USER MOD reduce.3.24.130724 H: found=0, std=0, add=1462, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSPORT PROTEIN 10-SEP-14 4RAI TITLE CRYSTAL STRUCTURE OF CNG MIMICKING NAK-ETPP MUTANT IN COMPLEX WITH NA+ COMPND MOL_ID: 1; COMPND 2 MOLECULE: POTASSIUM CHANNEL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 20-110; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 14579; SOURCE 3 ORGANISM_TAXID: 226900; SOURCE 4 STRAIN: ATCC 14579 / DSM 31; SOURCE 5 GENE: BC_0669; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: XL1-BLUE; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PQE60 KEYWDS ALPHA HELICAL MEMBRANE PROTEIN, CHIMERA CHANNEL, TRANSPORT PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR M.DE MARCH,L.M.R.NAPOLITANO,S.ONESTI REVDAT 2 22-JUL-15 4RAI 1 JRNL REVDAT 1 01-JUL-15 4RAI 0 JRNL AUTH L.M.NAPOLITANO,I.BISHA,M.DE MARCH,A.MARCHESI,M.ARCANGELETTI, JRNL AUTH 2 N.DEMITRI,M.MAZZOLINI,A.RODRIGUEZ,A.MAGISTRATO,S.ONESTI, JRNL AUTH 3 A.LAIO,V.TORRE JRNL TITL A STRUCTURAL, FUNCTIONAL, AND COMPUTATIONAL ANALYSIS JRNL TITL 2 SUGGESTS PORE FLEXIBILITY AS THE BASE FOR THE POOR JRNL TITL 3 SELECTIVITY OF CNG CHANNELS. JRNL REF PROC.NATL.ACAD.SCI.USA V. 112 E3619 2015 JRNL REFN ISSN 0027-8424 JRNL PMID 26100907 JRNL DOI 10.1073/PNAS.1503334112 REMARK 2 REMARK 2 RESOLUTION. 2.31 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.31 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 53.35 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.700 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 3376 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.148 REMARK 3 R VALUE (WORKING SET) : 0.144 REMARK 3 FREE R VALUE : 0.215 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 211 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 REFLECTION IN BIN (WORKING SET) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE SET COUNT : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1369 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 97 REMARK 3 SOLVENT ATOMS : 40 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): NULL REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : NULL REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): NULL ; 0.015 ; NULL REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): NULL ; 1.771 ; NULL REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): NULL ; NULL ; NULL REMARK 3 GENERAL PLANES REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : NULL REMARK 3 ION PROBE RADIUS : NULL REMARK 3 SHRINKAGE RADIUS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4RAI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-SEP-14. REMARK 100 THE RCSB ID CODE IS RCSB087104. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 26-JUL-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 - 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID29 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9762 REMARK 200 MONOCHROMATOR : SI111 REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : PSI PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8580 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.310 REMARK 200 RESOLUTION RANGE LOW (A) : 53.350 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.700 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.31 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 53.35 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.3 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.09600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: 3K0D REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.34 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.34 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CNG-ETPP(K+) CRYSTALS GROWN IN 100MM REMARK 280 MES PH 6.5, 60-66% (W/V) MPD, 100MM GLYCINE, SOAKING O.N. IN 70% REMARK 280 MPD, 10MM DM, 100MM HEPES PH 7.5 AND 100MM NACL, VAPOR DIFFUSION, REMARK 280 HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y,X,Z REMARK 290 4555 Y,-X,Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -Y+1/2,X+1/2,Z+1/2 REMARK 290 8555 Y+1/2,-X+1/2,Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 33.82500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 33.82500 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 43.38500 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 33.82500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 33.82500 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 43.38500 REMARK 290 SMTRY1 7 0.000000 -1.000000 0.000000 33.82500 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 33.82500 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 43.38500 REMARK 290 SMTRY1 8 0.000000 1.000000 0.000000 33.82500 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 33.82500 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 43.38500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 300 REMARK: TETRAMERIC CHANNEL WITH PORE ON 4-FOLD AXIS 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: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 12360 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14430 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -266.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 67.65000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 67.65000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 -1.000000 0.000000 67.65000 REMARK 350 BIOMT2 3 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 -1.000000 0.000000 0.000000 67.65000 REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 11070 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 17360 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -168.0 KCAL/MOL 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 BIOMT1 2 -1.000000 0.000000 0.000000 67.65000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 67.65000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 0.000000 -1.000000 0.000000 67.65000 REMARK 350 BIOMT2 3 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 -1.000000 0.000000 0.000000 67.65000 REMARK 350 BIOMT3 4 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 NA NA A 201 LIES ON A SPECIAL POSITION. REMARK 375 NA NA A 202 LIES ON A SPECIAL POSITION. REMARK 375 NA NA A 203 LIES ON A SPECIAL POSITION. REMARK 375 NA NA A 204 LIES ON A SPECIAL POSITION. REMARK 375 NA NA B 201 LIES ON A SPECIAL POSITION. REMARK 375 NA NA B 202 LIES ON A SPECIAL POSITION. REMARK 375 NA NA B 203 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 315 LIES ON A SPECIAL POSITION. REMARK 375 HOH B 317 LIES ON A SPECIAL POSITION. REMARK 375 HOH B 319 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 314 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 18 REMARK 465 ALA A 19 REMARK 465 LYS A 20 REMARK 465 ASP A 21 REMARK 465 LYS A 22 REMARK 465 GLU A 23 REMARK 465 ARG A 113 REMARK 465 MET B 18 REMARK 465 ALA B 19 REMARK 465 ARG B 113 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLN A 25 CG CD OE1 NE2 REMARK 470 LEU A 27 CG CD1 CD2 REMARK 470 LEU A 33 CG CD1 CD2 REMARK 470 LYS A 96 CG CD CE NZ REMARK 470 VAL A 99 CB CG1 CG2 REMARK 470 LEU A 103 CG CD1 CD2 REMARK 470 PRO A 104 CG CD REMARK 470 SER A 105 OG REMARK 470 ILE A 106 CG1 CG2 CD1 REMARK 470 LEU A 107 CB CG CD1 CD2 REMARK 470 SER A 108 OG REMARK 470 ASN A 109 CB CG OD1 ND2 REMARK 470 LEU A 110 CG CD1 CD2 REMARK 470 VAL A 111 CG1 CG2 REMARK 470 LYS B 20 CG CD CE NZ REMARK 470 LYS B 22 CG CD CE NZ REMARK 470 GLN B 71 CG CD OE1 NE2 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 VAL A 99 O REMARK 480 VAL A 101 O REMARK 480 LEU A 103 N CB REMARK 480 PRO A 104 N REMARK 480 PRO A 112 C O REMARK 480 LYS B 20 CB REMARK 480 GLU B 46 OE2 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 VAL A 99 C VAL A 99 O -0.199 REMARK 500 PRO A 112 CA PRO A 112 C -0.330 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 49 NE - CZ - NH1 ANGL. DEV. = 3.2 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 ASN A 100 40.66 -140.76 REMARK 500 GLN A 102 -61.70 -99.46 REMARK 500 SER A 108 77.28 -60.58 REMARK 500 ASN A 109 -45.64 171.04 REMARK 500 LEU A 110 -73.43 -63.78 REMARK 500 VAL A 111 82.82 -37.42 REMARK 500 VAL B 101 -61.39 -125.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ASP B 21 23.2 L L OUTSIDE RANGE 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 A 310 DISTANCE = 5.73 ANGSTROMS REMARK 525 HOH B 307 DISTANCE = 6.78 ANGSTROMS REMARK 525 HOH B 310 DISTANCE = 5.10 ANGSTROMS REMARK 525 HOH B 319 DISTANCE = 5.57 ANGSTROMS REMARK 525 HOH B 320 DISTANCE = 5.14 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 202 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 THR A 63 O REMARK 620 2 VAL A 64 O 75.3 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA B 202 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 THR B 63 O REMARK 620 2 THR B 63 OG1 62.6 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 203 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 THR A 63 OG1 REMARK 620 2 THR A 63 O 58.1 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA B 203 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 VAL B 64 O REMARK 620 2 THR B 63 O 76.4 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLY A 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLY A 208 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD B 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD B 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD B 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLY B 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLY B 208 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLY B 209 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLY B 211 REMARK 800 REMARK 800 SITE_IDENTIFIER: CC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLY B 212 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3K0D RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF CNG MIMICKING NAK MUTANT, NAK-ETPP, K+ REMARK 900 COMPLEX REMARK 900 RELATED ID: 3K0G RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF CNG MIMICKING NAK MUTANT, NAK-ETPP, REMARK 900 NA+ COMPLEX REMARK 900 RELATED ID: 4R50 RELATED DB: PDB REMARK 900 RELATED ID: 4R6Z RELATED DB: PDB REMARK 900 RELATED ID: 4R7C RELATED DB: PDB REMARK 900 RELATED ID: 4R8B RELATED DB: PDB REMARK 900 RELATED ID: 4R8C RELATED DB: PDB REMARK 900 RELATED ID: 4RAR RELATED DB: PDB DBREF 4RAI A 20 109 UNP Q81HW2 Q81HW2_BACCR 20 110 DBREF 4RAI B 20 109 UNP Q81HW2 Q81HW2_BACCR 20 110 SEQADV 4RAI MET A 18 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI ALA A 19 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI GLU A 66 UNP Q81HW2 ASP 66 ENGINEERED MUTATION SEQADV 4RAI THR A 67 UNP Q81HW2 GLY 67 ENGINEERED MUTATION SEQADV 4RAI PRO A 68 UNP Q81HW2 ASN 68 ENGINEERED MUTATION SEQADV 4RAI PRO A 69 UNP Q81HW2 PHE 69 ENGINEERED MUTATION SEQADV 4RAI A UNP Q81HW2 SER 70 DELETION SEQADV 4RAI LEU A 110 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI VAL A 111 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI PRO A 112 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI ARG A 113 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI MET B 18 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI ALA B 19 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI GLU B 66 UNP Q81HW2 ASP 66 ENGINEERED MUTATION SEQADV 4RAI THR B 67 UNP Q81HW2 GLY 67 ENGINEERED MUTATION SEQADV 4RAI PRO B 68 UNP Q81HW2 ASN 68 ENGINEERED MUTATION SEQADV 4RAI PRO B 69 UNP Q81HW2 PHE 69 ENGINEERED MUTATION SEQADV 4RAI B UNP Q81HW2 SER 70 DELETION SEQADV 4RAI LEU B 110 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI VAL B 111 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI PRO B 112 UNP Q81HW2 EXPRESSION TAG SEQADV 4RAI ARG B 113 UNP Q81HW2 EXPRESSION TAG SEQRES 1 A 96 MET ALA LYS ASP LYS GLU PHE GLN VAL LEU PHE VAL LEU SEQRES 2 A 96 THR ILE LEU THR LEU ILE SER GLY THR ILE PHE TYR SER SEQRES 3 A 96 THR VAL GLU GLY LEU ARG PRO ILE ASP ALA LEU TYR PHE SEQRES 4 A 96 SER VAL VAL THR LEU THR THR VAL GLY GLU THR PRO PRO SEQRES 5 A 96 PRO GLN THR ASP PHE GLY LYS ILE PHE THR ILE LEU TYR SEQRES 6 A 96 ILE PHE ILE GLY ILE GLY LEU VAL PHE GLY PHE ILE HIS SEQRES 7 A 96 LYS LEU ALA VAL ASN VAL GLN LEU PRO SER ILE LEU SER SEQRES 8 A 96 ASN LEU VAL PRO ARG SEQRES 1 B 96 MET ALA LYS ASP LYS GLU PHE GLN VAL LEU PHE VAL LEU SEQRES 2 B 96 THR ILE LEU THR LEU ILE SER GLY THR ILE PHE TYR SER SEQRES 3 B 96 THR VAL GLU GLY LEU ARG PRO ILE ASP ALA LEU TYR PHE SEQRES 4 B 96 SER VAL VAL THR LEU THR THR VAL GLY GLU THR PRO PRO SEQRES 5 B 96 PRO GLN THR ASP PHE GLY LYS ILE PHE THR ILE LEU TYR SEQRES 6 B 96 ILE PHE ILE GLY ILE GLY LEU VAL PHE GLY PHE ILE HIS SEQRES 7 B 96 LYS LEU ALA VAL ASN VAL GLN LEU PRO SER ILE LEU SER SEQRES 8 B 96 ASN LEU VAL PRO ARG HET NA A 201 1 HET NA A 202 1 HET NA A 203 1 HET NA A 204 1 HET MPD A 205 8 HET MPD A 206 8 HET GLY A 207 5 HET GLY A 208 5 HET GLY A 209 5 HET NA B 201 1 HET NA B 202 1 HET NA B 203 1 HET MPD B 204 8 HET MPD B 205 8 HET MPD B 206 8 HET GLY B 207 5 HET GLY B 208 5 HET GLY B 209 5 HET GLY B 210 5 HET GLY B 211 5 HET GLY B 212 5 HET GLY B 213 5 HETNAM NA SODIUM ION HETNAM MPD (4S)-2-METHYL-2,4-PENTANEDIOL HETNAM GLY GLYCINE FORMUL 3 NA 7(NA 1+) FORMUL 7 MPD 5(C6 H14 O2) FORMUL 9 GLY 10(C2 H5 N O2) FORMUL 25 HOH *40(H2 O) HELIX 1 1 PHE A 24 GLU A 46 1 23 HELIX 2 2 ARG A 49 THR A 62 1 14 HELIX 3 3 THR A 72 VAL A 101 1 30 HELIX 4 4 GLN A 102 SER A 108 1 7 HELIX 5 5 ASP B 21 GLU B 46 1 26 HELIX 6 6 ARG B 49 THR B 62 1 14 HELIX 7 7 THR B 72 VAL B 101 1 30 HELIX 8 8 VAL B 101 ASN B 109 1 9 LINK O THR A 63 NA NA A 202 1555 1555 2.32 LINK O THR B 63 NA NA B 202 1555 1555 2.47 LINK O GLY A 65 NA NA A 201 1555 1555 2.73 LINK O GLY B 65 NA NA B 201 1555 1555 2.76 LINK OG1 THR A 63 NA NA A 203 1555 1555 2.78 LINK OG1 THR B 63 NA NA B 202 1555 1555 3.08 LINK O THR A 63 NA NA A 203 1555 1555 3.12 LINK O VAL A 64 NA NA A 202 1555 1555 3.14 LINK O VAL A 64 NA NA A 204 1555 1555 2.34 LINK O VAL B 64 NA NA B 203 1555 1555 2.45 LINK O THR B 63 NA NA B 203 1555 1555 3.08 SITE *** AC1 2 GLY A 65 NA A 204 SITE *** AC2 4 THR A 63 VAL A 64 NA A 203 NA A 204 SITE *** AC3 2 THR A 63 NA A 202 SITE *** AC4 4 VAL A 64 GLY A 65 NA A 201 NA A 202 SITE *** AC5 1 ASP A 52 SITE *** AC6 4 ILE A 32 ILE A 36 LEU A 54 GLY A 208 SITE *** AC7 5 GLU A 46 PHE A 56 PRO A 68 PRO A 69 SITE *** AC7 5 GLN A 71 SITE *** AC8 3 LEU A 81 PHE A 93 MPD A 206 SITE *** AC9 3 VAL B 64 GLY B 65 NA B 203 SITE *** BC1 2 THR B 63 NA B 203 SITE *** BC2 4 THR B 63 VAL B 64 NA B 201 NA B 202 SITE *** BC3 4 LEU A 81 SER B 37 ILE B 40 PHE B 41 SITE *** BC4 2 SER A 37 TYR A 82 SITE *** BC5 1 GLY B 212 SITE *** BC6 4 PHE B 56 PRO B 68 PRO B 69 PRO B 70 SITE *** BC7 1 GLU B 23 SITE *** BC8 2 PHE B 28 LEU B 81 SITE *** BC9 3 GLY B 88 ALA B 98 HOH B 316 SITE *** CC1 1 MPD B 206 CRYST1 67.650 67.650 86.770 90.00 90.00 90.00 I 4 16 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 0.014782 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014782 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011525 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 95 HIS : no HD1:sc= -0.723 K(o=-0.72,f=0) USER MOD Set 1.2: B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 57 SER OG : rot 84:sc= 0.484 USER MOD Set 2.2: B 82 TYR OH : rot -176:sc= 0.635 USER MOD Set 3.1: B 42 TYR OH : rot 176:sc= 1.17 USER MOD Set 3.2: B 79 THR OG1 : rot 72:sc= 2.38 USER MOD Set 4.1: A 57 SER OG : rot 84:sc= 0.504 USER MOD Set 4.2: A 82 TYR OH : rot -176:sc= 0.595 USER MOD Set 5.1: A 42 TYR OH : rot 177:sc= 1.02 USER MOD Set 5.2: A 79 THR OG1 : rot 73:sc= 2.27 USER MOD Single : A 31 THR OG1 : rot 83:sc= 0 USER MOD Single : A 34 THR OG1 : rot 91:sc= 0.672 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.758 USER MOD Single : A 43 SER OG : rot -79:sc= 1.06 USER MOD Single : A 44 THR OG1 : rot -77:sc= 0.324 USER MOD Single : A 55 TYR OH : rot 78:sc= -1.68! USER MOD Single : A 60 THR OG1 : rot 74:sc= 1.36 USER MOD Single : A 62 THR OG1 : rot -75:sc= 1.29 USER MOD Single : A 63 THR OG1 : rot -25:sc= 1.04 USER MOD Single : A 67 THR OG1 : rot 153:sc= 0.937 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot -66:sc= 1.61 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 100 ASN : amide:sc= -2.95! K(o=-3!,f=-1.3) USER MOD Single : A 102 GLN : amide:sc= -1.2! K(o=-1.2!,f=0) USER MOD Single : A 205 MPD O2 : rot -153:sc= 1.13 USER MOD Single : A 205 MPD O4 : rot 180:sc= 0.884 USER MOD Single : A 206 MPD O2 : rot 180:sc= 0 USER MOD Single : A 206 MPD O4 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.49) USER MOD Single : B 31 THR OG1 : rot 82:sc= 0 USER MOD Single : B 34 THR OG1 : rot 89:sc= 0.969 USER MOD Single : B 37 SER OG : rot 180:sc= -0.372 USER MOD Single : B 39 THR OG1 : rot 74:sc= 0.615 USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 THR OG1 : rot -72:sc= 0.283 USER MOD Single : B 55 TYR OH : rot 79:sc= -1.41! USER MOD Single : B 60 THR OG1 : rot 80:sc= 1.35 USER MOD Single : B 62 THR OG1 : rot -75:sc= 1.19 USER MOD Single : B 63 THR OG1 : rot -12:sc= 1.13 USER MOD Single : B 67 THR OG1 : rot 152:sc= 0.998 USER MOD Single : B 72 THR OG1 : rot -74:sc= 1.98 USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 ASN : amide:sc= -0.493 K(o=-0.49,f=0.63) USER MOD Single : B 102 GLN : amide:sc= -0.28 K(o=-0.28,f=-3.4!) USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 108 SER OG : rot -41:sc= 0.116 USER MOD Single : B 109 ASN : amide:sc=-0.00641 K(o=-0.0064,f=-1.3!) USER MOD Single : B 204 MPD O2 : rot 180:sc= -0.55 USER MOD Single : B 204 MPD O4 : rot -25:sc= 0.114 USER MOD Single : B 205 MPD O2 : rot 180:sc= 0 USER MOD Single : B 205 MPD O4 : rot 180:sc= 0 USER MOD Single : B 206 MPD O2 : rot 180:sc= 0 USER MOD Single : B 206 MPD O4 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 24 15.484 35.974 -37.630 1.00 70.03 N ATOM 2 CA PHE A 24 15.515 36.792 -36.377 1.00 68.61 C ATOM 3 C PHE A 24 14.337 36.546 -35.450 1.00 71.51 C ATOM 4 O PHE A 24 14.530 36.390 -34.263 1.00 84.92 O ATOM 5 CB PHE A 24 15.613 38.293 -36.637 1.00 71.59 C ATOM 6 CG PHE A 24 15.724 39.090 -35.375 1.00 70.66 C ATOM 7 CD1 PHE A 24 14.635 39.780 -34.871 1.00 63.56 C ATOM 8 CD2 PHE A 24 16.908 39.083 -34.663 1.00 72.30 C ATOM 9 CE1 PHE A 24 14.729 40.473 -33.693 1.00 61.69 C ATOM 10 CE2 PHE A 24 17.017 39.780 -33.486 1.00 70.62 C ATOM 11 CZ PHE A 24 15.922 40.478 -32.998 1.00 68.88 C ATOM 0 HA PHE A 24 16.325 36.488 -35.938 1.00 68.61 H new ATOM 0 HB2 PHE A 24 16.385 38.471 -37.197 1.00 71.59 H new ATOM 0 HB3 PHE A 24 14.831 38.584 -37.131 1.00 71.59 H new ATOM 0 HD1 PHE A 24 13.830 39.773 -35.337 1.00 63.56 H new ATOM 0 HD2 PHE A 24 17.637 38.602 -34.984 1.00 72.30 H new ATOM 0 HE1 PHE A 24 13.994 40.937 -33.363 1.00 61.69 H new ATOM 0 HE2 PHE A 24 17.821 39.784 -33.018 1.00 70.62 H new ATOM 0 HZ PHE A 24 15.992 40.951 -32.200 1.00 68.88 H new ATOM 12 N GLN A 25 13.120 36.537 -35.981 1.00 77.00 N ATOM 13 CA GLN A 25 11.943 36.134 -35.205 1.00 77.66 C ATOM 14 C GLN A 25 12.150 34.710 -34.685 1.00 82.89 C ATOM 15 O GLN A 25 11.942 34.443 -33.495 1.00 86.76 O ATOM 16 CB GLN A 25 10.650 36.232 -36.037 1.00 72.76 C ATOM 0 H GLN A 25 12.949 36.761 -36.794 1.00 77.00 H new ATOM 0 HA GLN A 25 11.842 36.742 -34.456 1.00 77.66 H new ATOM 17 N VAL A 26 12.597 33.809 -35.563 1.00 78.99 N ATOM 18 CA VAL A 26 12.811 32.412 -35.177 1.00 76.46 C ATOM 19 C VAL A 26 13.911 32.327 -34.126 1.00 78.55 C ATOM 20 O VAL A 26 13.700 31.793 -33.016 1.00 79.66 O ATOM 21 CB VAL A 26 13.146 31.514 -36.392 1.00 71.52 C ATOM 22 CG1 VAL A 26 13.644 30.152 -35.950 1.00 64.27 C ATOM 23 CG2 VAL A 26 11.916 31.337 -37.252 1.00 69.48 C ATOM 0 H VAL A 26 12.782 33.986 -36.384 1.00 78.99 H new ATOM 0 HA VAL A 26 11.981 32.079 -34.801 1.00 76.46 H new ATOM 0 HB VAL A 26 13.848 31.950 -36.900 1.00 71.52 H new ATOM 0 HG11 VAL A 26 13.846 29.612 -36.730 1.00 64.27 H new ATOM 0 HG12 VAL A 26 14.446 30.258 -35.415 1.00 64.27 H new ATOM 0 HG13 VAL A 26 12.959 29.713 -35.422 1.00 64.27 H new ATOM 0 HG21 VAL A 26 12.131 30.774 -38.012 1.00 69.48 H new ATOM 0 HG22 VAL A 26 11.213 30.920 -36.730 1.00 69.48 H new ATOM 0 HG23 VAL A 26 11.614 32.203 -37.567 1.00 69.48 H new ATOM 24 N LEU A 27 15.077 32.864 -34.475 1.00 79.23 N ATOM 25 CA LEU A 27 16.211 32.873 -33.549 1.00 81.39 C ATOM 26 C LEU A 27 15.816 33.481 -32.229 1.00 71.52 C ATOM 27 O LEU A 27 16.138 32.931 -31.183 1.00 75.54 O ATOM 28 CB LEU A 27 17.414 33.610 -34.136 1.00 85.88 C ATOM 0 H LEU A 27 15.234 33.227 -35.239 1.00 79.23 H new ATOM 0 HA LEU A 27 16.473 31.951 -33.402 1.00 81.39 H new ATOM 29 N PHE A 28 15.086 34.588 -32.291 1.00 61.51 N ATOM 30 CA PHE A 28 14.528 35.197 -31.102 1.00 56.45 C ATOM 31 C PHE A 28 13.692 34.205 -30.307 1.00 56.54 C ATOM 32 O PHE A 28 13.841 34.130 -29.091 1.00 67.47 O ATOM 33 CB PHE A 28 13.720 36.433 -31.456 1.00 56.82 C ATOM 34 CG PHE A 28 13.415 37.300 -30.291 1.00 57.35 C ATOM 35 CD1 PHE A 28 13.947 38.576 -30.222 1.00 58.21 C ATOM 36 CD2 PHE A 28 12.596 36.841 -29.251 1.00 57.56 C ATOM 37 CE1 PHE A 28 13.676 39.372 -29.135 1.00 61.11 C ATOM 38 CE2 PHE A 28 12.324 37.630 -28.164 1.00 54.86 C ATOM 39 CZ PHE A 28 12.863 38.901 -28.106 1.00 58.45 C ATOM 0 H PHE A 28 14.903 35.003 -33.022 1.00 61.51 H new ATOM 0 HA PHE A 28 15.267 35.472 -30.537 1.00 56.45 H new ATOM 0 HB2 PHE A 28 14.208 36.951 -32.115 1.00 56.82 H new ATOM 0 HB3 PHE A 28 12.888 36.158 -31.871 1.00 56.82 H new ATOM 0 HD1 PHE A 28 14.487 38.894 -30.910 1.00 58.21 H new ATOM 0 HD2 PHE A 28 12.231 35.987 -29.299 1.00 57.56 H new ATOM 0 HE1 PHE A 28 14.036 40.228 -29.086 1.00 61.11 H new ATOM 0 HE2 PHE A 28 11.784 37.315 -27.475 1.00 54.86 H new ATOM 0 HZ PHE A 28 12.682 39.446 -27.375 1.00 58.45 H new ATOM 40 N VAL A 29 12.850 33.415 -30.967 1.00 59.49 N ATOM 41 CA VAL A 29 11.988 32.440 -30.245 1.00 54.64 C ATOM 42 C VAL A 29 12.759 31.307 -29.614 1.00 47.60 C ATOM 43 O VAL A 29 12.462 30.869 -28.502 1.00 49.51 O ATOM 44 CB VAL A 29 10.846 31.873 -31.135 1.00 55.98 C ATOM 45 CG1 VAL A 29 10.126 30.728 -30.448 1.00 52.54 C ATOM 46 CG2 VAL A 29 9.818 32.960 -31.449 1.00 58.72 C ATOM 0 H VAL A 29 12.753 33.417 -31.822 1.00 59.49 H new ATOM 0 HA VAL A 29 11.589 32.957 -29.528 1.00 54.64 H new ATOM 0 HB VAL A 29 11.258 31.553 -31.953 1.00 55.98 H new ATOM 0 HG11 VAL A 29 9.421 30.396 -31.026 1.00 52.54 H new ATOM 0 HG12 VAL A 29 10.756 30.014 -30.263 1.00 52.54 H new ATOM 0 HG13 VAL A 29 9.740 31.041 -29.615 1.00 52.54 H new ATOM 0 HG21 VAL A 29 9.114 32.589 -32.004 1.00 58.72 H new ATOM 0 HG22 VAL A 29 9.436 33.293 -30.622 1.00 58.72 H new ATOM 0 HG23 VAL A 29 10.251 33.689 -31.921 1.00 58.72 H new ATOM 47 N LEU A 30 13.742 30.810 -30.317 1.00 46.17 N ATOM 48 CA LEU A 30 14.504 29.713 -29.768 1.00 54.39 C ATOM 49 C LEU A 30 15.231 30.119 -28.492 1.00 54.73 C ATOM 50 O LEU A 30 15.167 29.431 -27.486 1.00 53.28 O ATOM 51 CB LEU A 30 15.501 29.217 -30.800 1.00 59.69 C ATOM 52 CG LEU A 30 14.774 28.478 -31.916 1.00 57.26 C ATOM 53 CD1 LEU A 30 15.579 28.542 -33.207 1.00 60.68 C ATOM 54 CD2 LEU A 30 14.511 27.045 -31.466 1.00 57.93 C ATOM 0 H LEU A 30 13.985 31.081 -31.096 1.00 46.17 H new ATOM 0 HA LEU A 30 13.886 29.000 -29.541 1.00 54.39 H new ATOM 0 HB2 LEU A 30 15.997 29.966 -31.167 1.00 59.69 H new ATOM 0 HB3 LEU A 30 16.147 28.628 -30.379 1.00 59.69 H new ATOM 0 HG LEU A 30 13.921 28.900 -32.100 1.00 57.26 H new ATOM 0 HD11 LEU A 30 15.105 28.068 -33.908 1.00 60.68 H new ATOM 0 HD12 LEU A 30 15.699 29.468 -33.468 1.00 60.68 H new ATOM 0 HD13 LEU A 30 16.446 28.130 -33.069 1.00 60.68 H new ATOM 0 HD21 LEU A 30 14.048 26.564 -32.170 1.00 57.93 H new ATOM 0 HD22 LEU A 30 15.354 26.605 -31.276 1.00 57.93 H new ATOM 0 HD23 LEU A 30 13.963 27.052 -30.666 1.00 57.93 H new ATOM 55 N THR A 31 15.920 31.251 -28.555 1.00 58.67 N ATOM 56 CA THR A 31 16.649 31.787 -27.405 1.00 51.11 C ATOM 57 C THR A 31 15.723 31.918 -26.210 1.00 50.44 C ATOM 58 O THR A 31 16.044 31.435 -25.150 1.00 57.90 O ATOM 59 CB THR A 31 17.284 33.132 -27.745 1.00 48.23 C ATOM 60 OG1 THR A 31 18.324 32.918 -28.710 1.00 45.63 O ATOM 61 CG2 THR A 31 17.872 33.789 -26.525 1.00 48.04 C ATOM 0 H THR A 31 15.980 31.733 -29.265 1.00 58.67 H new ATOM 0 HA THR A 31 17.361 31.168 -27.178 1.00 51.11 H new ATOM 0 HB THR A 31 16.596 33.717 -28.100 1.00 48.23 H new ATOM 0 HG1 THR A 31 17.989 32.881 -29.479 1.00 45.63 H new ATOM 0 HG21 THR A 31 18.267 34.639 -26.774 1.00 48.04 H new ATOM 0 HG22 THR A 31 17.173 33.937 -25.868 1.00 48.04 H new ATOM 0 HG23 THR A 31 18.555 33.215 -26.145 1.00 48.04 H new ATOM 62 N ILE A 32 14.557 32.516 -26.399 1.00 49.22 N ATOM 63 CA ILE A 32 13.611 32.703 -25.307 1.00 48.39 C ATOM 64 C ILE A 32 13.168 31.356 -24.720 1.00 50.62 C ATOM 65 O ILE A 32 13.075 31.205 -23.490 1.00 49.50 O ATOM 66 CB ILE A 32 12.355 33.472 -25.752 1.00 50.64 C ATOM 67 CG1 ILE A 32 12.708 34.847 -26.316 1.00 56.64 C ATOM 68 CG2 ILE A 32 11.365 33.604 -24.592 1.00 50.53 C ATOM 69 CD1 ILE A 32 12.983 35.900 -25.272 1.00 62.50 C ATOM 0 H ILE A 32 14.291 32.823 -27.157 1.00 49.22 H new ATOM 0 HA ILE A 32 14.078 33.222 -24.634 1.00 48.39 H new ATOM 0 HB ILE A 32 11.935 32.962 -26.462 1.00 50.64 H new ATOM 0 HG12 ILE A 32 13.489 34.760 -26.885 1.00 56.64 H new ATOM 0 HG13 ILE A 32 11.979 35.150 -26.880 1.00 56.64 H new ATOM 0 HG21 ILE A 32 10.580 34.091 -24.890 1.00 50.53 H new ATOM 0 HG22 ILE A 32 11.102 32.721 -24.289 1.00 50.53 H new ATOM 0 HG23 ILE A 32 11.785 34.084 -23.861 1.00 50.53 H new ATOM 0 HD11 ILE A 32 13.198 36.739 -25.708 1.00 62.50 H new ATOM 0 HD12 ILE A 32 12.197 36.017 -24.715 1.00 62.50 H new ATOM 0 HD13 ILE A 32 13.731 35.622 -24.720 1.00 62.50 H new ATOM 70 N LEU A 33 12.850 30.393 -25.591 1.00 53.00 N ATOM 71 CA LEU A 33 12.432 29.063 -25.135 1.00 48.61 C ATOM 72 C LEU A 33 13.582 28.389 -24.396 1.00 48.59 C ATOM 73 O LEU A 33 13.372 27.712 -23.391 1.00 45.31 O ATOM 74 CB LEU A 33 11.895 28.180 -26.284 1.00 49.98 C ATOM 0 H LEU A 33 12.870 30.489 -26.445 1.00 53.00 H new ATOM 0 HA LEU A 33 11.688 29.178 -24.523 1.00 48.61 H new ATOM 75 N THR A 34 14.808 28.626 -24.858 1.00 51.30 N ATOM 76 CA THR A 34 15.987 28.054 -24.216 1.00 45.51 C ATOM 77 C THR A 34 16.208 28.636 -22.826 1.00 38.42 C ATOM 78 O THR A 34 16.501 27.888 -21.900 1.00 36.55 O ATOM 79 CB THR A 34 17.218 28.281 -25.072 1.00 48.45 C ATOM 80 OG1 THR A 34 16.896 27.911 -26.406 1.00 53.02 O ATOM 81 CG2 THR A 34 18.345 27.403 -24.590 1.00 53.39 C ATOM 0 H THR A 34 14.978 29.117 -25.544 1.00 51.30 H new ATOM 0 HA THR A 34 15.833 27.101 -24.121 1.00 45.51 H new ATOM 0 HB THR A 34 17.490 29.211 -25.021 1.00 48.45 H new ATOM 0 HG1 THR A 34 16.602 28.580 -26.819 1.00 53.02 H new ATOM 0 HG21 THR A 34 19.130 27.552 -25.141 1.00 53.39 H new ATOM 0 HG22 THR A 34 18.552 27.619 -23.667 1.00 53.39 H new ATOM 0 HG23 THR A 34 18.079 26.472 -24.652 1.00 53.39 H new ATOM 82 N LEU A 35 16.008 29.950 -22.681 1.00 33.54 N ATOM 83 CA LEU A 35 16.154 30.646 -21.374 1.00 31.61 C ATOM 84 C LEU A 35 15.051 30.303 -20.398 1.00 33.00 C ATOM 85 O LEU A 35 15.299 30.153 -19.198 1.00 30.23 O ATOM 86 CB LEU A 35 16.252 32.160 -21.521 1.00 29.63 C ATOM 87 CG LEU A 35 17.441 32.641 -22.357 1.00 28.27 C ATOM 88 CD1 LEU A 35 17.354 34.131 -22.618 1.00 29.43 C ATOM 89 CD2 LEU A 35 18.771 32.278 -21.739 1.00 27.13 C ATOM 0 H LEU A 35 15.785 30.469 -23.329 1.00 33.54 H new ATOM 0 HA LEU A 35 16.992 30.318 -21.012 1.00 31.61 H new ATOM 0 HB2 LEU A 35 15.433 32.488 -21.925 1.00 29.63 H new ATOM 0 HB3 LEU A 35 16.311 32.556 -20.638 1.00 29.63 H new ATOM 0 HG LEU A 35 17.391 32.176 -23.207 1.00 28.27 H new ATOM 0 HD11 LEU A 35 18.116 34.412 -23.148 1.00 29.43 H new ATOM 0 HD12 LEU A 35 16.535 34.328 -23.100 1.00 29.43 H new ATOM 0 HD13 LEU A 35 17.355 34.608 -21.774 1.00 29.43 H new ATOM 0 HD21 LEU A 35 19.490 32.603 -22.303 1.00 27.13 H new ATOM 0 HD22 LEU A 35 18.841 32.684 -20.861 1.00 27.13 H new ATOM 0 HD23 LEU A 35 18.837 31.314 -21.655 1.00 27.13 H new ATOM 90 N ILE A 36 13.841 30.075 -20.933 1.00 39.49 N ATOM 91 CA ILE A 36 12.705 29.593 -20.125 1.00 34.25 C ATOM 92 C ILE A 36 12.972 28.217 -19.602 1.00 32.20 C ATOM 93 O ILE A 36 12.759 27.977 -18.415 1.00 35.33 O ATOM 94 CB ILE A 36 11.333 29.665 -20.859 1.00 38.36 C ATOM 95 CG1 ILE A 36 10.901 31.139 -21.005 1.00 38.18 C ATOM 96 CG2 ILE A 36 10.259 28.875 -20.089 1.00 35.90 C ATOM 97 CD1 ILE A 36 10.032 31.449 -22.213 1.00 37.63 C ATOM 0 H ILE A 36 13.657 30.194 -21.765 1.00 39.49 H new ATOM 0 HA ILE A 36 12.629 30.205 -19.376 1.00 34.25 H new ATOM 0 HB ILE A 36 11.430 29.268 -21.739 1.00 38.36 H new ATOM 0 HG12 ILE A 36 10.420 31.400 -20.204 1.00 38.18 H new ATOM 0 HG13 ILE A 36 11.698 31.691 -21.049 1.00 38.18 H new ATOM 0 HG21 ILE A 36 9.414 28.932 -20.562 1.00 35.90 H new ATOM 0 HG22 ILE A 36 10.528 27.946 -20.020 1.00 35.90 H new ATOM 0 HG23 ILE A 36 10.158 29.249 -19.200 1.00 35.90 H new ATOM 0 HD11 ILE A 36 9.812 32.394 -22.220 1.00 37.63 H new ATOM 0 HD12 ILE A 36 10.513 31.223 -23.024 1.00 37.63 H new ATOM 0 HD13 ILE A 36 9.215 30.928 -22.167 1.00 37.63 H new ATOM 98 N SER A 37 13.453 27.302 -20.446 1.00 30.53 N ATOM 99 CA SER A 37 13.845 26.007 -19.924 1.00 30.07 C ATOM 100 C SER A 37 14.862 26.099 -18.798 1.00 29.15 C ATOM 101 O SER A 37 14.691 25.454 -17.759 1.00 28.58 O ATOM 102 CB SER A 37 14.413 25.093 -20.983 1.00 32.69 C ATOM 103 OG SER A 37 14.683 23.838 -20.357 1.00 38.62 O ATOM 0 H SER A 37 13.555 27.410 -21.293 1.00 30.53 H new ATOM 0 HA SER A 37 13.017 25.635 -19.582 1.00 30.07 H new ATOM 0 HB2 SER A 37 13.784 24.983 -21.713 1.00 32.69 H new ATOM 0 HB3 SER A 37 15.224 25.469 -21.361 1.00 32.69 H new ATOM 0 HG SER A 37 15.000 23.305 -20.923 1.00 38.62 H new ATOM 104 N GLY A 38 15.933 26.866 -19.030 1.00 26.48 N ATOM 105 CA GLY A 38 16.946 27.027 -18.043 1.00 24.18 C ATOM 106 C GLY A 38 16.312 27.587 -16.783 1.00 22.51 C ATOM 107 O GLY A 38 16.618 27.126 -15.671 1.00 21.10 O ATOM 0 H GLY A 38 16.073 27.295 -19.762 1.00 26.48 H new ATOM 0 HA2 GLY A 38 17.371 26.176 -17.856 1.00 24.18 H new ATOM 0 HA3 GLY A 38 17.638 27.625 -18.366 1.00 24.18 H new ATOM 108 N THR A 39 15.437 28.569 -16.932 1.00 21.39 N ATOM 109 CA THR A 39 14.873 29.211 -15.763 1.00 24.64 C ATOM 110 C THR A 39 14.040 28.270 -14.907 1.00 28.23 C ATOM 111 O THR A 39 14.135 28.263 -13.679 1.00 28.11 O ATOM 112 CB THR A 39 13.985 30.363 -16.169 1.00 30.14 C ATOM 113 OG1 THR A 39 14.799 31.376 -16.754 1.00 32.06 O ATOM 114 CG2 THR A 39 13.228 30.980 -14.954 1.00 31.43 C ATOM 0 H THR A 39 15.162 28.873 -17.688 1.00 21.39 H new ATOM 0 HA THR A 39 15.632 29.515 -15.241 1.00 24.64 H new ATOM 0 HB THR A 39 13.325 30.026 -16.794 1.00 30.14 H new ATOM 0 HG1 THR A 39 15.035 31.136 -17.524 1.00 32.06 H new ATOM 0 HG21 THR A 39 12.671 31.714 -15.258 1.00 31.43 H new ATOM 0 HG22 THR A 39 12.671 30.302 -14.541 1.00 31.43 H new ATOM 0 HG23 THR A 39 13.870 31.309 -14.306 1.00 31.43 H new ATOM 115 N ILE A 40 13.211 27.460 -15.576 1.00 30.98 N ATOM 116 CA ILE A 40 12.436 26.416 -14.939 1.00 29.87 C ATOM 117 C ILE A 40 13.416 25.430 -14.219 1.00 29.92 C ATOM 118 O ILE A 40 13.318 25.196 -12.999 1.00 29.19 O ATOM 119 CB ILE A 40 11.519 25.740 -15.997 1.00 30.67 C ATOM 120 CG1 ILE A 40 10.400 26.688 -16.410 1.00 30.98 C ATOM 121 CG2 ILE A 40 10.885 24.487 -15.459 1.00 29.85 C ATOM 122 CD1 ILE A 40 9.647 26.234 -17.639 1.00 32.00 C ATOM 0 H ILE A 40 13.088 27.511 -16.426 1.00 30.98 H new ATOM 0 HA ILE A 40 11.845 26.771 -14.256 1.00 29.87 H new ATOM 0 HB ILE A 40 12.080 25.518 -16.757 1.00 30.67 H new ATOM 0 HG12 ILE A 40 9.776 26.781 -15.673 1.00 30.98 H new ATOM 0 HG13 ILE A 40 10.775 27.567 -16.576 1.00 30.98 H new ATOM 0 HG21 ILE A 40 10.321 24.091 -16.141 1.00 29.85 H new ATOM 0 HG22 ILE A 40 11.577 23.857 -15.206 1.00 29.85 H new ATOM 0 HG23 ILE A 40 10.347 24.704 -14.682 1.00 29.85 H new ATOM 0 HD11 ILE A 40 8.952 26.877 -17.849 1.00 32.00 H new ATOM 0 HD12 ILE A 40 10.260 26.166 -18.388 1.00 32.00 H new ATOM 0 HD13 ILE A 40 9.245 25.367 -17.471 1.00 32.00 H new ATOM 123 N PHE A 41 14.405 24.921 -14.959 1.00 28.17 N ATOM 124 CA PHE A 41 15.384 24.019 -14.353 1.00 27.02 C ATOM 125 C PHE A 41 16.055 24.562 -13.082 1.00 26.16 C ATOM 126 O PHE A 41 16.083 23.870 -12.047 1.00 24.43 O ATOM 127 CB PHE A 41 16.472 23.565 -15.323 1.00 26.99 C ATOM 128 CG PHE A 41 17.405 22.605 -14.695 1.00 27.60 C ATOM 129 CD1 PHE A 41 17.136 21.230 -14.753 1.00 27.46 C ATOM 130 CD2 PHE A 41 18.490 23.061 -13.901 1.00 25.85 C ATOM 131 CE1 PHE A 41 17.962 20.317 -14.087 1.00 26.50 C ATOM 132 CE2 PHE A 41 19.294 22.153 -13.210 1.00 26.16 C ATOM 133 CZ PHE A 41 19.025 20.775 -13.306 1.00 27.72 C ATOM 0 H PHE A 41 14.524 25.082 -15.795 1.00 28.17 H new ATOM 0 HA PHE A 41 14.840 23.257 -14.101 1.00 27.02 H new ATOM 0 HB2 PHE A 41 16.061 23.155 -16.100 1.00 26.99 H new ATOM 0 HB3 PHE A 41 16.967 24.338 -15.638 1.00 26.99 H new ATOM 0 HD1 PHE A 41 16.404 20.923 -15.237 1.00 27.46 H new ATOM 0 HD2 PHE A 41 18.667 23.972 -13.841 1.00 25.85 H new ATOM 0 HE1 PHE A 41 17.803 19.404 -14.165 1.00 26.50 H new ATOM 0 HE2 PHE A 41 20.003 22.457 -12.690 1.00 26.16 H new ATOM 0 HZ PHE A 41 19.558 20.166 -12.847 1.00 27.72 H new ATOM 134 N TYR A 42 16.625 25.763 -13.148 1.00 24.12 N ATOM 135 CA TYR A 42 17.414 26.221 -12.014 1.00 24.56 C ATOM 136 C TYR A 42 16.584 26.618 -10.797 1.00 26.43 C ATOM 137 O TYR A 42 17.013 26.353 -9.660 1.00 26.29 O ATOM 138 CB TYR A 42 18.390 27.301 -12.434 1.00 23.83 C ATOM 139 CG TYR A 42 19.444 26.776 -13.397 1.00 21.39 C ATOM 140 CD1 TYR A 42 19.438 27.132 -14.745 1.00 21.24 C ATOM 141 CD2 TYR A 42 20.432 25.961 -12.960 1.00 21.08 C ATOM 142 CE1 TYR A 42 20.400 26.693 -15.620 1.00 20.60 C ATOM 143 CE2 TYR A 42 21.394 25.474 -13.827 1.00 20.19 C ATOM 144 CZ TYR A 42 21.386 25.859 -15.157 1.00 20.30 C ATOM 145 OH TYR A 42 22.345 25.360 -16.012 1.00 20.44 O ATOM 0 H TYR A 42 16.570 26.307 -13.812 1.00 24.12 H new ATOM 0 HA TYR A 42 17.928 25.455 -11.713 1.00 24.56 H new ATOM 0 HB2 TYR A 42 17.905 28.029 -12.853 1.00 23.83 H new ATOM 0 HB3 TYR A 42 18.825 27.666 -11.648 1.00 23.83 H new ATOM 0 HD1 TYR A 42 18.760 27.685 -15.061 1.00 21.24 H new ATOM 0 HD2 TYR A 42 20.465 25.724 -12.061 1.00 21.08 H new ATOM 0 HE1 TYR A 42 20.384 26.956 -16.512 1.00 20.60 H new ATOM 0 HE2 TYR A 42 22.046 24.888 -13.516 1.00 20.19 H new ATOM 0 HH TYR A 42 22.899 24.903 -15.576 1.00 20.44 H new ATOM 146 N SER A 43 15.397 27.204 -11.007 1.00 28.16 N ATOM 147 CA SER A 43 14.496 27.472 -9.858 1.00 30.50 C ATOM 148 C SER A 43 14.107 26.200 -9.133 1.00 31.67 C ATOM 149 O SER A 43 14.151 26.169 -7.921 1.00 31.27 O ATOM 150 CB SER A 43 13.244 28.291 -10.169 1.00 30.39 C ATOM 151 OG SER A 43 12.785 27.880 -11.407 1.00 35.99 O ATOM 0 H SER A 43 15.097 27.449 -11.775 1.00 28.16 H new ATOM 0 HA SER A 43 15.039 28.032 -9.281 1.00 30.50 H new ATOM 0 HB2 SER A 43 12.566 28.152 -9.489 1.00 30.39 H new ATOM 0 HB3 SER A 43 13.448 29.239 -10.177 1.00 30.39 H new ATOM 0 HG SER A 43 13.247 28.239 -12.010 1.00 35.99 H new ATOM 152 N THR A 44 13.772 25.134 -9.848 1.00 32.54 N ATOM 153 CA THR A 44 13.363 23.911 -9.141 1.00 33.95 C ATOM 154 C THR A 44 14.537 23.078 -8.551 1.00 34.21 C ATOM 155 O THR A 44 14.524 22.732 -7.370 1.00 31.51 O ATOM 156 CB THR A 44 12.411 23.061 -10.011 1.00 39.40 C ATOM 157 OG1 THR A 44 13.019 22.808 -11.266 1.00 46.90 O ATOM 158 CG2 THR A 44 11.112 23.810 -10.292 1.00 38.43 C ATOM 0 H THR A 44 13.771 25.089 -10.707 1.00 32.54 H new ATOM 0 HA THR A 44 12.873 24.210 -8.359 1.00 33.95 H new ATOM 0 HB THR A 44 12.226 22.240 -9.529 1.00 39.40 H new ATOM 0 HG1 THR A 44 12.960 23.492 -11.749 1.00 46.90 H new ATOM 0 HG21 THR A 44 10.532 23.258 -10.839 1.00 38.43 H new ATOM 0 HG22 THR A 44 10.668 24.014 -9.454 1.00 38.43 H new ATOM 0 HG23 THR A 44 11.309 24.635 -10.762 1.00 38.43 H new ATOM 159 N VAL A 45 15.576 22.799 -9.343 1.00 34.00 N ATOM 160 CA VAL A 45 16.618 21.876 -8.904 1.00 34.15 C ATOM 161 C VAL A 45 17.656 22.556 -8.034 1.00 36.50 C ATOM 162 O VAL A 45 18.182 21.957 -7.123 1.00 35.93 O ATOM 163 CB VAL A 45 17.273 21.162 -10.103 1.00 34.36 C ATOM 164 CG1 VAL A 45 18.508 20.400 -9.674 1.00 35.18 C ATOM 165 CG2 VAL A 45 16.288 20.199 -10.750 1.00 35.44 C ATOM 0 H VAL A 45 15.693 23.130 -10.128 1.00 34.00 H new ATOM 0 HA VAL A 45 16.187 21.203 -8.355 1.00 34.15 H new ATOM 0 HB VAL A 45 17.531 21.842 -10.745 1.00 34.36 H new ATOM 0 HG11 VAL A 45 18.901 19.960 -10.444 1.00 35.18 H new ATOM 0 HG12 VAL A 45 19.152 21.016 -9.290 1.00 35.18 H new ATOM 0 HG13 VAL A 45 18.264 19.734 -9.012 1.00 35.18 H new ATOM 0 HG21 VAL A 45 16.713 19.758 -11.502 1.00 35.44 H new ATOM 0 HG22 VAL A 45 16.010 19.535 -10.100 1.00 35.44 H new ATOM 0 HG23 VAL A 45 15.512 20.690 -11.061 1.00 35.44 H new ATOM 166 N GLU A 46 17.970 23.811 -8.334 1.00 41.14 N ATOM 167 CA GLU A 46 18.955 24.569 -7.550 1.00 37.51 C ATOM 168 C GLU A 46 18.295 25.482 -6.505 1.00 36.81 C ATOM 169 O GLU A 46 18.982 26.032 -5.642 1.00 37.36 O ATOM 170 CB GLU A 46 19.865 25.379 -8.479 1.00 37.76 C ATOM 171 CG GLU A 46 20.788 24.563 -9.387 1.00 36.75 C ATOM 172 CD GLU A 46 21.997 23.978 -8.700 1.00 37.01 C ATOM 173 OE1 GLU A 46 22.590 24.622 -7.793 1.00 41.67 O ATOM 174 OE2 GLU A 46 22.366 22.850 -9.095 1.00 35.84 O ATOM 0 H GLU A 46 17.625 24.248 -8.989 1.00 41.14 H new ATOM 0 HA GLU A 46 19.492 23.925 -7.062 1.00 37.51 H new ATOM 0 HB2 GLU A 46 19.308 25.944 -9.037 1.00 37.76 H new ATOM 0 HB3 GLU A 46 20.412 25.967 -7.935 1.00 37.76 H new ATOM 0 HG2 GLU A 46 20.275 23.841 -9.783 1.00 36.75 H new ATOM 0 HG3 GLU A 46 21.088 25.130 -10.115 1.00 36.75 H new ATOM 175 N GLY A 47 16.974 25.635 -6.584 1.00 35.02 N ATOM 176 CA GLY A 47 16.233 26.391 -5.587 1.00 37.34 C ATOM 177 C GLY A 47 16.309 27.910 -5.679 1.00 38.50 C ATOM 178 O GLY A 47 16.196 28.605 -4.674 1.00 41.88 O ATOM 0 H GLY A 47 16.489 25.305 -7.213 1.00 35.02 H new ATOM 0 HA2 GLY A 47 15.300 26.131 -5.643 1.00 37.34 H new ATOM 0 HA3 GLY A 47 16.550 26.125 -4.709 1.00 37.34 H new ATOM 179 N LEU A 48 16.430 28.426 -6.898 1.00 37.05 N ATOM 180 CA LEU A 48 16.652 29.846 -7.151 1.00 31.63 C ATOM 181 C LEU A 48 15.332 30.511 -7.422 1.00 29.21 C ATOM 182 O LEU A 48 14.422 29.893 -7.900 1.00 30.68 O ATOM 183 CB LEU A 48 17.608 30.018 -8.354 1.00 30.48 C ATOM 184 CG LEU A 48 18.960 29.272 -8.320 1.00 29.15 C ATOM 185 CD1 LEU A 48 19.915 29.688 -9.444 1.00 27.23 C ATOM 186 CD2 LEU A 48 19.652 29.486 -6.986 1.00 30.09 C ATOM 0 H LEU A 48 16.385 27.952 -7.614 1.00 37.05 H new ATOM 0 HA LEU A 48 17.060 30.261 -6.375 1.00 31.63 H new ATOM 0 HB2 LEU A 48 17.134 29.737 -9.152 1.00 30.48 H new ATOM 0 HB3 LEU A 48 17.794 30.965 -8.453 1.00 30.48 H new ATOM 0 HG LEU A 48 18.747 28.335 -8.449 1.00 29.15 H new ATOM 0 HD11 LEU A 48 20.742 29.187 -9.368 1.00 27.23 H new ATOM 0 HD12 LEU A 48 19.504 29.504 -10.303 1.00 27.23 H new ATOM 0 HD13 LEU A 48 20.105 30.637 -9.373 1.00 27.23 H new ATOM 0 HD21 LEU A 48 20.498 29.012 -6.980 1.00 30.09 H new ATOM 0 HD22 LEU A 48 19.812 30.433 -6.852 1.00 30.09 H new ATOM 0 HD23 LEU A 48 19.089 29.150 -6.271 1.00 30.09 H new ATOM 187 N ARG A 49 15.235 31.788 -7.114 1.00 31.84 N ATOM 188 CA ARG A 49 14.078 32.578 -7.497 1.00 33.41 C ATOM 189 C ARG A 49 14.078 32.682 -9.048 1.00 32.40 C ATOM 190 O ARG A 49 15.120 32.728 -9.674 1.00 34.21 O ATOM 191 CB ARG A 49 14.139 33.995 -6.852 1.00 37.11 C ATOM 192 CG ARG A 49 14.448 34.068 -5.338 1.00 37.87 C ATOM 193 CD ARG A 49 15.067 35.417 -4.926 1.00 39.31 C ATOM 194 NE ARG A 49 14.304 36.518 -5.497 1.00 40.45 N ATOM 195 CZ ARG A 49 14.767 37.523 -6.251 1.00 39.27 C ATOM 196 NH1 ARG A 49 16.048 37.683 -6.550 1.00 37.10 N ATOM 197 NH2 ARG A 49 13.893 38.404 -6.708 1.00 43.01 N ATOM 0 H ARG A 49 15.835 32.224 -6.678 1.00 31.84 H new ATOM 0 HA ARG A 49 13.262 32.156 -7.185 1.00 33.41 H new ATOM 0 HB2 ARG A 49 14.813 34.511 -7.322 1.00 37.11 H new ATOM 0 HB3 ARG A 49 13.287 34.433 -7.007 1.00 37.11 H new ATOM 0 HG2 ARG A 49 13.630 33.924 -4.837 1.00 37.87 H new ATOM 0 HG3 ARG A 49 15.056 33.351 -5.100 1.00 37.87 H new ATOM 0 HD2 ARG A 49 15.081 35.492 -3.959 1.00 39.31 H new ATOM 0 HD3 ARG A 49 15.988 35.463 -5.227 1.00 39.31 H new ATOM 0 HE ARG A 49 13.460 36.523 -5.331 1.00 40.45 H new ATOM 0 HH11 ARG A 49 16.631 37.124 -6.255 1.00 37.10 H new ATOM 0 HH12 ARG A 49 16.296 38.346 -7.039 1.00 37.10 H new ATOM 0 HH21 ARG A 49 13.058 38.320 -6.518 1.00 43.01 H new ATOM 0 HH22 ARG A 49 14.159 39.061 -7.195 1.00 43.01 H new ATOM 198 N PRO A 50 12.918 32.707 -9.678 1.00 31.16 N ATOM 199 CA PRO A 50 12.915 32.837 -11.115 1.00 30.75 C ATOM 200 C PRO A 50 13.951 33.737 -11.730 1.00 29.05 C ATOM 201 O PRO A 50 14.637 33.323 -12.662 1.00 31.57 O ATOM 202 CB PRO A 50 11.520 33.360 -11.369 1.00 31.70 C ATOM 203 CG PRO A 50 10.730 32.530 -10.414 1.00 30.93 C ATOM 204 CD PRO A 50 11.594 32.300 -9.195 1.00 30.03 C ATOM 0 HA PRO A 50 13.145 31.991 -11.530 1.00 30.75 H new ATOM 0 HB2 PRO A 50 11.443 34.309 -11.182 1.00 31.70 H new ATOM 0 HB3 PRO A 50 11.240 33.229 -12.288 1.00 31.70 H new ATOM 0 HG2 PRO A 50 9.907 32.981 -10.169 1.00 30.93 H new ATOM 0 HG3 PRO A 50 10.481 31.685 -10.821 1.00 30.93 H new ATOM 0 HD2 PRO A 50 11.304 32.833 -8.439 1.00 30.03 H new ATOM 0 HD3 PRO A 50 11.581 31.373 -8.910 1.00 30.03 H new ATOM 205 N ILE A 51 14.099 34.943 -11.201 1.00 29.74 N ATOM 206 CA ILE A 51 14.945 35.973 -11.826 1.00 27.24 C ATOM 207 C ILE A 51 16.402 35.585 -11.772 1.00 25.71 C ATOM 208 O ILE A 51 17.123 35.822 -12.715 1.00 24.34 O ATOM 209 CB ILE A 51 14.728 37.366 -11.193 1.00 29.92 C ATOM 210 CG1 ILE A 51 15.609 38.429 -11.835 1.00 35.10 C ATOM 211 CG2 ILE A 51 15.086 37.418 -9.729 1.00 31.76 C ATOM 212 CD1 ILE A 51 15.414 38.559 -13.331 1.00 40.94 C ATOM 0 H ILE A 51 13.717 35.195 -10.473 1.00 29.74 H new ATOM 0 HA ILE A 51 14.677 36.032 -12.756 1.00 27.24 H new ATOM 0 HB ILE A 51 13.782 37.533 -11.331 1.00 29.92 H new ATOM 0 HG12 ILE A 51 15.426 39.285 -11.417 1.00 35.10 H new ATOM 0 HG13 ILE A 51 16.539 38.219 -11.655 1.00 35.10 H new ATOM 0 HG21 ILE A 51 14.930 38.313 -9.389 1.00 31.76 H new ATOM 0 HG22 ILE A 51 14.537 36.786 -9.239 1.00 31.76 H new ATOM 0 HG23 ILE A 51 16.022 37.189 -9.616 1.00 31.76 H new ATOM 0 HD11 ILE A 51 16.002 39.250 -13.675 1.00 40.94 H new ATOM 0 HD12 ILE A 51 15.623 37.714 -13.759 1.00 40.94 H new ATOM 0 HD13 ILE A 51 14.492 38.797 -13.518 1.00 40.94 H new ATOM 213 N ASP A 52 16.834 35.009 -10.655 1.00 25.55 N ATOM 214 CA ASP A 52 18.207 34.538 -10.492 1.00 26.47 C ATOM 215 C ASP A 52 18.507 33.330 -11.370 1.00 27.14 C ATOM 216 O ASP A 52 19.674 33.064 -11.684 1.00 28.28 O ATOM 217 CB ASP A 52 18.443 34.089 -9.059 1.00 27.75 C ATOM 218 CG ASP A 52 18.528 35.200 -8.089 1.00 30.08 C ATOM 219 OD1 ASP A 52 18.968 36.314 -8.475 1.00 31.60 O ATOM 220 OD2 ASP A 52 18.208 34.926 -6.903 1.00 32.56 O ATOM 0 H ASP A 52 16.336 34.879 -9.966 1.00 25.55 H new ATOM 0 HA ASP A 52 18.778 35.282 -10.739 1.00 26.47 H new ATOM 0 HB2 ASP A 52 17.724 33.494 -8.793 1.00 27.75 H new ATOM 0 HB3 ASP A 52 19.265 33.575 -9.022 1.00 27.75 H new ATOM 221 N ALA A 53 17.474 32.551 -11.687 1.00 25.21 N ATOM 222 CA ALA A 53 17.609 31.362 -12.539 1.00 26.01 C ATOM 223 C ALA A 53 17.673 31.749 -14.001 1.00 26.36 C ATOM 224 O ALA A 53 18.379 31.122 -14.777 1.00 30.96 O ATOM 225 CB ALA A 53 16.447 30.414 -12.325 1.00 26.63 C ATOM 0 H ALA A 53 16.671 32.695 -11.415 1.00 25.21 H new ATOM 0 HA ALA A 53 18.435 30.918 -12.292 1.00 26.01 H new ATOM 0 HB1 ALA A 53 16.554 29.637 -12.895 1.00 26.63 H new ATOM 0 HB2 ALA A 53 16.425 30.133 -11.397 1.00 26.63 H new ATOM 0 HB3 ALA A 53 15.617 30.864 -12.546 1.00 26.63 H new ATOM 226 N LEU A 54 16.920 32.752 -14.403 1.00 24.82 N ATOM 227 CA LEU A 54 17.088 33.294 -15.743 1.00 24.55 C ATOM 228 C LEU A 54 18.516 33.892 -15.893 1.00 26.69 C ATOM 229 O LEU A 54 19.150 33.778 -16.946 1.00 29.20 O ATOM 230 CB LEU A 54 15.979 34.336 -16.043 1.00 21.11 C ATOM 231 CG LEU A 54 16.192 35.212 -17.261 1.00 20.36 C ATOM 232 CD1 LEU A 54 16.187 34.449 -18.536 1.00 20.13 C ATOM 233 CD2 LEU A 54 15.093 36.210 -17.297 1.00 22.26 C ATOM 0 H LEU A 54 16.313 33.132 -13.927 1.00 24.82 H new ATOM 0 HA LEU A 54 16.997 32.584 -16.398 1.00 24.55 H new ATOM 0 HB2 LEU A 54 15.139 33.864 -16.151 1.00 21.11 H new ATOM 0 HB3 LEU A 54 15.884 34.911 -15.268 1.00 21.11 H new ATOM 0 HG LEU A 54 17.066 35.627 -17.183 1.00 20.36 H new ATOM 0 HD11 LEU A 54 16.327 35.058 -19.278 1.00 20.13 H new ATOM 0 HD12 LEU A 54 16.898 33.789 -18.521 1.00 20.13 H new ATOM 0 HD13 LEU A 54 15.333 34.001 -18.642 1.00 20.13 H new ATOM 0 HD21 LEU A 54 15.204 36.786 -18.069 1.00 22.26 H new ATOM 0 HD22 LEU A 54 14.241 35.751 -17.357 1.00 22.26 H new ATOM 0 HD23 LEU A 54 15.115 36.746 -16.489 1.00 22.26 H new ATOM 234 N TYR A 55 18.997 34.553 -14.835 1.00 26.00 N ATOM 235 CA TYR A 55 20.268 35.236 -14.880 1.00 23.10 C ATOM 236 C TYR A 55 21.335 34.213 -15.060 1.00 23.80 C ATOM 237 O TYR A 55 22.099 34.308 -15.996 1.00 24.75 O ATOM 238 CB TYR A 55 20.506 36.088 -13.632 1.00 23.01 C ATOM 239 CG TYR A 55 21.791 36.896 -13.731 1.00 22.59 C ATOM 240 CD1 TYR A 55 22.952 36.449 -13.128 1.00 22.27 C ATOM 241 CD2 TYR A 55 21.846 38.098 -14.452 1.00 23.92 C ATOM 242 CE1 TYR A 55 24.127 37.155 -13.214 1.00 22.19 C ATOM 243 CE2 TYR A 55 23.029 38.837 -14.542 1.00 23.71 C ATOM 244 CZ TYR A 55 24.159 38.346 -13.907 1.00 25.04 C ATOM 245 OH TYR A 55 25.333 39.011 -13.950 1.00 24.93 O ATOM 0 H TYR A 55 18.589 34.611 -14.080 1.00 26.00 H new ATOM 0 HA TYR A 55 20.277 35.856 -15.626 1.00 23.10 H new ATOM 0 HB2 TYR A 55 19.756 36.689 -13.504 1.00 23.01 H new ATOM 0 HB3 TYR A 55 20.545 35.513 -12.852 1.00 23.01 H new ATOM 0 HD1 TYR A 55 22.937 35.650 -12.652 1.00 22.27 H new ATOM 0 HD2 TYR A 55 21.080 38.409 -14.878 1.00 23.92 H new ATOM 0 HE1 TYR A 55 24.898 36.831 -12.806 1.00 22.19 H new ATOM 0 HE2 TYR A 55 23.057 39.637 -15.015 1.00 23.71 H new ATOM 0 HH TYR A 55 25.842 38.645 -14.509 1.00 24.93 H new ATOM 246 N PHE A 56 21.356 33.204 -14.194 1.00 24.66 N ATOM 247 CA PHE A 56 22.255 32.068 -14.334 1.00 24.66 C ATOM 248 C PHE A 56 22.255 31.466 -15.721 1.00 22.85 C ATOM 249 O PHE A 56 23.307 31.131 -16.255 1.00 25.06 O ATOM 250 CB PHE A 56 21.945 30.982 -13.315 1.00 26.03 C ATOM 251 CG PHE A 56 23.003 29.928 -13.239 1.00 30.31 C ATOM 252 CD1 PHE A 56 24.095 30.073 -12.386 1.00 34.71 C ATOM 253 CD2 PHE A 56 22.953 28.807 -14.051 1.00 35.26 C ATOM 254 CE1 PHE A 56 25.108 29.114 -12.338 1.00 36.23 C ATOM 255 CE2 PHE A 56 23.954 27.829 -13.985 1.00 36.16 C ATOM 256 CZ PHE A 56 25.024 27.980 -13.122 1.00 36.33 C ATOM 0 H PHE A 56 20.844 33.161 -13.504 1.00 24.66 H new ATOM 0 HA PHE A 56 23.142 32.426 -14.171 1.00 24.66 H new ATOM 0 HB2 PHE A 56 21.837 31.388 -12.441 1.00 26.03 H new ATOM 0 HB3 PHE A 56 21.098 30.567 -13.541 1.00 26.03 H new ATOM 0 HD1 PHE A 56 24.150 30.823 -11.838 1.00 34.71 H new ATOM 0 HD2 PHE A 56 22.247 28.702 -14.647 1.00 35.26 H new ATOM 0 HE1 PHE A 56 25.840 29.239 -11.778 1.00 36.23 H new ATOM 0 HE2 PHE A 56 23.899 27.074 -14.525 1.00 36.16 H new ATOM 0 HZ PHE A 56 25.681 27.324 -13.070 1.00 36.33 H new ATOM 257 N SER A 57 21.077 31.319 -16.291 1.00 23.31 N ATOM 258 CA SER A 57 20.907 30.767 -17.625 1.00 23.36 C ATOM 259 C SER A 57 21.600 31.636 -18.675 1.00 23.16 C ATOM 260 O SER A 57 22.428 31.165 -19.431 1.00 22.70 O ATOM 261 CB SER A 57 19.428 30.625 -17.942 1.00 23.59 C ATOM 262 OG SER A 57 18.888 29.583 -17.164 1.00 25.95 O ATOM 0 H SER A 57 20.338 31.540 -15.910 1.00 23.31 H new ATOM 0 HA SER A 57 21.321 29.890 -17.648 1.00 23.36 H new ATOM 0 HB2 SER A 57 18.965 31.456 -17.756 1.00 23.59 H new ATOM 0 HB3 SER A 57 19.305 30.437 -18.886 1.00 23.59 H new ATOM 0 HG SER A 57 18.681 29.878 -16.405 1.00 25.95 H new ATOM 263 N VAL A 58 21.282 32.915 -18.690 1.00 23.70 N ATOM 264 CA VAL A 58 21.874 33.842 -19.647 1.00 24.42 C ATOM 265 C VAL A 58 23.392 34.011 -19.499 1.00 25.66 C ATOM 266 O VAL A 58 24.091 34.048 -20.505 1.00 31.02 O ATOM 267 CB VAL A 58 21.257 35.240 -19.492 1.00 24.75 C ATOM 268 CG1 VAL A 58 21.944 36.254 -20.392 1.00 25.38 C ATOM 269 CG2 VAL A 58 19.786 35.195 -19.846 1.00 25.67 C ATOM 0 H VAL A 58 20.719 33.275 -18.149 1.00 23.70 H new ATOM 0 HA VAL A 58 21.689 33.451 -20.515 1.00 24.42 H new ATOM 0 HB VAL A 58 21.375 35.512 -18.568 1.00 24.75 H new ATOM 0 HG11 VAL A 58 21.533 37.124 -20.272 1.00 25.38 H new ATOM 0 HG12 VAL A 58 22.885 36.306 -20.162 1.00 25.38 H new ATOM 0 HG13 VAL A 58 21.853 35.979 -21.318 1.00 25.38 H new ATOM 0 HG21 VAL A 58 19.402 36.080 -19.746 1.00 25.67 H new ATOM 0 HG22 VAL A 58 19.683 34.900 -20.764 1.00 25.67 H new ATOM 0 HG23 VAL A 58 19.329 34.576 -19.255 1.00 25.67 H new ATOM 270 N VAL A 59 23.915 34.122 -18.269 1.00 24.03 N ATOM 271 CA VAL A 59 25.353 34.292 -18.071 1.00 23.00 C ATOM 272 C VAL A 59 26.108 32.980 -18.268 1.00 24.19 C ATOM 273 O VAL A 59 27.328 32.989 -18.534 1.00 24.06 O ATOM 274 CB VAL A 59 25.754 34.934 -16.713 1.00 22.70 C ATOM 275 CG1 VAL A 59 25.105 36.286 -16.568 1.00 24.35 C ATOM 276 CG2 VAL A 59 25.404 34.068 -15.525 1.00 22.79 C ATOM 0 H VAL A 59 23.453 34.101 -17.544 1.00 24.03 H new ATOM 0 HA VAL A 59 25.614 34.926 -18.757 1.00 23.00 H new ATOM 0 HB VAL A 59 26.719 35.027 -16.722 1.00 22.70 H new ATOM 0 HG11 VAL A 59 25.361 36.678 -15.719 1.00 24.35 H new ATOM 0 HG12 VAL A 59 25.395 36.864 -17.291 1.00 24.35 H new ATOM 0 HG13 VAL A 59 24.141 36.187 -16.601 1.00 24.35 H new ATOM 0 HG21 VAL A 59 25.675 34.515 -14.708 1.00 22.79 H new ATOM 0 HG22 VAL A 59 24.446 33.915 -15.507 1.00 22.79 H new ATOM 0 HG23 VAL A 59 25.866 33.218 -15.597 1.00 22.79 H new ATOM 277 N THR A 60 25.411 31.850 -18.159 1.00 23.63 N ATOM 278 CA THR A 60 26.027 30.612 -18.514 1.00 24.40 C ATOM 279 C THR A 60 26.155 30.541 -20.038 1.00 27.21 C ATOM 280 O THR A 60 27.248 30.310 -20.577 1.00 28.51 O ATOM 281 CB THR A 60 25.190 29.457 -18.024 1.00 25.56 C ATOM 282 OG1 THR A 60 25.215 29.466 -16.590 1.00 27.84 O ATOM 283 CG2 THR A 60 25.742 28.137 -18.547 1.00 24.27 C ATOM 0 H THR A 60 24.597 31.794 -17.886 1.00 23.63 H new ATOM 0 HA THR A 60 26.904 30.559 -18.104 1.00 24.40 H new ATOM 0 HB THR A 60 24.280 29.549 -18.347 1.00 25.56 H new ATOM 0 HG1 THR A 60 24.733 30.093 -16.305 1.00 27.84 H new ATOM 0 HG21 THR A 60 25.193 27.406 -18.223 1.00 24.27 H new ATOM 0 HG22 THR A 60 25.732 28.143 -19.517 1.00 24.27 H new ATOM 0 HG23 THR A 60 26.653 28.020 -18.234 1.00 24.27 H new ATOM 284 N LEU A 61 25.045 30.743 -20.742 1.00 28.51 N ATOM 285 CA LEU A 61 25.020 30.555 -22.208 1.00 28.12 C ATOM 286 C LEU A 61 25.741 31.610 -23.005 1.00 26.21 C ATOM 287 O LEU A 61 26.118 31.349 -24.131 1.00 26.31 O ATOM 288 CB LEU A 61 23.591 30.413 -22.722 1.00 29.17 C ATOM 289 CG LEU A 61 22.856 29.182 -22.200 1.00 33.21 C ATOM 290 CD1 LEU A 61 21.485 29.078 -22.832 1.00 37.14 C ATOM 291 CD2 LEU A 61 23.613 27.909 -22.520 1.00 35.61 C ATOM 0 H LEU A 61 24.295 30.988 -20.400 1.00 28.51 H new ATOM 0 HA LEU A 61 25.514 29.732 -22.349 1.00 28.12 H new ATOM 0 HB2 LEU A 61 23.089 31.205 -22.475 1.00 29.17 H new ATOM 0 HB3 LEU A 61 23.609 30.379 -23.691 1.00 29.17 H new ATOM 0 HG LEU A 61 22.781 29.283 -21.238 1.00 33.21 H new ATOM 0 HD11 LEU A 61 21.030 28.292 -22.491 1.00 37.14 H new ATOM 0 HD12 LEU A 61 20.968 29.870 -22.616 1.00 37.14 H new ATOM 0 HD13 LEU A 61 21.577 29.006 -23.795 1.00 37.14 H new ATOM 0 HD21 LEU A 61 23.123 27.146 -22.177 1.00 35.61 H new ATOM 0 HD22 LEU A 61 23.711 27.824 -23.481 1.00 35.61 H new ATOM 0 HD23 LEU A 61 24.490 27.941 -22.107 1.00 35.61 H new ATOM 292 N THR A 62 25.913 32.807 -22.449 1.00 27.44 N ATOM 293 CA THR A 62 26.748 33.853 -23.099 1.00 27.57 C ATOM 294 C THR A 62 28.250 33.732 -22.709 1.00 29.18 C ATOM 295 O THR A 62 29.088 34.523 -23.164 1.00 30.34 O ATOM 296 CB THR A 62 26.234 35.247 -22.774 1.00 26.94 C ATOM 297 OG1 THR A 62 26.183 35.411 -21.357 1.00 26.97 O ATOM 298 CG2 THR A 62 24.811 35.477 -23.360 1.00 29.06 C ATOM 0 H THR A 62 25.563 33.045 -21.701 1.00 27.44 H new ATOM 0 HA THR A 62 26.678 33.709 -24.056 1.00 27.57 H new ATOM 0 HB THR A 62 26.839 35.893 -23.172 1.00 26.94 H new ATOM 0 HG1 THR A 62 25.525 34.989 -21.049 1.00 26.97 H new ATOM 0 HG21 THR A 62 24.510 36.372 -23.138 1.00 29.06 H new ATOM 0 HG22 THR A 62 24.838 35.376 -24.324 1.00 29.06 H new ATOM 0 HG23 THR A 62 24.197 34.827 -22.984 1.00 29.06 H new ATOM 299 N THR A 63 28.553 32.715 -21.880 1.00 28.35 N ATOM 300 CA THR A 63 29.881 32.321 -21.413 1.00 24.41 C ATOM 301 C THR A 63 30.507 33.368 -20.585 1.00 24.04 C ATOM 302 O THR A 63 31.742 33.419 -20.488 1.00 26.39 O ATOM 303 CB THR A 63 30.827 31.945 -22.544 1.00 25.06 C ATOM 304 OG1 THR A 63 31.191 33.126 -23.295 1.00 27.13 O ATOM 305 CG2 THR A 63 30.215 30.929 -23.443 1.00 26.40 C ATOM 0 H THR A 63 27.938 32.207 -21.558 1.00 28.35 H new ATOM 0 HA THR A 63 29.732 31.530 -20.872 1.00 24.41 H new ATOM 0 HB THR A 63 31.626 31.555 -22.155 1.00 25.06 H new ATOM 0 HG1 THR A 63 30.593 33.710 -23.207 1.00 27.13 H new ATOM 0 HG21 THR A 63 30.838 30.708 -24.153 1.00 26.40 H new ATOM 0 HG22 THR A 63 30.008 30.129 -22.934 1.00 26.40 H new ATOM 0 HG23 THR A 63 29.400 31.287 -23.828 1.00 26.40 H new ATOM 306 N VAL A 64 29.688 34.222 -19.976 1.00 25.14 N ATOM 307 CA VAL A 64 30.170 35.244 -19.034 1.00 25.92 C ATOM 308 C VAL A 64 30.594 34.509 -17.711 1.00 26.36 C ATOM 309 O VAL A 64 31.770 34.558 -17.284 1.00 26.85 O ATOM 310 CB VAL A 64 29.088 36.289 -18.765 1.00 26.53 C ATOM 311 CG1 VAL A 64 29.502 37.250 -17.674 1.00 27.58 C ATOM 312 CG2 VAL A 64 28.759 37.062 -20.016 1.00 27.72 C ATOM 0 H VAL A 64 28.836 34.229 -20.094 1.00 25.14 H new ATOM 0 HA VAL A 64 30.929 35.718 -19.408 1.00 25.92 H new ATOM 0 HB VAL A 64 28.298 35.808 -18.471 1.00 26.53 H new ATOM 0 HG11 VAL A 64 28.795 37.898 -17.528 1.00 27.58 H new ATOM 0 HG12 VAL A 64 29.663 36.758 -16.854 1.00 27.58 H new ATOM 0 HG13 VAL A 64 30.313 37.711 -17.939 1.00 27.58 H new ATOM 0 HG21 VAL A 64 28.071 37.718 -19.820 1.00 27.72 H new ATOM 0 HG22 VAL A 64 29.555 37.515 -20.336 1.00 27.72 H new ATOM 0 HG23 VAL A 64 28.438 36.452 -20.699 1.00 27.72 H new ATOM 313 N GLY A 65 29.654 33.843 -17.065 1.00 22.78 N ATOM 314 CA GLY A 65 29.918 32.954 -15.967 1.00 21.64 C ATOM 315 C GLY A 65 30.319 33.595 -14.671 1.00 21.00 C ATOM 316 O GLY A 65 31.200 33.083 -13.976 1.00 19.92 O ATOM 0 H GLY A 65 28.819 33.902 -17.264 1.00 22.78 H new ATOM 0 HA2 GLY A 65 29.123 32.421 -15.809 1.00 21.64 H new ATOM 0 HA3 GLY A 65 30.622 32.342 -16.234 1.00 21.64 H new ATOM 317 N GLU A 66 29.681 34.696 -14.307 1.00 22.75 N ATOM 318 CA GLU A 66 30.145 35.418 -13.126 1.00 24.26 C ATOM 319 C GLU A 66 29.432 35.015 -11.809 1.00 25.69 C ATOM 320 O GLU A 66 29.823 35.415 -10.718 1.00 28.05 O ATOM 321 CB AGLU A 66 30.101 36.911 -13.292 0.50 23.00 C ATOM 322 CB BGLU A 66 30.273 36.935 -13.431 0.50 24.87 C ATOM 323 CG AGLU A 66 28.820 37.557 -12.798 0.50 22.70 C ATOM 324 CG BGLU A 66 29.083 37.779 -13.870 0.50 26.28 C ATOM 325 CD AGLU A 66 27.834 37.683 -13.873 0.50 21.78 C ATOM 326 CD BGLU A 66 29.545 39.189 -14.326 0.50 27.41 C ATOM 327 OE1AGLU A 66 27.555 38.842 -14.231 0.50 19.72 O ATOM 328 OE1BGLU A 66 29.434 40.167 -13.557 0.50 28.17 O ATOM 329 OE2AGLU A 66 27.390 36.621 -14.363 0.50 22.33 O ATOM 330 OE2BGLU A 66 30.065 39.345 -15.448 0.50 27.88 O ATOM 0 H GLU A 66 29.002 35.035 -14.710 1.00 22.75 H new ATOM 0 HA GLU A 66 31.072 35.143 -13.045 1.00 24.26 H new ATOM 0 HB2AGLU A 66 30.851 37.301 -12.817 0.50 24.87 H new ATOM 0 HB2BGLU A 66 30.630 37.351 -12.631 0.50 24.87 H new ATOM 0 HB3AGLU A 66 30.218 37.125 -14.231 0.50 24.87 H new ATOM 0 HB3BGLU A 66 30.948 37.024 -14.122 0.50 24.87 H new ATOM 0 HG2AGLU A 66 28.447 37.028 -12.076 0.50 26.28 H new ATOM 0 HG2BGLU A 66 28.617 37.336 -14.597 0.50 26.28 H new ATOM 0 HG3AGLU A 66 29.018 38.434 -12.434 0.50 26.28 H new ATOM 0 HG3BGLU A 66 28.452 37.862 -13.138 0.50 26.28 H new ATOM 331 N THR A 67 28.487 34.106 -11.905 1.00 26.09 N ATOM 332 CA THR A 67 27.815 33.538 -10.738 1.00 28.32 C ATOM 333 C THR A 67 28.597 32.313 -10.273 1.00 28.43 C ATOM 334 O THR A 67 29.455 31.801 -10.989 1.00 29.99 O ATOM 335 CB THR A 67 26.418 33.015 -11.128 1.00 32.21 C ATOM 336 OG1 THR A 67 26.560 32.063 -12.214 1.00 40.77 O ATOM 337 CG2 THR A 67 25.540 34.131 -11.588 1.00 30.58 C ATOM 0 H THR A 67 28.208 33.791 -12.655 1.00 26.09 H new ATOM 0 HA THR A 67 27.755 34.226 -10.057 1.00 28.32 H new ATOM 0 HB THR A 67 26.016 32.598 -10.350 1.00 32.21 H new ATOM 0 HG1 THR A 67 25.920 31.519 -12.195 1.00 40.77 H new ATOM 0 HG21 THR A 67 24.668 33.779 -11.828 1.00 30.58 H new ATOM 0 HG22 THR A 67 25.441 34.781 -10.874 1.00 30.58 H new ATOM 0 HG23 THR A 67 25.939 34.559 -12.361 1.00 30.58 H new ATOM 338 N PRO A 68 28.296 31.817 -9.085 1.00 24.86 N ATOM 339 CA PRO A 68 28.874 30.581 -8.650 1.00 23.17 C ATOM 340 C PRO A 68 28.314 29.426 -9.450 1.00 23.41 C ATOM 341 O PRO A 68 27.263 29.528 -10.080 1.00 23.92 O ATOM 342 CB PRO A 68 28.380 30.452 -7.213 1.00 24.36 C ATOM 343 CG PRO A 68 27.982 31.799 -6.810 1.00 24.43 C ATOM 344 CD PRO A 68 27.453 32.423 -8.061 1.00 24.31 C ATOM 0 HA PRO A 68 29.839 30.568 -8.746 1.00 23.17 H new ATOM 0 HB2 PRO A 68 27.633 29.836 -7.155 1.00 24.36 H new ATOM 0 HB3 PRO A 68 29.078 30.107 -6.634 1.00 24.36 H new ATOM 0 HG2 PRO A 68 27.306 31.774 -6.115 1.00 24.43 H new ATOM 0 HG3 PRO A 68 28.735 32.299 -6.457 1.00 24.43 H new ATOM 0 HD2 PRO A 68 26.514 32.221 -8.198 1.00 24.31 H new ATOM 0 HD3 PRO A 68 27.536 33.389 -8.048 1.00 24.31 H new ATOM 345 N PRO A 69 28.965 28.286 -9.383 1.00 24.91 N ATOM 346 CA PRO A 69 28.416 27.133 -10.126 1.00 25.56 C ATOM 347 C PRO A 69 27.262 26.424 -9.386 1.00 24.96 C ATOM 348 O PRO A 69 27.166 26.543 -8.152 1.00 25.80 O ATOM 349 CB PRO A 69 29.627 26.194 -10.222 1.00 26.87 C ATOM 350 CG PRO A 69 30.440 26.500 -8.964 1.00 26.92 C ATOM 351 CD PRO A 69 30.260 27.983 -8.721 1.00 26.86 C ATOM 0 HA PRO A 69 28.035 27.402 -10.976 1.00 25.56 H new ATOM 0 HB2 PRO A 69 29.353 25.264 -10.249 1.00 26.87 H new ATOM 0 HB3 PRO A 69 30.142 26.362 -11.026 1.00 26.87 H new ATOM 0 HG2 PRO A 69 30.124 25.981 -8.208 1.00 26.92 H new ATOM 0 HG3 PRO A 69 31.376 26.277 -9.089 1.00 26.92 H new ATOM 0 HD2 PRO A 69 30.234 28.189 -7.774 1.00 26.86 H new ATOM 0 HD3 PRO A 69 30.987 28.499 -9.104 1.00 26.86 H new ATOM 352 N PRO A 70 26.477 25.605 -10.102 1.00 24.49 N ATOM 353 CA PRO A 70 25.395 24.851 -9.459 1.00 26.33 C ATOM 354 C PRO A 70 25.921 23.971 -8.318 1.00 24.89 C ATOM 355 O PRO A 70 27.020 23.554 -8.375 1.00 23.11 O ATOM 356 CB PRO A 70 24.856 23.969 -10.597 1.00 28.41 C ATOM 357 CG PRO A 70 25.461 24.502 -11.843 1.00 28.44 C ATOM 358 CD PRO A 70 26.789 25.045 -11.418 1.00 25.76 C ATOM 0 HA PRO A 70 24.727 25.431 -9.061 1.00 26.33 H new ATOM 0 HB2 PRO A 70 25.099 23.040 -10.462 1.00 28.41 H new ATOM 0 HB3 PRO A 70 23.888 24.006 -10.637 1.00 28.41 H new ATOM 0 HG2 PRO A 70 25.562 23.806 -12.511 1.00 28.44 H new ATOM 0 HG3 PRO A 70 24.907 25.194 -12.236 1.00 28.44 H new ATOM 0 HD2 PRO A 70 27.466 24.352 -11.367 1.00 25.76 H new ATOM 0 HD3 PRO A 70 27.119 25.720 -12.031 1.00 25.76 H new ATOM 359 N GLN A 71 25.138 23.704 -7.285 1.00 28.08 N ATOM 360 CA GLN A 71 25.616 22.876 -6.168 1.00 29.29 C ATOM 361 C GLN A 71 25.130 21.434 -6.196 1.00 26.05 C ATOM 362 O GLN A 71 25.568 20.651 -5.393 1.00 26.26 O ATOM 363 CB GLN A 71 25.179 23.459 -4.847 1.00 34.89 C ATOM 364 CG GLN A 71 25.386 24.941 -4.694 1.00 38.43 C ATOM 365 CD GLN A 71 25.015 25.376 -3.295 1.00 44.79 C ATOM 366 OE1 GLN A 71 23.826 25.455 -2.965 1.00 51.19 O ATOM 367 NE2 GLN A 71 26.025 25.626 -2.443 1.00 48.13 N ATOM 0 H GLN A 71 24.330 23.987 -7.203 1.00 28.08 H new ATOM 0 HA GLN A 71 26.581 22.874 -6.269 1.00 29.29 H new ATOM 0 HB2 GLN A 71 24.237 23.265 -4.721 1.00 34.89 H new ATOM 0 HB3 GLN A 71 25.659 23.006 -4.136 1.00 34.89 H new ATOM 0 HG2 GLN A 71 26.312 25.166 -4.875 1.00 38.43 H new ATOM 0 HG3 GLN A 71 24.846 25.419 -5.343 1.00 38.43 H new ATOM 0 HE21 GLN A 71 26.840 25.560 -2.711 1.00 48.13 H new ATOM 0 HE22 GLN A 71 25.856 25.852 -1.630 1.00 48.13 H new ATOM 368 N THR A 72 24.193 21.089 -7.059 1.00 25.09 N ATOM 369 CA THR A 72 23.718 19.682 -7.194 1.00 24.25 C ATOM 370 C THR A 72 24.405 19.047 -8.331 1.00 23.39 C ATOM 371 O THR A 72 24.617 19.714 -9.322 1.00 21.24 O ATOM 372 CB THR A 72 22.187 19.573 -7.490 1.00 21.98 C ATOM 373 OG1 THR A 72 21.873 20.051 -8.813 1.00 21.46 O ATOM 374 CG2 THR A 72 21.401 20.381 -6.495 1.00 22.04 C ATOM 0 H THR A 72 23.804 21.644 -7.588 1.00 25.09 H new ATOM 0 HA THR A 72 23.907 19.251 -6.346 1.00 24.25 H new ATOM 0 HB THR A 72 21.948 18.635 -7.423 1.00 21.98 H new ATOM 0 HG1 THR A 72 22.029 20.875 -8.858 1.00 21.46 H new ATOM 0 HG21 THR A 72 20.454 20.304 -6.691 1.00 22.04 H new ATOM 0 HG22 THR A 72 21.574 20.049 -5.600 1.00 22.04 H new ATOM 0 HG23 THR A 72 21.668 21.312 -6.551 1.00 22.04 H new ATOM 375 N ASP A 73 24.704 17.750 -8.217 1.00 25.09 N ATOM 376 CA ASP A 73 25.203 16.964 -9.356 1.00 28.41 C ATOM 377 C ASP A 73 24.232 17.016 -10.549 1.00 30.71 C ATOM 378 O ASP A 73 24.610 16.992 -11.711 1.00 29.86 O ATOM 379 CB ASP A 73 25.446 15.511 -8.950 1.00 28.82 C ATOM 380 CG ASP A 73 26.688 15.337 -8.101 1.00 33.40 C ATOM 381 OD1 ASP A 73 27.409 16.316 -7.804 1.00 36.36 O ATOM 382 OD2 ASP A 73 26.989 14.177 -7.736 1.00 42.84 O ATOM 0 H ASP A 73 24.625 17.303 -7.486 1.00 25.09 H new ATOM 0 HA ASP A 73 26.044 17.361 -9.631 1.00 28.41 H new ATOM 0 HB2 ASP A 73 24.676 15.184 -8.459 1.00 28.82 H new ATOM 0 HB3 ASP A 73 25.526 14.966 -9.748 1.00 28.82 H new ATOM 383 N PHE A 74 22.964 17.109 -10.253 1.00 33.65 N ATOM 384 CA PHE A 74 21.999 17.156 -11.294 1.00 34.81 C ATOM 385 C PHE A 74 22.182 18.506 -12.028 1.00 34.67 C ATOM 386 O PHE A 74 22.195 18.552 -13.267 1.00 36.05 O ATOM 387 CB PHE A 74 20.673 16.973 -10.619 1.00 38.60 C ATOM 388 CG PHE A 74 19.513 16.788 -11.524 1.00 46.12 C ATOM 389 CD1 PHE A 74 19.664 16.635 -12.890 1.00 46.44 C ATOM 390 CD2 PHE A 74 18.227 16.746 -10.958 1.00 47.88 C ATOM 391 CE1 PHE A 74 18.558 16.488 -13.687 1.00 51.99 C ATOM 392 CE2 PHE A 74 17.119 16.582 -11.741 1.00 52.11 C ATOM 393 CZ PHE A 74 17.283 16.448 -13.114 1.00 56.83 C ATOM 0 H PHE A 74 22.646 17.146 -9.455 1.00 33.65 H new ATOM 0 HA PHE A 74 22.082 16.469 -11.973 1.00 34.81 H new ATOM 0 HB2 PHE A 74 20.731 16.203 -10.032 1.00 38.60 H new ATOM 0 HB3 PHE A 74 20.505 17.746 -10.058 1.00 38.60 H new ATOM 0 HD1 PHE A 74 20.514 16.632 -13.267 1.00 46.44 H new ATOM 0 HD2 PHE A 74 18.129 16.831 -10.037 1.00 47.88 H new ATOM 0 HE1 PHE A 74 18.656 16.415 -14.609 1.00 51.99 H new ATOM 0 HE2 PHE A 74 16.270 16.560 -11.361 1.00 52.11 H new ATOM 0 HZ PHE A 74 16.537 16.331 -13.657 1.00 56.83 H new ATOM 394 N GLY A 75 22.372 19.592 -11.278 1.00 31.63 N ATOM 395 CA GLY A 75 22.652 20.922 -11.877 1.00 28.84 C ATOM 396 C GLY A 75 23.866 20.974 -12.796 1.00 24.32 C ATOM 397 O GLY A 75 23.850 21.593 -13.879 1.00 19.20 O ATOM 0 H GLY A 75 22.345 19.590 -10.418 1.00 31.63 H new ATOM 0 HA2 GLY A 75 21.872 21.206 -12.378 1.00 28.84 H new ATOM 0 HA3 GLY A 75 22.778 21.564 -11.161 1.00 28.84 H new ATOM 398 N LYS A 76 24.881 20.226 -12.382 1.00 22.78 N ATOM 399 CA LYS A 76 26.142 20.180 -13.090 1.00 23.56 C ATOM 400 C LYS A 76 25.969 19.497 -14.416 1.00 25.88 C ATOM 401 O LYS A 76 26.356 20.032 -15.455 1.00 27.21 O ATOM 402 CB LYS A 76 27.185 19.478 -12.255 1.00 22.49 C ATOM 403 CG LYS A 76 27.615 20.393 -11.142 1.00 24.27 C ATOM 404 CD LYS A 76 28.634 19.766 -10.242 1.00 26.65 C ATOM 405 CE LYS A 76 28.776 20.532 -8.931 1.00 28.21 C ATOM 406 NZ LYS A 76 28.493 19.555 -7.800 1.00 29.67 N ATOM 0 H LYS A 76 24.853 19.731 -11.680 1.00 22.78 H new ATOM 0 HA LYS A 76 26.444 21.087 -13.253 1.00 23.56 H new ATOM 0 HB2 LYS A 76 26.825 18.654 -11.891 1.00 22.49 H new ATOM 0 HB3 LYS A 76 27.947 19.236 -12.804 1.00 22.49 H new ATOM 0 HG2 LYS A 76 27.981 21.208 -11.521 1.00 24.27 H new ATOM 0 HG3 LYS A 76 26.839 20.647 -10.619 1.00 24.27 H new ATOM 0 HD2 LYS A 76 28.380 18.849 -10.055 1.00 26.65 H new ATOM 0 HD3 LYS A 76 29.491 19.737 -10.695 1.00 26.65 H new ATOM 0 HE2 LYS A 76 29.668 20.903 -8.847 1.00 28.21 H new ATOM 0 HE3 LYS A 76 28.156 21.277 -8.902 1.00 28.21 H new ATOM 0 HZ1 LYS A 76 28.569 19.975 -7.019 1.00 29.67 H new ATOM 0 HZ2 LYS A 76 27.668 19.233 -7.885 1.00 29.67 H new ATOM 0 HZ3 LYS A 76 29.077 18.884 -7.834 1.00 29.67 H new ATOM 407 N ILE A 77 25.320 18.340 -14.388 1.00 27.37 N ATOM 408 CA ILE A 77 25.091 17.589 -15.596 1.00 26.61 C ATOM 409 C ILE A 77 24.249 18.401 -16.594 1.00 28.16 C ATOM 410 O ILE A 77 24.563 18.469 -17.778 1.00 27.53 O ATOM 411 CB ILE A 77 24.434 16.249 -15.271 1.00 27.49 C ATOM 412 CG1 ILE A 77 25.436 15.382 -14.479 1.00 29.01 C ATOM 413 CG2 ILE A 77 24.022 15.551 -16.560 1.00 26.91 C ATOM 414 CD1 ILE A 77 24.823 14.209 -13.741 1.00 29.92 C ATOM 0 H ILE A 77 25.006 17.978 -13.674 1.00 27.37 H new ATOM 0 HA ILE A 77 25.947 17.409 -16.016 1.00 26.61 H new ATOM 0 HB ILE A 77 23.639 16.389 -14.734 1.00 27.49 H new ATOM 0 HG12 ILE A 77 26.108 15.046 -15.093 1.00 29.01 H new ATOM 0 HG13 ILE A 77 25.895 15.946 -13.837 1.00 29.01 H new ATOM 0 HG21 ILE A 77 23.605 14.701 -16.349 1.00 26.91 H new ATOM 0 HG22 ILE A 77 23.392 16.108 -17.043 1.00 26.91 H new ATOM 0 HG23 ILE A 77 24.806 15.399 -17.111 1.00 26.91 H new ATOM 0 HD11 ILE A 77 25.519 13.721 -13.273 1.00 29.92 H new ATOM 0 HD12 ILE A 77 24.171 14.534 -13.101 1.00 29.92 H new ATOM 0 HD13 ILE A 77 24.387 13.619 -14.376 1.00 29.92 H new ATOM 415 N PHE A 78 23.160 18.993 -16.122 1.00 29.05 N ATOM 416 CA PHE A 78 22.269 19.746 -17.005 1.00 28.37 C ATOM 417 C PHE A 78 23.025 20.930 -17.577 1.00 28.02 C ATOM 418 O PHE A 78 22.923 21.220 -18.779 1.00 24.53 O ATOM 419 CB PHE A 78 20.986 20.186 -16.238 1.00 31.15 C ATOM 420 CG PHE A 78 20.095 21.171 -16.998 1.00 30.33 C ATOM 421 CD1 PHE A 78 20.220 22.527 -16.775 1.00 30.78 C ATOM 422 CD2 PHE A 78 19.161 20.737 -17.922 1.00 28.77 C ATOM 423 CE1 PHE A 78 19.462 23.435 -17.479 1.00 31.29 C ATOM 424 CE2 PHE A 78 18.380 21.645 -18.618 1.00 31.67 C ATOM 425 CZ PHE A 78 18.543 23.005 -18.400 1.00 31.41 C ATOM 0 H PHE A 78 22.917 18.973 -15.297 1.00 29.05 H new ATOM 0 HA PHE A 78 21.978 19.185 -17.741 1.00 28.37 H new ATOM 0 HB2 PHE A 78 20.465 19.396 -16.023 1.00 31.15 H new ATOM 0 HB3 PHE A 78 21.249 20.590 -15.396 1.00 31.15 H new ATOM 0 HD1 PHE A 78 20.826 22.832 -16.139 1.00 30.78 H new ATOM 0 HD2 PHE A 78 19.056 19.826 -18.077 1.00 28.77 H new ATOM 0 HE1 PHE A 78 19.574 24.346 -17.329 1.00 31.29 H new ATOM 0 HE2 PHE A 78 17.748 21.343 -19.230 1.00 31.67 H new ATOM 0 HZ PHE A 78 18.033 23.620 -18.875 1.00 31.41 H new ATOM 426 N THR A 79 23.788 21.594 -16.714 1.00 27.99 N ATOM 427 CA THR A 79 24.583 22.735 -17.156 1.00 33.07 C ATOM 428 C THR A 79 25.570 22.371 -18.282 1.00 32.70 C ATOM 429 O THR A 79 25.639 23.078 -19.293 1.00 34.79 O ATOM 430 CB THR A 79 25.317 23.398 -15.977 1.00 33.02 C ATOM 431 OG1 THR A 79 24.342 23.804 -14.999 1.00 36.43 O ATOM 432 CG2 THR A 79 26.061 24.612 -16.442 1.00 31.10 C ATOM 0 H THR A 79 23.859 21.403 -15.878 1.00 27.99 H new ATOM 0 HA THR A 79 23.957 23.377 -17.526 1.00 33.07 H new ATOM 0 HB THR A 79 25.946 22.765 -15.597 1.00 33.02 H new ATOM 0 HG1 THR A 79 24.046 23.127 -14.600 1.00 36.43 H new ATOM 0 HG21 THR A 79 26.518 25.019 -15.690 1.00 31.10 H new ATOM 0 HG22 THR A 79 26.711 24.355 -17.115 1.00 31.10 H new ATOM 0 HG23 THR A 79 25.436 25.249 -16.823 1.00 31.10 H new ATOM 433 N ILE A 80 26.281 21.250 -18.133 1.00 32.21 N ATOM 434 CA ILE A 80 27.192 20.737 -19.185 1.00 31.15 C ATOM 435 C ILE A 80 26.512 20.585 -20.576 1.00 32.51 C ATOM 436 O ILE A 80 26.996 21.008 -21.608 1.00 32.27 O ATOM 437 CB ILE A 80 27.796 19.398 -18.741 1.00 33.72 C ATOM 438 CG1 ILE A 80 28.746 19.604 -17.515 1.00 33.28 C ATOM 439 CG2 ILE A 80 28.516 18.735 -19.904 1.00 34.39 C ATOM 440 CD1 ILE A 80 29.282 18.326 -16.893 1.00 30.37 C ATOM 0 H ILE A 80 26.254 20.762 -17.425 1.00 32.21 H new ATOM 0 HA ILE A 80 27.891 21.400 -19.296 1.00 31.15 H new ATOM 0 HB ILE A 80 27.081 18.807 -18.459 1.00 33.72 H new ATOM 0 HG12 ILE A 80 29.497 20.151 -17.794 1.00 33.28 H new ATOM 0 HG13 ILE A 80 28.269 20.103 -16.834 1.00 33.28 H new ATOM 0 HG21 ILE A 80 28.893 17.890 -19.612 1.00 34.39 H new ATOM 0 HG22 ILE A 80 27.888 18.576 -20.625 1.00 34.39 H new ATOM 0 HG23 ILE A 80 29.227 19.315 -20.218 1.00 34.39 H new ATOM 0 HD11 ILE A 80 29.858 18.547 -16.145 1.00 30.37 H new ATOM 0 HD12 ILE A 80 28.542 17.782 -16.581 1.00 30.37 H new ATOM 0 HD13 ILE A 80 29.789 17.831 -17.556 1.00 30.37 H new ATOM 441 N LEU A 81 25.321 20.031 -20.569 1.00 35.18 N ATOM 442 CA LEU A 81 24.581 19.751 -21.772 1.00 33.50 C ATOM 443 C LEU A 81 23.886 20.977 -22.285 1.00 33.26 C ATOM 444 O LEU A 81 23.796 21.167 -23.483 1.00 32.21 O ATOM 445 CB LEU A 81 23.546 18.682 -21.431 1.00 35.90 C ATOM 446 CG LEU A 81 24.143 17.315 -21.166 1.00 36.74 C ATOM 447 CD1 LEU A 81 23.093 16.422 -20.535 1.00 38.31 C ATOM 448 CD2 LEU A 81 24.640 16.760 -22.493 1.00 37.63 C ATOM 0 H LEU A 81 24.911 19.802 -19.848 1.00 35.18 H new ATOM 0 HA LEU A 81 25.188 19.449 -22.466 1.00 33.50 H new ATOM 0 HB2 LEU A 81 23.047 18.965 -20.649 1.00 35.90 H new ATOM 0 HB3 LEU A 81 22.912 18.613 -22.162 1.00 35.90 H new ATOM 0 HG LEU A 81 24.888 17.365 -20.547 1.00 36.74 H new ATOM 0 HD11 LEU A 81 23.473 15.546 -20.364 1.00 38.31 H new ATOM 0 HD12 LEU A 81 22.795 16.813 -19.699 1.00 38.31 H new ATOM 0 HD13 LEU A 81 22.338 16.335 -21.137 1.00 38.31 H new ATOM 0 HD21 LEU A 81 25.028 15.882 -22.352 1.00 37.63 H new ATOM 0 HD22 LEU A 81 23.897 16.688 -23.113 1.00 37.63 H new ATOM 0 HD23 LEU A 81 25.312 17.355 -22.862 1.00 37.63 H new ATOM 449 N TYR A 82 23.342 21.761 -21.355 1.00 32.56 N ATOM 450 CA TYR A 82 22.718 23.054 -21.646 1.00 34.59 C ATOM 451 C TYR A 82 23.723 23.964 -22.333 1.00 30.77 C ATOM 452 O TYR A 82 23.390 24.604 -23.316 1.00 36.36 O ATOM 453 CB TYR A 82 22.258 23.682 -20.340 1.00 36.06 C ATOM 454 CG TYR A 82 21.362 24.912 -20.411 1.00 38.52 C ATOM 455 CD1 TYR A 82 21.642 26.045 -19.642 1.00 39.39 C ATOM 456 CD2 TYR A 82 20.197 24.919 -21.155 1.00 40.25 C ATOM 457 CE1 TYR A 82 20.813 27.153 -19.644 1.00 37.20 C ATOM 458 CE2 TYR A 82 19.364 26.033 -21.167 1.00 39.28 C ATOM 459 CZ TYR A 82 19.677 27.145 -20.404 1.00 35.84 C ATOM 460 OH TYR A 82 18.837 28.226 -20.419 1.00 30.42 O ATOM 0 H TYR A 82 23.325 21.553 -20.521 1.00 32.56 H new ATOM 0 HA TYR A 82 21.957 22.929 -22.234 1.00 34.59 H new ATOM 0 HB2 TYR A 82 21.788 23.002 -19.833 1.00 36.06 H new ATOM 0 HB3 TYR A 82 23.048 23.920 -19.831 1.00 36.06 H new ATOM 0 HD1 TYR A 82 22.407 26.055 -19.114 1.00 39.39 H new ATOM 0 HD2 TYR A 82 19.967 24.169 -21.654 1.00 40.25 H new ATOM 0 HE1 TYR A 82 21.028 27.899 -19.131 1.00 37.20 H new ATOM 0 HE2 TYR A 82 18.594 26.031 -21.689 1.00 39.28 H new ATOM 0 HH TYR A 82 18.162 28.050 -20.886 1.00 30.42 H new ATOM 461 N ILE A 83 24.956 23.977 -21.842 1.00 29.15 N ATOM 462 CA ILE A 83 26.037 24.747 -22.457 1.00 28.66 C ATOM 463 C ILE A 83 26.297 24.318 -23.895 1.00 29.79 C ATOM 464 O ILE A 83 26.357 25.139 -24.777 1.00 29.18 O ATOM 465 CB ILE A 83 27.347 24.631 -21.650 1.00 27.76 C ATOM 466 CG1 ILE A 83 27.267 25.429 -20.360 1.00 26.93 C ATOM 467 CG2 ILE A 83 28.538 25.183 -22.447 1.00 28.10 C ATOM 468 CD1 ILE A 83 28.434 25.203 -19.440 1.00 27.04 C ATOM 0 H ILE A 83 25.193 23.539 -21.141 1.00 29.15 H new ATOM 0 HA ILE A 83 25.743 25.671 -22.456 1.00 28.66 H new ATOM 0 HB ILE A 83 27.471 23.688 -21.461 1.00 27.76 H new ATOM 0 HG12 ILE A 83 27.213 26.373 -20.575 1.00 26.93 H new ATOM 0 HG13 ILE A 83 26.448 25.197 -19.895 1.00 26.93 H new ATOM 0 HG21 ILE A 83 29.348 25.099 -21.919 1.00 28.10 H new ATOM 0 HG22 ILE A 83 28.636 24.681 -23.271 1.00 28.10 H new ATOM 0 HG23 ILE A 83 28.383 26.118 -22.654 1.00 28.10 H new ATOM 0 HD11 ILE A 83 28.323 25.738 -18.639 1.00 27.04 H new ATOM 0 HD12 ILE A 83 28.478 24.265 -19.198 1.00 27.04 H new ATOM 0 HD13 ILE A 83 29.255 25.460 -19.889 1.00 27.04 H new ATOM 469 N PHE A 84 26.453 23.033 -24.142 1.00 34.92 N ATOM 470 CA PHE A 84 26.688 22.590 -25.514 1.00 37.97 C ATOM 471 C PHE A 84 25.585 22.856 -26.539 1.00 40.01 C ATOM 472 O PHE A 84 25.867 23.167 -27.695 1.00 40.89 O ATOM 473 CB PHE A 84 27.070 21.143 -25.502 1.00 36.77 C ATOM 474 CG PHE A 84 28.505 20.954 -25.214 1.00 40.54 C ATOM 475 CD1 PHE A 84 29.437 21.196 -26.210 1.00 41.04 C ATOM 476 CD2 PHE A 84 28.941 20.641 -23.941 1.00 41.02 C ATOM 477 CE1 PHE A 84 30.778 21.051 -25.965 1.00 44.23 C ATOM 478 CE2 PHE A 84 30.277 20.513 -23.672 1.00 41.72 C ATOM 479 CZ PHE A 84 31.205 20.711 -24.692 1.00 45.72 C ATOM 0 H PHE A 84 26.429 22.409 -23.551 1.00 34.92 H new ATOM 0 HA PHE A 84 27.410 23.154 -25.833 1.00 37.97 H new ATOM 0 HB2 PHE A 84 26.543 20.675 -24.836 1.00 36.77 H new ATOM 0 HB3 PHE A 84 26.858 20.746 -26.361 1.00 36.77 H new ATOM 0 HD1 PHE A 84 29.150 21.460 -27.054 1.00 41.04 H new ATOM 0 HD2 PHE A 84 28.320 20.516 -23.260 1.00 41.02 H new ATOM 0 HE1 PHE A 84 31.396 21.180 -26.648 1.00 44.23 H new ATOM 0 HE2 PHE A 84 30.563 20.295 -22.814 1.00 41.72 H new ATOM 0 HZ PHE A 84 32.113 20.615 -24.518 1.00 45.72 H new ATOM 480 N ILE A 85 24.338 22.750 -26.107 1.00 44.97 N ATOM 481 CA ILE A 85 23.153 22.982 -26.968 1.00 45.62 C ATOM 482 C ILE A 85 22.794 24.461 -27.103 1.00 44.10 C ATOM 483 O ILE A 85 22.456 24.926 -28.182 1.00 50.59 O ATOM 484 CB ILE A 85 21.979 22.162 -26.414 1.00 45.34 C ATOM 485 CG1 ILE A 85 22.191 20.688 -26.805 1.00 48.41 C ATOM 486 CG2 ILE A 85 20.669 22.645 -26.958 1.00 47.68 C ATOM 487 CD1 ILE A 85 21.636 19.675 -25.826 1.00 48.48 C ATOM 0 H ILE A 85 24.139 22.539 -25.297 1.00 44.97 H new ATOM 0 HA ILE A 85 23.365 22.689 -27.868 1.00 45.62 H new ATOM 0 HB ILE A 85 21.951 22.262 -25.450 1.00 45.34 H new ATOM 0 HG12 ILE A 85 21.783 20.536 -27.672 1.00 48.41 H new ATOM 0 HG13 ILE A 85 23.142 20.529 -26.908 1.00 48.41 H new ATOM 0 HG21 ILE A 85 19.949 22.109 -26.591 1.00 47.68 H new ATOM 0 HG22 ILE A 85 20.539 23.574 -26.711 1.00 47.68 H new ATOM 0 HG23 ILE A 85 20.671 22.565 -27.925 1.00 47.68 H new ATOM 0 HD11 ILE A 85 21.814 18.779 -26.152 1.00 48.48 H new ATOM 0 HD12 ILE A 85 22.059 19.795 -24.961 1.00 48.48 H new ATOM 0 HD13 ILE A 85 20.678 19.802 -25.737 1.00 48.48 H new ATOM 488 N GLY A 86 22.898 25.191 -26.005 1.00 40.61 N ATOM 489 CA GLY A 86 22.534 26.568 -25.979 1.00 40.79 C ATOM 490 C GLY A 86 23.512 27.514 -26.621 1.00 43.38 C ATOM 491 O GLY A 86 23.109 28.385 -27.370 1.00 43.95 O ATOM 0 H GLY A 86 23.186 24.887 -25.254 1.00 40.61 H new ATOM 0 HA2 GLY A 86 21.676 26.667 -26.421 1.00 40.79 H new ATOM 0 HA3 GLY A 86 22.410 26.835 -25.055 1.00 40.79 H new ATOM 492 N ILE A 87 24.804 27.373 -26.351 1.00 44.95 N ATOM 493 CA ILE A 87 25.752 28.401 -26.813 1.00 42.53 C ATOM 494 C ILE A 87 25.563 28.797 -28.275 1.00 43.70 C ATOM 495 O ILE A 87 25.548 29.988 -28.615 1.00 44.06 O ATOM 496 CB ILE A 87 27.217 28.010 -26.563 1.00 44.89 C ATOM 497 CG1 ILE A 87 27.611 28.289 -25.106 1.00 44.40 C ATOM 498 CG2 ILE A 87 28.151 28.828 -27.457 1.00 46.69 C ATOM 499 CD1 ILE A 87 29.098 28.151 -24.811 1.00 42.56 C ATOM 0 H ILE A 87 25.151 26.716 -25.917 1.00 44.95 H new ATOM 0 HA ILE A 87 25.543 29.179 -26.273 1.00 42.53 H new ATOM 0 HB ILE A 87 27.301 27.064 -26.760 1.00 44.89 H new ATOM 0 HG12 ILE A 87 27.330 29.188 -24.874 1.00 44.40 H new ATOM 0 HG13 ILE A 87 27.122 27.681 -24.530 1.00 44.40 H new ATOM 0 HG21 ILE A 87 29.070 28.570 -27.287 1.00 46.69 H new ATOM 0 HG22 ILE A 87 27.936 28.662 -28.388 1.00 46.69 H new ATOM 0 HG23 ILE A 87 28.040 29.772 -27.263 1.00 46.69 H new ATOM 0 HD11 ILE A 87 29.261 28.343 -23.874 1.00 42.56 H new ATOM 0 HD12 ILE A 87 29.385 27.246 -25.010 1.00 42.56 H new ATOM 0 HD13 ILE A 87 29.596 28.776 -25.360 1.00 42.56 H new ATOM 500 N GLY A 88 25.387 27.804 -29.138 1.00 49.37 N ATOM 501 CA GLY A 88 25.311 28.041 -30.584 1.00 52.12 C ATOM 502 C GLY A 88 24.078 28.827 -30.950 1.00 52.36 C ATOM 503 O GLY A 88 24.127 29.755 -31.763 1.00 48.44 O ATOM 0 H GLY A 88 25.308 26.979 -28.909 1.00 49.37 H new ATOM 0 HA2 GLY A 88 26.101 28.522 -30.876 1.00 52.12 H new ATOM 0 HA3 GLY A 88 25.306 27.192 -31.053 1.00 52.12 H new ATOM 504 N LEU A 89 22.995 28.477 -30.271 1.00 57.98 N ATOM 505 CA LEU A 89 21.708 29.179 -30.337 1.00 58.91 C ATOM 506 C LEU A 89 21.841 30.660 -29.977 1.00 62.33 C ATOM 507 O LEU A 89 21.552 31.554 -30.806 1.00 71.76 O ATOM 508 CB LEU A 89 20.733 28.497 -29.342 1.00 56.67 C ATOM 509 CG LEU A 89 19.608 27.588 -29.809 1.00 61.56 C ATOM 510 CD1 LEU A 89 20.080 26.251 -30.378 1.00 63.82 C ATOM 511 CD2 LEU A 89 18.709 27.324 -28.622 1.00 62.72 C ATOM 0 H LEU A 89 22.983 27.801 -29.739 1.00 57.98 H new ATOM 0 HA LEU A 89 21.377 29.130 -31.247 1.00 58.91 H new ATOM 0 HB2 LEU A 89 21.277 27.977 -28.730 1.00 56.67 H new ATOM 0 HB3 LEU A 89 20.322 29.206 -28.823 1.00 56.67 H new ATOM 0 HG LEU A 89 19.150 28.043 -30.533 1.00 61.56 H new ATOM 0 HD11 LEU A 89 19.312 25.727 -30.654 1.00 63.82 H new ATOM 0 HD12 LEU A 89 20.654 26.410 -31.143 1.00 63.82 H new ATOM 0 HD13 LEU A 89 20.574 25.766 -29.698 1.00 63.82 H new ATOM 0 HD21 LEU A 89 17.979 26.744 -28.891 1.00 62.72 H new ATOM 0 HD22 LEU A 89 19.220 26.894 -27.918 1.00 62.72 H new ATOM 0 HD23 LEU A 89 18.350 28.164 -28.294 1.00 62.72 H new ATOM 512 N VAL A 90 22.254 30.896 -28.718 1.00 59.52 N ATOM 513 CA VAL A 90 22.361 32.225 -28.106 1.00 52.05 C ATOM 514 C VAL A 90 23.295 33.088 -28.908 1.00 48.78 C ATOM 515 O VAL A 90 22.965 34.251 -29.247 1.00 53.09 O ATOM 516 CB VAL A 90 22.853 32.137 -26.650 1.00 52.88 C ATOM 517 CG1 VAL A 90 23.237 33.502 -26.127 1.00 57.68 C ATOM 518 CG2 VAL A 90 21.768 31.561 -25.749 1.00 51.98 C ATOM 0 H VAL A 90 22.486 30.263 -28.184 1.00 59.52 H new ATOM 0 HA VAL A 90 21.476 32.622 -28.101 1.00 52.05 H new ATOM 0 HB VAL A 90 23.629 31.556 -26.642 1.00 52.88 H new ATOM 0 HG11 VAL A 90 23.543 33.423 -25.210 1.00 57.68 H new ATOM 0 HG12 VAL A 90 23.948 33.870 -26.674 1.00 57.68 H new ATOM 0 HG13 VAL A 90 22.466 34.090 -26.160 1.00 57.68 H new ATOM 0 HG21 VAL A 90 22.096 31.513 -24.837 1.00 51.98 H new ATOM 0 HG22 VAL A 90 20.984 32.131 -25.781 1.00 51.98 H new ATOM 0 HG23 VAL A 90 21.532 30.671 -26.054 1.00 51.98 H new ATOM 519 N PHE A 91 24.436 32.531 -29.272 1.00 48.58 N ATOM 520 CA PHE A 91 25.364 33.335 -30.043 1.00 51.97 C ATOM 521 C PHE A 91 24.881 33.643 -31.461 1.00 57.52 C ATOM 522 O PHE A 91 25.202 34.695 -32.015 1.00 57.34 O ATOM 523 CB PHE A 91 26.766 32.778 -29.950 1.00 54.93 C ATOM 524 CG PHE A 91 27.460 33.241 -28.722 1.00 54.94 C ATOM 525 CD1 PHE A 91 28.081 34.471 -28.707 1.00 53.10 C ATOM 526 CD2 PHE A 91 27.396 32.506 -27.547 1.00 58.52 C ATOM 527 CE1 PHE A 91 28.693 34.936 -27.568 1.00 54.40 C ATOM 528 CE2 PHE A 91 28.004 32.968 -26.393 1.00 57.53 C ATOM 529 CZ PHE A 91 28.661 34.182 -26.408 1.00 57.12 C ATOM 0 H PHE A 91 24.685 31.727 -29.094 1.00 48.58 H new ATOM 0 HA PHE A 91 25.399 34.215 -29.636 1.00 51.97 H new ATOM 0 HB2 PHE A 91 26.730 31.809 -29.956 1.00 54.93 H new ATOM 0 HB3 PHE A 91 27.274 33.048 -30.731 1.00 54.93 H new ATOM 0 HD1 PHE A 91 28.086 34.993 -29.477 1.00 53.10 H new ATOM 0 HD2 PHE A 91 26.940 31.695 -27.535 1.00 58.52 H new ATOM 0 HE1 PHE A 91 29.129 35.758 -27.577 1.00 54.40 H new ATOM 0 HE2 PHE A 91 27.970 32.464 -25.612 1.00 57.53 H new ATOM 0 HZ PHE A 91 29.082 34.493 -25.639 1.00 57.12 H new ATOM 530 N GLY A 92 24.073 32.734 -32.018 1.00 63.22 N ATOM 531 CA GLY A 92 23.477 32.922 -33.340 1.00 56.46 C ATOM 532 C GLY A 92 22.517 34.064 -33.307 1.00 58.55 C ATOM 533 O GLY A 92 22.500 34.903 -34.206 1.00 60.89 O ATOM 0 H GLY A 92 23.857 31.993 -31.638 1.00 63.22 H new ATOM 0 HA2 GLY A 92 24.172 33.092 -33.995 1.00 56.46 H new ATOM 0 HA3 GLY A 92 23.019 32.112 -33.615 1.00 56.46 H new ATOM 534 N PHE A 93 21.695 34.084 -32.264 1.00 64.21 N ATOM 535 CA PHE A 93 20.754 35.176 -32.056 1.00 58.98 C ATOM 536 C PHE A 93 21.512 36.485 -31.874 1.00 65.94 C ATOM 537 O PHE A 93 21.238 37.475 -32.564 1.00 74.46 O ATOM 538 CB PHE A 93 19.885 34.908 -30.832 1.00 60.68 C ATOM 539 CG PHE A 93 19.114 36.110 -30.374 1.00 55.55 C ATOM 540 CD1 PHE A 93 19.268 36.604 -29.098 1.00 59.63 C ATOM 541 CD2 PHE A 93 18.271 36.759 -31.217 1.00 55.52 C ATOM 542 CE1 PHE A 93 18.567 37.728 -28.671 1.00 60.91 C ATOM 543 CE2 PHE A 93 17.564 37.877 -30.795 1.00 60.19 C ATOM 544 CZ PHE A 93 17.712 38.365 -29.521 1.00 58.34 C ATOM 0 H PHE A 93 21.667 33.470 -31.662 1.00 64.21 H new ATOM 0 HA PHE A 93 20.180 35.242 -32.835 1.00 58.98 H new ATOM 0 HB2 PHE A 93 19.263 34.192 -31.036 1.00 60.68 H new ATOM 0 HB3 PHE A 93 20.448 34.597 -30.106 1.00 60.68 H new ATOM 0 HD1 PHE A 93 19.851 36.179 -28.511 1.00 59.63 H new ATOM 0 HD2 PHE A 93 18.166 36.451 -32.088 1.00 55.52 H new ATOM 0 HE1 PHE A 93 18.682 38.045 -27.804 1.00 60.91 H new ATOM 0 HE2 PHE A 93 16.982 38.301 -31.384 1.00 60.19 H new ATOM 0 HZ PHE A 93 17.238 39.115 -29.243 1.00 58.34 H new ATOM 545 N ILE A 94 22.482 36.482 -30.959 1.00 66.91 N ATOM 546 CA ILE A 94 23.297 37.653 -30.709 1.00 61.21 C ATOM 547 C ILE A 94 23.904 38.161 -31.997 1.00 67.17 C ATOM 548 O ILE A 94 24.050 39.377 -32.168 1.00 85.00 O ATOM 549 CB ILE A 94 24.386 37.366 -29.649 1.00 58.04 C ATOM 550 CG1 ILE A 94 23.786 37.440 -28.258 1.00 55.67 C ATOM 551 CG2 ILE A 94 25.524 38.375 -29.691 1.00 57.07 C ATOM 552 CD1 ILE A 94 24.607 36.729 -27.224 1.00 54.96 C ATOM 0 H ILE A 94 22.680 35.801 -30.472 1.00 66.91 H new ATOM 0 HA ILE A 94 22.723 38.348 -30.351 1.00 61.21 H new ATOM 0 HB ILE A 94 24.732 36.482 -29.850 1.00 58.04 H new ATOM 0 HG12 ILE A 94 23.690 38.371 -28.002 1.00 55.67 H new ATOM 0 HG13 ILE A 94 22.895 37.057 -28.275 1.00 55.67 H new ATOM 0 HG21 ILE A 94 26.179 38.153 -29.010 1.00 57.07 H new ATOM 0 HG22 ILE A 94 25.945 38.352 -30.564 1.00 57.07 H new ATOM 0 HG23 ILE A 94 25.174 39.264 -29.525 1.00 57.07 H new ATOM 0 HD11 ILE A 94 24.177 36.809 -26.358 1.00 54.96 H new ATOM 0 HD12 ILE A 94 24.684 35.791 -27.461 1.00 54.96 H new ATOM 0 HD13 ILE A 94 25.491 37.126 -27.184 1.00 54.96 H new ATOM 553 N HIS A 95 24.290 37.262 -32.897 1.00 71.42 N ATOM 554 CA HIS A 95 24.992 37.689 -34.110 1.00 76.70 C ATOM 555 C HIS A 95 24.078 38.326 -35.155 1.00 73.60 C ATOM 556 O HIS A 95 24.454 39.333 -35.770 1.00 64.67 O ATOM 557 CB HIS A 95 25.786 36.563 -34.750 1.00 84.67 C ATOM 558 CG HIS A 95 26.608 37.042 -35.905 1.00 82.60 C ATOM 559 ND1 HIS A 95 26.377 36.657 -37.207 1.00 85.74 N ATOM 560 CD2 HIS A 95 27.618 37.944 -35.950 1.00 82.95 C ATOM 561 CE1 HIS A 95 27.231 37.278 -38.002 1.00 86.08 C ATOM 562 NE2 HIS A 95 27.993 38.066 -37.264 1.00 82.13 N ATOM 0 H HIS A 95 24.160 36.415 -32.830 1.00 71.42 H new ATOM 0 HA HIS A 95 25.608 38.372 -33.802 1.00 76.70 H new ATOM 0 HB2 HIS A 95 26.367 36.160 -34.086 1.00 84.67 H new ATOM 0 HB3 HIS A 95 25.178 35.871 -35.052 1.00 84.67 H new ATOM 0 HD2 HIS A 95 27.988 38.396 -35.226 1.00 82.95 H new ATOM 0 HE1 HIS A 95 27.286 37.177 -38.925 1.00 86.08 H new ATOM 0 HE2 HIS A 95 28.622 38.573 -37.559 1.00 82.13 H new ATOM 563 N LYS A 96 22.902 37.735 -35.368 1.00 66.46 N ATOM 564 CA LYS A 96 21.928 38.364 -36.250 1.00 60.11 C ATOM 565 C LYS A 96 21.412 39.646 -35.609 1.00 62.09 C ATOM 566 O LYS A 96 21.133 40.615 -36.310 1.00 61.41 O ATOM 567 CB LYS A 96 20.783 37.413 -36.601 1.00 53.51 C ATOM 0 H LYS A 96 22.655 36.988 -35.020 1.00 66.46 H new ATOM 0 HA LYS A 96 22.367 38.586 -37.086 1.00 60.11 H new ATOM 568 N LEU A 97 21.304 39.664 -34.283 1.00 62.95 N ATOM 569 CA LEU A 97 20.832 40.850 -33.586 1.00 67.50 C ATOM 570 C LEU A 97 21.745 42.030 -33.910 1.00 78.45 C ATOM 571 O LEU A 97 21.258 43.110 -34.235 1.00 80.79 O ATOM 572 CB LEU A 97 20.770 40.629 -32.069 1.00 64.75 C ATOM 573 CG LEU A 97 20.646 41.881 -31.200 1.00 65.44 C ATOM 574 CD1 LEU A 97 19.392 42.686 -31.515 1.00 70.01 C ATOM 575 CD2 LEU A 97 20.630 41.468 -29.745 1.00 67.41 C ATOM 0 H LEU A 97 21.499 39.000 -33.772 1.00 62.95 H new ATOM 0 HA LEU A 97 19.931 41.041 -33.890 1.00 67.50 H new ATOM 0 HB2 LEU A 97 20.015 40.051 -31.877 1.00 64.75 H new ATOM 0 HB3 LEU A 97 21.569 40.151 -31.799 1.00 64.75 H new ATOM 0 HG LEU A 97 21.408 42.451 -31.389 1.00 65.44 H new ATOM 0 HD11 LEU A 97 19.356 43.467 -30.941 1.00 70.01 H new ATOM 0 HD12 LEU A 97 19.412 42.967 -32.443 1.00 70.01 H new ATOM 0 HD13 LEU A 97 18.607 42.137 -31.361 1.00 70.01 H new ATOM 0 HD21 LEU A 97 20.552 42.256 -29.185 1.00 67.41 H new ATOM 0 HD22 LEU A 97 19.875 40.881 -29.583 1.00 67.41 H new ATOM 0 HD23 LEU A 97 21.453 41.001 -29.532 1.00 67.41 H new ATOM 576 N ALA A 98 23.056 41.796 -33.846 1.00 80.66 N ATOM 577 CA ALA A 98 24.080 42.840 -34.006 1.00 78.91 C ATOM 578 C ALA A 98 24.292 43.256 -35.471 1.00 80.59 C ATOM 579 O ALA A 98 24.431 44.447 -35.784 1.00 81.95 O ATOM 580 CB ALA A 98 25.400 42.355 -33.417 1.00 70.59 C ATOM 0 H ALA A 98 23.384 41.014 -33.706 1.00 80.66 H new ATOM 0 HA ALA A 98 23.762 43.624 -33.532 1.00 78.91 H new ATOM 0 HB1 ALA A 98 26.074 43.044 -33.523 1.00 70.59 H new ATOM 0 HB2 ALA A 98 25.282 42.161 -32.474 1.00 70.59 H new ATOM 0 HB3 ALA A 98 25.685 41.551 -33.879 1.00 70.59 H new ATOM 581 N VAL A 99 24.327 42.273 -36.368 1.00 86.22 N ATOM 582 CA VAL A 99 24.691 42.519 -37.753 1.00 87.17 C ATOM 583 C VAL A 99 23.503 43.111 -38.475 1.00 79.43 C ATOM 584 O VAL A 99 23.705 43.961 -39.021 0.00 81.61 O ATOM 0 H VAL A 99 24.141 41.452 -36.189 1.00 86.22 H new ATOM 585 N ASN A 100 22.277 42.711 -38.132 1.00 87.42 N ATOM 586 CA ASN A 100 21.136 43.253 -38.869 1.00 78.67 C ATOM 587 C ASN A 100 19.907 43.577 -38.040 1.00 79.84 C ATOM 588 O ASN A 100 18.793 43.279 -38.456 1.00 83.36 O ATOM 589 CB ASN A 100 20.755 42.401 -40.109 1.00 85.53 C ATOM 590 CG ASN A 100 20.652 40.909 -39.828 1.00 78.60 C ATOM 591 OD1 ASN A 100 20.869 40.087 -40.729 1.00 75.89 O ATOM 592 ND2 ASN A 100 20.299 40.547 -38.604 1.00 83.17 N ATOM 0 H ASN A 100 22.089 42.153 -37.505 1.00 87.42 H new ATOM 0 HA ASN A 100 21.470 44.111 -39.174 1.00 78.67 H new ATOM 0 HB2 ASN A 100 19.905 42.715 -40.456 1.00 85.53 H new ATOM 0 HB3 ASN A 100 21.416 42.545 -40.804 1.00 85.53 H new ATOM 0 HD21 ASN A 100 20.213 39.714 -38.410 1.00 83.17 H new ATOM 0 HD22 ASN A 100 20.156 41.145 -38.003 1.00 83.17 H new ATOM 593 N VAL A 101 20.123 44.144 -36.857 1.00 84.35 N ATOM 594 CA VAL A 101 19.160 45.058 -36.239 1.00 75.64 C ATOM 595 C VAL A 101 19.859 46.318 -35.691 1.00 80.34 C ATOM 596 O VAL A 101 19.311 47.350 -35.663 0.00 87.65 O ATOM 597 CB VAL A 101 18.363 44.391 -35.110 1.00 68.67 C ATOM 598 CG1 VAL A 101 17.404 45.395 -34.502 1.00 76.57 C ATOM 599 CG2 VAL A 101 17.593 43.200 -35.629 1.00 65.29 C ATOM 0 H VAL A 101 20.831 44.011 -36.388 1.00 84.35 H new ATOM 0 HA VAL A 101 18.540 45.311 -36.941 1.00 75.64 H new ATOM 0 HB VAL A 101 18.985 44.083 -34.433 1.00 68.67 H new ATOM 0 HG11 VAL A 101 16.901 44.972 -33.789 1.00 76.57 H new ATOM 0 HG12 VAL A 101 17.904 46.145 -34.143 1.00 76.57 H new ATOM 0 HG13 VAL A 101 16.792 45.712 -35.184 1.00 76.57 H new ATOM 0 HG21 VAL A 101 17.097 42.793 -34.902 1.00 65.29 H new ATOM 0 HG22 VAL A 101 16.976 43.489 -36.319 1.00 65.29 H new ATOM 0 HG23 VAL A 101 18.211 42.552 -36.000 1.00 65.29 H new ATOM 600 N GLN A 102 21.177 46.263 -35.492 1.00 88.91 N ATOM 601 CA GLN A 102 21.963 47.422 -34.991 1.00 84.23 C ATOM 602 C GLN A 102 22.773 48.322 -35.973 1.00 73.65 C ATOM 603 O GLN A 102 22.555 49.512 -36.070 1.00 61.09 O ATOM 604 CB GLN A 102 22.907 46.946 -33.884 1.00 85.90 C ATOM 605 CG GLN A 102 22.210 46.348 -32.684 1.00 83.34 C ATOM 606 CD GLN A 102 23.160 45.781 -31.649 1.00 79.14 C ATOM 607 OE1 GLN A 102 22.743 45.412 -30.578 1.00 80.75 O ATOM 608 NE2 GLN A 102 24.417 45.707 -31.970 1.00 73.57 N ATOM 0 H GLN A 102 21.649 45.560 -35.640 1.00 88.91 H new ATOM 0 HA GLN A 102 21.254 48.020 -34.707 1.00 84.23 H new ATOM 0 HB2 GLN A 102 23.515 46.286 -34.254 1.00 85.90 H new ATOM 0 HB3 GLN A 102 23.447 47.696 -33.590 1.00 85.90 H new ATOM 0 HG2 GLN A 102 21.659 47.029 -32.267 1.00 83.34 H new ATOM 0 HG3 GLN A 102 21.613 45.644 -32.984 1.00 83.34 H new ATOM 0 HE21 GLN A 102 24.680 45.979 -32.742 1.00 73.57 H new ATOM 0 HE22 GLN A 102 24.986 45.386 -31.410 1.00 73.57 H new ATOM 609 N LEU A 103 23.742 47.725 -36.655 0.00 94.95 N ATOM 610 CA LEU A 103 24.625 48.392 -37.626 1.00 62.70 C ATOM 611 C LEU A 103 23.904 49.244 -38.651 1.00 72.81 C ATOM 612 O LEU A 103 24.230 50.404 -38.859 1.00 83.36 O ATOM 613 CB LEU A 103 25.443 47.357 -38.371 0.00 84.16 C ATOM 0 H LEU A 103 23.916 46.887 -36.567 0.00 94.95 H new ATOM 0 HA LEU A 103 25.180 48.987 -37.099 1.00 62.70 H new ATOM 614 N PRO A 104 22.925 48.642 -39.302 0.00 73.52 N ATOM 615 CA PRO A 104 21.972 49.363 -40.136 1.00 55.66 C ATOM 616 C PRO A 104 21.314 50.413 -39.303 1.00 55.74 C ATOM 617 O PRO A 104 21.469 51.556 -39.603 1.00 53.71 O ATOM 618 CB PRO A 104 20.965 48.293 -40.489 1.00 54.29 C ATOM 0 HA PRO A 104 22.364 49.795 -40.911 1.00 55.66 H new ATOM 619 N SER A 105 20.604 50.030 -38.261 1.00 55.46 N ATOM 620 CA SER A 105 19.996 51.077 -37.433 1.00 57.89 C ATOM 621 C SER A 105 21.018 52.154 -37.148 1.00 63.15 C ATOM 622 O SER A 105 20.788 53.337 -37.419 1.00 53.78 O ATOM 623 CB SER A 105 19.498 50.522 -36.102 1.00 62.49 C ATOM 0 H SER A 105 20.461 49.218 -38.016 1.00 55.46 H new ATOM 0 HA SER A 105 19.241 51.438 -37.924 1.00 57.89 H new ATOM 624 N ILE A 106 22.156 51.714 -36.599 1.00 71.84 N ATOM 625 CA ILE A 106 23.249 52.597 -36.188 1.00 70.45 C ATOM 626 C ILE A 106 23.793 53.421 -37.360 1.00 73.21 C ATOM 627 O ILE A 106 23.992 54.641 -37.233 1.00 69.09 O ATOM 628 CB ILE A 106 24.401 51.775 -35.552 1.00 68.06 C ATOM 0 H ILE A 106 22.314 50.881 -36.454 1.00 71.84 H new ATOM 0 HA ILE A 106 22.886 53.212 -35.531 1.00 70.45 H new ATOM 629 N LEU A 107 24.014 52.757 -38.498 1.00 74.40 N ATOM 630 CA LEU A 107 24.581 53.396 -39.686 1.00 74.85 C ATOM 631 C LEU A 107 23.544 54.276 -40.379 1.00 78.60 C ATOM 632 O LEU A 107 23.762 55.481 -40.588 1.00 79.83 O ATOM 0 H LEU A 107 23.838 51.921 -38.601 1.00 74.40 H new ATOM 633 N SER A 108 22.424 53.662 -40.754 1.00 77.77 N ATOM 634 CA SER A 108 21.238 54.404 -41.161 1.00 74.86 C ATOM 635 C SER A 108 20.859 55.229 -39.952 1.00 73.74 C ATOM 636 O SER A 108 19.919 54.916 -39.212 1.00 63.19 O ATOM 637 CB SER A 108 20.104 53.459 -41.568 1.00 75.13 C ATOM 0 H SER A 108 22.332 52.807 -40.779 1.00 77.77 H new ATOM 0 HA SER A 108 21.407 54.959 -41.938 1.00 74.86 H new ATOM 638 N ASN A 109 21.624 56.301 -39.786 1.00 77.75 N ATOM 639 CA ASN A 109 21.809 56.956 -38.495 1.00 80.02 C ATOM 640 C ASN A 109 22.910 57.999 -38.631 1.00 80.67 C ATOM 641 O ASN A 109 22.777 59.126 -38.183 1.00 86.04 O ATOM 0 H ASN A 109 22.057 56.675 -40.428 1.00 77.75 H new ATOM 642 N LEU A 110 24.002 57.606 -39.273 1.00 82.22 N ATOM 643 CA LEU A 110 25.036 58.562 -39.660 1.00 81.91 C ATOM 644 C LEU A 110 24.388 59.542 -40.683 1.00 87.66 C ATOM 645 O LEU A 110 24.047 60.664 -40.312 1.00 88.02 O ATOM 646 CB LEU A 110 26.293 57.845 -40.192 1.00 75.49 C ATOM 0 H LEU A 110 24.166 56.791 -39.495 1.00 82.22 H new ATOM 0 HA LEU A 110 25.355 59.070 -38.898 1.00 81.91 H new ATOM 647 N VAL A 111 24.152 59.073 -41.919 1.00 91.47 N ATOM 648 CA VAL A 111 23.525 59.841 -43.050 1.00 82.15 C ATOM 649 C VAL A 111 22.381 60.816 -42.681 1.00 76.81 C ATOM 650 O VAL A 111 21.204 60.478 -42.822 1.00 68.74 O ATOM 651 CB VAL A 111 22.955 58.865 -44.120 1.00 64.94 C ATOM 0 H VAL A 111 24.356 58.268 -42.144 1.00 91.47 H new ATOM 0 HA VAL A 111 24.261 60.384 -43.374 1.00 82.15 H new ATOM 652 N PRO A 112 22.717 62.041 -42.236 1.00 80.75 N ATOM 653 CA PRO A 112 21.627 62.945 -41.860 1.00 85.06 C ATOM 654 C PRO A 112 21.033 63.296 -42.834 0.00 80.92 C ATOM 655 O PRO A 112 20.014 62.650 -43.035 0.00 85.68 O ATOM 656 CB PRO A 112 22.341 64.051 -41.037 1.00 86.00 C ATOM 657 CG PRO A 112 23.741 63.565 -40.810 1.00 85.00 C ATOM 658 CD PRO A 112 24.025 62.676 -42.002 1.00 83.70 C ATOM 0 HA PRO A 112 20.922 62.556 -41.319 1.00 85.06 H new ATOM 0 HB2 PRO A 112 22.340 64.894 -41.516 1.00 86.00 H new ATOM 0 HB3 PRO A 112 21.886 64.204 -40.194 1.00 86.00 H new ATOM 0 HG2 PRO A 112 24.369 64.303 -40.761 1.00 85.00 H new ATOM 0 HG3 PRO A 112 23.815 63.074 -39.977 1.00 85.00 H new ATOM 0 HD2 PRO A 112 24.323 63.186 -42.771 1.00 83.70 H new ATOM 0 HD3 PRO A 112 24.716 62.023 -41.810 1.00 83.70 H new TER 659 PRO A 112 ATOM 660 N LYS B 20 26.454 15.582 41.473 1.00 81.09 N ATOM 661 CA LYS B 20 27.886 15.800 41.353 1.00 72.27 C ATOM 662 C LYS B 20 28.454 15.121 40.136 1.00 65.13 C ATOM 663 O LYS B 20 28.842 15.783 39.203 1.00 55.49 O ATOM 664 CB LYS B 20 28.609 15.347 42.596 0.00 84.66 C ATOM 0 HA LYS B 20 28.022 16.755 41.249 1.00 72.27 H new ATOM 665 N ASP B 21 28.484 13.798 40.138 1.00 65.65 N ATOM 666 CA ASP B 21 28.515 13.123 38.863 1.00 70.03 C ATOM 667 C ASP B 21 27.154 13.270 38.138 1.00 68.46 C ATOM 668 O ASP B 21 27.112 13.256 36.937 1.00 68.07 O ATOM 669 CB ASP B 21 29.309 11.762 38.775 1.00 65.90 C ATOM 670 CG ASP B 21 28.606 10.535 39.369 1.00 66.17 C ATOM 671 OD1 ASP B 21 27.464 10.571 39.796 1.00 69.65 O ATOM 672 OD2 ASP B 21 29.236 9.476 39.395 1.00 61.48 O ATOM 0 H ASP B 21 28.487 13.294 40.835 1.00 65.65 H new ATOM 0 HA ASP B 21 29.142 13.597 38.295 1.00 70.03 H new ATOM 0 HB2 ASP B 21 29.504 11.581 37.842 1.00 65.90 H new ATOM 0 HB3 ASP B 21 30.160 11.875 39.226 1.00 65.90 H new ATOM 673 N LYS B 22 26.079 13.525 38.877 1.00 64.44 N ATOM 674 CA LYS B 22 24.714 13.681 38.281 1.00 58.86 C ATOM 675 C LYS B 22 24.574 15.040 37.651 1.00 52.01 C ATOM 676 O LYS B 22 23.988 15.194 36.586 1.00 52.70 O ATOM 677 CB LYS B 22 23.589 13.472 39.299 1.00 56.12 C ATOM 0 H LYS B 22 26.100 13.615 39.732 1.00 64.44 H new ATOM 0 HA LYS B 22 24.626 12.988 37.608 1.00 58.86 H new ATOM 678 N GLU B 23 25.124 16.030 38.332 1.00 48.69 N ATOM 679 CA GLU B 23 25.262 17.362 37.787 1.00 48.46 C ATOM 680 C GLU B 23 25.824 17.285 36.370 1.00 43.58 C ATOM 681 O GLU B 23 25.363 17.916 35.426 1.00 41.12 O ATOM 682 CB GLU B 23 26.227 18.104 38.707 1.00 53.47 C ATOM 683 CG GLU B 23 26.492 19.565 38.409 1.00 61.91 C ATOM 684 CD GLU B 23 27.498 20.199 39.392 1.00 72.09 C ATOM 685 OE1 GLU B 23 27.882 19.588 40.426 1.00 73.36 O ATOM 686 OE2 GLU B 23 27.936 21.334 39.118 1.00 88.44 O ATOM 0 H GLU B 23 25.430 15.945 39.131 1.00 48.69 H new ATOM 0 HA GLU B 23 24.408 17.820 37.738 1.00 48.46 H new ATOM 0 HB2 GLU B 23 25.886 18.040 39.613 1.00 53.47 H new ATOM 0 HB3 GLU B 23 27.076 17.636 38.690 1.00 53.47 H new ATOM 0 HG2 GLU B 23 26.831 19.650 37.504 1.00 61.91 H new ATOM 0 HG3 GLU B 23 25.656 20.056 38.446 1.00 61.91 H new ATOM 687 N PHE B 24 26.845 16.469 36.236 1.00 40.71 N ATOM 688 CA PHE B 24 27.599 16.438 35.023 1.00 36.76 C ATOM 689 C PHE B 24 26.883 15.557 34.036 1.00 34.25 C ATOM 690 O PHE B 24 26.882 15.834 32.837 1.00 33.21 O ATOM 691 CB PHE B 24 28.987 15.879 35.291 1.00 35.33 C ATOM 692 CG PHE B 24 29.735 15.634 34.054 1.00 31.79 C ATOM 693 CD1 PHE B 24 29.840 14.362 33.557 1.00 31.24 C ATOM 694 CD2 PHE B 24 30.187 16.706 33.306 1.00 31.17 C ATOM 695 CE1 PHE B 24 30.462 14.121 32.353 1.00 34.86 C ATOM 696 CE2 PHE B 24 30.832 16.487 32.116 1.00 35.70 C ATOM 697 CZ PHE B 24 30.983 15.184 31.636 1.00 36.15 C ATOM 0 H PHE B 24 27.115 15.923 36.844 1.00 40.71 H new ATOM 0 HA PHE B 24 27.686 17.336 34.667 1.00 36.76 H new ATOM 0 HB2 PHE B 24 29.482 16.500 35.848 1.00 35.33 H new ATOM 0 HB3 PHE B 24 28.909 15.050 35.789 1.00 35.33 H new ATOM 0 HD1 PHE B 24 29.486 13.651 34.040 1.00 31.24 H new ATOM 0 HD2 PHE B 24 30.054 17.575 33.610 1.00 31.17 H new ATOM 0 HE1 PHE B 24 30.531 13.254 32.025 1.00 34.86 H new ATOM 0 HE2 PHE B 24 31.168 17.205 31.629 1.00 35.70 H new ATOM 0 HZ PHE B 24 31.433 15.031 30.836 1.00 36.15 H new ATOM 698 N GLN B 25 26.301 14.474 34.532 1.00 33.85 N ATOM 699 CA GLN B 25 25.415 13.649 33.699 1.00 32.85 C ATOM 700 C GLN B 25 24.292 14.488 33.163 1.00 27.56 C ATOM 701 O GLN B 25 24.016 14.443 31.977 1.00 24.17 O ATOM 702 CB GLN B 25 24.827 12.491 34.495 1.00 38.30 C ATOM 703 CG GLN B 25 25.765 11.294 34.617 1.00 42.11 C ATOM 704 CD GLN B 25 25.566 10.481 35.896 1.00 48.24 C ATOM 705 OE1 GLN B 25 24.524 10.550 36.599 1.00 53.58 O ATOM 706 NE2 GLN B 25 26.574 9.690 36.202 1.00 53.04 N ATOM 0 H GLN B 25 26.400 14.196 35.340 1.00 33.85 H new ATOM 0 HA GLN B 25 25.944 13.290 32.970 1.00 32.85 H new ATOM 0 HB2 GLN B 25 24.597 12.804 35.384 1.00 38.30 H new ATOM 0 HB3 GLN B 25 24.002 12.204 34.073 1.00 38.30 H new ATOM 0 HG2 GLN B 25 25.635 10.713 33.851 1.00 42.11 H new ATOM 0 HG3 GLN B 25 26.682 11.608 34.583 1.00 42.11 H new ATOM 0 HE21 GLN B 25 27.271 9.668 35.699 1.00 53.04 H new ATOM 0 HE22 GLN B 25 26.535 9.196 36.905 1.00 53.04 H new ATOM 707 N VAL B 26 23.689 15.290 34.039 1.00 25.31 N ATOM 708 CA VAL B 26 22.572 16.096 33.652 1.00 25.99 C ATOM 709 C VAL B 26 22.986 17.125 32.602 1.00 27.00 C ATOM 710 O VAL B 26 22.420 17.173 31.482 1.00 25.57 O ATOM 711 CB VAL B 26 21.922 16.799 34.851 1.00 25.06 C ATOM 712 CG1 VAL B 26 20.931 17.855 34.388 1.00 23.20 C ATOM 713 CG2 VAL B 26 21.190 15.785 35.700 1.00 24.89 C ATOM 0 H VAL B 26 23.924 15.372 34.862 1.00 25.31 H new ATOM 0 HA VAL B 26 21.911 15.498 33.269 1.00 25.99 H new ATOM 0 HB VAL B 26 22.623 17.227 35.367 1.00 25.06 H new ATOM 0 HG11 VAL B 26 20.533 18.286 35.160 1.00 23.20 H new ATOM 0 HG12 VAL B 26 21.392 18.518 33.850 1.00 23.20 H new ATOM 0 HG13 VAL B 26 20.235 17.436 33.858 1.00 23.20 H new ATOM 0 HG21 VAL B 26 20.780 16.232 36.457 1.00 24.89 H new ATOM 0 HG22 VAL B 26 20.502 15.354 35.169 1.00 24.89 H new ATOM 0 HG23 VAL B 26 21.817 15.118 36.020 1.00 24.89 H new ATOM 714 N LEU B 27 23.980 17.934 32.962 1.00 27.53 N ATOM 715 CA LEU B 27 24.511 18.919 32.050 1.00 26.10 C ATOM 716 C LEU B 27 24.904 18.301 30.741 1.00 24.06 C ATOM 717 O LEU B 27 24.578 18.817 29.693 1.00 22.15 O ATOM 718 CB LEU B 27 25.700 19.657 32.662 1.00 28.54 C ATOM 719 CG LEU B 27 25.338 20.831 33.577 1.00 30.02 C ATOM 720 CD1 LEU B 27 26.620 21.514 33.979 1.00 33.18 C ATOM 721 CD2 LEU B 27 24.376 21.834 32.957 1.00 28.13 C ATOM 0 H LEU B 27 24.357 17.922 33.735 1.00 27.53 H new ATOM 0 HA LEU B 27 23.804 19.561 31.882 1.00 26.10 H new ATOM 0 HB2 LEU B 27 26.230 19.022 33.169 1.00 28.54 H new ATOM 0 HB3 LEU B 27 26.262 19.987 31.944 1.00 28.54 H new ATOM 0 HG LEU B 27 24.865 20.472 34.344 1.00 30.02 H new ATOM 0 HD11 LEU B 27 26.419 22.264 34.561 1.00 33.18 H new ATOM 0 HD12 LEU B 27 27.189 20.884 34.449 1.00 33.18 H new ATOM 0 HD13 LEU B 27 27.079 21.834 33.186 1.00 33.18 H new ATOM 0 HD21 LEU B 27 24.195 22.544 33.592 1.00 28.13 H new ATOM 0 HD22 LEU B 27 24.773 22.211 32.156 1.00 28.13 H new ATOM 0 HD23 LEU B 27 23.546 21.387 32.727 1.00 28.13 H new ATOM 722 N PHE B 28 25.582 17.165 30.815 1.00 28.12 N ATOM 723 CA PHE B 28 25.922 16.393 29.628 1.00 32.21 C ATOM 724 C PHE B 28 24.668 16.080 28.807 1.00 31.40 C ATOM 725 O PHE B 28 24.696 16.261 27.582 1.00 30.19 O ATOM 726 CB PHE B 28 26.678 15.107 29.987 1.00 40.52 C ATOM 727 CG PHE B 28 27.340 14.440 28.802 1.00 49.41 C ATOM 728 CD1 PHE B 28 28.695 14.335 28.735 1.00 53.39 C ATOM 729 CD2 PHE B 28 26.573 13.905 27.761 1.00 64.73 C ATOM 730 CE1 PHE B 28 29.300 13.727 27.659 1.00 65.18 C ATOM 731 CE2 PHE B 28 27.161 13.296 26.678 1.00 68.88 C ATOM 732 CZ PHE B 28 28.535 13.210 26.627 1.00 69.89 C ATOM 0 H PHE B 28 25.858 16.820 31.553 1.00 28.12 H new ATOM 0 HA PHE B 28 26.515 16.936 29.085 1.00 32.21 H new ATOM 0 HB2 PHE B 28 27.354 15.313 30.651 1.00 40.52 H new ATOM 0 HB3 PHE B 28 26.060 14.482 30.396 1.00 40.52 H new ATOM 0 HD1 PHE B 28 29.218 14.678 29.424 1.00 53.39 H new ATOM 0 HD2 PHE B 28 25.646 13.963 27.803 1.00 64.73 H new ATOM 0 HE1 PHE B 28 30.227 13.663 27.625 1.00 65.18 H new ATOM 0 HE2 PHE B 28 26.640 12.948 25.991 1.00 68.88 H new ATOM 0 HZ PHE B 28 28.949 12.805 25.899 1.00 69.89 H new ATOM 733 N VAL B 29 23.584 15.634 29.461 1.00 28.70 N ATOM 734 CA VAL B 29 22.351 15.309 28.734 1.00 30.45 C ATOM 735 C VAL B 29 21.658 16.532 28.059 1.00 29.57 C ATOM 736 O VAL B 29 21.183 16.448 26.897 1.00 26.92 O ATOM 737 CB VAL B 29 21.326 14.543 29.617 1.00 32.40 C ATOM 738 CG1 VAL B 29 19.979 14.420 28.914 1.00 36.02 C ATOM 739 CG2 VAL B 29 21.820 13.153 29.908 1.00 33.94 C ATOM 0 H VAL B 29 23.544 15.515 30.312 1.00 28.70 H new ATOM 0 HA VAL B 29 22.650 14.727 28.018 1.00 30.45 H new ATOM 0 HB VAL B 29 21.223 15.047 30.439 1.00 32.40 H new ATOM 0 HG11 VAL B 29 19.359 13.939 29.484 1.00 36.02 H new ATOM 0 HG12 VAL B 29 19.628 15.305 28.729 1.00 36.02 H new ATOM 0 HG13 VAL B 29 20.092 13.937 28.080 1.00 36.02 H new ATOM 0 HG21 VAL B 29 21.171 12.688 30.459 1.00 33.94 H new ATOM 0 HG22 VAL B 29 21.941 12.671 29.075 1.00 33.94 H new ATOM 0 HG23 VAL B 29 22.667 13.202 30.378 1.00 33.94 H new ATOM 740 N LEU B 30 21.584 17.642 28.784 1.00 26.15 N ATOM 741 CA LEU B 30 20.981 18.828 28.232 1.00 26.62 C ATOM 742 C LEU B 30 21.713 19.261 26.993 1.00 25.54 C ATOM 743 O LEU B 30 21.079 19.506 25.960 1.00 24.42 O ATOM 744 CB LEU B 30 20.999 19.962 29.238 1.00 28.45 C ATOM 745 CG LEU B 30 19.979 19.661 30.343 1.00 31.38 C ATOM 746 CD1 LEU B 30 20.371 20.362 31.650 1.00 29.57 C ATOM 747 CD2 LEU B 30 18.580 20.057 29.874 1.00 30.45 C ATOM 0 H LEU B 30 21.876 17.722 29.589 1.00 26.15 H new ATOM 0 HA LEU B 30 20.061 18.615 28.009 1.00 26.62 H new ATOM 0 HB2 LEU B 30 21.886 20.060 29.618 1.00 28.45 H new ATOM 0 HB3 LEU B 30 20.783 20.801 28.802 1.00 28.45 H new ATOM 0 HG LEU B 30 19.974 18.708 30.526 1.00 31.38 H new ATOM 0 HD11 LEU B 30 19.715 20.160 32.335 1.00 29.57 H new ATOM 0 HD12 LEU B 30 21.244 20.049 31.936 1.00 29.57 H new ATOM 0 HD13 LEU B 30 20.403 21.321 31.506 1.00 29.57 H new ATOM 0 HD21 LEU B 30 17.937 19.865 30.575 1.00 30.45 H new ATOM 0 HD22 LEU B 30 18.563 21.005 29.671 1.00 30.45 H new ATOM 0 HD23 LEU B 30 18.350 19.552 29.078 1.00 30.45 H new ATOM 748 N THR B 31 23.044 19.364 27.085 1.00 24.71 N ATOM 749 CA THR B 31 23.869 19.822 25.954 1.00 23.85 C ATOM 750 C THR B 31 23.597 18.951 24.748 1.00 26.15 C ATOM 751 O THR B 31 23.333 19.468 23.669 1.00 26.28 O ATOM 752 CB THR B 31 25.350 19.770 26.304 1.00 23.23 C ATOM 753 OG1 THR B 31 25.608 20.762 27.264 1.00 20.35 O ATOM 754 CG2 THR B 31 26.230 19.980 25.105 1.00 24.33 C ATOM 0 H THR B 31 23.491 19.173 27.795 1.00 24.71 H new ATOM 0 HA THR B 31 23.637 20.742 25.754 1.00 23.85 H new ATOM 0 HB THR B 31 25.554 18.887 26.650 1.00 23.23 H new ATOM 0 HG1 THR B 31 25.405 20.474 28.026 1.00 20.35 H new ATOM 0 HG21 THR B 31 27.161 19.939 25.375 1.00 24.33 H new ATOM 0 HG22 THR B 31 26.053 19.288 24.449 1.00 24.33 H new ATOM 0 HG23 THR B 31 26.045 20.849 24.716 1.00 24.33 H new ATOM 755 N ILE B 32 23.639 17.634 24.933 1.00 29.89 N ATOM 756 CA ILE B 32 23.418 16.704 23.806 1.00 36.22 C ATOM 757 C ILE B 32 21.997 16.862 23.203 1.00 33.32 C ATOM 758 O ILE B 32 21.830 16.906 21.961 1.00 28.40 O ATOM 759 CB ILE B 32 23.558 15.249 24.225 1.00 41.91 C ATOM 760 CG1 ILE B 32 24.948 14.965 24.806 1.00 45.25 C ATOM 761 CG2 ILE B 32 23.261 14.334 23.036 1.00 45.44 C ATOM 762 CD1 ILE B 32 26.021 14.752 23.782 1.00 46.29 C ATOM 0 H ILE B 32 23.791 17.254 25.690 1.00 29.89 H new ATOM 0 HA ILE B 32 24.097 16.931 23.152 1.00 36.22 H new ATOM 0 HB ILE B 32 22.913 15.069 24.926 1.00 41.91 H new ATOM 0 HG12 ILE B 32 25.205 15.706 25.377 1.00 45.25 H new ATOM 0 HG13 ILE B 32 24.895 14.178 25.370 1.00 45.25 H new ATOM 0 HG21 ILE B 32 23.352 13.408 23.310 1.00 45.44 H new ATOM 0 HG22 ILE B 32 22.356 14.491 22.724 1.00 45.44 H new ATOM 0 HG23 ILE B 32 23.887 14.522 22.319 1.00 45.44 H new ATOM 0 HD11 ILE B 32 26.865 14.579 24.228 1.00 46.29 H new ATOM 0 HD12 ILE B 32 25.790 13.993 23.224 1.00 46.29 H new ATOM 0 HD13 ILE B 32 26.104 15.545 23.230 1.00 46.29 H new ATOM 763 N LEU B 33 20.997 16.961 24.085 1.00 28.04 N ATOM 764 CA LEU B 33 19.649 17.233 23.640 1.00 28.74 C ATOM 765 C LEU B 33 19.557 18.576 22.897 1.00 27.68 C ATOM 766 O LEU B 33 18.856 18.700 21.895 1.00 25.36 O ATOM 767 CB LEU B 33 18.667 17.150 24.826 1.00 30.14 C ATOM 768 CG LEU B 33 18.456 15.743 25.467 1.00 31.00 C ATOM 769 CD1 LEU B 33 17.309 15.753 26.466 1.00 28.97 C ATOM 770 CD2 LEU B 33 18.241 14.649 24.420 1.00 30.35 C ATOM 0 H LEU B 33 21.087 16.873 24.936 1.00 28.04 H new ATOM 0 HA LEU B 33 19.394 16.551 22.999 1.00 28.74 H new ATOM 0 HB2 LEU B 33 18.977 17.754 25.518 1.00 30.14 H new ATOM 0 HB3 LEU B 33 17.805 17.479 24.528 1.00 30.14 H new ATOM 0 HG LEU B 33 19.276 15.535 25.941 1.00 31.00 H new ATOM 0 HD11 LEU B 33 17.203 14.867 26.846 1.00 28.97 H new ATOM 0 HD12 LEU B 33 17.502 16.387 27.174 1.00 28.97 H new ATOM 0 HD13 LEU B 33 16.490 16.011 26.016 1.00 28.97 H new ATOM 0 HD21 LEU B 33 18.115 13.796 24.864 1.00 30.35 H new ATOM 0 HD22 LEU B 33 17.455 14.857 23.891 1.00 30.35 H new ATOM 0 HD23 LEU B 33 19.017 14.599 23.840 1.00 30.35 H new ATOM 771 N THR B 34 20.294 19.574 23.360 1.00 28.15 N ATOM 772 CA THR B 34 20.259 20.874 22.721 1.00 29.89 C ATOM 773 C THR B 34 20.890 20.774 21.355 1.00 31.46 C ATOM 774 O THR B 34 20.434 21.405 20.413 1.00 33.56 O ATOM 775 CB THR B 34 21.009 21.899 23.564 1.00 31.61 C ATOM 776 OG1 THR B 34 20.506 21.805 24.893 1.00 33.31 O ATOM 777 CG2 THR B 34 20.781 23.317 23.060 1.00 31.04 C ATOM 0 H THR B 34 20.818 19.518 24.040 1.00 28.15 H new ATOM 0 HA THR B 34 19.337 21.161 22.634 1.00 29.89 H new ATOM 0 HB THR B 34 21.960 21.714 23.517 1.00 31.61 H new ATOM 0 HG1 THR B 34 20.944 21.228 25.319 1.00 33.31 H new ATOM 0 HG21 THR B 34 21.271 23.941 23.617 1.00 31.04 H new ATOM 0 HG22 THR B 34 21.092 23.389 22.144 1.00 31.04 H new ATOM 0 HG23 THR B 34 19.834 23.525 23.097 1.00 31.04 H new ATOM 778 N LEU B 35 21.949 19.993 21.237 1.00 33.12 N ATOM 779 CA LEU B 35 22.660 19.852 19.932 1.00 36.92 C ATOM 780 C LEU B 35 21.827 19.023 18.955 1.00 38.04 C ATOM 781 O LEU B 35 21.852 19.284 17.734 1.00 40.10 O ATOM 782 CB LEU B 35 24.102 19.269 20.085 1.00 30.96 C ATOM 783 CG LEU B 35 25.089 20.119 20.894 1.00 27.78 C ATOM 784 CD1 LEU B 35 26.370 19.378 21.150 1.00 27.60 C ATOM 785 CD2 LEU B 35 25.394 21.435 20.227 1.00 27.47 C ATOM 0 H LEU B 35 22.285 19.532 21.881 1.00 33.12 H new ATOM 0 HA LEU B 35 22.767 20.745 19.570 1.00 36.92 H new ATOM 0 HB2 LEU B 35 24.036 18.396 20.503 1.00 30.96 H new ATOM 0 HB3 LEU B 35 24.472 19.132 19.199 1.00 30.96 H new ATOM 0 HG LEU B 35 24.653 20.303 21.741 1.00 27.78 H new ATOM 0 HD11 LEU B 35 26.972 19.940 21.662 1.00 27.60 H new ATOM 0 HD12 LEU B 35 26.181 18.568 21.649 1.00 27.60 H new ATOM 0 HD13 LEU B 35 26.785 19.147 20.304 1.00 27.60 H new ATOM 0 HD21 LEU B 35 26.020 21.937 20.772 1.00 27.47 H new ATOM 0 HD22 LEU B 35 25.784 21.273 19.354 1.00 27.47 H new ATOM 0 HD23 LEU B 35 24.575 21.944 20.125 1.00 27.47 H new ATOM 786 N ILE B 36 21.099 18.046 19.497 1.00 39.69 N ATOM 787 CA ILE B 36 20.154 17.249 18.681 1.00 40.89 C ATOM 788 C ILE B 36 19.037 18.114 18.126 1.00 39.38 C ATOM 789 O ILE B 36 18.762 18.034 16.946 1.00 37.14 O ATOM 790 CB ILE B 36 19.623 16.000 19.408 1.00 41.34 C ATOM 791 CG1 ILE B 36 20.752 14.946 19.483 1.00 42.07 C ATOM 792 CG2 ILE B 36 18.435 15.409 18.661 1.00 41.69 C ATOM 793 CD1 ILE B 36 20.678 14.043 20.687 1.00 42.80 C ATOM 0 H ILE B 36 21.131 17.824 20.327 1.00 39.69 H new ATOM 0 HA ILE B 36 20.661 16.909 17.928 1.00 40.89 H new ATOM 0 HB ILE B 36 19.336 16.252 20.299 1.00 41.34 H new ATOM 0 HG12 ILE B 36 20.725 14.401 18.681 1.00 42.07 H new ATOM 0 HG13 ILE B 36 21.607 15.403 19.487 1.00 42.07 H new ATOM 0 HG21 ILE B 36 18.114 14.624 19.132 1.00 41.69 H new ATOM 0 HG22 ILE B 36 17.725 16.068 18.609 1.00 41.69 H new ATOM 0 HG23 ILE B 36 18.708 15.158 17.765 1.00 41.69 H new ATOM 0 HD11 ILE B 36 21.415 13.412 20.665 1.00 42.80 H new ATOM 0 HD12 ILE B 36 20.734 14.576 21.495 1.00 42.80 H new ATOM 0 HD13 ILE B 36 19.838 13.558 20.677 1.00 42.80 H new ATOM 794 N SER B 37 18.450 18.971 18.959 1.00 39.07 N ATOM 795 CA SER B 37 17.494 19.932 18.472 1.00 37.24 C ATOM 796 C SER B 37 18.069 20.750 17.335 1.00 39.42 C ATOM 797 O SER B 37 17.453 20.896 16.283 1.00 42.42 O ATOM 798 CB SER B 37 17.074 20.899 19.569 1.00 39.25 C ATOM 799 OG SER B 37 16.249 20.258 20.498 1.00 43.03 O ATOM 0 H SER B 37 18.597 19.005 19.806 1.00 39.07 H new ATOM 0 HA SER B 37 16.727 19.424 18.164 1.00 37.24 H new ATOM 0 HB2 SER B 37 17.860 21.251 20.015 1.00 39.25 H new ATOM 0 HB3 SER B 37 16.606 21.654 19.180 1.00 39.25 H new ATOM 0 HG SER B 37 16.026 20.802 21.098 1.00 43.03 H new ATOM 800 N GLY B 38 19.240 21.328 17.558 1.00 38.44 N ATOM 801 CA GLY B 38 19.848 22.160 16.552 1.00 36.66 C ATOM 802 C GLY B 38 20.068 21.369 15.296 1.00 37.67 C ATOM 803 O GLY B 38 19.811 21.850 14.188 1.00 31.00 O ATOM 0 H GLY B 38 19.693 21.248 18.285 1.00 38.44 H new ATOM 0 HA2 GLY B 38 19.280 22.924 16.367 1.00 36.66 H new ATOM 0 HA3 GLY B 38 20.693 22.507 16.877 1.00 36.66 H new ATOM 804 N THR B 39 20.518 20.124 15.463 1.00 42.76 N ATOM 805 CA THR B 39 20.827 19.294 14.298 1.00 45.53 C ATOM 806 C THR B 39 19.583 19.016 13.477 1.00 44.75 C ATOM 807 O THR B 39 19.617 19.081 12.238 1.00 47.90 O ATOM 808 CB THR B 39 21.450 17.966 14.701 1.00 47.68 C ATOM 809 OG1 THR B 39 22.725 18.226 15.285 1.00 47.98 O ATOM 810 CG2 THR B 39 21.632 17.027 13.488 1.00 46.39 C ATOM 0 H THR B 39 20.649 19.748 16.225 1.00 42.76 H new ATOM 0 HA THR B 39 21.464 19.795 13.766 1.00 45.53 H new ATOM 0 HB THR B 39 20.858 17.526 15.331 1.00 47.68 H new ATOM 0 HG1 THR B 39 22.621 18.546 16.055 1.00 47.98 H new ATOM 0 HG21 THR B 39 22.030 16.193 13.781 1.00 46.39 H new ATOM 0 HG22 THR B 39 20.768 16.848 13.085 1.00 46.39 H new ATOM 0 HG23 THR B 39 22.212 17.450 12.835 1.00 46.39 H new ATOM 811 N ILE B 40 18.509 18.686 14.178 1.00 42.84 N ATOM 812 CA ILE B 40 17.222 18.436 13.555 1.00 40.32 C ATOM 813 C ILE B 40 16.816 19.734 12.831 1.00 45.38 C ATOM 814 O ILE B 40 16.532 19.722 11.604 1.00 54.81 O ATOM 815 CB ILE B 40 16.213 17.934 14.608 1.00 36.19 C ATOM 816 CG1 ILE B 40 16.549 16.499 15.019 1.00 33.84 C ATOM 817 CG2 ILE B 40 14.802 17.933 14.081 1.00 38.58 C ATOM 818 CD1 ILE B 40 15.808 16.026 16.245 1.00 33.79 C ATOM 0 H ILE B 40 18.507 18.600 15.034 1.00 42.84 H new ATOM 0 HA ILE B 40 17.254 17.727 12.894 1.00 40.32 H new ATOM 0 HB ILE B 40 16.275 18.540 15.363 1.00 36.19 H new ATOM 0 HG12 ILE B 40 16.347 15.904 14.280 1.00 33.84 H new ATOM 0 HG13 ILE B 40 17.503 16.434 15.183 1.00 33.84 H new ATOM 0 HG21 ILE B 40 14.199 17.612 14.770 1.00 38.58 H new ATOM 0 HG22 ILE B 40 14.551 18.835 13.827 1.00 38.58 H new ATOM 0 HG23 ILE B 40 14.746 17.352 13.307 1.00 38.58 H new ATOM 0 HD11 ILE B 40 16.067 15.114 16.448 1.00 33.79 H new ATOM 0 HD12 ILE B 40 16.027 16.599 16.997 1.00 33.79 H new ATOM 0 HD13 ILE B 40 14.853 16.061 16.080 1.00 33.79 H new ATOM 819 N PHE B 41 16.860 20.872 13.531 1.00 43.56 N ATOM 820 CA PHE B 41 16.462 22.135 12.893 1.00 39.15 C ATOM 821 C PHE B 41 17.240 22.468 11.611 1.00 40.36 C ATOM 822 O PHE B 41 16.648 22.777 10.585 1.00 42.81 O ATOM 823 CB PHE B 41 16.540 23.336 13.824 1.00 36.29 C ATOM 824 CG PHE B 41 16.094 24.599 13.146 1.00 34.34 C ATOM 825 CD1 PHE B 41 14.764 25.014 13.218 1.00 33.37 C ATOM 826 CD2 PHE B 41 16.959 25.308 12.334 1.00 33.81 C ATOM 827 CE1 PHE B 41 14.323 26.166 12.559 1.00 30.93 C ATOM 828 CE2 PHE B 41 16.513 26.451 11.651 1.00 34.41 C ATOM 829 CZ PHE B 41 15.186 26.871 11.768 1.00 30.77 C ATOM 0 H PHE B 41 17.109 20.937 14.352 1.00 43.56 H new ATOM 0 HA PHE B 41 15.536 21.971 12.657 1.00 39.15 H new ATOM 0 HB2 PHE B 41 15.987 23.176 14.605 1.00 36.29 H new ATOM 0 HB3 PHE B 41 17.451 23.442 14.138 1.00 36.29 H new ATOM 0 HD1 PHE B 41 14.158 24.514 13.715 1.00 33.37 H new ATOM 0 HD2 PHE B 41 17.840 25.027 12.240 1.00 33.81 H new ATOM 0 HE1 PHE B 41 13.444 26.452 12.659 1.00 30.93 H new ATOM 0 HE2 PHE B 41 17.105 26.931 11.118 1.00 34.41 H new ATOM 0 HZ PHE B 41 14.892 27.625 11.311 1.00 30.77 H new ATOM 830 N TYR B 42 18.563 22.439 11.669 1.00 44.14 N ATOM 831 CA TYR B 42 19.361 22.917 10.526 1.00 48.04 C ATOM 832 C TYR B 42 19.340 21.975 9.319 1.00 48.94 C ATOM 833 O TYR B 42 19.293 22.447 8.181 1.00 45.81 O ATOM 834 CB TYR B 42 20.804 23.271 10.947 1.00 46.29 C ATOM 835 CG TYR B 42 20.840 24.452 11.874 1.00 41.79 C ATOM 836 CD1 TYR B 42 21.139 24.296 13.214 1.00 42.74 C ATOM 837 CD2 TYR B 42 20.515 25.714 11.417 1.00 42.10 C ATOM 838 CE1 TYR B 42 21.136 25.370 14.078 1.00 46.11 C ATOM 839 CE2 TYR B 42 20.498 26.813 12.265 1.00 46.12 C ATOM 840 CZ TYR B 42 20.803 26.644 13.596 1.00 50.25 C ATOM 841 OH TYR B 42 20.803 27.743 14.442 1.00 53.18 O ATOM 0 H TYR B 42 19.019 22.155 12.341 1.00 44.14 H new ATOM 0 HA TYR B 42 18.926 23.731 10.228 1.00 48.04 H new ATOM 0 HB2 TYR B 42 21.211 22.506 11.382 1.00 46.29 H new ATOM 0 HB3 TYR B 42 21.334 23.463 10.157 1.00 46.29 H new ATOM 0 HD1 TYR B 42 21.346 23.450 13.539 1.00 42.74 H new ATOM 0 HD2 TYR B 42 20.302 25.830 10.519 1.00 42.10 H new ATOM 0 HE1 TYR B 42 21.353 25.251 14.974 1.00 46.11 H new ATOM 0 HE2 TYR B 42 20.282 27.656 11.936 1.00 46.12 H new ATOM 0 HH TYR B 42 20.639 28.438 13.999 1.00 53.18 H new ATOM 842 N SER B 43 19.347 20.666 9.579 1.00 46.11 N ATOM 843 CA SER B 43 19.172 19.705 8.540 1.00 49.36 C ATOM 844 C SER B 43 17.859 19.906 7.793 1.00 51.63 C ATOM 845 O SER B 43 17.869 19.926 6.562 1.00 62.96 O ATOM 846 CB SER B 43 19.196 18.306 9.112 1.00 51.16 C ATOM 847 OG SER B 43 18.526 17.436 8.216 1.00 61.63 O ATOM 0 H SER B 43 19.454 20.330 10.363 1.00 46.11 H new ATOM 0 HA SER B 43 19.904 19.826 7.915 1.00 49.36 H new ATOM 0 HB2 SER B 43 20.111 18.013 9.244 1.00 51.16 H new ATOM 0 HB3 SER B 43 18.765 18.291 9.981 1.00 51.16 H new ATOM 0 HG SER B 43 18.535 16.655 8.524 1.00 61.63 H new ATOM 848 N THR B 44 16.735 20.094 8.488 1.00 49.66 N ATOM 849 CA THR B 44 15.460 20.289 7.766 1.00 50.90 C ATOM 850 C THR B 44 15.272 21.695 7.150 1.00 52.85 C ATOM 851 O THR B 44 14.993 21.815 5.953 1.00 56.17 O ATOM 852 CB THR B 44 14.237 19.883 8.609 1.00 50.00 C ATOM 853 OG1 THR B 44 14.256 20.572 9.843 1.00 50.17 O ATOM 854 CG2 THR B 44 14.285 18.400 8.913 1.00 54.67 C ATOM 0 H THR B 44 16.681 20.113 9.346 1.00 49.66 H new ATOM 0 HA THR B 44 15.523 19.682 7.012 1.00 50.90 H new ATOM 0 HB THR B 44 13.436 20.101 8.107 1.00 50.00 H new ATOM 0 HG1 THR B 44 14.863 20.257 10.331 1.00 50.17 H new ATOM 0 HG21 THR B 44 13.512 18.153 9.444 1.00 54.67 H new ATOM 0 HG22 THR B 44 14.280 17.899 8.082 1.00 54.67 H new ATOM 0 HG23 THR B 44 15.094 18.197 9.408 1.00 54.67 H new ATOM 855 N VAL B 45 15.458 22.757 7.926 1.00 54.46 N ATOM 856 CA VAL B 45 15.130 24.106 7.454 1.00 54.14 C ATOM 857 C VAL B 45 16.227 24.704 6.567 1.00 53.46 C ATOM 858 O VAL B 45 15.934 25.447 5.637 1.00 56.16 O ATOM 859 CB VAL B 45 14.779 25.056 8.627 1.00 56.34 C ATOM 860 CG1 VAL B 45 14.658 26.510 8.176 1.00 59.71 C ATOM 861 CG2 VAL B 45 13.476 24.639 9.265 1.00 52.67 C ATOM 0 H VAL B 45 15.771 22.723 8.726 1.00 54.46 H new ATOM 0 HA VAL B 45 14.339 24.014 6.900 1.00 54.14 H new ATOM 0 HB VAL B 45 15.506 24.992 9.266 1.00 56.34 H new ATOM 0 HG11 VAL B 45 14.438 27.068 8.938 1.00 59.71 H new ATOM 0 HG12 VAL B 45 15.501 26.802 7.794 1.00 59.71 H new ATOM 0 HG13 VAL B 45 13.958 26.585 7.509 1.00 59.71 H new ATOM 0 HG21 VAL B 45 13.267 25.240 9.997 1.00 52.67 H new ATOM 0 HG22 VAL B 45 12.766 24.675 8.605 1.00 52.67 H new ATOM 0 HG23 VAL B 45 13.556 23.734 9.604 1.00 52.67 H new ATOM 862 N GLU B 46 17.481 24.422 6.857 1.00 59.81 N ATOM 863 CA GLU B 46 18.576 24.969 6.052 1.00 61.88 C ATOM 864 C GLU B 46 19.106 23.960 5.046 1.00 65.27 C ATOM 865 O GLU B 46 19.934 24.297 4.190 1.00 61.97 O ATOM 866 CB GLU B 46 19.709 25.417 6.962 1.00 67.98 C ATOM 867 CG GLU B 46 19.380 26.648 7.794 1.00 69.67 C ATOM 868 CD GLU B 46 19.382 27.914 6.954 1.00 66.89 C ATOM 869 OE1 GLU B 46 18.386 28.661 7.026 1.00 66.79 O ATOM 870 OE2 GLU B 46 20.307 28.074 6.104 0.00 84.76 O ATOM 0 H GLU B 46 17.728 23.920 7.510 1.00 59.81 H new ATOM 0 HA GLU B 46 18.223 25.725 5.557 1.00 61.88 H new ATOM 0 HB2 GLU B 46 19.942 24.688 7.557 1.00 67.98 H new ATOM 0 HB3 GLU B 46 20.493 25.603 6.421 1.00 67.98 H new ATOM 0 HG2 GLU B 46 18.510 26.536 8.208 1.00 69.67 H new ATOM 0 HG3 GLU B 46 20.026 26.735 8.512 1.00 69.67 H new ATOM 871 N GLY B 47 18.650 22.708 5.147 1.00 70.89 N ATOM 872 CA GLY B 47 19.023 21.688 4.155 1.00 69.20 C ATOM 873 C GLY B 47 20.499 21.304 4.235 1.00 64.12 C ATOM 874 O GLY B 47 21.228 21.353 3.244 1.00 61.07 O ATOM 0 H GLY B 47 18.130 22.429 5.773 1.00 70.89 H new ATOM 0 HA2 GLY B 47 18.479 20.897 4.289 1.00 69.20 H new ATOM 0 HA3 GLY B 47 18.826 22.020 3.265 1.00 69.20 H new ATOM 875 N LEU B 48 20.937 20.990 5.446 1.00 60.66 N ATOM 876 CA LEU B 48 22.294 20.530 5.706 1.00 59.64 C ATOM 877 C LEU B 48 22.273 19.043 6.003 1.00 58.61 C ATOM 878 O LEU B 48 21.288 18.513 6.495 1.00 62.85 O ATOM 879 CB LEU B 48 22.880 21.298 6.908 1.00 58.11 C ATOM 880 CG LEU B 48 22.801 22.838 6.861 1.00 54.77 C ATOM 881 CD1 LEU B 48 23.574 23.488 7.984 1.00 51.57 C ATOM 882 CD2 LEU B 48 23.327 23.354 5.527 1.00 53.34 C ATOM 0 H LEU B 48 20.447 21.039 6.151 1.00 60.66 H new ATOM 0 HA LEU B 48 22.848 20.693 4.926 1.00 59.64 H new ATOM 0 HB2 LEU B 48 22.424 20.997 7.709 1.00 58.11 H new ATOM 0 HB3 LEU B 48 23.812 21.047 7.001 1.00 58.11 H new ATOM 0 HG LEU B 48 21.866 23.074 6.965 1.00 54.77 H new ATOM 0 HD11 LEU B 48 23.496 24.452 7.915 1.00 51.57 H new ATOM 0 HD12 LEU B 48 23.215 23.196 8.836 1.00 51.57 H new ATOM 0 HD13 LEU B 48 24.508 23.234 7.923 1.00 51.57 H new ATOM 0 HD21 LEU B 48 23.272 24.322 5.510 1.00 53.34 H new ATOM 0 HD22 LEU B 48 24.251 23.081 5.416 1.00 53.34 H new ATOM 0 HD23 LEU B 48 22.793 22.988 4.805 1.00 53.34 H new ATOM 883 N ARG B 49 23.360 18.360 5.690 1.00 63.28 N ATOM 884 CA ARG B 49 23.508 16.949 6.062 1.00 64.77 C ATOM 885 C ARG B 49 23.593 16.902 7.593 1.00 64.77 C ATOM 886 O ARG B 49 24.110 17.832 8.212 1.00 61.04 O ATOM 887 CB ARG B 49 24.746 16.318 5.396 1.00 62.63 C ATOM 888 CG ARG B 49 24.781 16.482 3.866 1.00 61.83 C ATOM 889 CD ARG B 49 25.987 15.817 3.183 1.00 60.76 C ATOM 890 NE ARG B 49 27.283 16.157 3.789 1.00 57.10 N ATOM 891 CZ ARG B 49 28.015 15.368 4.593 1.00 58.68 C ATOM 892 NH1 ARG B 49 27.632 14.143 4.960 1.00 52.51 N ATOM 893 NH2 ARG B 49 29.173 15.823 5.043 1.00 59.08 N ATOM 0 H ARG B 49 24.029 18.689 5.262 1.00 63.28 H new ATOM 0 HA ARG B 49 22.751 16.428 5.750 1.00 64.77 H new ATOM 0 HB2 ARG B 49 25.545 16.718 5.774 1.00 62.63 H new ATOM 0 HB3 ARG B 49 24.772 15.373 5.612 1.00 62.63 H new ATOM 0 HG2 ARG B 49 23.966 16.110 3.493 1.00 61.83 H new ATOM 0 HG3 ARG B 49 24.784 17.428 3.653 1.00 61.83 H new ATOM 0 HD2 ARG B 49 25.871 14.854 3.209 1.00 60.76 H new ATOM 0 HD3 ARG B 49 26.000 16.076 2.248 1.00 60.76 H new ATOM 0 HE ARG B 49 27.603 16.935 3.612 1.00 57.10 H new ATOM 0 HH11 ARG B 49 26.884 13.824 4.680 1.00 52.51 H new ATOM 0 HH12 ARG B 49 28.133 13.673 5.477 1.00 52.51 H new ATOM 0 HH21 ARG B 49 29.442 16.609 4.820 1.00 59.08 H new ATOM 0 HH22 ARG B 49 29.656 15.333 5.559 1.00 59.08 H new ATOM 894 N PRO B 50 23.027 15.858 8.222 1.00 61.57 N ATOM 895 CA PRO B 50 23.115 15.817 9.662 1.00 60.42 C ATOM 896 C PRO B 50 24.430 16.341 10.261 1.00 59.32 C ATOM 897 O PRO B 50 24.374 17.141 11.193 1.00 58.46 O ATOM 898 CB PRO B 50 22.914 14.336 9.937 1.00 58.31 C ATOM 899 CG PRO B 50 21.835 13.997 8.970 1.00 56.74 C ATOM 900 CD PRO B 50 22.064 14.851 7.749 1.00 57.44 C ATOM 0 HA PRO B 50 22.468 16.408 10.079 1.00 60.42 H new ATOM 0 HB2 PRO B 50 23.721 13.822 9.778 1.00 58.31 H new ATOM 0 HB3 PRO B 50 22.648 14.168 10.854 1.00 58.31 H new ATOM 0 HG2 PRO B 50 21.861 13.055 8.741 1.00 56.74 H new ATOM 0 HG3 PRO B 50 20.961 14.172 9.354 1.00 56.74 H new ATOM 0 HD2 PRO B 50 22.420 14.333 7.011 1.00 57.44 H new ATOM 0 HD3 PRO B 50 21.241 15.260 7.438 1.00 57.44 H new ATOM 901 N ILE B 51 25.573 15.908 9.720 1.00 57.42 N ATOM 902 CA ILE B 51 26.881 16.160 10.330 1.00 51.50 C ATOM 903 C ILE B 51 27.232 17.626 10.264 1.00 49.67 C ATOM 904 O ILE B 51 27.748 18.163 11.218 1.00 50.40 O ATOM 905 CB ILE B 51 28.004 15.304 9.708 1.00 52.14 C ATOM 906 CG1 ILE B 51 29.348 15.584 10.357 1.00 54.39 C ATOM 907 CG2 ILE B 51 28.194 15.612 8.240 1.00 56.75 C ATOM 908 CD1 ILE B 51 29.363 15.372 11.849 1.00 58.84 C ATOM 0 H ILE B 51 25.610 15.459 8.987 1.00 57.42 H new ATOM 0 HA ILE B 51 26.808 15.896 11.261 1.00 51.50 H new ATOM 0 HB ILE B 51 27.728 14.384 9.845 1.00 52.14 H new ATOM 0 HG12 ILE B 51 30.018 15.012 9.951 1.00 54.39 H new ATOM 0 HG13 ILE B 51 29.604 16.500 10.167 1.00 54.39 H new ATOM 0 HG21 ILE B 51 28.905 15.058 7.882 1.00 56.75 H new ATOM 0 HG22 ILE B 51 27.370 15.429 7.762 1.00 56.75 H new ATOM 0 HG23 ILE B 51 28.429 16.547 8.133 1.00 56.75 H new ATOM 0 HD11 ILE B 51 30.248 15.568 12.195 1.00 58.84 H new ATOM 0 HD12 ILE B 51 28.715 15.961 12.266 1.00 58.84 H new ATOM 0 HD13 ILE B 51 29.136 14.450 12.047 1.00 58.84 H new ATOM 909 N ASP B 52 26.902 18.274 9.159 1.00 50.79 N ATOM 910 CA ASP B 52 27.089 19.714 9.018 1.00 51.99 C ATOM 911 C ASP B 52 26.143 20.559 9.848 1.00 57.04 C ATOM 912 O ASP B 52 26.461 21.697 10.167 1.00 63.75 O ATOM 913 CB ASP B 52 26.892 20.093 7.579 1.00 52.76 C ATOM 914 CG ASP B 52 27.989 19.552 6.714 1.00 58.94 C ATOM 915 OD1 ASP B 52 27.710 19.243 5.541 1.00 69.56 O ATOM 916 OD2 ASP B 52 29.128 19.422 7.221 1.00 54.83 O ATOM 0 H ASP B 52 26.562 17.894 8.466 1.00 50.79 H new ATOM 0 HA ASP B 52 27.987 19.894 9.338 1.00 51.99 H new ATOM 0 HB2 ASP B 52 26.037 19.756 7.268 1.00 52.76 H new ATOM 0 HB3 ASP B 52 26.862 21.059 7.499 1.00 52.76 H new ATOM 917 N ALA B 53 24.972 20.009 10.175 1.00 61.56 N ATOM 918 CA ALA B 53 23.985 20.671 11.050 1.00 55.42 C ATOM 919 C ALA B 53 24.376 20.556 12.525 1.00 52.01 C ATOM 920 O ALA B 53 24.148 21.487 13.288 1.00 65.16 O ATOM 921 CB ALA B 53 22.597 20.081 10.848 1.00 51.58 C ATOM 0 H ALA B 53 24.722 19.235 9.896 1.00 61.56 H new ATOM 0 HA ALA B 53 23.973 21.609 10.805 1.00 55.42 H new ATOM 0 HB1 ALA B 53 21.966 20.530 11.432 1.00 51.58 H new ATOM 0 HB2 ALA B 53 22.325 20.202 9.925 1.00 51.58 H new ATOM 0 HB3 ALA B 53 22.614 19.134 11.058 1.00 51.58 H new ATOM 922 N LEU B 54 24.934 19.423 12.934 1.00 46.08 N ATOM 923 CA LEU B 54 25.489 19.308 14.269 1.00 43.40 C ATOM 924 C LEU B 54 26.691 20.252 14.401 1.00 45.62 C ATOM 925 O LEU B 54 26.867 20.939 15.436 1.00 43.42 O ATOM 926 CB LEU B 54 25.893 17.869 14.564 1.00 40.30 C ATOM 927 CG LEU B 54 26.764 17.660 15.790 1.00 40.53 C ATOM 928 CD1 LEU B 54 26.075 18.030 17.086 1.00 41.20 C ATOM 929 CD2 LEU B 54 27.133 16.214 15.847 1.00 42.04 C ATOM 0 H LEU B 54 25.000 18.713 12.453 1.00 46.08 H new ATOM 0 HA LEU B 54 24.814 19.561 14.918 1.00 43.40 H new ATOM 0 HB2 LEU B 54 25.086 17.340 14.668 1.00 40.30 H new ATOM 0 HB3 LEU B 54 26.364 17.519 13.791 1.00 40.30 H new ATOM 0 HG LEU B 54 27.537 18.240 15.704 1.00 40.53 H new ATOM 0 HD11 LEU B 54 26.679 17.875 17.829 1.00 41.20 H new ATOM 0 HD12 LEU B 54 25.824 18.967 17.063 1.00 41.20 H new ATOM 0 HD13 LEU B 54 25.280 17.485 17.197 1.00 41.20 H new ATOM 0 HD21 LEU B 54 27.691 16.053 16.624 1.00 42.04 H new ATOM 0 HD22 LEU B 54 26.328 15.677 15.911 1.00 42.04 H new ATOM 0 HD23 LEU B 54 27.620 15.972 15.044 1.00 42.04 H new ATOM 930 N TYR B 55 27.487 20.337 13.338 1.00 45.47 N ATOM 931 CA TYR B 55 28.678 21.172 13.360 1.00 46.24 C ATOM 932 C TYR B 55 28.256 22.646 13.547 1.00 43.93 C ATOM 933 O TYR B 55 28.698 23.293 14.491 1.00 39.76 O ATOM 934 CB TYR B 55 29.535 20.974 12.101 1.00 45.44 C ATOM 935 CG TYR B 55 30.859 21.707 12.172 1.00 46.64 C ATOM 936 CD1 TYR B 55 31.009 22.959 11.570 1.00 44.19 C ATOM 937 CD2 TYR B 55 31.947 21.174 12.859 1.00 45.56 C ATOM 938 CE1 TYR B 55 32.182 23.660 11.661 1.00 41.06 C ATOM 939 CE2 TYR B 55 33.134 21.882 12.949 1.00 43.45 C ATOM 940 CZ TYR B 55 33.229 23.129 12.346 1.00 42.20 C ATOM 941 OH TYR B 55 34.387 23.860 12.410 1.00 46.67 O ATOM 0 H TYR B 55 27.354 19.920 12.598 1.00 45.47 H new ATOM 0 HA TYR B 55 29.237 20.909 14.108 1.00 46.24 H new ATOM 0 HB2 TYR B 55 29.701 20.027 11.973 1.00 45.44 H new ATOM 0 HB3 TYR B 55 29.040 21.283 11.326 1.00 45.44 H new ATOM 0 HD1 TYR B 55 30.296 23.324 11.097 1.00 44.19 H new ATOM 0 HD2 TYR B 55 31.876 20.338 13.260 1.00 45.56 H new ATOM 0 HE1 TYR B 55 32.262 24.494 11.257 1.00 41.06 H new ATOM 0 HE2 TYR B 55 33.860 21.526 13.409 1.00 43.45 H new ATOM 0 HH TYR B 55 34.309 24.458 12.995 1.00 46.67 H new ATOM 942 N PHE B 56 27.374 23.138 12.681 1.00 44.27 N ATOM 943 CA PHE B 56 26.803 24.483 12.809 1.00 45.25 C ATOM 944 C PHE B 56 26.264 24.779 14.202 1.00 43.06 C ATOM 945 O PHE B 56 26.469 25.876 14.730 1.00 40.79 O ATOM 946 CB PHE B 56 25.678 24.712 11.801 1.00 45.71 C ATOM 947 CG PHE B 56 25.225 26.161 11.721 1.00 50.98 C ATOM 948 CD1 PHE B 56 25.874 27.059 10.879 1.00 53.04 C ATOM 949 CD2 PHE B 56 24.159 26.631 12.499 1.00 51.42 C ATOM 950 CE1 PHE B 56 25.465 28.382 10.799 1.00 53.91 C ATOM 951 CE2 PHE B 56 23.736 27.959 12.413 1.00 50.81 C ATOM 952 CZ PHE B 56 24.391 28.831 11.562 1.00 54.32 C ATOM 0 H PHE B 56 27.087 22.701 11.998 1.00 44.27 H new ATOM 0 HA PHE B 56 27.542 25.086 12.632 1.00 45.25 H new ATOM 0 HB2 PHE B 56 25.975 24.424 10.924 1.00 45.71 H new ATOM 0 HB3 PHE B 56 24.920 24.156 12.040 1.00 45.71 H new ATOM 0 HD1 PHE B 56 26.591 26.768 10.363 1.00 53.04 H new ATOM 0 HD2 PHE B 56 23.726 26.050 13.082 1.00 51.42 H new ATOM 0 HE1 PHE B 56 25.910 28.971 10.234 1.00 53.91 H new ATOM 0 HE2 PHE B 56 23.018 28.255 12.925 1.00 50.81 H new ATOM 0 HZ PHE B 56 24.114 29.717 11.500 1.00 54.32 H new ATOM 953 N SER B 57 25.563 23.807 14.770 1.00 34.26 N ATOM 954 CA SER B 57 25.018 23.940 16.094 1.00 31.09 C ATOM 955 C SER B 57 26.134 24.149 17.114 1.00 31.27 C ATOM 956 O SER B 57 26.086 25.103 17.880 1.00 32.24 O ATOM 957 CB SER B 57 24.192 22.711 16.436 1.00 30.63 C ATOM 958 OG SER B 57 23.020 22.717 15.651 1.00 28.04 O ATOM 0 H SER B 57 25.394 23.054 14.391 1.00 34.26 H new ATOM 0 HA SER B 57 24.440 24.719 16.122 1.00 31.09 H new ATOM 0 HB2 SER B 57 24.704 21.905 16.268 1.00 30.63 H new ATOM 0 HB3 SER B 57 23.964 22.711 17.379 1.00 30.63 H new ATOM 0 HG SER B 57 23.184 22.379 14.900 1.00 28.04 H new ATOM 959 N VAL B 58 27.128 23.270 17.133 1.00 31.91 N ATOM 960 CA VAL B 58 28.216 23.347 18.108 1.00 31.22 C ATOM 961 C VAL B 58 29.049 24.624 17.994 1.00 33.20 C ATOM 962 O VAL B 58 29.447 25.205 19.008 1.00 34.97 O ATOM 963 CB VAL B 58 29.158 22.143 17.991 1.00 33.04 C ATOM 964 CG1 VAL B 58 30.354 22.277 18.923 1.00 35.19 C ATOM 965 CG2 VAL B 58 28.445 20.858 18.346 1.00 36.33 C ATOM 0 H VAL B 58 27.194 22.612 16.583 1.00 31.91 H new ATOM 0 HA VAL B 58 27.776 23.350 18.973 1.00 31.22 H new ATOM 0 HB VAL B 58 29.458 22.120 17.069 1.00 33.04 H new ATOM 0 HG11 VAL B 58 30.929 21.502 18.825 1.00 35.19 H new ATOM 0 HG12 VAL B 58 30.852 23.079 18.698 1.00 35.19 H new ATOM 0 HG13 VAL B 58 30.045 22.336 19.840 1.00 35.19 H new ATOM 0 HG21 VAL B 58 29.061 20.113 18.264 1.00 36.33 H new ATOM 0 HG22 VAL B 58 28.120 20.910 19.258 1.00 36.33 H new ATOM 0 HG23 VAL B 58 27.697 20.726 17.743 1.00 36.33 H new ATOM 966 N VAL B 59 29.357 25.043 16.775 1.00 32.61 N ATOM 967 CA VAL B 59 30.225 26.189 16.593 1.00 30.10 C ATOM 968 C VAL B 59 29.460 27.471 16.805 1.00 29.60 C ATOM 969 O VAL B 59 30.045 28.537 17.033 1.00 29.49 O ATOM 970 CB VAL B 59 30.985 26.185 15.211 1.00 32.29 C ATOM 971 CG1 VAL B 59 31.869 24.954 15.053 1.00 31.26 C ATOM 972 CG2 VAL B 59 30.050 26.299 14.010 1.00 33.71 C ATOM 0 H VAL B 59 29.076 24.680 16.048 1.00 32.61 H new ATOM 0 HA VAL B 59 30.917 26.126 17.269 1.00 30.10 H new ATOM 0 HB VAL B 59 31.543 26.978 15.227 1.00 32.29 H new ATOM 0 HG11 VAL B 59 32.319 24.986 14.194 1.00 31.26 H new ATOM 0 HG12 VAL B 59 32.530 24.937 15.763 1.00 31.26 H new ATOM 0 HG13 VAL B 59 31.322 24.154 15.101 1.00 31.26 H new ATOM 0 HG21 VAL B 59 30.571 26.291 13.192 1.00 33.71 H new ATOM 0 HG22 VAL B 59 29.434 25.550 14.007 1.00 33.71 H new ATOM 0 HG23 VAL B 59 29.550 27.128 14.067 1.00 33.71 H new ATOM 973 N THR B 60 28.151 27.404 16.663 1.00 29.35 N ATOM 974 CA THR B 60 27.328 28.538 16.966 1.00 27.90 C ATOM 975 C THR B 60 27.329 28.667 18.474 1.00 28.22 C ATOM 976 O THR B 60 27.608 29.718 19.007 1.00 33.53 O ATOM 977 CB THR B 60 25.891 28.318 16.451 1.00 31.69 C ATOM 978 OG1 THR B 60 25.895 28.283 15.015 1.00 35.23 O ATOM 979 CG2 THR B 60 24.942 29.442 16.926 1.00 29.41 C ATOM 0 H THR B 60 27.725 26.708 16.392 1.00 29.35 H new ATOM 0 HA THR B 60 27.666 29.341 16.539 1.00 27.90 H new ATOM 0 HB THR B 60 25.571 27.475 16.809 1.00 31.69 H new ATOM 0 HG1 THR B 60 26.148 27.526 14.754 1.00 35.23 H new ATOM 0 HG21 THR B 60 24.048 29.276 16.587 1.00 29.41 H new ATOM 0 HG22 THR B 60 24.921 29.460 17.896 1.00 29.41 H new ATOM 0 HG23 THR B 60 25.260 30.296 16.594 1.00 29.41 H new ATOM 980 N LEU B 61 26.990 27.591 19.185 1.00 29.86 N ATOM 981 CA LEU B 61 26.801 27.659 20.655 1.00 30.03 C ATOM 982 C LEU B 61 28.067 27.816 21.486 1.00 29.98 C ATOM 983 O LEU B 61 27.981 28.284 22.594 1.00 30.87 O ATOM 984 CB LEU B 61 25.983 26.475 21.164 1.00 30.62 C ATOM 985 CG LEU B 61 24.529 26.420 20.660 1.00 33.91 C ATOM 986 CD1 LEU B 61 23.785 25.270 21.314 1.00 35.41 C ATOM 987 CD2 LEU B 61 23.753 27.691 20.965 1.00 34.04 C ATOM 0 H LEU B 61 26.863 26.811 18.846 1.00 29.86 H new ATOM 0 HA LEU B 61 26.313 28.487 20.784 1.00 30.03 H new ATOM 0 HB2 LEU B 61 26.432 25.655 20.905 1.00 30.62 H new ATOM 0 HB3 LEU B 61 25.974 26.499 22.134 1.00 30.62 H new ATOM 0 HG LEU B 61 24.586 26.305 19.698 1.00 33.91 H new ATOM 0 HD11 LEU B 61 22.872 25.248 20.988 1.00 35.41 H new ATOM 0 HD12 LEU B 61 24.226 24.434 21.097 1.00 35.41 H new ATOM 0 HD13 LEU B 61 23.781 25.392 22.276 1.00 35.41 H new ATOM 0 HD21 LEU B 61 22.847 27.606 20.629 1.00 34.04 H new ATOM 0 HD22 LEU B 61 23.729 27.834 21.924 1.00 34.04 H new ATOM 0 HD23 LEU B 61 24.187 28.446 20.537 1.00 34.04 H new ATOM 988 N THR B 62 29.222 27.420 20.959 1.00 30.41 N ATOM 989 CA THR B 62 30.528 27.658 21.613 1.00 29.30 C ATOM 990 C THR B 62 31.111 29.010 21.184 1.00 27.39 C ATOM 991 O THR B 62 32.196 29.393 21.625 1.00 28.51 O ATOM 992 CB THR B 62 31.533 26.527 21.297 1.00 29.91 C ATOM 993 OG1 THR B 62 31.690 26.383 19.871 1.00 29.04 O ATOM 994 CG2 THR B 62 31.034 25.194 21.914 1.00 29.60 C ATOM 0 H THR B 62 29.280 27.003 20.209 1.00 30.41 H new ATOM 0 HA THR B 62 30.375 27.669 22.571 1.00 29.30 H new ATOM 0 HB THR B 62 32.394 26.754 21.683 1.00 29.91 H new ATOM 0 HG1 THR B 62 31.013 26.002 19.551 1.00 29.04 H new ATOM 0 HG21 THR B 62 31.667 24.487 21.713 1.00 29.60 H new ATOM 0 HG22 THR B 62 30.954 25.292 22.876 1.00 29.60 H new ATOM 0 HG23 THR B 62 30.168 24.968 21.539 1.00 29.60 H new ATOM 995 N THR B 63 30.366 29.708 20.322 1.00 27.00 N ATOM 996 CA THR B 63 30.665 31.057 19.844 1.00 26.82 C ATOM 997 C THR B 63 31.909 31.133 18.988 1.00 26.94 C ATOM 998 O THR B 63 32.502 32.210 18.857 1.00 29.56 O ATOM 999 CB THR B 63 30.771 32.096 20.971 1.00 26.32 C ATOM 1000 OG1 THR B 63 31.992 31.902 21.721 1.00 24.52 O ATOM 1001 CG2 THR B 63 29.565 32.041 21.865 1.00 26.38 C ATOM 0 H THR B 63 29.640 29.391 19.986 1.00 27.00 H new ATOM 0 HA THR B 63 29.898 31.276 19.292 1.00 26.82 H new ATOM 0 HB THR B 63 30.800 32.981 20.574 1.00 26.32 H new ATOM 0 HG1 THR B 63 32.338 31.167 21.507 1.00 24.52 H new ATOM 0 HG21 THR B 63 29.653 32.704 22.568 1.00 26.38 H new ATOM 0 HG22 THR B 63 28.768 32.226 21.345 1.00 26.38 H new ATOM 0 HG23 THR B 63 29.495 31.158 22.261 1.00 26.38 H new ATOM 1002 N VAL B 64 32.295 30.012 18.405 1.00 27.91 N ATOM 1003 CA VAL B 64 33.406 29.931 17.470 1.00 29.33 C ATOM 1004 C VAL B 64 33.010 30.618 16.130 1.00 31.37 C ATOM 1005 O VAL B 64 33.662 31.564 15.667 1.00 31.60 O ATOM 1006 CB VAL B 64 33.790 28.457 17.222 1.00 28.91 C ATOM 1007 CG1 VAL B 64 34.811 28.359 16.119 1.00 30.03 C ATOM 1008 CG2 VAL B 64 34.322 27.808 18.479 1.00 28.04 C ATOM 0 H VAL B 64 31.909 29.256 18.544 1.00 27.91 H new ATOM 0 HA VAL B 64 34.174 30.388 17.848 1.00 29.33 H new ATOM 0 HB VAL B 64 32.987 27.983 16.955 1.00 28.91 H new ATOM 0 HG11 VAL B 64 35.043 27.428 15.974 1.00 30.03 H new ATOM 0 HG12 VAL B 64 34.442 28.731 15.303 1.00 30.03 H new ATOM 0 HG13 VAL B 64 35.606 28.855 16.369 1.00 30.03 H new ATOM 0 HG21 VAL B 64 34.554 26.885 18.293 1.00 28.04 H new ATOM 0 HG22 VAL B 64 35.111 28.285 18.781 1.00 28.04 H new ATOM 0 HG23 VAL B 64 33.643 27.837 19.171 1.00 28.04 H new ATOM 1009 N GLY B 65 31.932 30.140 15.529 1.00 36.82 N ATOM 1010 CA GLY B 65 31.242 30.802 14.445 1.00 41.38 C ATOM 1011 C GLY B 65 31.950 30.837 13.128 1.00 44.09 C ATOM 1012 O GLY B 65 31.936 31.871 12.449 1.00 53.26 O ATOM 0 H GLY B 65 31.571 29.392 15.752 1.00 36.82 H new ATOM 0 HA2 GLY B 65 30.385 30.365 14.318 1.00 41.38 H new ATOM 0 HA3 GLY B 65 31.057 31.715 14.715 1.00 41.38 H new ATOM 1013 N GLU B 66 32.580 29.745 12.734 1.00 47.62 N ATOM 1014 CA GLU B 66 33.419 29.822 11.531 1.00 54.77 C ATOM 1015 C GLU B 66 32.708 29.468 10.242 1.00 52.10 C ATOM 1016 O GLU B 66 33.260 29.607 9.153 1.00 50.90 O ATOM 1017 CB GLU B 66 34.731 29.049 11.692 1.00 57.27 C ATOM 1018 CG GLU B 66 34.702 27.616 11.229 1.00 59.02 C ATOM 1019 CD GLU B 66 34.373 26.696 12.342 1.00 58.76 C ATOM 1020 OE1 GLU B 66 35.276 25.915 12.704 1.00 61.76 O ATOM 1021 OE2 GLU B 66 33.232 26.788 12.834 1.00 56.54 O ATOM 0 H GLU B 66 32.546 28.978 13.122 1.00 47.62 H new ATOM 0 HA GLU B 66 33.638 30.763 11.444 1.00 54.77 H new ATOM 0 HB2 GLU B 66 35.426 29.517 11.202 1.00 57.27 H new ATOM 0 HB3 GLU B 66 34.984 29.065 12.628 1.00 57.27 H new ATOM 0 HG2 GLU B 66 34.047 27.516 10.520 1.00 59.02 H new ATOM 0 HG3 GLU B 66 35.564 27.378 10.854 1.00 59.02 H new ATOM 1022 N THR B 67 31.472 29.024 10.374 1.00 57.90 N ATOM 1023 CA THR B 67 30.640 28.701 9.217 1.00 59.08 C ATOM 1024 C THR B 67 29.986 29.970 8.717 1.00 57.94 C ATOM 1025 O THR B 67 29.957 30.971 9.431 1.00 62.07 O ATOM 1026 CB THR B 67 29.526 27.704 9.615 1.00 58.06 C ATOM 1027 OG1 THR B 67 28.766 28.253 10.695 1.00 62.36 O ATOM 1028 CG2 THR B 67 30.119 26.390 10.074 1.00 58.36 C ATOM 0 H THR B 67 31.087 28.899 11.133 1.00 57.90 H new ATOM 0 HA THR B 67 31.198 28.304 8.530 1.00 59.08 H new ATOM 0 HB THR B 67 28.964 27.549 8.840 1.00 58.06 H new ATOM 0 HG1 THR B 67 27.984 27.947 10.671 1.00 62.36 H new ATOM 0 HG21 THR B 67 29.405 25.780 10.318 1.00 58.36 H new ATOM 0 HG22 THR B 67 30.643 26.002 9.355 1.00 58.36 H new ATOM 0 HG23 THR B 67 30.690 26.543 10.843 1.00 58.36 H new ATOM 1029 N PRO B 68 29.415 29.930 7.512 1.00 58.41 N ATOM 1030 CA PRO B 68 28.494 30.986 7.077 1.00 58.83 C ATOM 1031 C PRO B 68 27.159 31.021 7.875 1.00 58.00 C ATOM 1032 O PRO B 68 26.787 30.018 8.492 1.00 61.39 O ATOM 1033 CB PRO B 68 28.188 30.605 5.629 1.00 59.91 C ATOM 1034 CG PRO B 68 29.229 29.624 5.242 1.00 59.99 C ATOM 1035 CD PRO B 68 29.553 28.888 6.495 1.00 59.00 C ATOM 0 HA PRO B 68 28.892 31.861 7.205 1.00 58.83 H new ATOM 0 HB2 PRO B 68 27.301 30.221 5.550 1.00 59.91 H new ATOM 0 HB3 PRO B 68 28.212 31.384 5.052 1.00 59.91 H new ATOM 0 HG2 PRO B 68 28.905 29.021 4.555 1.00 59.99 H new ATOM 0 HG3 PRO B 68 30.013 30.068 4.883 1.00 59.99 H new ATOM 0 HD2 PRO B 68 28.944 28.149 6.649 1.00 59.00 H new ATOM 0 HD3 PRO B 68 30.449 28.517 6.476 1.00 59.00 H new ATOM 1036 N PRO B 69 26.438 32.165 7.859 1.00 49.55 N ATOM 1037 CA PRO B 69 25.157 32.245 8.562 1.00 50.13 C ATOM 1038 C PRO B 69 23.965 31.598 7.782 1.00 51.00 C ATOM 1039 O PRO B 69 24.058 31.407 6.558 1.00 48.49 O ATOM 1040 CB PRO B 69 24.942 33.738 8.699 1.00 45.13 C ATOM 1041 CG PRO B 69 25.583 34.292 7.481 1.00 46.90 C ATOM 1042 CD PRO B 69 26.789 33.438 7.217 1.00 47.83 C ATOM 0 HA PRO B 69 25.184 31.757 9.400 1.00 50.13 H new ATOM 0 HB2 PRO B 69 23.999 33.961 8.739 1.00 45.13 H new ATOM 0 HB3 PRO B 69 25.351 34.085 9.507 1.00 45.13 H new ATOM 0 HG2 PRO B 69 24.972 34.271 6.728 1.00 46.90 H new ATOM 0 HG3 PRO B 69 25.837 35.219 7.614 1.00 46.90 H new ATOM 0 HD2 PRO B 69 26.951 33.329 6.267 1.00 47.83 H new ATOM 0 HD3 PRO B 69 27.593 33.824 7.599 1.00 47.83 H new ATOM 1043 N PRO B 70 22.858 31.285 8.484 1.00 47.28 N ATOM 1044 CA PRO B 70 21.697 30.624 7.886 1.00 49.87 C ATOM 1045 C PRO B 70 21.174 31.475 6.761 1.00 49.52 C ATOM 1046 O PRO B 70 21.358 32.670 6.817 1.00 46.13 O ATOM 1047 CB PRO B 70 20.674 30.581 9.036 1.00 49.15 C ATOM 1048 CG PRO B 70 21.442 30.862 10.275 1.00 50.20 C ATOM 1049 CD PRO B 70 22.568 31.753 9.845 1.00 49.87 C ATOM 0 HA PRO B 70 21.891 29.745 7.524 1.00 49.87 H new ATOM 0 HB2 PRO B 70 19.975 31.240 8.904 1.00 49.15 H new ATOM 0 HB3 PRO B 70 20.242 29.714 9.084 1.00 49.15 H new ATOM 0 HG2 PRO B 70 20.886 31.296 10.941 1.00 50.20 H new ATOM 0 HG3 PRO B 70 21.776 30.043 10.674 1.00 50.20 H new ATOM 0 HD2 PRO B 70 22.310 32.688 9.856 1.00 49.87 H new ATOM 0 HD3 PRO B 70 23.339 31.664 10.427 1.00 49.87 H new ATOM 1050 N GLN B 71 20.564 30.877 5.738 1.00 54.06 N ATOM 1051 CA GLN B 71 20.014 31.652 4.602 1.00 57.22 C ATOM 1052 C GLN B 71 18.569 32.024 4.814 1.00 53.89 C ATOM 1053 O GLN B 71 18.141 33.063 4.371 1.00 59.06 O ATOM 1054 CB GLN B 71 20.094 30.881 3.278 1.00 60.47 C ATOM 0 H GLN B 71 20.454 30.026 5.675 1.00 54.06 H new ATOM 0 HA GLN B 71 20.563 32.451 4.556 1.00 57.22 H new ATOM 1055 N THR B 72 17.815 31.199 5.520 1.00 55.77 N ATOM 1056 CA THR B 72 16.374 31.445 5.646 1.00 55.18 C ATOM 1057 C THR B 72 16.161 32.419 6.772 1.00 53.96 C ATOM 1058 O THR B 72 16.856 32.337 7.761 1.00 63.29 O ATOM 1059 CB THR B 72 15.582 30.163 5.968 1.00 55.20 C ATOM 1060 OG1 THR B 72 15.870 29.716 7.300 1.00 53.66 O ATOM 1061 CG2 THR B 72 15.926 29.058 4.980 1.00 57.06 C ATOM 0 H THR B 72 18.104 30.501 5.930 1.00 55.77 H new ATOM 0 HA THR B 72 16.056 31.788 4.796 1.00 55.18 H new ATOM 0 HB THR B 72 14.637 30.370 5.897 1.00 55.20 H new ATOM 0 HG1 THR B 72 16.635 29.369 7.320 1.00 53.66 H new ATOM 0 HG21 THR B 72 15.419 28.260 5.197 1.00 57.06 H new ATOM 0 HG22 THR B 72 15.704 29.347 4.081 1.00 57.06 H new ATOM 0 HG23 THR B 72 16.875 28.862 5.031 1.00 57.06 H new ATOM 1062 N ASP B 73 15.205 33.329 6.640 1.00 54.40 N ATOM 1063 CA ASP B 73 14.854 34.206 7.753 1.00 53.88 C ATOM 1064 C ASP B 73 14.389 33.350 8.935 1.00 50.46 C ATOM 1065 O ASP B 73 14.489 33.733 10.089 1.00 52.76 O ATOM 1066 CB ASP B 73 13.773 35.223 7.354 1.00 60.40 C ATOM 1067 CG ASP B 73 14.294 36.310 6.400 1.00 68.92 C ATOM 1068 OD1 ASP B 73 15.486 36.273 6.005 1.00 72.68 O ATOM 1069 OD2 ASP B 73 13.505 37.214 6.023 1.00 72.25 O ATOM 0 H ASP B 73 14.750 33.456 5.922 1.00 54.40 H new ATOM 0 HA ASP B 73 15.639 34.716 8.009 1.00 53.88 H new ATOM 0 HB2 ASP B 73 13.036 34.755 6.931 1.00 60.40 H new ATOM 0 HB3 ASP B 73 13.421 35.644 8.154 1.00 60.40 H new ATOM 1070 N PHE B 74 13.881 32.167 8.659 1.00 50.08 N ATOM 1071 CA PHE B 74 13.450 31.296 9.729 1.00 52.96 C ATOM 1072 C PHE B 74 14.678 30.813 10.494 1.00 55.39 C ATOM 1073 O PHE B 74 14.698 30.830 11.730 1.00 59.16 O ATOM 1074 CB PHE B 74 12.647 30.131 9.133 1.00 54.13 C ATOM 1075 CG PHE B 74 11.922 29.289 10.146 1.00 49.09 C ATOM 1076 CD1 PHE B 74 11.687 27.957 9.894 1.00 50.99 C ATOM 1077 CD2 PHE B 74 11.461 29.833 11.319 1.00 46.38 C ATOM 1078 CE1 PHE B 74 11.004 27.180 10.800 1.00 51.66 C ATOM 1079 CE2 PHE B 74 10.787 29.066 12.221 1.00 46.75 C ATOM 1080 CZ PHE B 74 10.542 27.743 11.961 1.00 46.88 C ATOM 0 H PHE B 74 13.777 31.851 7.866 1.00 50.08 H new ATOM 0 HA PHE B 74 12.874 31.766 10.352 1.00 52.96 H new ATOM 0 HB2 PHE B 74 12.001 30.487 8.504 1.00 54.13 H new ATOM 0 HB3 PHE B 74 13.250 29.562 8.629 1.00 54.13 H new ATOM 0 HD1 PHE B 74 11.994 27.578 9.102 1.00 50.99 H new ATOM 0 HD2 PHE B 74 11.610 30.733 11.500 1.00 46.38 H new ATOM 0 HE1 PHE B 74 10.857 26.278 10.626 1.00 51.66 H new ATOM 0 HE2 PHE B 74 10.491 29.443 13.018 1.00 46.75 H new ATOM 0 HZ PHE B 74 10.064 27.229 12.571 1.00 46.88 H new ATOM 1081 N GLY B 75 15.708 30.409 9.750 1.00 54.38 N ATOM 1082 CA GLY B 75 16.996 30.036 10.345 1.00 52.78 C ATOM 1083 C GLY B 75 17.574 31.113 11.265 1.00 45.12 C ATOM 1084 O GLY B 75 18.131 30.808 12.334 1.00 42.71 O ATOM 0 H GLY B 75 15.682 30.343 8.893 1.00 54.38 H new ATOM 0 HA2 GLY B 75 16.886 29.214 10.849 1.00 52.78 H new ATOM 0 HA3 GLY B 75 17.631 29.851 9.636 1.00 52.78 H new ATOM 1085 N LYS B 76 17.437 32.367 10.836 1.00 40.34 N ATOM 1086 CA LYS B 76 18.017 33.481 11.534 1.00 36.14 C ATOM 1087 C LYS B 76 17.324 33.651 12.852 1.00 38.21 C ATOM 1088 O LYS B 76 17.958 33.743 13.892 1.00 43.31 O ATOM 1089 CB LYS B 76 17.936 34.731 10.706 1.00 38.17 C ATOM 1090 CG LYS B 76 18.958 34.710 9.620 1.00 43.15 C ATOM 1091 CD LYS B 76 18.918 35.957 8.757 1.00 53.10 C ATOM 1092 CE LYS B 76 19.731 35.778 7.470 1.00 60.65 C ATOM 1093 NZ LYS B 76 18.862 36.041 6.275 1.00 64.39 N ATOM 0 H LYS B 76 17.001 32.584 10.127 1.00 40.34 H new ATOM 0 HA LYS B 76 18.957 33.307 11.695 1.00 36.14 H new ATOM 0 HB2 LYS B 76 17.049 34.813 10.321 1.00 38.17 H new ATOM 0 HB3 LYS B 76 18.073 35.508 11.270 1.00 38.17 H new ATOM 0 HG2 LYS B 76 19.840 34.621 10.013 1.00 43.15 H new ATOM 0 HG3 LYS B 76 18.816 33.930 9.062 1.00 43.15 H new ATOM 0 HD2 LYS B 76 17.998 36.167 8.533 1.00 53.10 H new ATOM 0 HD3 LYS B 76 19.267 36.710 9.259 1.00 53.10 H new ATOM 0 HE2 LYS B 76 20.488 36.385 7.469 1.00 60.65 H new ATOM 0 HE3 LYS B 76 20.089 34.878 7.427 1.00 60.65 H new ATOM 0 HZ1 LYS B 76 19.340 35.936 5.531 1.00 64.39 H new ATOM 0 HZ2 LYS B 76 18.180 35.470 6.272 1.00 64.39 H new ATOM 0 HZ3 LYS B 76 18.551 36.874 6.312 1.00 64.39 H new ATOM 1094 N ILE B 77 16.011 33.638 12.825 1.00 38.61 N ATOM 1095 CA ILE B 77 15.237 33.811 14.033 1.00 38.70 C ATOM 1096 C ILE B 77 15.478 32.690 15.040 1.00 35.28 C ATOM 1097 O ILE B 77 15.666 32.938 16.216 1.00 31.42 O ATOM 1098 CB ILE B 77 13.737 33.928 13.683 1.00 45.10 C ATOM 1099 CG1 ILE B 77 13.484 35.241 12.898 1.00 45.95 C ATOM 1100 CG2 ILE B 77 12.888 33.891 14.955 1.00 46.96 C ATOM 1101 CD1 ILE B 77 12.175 35.285 12.131 1.00 46.64 C ATOM 0 H ILE B 77 15.543 33.529 12.112 1.00 38.61 H new ATOM 0 HA ILE B 77 15.530 34.632 14.458 1.00 38.70 H new ATOM 0 HB ILE B 77 13.482 33.175 13.127 1.00 45.10 H new ATOM 0 HG12 ILE B 77 13.504 35.984 13.521 1.00 45.95 H new ATOM 0 HG13 ILE B 77 14.214 35.375 12.274 1.00 45.95 H new ATOM 0 HG21 ILE B 77 11.950 33.965 14.720 1.00 46.96 H new ATOM 0 HG22 ILE B 77 13.039 33.054 15.421 1.00 46.96 H new ATOM 0 HG23 ILE B 77 13.136 34.631 15.532 1.00 46.96 H new ATOM 0 HD11 ILE B 77 12.097 36.136 11.672 1.00 46.64 H new ATOM 0 HD12 ILE B 77 12.156 34.564 11.482 1.00 46.64 H new ATOM 0 HD13 ILE B 77 11.434 35.183 12.749 1.00 46.64 H new ATOM 1102 N PHE B 78 15.499 31.452 14.576 1.00 38.40 N ATOM 1103 CA PHE B 78 15.777 30.317 15.479 1.00 38.49 C ATOM 1104 C PHE B 78 17.181 30.436 16.040 1.00 38.76 C ATOM 1105 O PHE B 78 17.401 30.241 17.243 1.00 40.87 O ATOM 1106 CB PHE B 78 15.594 28.960 14.750 1.00 40.71 C ATOM 1107 CG PHE B 78 16.113 27.728 15.523 1.00 36.37 C ATOM 1108 CD1 PHE B 78 17.354 27.214 15.267 1.00 31.36 C ATOM 1109 CD2 PHE B 78 15.324 27.097 16.471 1.00 35.34 C ATOM 1110 CE1 PHE B 78 17.814 26.096 15.939 1.00 33.82 C ATOM 1111 CE2 PHE B 78 15.786 25.979 17.160 1.00 36.77 C ATOM 1112 CZ PHE B 78 17.039 25.487 16.896 1.00 33.11 C ATOM 0 H PHE B 78 15.359 31.237 13.755 1.00 38.40 H new ATOM 0 HA PHE B 78 15.140 30.346 16.210 1.00 38.49 H new ATOM 0 HB2 PHE B 78 14.651 28.834 14.563 1.00 40.71 H new ATOM 0 HB3 PHE B 78 16.050 29.004 13.895 1.00 40.71 H new ATOM 0 HD1 PHE B 78 17.897 27.622 14.632 1.00 31.36 H new ATOM 0 HD2 PHE B 78 14.472 27.425 16.650 1.00 35.34 H new ATOM 0 HE1 PHE B 78 18.656 25.753 15.741 1.00 33.82 H new ATOM 0 HE2 PHE B 78 15.247 25.567 17.797 1.00 36.77 H new ATOM 0 HZ PHE B 78 17.361 24.748 17.360 1.00 33.11 H new ATOM 1113 N THR B 79 18.140 30.759 15.174 1.00 38.82 N ATOM 1114 CA THR B 79 19.525 30.892 15.614 1.00 34.05 C ATOM 1115 C THR B 79 19.686 31.931 16.738 1.00 34.51 C ATOM 1116 O THR B 79 20.383 31.687 17.729 1.00 31.96 O ATOM 1117 CB THR B 79 20.432 31.221 14.428 1.00 34.27 C ATOM 1118 OG1 THR B 79 20.313 30.186 13.445 1.00 33.76 O ATOM 1119 CG2 THR B 79 21.895 31.336 14.863 1.00 33.24 C ATOM 0 H THR B 79 18.011 30.904 14.336 1.00 38.82 H new ATOM 0 HA THR B 79 19.794 30.037 15.985 1.00 34.05 H new ATOM 0 HB THR B 79 20.156 32.074 14.058 1.00 34.27 H new ATOM 0 HG1 THR B 79 19.562 30.239 13.072 1.00 33.76 H new ATOM 0 HG21 THR B 79 22.446 31.545 14.093 1.00 33.24 H new ATOM 0 HG22 THR B 79 21.982 32.041 15.523 1.00 33.24 H new ATOM 0 HG23 THR B 79 22.185 30.495 15.249 1.00 33.24 H new ATOM 1120 N ILE B 80 19.051 33.096 16.564 1.00 35.90 N ATOM 1121 CA ILE B 80 19.096 34.187 17.561 1.00 34.98 C ATOM 1122 C ILE B 80 18.657 33.687 18.957 1.00 38.46 C ATOM 1123 O ILE B 80 19.303 33.958 19.988 1.00 41.78 O ATOM 1124 CB ILE B 80 18.211 35.400 17.120 1.00 32.62 C ATOM 1125 CG1 ILE B 80 18.809 36.082 15.866 1.00 28.91 C ATOM 1126 CG2 ILE B 80 18.044 36.392 18.275 1.00 30.91 C ATOM 1127 CD1 ILE B 80 17.947 37.156 15.258 1.00 27.96 C ATOM 0 H ILE B 80 18.582 33.280 15.867 1.00 35.90 H new ATOM 0 HA ILE B 80 20.017 34.486 17.617 1.00 34.98 H new ATOM 0 HB ILE B 80 17.329 35.072 16.884 1.00 32.62 H new ATOM 0 HG12 ILE B 80 19.667 36.469 16.102 1.00 28.91 H new ATOM 0 HG13 ILE B 80 18.979 35.403 15.194 1.00 28.91 H new ATOM 0 HG21 ILE B 80 17.494 37.137 17.985 1.00 30.91 H new ATOM 0 HG22 ILE B 80 17.617 35.948 19.024 1.00 30.91 H new ATOM 0 HG23 ILE B 80 18.915 36.721 18.548 1.00 30.91 H new ATOM 0 HD11 ILE B 80 18.394 37.529 14.482 1.00 27.96 H new ATOM 0 HD12 ILE B 80 17.096 36.775 14.989 1.00 27.96 H new ATOM 0 HD13 ILE B 80 17.795 37.857 15.911 1.00 27.96 H new ATOM 1128 N LEU B 81 17.573 32.931 18.966 1.00 36.29 N ATOM 1129 CA LEU B 81 16.961 32.462 20.173 1.00 36.29 C ATOM 1130 C LEU B 81 17.716 31.313 20.722 1.00 31.45 C ATOM 1131 O LEU B 81 17.790 31.175 21.918 1.00 29.39 O ATOM 1132 CB LEU B 81 15.544 31.962 19.830 1.00 44.25 C ATOM 1133 CG LEU B 81 14.433 32.372 20.788 1.00 53.60 C ATOM 1134 CD1 LEU B 81 14.776 31.811 22.173 1.00 60.97 C ATOM 1135 CD2 LEU B 81 14.249 33.899 20.820 1.00 50.76 C ATOM 0 H LEU B 81 17.170 32.675 18.251 1.00 36.29 H new ATOM 0 HA LEU B 81 16.944 33.184 20.821 1.00 36.29 H new ATOM 0 HB2 LEU B 81 15.315 32.282 18.943 1.00 44.25 H new ATOM 0 HB3 LEU B 81 15.565 30.993 19.786 1.00 44.25 H new ATOM 0 HG LEU B 81 13.585 32.008 20.488 1.00 53.60 H new ATOM 0 HD11 LEU B 81 14.082 32.059 22.804 1.00 60.97 H new ATOM 0 HD12 LEU B 81 14.838 30.844 22.124 1.00 60.97 H new ATOM 0 HD13 LEU B 81 15.625 32.175 22.468 1.00 60.97 H new ATOM 0 HD21 LEU B 81 13.536 34.126 21.438 1.00 50.76 H new ATOM 0 HD22 LEU B 81 15.074 34.319 21.110 1.00 50.76 H new ATOM 0 HD23 LEU B 81 14.020 34.216 19.932 1.00 50.76 H new ATOM 1136 N TYR B 82 18.186 30.444 19.819 1.00 32.44 N ATOM 1137 CA TYR B 82 18.995 29.219 20.122 1.00 31.93 C ATOM 1138 C TYR B 82 20.295 29.648 20.783 1.00 32.19 C ATOM 1139 O TYR B 82 20.702 29.066 21.767 1.00 32.24 O ATOM 1140 CB TYR B 82 19.297 28.479 18.815 1.00 30.19 C ATOM 1141 CG TYR B 82 19.958 27.106 18.878 1.00 31.69 C ATOM 1142 CD1 TYR B 82 21.090 26.817 18.099 1.00 30.09 C ATOM 1143 CD2 TYR B 82 19.439 26.084 19.656 1.00 33.69 C ATOM 1144 CE1 TYR B 82 21.697 25.591 18.133 1.00 31.25 C ATOM 1145 CE2 TYR B 82 20.050 24.815 19.694 1.00 32.46 C ATOM 1146 CZ TYR B 82 21.172 24.570 18.918 1.00 33.31 C ATOM 1147 OH TYR B 82 21.795 23.301 18.915 1.00 30.87 O ATOM 0 H TYR B 82 18.044 30.544 18.977 1.00 32.44 H new ATOM 0 HA TYR B 82 18.505 28.629 20.716 1.00 31.93 H new ATOM 0 HB2 TYR B 82 18.460 28.379 18.335 1.00 30.19 H new ATOM 0 HB3 TYR B 82 19.865 29.053 18.278 1.00 30.19 H new ATOM 0 HD1 TYR B 82 21.437 27.478 17.544 1.00 30.09 H new ATOM 0 HD2 TYR B 82 18.674 26.238 20.162 1.00 33.69 H new ATOM 0 HE1 TYR B 82 22.464 25.440 17.629 1.00 31.25 H new ATOM 0 HE2 TYR B 82 19.702 24.145 20.237 1.00 32.46 H new ATOM 0 HH TYR B 82 21.348 22.768 19.386 1.00 30.87 H new ATOM 1148 N ILE B 83 20.915 30.698 20.251 1.00 31.24 N ATOM 1149 CA ILE B 83 22.132 31.281 20.856 1.00 29.60 C ATOM 1150 C ILE B 83 21.887 31.781 22.296 1.00 27.84 C ATOM 1151 O ILE B 83 22.616 31.436 23.183 1.00 28.96 O ATOM 1152 CB ILE B 83 22.661 32.453 20.040 1.00 27.26 C ATOM 1153 CG1 ILE B 83 23.290 31.991 18.753 1.00 25.28 C ATOM 1154 CG2 ILE B 83 23.695 33.236 20.819 1.00 29.22 C ATOM 1155 CD1 ILE B 83 23.620 33.148 17.820 1.00 25.95 C ATOM 0 H ILE B 83 20.652 31.096 19.535 1.00 31.24 H new ATOM 0 HA ILE B 83 22.784 30.563 20.869 1.00 29.60 H new ATOM 0 HB ILE B 83 21.898 33.019 19.842 1.00 27.26 H new ATOM 0 HG12 ILE B 83 24.101 31.497 18.951 1.00 25.28 H new ATOM 0 HG13 ILE B 83 22.688 31.378 18.303 1.00 25.28 H new ATOM 0 HG21 ILE B 83 24.016 33.975 20.279 1.00 29.22 H new ATOM 0 HG22 ILE B 83 23.295 33.580 21.633 1.00 29.22 H new ATOM 0 HG23 ILE B 83 24.438 32.655 21.045 1.00 29.22 H new ATOM 0 HD11 ILE B 83 24.022 32.804 17.007 1.00 25.95 H new ATOM 0 HD12 ILE B 83 22.807 33.629 17.600 1.00 25.95 H new ATOM 0 HD13 ILE B 83 24.242 33.750 18.258 1.00 25.95 H new ATOM 1156 N PHE B 84 20.858 32.556 22.541 1.00 25.89 N ATOM 1157 CA PHE B 84 20.598 32.958 23.898 1.00 27.34 C ATOM 1158 C PHE B 84 20.253 31.880 24.923 1.00 29.85 C ATOM 1159 O PHE B 84 20.654 31.982 26.067 1.00 28.44 O ATOM 1160 CB PHE B 84 19.548 34.029 23.895 1.00 28.82 C ATOM 1161 CG PHE B 84 20.120 35.363 23.593 1.00 29.14 C ATOM 1162 CD1 PHE B 84 20.781 36.082 24.586 1.00 29.05 C ATOM 1163 CD2 PHE B 84 20.057 35.879 22.300 1.00 30.91 C ATOM 1164 CE1 PHE B 84 21.357 37.315 24.301 1.00 29.64 C ATOM 1165 CE2 PHE B 84 20.635 37.125 21.993 1.00 32.06 C ATOM 1166 CZ PHE B 84 21.293 37.833 22.999 1.00 30.37 C ATOM 0 H PHE B 84 20.308 32.855 21.951 1.00 25.89 H new ATOM 0 HA PHE B 84 21.460 33.272 24.215 1.00 27.34 H new ATOM 0 HB2 PHE B 84 18.868 33.813 23.238 1.00 28.82 H new ATOM 0 HB3 PHE B 84 19.109 34.054 24.760 1.00 28.82 H new ATOM 0 HD1 PHE B 84 20.838 35.735 25.447 1.00 29.05 H new ATOM 0 HD2 PHE B 84 19.628 35.394 21.632 1.00 30.91 H new ATOM 0 HE1 PHE B 84 21.784 37.796 24.973 1.00 29.64 H new ATOM 0 HE2 PHE B 84 20.579 37.471 21.132 1.00 32.06 H new ATOM 0 HZ PHE B 84 21.691 38.651 22.806 1.00 30.37 H new ATOM 1167 N ILE B 85 19.525 30.842 24.512 1.00 34.53 N ATOM 1168 CA ILE B 85 19.128 29.735 25.409 1.00 36.63 C ATOM 1169 C ILE B 85 20.216 28.659 25.520 1.00 37.89 C ATOM 1170 O ILE B 85 20.461 28.132 26.597 1.00 39.56 O ATOM 1171 CB ILE B 85 17.771 29.081 24.998 1.00 43.21 C ATOM 1172 CG1 ILE B 85 17.850 28.444 23.612 1.00 46.56 C ATOM 1173 CG2 ILE B 85 16.623 30.100 25.002 1.00 45.44 C ATOM 1174 CD1 ILE B 85 16.953 27.229 23.441 1.00 51.45 C ATOM 0 H ILE B 85 19.243 30.753 23.704 1.00 34.53 H new ATOM 0 HA ILE B 85 19.009 30.142 26.282 1.00 36.63 H new ATOM 0 HB ILE B 85 17.593 28.395 25.660 1.00 43.21 H new ATOM 0 HG12 ILE B 85 17.611 29.108 22.946 1.00 46.56 H new ATOM 0 HG13 ILE B 85 18.768 28.185 23.437 1.00 46.56 H new ATOM 0 HG21 ILE B 85 15.798 29.660 24.743 1.00 45.44 H new ATOM 0 HG22 ILE B 85 16.524 30.473 25.892 1.00 45.44 H new ATOM 0 HG23 ILE B 85 16.820 30.812 24.374 1.00 45.44 H new ATOM 0 HD11 ILE B 85 17.053 26.877 22.543 1.00 51.45 H new ATOM 0 HD12 ILE B 85 17.204 26.548 24.085 1.00 51.45 H new ATOM 0 HD13 ILE B 85 16.029 27.486 23.587 1.00 51.45 H new ATOM 1175 N GLY B 86 20.922 28.379 24.427 1.00 34.98 N ATOM 1176 CA GLY B 86 21.997 27.413 24.437 1.00 31.97 C ATOM 1177 C GLY B 86 23.310 27.852 25.069 1.00 29.88 C ATOM 1178 O GLY B 86 23.880 27.117 25.835 1.00 29.33 O ATOM 0 H GLY B 86 20.786 28.748 23.662 1.00 34.98 H new ATOM 0 HA2 GLY B 86 21.687 26.621 24.904 1.00 31.97 H new ATOM 0 HA3 GLY B 86 22.176 27.151 23.520 1.00 31.97 H new ATOM 1179 N ILE B 87 23.817 29.031 24.761 1.00 31.65 N ATOM 1180 CA ILE B 87 25.153 29.393 25.236 1.00 33.40 C ATOM 1181 C ILE B 87 25.377 29.054 26.725 1.00 32.78 C ATOM 1182 O ILE B 87 26.424 28.504 27.090 1.00 29.67 O ATOM 1183 CB ILE B 87 25.513 30.869 24.968 1.00 38.16 C ATOM 1184 CG1 ILE B 87 25.988 31.060 23.513 1.00 41.08 C ATOM 1185 CG2 ILE B 87 26.660 31.323 25.864 1.00 41.53 C ATOM 1186 CD1 ILE B 87 26.587 32.423 23.195 1.00 37.13 C ATOM 0 H ILE B 87 23.420 29.630 24.289 1.00 31.65 H new ATOM 0 HA ILE B 87 25.754 28.842 24.711 1.00 33.40 H new ATOM 0 HB ILE B 87 24.712 31.387 25.144 1.00 38.16 H new ATOM 0 HG12 ILE B 87 26.649 30.379 23.312 1.00 41.08 H new ATOM 0 HG13 ILE B 87 25.235 30.908 22.921 1.00 41.08 H new ATOM 0 HG21 ILE B 87 26.868 32.252 25.678 1.00 41.53 H new ATOM 0 HG22 ILE B 87 26.401 31.230 26.794 1.00 41.53 H new ATOM 0 HG23 ILE B 87 27.442 30.776 25.691 1.00 41.53 H new ATOM 0 HD11 ILE B 87 26.855 32.449 22.263 1.00 37.13 H new ATOM 0 HD12 ILE B 87 25.926 33.114 23.360 1.00 37.13 H new ATOM 0 HD13 ILE B 87 27.362 32.576 23.758 1.00 37.13 H new ATOM 1187 N GLY B 88 24.404 29.379 27.567 1.00 32.31 N ATOM 1188 CA GLY B 88 24.578 29.270 28.996 1.00 32.55 C ATOM 1189 C GLY B 88 24.748 27.834 29.333 1.00 35.60 C ATOM 1190 O GLY B 88 25.538 27.478 30.204 1.00 39.26 O ATOM 0 H GLY B 88 23.631 29.667 27.322 1.00 32.31 H new ATOM 0 HA2 GLY B 88 25.352 29.779 29.282 1.00 32.55 H new ATOM 0 HA3 GLY B 88 23.809 29.638 29.460 1.00 32.55 H new ATOM 1191 N LEU B 89 23.956 27.011 28.652 1.00 37.85 N ATOM 1192 CA LEU B 89 23.972 25.546 28.798 1.00 39.47 C ATOM 1193 C LEU B 89 25.302 24.921 28.438 1.00 37.62 C ATOM 1194 O LEU B 89 25.922 24.268 29.282 1.00 36.12 O ATOM 1195 CB LEU B 89 22.898 24.884 27.917 1.00 44.55 C ATOM 1196 CG LEU B 89 22.094 23.756 28.544 1.00 49.61 C ATOM 1197 CD1 LEU B 89 21.178 24.244 29.671 1.00 49.77 C ATOM 1198 CD2 LEU B 89 21.247 23.196 27.420 1.00 57.34 C ATOM 0 H LEU B 89 23.379 27.289 28.078 1.00 37.85 H new ATOM 0 HA LEU B 89 23.796 25.389 29.739 1.00 39.47 H new ATOM 0 HB2 LEU B 89 22.278 25.572 27.628 1.00 44.55 H new ATOM 0 HB3 LEU B 89 23.331 24.540 27.120 1.00 44.55 H new ATOM 0 HG LEU B 89 22.690 23.101 28.941 1.00 49.61 H new ATOM 0 HD11 LEU B 89 20.688 23.492 30.038 1.00 49.77 H new ATOM 0 HD12 LEU B 89 21.713 24.653 30.369 1.00 49.77 H new ATOM 0 HD13 LEU B 89 20.552 24.897 29.320 1.00 49.77 H new ATOM 0 HD21 LEU B 89 20.705 22.466 27.756 1.00 57.34 H new ATOM 0 HD22 LEU B 89 20.670 23.893 27.071 1.00 57.34 H new ATOM 0 HD23 LEU B 89 21.824 22.870 26.711 1.00 57.34 H new ATOM 1199 N VAL B 90 25.701 25.139 27.176 1.00 33.71 N ATOM 1200 CA VAL B 90 26.943 24.625 26.607 1.00 30.79 C ATOM 1201 C VAL B 90 28.108 25.075 27.472 1.00 31.84 C ATOM 1202 O VAL B 90 28.989 24.270 27.834 1.00 28.47 O ATOM 1203 CB VAL B 90 27.131 25.090 25.148 1.00 28.26 C ATOM 1204 CG1 VAL B 90 28.512 24.780 24.654 1.00 28.30 C ATOM 1205 CG2 VAL B 90 26.120 24.420 24.242 1.00 29.26 C ATOM 0 H VAL B 90 25.240 25.603 26.618 1.00 33.71 H new ATOM 0 HA VAL B 90 26.904 23.656 26.593 1.00 30.79 H new ATOM 0 HB VAL B 90 26.998 26.051 25.130 1.00 28.26 H new ATOM 0 HG11 VAL B 90 28.603 25.082 23.737 1.00 28.30 H new ATOM 0 HG12 VAL B 90 29.164 25.234 25.210 1.00 28.30 H new ATOM 0 HG13 VAL B 90 28.663 23.823 24.695 1.00 28.30 H new ATOM 0 HG21 VAL B 90 26.252 24.723 23.330 1.00 29.26 H new ATOM 0 HG22 VAL B 90 26.236 23.458 24.283 1.00 29.26 H new ATOM 0 HG23 VAL B 90 25.223 24.649 24.532 1.00 29.26 H new ATOM 1206 N PHE B 91 28.127 26.364 27.821 1.00 33.24 N ATOM 1207 CA PHE B 91 29.248 26.854 28.610 1.00 35.01 C ATOM 1208 C PHE B 91 29.230 26.367 30.061 1.00 35.72 C ATOM 1209 O PHE B 91 30.316 26.122 30.648 1.00 34.63 O ATOM 1210 CB PHE B 91 29.435 28.349 28.457 1.00 38.69 C ATOM 1211 CG PHE B 91 30.215 28.694 27.228 1.00 40.11 C ATOM 1212 CD1 PHE B 91 31.618 28.664 27.253 1.00 40.78 C ATOM 1213 CD2 PHE B 91 29.566 28.946 26.028 1.00 39.04 C ATOM 1214 CE1 PHE B 91 32.349 28.957 26.114 1.00 42.78 C ATOM 1215 CE2 PHE B 91 30.292 29.226 24.879 1.00 40.71 C ATOM 1216 CZ PHE B 91 31.681 29.229 24.917 1.00 45.25 C ATOM 0 H PHE B 91 27.526 26.946 27.620 1.00 33.24 H new ATOM 0 HA PHE B 91 30.048 26.450 28.239 1.00 35.01 H new ATOM 0 HB2 PHE B 91 28.567 28.780 28.420 1.00 38.69 H new ATOM 0 HB3 PHE B 91 29.892 28.698 29.238 1.00 38.69 H new ATOM 0 HD1 PHE B 91 32.060 28.445 28.041 1.00 40.78 H new ATOM 0 HD2 PHE B 91 28.637 28.927 25.993 1.00 39.04 H new ATOM 0 HE1 PHE B 91 33.278 28.973 26.145 1.00 42.78 H new ATOM 0 HE2 PHE B 91 29.849 29.412 24.083 1.00 40.71 H new ATOM 0 HZ PHE B 91 32.167 29.412 24.145 1.00 45.25 H new ATOM 1217 N GLY B 92 28.030 26.080 30.573 1.00 31.45 N ATOM 1218 CA GLY B 92 27.877 25.419 31.873 1.00 30.24 C ATOM 1219 C GLY B 92 28.446 24.023 31.840 1.00 30.16 C ATOM 1220 O GLY B 92 29.139 23.605 32.767 1.00 31.96 O ATOM 0 H GLY B 92 27.287 26.261 30.180 1.00 31.45 H new ATOM 0 HA2 GLY B 92 28.325 25.939 32.558 1.00 30.24 H new ATOM 0 HA3 GLY B 92 26.938 25.383 32.113 1.00 30.24 H new ATOM 1221 N PHE B 93 28.134 23.289 30.779 1.00 29.48 N ATOM 1222 CA PHE B 93 28.659 21.955 30.601 1.00 29.75 C ATOM 1223 C PHE B 93 30.215 21.998 30.492 1.00 31.19 C ATOM 1224 O PHE B 93 30.903 21.263 31.209 1.00 27.48 O ATOM 1225 CB PHE B 93 28.069 21.306 29.355 1.00 31.39 C ATOM 1226 CG PHE B 93 28.792 20.053 28.915 1.00 34.33 C ATOM 1227 CD1 PHE B 93 29.363 19.962 27.639 1.00 36.26 C ATOM 1228 CD2 PHE B 93 28.928 18.991 29.769 1.00 33.65 C ATOM 1229 CE1 PHE B 93 30.046 18.834 27.236 1.00 34.54 C ATOM 1230 CE2 PHE B 93 29.602 17.853 29.361 1.00 35.17 C ATOM 1231 CZ PHE B 93 30.159 17.774 28.099 1.00 34.42 C ATOM 0 H PHE B 93 27.614 23.554 30.147 1.00 29.48 H new ATOM 0 HA PHE B 93 28.410 21.424 31.374 1.00 29.75 H new ATOM 0 HB2 PHE B 93 27.139 21.089 29.524 1.00 31.39 H new ATOM 0 HB3 PHE B 93 28.083 21.949 28.629 1.00 31.39 H new ATOM 0 HD1 PHE B 93 29.280 20.678 27.051 1.00 36.26 H new ATOM 0 HD2 PHE B 93 28.567 19.035 30.625 1.00 33.65 H new ATOM 0 HE1 PHE B 93 30.426 18.792 26.388 1.00 34.54 H new ATOM 0 HE2 PHE B 93 29.681 17.132 29.944 1.00 35.17 H new ATOM 0 HZ PHE B 93 30.609 17.004 27.835 1.00 34.42 H new ATOM 1232 N ILE B 94 30.722 22.849 29.590 1.00 25.44 N ATOM 1233 CA ILE B 94 32.148 23.016 29.385 1.00 23.27 C ATOM 1234 C ILE B 94 32.850 23.360 30.698 1.00 22.92 C ATOM 1235 O ILE B 94 33.927 22.872 30.927 1.00 23.17 O ATOM 1236 CB ILE B 94 32.418 24.101 28.326 1.00 22.66 C ATOM 1237 CG1 ILE B 94 32.244 23.519 26.943 1.00 22.39 C ATOM 1238 CG2 ILE B 94 33.804 24.641 28.429 1.00 23.34 C ATOM 1239 CD1 ILE B 94 31.995 24.568 25.887 1.00 21.03 C ATOM 0 H ILE B 94 30.237 23.344 29.081 1.00 25.44 H new ATOM 0 HA ILE B 94 32.508 22.175 29.062 1.00 23.27 H new ATOM 0 HB ILE B 94 31.786 24.820 28.483 1.00 22.66 H new ATOM 0 HG12 ILE B 94 33.038 23.014 26.708 1.00 22.39 H new ATOM 0 HG13 ILE B 94 31.502 22.894 26.952 1.00 22.39 H new ATOM 0 HG21 ILE B 94 33.938 25.320 27.749 1.00 23.34 H new ATOM 0 HG22 ILE B 94 33.934 25.033 29.307 1.00 23.34 H new ATOM 0 HG23 ILE B 94 34.442 23.922 28.298 1.00 23.34 H new ATOM 0 HD11 ILE B 94 31.891 24.139 25.023 1.00 21.03 H new ATOM 0 HD12 ILE B 94 31.187 25.059 26.103 1.00 21.03 H new ATOM 0 HD13 ILE B 94 32.746 25.181 25.856 1.00 21.03 H new ATOM 1240 N HIS B 95 32.204 24.114 31.579 1.00 24.00 N ATOM 1241 CA HIS B 95 32.798 24.512 32.837 1.00 25.62 C ATOM 1242 C HIS B 95 32.841 23.389 33.870 1.00 28.22 C ATOM 1243 O HIS B 95 33.844 23.190 34.549 1.00 26.10 O ATOM 1244 CB HIS B 95 32.059 25.693 33.454 1.00 28.28 C ATOM 1245 CG HIS B 95 32.472 25.965 34.864 1.00 34.83 C ATOM 1246 ND1 HIS B 95 33.628 26.654 35.196 1.00 38.39 N ATOM 1247 CD2 HIS B 95 31.918 25.577 36.038 1.00 38.44 C ATOM 1248 CE1 HIS B 95 33.751 26.697 36.514 1.00 39.41 C ATOM 1249 NE2 HIS B 95 32.725 26.057 37.050 1.00 41.66 N ATOM 0 H HIS B 95 31.405 24.408 31.459 1.00 24.00 H new ATOM 0 HA HIS B 95 33.709 24.760 32.614 1.00 25.62 H new ATOM 0 HB2 HIS B 95 32.218 26.485 32.917 1.00 28.28 H new ATOM 0 HB3 HIS B 95 31.105 25.520 33.429 1.00 28.28 H new ATOM 0 HD2 HIS B 95 31.139 25.080 36.143 1.00 38.44 H new ATOM 0 HE1 HIS B 95 34.441 27.107 36.983 1.00 39.41 H new ATOM 0 HE2 HIS B 95 32.584 25.956 37.892 1.00 41.66 H new ATOM 1250 N LYS B 96 31.746 22.649 34.009 1.00 31.92 N ATOM 1251 CA LYS B 96 31.762 21.441 34.858 1.00 35.61 C ATOM 1252 C LYS B 96 32.639 20.342 34.276 1.00 30.14 C ATOM 1253 O LYS B 96 33.227 19.602 35.028 1.00 31.06 O ATOM 1254 CB LYS B 96 30.372 20.891 35.088 1.00 37.77 C ATOM 1255 CG LYS B 96 29.449 21.915 35.726 1.00 49.41 C ATOM 1256 CD LYS B 96 30.082 22.615 36.923 1.00 57.51 C ATOM 1257 CE LYS B 96 29.301 23.830 37.388 1.00 60.45 C ATOM 1258 NZ LYS B 96 30.017 24.364 38.591 1.00 67.71 N ATOM 0 H LYS B 96 30.992 22.818 33.631 1.00 31.92 H new ATOM 0 HA LYS B 96 32.135 21.723 35.708 1.00 35.61 H new ATOM 0 HB2 LYS B 96 29.996 20.602 34.242 1.00 37.77 H new ATOM 0 HB3 LYS B 96 30.426 20.107 35.657 1.00 37.77 H new ATOM 0 HG2 LYS B 96 29.201 22.578 35.063 1.00 49.41 H new ATOM 0 HG3 LYS B 96 28.631 21.476 36.008 1.00 49.41 H new ATOM 0 HD2 LYS B 96 30.155 21.985 37.657 1.00 57.51 H new ATOM 0 HD3 LYS B 96 30.984 22.887 36.691 1.00 57.51 H new ATOM 0 HE2 LYS B 96 29.256 24.500 36.688 1.00 60.45 H new ATOM 0 HE3 LYS B 96 28.388 23.589 37.609 1.00 60.45 H new ATOM 0 HZ1 LYS B 96 29.589 25.082 38.897 1.00 67.71 H new ATOM 0 HZ2 LYS B 96 30.039 23.740 39.225 1.00 67.71 H new ATOM 0 HZ3 LYS B 96 30.849 24.588 38.367 1.00 67.71 H new ATOM 1259 N LEU B 97 32.724 20.249 32.948 1.00 27.26 N ATOM 1260 CA LEU B 97 33.552 19.255 32.297 1.00 27.81 C ATOM 1261 C LEU B 97 34.988 19.487 32.731 1.00 31.18 C ATOM 1262 O LEU B 97 35.681 18.543 33.096 1.00 36.28 O ATOM 1263 CB LEU B 97 33.435 19.330 30.783 1.00 25.90 C ATOM 1264 CG LEU B 97 34.524 18.614 29.978 1.00 25.32 C ATOM 1265 CD1 LEU B 97 34.613 17.138 30.277 1.00 24.95 C ATOM 1266 CD2 LEU B 97 34.223 18.809 28.503 1.00 26.11 C ATOM 0 H LEU B 97 32.300 20.764 32.406 1.00 27.26 H new ATOM 0 HA LEU B 97 33.255 18.369 32.557 1.00 27.81 H new ATOM 0 HB2 LEU B 97 32.575 18.961 30.526 1.00 25.90 H new ATOM 0 HB3 LEU B 97 33.431 20.265 30.525 1.00 25.90 H new ATOM 0 HG LEU B 97 35.379 18.999 30.227 1.00 25.32 H new ATOM 0 HD11 LEU B 97 35.316 16.741 29.740 1.00 24.95 H new ATOM 0 HD12 LEU B 97 34.813 17.010 31.217 1.00 24.95 H new ATOM 0 HD13 LEU B 97 33.767 16.713 30.066 1.00 24.95 H new ATOM 0 HD21 LEU B 97 34.901 18.363 27.972 1.00 26.11 H new ATOM 0 HD22 LEU B 97 33.353 18.432 28.298 1.00 26.11 H new ATOM 0 HD23 LEU B 97 34.222 19.756 28.295 1.00 26.11 H new ATOM 1267 N ALA B 98 35.395 20.766 32.739 1.00 32.50 N ATOM 1268 CA ALA B 98 36.782 21.177 33.002 1.00 28.66 C ATOM 1269 C ALA B 98 37.141 21.098 34.478 1.00 27.93 C ATOM 1270 O ALA B 98 38.257 20.711 34.837 1.00 26.98 O ATOM 1271 CB ALA B 98 37.026 22.605 32.450 1.00 25.75 C ATOM 0 H ALA B 98 34.865 21.426 32.590 1.00 32.50 H new ATOM 0 HA ALA B 98 37.364 20.553 32.541 1.00 28.66 H new ATOM 0 HB1 ALA B 98 37.943 22.868 32.627 1.00 25.75 H new ATOM 0 HB2 ALA B 98 36.867 22.614 31.493 1.00 25.75 H new ATOM 0 HB3 ALA B 98 36.421 23.227 32.884 1.00 25.75 H new ATOM 1272 N VAL B 99 36.237 21.507 35.346 1.00 27.08 N ATOM 1273 CA VAL B 99 36.606 21.535 36.742 1.00 29.41 C ATOM 1274 C VAL B 99 36.261 20.257 37.495 1.00 31.63 C ATOM 1275 O VAL B 99 36.818 20.013 38.551 1.00 32.63 O ATOM 1276 CB VAL B 99 36.055 22.753 37.465 1.00 30.65 C ATOM 1277 CG1 VAL B 99 36.499 24.028 36.769 1.00 32.76 C ATOM 1278 CG2 VAL B 99 34.550 22.708 37.512 1.00 35.27 C ATOM 0 H VAL B 99 35.437 21.762 35.159 1.00 27.08 H new ATOM 0 HA VAL B 99 37.574 21.600 36.738 1.00 29.41 H new ATOM 0 HB VAL B 99 36.401 22.745 38.371 1.00 30.65 H new ATOM 0 HG11 VAL B 99 36.140 24.796 37.241 1.00 32.76 H new ATOM 0 HG12 VAL B 99 37.468 24.075 36.766 1.00 32.76 H new ATOM 0 HG13 VAL B 99 36.173 24.029 35.856 1.00 32.76 H new ATOM 0 HG21 VAL B 99 34.217 23.492 37.976 1.00 35.27 H new ATOM 0 HG22 VAL B 99 34.198 22.694 36.608 1.00 35.27 H new ATOM 0 HG23 VAL B 99 34.264 21.909 37.982 1.00 35.27 H new ATOM 1279 N ASN B 100 35.358 19.434 36.973 1.00 33.39 N ATOM 1280 CA ASN B 100 35.033 18.146 37.630 1.00 37.17 C ATOM 1281 C ASN B 100 35.350 16.886 36.857 1.00 33.10 C ATOM 1282 O ASN B 100 35.055 15.811 37.304 1.00 33.83 O ATOM 1283 CB ASN B 100 33.559 18.068 38.065 1.00 43.22 C ATOM 1284 CG ASN B 100 33.116 19.290 38.846 1.00 48.79 C ATOM 1285 OD1 ASN B 100 33.469 19.477 40.026 1.00 53.94 O ATOM 1286 ND2 ASN B 100 32.346 20.145 38.189 1.00 56.60 N ATOM 0 H ASN B 100 34.921 19.589 36.249 1.00 33.39 H new ATOM 0 HA ASN B 100 35.633 18.163 38.392 1.00 37.17 H new ATOM 0 HB2 ASN B 100 32.998 17.970 37.280 1.00 43.22 H new ATOM 0 HB3 ASN B 100 33.427 17.276 38.609 1.00 43.22 H new ATOM 0 HD21 ASN B 100 32.071 20.861 38.577 1.00 56.60 H new ATOM 0 HD22 ASN B 100 32.122 19.984 37.375 1.00 56.60 H new ATOM 1287 N VAL B 101 35.914 16.987 35.680 1.00 32.07 N ATOM 1288 CA VAL B 101 36.361 15.779 35.042 1.00 32.85 C ATOM 1289 C VAL B 101 37.825 15.900 34.660 1.00 33.22 C ATOM 1290 O VAL B 101 38.657 15.176 35.219 1.00 34.48 O ATOM 1291 CB VAL B 101 35.477 15.383 33.877 1.00 31.09 C ATOM 1292 CG1 VAL B 101 35.936 14.068 33.293 1.00 30.14 C ATOM 1293 CG2 VAL B 101 34.053 15.252 34.363 1.00 32.02 C ATOM 0 H VAL B 101 36.045 17.717 35.245 1.00 32.07 H new ATOM 0 HA VAL B 101 36.284 15.052 35.679 1.00 32.85 H new ATOM 0 HB VAL B 101 35.531 16.064 33.188 1.00 31.09 H new ATOM 0 HG11 VAL B 101 35.362 13.826 32.549 1.00 30.14 H new ATOM 0 HG12 VAL B 101 36.850 14.154 32.981 1.00 30.14 H new ATOM 0 HG13 VAL B 101 35.890 13.378 33.973 1.00 30.14 H new ATOM 0 HG21 VAL B 101 33.480 14.998 33.622 1.00 32.02 H new ATOM 0 HG22 VAL B 101 34.008 14.572 35.054 1.00 32.02 H new ATOM 0 HG23 VAL B 101 33.755 16.101 34.726 1.00 32.02 H new ATOM 1294 N GLN B 102 38.141 16.863 33.797 1.00 32.76 N ATOM 1295 CA GLN B 102 39.520 17.042 33.280 1.00 31.66 C ATOM 1296 C GLN B 102 40.538 17.297 34.406 1.00 33.02 C ATOM 1297 O GLN B 102 41.638 16.695 34.448 1.00 31.19 O ATOM 1298 CB GLN B 102 39.566 18.209 32.311 1.00 29.74 C ATOM 1299 CG GLN B 102 38.674 18.064 31.113 1.00 30.35 C ATOM 1300 CD GLN B 102 38.894 19.196 30.142 1.00 33.85 C ATOM 1301 OE1 GLN B 102 38.629 20.361 30.454 1.00 29.70 O ATOM 1302 NE2 GLN B 102 39.411 18.868 28.955 1.00 34.04 N ATOM 0 H GLN B 102 37.574 17.432 33.490 1.00 32.76 H new ATOM 0 HA GLN B 102 39.761 16.216 32.832 1.00 31.66 H new ATOM 0 HB2 GLN B 102 39.320 19.018 32.786 1.00 29.74 H new ATOM 0 HB3 GLN B 102 40.480 18.325 32.007 1.00 29.74 H new ATOM 0 HG2 GLN B 102 38.850 17.217 30.674 1.00 30.35 H new ATOM 0 HG3 GLN B 102 37.746 18.050 31.395 1.00 30.35 H new ATOM 0 HE21 GLN B 102 39.583 18.045 28.773 1.00 34.04 H new ATOM 0 HE22 GLN B 102 39.572 19.480 28.372 1.00 34.04 H new ATOM 1303 N LEU B 103 40.137 18.179 35.315 1.00 31.89 N ATOM 1304 CA LEU B 103 40.985 18.686 36.362 1.00 32.63 C ATOM 1305 C LEU B 103 41.350 17.592 37.364 1.00 36.38 C ATOM 1306 O LEU B 103 42.509 17.492 37.699 1.00 38.37 O ATOM 1307 CB LEU B 103 40.359 19.921 37.023 1.00 32.54 C ATOM 1308 CG LEU B 103 40.889 20.431 38.365 1.00 33.12 C ATOM 1309 CD1 LEU B 103 42.380 20.564 38.395 1.00 34.19 C ATOM 1310 CD2 LEU B 103 40.317 21.819 38.572 1.00 34.58 C ATOM 0 H LEU B 103 39.340 18.503 35.333 1.00 31.89 H new ATOM 0 HA LEU B 103 41.821 18.976 35.966 1.00 32.63 H new ATOM 0 HB2 LEU B 103 40.430 20.652 36.390 1.00 32.54 H new ATOM 0 HB3 LEU B 103 39.414 19.736 37.139 1.00 32.54 H new ATOM 0 HG LEU B 103 40.631 19.793 39.049 1.00 33.12 H new ATOM 0 HD11 LEU B 103 42.659 20.889 39.265 1.00 34.19 H new ATOM 0 HD12 LEU B 103 42.786 19.699 38.229 1.00 34.19 H new ATOM 0 HD13 LEU B 103 42.663 21.190 37.710 1.00 34.19 H new ATOM 0 HD21 LEU B 103 40.632 22.177 39.417 1.00 34.58 H new ATOM 0 HD22 LEU B 103 40.604 22.399 37.849 1.00 34.58 H new ATOM 0 HD23 LEU B 103 39.348 21.772 38.583 1.00 34.58 H new ATOM 1311 N PRO B 104 40.383 16.774 37.849 1.00 38.07 N ATOM 1312 CA PRO B 104 40.724 15.613 38.639 1.00 36.60 C ATOM 1313 C PRO B 104 41.495 14.653 37.812 1.00 36.97 C ATOM 1314 O PRO B 104 42.475 14.171 38.281 1.00 40.11 O ATOM 1315 CB PRO B 104 39.370 15.007 38.964 1.00 39.44 C ATOM 1316 CG PRO B 104 38.538 16.174 39.140 1.00 42.75 C ATOM 1317 CD PRO B 104 38.951 17.067 37.989 1.00 42.54 C ATOM 0 HA PRO B 104 41.258 15.826 39.421 1.00 36.60 H new ATOM 0 HB2 PRO B 104 39.048 14.439 38.247 1.00 39.44 H new ATOM 0 HB3 PRO B 104 39.402 14.462 39.766 1.00 39.44 H new ATOM 0 HG2 PRO B 104 37.595 15.951 39.101 1.00 42.75 H new ATOM 0 HG3 PRO B 104 38.694 16.599 39.998 1.00 42.75 H new ATOM 0 HD2 PRO B 104 38.460 16.860 37.178 1.00 42.54 H new ATOM 0 HD3 PRO B 104 38.793 18.004 38.185 1.00 42.54 H new ATOM 1318 N SER B 105 41.051 14.390 36.585 1.00 39.67 N ATOM 1319 CA SER B 105 41.790 13.559 35.615 1.00 42.86 C ATOM 1320 C SER B 105 43.277 13.981 35.407 1.00 41.27 C ATOM 1321 O SER B 105 44.224 13.179 35.581 1.00 41.48 O ATOM 1322 CB SER B 105 40.989 13.552 34.284 1.00 45.89 C ATOM 1323 OG SER B 105 41.793 13.351 33.133 1.00 51.86 O ATOM 0 H SER B 105 40.304 14.690 36.282 1.00 39.67 H new ATOM 0 HA SER B 105 41.858 12.661 35.975 1.00 42.86 H new ATOM 0 HB2 SER B 105 40.317 12.854 34.325 1.00 45.89 H new ATOM 0 HB3 SER B 105 40.517 14.395 34.196 1.00 45.89 H new ATOM 0 HG SER B 105 41.307 13.355 32.448 1.00 51.86 H new ATOM 1324 N ILE B 106 43.481 15.242 35.067 1.00 42.04 N ATOM 1325 CA ILE B 106 44.845 15.818 34.931 1.00 44.52 C ATOM 1326 C ILE B 106 45.700 15.648 36.199 1.00 45.40 C ATOM 1327 O ILE B 106 46.915 15.374 36.098 1.00 45.07 O ATOM 1328 CB ILE B 106 44.826 17.319 34.566 1.00 44.58 C ATOM 1329 CG1 ILE B 106 44.467 17.533 33.098 1.00 45.14 C ATOM 1330 CG2 ILE B 106 46.175 17.973 34.814 1.00 47.92 C ATOM 1331 CD1 ILE B 106 43.899 18.924 32.847 1.00 46.98 C ATOM 0 H ILE B 106 42.847 15.800 34.906 1.00 42.04 H new ATOM 0 HA ILE B 106 45.244 15.312 34.206 1.00 44.52 H new ATOM 0 HB ILE B 106 44.153 17.725 35.135 1.00 44.58 H new ATOM 0 HG12 ILE B 106 45.257 17.403 32.550 1.00 45.14 H new ATOM 0 HG13 ILE B 106 43.819 16.865 32.824 1.00 45.14 H new ATOM 0 HG21 ILE B 106 46.128 18.912 34.575 1.00 47.92 H new ATOM 0 HG22 ILE B 106 46.408 17.889 35.752 1.00 47.92 H new ATOM 0 HG23 ILE B 106 46.851 17.536 34.273 1.00 47.92 H new ATOM 0 HD11 ILE B 106 43.684 19.021 31.906 1.00 46.98 H new ATOM 0 HD12 ILE B 106 43.095 19.046 33.376 1.00 46.98 H new ATOM 0 HD13 ILE B 106 44.556 19.592 33.099 1.00 46.98 H new ATOM 1332 N LEU B 107 45.079 15.828 37.368 1.00 39.59 N ATOM 1333 CA LEU B 107 45.806 15.781 38.632 1.00 39.46 C ATOM 1334 C LEU B 107 46.248 14.374 39.037 1.00 41.61 C ATOM 1335 O LEU B 107 47.328 14.204 39.572 1.00 39.26 O ATOM 1336 CB LEU B 107 44.980 16.338 39.766 1.00 38.70 C ATOM 1337 CG LEU B 107 44.732 17.827 39.790 1.00 41.32 C ATOM 1338 CD1 LEU B 107 43.533 18.086 40.689 1.00 42.63 C ATOM 1339 CD2 LEU B 107 45.974 18.584 40.255 1.00 43.18 C ATOM 0 H LEU B 107 44.236 15.979 37.447 1.00 39.59 H new ATOM 0 HA LEU B 107 46.596 16.322 38.476 1.00 39.46 H new ATOM 0 HB2 LEU B 107 44.118 15.892 39.754 1.00 38.70 H new ATOM 0 HB3 LEU B 107 45.414 16.095 40.599 1.00 38.70 H new ATOM 0 HG LEU B 107 44.540 18.152 38.897 1.00 41.32 H new ATOM 0 HD11 LEU B 107 43.352 19.038 40.721 1.00 42.63 H new ATOM 0 HD12 LEU B 107 42.758 17.622 40.336 1.00 42.63 H new ATOM 0 HD13 LEU B 107 43.723 17.763 41.584 1.00 42.63 H new ATOM 0 HD21 LEU B 107 45.789 19.536 40.262 1.00 43.18 H new ATOM 0 HD22 LEU B 107 46.213 18.295 41.150 1.00 43.18 H new ATOM 0 HD23 LEU B 107 46.710 18.402 39.650 1.00 43.18 H new ATOM 1340 N SER B 108 45.401 13.378 38.834 1.00 43.48 N ATOM 1341 CA SER B 108 45.725 11.993 39.238 1.00 49.27 C ATOM 1342 C SER B 108 46.879 11.422 38.389 1.00 44.81 C ATOM 1343 O SER B 108 47.597 10.537 38.829 1.00 45.03 O ATOM 1344 CB SER B 108 44.484 11.107 39.075 1.00 54.12 C ATOM 1345 OG SER B 108 44.135 10.953 37.690 1.00 59.09 O ATOM 0 H SER B 108 44.630 13.470 38.465 1.00 43.48 H new ATOM 0 HA SER B 108 46.005 12.004 40.167 1.00 49.27 H new ATOM 0 HB2 SER B 108 44.651 10.236 39.468 1.00 54.12 H new ATOM 0 HB3 SER B 108 43.739 11.498 39.558 1.00 54.12 H new ATOM 0 HG SER B 108 44.230 11.687 37.294 1.00 59.09 H new ATOM 1346 N ASN B 109 46.991 11.962 37.165 1.00 45.27 N ATOM 1347 CA ASN B 109 48.037 11.699 36.189 1.00 40.27 C ATOM 1348 C ASN B 109 49.295 12.477 36.369 1.00 35.08 C ATOM 1349 O ASN B 109 50.128 12.354 35.526 1.00 36.65 O ATOM 1350 CB ASN B 109 47.515 11.999 34.788 1.00 40.58 C ATOM 1351 CG ASN B 109 46.417 11.049 34.387 1.00 44.83 C ATOM 1352 OD1 ASN B 109 46.121 10.080 35.114 1.00 43.34 O ATOM 1353 ND2 ASN B 109 45.799 11.305 33.232 1.00 46.64 N ATOM 0 H ASN B 109 46.414 12.529 36.873 1.00 45.27 H new ATOM 0 HA ASN B 109 48.262 10.765 36.321 1.00 40.27 H new ATOM 0 HB2 ASN B 109 47.183 12.910 34.754 1.00 40.58 H new ATOM 0 HB3 ASN B 109 48.244 11.939 34.151 1.00 40.58 H new ATOM 0 HD21 ASN B 109 45.166 10.790 32.960 1.00 46.64 H new ATOM 0 HD22 ASN B 109 46.034 11.984 32.760 1.00 46.64 H new ATOM 1354 N LEU B 110 49.392 13.326 37.393 1.00 34.56 N ATOM 1355 CA LEU B 110 50.641 13.954 37.836 1.00 35.61 C ATOM 1356 C LEU B 110 51.132 13.389 39.194 1.00 35.84 C ATOM 1357 O LEU B 110 52.245 13.712 39.638 1.00 34.84 O ATOM 1358 CB LEU B 110 50.494 15.473 37.910 1.00 36.70 C ATOM 1359 CG LEU B 110 50.279 16.333 36.646 1.00 40.76 C ATOM 1360 CD1 LEU B 110 49.545 17.626 37.015 1.00 42.47 C ATOM 1361 CD2 LEU B 110 51.563 16.719 35.901 1.00 41.20 C ATOM 0 H LEU B 110 48.712 13.560 37.864 1.00 34.56 H new ATOM 0 HA LEU B 110 51.315 13.739 37.172 1.00 35.61 H new ATOM 0 HB2 LEU B 110 49.748 15.654 38.503 1.00 36.70 H new ATOM 0 HB3 LEU B 110 51.291 15.811 38.347 1.00 36.70 H new ATOM 0 HG LEU B 110 49.761 15.772 36.048 1.00 40.76 H new ATOM 0 HD11 LEU B 110 49.413 18.162 36.218 1.00 42.47 H new ATOM 0 HD12 LEU B 110 48.684 17.409 37.405 1.00 42.47 H new ATOM 0 HD13 LEU B 110 50.073 18.126 37.656 1.00 42.47 H new ATOM 0 HD21 LEU B 110 51.338 17.255 35.125 1.00 41.20 H new ATOM 0 HD22 LEU B 110 52.138 17.231 36.491 1.00 41.20 H new ATOM 0 HD23 LEU B 110 52.026 15.916 35.616 1.00 41.20 H new ATOM 1362 N VAL B 111 50.321 12.541 39.825 1.00 37.03 N ATOM 1363 CA VAL B 111 50.740 11.693 40.963 1.00 42.01 C ATOM 1364 C VAL B 111 51.864 10.711 40.613 1.00 40.95 C ATOM 1365 O VAL B 111 51.639 9.759 39.880 1.00 42.31 O ATOM 1366 CB VAL B 111 49.569 10.825 41.482 1.00 43.03 C ATOM 1367 CG1 VAL B 111 49.969 10.066 42.731 1.00 43.87 C ATOM 1368 CG2 VAL B 111 48.360 11.695 41.784 1.00 49.73 C ATOM 0 H VAL B 111 49.496 12.435 39.606 1.00 37.03 H new ATOM 0 HA VAL B 111 51.049 12.326 41.630 1.00 42.01 H new ATOM 0 HB VAL B 111 49.342 10.187 40.788 1.00 43.03 H new ATOM 0 HG11 VAL B 111 49.221 9.530 43.038 1.00 43.87 H new ATOM 0 HG12 VAL B 111 50.721 9.487 42.531 1.00 43.87 H new ATOM 0 HG13 VAL B 111 50.222 10.695 43.425 1.00 43.87 H new ATOM 0 HG21 VAL B 111 47.634 11.139 42.108 1.00 49.73 H new ATOM 0 HG22 VAL B 111 48.593 12.349 42.461 1.00 49.73 H new ATOM 0 HG23 VAL B 111 48.080 12.153 40.976 1.00 49.73 H new ATOM 1369 N PRO B 112 53.056 10.903 41.172 1.00 43.11 N ATOM 1370 CA PRO B 112 54.138 10.029 40.772 1.00 46.03 C ATOM 1371 C PRO B 112 54.006 8.576 41.243 1.00 43.69 C ATOM 1372 O PRO B 112 53.518 8.346 42.337 1.00 44.38 O ATOM 1373 CB PRO B 112 55.371 10.715 41.387 1.00 47.29 C ATOM 1374 CG PRO B 112 54.856 11.603 42.453 1.00 45.44 C ATOM 1375 CD PRO B 112 53.569 12.082 41.890 1.00 47.31 C ATOM 0 HA PRO B 112 54.170 9.929 39.808 1.00 46.03 H new ATOM 0 HB2 PRO B 112 55.988 10.060 41.749 1.00 47.29 H new ATOM 0 HB3 PRO B 112 55.856 11.222 40.717 1.00 47.29 H new ATOM 0 HG2 PRO B 112 54.728 11.126 43.288 1.00 45.44 H new ATOM 0 HG3 PRO B 112 55.464 12.336 42.635 1.00 45.44 H new ATOM 0 HD2 PRO B 112 52.959 12.371 42.586 1.00 47.31 H new ATOM 0 HD3 PRO B 112 53.697 12.837 41.294 1.00 47.31 H new TER 1376 PRO B 112 HETATM 1377 NA NA A 201 33.825 33.825 -13.972 0.25 29.63 NA HETATM 1378 NA NA A 202 33.825 33.825 -19.541 0.25 6.25 NA HETATM 1379 NA NA A 203 33.825 33.825 -22.773 0.25 29.42 NA HETATM 1380 NA NA A 204 33.825 33.825 -16.429 0.25 22.77 NA HETATM 1381 C1 MPD A 205 22.558 35.158 -9.419 1.00 61.49 C HETATM 1382 C2 MPD A 205 22.783 34.315 -8.161 1.00 61.37 C HETATM 1383 O2 MPD A 205 22.497 32.962 -8.460 1.00 58.70 O HETATM 1384 CM MPD A 205 24.251 34.377 -7.736 1.00 63.38 C HETATM 1385 C3 MPD A 205 21.839 34.803 -7.062 1.00 58.17 C HETATM 1386 C4 MPD A 205 21.653 33.964 -5.785 1.00 59.83 C HETATM 1387 O4 MPD A 205 21.959 32.563 -5.915 1.00 59.22 O HETATM 1388 C5 MPD A 205 22.488 34.544 -4.637 1.00 62.62 C HETATM 0 HO4 MPD A 205 21.834 32.179 -5.178 1.00 59.22 H new HETATM 0 HO2 MPD A 205 22.263 32.563 -7.759 1.00 58.70 H new HETATM 0 HM3 MPD A 205 24.810 34.034 -8.451 1.00 63.38 H new HETATM 0 HM2 MPD A 205 24.495 35.297 -7.548 1.00 63.38 H new HETATM 0 HM1 MPD A 205 24.380 33.840 -6.939 1.00 63.38 H new HETATM 0 H53 MPD A 205 23.426 34.539 -4.884 1.00 62.62 H new HETATM 0 H52 MPD A 205 22.206 35.455 -4.460 1.00 62.62 H new HETATM 0 H51 MPD A 205 22.361 34.006 -3.840 1.00 62.62 H new HETATM 0 H4 MPD A 205 20.702 34.018 -5.600 1.00 59.83 H new HETATM 0 H32 MPD A 205 22.143 35.682 -6.789 1.00 58.17 H new HETATM 0 H31 MPD A 205 20.963 34.918 -7.463 1.00 58.17 H new HETATM 0 H13 MPD A 205 23.145 34.847 -10.126 1.00 61.49 H new HETATM 0 H12 MPD A 205 21.635 35.073 -9.705 1.00 61.49 H new HETATM 0 H11 MPD A 205 22.752 36.088 -9.224 1.00 61.49 H new HETATM 1389 C1 MPD A 206 14.527 37.456 -21.612 1.00 58.13 C HETATM 1390 C2 MPD A 206 13.170 37.145 -20.979 1.00 64.43 C HETATM 1391 O2 MPD A 206 13.057 38.261 -20.051 1.00 69.27 O HETATM 1392 CM MPD A 206 12.071 37.207 -22.038 1.00 61.08 C HETATM 1393 C3 MPD A 206 13.097 35.678 -20.405 1.00 60.23 C HETATM 1394 C4 MPD A 206 12.162 35.273 -19.215 1.00 61.13 C HETATM 1395 O4 MPD A 206 10.832 35.798 -19.196 1.00 63.01 O HETATM 1396 C5 MPD A 206 11.866 33.785 -19.099 1.00 55.98 C HETATM 0 HO4 MPD A 206 10.428 35.513 -18.517 1.00 63.01 H new HETATM 0 HO2 MPD A 206 12.332 38.204 -19.631 1.00 69.27 H new HETATM 0 HM3 MPD A 206 12.045 38.096 -22.426 1.00 61.08 H new HETATM 0 HM2 MPD A 206 12.254 36.556 -22.733 1.00 61.08 H new HETATM 0 HM1 MPD A 206 11.215 37.009 -21.628 1.00 61.08 H new HETATM 0 H53 MPD A 206 11.430 33.478 -19.909 1.00 55.98 H new HETATM 0 H52 MPD A 206 12.696 33.298 -18.975 1.00 55.98 H new HETATM 0 H51 MPD A 206 11.284 33.629 -18.339 1.00 55.98 H new HETATM 0 H4 MPD A 206 12.717 35.643 -18.511 1.00 61.13 H new HETATM 0 H32 MPD A 206 12.860 35.103 -21.149 1.00 60.23 H new HETATM 0 H31 MPD A 206 13.999 35.441 -20.139 1.00 60.23 H new HETATM 0 H13 MPD A 206 14.492 38.324 -22.044 1.00 58.13 H new HETATM 0 H12 MPD A 206 15.211 37.465 -20.924 1.00 58.13 H new HETATM 0 H11 MPD A 206 14.741 36.776 -22.270 1.00 58.13 H new HETATM 1397 N GLY A 207 25.278 28.277 -5.894 1.00 58.33 N HETATM 1398 CA GLY A 207 24.275 29.202 -6.500 1.00 55.12 C HETATM 1399 C GLY A 207 23.844 28.651 -7.840 1.00 57.95 C HETATM 1400 O GLY A 207 23.035 27.716 -7.911 1.00 59.52 O HETATM 1401 OXT GLY A 207 24.302 29.120 -8.882 1.00 55.94 O HETATM 0 HA2 GLY A 207 23.508 29.295 -5.914 1.00 55.12 H new HETATM 0 HA3 GLY A 207 24.658 30.087 -6.609 1.00 55.12 H new HETATM 1402 N GLY A 208 29.660 16.442 -24.412 1.00 54.31 N HETATM 1403 CA GLY A 208 28.805 15.808 -25.460 1.00 57.56 C HETATM 1404 C GLY A 208 27.581 16.609 -25.908 1.00 65.00 C HETATM 1405 O GLY A 208 26.526 16.660 -25.246 1.00 60.38 O HETATM 1406 OXT GLY A 208 27.598 17.224 -26.991 1.00 68.95 O HETATM 0 HA2 GLY A 208 29.356 15.633 -26.239 1.00 57.56 H new HETATM 0 HA3 GLY A 208 28.502 14.949 -25.128 1.00 57.56 H new HETATM 1407 N GLY A 209 11.410 38.788 -15.964 1.00 34.78 N HETATM 1408 CA GLY A 209 12.100 37.627 -15.251 1.00 31.35 C HETATM 1409 C GLY A 209 11.184 36.456 -14.957 1.00 33.23 C HETATM 1410 O GLY A 209 11.441 35.312 -15.463 1.00 31.90 O HETATM 1411 OXT GLY A 209 10.160 36.596 -14.201 1.00 31.02 O HETATM 0 HA2 GLY A 209 12.840 37.318 -15.796 1.00 31.35 H new HETATM 0 HA3 GLY A 209 12.477 37.949 -14.417 1.00 31.35 H new HETATM 1412 NA NA B 201 33.825 33.825 12.942 0.25 31.51 NA HETATM 1413 NA NA B 202 33.825 33.825 20.168 0.25 7.22 NA HETATM 1414 NA NA B 203 33.825 33.825 16.591 0.25 31.33 NA HETATM 1415 C1 MPD B 204 13.968 19.061 19.054 1.00 64.95 C HETATM 1416 C2 MPD B 204 12.868 19.033 18.007 1.00 64.17 C HETATM 1417 O2 MPD B 204 13.274 18.286 16.848 1.00 66.34 O HETATM 1418 CM MPD B 204 11.715 18.254 18.603 1.00 70.48 C HETATM 1419 C3 MPD B 204 12.396 20.445 17.639 1.00 58.48 C HETATM 1420 C4 MPD B 204 13.501 21.410 17.194 1.00 51.70 C HETATM 1421 O4 MPD B 204 14.092 21.016 15.951 1.00 46.49 O HETATM 1422 C5 MPD B 204 12.957 22.817 17.014 1.00 50.09 C HETATM 0 HO4 MPD B 204 13.994 20.189 15.844 1.00 46.49 H new HETATM 0 HO2 MPD B 204 12.651 18.283 16.284 1.00 66.34 H new HETATM 0 HM3 MPD B 204 12.008 17.355 18.818 1.00 70.48 H new HETATM 0 HM2 MPD B 204 11.409 18.695 19.411 1.00 70.48 H new HETATM 0 HM1 MPD B 204 10.987 18.212 17.963 1.00 70.48 H new HETATM 0 H53 MPD B 204 12.260 22.811 16.339 1.00 50.09 H new HETATM 0 H52 MPD B 204 12.590 23.132 17.855 1.00 50.09 H new HETATM 0 H51 MPD B 204 13.673 23.408 16.733 1.00 50.09 H new HETATM 0 H4 MPD B 204 14.171 21.388 17.895 1.00 51.70 H new HETATM 0 H32 MPD B 204 11.741 20.376 16.927 1.00 58.48 H new HETATM 0 H31 MPD B 204 11.942 20.828 18.406 1.00 58.48 H new HETATM 0 H13 MPD B 204 14.178 18.154 19.328 1.00 64.95 H new HETATM 0 H12 MPD B 204 14.761 19.477 18.680 1.00 64.95 H new HETATM 0 H11 MPD B 204 13.669 19.570 19.824 1.00 64.95 H new HETATM 1423 C1 MPD B 205 18.120 11.705 17.143 1.00 83.43 C HETATM 1424 C2 MPD B 205 18.402 10.484 18.026 1.00 83.26 C HETATM 1425 O2 MPD B 205 18.732 9.396 17.152 1.00 82.90 O HETATM 1426 CM MPD B 205 19.622 10.658 18.922 1.00 80.45 C HETATM 1427 C3 MPD B 205 17.165 10.090 18.835 1.00 76.28 C HETATM 1428 C4 MPD B 205 16.533 11.199 19.683 1.00 76.20 C HETATM 1429 O4 MPD B 205 15.094 11.033 19.793 1.00 77.63 O HETATM 1430 C5 MPD B 205 17.129 11.212 21.085 1.00 73.11 C HETATM 0 HO4 MPD B 205 14.775 11.652 20.263 1.00 77.63 H new HETATM 0 HO2 MPD B 205 18.894 8.709 17.608 1.00 82.90 H new HETATM 0 HM3 MPD B 205 20.408 10.810 18.374 1.00 80.45 H new HETATM 0 HM2 MPD B 205 19.487 11.418 19.509 1.00 80.45 H new HETATM 0 HM1 MPD B 205 19.749 9.857 19.454 1.00 80.45 H new HETATM 0 H53 MPD B 205 16.965 10.358 21.514 1.00 73.11 H new HETATM 0 H52 MPD B 205 18.085 11.367 21.029 1.00 73.11 H new HETATM 0 H51 MPD B 205 16.717 11.919 21.605 1.00 73.11 H new HETATM 0 H4 MPD B 205 16.722 12.038 19.235 1.00 76.20 H new HETATM 0 H32 MPD B 205 16.493 9.754 18.221 1.00 76.28 H new HETATM 0 H31 MPD B 205 17.405 9.356 19.422 1.00 76.28 H new HETATM 0 H13 MPD B 205 18.909 11.915 16.620 1.00 83.43 H new HETATM 0 H12 MPD B 205 17.380 11.510 16.547 1.00 83.43 H new HETATM 0 H11 MPD B 205 17.892 12.464 17.703 1.00 83.43 H new HETATM 1431 C1 MPD B 206 29.658 8.802 9.740 1.00 73.19 C HETATM 1432 C2 MPD B 206 28.323 9.540 9.641 1.00 79.30 C HETATM 1433 O2 MPD B 206 28.252 10.131 8.322 1.00 72.65 O HETATM 1434 CM MPD B 206 27.157 8.550 9.816 1.00 74.16 C HETATM 1435 C3 MPD B 206 28.322 10.685 10.687 1.00 80.42 C HETATM 1436 C4 MPD B 206 27.457 10.508 11.961 1.00 82.29 C HETATM 1437 O4 MPD B 206 28.002 9.612 12.947 1.00 75.40 O HETATM 1438 C5 MPD B 206 27.243 11.845 12.664 1.00 79.64 C HETATM 0 HO4 MPD B 206 27.481 9.569 13.605 1.00 75.40 H new HETATM 0 HO2 MPD B 206 27.525 10.544 8.238 1.00 72.65 H new HETATM 0 HM3 MPD B 206 27.199 7.874 9.122 1.00 74.16 H new HETATM 0 HM2 MPD B 206 27.221 8.124 10.685 1.00 74.16 H new HETATM 0 HM1 MPD B 206 26.315 9.027 9.752 1.00 74.16 H new HETATM 0 H53 MPD B 206 28.101 12.217 12.920 1.00 79.64 H new HETATM 0 H52 MPD B 206 26.791 12.458 12.063 1.00 79.64 H new HETATM 0 H51 MPD B 206 26.700 11.711 13.457 1.00 79.64 H new HETATM 0 H4 MPD B 206 26.631 10.126 11.625 1.00 82.29 H new HETATM 0 H32 MPD B 206 29.239 10.831 10.968 1.00 80.42 H new HETATM 0 H31 MPD B 206 28.030 11.495 10.240 1.00 80.42 H new HETATM 0 H13 MPD B 206 29.699 8.114 9.057 1.00 73.19 H new HETATM 0 H12 MPD B 206 30.386 9.430 9.610 1.00 73.19 H new HETATM 0 H11 MPD B 206 29.738 8.393 10.616 1.00 73.19 H new HETATM 1439 N GLY B 207 24.016 27.821 7.472 1.00 68.77 N HETATM 1440 CA GLY B 207 25.138 27.718 6.500 1.00 74.48 C HETATM 1441 C GLY B 207 24.812 28.116 5.064 1.00 79.68 C HETATM 1442 O GLY B 207 24.216 29.171 4.824 1.00 88.17 O HETATM 1443 OXT GLY B 207 25.143 27.410 4.094 1.00 76.58 O HETATM 0 HA2 GLY B 207 25.868 28.275 6.814 1.00 74.48 H new HETATM 0 HA3 GLY B 207 25.459 26.803 6.499 1.00 74.48 H new HETATM 1444 N GLY B 208 23.969 22.088 38.523 1.00 64.07 N HETATM 1445 CA GLY B 208 23.400 22.517 37.213 1.00 67.43 C HETATM 1446 C GLY B 208 22.157 21.721 36.843 1.00 66.80 C HETATM 1447 O GLY B 208 21.719 20.851 37.601 1.00 64.62 O HETATM 1448 OXT GLY B 208 21.560 21.916 35.778 1.00 65.53 O HETATM 0 HA2 GLY B 208 23.179 23.461 37.251 1.00 67.43 H new HETATM 0 HA3 GLY B 208 24.070 22.410 36.520 1.00 67.43 H new HETATM 1449 N GLY B 209 32.796 13.866 26.305 1.00 64.24 N HETATM 1450 CA GLY B 209 31.887 14.118 25.121 1.00 65.16 C HETATM 1451 C GLY B 209 32.173 15.390 24.303 1.00 63.37 C HETATM 1452 O GLY B 209 31.241 16.055 23.777 1.00 62.75 O HETATM 1453 OXT GLY B 209 33.340 15.778 24.145 1.00 46.63 O HETATM 0 HA2 GLY B 209 31.943 13.354 24.526 1.00 65.16 H new HETATM 0 HA3 GLY B 209 30.973 14.161 25.442 1.00 65.16 H new HETATM 1454 N GLY B 210 41.872 15.030 28.765 1.00 69.82 N HETATM 1455 CA GLY B 210 40.797 15.045 29.810 1.00 70.93 C HETATM 1456 C GLY B 210 39.633 14.110 29.521 1.00 73.09 C HETATM 1457 O GLY B 210 38.781 14.368 28.666 1.00 72.51 O HETATM 1458 OXT GLY B 210 39.503 13.057 30.141 1.00 74.98 O HETATM 0 HA2 GLY B 210 41.187 14.804 30.665 1.00 70.93 H new HETATM 0 HA3 GLY B 210 40.458 15.950 29.898 1.00 70.93 H new HETATM 1459 N GLY B 211 27.966 32.080 30.539 1.00 67.70 N HETATM 1460 CA GLY B 211 27.243 32.147 31.857 1.00 64.77 C HETATM 1461 C GLY B 211 26.935 30.814 32.537 1.00 61.29 C HETATM 1462 O GLY B 211 27.527 29.769 32.245 1.00 57.05 O HETATM 1463 OXT GLY B 211 26.064 30.751 33.416 1.00 58.81 O HETATM 0 HA2 GLY B 211 27.774 32.683 32.467 1.00 64.77 H new HETATM 0 HA3 GLY B 211 26.406 32.618 31.720 1.00 64.77 H new HETATM 1464 N GLY B 212 24.945 13.114 14.592 1.00 37.71 N HETATM 1465 CA GLY B 212 23.899 12.271 15.300 1.00 33.42 C HETATM 1466 C GLY B 212 22.505 12.632 14.837 1.00 32.94 C HETATM 1467 O GLY B 212 21.816 11.865 14.130 1.00 31.28 O HETATM 1468 OXT GLY B 212 21.988 13.705 15.190 1.00 31.78 O HETATM 0 HA2 GLY B 212 24.067 11.331 15.129 1.00 33.42 H new HETATM 0 HA3 GLY B 212 23.969 12.402 16.259 1.00 33.42 H new HETATM 1469 N GLY B 213 4.888 27.692 14.521 1.00 39.08 N HETATM 1470 CA GLY B 213 5.597 27.586 13.170 1.00 37.21 C HETATM 1471 C GLY B 213 5.437 26.155 12.659 1.00 35.81 C HETATM 1472 O GLY B 213 6.444 25.578 12.215 1.00 34.96 O HETATM 1473 OXT GLY B 213 4.343 25.501 12.720 1.00 31.86 O HETATM 0 HA2 GLY B 213 5.217 28.216 12.538 1.00 37.21 H new HETATM 0 HA3 GLY B 213 6.536 27.809 13.262 1.00 37.21 H new HETATM 1474 O HOH A 301 12.711 27.304 -3.996 1.00 43.18 O HETATM 1475 O HOH A 302 28.256 45.650 -35.721 1.00 53.80 O HETATM 1476 O HOH A 303 24.121 16.259 -6.047 1.00 35.26 O HETATM 1477 O HOH A 304 20.000 51.622 -32.921 1.00 43.59 O HETATM 1478 O HOH A 305 11.837 36.315 -9.078 1.00 18.58 O HETATM 1479 O HOH A 306 10.056 27.459 -9.532 1.00 49.38 O HETATM 1480 O HOH A 307 26.557 15.511 -4.786 1.00 40.94 O HETATM 1481 O HOH A 308 9.612 28.710 -12.633 1.00 45.22 O HETATM 1482 O HOH A 309 24.974 24.696 -29.598 1.00 43.37 O HETATM 1483 O HOH A 310 22.046 35.634 -1.083 1.00 62.56 O HETATM 1484 O HOH A 311 29.266 23.246 -6.384 1.00 36.85 O HETATM 1485 O HOH A 312 12.540 28.489 -6.714 1.00 31.77 O HETATM 1486 O HOH A 313 24.189 35.597 -39.922 1.00 65.76 O HETATM 1487 O HOH A 314 33.818 33.817 -26.060 0.25 24.63 O HETATM 1488 O HOH A 315 33.825 33.825 -8.857 0.25 54.29 O HETATM 1489 O HOH A 316 31.194 34.840 -8.533 1.00 23.83 O HETATM 1490 O HOH A 317 29.803 35.190 -5.797 1.00 31.93 O HETATM 1491 O HOH A 318 31.896 32.783 -10.856 1.00 14.83 O HETATM 1492 O HOH A 319 10.513 35.791 -38.844 1.00 46.99 O HETATM 1493 O HOH A 320 17.606 32.790 -5.451 1.00 38.18 O HETATM 1494 O HOH B 301 52.876 6.009 41.239 1.00 51.44 O HETATM 1495 O HOH B 302 24.141 26.359 34.490 1.00 35.97 O HETATM 1496 O HOH B 303 22.090 30.898 28.692 1.00 31.84 O HETATM 1497 O HOH B 304 29.764 19.286 37.565 1.00 24.47 O HETATM 1498 O HOH B 305 16.279 23.904 22.438 1.00 51.26 O HETATM 1499 O HOH B 306 15.476 13.958 21.032 1.00 37.57 O HETATM 1500 O HOH B 307 23.510 10.336 21.929 1.00 47.56 O HETATM 1501 O HOH B 308 18.064 23.572 27.493 1.00 53.36 O HETATM 1502 O HOH B 309 15.119 16.495 21.441 1.00 39.09 O HETATM 1503 O HOH B 310 26.673 11.950 45.042 1.00 63.73 O HETATM 1504 O HOH B 311 30.888 7.491 39.685 1.00 52.66 O HETATM 1505 O HOH B 312 29.619 29.146 34.867 1.00 55.01 O HETATM 1506 O HOH B 313 24.946 10.368 40.909 1.00 48.27 O HETATM 1507 O HOH B 314 37.476 27.952 12.686 1.00 44.60 O HETATM 1508 O HOH B 315 56.322 7.547 44.219 1.00 52.90 O HETATM 1509 O HOH B 316 30.010 33.506 29.609 1.00 48.14 O HETATM 1510 O HOH B 317 33.825 33.825 5.898 0.25 47.50 O HETATM 1511 O HOH B 318 33.744 30.881 6.276 1.00 43.65 O HETATM 1512 O HOH B 319 33.825 33.825 26.622 0.25 51.92 O HETATM 1513 O HOH B 320 26.086 13.347 19.595 1.00 43.04 O CONECT 302 1378 1379 CONECT 304 1379 CONECT 309 1378 1380 CONECT 316 1377 CONECT 998 1413 1414 CONECT 1000 1413 CONECT 1005 1414 CONECT 1012 1412 CONECT 1377 316 CONECT 1378 302 309 CONECT 1379 302 304 CONECT 1380 309 CONECT 1381 1382 CONECT 1382 1381 1383 1384 1385 CONECT 1383 1382 CONECT 1384 1382 CONECT 1385 1382 1386 CONECT 1386 1385 1387 1388 CONECT 1387 1386 CONECT 1388 1386 CONECT 1389 1390 CONECT 1390 1389 1391 1392 1393 CONECT 1391 1390 CONECT 1392 1390 CONECT 1393 1390 1394 CONECT 1394 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 CONECT 1412 1012 CONECT 1413 998 1000 CONECT 1414 998 1005 CONECT 1415 1416 CONECT 1416 1415 1417 1418 1419 CONECT 1417 1416 CONECT 1418 1416 CONECT 1419 1416 1420 CONECT 1420 1419 1421 1422 CONECT 1421 1420 CONECT 1422 1420 CONECT 1423 1424 CONECT 1424 1423 1425 1426 1427 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1424 1428 CONECT 1428 1427 1429 1430 CONECT 1429 1428 CONECT 1430 1428 CONECT 1431 1432 CONECT 1432 1431 1433 1434 1435 CONECT 1433 1432 CONECT 1434 1432 CONECT 1435 1432 1436 CONECT 1436 1435 1437 1438 CONECT 1437 1436 CONECT 1438 1436 END