEU B 119 N MSE B 120 1555 1555 1.33 LINK C MSE B 120 N ARG B 121 1555 1555 1.32 LINK C VAL C 56 N MSE C 57 1555 1555 1.33 LINK C MSE C 57 N ILE C 58 1555 1555 1.33 LINK C LEU C 119 N MSE C 120 1555 1555 1.33 LINK C MSE C 120 N ARG C 121 1555 1555 1.32 LINK C VAL D 56 N MSE D 57 1555 1555 1.33 LINK C MSE D 57 N ILE D 58 1555 1555 1.32 LINK C LEU D 119 N MSE D 120 1555 1555 1.33 LINK C MSE D 120 N ARG D 121 1555 1555 1.32 CISPEP 1 PHE A 92 PRO A 93 0 -0.03 CISPEP 2 PHE B 92 PRO B 93 0 0.35 CISPEP 3 PHE C 92 PRO C 93 0 -0.11 CISPEP 4 PHE D 92 PRO D 93 0 0.31 CRYST1 39.549 71.156 95.004 90.00 90.11 90.00 P 1 21 1 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.025285 0.000000 0.000049 0.00000 SCALE2 0.000000 0.014054 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010526 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2ES7.PDB, MODEL/S 1 2ES7.PDB REMARK PdbStat -- SEQRES 1 A 972 PHE SER ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP SEQRES 2 A 972 GLN PRO VAL GLU ALA SER VAL GLY ASP GLY VAL ILE LEU SEQRES 3 A 972 LEU SER SER ASP PRO ARG ARG SER ASP ASN PRO VAL MSE SEQRES 4 A 972 ILE ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP SEQRES 5 A 972 GLN VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE SEQRES 6 A 972 GLY ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU SEQRES 7 A 972 VAL PHE THR ASP GLY ALA LEU SER GLY ILE HIS PRO TRP SEQRES 8 A 972 ALA GLU LEU LEU THR LEU MSE ARG SER ILE VAL ASP PHE SEQRES 9 A 972 SER ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN SEQRES 10 A 972 PRO VAL GLU ALA SER VAL GLY ASP GLY VAL ILE LEU LEU SEQRES 11 A 972 SER SER ASP PRO ARG ARG SER ASP ASN PRO VAL MSE ILE SEQRES 12 A 972 ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN SEQRES 13 A 972 VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE GLY SEQRES 14 A 972 ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL SEQRES 15 A 972 PHE THR ASP GLY ALA LEU SER GLY ILE HIS PRO TRP ALA SEQRES 16 A 972 GLU LEU LEU THR LEU MSE ARG SER ILE VAL ASP PHE SER SEQRES 17 A 972 ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO SEQRES 18 A 972 VAL GLU ALA SER VAL GLY ASP GLY VAL ILE LEU LEU SER SEQRES 19 A 972 SER ASP PRO ARG ARG SER ASP ASN PRO VAL MSE ILE ALA SEQRES 20 A 972 GLU LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN VAL SEQRES 21 A 972 ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE GLY ASP SEQRES 22 A 972 ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE SEQRES 23 A 972 THR ASP GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU SEQRES 24 A 972 LEU LEU THR LEU MSE ARG SER ILE VAL ASP PHE SER ALA SEQRES 25 A 972 LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO VAL SEQRES 26 A 972 GLU ALA SER VAL GLY ASP GLY VAL ILE LEU LEU SER SER SEQRES 27 A 972 ASP PRO ARG ARG SER ASP ASN PRO VAL MSE ILE ALA GLU SEQRES 28 A 972 LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN VAL ALA SEQRES 29 A 972 VAL ALA ASP LEU GLU GLN SER GLU ALA ILE GLY ASP ARG SEQRES 30 A 972 PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE THR SEQRES 31 A 972 ASP GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU LEU SEQRES 32 A 972 LEU THR LEU MSE ARG SER ILE VAL ASP HOH HOH HOH HOH SEQRES 33 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 34 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 35 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 36 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 37 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 38 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 39 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 40 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 41 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 42 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 43 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 44 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 45 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 46 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 47 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 48 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 49 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 50 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 51 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 52 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 53 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 54 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 55 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 56 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 57 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 58 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 59 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 60 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 61 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 62 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 63 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 64 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 65 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 66 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 67 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 68 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 69 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 70 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 71 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 72 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 73 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 74 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 75 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2ES7.PDB, MODEL/S 1 2ES7.PDB REMARK PdbStat -- SEQRES 1 A 972 PHE SER ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP SEQRES 2 A 972 GLN PRO VAL GLU ALA SER VAL GLY ASP GLY VAL ILE LEU SEQRES 3 A 972 LEU SER SER ASP PRO ARG ARG SER ASP ASN PRO VAL MSE SEQRES 4 A 972 ILE ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP SEQRES 5 A 972 GLN VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE SEQRES 6 A 972 GLY ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU SEQRES 7 A 972 VAL PHE THR ASP GLY ALA LEU SER GLY ILE HIS PRO TRP SEQRES 8 A 972 ALA GLU LEU LEU THR LEU MSE ARG SER ILE VAL ASP PHE SEQRES 9 A 972 SER ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN SEQRES 10 A 972 PRO VAL GLU ALA SER VAL GLY ASP GLY VAL ILE LEU LEU SEQRES 11 A 972 SER SER ASP PRO ARG ARG SER ASP ASN PRO VAL MSE ILE SEQRES 12 A 972 ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN SEQRES 13 A 972 VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE GLY SEQRES 14 A 972 ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL SEQRES 15 A 972 PHE THR ASP GLY ALA LEU SER GLY ILE HIS PRO TRP ALA SEQRES 16 A 972 GLU LEU LEU THR LEU MSE ARG SER ILE VAL ASP PHE SER SEQRES 17 A 972 ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO SEQRES 18 A 972 VAL GLU ALA SER VAL GLY ASP GLY VAL ILE LEU LEU SER SEQRES 19 A 972 SER ASP PRO ARG ARG SER ASP ASN PRO VAL MSE ILE ALA SEQRES 20 A 972 GLU LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN VAL SEQRES 21 A 972 ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE GLY ASP SEQRES 22 A 972 ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE SEQRES 23 A 972 THR ASP GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU SEQRES 24 A 972 LEU LEU THR LEU MSE ARG SER ILE VAL ASP PHE SER ALA SEQRES 25 A 972 LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO VAL SEQRES 26 A 972 GLU ALA SER VAL GLY ASP GLY VAL ILE LEU LEU SER SER SEQRES 27 A 972 ASP PRO ARG ARG SER ASP ASN PRO VAL MSE ILE ALA GLU SEQRES 28 A 972 LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN VAL ALA SEQRES 29 A 972 VAL ALA ASP LEU GLU GLN SER GLU ALA ILE GLY ASP ARG SEQRES 30 A 972 PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE THR SEQRES 31 A 972 ASP GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU LEU SEQRES 32 A 972 LEU THR LEU MSE ARG SER ILE VAL ASP HOH HOH HOH HOH SEQRES 33 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 34 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 35 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 36 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 37 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 38 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 39 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 40 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 41 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 42 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 43 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 44 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 45 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 46 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 47 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 48 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 49 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 50 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 51 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 52 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 53 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 54 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 55 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 56 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 57 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 58 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 59 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 60 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 61 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 62 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 63 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 64 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 65 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 66 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 67 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 68 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 69 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 70 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 71 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 72 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 73 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 74 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 75 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2ES7.PDB, MODEL/S 1 2ES7.PDB REMARK PdbStat -- SEQRES 1 A 972 PHE SER ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP SEQRES 2 A 972 GLN PRO VAL GLU ALA SER VAL GLY ASP GLY VAL ILE LEU SEQRES 3 A 972 LEU SER SER ASP PRO ARG ARG SER ASP ASN PRO VAL MSE SEQRES 4 A 972 ILE ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP SEQRES 5 A 972 GLN VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE SEQRES 6 A 972 GLY ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU SEQRES 7 A 972 VAL PHE THR ASP GLY ALA LEU SER GLY ILE HIS PRO TRP SEQRES 8 A 972 ALA GLU LEU LEU THR LEU MSE ARG SER ILE VAL ASP PHE SEQRES 9 A 972 SER ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN SEQRES 10 A 972 PRO VAL GLU ALA SER VAL GLY ASP GLY VAL ILE LEU LEU SEQRES 11 A 972 SER SER ASP PRO ARG ARG SER ASP ASN PRO VAL MSE ILE SEQRES 12 A 972 ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN SEQRES 13 A 972 VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE GLY SEQRES 14 A 972 ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL SEQRES 15 A 972 PHE THR ASP GLY ALA LEU SER GLY ILE HIS PRO TRP ALA SEQRES 16 A 972 GLU LEU LEU THR LEU MSE ARG SER ILE VAL ASP PHE SER SEQRES 17 A 972 ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO SEQRES 18 A 972 VAL GLU ALA SER VAL GLY ASP GLY VAL ILE LEU LEU SER SEQRES 19 A 972 SER ASP PRO ARG ARG SER ASP ASN PRO VAL MSE ILE ALA SEQRES 20 A 972 GLU LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN VAL SEQRES 21 A 972 ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE GLY ASP SEQRES 22 A 972 ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE SEQRES 23 A 972 THR ASP GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU SEQRES 24 A 972 LEU LEU THR LEU MSE ARG SER ILE VAL ASP PHE SER ALA SEQRES 25 A 972 LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO VAL SEQRES 26 A 972 GLU ALA SER VAL GLY ASP GLY VAL ILE LEU LEU SER SER SEQRES 27 A 972 ASP PRO ARG ARG SER ASP ASN PRO VAL MSE ILE ALA GLU SEQRES 28 A 972 LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN VAL ALA SEQRES 29 A 972 VAL ALA ASP LEU GLU GLN SER GLU ALA ILE GLY ASP ARG SEQRES 30 A 972 PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE THR SEQRES 31 A 972 ASP GLY ALA LEU SER GLY ILE HIS PRO TRP ALA GLU LEU SEQRES 32 A 972 LEU THR LEU MSE ARG SER ILE VAL ASP HOH HOH HOH HOH SEQRES 33 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 34 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 35 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 36 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 37 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 38 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 39 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 40 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 41 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 42 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 43 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 44 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 45 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 46 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 47 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 48 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 49 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 50 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 51 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 52 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 53 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 54 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 55 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 56 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 57 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 58 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 59 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 60 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 61 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 62 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 63 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 64 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 65 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 66 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 67 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 68 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 69 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 70 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 71 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 72 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 73 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 74 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 75 A 972 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 2ES7.pdb ATOM 1 N PHE A 7 11.641 -1.064 1.931 1.00 32.95 N ATOM 2 CA PHE A 7 10.370 -0.839 1.164 1.00 33.31 C ATOM 3 C PHE A 7 9.979 -2.019 0.265 1.00 32.89 C ATOM 4 O PHE A 7 8.792 -2.291 0.036 1.00 31.49 O ATOM 5 CB PHE A 7 10.461 0.409 0.297 1.00 31.77 C ATOM 6 CG PHE A 7 9.176 0.728 -0.377 1.00 32.57 C ATOM 7 CD1 PHE A 7 8.107 1.203 0.353 1.00 31.70 C ATOM 8 CD2 PHE A 7 9.000 0.467 -1.728 1.00 34.93 C ATOM 9 CE1 PHE A 7 6.876 1.409 -0.243 1.00 32.88 C ATOM 10 CE2 PHE A 7 7.767 0.670 -2.341 1.00 35.70 C ATOM 11 CZ PHE A 7 6.703 1.140 -1.595 1.00 34.79 C ATOM 12 N SER A 8 10.992 -2.704 -0.248 1.00 31.79 N ATOM 13 CA SER A 8 10.772 -3.863 -1.084 1.00 32.63 C ATOM 14 C SER A 8 9.899 -4.894 -0.340 1.00 32.90 C ATOM 15 O SER A 8 8.886 -5.380 -0.867 1.00 32.52 O ATOM 16 CB SER A 8 12.122 -4.485 -1.474 1.00 33.09 C ATOM 17 OG SER A 8 11.953 -5.701 -2.201 1.00 34.70 O ATOM 18 N ALA A 9 10.289 -5.223 0.892 1.00 31.31 N ATOM 19 CA ALA A 9 9.534 -6.184 1.689 1.00 28.98 C ATOM 20 C ALA A 9 8.125 -5.688 1.967 1.00 27.43 C ATOM 21 O ALA A 9 7.162 -6.456 1.916 1.00 26.87 O ATOM 22 CB ALA A 9 10.244 -6.446 2.989 1.00 28.62 C ATOM 23 N LEU A 10 8.009 -4.397 2.258 1.00 25.41 N ATOM 24 CA LEU A 10 6.721 -3.794 2.557 1.00 23.08 C ATOM 25 C LEU A 10 5.824 -3.858 1.343 1.00 22.99 C ATOM 26 O LEU A 10 4.662 -4.250 1.439 1.00 20.93 O ATOM 27 CB LEU A 10 6.918 -2.348 3.000 1.00 21.12 C ATOM 28 CG LEU A 10 5.683 -1.449 3.125 1.00 21.10 C ATOM 29 CD1 LEU A 10 4.599 -2.071 4.008 1.00 19.31 C ATOM 30 CD2 LEU A 10 6.135 -0.120 3.666 1.00 18.82 C ATOM 31 N TRP A 11 6.370 -3.471 0.196 1.00 23.47 N ATOM 32 CA TRP A 11 5.612 -3.503 -1.049 1.00 24.42 C ATOM 33 C TRP A 11 5.046 -4.908 -1.309 1.00 24.15 C ATOM 34 O TRP A 11 3.861 -5.053 -1.586 1.00 24.32 O ATOM 35 CB TRP A 11 6.512 -3.073 -2.213 1.00 25.46 C ATOM 36 CG TRP A 11 5.812 -2.930 -3.526 1.00 25.74 C ATOM 37 CD1 TRP A 11 6.102 -3.595 -4.689 1.00 26.20 C ATOM 38 CD2 TRP A 11 4.728 -2.048 -3.830 1.00 25.86 C ATOM 39 NE1 TRP A 11 5.266 -3.182 -5.699 1.00 25.42 N ATOM 40 CE2 TRP A 11 4.413 -2.232 -5.198 1.00 27.34 C ATOM 41 CE3 TRP A 11 3.993 -1.119 -3.084 1.00 24.90 C ATOM 42 CZ2 TRP A 11 3.392 -1.519 -5.831 1.00 27.26 C ATOM 43 CZ3 TRP A 11 2.981 -0.412 -3.710 1.00 25.10 C ATOM 44 CH2 TRP A 11 2.688 -0.613 -5.070 1.00 27.17 C ATOM 45 N GLN A 12 5.887 -5.941 -1.219 1.00 23.62 N ATOM 46 CA GLN A 12 5.422 -7.305 -1.452 1.00 22.80 C ATOM 47 C GLN A 12 4.370 -7.760 -0.434 1.00 24.47 C ATOM 48 O GLN A 12 3.489 -8.560 -0.753 1.00 24.45 O ATOM 49 CB GLN A 12 6.592 -8.295 -1.452 1.00 20.88 C ATOM 50 CG GLN A 12 7.603 -8.152 -2.617 1.00 20.21 C ATOM 51 CD GLN A 12 6.963 -8.149 -4.003 1.00 16.20 C ATOM 52 OE1 GLN A 12 6.239 -9.073 -4.374 1.00 13.81 O ATOM 53 NE2 GLN A 12 7.249 -7.109 -4.775 1.00 11.19 N ATOM 54 N ARG A 13 4.469 -7.262 0.796 1.00 25.82 N ATOM 55 CA ARG A 13 3.511 -7.604 1.843 1.00 25.73 C ATOM 56 C ARG A 13 2.153 -6.992 1.519 1.00 25.25 C ATOM 57 O ARG A 13 1.119 -7.578 1.815 1.00 24.03 O ATOM 58 CB ARG A 13 3.994 -7.072 3.192 1.00 28.07 C ATOM 59 CG ARG A 13 5.017 -7.946 3.904 1.00 31.24 C ATOM 60 CD ARG A 13 5.624 -7.217 5.102 1.00 32.52 C ATOM 61 NE ARG A 13 4.626 -6.589 5.968 1.00 33.01 N ATOM 62 CZ ARG A 13 4.889 -5.551 6.758 1.00 34.31 C ATOM 63 NH1 ARG A 13 6.114 -5.037 6.777 1.00 33.03 N ATOM 64 NH2 ARG A 13 3.941 -5.027 7.530 1.00 32.86 N ATOM 65 N LEU A 14 2.164 -5.807 0.915 1.00 23.61 N ATOM 66 CA LEU A 14 0.936 -5.125 0.551 1.00 22.95 C ATOM 67 C LEU A 14 0.250 -5.821 -0.605 1.00 23.77 C ATOM 68 O LEU A 14 -0.977 -5.894 -0.653 1.00 23.05 O ATOM 69 CB LEU A 14 1.235 -3.684 0.171 1.00 22.81 C ATOM 70 CG LEU A 14 1.706 -2.823 1.335 1.00 23.84 C ATOM 71 CD1 LEU A 14 2.396 -1.579 0.808 1.00 23.39 C ATOM 72 CD2 LEU A 14 0.516 -2.471 2.218 1.00 21.75 C ATOM 73 N LEU A 15 1.046 -6.325 -1.544 1.00 23.69 N ATOM 74 CA LEU A 15 0.497 -7.023 -2.697 1.00 24.16 C ATOM 75 C LEU A 15 0.058 -8.434 -2.323 1.00 24.29 C ATOM 76 O LEU A 15 -0.909 -8.956 -2.871 1.00 24.31 O ATOM 77 CB LEU A 15 1.522 -7.072 -3.820 1.00 23.47 C ATOM 78 CG LEU A 15 1.789 -5.725 -4.465 1.00 23.46 C ATOM 79 CD1 LEU A 15 2.813 -5.905 -5.572 1.00 23.31 C ATOM 80 CD2 LEU A 15 0.495 -5.146 -5.003 1.00 22.24 C ATOM 81 N THR A 16 0.773 -9.050 -1.388 1.00 23.97 N ATOM 82 CA THR A 16 0.411 -10.383 -0.949 1.00 22.94 C ATOM 83 C THR A 16 -0.932 -10.310 -0.233 1.00 23.80 C ATOM 84 O THR A 16 -1.550 -11.336 0.024 1.00 24.24 O ATOM 85 CB THR A 16 1.454 -10.967 -0.004 1.00 20.79 C ATOM 86 OG1 THR A 16 2.723 -11.014 -0.659 1.00 20.79 O ATOM 87 CG2 THR A 16 1.056 -12.352 0.411 1.00 19.02 C ATOM 88 N ARG A 17 -1.373 -9.090 0.086 1.00 24.78 N ATOM 89 CA ARG A 17 -2.656 -8.863 0.744 1.00 23.47 C ATOM 90 C ARG A 17 -3.734 -8.813 -0.324 1.00 24.14 C ATOM 91 O ARG A 17 -4.921 -8.817 -0.016 1.00 23.71 O ATOM 92 CB ARG A 17 -2.670 -7.535 1.501 1.00 24.19 C ATOM 93 CG ARG A 17 -1.971 -7.518 2.840 1.00 26.45 C ATOM 94 CD ARG A 17 -2.058 -6.124 3.481 1.00 28.62 C ATOM 95 NE ARG A 17 -1.411 -6.062 4.791 1.00 31.30 N ATOM 96 CZ ARG A 17 -2.027 -6.242 5.957 1.00 32.65 C ATOM 97 NH1 ARG A 17 -3.333 -6.495 5.994 1.00 31.26 N ATOM 98 NH2 ARG A 17 -1.327 -6.172 7.089 1.00 33.17 N ATOM 99 N GLY A 18 -3.318 -8.737 -1.585 1.00 25.73 N ATOM 100 CA GLY A 18 -4.280 -8.701 -2.673 1.00 27.11 C ATOM 101 C GLY A 18 -4.610 -7.299 -3.123 1.00 28.44 C ATOM 102 O GLY A 18 -5.254 -7.110 -4.147 1.00 29.10 O ATOM 103 N TRP A 19 -4.167 -6.317 -2.346 1.00 30.77 N ATOM 104 CA TRP A 19 -4.396 -4.905 -2.644 1.00 32.75 C ATOM 105 C TRP A 19 -3.781 -4.508 -3.983 1.00 33.68 C ATOM 106 O TRP A 19 -2.614 -4.804 -4.249 1.00 34.08 O ATOM 107 CB TRP A 19 -3.803 -4.058 -1.526 1.00 33.22 C ATOM 108 CG TRP A 19 -4.450 -4.311 -0.206 1.00 33.67 C ATOM 109 CD1 TRP A 19 -5.643 -4.916 0.007 1.00 33.46 C ATOM 110 CD2 TRP A 19 -3.986 -3.866 1.080 1.00 34.23 C ATOM 111 NE1 TRP A 19 -5.961 -4.872 1.343 1.00 34.37 N ATOM 112 CE2 TRP A 19 -4.960 -4.231 2.021 1.00 33.35 C ATOM 113 CE3 TRP A 19 -2.841 -3.186 1.524 1.00 33.93 C ATOM 114 CZ2 TRP A 19 -4.830 -3.942 3.378 1.00 33.87 C ATOM 115 CZ3 TRP A 19 -2.718 -2.898 2.877 1.00 33.00 C ATOM 116 CH2 TRP A 19 -3.704 -3.276 3.783 1.00 32.63 C ATOM 117 N GLN A 20 -4.554 -3.817 -4.814 1.00 32.78 N ATOM 118 CA GLN A 20 -4.072 -3.427 -6.134 1.00 31.49 C ATOM 119 C GLN A 20 -3.251 -2.151 -6.197 1.00 29.41 C ATOM 120 O GLN A 20 -3.559 -1.165 -5.525 1.00 28.47 O ATOM 121 CB GLN A 20 -5.249 -3.314 -7.106 1.00 33.35 C ATOM 122 CG GLN A 20 -6.038 -4.608 -7.276 1.00 37.35 C ATOM 123 CD GLN A 20 -5.149 -5.792 -7.622 1.00 39.14 C ATOM 124 OE1 GLN A 20 -4.309 -5.710 -8.521 1.00 40.89 O ATOM 125 NE2 GLN A 20 -5.335 -6.903 -6.911 1.00 38.55 N ATOM 126 N PRO A 21 -2.183 -2.162 -7.012 1.00 26.81 N ATOM 127 CA PRO A 21 -1.271 -1.032 -7.225 1.00 25.91 C ATOM 128 C PRO A 21 -1.917 0.015 -8.139 1.00 25.96 C ATOM 129 O PRO A 21 -2.630 -0.343 -9.078 1.00 26.93 O ATOM 130 CB PRO A 21 -0.073 -1.675 -7.922 1.00 24.32 C ATOM 131 CG PRO A 21 -0.173 -3.114 -7.560 1.00 23.06 C ATOM 132 CD PRO A 21 -1.637 -3.374 -7.634 1.00 24.00 C ATOM 133 N VAL A 22 -1.682 1.295 -7.870 1.00 25.79 N ATOM 134 CA VAL A 22 -2.226 2.343 -8.725 1.00 25.26 C ATOM 135 C VAL A 22 -1.178 3.372 -9.049 1.00 26.22 C ATOM 136 O VAL A 22 -0.533 3.911 -8.156 1.00 27.68 O ATOM 137 CB VAL A 22 -3.414 3.114 -8.098 1.00 25.03 C ATOM 138 CG1 VAL A 22 -4.625 2.196 -7.971 1.00 21.53 C ATOM 139 CG2 VAL A 22 -2.997 3.719 -6.747 1.00 23.08 C ATOM 140 N GLU A 23 -1.002 3.632 -10.335 1.00 27.16 N ATOM 141 CA GLU A 23 -0.065 4.645 -10.789 1.00 28.56 C ATOM 142 C GLU A 23 -0.847 5.937 -10.706 1.00 28.90 C ATOM 143 O GLU A 23 -1.970 5.944 -10.208 1.00 30.86 O ATOM 144 CB GLU A 23 0.322 4.392 -12.238 1.00 30.13 C ATOM 145 CG GLU A 23 1.485 3.453 -12.450 1.00 33.74 C ATOM 146 CD GLU A 23 1.168 2.020 -12.092 1.00 35.82 C ATOM 147 OE1 GLU A 23 0.193 1.472 -12.650 1.00 36.79 O ATOM 148 OE2 GLU A 23 1.904 1.434 -11.259 1.00 37.88 O ATOM 149 N ALA A 24 -0.284 7.032 -11.194 1.00 29.36 N ATOM 150 CA ALA A 24 -1.008 8.302 -11.164 1.00 30.77 C ATOM 151 C ALA A 24 -2.210 8.179 -12.104 1.00 31.65 C ATOM 152 O ALA A 24 -2.614 9.151 -12.729 1.00 31.75 O ATOM 153 CB ALA A 24 -0.087 9.442 -11.609 1.00 30.01 C ATOM 154 N SER A 25 -2.770 6.969 -12.193 1.00 31.83 N ATOM 155 CA SER A 25 -3.918 6.699 -13.053 1.00 30.97 C ATOM 156 C SER A 25 -4.765 5.510 -12.554 1.00 30.74 C ATOM 157 O SER A 25 -5.484 5.590 -11.551 1.00 27.72 O ATOM 158 CB SER A 25 -3.421 6.418 -14.470 1.00 29.56 C ATOM 159 OG SER A 25 -2.386 7.326 -14.795 1.00 26.32 O ATOM 160 N VAL A 34 -14.590 4.590 -9.402 1.00 44.84 N ATOM 161 CA VAL A 34 -13.880 3.684 -8.512 1.00 44.53 C ATOM 162 C VAL A 34 -14.819 2.886 -7.583 1.00 45.25 C ATOM 163 O VAL A 34 -14.855 1.651 -7.638 1.00 46.66 O ATOM 164 CB VAL A 34 -12.777 4.450 -7.686 1.00 44.01 C ATOM 165 CG1 VAL A 34 -11.465 4.436 -8.456 1.00 42.51 C ATOM 166 CG2 VAL A 34 -13.181 5.907 -7.434 1.00 43.29 C ATOM 167 N GLY A 35 -15.590 3.581 -6.753 1.00 43.77 N ATOM 168 CA GLY A 35 -16.497 2.898 -5.846 1.00 41.81 C ATOM 169 C GLY A 35 -16.094 3.129 -4.405 1.00 41.46 C ATOM 170 O GLY A 35 -15.636 4.215 -4.053 1.00 40.11 O ATOM 171 N ASP A 36 -16.266 2.108 -3.568 1.00 41.56 N ATOM 172 CA ASP A 36 -15.898 2.187 -2.157 1.00 40.16 C ATOM 173 C ASP A 36 -14.519 1.573 -1.965 1.00 38.57 C ATOM 174 O ASP A 36 -14.365 0.351 -2.001 1.00 38.76 O ATOM 175 CB ASP A 36 -16.904 1.424 -1.302 1.00 42.32 C ATOM 176 CG ASP A 36 -18.302 1.993 -1.399 1.00 44.34 C ATOM 177 OD1 ASP A 36 -18.443 3.227 -1.302 1.00 46.10 O ATOM 178 OD2 ASP A 36 -19.260 1.209 -1.560 1.00 45.80 O ATOM 179 N GLY A 37 -13.520 2.425 -1.761 1.00 36.61 N ATOM 180 CA GLY A 37 -12.163 1.944 -1.571 1.00 33.81 C ATOM 181 C GLY A 37 -11.249 2.978 -0.935 1.00 31.97 C ATOM 182 O GLY A 37 -11.568 4.167 -0.885 1.00 31.17 O ATOM 183 N VAL A 38 -10.095 2.532 -0.458 1.00 29.23 N ATOM 184 CA VAL A 38 -9.167 3.440 0.184 1.00 27.13 C ATOM 185 C VAL A 38 -7.774 3.266 -0.440 1.00 26.20 C ATOM 186 O VAL A 38 -7.417 2.162 -0.854 1.00 25.28 O ATOM 187 CB VAL A 38 -9.176 3.152 1.699 1.00 25.52 C ATOM 188 CG1 VAL A 38 -8.105 2.125 2.044 1.00 25.57 C ATOM 189 CG2 VAL A 38 -9.037 4.441 2.473 1.00 24.49 C ATOM 190 N ILE A 39 -6.999 4.349 -0.527 1.00 25.18 N ATOM 191 CA ILE A 39 -5.658 4.292 -1.136 1.00 24.23 C ATOM 192 C ILE A 39 -4.553 4.612 -0.138 1.00 22.67 C ATOM 193 O ILE A 39 -4.562 5.679 0.473 1.00 22.31 O ATOM 194 CB ILE A 39 -5.494 5.321 -2.315 1.00 25.32 C ATOM 195 CG1 ILE A 39 -6.545 5.111 -3.406 1.00 24.49 C ATOM 196 CG2 ILE A 39 -4.131 5.160 -2.957 1.00 24.92 C ATOM 197 CD1 ILE A 39 -6.371 6.062 -4.556 1.00 22.34 C ATOM 198 N LEU A 40 -3.592 3.707 0.006 1.00 22.39 N ATOM 199 CA LEU A 40 -2.478 3.919 0.931 1.00 22.19 C ATOM 200 C LEU A 40 -1.225 4.424 0.227 1.00 21.63 C ATOM 201 O LEU A 40 -0.706 3.770 -0.672 1.00 21.66 O ATOM 202 CB LEU A 40 -2.141 2.615 1.653 1.00 22.53 C ATOM 203 CG LEU A 40 -3.328 1.816 2.196 1.00 22.53 C ATOM 204 CD1 LEU A 40 -2.767 0.643 2.953 1.00 23.36 C ATOM 205 CD2 LEU A 40 -4.213 2.675 3.111 1.00 22.08 C ATOM 206 N LEU A 41 -0.747 5.587 0.651 1.00 22.21 N ATOM 207 CA LEU A 41 0.451 6.194 0.089 1.00 22.70 C ATOM 208 C LEU A 41 1.595 5.997 1.086 1.00 23.20 C ATOM 209 O LEU A 41 1.455 6.314 2.267 1.00 22.66 O ATOM 210 CB LEU A 41 0.243 7.695 -0.129 1.00 23.43 C ATOM 211 CG LEU A 41 -0.957 8.175 -0.952 1.00 23.05 C ATOM 212 CD1 LEU A 41 -1.023 9.690 -0.906 1.00 22.63 C ATOM 213 CD2 LEU A 41 -0.831 7.696 -2.381 1.00 24.39 C ATOM 214 N SER A 42 2.723 5.497 0.594 1.00 23.24 N ATOM 215 CA SER A 42 3.885 5.232 1.418 1.00 24.18 C ATOM 216 C SER A 42 5.095 6.110 1.175 1.00 27.39 C ATOM 217 O SER A 42 5.330 6.605 0.064 1.00 28.98 O ATOM 218 CB SER A 42 4.332 3.795 1.235 1.00 20.36 C ATOM 219 OG SER A 42 3.458 2.918 1.895 1.00 22.60 O ATOM 220 N SER A 43 5.877 6.281 2.233 1.00 28.53 N ATOM 221 CA SER A 43 7.101 7.049 2.159 1.00 30.75 C ATOM 222 C SER A 43 8.183 6.049 2.454 1.00 32.87 C ATOM 223 O SER A 43 7.894 5.000 3.002 1.00 32.68 O ATOM 224 CB SER A 43 7.120 8.129 3.209 1.00 31.49 C ATOM 225 OG SER A 43 8.350 8.813 3.146 1.00 35.16 O ATOM 226 N ASP A 44 9.424 6.358 2.098 1.00 36.93 N ATOM 227 CA ASP A 44 10.519 5.421 2.335 1.00 39.31 C ATOM 228 C ASP A 44 10.552 4.955 3.785 1.00 41.99 C ATOM 229 O ASP A 44 10.717 5.755 4.703 1.00 41.95 O ATOM 230 CB ASP A 44 11.856 6.048 1.947 1.00 38.33 C ATOM 231 CG ASP A 44 13.007 5.076 2.070 1.00 39.09 C ATOM 232 OD1 ASP A 44 12.769 3.857 1.974 1.00 39.22 O ATOM 233 OD2 ASP A 44 14.157 5.520 2.248 1.00 41.44 O ATOM 234 N PRO A 45 10.381 3.639 4.002 1.00 46.59 N ATOM 235 CA PRO A 45 10.371 2.952 5.299 1.00 47.92 C ATOM 236 C PRO A 45 11.469 3.356 6.290 1.00 49.98 C ATOM 237 O PRO A 45 11.332 3.133 7.492 1.00 51.31 O ATOM 238 CB PRO A 45 10.475 1.483 4.901 1.00 48.49 C ATOM 239 CG PRO A 45 9.649 1.440 3.658 1.00 48.02 C ATOM 240 CD PRO A 45 10.130 2.676 2.911 1.00 47.05 C ATOM 241 N ARG A 46 12.561 3.932 5.801 1.00 52.13 N ATOM 242 CA ARG A 46 13.636 4.344 6.696 1.00 54.44 C ATOM 243 C ARG A 46 13.174 5.551 7.515 1.00 56.18 C ATOM 244 O ARG A 46 13.906 6.520 7.730 1.00 55.68 O ATOM 245 CB ARG A 46 14.880 4.659 5.881 1.00 54.00 C ATOM 246 CG ARG A 46 15.341 3.468 5.074 1.00 53.04 C ATOM 247 CD ARG A 46 16.031 3.907 3.803 1.00 53.46 C ATOM 248 NE ARG A 46 16.305 2.783 2.920 1.00 53.90 N ATOM 249 CZ ARG A 46 16.635 2.908 1.640 1.00 53.70 C ATOM 250 NH1 ARG A 46 16.729 4.111 1.098 1.00 53.67 N ATOM 251 NH2 ARG A 46 16.881 1.832 0.906 1.00 53.76 N ATOM 252 N ARG A 47 11.928 5.446 7.968 1.00 58.65 N ATOM 253 CA ARG A 47 11.251 6.449 8.772 1.00 60.49 C ATOM 254 C ARG A 47 9.797 5.995 8.936 1.00 60.79 C ATOM 255 O ARG A 47 9.058 5.845 7.960 1.00 59.53 O ATOM 256 CB ARG A 47 11.295 7.809 8.084 1.00 61.97 C ATOM 257 CG ARG A 47 10.670 8.907 8.912 1.00 65.73 C ATOM 258 CD ARG A 47 11.437 9.109 10.209 1.00 69.01 C ATOM 259 NE ARG A 47 10.680 9.898 11.184 1.00 70.99 N ATOM 260 CZ ARG A 47 9.618 9.452 11.844 1.00 71.40 C ATOM 261 NH1 ARG A 47 9.177 8.217 11.643 1.00 71.85 N ATOM 262 NH2 ARG A 47 9.002 10.237 12.712 1.00 72.05 N ATOM 263 N SER A 52 5.049 2.264 7.328 1.00 40.82 N ATOM 264 CA SER A 52 5.257 0.816 7.377 1.00 42.57 C ATOM 265 C SER A 52 4.366 0.110 8.403 1.00 42.44 C ATOM 266 O SER A 52 4.285 -1.115 8.417 1.00 41.49 O ATOM 267 CB SER A 52 6.723 0.491 7.666 1.00 42.63 C ATOM 268 OG SER A 52 6.915 -0.908 7.645 1.00 43.66 O ATOM 269 N ASP A 53 3.720 0.888 9.267 1.00 42.31 N ATOM 270 CA ASP A 53 2.798 0.344 10.256 1.00 42.26 C ATOM 271 C ASP A 53 1.396 0.776 9.823 1.00 40.52 C ATOM 272 O ASP A 53 0.406 0.407 10.433 1.00 40.46 O ATOM 273 CB ASP A 53 3.089 0.894 11.660 1.00 44.58 C ATOM 274 CG ASP A 53 4.398 0.365 12.252 1.00 47.60 C ATOM 275 OD1 ASP A 53 4.786 0.831 13.349 1.00 49.66 O ATOM 276 OD2 ASP A 53 5.038 -0.514 11.630 1.00 48.18 O ATOM 277 N ASN A 54 1.323 1.559 8.753 1.00 38.24 N ATOM 278 CA ASN A 54 0.052 2.052 8.242 1.00 35.96 C ATOM 279 C ASN A 54 -0.912 0.953 7.773 1.00 35.05 C ATOM 280 O ASN A 54 -2.124 1.076 7.942 1.00 34.85 O ATOM 281 CB ASN A 54 0.308 3.047 7.106 1.00 36.00 C ATOM 282 CG ASN A 54 -0.971 3.745 6.631 1.00 38.13 C ATOM 283 OD1 ASN A 54 -1.742 4.281 7.447 1.00 38.33 O ATOM 284 ND2 ASN A 54 -1.197 3.754 5.308 1.00 38.04 N ATOM 285 N PRO A 55 -0.391 -0.125 7.161 1.00 33.77 N ATOM 286 CA PRO A 55 -1.266 -1.207 6.698 1.00 31.98 C ATOM 287 C PRO A 55 -2.138 -1.820 7.791 1.00 32.19 C ATOM 288 O PRO A 55 -3.361 -1.801 7.692 1.00 32.32 O ATOM 289 CB PRO A 55 -0.283 -2.219 6.135 1.00 31.49 C ATOM 290 CG PRO A 55 0.805 -1.365 5.617 1.00 31.32 C ATOM 291 CD PRO A 55 0.995 -0.356 6.712 1.00 32.11 C ATOM 292 N VAL A 56 -1.513 -2.371 8.826 1.00 32.45 N ATOM 293 CA VAL A 56 -2.258 -3.006 9.920 1.00 31.46 C ATOM 294 C VAL A 56 -3.350 -2.141 10.499 1.00 31.99 C ATOM 295 O VAL A 56 -4.442 -2.635 10.741 1.00 32.07 O ATOM 296 CB VAL A 56 -1.344 -3.417 11.103 1.00 31.03 C ATOM 297 CG1 VAL A 56 -0.271 -4.417 10.638 1.00 31.38 C ATOM 298 CG2 VAL A 56 -0.690 -2.193 11.688 1.00 28.85 C HETATM 299 N MSE A 57 -3.051 -0.864 10.733 1.00 33.27 N HETATM 300 CA MSE A 57 -4.030 0.062 11.310 1.00 34.93 C HETATM 301 C MSE A 57 -5.205 0.291 10.374 1.00 33.56 C HETATM 302 O MSE A 57 -6.378 0.294 10.781 1.00 30.97 O HETATM 303 CB MSE A 57 -3.381 1.414 11.648 1.00 39.93 C HETATM 304 CG MSE A 57 -2.408 1.358 12.827 1.00 46.81 C HETATM 305 SE MSE A 57 -1.782 3.082 13.457 1.00 56.95 HETATM 306 CE MSE A 57 -0.245 3.317 12.291 1.00 54.93 C ATOM 307 N ILE A 58 -4.883 0.511 9.113 1.00 31.82 N ATOM 308 CA ILE A 58 -5.918 0.715 8.131 1.00 30.41 C ATOM 309 C ILE A 58 -6.765 -0.554 8.125 1.00 30.48 C ATOM 310 O ILE A 58 -7.992 -0.491 8.241 1.00 30.93 O ATOM 311 CB ILE A 58 -5.309 0.949 6.750 1.00 30.62 C ATOM 312 CG1 ILE A 58 -4.395 2.185 6.797 1.00 30.57 C ATOM 313 CG2 ILE A 58 -6.409 1.094 5.718 1.00 31.13 C ATOM 314 CD1 ILE A 58 -5.078 3.453 7.308 1.00 30.96 C ATOM 315 N ALA A 59 -6.103 -1.707 8.006 1.00 30.44 N ATOM 316 CA ALA A 59 -6.790 -2.999 8.004 1.00 29.50 C ATOM 317 C ALA A 59 -7.774 -3.024 9.152 1.00 30.27 C ATOM 318 O ALA A 59 -8.921 -3.449 9.002 1.00 31.37 O ATOM 319 CB ALA A 59 -5.790 -4.123 8.165 1.00 30.13 C ATOM 320 N GLU A 60 -7.324 -2.550 10.308 1.00 30.06 N ATOM 321 CA GLU A 60 -8.182 -2.509 11.481 1.00 28.97 C ATOM 322 C GLU A 60 -9.331 -1.520 11.280 1.00 29.00 C ATOM 323 O GLU A 60 -10.460 -1.819 11.642 1.00 29.34 O ATOM 324 CB GLU A 60 -7.365 -2.115 12.716 1.00 26.77 C ATOM 325 CG GLU A 60 -7.425 -3.126 13.843 1.00 27.01 C ATOM 326 CD GLU A 60 -8.848 -3.430 14.308 1.00 26.47 C ATOM 327 OE1 GLU A 60 -9.166 -4.626 14.488 1.00 26.55 O ATOM 328 OE2 GLU A 60 -9.646 -2.486 14.489 1.00 24.60 O ATOM 329 N LEU A 61 -9.045 -0.353 10.701 1.00 28.70 N ATOM 330 CA LEU A 61 -10.082 0.660 10.504 1.00 29.91 C ATOM 331 C LEU A 61 -11.260 0.162 9.677 1.00 31.64 C ATOM 332 O LEU A 61 -12.430 0.282 10.074 1.00 30.47 O ATOM 333 CB LEU A 61 -9.511 1.907 9.829 1.00 29.01 C ATOM 334 CG LEU A 61 -9.418 3.184 10.673 1.00 26.70 C ATOM 335 CD1 LEU A 61 -9.056 4.336 9.761 1.00 27.47 C ATOM 336 CD2 LEU A 61 -10.706 3.464 11.378 1.00 26.69 C ATOM 337 N LEU A 62 -10.931 -0.379 8.510 1.00 32.69 N ATOM 338 CA LEU A 62 -11.915 -0.905 7.589 1.00 33.13 C ATOM 339 C LEU A 62 -12.756 -1.924 8.340 1.00 33.39 C ATOM 340 O LEU A 62 -13.984 -1.946 8.239 1.00 33.34 O ATOM 341 CB LEU A 62 -11.209 -1.565 6.399 1.00 33.58 C ATOM 342 CG LEU A 62 -10.246 -0.724 5.559 1.00 32.63 C ATOM 343 CD1 LEU A 62 -9.807 -1.526 4.359 1.00 32.27 C ATOM 344 CD2 LEU A 62 -10.921 0.569 5.114 1.00 32.90 C ATOM 345 N ARG A 63 -12.079 -2.769 9.103 1.00 34.77 N ATOM 346 CA ARG A 63 -12.747 -3.793 9.895 1.00 37.24 C ATOM 347 C ARG A 63 -13.800 -3.139 10.804 1.00 38.08 C ATOM 348 O ARG A 63 -14.905 -3.665 10.967 1.00 39.23 O ATOM 349 CB ARG A 63 -11.698 -4.545 10.733 1.00 38.98 C ATOM 350 CG ARG A 63 -11.901 -6.061 10.849 1.00 39.81 C ATOM 351 CD ARG A 63 -10.685 -6.727 11.495 1.00 39.82 C ATOM 352 NE ARG A 63 -9.581 -6.943 10.549 1.00 42.16 N ATOM 353 CZ ARG A 63 -8.334 -6.494 10.718 1.00 42.36 C ATOM 354 NH1 ARG A 63 -8.022 -5.790 11.797 1.00 42.81 N ATOM 355 NH2 ARG A 63 -7.390 -6.765 9.821 1.00 40.90 N ATOM 356 N GLU A 64 -13.469 -1.978 11.370 1.00 38.33 N ATOM 357 CA GLU A 64 -14.399 -1.289 12.267 1.00 38.37 C ATOM 358 C GLU A 64 -15.471 -0.513 11.507 1.00 37.97 C ATOM 359 O GLU A 64 -16.270 0.209 12.101 1.00 36.31 O ATOM 360 CB GLU A 64 -13.634 -0.362 13.227 1.00 38.12 C ATOM 361 CG GLU A 64 -12.302 -0.957 13.718 1.00 39.81 C ATOM 362 CD GLU A 64 -12.012 -0.753 15.205 1.00 40.10 C ATOM 363 OE1 GLU A 64 -12.275 0.342 15.747 1.00 41.39 O ATOM 364 OE2 GLU A 64 -11.486 -1.695 15.837 1.00 40.10 O ATOM 365 N PHE A 65 -15.480 -0.660 10.186 1.00 38.63 N ATOM 366 CA PHE A 65 -16.475 0.004 9.362 1.00 38.45 C ATOM 367 C PHE A 65 -17.032 -0.943 8.320 1.00 39.97 C ATOM 368 O PHE A 65 -16.760 -0.806 7.142 1.00 41.18 O ATOM 369 CB PHE A 65 -15.887 1.228 8.684 1.00 37.03 C ATOM 370 CG PHE A 65 -15.794 2.412 9.576 1.00 36.44 C ATOM 371 CD1 PHE A 65 -14.827 2.469 10.582 1.00 36.94 C ATOM 372 CD2 PHE A 65 -16.694 3.460 9.436 1.00 34.00 C ATOM 373 CE1 PHE A 65 -14.758 3.557 11.445 1.00 36.11 C ATOM 374 CE2 PHE A 65 -16.643 4.547 10.282 1.00 35.13 C ATOM 375 CZ PHE A 65 -15.670 4.602 11.299 1.00 36.36 C ATOM 376 N PRO A 66 -17.832 -1.927 8.756 1.00 41.86 N ATOM 377 CA PRO A 66 -18.455 -2.929 7.887 1.00 42.66 C ATOM 378 C PRO A 66 -19.467 -2.384 6.900 1.00 42.43 C ATOM 379 O PRO A 66 -19.919 -3.111 6.024 1.00 43.56 O ATOM 380 CB PRO A 66 -19.118 -3.881 8.876 1.00 42.44 C ATOM 381 CG PRO A 66 -18.246 -3.781 10.077 1.00 43.30 C ATOM 382 CD PRO A 66 -18.015 -2.298 10.171 1.00 43.20 C ATOM 383 N GLN A 67 -19.837 -1.118 7.040 1.00 42.45 N ATOM 384 CA GLN A 67 -20.823 -0.550 6.136 1.00 42.33 C ATOM 385 C GLN A 67 -20.444 -0.735 4.673 1.00 42.79 C ATOM 386 O GLN A 67 -21.177 -1.375 3.920 1.00 44.15 O ATOM 387 CB GLN A 67 -21.032 0.927 6.427 1.00 40.99 C ATOM 388 CG GLN A 67 -21.306 1.197 7.864 1.00 41.31 C ATOM 389 CD GLN A 67 -20.046 1.505 8.627 1.00 41.81 C ATOM 390 OE1 GLN A 67 -19.197 0.645 8.821 1.00 42.49 O ATOM 391 NE2 GLN A 67 -19.913 2.750 9.062 1.00 43.35 N ATOM 392 N PHE A 68 -19.296 -0.199 4.272 1.00 43.14 N ATOM 393 CA PHE A 68 -18.848 -0.314 2.884 1.00 43.22 C ATOM 394 C PHE A 68 -18.014 -1.559 2.661 1.00 42.91 C ATOM 395 O PHE A 68 -17.410 -2.087 3.595 1.00 43.71 O ATOM 396 CB PHE A 68 -18.010 0.899 2.495 1.00 42.71 C ATOM 397 CG PHE A 68 -18.507 2.169 3.076 1.00 42.37 C ATOM 398 CD1 PHE A 68 -18.290 2.463 4.412 1.00 41.82 C ATOM 399 CD2 PHE A 68 -19.247 3.048 2.308 1.00 42.96 C ATOM 400 CE1 PHE A 68 -18.801 3.620 4.975 1.00 41.89 C ATOM 401 CE2 PHE A 68 -19.765 4.212 2.862 1.00 42.99 C ATOM 402 CZ PHE A 68 -19.546 4.496 4.200 1.00 42.26 C ATOM 403 N ASP A 69 -17.989 -2.041 1.423 1.00 43.05 N ATOM 404 CA ASP A 69 -17.169 -3.207 1.116 1.00 42.39 C ATOM 405 C ASP A 69 -15.894 -2.604 0.556 1.00 40.60 C ATOM 406 O ASP A 69 -15.565 -2.772 -0.617 1.00 41.01 O ATOM 407 CB ASP A 69 -17.828 -4.107 0.071 1.00 42.49 C ATOM 408 CG ASP A 69 -17.304 -5.530 0.128 1.00 44.55 C ATOM 409 OD1 ASP A 69 -16.064 -5.701 0.254 1.00 43.18 O ATOM 410 OD2 ASP A 69 -18.134 -6.469 0.042 1.00 46.39 O ATOM 411 N TRP A 70 -15.201 -1.872 1.418 1.00 37.40 N ATOM 412 CA TRP A 70 -13.976 -1.192 1.056 1.00 34.98 C ATOM 413 C TRP A 70 -13.034 -2.021 0.196 1.00 33.80 C ATOM 414 O TRP A 70 -12.868 -3.219 0.414 1.00 33.00 O ATOM 415 CB TRP A 70 -13.217 -0.763 2.313 1.00 32.74 C ATOM 416 CG TRP A 70 -13.987 0.067 3.285 1.00 30.15 C ATOM 417 CD1 TRP A 70 -14.690 -0.378 4.367 1.00 28.81 C ATOM 418 CD2 TRP A 70 -14.093 1.491 3.297 1.00 28.28 C ATOM 419 NE1 TRP A 70 -15.220 0.682 5.053 1.00 26.92 N ATOM 420 CE2 TRP A 70 -14.867 1.842 4.419 1.00 27.37 C ATOM 421 CE3 TRP A 70 -13.606 2.506 2.469 1.00 28.59 C ATOM 422 CZ2 TRP A 70 -15.166 3.167 4.738 1.00 27.42 C ATOM 423 CZ3 TRP A 70 -13.904 3.826 2.786 1.00 27.95 C ATOM 424 CH2 TRP A 70 -14.676 4.143 3.913 1.00 27.15 C ATOM 425 N GLN A 71 -12.425 -1.367 -0.783 1.00 32.79 N ATOM 426 CA GLN A 71 -11.443 -2.010 -1.641 1.00 32.04 C ATOM 427 C GLN A 71 -10.161 -1.284 -1.252 1.00 29.56 C ATOM 428 O GLN A 71 -10.219 -0.165 -0.748 1.00 28.95 O ATOM 429 CB GLN A 71 -11.764 -1.781 -3.128 1.00 33.56 C ATOM 430 CG GLN A 71 -13.018 -2.490 -3.639 1.00 34.66 C ATOM 431 CD GLN A 71 -12.763 -3.890 -4.137 1.00 36.39 C ATOM 432 OE1 GLN A 71 -12.226 -4.087 -5.234 1.00 37.47 O ATOM 433 NE2 GLN A 71 -13.153 -4.882 -3.335 1.00 36.82 N ATOM 434 N VAL A 72 -9.012 -1.908 -1.457 1.00 27.97 N ATOM 435 CA VAL A 72 -7.769 -1.253 -1.096 1.00 26.91 C ATOM 436 C VAL A 72 -6.771 -1.279 -2.245 1.00 26.00 C ATOM 437 O VAL A 72 -6.624 -2.282 -2.948 1.00 25.84 O ATOM 438 CB VAL A 72 -7.128 -1.903 0.147 1.00 26.62 C ATOM 439 CG1 VAL A 72 -5.915 -1.092 0.596 1.00 28.05 C ATOM 440 CG2 VAL A 72 -8.149 -1.974 1.268 1.00 28.12 C ATOM 441 N ALA A 73 -6.100 -0.150 -2.429 1.00 25.58 N ATOM 442 CA ALA A 73 -5.103 0.018 -3.466 1.00 25.08 C ATOM 443 C ALA A 73 -3.890 0.690 -2.834 1.00 25.94 C ATOM 444 O ALA A 73 -4.009 1.430 -1.851 1.00 24.99 O ATOM 445 CB ALA A 73 -5.665 0.854 -4.602 1.00 24.09 C ATOM 446 N VAL A 74 -2.725 0.424 -3.415 1.00 26.63 N ATOM 447 CA VAL A 74 -1.458 0.929 -2.903 1.00 26.79 C ATOM 448 C VAL A 74 -0.641 1.564 -4.016 1.00 26.57 C ATOM 449 O VAL A 74 -0.792 1.209 -5.180 1.00 25.46 O ATOM 450 CB VAL A 74 -0.656 -0.230 -2.296 1.00 27.28 C ATOM 451 CG1 VAL A 74 0.584 0.288 -1.601 1.00 31.86 C ATOM 452 CG2 VAL A 74 -1.525 -0.981 -1.326 1.00 30.96 C ATOM 453 N ALA A 75 0.218 2.508 -3.646 1.00 26.47 N ATOM 454 CA ALA A 75 1.083 3.199 -4.601 1.00 25.87 C ATOM 455 C ALA A 75 2.543 3.068 -4.150 1.00 25.09 C ATOM 456 O ALA A 75 2.856 3.299 -2.984 1.00 24.49 O ATOM 457 CB ALA A 75 0.688 4.669 -4.689 1.00 22.43 C ATOM 458 N ASP A 76 3.425 2.685 -5.068 1.00 26.06 N ATOM 459 CA ASP A 76 4.841 2.533 -4.747 1.00 28.58 C ATOM 460 C ASP A 76 5.417 3.900 -4.340 1.00 30.73 C ATOM 461 O ASP A 76 4.672 4.865 -4.231 1.00 32.13 O ATOM 462 CB ASP A 76 5.614 1.998 -5.956 1.00 28.22 C ATOM 463 CG ASP A 76 5.798 3.044 -7.037 1.00 27.30 C ATOM 464 OD1 ASP A 76 4.800 3.471 -7.637 1.00 27.52 O ATOM 465 OD2 ASP A 76 6.946 3.451 -7.274 1.00 27.67 O ATOM 466 N LEU A 77 6.731 3.991 -4.136 1.00 31.76 N ATOM 467 CA LEU A 77 7.365 5.249 -3.733 1.00 31.72 C ATOM 468 C LEU A 77 7.155 6.424 -4.675 1.00 33.07 C ATOM 469 O LEU A 77 6.825 7.530 -4.233 1.00 33.27 O ATOM 470 CB LEU A 77 8.868 5.055 -3.535 1.00 31.81 C ATOM 471 CG LEU A 77 9.291 4.111 -2.410 1.00 31.80 C ATOM 472 CD1 LEU A 77 10.801 3.983 -2.357 1.00 32.14 C ATOM 473 CD2 LEU A 77 8.763 4.647 -1.106 1.00 33.65 C ATOM 474 N GLU A 78 7.371 6.216 -5.970 1.00 34.95 N ATOM 475 CA GLU A 78 7.193 7.320 -6.916 1.00 35.04 C ATOM 476 C GLU A 78 5.732 7.766 -6.992 1.00 33.99 C ATOM 477 O GLU A 78 5.424 8.922 -6.717 1.00 32.25 O ATOM 478 CB GLU A 78 7.688 6.930 -8.313 1.00 36.46 C ATOM 479 CG GLU A 78 9.189 7.074 -8.500 1.00 41.85 C ATOM 480 CD GLU A 78 9.916 5.732 -8.557 1.00 44.88 C ATOM 481 OE1 GLU A 78 9.958 5.033 -7.517 1.00 45.63 O ATOM 482 OE2 GLU A 78 10.441 5.377 -9.644 1.00 45.68 O ATOM 483 N GLN A 79 4.835 6.841 -7.342 1.00 33.08 N ATOM 484 CA GLN A 79 3.414 7.159 -7.466 1.00 31.51 C ATOM 485 C GLN A 79 2.759 7.675 -6.187 1.00 32.63 C ATOM 486 O GLN A 79 1.599 8.079 -6.207 1.00 33.05 O ATOM 487 CB GLN A 79 2.630 5.949 -7.982 1.00 29.65 C ATOM 488 CG GLN A 79 3.138 5.404 -9.298 1.00 27.32 C ATOM 489 CD GLN A 79 3.394 6.497 -10.327 1.00 26.20 C ATOM 490 OE1 GLN A 79 2.467 7.136 -10.834 1.00 23.50 O ATOM 491 NE2 GLN A 79 4.669 6.725 -10.629 1.00 26.86 N ATOM 492 N SER A 80 3.484 7.642 -5.072 1.00 33.67 N ATOM 493 CA SER A 80 2.949 8.150 -3.816 1.00 33.65 C ATOM 494 C SER A 80 3.290 9.628 -3.798 1.00 35.93 C ATOM 495 O SER A 80 2.557 10.438 -3.252 1.00 35.73 O ATOM 496 CB SER A 80 3.596 7.448 -2.627 1.00 32.41 C ATOM 497 OG SER A 80 2.774 6.392 -2.170 1.00 31.28 O ATOM 498 N GLU A 81 4.422 9.966 -4.401 1.00 39.14 N ATOM 499 CA GLU A 81 4.865 11.347 -4.506 1.00 40.36 C ATOM 500 C GLU A 81 3.816 12.063 -5.335 1.00 38.23 C ATOM 501 O GLU A 81 3.195 13.012 -4.874 1.00 37.71 O ATOM 502 CB GLU A 81 6.197 11.398 -5.237 1.00 44.48 C ATOM 503 CG GLU A 81 6.781 12.784 -5.390 1.00 51.26 C ATOM 504 CD GLU A 81 7.828 12.857 -6.497 1.00 55.68 C ATOM 505 OE1 GLU A 81 8.513 13.909 -6.599 1.00 57.57 O ATOM 506 OE2 GLU A 81 7.954 11.867 -7.266 1.00 55.99 O ATOM 507 N ALA A 82 3.629 11.587 -6.563 1.00 36.89 N ATOM 508 CA ALA A 82 2.648 12.142 -7.488 1.00 35.97 C ATOM 509 C ALA A 82 1.260 12.149 -6.857 1.00 36.00 C ATOM 510 O ALA A 82 0.652 13.205 -6.727 1.00 38.06 O ATOM 511 CB ALA A 82 2.624 11.327 -8.761 1.00 38.19 C ATOM 512 N ILE A 83 0.754 10.971 -6.488 1.00 33.43 N ATOM 513 CA ILE A 83 -0.545 10.864 -5.836 1.00 31.26 C ATOM 514 C ILE A 83 -0.317 11.388 -4.420 1.00 32.81 C ATOM 515 O ILE A 83 -0.051 10.621 -3.506 1.00 34.89 O ATOM 516 CB ILE A 83 -1.005 9.401 -5.729 1.00 28.77 C ATOM 517 CG1 ILE A 83 -1.147 8.782 -7.114 1.00 23.83 C ATOM 518 CG2 ILE A 83 -2.314 9.336 -4.966 1.00 26.93 C ATOM 519 CD1 ILE A 83 -1.300 7.276 -7.099 1.00 20.11 C ATOM 520 N GLY A 84 -0.387 12.698 -4.252 1.00 33.18 N ATOM 521 CA GLY A 84 -0.169 13.280 -2.950 1.00 33.77 C ATOM 522 C GLY A 84 -0.350 14.757 -3.158 1.00 35.86 C ATOM 523 O GLY A 84 -1.182 15.399 -2.516 1.00 36.32 O ATOM 524 N ASP A 85 0.424 15.309 -4.081 1.00 36.75 N ATOM 525 CA ASP A 85 0.276 16.723 -4.359 1.00 37.36 C ATOM 526 C ASP A 85 -1.162 16.847 -4.806 1.00 36.89 C ATOM 527 O ASP A 85 -1.935 17.613 -4.224 1.00 38.48 O ATOM 528 CB ASP A 85 1.192 17.170 -5.492 1.00 38.09 C ATOM 529 CG ASP A 85 2.611 16.735 -5.287 1.00 38.67 C ATOM 530 OD1 ASP A 85 3.164 16.974 -4.197 1.00 39.24 O ATOM 531 OD2 ASP A 85 3.179 16.156 -6.225 1.00 40.59 O ATOM 532 N ARG A 86 -1.526 16.070 -5.827 1.00 33.94 N ATOM 533 CA ARG A 86 -2.888 16.104 -6.364 1.00 31.96 C ATOM 534 C ARG A 86 -3.934 16.233 -5.266 1.00 31.16 C ATOM 535 O ARG A 86 -4.940 16.930 -5.423 1.00 31.34 O ATOM 536 CB ARG A 86 -3.170 14.848 -7.193 1.00 30.29 C ATOM 537 CG ARG A 86 -4.618 14.739 -7.624 1.00 29.25 C ATOM 538 CD ARG A 86 -4.845 13.490 -8.473 1.00 27.32 C ATOM 539 NE ARG A 86 -6.242 13.378 -8.885 1.00 26.77 N ATOM 540 CZ ARG A 86 -6.711 12.433 -9.692 1.00 26.67 C ATOM 541 NH1 ARG A 86 -5.878 11.517 -10.171 1.00 26.42 N ATOM 542 NH2 ARG A 86 -8.005 12.403 -10.020 1.00 24.41 N ATOM 543 N PHE A 87 -3.678 15.563 -4.148 1.00 31.60 N ATOM 544 CA PHE A 87 -4.592 15.573 -3.007 1.00 31.38 C ATOM 545 C PHE A 87 -4.036 16.378 -1.856 1.00 31.42 C ATOM 546 O PHE A 87 -4.467 16.230 -0.716 1.00 30.41 O ATOM 547 CB PHE A 87 -4.849 14.145 -2.564 1.00 31.20 C ATOM 548 CG PHE A 87 -5.580 13.329 -3.582 1.00 30.52 C ATOM 549 CD1 PHE A 87 -6.964 13.361 -3.639 1.00 30.56 C ATOM 550 CD2 PHE A 87 -4.891 12.519 -4.477 1.00 29.29 C ATOM 551 CE1 PHE A 87 -7.656 12.589 -4.572 1.00 31.40 C ATOM 552 CE2 PHE A 87 -5.577 11.745 -5.415 1.00 29.48 C ATOM 553 CZ PHE A 87 -6.960 11.779 -5.461 1.00 30.03 C ATOM 554 N ASN A 88 -3.066 17.228 -2.180 1.00 32.55 N ATOM 555 CA ASN A 88 -2.407 18.102 -1.216 1.00 33.25 C ATOM 556 C ASN A 88 -1.877 17.370 0.011 1.00 33.31 C ATOM 557 O ASN A 88 -1.961 17.886 1.122 1.00 32.98 O ATOM 558 CB ASN A 88 -3.377 19.193 -0.778 1.00 32.92 C ATOM 559 CG ASN A 88 -2.823 20.574 -0.984 1.00 31.77 C ATOM 560 OD1 ASN A 88 -3.477 21.430 -1.582 1.00 32.08 O ATOM 561 ND2 ASN A 88 -1.613 20.809 -0.482 1.00 30.43 N ATOM 562 N VAL A 89 -1.327 16.178 -0.199 1.00 34.63 N ATOM 563 CA VAL A 89 -0.777 15.371 0.884 1.00 36.89 C ATOM 564 C VAL A 89 0.701 15.643 1.101 1.00 38.23 C ATOM 565 O VAL A 89 1.518 15.194 0.314 1.00 40.15 O ATOM 566 CB VAL A 89 -0.944 13.871 0.588 1.00 36.86 C ATOM 567 CG1 VAL A 89 -0.222 13.053 1.638 1.00 37.93 C ATOM 568 CG2 VAL A 89 -2.428 13.507 0.570 1.00 36.84 C ATOM 569 N ARG A 90 1.041 16.361 2.168 1.00 40.97 N ATOM 570 CA ARG A 90 2.435 16.679 2.465 1.00 42.24 C ATOM 571 C ARG A 90 3.039 15.716 3.475 1.00 40.44 C ATOM 572 O ARG A 90 4.261 15.626 3.600 1.00 39.20 O ATOM 573 CB ARG A 90 2.570 18.115 3.006 1.00 48.67 C ATOM 574 CG ARG A 90 2.419 19.240 1.950 1.00 56.58 C ATOM 575 CD ARG A 90 0.973 19.436 1.479 1.00 60.97 C ATOM 576 NE ARG A 90 0.180 20.249 2.401 1.00 64.61 N ATOM 577 CZ ARG A 90 0.336 21.559 2.570 1.00 67.34 C ATOM 578 NH1 ARG A 90 1.258 22.217 1.880 1.00 68.38 N ATOM 579 NH2 ARG A 90 -0.436 22.214 3.424 1.00 68.38 N ATOM 580 N ARG A 91 2.190 14.997 4.202 1.00 38.10 N ATOM 581 CA ARG A 91 2.691 14.069 5.209 1.00 36.21 C ATOM 582 C ARG A 91 2.371 12.624 4.913 1.00 33.02 C ATOM 583 O ARG A 91 1.278 12.294 4.468 1.00 31.33 O ATOM 584 CB ARG A 91 2.146 14.430 6.590 1.00 38.38 C ATOM 585 CG ARG A 91 2.654 15.745 7.132 1.00 41.71 C ATOM 586 CD ARG A 91 1.805 16.150 8.293 1.00 46.09 C ATOM 587 NE ARG A 91 0.397 16.218 7.906 1.00 48.75 N ATOM 588 CZ ARG A 91 -0.604 15.698 8.615 1.00 49.74 C ATOM 589 NH1 ARG A 91 -0.363 15.064 9.756 1.00 49.37 N ATOM 590 NH2 ARG A 91 -1.850 15.809 8.176 1.00 49.24 N ATOM 591 N PHE A 92 3.344 11.765 5.171 1.00 29.14 N ATOM 592 CA PHE A 92 3.186 10.345 4.941 1.00 27.09 C ATOM 593 C PHE A 92 3.503 9.637 6.228 1.00 25.86 C ATOM 594 O PHE A 92 4.275 10.143 7.036 1.00 25.35 O ATOM 595 CB PHE A 92 4.142 9.895 3.859 1.00 28.05 C ATOM 596 CG PHE A 92 3.915 10.581 2.545 1.00 31.00 C ATOM 597 CD1 PHE A 92 2.735 10.353 1.824 1.00 31.99 C ATOM 598 CD2 PHE A 92 4.868 11.448 2.022 1.00 29.19 C ATOM 599 CE1 PHE A 92 2.513 10.969 0.607 1.00 31.87 C ATOM 600 CE2 PHE A 92 4.651 12.068 0.807 1.00 32.26 C ATOM 601 CZ PHE A 92 3.467 11.827 0.093 1.00 32.78 C ATOM 602 N PRO A 93 2.911 8.456 6.450 1.00 25.76 N ATOM 603 CA PRO A 93 1.968 7.712 5.612 1.00 24.59 C ATOM 604 C PRO A 93 0.649 8.436 5.485 1.00 23.87 C ATOM 605 O PRO A 93 0.227 9.138 6.400 1.00 24.00 O ATOM 606 CB PRO A 93 1.796 6.405 6.367 1.00 24.23 C ATOM 607 CG PRO A 93 3.069 6.264 7.101 1.00 24.44 C ATOM 608 CD PRO A 93 3.296 7.640 7.611 1.00 25.39 C ATOM 609 N ALA A 94 -0.014 8.252 4.356 1.00 23.45 N ATOM 610 CA ALA A 94 -1.292 8.904 4.152 1.00 23.87 C ATOM 611 C ALA A 94 -2.278 7.917 3.582 1.00 23.22 C ATOM 612 O ALA A 94 -1.899 6.879 3.064 1.00 23.15 O ATOM 613 CB ALA A 94 -1.133 10.094 3.216 1.00 23.41 C ATOM 614 N THR A 95 -3.552 8.241 3.684 1.00 22.96 N ATOM 615 CA THR A 95 -4.571 7.361 3.159 1.00 23.31 C ATOM 616 C THR A 95 -5.769 8.143 2.632 1.00 23.76 C ATOM 617 O THR A 95 -6.360 8.953 3.336 1.00 22.03 O ATOM 618 CB THR A 95 -5.010 6.377 4.228 1.00 24.92 C ATOM 619 OG1 THR A 95 -3.878 5.591 4.618 1.00 26.66 O ATOM 620 CG2 THR A 95 -6.105 5.468 3.709 1.00 24.44 C ATOM 621 N LEU A 96 -6.109 7.898 1.374 1.00 25.71 N ATOM 622 CA LEU A 96 -7.221 8.577 0.735 1.00 27.62 C ATOM 623 C LEU A 96 -8.480 7.719 0.857 1.00 29.63 C ATOM 624 O LEU A 96 -8.460 6.527 0.543 1.00 30.27 O ATOM 625 CB LEU A 96 -6.884 8.819 -0.729 1.00 26.13 C ATOM 626 CG LEU A 96 -5.475 9.359 -0.956 1.00 23.81 C ATOM 627 CD1 LEU A 96 -5.149 9.247 -2.422 1.00 24.10 C ATOM 628 CD2 LEU A 96 -5.371 10.795 -0.469 1.00 21.07 C ATOM 629 N VAL A 97 -9.569 8.320 1.325 1.00 31.84 N ATOM 630 CA VAL A 97 -10.809 7.580 1.493 1.00 34.32 C ATOM 631 C VAL A 97 -11.824 7.912 0.431 1.00 36.54 C ATOM 632 O VAL A 97 -12.265 9.055 0.313 1.00 35.24 O ATOM 633 CB VAL A 97 -11.461 7.853 2.837 1.00 33.73 C ATOM 634 CG1 VAL A 97 -12.748 7.037 2.956 1.00 31.36 C ATOM 635 CG2 VAL A 97 -10.489 7.511 3.947 1.00 34.22 C ATOM 636 N PHE A 98 -12.284 6.969 -0.434 1.00 38.58 N ATOM 637 CA PHE A 98 -13.254 7.317 -1.486 1.00 42.39 C ATOM 638 C PHE A 98 -14.461 6.647 -1.240 1.00 44.10 C ATOM 639 O PHE A 98 -14.521 5.439 -1.427 1.00 44.84 O ATOM 640 CB PHE A 98 -12.834 6.868 -2.835 1.00 43.73 C ATOM 641 CG PHE A 98 -11.618 7.542 -3.240 1.00 44.75 C ATOM 642 CD1 PHE A 98 -10.389 7.113 -2.742 1.00 45.72 C ATOM 643 CD2 PHE A 98 -11.641 8.619 -4.087 1.00 44.36 C ATOM 644 CE1 PHE A 98 -9.230 7.711 -3.124 1.00 45.04 C ATOM 645 CE2 PHE A 98 -10.489 9.221 -4.472 1.00 45.14 C ATOM 646 CZ PHE A 98 -9.265 8.780 -4.006 1.00 45.20 C ATOM 647 N THR A 99 -15.259 6.862 -0.854 1.00 47.04 N ATOM 648 CA THR A 99 -16.517 6.449 -0.993 1.00 49.49 C ATOM 649 C THR A 99 -17.075 7.135 -2.249 1.00 50.77 C ATOM 650 O THR A 99 -17.256 6.493 -3.270 1.00 52.60 O ATOM 651 CB THR A 99 -17.225 6.576 0.339 1.00 49.73 C ATOM 652 OG1 THR A 99 -16.876 5.458 1.162 1.00 49.66 O ATOM 653 CG2 THR A 99 -18.738 6.638 0.137 1.00 49.61 C ATOM 654 N ASP A 100 -17.347 6.725 -2.932 1.00 51.83 N ATOM 655 CA ASP A 100 -17.850 6.510 -4.283 1.00 51.24 C ATOM 656 C ASP A 100 -17.227 7.442 -5.292 1.00 50.64 C ATOM 657 O ASP A 100 -17.528 7.430 -6.488 1.00 49.81 O ATOM 658 CB ASP A 100 -19.380 6.552 -4.236 1.00 51.72 C ATOM 659 CG ASP A 100 -20.054 7.048 -5.483 1.00 52.13 C ATOM 660 OD1 ASP A 100 -19.477 7.931 -6.166 1.00 52.31 O ATOM 661 OD2 ASP A 100 -21.175 6.575 -5.800 1.00 53.05 O ATOM 662 N GLY A 101 -16.328 8.257 -4.776 1.00 49.92 N ATOM 663 CA GLY A 101 -15.276 9.113 -5.488 1.00 48.98 C ATOM 664 C GLY A 101 -15.582 10.484 -4.746 1.00 49.11 C ATOM 665 O GLY A 101 -16.405 11.267 -5.206 1.00 50.39 O ATOM 666 N ALA A 106 -9.362 12.391 3.352 1.00 22.73 N ATOM 667 CA ALA A 106 -7.950 12.022 3.303 1.00 23.25 C ATOM 668 C ALA A 106 -7.247 12.028 4.667 1.00 23.45 C ATOM 669 O ALA A 106 -7.235 13.050 5.352 1.00 24.34 O ATOM 670 CB ALA A 106 -7.213 12.950 2.342 1.00 21.87 C ATOM 671 N LEU A 107 -6.676 10.882 5.054 1.00 23.32 N ATOM 672 CA LEU A 107 -5.921 10.732 6.315 1.00 23.58 C ATOM 673 C LEU A 107 -4.432 10.912 6.028 1.00 24.21 C ATOM 674 O LEU A 107 -3.879 10.222 5.171 1.00 23.52 O ATOM 675 CB LEU A 107 -6.104 9.333 6.908 1.00 21.60 C ATOM 676 CG LEU A 107 -7.526 8.874 7.204 1.00 21.69 C ATOM 677 CD1 LEU A 107 -7.522 7.397 7.477 1.00 20.17 C ATOM 678 CD2 LEU A 107 -8.105 9.653 8.369 1.00 20.13 C ATOM 679 N SER A 108 -3.771 11.801 6.759 1.00 25.52 N ATOM 680 CA SER A 108 -2.352 12.023 6.508 1.00 27.84 C ATOM 681 C SER A 108 -1.542 12.181 7.775 1.00 27.72 C ATOM 682 O SER A 108 -2.023 12.736 8.752 1.00 27.25 O ATOM 683 CB SER A 108 -2.163 13.267 5.632 1.00 28.55 C ATOM 684 OG SER A 108 -2.759 13.092 4.361 1.00 30.64 O ATOM 685 N GLY A 109 -0.306 11.695 7.746 1.00 29.06 N ATOM 686 CA GLY A 109 0.560 11.809 8.900 1.00 31.78 C ATOM 687 C GLY A 109 0.448 10.634 9.853 1.00 34.30 C ATOM 688 O GLY A 109 -0.286 9.671 9.602 1.00 34.75 O ATOM 689 N ILE A 110 1.176 10.721 10.962 1.00 34.23 N ATOM 690 CA ILE A 110 1.178 9.662 11.959 1.00 34.21 C ATOM 691 C ILE A 110 0.246 10.017 13.111 1.00 32.42 C ATOM 692 O ILE A 110 0.347 11.096 13.698 1.00 31.74 O ATOM 693 CB ILE A 110 2.633 9.382 12.475 1.00 34.48 C ATOM 694 CG1 ILE A 110 2.597 8.341 13.603 1.00 35.65 C ATOM 695 CG2 ILE A 110 3.296 10.670 12.913 1.00 34.50 C ATOM 696 CD1 ILE A 110 3.936 8.080 14.254 1.00 37.43 C ATOM 697 N HIS A 111 -0.672 9.101 13.410 1.00 31.25 N ATOM 698 CA HIS A 111 -1.650 9.297 14.473 1.00 30.90 C ATOM 699 C HIS A 111 -1.866 8.048 15.309 1.00 31.08 C ATOM 700 O HIS A 111 -1.928 6.944 14.774 1.00 31.95 O ATOM 701 CB HIS A 111 -3.005 9.685 13.896 1.00 29.51 C ATOM 702 CG HIS A 111 -2.972 10.876 13.000 1.00 27.88 C ATOM 703 ND1 HIS A 111 -3.350 10.813 11.678 1.00 28.55 N ATOM 704 CD2 HIS A 111 -2.637 12.163 13.237 1.00 26.65 C ATOM 705 CE1 HIS A 111 -3.251 12.014 11.139 1.00 28.89 C ATOM 706 NE2 HIS A 111 -2.819 12.850 12.064 1.00 27.18 N ATOM 707 N PRO A 112 -1.992 8.207 16.636 1.00 30.44 N ATOM 708 CA PRO A 112 -2.214 7.070 17.526 1.00 30.26 C ATOM 709 C PRO A 112 -3.574 6.464 17.188 1.00 29.80 C ATOM 710 O PRO A 112 -4.470 7.177 16.736 1.00 30.78 O ATOM 711 CB PRO A 112 -2.188 7.716 18.900 1.00 30.06 C ATOM 712 CG PRO A 112 -1.253 8.862 18.698 1.00 30.09 C ATOM 713 CD PRO A 112 -1.743 9.426 17.416 1.00 30.13 C ATOM 714 N TRP A 113 -3.735 5.161 17.403 1.00 29.19 N ATOM 715 CA TRP A 113 -5.002 4.510 17.085 1.00 28.51 C ATOM 716 C TRP A 113 -6.210 5.404 17.338 1.00 28.76 C ATOM 717 O TRP A 113 -7.023 5.619 16.448 1.00 29.37 O ATOM 718 CB TRP A 113 -5.183 3.199 17.872 1.00 26.48 C ATOM 719 CG TRP A 113 -6.631 2.719 17.825 1.00 25.11 C ATOM 720 CD1 TRP A 113 -7.579 2.847 18.817 1.00 24.21 C ATOM 721 CD2 TRP A 113 -7.328 2.187 16.688 1.00 22.81 C ATOM 722 NE1 TRP A 113 -8.807 2.440 18.360 1.00 22.01 N ATOM 723 CE2 TRP A 113 -8.685 2.032 17.061 1.00 22.21 C ATOM 724 CE3 TRP A 113 -6.939 1.834 15.388 1.00 22.77 C ATOM 725 CZ2 TRP A 113 -9.652 1.544 16.184 1.00 22.25 C ATOM 726 CZ3 TRP A 113 -7.903 1.347 14.511 1.00 21.00 C ATOM 727 CH2 TRP A 113 -9.241 1.207 14.912 1.00 22.63 C ATOM 728 N ALA A 114 -6.325 5.933 18.549 1.00 28.10 N ATOM 729 CA ALA A 114 -7.462 6.772 18.881 1.00 27.31 C ATOM 730 C ALA A 114 -7.715 7.884 17.869 1.00 25.91 C ATOM 731 O ALA A 114 -8.815 8.024 17.354 1.00 25.22 O ATOM 732 CB ALA A 114 -7.277 7.357 20.269 1.00 26.52 C ATOM 733 N GLU A 115 -6.692 8.672 17.593 1.00 26.38 N ATOM 734 CA GLU A 115 -6.801 9.793 16.660 1.00 28.47 C ATOM 735 C GLU A 115 -7.267 9.369 15.256 1.00 27.95 C ATOM 736 O GLU A 115 -8.181 9.963 14.677 1.00 27.32 O ATOM 737 CB GLU A 115 -5.440 10.480 16.592 1.00 27.78 C ATOM 738 CG GLU A 115 -5.404 11.868 16.015 1.00 26.80 C ATOM 739 CD GLU A 115 -4.275 12.656 16.631 1.00 28.26 C ATOM 740 OE1 GLU A 115 -4.447 13.103 17.790 1.00 28.94 O ATOM 741 OE2 GLU A 115 -3.208 12.804 15.989 1.00 25.28 O ATOM 742 N LEU A 116 -6.622 8.340 14.727 1.00 26.66 N ATOM 743 CA LEU A 116 -6.952 7.820 13.422 1.00 26.71 C ATOM 744 C LEU A 116 -8.447 7.543 13.331 1.00 26.56 C ATOM 745 O LEU A 116 -9.105 7.995 12.408 1.00 28.72 O ATOM 746 CB LEU A 116 -6.179 6.523 13.161 1.00 25.97 C ATOM 747 CG LEU A 116 -6.128 6.017 11.717 1.00 24.92 C ATOM 748 CD1 LEU A 116 -5.402 7.050 10.888 1.00 24.52 C ATOM 749 CD2 LEU A 116 -5.413 4.666 11.629 1.00 24.78 C ATOM 750 N LEU A 117 -8.987 6.819 14.299 1.00 26.04 N ATOM 751 CA LEU A 117 -10.403 6.471 14.283 1.00 26.82 C ATOM 752 C LEU A 117 -11.362 7.657 14.189 1.00 26.98 C ATOM 753 O LEU A 117 -12.353 7.610 13.460 1.00 27.57 O ATOM 754 CB LEU A 117 -10.740 5.629 15.506 1.00 27.22 C ATOM 755 CG LEU A 117 -12.193 5.175 15.625 1.00 28.44 C ATOM 756 CD1 LEU A 117 -12.634 4.477 14.347 1.00 28.88 C ATOM 757 CD2 LEU A 117 -12.305 4.234 16.829 1.00 29.63 C ATOM 758 N THR A 118 -11.066 8.711 14.933 1.00 27.98 N ATOM 759 CA THR A 118 -11.879 9.919 14.931 1.00 29.41 C ATOM 760 C THR A 118 -11.791 10.614 13.582 1.00 31.02 C ATOM 761 O THR A 118 -12.756 11.201 13.097 1.00 31.13 O ATOM 762 CB THR A 118 -11.391 10.887 15.989 1.00 28.49 C ATOM 763 OG1 THR A 118 -11.470 10.252 17.270 1.00 27.56 O ATOM 764 CG2 THR A 118 -12.222 12.148 15.971 1.00 27.20 C ATOM 765 N LEU A 119 -10.617 10.556 12.976 1.00 32.35 N ATOM 766 CA LEU A 119 -10.443 11.171 11.686 1.00 33.61 C ATOM 767 C LEU A 119 -11.261 10.426 10.640 1.00 35.39 C ATOM 768 O LEU A 119 -11.913 11.056 9.814 1.00 34.75 O ATOM 769 CB LEU A 119 -8.968 11.179 11.302 1.00 32.39 C ATOM 770 CG LEU A 119 -8.093 12.110 12.124 1.00 30.26 C ATOM 771 CD1 LEU A 119 -6.643 11.828 11.808 1.00 31.60 C ATOM 772 CD2 LEU A 119 -8.440 13.543 11.842 1.00 28.35 C HETATM 773 N MSE A 120 -11.244 9.094 10.692 1.00 37.23 N HETATM 774 CA MSE A 120 -11.978 8.268 9.734 1.00 39.35 C HETATM 775 C MSE A 120 -13.459 8.300 10.037 1.00 38.86 C HETATM 776 O MSE A 120 -14.296 8.089 9.166 1.00 37.66 O HETATM 777 CB MSE A 120 -11.494 6.817 9.785 1.00 41.00 C HETATM 778 CG MSE A 120 -12.101 5.919 8.699 1.00 44.48 C HETATM 779 SE MSE A 120 -11.527 6.422 6.893 1.00 46.19 HETATM 780 CE MSE A 120 -13.066 7.346 6.276 1.00 48.15 C ATOM 781 N ARG A 121 -13.780 8.551 11.293 1.00 39.35 N ATOM 782 CA ARG A 121 -15.162 8.621 11.692 1.00 40.60 C ATOM 783 C ARG A 121 -15.740 9.934 11.148 1.00 40.19 C ATOM 784 O ARG A 121 -16.913 10.005 10.789 1.00 40.72 O ATOM 785 CB ARG A 121 -15.265 8.549 13.223 1.00 41.11 C ATOM 786 CG ARG A 121 -16.663 8.243 13.726 1.00 42.57 C ATOM 787 CD ARG A 121 -16.687 7.968 15.219 1.00 45.94 C ATOM 788 NE ARG A 121 -16.069 6.698 15.613 1.00 48.11 N ATOM 789 CZ ARG A 121 -16.552 5.490 15.330 1.00 49.42 C ATOM 790 NH1 ARG A 121 -17.674 5.360 14.634 1.00 49.76 N ATOM 791 NH2 ARG A 121 -15.917 4.406 15.766 1.00 50.49 N ATOM 792 N SER A 122 -14.906 10.968 11.066 1.00 40.60 N ATOM 793 CA SER A 122 -15.343 12.264 10.549 1.00 40.20 C ATOM 794 C SER A 122 -15.520 12.236 9.047 1.00 39.94 C ATOM 795 O SER A 122 -16.442 12.851 8.521 1.00 39.24 O ATOM 796 CB SER A 122 -14.336 13.352 10.869 1.00 40.67 C ATOM 797 OG SER A 122 -14.685 14.545 10.185 1.00 40.71 O ATOM 798 N ILE A 123 -14.623 11.538 8.360 1.00 39.03 N ATOM 799 CA ILE A 123 -14.702 11.437 6.916 1.00 38.85 C ATOM 800 C ILE A 123 -15.975 10.704 6.501 1.00 38.37 C ATOM 801 O ILE A 123 -16.673 11.125 5.585 1.00 36.81 O ATOM 802 CB ILE A 123 -13.488 10.688 6.345 1.00 38.19 C ATOM 803 CG1 ILE A 123 -12.196 11.423 6.684 1.00 38.37 C ATOM 804 CG2 ILE A 123 -13.604 10.593 4.854 1.00 38.68 C ATOM 805 CD1 ILE A 123 -10.965 10.753 6.125 1.00 36.82 C ATOM 806 N VAL A 124 -16.280 9.613 7.190 1.00 40.47 N ATOM 807 CA VAL A 124 -17.466 8.826 6.882 1.00 43.10 C ATOM 808 C VAL A 124 -18.774 9.566 7.173 1.00 45.05 C ATOM 809 O VAL A 124 -19.657 9.607 6.317 1.00 46.23 O ATOM 810 CB VAL A 124 -17.444 7.493 7.647 1.00 41.50 C ATOM 811 CG1 VAL A 124 -18.723 6.749 7.425 1.00 41.23 C ATOM 812 CG2 VAL A 124 -16.276 6.659 7.172 1.00 40.05 C ATOM 813 N ASP A 125 -18.894 10.163 8.360 1.00 46.63 N ATOM 814 CA ASP A 125 -20.114 10.883 8.718 1.00 48.18 C ATOM 815 C ASP A 125 -20.112 12.327 8.226 1.00 49.04 C ATOM 816 O ASP A 125 -19.069 12.789 7.720 1.00 49.48 O ATOM 817 CB ASP A 125 -20.322 10.874 10.235 1.00 48.26 C ATOM 818 CG ASP A 125 -20.180 9.488 10.842 1.00 49.51 C ATOM 819 OD1 ASP A 125 -20.539 8.496 10.171 1.00 50.59 O ATOM 820 OD2 ASP A 125 -19.722 9.392 12.004 1.00 48.68 O TER 822 ASP A 125 ATOM 822 N PHE B 7 -16.665 -6.006 73.594 1.00 30.36 N ATOM 823 CA PHE B 7 -15.381 -6.239 72.862 1.00 31.81 C ATOM 824 C PHE B 7 -14.975 -5.054 71.985 1.00 31.53 C ATOM 825 O PHE B 7 -13.787 -4.780 71.781 1.00 30.00 O ATOM 826 CB PHE B 7 -15.477 -7.488 71.995 1.00 31.91 C ATOM 827 CG PHE B 7 -14.200 -7.816 71.308 1.00 33.25 C ATOM 828 CD1 PHE B 7 -13.130 -8.323 72.030 1.00 32.80 C ATOM 829 CD2 PHE B 7 -14.026 -7.521 69.958 1.00 33.70 C ATOM 830 CE1 PHE B 7 -11.900 -8.522 71.424 1.00 33.27 C ATOM 831 CE2 PHE B 7 -12.801 -7.715 69.339 1.00 34.36 C ATOM 832 CZ PHE B 7 -11.733 -8.214 70.071 1.00 33.69 C ATOM 833 N SER B 8 -15.977 -4.364 71.458 1.00 32.97 N ATOM 834 CA SER B 8 -15.751 -3.186 70.629 1.00 33.51 C ATOM 835 C SER B 8 -14.871 -2.172 71.381 1.00 32.94 C ATOM 836 O SER B 8 -13.851 -1.699 70.858 1.00 31.68 O ATOM 837 CB SER B 8 -17.099 -2.543 70.264 1.00 34.30 C ATOM 838 OG SER B 8 -16.916 -1.271 69.654 1.00 37.71 O ATOM 839 N ALA B 9 -15.267 -1.840 72.611 1.00 30.10 N ATOM 840 CA ALA B 9 -14.494 -0.890 73.396 1.00 28.69 C ATOM 841 C ALA B 9 -13.096 -1.411 73.692 1.00 27.15 C ATOM 842 O ALA B 9 -12.135 -0.649 73.666 1.00 27.57 O ATOM 843 CB ALA B 9 -15.210 -0.560 74.676 1.00 27.06 C ATOM 844 N LEU B 10 -12.992 -2.711 73.956 1.00 25.53 N ATOM 845 CA LEU B 10 -11.715 -3.347 74.254 1.00 23.68 C ATOM 846 C LEU B 10 -10.805 -3.275 73.053 1.00 24.05 C ATOM 847 O LEU B 10 -9.653 -2.879 73.166 1.00 24.12 O ATOM 848 CB LEU B 10 -11.930 -4.800 74.650 1.00 21.91 C ATOM 849 CG LEU B 10 -10.695 -5.682 74.757 1.00 20.84 C ATOM 850 CD1 LEU B 10 -9.627 -5.032 75.631 1.00 20.81 C ATOM 851 CD2 LEU B 10 -11.104 -7.020 75.322 1.00 20.20 C ATOM 852 N TRP B 11 -11.333 -3.650 71.899 1.00 23.53 N ATOM 853 CA TRP B 11 -10.566 -3.612 70.681 1.00 23.40 C ATOM 854 C TRP B 11 -9.992 -2.211 70.468 1.00 24.59 C ATOM 855 O TRP B 11 -8.788 -2.071 70.278 1.00 26.21 O ATOM 856 CB TRP B 11 -11.470 -4.017 69.530 1.00 24.07 C ATOM 857 CG TRP B 11 -10.802 -4.163 68.214 1.00 24.56 C ATOM 858 CD1 TRP B 11 -11.149 -3.537 67.058 1.00 24.11 C ATOM 859 CD2 TRP B 11 -9.713 -5.034 67.890 1.00 24.63 C ATOM 860 NE1 TRP B 11 -10.349 -3.964 66.035 1.00 25.52 N ATOM 861 CE2 TRP B 11 -9.458 -4.885 66.521 1.00 25.37 C ATOM 862 CE3 TRP B 11 -8.929 -5.928 68.627 1.00 24.35 C ATOM 863 CZ2 TRP B 11 -8.453 -5.597 65.870 1.00 25.80 C ATOM 864 CZ3 TRP B 11 -7.933 -6.632 67.978 1.00 23.34 C ATOM 865 CH2 TRP B 11 -7.704 -6.465 66.620 1.00 24.75 C ATOM 866 N GLN B 12 -10.832 -1.173 70.524 1.00 24.74 N ATOM 867 CA GLN B 12 -10.357 0.207 70.320 1.00 23.83 C ATOM 868 C GLN B 12 -9.313 0.646 71.342 1.00 24.03 C ATOM 869 O GLN B 12 -8.451 1.466 71.049 1.00 24.00 O ATOM 870 CB GLN B 12 -11.515 1.214 70.356 1.00 22.57 C ATOM 871 CG GLN B 12 -12.513 1.113 69.217 1.00 21.46 C ATOM 872 CD GLN B 12 -11.883 1.138 67.850 1.00 18.36 C ATOM 873 OE1 GLN B 12 -11.181 2.085 67.486 1.00 15.91 O ATOM 874 NE2 GLN B 12 -12.150 0.098 67.072 1.00 17.48 N ATOM 875 N ARG B 13 -9.409 0.119 72.552 1.00 25.00 N ATOM 876 CA ARG B 13 -8.447 0.459 73.582 1.00 25.84 C ATOM 877 C ARG B 13 -7.088 -0.155 73.222 1.00 25.74 C ATOM 878 O ARG B 13 -6.041 0.439 73.467 1.00 24.47 O ATOM 879 CB ARG B 13 -8.915 -0.063 74.940 1.00 25.89 C ATOM 880 CG ARG B 13 -9.964 0.806 75.639 1.00 29.43 C ATOM 881 CD ARG B 13 -10.621 0.033 76.803 1.00 31.56 C ATOM 882 NE ARG B 13 -9.631 -0.594 77.678 1.00 32.94 N ATOM 883 CZ ARG B 13 -9.876 -1.642 78.459 1.00 33.64 C ATOM 884 NH1 ARG B 13 -11.089 -2.177 78.460 1.00 32.42 N ATOM 885 NH2 ARG B 13 -8.916 -2.147 79.239 1.00 32.84 N ATOM 886 N LEU B 14 -7.120 -1.343 72.620 1.00 24.99 N ATOM 887 CA LEU B 14 -5.909 -2.038 72.236 1.00 23.27 C ATOM 888 C LEU B 14 -5.220 -1.318 71.099 1.00 24.38 C ATOM 889 O LEU B 14 -3.989 -1.208 71.066 1.00 24.35 O ATOM 890 CB LEU B 14 -6.235 -3.472 71.834 1.00 21.54 C ATOM 891 CG LEU B 14 -6.682 -4.327 73.017 1.00 21.55 C ATOM 892 CD1 LEU B 14 -7.451 -5.550 72.545 1.00 21.09 C ATOM 893 CD2 LEU B 14 -5.474 -4.719 73.818 1.00 21.16 C ATOM 894 N LEU B 15 -6.012 -0.817 70.159 1.00 24.62 N ATOM 895 CA LEU B 15 -5.448 -0.104 69.023 1.00 23.76 C ATOM 896 C LEU B 15 -5.007 1.296 69.426 1.00 24.30 C ATOM 897 O LEU B 15 -4.015 1.805 68.910 1.00 26.12 O ATOM 898 CB LEU B 15 -6.462 -0.056 67.885 1.00 22.58 C ATOM 899 CG LEU B 15 -6.721 -1.409 67.216 1.00 21.43 C ATOM 900 CD1 LEU B 15 -7.739 -1.216 66.099 1.00 20.43 C ATOM 901 CD2 LEU B 15 -5.425 -1.991 66.660 1.00 17.58 C ATOM 902 N THR B 16 -5.732 1.916 70.353 1.00 23.91 N ATOM 903 CA THR B 16 -5.347 3.240 70.826 1.00 24.43 C ATOM 904 C THR B 16 -3.987 3.139 71.535 1.00 25.02 C ATOM 905 O THR B 16 -3.345 4.145 71.806 1.00 25.22 O ATOM 906 CB THR B 16 -6.382 3.833 71.819 1.00 23.66 C ATOM 907 OG1 THR B 16 -7.654 3.956 71.180 1.00 26.29 O ATOM 908 CG2 THR B 16 -5.959 5.203 72.279 1.00 20.37 C ATOM 909 N ARG B 17 -3.560 1.915 71.828 1.00 25.57 N ATOM 910 CA ARG B 17 -2.284 1.669 72.480 1.00 24.50 C ATOM 911 C ARG B 17 -1.200 1.611 71.417 1.00 24.73 C ATOM 912 O ARG B 17 -0.012 1.581 71.730 1.00 24.17 O ATOM 913 CB ARG B 17 -2.305 0.336 73.224 1.00 25.97 C ATOM 914 CG ARG B 17 -3.036 0.323 74.551 1.00 28.10 C ATOM 915 CD ARG B 17 -2.900 -1.041 75.200 1.00 29.97 C ATOM 916 NE ARG B 17 -3.535 -1.105 76.515 1.00 32.96 N ATOM 917 CZ ARG B 17 -2.897 -1.008 77.683 1.00 33.11 C ATOM 918 NH1 ARG B 17 -1.580 -0.836 77.708 1.00 32.00 N ATOM 919 NH2 ARG B 17 -3.579 -1.099 78.831 1.00 32.22 N ATOM 920 N GLY B 18 -1.608 1.570 70.156 1.00 24.27 N ATOM 921 CA GLY B 18 -0.631 1.522 69.086 1.00 26.63 C ATOM 922 C GLY B 18 -0.300 0.122 68.618 1.00 28.79 C ATOM 923 O GLY B 18 0.370 -0.063 67.598 1.00 28.62 O ATOM 924 N TRP B 19 -0.769 -0.867 69.375 1.00 30.65 N ATOM 925 CA TRP B 19 -0.558 -2.275 69.057 1.00 31.68 C ATOM 926 C TRP B 19 -1.169 -2.636 67.705 1.00 31.56 C ATOM 927 O TRP B 19 -2.309 -2.283 67.417 1.00 32.29 O ATOM 928 CB TRP B 19 -1.174 -3.127 70.159 1.00 33.48 C ATOM 929 CG TRP B 19 -0.516 -2.918 71.473 1.00 35.17 C ATOM 930 CD1 TRP B 19 0.709 -2.365 71.689 1.00 35.09 C ATOM 931 CD2 TRP B 19 -0.990 -3.364 72.751 1.00 36.46 C ATOM 932 NE1 TRP B 19 1.035 -2.447 73.019 1.00 35.37 N ATOM 933 CE2 TRP B 19 0.010 -3.056 73.694 1.00 35.84 C ATOM 934 CE3 TRP B 19 -2.161 -4.000 73.190 1.00 36.25 C ATOM 935 CZ2 TRP B 19 -0.122 -3.361 75.044 1.00 36.04 C ATOM 936 CZ3 TRP B 19 -2.288 -4.304 74.533 1.00 36.15 C ATOM 937 CH2 TRP B 19 -1.276 -3.985 75.443 1.00 36.22 C ATOM 938 N GLN B 20 -0.420 -3.358 66.884 1.00 31.47 N ATOM 939 CA GLN B 20 -0.906 -3.714 65.554 1.00 30.88 C ATOM 940 C GLN B 20 -1.731 -4.992 65.466 1.00 28.45 C ATOM 941 O GLN B 20 -1.411 -5.993 66.094 1.00 27.51 O ATOM 942 CB GLN B 20 0.273 -3.800 64.576 1.00 32.87 C ATOM 943 CG GLN B 20 1.052 -2.494 64.429 1.00 34.78 C ATOM 944 CD GLN B 20 0.143 -1.315 64.119 1.00 36.58 C ATOM 945 OE1 GLN B 20 -0.761 -1.415 63.288 1.00 38.49 O ATOM 946 NE2 GLN B 20 0.383 -0.193 64.781 1.00 35.93 N ATOM 947 N PRO B 21 -2.809 -4.966 64.671 1.00 25.28 N ATOM 948 CA PRO B 21 -3.706 -6.106 64.472 1.00 24.77 C ATOM 949 C PRO B 21 -3.089 -7.131 63.522 1.00 24.72 C ATOM 950 O PRO B 21 -2.402 -6.769 62.569 1.00 25.13 O ATOM 951 CB PRO B 21 -4.954 -5.469 63.861 1.00 23.91 C ATOM 952 CG PRO B 21 -4.827 -4.017 64.193 1.00 23.30 C ATOM 953 CD PRO B 21 -3.365 -3.768 64.040 1.00 23.63 C ATOM 954 N VAL B 22 -3.336 -8.406 63.780 1.00 24.48 N ATOM 955 CA VAL B 22 -2.810 -9.451 62.923 1.00 23.76 C ATOM 956 C VAL B 22 -3.876 -10.459 62.583 1.00 25.02 C ATOM 957 O VAL B 22 -4.543 -10.985 63.471 1.00 25.04 O ATOM 958 CB VAL B 22 -1.653 -10.225 63.576 1.00 21.87 C ATOM 959 CG1 VAL B 22 -0.449 -9.320 63.746 1.00 19.48 C ATOM 960 CG2 VAL B 22 -2.110 -10.805 64.899 1.00 19.20 C ATOM 961 N GLU B 23 -4.040 -10.714 61.291 1.00 27.03 N ATOM 962 CA GLU B 23 -4.998 -11.700 60.815 1.00 29.31 C ATOM 963 C GLU B 23 -4.236 -12.993 60.880 1.00 30.41 C ATOM 964 O GLU B 23 -3.110 -13.014 61.368 1.00 31.95 O ATOM 965 CB GLU B 23 -5.372 -11.443 59.359 1.00 31.04 C ATOM 966 CG GLU B 23 -6.535 -10.510 59.150 1.00 33.99 C ATOM 967 CD GLU B 23 -6.217 -9.097 59.572 1.00 37.37 C ATOM 968 OE1 GLU B 23 -5.248 -8.519 59.014 1.00 38.78 O ATOM 969 OE2 GLU B 23 -6.941 -8.565 60.457 1.00 38.61 O ATOM 970 N ALA B 24 -4.817 -14.073 60.374 1.00 31.11 N ATOM 971 CA ALA B 24 -4.107 -15.350 60.386 1.00 31.60 C ATOM 972 C ALA B 24 -2.901 -15.237 59.440 1.00 31.31 C ATOM 973 O ALA B 24 -2.512 -16.208 58.802 1.00 30.01 O ATOM 974 CB ALA B 24 -5.052 -16.479 59.949 1.00 30.56 C ATOM 975 N SER B 25 -2.322 -14.034 59.359 1.00 32.15 N ATOM 976 CA SER B 25 -1.155 -13.767 58.503 1.00 31.58 C ATOM 977 C SER B 25 -0.312 -12.600 59.022 1.00 30.46 C ATOM 978 O SER B 25 0.371 -12.702 60.037 1.00 29.18 O ATOM 979 CB SER B 25 -1.598 -13.451 57.072 1.00 30.09 C ATOM 980 OG SER B 25 -2.573 -14.378 56.638 1.00 30.83 O ATOM 981 N VAL B 34 9.528 -11.794 62.209 1.00 42.31 N ATOM 982 CA VAL B 34 8.810 -10.895 63.095 1.00 42.39 C ATOM 983 C VAL B 34 9.759 -10.113 64.026 1.00 43.53 C ATOM 984 O VAL B 34 9.816 -8.879 63.974 1.00 44.63 O ATOM 985 CB VAL B 34 7.694 -11.670 63.908 1.00 42.03 C ATOM 986 CG1 VAL B 34 6.385 -11.667 63.124 1.00 39.26 C ATOM 987 CG2 VAL B 34 8.103 -13.136 64.156 1.00 40.52 C ATOM 988 N GLY B 35 10.518 -10.815 64.859 1.00 42.52 N ATOM 989 CA GLY B 35 11.433 -10.137 65.764 1.00 41.33 C ATOM 990 C GLY B 35 11.046 -10.374 67.206 1.00 40.79 C ATOM 991 O GLY B 35 10.596 -11.462 67.551 1.00 39.69 O ATOM 992 N ASP B 36 11.229 -9.367 68.055 1.00 40.29 N ATOM 993 CA ASP B 36 10.870 -9.484 69.463 1.00 39.64 C ATOM 994 C ASP B 36 9.492 -8.875 69.652 1.00 38.38 C ATOM 995 O ASP B 36 9.333 -7.655 69.598 1.00 40.02 O ATOM 996 CB ASP B 36 11.881 -8.749 70.345 1.00 41.96 C ATOM 997 CG ASP B 36 13.276 -9.348 70.262 1.00 45.51 C ATOM 998 OD1 ASP B 36 13.386 -10.591 70.339 1.00 46.91 O ATOM 999 OD2 ASP B 36 14.263 -8.585 70.134 1.00 46.89 O ATOM 1000 N GLY B 37 8.495 -9.728 69.872 1.00 36.24 N ATOM 1001 CA GLY B 37 7.136 -9.245 70.060 1.00 33.66 C ATOM 1002 C GLY B 37 6.201 -10.266 70.688 1.00 31.53 C ATOM 1003 O GLY B 37 6.502 -11.464 70.735 1.00 29.08 O ATOM 1004 N VAL B 38 5.049 -9.798 71.153 1.00 28.65 N ATOM 1005 CA VAL B 38 4.097 -10.686 71.796 1.00 26.15 C ATOM 1006 C VAL B 38 2.699 -10.501 71.192 1.00 25.17 C ATOM 1007 O VAL B 38 2.322 -9.387 70.838 1.00 24.75 O ATOM 1008 CB VAL B 38 4.105 -10.398 73.295 1.00 25.99 C ATOM 1009 CG1 VAL B 38 3.019 -9.407 73.637 1.00 28.36 C ATOM 1010 CG2 VAL B 38 4.003 -11.686 74.069 1.00 26.45 C ATOM 1011 N ILE B 39 1.941 -11.587 71.046 1.00 23.24 N ATOM 1012 CA ILE B 39 0.592 -11.517 70.454 1.00 21.52 C ATOM 1013 C ILE B 39 -0.522 -11.827 71.469 1.00 21.79 C ATOM 1014 O ILE B 39 -0.522 -12.888 72.090 1.00 21.83 O ATOM 1015 CB ILE B 39 0.421 -12.539 69.274 1.00 21.77 C ATOM 1016 CG1 ILE B 39 1.480 -12.334 68.193 1.00 21.13 C ATOM 1017 CG2 ILE B 39 -0.921 -12.360 68.618 1.00 22.06 C ATOM 1018 CD1 ILE B 39 1.296 -13.240 66.994 1.00 16.68 C ATOM 1019 N LEU B 40 -1.482 -10.919 71.611 1.00 21.70 N ATOM 1020 CA LEU B 40 -2.583 -11.130 72.542 1.00 20.93 C ATOM 1021 C LEU B 40 -3.826 -11.613 71.827 1.00 21.48 C ATOM 1022 O LEU B 40 -4.324 -10.944 70.916 1.00 20.67 O ATOM 1023 CB LEU B 40 -2.939 -9.845 73.275 1.00 19.94 C ATOM 1024 CG LEU B 40 -1.784 -9.047 73.838 1.00 21.33 C ATOM 1025 CD1 LEU B 40 -2.365 -7.928 74.649 1.00 22.49 C ATOM 1026 CD2 LEU B 40 -0.867 -9.920 74.690 1.00 22.13 C ATOM 1027 N LEU B 41 -4.334 -12.765 72.260 1.00 22.61 N ATOM 1028 CA LEU B 41 -5.543 -13.354 71.684 1.00 22.60 C ATOM 1029 C LEU B 41 -6.654 -13.154 72.687 1.00 22.81 C ATOM 1030 O LEU B 41 -6.491 -13.478 73.857 1.00 22.07 O ATOM 1031 CB LEU B 41 -5.364 -14.855 71.450 1.00 22.92 C ATOM 1032 CG LEU B 41 -4.163 -15.282 70.601 1.00 22.07 C ATOM 1033 CD1 LEU B 41 -4.054 -16.789 70.576 1.00 22.42 C ATOM 1034 CD2 LEU B 41 -4.322 -14.729 69.226 1.00 22.49 C ATOM 1035 N SER B 42 -7.782 -12.635 72.217 1.00 23.82 N ATOM 1036 CA SER B 42 -8.938 -12.372 73.061 1.00 23.67 C ATOM 1037 C SER B 42 -10.156 -13.238 72.793 1.00 26.02 C ATOM 1038 O SER B 42 -10.380 -13.728 71.679 1.00 27.19 O ATOM 1039 CB SER B 42 -9.361 -10.923 72.911 1.00 21.31 C ATOM 1040 OG SER B 42 -8.488 -10.072 73.616 1.00 23.66 O ATOM 1041 N SER B 43 -10.952 -13.407 73.836 1.00 28.37 N ATOM 1042 CA SER B 43 -12.178 -14.168 73.747 1.00 30.67 C ATOM 1043 C SER B 43 -13.247 -13.151 74.045 1.00 32.20 C ATOM 1044 O SER B 43 -12.935 -12.104 74.591 1.00 30.57 O ATOM 1045 CB SER B 43 -12.194 -15.259 74.800 1.00 33.11 C ATOM 1046 OG SER B 43 -13.401 -15.992 74.737 1.00 37.39 O ATOM 1047 N ASP B 44 -14.495 -13.436 73.689 1.00 35.78 N ATOM 1048 CA ASP B 44 -15.574 -12.485 73.941 1.00 38.47 C ATOM 1049 C ASP B 44 -15.587 -12.041 75.403 1.00 40.95 C ATOM 1050 O ASP B 44 -15.725 -12.861 76.317 1.00 40.60 O ATOM 1051 CB ASP B 44 -16.924 -13.097 73.550 1.00 38.64 C ATOM 1052 CG ASP B 44 -18.077 -12.118 73.690 1.00 39.13 C ATOM 1053 OD1 ASP B 44 -17.850 -10.902 73.573 1.00 40.05 O ATOM 1054 OD2 ASP B 44 -19.220 -12.566 73.900 1.00 40.14 O ATOM 1055 N PRO B 45 -15.427 -10.728 75.637 1.00 44.01 N ATOM 1056 CA PRO B 45 -15.402 -10.076 76.950 1.00 46.78 C ATOM 1057 C PRO B 45 -16.505 -10.481 77.935 1.00 49.00 C ATOM 1058 O PRO B 45 -16.361 -10.283 79.141 1.00 50.19 O ATOM 1059 CB PRO B 45 -15.466 -8.594 76.596 1.00 46.03 C ATOM 1060 CG PRO B 45 -14.683 -8.541 75.338 1.00 45.58 C ATOM 1061 CD PRO B 45 -15.197 -9.740 74.569 1.00 44.63 C ATOM 1062 N ARG B 46 -17.605 -11.033 77.439 1.00 51.94 N ATOM 1063 CA ARG B 46 -18.687 -11.444 78.327 1.00 54.86 C ATOM 1064 C ARG B 46 -18.240 -12.664 79.132 1.00 56.89 C ATOM 1065 O ARG B 46 -18.983 -13.628 79.332 1.00 56.10 O ATOM 1066 CB ARG B 46 -19.937 -11.738 77.506 1.00 55.03 C ATOM 1067 CG ARG B 46 -20.398 -10.525 76.728 1.00 54.74 C ATOM 1068 CD ARG B 46 -21.124 -10.938 75.468 1.00 55.77 C ATOM 1069 NE ARG B 46 -21.374 -9.804 74.583 1.00 55.60 N ATOM 1070 CZ ARG B 46 -21.731 -9.927 73.311 1.00 55.85 C ATOM 1071 NH1 ARG B 46 -21.875 -11.134 72.783 1.00 55.68 N ATOM 1072 NH2 ARG B 46 -21.948 -8.851 72.568 1.00 56.43 N ATOM 1073 N ARG B 47 -17.001 -12.533 79.563 1.00 58.97 N ATOM 1074 CA ARG B 47 -16.331 -13.551 80.354 1.00 60.47 C ATOM 1075 C ARG B 47 -14.873 -13.110 80.520 1.00 60.26 C ATOM 1076 O ARG B 47 -14.135 -12.955 79.545 1.00 58.65 O ATOM 1077 CB ARG B 47 -16.388 -14.902 79.650 1.00 61.91 C ATOM 1078 CG ARG B 47 -15.770 -16.015 80.464 1.00 66.13 C ATOM 1079 CD ARG B 47 -16.537 -16.225 81.761 1.00 69.24 C ATOM 1080 NE ARG B 47 -15.785 -17.032 82.724 1.00 71.48 N ATOM 1081 CZ ARG B 47 -14.718 -16.602 83.387 1.00 72.85 C ATOM 1082 NH1 ARG B 47 -14.267 -15.369 83.201 1.00 73.46 N ATOM 1083 NH2 ARG B 47 -14.106 -17.403 84.246 1.00 73.29 N ATOM 1084 N SER B 52 -10.095 -9.464 79.008 1.00 41.32 N ATOM 1085 CA SER B 52 -10.255 -8.010 79.030 1.00 42.55 C ATOM 1086 C SER B 52 -9.356 -7.321 80.062 1.00 42.49 C ATOM 1087 O SER B 52 -9.244 -6.096 80.082 1.00 41.98 O ATOM 1088 CB SER B 52 -11.710 -7.636 79.291 1.00 42.83 C ATOM 1089 OG SER B 52 -11.864 -6.231 79.252 1.00 43.63 O ATOM 1090 N ASP B 53 -8.740 -8.113 80.934 1.00 42.74 N ATOM 1091 CA ASP B 53 -7.810 -7.585 81.928 1.00 41.78 C ATOM 1092 C ASP B 53 -6.405 -8.021 81.485 1.00 39.71 C ATOM 1093 O ASP B 53 -5.405 -7.662 82.093 1.00 39.42 O ATOM 1094 CB ASP B 53 -8.109 -8.153 83.325 1.00 44.32 C ATOM 1095 CG ASP B 53 -9.391 -7.593 83.941 1.00 47.56 C ATOM 1096 OD1 ASP B 53 -9.785 -8.075 85.031 1.00 49.87 O ATOM 1097 OD2 ASP B 53 -10.005 -6.675 83.355 1.00 47.99 O ATOM 1098 N ASN B 54 -6.342 -8.795 80.409 1.00 37.47 N ATOM 1099 CA ASN B 54 -5.076 -9.291 79.888 1.00 35.86 C ATOM 1100 C ASN B 54 -4.114 -8.187 79.436 1.00 34.05 C ATOM 1101 O ASN B 54 -2.908 -8.289 79.631 1.00 34.14 O ATOM 1102 CB ASN B 54 -5.339 -10.256 78.721 1.00 35.64 C ATOM 1103 CG ASN B 54 -4.082 -10.976 78.258 1.00 34.93 C ATOM 1104 OD1 ASN B 54 -3.358 -11.547 79.069 1.00 35.45 O ATOM 1105 ND2 ASN B 54 -3.828 -10.966 76.954 1.00 34.70 N ATOM 1106 N PRO B 55 -4.635 -7.121 78.812 1.00 33.09 N ATOM 1107 CA PRO B 55 -3.740 -6.050 78.367 1.00 32.16 C ATOM 1108 C PRO B 55 -2.869 -5.441 79.467 1.00 31.34 C ATOM 1109 O PRO B 55 -1.648 -5.462 79.364 1.00 33.62 O ATOM 1110 CB PRO B 55 -4.700 -5.033 77.755 1.00 30.82 C ATOM 1111 CG PRO B 55 -5.784 -5.883 77.224 1.00 30.00 C ATOM 1112 CD PRO B 55 -6.008 -6.885 78.330 1.00 30.96 C ATOM 1113 N VAL B 56 -3.483 -4.906 80.516 1.00 31.13 N ATOM 1114 CA VAL B 56 -2.720 -4.284 81.596 1.00 30.96 C ATOM 1115 C VAL B 56 -1.631 -5.162 82.168 1.00 31.40 C ATOM 1116 O VAL B 56 -0.534 -4.676 82.405 1.00 30.75 O ATOM 1117 CB VAL B 56 -3.615 -3.859 82.767 1.00 29.09 C ATOM 1118 CG1 VAL B 56 -4.659 -2.857 82.290 1.00 30.34 C ATOM 1119 CG2 VAL B 56 -4.280 -5.065 83.367 1.00 27.36 C HETATM 1120 N MSE B 57 -1.944 -6.437 82.403 1.00 32.70 N HETATM 1121 CA MSE B 57 -0.985 -7.389 82.963 1.00 34.30 C HETATM 1122 C MSE B 57 0.182 -7.620 82.027 1.00 32.90 C HETATM 1123 O MSE B 57 1.346 -7.643 82.441 1.00 30.83 O HETATM 1124 CB MSE B 57 -1.662 -8.730 83.267 1.00 39.41 C HETATM 1125 CG MSE B 57 -2.586 -8.677 84.485 1.00 47.94 C HETATM 1126 SE MSE B 57 -3.176 -10.411 85.134 1.00 61.18 HETATM 1127 CE MSE B 57 -4.747 -10.620 83.972 1.00 55.10 C ATOM 1128 N ILE B 58 -0.136 -7.809 80.758 1.00 30.22 N ATOM 1129 CA ILE B 58 0.891 -8.020 79.779 1.00 28.14 C ATOM 1130 C ILE B 58 1.748 -6.770 79.781 1.00 26.65 C ATOM 1131 O ILE B 58 2.962 -6.862 79.909 1.00 25.82 O ATOM 1132 CB ILE B 58 0.272 -8.263 78.392 1.00 28.44 C ATOM 1133 CG1 ILE B 58 -0.631 -9.501 78.441 1.00 28.39 C ATOM 1134 CG2 ILE B 58 1.366 -8.424 77.340 1.00 28.59 C ATOM 1135 CD1 ILE B 58 0.051 -10.764 78.953 1.00 26.83 C ATOM 1136 N ALA B 59 1.114 -5.605 79.665 1.00 26.22 N ATOM 1137 CA ALA B 59 1.838 -4.337 79.658 1.00 25.53 C ATOM 1138 C ALA B 59 2.804 -4.312 80.837 1.00 26.37 C ATOM 1139 O ALA B 59 3.925 -3.855 80.703 1.00 27.16 O ATOM 1140 CB ALA B 59 0.868 -3.177 79.732 1.00 23.04 C ATOM 1141 N GLU B 60 2.377 -4.832 81.982 1.00 27.08 N ATOM 1142 CA GLU B 60 3.231 -4.868 83.153 1.00 27.38 C ATOM 1143 C GLU B 60 4.361 -5.858 82.954 1.00 28.56 C ATOM 1144 O GLU B 60 5.498 -5.595 83.338 1.00 29.18 O ATOM 1145 CB GLU B 60 2.440 -5.281 84.389 1.00 27.27 C ATOM 1146 CG GLU B 60 2.502 -4.300 85.550 1.00 28.84 C ATOM 1147 CD GLU B 60 3.918 -3.943 85.972 1.00 29.74 C ATOM 1148 OE1 GLU B 60 4.216 -2.733 86.073 1.00 32.01 O ATOM 1149 OE2 GLU B 60 4.733 -4.856 86.211 1.00 29.12 O ATOM 1150 N LEU B 61 4.051 -7.009 82.367 1.00 30.18 N ATOM 1151 CA LEU B 61 5.069 -8.045 82.141 1.00 30.67 C ATOM 1152 C LEU B 61 6.250 -7.550 81.311 1.00 31.49 C ATOM 1153 O LEU B 61 7.411 -7.688 81.708 1.00 31.49 O ATOM 1154 CB LEU B 61 4.452 -9.266 81.444 1.00 28.88 C ATOM 1155 CG LEU B 61 4.359 -10.544 82.274 1.00 26.76 C ATOM 1156 CD1 LEU B 61 3.996 -11.694 81.366 1.00 26.79 C ATOM 1157 CD2 LEU B 61 5.663 -10.812 82.957 1.00 28.01 C ATOM 1158 N LEU B 62 5.933 -6.991 80.150 1.00 31.64 N ATOM 1159 CA LEU B 62 6.934 -6.464 79.240 1.00 32.25 C ATOM 1160 C LEU B 62 7.779 -5.451 80.000 1.00 32.59 C ATOM 1161 O LEU B 62 9.001 -5.441 79.901 1.00 31.35 O ATOM 1162 CB LEU B 62 6.247 -5.792 78.046 1.00 31.38 C ATOM 1163 CG LEU B 62 5.240 -6.595 77.221 1.00 29.29 C ATOM 1164 CD1 LEU B 62 4.793 -5.739 76.067 1.00 30.32 C ATOM 1165 CD2 LEU B 62 5.853 -7.890 76.733 1.00 27.79 C ATOM 1166 N ARG B 63 7.111 -4.614 80.780 1.00 34.13 N ATOM 1167 CA ARG B 63 7.784 -3.598 81.574 1.00 35.87 C ATOM 1168 C ARG B 63 8.816 -4.262 82.484 1.00 36.17 C ATOM 1169 O ARG B 63 9.906 -3.727 82.678 1.00 37.37 O ATOM 1170 CB ARG B 63 6.744 -2.842 82.399 1.00 37.30 C ATOM 1171 CG ARG B 63 6.976 -1.346 82.558 1.00 40.03 C ATOM 1172 CD ARG B 63 5.763 -0.677 83.231 1.00 40.09 C ATOM 1173 NE ARG B 63 4.657 -0.454 82.297 1.00 42.42 N ATOM 1174 CZ ARG B 63 3.409 -0.881 82.480 1.00 43.34 C ATOM 1175 NH1 ARG B 63 3.099 -1.572 83.573 1.00 43.14 N ATOM 1176 NH2 ARG B 63 2.465 -0.595 81.583 1.00 42.59 N ATOM 1177 N GLU B 64 8.489 -5.442 83.011 1.00 36.18 N ATOM 1178 CA GLU B 64 9.400 -6.138 83.908 1.00 35.87 C ATOM 1179 C GLU B 64 10.464 -6.915 83.150 1.00 36.14 C ATOM 1180 O GLU B 64 11.261 -7.645 83.736 1.00 35.17 O ATOM 1181 CB GLU B 64 8.612 -7.051 84.861 1.00 34.81 C ATOM 1182 CG GLU B 64 7.315 -6.417 85.364 1.00 35.58 C ATOM 1183 CD GLU B 64 7.015 -6.645 86.855 1.00 35.37 C ATOM 1184 OE1 GLU B 64 7.209 -7.762 87.373 1.00 33.94 O ATOM 1185 OE2 GLU B 64 6.555 -5.686 87.506 1.00 34.93 O ATOM 1186 N PHE B 65 10.472 -6.755 81.833 1.00 37.36 N ATOM 1187 CA PHE B 65 11.471 -7.422 81.004 1.00 37.55 C ATOM 1188 C PHE B 65 12.021 -6.464 79.964 1.00 39.26 C ATOM 1189 O PHE B 65 11.722 -6.571 78.787 1.00 39.27 O ATOM 1190 CB PHE B 65 10.887 -8.642 80.317 1.00 35.31 C ATOM 1191 CG PHE B 65 10.768 -9.825 81.207 1.00 33.40 C ATOM 1192 CD1 PHE B 65 9.773 -9.899 82.172 1.00 34.37 C ATOM 1193 CD2 PHE B 65 11.652 -10.871 81.085 1.00 32.24 C ATOM 1194 CE1 PHE B 65 9.673 -11.003 83.007 1.00 33.55 C ATOM 1195 CE2 PHE B 65 11.561 -11.969 81.909 1.00 32.94 C ATOM 1196 CZ PHE B 65 10.568 -12.038 82.873 1.00 33.14 C ATOM 1197 N PRO B 66 12.840 -5.499 80.406 1.00 42.16 N ATOM 1198 CA PRO B 66 13.462 -4.491 79.549 1.00 42.22 C ATOM 1199 C PRO B 66 14.470 -5.037 78.548 1.00 42.60 C ATOM 1200 O PRO B 66 14.893 -4.314 77.650 1.00 43.59 O ATOM 1201 CB PRO B 66 14.125 -3.558 80.554 1.00 42.80 C ATOM 1202 CG PRO B 66 13.245 -3.666 81.749 1.00 42.95 C ATOM 1203 CD PRO B 66 13.033 -5.146 81.825 1.00 42.51 C ATOM 1204 N GLN B 67 14.869 -6.295 78.702 1.00 42.61 N ATOM 1205 CA GLN B 67 15.844 -6.874 77.784 1.00 42.13 C ATOM 1206 C GLN B 67 15.460 -6.676 76.318 1.00 42.10 C ATOM 1207 O GLN B 67 16.206 -6.058 75.575 1.00 43.07 O ATOM 1208 CB GLN B 67 16.023 -8.362 78.056 1.00 41.20 C ATOM 1209 CG GLN B 67 16.289 -8.673 79.490 1.00 40.56 C ATOM 1210 CD GLN B 67 15.025 -8.950 80.251 1.00 40.93 C ATOM 1211 OE1 GLN B 67 14.164 -8.084 80.367 1.00 40.20 O ATOM 1212 NE2 GLN B 67 14.898 -10.173 80.777 1.00 40.98 N ATOM 1213 N PHE B 68 14.299 -7.188 75.915 1.00 42.27 N ATOM 1214 CA PHE B 68 13.835 -7.070 74.536 1.00 43.25 C ATOM 1215 C PHE B 68 13.011 -5.817 74.305 1.00 43.42 C ATOM 1216 O PHE B 68 12.381 -5.313 75.238 1.00 45.24 O ATOM 1217 CB PHE B 68 12.961 -8.256 74.181 1.00 42.59 C ATOM 1218 CG PHE B 68 13.451 -9.542 74.735 1.00 41.94 C ATOM 1219 CD1 PHE B 68 13.205 -9.876 76.057 1.00 41.05 C ATOM 1220 CD2 PHE B 68 14.154 -10.431 73.929 1.00 42.30 C ATOM 1221 CE1 PHE B 68 13.651 -11.083 76.569 1.00 42.59 C ATOM 1222 CE2 PHE B 68 14.608 -11.644 74.425 1.00 42.37 C ATOM 1223 CZ PHE B 68 14.357 -11.976 75.746 1.00 42.83 C ATOM 1224 N ASP B 69 13.002 -5.313 73.069 1.00 42.55 N ATOM 1225 CA ASP B 69 12.184 -4.140 72.766 1.00 41.73 C ATOM 1226 C ASP B 69 10.907 -4.730 72.206 1.00 39.45 C ATOM 1227 O ASP B 69 10.568 -4.528 71.047 1.00 39.14 O ATOM 1228 CB ASP B 69 12.823 -3.225 71.716 1.00 42.41 C ATOM 1229 CG ASP B 69 12.323 -1.781 71.823 1.00 44.97 C ATOM 1230 OD1 ASP B 69 11.087 -1.575 71.964 1.00 44.97 O ATOM 1231 OD2 ASP B 69 13.170 -0.856 71.767 1.00 46.08 O ATOM 1232 N TRP B 70 10.216 -5.481 73.052 1.00 36.95 N ATOM 1233 CA TRP B 70 8.987 -6.140 72.672 1.00 34.58 C ATOM 1234 C TRP B 70 8.049 -5.278 71.845 1.00 33.85 C ATOM 1235 O TRP B 70 7.887 -4.082 72.099 1.00 33.45 O ATOM 1236 CB TRP B 70 8.220 -6.592 73.909 1.00 31.89 C ATOM 1237 CG TRP B 70 8.976 -7.411 74.864 1.00 28.74 C ATOM 1238 CD1 TRP B 70 9.622 -6.975 75.979 1.00 27.18 C ATOM 1239 CD2 TRP B 70 9.073 -8.832 74.870 1.00 26.74 C ATOM 1240 NE1 TRP B 70 10.103 -8.039 76.688 1.00 26.90 N ATOM 1241 CE2 TRP B 70 9.776 -9.194 76.028 1.00 26.50 C ATOM 1242 CE3 TRP B 70 8.626 -9.837 74.009 1.00 26.38 C ATOM 1243 CZ2 TRP B 70 10.043 -10.521 76.353 1.00 26.28 C ATOM 1244 CZ3 TRP B 70 8.891 -11.157 74.329 1.00 25.82 C ATOM 1245 CH2 TRP B 70 9.593 -11.487 75.493 1.00 26.41 C ATOM 1246 N GLN B 71 7.434 -5.902 70.851 1.00 31.97 N ATOM 1247 CA GLN B 71 6.448 -5.229 70.030 1.00 31.54 C ATOM 1248 C GLN B 71 5.161 -5.950 70.417 1.00 29.73 C ATOM 1249 O GLN B 71 5.206 -7.069 70.940 1.00 29.05 O ATOM 1250 CB GLN B 71 6.747 -5.418 68.536 1.00 33.24 C ATOM 1251 CG GLN B 71 8.016 -4.715 68.033 1.00 35.47 C ATOM 1252 CD GLN B 71 7.771 -3.303 67.515 1.00 36.33 C ATOM 1253 OE1 GLN B 71 7.292 -3.118 66.395 1.00 36.13 O ATOM 1254 NE2 GLN B 71 8.111 -2.300 68.328 1.00 37.20 N ATOM 1255 N VAL B 72 4.019 -5.323 70.188 1.00 27.88 N ATOM 1256 CA VAL B 72 2.770 -5.970 70.541 1.00 27.43 C ATOM 1257 C VAL B 72 1.760 -5.936 69.411 1.00 25.58 C ATOM 1258 O VAL B 72 1.596 -4.928 68.729 1.00 24.42 O ATOM 1259 CB VAL B 72 2.155 -5.335 71.804 1.00 27.62 C ATOM 1260 CG1 VAL B 72 0.902 -6.087 72.207 1.00 28.62 C ATOM 1261 CG2 VAL B 72 3.181 -5.373 72.941 1.00 28.33 C ATOM 1262 N ALA B 73 1.099 -7.067 69.218 1.00 25.46 N ATOM 1263 CA ALA B 73 0.090 -7.220 68.188 1.00 25.23 C ATOM 1264 C ALA B 73 -1.138 -7.867 68.828 1.00 25.05 C ATOM 1265 O ALA B 73 -1.032 -8.610 69.806 1.00 25.63 O ATOM 1266 CB ALA B 73 0.621 -8.079 67.064 1.00 22.56 C ATOM 1267 N VAL B 74 -2.296 -7.592 68.251 1.00 24.94 N ATOM 1268 CA VAL B 74 -3.551 -8.087 68.771 1.00 24.92 C ATOM 1269 C VAL B 74 -4.377 -8.698 67.659 1.00 24.61 C ATOM 1270 O VAL B 74 -4.210 -8.349 66.491 1.00 24.68 O ATOM 1271 CB VAL B 74 -4.322 -6.929 69.398 1.00 25.03 C ATOM 1272 CG1 VAL B 74 -5.568 -7.434 70.105 1.00 28.67 C ATOM 1273 CG2 VAL B 74 -3.421 -6.202 70.370 1.00 26.22 C ATOM 1274 N ALA B 75 -5.262 -9.618 68.026 1.00 24.09 N ATOM 1275 CA ALA B 75 -6.125 -10.284 67.057 1.00 25.02 C ATOM 1276 C ALA B 75 -7.577 -10.151 67.506 1.00 24.71 C ATOM 1277 O ALA B 75 -7.890 -10.373 68.675 1.00 24.26 O ATOM 1278 CB ALA B 75 -5.738 -11.753 66.943 1.00 23.04 C ATOM 1279 N ASP B 76 -8.456 -9.768 66.583 1.00 25.58 N ATOM 1280 CA ASP B 76 -9.873 -9.616 66.898 1.00 28.06 C ATOM 1281 C ASP B 76 -10.474 -10.980 67.284 1.00 30.28 C ATOM 1282 O ASP B 76 -9.749 -11.962 67.392 1.00 32.38 O ATOM 1283 CB ASP B 76 -10.623 -9.042 65.699 1.00 27.55 C ATOM 1284 CG ASP B 76 -10.813 -10.050 64.601 1.00 26.56 C ATOM 1285 OD1 ASP B 76 -9.829 -10.482 63.984 1.00 27.67 O ATOM 1286 OD2 ASP B 76 -11.963 -10.425 64.363 1.00 28.84 O ATOM 1287 N LEU B 77 -11.787 -11.051 67.486 1.00 31.13 N ATOM 1288 CA LEU B 77 -12.442 -12.304 67.867 1.00 31.36 C ATOM 1289 C LEU B 77 -12.258 -13.478 66.921 1.00 32.53 C ATOM 1290 O LEU B 77 -11.976 -14.587 67.358 1.00 33.17 O ATOM 1291 CB LEU B 77 -13.935 -12.080 68.061 1.00 30.86 C ATOM 1292 CG LEU B 77 -14.309 -11.150 69.205 1.00 30.77 C ATOM 1293 CD1 LEU B 77 -15.802 -10.939 69.233 1.00 31.56 C ATOM 1294 CD2 LEU B 77 -13.813 -11.758 70.507 1.00 31.53 C ATOM 1295 N GLU B 78 -12.451 -13.264 65.628 1.00 34.10 N ATOM 1296 CA GLU B 78 -12.292 -14.363 64.688 1.00 33.00 C ATOM 1297 C GLU B 78 -10.843 -14.815 64.620 1.00 31.81 C ATOM 1298 O GLU B 78 -10.550 -15.957 64.917 1.00 30.06 O ATOM 1299 CB GLU B 78 -12.779 -13.953 63.303 1.00 34.79 C ATOM 1300 CG GLU B 78 -14.284 -14.061 63.124 1.00 41.28 C ATOM 1301 CD GLU B 78 -14.982 -12.705 63.057 1.00 45.66 C ATOM 1302 OE1 GLU B 78 -14.977 -11.978 64.084 1.00 47.65 O ATOM 1303 OE2 GLU B 78 -15.532 -12.368 61.975 1.00 46.50 O ATOM 1304 N GLN B 79 -9.939 -13.903 64.263 1.00 31.82 N ATOM 1305 CA GLN B 79 -8.519 -14.208 64.139 1.00 30.01 C ATOM 1306 C GLN B 79 -7.872 -14.742 65.401 1.00 30.85 C ATOM 1307 O GLN B 79 -6.721 -15.158 65.369 1.00 32.07 O ATOM 1308 CB GLN B 79 -7.765 -12.972 63.674 1.00 27.71 C ATOM 1309 CG GLN B 79 -8.295 -12.417 62.378 1.00 27.97 C ATOM 1310 CD GLN B 79 -8.531 -13.510 61.345 1.00 27.77 C ATOM 1311 OE1 GLN B 79 -7.593 -14.179 60.869 1.00 26.00 O ATOM 1312 NE2 GLN B 79 -9.796 -13.712 61.007 1.00 26.92 N ATOM 1313 N SER B 80 -8.589 -14.702 66.516 1.00 32.22 N ATOM 1314 CA SER B 80 -8.064 -15.222 67.767 1.00 33.84 C ATOM 1315 C SER B 80 -8.403 -16.708 67.779 1.00 36.31 C ATOM 1316 O SER B 80 -7.672 -17.525 68.335 1.00 35.79 O ATOM 1317 CB SER B 80 -8.717 -14.517 68.956 1.00 32.35 C ATOM 1318 OG SER B 80 -7.870 -13.507 69.465 1.00 32.55 O ATOM 1319 N GLU B 81 -9.529 -17.041 67.154 1.00 38.31 N ATOM 1320 CA GLU B 81 -9.982 -18.417 67.042 1.00 39.21 C ATOM 1321 C GLU B 81 -8.943 -19.128 66.200 1.00 36.58 C ATOM 1322 O GLU B 81 -8.323 -20.086 66.637 1.00 36.96 O ATOM 1323 CB GLU B 81 -11.326 -18.456 66.321 1.00 43.97 C ATOM 1324 CG GLU B 81 -11.937 -19.836 66.173 1.00 51.75 C ATOM 1325 CD GLU B 81 -12.975 -19.889 65.061 1.00 56.81 C ATOM 1326 OE1 GLU B 81 -13.690 -20.920 64.953 1.00 59.11 O ATOM 1327 OE2 GLU B 81 -13.068 -18.900 64.287 1.00 58.63 O ATOM 1328 N ALA B 82 -8.756 -18.628 64.989 1.00 34.24 N ATOM 1329 CA ALA B 82 -7.794 -19.182 64.058 1.00 33.44 C ATOM 1330 C ALA B 82 -6.418 -19.220 64.707 1.00 34.08 C ATOM 1331 O ALA B 82 -5.843 -20.289 64.874 1.00 37.73 O ATOM 1332 CB ALA B 82 -7.755 -18.338 62.807 1.00 33.23 C ATOM 1333 N ILE B 83 -5.874 -18.053 65.045 1.00 32.59 N ATOM 1334 CA ILE B 83 -4.568 -17.965 65.715 1.00 30.90 C ATOM 1335 C ILE B 83 -4.810 -18.515 67.122 1.00 32.39 C ATOM 1336 O ILE B 83 -5.113 -17.770 68.050 1.00 34.11 O ATOM 1337 CB ILE B 83 -4.114 -16.494 65.846 1.00 27.92 C ATOM 1338 CG1 ILE B 83 -3.995 -15.873 64.462 1.00 26.60 C ATOM 1339 CG2 ILE B 83 -2.814 -16.399 66.606 1.00 24.82 C ATOM 1340 CD1 ILE B 83 -3.863 -14.362 64.483 1.00 23.88 C ATOM 1341 N GLY B 84 -4.700 -19.820 67.271 1.00 32.07 N ATOM 1342 CA GLY B 84 -4.937 -20.420 68.559 1.00 33.75 C ATOM 1343 C GLY B 84 -4.799 -21.901 68.326 1.00 35.00 C ATOM 1344 O GLY B 84 -3.975 -22.560 68.952 1.00 35.30 O ATOM 1345 N ASP B 85 -5.592 -22.435 67.406 1.00 35.23 N ATOM 1346 CA ASP B 85 -5.466 -23.844 67.122 1.00 35.60 C ATOM 1347 C ASP B 85 -4.031 -23.980 66.656 1.00 35.03 C ATOM 1348 O ASP B 85 -3.260 -24.765 67.210 1.00 36.79 O ATOM 1349 CB ASP B 85 -6.396 -24.284 65.999 1.00 37.59 C ATOM 1350 CG ASP B 85 -7.809 -23.802 66.189 1.00 38.96 C ATOM 1351 OD1 ASP B 85 -8.398 -24.058 67.258 1.00 41.25 O ATOM 1352 OD2 ASP B 85 -8.339 -23.168 65.255 1.00 39.72 O ATOM 1353 N ARG B 86 -3.660 -23.193 65.650 1.00 31.97 N ATOM 1354 CA ARG B 86 -2.300 -23.244 65.112 1.00 30.45 C ATOM 1355 C ARG B 86 -1.253 -23.395 66.204 1.00 30.70 C ATOM 1356 O ARG B 86 -0.259 -24.107 66.030 1.00 30.39 O ATOM 1357 CB ARG B 86 -2.001 -21.989 64.292 1.00 28.03 C ATOM 1358 CG ARG B 86 -0.544 -21.867 63.900 1.00 25.44 C ATOM 1359 CD ARG B 86 -0.298 -20.601 63.076 1.00 23.21 C ATOM 1360 NE ARG B 86 1.101 -20.520 62.647 1.00 21.72 N ATOM 1361 CZ ARG B 86 1.595 -19.573 61.858 1.00 21.34 C ATOM 1362 NH1 ARG B 86 0.798 -18.608 61.403 1.00 22.16 N ATOM 1363 NH2 ARG B 86 2.881 -19.593 61.525 1.00 19.28 N ATOM 1364 N PHE B 87 -1.494 -22.728 67.331 1.00 30.54 N ATOM 1365 CA PHE B 87 -0.583 -22.763 68.472 1.00 29.66 C ATOM 1366 C PHE B 87 -1.149 -23.574 69.620 1.00 30.59 C ATOM 1367 O PHE B 87 -0.724 -23.430 70.767 1.00 30.06 O ATOM 1368 CB PHE B 87 -0.313 -21.347 68.932 1.00 28.00 C ATOM 1369 CG PHE B 87 0.421 -20.529 67.932 1.00 26.56 C ATOM 1370 CD1 PHE B 87 1.803 -20.570 67.881 1.00 25.44 C ATOM 1371 CD2 PHE B 87 -0.267 -19.705 67.038 1.00 27.37 C ATOM 1372 CE1 PHE B 87 2.504 -19.797 66.958 1.00 25.82 C ATOM 1373 CE2 PHE B 87 0.422 -18.921 66.101 1.00 25.56 C ATOM 1374 CZ PHE B 87 1.812 -18.965 66.061 1.00 25.28 C ATOM 1375 N ASN B 88 -2.120 -24.420 69.291 1.00 31.64 N ATOM 1376 CA ASN B 88 -2.789 -25.287 70.256 1.00 32.78 C ATOM 1377 C ASN B 88 -3.297 -24.552 71.481 1.00 32.83 C ATOM 1378 O ASN B 88 -3.182 -25.066 72.584 1.00 33.81 O ATOM 1379 CB ASN B 88 -1.835 -26.394 70.705 1.00 33.13 C ATOM 1380 CG ASN B 88 -2.395 -27.770 70.472 1.00 31.77 C ATOM 1381 OD1 ASN B 88 -1.773 -28.610 69.798 1.00 29.96 O ATOM 1382 ND2 ASN B 88 -3.584 -28.017 71.021 1.00 30.72 N ATOM 1383 N VAL B 89 -3.848 -23.357 71.288 1.00 34.96 N ATOM 1384 CA VAL B 89 -4.386 -22.561 72.388 1.00 37.66 C ATOM 1385 C VAL B 89 -5.862 -22.809 72.606 1.00 38.78 C ATOM 1386 O VAL B 89 -6.679 -22.320 71.839 1.00 40.04 O ATOM 1387 CB VAL B 89 -4.222 -21.057 72.136 1.00 38.24 C ATOM 1388 CG1 VAL B 89 -4.912 -20.276 73.250 1.00 38.72 C ATOM 1389 CG2 VAL B 89 -2.731 -20.691 72.086 1.00 38.74 C ATOM 1390 N ARG B 90 -6.202 -23.552 73.656 1.00 41.40 N ATOM 1391 CA ARG B 90 -7.600 -23.849 73.964 1.00 42.97 C ATOM 1392 C ARG B 90 -8.188 -22.885 74.985 1.00 40.97 C ATOM 1393 O ARG B 90 -9.404 -22.781 75.104 1.00 40.96 O ATOM 1394 CB ARG B 90 -7.750 -25.285 74.500 1.00 48.46 C ATOM 1395 CG ARG B 90 -7.618 -26.399 73.444 1.00 55.55 C ATOM 1396 CD ARG B 90 -6.178 -26.600 72.976 1.00 60.54 C ATOM 1397 NE ARG B 90 -5.404 -27.438 73.891 1.00 65.19 N ATOM 1398 CZ ARG B 90 -5.579 -28.751 74.044 1.00 67.94 C ATOM 1399 NH1 ARG B 90 -6.506 -29.388 73.343 1.00 69.67 N ATOM 1400 NH2 ARG B 90 -4.824 -29.432 74.897 1.00 68.92 N ATOM 1401 N ARG B 91 -7.338 -22.187 75.732 1.00 38.65 N ATOM 1402 CA ARG B 91 -7.849 -21.261 76.735 1.00 36.38 C ATOM 1403 C ARG B 91 -7.517 -19.809 76.449 1.00 32.88 C ATOM 1404 O ARG B 91 -6.421 -19.479 76.005 1.00 31.69 O ATOM 1405 CB ARG B 91 -7.327 -21.633 78.119 1.00 38.69 C ATOM 1406 CG ARG B 91 -7.839 -22.965 78.654 1.00 43.11 C ATOM 1407 CD ARG B 91 -6.987 -23.403 79.829 1.00 46.47 C ATOM 1408 NE ARG B 91 -5.577 -23.472 79.442 1.00 47.97 N ATOM 1409 CZ ARG B 91 -4.575 -22.953 80.147 1.00 48.37 C ATOM 1410 NH1 ARG B 91 -4.816 -22.322 81.291 1.00 47.69 N ATOM 1411 NH2 ARG B 91 -3.335 -23.056 79.693 1.00 48.02 N ATOM 1412 N PHE B 92 -8.487 -18.946 76.708 1.00 29.15 N ATOM 1413 CA PHE B 92 -8.321 -17.525 76.500 1.00 27.00 C ATOM 1414 C PHE B 92 -8.618 -16.824 77.799 1.00 25.29 C ATOM 1415 O PHE B 92 -9.417 -17.312 78.599 1.00 24.47 O ATOM 1416 CB PHE B 92 -9.277 -17.039 75.433 1.00 26.56 C ATOM 1417 CG PHE B 92 -9.060 -17.691 74.108 1.00 29.29 C ATOM 1418 CD1 PHE B 92 -7.863 -17.494 73.412 1.00 29.56 C ATOM 1419 CD2 PHE B 92 -10.040 -18.506 73.553 1.00 28.95 C ATOM 1420 CE1 PHE B 92 -7.648 -18.095 72.189 1.00 30.93 C ATOM 1421 CE2 PHE B 92 -9.837 -19.110 72.335 1.00 30.81 C ATOM 1422 CZ PHE B 92 -8.636 -18.905 71.645 1.00 31.86 C ATOM 1423 N PRO B 93 -8.005 -15.653 78.030 1.00 24.46 N ATOM 1424 CA PRO B 93 -7.061 -14.899 77.203 1.00 23.72 C ATOM 1425 C PRO B 93 -5.758 -15.638 77.062 1.00 22.72 C ATOM 1426 O PRO B 93 -5.355 -16.358 77.968 1.00 23.64 O ATOM 1427 CB PRO B 93 -6.871 -13.615 77.994 1.00 23.23 C ATOM 1428 CG PRO B 93 -8.122 -13.493 78.772 1.00 23.80 C ATOM 1429 CD PRO B 93 -8.337 -14.884 79.239 1.00 24.53 C ATOM 1430 N ALA B 94 -5.087 -15.445 75.941 1.00 21.89 N ATOM 1431 CA ALA B 94 -3.820 -16.121 75.736 1.00 23.23 C ATOM 1432 C ALA B 94 -2.809 -15.155 75.165 1.00 22.90 C ATOM 1433 O ALA B 94 -3.173 -14.123 74.620 1.00 25.33 O ATOM 1434 CB ALA B 94 -4.004 -17.313 74.795 1.00 23.51 C ATOM 1435 N THR B 95 -1.538 -15.487 75.287 1.00 22.21 N ATOM 1436 CA THR B 95 -0.504 -14.612 74.770 1.00 23.28 C ATOM 1437 C THR B 95 0.659 -15.404 74.183 1.00 23.13 C ATOM 1438 O THR B 95 1.215 -16.271 74.840 1.00 22.02 O ATOM 1439 CB THR B 95 0.012 -13.690 75.882 1.00 24.30 C ATOM 1440 OG1 THR B 95 -1.080 -12.921 76.418 1.00 24.74 O ATOM 1441 CG2 THR B 95 1.077 -12.751 75.324 1.00 24.02 C ATOM 1442 N LEU B 96 1.011 -15.125 72.938 1.00 23.68 N ATOM 1443 CA LEU B 96 2.109 -15.836 72.303 1.00 26.97 C ATOM 1444 C LEU B 96 3.374 -14.994 72.440 1.00 29.16 C ATOM 1445 O LEU B 96 3.360 -13.800 72.140 1.00 30.09 O ATOM 1446 CB LEU B 96 1.783 -16.081 70.831 1.00 24.57 C ATOM 1447 CG LEU B 96 0.363 -16.622 70.591 1.00 22.72 C ATOM 1448 CD1 LEU B 96 -0.010 -16.468 69.113 1.00 22.67 C ATOM 1449 CD2 LEU B 96 0.258 -18.066 71.038 1.00 18.83 C ATOM 1450 N VAL B 97 4.461 -15.603 72.904 1.00 30.75 N ATOM 1451 CA VAL B 97 5.704 -14.866 73.076 1.00 33.47 C ATOM 1452 C VAL B 97 6.724 -15.193 72.012 1.00 35.22 C ATOM 1453 O VAL B 97 7.171 -16.331 71.901 1.00 33.33 O ATOM 1454 CB VAL B 97 6.361 -15.145 74.430 1.00 34.07 C ATOM 1455 CG1 VAL B 97 7.623 -14.304 74.559 1.00 33.06 C ATOM 1456 CG2 VAL B 97 5.388 -14.843 75.563 1.00 34.56 C ATOM 1457 N PHE B 98 7.112 -14.176 71.251 1.00 38.39 N ATOM 1458 CA PHE B 98 8.089 -14.356 70.191 1.00 41.70 C ATOM 1459 C PHE B 98 9.393 -13.609 70.405 1.00 43.06 C ATOM 1460 O PHE B 98 9.428 -12.493 70.925 1.00 43.66 O ATOM 1461 CB PHE B 98 7.523 -13.912 68.849 1.00 42.13 C ATOM 1462 CG PHE B 98 6.395 -14.756 68.345 1.00 43.57 C ATOM 1463 CD1 PHE B 98 5.093 -14.529 68.767 1.00 44.42 C ATOM 1464 CD2 PHE B 98 6.628 -15.750 67.406 1.00 44.53 C ATOM 1465 CE1 PHE B 98 4.042 -15.275 68.254 1.00 44.97 C ATOM 1466 CE2 PHE B 98 5.584 -16.502 66.887 1.00 45.17 C ATOM 1467 CZ PHE B 98 4.291 -16.262 67.313 1.00 45.73 C ATOM 1468 N THR B 99 10.516 -14.432 70.229 1.00 46.01 N ATOM 1469 CA THR B 99 11.667 -13.717 70.429 1.00 48.26 C ATOM 1470 C THR B 99 12.618 -14.234 69.485 1.00 49.18 C ATOM 1471 O THR B 99 13.486 -15.087 69.651 1.00 50.93 O ATOM 1472 CB THR B 99 12.198 -13.795 71.810 1.00 47.75 C ATOM 1473 OG1 THR B 99 11.246 -13.277 72.740 1.00 45.51 O ATOM 1474 CG2 THR B 99 13.486 -13.010 71.926 1.00 48.18 C ATOM 1475 N ASP B 100 12.245 -13.528 68.436 1.00 50.79 N ATOM 1476 CA ASP B 100 12.755 -13.533 67.147 1.00 50.39 C ATOM 1477 C ASP B 100 11.923 -14.510 66.250 1.00 49.55 C ATOM 1478 O ASP B 100 12.298 -14.705 65.084 1.00 49.11 O ATOM 1479 CB ASP B 100 14.244 -13.935 67.300 1.00 50.87 C ATOM 1480 CG ASP B 100 15.016 -13.931 66.016 1.00 52.43 C ATOM 1481 OD1 ASP B 100 14.399 -14.257 64.976 1.00 53.92 O ATOM 1482 OD2 ASP B 100 16.219 -13.596 66.048 1.00 54.69 O ATOM 1483 N GLY B 101 10.845 -15.164 66.725 1.00 48.50 N ATOM 1484 CA GLY B 101 10.146 -16.270 66.013 1.00 47.90 C ATOM 1485 C GLY B 101 10.443 -17.652 66.738 1.00 48.45 C ATOM 1486 O GLY B 101 11.258 -18.436 66.268 1.00 50.08 O ATOM 1487 N ALA B 106 4.240 -19.640 74.833 1.00 23.57 N ATOM 1488 CA ALA B 106 2.816 -19.296 74.814 1.00 23.66 C ATOM 1489 C ALA B 106 2.121 -19.329 76.185 1.00 22.16 C ATOM 1490 O ALA B 106 2.110 -20.357 76.845 1.00 21.91 O ATOM 1491 CB ALA B 106 2.075 -20.222 73.835 1.00 24.13 C ATOM 1492 N LEU B 107 1.552 -18.192 76.585 1.00 21.97 N ATOM 1493 CA LEU B 107 0.822 -18.025 77.844 1.00 23.02 C ATOM 1494 C LEU B 107 -0.678 -18.200 77.544 1.00 24.20 C ATOM 1495 O LEU B 107 -1.210 -17.529 76.654 1.00 23.50 O ATOM 1496 CB LEU B 107 1.055 -16.614 78.420 1.00 21.03 C ATOM 1497 CG LEU B 107 2.480 -16.155 78.731 1.00 21.23 C ATOM 1498 CD1 LEU B 107 2.526 -14.665 78.998 1.00 19.32 C ATOM 1499 CD2 LEU B 107 3.005 -16.926 79.925 1.00 21.58 C ATOM 1500 N SER B 108 -1.359 -19.074 78.281 1.00 24.87 N ATOM 1501 CA SER B 108 -2.777 -19.306 78.027 1.00 26.51 C ATOM 1502 C SER B 108 -3.590 -19.458 79.303 1.00 26.96 C ATOM 1503 O SER B 108 -3.123 -20.033 80.284 1.00 24.78 O ATOM 1504 CB SER B 108 -2.966 -20.567 77.166 1.00 26.22 C ATOM 1505 OG SER B 108 -2.361 -20.440 75.889 1.00 26.82 O ATOM 1506 N GLY B 109 -4.820 -18.954 79.279 1.00 28.41 N ATOM 1507 CA GLY B 109 -5.682 -19.054 80.445 1.00 30.65 C ATOM 1508 C GLY B 109 -5.556 -17.888 81.410 1.00 32.45 C ATOM 1509 O GLY B 109 -4.806 -16.938 81.163 1.00 32.29 O ATOM 1510 N ILE B 110 -6.298 -17.962 82.512 1.00 33.55 N ATOM 1511 CA ILE B 110 -6.285 -16.917 83.531 1.00 33.75 C ATOM 1512 C ILE B 110 -5.358 -17.303 84.674 1.00 32.13 C ATOM 1513 O ILE B 110 -5.477 -18.383 85.250 1.00 31.59 O ATOM 1514 CB ILE B 110 -7.731 -16.618 84.074 1.00 34.83 C ATOM 1515 CG1 ILE B 110 -7.661 -15.649 85.254 1.00 37.69 C ATOM 1516 CG2 ILE B 110 -8.424 -17.896 84.489 1.00 36.87 C ATOM 1517 CD1 ILE B 110 -9.015 -15.366 85.898 1.00 40.01 C ATOM 1518 N HIS B 111 -4.421 -16.407 84.979 1.00 31.71 N ATOM 1519 CA HIS B 111 -3.440 -16.632 86.037 1.00 30.69 C ATOM 1520 C HIS B 111 -3.224 -15.396 86.890 1.00 30.68 C ATOM 1521 O HIS B 111 -3.186 -14.281 86.368 1.00 32.54 O ATOM 1522 CB HIS B 111 -2.088 -17.007 85.440 1.00 28.70 C ATOM 1523 CG HIS B 111 -2.128 -18.190 84.535 1.00 26.28 C ATOM 1524 ND1 HIS B 111 -1.776 -18.116 83.203 1.00 26.09 N ATOM 1525 CD2 HIS B 111 -2.469 -19.478 84.764 1.00 24.92 C ATOM 1526 CE1 HIS B 111 -1.899 -19.307 82.653 1.00 26.11 C ATOM 1527 NE2 HIS B 111 -2.320 -20.153 83.580 1.00 26.09 N ATOM 1528 N PRO B 112 -3.075 -15.575 88.211 1.00 28.65 N ATOM 1529 CA PRO B 112 -2.848 -14.453 89.113 1.00 29.26 C ATOM 1530 C PRO B 112 -1.485 -13.854 88.771 1.00 29.49 C ATOM 1531 O PRO B 112 -0.590 -14.574 88.318 1.00 30.63 O ATOM 1532 CB PRO B 112 -2.843 -15.117 90.478 1.00 28.25 C ATOM 1533 CG PRO B 112 -3.716 -16.285 90.278 1.00 28.31 C ATOM 1534 CD PRO B 112 -3.249 -16.811 88.977 1.00 27.80 C ATOM 1535 N TRP B 113 -1.313 -12.556 88.996 1.00 28.71 N ATOM 1536 CA TRP B 113 -0.041 -11.928 88.673 1.00 28.46 C ATOM 1537 C TRP B 113 1.167 -12.823 88.932 1.00 28.96 C ATOM 1538 O TRP B 113 1.988 -13.022 88.047 1.00 29.95 O ATOM 1539 CB TRP B 113 0.151 -10.612 89.427 1.00 26.48 C ATOM 1540 CG TRP B 113 1.597 -10.161 89.389 1.00 24.66 C ATOM 1541 CD1 TRP B 113 2.512 -10.260 90.401 1.00 24.58 C ATOM 1542 CD2 TRP B 113 2.301 -9.605 88.273 1.00 22.00 C ATOM 1543 NE1 TRP B 113 3.730 -9.802 89.983 1.00 23.33 N ATOM 1544 CE2 TRP B 113 3.629 -9.394 88.682 1.00 21.46 C ATOM 1545 CE3 TRP B 113 1.938 -9.267 86.966 1.00 21.11 C ATOM 1546 CZ2 TRP B 113 4.597 -8.855 87.833 1.00 21.09 C ATOM 1547 CZ3 TRP B 113 2.906 -8.733 86.122 1.00 19.73 C ATOM 1548 CH2 TRP B 113 4.215 -8.532 86.561 1.00 19.84 C ATOM 1549 N ALA B 114 1.280 -13.372 90.134 1.00 29.23 N ATOM 1550 CA ALA B 114 2.427 -14.214 90.446 1.00 28.30 C ATOM 1551 C ALA B 114 2.656 -15.315 89.409 1.00 27.68 C ATOM 1552 O ALA B 114 3.743 -15.445 88.846 1.00 27.38 O ATOM 1553 CB ALA B 114 2.270 -14.814 91.837 1.00 25.71 C ATOM 1554 N GLU B 115 1.621 -16.096 89.149 1.00 28.73 N ATOM 1555 CA GLU B 115 1.700 -17.210 88.210 1.00 29.91 C ATOM 1556 C GLU B 115 2.183 -16.757 86.834 1.00 29.38 C ATOM 1557 O GLU B 115 3.117 -17.324 86.270 1.00 30.07 O ATOM 1558 CB GLU B 115 0.312 -17.852 88.128 1.00 29.05 C ATOM 1559 CG GLU B 115 0.233 -19.234 87.536 1.00 29.96 C ATOM 1560 CD GLU B 115 -0.876 -20.042 88.199 1.00 31.37 C ATOM 1561 OE1 GLU B 115 -0.657 -20.505 89.341 1.00 33.55 O ATOM 1562 OE2 GLU B 115 -1.967 -20.203 87.607 1.00 28.38 O ATOM 1563 N LEU B 116 1.531 -15.726 86.308 1.00 28.41 N ATOM 1564 CA LEU B 116 1.870 -15.177 85.009 1.00 27.44 C ATOM 1565 C LEU B 116 3.377 -14.895 84.898 1.00 27.74 C ATOM 1566 O LEU B 116 4.025 -15.294 83.936 1.00 28.19 O ATOM 1567 CB LEU B 116 1.085 -13.884 84.779 1.00 24.74 C ATOM 1568 CG LEU B 116 1.051 -13.353 83.355 1.00 24.17 C ATOM 1569 CD1 LEU B 116 0.345 -14.362 82.479 1.00 23.07 C ATOM 1570 CD2 LEU B 116 0.323 -12.029 83.322 1.00 24.70 C ATOM 1571 N LEU B 117 3.937 -14.227 85.899 1.00 27.38 N ATOM 1572 CA LEU B 117 5.351 -13.880 85.878 1.00 27.25 C ATOM 1573 C LEU B 117 6.282 -15.072 85.739 1.00 27.68 C ATOM 1574 O LEU B 117 7.240 -15.042 84.966 1.00 27.66 O ATOM 1575 CB LEU B 117 5.717 -13.089 87.131 1.00 25.66 C ATOM 1576 CG LEU B 117 7.160 -12.599 87.232 1.00 24.34 C ATOM 1577 CD1 LEU B 117 7.572 -11.882 85.957 1.00 23.68 C ATOM 1578 CD2 LEU B 117 7.269 -11.668 88.424 1.00 25.10 C ATOM 1579 N THR B 118 5.991 -16.119 86.492 1.00 28.44 N ATOM 1580 CA THR B 118 6.783 -17.332 86.482 1.00 29.62 C ATOM 1581 C THR B 118 6.688 -17.998 85.120 1.00 31.63 C ATOM 1582 O THR B 118 7.663 -18.550 84.598 1.00 31.47 O ATOM 1583 CB THR B 118 6.273 -18.267 87.573 1.00 29.98 C ATOM 1584 OG1 THR B 118 6.437 -17.631 88.853 1.00 27.17 O ATOM 1585 CG2 THR B 118 7.007 -19.582 87.541 1.00 30.04 C ATOM 1586 N LEU B 119 5.507 -17.930 84.525 1.00 33.37 N ATOM 1587 CA LEU B 119 5.323 -18.525 83.215 1.00 34.39 C ATOM 1588 C LEU B 119 6.137 -17.784 82.166 1.00 34.82 C ATOM 1589 O LEU B 119 6.741 -18.412 81.306 1.00 34.93 O ATOM 1590 CB LEU B 119 3.848 -18.514 82.828 1.00 33.27 C ATOM 1591 CG LEU B 119 2.943 -19.440 83.630 1.00 33.32 C ATOM 1592 CD1 LEU B 119 1.530 -19.122 83.250 1.00 34.53 C ATOM 1593 CD2 LEU B 119 3.272 -20.909 83.378 1.00 29.80 C HETATM 1594 N MSE B 120 6.158 -16.455 82.241 1.00 36.38 N HETATM 1595 CA MSE B 120 6.893 -15.639 81.276 1.00 38.73 C HETATM 1596 C MSE B 120 8.377 -15.691 81.579 1.00 39.52 C HETATM 1597 O MSE B 120 9.219 -15.491 80.703 1.00 37.33 O HETATM 1598 CB MSE B 120 6.404 -14.190 81.322 1.00 39.46 C HETATM 1599 CG MSE B 120 7.012 -13.254 80.271 1.00 41.59 C HETATM 1600 SE MSE B 120 6.420 -13.565 78.420 1.00 43.49 HETATM 1601 CE MSE B 120 7.895 -14.669 77.839 1.00 45.11 C ATOM 1602 N ARG B 121 8.696 -15.962 82.835 1.00 40.26 N ATOM 1603 CA ARG B 121 10.083 -16.052 83.237 1.00 41.06 C ATOM 1604 C ARG B 121 10.645 -17.366 82.696 1.00 40.72 C ATOM 1605 O ARG B 121 11.822 -17.454 82.368 1.00 41.59 O ATOM 1606 CB ARG B 121 10.177 -15.985 84.758 1.00 41.74 C ATOM 1607 CG ARG B 121 11.560 -15.683 85.277 1.00 44.38 C ATOM 1608 CD ARG B 121 11.542 -15.446 86.802 1.00 46.69 C ATOM 1609 NE ARG B 121 10.971 -14.159 87.213 1.00 47.44 N ATOM 1610 CZ ARG B 121 11.494 -12.970 86.924 1.00 47.88 C ATOM 1611 NH1 ARG B 121 12.605 -12.871 86.208 1.00 48.27 N ATOM 1612 NH2 ARG B 121 10.916 -11.873 87.379 1.00 49.32 N ATOM 1613 N SER B 122 9.791 -18.379 82.582 1.00 40.41 N ATOM 1614 CA SER B 122 10.205 -19.683 82.061 1.00 39.03 C ATOM 1615 C SER B 122 10.394 -19.634 80.562 1.00 38.73 C ATOM 1616 O SER B 122 11.324 -20.231 80.028 1.00 39.11 O ATOM 1617 CB SER B 122 9.162 -20.743 82.376 1.00 38.63 C ATOM 1618 OG SER B 122 9.532 -21.986 81.822 1.00 39.85 O ATOM 1619 N ILE B 123 9.500 -18.930 79.882 1.00 38.13 N ATOM 1620 CA ILE B 123 9.585 -18.808 78.439 1.00 38.04 C ATOM 1621 C ILE B 123 10.869 -18.083 78.033 1.00 37.98 C ATOM 1622 O ILE B 123 11.564 -18.501 77.112 1.00 37.68 O ATOM 1623 CB ILE B 123 8.375 -18.043 77.882 1.00 36.93 C ATOM 1624 CG1 ILE B 123 7.080 -18.793 78.202 1.00 37.65 C ATOM 1625 CG2 ILE B 123 8.513 -17.878 76.399 1.00 36.39 C ATOM 1626 CD1 ILE B 123 5.825 -18.109 77.677 1.00 35.50 C ATOM 1627 N VAL B 124 11.187 -17.004 78.735 1.00 39.97 N ATOM 1628 CA VAL B 124 12.377 -16.219 78.437 1.00 42.38 C ATOM 1629 C VAL B 124 13.671 -16.986 78.712 1.00 44.98 C ATOM 1630 O VAL B 124 14.551 -17.044 77.848 1.00 46.53 O ATOM 1631 CB VAL B 124 12.368 -14.901 79.239 1.00 40.55 C ATOM 1632 CG1 VAL B 124 13.661 -14.175 79.065 1.00 40.14 C ATOM 1633 CG2 VAL B 124 11.223 -14.030 78.777 1.00 39.12 C ATOM 1634 N ASP B 125 13.784 -17.585 79.897 1.00 46.88 N ATOM 1635 CA ASP B 125 14.989 -18.339 80.255 1.00 49.10 C ATOM 1636 C ASP B 125 14.985 -19.785 79.730 1.00 49.98 C ATOM 1637 O ASP B 125 13.950 -20.227 79.197 1.00 50.85 O ATOM 1638 CB ASP B 125 15.171 -18.352 81.780 1.00 49.26 C ATOM 1639 CG ASP B 125 15.117 -16.957 82.396 1.00 51.13 C ATOM 1640 OD1 ASP B 125 15.545 -15.993 81.721 1.00 52.89 O ATOM 1641 OD2 ASP B 125 14.660 -16.825 83.561 1.00 49.74 O TER 1643 ASP B 125 ATOM 1643 N PHE C 7 11.551 -1.016 50.091 1.00 32.79 N ATOM 1644 CA PHE C 7 10.255 -0.776 49.392 1.00 32.50 C ATOM 1645 C PHE C 7 9.822 -1.942 48.516 1.00 32.72 C ATOM 1646 O PHE C 7 8.628 -2.205 48.350 1.00 31.83 O ATOM 1647 CB PHE C 7 10.346 0.471 48.531 1.00 32.32 C ATOM 1648 CG PHE C 7 9.053 0.830 47.880 1.00 33.79 C ATOM 1649 CD1 PHE C 7 7.999 1.339 48.630 1.00 33.13 C ATOM 1650 CD2 PHE C 7 8.870 0.622 46.520 1.00 34.45 C ATOM 1651 CE1 PHE C 7 6.782 1.628 48.031 1.00 34.24 C ATOM 1652 CE2 PHE C 7 7.656 0.910 45.916 1.00 35.34 C ATOM 1653 CZ PHE C 7 6.610 1.414 46.670 1.00 33.75 C ATOM 1654 N SER C 8 10.805 -2.627 47.947 1.00 34.79 N ATOM 1655 CA SER C 8 10.564 -3.779 47.093 1.00 35.07 C ATOM 1656 C SER C 8 9.704 -4.810 47.847 1.00 34.21 C ATOM 1657 O SER C 8 8.682 -5.280 47.337 1.00 34.58 O ATOM 1658 CB SER C 8 11.920 -4.378 46.678 1.00 38.77 C ATOM 1659 OG SER C 8 11.780 -5.630 46.011 1.00 44.86 O ATOM 1660 N ALA C 9 10.106 -5.153 49.066 1.00 32.92 N ATOM 1661 CA ALA C 9 9.333 -6.118 49.838 1.00 31.52 C ATOM 1662 C ALA C 9 7.942 -5.579 50.166 1.00 29.95 C ATOM 1663 O ALA C 9 6.956 -6.329 50.150 1.00 30.61 O ATOM 1664 CB ALA C 9 10.069 -6.495 51.120 1.00 31.62 C ATOM 1665 N LEU C 10 7.865 -4.282 50.459 1.00 27.09 N ATOM 1666 CA LEU C 10 6.588 -3.644 50.787 1.00 25.44 C ATOM 1667 C LEU C 10 5.665 -3.676 49.590 1.00 25.49 C ATOM 1668 O LEU C 10 4.493 -4.036 49.713 1.00 24.13 O ATOM 1669 CB LEU C 10 6.805 -2.195 51.239 1.00 24.01 C ATOM 1670 CG LEU C 10 5.588 -1.279 51.375 1.00 21.61 C ATOM 1671 CD1 LEU C 10 4.512 -1.894 52.247 1.00 21.63 C ATOM 1672 CD2 LEU C 10 6.054 0.036 51.953 1.00 21.44 C ATOM 1673 N TRP C 11 6.208 -3.315 48.432 1.00 23.81 N ATOM 1674 CA TRP C 11 5.439 -3.307 47.205 1.00 24.60 C ATOM 1675 C TRP C 11 4.825 -4.698 46.992 1.00 26.03 C ATOM 1676 O TRP C 11 3.603 -4.838 46.833 1.00 27.25 O ATOM 1677 CB TRP C 11 6.360 -2.915 46.042 1.00 25.15 C ATOM 1678 CG TRP C 11 5.676 -2.688 44.698 1.00 26.46 C ATOM 1679 CD1 TRP C 11 6.009 -3.269 43.504 1.00 25.66 C ATOM 1680 CD2 TRP C 11 4.567 -1.819 44.419 1.00 26.55 C ATOM 1681 NE1 TRP C 11 5.181 -2.820 42.509 1.00 25.44 N ATOM 1682 CE2 TRP C 11 4.287 -1.930 43.043 1.00 26.90 C ATOM 1683 CE3 TRP C 11 3.784 -0.959 45.198 1.00 27.21 C ATOM 1684 CZ2 TRP C 11 3.258 -1.216 42.432 1.00 26.91 C ATOM 1685 CZ3 TRP C 11 2.764 -0.252 44.589 1.00 26.72 C ATOM 1686 CH2 TRP C 11 2.509 -0.385 43.220 1.00 27.01 C ATOM 1687 N GLN C 12 5.661 -5.736 47.023 1.00 26.43 N ATOM 1688 CA GLN C 12 5.173 -7.105 46.806 1.00 25.80 C ATOM 1689 C GLN C 12 4.131 -7.555 47.820 1.00 26.29 C ATOM 1690 O GLN C 12 3.234 -8.346 47.502 1.00 27.77 O ATOM 1691 CB GLN C 12 6.343 -8.099 46.790 1.00 23.98 C ATOM 1692 CG GLN C 12 7.277 -7.943 45.589 1.00 20.17 C ATOM 1693 CD GLN C 12 6.543 -7.968 44.275 1.00 17.83 C ATOM 1694 OE1 GLN C 12 5.790 -8.901 43.997 1.00 15.67 O ATOM 1695 NE2 GLN C 12 6.759 -6.943 43.447 1.00 16.85 N ATOM 1696 N ARG C 13 4.254 -7.057 49.044 1.00 27.13 N ATOM 1697 CA ARG C 13 3.303 -7.398 50.099 1.00 27.63 C ATOM 1698 C ARG C 13 1.940 -6.770 49.783 1.00 27.61 C ATOM 1699 O ARG C 13 0.891 -7.339 50.080 1.00 26.06 O ATOM 1700 CB ARG C 13 3.815 -6.880 51.447 1.00 28.56 C ATOM 1701 CG ARG C 13 4.847 -7.761 52.127 1.00 31.62 C ATOM 1702 CD ARG C 13 5.498 -7.039 53.319 1.00 32.75 C ATOM 1703 NE ARG C 13 4.510 -6.410 54.195 1.00 34.80 N ATOM 1704 CZ ARG C 13 4.772 -5.383 54.998 1.00 35.24 C ATOM 1705 NH1 ARG C 13 5.990 -4.871 55.030 1.00 35.31 N ATOM 1706 NH2 ARG C 13 3.823 -4.868 55.770 1.00 34.24 N ATOM 1707 N LEU C 14 1.974 -5.587 49.173 1.00 27.84 N ATOM 1708 CA LEU C 14 0.756 -4.876 48.822 1.00 27.11 C ATOM 1709 C LEU C 14 0.038 -5.560 47.667 1.00 27.31 C ATOM 1710 O LEU C 14 -1.201 -5.633 47.645 1.00 27.12 O ATOM 1711 CB LEU C 14 1.082 -3.428 48.467 1.00 26.48 C ATOM 1712 CG LEU C 14 1.572 -2.566 49.641 1.00 26.56 C ATOM 1713 CD1 LEU C 14 2.254 -1.301 49.112 1.00 25.81 C ATOM 1714 CD2 LEU C 14 0.394 -2.201 50.535 1.00 26.19 C ATOM 1715 N LEU C 15 0.807 -6.065 46.706 1.00 26.76 N ATOM 1716 CA LEU C 15 0.197 -6.757 45.564 1.00 26.65 C ATOM 1717 C LEU C 15 -0.257 -8.156 45.966 1.00 26.68 C ATOM 1718 O LEU C 15 -1.276 -8.644 45.479 1.00 28.03 O ATOM 1719 CB LEU C 15 1.164 -6.844 44.386 1.00 24.44 C ATOM 1720 CG LEU C 15 1.467 -5.501 43.740 1.00 23.85 C ATOM 1721 CD1 LEU C 15 2.537 -5.679 42.697 1.00 23.76 C ATOM 1722 CD2 LEU C 15 0.204 -4.936 43.155 1.00 20.48 C ATOM 1723 N THR C 16 0.489 -8.794 46.864 1.00 26.29 N ATOM 1724 CA THR C 16 0.114 -10.123 47.327 1.00 26.13 C ATOM 1725 C THR C 16 -1.230 -10.019 48.042 1.00 26.39 C ATOM 1726 O THR C 16 -1.882 -11.030 48.297 1.00 27.67 O ATOM 1727 CB THR C 16 1.155 -10.711 48.309 1.00 25.20 C ATOM 1728 OG1 THR C 16 2.434 -10.786 47.673 1.00 27.52 O ATOM 1729 CG2 THR C 16 0.754 -12.099 48.739 1.00 23.63 C ATOM 1730 N ARG C 17 -1.634 -8.788 48.354 1.00 26.48 N ATOM 1731 CA ARG C 17 -2.900 -8.518 49.033 1.00 26.06 C ATOM 1732 C ARG C 17 -3.996 -8.455 47.987 1.00 25.87 C ATOM 1733 O ARG C 17 -5.184 -8.437 48.314 1.00 25.31 O ATOM 1734 CB ARG C 17 -2.853 -7.172 49.779 1.00 26.96 C ATOM 1735 CG ARG C 17 -2.120 -7.158 51.115 1.00 28.15 C ATOM 1736 CD ARG C 17 -2.225 -5.797 51.812 1.00 28.38 C ATOM 1737 NE ARG C 17 -1.558 -5.803 53.121 1.00 30.18 N ATOM 1738 CZ ARG C 17 -2.164 -5.978 54.297 1.00 30.04 C ATOM 1739 NH1 ARG C 17 -3.481 -6.156 54.355 1.00 28.54 N ATOM 1740 NH2 ARG C 17 -1.440 -5.984 55.416 1.00 29.52 N ATOM 1741 N GLY C 18 -3.593 -8.406 46.721 1.00 25.14 N ATOM 1742 CA GLY C 18 -4.572 -8.339 45.652 1.00 26.77 C ATOM 1743 C GLY C 18 -4.888 -6.918 45.221 1.00 29.04 C ATOM 1744 O GLY C 18 -5.544 -6.703 44.208 1.00 28.98 O ATOM 1745 N TRP C 19 -4.420 -5.945 45.999 1.00 31.11 N ATOM 1746 CA TRP C 19 -4.632 -4.532 45.710 1.00 32.22 C ATOM 1747 C TRP C 19 -4.040 -4.158 44.358 1.00 33.09 C ATOM 1748 O TRP C 19 -2.907 -4.529 44.047 1.00 34.71 O ATOM 1749 CB TRP C 19 -3.991 -3.703 46.812 1.00 33.92 C ATOM 1750 CG TRP C 19 -4.624 -3.937 48.141 1.00 34.35 C ATOM 1751 CD1 TRP C 19 -5.846 -4.487 48.367 1.00 34.73 C ATOM 1752 CD2 TRP C 19 -4.132 -3.510 49.420 1.00 34.41 C ATOM 1753 NE1 TRP C 19 -6.154 -4.421 49.701 1.00 37.00 N ATOM 1754 CE2 TRP C 19 -5.117 -3.825 50.369 1.00 35.91 C ATOM 1755 CE3 TRP C 19 -2.958 -2.885 49.850 1.00 34.74 C ATOM 1756 CZ2 TRP C 19 -4.965 -3.537 51.729 1.00 37.08 C ATOM 1757 CZ3 TRP C 19 -2.807 -2.598 51.197 1.00 35.88 C ATOM 1758 CH2 TRP C 19 -3.804 -2.923 52.120 1.00 36.35 C ATOM 1759 N GLN C 20 -4.793 -3.414 43.554 1.00 33.35 N ATOM 1760 CA GLN C 20 -4.318 -3.048 42.219 1.00 31.89 C ATOM 1761 C GLN C 20 -3.510 -1.764 42.143 1.00 29.57 C ATOM 1762 O GLN C 20 -3.845 -0.765 42.770 1.00 27.67 O ATOM 1763 CB GLN C 20 -5.495 -2.973 41.240 1.00 32.81 C ATOM 1764 CG GLN C 20 -6.281 -4.277 41.085 1.00 34.25 C ATOM 1765 CD GLN C 20 -5.398 -5.476 40.739 1.00 35.38 C ATOM 1766 OE1 GLN C 20 -4.523 -5.394 39.877 1.00 37.40 O ATOM 1767 NE2 GLN C 20 -5.635 -6.597 41.405 1.00 34.85 N ATOM 1768 N PRO C 21 -2.430 -1.785 41.357 1.00 27.27 N ATOM 1769 CA PRO C 21 -1.513 -0.664 41.138 1.00 26.40 C ATOM 1770 C PRO C 21 -2.151 0.388 40.234 1.00 26.48 C ATOM 1771 O PRO C 21 -2.895 0.051 39.318 1.00 27.21 O ATOM 1772 CB PRO C 21 -0.318 -1.321 40.457 1.00 26.86 C ATOM 1773 CG PRO C 21 -0.443 -2.779 40.833 1.00 28.07 C ATOM 1774 CD PRO C 21 -1.914 -3.008 40.738 1.00 26.56 C ATOM 1775 N VAL C 22 -1.866 1.660 40.486 1.00 25.68 N ATOM 1776 CA VAL C 22 -2.419 2.718 39.660 1.00 24.64 C ATOM 1777 C VAL C 22 -1.360 3.722 39.334 1.00 25.47 C ATOM 1778 O VAL C 22 -0.695 4.224 40.227 1.00 26.58 O ATOM 1779 CB VAL C 22 -3.573 3.484 40.347 1.00 24.42 C ATOM 1780 CG1 VAL C 22 -4.765 2.564 40.577 1.00 21.94 C ATOM 1781 CG2 VAL C 22 -3.087 4.101 41.629 1.00 22.86 C ATOM 1782 N GLU C 23 -1.200 4.000 38.047 1.00 27.55 N ATOM 1783 CA GLU C 23 -0.232 4.984 37.578 1.00 29.59 C ATOM 1784 C GLU C 23 -0.978 6.296 37.692 1.00 30.12 C ATOM 1785 O GLU C 23 -2.085 6.321 38.221 1.00 30.64 O ATOM 1786 CB GLU C 23 0.111 4.731 36.108 1.00 31.34 C ATOM 1787 CG GLU C 23 1.262 3.789 35.869 1.00 35.12 C ATOM 1788 CD GLU C 23 0.946 2.361 36.270 1.00 38.56 C ATOM 1789 OE1 GLU C 23 -0.048 1.798 35.758 1.00 39.94 O ATOM 1790 OE2 GLU C 23 1.698 1.794 37.095 1.00 40.36 O ATOM 1791 N ALA C 24 -0.400 7.386 37.198 1.00 30.53 N ATOM 1792 CA ALA C 24 -1.105 8.664 37.248 1.00 30.97 C ATOM 1793 C ALA C 24 -2.310 8.575 36.289 1.00 31.72 C ATOM 1794 O ALA C 24 -2.671 9.550 35.633 1.00 31.95 O ATOM 1795 CB ALA C 24 -0.167 9.796 36.844 1.00 29.78 C ATOM 1796 N SER C 25 -2.918 7.385 36.214 1.00 32.98 N ATOM 1797 CA SER C 25 -4.080 7.125 35.343 1.00 31.83 C ATOM 1798 C SER C 25 -4.947 5.959 35.854 1.00 31.73 C ATOM 1799 O SER C 25 -5.627 6.051 36.878 1.00 30.63 O ATOM 1800 CB SER C 25 -3.607 6.788 33.931 1.00 28.42 C ATOM 1801 OG SER C 25 -2.588 7.681 33.547 1.00 24.51 O ATOM 1802 N VAL C 34 -14.758 5.145 39.153 1.00 43.28 N ATOM 1803 CA VAL C 34 -14.018 4.226 40.007 1.00 42.93 C ATOM 1804 C VAL C 34 -14.956 3.449 40.950 1.00 44.01 C ATOM 1805 O VAL C 34 -15.032 2.216 40.884 1.00 45.24 O ATOM 1806 CB VAL C 34 -12.880 4.979 40.803 1.00 41.22 C ATOM 1807 CG1 VAL C 34 -11.589 4.965 39.990 1.00 39.00 C ATOM 1808 CG2 VAL C 34 -13.268 6.439 41.071 1.00 37.67 C ATOM 1809 N GLY C 35 -15.687 4.161 41.803 1.00 43.89 N ATOM 1810 CA GLY C 35 -16.598 3.496 42.720 1.00 42.69 C ATOM 1811 C GLY C 35 -16.188 3.701 44.160 1.00 41.88 C ATOM 1812 O GLY C 35 -15.735 4.781 44.525 1.00 41.59 O ATOM 1813 N ASP C 36 -16.360 2.670 44.981 1.00 41.27 N ATOM 1814 CA ASP C 36 -15.987 2.742 46.385 1.00 40.85 C ATOM 1815 C ASP C 36 -14.611 2.117 46.549 1.00 40.06 C ATOM 1816 O ASP C 36 -14.456 0.896 46.478 1.00 41.15 O ATOM 1817 CB ASP C 36 -17.003 1.992 47.249 1.00 43.57 C ATOM 1818 CG ASP C 36 -18.393 2.622 47.201 1.00 47.06 C ATOM 1819 OD1 ASP C 36 -18.486 3.867 47.297 1.00 47.39 O ATOM 1820 OD2 ASP C 36 -19.394 1.875 47.086 1.00 49.10 O ATOM 1821 N GLY C 37 -13.606 2.955 46.779 1.00 37.75 N ATOM 1822 CA GLY C 37 -12.244 2.457 46.939 1.00 34.49 C ATOM 1823 C GLY C 37 -11.307 3.477 47.573 1.00 32.56 C ATOM 1824 O GLY C 37 -11.618 4.670 47.649 1.00 30.76 O ATOM 1825 N VAL C 38 -10.148 3.011 48.016 1.00 29.91 N ATOM 1826 CA VAL C 38 -9.195 3.891 48.665 1.00 27.38 C ATOM 1827 C VAL C 38 -7.815 3.705 48.038 1.00 26.23 C ATOM 1828 O VAL C 38 -7.468 2.595 47.621 1.00 27.05 O ATOM 1829 CB VAL C 38 -9.180 3.581 50.164 1.00 28.25 C ATOM 1830 CG1 VAL C 38 -8.158 2.507 50.476 1.00 31.45 C ATOM 1831 CG2 VAL C 38 -8.970 4.837 50.954 1.00 30.36 C ATOM 1832 N ILE C 39 -7.035 4.780 47.939 1.00 24.59 N ATOM 1833 CA ILE C 39 -5.699 4.695 47.316 1.00 23.23 C ATOM 1834 C ILE C 39 -4.565 4.986 48.309 1.00 21.76 C ATOM 1835 O ILE C 39 -4.550 6.031 48.954 1.00 21.36 O ATOM 1836 CB ILE C 39 -5.555 5.694 46.098 1.00 22.64 C ATOM 1837 CG1 ILE C 39 -6.629 5.430 45.045 1.00 19.84 C ATOM 1838 CG2 ILE C 39 -4.205 5.506 45.407 1.00 21.15 C ATOM 1839 CD1 ILE C 39 -6.485 6.321 43.822 1.00 17.74 C ATOM 1840 N LEU C 40 -3.612 4.070 48.409 1.00 20.24 N ATOM 1841 CA LEU C 40 -2.488 4.244 49.315 1.00 20.50 C ATOM 1842 C LEU C 40 -1.255 4.745 48.599 1.00 20.40 C ATOM 1843 O LEU C 40 -0.767 4.092 47.678 1.00 20.79 O ATOM 1844 CB LEU C 40 -2.105 2.929 49.988 1.00 19.21 C ATOM 1845 CG LEU C 40 -3.206 2.089 50.579 1.00 19.17 C ATOM 1846 CD1 LEU C 40 -2.575 0.967 51.297 1.00 17.48 C ATOM 1847 CD2 LEU C 40 -4.089 2.929 51.502 1.00 23.03 C ATOM 1848 N LEU C 41 -0.741 5.887 49.035 1.00 20.45 N ATOM 1849 CA LEU C 41 0.455 6.457 48.441 1.00 21.21 C ATOM 1850 C LEU C 41 1.566 6.198 49.428 1.00 21.84 C ATOM 1851 O LEU C 41 1.406 6.435 50.623 1.00 23.04 O ATOM 1852 CB LEU C 41 0.305 7.968 48.245 1.00 19.56 C ATOM 1853 CG LEU C 41 -0.875 8.460 47.414 1.00 17.36 C ATOM 1854 CD1 LEU C 41 -0.920 9.938 47.475 1.00 16.19 C ATOM 1855 CD2 LEU C 41 -0.760 7.959 45.981 1.00 17.53 C ATOM 1856 N SER C 42 2.694 5.729 48.918 1.00 23.81 N ATOM 1857 CA SER C 42 3.855 5.415 49.736 1.00 24.39 C ATOM 1858 C SER C 42 5.101 6.265 49.474 1.00 26.42 C ATOM 1859 O SER C 42 5.331 6.758 48.370 1.00 26.62 O ATOM 1860 CB SER C 42 4.201 3.948 49.539 1.00 22.44 C ATOM 1861 OG SER C 42 3.330 3.138 50.293 1.00 20.80 O ATOM 1862 N SER C 43 5.908 6.411 50.512 1.00 29.32 N ATOM 1863 CA SER C 43 7.134 7.169 50.431 1.00 32.24 C ATOM 1864 C SER C 43 8.211 6.158 50.727 1.00 34.45 C ATOM 1865 O SER C 43 7.913 5.124 51.315 1.00 33.84 O ATOM 1866 CB SER C 43 7.127 8.256 51.488 1.00 33.60 C ATOM 1867 OG SER C 43 8.327 8.992 51.453 1.00 40.10 O ATOM 1868 N ASP C 44 9.449 6.431 50.319 1.00 36.87 N ATOM 1869 CA ASP C 44 10.543 5.487 50.569 1.00 39.97 C ATOM 1870 C ASP C 44 10.559 5.005 52.020 1.00 42.36 C ATOM 1871 O ASP C 44 10.718 5.796 52.950 1.00 42.78 O ATOM 1872 CB ASP C 44 11.896 6.114 50.213 1.00 40.30 C ATOM 1873 CG ASP C 44 13.043 5.119 50.306 1.00 41.16 C ATOM 1874 OD1 ASP C 44 12.781 3.898 50.247 1.00 42.81 O ATOM 1875 OD2 ASP C 44 14.212 5.548 50.425 1.00 42.45 O ATOM 1876 N PRO C 45 10.393 3.688 52.225 1.00 46.28 N ATOM 1877 CA PRO C 45 10.372 3.022 53.533 1.00 48.70 C ATOM 1878 C PRO C 45 11.492 3.403 54.517 1.00 51.18 C ATOM 1879 O PRO C 45 11.345 3.211 55.724 1.00 52.34 O ATOM 1880 CB PRO C 45 10.406 1.538 53.163 1.00 48.39 C ATOM 1881 CG PRO C 45 9.624 1.517 51.901 1.00 48.56 C ATOM 1882 CD PRO C 45 10.185 2.703 51.150 1.00 46.71 C ATOM 1883 N ARG C 46 12.604 3.939 54.020 1.00 53.19 N ATOM 1884 CA ARG C 46 13.699 4.326 54.905 1.00 54.72 C ATOM 1885 C ARG C 46 13.260 5.525 55.724 1.00 56.55 C ATOM 1886 O ARG C 46 14.006 6.483 55.910 1.00 55.98 O ATOM 1887 CB ARG C 46 14.946 4.644 54.089 1.00 54.05 C ATOM 1888 CG ARG C 46 15.427 3.449 53.292 1.00 54.92 C ATOM 1889 CD ARG C 46 16.085 3.886 52.003 1.00 56.79 C ATOM 1890 NE ARG C 46 16.327 2.760 51.104 1.00 57.86 N ATOM 1891 CZ ARG C 46 16.650 2.891 49.822 1.00 58.42 C ATOM 1892 NH1 ARG C 46 16.766 4.104 49.288 1.00 58.35 N ATOM 1893 NH2 ARG C 46 16.861 1.808 49.081 1.00 58.60 N ATOM 1894 N ARG C 47 12.008 5.418 56.142 1.00 58.85 N ATOM 1895 CA ARG C 47 11.358 6.429 56.959 1.00 60.73 C ATOM 1896 C ARG C 47 9.899 5.999 57.137 1.00 60.57 C ATOM 1897 O ARG C 47 9.146 5.866 56.170 1.00 60.08 O ATOM 1898 CB ARG C 47 11.417 7.791 56.277 1.00 62.57 C ATOM 1899 CG ARG C 47 10.821 8.895 57.117 1.00 66.85 C ATOM 1900 CD ARG C 47 11.607 9.079 58.406 1.00 69.10 C ATOM 1901 NE ARG C 47 10.875 9.876 59.392 1.00 71.31 N ATOM 1902 CZ ARG C 47 9.813 9.444 60.063 1.00 72.02 C ATOM 1903 NH1 ARG C 47 9.349 8.218 59.862 1.00 71.89 N ATOM 1904 NH2 ARG C 47 9.221 10.236 60.942 1.00 72.72 N ATOM 1905 N SER C 52 5.070 2.404 55.669 1.00 41.27 N ATOM 1906 CA SER C 52 5.256 0.956 55.670 1.00 42.85 C ATOM 1907 C SER C 52 4.353 0.251 56.685 1.00 42.47 C ATOM 1908 O SER C 52 4.217 -0.975 56.671 1.00 42.14 O ATOM 1909 CB SER C 52 6.720 0.612 55.945 1.00 43.57 C ATOM 1910 OG SER C 52 6.917 -0.793 55.935 1.00 46.09 O ATOM 1911 N ASP C 53 3.754 1.030 57.578 1.00 43.58 N ATOM 1912 CA ASP C 53 2.827 0.501 58.580 1.00 42.54 C ATOM 1913 C ASP C 53 1.425 0.953 58.164 1.00 40.34 C ATOM 1914 O ASP C 53 0.437 0.606 58.797 1.00 40.74 O ATOM 1915 CB ASP C 53 3.141 1.060 59.977 1.00 45.28 C ATOM 1916 CG ASP C 53 4.419 0.481 60.584 1.00 48.79 C ATOM 1917 OD1 ASP C 53 4.840 0.955 61.668 1.00 50.69 O ATOM 1918 OD2 ASP C 53 5.004 -0.446 59.988 1.00 50.18 O ATOM 1919 N ASN C 54 1.350 1.729 57.088 1.00 38.74 N ATOM 1920 CA ASN C 54 0.078 2.249 56.595 1.00 37.10 C ATOM 1921 C ASN C 54 -0.911 1.170 56.122 1.00 35.28 C ATOM 1922 O ASN C 54 -2.114 1.295 56.300 1.00 34.89 O ATOM 1923 CB ASN C 54 0.338 3.255 55.470 1.00 36.24 C ATOM 1924 CG ASN C 54 -0.926 3.970 55.025 1.00 35.50 C ATOM 1925 OD1 ASN C 54 -1.642 4.543 55.844 1.00 34.46 O ATOM 1926 ND2 ASN C 54 -1.200 3.948 53.722 1.00 35.85 N ATOM 1927 N PRO C 55 -0.416 0.104 55.493 1.00 33.71 N ATOM 1928 CA PRO C 55 -1.323 -0.948 55.030 1.00 33.52 C ATOM 1929 C PRO C 55 -2.190 -1.574 56.128 1.00 32.55 C ATOM 1930 O PRO C 55 -3.413 -1.559 56.035 1.00 33.70 O ATOM 1931 CB PRO C 55 -0.373 -1.957 54.399 1.00 32.65 C ATOM 1932 CG PRO C 55 0.685 -1.097 53.833 1.00 31.91 C ATOM 1933 CD PRO C 55 0.944 -0.116 54.970 1.00 33.39 C ATOM 1934 N VAL C 56 -1.563 -2.129 57.162 1.00 32.76 N ATOM 1935 CA VAL C 56 -2.311 -2.761 58.255 1.00 32.49 C ATOM 1936 C VAL C 56 -3.374 -1.862 58.857 1.00 32.89 C ATOM 1937 O VAL C 56 -4.483 -2.315 59.098 1.00 33.11 O ATOM 1938 CB VAL C 56 -1.395 -3.227 59.416 1.00 29.61 C ATOM 1939 CG1 VAL C 56 -0.362 -4.223 58.899 1.00 30.83 C ATOM 1940 CG2 VAL C 56 -0.692 -2.035 60.049 1.00 27.87 C HETATM 1941 N MSE C 57 -3.035 -0.601 59.110 1.00 33.56 N HETATM 1942 CA MSE C 57 -3.982 0.339 59.703 1.00 35.30 C HETATM 1943 C MSE C 57 -5.156 0.597 58.779 1.00 33.72 C HETATM 1944 O MSE C 57 -6.316 0.621 59.209 1.00 32.37 O HETATM 1945 CB MSE C 57 -3.301 1.671 60.022 1.00 40.88 C HETATM 1946 CG MSE C 57 -2.325 1.625 61.184 1.00 48.90 C HETATM 1947 SE MSE C 57 -1.698 3.380 61.654 1.00 63.01 HETATM 1948 CE MSE C 57 -0.075 3.463 60.644 1.00 55.38 C ATOM 1949 N ILE C 58 -4.851 0.818 57.507 1.00 31.32 N ATOM 1950 CA ILE C 58 -5.895 1.048 56.539 1.00 29.46 C ATOM 1951 C ILE C 58 -6.765 -0.204 56.540 1.00 28.36 C ATOM 1952 O ILE C 58 -7.985 -0.111 56.699 1.00 27.62 O ATOM 1953 CB ILE C 58 -5.310 1.299 55.140 1.00 29.83 C ATOM 1954 CG1 ILE C 58 -4.383 2.525 55.170 1.00 31.23 C ATOM 1955 CG2 ILE C 58 -6.424 1.505 54.153 1.00 29.63 C ATOM 1956 CD1 ILE C 58 -5.016 3.799 55.725 1.00 30.36 C ATOM 1957 N ALA C 59 -6.131 -1.374 56.404 1.00 27.02 N ATOM 1958 CA ALA C 59 -6.857 -2.643 56.407 1.00 26.24 C ATOM 1959 C ALA C 59 -7.832 -2.666 57.574 1.00 26.96 C ATOM 1960 O ALA C 59 -8.975 -3.064 57.413 1.00 28.29 O ATOM 1961 CB ALA C 59 -5.901 -3.796 56.502 1.00 24.62 C ATOM 1962 N GLU C 60 -7.388 -2.205 58.739 1.00 27.71 N ATOM 1963 CA GLU C 60 -8.236 -2.161 59.923 1.00 26.98 C ATOM 1964 C GLU C 60 -9.352 -1.149 59.742 1.00 27.34 C ATOM 1965 O GLU C 60 -10.485 -1.402 60.141 1.00 25.99 O ATOM 1966 CB GLU C 60 -7.431 -1.753 61.162 1.00 27.09 C ATOM 1967 CG GLU C 60 -7.452 -2.728 62.350 1.00 27.23 C ATOM 1968 CD GLU C 60 -8.840 -3.112 62.832 1.00 27.83 C ATOM 1969 OE1 GLU C 60 -9.077 -4.328 62.991 1.00 28.27 O ATOM 1970 OE2 GLU C 60 -9.694 -2.227 63.067 1.00 28.10 O ATOM 1971 N LEU C 61 -9.040 0.002 59.149 1.00 29.15 N ATOM 1972 CA LEU C 61 -10.059 1.050 58.966 1.00 30.58 C ATOM 1973 C LEU C 61 -11.246 0.571 58.152 1.00 31.25 C ATOM 1974 O LEU C 61 -12.401 0.703 58.567 1.00 30.43 O ATOM 1975 CB LEU C 61 -9.465 2.289 58.280 1.00 29.51 C ATOM 1976 CG LEU C 61 -9.380 3.572 59.118 1.00 29.00 C ATOM 1977 CD1 LEU C 61 -9.038 4.729 58.206 1.00 27.12 C ATOM 1978 CD2 LEU C 61 -10.683 3.828 59.829 1.00 27.49 C ATOM 1979 N LEU C 62 -10.936 0.031 56.979 1.00 32.35 N ATOM 1980 CA LEU C 62 -11.942 -0.480 56.066 1.00 33.86 C ATOM 1981 C LEU C 62 -12.802 -1.490 56.818 1.00 33.59 C ATOM 1982 O LEU C 62 -14.031 -1.490 56.729 1.00 32.38 O ATOM 1983 CB LEU C 62 -11.257 -1.148 54.863 1.00 35.22 C ATOM 1984 CG LEU C 62 -10.273 -0.315 54.028 1.00 33.79 C ATOM 1985 CD1 LEU C 62 -9.815 -1.141 52.840 1.00 32.93 C ATOM 1986 CD2 LEU C 62 -10.933 0.968 53.564 1.00 33.04 C ATOM 1987 N ARG C 63 -12.134 -2.344 57.574 1.00 34.36 N ATOM 1988 CA ARG C 63 -12.818 -3.351 58.366 1.00 36.30 C ATOM 1989 C ARG C 63 -13.827 -2.687 59.295 1.00 37.08 C ATOM 1990 O ARG C 63 -14.922 -3.208 59.486 1.00 38.96 O ATOM 1991 CB ARG C 63 -11.798 -4.127 59.183 1.00 36.19 C ATOM 1992 CG ARG C 63 -12.014 -5.602 59.218 1.00 36.46 C ATOM 1993 CD ARG C 63 -10.808 -6.257 59.863 1.00 37.86 C ATOM 1994 NE ARG C 63 -9.710 -6.486 58.937 1.00 37.67 N ATOM 1995 CZ ARG C 63 -8.467 -6.053 59.120 1.00 38.67 C ATOM 1996 NH1 ARG C 63 -8.168 -5.345 60.204 1.00 37.94 N ATOM 1997 NH2 ARG C 63 -7.513 -6.370 58.235 1.00 38.17 N ATOM 1998 N GLU C 64 -13.474 -1.532 59.858 1.00 37.38 N ATOM 1999 CA GLU C 64 -14.380 -0.847 60.773 1.00 36.79 C ATOM 2000 C GLU C 64 -15.449 -0.063 60.023 1.00 37.28 C ATOM 2001 O GLU C 64 -16.258 0.638 60.626 1.00 36.63 O ATOM 2002 CB GLU C 64 -13.594 0.073 61.731 1.00 35.60 C ATOM 2003 CG GLU C 64 -12.227 -0.497 62.167 1.00 36.53 C ATOM 2004 CD GLU C 64 -11.904 -0.350 63.661 1.00 35.85 C ATOM 2005 OE1 GLU C 64 -12.141 0.725 64.256 1.00 33.30 O ATOM 2006 OE2 GLU C 64 -11.384 -1.335 64.230 1.00 35.09 O ATOM 2007 N PHE C 65 -15.446 -0.174 58.698 1.00 38.55 N ATOM 2008 CA PHE C 65 -16.448 0.510 57.886 1.00 39.25 C ATOM 2009 C PHE C 65 -17.033 -0.429 56.850 1.00 41.34 C ATOM 2010 O PHE C 65 -16.762 -0.304 55.674 1.00 42.72 O ATOM 2011 CB PHE C 65 -15.852 1.727 57.202 1.00 37.24 C ATOM 2012 CG PHE C 65 -15.730 2.909 58.099 1.00 37.28 C ATOM 2013 CD1 PHE C 65 -14.739 2.964 59.071 1.00 37.75 C ATOM 2014 CD2 PHE C 65 -16.633 3.952 58.007 1.00 36.50 C ATOM 2015 CE1 PHE C 65 -14.650 4.044 59.948 1.00 37.09 C ATOM 2016 CE2 PHE C 65 -16.554 5.034 58.876 1.00 37.77 C ATOM 2017 CZ PHE C 65 -15.559 5.079 59.851 1.00 37.21 C ATOM 2018 N PRO C 66 -17.849 -1.399 57.289 1.00 44.49 N ATOM 2019 CA PRO C 66 -18.487 -2.381 56.409 1.00 44.99 C ATOM 2020 C PRO C 66 -19.519 -1.810 55.444 1.00 45.34 C ATOM 2021 O PRO C 66 -19.987 -2.519 54.561 1.00 46.71 O ATOM 2022 CB PRO C 66 -19.129 -3.355 57.392 1.00 46.61 C ATOM 2023 CG PRO C 66 -18.224 -3.286 58.567 1.00 47.69 C ATOM 2024 CD PRO C 66 -18.008 -1.802 58.698 1.00 46.25 C ATOM 2025 N GLN C 67 -19.886 -0.542 55.608 1.00 43.96 N ATOM 2026 CA GLN C 67 -20.877 0.045 54.721 1.00 42.59 C ATOM 2027 C GLN C 67 -20.512 -0.147 53.251 1.00 42.26 C ATOM 2028 O GLN C 67 -21.255 -0.776 52.511 1.00 41.77 O ATOM 2029 CB GLN C 67 -21.043 1.531 55.003 1.00 42.29 C ATOM 2030 CG GLN C 67 -21.266 1.836 56.447 1.00 41.56 C ATOM 2031 CD GLN C 67 -19.971 2.115 57.161 1.00 41.19 C ATOM 2032 OE1 GLN C 67 -19.081 1.265 57.214 1.00 39.44 O ATOM 2033 NE2 GLN C 67 -19.850 3.323 57.713 1.00 41.41 N ATOM 2034 N PHE C 68 -19.361 0.381 52.840 1.00 42.36 N ATOM 2035 CA PHE C 68 -18.916 0.278 51.452 1.00 43.34 C ATOM 2036 C PHE C 68 -18.106 -0.976 51.202 1.00 44.19 C ATOM 2037 O PHE C 68 -17.478 -1.501 52.125 1.00 45.64 O ATOM 2038 CB PHE C 68 -18.034 1.456 51.084 1.00 42.78 C ATOM 2039 CG PHE C 68 -18.486 2.740 51.663 1.00 42.37 C ATOM 2040 CD1 PHE C 68 -18.239 3.039 52.997 1.00 41.33 C ATOM 2041 CD2 PHE C 68 -19.182 3.648 50.883 1.00 42.33 C ATOM 2042 CE1 PHE C 68 -18.685 4.229 53.546 1.00 42.49 C ATOM 2043 CE2 PHE C 68 -19.635 4.840 51.417 1.00 43.42 C ATOM 2044 CZ PHE C 68 -19.388 5.138 52.754 1.00 43.11 C ATOM 2045 N ASP C 69 -18.108 -1.459 49.958 1.00 43.00 N ATOM 2046 CA ASP C 69 -17.307 -2.633 49.639 1.00 42.00 C ATOM 2047 C ASP C 69 -16.038 -2.045 49.063 1.00 40.68 C ATOM 2048 O ASP C 69 -15.719 -2.230 47.894 1.00 40.73 O ATOM 2049 CB ASP C 69 -17.973 -3.549 48.610 1.00 42.89 C ATOM 2050 CG ASP C 69 -17.473 -4.991 48.717 1.00 44.90 C ATOM 2051 OD1 ASP C 69 -16.233 -5.202 48.830 1.00 42.98 O ATOM 2052 OD2 ASP C 69 -18.326 -5.906 48.690 1.00 46.36 O ATOM 2053 N TRP C 70 -15.328 -1.314 49.911 1.00 39.21 N ATOM 2054 CA TRP C 70 -14.100 -0.653 49.520 1.00 35.69 C ATOM 2055 C TRP C 70 -13.188 -1.503 48.671 1.00 34.95 C ATOM 2056 O TRP C 70 -13.044 -2.706 48.893 1.00 35.07 O ATOM 2057 CB TRP C 70 -13.315 -0.221 50.749 1.00 33.02 C ATOM 2058 CG TRP C 70 -14.074 0.586 51.726 1.00 31.40 C ATOM 2059 CD1 TRP C 70 -14.754 0.130 52.824 1.00 29.76 C ATOM 2060 CD2 TRP C 70 -14.152 2.006 51.769 1.00 30.09 C ATOM 2061 NE1 TRP C 70 -15.234 1.184 53.553 1.00 28.99 N ATOM 2062 CE2 TRP C 70 -14.878 2.350 52.928 1.00 29.87 C ATOM 2063 CE3 TRP C 70 -13.674 3.028 50.944 1.00 29.96 C ATOM 2064 CZ2 TRP C 70 -15.135 3.677 53.282 1.00 29.56 C ATOM 2065 CZ3 TRP C 70 -13.929 4.346 51.294 1.00 28.23 C ATOM 2066 CH2 TRP C 70 -14.651 4.659 52.453 1.00 28.79 C ATOM 2067 N GLN C 71 -12.574 -0.861 47.689 1.00 33.60 N ATOM 2068 CA GLN C 71 -11.606 -1.525 46.836 1.00 32.55 C ATOM 2069 C GLN C 71 -10.304 -0.822 47.226 1.00 31.21 C ATOM 2070 O GLN C 71 -10.328 0.277 47.783 1.00 29.81 O ATOM 2071 CB GLN C 71 -11.937 -1.289 45.359 1.00 34.50 C ATOM 2072 CG GLN C 71 -13.196 -2.012 44.855 1.00 37.29 C ATOM 2073 CD GLN C 71 -12.913 -3.434 44.366 1.00 39.36 C ATOM 2074 OE1 GLN C 71 -12.377 -3.639 43.259 1.00 40.12 O ATOM 2075 NE2 GLN C 71 -13.270 -4.426 45.190 1.00 38.65 N ATOM 2076 N VAL C 72 -9.169 -1.443 46.958 1.00 29.22 N ATOM 2077 CA VAL C 72 -7.918 -0.822 47.330 1.00 27.89 C ATOM 2078 C VAL C 72 -6.931 -0.844 46.192 1.00 26.89 C ATOM 2079 O VAL C 72 -6.790 -1.849 45.488 1.00 25.45 O ATOM 2080 CB VAL C 72 -7.295 -1.520 48.565 1.00 29.86 C ATOM 2081 CG1 VAL C 72 -6.038 -0.764 49.022 1.00 32.46 C ATOM 2082 CG2 VAL C 72 -8.314 -1.552 49.715 1.00 30.37 C ATOM 2083 N ALA C 73 -6.260 0.290 46.018 1.00 26.55 N ATOM 2084 CA ALA C 73 -5.260 0.462 44.969 1.00 26.44 C ATOM 2085 C ALA C 73 -4.018 1.057 45.599 1.00 25.03 C ATOM 2086 O ALA C 73 -4.100 1.742 46.608 1.00 24.00 O ATOM 2087 CB ALA C 73 -5.782 1.375 43.852 1.00 25.34 C ATOM 2088 N VAL C 74 -2.871 0.801 44.980 1.00 25.17 N ATOM 2089 CA VAL C 74 -1.590 1.244 45.498 1.00 24.28 C ATOM 2090 C VAL C 74 -0.773 1.872 44.384 1.00 24.52 C ATOM 2091 O VAL C 74 -0.947 1.539 43.217 1.00 25.23 O ATOM 2092 CB VAL C 74 -0.818 0.034 46.072 1.00 21.41 C ATOM 2093 CG1 VAL C 74 0.449 0.486 46.769 1.00 25.00 C ATOM 2094 CG2 VAL C 74 -1.702 -0.723 47.021 1.00 20.35 C ATOM 2095 N ALA C 75 0.112 2.787 44.751 1.00 24.36 N ATOM 2096 CA ALA C 75 0.962 3.454 43.783 1.00 25.30 C ATOM 2097 C ALA C 75 2.429 3.290 44.203 1.00 25.11 C ATOM 2098 O ALA C 75 2.762 3.478 45.367 1.00 24.73 O ATOM 2099 CB ALA C 75 0.590 4.917 43.717 1.00 25.40 C ATOM 2100 N ASP C 76 3.293 2.932 43.257 1.00 26.32 N ATOM 2101 CA ASP C 76 4.705 2.747 43.542 1.00 28.72 C ATOM 2102 C ASP C 76 5.324 4.101 43.942 1.00 30.07 C ATOM 2103 O ASP C 76 4.599 5.072 44.100 1.00 31.81 O ATOM 2104 CB ASP C 76 5.414 2.138 42.317 1.00 29.09 C ATOM 2105 CG ASP C 76 5.640 3.141 41.200 1.00 30.51 C ATOM 2106 OD1 ASP C 76 4.658 3.601 40.588 1.00 30.73 O ATOM 2107 OD2 ASP C 76 6.816 3.471 40.933 1.00 32.14 O ATOM 2108 N LEU C 77 6.644 4.170 44.109 1.00 31.20 N ATOM 2109 CA LEU C 77 7.304 5.404 44.514 1.00 31.89 C ATOM 2110 C LEU C 77 7.111 6.591 43.602 1.00 33.41 C ATOM 2111 O LEU C 77 6.836 7.694 44.068 1.00 34.29 O ATOM 2112 CB LEU C 77 8.794 5.175 44.676 1.00 32.06 C ATOM 2113 CG LEU C 77 9.171 4.213 45.784 1.00 33.47 C ATOM 2114 CD1 LEU C 77 10.668 3.977 45.745 1.00 35.96 C ATOM 2115 CD2 LEU C 77 8.738 4.793 47.142 1.00 33.71 C ATOM 2116 N GLU C 78 7.281 6.391 42.304 1.00 33.88 N ATOM 2117 CA GLU C 78 7.130 7.497 41.377 1.00 33.87 C ATOM 2118 C GLU C 78 5.685 7.963 41.333 1.00 32.34 C ATOM 2119 O GLU C 78 5.393 9.115 41.632 1.00 31.65 O ATOM 2120 CB GLU C 78 7.600 7.091 39.973 1.00 36.46 C ATOM 2121 CG GLU C 78 9.095 7.236 39.737 1.00 42.06 C ATOM 2122 CD GLU C 78 9.832 5.905 39.663 1.00 46.05 C ATOM 2123 OE1 GLU C 78 9.856 5.169 40.675 1.00 48.11 O ATOM 2124 OE2 GLU C 78 10.390 5.595 38.584 1.00 48.16 O ATOM 2125 N GLN C 79 4.779 7.054 40.992 1.00 31.97 N ATOM 2126 CA GLN C 79 3.355 7.383 40.886 1.00 31.08 C ATOM 2127 C GLN C 79 2.717 7.926 42.158 1.00 30.49 C ATOM 2128 O GLN C 79 1.576 8.378 42.128 1.00 31.11 O ATOM 2129 CB GLN C 79 2.559 6.162 40.392 1.00 29.50 C ATOM 2130 CG GLN C 79 3.029 5.603 39.049 1.00 27.68 C ATOM 2131 CD GLN C 79 3.300 6.691 38.013 1.00 27.17 C ATOM 2132 OE1 GLN C 79 2.385 7.397 37.576 1.00 27.42 O ATOM 2133 NE2 GLN C 79 4.568 6.838 37.629 1.00 25.48 N ATOM 2134 N SER C 80 3.436 7.854 43.273 1.00 31.17 N ATOM 2135 CA SER C 80 2.932 8.380 44.544 1.00 33.33 C ATOM 2136 C SER C 80 3.306 9.859 44.582 1.00 35.58 C ATOM 2137 O SER C 80 2.611 10.669 45.185 1.00 34.21 O ATOM 2138 CB SER C 80 3.562 7.652 45.740 1.00 31.13 C ATOM 2139 OG SER C 80 2.744 6.595 46.201 1.00 28.22 O ATOM 2140 N GLU C 81 4.422 10.186 43.938 1.00 38.03 N ATOM 2141 CA GLU C 81 4.894 11.554 43.840 1.00 38.76 C ATOM 2142 C GLU C 81 3.848 12.286 43.032 1.00 36.56 C ATOM 2143 O GLU C 81 3.235 13.230 43.510 1.00 36.39 O ATOM 2144 CB GLU C 81 6.213 11.597 43.087 1.00 43.62 C ATOM 2145 CG GLU C 81 6.826 12.971 42.962 1.00 51.63 C ATOM 2146 CD GLU C 81 7.892 13.025 41.880 1.00 56.95 C ATOM 2147 OE1 GLU C 81 8.638 14.039 41.816 1.00 58.26 O ATOM 2148 OE2 GLU C 81 7.973 12.049 41.087 1.00 59.64 O ATOM 2149 N ALA C 82 3.637 11.817 41.808 1.00 34.30 N ATOM 2150 CA ALA C 82 2.665 12.408 40.905 1.00 32.97 C ATOM 2151 C ALA C 82 1.298 12.433 41.575 1.00 32.61 C ATOM 2152 O ALA C 82 0.738 13.500 41.794 1.00 34.76 O ATOM 2153 CB ALA C 82 2.616 11.624 39.626 1.00 32.08 C ATOM 2154 N ILE C 83 0.760 11.265 41.910 1.00 32.24 N ATOM 2155 CA ILE C 83 -0.544 11.180 42.581 1.00 31.21 C ATOM 2156 C ILE C 83 -0.281 11.705 43.983 1.00 32.49 C ATOM 2157 O ILE C 83 -0.001 10.935 44.895 1.00 35.37 O ATOM 2158 CB ILE C 83 -1.033 9.705 42.709 1.00 28.53 C ATOM 2159 CG1 ILE C 83 -1.147 9.054 41.343 1.00 27.28 C ATOM 2160 CG2 ILE C 83 -2.364 9.649 43.405 1.00 26.04 C ATOM 2161 CD1 ILE C 83 -1.269 7.547 41.421 1.00 25.94 C ATOM 2162 N GLY C 84 -0.338 13.010 44.155 1.00 32.47 N ATOM 2163 CA GLY C 84 -0.069 13.581 45.461 1.00 33.92 C ATOM 2164 C GLY C 84 -0.227 15.063 45.276 1.00 35.52 C ATOM 2165 O GLY C 84 -1.032 15.701 45.948 1.00 35.96 O ATOM 2166 N ASP C 85 0.543 15.620 44.346 1.00 35.71 N ATOM 2167 CA ASP C 85 0.414 17.035 44.076 1.00 35.10 C ATOM 2168 C ASP C 85 -1.031 17.198 43.629 1.00 34.24 C ATOM 2169 O ASP C 85 -1.788 17.986 44.200 1.00 35.55 O ATOM 2170 CB ASP C 85 1.316 17.485 42.933 1.00 37.33 C ATOM 2171 CG ASP C 85 2.725 17.004 43.074 1.00 39.45 C ATOM 2172 OD1 ASP C 85 3.308 17.136 44.173 1.00 42.05 O ATOM 2173 OD2 ASP C 85 3.260 16.502 42.068 1.00 40.19 O ATOM 2174 N ARG C 86 -1.414 16.442 42.603 1.00 31.40 N ATOM 2175 CA ARG C 86 -2.775 16.514 42.079 1.00 29.64 C ATOM 2176 C ARG C 86 -3.795 16.649 43.205 1.00 30.97 C ATOM 2177 O ARG C 86 -4.775 17.390 43.084 1.00 30.90 O ATOM 2178 CB ARG C 86 -3.093 15.273 41.238 1.00 27.88 C ATOM 2179 CG ARG C 86 -4.574 15.073 40.950 1.00 25.20 C ATOM 2180 CD ARG C 86 -4.807 13.851 40.046 1.00 22.99 C ATOM 2181 NE ARG C 86 -6.221 13.730 39.671 1.00 21.58 N ATOM 2182 CZ ARG C 86 -6.731 12.742 38.942 1.00 20.46 C ATOM 2183 NH1 ARG C 86 -5.944 11.770 38.497 1.00 21.84 N ATOM 2184 NH2 ARG C 86 -8.028 12.724 38.662 1.00 18.68 N ATOM 2185 N PHE C 87 -3.536 15.956 44.314 1.00 30.79 N ATOM 2186 CA PHE C 87 -4.431 15.959 45.459 1.00 30.01 C ATOM 2187 C PHE C 87 -3.858 16.743 46.619 1.00 30.89 C ATOM 2188 O PHE C 87 -4.292 16.602 47.766 1.00 32.11 O ATOM 2189 CB PHE C 87 -4.686 14.522 45.873 1.00 29.15 C ATOM 2190 CG PHE C 87 -5.460 13.736 44.872 1.00 26.21 C ATOM 2191 CD1 PHE C 87 -6.842 13.812 44.842 1.00 26.62 C ATOM 2192 CD2 PHE C 87 -4.814 12.894 43.982 1.00 25.69 C ATOM 2193 CE1 PHE C 87 -7.572 13.052 43.941 1.00 27.64 C ATOM 2194 CE2 PHE C 87 -5.533 12.129 43.074 1.00 25.84 C ATOM 2195 CZ PHE C 87 -6.911 12.205 43.053 1.00 26.93 C ATOM 2196 N ASN C 88 -2.867 17.565 46.304 1.00 32.39 N ATOM 2197 CA ASN C 88 -2.183 18.405 47.284 1.00 33.01 C ATOM 2198 C ASN C 88 -1.674 17.659 48.492 1.00 33.80 C ATOM 2199 O ASN C 88 -1.768 18.158 49.608 1.00 34.96 O ATOM 2200 CB ASN C 88 -3.097 19.528 47.759 1.00 32.77 C ATOM 2201 CG ASN C 88 -2.543 20.890 47.424 1.00 31.00 C ATOM 2202 OD1 ASN C 88 -3.215 21.704 46.787 1.00 28.53 O ATOM 2203 ND2 ASN C 88 -1.303 21.146 47.848 1.00 28.65 N ATOM 2204 N VAL C 89 -1.131 16.470 48.272 1.00 35.48 N ATOM 2205 CA VAL C 89 -0.600 15.661 49.359 1.00 37.92 C ATOM 2206 C VAL C 89 0.900 15.896 49.547 1.00 39.86 C ATOM 2207 O VAL C 89 1.716 15.419 48.762 1.00 40.23 O ATOM 2208 CB VAL C 89 -0.830 14.165 49.093 1.00 37.83 C ATOM 2209 CG1 VAL C 89 -0.107 13.338 50.138 1.00 37.80 C ATOM 2210 CG2 VAL C 89 -2.317 13.861 49.113 1.00 37.88 C ATOM 2211 N ARG C 90 1.256 16.628 50.593 1.00 41.80 N ATOM 2212 CA ARG C 90 2.655 16.910 50.882 1.00 43.78 C ATOM 2213 C ARG C 90 3.253 15.920 51.895 1.00 41.60 C ATOM 2214 O ARG C 90 4.474 15.804 52.019 1.00 40.28 O ATOM 2215 CB ARG C 90 2.818 18.344 51.427 1.00 49.02 C ATOM 2216 CG ARG C 90 2.682 19.481 50.382 1.00 55.77 C ATOM 2217 CD ARG C 90 1.233 19.689 49.922 1.00 61.07 C ATOM 2218 NE ARG C 90 0.452 20.513 50.844 1.00 64.75 N ATOM 2219 CZ ARG C 90 0.632 21.820 51.022 1.00 67.89 C ATOM 2220 NH1 ARG C 90 1.569 22.466 50.341 1.00 69.25 N ATOM 2221 NH2 ARG C 90 -0.129 22.488 51.880 1.00 68.72 N ATOM 2222 N ARG C 91 2.402 15.215 52.628 1.00 38.89 N ATOM 2223 CA ARG C 91 2.909 14.274 53.609 1.00 36.52 C ATOM 2224 C ARG C 91 2.549 12.827 53.321 1.00 32.56 C ATOM 2225 O ARG C 91 1.420 12.522 52.939 1.00 32.28 O ATOM 2226 CB ARG C 91 2.416 14.646 55.002 1.00 39.29 C ATOM 2227 CG ARG C 91 2.935 15.971 55.532 1.00 42.61 C ATOM 2228 CD ARG C 91 2.106 16.378 56.724 1.00 44.81 C ATOM 2229 NE ARG C 91 0.696 16.443 56.335 1.00 47.37 N ATOM 2230 CZ ARG C 91 -0.309 15.913 57.027 1.00 47.68 C ATOM 2231 NH1 ARG C 91 -0.086 15.269 58.164 1.00 48.38 N ATOM 2232 NH2 ARG C 91 -1.540 16.022 56.569 1.00 47.65 N ATOM 2233 N PHE C 92 3.524 11.945 53.522 1.00 29.11 N ATOM 2234 CA PHE C 92 3.345 10.521 53.290 1.00 27.28 C ATOM 2235 C PHE C 92 3.658 9.782 54.543 1.00 25.19 C ATOM 2236 O PHE C 92 4.480 10.231 55.324 1.00 26.59 O ATOM 2237 CB PHE C 92 4.277 10.053 52.189 1.00 27.63 C ATOM 2238 CG PHE C 92 4.043 10.744 50.888 1.00 30.44 C ATOM 2239 CD1 PHE C 92 2.837 10.580 50.210 1.00 31.38 C ATOM 2240 CD2 PHE C 92 5.019 11.564 50.337 1.00 30.99 C ATOM 2241 CE1 PHE C 92 2.616 11.220 49.005 1.00 33.66 C ATOM 2242 CE2 PHE C 92 4.804 12.208 49.131 1.00 32.40 C ATOM 2243 CZ PHE C 92 3.604 12.035 48.464 1.00 33.39 C ATOM 2244 N PRO C 93 3.041 8.612 54.751 1.00 24.30 N ATOM 2245 CA PRO C 93 2.067 7.899 53.928 1.00 23.92 C ATOM 2246 C PRO C 93 0.788 8.663 53.834 1.00 22.79 C ATOM 2247 O PRO C 93 0.430 9.380 54.753 1.00 24.02 O ATOM 2248 CB PRO C 93 1.846 6.608 54.697 1.00 24.25 C ATOM 2249 CG PRO C 93 3.086 6.435 55.467 1.00 25.66 C ATOM 2250 CD PRO C 93 3.374 7.812 55.940 1.00 25.65 C ATOM 2251 N ALA C 94 0.082 8.500 52.731 1.00 21.77 N ATOM 2252 CA ALA C 94 -1.180 9.193 52.582 1.00 22.29 C ATOM 2253 C ALA C 94 -2.194 8.241 52.015 1.00 21.87 C ATOM 2254 O ALA C 94 -1.843 7.203 51.474 1.00 23.72 O ATOM 2255 CB ALA C 94 -1.015 10.396 51.670 1.00 23.72 C ATOM 2256 N THR C 95 -3.459 8.597 52.117 1.00 21.09 N ATOM 2257 CA THR C 95 -4.494 7.720 51.611 1.00 21.85 C ATOM 2258 C THR C 95 -5.659 8.531 51.075 1.00 22.02 C ATOM 2259 O THR C 95 -6.184 9.401 51.753 1.00 20.51 O ATOM 2260 CB THR C 95 -4.965 6.767 52.727 1.00 21.00 C ATOM 2261 OG1 THR C 95 -3.860 5.951 53.138 1.00 22.23 O ATOM 2262 CG2 THR C 95 -6.073 5.872 52.235 1.00 20.88 C ATOM 2263 N LEU C 96 -6.040 8.262 49.840 1.00 22.27 N ATOM 2264 CA LEU C 96 -7.142 8.978 49.237 1.00 26.49 C ATOM 2265 C LEU C 96 -8.419 8.139 49.396 1.00 29.68 C ATOM 2266 O LEU C 96 -8.422 6.935 49.116 1.00 30.48 O ATOM 2267 CB LEU C 96 -6.831 9.234 47.757 1.00 24.15 C ATOM 2268 CG LEU C 96 -5.409 9.742 47.486 1.00 20.60 C ATOM 2269 CD1 LEU C 96 -5.110 9.579 46.007 1.00 22.21 C ATOM 2270 CD2 LEU C 96 -5.240 11.173 47.934 1.00 16.29 C ATOM 2271 N VAL C 97 -9.496 8.762 49.860 1.00 32.28 N ATOM 2272 CA VAL C 97 -10.744 8.036 50.052 1.00 35.42 C ATOM 2273 C VAL C 97 -11.772 8.374 48.989 1.00 37.04 C ATOM 2274 O VAL C 97 -12.205 9.518 48.881 1.00 37.62 O ATOM 2275 CB VAL C 97 -11.358 8.338 51.443 1.00 36.84 C ATOM 2276 CG1 VAL C 97 -12.653 7.565 51.615 1.00 36.63 C ATOM 2277 CG2 VAL C 97 -10.366 7.964 52.550 1.00 37.38 C ATOM 2278 N PHE C 98 -12.175 7.369 48.219 1.00 41.40 N ATOM 2279 CA PHE C 98 -13.155 7.570 47.159 1.00 45.12 C ATOM 2280 C PHE C 98 -14.477 6.840 47.382 1.00 46.60 C ATOM 2281 O PHE C 98 -14.520 5.718 47.890 1.00 48.32 O ATOM 2282 CB PHE C 98 -12.604 7.106 45.804 1.00 45.22 C ATOM 2283 CG PHE C 98 -11.482 7.947 45.265 1.00 46.36 C ATOM 2284 CD1 PHE C 98 -10.176 7.747 45.695 1.00 46.50 C ATOM 2285 CD2 PHE C 98 -11.725 8.911 44.289 1.00 46.23 C ATOM 2286 CE1 PHE C 98 -9.128 8.489 45.156 1.00 46.94 C ATOM 2287 CE2 PHE C 98 -10.682 9.659 43.744 1.00 46.20 C ATOM 2288 CZ PHE C 98 -9.382 9.447 44.179 1.00 46.23 C ATOM 2289 N THR C 99 -15.614 7.710 47.216 1.00 48.13 N ATOM 2290 CA THR C 99 -16.769 7.002 47.420 1.00 50.41 C ATOM 2291 C THR C 99 -17.727 7.542 46.497 1.00 52.19 C ATOM 2292 O THR C 99 -18.586 8.400 46.689 1.00 53.72 O ATOM 2293 CB THR C 99 -17.280 7.062 48.809 1.00 49.73 C ATOM 2294 OG1 THR C 99 -16.320 6.521 49.718 1.00 47.31 O ATOM 2295 CG2 THR C 99 -18.574 6.286 48.929 1.00 48.67 C ATOM 2296 N ASP C 100 -17.375 6.850 45.432 1.00 52.23 N ATOM 2297 CA ASP C 100 -17.902 6.880 44.150 1.00 52.29 C ATOM 2298 C ASP C 100 -17.073 7.865 43.258 1.00 51.28 C ATOM 2299 O ASP C 100 -17.463 8.082 42.101 1.00 50.04 O ATOM 2300 CB ASP C 100 -19.385 7.294 44.330 1.00 52.39 C ATOM 2301 CG ASP C 100 -20.174 7.317 43.057 1.00 53.36 C ATOM 2302 OD1 ASP C 100 -19.569 7.654 42.013 1.00 54.98 O ATOM 2303 OD2 ASP C 100 -21.380 6.992 43.100 1.00 53.56 O ATOM 2304 N GLY C 101 -15.984 8.502 43.729 1.00 49.88 N ATOM 2305 CA GLY C 101 -15.285 9.613 43.025 1.00 49.30 C ATOM 2306 C GLY C 101 -15.559 10.985 43.777 1.00 50.01 C ATOM 2307 O GLY C 101 -16.373 11.784 43.331 1.00 51.07 O ATOM 2308 N ALA C 106 -9.209 12.799 51.921 1.00 23.26 N ATOM 2309 CA ALA C 106 -7.806 12.395 51.825 1.00 24.27 C ATOM 2310 C ALA C 106 -7.064 12.418 53.165 1.00 24.03 C ATOM 2311 O ALA C 106 -7.007 13.447 53.833 1.00 23.59 O ATOM 2312 CB ALA C 106 -7.071 13.278 50.806 1.00 25.54 C ATOM 2313 N LEU C 107 -6.506 11.266 53.541 1.00 24.46 N ATOM 2314 CA LEU C 107 -5.749 11.086 54.782 1.00 24.69 C ATOM 2315 C LEU C 107 -4.258 11.251 54.455 1.00 25.96 C ATOM 2316 O LEU C 107 -3.744 10.593 53.542 1.00 26.21 O ATOM 2317 CB LEU C 107 -5.997 9.676 55.350 1.00 23.18 C ATOM 2318 CG LEU C 107 -7.444 9.280 55.633 1.00 22.21 C ATOM 2319 CD1 LEU C 107 -7.581 7.800 55.890 1.00 23.50 C ATOM 2320 CD2 LEU C 107 -7.930 10.070 56.829 1.00 24.63 C ATOM 2321 N SER C 108 -3.563 12.111 55.191 1.00 25.87 N ATOM 2322 CA SER C 108 -2.151 12.332 54.922 1.00 27.04 C ATOM 2323 C SER C 108 -1.330 12.451 56.192 1.00 27.31 C ATOM 2324 O SER C 108 -1.793 12.996 57.184 1.00 25.65 O ATOM 2325 CB SER C 108 -1.970 13.606 54.090 1.00 28.71 C ATOM 2326 OG SER C 108 -2.630 13.520 52.837 1.00 33.42 O ATOM 2327 N GLY C 109 -0.099 11.949 56.151 1.00 28.87 N ATOM 2328 CA GLY C 109 0.773 12.016 57.311 1.00 30.46 C ATOM 2329 C GLY C 109 0.655 10.826 58.244 1.00 33.18 C ATOM 2330 O GLY C 109 -0.084 9.874 57.976 1.00 34.06 O ATOM 2331 N ILE C 110 1.393 10.887 59.347 1.00 34.58 N ATOM 2332 CA ILE C 110 1.397 9.830 60.354 1.00 34.05 C ATOM 2333 C ILE C 110 0.476 10.202 61.516 1.00 33.30 C ATOM 2334 O ILE C 110 0.601 11.274 62.122 1.00 31.88 O ATOM 2335 CB ILE C 110 2.845 9.558 60.880 1.00 35.97 C ATOM 2336 CG1 ILE C 110 2.802 8.558 62.031 1.00 37.94 C ATOM 2337 CG2 ILE C 110 3.509 10.857 61.343 1.00 36.96 C ATOM 2338 CD1 ILE C 110 4.176 8.222 62.612 1.00 40.30 C ATOM 2339 N HIS C 111 -0.454 9.298 61.810 1.00 33.35 N ATOM 2340 CA HIS C 111 -1.444 9.496 62.867 1.00 31.80 C ATOM 2341 C HIS C 111 -1.657 8.257 63.721 1.00 31.61 C ATOM 2342 O HIS C 111 -1.724 7.147 63.197 1.00 32.60 O ATOM 2343 CB HIS C 111 -2.791 9.857 62.249 1.00 31.17 C ATOM 2344 CG HIS C 111 -2.755 11.072 61.382 1.00 30.01 C ATOM 2345 ND1 HIS C 111 -3.093 11.035 60.048 1.00 29.03 N ATOM 2346 CD2 HIS C 111 -2.452 12.361 61.661 1.00 28.86 C ATOM 2347 CE1 HIS C 111 -3.004 12.249 59.543 1.00 28.48 C ATOM 2348 NE2 HIS C 111 -2.617 13.073 60.501 1.00 29.55 N ATOM 2349 N PRO C 112 -1.788 8.433 65.045 1.00 31.52 N ATOM 2350 CA PRO C 112 -2.006 7.307 65.960 1.00 31.23 C ATOM 2351 C PRO C 112 -3.362 6.710 65.622 1.00 31.53 C ATOM 2352 O PRO C 112 -4.240 7.440 65.182 1.00 33.04 O ATOM 2353 CB PRO C 112 -2.012 7.975 67.331 1.00 32.02 C ATOM 2354 CG PRO C 112 -1.147 9.175 67.129 1.00 32.70 C ATOM 2355 CD PRO C 112 -1.637 9.684 65.799 1.00 30.84 C ATOM 2356 N TRP C 113 -3.545 5.409 65.829 1.00 29.82 N ATOM 2357 CA TRP C 113 -4.820 4.800 65.493 1.00 28.08 C ATOM 2358 C TRP C 113 -6.010 5.701 65.778 1.00 28.76 C ATOM 2359 O TRP C 113 -6.839 5.932 64.911 1.00 29.03 O ATOM 2360 CB TRP C 113 -5.026 3.482 66.222 1.00 25.63 C ATOM 2361 CG TRP C 113 -6.472 3.081 66.196 1.00 22.43 C ATOM 2362 CD1 TRP C 113 -7.376 3.206 67.216 1.00 22.31 C ATOM 2363 CD2 TRP C 113 -7.201 2.567 65.079 1.00 18.82 C ATOM 2364 NE1 TRP C 113 -8.618 2.804 66.799 1.00 22.32 N ATOM 2365 CE2 TRP C 113 -8.539 2.406 65.490 1.00 20.42 C ATOM 2366 CE3 TRP C 113 -6.857 2.229 63.774 1.00 18.30 C ATOM 2367 CZ2 TRP C 113 -9.534 1.917 64.636 1.00 19.61 C ATOM 2368 CZ3 TRP C 113 -7.845 1.746 62.922 1.00 19.31 C ATOM 2369 CH2 TRP C 113 -9.167 1.593 63.358 1.00 18.88 C ATOM 2370 N ALA C 114 -6.101 6.213 66.994 1.00 30.35 N ATOM 2371 CA ALA C 114 -7.224 7.064 67.345 1.00 30.05 C ATOM 2372 C ALA C 114 -7.459 8.166 66.325 1.00 30.31 C ATOM 2373 O ALA C 114 -8.553 8.292 65.777 1.00 32.62 O ATOM 2374 CB ALA C 114 -7.013 7.666 68.725 1.00 30.48 C ATOM 2375 N GLU C 115 -6.432 8.964 66.066 1.00 31.52 N ATOM 2376 CA GLU C 115 -6.535 10.089 65.126 1.00 31.58 C ATOM 2377 C GLU C 115 -7.039 9.657 63.757 1.00 31.20 C ATOM 2378 O GLU C 115 -7.980 10.238 63.211 1.00 31.74 O ATOM 2379 CB GLU C 115 -5.163 10.742 64.994 1.00 32.20 C ATOM 2380 CG GLU C 115 -5.146 12.136 64.432 1.00 30.80 C ATOM 2381 CD GLU C 115 -4.014 12.932 65.036 1.00 31.54 C ATOM 2382 OE1 GLU C 115 -4.171 13.370 66.204 1.00 33.41 O ATOM 2383 OE2 GLU C 115 -2.970 13.095 64.368 1.00 29.26 O ATOM 2384 N LEU C 116 -6.384 8.643 63.207 1.00 29.70 N ATOM 2385 CA LEU C 116 -6.742 8.115 61.908 1.00 28.89 C ATOM 2386 C LEU C 116 -8.251 7.858 61.812 1.00 30.11 C ATOM 2387 O LEU C 116 -8.908 8.288 60.856 1.00 30.26 O ATOM 2388 CB LEU C 116 -5.984 6.814 61.665 1.00 26.71 C ATOM 2389 CG LEU C 116 -5.966 6.311 60.237 1.00 26.23 C ATOM 2390 CD1 LEU C 116 -5.266 7.345 59.346 1.00 25.52 C ATOM 2391 CD2 LEU C 116 -5.238 4.995 60.193 1.00 25.46 C ATOM 2392 N LEU C 117 -8.805 7.180 62.815 1.00 28.57 N ATOM 2393 CA LEU C 117 -10.225 6.844 62.803 1.00 27.56 C ATOM 2394 C LEU C 117 -11.134 8.052 62.699 1.00 27.48 C ATOM 2395 O LEU C 117 -12.070 8.058 61.907 1.00 27.50 O ATOM 2396 CB LEU C 117 -10.579 6.027 64.040 1.00 26.57 C ATOM 2397 CG LEU C 117 -12.023 5.548 64.169 1.00 27.27 C ATOM 2398 CD1 LEU C 117 -12.510 4.854 62.903 1.00 25.99 C ATOM 2399 CD2 LEU C 117 -12.072 4.588 65.344 1.00 29.35 C ATOM 2400 N THR C 118 -10.846 9.069 63.496 1.00 27.83 N ATOM 2401 CA THR C 118 -11.623 10.299 63.501 1.00 30.03 C ATOM 2402 C THR C 118 -11.546 10.969 62.127 1.00 32.98 C ATOM 2403 O THR C 118 -12.527 11.520 61.609 1.00 32.65 O ATOM 2404 CB THR C 118 -11.075 11.271 64.554 1.00 28.66 C ATOM 2405 OG1 THR C 118 -11.137 10.655 65.839 1.00 29.47 O ATOM 2406 CG2 THR C 118 -11.870 12.554 64.577 1.00 29.98 C ATOM 2407 N LEU C 119 -10.363 10.927 61.537 1.00 33.84 N ATOM 2408 CA LEU C 119 -10.187 11.520 60.237 1.00 35.28 C ATOM 2409 C LEU C 119 -11.018 10.807 59.182 1.00 36.58 C ATOM 2410 O LEU C 119 -11.616 11.456 58.326 1.00 36.49 O ATOM 2411 CB LEU C 119 -8.715 11.484 59.839 1.00 35.70 C ATOM 2412 CG LEU C 119 -7.790 12.404 60.636 1.00 36.23 C ATOM 2413 CD1 LEU C 119 -6.362 12.092 60.260 1.00 36.83 C ATOM 2414 CD2 LEU C 119 -8.108 13.860 60.352 1.00 34.50 C HETATM 2415 N MSE C 120 -11.060 9.478 59.242 1.00 38.60 N HETATM 2416 CA MSE C 120 -11.808 8.693 58.256 1.00 41.13 C HETATM 2417 C MSE C 120 -13.295 8.733 58.582 1.00 40.53 C HETATM 2418 O MSE C 120 -14.149 8.537 57.715 1.00 39.57 O HETATM 2419 CB MSE C 120 -11.299 7.243 58.235 1.00 44.57 C HETATM 2420 CG MSE C 120 -11.954 6.304 57.193 1.00 49.95 C HETATM 2421 SE MSE C 120 -11.439 6.562 55.314 1.00 57.59 HETATM 2422 CE MSE C 120 -12.911 7.753 54.820 1.00 55.43 C ATOM 2423 N ARG C 121 -13.600 9.007 59.838 1.00 40.42 N ATOM 2424 CA ARG C 121 -14.978 9.082 60.257 1.00 41.16 C ATOM 2425 C ARG C 121 -15.539 10.407 59.746 1.00 41.97 C ATOM 2426 O ARG C 121 -16.727 10.511 59.428 1.00 42.23 O ATOM 2427 CB ARG C 121 -15.050 8.994 61.777 1.00 42.42 C ATOM 2428 CG ARG C 121 -16.426 8.716 62.325 1.00 45.46 C ATOM 2429 CD ARG C 121 -16.379 8.471 63.838 1.00 45.87 C ATOM 2430 NE ARG C 121 -15.818 7.175 64.221 1.00 46.43 N ATOM 2431 CZ ARG C 121 -16.365 5.993 63.942 1.00 48.43 C ATOM 2432 NH1 ARG C 121 -17.501 5.915 63.258 1.00 48.88 N ATOM 2433 NH2 ARG C 121 -15.790 4.880 64.380 1.00 49.66 N ATOM 2434 N SER C 122 -14.677 11.420 59.649 1.00 42.06 N ATOM 2435 CA SER C 122 -15.096 12.738 59.153 1.00 41.70 C ATOM 2436 C SER C 122 -15.300 12.721 57.648 1.00 40.97 C ATOM 2437 O SER C 122 -16.223 13.344 57.133 1.00 40.67 O ATOM 2438 CB SER C 122 -14.054 13.811 59.488 1.00 42.82 C ATOM 2439 OG SER C 122 -14.434 15.075 58.953 1.00 44.18 O ATOM 2440 N ILE C 123 -14.424 12.015 56.948 1.00 40.65 N ATOM 2441 CA ILE C 123 -14.525 11.916 55.503 1.00 40.51 C ATOM 2442 C ILE C 123 -15.815 11.207 55.095 1.00 41.01 C ATOM 2443 O ILE C 123 -16.500 11.635 54.171 1.00 39.50 O ATOM 2444 CB ILE C 123 -13.350 11.135 54.928 1.00 40.36 C ATOM 2445 CG1 ILE C 123 -12.038 11.852 55.260 1.00 42.86 C ATOM 2446 CG2 ILE C 123 -13.518 10.994 53.429 1.00 41.99 C ATOM 2447 CD1 ILE C 123 -10.805 11.173 54.667 1.00 42.25 C ATOM 2448 N VAL C 124 -16.140 10.121 55.792 1.00 42.12 N ATOM 2449 CA VAL C 124 -17.337 9.353 55.492 1.00 43.45 C ATOM 2450 C VAL C 124 -18.624 10.119 55.797 1.00 46.73 C ATOM 2451 O VAL C 124 -19.516 10.191 54.945 1.00 48.35 O ATOM 2452 CB VAL C 124 -17.338 8.015 56.257 1.00 41.25 C ATOM 2453 CG1 VAL C 124 -18.649 7.305 56.067 1.00 39.77 C ATOM 2454 CG2 VAL C 124 -16.212 7.142 55.757 1.00 41.58 C ATOM 2455 N ASP C 125 -18.726 10.702 56.991 1.00 48.57 N ATOM 2456 CA ASP C 125 -19.932 11.443 57.352 1.00 49.75 C ATOM 2457 C ASP C 125 -19.912 12.887 56.853 1.00 50.72 C ATOM 2458 O ASP C 125 -18.883 13.319 56.302 1.00 51.53 O ATOM 2459 CB ASP C 125 -20.137 11.432 58.871 1.00 51.10 C ATOM 2460 CG ASP C 125 -20.026 10.034 59.476 1.00 52.86 C ATOM 2461 OD1 ASP C 125 -20.465 9.058 58.822 1.00 52.71 O ATOM 2462 OD2 ASP C 125 -19.506 9.919 60.616 1.00 52.57 O TER 2464 ASP C 125 ATOM 2464 N PHE D 7 -17.090 -6.015 25.736 1.00 34.93 N ATOM 2465 CA PHE D 7 -15.802 -6.239 25.010 1.00 35.25 C ATOM 2466 C PHE D 7 -15.394 -5.074 24.107 1.00 35.41 C ATOM 2467 O PHE D 7 -14.203 -4.802 23.905 1.00 34.62 O ATOM 2468 CB PHE D 7 -15.867 -7.493 24.150 1.00 34.10 C ATOM 2469 CG PHE D 7 -14.566 -7.814 23.505 1.00 34.64 C ATOM 2470 CD1 PHE D 7 -13.511 -8.299 24.267 1.00 34.97 C ATOM 2471 CD2 PHE D 7 -14.367 -7.579 22.150 1.00 35.42 C ATOM 2472 CE1 PHE D 7 -12.269 -8.546 23.694 1.00 33.94 C ATOM 2473 CE2 PHE D 7 -13.131 -7.821 21.563 1.00 35.14 C ATOM 2474 CZ PHE D 7 -12.077 -8.306 22.339 1.00 34.05 C ATOM 2475 N SER D 8 -16.393 -4.403 23.553 1.00 34.05 N ATOM 2476 CA SER D 8 -16.160 -3.263 22.687 1.00 35.05 C ATOM 2477 C SER D 8 -15.307 -2.223 23.424 1.00 34.56 C ATOM 2478 O SER D 8 -14.290 -1.744 22.911 1.00 34.22 O ATOM 2479 CB SER D 8 -17.508 -2.648 22.272 1.00 36.17 C ATOM 2480 OG SER D 8 -17.336 -1.459 21.511 1.00 37.32 O ATOM 2481 N ALA D 9 -15.725 -1.881 24.638 1.00 32.77 N ATOM 2482 CA ALA D 9 -14.998 -0.903 25.433 1.00 30.96 C ATOM 2483 C ALA D 9 -13.589 -1.390 25.728 1.00 29.26 C ATOM 2484 O ALA D 9 -12.620 -0.630 25.653 1.00 29.30 O ATOM 2485 CB ALA D 9 -15.736 -0.642 26.739 1.00 30.94 C ATOM 2486 N LEU D 10 -13.487 -2.666 26.079 1.00 28.79 N ATOM 2487 CA LEU D 10 -12.206 -3.270 26.410 1.00 26.28 C ATOM 2488 C LEU D 10 -11.288 -3.224 25.211 1.00 26.38 C ATOM 2489 O LEU D 10 -10.131 -2.798 25.309 1.00 26.31 O ATOM 2490 CB LEU D 10 -12.423 -4.711 26.856 1.00 24.68 C ATOM 2491 CG LEU D 10 -11.194 -5.603 27.011 1.00 24.37 C ATOM 2492 CD1 LEU D 10 -10.102 -4.966 27.870 1.00 24.05 C ATOM 2493 CD2 LEU D 10 -11.668 -6.910 27.617 1.00 23.98 C ATOM 2494 N TRP D 11 -11.807 -3.662 24.073 1.00 25.88 N ATOM 2495 CA TRP D 11 -11.020 -3.660 22.851 1.00 27.38 C ATOM 2496 C TRP D 11 -10.429 -2.261 22.581 1.00 28.80 C ATOM 2497 O TRP D 11 -9.217 -2.128 22.346 1.00 30.44 O ATOM 2498 CB TRP D 11 -11.895 -4.107 21.668 1.00 27.89 C ATOM 2499 CG TRP D 11 -11.161 -4.273 20.370 1.00 27.17 C ATOM 2500 CD1 TRP D 11 -11.424 -3.631 19.192 1.00 27.78 C ATOM 2501 CD2 TRP D 11 -10.048 -5.134 20.115 1.00 27.46 C ATOM 2502 NE1 TRP D 11 -10.543 -4.036 18.216 1.00 27.29 N ATOM 2503 CE2 TRP D 11 -9.687 -4.959 18.755 1.00 27.87 C ATOM 2504 CE3 TRP D 11 -9.320 -6.039 20.899 1.00 26.28 C ATOM 2505 CZ2 TRP D 11 -8.629 -5.654 18.164 1.00 27.01 C ATOM 2506 CZ3 TRP D 11 -8.269 -6.732 20.316 1.00 27.12 C ATOM 2507 CH2 TRP D 11 -7.930 -6.535 18.954 1.00 27.96 C ATOM 2508 N GLN D 12 -11.274 -1.222 22.622 1.00 27.19 N ATOM 2509 CA GLN D 12 -10.807 0.148 22.360 1.00 25.64 C ATOM 2510 C GLN D 12 -9.773 0.635 23.391 1.00 27.40 C ATOM 2511 O GLN D 12 -8.865 1.421 23.066 1.00 26.06 O ATOM 2512 CB GLN D 12 -11.985 1.128 22.308 1.00 23.00 C ATOM 2513 CG GLN D 12 -12.952 0.912 21.144 1.00 21.95 C ATOM 2514 CD GLN D 12 -12.279 0.965 19.766 1.00 20.03 C ATOM 2515 OE1 GLN D 12 -11.567 1.926 19.447 1.00 20.07 O ATOM 2516 NE2 GLN D 12 -12.521 -0.061 18.939 1.00 13.82 N ATOM 2517 N ARG D 13 -9.914 0.164 24.631 1.00 27.20 N ATOM 2518 CA ARG D 13 -8.991 0.522 25.701 1.00 27.62 C ATOM 2519 C ARG D 13 -7.615 -0.075 25.412 1.00 27.47 C ATOM 2520 O ARG D 13 -6.580 0.537 25.692 1.00 25.50 O ATOM 2521 CB ARG D 13 -9.518 0.001 27.047 1.00 29.84 C ATOM 2522 CG ARG D 13 -10.532 0.917 27.737 1.00 31.61 C ATOM 2523 CD ARG D 13 -11.161 0.231 28.950 1.00 33.28 C ATOM 2524 NE ARG D 13 -10.180 -0.405 29.834 1.00 33.23 N ATOM 2525 CZ ARG D 13 -10.470 -1.408 30.657 1.00 34.59 C ATOM 2526 NH1 ARG D 13 -11.712 -1.882 30.699 1.00 34.54 N ATOM 2527 NH2 ARG D 13 -9.526 -1.941 31.430 1.00 34.36 N ATOM 2528 N LEU D 14 -7.620 -1.277 24.840 1.00 27.04 N ATOM 2529 CA LEU D 14 -6.392 -1.980 24.505 1.00 25.96 C ATOM 2530 C LEU D 14 -5.667 -1.310 23.358 1.00 25.95 C ATOM 2531 O LEU D 14 -4.436 -1.240 23.353 1.00 27.30 O ATOM 2532 CB LEU D 14 -6.713 -3.428 24.147 1.00 26.45 C ATOM 2533 CG LEU D 14 -7.219 -4.260 25.338 1.00 27.45 C ATOM 2534 CD1 LEU D 14 -7.888 -5.551 24.855 1.00 26.70 C ATOM 2535 CD2 LEU D 14 -6.044 -4.560 26.253 1.00 26.28 C ATOM 2536 N LEU D 15 -6.424 -0.816 22.382 1.00 25.56 N ATOM 2537 CA LEU D 15 -5.818 -0.139 21.239 1.00 25.22 C ATOM 2538 C LEU D 15 -5.399 1.278 21.601 1.00 25.92 C ATOM 2539 O LEU D 15 -4.411 1.790 21.085 1.00 27.14 O ATOM 2540 CB LEU D 15 -6.788 -0.110 20.065 1.00 23.61 C ATOM 2541 CG LEU D 15 -7.073 -1.478 19.456 1.00 22.75 C ATOM 2542 CD1 LEU D 15 -8.064 -1.335 18.311 1.00 22.84 C ATOM 2543 CD2 LEU D 15 -5.773 -2.096 18.964 1.00 21.53 C ATOM 2544 N THR D 16 -6.152 1.922 22.483 1.00 25.92 N ATOM 2545 CA THR D 16 -5.782 3.266 22.886 1.00 25.40 C ATOM 2546 C THR D 16 -4.459 3.199 23.659 1.00 26.32 C ATOM 2547 O THR D 16 -3.836 4.230 23.919 1.00 26.50 O ATOM 2548 CB THR D 16 -6.884 3.910 23.739 1.00 25.22 C ATOM 2549 OG1 THR D 16 -8.082 4.008 22.960 1.00 23.49 O ATOM 2550 CG2 THR D 16 -6.473 5.289 24.195 1.00 24.48 C ATOM 2551 N ARG D 17 -4.041 1.979 24.013 1.00 26.09 N ATOM 2552 CA ARG D 17 -2.787 1.743 24.725 1.00 25.76 C ATOM 2553 C ARG D 17 -1.681 1.700 23.705 1.00 25.51 C ATOM 2554 O ARG D 17 -0.510 1.733 24.059 1.00 25.70 O ATOM 2555 CB ARG D 17 -2.802 0.401 25.477 1.00 26.92 C ATOM 2556 CG ARG D 17 -3.542 0.391 26.828 1.00 30.39 C ATOM 2557 CD ARG D 17 -3.441 -0.978 27.535 1.00 30.25 C ATOM 2558 NE ARG D 17 -4.122 -0.994 28.844 1.00 31.60 N ATOM 2559 CZ ARG D 17 -3.529 -0.772 30.018 1.00 29.77 C ATOM 2560 NH1 ARG D 17 -2.229 -0.520 30.086 1.00 28.63 N ATOM 2561 NH2 ARG D 17 -4.244 -0.791 31.128 1.00 29.65 N ATOM 2562 N GLY D 18 -2.050 1.607 22.431 1.00 26.61 N ATOM 2563 CA GLY D 18 -1.047 1.559 21.379 1.00 27.21 C ATOM 2564 C GLY D 18 -0.721 0.142 20.950 1.00 28.81 C ATOM 2565 O GLY D 18 -0.074 -0.067 19.931 1.00 29.82 O ATOM 2566 N TRP D 19 -1.176 -0.828 21.736 1.00 30.59 N ATOM 2567 CA TRP D 19 -0.959 -2.248 21.465 1.00 32.47 C ATOM 2568 C TRP D 19 -1.528 -2.657 20.111 1.00 33.66 C ATOM 2569 O TRP D 19 -2.672 -2.334 19.788 1.00 36.07 O ATOM 2570 CB TRP D 19 -1.602 -3.076 22.575 1.00 33.08 C ATOM 2571 CG TRP D 19 -0.965 -2.832 23.913 1.00 33.30 C ATOM 2572 CD1 TRP D 19 0.225 -2.221 24.142 1.00 32.80 C ATOM 2573 CD2 TRP D 19 -1.460 -3.246 25.197 1.00 33.90 C ATOM 2574 NE1 TRP D 19 0.507 -2.228 25.481 1.00 34.06 N ATOM 2575 CE2 TRP D 19 -0.514 -2.851 26.152 1.00 33.86 C ATOM 2576 CE3 TRP D 19 -2.612 -3.915 25.629 1.00 34.31 C ATOM 2577 CZ2 TRP D 19 -0.681 -3.100 27.517 1.00 33.99 C ATOM 2578 CZ3 TRP D 19 -2.769 -4.162 26.991 1.00 34.76 C ATOM 2579 CH2 TRP D 19 -1.811 -3.755 27.910 1.00 33.51 C ATOM 2580 N GLN D 20 -0.739 -3.384 19.327 1.00 33.85 N ATOM 2581 CA GLN D 20 -1.177 -3.793 17.996 1.00 32.61 C ATOM 2582 C GLN D 20 -1.986 -5.086 17.932 1.00 30.42 C ATOM 2583 O GLN D 20 -1.668 -6.064 18.600 1.00 29.51 O ATOM 2584 CB GLN D 20 0.044 -3.895 17.066 1.00 34.40 C ATOM 2585 CG GLN D 20 0.815 -2.581 16.904 1.00 37.58 C ATOM 2586 CD GLN D 20 -0.091 -1.418 16.498 1.00 40.05 C ATOM 2587 OE1 GLN D 20 -0.891 -1.531 15.553 1.00 39.48 O ATOM 2588 NE2 GLN D 20 0.029 -0.290 17.213 1.00 40.26 N ATOM 2589 N PRO D 21 -3.051 -5.096 17.115 1.00 28.77 N ATOM 2590 CA PRO D 21 -3.959 -6.230 16.895 1.00 28.07 C ATOM 2591 C PRO D 21 -3.295 -7.293 16.012 1.00 28.20 C ATOM 2592 O PRO D 21 -2.584 -6.960 15.053 1.00 28.69 O ATOM 2593 CB PRO D 21 -5.142 -5.603 16.147 1.00 27.96 C ATOM 2594 CG PRO D 21 -5.023 -4.143 16.406 1.00 28.34 C ATOM 2595 CD PRO D 21 -3.541 -3.911 16.401 1.00 28.44 C ATOM 2596 N VAL D 22 -3.533 -8.564 16.313 1.00 27.59 N ATOM 2597 CA VAL D 22 -2.955 -9.626 15.504 1.00 27.73 C ATOM 2598 C VAL D 22 -3.983 -10.663 15.157 1.00 28.86 C ATOM 2599 O VAL D 22 -4.642 -11.197 16.034 1.00 30.45 O ATOM 2600 CB VAL D 22 -1.816 -10.353 16.225 1.00 26.28 C ATOM 2601 CG1 VAL D 22 -0.653 -9.386 16.468 1.00 23.68 C ATOM 2602 CG2 VAL D 22 -2.321 -10.937 17.511 1.00 24.26 C ATOM 2603 N GLU D 23 -4.133 -10.929 13.868 1.00 31.24 N ATOM 2604 CA GLU D 23 -5.063 -11.945 13.404 1.00 33.42 C ATOM 2605 C GLU D 23 -4.293 -13.254 13.562 1.00 34.16 C ATOM 2606 O GLU D 23 -3.200 -13.270 14.141 1.00 35.70 O ATOM 2607 CB GLU D 23 -5.395 -11.715 11.927 1.00 34.96 C ATOM 2608 CG GLU D 23 -6.574 -10.794 11.672 1.00 37.91 C ATOM 2609 CD GLU D 23 -6.295 -9.343 12.029 1.00 40.77 C ATOM 2610 OE1 GLU D 23 -5.324 -8.762 11.483 1.00 42.35 O ATOM 2611 OE2 GLU D 23 -7.060 -8.774 12.846 1.00 41.48 O ATOM 2612 N ALA D 24 -4.837 -14.353 13.054 1.00 35.05 N ATOM 2613 CA ALA D 24 -4.118 -15.624 13.145 1.00 35.31 C ATOM 2614 C ALA D 24 -2.890 -15.525 12.211 1.00 36.32 C ATOM 2615 O ALA D 24 -2.478 -16.508 11.589 1.00 35.83 O ATOM 2616 CB ALA D 24 -5.036 -16.774 12.721 1.00 37.11 C ATOM 2617 N SER D 25 -2.320 -14.318 12.120 1.00 34.50 N ATOM 2618 CA SER D 25 -1.164 -14.052 11.269 1.00 32.35 C ATOM 2619 C SER D 25 -0.325 -12.862 11.770 1.00 32.75 C ATOM 2620 O SER D 25 0.373 -12.941 12.784 1.00 31.33 O ATOM 2621 CB SER D 25 -1.645 -13.776 9.848 1.00 27.33 C ATOM 2622 OG SER D 25 -2.622 -14.725 9.490 1.00 21.34 O ATOM 2623 N VAL D 34 9.424 -11.828 15.151 1.00 43.54 N ATOM 2624 CA VAL D 34 8.674 -10.918 16.005 1.00 43.41 C ATOM 2625 C VAL D 34 9.596 -10.109 16.943 1.00 44.24 C ATOM 2626 O VAL D 34 9.646 -8.875 16.865 1.00 46.08 O ATOM 2627 CB VAL D 34 7.551 -11.690 16.823 1.00 41.83 C ATOM 2628 CG1 VAL D 34 6.269 -11.744 16.009 1.00 41.48 C ATOM 2629 CG2 VAL D 34 7.981 -13.123 17.147 1.00 39.00 C ATOM 2630 N GLY D 35 10.342 -10.798 17.804 1.00 44.18 N ATOM 2631 CA GLY D 35 11.233 -10.113 18.724 1.00 43.21 C ATOM 2632 C GLY D 35 10.784 -10.299 20.164 1.00 43.68 C ATOM 2633 O GLY D 35 10.313 -11.371 20.539 1.00 43.42 O ATOM 2634 N ASP D 36 10.932 -9.252 20.971 1.00 44.37 N ATOM 2635 CA ASP D 36 10.526 -9.287 22.369 1.00 44.50 C ATOM 2636 C ASP D 36 9.140 -8.677 22.516 1.00 43.39 C ATOM 2637 O ASP D 36 8.978 -7.454 22.441 1.00 43.37 O ATOM 2638 CB ASP D 36 11.515 -8.503 23.226 1.00 47.65 C ATOM 2639 CG ASP D 36 12.896 -9.100 23.200 1.00 49.97 C ATOM 2640 OD1 ASP D 36 12.994 -10.340 23.340 1.00 51.90 O ATOM 2641 OD2 ASP D 36 13.881 -8.337 23.054 1.00 52.01 O ATOM 2642 N GLY D 37 8.144 -9.533 22.741 1.00 41.63 N ATOM 2643 CA GLY D 37 6.771 -9.063 22.880 1.00 37.95 C ATOM 2644 C GLY D 37 5.850 -10.087 23.517 1.00 35.95 C ATOM 2645 O GLY D 37 6.185 -11.266 23.622 1.00 36.19 O ATOM 2646 N VAL D 38 4.677 -9.646 23.939 1.00 33.69 N ATOM 2647 CA VAL D 38 3.741 -10.549 24.572 1.00 30.75 C ATOM 2648 C VAL D 38 2.356 -10.384 23.916 1.00 29.98 C ATOM 2649 O VAL D 38 1.995 -9.284 23.459 1.00 29.73 O ATOM 2650 CB VAL D 38 3.697 -10.241 26.071 1.00 31.83 C ATOM 2651 CG1 VAL D 38 2.614 -9.191 26.374 1.00 32.17 C ATOM 2652 CG2 VAL D 38 3.511 -11.517 26.851 1.00 33.06 C ATOM 2653 N ILE D 39 1.586 -11.472 23.848 1.00 26.92 N ATOM 2654 CA ILE D 39 0.267 -11.436 23.205 1.00 25.36 C ATOM 2655 C ILE D 39 -0.850 -11.727 24.193 1.00 24.40 C ATOM 2656 O ILE D 39 -0.811 -12.730 24.896 1.00 23.71 O ATOM 2657 CB ILE D 39 0.164 -12.470 22.021 1.00 24.62 C ATOM 2658 CG1 ILE D 39 1.219 -12.177 20.947 1.00 22.32 C ATOM 2659 CG2 ILE D 39 -1.207 -12.355 21.334 1.00 24.88 C ATOM 2660 CD1 ILE D 39 1.153 -13.149 19.783 1.00 19.39 C ATOM 2661 N LEU D 40 -1.850 -10.849 24.246 1.00 23.43 N ATOM 2662 CA LEU D 40 -2.965 -11.044 25.169 1.00 22.81 C ATOM 2663 C LEU D 40 -4.181 -11.540 24.435 1.00 22.76 C ATOM 2664 O LEU D 40 -4.660 -10.902 23.489 1.00 23.16 O ATOM 2665 CB LEU D 40 -3.337 -9.741 25.884 1.00 22.52 C ATOM 2666 CG LEU D 40 -2.234 -8.884 26.496 1.00 22.23 C ATOM 2667 CD1 LEU D 40 -2.922 -7.777 27.216 1.00 21.38 C ATOM 2668 CD2 LEU D 40 -1.335 -9.692 27.438 1.00 23.00 C ATOM 2669 N LEU D 41 -4.677 -12.685 24.884 1.00 22.86 N ATOM 2670 CA LEU D 41 -5.858 -13.314 24.302 1.00 23.85 C ATOM 2671 C LEU D 41 -7.006 -13.067 25.254 1.00 23.74 C ATOM 2672 O LEU D 41 -6.878 -13.297 26.455 1.00 23.40 O ATOM 2673 CB LEU D 41 -5.654 -14.822 24.170 1.00 23.72 C ATOM 2674 CG LEU D 41 -4.461 -15.322 23.365 1.00 21.75 C ATOM 2675 CD1 LEU D 41 -4.424 -16.817 23.452 1.00 20.90 C ATOM 2676 CD2 LEU D 41 -4.572 -14.861 21.931 1.00 22.07 C ATOM 2677 N SER D 42 -8.130 -12.624 24.709 1.00 25.46 N ATOM 2678 CA SER D 42 -9.304 -12.319 25.515 1.00 26.27 C ATOM 2679 C SER D 42 -10.538 -13.175 25.261 1.00 28.56 C ATOM 2680 O SER D 42 -10.763 -13.673 24.159 1.00 30.24 O ATOM 2681 CB SER D 42 -9.670 -10.853 25.328 1.00 23.85 C ATOM 2682 OG SER D 42 -8.747 -10.036 26.020 1.00 23.16 O ATOM 2683 N SER D 43 -11.328 -13.352 26.310 1.00 31.61 N ATOM 2684 CA SER D 43 -12.565 -14.103 26.221 1.00 34.26 C ATOM 2685 C SER D 43 -13.666 -13.101 26.468 1.00 35.58 C ATOM 2686 O SER D 43 -13.411 -12.057 27.050 1.00 36.08 O ATOM 2687 CB SER D 43 -12.626 -15.155 27.301 1.00 35.52 C ATOM 2688 OG SER D 43 -13.853 -15.845 27.194 1.00 38.96 O ATOM 2689 N ASP D 44 -14.888 -13.411 26.048 1.00 38.54 N ATOM 2690 CA ASP D 44 -16.003 -12.482 26.247 1.00 41.77 C ATOM 2691 C ASP D 44 -16.070 -11.995 27.696 1.00 43.56 C ATOM 2692 O ASP D 44 -16.257 -12.781 28.616 1.00 43.27 O ATOM 2693 CB ASP D 44 -17.333 -13.130 25.837 1.00 42.13 C ATOM 2694 CG ASP D 44 -18.509 -12.148 25.891 1.00 45.10 C ATOM 2695 OD1 ASP D 44 -18.262 -10.923 25.759 1.00 45.37 O ATOM 2696 OD2 ASP D 44 -19.680 -12.593 26.052 1.00 44.87 O ATOM 2697 N PRO D 45 -15.910 -10.676 27.903 1.00 46.89 N ATOM 2698 CA PRO D 45 -15.924 -9.979 29.194 1.00 49.91 C ATOM 2699 C PRO D 45 -17.044 -10.353 30.165 1.00 51.60 C ATOM 2700 O PRO D 45 -16.930 -10.109 31.367 1.00 52.63 O ATOM 2701 CB PRO D 45 -15.988 -8.506 28.788 1.00 50.19 C ATOM 2702 CG PRO D 45 -15.179 -8.484 27.540 1.00 49.38 C ATOM 2703 CD PRO D 45 -15.705 -9.709 26.808 1.00 48.99 C ATOM 2704 N ARG D 46 -18.129 -10.935 29.665 1.00 54.21 N ATOM 2705 CA ARG D 46 -19.222 -11.318 30.556 1.00 56.20 C ATOM 2706 C ARG D 46 -18.773 -12.508 31.403 1.00 57.27 C ATOM 2707 O ARG D 46 -19.510 -13.471 31.615 1.00 57.53 O ATOM 2708 CB ARG D 46 -20.464 -11.643 29.731 1.00 56.77 C ATOM 2709 CG ARG D 46 -20.930 -10.451 28.878 1.00 57.44 C ATOM 2710 CD ARG D 46 -21.601 -10.906 27.597 1.00 57.41 C ATOM 2711 NE ARG D 46 -21.856 -9.807 26.673 1.00 58.00 N ATOM 2712 CZ ARG D 46 -22.122 -9.972 25.378 1.00 59.23 C ATOM 2713 NH1 ARG D 46 -22.163 -11.188 24.848 1.00 59.14 N ATOM 2714 NH2 ARG D 46 -22.357 -8.921 24.608 1.00 59.11 N ATOM 2715 N ARG D 47 -17.500 -12.352 31.810 1.00 58.78 N ATOM 2716 CA ARG D 47 -16.845 -13.341 32.648 1.00 60.94 C ATOM 2717 C ARG D 47 -15.395 -12.885 32.841 1.00 61.13 C ATOM 2718 O ARG D 47 -14.632 -12.751 31.882 1.00 59.56 O ATOM 2719 CB ARG D 47 -16.872 -14.713 31.982 1.00 63.12 C ATOM 2720 CG ARG D 47 -16.269 -15.797 32.844 1.00 67.52 C ATOM 2721 CD ARG D 47 -17.069 -15.977 34.125 1.00 69.59 C ATOM 2722 NE ARG D 47 -16.338 -16.750 35.131 1.00 72.57 N ATOM 2723 CZ ARG D 47 -15.293 -16.292 35.810 1.00 73.35 C ATOM 2724 NH1 ARG D 47 -14.846 -15.061 35.601 1.00 72.65 N ATOM 2725 NH2 ARG D 47 -14.699 -17.063 36.707 1.00 73.45 N ATOM 2726 N SER D 52 -10.658 -9.223 31.365 1.00 44.28 N ATOM 2727 CA SER D 52 -10.884 -7.778 31.381 1.00 44.91 C ATOM 2728 C SER D 52 -9.993 -7.055 32.398 1.00 44.19 C ATOM 2729 O SER D 52 -9.883 -5.831 32.382 1.00 43.59 O ATOM 2730 CB SER D 52 -12.353 -7.477 31.685 1.00 46.00 C ATOM 2731 OG SER D 52 -12.577 -6.078 31.718 1.00 49.09 O ATOM 2732 N ASP D 53 -9.375 -7.819 33.292 1.00 44.36 N ATOM 2733 CA ASP D 53 -8.472 -7.262 34.294 1.00 43.58 C ATOM 2734 C ASP D 53 -7.060 -7.693 33.908 1.00 41.01 C ATOM 2735 O ASP D 53 -6.087 -7.328 34.551 1.00 40.45 O ATOM 2736 CB ASP D 53 -8.801 -7.805 35.696 1.00 46.14 C ATOM 2737 CG ASP D 53 -10.077 -7.214 36.280 1.00 49.47 C ATOM 2738 OD1 ASP D 53 -10.508 -7.667 37.368 1.00 51.57 O ATOM 2739 OD2 ASP D 53 -10.648 -6.295 35.659 1.00 51.09 O ATOM 2740 N ASN D 54 -6.963 -8.478 32.845 1.00 39.29 N ATOM 2741 CA ASN D 54 -5.679 -8.984 32.375 1.00 37.67 C ATOM 2742 C ASN D 54 -4.696 -7.897 31.919 1.00 36.07 C ATOM 2743 O ASN D 54 -3.491 -8.000 32.145 1.00 35.86 O ATOM 2744 CB ASN D 54 -5.914 -9.979 31.241 1.00 37.78 C ATOM 2745 CG ASN D 54 -4.643 -10.669 30.804 1.00 38.79 C ATOM 2746 OD1 ASN D 54 -3.892 -11.196 31.636 1.00 39.51 O ATOM 2747 ND2 ASN D 54 -4.389 -10.679 29.491 1.00 38.58 N ATOM 2748 N PRO D 55 -5.200 -6.841 31.267 1.00 35.96 N ATOM 2749 CA PRO D 55 -4.311 -5.774 30.806 1.00 35.12 C ATOM 2750 C PRO D 55 -3.474 -5.132 31.906 1.00 33.72 C ATOM 2751 O PRO D 55 -2.243 -5.139 31.842 1.00 34.65 O ATOM 2752 CB PRO D 55 -5.274 -4.794 30.160 1.00 35.66 C ATOM 2753 CG PRO D 55 -6.332 -5.695 29.606 1.00 34.33 C ATOM 2754 CD PRO D 55 -6.569 -6.626 30.768 1.00 34.86 C ATOM 2755 N VAL D 56 -4.132 -4.572 32.914 1.00 33.61 N ATOM 2756 CA VAL D 56 -3.412 -3.913 34.008 1.00 34.02 C ATOM 2757 C VAL D 56 -2.334 -4.776 34.644 1.00 33.41 C ATOM 2758 O VAL D 56 -1.239 -4.286 34.914 1.00 33.96 O ATOM 2759 CB VAL D 56 -4.372 -3.444 35.142 1.00 32.26 C ATOM 2760 CG1 VAL D 56 -5.448 -2.510 34.571 1.00 31.36 C ATOM 2761 CG2 VAL D 56 -5.026 -4.644 35.827 1.00 28.09 C HETATM 2762 N MSE D 57 -2.644 -6.049 34.894 1.00 34.88 N HETATM 2763 CA MSE D 57 -1.681 -6.962 35.518 1.00 36.95 C HETATM 2764 C MSE D 57 -0.486 -7.213 34.615 1.00 34.99 C HETATM 2765 O MSE D 57 0.664 -7.207 35.061 1.00 34.17 O HETATM 2766 CB MSE D 57 -2.330 -8.305 35.856 1.00 41.52 C HETATM 2767 CG MSE D 57 -3.267 -8.277 37.037 1.00 48.90 C HETATM 2768 SE MSE D 57 -3.817 -10.080 37.576 1.00 62.17 HETATM 2769 CE MSE D 57 -5.467 -10.221 36.514 1.00 55.32 C ATOM 2770 N ILE D 58 -0.767 -7.457 33.344 1.00 32.87 N ATOM 2771 CA ILE D 58 0.291 -7.682 32.390 1.00 30.72 C ATOM 2772 C ILE D 58 1.126 -6.403 32.394 1.00 29.78 C ATOM 2773 O ILE D 58 2.351 -6.456 32.565 1.00 30.83 O ATOM 2774 CB ILE D 58 -0.285 -7.949 30.979 1.00 30.70 C ATOM 2775 CG1 ILE D 58 -1.235 -9.167 31.013 1.00 30.43 C ATOM 2776 CG2 ILE D 58 0.843 -8.130 29.992 1.00 30.32 C ATOM 2777 CD1 ILE D 58 -0.646 -10.437 31.628 1.00 30.46 C ATOM 2778 N ALA D 59 0.458 -5.257 32.238 1.00 28.73 N ATOM 2779 CA ALA D 59 1.127 -3.952 32.237 1.00 28.77 C ATOM 2780 C ALA D 59 2.103 -3.890 33.394 1.00 28.68 C ATOM 2781 O ALA D 59 3.242 -3.458 33.233 1.00 29.71 O ATOM 2782 CB ALA D 59 0.099 -2.839 32.366 1.00 27.26 C ATOM 2783 N GLU D 60 1.651 -4.342 34.558 1.00 28.68 N ATOM 2784 CA GLU D 60 2.494 -4.358 35.743 1.00 29.57 C ATOM 2785 C GLU D 60 3.653 -5.357 35.581 1.00 30.60 C ATOM 2786 O GLU D 60 4.780 -5.060 35.971 1.00 30.37 O ATOM 2787 CB GLU D 60 1.671 -4.744 36.970 1.00 29.24 C ATOM 2788 CG GLU D 60 1.673 -3.713 38.109 1.00 31.59 C ATOM 2789 CD GLU D 60 3.056 -3.374 38.641 1.00 31.81 C ATOM 2790 OE1 GLU D 60 3.351 -2.171 38.767 1.00 34.18 O ATOM 2791 OE2 GLU D 60 3.844 -4.288 38.953 1.00 30.82 O ATOM 2792 N LEU D 61 3.380 -6.528 35.001 1.00 31.18 N ATOM 2793 CA LEU D 61 4.410 -7.548 34.839 1.00 31.10 C ATOM 2794 C LEU D 61 5.598 -7.064 34.045 1.00 31.89 C ATOM 2795 O LEU D 61 6.757 -7.186 34.468 1.00 30.55 O ATOM 2796 CB LEU D 61 3.853 -8.782 34.147 1.00 29.56 C ATOM 2797 CG LEU D 61 3.755 -10.045 35.009 1.00 30.55 C ATOM 2798 CD1 LEU D 61 3.414 -11.218 34.092 1.00 29.67 C ATOM 2799 CD2 LEU D 61 5.056 -10.314 35.755 1.00 28.94 C ATOM 2800 N LEU D 62 5.291 -6.545 32.863 1.00 33.98 N ATOM 2801 CA LEU D 62 6.300 -6.022 31.951 1.00 34.59 C ATOM 2802 C LEU D 62 7.120 -4.982 32.709 1.00 34.57 C ATOM 2803 O LEU D 62 8.350 -4.933 32.620 1.00 33.82 O ATOM 2804 CB LEU D 62 5.618 -5.371 30.739 1.00 34.88 C ATOM 2805 CG LEU D 62 4.683 -6.232 29.879 1.00 35.65 C ATOM 2806 CD1 LEU D 62 4.266 -5.448 28.634 1.00 34.11 C ATOM 2807 CD2 LEU D 62 5.400 -7.509 29.452 1.00 36.84 C ATOM 2808 N ARG D 63 6.417 -4.154 33.468 1.00 35.87 N ATOM 2809 CA ARG D 63 7.065 -3.121 34.265 1.00 38.24 C ATOM 2810 C ARG D 63 8.093 -3.746 35.210 1.00 39.09 C ATOM 2811 O ARG D 63 9.184 -3.203 35.393 1.00 40.24 O ATOM 2812 CB ARG D 63 6.014 -2.351 35.068 1.00 38.32 C ATOM 2813 CG ARG D 63 6.220 -0.855 35.092 1.00 38.00 C ATOM 2814 CD ARG D 63 5.008 -0.160 35.699 1.00 39.01 C ATOM 2815 NE ARG D 63 3.914 0.073 34.751 1.00 39.56 N ATOM 2816 CZ ARG D 63 2.679 -0.401 34.901 1.00 39.74 C ATOM 2817 NH1 ARG D 63 2.377 -1.150 35.956 1.00 40.35 N ATOM 2818 NH2 ARG D 63 1.739 -0.100 34.013 1.00 39.44 N ATOM 2819 N GLU D 64 7.757 -4.891 35.800 1.00 38.37 N ATOM 2820 CA GLU D 64 8.685 -5.542 36.723 1.00 38.90 C ATOM 2821 C GLU D 64 9.763 -6.341 35.991 1.00 39.52 C ATOM 2822 O GLU D 64 10.555 -7.038 36.615 1.00 38.75 O ATOM 2823 CB GLU D 64 7.934 -6.442 37.721 1.00 38.04 C ATOM 2824 CG GLU D 64 6.536 -5.925 38.099 1.00 38.16 C ATOM 2825 CD GLU D 64 6.183 -6.045 39.586 1.00 39.01 C ATOM 2826 OE1 GLU D 64 6.435 -7.107 40.210 1.00 39.55 O ATOM 2827 OE2 GLU D 64 5.623 -5.064 40.133 1.00 37.55 O ATOM 2828 N PHE D 65 9.790 -6.238 34.665 1.00 39.77 N ATOM 2829 CA PHE D 65 10.798 -6.924 33.878 1.00 40.22 C ATOM 2830 C PHE D 65 11.386 -5.987 32.835 1.00 42.42 C ATOM 2831 O PHE D 65 11.134 -6.135 31.646 1.00 43.53 O ATOM 2832 CB PHE D 65 10.203 -8.146 33.201 1.00 38.73 C ATOM 2833 CG PHE D 65 10.090 -9.326 34.102 1.00 38.69 C ATOM 2834 CD1 PHE D 65 9.088 -9.397 35.054 1.00 38.15 C ATOM 2835 CD2 PHE D 65 11.012 -10.361 34.024 1.00 38.34 C ATOM 2836 CE1 PHE D 65 9.007 -10.487 35.921 1.00 37.49 C ATOM 2837 CE2 PHE D 65 10.936 -11.450 34.887 1.00 37.85 C ATOM 2838 CZ PHE D 65 9.932 -11.512 35.836 1.00 37.27 C ATOM 2839 N PRO D 66 12.180 -4.998 33.275 1.00 44.54 N ATOM 2840 CA PRO D 66 12.816 -4.017 32.389 1.00 44.73 C ATOM 2841 C PRO D 66 13.861 -4.578 31.434 1.00 44.41 C ATOM 2842 O PRO D 66 14.317 -3.875 30.539 1.00 46.56 O ATOM 2843 CB PRO D 66 13.432 -3.022 33.369 1.00 46.74 C ATOM 2844 CG PRO D 66 12.518 -3.099 34.555 1.00 47.54 C ATOM 2845 CD PRO D 66 12.324 -4.588 34.685 1.00 46.03 C ATOM 2846 N GLN D 67 14.250 -5.831 31.618 1.00 43.37 N ATOM 2847 CA GLN D 67 15.256 -6.411 30.745 1.00 42.73 C ATOM 2848 C GLN D 67 14.910 -6.250 29.269 1.00 42.70 C ATOM 2849 O GLN D 67 15.652 -5.621 28.527 1.00 43.26 O ATOM 2850 CB GLN D 67 15.454 -7.884 31.068 1.00 41.74 C ATOM 2851 CG GLN D 67 15.675 -8.132 32.531 1.00 40.40 C ATOM 2852 CD GLN D 67 14.395 -8.433 33.257 1.00 38.51 C ATOM 2853 OE1 GLN D 67 13.507 -7.599 33.343 1.00 37.69 O ATOM 2854 NE2 GLN D 67 14.292 -9.640 33.789 1.00 39.81 N ATOM 2855 N PHE D 68 13.777 -6.801 28.848 1.00 43.43 N ATOM 2856 CA PHE D 68 13.369 -6.709 27.447 1.00 44.59 C ATOM 2857 C PHE D 68 12.525 -5.480 27.183 1.00 45.86 C ATOM 2858 O PHE D 68 11.861 -4.960 28.091 1.00 46.96 O ATOM 2859 CB PHE D 68 12.550 -7.928 27.048 1.00 44.45 C ATOM 2860 CG PHE D 68 13.027 -9.186 27.673 1.00 44.18 C ATOM 2861 CD1 PHE D 68 12.732 -9.468 29.005 1.00 42.67 C ATOM 2862 CD2 PHE D 68 13.797 -10.081 26.940 1.00 44.20 C ATOM 2863 CE1 PHE D 68 13.194 -10.623 29.601 1.00 43.53 C ATOM 2864 CE2 PHE D 68 14.270 -11.244 27.520 1.00 44.26 C ATOM 2865 CZ PHE D 68 13.968 -11.521 28.860 1.00 44.68 C ATOM 2866 N ASP D 69 12.543 -5.005 25.939 1.00 44.67 N ATOM 2867 CA ASP D 69 11.714 -3.853 25.597 1.00 43.48 C ATOM 2868 C ASP D 69 10.449 -4.459 25.011 1.00 42.36 C ATOM 2869 O ASP D 69 10.134 -4.288 23.837 1.00 43.13 O ATOM 2870 CB ASP D 69 12.393 -2.947 24.579 1.00 45.37 C ATOM 2871 CG ASP D 69 11.870 -1.531 24.651 1.00 47.17 C ATOM 2872 OD1 ASP D 69 10.628 -1.359 24.755 1.00 46.36 O ATOM 2873 OD2 ASP D 69 12.702 -0.597 24.614 1.00 48.58 O ATOM 2874 N TRP D 70 9.744 -5.200 25.859 1.00 41.01 N ATOM 2875 CA TRP D 70 8.526 -5.887 25.476 1.00 37.98 C ATOM 2876 C TRP D 70 7.608 -5.072 24.581 1.00 37.55 C ATOM 2877 O TRP D 70 7.443 -3.870 24.776 1.00 37.94 O ATOM 2878 CB TRP D 70 7.741 -6.294 26.722 1.00 36.58 C ATOM 2879 CG TRP D 70 8.512 -7.087 27.713 1.00 35.44 C ATOM 2880 CD1 TRP D 70 9.234 -6.609 28.762 1.00 33.44 C ATOM 2881 CD2 TRP D 70 8.594 -8.515 27.783 1.00 34.56 C ATOM 2882 NE1 TRP D 70 9.755 -7.654 29.489 1.00 33.49 N ATOM 2883 CE2 TRP D 70 9.375 -8.835 28.906 1.00 33.80 C ATOM 2884 CE3 TRP D 70 8.078 -9.555 27.004 1.00 35.01 C ATOM 2885 CZ2 TRP D 70 9.653 -10.159 29.272 1.00 33.73 C ATOM 2886 CZ3 TRP D 70 8.356 -10.875 27.369 1.00 33.24 C ATOM 2887 CH2 TRP D 70 9.133 -11.161 28.491 1.00 32.69 C ATOM 2888 N GLN D 71 7.032 -5.737 23.588 1.00 35.80 N ATOM 2889 CA GLN D 71 6.070 -5.104 22.707 1.00 34.93 C ATOM 2890 C GLN D 71 4.765 -5.820 23.096 1.00 34.19 C ATOM 2891 O GLN D 71 4.795 -6.907 23.677 1.00 33.64 O ATOM 2892 CB GLN D 71 6.432 -5.355 21.235 1.00 36.42 C ATOM 2893 CG GLN D 71 7.709 -4.631 20.735 1.00 36.84 C ATOM 2894 CD GLN D 71 7.450 -3.221 20.185 1.00 37.90 C ATOM 2895 OE1 GLN D 71 6.983 -3.052 19.047 1.00 36.43 O ATOM 2896 NE2 GLN D 71 7.754 -2.202 20.995 1.00 37.34 N ATOM 2897 N VAL D 72 3.622 -5.222 22.811 1.00 32.34 N ATOM 2898 CA VAL D 72 2.382 -5.869 23.175 1.00 31.42 C ATOM 2899 C VAL D 72 1.395 -5.875 22.025 1.00 30.58 C ATOM 2900 O VAL D 72 1.236 -4.878 21.304 1.00 29.46 O ATOM 2901 CB VAL D 72 1.738 -5.184 24.402 1.00 33.60 C ATOM 2902 CG1 VAL D 72 0.474 -5.954 24.840 1.00 35.12 C ATOM 2903 CG2 VAL D 72 2.743 -5.151 25.559 1.00 34.92 C ATOM 2904 N ALA D 73 0.739 -7.020 21.863 1.00 29.74 N ATOM 2905 CA ALA D 73 -0.243 -7.203 20.809 1.00 28.83 C ATOM 2906 C ALA D 73 -1.466 -7.852 21.422 1.00 28.18 C ATOM 2907 O ALA D 73 -1.372 -8.540 22.438 1.00 26.82 O ATOM 2908 CB ALA D 73 0.323 -8.062 19.691 1.00 30.06 C ATOM 2909 N VAL D 74 -2.609 -7.618 20.789 1.00 27.70 N ATOM 2910 CA VAL D 74 -3.884 -8.101 21.281 1.00 28.09 C ATOM 2911 C VAL D 74 -4.686 -8.740 20.155 1.00 28.56 C ATOM 2912 O VAL D 74 -4.508 -8.409 18.980 1.00 28.93 O ATOM 2913 CB VAL D 74 -4.669 -6.915 21.900 1.00 26.98 C ATOM 2914 CG1 VAL D 74 -5.956 -7.385 22.540 1.00 29.00 C ATOM 2915 CG2 VAL D 74 -3.801 -6.231 22.931 1.00 26.50 C ATOM 2916 N ALA D 75 -5.557 -9.675 20.525 1.00 28.09 N ATOM 2917 CA ALA D 75 -6.396 -10.382 19.565 1.00 27.83 C ATOM 2918 C ALA D 75 -7.858 -10.228 19.963 1.00 27.24 C ATOM 2919 O ALA D 75 -8.203 -10.406 21.123 1.00 25.30 O ATOM 2920 CB ALA D 75 -6.021 -11.858 19.541 1.00 28.07 C ATOM 2921 N ASP D 76 -8.711 -9.892 19.000 1.00 29.00 N ATOM 2922 CA ASP D 76 -10.135 -9.735 19.277 1.00 31.11 C ATOM 2923 C ASP D 76 -10.725 -11.094 19.675 1.00 31.72 C ATOM 2924 O ASP D 76 -9.989 -12.056 19.812 1.00 33.82 O ATOM 2925 CB ASP D 76 -10.867 -9.175 18.053 1.00 31.64 C ATOM 2926 CG ASP D 76 -11.041 -10.199 16.956 1.00 32.34 C ATOM 2927 OD1 ASP D 76 -10.022 -10.656 16.396 1.00 32.88 O ATOM 2928 OD2 ASP D 76 -12.205 -10.541 16.649 1.00 32.03 O ATOM 2929 N LEU D 77 -12.039 -11.175 19.857 1.00 32.57 N ATOM 2930 CA LEU D 77 -12.676 -12.420 20.268 1.00 33.61 C ATOM 2931 C LEU D 77 -12.444 -13.620 19.359 1.00 35.63 C ATOM 2932 O LEU D 77 -12.126 -14.714 19.837 1.00 36.14 O ATOM 2933 CB LEU D 77 -14.176 -12.213 20.423 1.00 33.38 C ATOM 2934 CG LEU D 77 -14.615 -11.245 21.506 1.00 32.11 C ATOM 2935 CD1 LEU D 77 -16.116 -11.081 21.424 1.00 33.09 C ATOM 2936 CD2 LEU D 77 -14.197 -11.762 22.878 1.00 32.43 C ATOM 2937 N GLU D 78 -12.621 -13.443 18.055 1.00 36.42 N ATOM 2938 CA GLU D 78 -12.422 -14.569 17.150 1.00 36.68 C ATOM 2939 C GLU D 78 -10.958 -15.001 17.133 1.00 35.35 C ATOM 2940 O GLU D 78 -10.636 -16.141 17.470 1.00 34.80 O ATOM 2941 CB GLU D 78 -12.896 -14.230 15.725 1.00 38.52 C ATOM 2942 CG GLU D 78 -14.407 -14.364 15.512 1.00 42.01 C ATOM 2943 CD GLU D 78 -15.126 -13.020 15.407 1.00 44.48 C ATOM 2944 OE1 GLU D 78 -15.201 -12.299 16.425 1.00 44.84 O ATOM 2945 OE2 GLU D 78 -15.611 -12.686 14.302 1.00 45.34 O ATOM 2946 N GLN D 79 -10.068 -14.083 16.770 1.00 34.88 N ATOM 2947 CA GLN D 79 -8.634 -14.398 16.693 1.00 34.35 C ATOM 2948 C GLN D 79 -8.011 -14.891 18.004 1.00 34.75 C ATOM 2949 O GLN D 79 -6.848 -15.302 18.027 1.00 34.52 O ATOM 2950 CB GLN D 79 -7.831 -13.191 16.181 1.00 32.71 C ATOM 2951 CG GLN D 79 -8.306 -12.621 14.855 1.00 29.63 C ATOM 2952 CD GLN D 79 -8.553 -13.687 13.810 1.00 28.41 C ATOM 2953 OE1 GLN D 79 -7.624 -14.319 13.317 1.00 26.89 O ATOM 2954 NE2 GLN D 79 -9.825 -13.897 13.472 1.00 30.57 N ATOM 2955 N SER D 80 -8.769 -14.833 19.094 1.00 34.84 N ATOM 2956 CA SER D 80 -8.264 -15.313 20.374 1.00 36.13 C ATOM 2957 C SER D 80 -8.610 -16.789 20.431 1.00 37.79 C ATOM 2958 O SER D 80 -7.906 -17.577 21.053 1.00 36.74 O ATOM 2959 CB SER D 80 -8.924 -14.576 21.544 1.00 36.25 C ATOM 2960 OG SER D 80 -8.137 -13.483 21.988 1.00 35.33 O ATOM 2961 N GLU D 81 -9.716 -17.147 19.784 1.00 38.92 N ATOM 2962 CA GLU D 81 -10.155 -18.533 19.708 1.00 39.50 C ATOM 2963 C GLU D 81 -9.079 -19.272 18.910 1.00 37.93 C ATOM 2964 O GLU D 81 -8.459 -20.214 19.406 1.00 36.08 O ATOM 2965 CB GLU D 81 -11.486 -18.604 18.970 1.00 43.25 C ATOM 2966 CG GLU D 81 -12.052 -19.994 18.811 1.00 50.93 C ATOM 2967 CD GLU D 81 -13.099 -20.069 17.707 1.00 55.73 C ATOM 2968 OE1 GLU D 81 -13.811 -21.104 17.625 1.00 57.65 O ATOM 2969 OE2 GLU D 81 -13.203 -19.096 16.915 1.00 58.12 O ATOM 2970 N ALA D 82 -8.855 -18.814 17.677 1.00 36.51 N ATOM 2971 CA ALA D 82 -7.856 -19.398 16.789 1.00 35.32 C ATOM 2972 C ALA D 82 -6.488 -19.405 17.467 1.00 34.94 C ATOM 2973 O ALA D 82 -5.889 -20.467 17.655 1.00 35.92 O ATOM 2974 CB ALA D 82 -7.793 -18.612 15.499 1.00 35.47 C ATOM 2975 N ILE D 83 -5.995 -18.219 17.832 1.00 34.40 N ATOM 2976 CA ILE D 83 -4.701 -18.086 18.511 1.00 31.77 C ATOM 2977 C ILE D 83 -4.949 -18.598 19.915 1.00 32.70 C ATOM 2978 O ILE D 83 -5.197 -17.818 20.818 1.00 35.94 O ATOM 2979 CB ILE D 83 -4.263 -16.610 18.630 1.00 28.94 C ATOM 2980 CG1 ILE D 83 -4.051 -16.002 17.251 1.00 28.18 C ATOM 2981 CG2 ILE D 83 -3.020 -16.503 19.465 1.00 25.97 C ATOM 2982 CD1 ILE D 83 -3.991 -14.494 17.288 1.00 25.76 C ATOM 2983 N GLY D 84 -4.906 -19.902 20.101 1.00 31.99 N ATOM 2984 CA GLY D 84 -5.150 -20.451 21.419 1.00 33.88 C ATOM 2985 C GLY D 84 -4.968 -21.935 21.270 1.00 36.39 C ATOM 2986 O GLY D 84 -4.167 -22.554 21.971 1.00 35.78 O ATOM 2987 N ASP D 85 -5.720 -22.520 20.343 1.00 37.32 N ATOM 2988 CA ASP D 85 -5.562 -23.940 20.099 1.00 36.75 C ATOM 2989 C ASP D 85 -4.107 -24.069 19.673 1.00 36.14 C ATOM 2990 O ASP D 85 -3.340 -24.816 20.285 1.00 36.85 O ATOM 2991 CB ASP D 85 -6.454 -24.429 18.958 1.00 39.50 C ATOM 2992 CG ASP D 85 -7.882 -23.957 19.087 1.00 41.44 C ATOM 2993 OD1 ASP D 85 -8.468 -24.094 20.181 1.00 41.99 O ATOM 2994 OD2 ASP D 85 -8.417 -23.454 18.074 1.00 44.15 O ATOM 2995 N ARG D 86 -3.727 -23.323 18.631 1.00 33.87 N ATOM 2996 CA ARG D 86 -2.359 -23.365 18.120 1.00 31.40 C ATOM 2997 C ARG D 86 -1.362 -23.463 19.252 1.00 30.96 C ATOM 2998 O ARG D 86 -0.366 -24.175 19.146 1.00 31.75 O ATOM 2999 CB ARG D 86 -2.056 -22.125 17.273 1.00 30.81 C ATOM 3000 CG ARG D 86 -0.585 -21.977 16.937 1.00 30.39 C ATOM 3001 CD ARG D 86 -0.330 -20.722 16.088 1.00 30.09 C ATOM 3002 NE ARG D 86 1.078 -20.604 15.702 1.00 29.48 N ATOM 3003 CZ ARG D 86 1.558 -19.646 14.922 1.00 29.99 C ATOM 3004 NH1 ARG D 86 0.737 -18.713 14.438 1.00 30.55 N ATOM 3005 NH2 ARG D 86 2.853 -19.627 14.627 1.00 27.97 N ATOM 3006 N PHE D 87 -1.656 -22.765 20.347 1.00 30.34 N ATOM 3007 CA PHE D 87 -0.779 -22.731 21.511 1.00 29.75 C ATOM 3008 C PHE D 87 -1.350 -23.513 22.652 1.00 30.89 C ATOM 3009 O PHE D 87 -0.935 -23.352 23.796 1.00 31.85 O ATOM 3010 CB PHE D 87 -0.565 -21.293 21.932 1.00 27.44 C ATOM 3011 CG PHE D 87 0.200 -20.495 20.933 1.00 27.82 C ATOM 3012 CD1 PHE D 87 1.586 -20.558 20.904 1.00 26.13 C ATOM 3013 CD2 PHE D 87 -0.462 -19.674 20.016 1.00 26.80 C ATOM 3014 CE1 PHE D 87 2.302 -19.817 19.989 1.00 27.75 C ATOM 3015 CE2 PHE D 87 0.249 -18.928 19.094 1.00 25.68 C ATOM 3016 CZ PHE D 87 1.634 -18.995 19.078 1.00 26.72 C ATOM 3017 N ASN D 88 -2.314 -24.365 22.326 1.00 32.95 N ATOM 3018 CA ASN D 88 -2.988 -25.221 23.306 1.00 34.20 C ATOM 3019 C ASN D 88 -3.529 -24.465 24.502 1.00 34.62 C ATOM 3020 O ASN D 88 -3.447 -24.954 25.623 1.00 35.03 O ATOM 3021 CB ASN D 88 -2.038 -26.307 23.805 1.00 34.32 C ATOM 3022 CG ASN D 88 -2.564 -27.696 23.536 1.00 34.06 C ATOM 3023 OD1 ASN D 88 -1.891 -28.513 22.900 1.00 32.20 O ATOM 3024 ND2 ASN D 88 -3.780 -27.973 24.016 1.00 32.14 N ATOM 3025 N VAL D 89 -4.077 -23.276 24.265 1.00 37.28 N ATOM 3026 CA VAL D 89 -4.641 -22.460 25.339 1.00 39.77 C ATOM 3027 C VAL D 89 -6.132 -22.723 25.519 1.00 41.39 C ATOM 3028 O VAL D 89 -6.948 -22.265 24.718 1.00 42.01 O ATOM 3029 CB VAL D 89 -4.478 -20.972 25.050 1.00 40.00 C ATOM 3030 CG1 VAL D 89 -5.244 -20.169 26.086 1.00 41.15 C ATOM 3031 CG2 VAL D 89 -3.013 -20.595 25.071 1.00 41.26 C ATOM 3032 N ARG D 90 -6.491 -23.443 26.573 1.00 41.95 N ATOM 3033 CA ARG D 90 -7.894 -23.744 26.826 1.00 44.05 C ATOM 3034 C ARG D 90 -8.528 -22.762 27.808 1.00 42.18 C ATOM 3035 O ARG D 90 -9.753 -22.670 27.903 1.00 41.04 O ATOM 3036 CB ARG D 90 -8.057 -25.176 27.374 1.00 49.70 C ATOM 3037 CG ARG D 90 -7.890 -26.307 26.334 1.00 56.48 C ATOM 3038 CD ARG D 90 -6.430 -26.513 25.912 1.00 61.87 C ATOM 3039 NE ARG D 90 -5.674 -27.304 26.883 1.00 66.17 N ATOM 3040 CZ ARG D 90 -5.840 -28.610 27.079 1.00 68.63 C ATOM 3041 NH1 ARG D 90 -6.737 -29.280 26.367 1.00 70.44 N ATOM 3042 NH2 ARG D 90 -5.114 -29.247 27.989 1.00 69.48 N ATOM 3043 N ARG D 91 -7.699 -22.030 28.544 1.00 40.03 N ATOM 3044 CA ARG D 91 -8.227 -21.088 29.517 1.00 37.46 C ATOM 3045 C ARG D 91 -7.907 -19.640 29.211 1.00 33.87 C ATOM 3046 O ARG D 91 -6.796 -19.310 28.802 1.00 33.55 O ATOM 3047 CB ARG D 91 -7.718 -21.435 30.908 1.00 39.56 C ATOM 3048 CG ARG D 91 -8.251 -22.748 31.462 1.00 42.70 C ATOM 3049 CD ARG D 91 -7.430 -23.121 32.671 1.00 45.90 C ATOM 3050 NE ARG D 91 -6.015 -23.156 32.306 1.00 47.76 N ATOM 3051 CZ ARG D 91 -5.031 -22.612 33.019 1.00 49.14 C ATOM 3052 NH1 ARG D 91 -5.288 -21.978 34.155 1.00 49.05 N ATOM 3053 NH2 ARG D 91 -3.785 -22.697 32.584 1.00 49.72 N ATOM 3054 N PHE D 92 -8.895 -18.779 29.416 1.00 30.16 N ATOM 3055 CA PHE D 92 -8.725 -17.359 29.167 1.00 27.97 C ATOM 3056 C PHE D 92 -9.070 -16.626 30.421 1.00 25.82 C ATOM 3057 O PHE D 92 -9.846 -17.113 31.216 1.00 24.86 O ATOM 3058 CB PHE D 92 -9.642 -16.905 28.043 1.00 29.13 C ATOM 3059 CG PHE D 92 -9.379 -17.603 26.748 1.00 31.33 C ATOM 3060 CD1 PHE D 92 -8.169 -17.426 26.078 1.00 32.42 C ATOM 3061 CD2 PHE D 92 -10.338 -18.439 26.189 1.00 31.88 C ATOM 3062 CE1 PHE D 92 -7.926 -18.069 24.867 1.00 34.00 C ATOM 3063 CE2 PHE D 92 -10.103 -19.088 24.979 1.00 33.29 C ATOM 3064 CZ PHE D 92 -8.896 -18.903 24.315 1.00 33.35 C ATOM 3065 N PRO D 93 -8.493 -15.438 30.628 1.00 26.47 N ATOM 3066 CA PRO D 93 -7.544 -14.707 29.788 1.00 24.57 C ATOM 3067 C PRO D 93 -6.221 -15.429 29.729 1.00 24.50 C ATOM 3068 O PRO D 93 -5.835 -16.106 30.680 1.00 24.62 O ATOM 3069 CB PRO D 93 -7.408 -13.370 30.507 1.00 25.24 C ATOM 3070 CG PRO D 93 -8.718 -13.213 31.187 1.00 26.31 C ATOM 3071 CD PRO D 93 -8.928 -14.588 31.749 1.00 26.49 C ATOM 3072 N ALA D 94 -5.521 -15.273 28.619 1.00 23.50 N ATOM 3073 CA ALA D 94 -4.240 -15.929 28.473 1.00 23.87 C ATOM 3074 C ALA D 94 -3.242 -14.963 27.877 1.00 24.37 C ATOM 3075 O ALA D 94 -3.617 -13.964 27.280 1.00 24.38 O ATOM 3076 CB ALA D 94 -4.380 -17.157 27.593 1.00 25.80 C ATOM 3077 N THR D 95 -1.964 -15.262 28.037 1.00 24.48 N ATOM 3078 CA THR D 95 -0.928 -14.382 27.534 1.00 24.47 C ATOM 3079 C THR D 95 0.250 -15.206 27.027 1.00 24.55 C ATOM 3080 O THR D 95 0.770 -16.069 27.729 1.00 23.79 O ATOM 3081 CB THR D 95 -0.463 -13.415 28.675 1.00 26.32 C ATOM 3082 OG1 THR D 95 -1.586 -12.650 29.148 1.00 25.50 O ATOM 3083 CG2 THR D 95 0.613 -12.459 28.168 1.00 26.20 C ATOM 3084 N LEU D 96 0.657 -14.949 25.799 1.00 26.24 N ATOM 3085 CA LEU D 96 1.774 -15.665 25.213 1.00 28.79 C ATOM 3086 C LEU D 96 3.039 -14.798 25.361 1.00 32.36 C ATOM 3087 O LEU D 96 3.046 -13.609 25.013 1.00 34.03 O ATOM 3088 CB LEU D 96 1.465 -15.943 23.739 1.00 27.03 C ATOM 3089 CG LEU D 96 0.040 -16.466 23.465 1.00 25.21 C ATOM 3090 CD1 LEU D 96 -0.220 -16.378 21.977 1.00 27.35 C ATOM 3091 CD2 LEU D 96 -0.142 -17.892 23.968 1.00 21.01 C ATOM 3092 N VAL D 97 4.105 -15.386 25.896 1.00 35.05 N ATOM 3093 CA VAL D 97 5.352 -14.652 26.076 1.00 37.51 C ATOM 3094 C VAL D 97 6.400 -14.980 25.014 1.00 39.88 C ATOM 3095 O VAL D 97 6.863 -16.111 24.934 1.00 40.60 O ATOM 3096 CB VAL D 97 5.979 -14.948 27.447 1.00 38.76 C ATOM 3097 CG1 VAL D 97 7.251 -14.107 27.625 1.00 39.07 C ATOM 3098 CG2 VAL D 97 4.975 -14.646 28.555 1.00 39.66 C ATOM 3099 N PHE D 98 6.790 -13.983 24.224 1.00 42.57 N ATOM 3100 CA PHE D 98 7.786 -14.182 23.186 1.00 45.99 C ATOM 3101 C PHE D 98 9.086 -13.416 23.409 1.00 48.24 C ATOM 3102 O PHE D 98 9.096 -12.278 23.892 1.00 50.17 O ATOM 3103 CB PHE D 98 7.249 -13.766 21.822 1.00 47.12 C ATOM 3104 CG PHE D 98 6.141 -14.635 21.300 1.00 48.43 C ATOM 3105 CD1 PHE D 98 4.831 -14.466 21.747 1.00 48.16 C ATOM 3106 CD2 PHE D 98 6.395 -15.580 20.301 1.00 47.45 C ATOM 3107 CE1 PHE D 98 3.796 -15.215 21.202 1.00 47.81 C ATOM 3108 CE2 PHE D 98 5.362 -16.337 19.748 1.00 46.49 C ATOM 3109 CZ PHE D 98 4.061 -16.153 20.197 1.00 46.72 C ATOM 3110 N THR D 99 10.274 -14.291 23.283 1.00 49.48 N ATOM 3111 CA THR D 99 11.414 -13.561 23.494 1.00 51.45 C ATOM 3112 C THR D 99 12.394 -14.097 22.591 1.00 52.98 C ATOM 3113 O THR D 99 13.264 -14.938 22.805 1.00 55.70 O ATOM 3114 CB THR D 99 11.908 -13.596 24.891 1.00 51.53 C ATOM 3115 OG1 THR D 99 10.926 -13.060 25.779 1.00 48.57 O ATOM 3116 CG2 THR D 99 13.186 -12.797 25.018 1.00 49.54 C ATOM 3117 N ASP D 100 12.045 -13.424 21.513 1.00 53.04 N ATOM 3118 CA ASP D 100 12.590 -13.461 20.239 1.00 53.29 C ATOM 3119 C ASP D 100 11.789 -14.470 19.348 1.00 52.75 C ATOM 3120 O ASP D 100 12.198 -14.695 18.199 1.00 51.71 O ATOM 3121 CB ASP D 100 14.077 -13.848 20.443 1.00 53.74 C ATOM 3122 CG ASP D 100 14.883 -13.874 19.181 1.00 54.33 C ATOM 3123 OD1 ASP D 100 14.298 -14.233 18.134 1.00 53.95 O ATOM 3124 OD2 ASP D 100 16.083 -13.528 19.236 1.00 54.84 O ATOM 3125 N GLY D 101 10.705 -15.120 19.812 1.00 51.27 N ATOM 3126 CA GLY D 101 10.033 -16.251 19.113 1.00 50.51 C ATOM 3127 C GLY D 101 10.320 -17.609 19.886 1.00 50.90 C ATOM 3128 O GLY D 101 11.154 -18.400 19.460 1.00 51.92 O ATOM 3129 N ALA D 106 3.872 -19.405 27.956 1.00 25.65 N ATOM 3130 CA ALA D 106 2.464 -19.052 27.829 1.00 26.25 C ATOM 3131 C ALA D 106 1.713 -19.048 29.159 1.00 26.40 C ATOM 3132 O ALA D 106 1.665 -20.068 29.850 1.00 27.17 O ATOM 3133 CB ALA D 106 1.776 -20.011 26.855 1.00 27.87 C ATOM 3134 N LEU D 107 1.123 -17.897 29.500 1.00 26.58 N ATOM 3135 CA LEU D 107 0.347 -17.707 30.740 1.00 27.03 C ATOM 3136 C LEU D 107 -1.131 -17.913 30.414 1.00 28.31 C ATOM 3137 O LEU D 107 -1.644 -17.283 29.488 1.00 28.18 O ATOM 3138 CB LEU D 107 0.534 -16.275 31.264 1.00 24.75 C ATOM 3139 CG LEU D 107 1.976 -15.886 31.582 1.00 24.71 C ATOM 3140 CD1 LEU D 107 2.112 -14.390 31.817 1.00 24.58 C ATOM 3141 CD2 LEU D 107 2.421 -16.660 32.806 1.00 25.43 C ATOM 3142 N SER D 108 -1.823 -18.766 31.162 1.00 27.43 N ATOM 3143 CA SER D 108 -3.233 -18.991 30.872 1.00 28.38 C ATOM 3144 C SER D 108 -4.066 -19.144 32.120 1.00 28.84 C ATOM 3145 O SER D 108 -3.615 -19.710 33.110 1.00 28.66 O ATOM 3146 CB SER D 108 -3.420 -20.237 29.999 1.00 30.58 C ATOM 3147 OG SER D 108 -2.786 -20.092 28.734 1.00 33.37 O ATOM 3148 N GLY D 109 -5.298 -18.643 32.064 1.00 29.60 N ATOM 3149 CA GLY D 109 -6.191 -18.738 33.207 1.00 31.48 C ATOM 3150 C GLY D 109 -6.105 -17.540 34.135 1.00 33.74 C ATOM 3151 O GLY D 109 -5.383 -16.575 33.870 1.00 34.64 O ATOM 3152 N ILE D 110 -6.847 -17.610 35.234 1.00 34.65 N ATOM 3153 CA ILE D 110 -6.878 -16.536 36.212 1.00 34.81 C ATOM 3154 C ILE D 110 -5.969 -16.865 37.396 1.00 34.03 C ATOM 3155 O ILE D 110 -6.080 -17.926 38.027 1.00 33.27 O ATOM 3156 CB ILE D 110 -8.357 -16.255 36.683 1.00 35.63 C ATOM 3157 CG1 ILE D 110 -8.368 -15.212 37.800 1.00 37.60 C ATOM 3158 CG2 ILE D 110 -9.029 -17.536 37.162 1.00 34.86 C ATOM 3159 CD1 ILE D 110 -9.744 -14.941 38.359 1.00 40.11 C ATOM 3160 N HIS D 111 -5.058 -15.938 37.680 1.00 34.39 N ATOM 3161 CA HIS D 111 -4.095 -16.104 38.765 1.00 33.19 C ATOM 3162 C HIS D 111 -3.901 -14.852 39.614 1.00 32.85 C ATOM 3163 O HIS D 111 -3.807 -13.753 39.080 1.00 32.97 O ATOM 3164 CB HIS D 111 -2.732 -16.472 38.190 1.00 32.26 C ATOM 3165 CG HIS D 111 -2.744 -17.684 37.320 1.00 30.11 C ATOM 3166 ND1 HIS D 111 -2.391 -17.642 35.991 1.00 27.79 N ATOM 3167 CD2 HIS D 111 -3.035 -18.977 37.595 1.00 29.34 C ATOM 3168 CE1 HIS D 111 -2.462 -18.858 35.483 1.00 26.70 C ATOM 3169 NE2 HIS D 111 -2.851 -19.686 36.433 1.00 27.26 N ATOM 3170 N PRO D 112 -3.823 -15.007 40.945 1.00 32.96 N ATOM 3171 CA PRO D 112 -3.621 -13.863 41.840 1.00 34.12 C ATOM 3172 C PRO D 112 -2.268 -13.242 41.494 1.00 33.97 C ATOM 3173 O PRO D 112 -1.376 -13.944 41.023 1.00 35.18 O ATOM 3174 CB PRO D 112 -3.610 -14.507 43.220 1.00 34.28 C ATOM 3175 CG PRO D 112 -4.521 -15.675 43.035 1.00 35.33 C ATOM 3176 CD PRO D 112 -4.047 -16.230 41.721 1.00 33.05 C ATOM 3177 N TRP D 113 -2.103 -11.943 41.724 1.00 32.72 N ATOM 3178 CA TRP D 113 -0.843 -11.310 41.381 1.00 31.67 C ATOM 3179 C TRP D 113 0.356 -12.182 41.680 1.00 32.55 C ATOM 3180 O TRP D 113 1.212 -12.391 40.817 1.00 33.57 O ATOM 3181 CB TRP D 113 -0.655 -9.992 42.111 1.00 29.96 C ATOM 3182 CG TRP D 113 0.780 -9.594 42.089 1.00 26.62 C ATOM 3183 CD1 TRP D 113 1.689 -9.753 43.090 1.00 27.20 C ATOM 3184 CD2 TRP D 113 1.502 -9.064 40.974 1.00 24.83 C ATOM 3185 NE1 TRP D 113 2.940 -9.355 42.669 1.00 25.98 N ATOM 3186 CE2 TRP D 113 2.852 -8.926 41.373 1.00 24.09 C ATOM 3187 CE3 TRP D 113 1.140 -8.694 39.678 1.00 25.25 C ATOM 3188 CZ2 TRP D 113 3.844 -8.432 40.524 1.00 23.49 C ATOM 3189 CZ3 TRP D 113 2.127 -8.202 38.824 1.00 26.64 C ATOM 3190 CH2 TRP D 113 3.470 -8.074 39.258 1.00 25.71 C ATOM 3191 N ALA D 114 0.437 -12.682 42.907 1.00 31.84 N ATOM 3192 CA ALA D 114 1.572 -13.517 43.293 1.00 31.51 C ATOM 3193 C ALA D 114 1.853 -14.624 42.289 1.00 30.81 C ATOM 3194 O ALA D 114 2.953 -14.729 41.760 1.00 31.64 O ATOM 3195 CB ALA D 114 1.330 -14.119 44.668 1.00 31.93 C ATOM 3196 N GLU D 115 0.848 -15.447 42.027 1.00 31.16 N ATOM 3197 CA GLU D 115 0.995 -16.568 41.098 1.00 31.52 C ATOM 3198 C GLU D 115 1.488 -16.148 39.711 1.00 31.63 C ATOM 3199 O GLU D 115 2.433 -16.727 39.158 1.00 32.27 O ATOM 3200 CB GLU D 115 -0.344 -17.279 40.982 1.00 31.08 C ATOM 3201 CG GLU D 115 -0.306 -18.673 40.408 1.00 27.31 C ATOM 3202 CD GLU D 115 -1.447 -19.484 40.956 1.00 27.77 C ATOM 3203 OE1 GLU D 115 -1.328 -19.926 42.128 1.00 27.90 O ATOM 3204 OE2 GLU D 115 -2.461 -19.636 40.239 1.00 23.38 O ATOM 3205 N LEU D 116 0.831 -15.148 39.145 1.00 30.14 N ATOM 3206 CA LEU D 116 1.201 -14.657 37.835 1.00 29.34 C ATOM 3207 C LEU D 116 2.700 -14.374 37.779 1.00 29.28 C ATOM 3208 O LEU D 116 3.384 -14.821 36.868 1.00 30.00 O ATOM 3209 CB LEU D 116 0.424 -13.374 37.521 1.00 28.47 C ATOM 3210 CG LEU D 116 0.453 -12.869 36.079 1.00 27.03 C ATOM 3211 CD1 LEU D 116 -0.222 -13.888 35.158 1.00 26.34 C ATOM 3212 CD2 LEU D 116 -0.255 -11.541 36.011 1.00 27.94 C ATOM 3213 N LEU D 117 3.213 -13.644 38.764 1.00 28.60 N ATOM 3214 CA LEU D 117 4.633 -13.289 38.780 1.00 28.86 C ATOM 3215 C LEU D 117 5.573 -14.491 38.696 1.00 29.71 C ATOM 3216 O LEU D 117 6.530 -14.493 37.923 1.00 29.33 O ATOM 3217 CB LEU D 117 4.949 -12.467 40.032 1.00 28.90 C ATOM 3218 CG LEU D 117 6.371 -11.918 40.168 1.00 29.87 C ATOM 3219 CD1 LEU D 117 6.806 -11.229 38.878 1.00 30.38 C ATOM 3220 CD2 LEU D 117 6.415 -10.937 41.330 1.00 29.87 C ATOM 3221 N THR D 118 5.294 -15.506 39.503 1.00 30.56 N ATOM 3222 CA THR D 118 6.093 -16.720 39.523 1.00 31.90 C ATOM 3223 C THR D 118 6.047 -17.418 38.166 1.00 34.22 C ATOM 3224 O THR D 118 7.038 -17.978 37.684 1.00 33.15 O ATOM 3225 CB THR D 118 5.562 -17.686 40.563 1.00 31.52 C ATOM 3226 OG1 THR D 118 5.558 -17.038 41.831 1.00 34.08 O ATOM 3227 CG2 THR D 118 6.421 -18.927 40.632 1.00 32.27 C ATOM 3228 N LEU D 119 4.878 -17.396 37.549 1.00 35.60 N ATOM 3229 CA LEU D 119 4.733 -18.022 36.258 1.00 36.12 C ATOM 3230 C LEU D 119 5.573 -17.308 35.218 1.00 37.76 C ATOM 3231 O LEU D 119 6.225 -17.957 34.405 1.00 38.58 O ATOM 3232 CB LEU D 119 3.273 -18.013 35.824 1.00 36.16 C ATOM 3233 CG LEU D 119 2.343 -18.911 36.634 1.00 36.82 C ATOM 3234 CD1 LEU D 119 0.916 -18.618 36.227 1.00 37.11 C ATOM 3235 CD2 LEU D 119 2.675 -20.374 36.388 1.00 35.24 C HETATM 3236 N MSE D 120 5.566 -15.975 35.248 1.00 39.69 N HETATM 3237 CA MSE D 120 6.319 -15.172 34.278 1.00 41.24 C HETATM 3238 C MSE D 120 7.803 -15.197 34.618 1.00 41.14 C HETATM 3239 O MSE D 120 8.667 -15.026 33.755 1.00 39.51 O HETATM 3240 CB MSE D 120 5.805 -13.728 34.277 1.00 43.67 C HETATM 3241 CG MSE D 120 6.395 -12.824 33.189 1.00 48.02 C HETATM 3242 SE MSE D 120 5.824 -13.232 31.373 1.00 56.98 HETATM 3243 CE MSE D 120 7.370 -14.301 30.844 1.00 54.87 C ATOM 3244 N ARG D 121 8.092 -15.409 35.889 1.00 41.94 N ATOM 3245 CA ARG D 121 9.470 -15.470 36.321 1.00 42.88 C ATOM 3246 C ARG D 121 10.049 -16.806 35.840 1.00 43.80 C ATOM 3247 O ARG D 121 11.238 -16.897 35.535 1.00 45.03 O ATOM 3248 CB ARG D 121 9.534 -15.350 37.839 1.00 43.58 C ATOM 3249 CG ARG D 121 10.916 -15.053 38.375 1.00 46.85 C ATOM 3250 CD ARG D 121 10.884 -14.775 39.895 1.00 49.07 C ATOM 3251 NE ARG D 121 10.261 -13.494 40.249 1.00 49.34 N ATOM 3252 CZ ARG D 121 10.754 -12.295 39.939 1.00 50.02 C ATOM 3253 NH1 ARG D 121 11.890 -12.190 39.255 1.00 50.15 N ATOM 3254 NH2 ARG D 121 10.119 -11.197 40.335 1.00 49.21 N ATOM 3255 N SER D 122 9.209 -17.839 35.753 1.00 43.01 N ATOM 3256 CA SER D 122 9.663 -19.148 35.279 1.00 42.53 C ATOM 3257 C SER D 122 9.884 -19.147 33.771 1.00 41.98 C ATOM 3258 O SER D 122 10.817 -19.765 33.271 1.00 40.43 O ATOM 3259 CB SER D 122 8.649 -20.239 35.613 1.00 43.27 C ATOM 3260 OG SER D 122 9.049 -21.486 35.045 1.00 44.73 O ATOM 3261 N ILE D 123 9.008 -18.461 33.051 1.00 42.01 N ATOM 3262 CA ILE D 123 9.125 -18.384 31.609 1.00 41.18 C ATOM 3263 C ILE D 123 10.403 -17.652 31.199 1.00 41.87 C ATOM 3264 O ILE D 123 11.104 -18.062 30.273 1.00 40.54 O ATOM 3265 CB ILE D 123 7.947 -17.639 31.006 1.00 41.58 C ATOM 3266 CG1 ILE D 123 6.638 -18.363 31.333 1.00 44.38 C ATOM 3267 CG2 ILE D 123 8.126 -17.547 29.507 1.00 44.85 C ATOM 3268 CD1 ILE D 123 5.405 -17.713 30.669 1.00 41.89 C ATOM 3269 N VAL D 124 10.702 -16.562 31.895 1.00 44.22 N ATOM 3270 CA VAL D 124 11.886 -15.769 31.591 1.00 45.26 C ATOM 3271 C VAL D 124 13.190 -16.512 31.919 1.00 47.63 C ATOM 3272 O VAL D 124 14.095 -16.598 31.075 1.00 48.02 O ATOM 3273 CB VAL D 124 11.833 -14.401 32.335 1.00 44.66 C ATOM 3274 CG1 VAL D 124 13.125 -13.643 32.139 1.00 43.50 C ATOM 3275 CG2 VAL D 124 10.675 -13.570 31.800 1.00 42.39 C ATOM 3276 N ASP D 125 13.284 -17.068 33.124 1.00 49.05 N ATOM 3277 CA ASP D 125 14.496 -17.786 33.515 1.00 50.81 C ATOM 3278 C ASP D 125 14.507 -19.235 33.035 1.00 52.61 C ATOM 3279 O ASP D 125 13.492 -19.690 32.470 1.00 54.12 O ATOM 3280 CB ASP D 125 14.669 -17.754 35.034 1.00 50.57 C ATOM 3281 CG ASP D 125 14.498 -16.359 35.613 1.00 51.41 C ATOM 3282 OD1 ASP D 125 14.880 -15.384 34.928 1.00 51.73 O ATOM 3283 OD2 ASP D 125 13.992 -16.242 36.755 1.00 50.28 O TER 3285 ASP D 125 HETATM 3285 O HOH A3010 -7.325 6.700 -10.403 1.00 13.42 O HETATM 3286 O HOH A3011 -11.933 12.140 1.998 1.00 16.36 O HETATM 3287 O HOH A3012 -5.906 8.953 -13.013 1.00 60.14 O HETATM 3288 O HOH A3013 -10.245 15.071 5.581 1.00 1.52 O HETATM 3289 O HOH A3014 -7.943 14.102 7.886 1.00 47.22 O HETATM 3290 O HOH A3015 -16.469 3.181 -10.212 1.00 37.37 O HETATM 3291 O HOH A3016 4.314 3.943 10.369 1.00 36.22 O HETATM 3292 O HOH A3017 7.469 7.398 14.121 1.00 35.34 O HETATM 3293 O HOH A3018 6.461 -11.565 -2.576 1.00 21.64 O HETATM 3294 O HOH A3019 1.696 -5.560 5.873 1.00 30.46 O HETATM 3295 O HOH A3020 9.588 9.640 -6.703 1.00 29.21 O HETATM 3296 O HOH A3021 -3.953 19.605 2.330 1.00 29.30 O HETATM 3297 O HOH A3022 -20.007 -3.176 -1.286 1.00 60.64 O HETATM 3298 O HOH A3023 8.291 2.309 13.717 1.00 22.96 O HETATM 3299 O HOH A3024 -14.249 -5.491 2.298 1.00 56.18 O HETATM 3300 O HOH A3025 12.654 6.005 -9.050 1.00 32.76 O HETATM 3301 O HOH A3026 -12.235 15.131 0.288 1.00 41.31 O HETATM 3302 O HOH A3027 -10.525 13.211 -1.261 1.00 45.10 O HETATM 3303 O HOH A3028 -2.261 6.917 6.812 1.00 18.06 O HETATM 3304 O HOH A3029 8.157 8.138 -11.327 1.00 24.40 O HETATM 3305 O HOH A3030 13.832 8.301 6.003 1.00 74.43 O HETATM 3306 O HOH A3031 4.562 -6.373 9.981 1.00 13.63 O HETATM 3307 O HOH A3032 9.304 1.432 -4.691 1.00 28.68 O HETATM 3308 O HOH A3033 -4.917 14.939 5.484 1.00 50.94 O HETATM 3309 O HOH A3034 1.471 3.307 0.314 1.00 56.79 O HETATM 3310 O HOH A3035 9.950 5.297 12.958 1.00 62.77 O HETATM 3311 O HOH A3036 -3.623 5.724 20.315 1.00 11.88 O HETATM 3312 O HOH A3037 -11.067 -6.778 -5.902 1.00 51.84 O HETATM 3313 O HOH A3038 5.779 13.328 6.194 1.00 21.92 O HETATM 3314 O HOH A3039 -12.336 12.053 -5.839 1.00 66.86 O HETATM 3315 O HOH A3040 -9.415 4.107 -12.536 1.00 31.41 O HETATM 3316 O HOH A3041 -19.394 14.296 5.054 1.00 25.61 O HETATM 3317 O HOH A3042 -2.909 -7.883 -5.390 1.00 12.69 O HETATM 3318 O HOH A3043 14.117 -1.332 4.539 1.00 29.02 O HETATM 3319 O HOH A3044 -16.003 -0.383 -9.388 1.00 43.65 O HETATM 3320 O HOH A3045 -13.505 0.333 -10.884 1.00 18.02 O HETATM 3321 O HOH A3046 -1.444 6.941 11.033 1.00 25.28 O HETATM 3322 O HOH A3047 -17.507 -6.065 3.570 1.00 42.54 O HETATM 3323 O HOH A3048 -23.460 11.559 9.913 1.00 49.56 O HETATM 3324 O HOH A3049 -10.477 6.077 -12.102 1.00 35.15 O HETATM 3325 O HOH A3050 -5.381 7.322 -9.411 1.00 53.89 O HETATM 3326 O HOH A3051 -5.452 13.158 8.358 1.00 5.77 O HETATM 3327 O HOH A3052 -13.875 13.087 2.514 1.00 38.34 O HETATM 3328 O HOH A3053 5.837 4.824 8.321 1.00 53.20 O HETATM 3329 O HOH A3054 -10.097 14.871 -3.081 1.00 66.61 O HETATM 3330 O HOH A3055 -0.348 15.856 4.342 1.00 77.23 O HETATM 3331 O HOH A3056 1.885 5.294 12.018 1.00 61.53 O HETATM 3332 O HOH A3057 -0.247 -5.752 -8.998 1.00 77.00 O HETATM 3333 O HOH A3058 -21.282 15.665 4.484 1.00 40.01 O HETATM 3334 O HOH A3059 -10.510 14.344 8.441 1.00 22.54 O HETATM 3335 O HOH A3060 -16.426 12.377 13.497 1.00 24.85 O HETATM 3336 O HOH A3061 11.645 1.388 -4.290 1.00 19.28 O HETATM 3337 O HOH A3062 11.888 2.856 -9.946 1.00 26.33 O HETATM 3338 O HOH A3063 9.454 -11.928 -1.841 1.00 34.00 O HETATM 3339 O HOH A3064 11.576 -7.897 -0.552 1.00 37.42 O HETATM 3340 O HOH A3065 -21.646 5.504 7.325 1.00 5.22 O HETATM 3341 O HOH A3066 -7.109 6.450 -14.973 1.00 54.33 O HETATM 3342 O HOH A3067 14.298 -1.870 2.099 1.00 43.09 O HETATM 3343 O HOH A3068 13.643 -4.169 1.566 1.00 48.08 O HETATM 3344 O HOH A3069 2.536 -8.399 6.297 1.00 31.63 O HETATM 3345 O HOH A3070 10.241 8.829 -0.012 1.00 18.18 O HETATM 3346 O HOH A3071 -6.256 -8.648 7.399 1.00 9.82 O HETATM 3347 O HOH A3072 -7.725 16.092 -0.006 1.00 32.69 O HETATM 3348 O HOH A3073 -4.588 17.036 6.783 1.00 32.21 O HETATM 3349 O HOH A3074 -11.359 4.399 -14.705 1.00 68.62 O HETATM 3350 O HOH A3075 9.905 -2.557 4.332 1.00 62.73 O HETATM 3351 O HOH A3076 -16.352 14.082 5.587 1.00 26.08 O HETATM 3352 O HOH A3077 -18.125 13.791 12.237 1.00 44.93 O HETATM 3353 O HOH A3078 -12.952 15.378 6.462 1.00 54.31 O HETATM 3354 O HOH A3079 -11.159 8.926 -10.791 1.00 67.72 O HETATM 3355 O HOH A3080 6.683 16.183 6.168 1.00 61.64 O HETATM 3356 O HOH A3081 -2.543 11.647 -10.344 1.00 21.90 O HETATM 3357 O HOH A3082 -1.487 3.326 17.022 1.00 84.47 O HETATM 3358 O HOH A3083 -4.317 11.661 19.870 1.00 34.51 O HETATM 3359 O HOH A3084 -12.015 3.415 -12.029 1.00 58.10 O HETATM 3360 O HOH A3085 5.720 5.678 5.007 1.00 59.54 O HETATM 3361 O HOH A3086 13.374 -4.324 5.703 1.00 56.16 O HETATM 3362 O HOH A3087 4.709 2.463 15.578 1.00 45.09 O HETATM 3363 O HOH A3088 -13.478 -7.196 -3.445 1.00 18.27 O HETATM 3364 O HOH A3089 -13.041 -6.241 -0.549 1.00 83.64 O HETATM 3365 O HOH A3090 -10.924 1.196 -15.361 1.00 56.95 O HETATM 3366 O HOH A3091 13.775 -1.205 -0.818 1.00 48.85 O HETATM 3367 O HOH A3092 7.235 8.905 -0.749 1.00 49.22 O HETATM 3368 O HOH A3093 -16.150 17.400 5.834 1.00 35.98 O HETATM 3369 O HOH A3094 -8.831 0.483 -5.149 1.00 33.52 O HETATM 3370 O HOH A3095 -17.723 9.836 0.608 1.00 23.58 O HETATM 3371 O HOH A3096 -3.381 3.013 -14.621 1.00 43.65 O HETATM 3372 O HOH A3097 -15.384 7.122 -14.118 1.00 28.18 O HETATM 3373 O HOH A3098 -8.871 1.978 -8.743 1.00 24.23 O HETATM 3374 O HOH A3099 -15.423 10.882 1.874 1.00 36.62 O HETATM 3375 O HOH A3100 -10.444 7.220 -7.319 1.00 54.51 O HETATM 3376 O HOH A3101 0.236 1.131 3.224 1.00145.42 O HETATM 3377 O HOH A3102 -16.556 10.047 17.634 1.00 45.59 O HETATM 3378 O HOH A3103 -11.640 19.091 6.498 1.00 18.60 O HETATM 3379 O HOH A3104 -22.842 11.118 4.022 1.00 20.89 O HETATM 3380 O HOH A3105 -21.399 1.092 3.067 1.00 43.74 O HETATM 3381 O HOH A3106 12.754 -6.881 -6.527 1.00 51.04 O HETATM 3382 O HOH A3107 4.763 14.325 -1.427 1.00 29.41 O HETATM 3383 O HOH A3108 -4.482 8.663 -7.256 1.00 38.17 O HETATM 3384 O HOH A3109 -22.243 -5.577 -4.143 1.00 52.12 O HETATM 3385 O HOH A3110 2.110 19.586 -1.353 1.00 46.74 O HETATM 3386 O HOH A3111 -11.124 13.942 -8.207 1.00 44.69 O HETATM 3387 O HOH A3112 -13.530 7.070 17.750 1.00 37.28 O HETATM 3388 O HOH A3113 -22.062 -3.519 7.958 1.00 35.81 O HETATM 3389 O HOH A3114 9.638 13.823 -1.982 1.00 30.97 O HETATM 3390 O HOH A3115 4.988 14.076 -9.498 1.00 34.79 O HETATM 3391 O HOH A3116 -4.108 9.476 -10.439 1.00194.45 O HETATM 3392 O HOH A3117 -2.697 9.317 8.198 1.00194.45 O HETATM 3393 O HOH A3118 16.775 -7.272 0.470 1.00 46.32 O HETATM 3394 O HOH A3119 -23.937 11.650 6.813 1.00 51.59 O HETATM 3395 O HOH A3120 10.214 -2.759 -4.834 1.00 34.50 O HETATM 3396 O HOH A3121 2.494 2.420 4.437 1.00 43.41 O HETATM 3397 O HOH A3122 -11.315 14.113 -11.231 1.00 39.66 O HETATM 3398 O HOH A3123 -20.167 3.814 15.520 1.00 46.84 O HETATM 3399 O HOH A3124 -18.553 -0.940 15.614 1.00 41.88 O HETATM 3400 O HOH A3125 15.081 -9.295 -2.080 1.00 52.79 O HETATM 3401 O HOH A3126 10.437 16.520 8.982 1.00 42.20 O HETATM 3402 O HOH A3127 -16.563 15.624 2.241 1.00 44.58 O HETATM 3403 O HOH A3128 -1.967 5.773 -4.705 1.00148.91 O HETATM 3404 O HOH A3129 -15.631 19.143 -0.570 1.00 52.86 O HETATM 3405 O HOH A3130 -13.617 -7.605 6.461 1.00 24.63 O HETATM 3406 O HOH A3131 -11.155 10.980 -8.365 1.00 49.67 O HETATM 3407 O HOH A3132 -8.501 -6.371 -1.318 1.00 56.37 O HETATM 3408 O HOH A3133 11.705 13.793 -6.097 1.00 25.91 O HETATM 3409 O HOH A3134 -19.134 -4.109 -8.538 1.00 39.97 O HETATM 3410 O HOH A3135 8.643 0.009 -8.300 1.00 32.88 O HETATM 3411 O HOH A3136 -12.028 -5.404 6.431 1.00 26.59 O HETATM 3412 O HOH A3137 -18.210 15.108 8.673 1.00 54.89 O HETATM 3413 O HOH A3138 -10.575 -9.600 -1.365 1.00 38.77 O HETATM 3414 O HOH A3139 -21.429 18.851 6.177 1.00 28.27 O HETATM 3415 O HOH A3140 -19.970 11.944 -7.328 1.00 36.83 O HETATM 3416 O HOH A3141 -8.689 4.282 -15.707 1.00 31.64 O HETATM 3417 O HOH A3142 -8.461 -6.418 -6.333 1.00 38.56 O HETATM 3418 O HOH A3143 0.714 -10.643 3.306 1.00 44.31 O HETATM 3419 O HOH A3144 12.155 3.737 10.147 1.00 55.52 O HETATM 3420 O HOH A3145 6.471 9.233 8.655 1.00 14.45 O HETATM 3421 O HOH A3146 -5.772 16.226 2.397 1.00 46.53 O HETATM 3422 O HOH A3147 -25.674 15.176 6.668 1.00 37.55 O HETATM 3423 O HOH A3148 -26.194 11.951 9.016 1.00 49.18 O TER 3425 HOH A3148 HETATM 3425 O HOH B3001 10.591 -9.969 60.970 1.00 19.03 O HETATM 3426 O HOH B3002 -9.995 -11.403 80.789 1.00 73.57 O HETATM 3427 O HOH B3003 7.216 -19.948 73.887 1.00 11.69 O HETATM 3428 O HOH B3004 2.236 -13.694 61.754 1.00 9.20 O HETATM 3429 O HOH B3005 -6.652 -9.887 71.679 1.00 1.64 O HETATM 3430 O HOH B3006 -1.284 -10.547 58.367 1.00 40.33 O HETATM 3431 O HOH B3007 4.771 -22.481 76.509 1.00 22.02 O HETATM 3432 O HOH B3008 5.664 -20.758 69.619 1.00 15.60 O HETATM 3433 O HOH B3009 12.564 -21.307 76.599 1.00 24.44 O HETATM 3434 O HOH B3010 1.732 -11.020 59.484 1.00 43.00 O HETATM 3435 O HOH B3011 -11.064 4.829 69.376 1.00 4.90 O HETATM 3436 O HOH B3012 9.497 -2.531 73.932 1.00 59.58 O HETATM 3437 O HOH B3013 -12.448 -15.996 79.770 1.00 10.83 O HETATM 3438 O HOH B3014 -5.006 -14.553 57.353 1.00 67.86 O HETATM 3439 O HOH B3015 -14.038 -9.157 66.409 1.00 39.13 O HETATM 3440 O HOH B3016 -10.944 -20.272 77.661 1.00 8.41 O HETATM 3441 O HOH B3017 1.977 -15.599 59.097 1.00 83.48 O HETATM 3442 O HOH B3018 -6.105 -1.626 77.329 1.00 34.39 O HETATM 3443 O HOH B3019 3.774 -16.920 60.279 1.00 49.73 O HETATM 3444 O HOH B3020 -14.360 -11.923 84.272 1.00 37.26 O HETATM 3445 O HOH B3021 -18.299 -15.186 77.511 1.00 25.51 O HETATM 3446 O HOH B3022 -4.695 -22.923 75.911 1.00 39.83 O HETATM 3447 O HOH B3023 -18.527 -9.383 71.530 1.00 18.92 O HETATM 3448 O HOH B3024 3.608 -11.304 85.169 1.00 71.25 O HETATM 3449 O HOH B3025 -19.228 -4.715 74.453 1.00 40.72 O HETATM 3450 O HOH B3026 -12.816 -20.298 84.164 1.00 33.06 O HETATM 3451 O HOH B3027 -12.992 -14.498 85.752 1.00 50.18 O HETATM 3452 O HOH B3028 -4.469 -15.175 82.544 1.00 23.39 O HETATM 3453 O HOH B3029 13.298 -17.106 71.477 1.00 29.34 O HETATM 3454 O HOH B3030 7.683 -22.349 72.088 1.00 12.24 O HETATM 3455 O HOH B3031 -6.417 -26.928 69.949 1.00 46.30 O HETATM 3456 O HOH B3032 5.324 -13.510 59.720 1.00 21.10 O HETATM 3457 O HOH B3033 -0.068 -7.855 88.503 1.00 75.42 O HETATM 3458 O HOH B3034 -0.166 -14.556 62.435 1.00 2.64 O HETATM 3459 O HOH B3035 10.068 -7.722 61.818 1.00 18.85 O HETATM 3460 O HOH B3036 -18.594 -6.546 76.038 1.00 37.22 O HETATM 3461 O HOH B3037 11.522 -15.062 75.420 1.00 63.00 O HETATM 3462 O HOH B3038 -10.240 -13.583 87.450 1.00 26.38 O HETATM 3463 O HOH B3039 0.082 -22.125 77.059 1.00 51.14 O HETATM 3464 O HOH B3040 -9.389 -21.487 69.609 1.00 11.24 O HETATM 3465 O HOH B3041 -19.532 -4.828 70.962 1.00 57.15 O HETATM 3466 O HOH B3042 -10.973 -15.924 69.852 1.00 17.67 O HETATM 3467 O HOH B3043 13.695 -1.070 74.878 1.00 60.27 O HETATM 3468 O HOH B3044 -8.462 5.081 69.347 1.00 39.87 O HETATM 3469 O HOH B3045 16.572 -12.927 79.053 1.00 6.71 O HETATM 3470 O HOH B3046 -16.230 0.711 70.715 1.00 34.93 O HETATM 3471 O HOH B3047 16.946 -18.259 77.010 1.00 20.41 O HETATM 3472 O HOH B3048 -14.337 4.779 69.022 1.00 26.29 O HETATM 3473 O HOH B3049 11.267 -2.361 76.467 1.00 86.79 O HETATM 3474 O HOH B3050 -7.472 -9.654 75.740 1.00 33.15 O HETATM 3475 O HOH B3051 4.211 -23.170 67.053 1.00 93.10 O HETATM 3476 O HOH B3052 0.673 -28.860 68.897 1.00 6.54 O HETATM 3477 O HOH B3053 0.525 -6.197 62.149 1.00 80.60 O HETATM 3478 O HOH B3054 10.752 -3.382 66.526 1.00 41.40 O HETATM 3479 O HOH B3055 -1.343 -13.252 92.178 1.00 28.58 O HETATM 3480 O HOH B3056 3.956 -20.980 79.509 1.00 39.28 O HETATM 3481 O HOH B3057 -4.957 -11.783 89.997 1.00 35.87 O HETATM 3482 O HOH B3058 5.175 -11.318 59.195 1.00 14.16 O HETATM 3483 O HOH B3059 2.200 -3.538 61.497 1.00 66.52 O HETATM 3484 O HOH B3060 -1.270 -26.522 73.752 1.00 82.11 O HETATM 3485 O HOH B3061 -11.072 -12.472 77.350 1.00 57.16 O HETATM 3486 O HOH B3062 7.023 -15.702 61.021 1.00 74.37 O HETATM 3487 O HOH B3063 14.494 -6.113 70.990 1.00 75.50 O HETATM 3488 O HOH B3064 12.493 -6.645 62.533 1.00 61.93 O HETATM 3489 O HOH B3065 -5.192 -6.998 56.803 1.00 80.94 O HETATM 3490 O HOH B3066 1.153 -28.241 72.103 1.00 25.54 O HETATM 3491 O HOH B3067 -11.713 -17.429 84.350 1.00 35.21 O HETATM 3492 O HOH B3068 -0.204 -1.860 82.265 1.00 27.44 O HETATM 3493 O HOH B3069 18.278 -17.770 74.845 1.00 44.60 O HETATM 3494 O HOH B3070 7.650 -22.335 79.083 1.00 45.22 O HETATM 3495 O HOH B3071 15.918 -23.109 76.254 1.00 45.23 O HETATM 3496 O HOH B3072 4.598 -2.604 66.355 1.00 27.79 O HETATM 3497 O HOH B3073 -17.890 -6.186 69.263 1.00 34.07 O HETATM 3498 O HOH B3074 13.745 -8.864 83.129 1.00 74.17 O HETATM 3499 O HOH B3075 -17.271 -8.617 66.913 1.00 40.51 O HETATM 3500 O HOH B3076 -19.443 1.694 70.109 1.00 32.93 O HETATM 3501 O HOH B3077 12.914 -20.724 84.139 1.00 52.47 O HETATM 3502 O HOH B3078 -16.776 -9.784 61.367 1.00 31.40 O HETATM 3503 O HOH B3079 10.543 -17.606 72.531 1.00 18.52 O HETATM 3504 O HOH B3080 4.194 -11.772 56.696 1.00 45.02 O HETATM 3505 O HOH B3081 15.300 -3.764 69.520 1.00 25.89 O HETATM 3506 O HOH B3082 1.527 -25.700 68.883 1.00 76.88 O HETATM 3507 O HOH B3083 -2.278 1.130 66.268 1.00 13.36 O HETATM 3508 O HOH B3084 -14.398 -7.666 62.099 1.00 45.67 O HETATM 3509 O HOH B3085 -5.154 -29.931 71.069 1.00 36.41 O HETATM 3510 O HOH B3086 1.363 -13.931 56.366 1.00 27.98 O HETATM 3511 O HOH B3087 -9.321 -22.211 62.825 1.00 68.32 O HETATM 3512 O HOH B3088 -13.943 -14.834 77.539 1.00 83.93 O HETATM 3513 O HOH B3089 3.809 -8.010 65.226 1.00 19.34 O HETATM 3514 O HOH B3090 9.806 -20.732 74.379 1.00 56.60 O HETATM 3515 O HOH B3091 -9.925 -22.251 80.846 1.00 29.53 O HETATM 3516 O HOH B3092 10.950 -26.429 70.278 1.00 42.64 O HETATM 3517 O HOH B3093 -3.828 -0.837 62.483 1.00151.84 O HETATM 3518 O HOH B3094 -8.004 -2.436 84.212 1.00 28.72 O HETATM 3519 O HOH B3095 -19.654 -2.470 72.587 1.00 53.83 O HETATM 3520 O HOH B3096 22.552 -20.002 75.789 1.00 43.83 O HETATM 3521 O HOH B3097 -7.208 -10.503 89.137 1.00 20.75 O HETATM 3522 O HOH B3098 17.554 -4.336 83.223 1.00 47.15 O HETATM 3523 O HOH B3099 3.059 -23.441 71.371 1.00 29.89 O HETATM 3524 O HOH B3100 4.313 -2.365 75.166 1.00 50.97 O HETATM 3525 O HOH B3101 -11.094 -20.750 88.296 1.00 53.93 O HETATM 3526 O HOH B3102 6.442 -26.414 77.759 1.00 32.42 O HETATM 3527 O HOH B3103 -9.279 0.425 67.750 1.00123.37 O HETATM 3528 O HOH B3104 14.688 -9.394 87.784 1.00 36.69 O HETATM 3529 O HOH B3105 -7.057 -11.641 82.081 1.00 45.53 O HETATM 3530 O HOH B3106 16.114 -9.000 75.375 1.00 51.03 O HETATM 3531 O HOH B3107 -4.603 0.467 64.889 1.00194.45 O HETATM 3532 O HOH B3108 -17.524 1.615 76.383 1.00 46.88 O HETATM 3533 O HOH B3109 -14.994 -16.129 71.617 1.00 31.49 O HETATM 3534 O HOH B3110 1.499 -20.047 80.283 1.00 75.94 O HETATM 3535 O HOH B3111 -12.064 -17.058 61.496 1.00 39.85 O HETATM 3536 O HOH B3112 8.598 -26.132 74.578 1.00 39.24 O HETATM 3537 O HOH B3113 4.556 -14.515 64.390 1.00 54.72 O HETATM 3538 O HOH B3114 -19.351 -18.217 84.853 1.00 50.81 O HETATM 3539 O HOH B3115 6.323 -21.643 63.499 1.00 50.92 O HETATM 3540 O HOH B3116 14.826 -11.061 59.139 1.00 35.05 O HETATM 3541 O HOH B3117 16.038 -2.848 66.796 1.00 29.68 O HETATM 3542 O HOH B3118 -2.400 -7.240 87.070 1.00 73.95 O HETATM 3543 O HOH B3119 5.214 -27.598 71.717 1.00 50.39 O HETATM 3544 O HOH B3120 -6.798 0.463 82.038 1.00 33.69 O HETATM 3545 O HOH B3121 9.329 -2.683 78.469 1.00 56.14 O HETATM 3546 O HOH B3122 -11.356 -22.849 77.051 1.00 57.59 O HETATM 3547 O HOH B3123 15.809 -3.235 64.101 1.00 41.78 O HETATM 3548 O HOH B3124 -12.744 -14.557 59.628 1.00 33.10 O HETATM 3549 O HOH B3125 -6.109 -26.620 78.323 1.00 44.29 O HETATM 3550 O HOH B3126 -21.265 -9.931 66.923 1.00 56.67 O HETATM 3551 O HOH B3127 -7.118 -21.109 86.075 1.00 36.21 O HETATM 3552 O HOH B3128 -9.779 -15.346 58.591 1.00 34.04 O HETATM 3553 O HOH B3129 -1.227 -12.464 86.071 1.00185.12 O HETATM 3554 O HOH B3130 10.242 -0.872 67.306 1.00 37.84 O HETATM 3555 O HOH B3131 -15.109 1.622 67.670 1.00 51.24 O HETATM 3556 O HOH B3132 -3.381 5.654 69.496 1.00 48.26 O HETATM 3557 O HOH B3133 11.111 -15.192 59.776 1.00 51.06 O HETATM 3558 O HOH B3134 -5.464 1.265 76.770 1.00 25.54 O HETATM 3559 O HOH B3135 -10.985 4.231 73.288 1.00 32.69 O HETATM 3560 O HOH B3136 10.837 -3.213 85.251 1.00 23.47 O HETATM 3561 O HOH B3137 -8.415 6.029 73.983 1.00 43.57 O HETATM 3562 O HOH B3138 18.228 -3.264 78.348 1.00 51.67 O HETATM 3563 O HOH B3139 -6.918 -4.450 80.876 1.00147.12 O HETATM 3564 O HOH B3140 16.419 -11.088 77.591 1.00 36.02 O HETATM 3565 O HOH B3141 10.789 -19.176 85.658 1.00 35.30 O HETATM 3566 O HOH B3142 -18.093 -11.390 81.826 1.00 67.79 O HETATM 3567 O HOH B3143 7.446 -2.420 76.343 1.00 48.90 O HETATM 3568 O HOH B3144 6.751 0.957 73.234 1.00 40.68 O HETATM 3569 O HOH B3145 -2.067 -7.802 59.200 1.00 27.59 O HETATM 3570 O HOH B3146 16.281 -7.093 87.519 1.00 49.42 O HETATM 3571 O HOH B3147 -1.220 -13.660 65.529 1.00161.72 O HETATM 3572 O HOH B3148 15.058 -9.882 65.585 1.00 53.12 O HETATM 3573 O HOH B3149 8.718 0.913 78.608 1.00 36.07 O TER 3575 HOH B3149 HETATM 3575 O HOH C3004 4.537 3.950 57.445 1.00 14.58 O HETATM 3576 O HOH C3005 -7.367 6.655 38.165 1.00 11.23 O HETATM 3577 O HOH C3006 -15.074 2.906 37.873 1.00 21.30 O HETATM 3578 O HOH C3007 -5.051 7.546 39.162 1.00 18.54 O HETATM 3579 O HOH C3008 -3.229 4.026 35.349 1.00 79.52 O HETATM 3580 O HOH C3009 6.418 13.368 53.830 1.00 19.63 O HETATM 3581 O HOH C3010 -8.882 15.332 52.329 1.00 33.88 O HETATM 3582 O HOH C3011 -12.397 13.181 50.887 1.00 23.76 O HETATM 3583 O HOH C3012 -19.475 -0.820 47.919 1.00 43.23 O HETATM 3584 O HOH C3013 -9.371 10.876 37.331 1.00 13.66 O HETATM 3585 O HOH C3014 -22.360 8.960 56.628 1.00 21.52 O HETATM 3586 O HOH C3015 9.118 -6.660 41.841 1.00 32.11 O HETATM 3587 O HOH C3016 0.955 -5.572 54.091 1.00 16.25 O HETATM 3588 O HOH C3017 -10.780 14.041 45.676 1.00 39.40 O HETATM 3589 O HOH C3018 8.920 1.901 43.377 1.00 34.94 O HETATM 3590 O HOH C3019 -2.089 -7.753 40.292 1.00 30.67 O HETATM 3591 O HOH C3020 -4.887 -4.836 59.191 1.00 41.62 O HETATM 3592 O HOH C3021 1.619 3.063 48.162 1.00 24.75 O HETATM 3593 O HOH C3022 -4.919 14.825 54.176 1.00 79.01 O HETATM 3594 O HOH C3023 -11.816 16.033 48.107 1.00 15.64 O HETATM 3595 O HOH C3024 11.042 -7.799 47.013 1.00 18.47 O HETATM 3596 O HOH C3025 13.701 3.871 47.454 1.00 46.00 O HETATM 3597 O HOH C3026 -17.496 13.137 61.251 1.00 64.21 O HETATM 3598 O HOH C3027 -2.372 7.556 55.206 1.00 38.73 O HETATM 3599 O HOH C3028 -1.754 3.540 66.383 1.00 19.66 O HETATM 3600 O HOH C3029 1.797 2.683 52.583 1.00 14.49 O HETATM 3601 O HOH C3030 3.707 15.201 39.674 1.00 28.96 O HETATM 3602 O HOH C3031 -19.111 14.860 53.546 1.00 42.16 O HETATM 3603 O HOH C3032 0.860 20.542 46.872 1.00 86.67 O HETATM 3604 O HOH C3033 -15.248 13.520 51.096 1.00 16.58 O HETATM 3605 O HOH C3034 -9.454 12.688 49.119 1.00 24.52 O HETATM 3606 O HOH C3035 -8.387 -7.102 62.053 1.00 32.78 O HETATM 3607 O HOH C3036 -14.040 0.598 37.514 1.00 32.82 O HETATM 3608 O HOH C3037 -5.730 -6.359 52.345 1.00 35.70 O HETATM 3609 O HOH C3038 7.985 8.856 55.804 1.00 53.19 O HETATM 3610 O HOH C3039 3.843 9.125 36.630 1.00 73.68 O HETATM 3611 O HOH C3040 -15.929 -3.866 62.593 1.00 16.13 O HETATM 3612 O HOH C3041 13.300 -8.450 46.109 1.00 34.22 O HETATM 3613 O HOH C3042 -21.780 3.100 46.844 1.00 36.81 O HETATM 3614 O HOH C3043 -11.678 -5.142 62.807 1.00 70.37 O HETATM 3615 O HOH C3044 -20.594 17.337 52.070 1.00 38.22 O HETATM 3616 O HOH C3045 -3.466 0.601 35.933 1.00 23.49 O HETATM 3617 O HOH C3046 -6.865 7.080 33.556 1.00 35.44 O HETATM 3618 O HOH C3047 -5.994 21.395 46.354 1.00 29.89 O HETATM 3619 O HOH C3048 -0.830 8.106 59.374 1.00 51.25 O HETATM 3620 O HOH C3049 -20.448 -2.938 45.973 1.00 38.14 O HETATM 3621 O HOH C3050 1.612 16.376 39.549 1.00 23.50 O HETATM 3622 O HOH C3051 7.857 16.292 53.483 1.00 41.18 O HETATM 3623 O HOH C3052 -17.321 6.012 40.482 1.00 73.03 O HETATM 3624 O HOH C3053 -13.075 0.749 42.806 1.00 14.96 O HETATM 3625 O HOH C3054 3.866 1.072 38.343 1.00 31.77 O HETATM 3626 O HOH C3055 6.127 8.943 47.484 1.00 78.61 O HETATM 3627 O HOH C3056 7.192 7.750 36.697 1.00 43.63 O HETATM 3628 O HOH C3057 -10.601 6.332 36.364 1.00 7.94 O HETATM 3629 O HOH C3058 13.911 -3.532 50.865 1.00 15.51 O HETATM 3630 O HOH C3059 -8.302 4.374 32.886 1.00 18.57 O HETATM 3631 O HOH C3060 5.912 4.946 54.255 1.00 60.26 O HETATM 3632 O HOH C3061 -19.218 -3.295 62.032 1.00 20.64 O HETATM 3633 O HOH C3062 -14.502 16.080 49.092 1.00 50.56 O HETATM 3634 O HOH C3063 -17.812 -4.482 52.625 1.00 58.43 O HETATM 3635 O HOH C3064 -7.222 18.340 45.166 1.00 27.02 O HETATM 3636 O HOH C3065 -6.328 9.885 36.651 1.00 46.54 O HETATM 3637 O HOH C3066 -19.580 14.728 59.603 1.00 66.91 O HETATM 3638 O HOH C3067 4.644 0.204 67.718 1.00 23.38 O HETATM 3639 O HOH C3068 -15.216 9.578 49.354 1.00 91.22 O HETATM 3640 O HOH C3069 14.668 9.101 57.529 1.00 48.89 O HETATM 3641 O HOH C3070 -7.195 16.639 47.301 1.00 19.01 O HETATM 3642 O HOH C3071 -3.803 11.174 38.291 1.00 32.30 O HETATM 3643 O HOH C3072 10.585 1.231 40.068 1.00 45.21 O HETATM 3644 O HOH C3073 1.630 2.208 40.958 1.00 24.93 O HETATM 3645 O HOH C3074 0.639 -8.146 54.692 1.00 41.82 O HETATM 3646 O HOH C3075 -7.989 16.734 42.184 1.00 36.64 O HETATM 3647 O HOH C3076 -7.244 -13.220 40.381 1.00 63.29 O HETATM 3648 O HOH C3077 -7.278 14.720 57.110 1.00 29.03 O HETATM 3649 O HOH C3078 -9.433 3.807 37.005 1.00 63.29 O HETATM 3650 O HOH C3079 -9.233 1.235 41.748 1.00 31.07 O HETATM 3651 O HOH C3080 -23.768 3.299 42.183 1.00 37.11 O HETATM 3652 O HOH C3081 -20.894 -6.991 62.406 1.00 26.18 O HETATM 3653 O HOH C3082 14.122 11.968 61.715 1.00 42.84 O HETATM 3654 O HOH C3083 -19.835 15.478 45.181 1.00 26.55 O HETATM 3655 O HOH C3084 -10.889 11.112 50.532 1.00 48.74 O HETATM 3656 O HOH C3085 -6.673 -10.454 39.273 1.00 51.24 O HETATM 3657 O HOH C3086 1.880 13.522 62.991 1.00 21.10 O HETATM 3658 O HOH C3087 -21.690 -3.347 51.829 1.00 33.03 O HETATM 3659 O HOH C3088 -19.021 11.212 51.047 1.00 35.44 O HETATM 3660 O HOH C3089 -9.642 12.939 56.937 1.00 79.85 O HETATM 3661 O HOH C3090 -22.281 -2.404 60.198 1.00 20.83 O HETATM 3662 O HOH C3091 0.009 -15.226 48.444 1.00 47.76 O HETATM 3663 O HOH C3092 -16.389 18.296 47.520 1.00 37.52 O HETATM 3664 O HOH C3093 -9.412 -4.981 51.905 1.00 43.23 O HETATM 3665 O HOH C3094 12.149 8.619 45.137 1.00 27.84 O HETATM 3666 O HOH C3095 15.244 12.298 56.159 1.00 52.36 O HETATM 3667 O HOH C3096 -12.018 17.095 34.912 1.00 41.37 O HETATM 3668 O HOH C3097 -21.955 10.890 53.490 1.00 35.46 O HETATM 3669 O HOH C3098 5.670 15.847 57.429 1.00 39.99 O HETATM 3670 O HOH C3099 1.882 3.013 64.892 1.00 40.50 O HETATM 3671 O HOH C3100 6.905 -4.400 60.769 1.00 30.88 O HETATM 3672 O HOH C3101 4.309 0.951 64.750 1.00 38.20 O HETATM 3673 O HOH C3102 -6.413 -11.090 43.496 1.00 22.53 O HETATM 3674 O HOH C3103 -0.507 -0.035 37.654 1.00 91.38 O HETATM 3675 O HOH C3104 -8.396 -3.109 43.054 1.00 32.06 O HETATM 3676 O HOH C3105 14.588 -3.250 47.688 1.00 60.88 O HETATM 3677 O HOH C3106 9.222 9.040 48.511 1.00 37.06 O HETATM 3678 O HOH C3107 3.625 14.927 45.850 1.00 47.29 O HETATM 3679 O HOH C3108 7.045 13.647 59.921 1.00 37.13 O HETATM 3680 O HOH C3109 -21.189 0.132 64.123 1.00 60.45 O HETATM 3681 O HOH C3110 11.433 13.292 53.103 1.00 35.47 O HETATM 3682 O HOH C3111 -18.308 -1.379 64.163 1.00 41.96 O HETATM 3683 O HOH C3112 3.855 -11.484 45.351 1.00 36.71 O HETATM 3684 O HOH C3113 -19.742 4.857 37.141 1.00 58.92 O HETATM 3685 O HOH C3114 -2.786 4.365 58.209 1.00194.45 O HETATM 3686 O HOH C3115 -7.238 -8.956 41.440 1.00 42.06 O HETATM 3687 O HOH C3116 -11.614 10.661 39.530 1.00 28.20 O HETATM 3688 O HOH C3117 -17.878 -4.061 45.464 1.00 46.61 O HETATM 3689 O HOH C3118 9.727 8.103 53.884 1.00 61.02 O HETATM 3690 O HOH C3119 7.018 1.161 64.192 1.00 46.07 O HETATM 3691 O HOH C3120 -14.395 -8.114 50.868 1.00 28.60 O HETATM 3692 O HOH C3121 -18.526 -8.267 47.256 1.00 54.54 O HETATM 3693 O HOH C3122 6.523 7.997 60.451 1.00 47.70 O HETATM 3694 O HOH C3123 4.768 -5.645 44.374 1.00144.14 O HETATM 3695 O HOH C3124 13.224 -4.215 54.937 1.00 52.78 O HETATM 3696 O HOH C3125 -11.769 -9.987 57.553 1.00 44.44 O HETATM 3697 O HOH C3126 -9.165 -7.744 44.378 1.00 15.99 O HETATM 3698 O HOH C3127 -21.553 -4.438 55.607 1.00 66.72 O HETATM 3699 O HOH C3128 1.494 -3.842 56.485 1.00185.50 O HETATM 3700 O HOH C3129 -12.388 -2.027 37.865 1.00 48.15 O HETATM 3701 O HOH C3130 2.660 23.191 44.982 1.00 40.92 O HETATM 3702 O HOH C3131 -21.066 5.062 55.590 1.00 56.96 O HETATM 3703 O HOH C3132 14.165 -0.834 52.968 1.00 43.37 O HETATM 3704 O HOH C3133 10.798 11.221 45.273 1.00 32.29 O HETATM 3705 O HOH C3134 -21.198 6.745 65.404 1.00 35.15 O HETATM 3706 O HOH C3135 11.914 8.923 34.494 1.00 62.03 O HETATM 3707 O HOH C3136 16.382 8.324 51.858 1.00 40.46 O TER 3709 HOH C3136 HETATM 3709 O HOH D3006 1.319 -20.600 32.194 1.00 46.92 O HETATM 3710 O HOH D3007 7.838 -19.453 25.889 1.00 16.65 O HETATM 3711 O HOH D3008 2.731 -13.600 13.741 1.00 41.65 O HETATM 3712 O HOH D3009 11.049 -10.209 13.270 1.00 49.54 O HETATM 3713 O HOH D3010 -7.625 -1.892 29.829 1.00 20.25 O HETATM 3714 O HOH D3011 4.594 -21.871 29.122 1.00 34.04 O HETATM 3715 O HOH D3012 -0.316 -14.662 16.339 1.00 12.99 O HETATM 3716 O HOH D3013 -13.707 -15.709 31.550 1.00 89.67 O HETATM 3717 O HOH D3014 -3.589 -6.953 9.400 1.00 39.42 O HETATM 3718 O HOH D3015 -9.603 -10.967 34.224 1.00 21.67 O HETATM 3719 O HOH D3016 -11.757 4.417 20.556 1.00 34.18 O HETATM 3720 O HOH D3017 6.272 -22.210 24.197 1.00 9.98 O HETATM 3721 O HOH D3018 -2.287 -11.196 10.947 1.00 81.69 O HETATM 3722 O HOH D3019 6.129 -0.931 17.831 1.00 51.46 O HETATM 3723 O HOH D3020 9.797 -15.381 25.189 1.00 14.56 O HETATM 3724 O HOH D3021 4.328 -17.727 14.318 1.00 29.21 O HETATM 3725 O HOH D3022 -19.525 -5.115 25.779 1.00 31.89 O HETATM 3726 O HOH D3023 -5.012 -23.565 29.824 1.00 68.59 O HETATM 3727 O HOH D3024 -11.465 -20.195 29.062 1.00 25.36 O HETATM 3728 O HOH D3025 -15.430 -8.556 19.286 1.00 41.64 O HETATM 3729 O HOH D3026 -0.344 -26.383 26.179 1.00 34.53 O HETATM 3730 O HOH D3027 -3.259 -14.208 30.276 1.00 12.62 O HETATM 3731 O HOH D3028 2.115 -23.571 18.545 1.00 31.54 O HETATM 3732 O HOH D3029 5.628 -13.153 12.636 1.00 19.16 O HETATM 3733 O HOH D3030 -4.672 3.494 26.858 1.00 11.19 O HETATM 3734 O HOH D3031 9.717 -23.643 36.311 1.00 50.09 O HETATM 3735 O HOH D3032 -2.273 -17.992 13.849 1.00 39.66 O HETATM 3736 O HOH D3033 8.499 -1.510 26.466 1.00 68.23 O HETATM 3737 O HOH D3034 12.839 -0.656 27.259 1.00 32.19 O HETATM 3738 O HOH D3035 -11.621 -11.797 31.273 1.00 52.09 O HETATM 3739 O HOH D3036 3.642 -14.212 16.663 1.00 61.15 O HETATM 3740 O HOH D3037 5.181 -21.081 22.281 1.00 76.76 O HETATM 3741 O HOH D3038 17.739 -16.837 32.890 1.00 59.06 O HETATM 3742 O HOH D3039 7.532 -21.834 29.519 1.00 30.90 O HETATM 3743 O HOH D3040 -16.768 0.697 22.807 1.00 37.16 O HETATM 3744 O HOH D3041 -13.427 -18.164 34.401 1.00 49.20 O HETATM 3745 O HOH D3042 -19.567 -5.742 22.238 1.00 32.25 O HETATM 3746 O HOH D3043 -10.215 -12.851 28.522 1.00 78.54 O HETATM 3747 O HOH D3044 13.993 -21.212 30.553 1.00 16.52 O HETATM 3748 O HOH D3045 5.657 -17.755 22.505 1.00 60.68 O HETATM 3749 O HOH D3046 -9.285 -7.994 13.903 1.00 46.31 O HETATM 3750 O HOH D3047 14.931 -5.665 23.800 1.00 61.28 O HETATM 3751 O HOH D3048 -8.059 0.883 29.893 1.00 35.16 O HETATM 3752 O HOH D3049 1.566 -22.774 23.234 1.00 15.20 O HETATM 3753 O HOH D3050 -15.874 -17.769 26.304 1.00 13.61 O HETATM 3754 O HOH D3051 14.223 -20.914 35.258 1.00 29.52 O HETATM 3755 O HOH D3052 7.772 -18.972 18.721 1.00 54.04 O HETATM 3756 O HOH D3053 -1.919 -7.392 12.461 1.00 74.55 O HETATM 3757 O HOH D3054 -13.040 -15.250 12.502 1.00 49.83 O HETATM 3758 O HOH D3055 -0.427 -26.281 20.610 1.00 80.21 O HETATM 3759 O HOH D3056 4.728 -19.807 25.165 1.00 58.20 O HETATM 3760 O HOH D3057 4.642 -22.043 19.943 1.00 41.68 O HETATM 3761 O HOH D3058 -15.994 -16.336 10.683 1.00 41.60 O HETATM 3762 O HOH D3059 6.580 -11.891 10.282 1.00 26.41 O HETATM 3763 O HOH D3060 6.335 -19.977 28.408 1.00 62.01 O HETATM 3764 O HOH D3061 -8.725 -2.815 33.939 1.00 75.32 O HETATM 3765 O HOH D3062 -19.339 -7.573 24.962 1.00 71.03 O HETATM 3766 O HOH D3063 12.339 -19.520 37.590 1.00 60.04 O HETATM 3767 O HOH D3064 2.427 -25.609 21.452 1.00 41.68 O HETATM 3768 O HOH D3065 -21.038 -2.903 23.139 1.00 64.77 O HETATM 3769 O HOH D3066 9.020 -7.749 13.091 1.00 21.39 O HETATM 3770 O HOH D3067 10.278 1.214 27.594 1.00 23.86 O HETATM 3771 O HOH D3068 -11.593 -20.650 35.591 1.00 27.46 O HETATM 3772 O HOH D3069 -1.072 0.575 32.613 1.00 37.41 O HETATM 3773 O HOH D3070 5.352 -17.851 26.607 1.00 72.09 O HETATM 3774 O HOH D3071 1.229 -16.279 12.948 1.00 61.12 O HETATM 3775 O HOH D3072 -2.313 -28.661 26.122 1.00 69.55 O HETATM 3776 O HOH D3073 -19.466 -2.279 26.078 1.00 47.07 O HETATM 3777 O HOH D3074 1.573 -28.149 22.929 1.00 33.11 O HETATM 3778 O HOH D3075 14.018 -17.989 22.346 1.00 24.12 O HETATM 3779 O HOH D3076 3.958 -11.802 10.454 1.00 37.93 O HETATM 3780 O HOH D3077 -10.558 -0.331 33.879 1.00 43.13 O HETATM 3781 O HOH D3078 -19.324 -10.756 23.100 1.00 46.84 O HETATM 3782 O HOH D3079 -21.678 -2.335 19.671 1.00 24.63 O HETATM 3783 O HOH D3080 10.308 -2.290 18.891 1.00 61.74 O HETATM 3784 O HOH D3081 -7.299 -8.910 16.521 1.00 74.21 O HETATM 3785 O HOH D3082 -12.333 -16.345 22.053 1.00 39.48 O HETATM 3786 O HOH D3083 4.156 -9.605 19.001 1.00 29.91 O HETATM 3787 O HOH D3084 13.634 -18.478 27.317 1.00 26.07 O HETATM 3788 O HOH D3085 3.636 -9.594 14.558 1.00 19.76 O HETATM 3789 O HOH D3086 19.315 -19.259 33.189 1.00 36.96 O HETATM 3790 O HOH D3087 3.987 -17.410 24.303 1.00194.45 O HETATM 3791 O HOH D3088 -15.678 1.140 29.354 1.00 32.16 O HETATM 3792 O HOH D3089 11.656 -8.404 5.839 1.00 39.53 O HETATM 3793 O HOH D3090 -8.208 -27.105 23.436 1.00 50.19 O HETATM 3794 O HOH D3091 4.514 0.500 21.831 1.00 31.12 O HETATM 3795 O HOH D3092 3.160 -3.318 20.365 1.00 45.94 O HETATM 3796 O HOH D3093 13.575 -3.436 21.780 1.00 48.40 O HETATM 3797 O HOH D3094 16.989 -3.121 30.842 1.00 39.96 O HETATM 3798 O HOH D3095 -13.214 -13.580 37.837 1.00 42.12 O HETATM 3799 O HOH D3096 13.998 -12.759 35.103 1.00 46.34 O HETATM 3800 O HOH D3097 -6.076 -11.720 33.898 1.00 44.21 O HETATM 3801 O HOH D3098 9.583 -10.549 44.402 1.00 30.32 O HETATM 3802 O HOH D3099 -4.875 0.100 16.868 1.00127.60 O HETATM 3803 O HOH D3100 17.522 -3.872 34.830 1.00 43.87 O HETATM 3804 O HOH D3101 8.367 -1.907 30.208 1.00 66.43 O HETATM 3805 O HOH D3102 1.968 -13.273 9.298 1.00 39.62 O HETATM 3806 O HOH D3103 17.878 -18.273 29.110 1.00 32.47 O HETATM 3807 O HOH D3104 -2.307 -23.114 30.261 1.00 46.48 O HETATM 3808 O HOH D3105 1.989 6.049 15.650 1.00 52.56 O HETATM 3809 O HOH D3106 9.953 -14.627 9.289 1.00 51.07 O HETATM 3810 O HOH D3107 5.867 -13.976 42.554 1.00 37.91 O HETATM 3811 O HOH D3108 10.237 -5.202 14.751 1.00 35.89 O HETATM 3812 O HOH D3109 13.132 -0.537 40.943 1.00 64.84 O HETATM 3813 O HOH D3110 -5.960 -29.890 30.663 1.00 47.77 O HETATM 3814 O HOH D3111 8.594 -7.992 5.994 1.00 29.67 O HETATM 3815 O HOH D3112 1.186 2.778 15.038 1.00 51.69 O HETATM 3816 O HOH D3113 -14.143 1.398 33.333 1.00 29.70 O HETATM 3817 O HOH D3114 4.142 -19.431 33.260 1.00 66.55 O HETATM 3818 O HOH D3115 -12.173 -12.192 13.551 1.00 64.38 O HETATM 3819 O HOH D3116 12.166 -5.513 22.620 1.00187.12 O HETATM 3820 O HOH D3117 13.916 -4.590 38.554 1.00 28.41 O HETATM 3821 O HOH D3118 13.814 -18.511 19.109 1.00 55.98 O HETATM 3822 O HOH D3119 0.919 -7.601 10.467 1.00 54.42 O HETATM 3823 O HOH D3120 11.152 -23.198 26.709 1.00 35.50 O HETATM 3824 O HOH D3121 3.409 -0.733 17.837 1.00 50.29 O HETATM 3825 O HOH D3122 17.522 -10.202 35.750 1.00 53.38 O HETATM 3826 O HOH D3123 11.906 -16.923 23.546 1.00 48.82 O HETATM 3827 O HOH D3124 13.282 -16.823 14.673 1.00 40.54 O HETATM 3828 O HOH D3125 11.525 -3.234 39.802 1.00 22.62 O HETATM 3829 O HOH D3126 -9.509 0.561 19.919 1.00 70.40 O HETATM 3830 O HOH D3127 6.119 -18.077 16.724 1.00 54.39 O HETATM 3831 O HOH D3128 -15.856 1.781 20.057 1.00 29.97 O HETATM 3832 O HOH D3129 1.288 2.536 18.176 1.00 47.05 O HETATM 3833 O HOH D3130 2.520 -19.396 23.588 1.00194.45 O HETATM 3834 O HOH D3131 -9.436 -9.470 39.389 1.00 32.93 O HETATM 3835 O HOH D3132 3.562 -2.277 28.096 1.00 40.06 O HETATM 3836 O HOH D3133 8.462 -13.343 13.116 1.00194.45 O HETATM 3837 O HOH D3134 -7.656 -29.536 21.979 1.00 26.46 O HETATM 3838 O HOH D3135 8.115 -10.507 32.145 1.00176.13 O HETATM 3839 O HOH D3136 13.542 -7.104 41.403 1.00 51.60 O HETATM 3840 O HOH D3137 -12.250 -7.959 41.500 1.00 50.34 O HETATM 3841 O HOH D3138 -19.441 1.161 21.131 1.00 46.47 O HETATM 3842 O HOH D3139 9.027 -22.058 25.007 1.00 48.33 O HETATM 3843 O HOH D3140 2.121 -11.917 15.935 1.00194.45 O HETATM 3844 O HOH D3141 -1.471 -3.733 37.682 1.00 53.99 O HETATM 3845 O HOH D3142 19.860 -18.536 22.270 1.00 25.05 O HETATM 3846 O HOH D3143 -11.349 -14.502 43.803 1.00 44.00 O HETATM 3847 O HOH D3144 7.183 -9.590 8.657 1.00 44.56 O TER 3848 HOH D3144 ENDMDL MASTER END