USER MOD reduce.3.24.130724 H: found=0, std=0, add=1812, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ELECTRON TRANSPORT 11-JUL-00 1F9M TITLE CRYSTAL STRUCTURE OF THIOREDOXIN F FROM SPINACH CHLOROPLAST TITLE 2 (SHORT FORM) COMPND MOL_ID: 1; COMPND 2 MOLECULE: THIOREDOXIN F; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: SHORT FORM; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; SOURCE 3 ORGANISM_COMMON: SPINACH; SOURCE 4 ORGANISM_TAXID: 3562; SOURCE 5 CELLULAR_LOCATION: CHLOROPLAST; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-3D KEYWDS ELECTRON TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR G.CAPITANI,Z.MARKOVIC-HOUSLEY,G.DELVAL,M.MORRIS, AUTHOR 2 J.N.JANSONIUS,P.SCHURMANN REVDAT 2 24-FEB-09 1F9M 1 VERSN REVDAT 1 20-SEP-00 1F9M 0 JRNL AUTH G.CAPITANI,Z.MARKOVIC-HOUSLEY,G.DELVAL,M.MORRIS, JRNL AUTH 2 J.N.JANSONIUS,P.SCHURMANN JRNL TITL CRYSTAL STRUCTURES OF TWO FUNCTIONALLY DIFFERENT JRNL TITL 2 THIOREDOXINS IN SPINACH CHLOROPLASTS. JRNL REF J.MOL.BIOL. V. 302 135 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 10964566 JRNL DOI 10.1006/JMBI.2000.4006 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.86 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.86 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.9 REMARK 3 NUMBER OF REFLECTIONS : 20015 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 SET) : 0.198 REMARK 3 FREE R VALUE : 0.237 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 967 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL 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 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1752 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 142 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 19.80 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 COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.81 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: USED BULK SOLVENT CORRECTION (X- REMARK 3 PLOR 3.851) REMARK 4 REMARK 4 1F9M COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-JUL-00. REMARK 100 THE RCSB ID CODE IS RCSB011413. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 02-OCT-95 REMARK 200 TEMPERATURE (KELVIN) : 277 REMARK 200 PH : 5.80 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : ELLIOTT GX-20 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20015 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.860 REMARK 200 RESOLUTION RANGE LOW (A) : 25.500 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 200 DATA REDUNDANCY : 2.900 REMARK 200 R MERGE (I) : 0.08200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 5.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.86 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.96 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.3 REMARK 200 DATA REDUNDANCY IN SHELL : 2.90 REMARK 200 R MERGE FOR SHELL (I) : 0.23700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: PHASES REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.44 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULPHATE, SODIUM REMARK 280 ACETATE, PEG 4000, PH 5.80, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 26.28000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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: THE BIOLOGICAL ASSEMBLY IS A MONOMER REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 B 74 -168.91 -103.37 REMARK 500 ARG B 87 -49.59 -132.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FAA RELATED DB: PDB REMARK 900 THIOREDOXIN F FROM SPINACH CHLOROPLAST (LONG FORM) REMARK 900 RELATED ID: 1FB0 RELATED DB: PDB REMARK 900 THIOREDOXIN M FROM SPINACH CHLOROPLAST (REDUCED FORM) REMARK 900 RELATED ID: 1FB6 RELATED DB: PDB REMARK 900 THIOREDOXIN M FROM SPINACH CHLOROPLAST (OXIDIZED FORM) DBREF 1F9M A 10 121 UNP P09856 TRXF_SPIOL 78 189 DBREF 1F9M B 10 121 UNP P09856 TRXF_SPIOL 78 189 SEQRES 1 A 112 MET GLU ALA ILE VAL GLY LYS VAL THR GLU VAL ASN LYS SEQRES 2 A 112 ASP THR PHE TRP PRO ILE VAL LYS ALA ALA GLY ASP LYS SEQRES 3 A 112 PRO VAL VAL LEU ASP MET PHE THR GLN TRP CYS GLY PRO SEQRES 4 A 112 CYS LYS ALA MET ALA PRO LYS TYR GLU LYS LEU ALA GLU SEQRES 5 A 112 GLU TYR LEU ASP VAL ILE PHE LEU LYS LEU ASP CYS ASN SEQRES 6 A 112 GLN GLU ASN LYS THR LEU ALA LYS GLU LEU GLY ILE ARG SEQRES 7 A 112 VAL VAL PRO THR PHE LYS ILE LEU LYS GLU ASN SER VAL SEQRES 8 A 112 VAL GLY GLU VAL THR GLY ALA LYS TYR ASP LYS LEU LEU SEQRES 9 A 112 GLU ALA ILE GLN ALA ALA ARG SER SEQRES 1 B 112 MET GLU ALA ILE VAL GLY LYS VAL THR GLU VAL ASN LYS SEQRES 2 B 112 ASP THR PHE TRP PRO ILE VAL LYS ALA ALA GLY ASP LYS SEQRES 3 B 112 PRO VAL VAL LEU ASP MET PHE THR GLN TRP CYS GLY PRO SEQRES 4 B 112 CYS LYS ALA MET ALA PRO LYS TYR GLU LYS LEU ALA GLU SEQRES 5 B 112 GLU TYR LEU ASP VAL ILE PHE LEU LYS LEU ASP CYS ASN SEQRES 6 B 112 GLN GLU ASN LYS THR LEU ALA LYS GLU LEU GLY ILE ARG SEQRES 7 B 112 VAL VAL PRO THR PHE LYS ILE LEU LYS GLU ASN SER VAL SEQRES 8 B 112 VAL GLY GLU VAL THR GLY ALA LYS TYR ASP LYS LEU LEU SEQRES 9 B 112 GLU ALA ILE GLN ALA ALA ARG SER FORMUL 3 HOH *142(H2 O) HELIX 1 1 THR A 24 ALA A 31 1 8 HELIX 2 2 CYS A 46 TYR A 63 1 18 HELIX 3 3 ASN A 77 GLY A 85 1 9 HELIX 4 4 LYS A 108 SER A 121 1 14 HELIX 5 5 THR B 24 ALA B 31 1 8 HELIX 6 6 CYS B 46 TYR B 63 1 18 HELIX 7 7 ASN B 77 LEU B 84 1 8 HELIX 8 8 LYS B 108 SER B 121 1 14 SHEET 1 A 5 VAL A 17 VAL A 20 0 SHEET 2 A 5 ILE A 67 ASP A 72 1 O PHE A 68 N THR A 18 SHEET 3 A 5 VAL A 37 PHE A 42 1 N VAL A 38 O ILE A 67 SHEET 4 A 5 THR A 91 LYS A 96 -1 O THR A 91 N MET A 41 SHEET 5 A 5 SER A 99 THR A 105 -1 O SER A 99 N LYS A 96 SHEET 1 B 5 VAL B 17 GLU B 19 0 SHEET 2 B 5 ILE B 67 ASP B 72 1 O PHE B 68 N THR B 18 SHEET 3 B 5 VAL B 37 PHE B 42 1 N VAL B 38 O ILE B 67 SHEET 4 B 5 THR B 91 LYS B 96 -1 O THR B 91 N MET B 41 SHEET 5 B 5 SER B 99 THR B 105 -1 O SER B 99 N LYS B 96 SSBOND *** CYS A 46 CYS A 49 1555 1555 2.03 SSBOND *** CYS B 46 CYS B 49 1555 1555 2.04 CISPEP 1 VAL A 89 PRO A 90 0 -0.24 CISPEP 2 VAL B 89 PRO B 90 0 -0.39 CRYST1 46.590 52.560 52.570 90.00 108.93 90.00 P 1 21 1 4 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 0.021464 0.000000 0.007361 0.00000 SCALE2 0.000000 0.019026 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020110 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 63 TYR OH : rot 180:sc= 0.0704 USER MOD Set 1.2: B 117 GLN : amide:sc= -0.234 K(o=-0.16,f=-1.7!) USER MOD Set 2.1: B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 73 CYS SG : rot -170:sc= -0.737 USER MOD Set 3.1: B 21 ASN : amide:sc= 0.0193 K(o=1.5,f=-4.3!) USER MOD Set 3.2: B 24 THR OG1 : rot -164:sc= 1.52 USER MOD Set 4.1: B 16 LYS NZ :NH3+ 143:sc= -0.915! (180deg=-2.55!) USER MOD Set 4.2: B 18 THR OG1 : rot 102:sc= 1.63 USER MOD Set 5.1: A 63 TYR OH : rot 30:sc= 0 USER MOD Set 5.2: A 117 GLN : amide:sc= -0.305 K(o=-0.3,f=-3!) USER MOD Set 6.1: A 41 MET CE :methyl -177:sc= -0.0797 (180deg=-0.0974) USER MOD Set 6.2: A 73 CYS SG : rot 178:sc= -0.609 USER MOD Single : A 10 MET CE :methyl 171:sc= -0.525 (180deg=-1.05) USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= -0.343 (180deg=-1.6!) USER MOD Single : A 18 THR OG1 : rot 91:sc= 0.497 USER MOD Single : A 21 ASN : amide:sc= -0.244 K(o=-0.24,f=-7.5!) USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= 0.0143 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -70:sc= 1.06 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.435 (180deg=-0.761) USER MOD Single : A 43 THR OG1 : rot 85:sc= 1.1 USER MOD Single : A 44 GLN : amide:sc= 0.63 K(o=0.63,f=-0.64) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= 0.89 (180deg=0.101) USER MOD Single : A 52 MET CE :methyl -137:sc= -1.92 (180deg=-5.59!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 154:sc= 0.352 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.342 K(o=0.34,f=-4.4!) USER MOD Single : A 75 GLN : amide:sc= 0.26 K(o=0.26,f=-3!) USER MOD Single : A 77 ASN : amide:sc= 0.901 K(o=0.9,f=-3.7!) USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= -0.598 (180deg=-1.03!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 76:sc= 2.27 USER MOD Single : A 93 LYS NZ :NH3+ -118:sc= 1.84 (180deg=0.449) USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= 0.458 (180deg=0.419) USER MOD Single : A 98 ASN : amide:sc= -5.02! C(o=-5!,f=-5.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 30:sc= 0.534 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0.0458 USER MOD Single : B 10 MET CE :methyl 174:sc= -0.927 (180deg=-1.11) USER MOD Single : B 22 LYS NZ :NH3+ 153:sc= 0.0177 (180deg=-0.593) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -160:sc= -0.157 (180deg=-0.598) USER MOD Single : B 43 THR OG1 : rot 82:sc= 0.865 USER MOD Single : B 44 GLN : amide:sc= 0.915 K(o=0.92,f=-0.3) USER MOD Single : B 50 LYS NZ :NH3+ -115:sc= 0.0359 (180deg=0) USER MOD Single : B 52 MET CE :methyl -143:sc= -0.0985 (180deg=-0.505) USER MOD Single : B 55 LYS NZ :NH3+ 154:sc= 0.0496 (180deg=0) USER MOD Single : B 56 TYR OH : rot 157:sc= 0.782 USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 ASN : amide:sc= 0.018 K(o=0.018,f=-5.1!) USER MOD Single : B 75 GLN : amide:sc= 0.176 K(o=0.18,f=-2.4) USER MOD Single : B 77 ASN : amide:sc= 0.911 K(o=0.91,f=-2.9!) USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 THR OG1 : rot 180:sc= 0.00236 USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 THR OG1 : rot 86:sc= 2.28 USER MOD Single : B 93 LYS NZ :NH3+ 139:sc= 0.866 (180deg=-0.108) USER MOD Single : B 96 LYS NZ :NH3+ -139:sc= 1.28 (180deg=0.486) USER MOD Single : B 98 ASN : amide:sc= -1.01 K(o=-1,f=-3.9!) USER MOD Single : B 99 SER OG : rot 180:sc= 0 USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 TYR OH : rot 180:sc= 1.27 USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 121 SER OG : rot 180:sc= -0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 10 6.375 20.118 9.179 1.00 44.29 N ATOM 2 CA MET A 10 6.950 21.457 9.494 1.00 44.99 C ATOM 3 C MET A 10 8.214 21.238 10.317 1.00 45.16 C ATOM 4 O MET A 10 8.379 20.184 10.939 1.00 45.66 O ATOM 5 CB MET A 10 5.925 22.294 10.270 1.00 43.04 C ATOM 6 CG MET A 10 4.581 22.427 9.546 1.00 43.31 C ATOM 7 SD MET A 10 3.454 23.658 10.256 1.00 47.44 S ATOM 8 CE MET A 10 4.642 24.877 10.981 1.00 44.27 C ATOM 0 HA MET A 10 7.169 21.940 8.682 1.00 44.99 H new ATOM 0 HB2 MET A 10 5.779 21.890 11.140 1.00 43.04 H new ATOM 0 HB3 MET A 10 6.291 23.179 10.426 1.00 43.04 H new ATOM 0 HG2 MET A 10 4.749 22.657 8.619 1.00 43.31 H new ATOM 0 HG3 MET A 10 4.140 21.563 9.548 1.00 43.31 H new ATOM 0 HE1 MET A 10 4.159 25.666 11.273 1.00 44.27 H new ATOM 0 HE2 MET A 10 5.094 24.476 11.740 1.00 44.27 H new ATOM 0 HE3 MET A 10 5.297 25.129 10.311 1.00 44.27 H new ATOM 9 N GLU A 11 9.117 22.212 10.308 1.00 43.80 N ATOM 10 CA GLU A 11 10.353 22.066 11.067 1.00 43.53 C ATOM 11 C GLU A 11 10.455 23.004 12.275 1.00 39.47 C ATOM 12 O GLU A 11 9.895 24.107 12.277 1.00 38.06 O ATOM 13 CB GLU A 11 11.553 22.261 10.140 1.00 48.13 C ATOM 14 CG GLU A 11 12.067 20.961 9.549 1.00 53.93 C ATOM 15 CD GLU A 11 13.566 20.976 9.372 1.00 58.45 C ATOM 16 OE1 GLU A 11 14.282 21.217 10.368 1.00 60.16 O ATOM 17 OE2 GLU A 11 14.033 20.753 8.235 1.00 64.36 O ATOM 0 H GLU A 11 9.037 22.952 9.878 1.00 43.80 H new ATOM 0 HA GLU A 11 10.349 21.167 11.430 1.00 43.53 H new ATOM 0 HB2 GLU A 11 11.304 22.861 9.420 1.00 48.13 H new ATOM 0 HB3 GLU A 11 12.269 22.691 10.633 1.00 48.13 H new ATOM 0 HG2 GLU A 11 11.817 20.223 10.127 1.00 53.93 H new ATOM 0 HG3 GLU A 11 11.642 20.806 8.691 1.00 53.93 H new ATOM 18 N ALA A 12 11.166 22.547 13.304 1.00 35.37 N ATOM 19 CA ALA A 12 11.347 23.337 14.519 1.00 30.60 C ATOM 20 C ALA A 12 12.460 24.342 14.301 1.00 27.16 C ATOM 21 O ALA A 12 13.502 24.026 13.710 1.00 24.64 O ATOM 22 CB ALA A 12 11.681 22.439 15.696 1.00 31.33 C ATOM 0 H ALA A 12 11.553 21.779 13.318 1.00 35.37 H new ATOM 0 HA ALA A 12 10.521 23.804 14.718 1.00 30.60 H new ATOM 0 HB1 ALA A 12 11.798 22.980 16.493 1.00 31.33 H new ATOM 0 HB2 ALA A 12 10.958 21.808 15.837 1.00 31.33 H new ATOM 0 HB3 ALA A 12 12.501 21.955 15.511 1.00 31.33 H new ATOM 23 N ILE A 13 12.229 25.555 14.787 1.00 25.23 N ATOM 24 CA ILE A 13 13.186 26.639 14.646 1.00 25.91 C ATOM 25 C ILE A 13 14.187 26.750 15.830 1.00 23.24 C ATOM 26 O ILE A 13 15.246 27.355 15.693 1.00 22.85 O ATOM 27 CB ILE A 13 12.403 27.973 14.438 1.00 26.42 C ATOM 28 CG1 ILE A 13 13.340 29.073 13.929 1.00 26.37 C ATOM 29 CG2 ILE A 13 11.698 28.361 15.722 1.00 27.61 C ATOM 30 CD1 ILE A 13 12.634 30.378 13.660 1.00 25.09 C ATOM 0 H ILE A 13 11.511 25.771 15.208 1.00 25.23 H new ATOM 0 HA ILE A 13 13.737 26.447 13.871 1.00 25.91 H new ATOM 0 HB ILE A 13 11.723 27.848 13.758 1.00 26.42 H new ATOM 0 HG12 ILE A 13 14.041 29.220 14.583 1.00 26.37 H new ATOM 0 HG13 ILE A 13 13.771 28.771 13.114 1.00 26.37 H new ATOM 0 HG21 ILE A 13 11.213 29.190 15.587 1.00 27.61 H new ATOM 0 HG22 ILE A 13 11.076 27.661 15.974 1.00 27.61 H new ATOM 0 HG23 ILE A 13 12.353 28.481 16.427 1.00 27.61 H new ATOM 0 HD11 ILE A 13 13.275 31.033 13.342 1.00 25.09 H new ATOM 0 HD12 ILE A 13 11.949 30.243 12.987 1.00 25.09 H new ATOM 0 HD13 ILE A 13 12.224 30.699 14.478 1.00 25.09 H new ATOM 31 N VAL A 14 13.868 26.139 16.969 1.00 22.03 N ATOM 32 CA VAL A 14 14.744 26.202 18.136 1.00 21.19 C ATOM 33 C VAL A 14 15.981 25.307 18.060 1.00 21.45 C ATOM 34 O VAL A 14 16.065 24.419 17.209 1.00 21.01 O ATOM 35 CB VAL A 14 13.971 25.880 19.451 1.00 24.02 C ATOM 36 CG1 VAL A 14 12.842 26.886 19.653 1.00 19.62 C ATOM 37 CG2 VAL A 14 13.432 24.447 19.422 1.00 19.25 C ATOM 0 H VAL A 14 13.149 25.683 17.086 1.00 22.03 H new ATOM 0 HA VAL A 14 15.059 27.120 18.142 1.00 21.19 H new ATOM 0 HB VAL A 14 14.583 25.952 20.200 1.00 24.02 H new ATOM 0 HG11 VAL A 14 12.366 26.679 20.473 1.00 19.62 H new ATOM 0 HG12 VAL A 14 13.212 27.781 19.712 1.00 19.62 H new ATOM 0 HG13 VAL A 14 12.229 26.839 18.903 1.00 19.62 H new ATOM 0 HG21 VAL A 14 12.955 24.264 20.246 1.00 19.25 H new ATOM 0 HG22 VAL A 14 12.829 24.343 18.670 1.00 19.25 H new ATOM 0 HG23 VAL A 14 14.171 23.825 19.332 1.00 19.25 H new ATOM 38 N GLY A 15 16.937 25.569 18.957 1.00 20.04 N ATOM 39 CA GLY A 15 18.183 24.826 19.016 1.00 17.00 C ATOM 40 C GLY A 15 19.280 25.372 18.111 1.00 17.34 C ATOM 41 O GLY A 15 20.413 24.882 18.102 1.00 16.35 O ATOM 0 H GLY A 15 16.873 26.189 19.549 1.00 20.04 H new ATOM 0 HA2 GLY A 15 18.504 24.825 19.931 1.00 17.00 H new ATOM 0 HA3 GLY A 15 18.009 23.903 18.775 1.00 17.00 H new ATOM 42 N LYS A 16 18.951 26.406 17.347 1.00 17.23 N ATOM 43 CA LYS A 16 19.919 27.011 16.444 1.00 18.24 C ATOM 44 C LYS A 16 19.622 28.493 16.281 1.00 15.77 C ATOM 45 O LYS A 16 18.612 28.980 16.776 1.00 15.61 O ATOM 46 CB LYS A 16 19.863 26.337 15.075 1.00 19.41 C ATOM 47 CG LYS A 16 18.619 26.657 14.306 1.00 20.08 C ATOM 48 CD LYS A 16 17.722 25.452 14.268 1.00 28.89 C ATOM 49 CE LYS A 16 17.177 25.248 12.872 1.00 32.12 C ATOM 50 NZ LYS A 16 15.998 26.122 12.661 1.00 39.17 N ATOM 0 H LYS A 16 18.173 26.772 17.337 1.00 17.23 H new ATOM 0 HA LYS A 16 20.805 26.895 16.822 1.00 18.24 H new ATOM 0 HB2 LYS A 16 20.636 26.610 14.556 1.00 19.41 H new ATOM 0 HB3 LYS A 16 19.925 25.376 15.192 1.00 19.41 H new ATOM 0 HG2 LYS A 16 18.156 27.403 14.719 1.00 20.08 H new ATOM 0 HG3 LYS A 16 18.847 26.930 13.404 1.00 20.08 H new ATOM 0 HD2 LYS A 16 18.215 24.665 14.548 1.00 28.89 H new ATOM 0 HD3 LYS A 16 16.990 25.566 14.894 1.00 28.89 H new ATOM 0 HE2 LYS A 16 17.862 25.450 12.216 1.00 32.12 H new ATOM 0 HE3 LYS A 16 16.928 24.319 12.745 1.00 32.12 H new ATOM 0 HZ1 LYS A 16 15.272 25.620 12.547 1.00 39.17 H new ATOM 0 HZ2 LYS A 16 15.887 26.647 13.371 1.00 39.17 H new ATOM 0 HZ3 LYS A 16 16.126 26.625 11.938 1.00 39.17 H new ATOM 51 N VAL A 17 20.505 29.197 15.579 1.00 15.56 N ATOM 52 CA VAL A 17 20.327 30.629 15.348 1.00 14.34 C ATOM 53 C VAL A 17 19.856 30.792 13.922 1.00 13.78 C ATOM 54 O VAL A 17 20.522 30.314 13.008 1.00 15.65 O ATOM 55 CB VAL A 17 21.646 31.387 15.504 1.00 10.58 C ATOM 56 CG1 VAL A 17 21.433 32.859 15.180 1.00 13.22 C ATOM 57 CG2 VAL A 17 22.188 31.220 16.914 1.00 15.77 C ATOM 0 H VAL A 17 21.216 28.864 15.227 1.00 15.56 H new ATOM 0 HA VAL A 17 19.694 30.983 15.992 1.00 14.34 H new ATOM 0 HB VAL A 17 22.298 31.022 14.885 1.00 10.58 H new ATOM 0 HG11 VAL A 17 22.271 33.337 15.280 1.00 13.22 H new ATOM 0 HG12 VAL A 17 21.118 32.947 14.267 1.00 13.22 H new ATOM 0 HG13 VAL A 17 20.774 33.232 15.787 1.00 13.22 H new ATOM 0 HG21 VAL A 17 23.024 31.705 16.999 1.00 15.77 H new ATOM 0 HG22 VAL A 17 21.546 31.569 17.551 1.00 15.77 H new ATOM 0 HG23 VAL A 17 22.341 30.279 17.093 1.00 15.77 H new ATOM 58 N THR A 18 18.719 31.455 13.723 1.00 11.91 N ATOM 59 CA THR A 18 18.190 31.648 12.377 1.00 11.38 C ATOM 60 C THR A 18 18.358 33.100 11.942 1.00 13.34 C ATOM 61 O THR A 18 17.990 34.016 12.662 1.00 12.37 O ATOM 62 CB THR A 18 16.688 31.268 12.314 1.00 13.35 C ATOM 63 OG1 THR A 18 16.536 29.879 12.643 1.00 16.65 O ATOM 64 CG2 THR A 18 16.105 31.535 10.920 1.00 11.82 C ATOM 0 H THR A 18 18.242 31.799 14.350 1.00 11.91 H new ATOM 0 HA THR A 18 18.688 31.071 11.778 1.00 11.38 H new ATOM 0 HB THR A 18 16.205 31.816 12.952 1.00 13.35 H new ATOM 0 HG1 THR A 18 16.417 29.798 13.471 1.00 16.65 H new ATOM 0 HG21 THR A 18 15.167 31.289 10.909 1.00 11.82 H new ATOM 0 HG22 THR A 18 16.194 32.477 10.707 1.00 11.82 H new ATOM 0 HG23 THR A 18 16.585 31.008 10.262 1.00 11.82 H new ATOM 65 N GLU A 19 18.925 33.316 10.762 1.00 14.16 N ATOM 66 CA GLU A 19 19.086 34.676 10.274 1.00 10.44 C ATOM 67 C GLU A 19 17.771 35.113 9.658 1.00 12.57 C ATOM 68 O GLU A 19 17.113 34.329 8.971 1.00 12.99 O ATOM 69 CB GLU A 19 20.196 34.768 9.220 1.00 13.68 C ATOM 70 CG GLU A 19 20.291 36.182 8.618 1.00 16.73 C ATOM 71 CD GLU A 19 21.609 36.476 7.912 1.00 24.71 C ATOM 72 OE1 GLU A 19 22.397 35.533 7.691 1.00 25.41 O ATOM 73 OE2 GLU A 19 21.852 37.657 7.575 1.00 26.69 O ATOM 0 H GLU A 19 19.218 32.701 10.237 1.00 14.16 H new ATOM 0 HA GLU A 19 19.334 35.250 11.015 1.00 10.44 H new ATOM 0 HB2 GLU A 19 21.046 34.529 9.622 1.00 13.68 H new ATOM 0 HB3 GLU A 19 20.026 34.126 8.513 1.00 13.68 H new ATOM 0 HG2 GLU A 19 19.564 36.303 7.987 1.00 16.73 H new ATOM 0 HG3 GLU A 19 20.163 36.833 9.326 1.00 16.73 H new ATOM 74 N VAL A 20 17.374 36.357 9.929 1.00 9.86 N ATOM 75 CA VAL A 20 16.151 36.911 9.379 1.00 8.62 C ATOM 76 C VAL A 20 16.471 38.203 8.595 1.00 10.78 C ATOM 77 O VAL A 20 17.620 38.675 8.563 1.00 10.36 O ATOM 78 CB VAL A 20 15.119 37.237 10.491 1.00 11.71 C ATOM 79 CG1 VAL A 20 14.707 35.949 11.200 1.00 12.54 C ATOM 80 CG2 VAL A 20 15.706 38.253 11.497 1.00 10.49 C ATOM 0 H VAL A 20 17.809 36.898 10.437 1.00 9.86 H new ATOM 0 HA VAL A 20 15.765 36.245 8.789 1.00 8.62 H new ATOM 0 HB VAL A 20 14.334 37.639 10.087 1.00 11.71 H new ATOM 0 HG11 VAL A 20 14.062 36.154 11.895 1.00 12.54 H new ATOM 0 HG12 VAL A 20 14.308 35.340 10.559 1.00 12.54 H new ATOM 0 HG13 VAL A 20 15.489 35.534 11.597 1.00 12.54 H new ATOM 0 HG21 VAL A 20 15.049 38.445 12.184 1.00 10.49 H new ATOM 0 HG22 VAL A 20 16.502 37.880 11.907 1.00 10.49 H new ATOM 0 HG23 VAL A 20 15.936 39.073 11.032 1.00 10.49 H new ATOM 81 N ASN A 21 15.451 38.766 7.963 1.00 9.34 N ATOM 82 CA ASN A 21 15.621 39.985 7.180 1.00 10.86 C ATOM 83 C ASN A 21 14.331 40.797 7.309 1.00 14.87 C ATOM 84 O ASN A 21 13.420 40.400 8.042 1.00 15.58 O ATOM 85 CB ASN A 21 15.955 39.651 5.716 1.00 9.06 C ATOM 86 CG ASN A 21 14.857 38.872 5.009 1.00 11.34 C ATOM 87 OD1 ASN A 21 13.679 39.179 5.120 1.00 12.35 O ATOM 88 ND2 ASN A 21 15.259 37.856 4.264 1.00 13.64 N ATOM 0 H ASN A 21 14.648 38.458 7.974 1.00 9.34 H new ATOM 0 HA ASN A 21 16.367 40.509 7.512 1.00 10.86 H new ATOM 0 HB2 ASN A 21 16.120 40.476 5.233 1.00 9.06 H new ATOM 0 HB3 ASN A 21 16.777 39.137 5.688 1.00 9.06 H new ATOM 0 HD21 ASN A 21 14.683 37.383 3.835 1.00 13.64 H new ATOM 0 HD22 ASN A 21 16.096 37.668 4.209 1.00 13.64 H new ATOM 89 N LYS A 22 14.248 41.930 6.621 1.00 14.10 N ATOM 90 CA LYS A 22 13.072 42.783 6.737 1.00 15.05 C ATOM 91 C LYS A 22 11.733 42.104 6.484 1.00 13.55 C ATOM 92 O LYS A 22 10.719 42.520 7.048 1.00 14.16 O ATOM 93 CB LYS A 22 13.203 44.000 5.815 1.00 18.00 C ATOM 94 CG LYS A 22 13.642 43.665 4.408 1.00 25.66 C ATOM 95 CD LYS A 22 12.907 44.514 3.381 1.00 32.06 C ATOM 96 CE LYS A 22 13.720 44.613 2.104 1.00 33.21 C ATOM 97 NZ LYS A 22 13.721 43.314 1.385 1.00 33.18 N ATOM 0 H LYS A 22 14.855 42.221 6.086 1.00 14.10 H new ATOM 0 HA LYS A 22 13.058 43.044 7.671 1.00 15.05 H new ATOM 0 HB2 LYS A 22 12.349 44.458 5.776 1.00 18.00 H new ATOM 0 HB3 LYS A 22 13.840 44.620 6.203 1.00 18.00 H new ATOM 0 HG2 LYS A 22 14.598 43.807 4.323 1.00 25.66 H new ATOM 0 HG3 LYS A 22 13.478 42.726 4.231 1.00 25.66 H new ATOM 0 HD2 LYS A 22 12.039 44.124 3.191 1.00 32.06 H new ATOM 0 HD3 LYS A 22 12.747 45.401 3.740 1.00 32.06 H new ATOM 0 HE2 LYS A 22 13.351 45.305 1.533 1.00 33.21 H new ATOM 0 HE3 LYS A 22 14.631 44.873 2.313 1.00 33.21 H new ATOM 0 HZ1 LYS A 22 13.647 43.459 0.510 1.00 33.18 H new ATOM 0 HZ2 LYS A 22 14.482 42.883 1.550 1.00 33.18 H new ATOM 0 HZ3 LYS A 22 13.035 42.820 1.663 1.00 33.18 H new ATOM 98 N ASP A 23 11.724 41.076 5.635 1.00 12.91 N ATOM 99 CA ASP A 23 10.489 40.366 5.297 1.00 13.21 C ATOM 100 C ASP A 23 10.127 39.170 6.155 1.00 12.99 C ATOM 101 O ASP A 23 8.941 38.821 6.253 1.00 10.55 O ATOM 102 CB ASP A 23 10.527 39.898 3.839 1.00 15.28 C ATOM 103 CG ASP A 23 10.603 41.047 2.869 1.00 18.52 C ATOM 104 OD1 ASP A 23 9.766 41.970 2.984 1.00 21.97 O ATOM 105 OD2 ASP A 23 11.498 41.030 2.008 1.00 19.15 O ATOM 0 H ASP A 23 12.426 40.773 5.242 1.00 12.91 H new ATOM 0 HA ASP A 23 9.803 41.030 5.466 1.00 13.21 H new ATOM 0 HB2 ASP A 23 11.292 39.317 3.708 1.00 15.28 H new ATOM 0 HB3 ASP A 23 9.735 39.371 3.650 1.00 15.28 H new ATOM 106 N THR A 24 11.130 38.565 6.792 1.00 11.40 N ATOM 107 CA THR A 24 10.900 37.354 7.571 1.00 12.58 C ATOM 108 C THR A 24 10.955 37.452 9.103 1.00 13.68 C ATOM 109 O THR A 24 10.637 36.482 9.800 1.00 11.71 O ATOM 110 CB THR A 24 11.876 36.245 7.094 1.00 10.97 C ATOM 111 OG1 THR A 24 13.227 36.675 7.300 1.00 10.33 O ATOM 112 CG2 THR A 24 11.679 35.978 5.607 1.00 7.34 C ATOM 0 H THR A 24 11.945 38.839 6.785 1.00 11.40 H new ATOM 0 HA THR A 24 9.968 37.150 7.394 1.00 12.58 H new ATOM 0 HB THR A 24 11.698 35.437 7.600 1.00 10.97 H new ATOM 0 HG1 THR A 24 13.412 37.289 6.757 1.00 10.33 H new ATOM 0 HG21 THR A 24 12.293 35.284 5.319 1.00 7.34 H new ATOM 0 HG22 THR A 24 10.767 35.689 5.448 1.00 7.34 H new ATOM 0 HG23 THR A 24 11.852 36.791 5.106 1.00 7.34 H new ATOM 113 N PHE A 25 11.359 38.609 9.621 1.00 12.34 N ATOM 114 CA PHE A 25 11.444 38.791 11.053 1.00 6.89 C ATOM 115 C PHE A 25 10.073 38.790 11.751 1.00 9.11 C ATOM 116 O PHE A 25 9.838 37.966 12.621 1.00 11.17 O ATOM 117 CB PHE A 25 12.198 40.085 11.355 1.00 10.31 C ATOM 118 CG PHE A 25 12.156 40.503 12.809 1.00 10.23 C ATOM 119 CD1 PHE A 25 12.901 39.817 13.773 1.00 14.35 C ATOM 120 CD2 PHE A 25 11.356 41.579 13.216 1.00 14.13 C ATOM 121 CE1 PHE A 25 12.848 40.191 15.126 1.00 14.29 C ATOM 122 CE2 PHE A 25 11.292 41.967 14.575 1.00 12.08 C ATOM 123 CZ PHE A 25 12.036 41.274 15.527 1.00 14.11 C ATOM 0 H PHE A 25 11.587 39.296 9.156 1.00 12.34 H new ATOM 0 HA PHE A 25 11.926 38.030 11.411 1.00 6.89 H new ATOM 0 HB2 PHE A 25 13.124 39.978 11.086 1.00 10.31 H new ATOM 0 HB3 PHE A 25 11.826 40.798 10.813 1.00 10.31 H new ATOM 0 HD1 PHE A 25 13.439 39.104 13.515 1.00 14.35 H new ATOM 0 HD2 PHE A 25 10.859 42.045 12.583 1.00 14.13 H new ATOM 0 HE1 PHE A 25 13.348 39.725 15.757 1.00 14.29 H new ATOM 0 HE2 PHE A 25 10.755 42.682 14.832 1.00 12.08 H new ATOM 0 HZ PHE A 25 11.998 41.523 16.422 1.00 14.11 H new ATOM 124 N TRP A 26 9.160 39.687 11.379 1.00 11.79 N ATOM 125 CA TRP A 26 7.841 39.753 12.044 1.00 14.01 C ATOM 126 C TRP A 26 7.008 38.468 11.975 1.00 13.51 C ATOM 127 O TRP A 26 6.390 38.076 12.960 1.00 12.40 O ATOM 128 CB TRP A 26 7.025 40.967 11.538 1.00 16.59 C ATOM 129 CG TRP A 26 7.588 42.275 12.094 1.00 16.84 C ATOM 130 CD1 TRP A 26 8.197 43.282 11.388 1.00 19.50 C ATOM 131 CD2 TRP A 26 7.678 42.649 13.480 1.00 18.73 C ATOM 132 NE1 TRP A 26 8.663 44.260 12.251 1.00 21.36 N ATOM 133 CE2 TRP A 26 8.356 43.896 13.538 1.00 19.88 C ATOM 134 CE3 TRP A 26 7.251 42.054 14.674 1.00 15.64 C ATOM 135 CZ2 TRP A 26 8.616 44.550 14.738 1.00 17.64 C ATOM 136 CZ3 TRP A 26 7.507 42.707 15.865 1.00 20.41 C ATOM 137 CH2 TRP A 26 8.187 43.942 15.889 1.00 19.63 C ATOM 0 H TRP A 26 9.275 40.264 10.751 1.00 11.79 H new ATOM 0 HA TRP A 26 8.046 39.866 12.985 1.00 14.01 H new ATOM 0 HB2 TRP A 26 7.041 40.990 10.568 1.00 16.59 H new ATOM 0 HB3 TRP A 26 6.097 40.871 11.804 1.00 16.59 H new ATOM 0 HD1 TRP A 26 8.284 43.305 10.462 1.00 19.50 H new ATOM 0 HE1 TRP A 26 9.077 44.977 12.019 1.00 21.36 H new ATOM 0 HE3 TRP A 26 6.805 41.238 14.666 1.00 15.64 H new ATOM 0 HZ2 TRP A 26 9.062 45.366 14.758 1.00 17.64 H new ATOM 0 HZ3 TRP A 26 7.226 42.325 16.665 1.00 20.41 H new ATOM 0 HH2 TRP A 26 8.349 44.355 16.707 1.00 19.63 H new ATOM 138 N PRO A 27 6.933 37.827 10.803 1.00 12.89 N ATOM 139 CA PRO A 27 6.159 36.586 10.726 1.00 14.20 C ATOM 140 C PRO A 27 6.652 35.545 11.752 1.00 13.93 C ATOM 141 O PRO A 27 5.846 34.864 12.380 1.00 16.29 O ATOM 142 CB PRO A 27 6.381 36.128 9.296 1.00 12.60 C ATOM 143 CG PRO A 27 6.630 37.394 8.560 1.00 11.91 C ATOM 144 CD PRO A 27 7.457 38.221 9.485 1.00 11.80 C ATOM 0 HA PRO A 27 5.220 36.708 10.938 1.00 14.20 H new ATOM 0 HB2 PRO A 27 7.135 35.521 9.228 1.00 12.60 H new ATOM 0 HB3 PRO A 27 5.607 35.659 8.947 1.00 12.60 H new ATOM 0 HG2 PRO A 27 7.095 37.229 7.725 1.00 11.91 H new ATOM 0 HG3 PRO A 27 5.798 37.841 8.338 1.00 11.91 H new ATOM 0 HD2 PRO A 27 8.403 38.026 9.398 1.00 11.80 H new ATOM 0 HD3 PRO A 27 7.346 39.170 9.320 1.00 11.80 H new ATOM 145 N ILE A 28 7.970 35.443 11.931 1.00 13.67 N ATOM 146 CA ILE A 28 8.556 34.498 12.892 1.00 14.74 C ATOM 147 C ILE A 28 8.200 34.869 14.331 1.00 14.97 C ATOM 148 O ILE A 28 7.843 34.008 15.130 1.00 14.80 O ATOM 149 CB ILE A 28 10.111 34.390 12.694 1.00 14.24 C ATOM 150 CG1 ILE A 28 10.397 33.496 11.467 1.00 14.24 C ATOM 151 CG2 ILE A 28 10.790 33.812 13.960 1.00 14.94 C ATOM 152 CD1 ILE A 28 11.871 33.358 11.099 1.00 16.84 C ATOM 0 H ILE A 28 8.548 35.915 11.503 1.00 13.67 H new ATOM 0 HA ILE A 28 8.173 33.624 12.719 1.00 14.74 H new ATOM 0 HB ILE A 28 10.478 35.275 12.544 1.00 14.24 H new ATOM 0 HG12 ILE A 28 10.036 32.612 11.637 1.00 14.24 H new ATOM 0 HG13 ILE A 28 9.919 33.856 10.703 1.00 14.24 H new ATOM 0 HG21 ILE A 28 11.748 33.754 13.816 1.00 14.94 H new ATOM 0 HG22 ILE A 28 10.612 34.392 14.717 1.00 14.94 H new ATOM 0 HG23 ILE A 28 10.437 32.927 14.141 1.00 14.94 H new ATOM 0 HD11 ILE A 28 11.958 32.783 10.322 1.00 16.84 H new ATOM 0 HD12 ILE A 28 12.237 34.233 10.896 1.00 16.84 H new ATOM 0 HD13 ILE A 28 12.356 32.970 11.844 1.00 16.84 H new ATOM 153 N VAL A 29 8.255 36.163 14.639 1.00 15.39 N ATOM 154 CA VAL A 29 7.932 36.665 15.970 1.00 16.12 C ATOM 155 C VAL A 29 6.474 36.321 16.282 1.00 17.42 C ATOM 156 O VAL A 29 6.161 35.781 17.359 1.00 19.56 O ATOM 157 CB VAL A 29 8.144 38.210 16.038 1.00 16.27 C ATOM 158 CG1 VAL A 29 7.708 38.758 17.405 1.00 20.44 C ATOM 159 CG2 VAL A 29 9.609 38.544 15.781 1.00 15.21 C ATOM 0 H VAL A 29 8.482 36.775 14.079 1.00 15.39 H new ATOM 0 HA VAL A 29 8.517 36.251 16.624 1.00 16.12 H new ATOM 0 HB VAL A 29 7.598 38.628 15.354 1.00 16.27 H new ATOM 0 HG11 VAL A 29 7.847 39.718 17.428 1.00 20.44 H new ATOM 0 HG12 VAL A 29 6.768 38.564 17.547 1.00 20.44 H new ATOM 0 HG13 VAL A 29 8.233 38.339 18.104 1.00 20.44 H new ATOM 0 HG21 VAL A 29 9.734 39.505 15.824 1.00 15.21 H new ATOM 0 HG22 VAL A 29 10.162 38.115 16.453 1.00 15.21 H new ATOM 0 HG23 VAL A 29 9.864 38.225 14.901 1.00 15.21 H new ATOM 160 N LYS A 30 5.592 36.626 15.334 1.00 15.16 N ATOM 161 CA LYS A 30 4.172 36.354 15.477 1.00 19.62 C ATOM 162 C LYS A 30 3.855 34.868 15.684 1.00 21.50 C ATOM 163 O LYS A 30 2.828 34.537 16.262 1.00 26.08 O ATOM 164 CB LYS A 30 3.411 36.856 14.256 1.00 20.53 C ATOM 165 CG LYS A 30 3.361 38.378 14.119 1.00 27.48 C ATOM 166 CD LYS A 30 2.451 38.784 12.966 1.00 30.16 C ATOM 167 CE LYS A 30 2.193 40.280 12.944 1.00 34.69 C ATOM 168 NZ LYS A 30 2.963 40.927 11.853 1.00 38.94 N ATOM 0 H LYS A 30 5.805 36.998 14.588 1.00 15.16 H new ATOM 0 HA LYS A 30 3.889 36.826 16.275 1.00 19.62 H new ATOM 0 HB2 LYS A 30 3.821 36.485 13.459 1.00 20.53 H new ATOM 0 HB3 LYS A 30 2.503 36.516 14.293 1.00 20.53 H new ATOM 0 HG2 LYS A 30 3.039 38.772 14.945 1.00 27.48 H new ATOM 0 HG3 LYS A 30 4.255 38.724 13.969 1.00 27.48 H new ATOM 0 HD2 LYS A 30 2.854 38.514 12.126 1.00 30.16 H new ATOM 0 HD3 LYS A 30 1.607 38.312 13.040 1.00 30.16 H new ATOM 0 HE2 LYS A 30 1.246 40.448 12.822 1.00 34.69 H new ATOM 0 HE3 LYS A 30 2.442 40.669 13.797 1.00 34.69 H new ATOM 0 HZ1 LYS A 30 2.801 41.802 11.854 1.00 38.94 H new ATOM 0 HZ2 LYS A 30 3.833 40.787 11.979 1.00 38.94 H new ATOM 0 HZ3 LYS A 30 2.718 40.581 11.071 1.00 38.94 H new ATOM 169 N ALA A 31 4.723 33.973 15.227 1.00 20.73 N ATOM 170 CA ALA A 31 4.473 32.548 15.384 1.00 21.38 C ATOM 171 C ALA A 31 5.235 31.951 16.559 1.00 24.44 C ATOM 172 O ALA A 31 5.220 30.733 16.764 1.00 24.41 O ATOM 173 CB ALA A 31 4.844 31.808 14.104 1.00 22.15 C ATOM 0 H ALA A 31 5.458 34.169 14.826 1.00 20.73 H new ATOM 0 HA ALA A 31 3.526 32.443 15.566 1.00 21.38 H new ATOM 0 HB1 ALA A 31 4.674 30.860 14.217 1.00 22.15 H new ATOM 0 HB2 ALA A 31 4.310 32.146 13.368 1.00 22.15 H new ATOM 0 HB3 ALA A 31 5.784 31.947 13.911 1.00 22.15 H new ATOM 174 N ALA A 32 5.905 32.801 17.329 1.00 22.80 N ATOM 175 CA ALA A 32 6.689 32.332 18.462 1.00 21.32 C ATOM 176 C ALA A 32 5.834 31.788 19.599 1.00 23.36 C ATOM 177 O ALA A 32 6.273 30.919 20.348 1.00 23.78 O ATOM 178 CB ALA A 32 7.546 33.458 18.973 1.00 20.40 C ATOM 0 H ALA A 32 5.918 33.653 17.212 1.00 22.80 H new ATOM 0 HA ALA A 32 7.236 31.596 18.145 1.00 21.32 H new ATOM 0 HB1 ALA A 32 8.070 33.149 19.728 1.00 20.40 H new ATOM 0 HB2 ALA A 32 8.141 33.758 18.268 1.00 20.40 H new ATOM 0 HB3 ALA A 32 6.980 34.195 19.252 1.00 20.40 H new ATOM 179 N GLY A 33 4.619 32.299 19.731 1.00 22.97 N ATOM 180 CA GLY A 33 3.765 31.856 20.813 1.00 26.93 C ATOM 181 C GLY A 33 4.187 32.591 22.076 1.00 28.85 C ATOM 182 O GLY A 33 4.364 33.809 22.060 1.00 28.67 O ATOM 0 H GLY A 33 4.276 32.894 19.213 1.00 22.97 H new ATOM 0 HA2 GLY A 33 2.835 32.040 20.608 1.00 26.93 H new ATOM 0 HA3 GLY A 33 3.844 30.897 20.936 1.00 26.93 H new ATOM 183 N ASP A 34 4.360 31.869 23.178 1.00 31.23 N ATOM 184 CA ASP A 34 4.775 32.530 24.410 1.00 34.48 C ATOM 185 C ASP A 34 6.223 32.203 24.658 1.00 32.03 C ATOM 186 O ASP A 34 6.697 32.170 25.791 1.00 31.39 O ATOM 187 CB ASP A 34 3.920 32.099 25.603 1.00 40.53 C ATOM 188 CG ASP A 34 3.768 30.609 25.694 1.00 45.36 C ATOM 189 OD1 ASP A 34 4.601 29.891 25.087 1.00 49.40 O ATOM 190 OD2 ASP A 34 2.817 30.163 26.374 1.00 49.06 O ATOM 0 H ASP A 34 4.246 31.018 23.235 1.00 31.23 H new ATOM 0 HA ASP A 34 4.656 33.487 24.310 1.00 34.48 H new ATOM 0 HB2 ASP A 34 4.322 32.431 26.421 1.00 40.53 H new ATOM 0 HB3 ASP A 34 3.043 32.507 25.532 1.00 40.53 H new ATOM 191 N LYS A 35 6.920 31.930 23.569 1.00 30.23 N ATOM 192 CA LYS A 35 8.336 31.664 23.647 1.00 28.16 C ATOM 193 C LYS A 35 8.994 33.046 23.477 1.00 25.86 C ATOM 194 O LYS A 35 8.582 33.829 22.616 1.00 26.02 O ATOM 195 CB LYS A 35 8.769 30.731 22.508 1.00 28.80 C ATOM 196 CG LYS A 35 8.576 29.249 22.802 1.00 30.50 C ATOM 197 CD LYS A 35 9.408 28.362 21.883 1.00 33.82 C ATOM 198 CE LYS A 35 8.639 27.926 20.624 1.00 36.68 C ATOM 199 NZ LYS A 35 7.161 27.922 20.761 1.00 36.21 N ATOM 0 H LYS A 35 6.589 31.895 22.776 1.00 30.23 H new ATOM 0 HA LYS A 35 8.585 31.230 24.478 1.00 28.16 H new ATOM 0 HB2 LYS A 35 8.268 30.959 21.709 1.00 28.80 H new ATOM 0 HB3 LYS A 35 9.705 30.891 22.311 1.00 28.80 H new ATOM 0 HG2 LYS A 35 8.817 29.071 23.725 1.00 30.50 H new ATOM 0 HG3 LYS A 35 7.638 29.022 22.705 1.00 30.50 H new ATOM 0 HD2 LYS A 35 10.210 28.839 21.619 1.00 33.82 H new ATOM 0 HD3 LYS A 35 9.694 27.574 22.372 1.00 33.82 H new ATOM 0 HE2 LYS A 35 8.881 28.516 19.893 1.00 36.68 H new ATOM 0 HE3 LYS A 35 8.930 27.034 20.377 1.00 36.68 H new ATOM 0 HZ1 LYS A 35 6.801 27.475 20.081 1.00 36.21 H new ATOM 0 HZ2 LYS A 35 6.935 27.529 21.527 1.00 36.21 H new ATOM 0 HZ3 LYS A 35 6.860 28.760 20.757 1.00 36.21 H new ATOM 200 N PRO A 36 9.984 33.378 24.320 1.00 21.71 N ATOM 201 CA PRO A 36 10.648 34.674 24.181 1.00 21.59 C ATOM 202 C PRO A 36 11.494 34.622 22.900 1.00 20.72 C ATOM 203 O PRO A 36 12.026 33.568 22.558 1.00 21.44 O ATOM 204 CB PRO A 36 11.539 34.772 25.418 1.00 21.49 C ATOM 205 CG PRO A 36 11.184 33.620 26.283 1.00 24.17 C ATOM 206 CD PRO A 36 10.544 32.586 25.424 1.00 24.15 C ATOM 0 HA PRO A 36 10.046 35.432 24.118 1.00 21.59 H new ATOM 0 HB2 PRO A 36 12.477 34.743 25.172 1.00 21.49 H new ATOM 0 HB3 PRO A 36 11.394 35.611 25.883 1.00 21.49 H new ATOM 0 HG2 PRO A 36 11.976 33.262 26.714 1.00 24.17 H new ATOM 0 HG3 PRO A 36 10.579 33.898 26.988 1.00 24.17 H new ATOM 0 HD2 PRO A 36 11.187 31.933 25.108 1.00 24.15 H new ATOM 0 HD3 PRO A 36 9.855 32.098 25.902 1.00 24.15 H new ATOM 207 N VAL A 37 11.597 35.740 22.186 1.00 20.57 N ATOM 208 CA VAL A 37 12.395 35.814 20.959 1.00 18.98 C ATOM 209 C VAL A 37 13.602 36.722 21.205 1.00 17.86 C ATOM 210 O VAL A 37 13.452 37.818 21.736 1.00 17.97 O ATOM 211 CB VAL A 37 11.585 36.403 19.780 1.00 19.86 C ATOM 212 CG1 VAL A 37 12.501 36.624 18.578 1.00 17.92 C ATOM 213 CG2 VAL A 37 10.438 35.464 19.417 1.00 19.59 C ATOM 0 H VAL A 37 11.208 36.477 22.397 1.00 20.57 H new ATOM 0 HA VAL A 37 12.668 34.912 20.729 1.00 18.98 H new ATOM 0 HB VAL A 37 11.211 37.258 20.044 1.00 19.86 H new ATOM 0 HG11 VAL A 37 11.987 36.993 17.843 1.00 17.92 H new ATOM 0 HG12 VAL A 37 13.209 37.242 18.820 1.00 17.92 H new ATOM 0 HG13 VAL A 37 12.890 35.778 18.307 1.00 17.92 H new ATOM 0 HG21 VAL A 37 9.934 35.839 18.678 1.00 19.59 H new ATOM 0 HG22 VAL A 37 10.796 34.600 19.159 1.00 19.59 H new ATOM 0 HG23 VAL A 37 9.854 35.355 20.184 1.00 19.59 H new ATOM 214 N VAL A 38 14.797 36.265 20.842 1.00 16.36 N ATOM 215 CA VAL A 38 15.995 37.077 21.015 1.00 15.35 C ATOM 216 C VAL A 38 16.510 37.441 19.621 1.00 14.89 C ATOM 217 O VAL A 38 16.553 36.590 18.722 1.00 13.76 O ATOM 218 CB VAL A 38 17.098 36.316 21.790 1.00 15.09 C ATOM 219 CG1 VAL A 38 18.319 37.229 21.996 1.00 15.89 C ATOM 220 CG2 VAL A 38 16.564 35.853 23.131 1.00 15.20 C ATOM 0 H VAL A 38 14.935 35.490 20.495 1.00 16.36 H new ATOM 0 HA VAL A 38 15.773 37.868 21.531 1.00 15.35 H new ATOM 0 HB VAL A 38 17.368 35.540 21.274 1.00 15.09 H new ATOM 0 HG11 VAL A 38 19.006 36.746 22.482 1.00 15.89 H new ATOM 0 HG12 VAL A 38 18.667 37.504 21.133 1.00 15.89 H new ATOM 0 HG13 VAL A 38 18.055 38.013 22.503 1.00 15.89 H new ATOM 0 HG21 VAL A 38 17.260 35.377 23.610 1.00 15.20 H new ATOM 0 HG22 VAL A 38 16.282 36.622 23.650 1.00 15.20 H new ATOM 0 HG23 VAL A 38 15.807 35.263 22.992 1.00 15.20 H new ATOM 221 N LEU A 39 16.875 38.703 19.433 1.00 10.82 N ATOM 222 CA LEU A 39 17.375 39.141 18.143 1.00 10.74 C ATOM 223 C LEU A 39 18.727 39.805 18.292 1.00 13.26 C ATOM 224 O LEU A 39 18.879 40.755 19.084 1.00 13.59 O ATOM 225 CB LEU A 39 16.383 40.113 17.493 1.00 13.02 C ATOM 226 CG LEU A 39 16.888 40.720 16.184 1.00 13.22 C ATOM 227 CD1 LEU A 39 16.689 39.708 15.028 1.00 18.01 C ATOM 228 CD2 LEU A 39 16.153 42.037 15.921 1.00 15.22 C ATOM 0 H LEU A 39 16.841 39.315 20.036 1.00 10.82 H new ATOM 0 HA LEU A 39 17.474 38.362 17.574 1.00 10.74 H new ATOM 0 HB2 LEU A 39 15.549 39.647 17.324 1.00 13.02 H new ATOM 0 HB3 LEU A 39 16.187 40.829 18.118 1.00 13.02 H new ATOM 0 HG LEU A 39 17.837 40.912 16.246 1.00 13.22 H new ATOM 0 HD11 LEU A 39 17.010 40.096 14.199 1.00 18.01 H new ATOM 0 HD12 LEU A 39 17.186 38.897 15.219 1.00 18.01 H new ATOM 0 HD13 LEU A 39 15.746 39.497 14.941 1.00 18.01 H new ATOM 0 HD21 LEU A 39 16.471 42.425 15.091 1.00 15.22 H new ATOM 0 HD22 LEU A 39 15.200 41.868 15.854 1.00 15.22 H new ATOM 0 HD23 LEU A 39 16.322 42.653 16.651 1.00 15.22 H new ATOM 229 N ASP A 40 19.710 39.283 17.552 1.00 8.92 N ATOM 230 CA ASP A 40 21.078 39.804 17.558 1.00 8.05 C ATOM 231 C ASP A 40 21.198 40.675 16.319 1.00 8.59 C ATOM 232 O ASP A 40 21.193 40.161 15.190 1.00 5.98 O ATOM 233 CB ASP A 40 22.084 38.645 17.492 1.00 9.08 C ATOM 234 CG ASP A 40 23.538 39.102 17.298 1.00 12.21 C ATOM 235 OD1 ASP A 40 23.818 40.312 17.202 1.00 13.35 O ATOM 236 OD2 ASP A 40 24.420 38.220 17.247 1.00 17.15 O ATOM 0 H ASP A 40 19.598 38.610 17.028 1.00 8.92 H new ATOM 0 HA ASP A 40 21.266 40.307 18.366 1.00 8.05 H new ATOM 0 HB2 ASP A 40 22.022 38.126 18.309 1.00 9.08 H new ATOM 0 HB3 ASP A 40 21.838 38.055 16.762 1.00 9.08 H new ATOM 237 N MET A 41 21.268 41.988 16.535 1.00 10.86 N ATOM 238 CA MET A 41 21.408 42.967 15.440 1.00 7.60 C ATOM 239 C MET A 41 22.890 43.260 15.288 1.00 8.97 C ATOM 240 O MET A 41 23.527 43.805 16.195 1.00 11.77 O ATOM 241 CB MET A 41 20.653 44.245 15.786 1.00 12.34 C ATOM 242 CG MET A 41 19.202 44.029 16.136 1.00 13.35 C ATOM 243 SD MET A 41 18.305 45.556 16.576 1.00 16.25 S ATOM 244 CE MET A 41 17.940 46.237 14.986 1.00 11.06 C ATOM 0 H MET A 41 21.236 42.342 17.318 1.00 10.86 H new ATOM 0 HA MET A 41 21.041 42.617 14.613 1.00 7.60 H new ATOM 0 HB2 MET A 41 21.095 44.678 16.533 1.00 12.34 H new ATOM 0 HB3 MET A 41 20.707 44.854 15.033 1.00 12.34 H new ATOM 0 HG2 MET A 41 18.757 43.610 15.383 1.00 13.35 H new ATOM 0 HG3 MET A 41 19.148 43.408 16.879 1.00 13.35 H new ATOM 0 HE1 MET A 41 17.496 47.092 15.094 1.00 11.06 H new ATOM 0 HE2 MET A 41 18.764 46.362 14.490 1.00 11.06 H new ATOM 0 HE3 MET A 41 17.359 45.631 14.500 1.00 11.06 H new ATOM 245 N PHE A 42 23.446 42.889 14.143 1.00 8.22 N ATOM 246 CA PHE A 42 24.873 43.064 13.882 1.00 8.49 C ATOM 247 C PHE A 42 25.116 43.636 12.495 1.00 8.91 C ATOM 248 O PHE A 42 24.167 43.895 11.778 1.00 10.95 O ATOM 249 CB PHE A 42 25.586 41.682 13.966 1.00 11.71 C ATOM 250 CG PHE A 42 25.221 40.713 12.824 1.00 12.03 C ATOM 251 CD1 PHE A 42 24.028 39.975 12.866 1.00 10.35 C ATOM 252 CD2 PHE A 42 26.067 40.563 11.711 1.00 9.05 C ATOM 253 CE1 PHE A 42 23.685 39.105 11.820 1.00 7.44 C ATOM 254 CE2 PHE A 42 25.740 39.708 10.669 1.00 10.88 C ATOM 255 CZ PHE A 42 24.548 38.973 10.716 1.00 13.27 C ATOM 0 H PHE A 42 23.010 42.529 13.495 1.00 8.22 H new ATOM 0 HA PHE A 42 25.223 43.679 14.545 1.00 8.49 H new ATOM 0 HB2 PHE A 42 26.546 41.824 13.962 1.00 11.71 H new ATOM 0 HB3 PHE A 42 25.364 41.266 14.813 1.00 11.71 H new ATOM 0 HD1 PHE A 42 23.458 40.064 13.596 1.00 10.35 H new ATOM 0 HD2 PHE A 42 26.861 41.046 11.673 1.00 9.05 H new ATOM 0 HE1 PHE A 42 22.893 38.619 11.856 1.00 7.44 H new ATOM 0 HE2 PHE A 42 26.311 39.623 9.940 1.00 10.88 H new ATOM 0 HZ PHE A 42 24.327 38.399 10.019 1.00 13.27 H new ATOM 256 N THR A 43 26.392 43.831 12.135 1.00 9.87 N ATOM 257 CA THR A 43 26.776 44.263 10.788 1.00 9.11 C ATOM 258 C THR A 43 27.988 43.422 10.436 1.00 9.94 C ATOM 259 O THR A 43 28.572 42.758 11.298 1.00 10.85 O ATOM 260 CB THR A 43 27.261 45.737 10.667 1.00 11.32 C ATOM 261 OG1 THR A 43 28.525 45.884 11.333 1.00 11.80 O ATOM 262 CG2 THR A 43 26.223 46.725 11.211 1.00 12.20 C ATOM 0 H THR A 43 27.057 43.716 12.667 1.00 9.87 H new ATOM 0 HA THR A 43 25.991 44.173 10.225 1.00 9.11 H new ATOM 0 HB THR A 43 27.375 45.947 9.727 1.00 11.32 H new ATOM 0 HG1 THR A 43 29.145 45.671 10.808 1.00 11.80 H new ATOM 0 HG21 THR A 43 26.559 47.630 11.119 1.00 12.20 H new ATOM 0 HG22 THR A 43 25.397 46.635 10.711 1.00 12.20 H new ATOM 0 HG23 THR A 43 26.056 46.536 12.148 1.00 12.20 H new ATOM 263 N GLN A 44 28.373 43.450 9.169 1.00 12.92 N ATOM 264 CA GLN A 44 29.564 42.736 8.739 1.00 10.27 C ATOM 265 C GLN A 44 30.743 43.544 9.288 1.00 12.80 C ATOM 266 O GLN A 44 30.595 44.731 9.617 1.00 11.66 O ATOM 267 CB GLN A 44 29.648 42.723 7.217 1.00 14.30 C ATOM 268 CG GLN A 44 28.458 42.073 6.539 1.00 18.64 C ATOM 269 CD GLN A 44 28.491 40.580 6.728 1.00 19.98 C ATOM 270 OE1 GLN A 44 29.550 39.973 6.620 1.00 26.94 O ATOM 271 NE2 GLN A 44 27.337 39.974 7.027 1.00 22.56 N ATOM 0 H GLN A 44 27.961 43.874 8.545 1.00 12.92 H new ATOM 0 HA GLN A 44 29.559 41.818 9.052 1.00 10.27 H new ATOM 0 HB2 GLN A 44 29.731 43.636 6.899 1.00 14.30 H new ATOM 0 HB3 GLN A 44 30.455 42.256 6.951 1.00 14.30 H new ATOM 0 HG2 GLN A 44 27.635 42.432 6.905 1.00 18.64 H new ATOM 0 HG3 GLN A 44 28.463 42.284 5.592 1.00 18.64 H new ATOM 0 HE21 GLN A 44 26.614 40.435 7.094 1.00 22.56 H new ATOM 0 HE22 GLN A 44 27.318 39.123 7.152 1.00 22.56 H new ATOM 272 N TRP A 45 31.902 42.895 9.384 1.00 13.35 N ATOM 273 CA TRP A 45 33.153 43.517 9.844 1.00 16.36 C ATOM 274 C TRP A 45 33.103 44.070 11.258 1.00 14.46 C ATOM 275 O TRP A 45 33.867 44.970 11.601 1.00 14.31 O ATOM 276 CB TRP A 45 33.569 44.662 8.902 1.00 17.00 C ATOM 277 CG TRP A 45 33.144 44.498 7.469 1.00 19.82 C ATOM 278 CD1 TRP A 45 32.345 45.341 6.735 1.00 20.72 C ATOM 279 CD2 TRP A 45 33.493 43.424 6.602 1.00 20.44 C ATOM 280 NE1 TRP A 45 32.178 44.848 5.462 1.00 20.26 N ATOM 281 CE2 TRP A 45 32.873 43.670 5.355 1.00 21.10 C ATOM 282 CE3 TRP A 45 34.271 42.271 6.759 1.00 19.29 C ATOM 283 CZ2 TRP A 45 33.006 42.810 4.273 1.00 24.13 C ATOM 284 CZ3 TRP A 45 34.403 41.415 5.683 1.00 22.42 C ATOM 285 CH2 TRP A 45 33.773 41.687 4.455 1.00 24.09 C ATOM 0 H TRP A 45 31.989 42.064 9.180 1.00 13.35 H new ATOM 0 HA TRP A 45 33.800 42.794 9.837 1.00 16.36 H new ATOM 0 HB2 TRP A 45 33.198 45.492 9.241 1.00 17.00 H new ATOM 0 HB3 TRP A 45 34.535 44.750 8.930 1.00 17.00 H new ATOM 0 HD1 TRP A 45 31.971 46.131 7.053 1.00 20.72 H new ATOM 0 HE1 TRP A 45 31.715 45.216 4.838 1.00 20.26 H new ATOM 0 HE3 TRP A 45 34.689 42.086 7.569 1.00 19.29 H new ATOM 0 HZ2 TRP A 45 32.593 42.988 3.459 1.00 24.13 H new ATOM 0 HZ3 TRP A 45 34.917 40.645 5.772 1.00 22.42 H new ATOM 0 HH2 TRP A 45 33.879 41.091 3.749 1.00 24.09 H new ATOM 286 N CYS A 46 32.208 43.537 12.072 1.00 12.05 N ATOM 287 CA CYS A 46 32.048 44.015 13.436 1.00 14.90 C ATOM 288 C CYS A 46 32.825 43.160 14.438 1.00 15.18 C ATOM 289 O CYS A 46 32.510 41.987 14.638 1.00 16.15 O ATOM 290 CB CYS A 46 30.559 44.029 13.748 1.00 12.04 C ATOM 291 SG CYS A 46 30.072 44.411 15.442 1.00 12.86 S ATOM 0 H CYS A 46 31.680 42.894 11.854 1.00 12.05 H new ATOM 0 HA CYS A 46 32.415 44.909 13.515 1.00 14.90 H new ATOM 0 HB2 CYS A 46 30.135 44.675 13.161 1.00 12.04 H new ATOM 0 HB3 CYS A 46 30.197 43.159 13.521 1.00 12.04 H new ATOM 292 N GLY A 47 33.845 43.751 15.060 1.00 15.62 N ATOM 293 CA GLY A 47 34.670 43.020 16.013 1.00 16.72 C ATOM 294 C GLY A 47 33.904 42.397 17.164 1.00 18.80 C ATOM 295 O GLY A 47 33.940 41.170 17.319 1.00 19.93 O ATOM 0 H GLY A 47 34.073 44.572 14.943 1.00 15.62 H new ATOM 0 HA2 GLY A 47 35.146 42.320 15.540 1.00 16.72 H new ATOM 0 HA3 GLY A 47 35.338 43.623 16.374 1.00 16.72 H new ATOM 296 N PRO A 48 33.207 43.205 17.994 1.00 18.41 N ATOM 297 CA PRO A 48 32.439 42.671 19.128 1.00 17.55 C ATOM 298 C PRO A 48 31.323 41.709 18.703 1.00 16.72 C ATOM 299 O PRO A 48 30.944 40.820 19.472 1.00 13.89 O ATOM 300 CB PRO A 48 31.894 43.918 19.840 1.00 17.26 C ATOM 301 CG PRO A 48 32.630 45.076 19.255 1.00 20.56 C ATOM 302 CD PRO A 48 33.117 44.672 17.905 1.00 17.15 C ATOM 0 HA PRO A 48 32.995 42.128 19.708 1.00 17.55 H new ATOM 0 HB2 PRO A 48 30.938 44.008 19.701 1.00 17.26 H new ATOM 0 HB3 PRO A 48 32.038 43.862 20.798 1.00 17.26 H new ATOM 0 HG2 PRO A 48 32.049 45.850 19.189 1.00 20.56 H new ATOM 0 HG3 PRO A 48 33.374 45.328 19.824 1.00 20.56 H new ATOM 0 HD2 PRO A 48 32.504 44.950 17.207 1.00 17.15 H new ATOM 0 HD3 PRO A 48 33.978 45.071 17.702 1.00 17.15 H new ATOM 303 N CYS A 49 30.809 41.880 17.480 1.00 15.85 N ATOM 304 CA CYS A 49 29.749 41.004 16.972 1.00 15.95 C ATOM 305 C CYS A 49 30.314 39.598 16.752 1.00 17.42 C ATOM 306 O CYS A 49 29.704 38.609 17.157 1.00 15.78 O ATOM 307 CB CYS A 49 29.165 41.527 15.646 1.00 12.81 C ATOM 308 SG CYS A 49 28.452 43.211 15.682 1.00 14.78 S ATOM 0 H CYS A 49 31.059 42.494 16.932 1.00 15.85 H new ATOM 0 HA CYS A 49 29.036 40.985 17.630 1.00 15.95 H new ATOM 0 HB2 CYS A 49 29.866 41.508 14.976 1.00 12.81 H new ATOM 0 HB3 CYS A 49 28.476 40.911 15.353 1.00 12.81 H new ATOM 309 N LYS A 50 31.478 39.520 16.113 1.00 18.84 N ATOM 310 CA LYS A 50 32.119 38.239 15.829 1.00 21.89 C ATOM 311 C LYS A 50 32.534 37.525 17.115 1.00 21.73 C ATOM 312 O LYS A 50 32.525 36.300 17.188 1.00 23.50 O ATOM 313 CB LYS A 50 33.353 38.444 14.950 1.00 22.87 C ATOM 314 CG LYS A 50 33.049 38.828 13.500 1.00 30.47 C ATOM 315 CD LYS A 50 34.350 38.930 12.687 1.00 33.43 C ATOM 316 CE LYS A 50 34.350 40.118 11.742 1.00 36.39 C ATOM 317 NZ LYS A 50 35.337 41.180 12.141 1.00 33.23 N ATOM 0 H LYS A 50 31.917 40.205 15.833 1.00 18.84 H new ATOM 0 HA LYS A 50 31.471 37.688 15.362 1.00 21.89 H new ATOM 0 HB2 LYS A 50 33.906 39.136 15.346 1.00 22.87 H new ATOM 0 HB3 LYS A 50 33.876 37.627 14.953 1.00 22.87 H new ATOM 0 HG2 LYS A 50 32.462 38.167 13.101 1.00 30.47 H new ATOM 0 HG3 LYS A 50 32.579 39.676 13.476 1.00 30.47 H new ATOM 0 HD2 LYS A 50 35.103 39.003 13.294 1.00 33.43 H new ATOM 0 HD3 LYS A 50 34.475 38.114 12.177 1.00 33.43 H new ATOM 0 HE2 LYS A 50 34.555 39.812 10.845 1.00 36.39 H new ATOM 0 HE3 LYS A 50 33.460 40.503 11.714 1.00 36.39 H new ATOM 0 HZ1 LYS A 50 35.648 41.586 11.412 1.00 33.23 H new ATOM 0 HZ2 LYS A 50 34.935 41.778 12.664 1.00 33.23 H new ATOM 0 HZ3 LYS A 50 36.013 40.806 12.583 1.00 33.23 H new ATOM 318 N ALA A 51 32.910 38.289 18.128 1.00 20.54 N ATOM 319 CA ALA A 51 33.301 37.686 19.392 1.00 22.59 C ATOM 320 C ALA A 51 32.082 37.038 20.065 1.00 22.25 C ATOM 321 O ALA A 51 32.175 35.940 20.628 1.00 25.45 O ATOM 322 CB ALA A 51 33.923 38.747 20.304 1.00 20.92 C ATOM 0 H ALA A 51 32.946 39.148 18.107 1.00 20.54 H new ATOM 0 HA ALA A 51 33.962 36.996 19.226 1.00 22.59 H new ATOM 0 HB1 ALA A 51 34.182 38.339 21.145 1.00 20.92 H new ATOM 0 HB2 ALA A 51 34.706 39.125 19.874 1.00 20.92 H new ATOM 0 HB3 ALA A 51 33.276 39.450 20.471 1.00 20.92 H new ATOM 323 N MET A 52 30.939 37.719 19.990 1.00 19.63 N ATOM 324 CA MET A 52 29.696 37.230 20.582 1.00 18.64 C ATOM 325 C MET A 52 29.050 36.063 19.806 1.00 17.78 C ATOM 326 O MET A 52 28.348 35.249 20.395 1.00 16.49 O ATOM 327 CB MET A 52 28.669 38.367 20.686 1.00 17.73 C ATOM 328 CG MET A 52 28.987 39.431 21.726 1.00 21.41 C ATOM 329 SD MET A 52 28.565 38.919 23.419 1.00 26.81 S ATOM 330 CE MET A 52 27.014 39.754 23.691 1.00 22.55 C ATOM 0 H MET A 52 30.863 38.478 19.594 1.00 19.63 H new ATOM 0 HA MET A 52 29.943 36.897 21.459 1.00 18.64 H new ATOM 0 HB2 MET A 52 28.592 38.795 19.819 1.00 17.73 H new ATOM 0 HB3 MET A 52 27.802 37.983 20.891 1.00 17.73 H new ATOM 0 HG2 MET A 52 29.932 39.645 21.684 1.00 21.41 H new ATOM 0 HG3 MET A 52 28.503 40.243 21.509 1.00 21.41 H new ATOM 0 HE1 MET A 52 27.006 40.139 24.581 1.00 22.55 H new ATOM 0 HE2 MET A 52 26.906 40.458 23.033 1.00 22.55 H new ATOM 0 HE3 MET A 52 26.285 39.119 23.607 1.00 22.55 H new ATOM 331 N ALA A 53 29.308 35.983 18.502 1.00 15.48 N ATOM 332 CA ALA A 53 28.703 34.970 17.654 1.00 17.71 C ATOM 333 C ALA A 53 28.755 33.518 18.161 1.00 18.65 C ATOM 334 O ALA A 53 27.716 32.861 18.256 1.00 16.65 O ATOM 335 CB ALA A 53 29.282 35.060 16.250 1.00 16.47 C ATOM 0 H ALA A 53 29.840 36.517 18.088 1.00 15.48 H new ATOM 0 HA ALA A 53 27.757 35.183 17.665 1.00 17.71 H new ATOM 0 HB1 ALA A 53 28.875 34.382 15.688 1.00 16.47 H new ATOM 0 HB2 ALA A 53 29.100 35.938 15.880 1.00 16.47 H new ATOM 0 HB3 ALA A 53 30.241 34.917 16.285 1.00 16.47 H new ATOM 336 N PRO A 54 29.956 33.000 18.484 1.00 20.98 N ATOM 337 CA PRO A 54 30.080 31.612 18.976 1.00 21.10 C ATOM 338 C PRO A 54 29.290 31.369 20.251 1.00 20.28 C ATOM 339 O PRO A 54 28.700 30.305 20.442 1.00 15.82 O ATOM 340 CB PRO A 54 31.576 31.427 19.226 1.00 20.28 C ATOM 341 CG PRO A 54 32.241 32.646 18.763 1.00 21.07 C ATOM 342 CD PRO A 54 31.251 33.694 18.404 1.00 20.18 C ATOM 0 HA PRO A 54 29.720 30.981 18.334 1.00 21.10 H new ATOM 0 HB2 PRO A 54 31.751 31.278 20.168 1.00 20.28 H new ATOM 0 HB3 PRO A 54 31.910 30.651 18.749 1.00 20.28 H new ATOM 0 HG2 PRO A 54 32.831 32.979 19.457 1.00 21.07 H new ATOM 0 HG3 PRO A 54 32.795 32.443 17.993 1.00 21.07 H new ATOM 0 HD2 PRO A 54 31.290 34.445 19.017 1.00 20.18 H new ATOM 0 HD3 PRO A 54 31.412 34.045 17.514 1.00 20.18 H new ATOM 343 N LYS A 55 29.313 32.372 21.127 1.00 20.17 N ATOM 344 CA LYS A 55 28.618 32.320 22.403 1.00 20.09 C ATOM 345 C LYS A 55 27.106 32.365 22.238 1.00 19.92 C ATOM 346 O LYS A 55 26.366 31.761 23.022 1.00 20.38 O ATOM 347 CB LYS A 55 29.083 33.486 23.287 1.00 22.05 C ATOM 348 CG LYS A 55 30.605 33.587 23.431 1.00 25.42 C ATOM 349 CD LYS A 55 31.006 34.920 24.049 1.00 30.11 C ATOM 350 CE LYS A 55 32.050 34.734 25.137 1.00 33.32 C ATOM 351 NZ LYS A 55 32.469 36.059 25.696 1.00 40.95 N ATOM 0 H LYS A 55 29.738 33.107 20.992 1.00 20.17 H new ATOM 0 HA LYS A 55 28.836 31.474 22.824 1.00 20.09 H new ATOM 0 HB2 LYS A 55 28.746 34.316 22.915 1.00 22.05 H new ATOM 0 HB3 LYS A 55 28.689 33.389 24.168 1.00 22.05 H new ATOM 0 HG2 LYS A 55 30.930 32.859 23.984 1.00 25.42 H new ATOM 0 HG3 LYS A 55 31.023 33.491 22.561 1.00 25.42 H new ATOM 0 HD2 LYS A 55 31.356 35.506 23.360 1.00 30.11 H new ATOM 0 HD3 LYS A 55 30.223 35.355 24.421 1.00 30.11 H new ATOM 0 HE2 LYS A 55 31.691 34.177 25.845 1.00 33.32 H new ATOM 0 HE3 LYS A 55 32.822 34.271 24.776 1.00 33.32 H new ATOM 0 HZ1 LYS A 55 33.080 35.934 26.331 1.00 40.95 H new ATOM 0 HZ2 LYS A 55 32.815 36.559 25.046 1.00 40.95 H new ATOM 0 HZ3 LYS A 55 31.761 36.472 26.043 1.00 40.95 H new ATOM 352 N TYR A 56 26.655 33.092 21.220 1.00 17.62 N ATOM 353 CA TYR A 56 25.233 33.236 20.924 1.00 16.62 C ATOM 354 C TYR A 56 24.654 31.891 20.449 1.00 14.36 C ATOM 355 O TYR A 56 23.539 31.513 20.822 1.00 13.63 O ATOM 356 CB TYR A 56 25.048 34.305 19.834 1.00 10.85 C ATOM 357 CG TYR A 56 23.639 34.778 19.671 1.00 10.89 C ATOM 358 CD1 TYR A 56 22.996 35.470 20.707 1.00 10.44 C ATOM 359 CD2 TYR A 56 22.942 34.572 18.468 1.00 8.66 C ATOM 360 CE1 TYR A 56 21.713 35.951 20.557 1.00 8.83 C ATOM 361 CE2 TYR A 56 21.647 35.054 18.309 1.00 8.63 C ATOM 362 CZ TYR A 56 21.039 35.745 19.360 1.00 11.41 C ATOM 363 OH TYR A 56 19.763 36.231 19.239 1.00 8.51 O ATOM 0 H TYR A 56 27.169 33.518 20.678 1.00 17.62 H new ATOM 0 HA TYR A 56 24.762 33.509 21.727 1.00 16.62 H new ATOM 0 HB2 TYR A 56 25.612 35.066 20.043 1.00 10.85 H new ATOM 0 HB3 TYR A 56 25.358 33.946 18.988 1.00 10.85 H new ATOM 0 HD1 TYR A 56 23.444 35.607 21.511 1.00 10.44 H new ATOM 0 HD2 TYR A 56 23.350 34.109 17.772 1.00 8.66 H new ATOM 0 HE1 TYR A 56 21.301 36.411 21.253 1.00 8.83 H new ATOM 0 HE2 TYR A 56 21.190 34.918 17.511 1.00 8.63 H new ATOM 0 HH TYR A 56 19.593 36.375 18.429 1.00 8.51 H new ATOM 364 N GLU A 57 25.430 31.188 19.627 1.00 16.33 N ATOM 365 CA GLU A 57 25.032 29.886 19.095 1.00 20.86 C ATOM 366 C GLU A 57 24.933 28.865 20.229 1.00 19.37 C ATOM 367 O GLU A 57 24.026 28.040 20.247 1.00 18.09 O ATOM 368 CB GLU A 57 26.045 29.396 18.066 1.00 25.45 C ATOM 369 CG GLU A 57 25.455 29.139 16.703 1.00 36.44 C ATOM 370 CD GLU A 57 26.070 30.040 15.663 1.00 43.57 C ATOM 371 OE1 GLU A 57 27.299 29.922 15.449 1.00 46.23 O ATOM 372 OE2 GLU A 57 25.336 30.868 15.068 1.00 47.20 O ATOM 0 H GLU A 57 26.204 31.453 19.361 1.00 16.33 H new ATOM 0 HA GLU A 57 24.167 29.984 18.668 1.00 20.86 H new ATOM 0 HB2 GLU A 57 26.753 30.054 17.983 1.00 25.45 H new ATOM 0 HB3 GLU A 57 26.454 28.579 18.391 1.00 25.45 H new ATOM 0 HG2 GLU A 57 25.597 28.212 16.456 1.00 36.44 H new ATOM 0 HG3 GLU A 57 24.496 29.281 16.731 1.00 36.44 H new ATOM 373 N LYS A 58 25.866 28.923 21.176 1.00 21.06 N ATOM 374 CA LYS A 58 25.824 28.006 22.312 1.00 21.42 C ATOM 375 C LYS A 58 24.585 28.290 23.166 1.00 20.59 C ATOM 376 O LYS A 58 23.976 27.360 23.711 1.00 20.66 O ATOM 377 CB LYS A 58 27.094 28.141 23.149 1.00 23.73 C ATOM 378 CG LYS A 58 28.310 27.428 22.549 1.00 32.53 C ATOM 379 CD LYS A 58 28.465 26.008 23.102 1.00 36.55 C ATOM 380 CE LYS A 58 29.580 25.939 24.155 1.00 38.86 C ATOM 381 NZ LYS A 58 29.384 24.810 25.113 1.00 41.20 N ATOM 0 H LYS A 58 26.523 29.478 21.181 1.00 21.06 H new ATOM 0 HA LYS A 58 25.772 27.096 21.981 1.00 21.42 H new ATOM 0 HB2 LYS A 58 27.302 29.082 23.256 1.00 23.73 H new ATOM 0 HB3 LYS A 58 26.926 27.785 24.036 1.00 23.73 H new ATOM 0 HG2 LYS A 58 28.220 27.392 21.584 1.00 32.53 H new ATOM 0 HG3 LYS A 58 29.112 27.939 22.740 1.00 32.53 H new ATOM 0 HD2 LYS A 58 27.627 25.719 23.496 1.00 36.55 H new ATOM 0 HD3 LYS A 58 28.664 25.396 22.376 1.00 36.55 H new ATOM 0 HE2 LYS A 58 30.436 25.839 23.711 1.00 38.86 H new ATOM 0 HE3 LYS A 58 29.611 26.775 24.646 1.00 38.86 H new ATOM 0 HZ1 LYS A 58 30.048 24.804 25.705 1.00 41.20 H new ATOM 0 HZ2 LYS A 58 28.609 24.912 25.538 1.00 41.20 H new ATOM 0 HZ3 LYS A 58 29.378 24.040 24.667 1.00 41.20 H new ATOM 382 N LEU A 59 24.209 29.564 23.281 1.00 14.17 N ATOM 383 CA LEU A 59 23.011 29.933 24.036 1.00 15.51 C ATOM 384 C LEU A 59 21.783 29.301 23.387 1.00 14.71 C ATOM 385 O LEU A 59 20.881 28.838 24.083 1.00 18.02 O ATOM 386 CB LEU A 59 22.805 31.459 24.064 1.00 18.21 C ATOM 387 CG LEU A 59 23.660 32.355 24.965 1.00 19.59 C ATOM 388 CD1 LEU A 59 23.171 33.782 24.856 1.00 19.70 C ATOM 389 CD2 LEU A 59 23.569 31.885 26.415 1.00 22.81 C ATOM 0 H LEU A 59 24.631 30.227 22.931 1.00 14.17 H new ATOM 0 HA LEU A 59 23.129 29.614 24.944 1.00 15.51 H new ATOM 0 HB2 LEU A 59 22.920 31.778 23.155 1.00 18.21 H new ATOM 0 HB3 LEU A 59 21.878 31.616 24.304 1.00 18.21 H new ATOM 0 HG LEU A 59 24.586 32.305 24.680 1.00 19.59 H new ATOM 0 HD11 LEU A 59 23.710 34.353 25.425 1.00 19.70 H new ATOM 0 HD12 LEU A 59 23.245 34.080 23.936 1.00 19.70 H new ATOM 0 HD13 LEU A 59 22.244 33.829 25.137 1.00 19.70 H new ATOM 0 HD21 LEU A 59 24.114 32.459 26.976 1.00 22.81 H new ATOM 0 HD22 LEU A 59 22.646 31.925 26.711 1.00 22.81 H new ATOM 0 HD23 LEU A 59 23.889 30.972 26.480 1.00 22.81 H new ATOM 390 N ALA A 60 21.741 29.300 22.052 1.00 13.77 N ATOM 391 CA ALA A 60 20.619 28.724 21.325 1.00 13.83 C ATOM 392 C ALA A 60 20.511 27.220 21.593 1.00 17.26 C ATOM 393 O ALA A 60 19.400 26.670 21.669 1.00 18.88 O ATOM 394 CB ALA A 60 20.763 28.990 19.845 1.00 9.22 C ATOM 0 H ALA A 60 22.357 29.631 21.551 1.00 13.77 H new ATOM 0 HA ALA A 60 19.803 29.145 21.638 1.00 13.83 H new ATOM 0 HB1 ALA A 60 20.011 28.602 19.372 1.00 9.22 H new ATOM 0 HB2 ALA A 60 20.784 29.947 19.689 1.00 9.22 H new ATOM 0 HB3 ALA A 60 21.587 28.592 19.523 1.00 9.22 H new ATOM 395 N GLU A 61 21.656 26.566 21.742 1.00 17.69 N ATOM 396 CA GLU A 61 21.695 25.131 22.028 1.00 22.66 C ATOM 397 C GLU A 61 21.227 24.814 23.459 1.00 25.11 C ATOM 398 O GLU A 61 20.619 23.777 23.697 1.00 26.71 O ATOM 399 CB GLU A 61 23.109 24.597 21.853 1.00 23.61 C ATOM 400 CG GLU A 61 23.557 24.381 20.427 1.00 33.33 C ATOM 401 CD GLU A 61 25.065 24.198 20.343 1.00 37.86 C ATOM 402 OE1 GLU A 61 25.638 23.593 21.275 1.00 42.73 O ATOM 403 OE2 GLU A 61 25.683 24.660 19.361 1.00 42.24 O ATOM 0 H GLU A 61 22.430 26.936 21.681 1.00 17.69 H new ATOM 0 HA GLU A 61 21.090 24.703 21.402 1.00 22.66 H new ATOM 0 HB2 GLU A 61 23.725 25.214 22.278 1.00 23.61 H new ATOM 0 HB3 GLU A 61 23.180 23.754 22.328 1.00 23.61 H new ATOM 0 HG2 GLU A 61 23.113 23.600 20.061 1.00 33.33 H new ATOM 0 HG3 GLU A 61 23.290 25.139 19.884 1.00 33.33 H new ATOM 404 N GLU A 62 21.512 25.700 24.410 1.00 27.23 N ATOM 405 CA GLU A 62 21.097 25.478 25.798 1.00 29.73 C ATOM 406 C GLU A 62 19.670 25.904 26.118 1.00 30.07 C ATOM 407 O GLU A 62 19.013 25.283 26.957 1.00 32.42 O ATOM 408 CB GLU A 62 22.015 26.201 26.788 1.00 33.04 C ATOM 409 CG GLU A 62 23.506 25.971 26.614 1.00 36.89 C ATOM 410 CD GLU A 62 24.298 27.160 27.120 1.00 40.95 C ATOM 411 OE1 GLU A 62 23.703 28.005 27.826 1.00 42.63 O ATOM 412 OE2 GLU A 62 25.500 27.257 26.812 1.00 43.61 O ATOM 0 H GLU A 62 21.942 26.433 24.276 1.00 27.23 H new ATOM 0 HA GLU A 62 21.155 24.515 25.895 1.00 29.73 H new ATOM 0 HB2 GLU A 62 21.844 27.154 26.722 1.00 33.04 H new ATOM 0 HB3 GLU A 62 21.768 25.930 27.686 1.00 33.04 H new ATOM 0 HG2 GLU A 62 23.772 25.172 27.095 1.00 36.89 H new ATOM 0 HG3 GLU A 62 23.707 25.819 25.677 1.00 36.89 H new ATOM 413 N TYR A 63 19.185 26.968 25.488 1.00 25.88 N ATOM 414 CA TYR A 63 17.831 27.414 25.781 1.00 26.75 C ATOM 415 C TYR A 63 16.845 27.088 24.676 1.00 25.84 C ATOM 416 O TYR A 63 16.549 27.931 23.833 1.00 24.19 O ATOM 417 CB TYR A 63 17.830 28.915 26.095 1.00 29.49 C ATOM 418 CG TYR A 63 18.598 29.200 27.359 1.00 32.43 C ATOM 419 CD1 TYR A 63 19.987 29.086 27.385 1.00 36.52 C ATOM 420 CD2 TYR A 63 17.937 29.499 28.552 1.00 35.39 C ATOM 421 CE1 TYR A 63 20.711 29.256 28.566 1.00 39.29 C ATOM 422 CE2 TYR A 63 18.649 29.673 29.745 1.00 38.09 C ATOM 423 CZ TYR A 63 20.035 29.549 29.745 1.00 39.14 C ATOM 424 OH TYR A 63 20.744 29.727 30.917 1.00 40.60 O ATOM 0 H TYR A 63 19.610 27.434 24.903 1.00 25.88 H new ATOM 0 HA TYR A 63 17.530 26.922 26.561 1.00 26.75 H new ATOM 0 HB2 TYR A 63 18.224 29.404 25.356 1.00 29.49 H new ATOM 0 HB3 TYR A 63 16.917 29.229 26.189 1.00 29.49 H new ATOM 0 HD1 TYR A 63 20.442 28.892 26.597 1.00 36.52 H new ATOM 0 HD2 TYR A 63 17.011 29.584 28.554 1.00 35.39 H new ATOM 0 HE1 TYR A 63 21.637 29.174 28.564 1.00 39.29 H new ATOM 0 HE2 TYR A 63 18.198 29.871 30.534 1.00 38.09 H new ATOM 0 HH TYR A 63 21.506 30.033 30.740 1.00 40.60 H new ATOM 425 N LEU A 64 16.320 25.861 24.715 1.00 23.74 N ATOM 426 CA LEU A 64 15.374 25.365 23.712 1.00 22.66 C ATOM 427 C LEU A 64 13.990 25.957 23.772 1.00 20.70 C ATOM 428 O LEU A 64 13.167 25.672 22.912 1.00 22.77 O ATOM 429 CB LEU A 64 15.254 23.840 23.807 1.00 23.88 C ATOM 430 CG LEU A 64 16.564 23.048 23.726 1.00 25.92 C ATOM 431 CD1 LEU A 64 16.231 21.558 23.743 1.00 26.03 C ATOM 432 CD2 LEU A 64 17.341 23.409 22.454 1.00 23.45 C ATOM 0 H LEU A 64 16.505 25.289 25.330 1.00 23.74 H new ATOM 0 HA LEU A 64 15.752 25.649 22.865 1.00 22.66 H new ATOM 0 HB2 LEU A 64 14.817 23.621 24.645 1.00 23.88 H new ATOM 0 HB3 LEU A 64 14.670 23.536 23.095 1.00 23.88 H new ATOM 0 HG LEU A 64 17.125 23.270 24.485 1.00 25.92 H new ATOM 0 HD11 LEU A 64 17.051 21.042 23.692 1.00 26.03 H new ATOM 0 HD12 LEU A 64 15.763 21.340 24.564 1.00 26.03 H new ATOM 0 HD13 LEU A 64 15.667 21.344 22.983 1.00 26.03 H new ATOM 0 HD21 LEU A 64 18.165 22.898 22.422 1.00 23.45 H new ATOM 0 HD22 LEU A 64 16.802 23.201 21.675 1.00 23.45 H new ATOM 0 HD23 LEU A 64 17.549 24.357 22.459 1.00 23.45 H new ATOM 433 N ASP A 65 13.713 26.757 24.795 1.00 21.92 N ATOM 434 CA ASP A 65 12.398 27.374 24.933 1.00 22.40 C ATOM 435 C ASP A 65 12.449 28.849 24.513 1.00 22.00 C ATOM 436 O ASP A 65 11.496 29.613 24.745 1.00 22.12 O ATOM 437 CB ASP A 65 11.900 27.263 26.383 1.00 26.69 C ATOM 438 CG ASP A 65 12.918 27.764 27.395 1.00 28.39 C ATOM 439 OD1 ASP A 65 14.129 27.543 27.194 1.00 32.71 O ATOM 440 OD2 ASP A 65 12.506 28.378 28.396 1.00 34.54 O ATOM 0 H ASP A 65 14.270 26.956 25.419 1.00 21.92 H new ATOM 0 HA ASP A 65 11.781 26.903 24.352 1.00 22.40 H new ATOM 0 HB2 ASP A 65 11.079 27.770 26.478 1.00 26.69 H new ATOM 0 HB3 ASP A 65 11.686 26.337 26.577 1.00 26.69 H new ATOM 441 N VAL A 66 13.571 29.232 23.903 1.00 20.05 N ATOM 442 CA VAL A 66 13.788 30.597 23.428 1.00 17.00 C ATOM 443 C VAL A 66 14.176 30.527 21.947 1.00 15.52 C ATOM 444 O VAL A 66 14.926 29.650 21.541 1.00 17.60 O ATOM 445 CB VAL A 66 14.927 31.278 24.217 1.00 16.10 C ATOM 446 CG1 VAL A 66 15.193 32.683 23.656 1.00 19.31 C ATOM 447 CG2 VAL A 66 14.558 31.359 25.694 1.00 20.64 C ATOM 0 H VAL A 66 14.232 28.702 23.753 1.00 20.05 H new ATOM 0 HA VAL A 66 12.978 31.115 23.553 1.00 17.00 H new ATOM 0 HB VAL A 66 15.735 30.750 24.124 1.00 16.10 H new ATOM 0 HG11 VAL A 66 15.910 33.102 24.158 1.00 19.31 H new ATOM 0 HG12 VAL A 66 15.449 32.616 22.723 1.00 19.31 H new ATOM 0 HG13 VAL A 66 14.389 33.220 23.732 1.00 19.31 H new ATOM 0 HG21 VAL A 66 15.277 31.787 26.184 1.00 20.64 H new ATOM 0 HG22 VAL A 66 13.744 31.876 25.796 1.00 20.64 H new ATOM 0 HG23 VAL A 66 14.418 30.465 26.042 1.00 20.64 H new ATOM 448 N ILE A 67 13.649 31.440 21.139 1.00 15.27 N ATOM 449 CA ILE A 67 13.964 31.473 19.716 1.00 12.85 C ATOM 450 C ILE A 67 15.085 32.497 19.538 1.00 12.94 C ATOM 451 O ILE A 67 14.963 33.638 19.980 1.00 14.64 O ATOM 452 CB ILE A 67 12.703 31.874 18.899 1.00 14.51 C ATOM 453 CG1 ILE A 67 11.699 30.714 18.909 1.00 12.86 C ATOM 454 CG2 ILE A 67 13.083 32.250 17.465 1.00 14.66 C ATOM 455 CD1 ILE A 67 10.334 31.091 18.444 1.00 12.62 C ATOM 0 H ILE A 67 13.104 32.053 21.397 1.00 15.27 H new ATOM 0 HA ILE A 67 14.246 30.603 19.394 1.00 12.85 H new ATOM 0 HB ILE A 67 12.293 32.652 19.309 1.00 14.51 H new ATOM 0 HG12 ILE A 67 12.037 30.001 18.346 1.00 12.86 H new ATOM 0 HG13 ILE A 67 11.638 30.359 19.810 1.00 12.86 H new ATOM 0 HG21 ILE A 67 12.285 32.497 16.973 1.00 14.66 H new ATOM 0 HG22 ILE A 67 13.698 33.000 17.479 1.00 14.66 H new ATOM 0 HG23 ILE A 67 13.508 31.492 17.033 1.00 14.66 H new ATOM 0 HD11 ILE A 67 9.755 30.314 18.476 1.00 12.62 H new ATOM 0 HD12 ILE A 67 9.976 31.785 19.020 1.00 12.62 H new ATOM 0 HD13 ILE A 67 10.382 31.420 17.533 1.00 12.62 H new ATOM 456 N PHE A 68 16.177 32.089 18.908 1.00 11.81 N ATOM 457 CA PHE A 68 17.314 32.978 18.696 1.00 11.21 C ATOM 458 C PHE A 68 17.437 33.356 17.214 1.00 14.55 C ATOM 459 O PHE A 68 17.521 32.477 16.325 1.00 12.48 O ATOM 460 CB PHE A 68 18.604 32.323 19.185 1.00 10.03 C ATOM 461 CG PHE A 68 18.705 32.216 20.689 1.00 13.54 C ATOM 462 CD1 PHE A 68 18.113 31.158 21.368 1.00 15.41 C ATOM 463 CD2 PHE A 68 19.426 33.147 21.419 1.00 14.06 C ATOM 464 CE1 PHE A 68 18.243 31.019 22.754 1.00 17.00 C ATOM 465 CE2 PHE A 68 19.568 33.024 22.814 1.00 20.27 C ATOM 466 CZ PHE A 68 18.976 31.955 23.479 1.00 14.46 C ATOM 0 H PHE A 68 16.282 31.296 18.593 1.00 11.81 H new ATOM 0 HA PHE A 68 17.165 33.788 19.208 1.00 11.21 H new ATOM 0 HB2 PHE A 68 18.671 31.435 18.801 1.00 10.03 H new ATOM 0 HB3 PHE A 68 19.360 32.832 18.854 1.00 10.03 H new ATOM 0 HD1 PHE A 68 17.620 30.530 20.891 1.00 15.41 H new ATOM 0 HD2 PHE A 68 19.823 33.865 20.980 1.00 14.06 H new ATOM 0 HE1 PHE A 68 17.841 30.303 23.190 1.00 17.00 H new ATOM 0 HE2 PHE A 68 20.057 33.656 23.290 1.00 20.27 H new ATOM 0 HZ PHE A 68 19.069 31.866 24.400 1.00 14.46 H new ATOM 467 N LEU A 69 17.430 34.666 16.954 1.00 9.13 N ATOM 468 CA LEU A 69 17.522 35.189 15.588 1.00 10.79 C ATOM 469 C LEU A 69 18.663 36.200 15.416 1.00 8.04 C ATOM 470 O LEU A 69 19.202 36.721 16.386 1.00 11.81 O ATOM 471 CB LEU A 69 16.193 35.860 15.198 1.00 8.24 C ATOM 472 CG LEU A 69 14.866 35.136 15.459 1.00 11.86 C ATOM 473 CD1 LEU A 69 13.698 36.028 15.044 1.00 11.18 C ATOM 474 CD2 LEU A 69 14.812 33.823 14.642 1.00 12.91 C ATOM 0 H LEU A 69 17.372 35.273 17.561 1.00 9.13 H new ATOM 0 HA LEU A 69 17.709 34.434 15.008 1.00 10.79 H new ATOM 0 HB2 LEU A 69 16.153 36.712 15.660 1.00 8.24 H new ATOM 0 HB3 LEU A 69 16.235 36.054 14.248 1.00 8.24 H new ATOM 0 HG LEU A 69 14.802 34.933 16.405 1.00 11.86 H new ATOM 0 HD11 LEU A 69 12.862 35.565 15.211 1.00 11.18 H new ATOM 0 HD12 LEU A 69 13.720 36.850 15.558 1.00 11.18 H new ATOM 0 HD13 LEU A 69 13.769 36.236 14.099 1.00 11.18 H new ATOM 0 HD21 LEU A 69 13.971 33.370 14.812 1.00 12.91 H new ATOM 0 HD22 LEU A 69 14.884 34.027 13.696 1.00 12.91 H new ATOM 0 HD23 LEU A 69 15.547 33.247 14.905 1.00 12.91 H new ATOM 475 N LYS A 70 19.076 36.438 14.187 1.00 9.63 N ATOM 476 CA LYS A 70 20.085 37.457 13.948 1.00 6.82 C ATOM 477 C LYS A 70 19.673 38.231 12.704 1.00 9.17 C ATOM 478 O LYS A 70 19.053 37.689 11.787 1.00 8.12 O ATOM 479 CB LYS A 70 21.484 36.857 13.813 1.00 10.23 C ATOM 480 CG LYS A 70 21.724 35.872 12.684 1.00 10.11 C ATOM 481 CD LYS A 70 23.152 35.343 12.784 1.00 10.33 C ATOM 482 CE LYS A 70 23.677 34.938 11.426 1.00 16.66 C ATOM 483 NZ LYS A 70 24.836 34.028 11.530 1.00 19.03 N ATOM 0 H LYS A 70 18.793 36.030 13.485 1.00 9.63 H new ATOM 0 HA LYS A 70 20.136 38.057 14.708 1.00 6.82 H new ATOM 0 HB2 LYS A 70 22.113 37.588 13.710 1.00 10.23 H new ATOM 0 HB3 LYS A 70 21.700 36.412 14.648 1.00 10.23 H new ATOM 0 HG2 LYS A 70 21.090 35.139 12.738 1.00 10.11 H new ATOM 0 HG3 LYS A 70 21.586 36.304 11.827 1.00 10.11 H new ATOM 0 HD2 LYS A 70 23.727 36.024 13.166 1.00 10.33 H new ATOM 0 HD3 LYS A 70 23.177 34.581 13.384 1.00 10.33 H new ATOM 0 HE2 LYS A 70 22.970 34.504 10.923 1.00 16.66 H new ATOM 0 HE3 LYS A 70 23.933 35.731 10.929 1.00 16.66 H new ATOM 0 HZ1 LYS A 70 25.118 33.811 10.714 1.00 19.03 H new ATOM 0 HZ2 LYS A 70 25.493 34.433 11.972 1.00 19.03 H new ATOM 0 HZ3 LYS A 70 24.596 33.290 11.966 1.00 19.03 H new ATOM 484 N LEU A 71 19.969 39.523 12.711 1.00 11.28 N ATOM 485 CA LEU A 71 19.617 40.414 11.615 1.00 9.30 C ATOM 486 C LEU A 71 20.834 41.222 11.210 1.00 10.11 C ATOM 487 O LEU A 71 21.434 41.907 12.039 1.00 11.61 O ATOM 488 CB LEU A 71 18.497 41.379 12.059 1.00 9.44 C ATOM 489 CG LEU A 71 18.074 42.475 11.064 1.00 9.41 C ATOM 490 CD1 LEU A 71 17.297 41.816 9.942 1.00 11.86 C ATOM 491 CD2 LEU A 71 17.203 43.538 11.725 1.00 8.37 C ATOM 0 H LEU A 71 20.383 39.911 13.357 1.00 11.28 H new ATOM 0 HA LEU A 71 19.307 39.884 10.864 1.00 9.30 H new ATOM 0 HB2 LEU A 71 17.713 40.850 12.274 1.00 9.44 H new ATOM 0 HB3 LEU A 71 18.781 41.812 12.879 1.00 9.44 H new ATOM 0 HG LEU A 71 18.870 42.917 10.730 1.00 9.41 H new ATOM 0 HD11 LEU A 71 17.019 42.489 9.301 1.00 11.86 H new ATOM 0 HD12 LEU A 71 17.860 41.162 9.499 1.00 11.86 H new ATOM 0 HD13 LEU A 71 16.514 41.375 10.306 1.00 11.86 H new ATOM 0 HD21 LEU A 71 16.957 44.209 11.069 1.00 8.37 H new ATOM 0 HD22 LEU A 71 16.401 43.124 12.080 1.00 8.37 H new ATOM 0 HD23 LEU A 71 17.696 43.958 12.447 1.00 8.37 H new ATOM 492 N ASP A 72 21.210 41.136 9.942 1.00 10.51 N ATOM 493 CA ASP A 72 22.344 41.909 9.439 1.00 12.55 C ATOM 494 C ASP A 72 21.790 43.319 9.161 1.00 11.87 C ATOM 495 O ASP A 72 20.930 43.510 8.289 1.00 11.15 O ATOM 496 CB ASP A 72 22.876 41.264 8.161 1.00 11.84 C ATOM 497 CG ASP A 72 24.108 41.966 7.609 1.00 15.16 C ATOM 498 OD1 ASP A 72 24.396 43.117 7.998 1.00 16.24 O ATOM 499 OD2 ASP A 72 24.789 41.351 6.774 1.00 12.85 O ATOM 0 H ASP A 72 20.825 40.638 9.355 1.00 10.51 H new ATOM 0 HA ASP A 72 23.081 41.942 10.069 1.00 12.55 H new ATOM 0 HB2 ASP A 72 23.092 40.335 8.339 1.00 11.84 H new ATOM 0 HB3 ASP A 72 22.178 41.269 7.487 1.00 11.84 H new ATOM 500 N CYS A 73 22.249 44.296 9.934 1.00 12.35 N ATOM 501 CA CYS A 73 21.789 45.677 9.791 1.00 13.26 C ATOM 502 C CYS A 73 22.517 46.385 8.658 1.00 12.95 C ATOM 503 O CYS A 73 23.341 47.264 8.889 1.00 14.55 O ATOM 504 CB CYS A 73 21.996 46.418 11.114 1.00 17.43 C ATOM 505 SG CYS A 73 20.917 45.782 12.429 1.00 19.09 S ATOM 0 H CYS A 73 22.833 44.181 10.554 1.00 12.35 H new ATOM 0 HA CYS A 73 20.845 45.672 9.570 1.00 13.26 H new ATOM 0 HB2 CYS A 73 22.923 46.334 11.389 1.00 17.43 H new ATOM 0 HB3 CYS A 73 21.823 47.364 10.984 1.00 17.43 H new ATOM 0 HG CYS A 73 21.146 46.366 13.452 1.00 19.09 H new ATOM 506 N ASN A 74 22.173 45.991 7.434 1.00 14.12 N ATOM 507 CA ASN A 74 22.760 46.503 6.206 1.00 11.55 C ATOM 508 C ASN A 74 21.786 47.401 5.471 1.00 13.31 C ATOM 509 O ASN A 74 20.703 47.713 5.985 1.00 14.20 O ATOM 510 CB ASN A 74 23.166 45.329 5.301 1.00 13.91 C ATOM 511 CG ASN A 74 21.992 44.381 4.978 1.00 13.18 C ATOM 512 OD1 ASN A 74 20.822 44.726 5.156 1.00 13.42 O ATOM 513 ND2 ASN A 74 22.318 43.177 4.504 1.00 14.07 N ATOM 0 H ASN A 74 21.568 45.396 7.294 1.00 14.12 H new ATOM 0 HA ASN A 74 23.543 47.027 6.436 1.00 11.55 H new ATOM 0 HB2 ASN A 74 23.531 45.677 4.473 1.00 13.91 H new ATOM 0 HB3 ASN A 74 23.873 44.824 5.732 1.00 13.91 H new ATOM 0 HD21 ASN A 74 21.701 42.610 4.311 1.00 14.07 H new ATOM 0 HD22 ASN A 74 23.145 42.969 4.392 1.00 14.07 H new ATOM 514 N GLN A 75 22.150 47.795 4.252 1.00 15.10 N ATOM 515 CA GLN A 75 21.299 48.678 3.460 1.00 15.99 C ATOM 516 C GLN A 75 19.914 48.100 3.196 1.00 17.54 C ATOM 517 O GLN A 75 18.903 48.780 3.383 1.00 17.73 O ATOM 518 CB GLN A 75 21.995 49.028 2.152 1.00 17.10 C ATOM 519 CG GLN A 75 23.199 49.938 2.359 1.00 18.21 C ATOM 520 CD GLN A 75 23.904 50.322 1.059 1.00 20.25 C ATOM 521 OE1 GLN A 75 24.703 49.562 0.519 1.00 17.30 O ATOM 522 NE2 GLN A 75 23.614 51.517 0.562 1.00 20.76 N ATOM 0 H GLN A 75 22.883 47.563 3.867 1.00 15.10 H new ATOM 0 HA GLN A 75 21.159 49.483 3.983 1.00 15.99 H new ATOM 0 HB2 GLN A 75 22.281 48.212 1.713 1.00 17.10 H new ATOM 0 HB3 GLN A 75 21.363 49.463 1.559 1.00 17.10 H new ATOM 0 HG2 GLN A 75 22.911 50.745 2.813 1.00 18.21 H new ATOM 0 HG3 GLN A 75 23.833 49.495 2.944 1.00 18.21 H new ATOM 0 HE21 GLN A 75 23.049 52.025 0.965 1.00 20.76 H new ATOM 0 HE22 GLN A 75 23.991 51.784 -0.164 1.00 20.76 H new ATOM 523 N GLU A 76 19.857 46.839 2.792 1.00 17.24 N ATOM 524 CA GLU A 76 18.580 46.190 2.512 1.00 17.87 C ATOM 525 C GLU A 76 17.616 46.156 3.711 1.00 18.06 C ATOM 526 O GLU A 76 16.402 46.334 3.564 1.00 18.60 O ATOM 527 CB GLU A 76 18.859 44.762 2.017 1.00 26.04 C ATOM 528 CG GLU A 76 17.633 43.962 1.563 1.00 38.36 C ATOM 529 CD GLU A 76 17.765 42.459 1.848 1.00 44.22 C ATOM 530 OE1 GLU A 76 18.860 41.899 1.585 1.00 44.67 O ATOM 531 OE2 GLU A 76 16.772 41.850 2.330 1.00 44.34 O ATOM 0 H GLU A 76 20.546 46.339 2.673 1.00 17.24 H new ATOM 0 HA GLU A 76 18.131 46.719 1.834 1.00 17.87 H new ATOM 0 HB2 GLU A 76 19.484 44.811 1.277 1.00 26.04 H new ATOM 0 HB3 GLU A 76 19.299 44.271 2.729 1.00 26.04 H new ATOM 0 HG2 GLU A 76 16.844 44.304 2.012 1.00 38.36 H new ATOM 0 HG3 GLU A 76 17.498 44.096 0.612 1.00 38.36 H new ATOM 532 N ASN A 77 18.152 45.936 4.905 1.00 17.22 N ATOM 533 CA ASN A 77 17.322 45.828 6.113 1.00 15.43 C ATOM 534 C ASN A 77 17.199 47.095 6.927 1.00 17.13 C ATOM 535 O ASN A 77 16.678 47.062 8.040 1.00 16.07 O ATOM 536 CB ASN A 77 17.876 44.734 7.028 1.00 12.22 C ATOM 537 CG ASN A 77 17.757 43.381 6.419 1.00 11.95 C ATOM 538 OD1 ASN A 77 16.761 43.087 5.775 1.00 13.27 O ATOM 539 ND2 ASN A 77 18.764 42.549 6.600 1.00 9.93 N ATOM 0 H ASN A 77 18.996 45.845 5.044 1.00 17.22 H new ATOM 0 HA ASN A 77 16.434 45.621 5.782 1.00 15.43 H new ATOM 0 HB2 ASN A 77 18.808 44.919 7.223 1.00 12.22 H new ATOM 0 HB3 ASN A 77 17.401 44.750 7.873 1.00 12.22 H new ATOM 0 HD21 ASN A 77 18.737 41.761 6.258 1.00 9.93 H new ATOM 0 HD22 ASN A 77 19.448 42.795 7.060 1.00 9.93 H new ATOM 540 N LYS A 78 17.662 48.201 6.356 1.00 18.03 N ATOM 541 CA LYS A 78 17.659 49.510 6.997 1.00 19.89 C ATOM 542 C LYS A 78 16.360 49.883 7.715 1.00 19.27 C ATOM 543 O LYS A 78 16.372 50.234 8.900 1.00 18.55 O ATOM 544 CB LYS A 78 18.009 50.564 5.937 1.00 26.76 C ATOM 545 CG LYS A 78 18.401 51.917 6.482 1.00 35.52 C ATOM 546 CD LYS A 78 18.096 53.009 5.461 1.00 41.00 C ATOM 547 CE LYS A 78 18.984 54.229 5.684 1.00 45.83 C ATOM 548 NZ LYS A 78 19.763 54.146 6.965 1.00 46.75 N ATOM 0 H LYS A 78 17.996 48.211 5.563 1.00 18.03 H new ATOM 0 HA LYS A 78 18.321 49.476 7.705 1.00 19.89 H new ATOM 0 HB2 LYS A 78 18.738 50.226 5.394 1.00 26.76 H new ATOM 0 HB3 LYS A 78 17.246 50.677 5.349 1.00 26.76 H new ATOM 0 HG2 LYS A 78 17.920 52.092 7.306 1.00 35.52 H new ATOM 0 HG3 LYS A 78 19.346 51.924 6.699 1.00 35.52 H new ATOM 0 HD2 LYS A 78 18.232 52.665 4.564 1.00 41.00 H new ATOM 0 HD3 LYS A 78 17.163 53.267 5.527 1.00 41.00 H new ATOM 0 HE2 LYS A 78 19.600 54.318 4.940 1.00 45.83 H new ATOM 0 HE3 LYS A 78 18.434 55.028 5.694 1.00 45.83 H new ATOM 0 HZ1 LYS A 78 20.079 54.951 7.173 1.00 46.75 H new ATOM 0 HZ2 LYS A 78 19.231 53.859 7.618 1.00 46.75 H new ATOM 0 HZ3 LYS A 78 20.441 53.579 6.864 1.00 46.75 H new ATOM 549 N THR A 79 15.242 49.807 7.001 1.00 19.93 N ATOM 550 CA THR A 79 13.937 50.153 7.568 1.00 22.35 C ATOM 551 C THR A 79 13.581 49.408 8.871 1.00 21.81 C ATOM 552 O THR A 79 13.036 50.008 9.810 1.00 20.41 O ATOM 553 CB THR A 79 12.815 49.917 6.528 1.00 22.80 C ATOM 554 OG1 THR A 79 12.928 48.592 5.982 1.00 26.91 O ATOM 555 CG2 THR A 79 12.940 50.924 5.399 1.00 24.11 C ATOM 0 H THR A 79 15.215 49.555 6.179 1.00 19.93 H new ATOM 0 HA THR A 79 14.006 51.093 7.799 1.00 22.35 H new ATOM 0 HB THR A 79 11.956 50.020 6.966 1.00 22.80 H new ATOM 0 HG1 THR A 79 12.317 48.467 5.419 1.00 26.91 H new ATOM 0 HG21 THR A 79 12.235 50.772 4.750 1.00 24.11 H new ATOM 0 HG22 THR A 79 12.862 51.822 5.756 1.00 24.11 H new ATOM 0 HG23 THR A 79 13.803 50.822 4.968 1.00 24.11 H new ATOM 556 N LEU A 80 13.891 48.111 8.930 1.00 18.70 N ATOM 557 CA LEU A 80 13.584 47.316 10.119 1.00 17.80 C ATOM 558 C LEU A 80 14.545 47.624 11.269 1.00 16.80 C ATOM 559 O LEU A 80 14.127 47.686 12.418 1.00 16.50 O ATOM 560 CB LEU A 80 13.615 45.816 9.788 1.00 16.84 C ATOM 561 CG LEU A 80 13.297 44.859 10.942 1.00 16.03 C ATOM 562 CD1 LEU A 80 11.820 44.960 11.310 1.00 16.08 C ATOM 563 CD2 LEU A 80 13.671 43.432 10.541 1.00 17.86 C ATOM 0 H LEU A 80 14.277 47.676 8.296 1.00 18.70 H new ATOM 0 HA LEU A 80 12.690 47.557 10.407 1.00 17.80 H new ATOM 0 HB2 LEU A 80 12.983 45.649 9.071 1.00 16.84 H new ATOM 0 HB3 LEU A 80 14.496 45.598 9.446 1.00 16.84 H new ATOM 0 HG LEU A 80 13.818 45.104 11.723 1.00 16.03 H new ATOM 0 HD11 LEU A 80 11.626 44.352 12.040 1.00 16.08 H new ATOM 0 HD12 LEU A 80 11.616 45.868 11.583 1.00 16.08 H new ATOM 0 HD13 LEU A 80 11.278 44.724 10.541 1.00 16.08 H new ATOM 0 HD21 LEU A 80 13.469 42.827 11.272 1.00 17.86 H new ATOM 0 HD22 LEU A 80 13.162 43.172 9.757 1.00 17.86 H new ATOM 0 HD23 LEU A 80 14.619 43.390 10.339 1.00 17.86 H new ATOM 564 N ALA A 81 15.831 47.798 10.960 1.00 17.47 N ATOM 565 CA ALA A 81 16.816 48.128 11.986 1.00 18.01 C ATOM 566 C ALA A 81 16.386 49.453 12.664 1.00 18.71 C ATOM 567 O ALA A 81 16.383 49.575 13.889 1.00 17.58 O ATOM 568 CB ALA A 81 18.202 48.269 11.348 1.00 11.67 C ATOM 0 H ALA A 81 16.151 47.729 10.165 1.00 17.47 H new ATOM 0 HA ALA A 81 16.863 47.424 12.651 1.00 18.01 H new ATOM 0 HB1 ALA A 81 18.853 48.488 12.033 1.00 11.67 H new ATOM 0 HB2 ALA A 81 18.449 47.433 10.923 1.00 11.67 H new ATOM 0 HB3 ALA A 81 18.182 48.975 10.684 1.00 11.67 H new ATOM 569 N LYS A 82 15.996 50.437 11.858 1.00 21.18 N ATOM 570 CA LYS A 82 15.549 51.724 12.391 1.00 23.59 C ATOM 571 C LYS A 82 14.275 51.548 13.215 1.00 21.57 C ATOM 572 O LYS A 82 14.172 52.062 14.325 1.00 21.23 O ATOM 573 CB LYS A 82 15.293 52.709 11.248 1.00 28.71 C ATOM 574 CG LYS A 82 16.356 53.799 11.092 1.00 36.80 C ATOM 575 CD LYS A 82 15.785 55.033 10.363 1.00 41.99 C ATOM 576 CE LYS A 82 14.565 55.629 11.090 1.00 46.21 C ATOM 577 NZ LYS A 82 13.444 56.011 10.163 1.00 47.01 N ATOM 0 H LYS A 82 15.982 50.381 11.000 1.00 21.18 H new ATOM 0 HA LYS A 82 16.247 52.077 12.965 1.00 23.59 H new ATOM 0 HB2 LYS A 82 15.232 52.212 10.417 1.00 28.71 H new ATOM 0 HB3 LYS A 82 14.432 53.132 11.389 1.00 28.71 H new ATOM 0 HG2 LYS A 82 16.686 54.060 11.966 1.00 36.80 H new ATOM 0 HG3 LYS A 82 17.112 53.448 10.596 1.00 36.80 H new ATOM 0 HD2 LYS A 82 16.476 55.710 10.287 1.00 41.99 H new ATOM 0 HD3 LYS A 82 15.531 54.784 9.460 1.00 41.99 H new ATOM 0 HE2 LYS A 82 14.236 54.985 11.736 1.00 46.21 H new ATOM 0 HE3 LYS A 82 14.845 56.413 11.588 1.00 46.21 H new ATOM 0 HZ1 LYS A 82 12.769 56.348 10.636 1.00 47.01 H new ATOM 0 HZ2 LYS A 82 13.733 56.621 9.583 1.00 47.01 H new ATOM 0 HZ3 LYS A 82 13.165 55.290 9.721 1.00 47.01 H new ATOM 578 N GLU A 83 13.307 50.817 12.667 1.00 20.54 N ATOM 579 CA GLU A 83 12.042 50.552 13.359 1.00 20.60 C ATOM 580 C GLU A 83 12.288 49.921 14.736 1.00 20.10 C ATOM 581 O GLU A 83 11.584 50.197 15.698 1.00 18.18 O ATOM 582 CB GLU A 83 11.178 49.595 12.527 1.00 22.23 C ATOM 583 CG GLU A 83 9.930 49.109 13.256 1.00 29.96 C ATOM 584 CD GLU A 83 9.145 48.050 12.486 1.00 33.30 C ATOM 585 OE1 GLU A 83 9.480 47.770 11.316 1.00 35.61 O ATOM 586 OE2 GLU A 83 8.184 47.497 13.058 1.00 35.56 O ATOM 0 H GLU A 83 13.362 50.461 11.886 1.00 20.54 H new ATOM 0 HA GLU A 83 11.585 51.400 13.475 1.00 20.60 H new ATOM 0 HB2 GLU A 83 10.912 50.041 11.708 1.00 22.23 H new ATOM 0 HB3 GLU A 83 11.713 48.828 12.271 1.00 22.23 H new ATOM 0 HG2 GLU A 83 10.189 48.746 14.118 1.00 29.96 H new ATOM 0 HG3 GLU A 83 9.351 49.867 13.430 1.00 29.96 H new ATOM 587 N LEU A 84 13.292 49.060 14.819 1.00 18.87 N ATOM 588 CA LEU A 84 13.592 48.393 16.073 1.00 23.25 C ATOM 589 C LEU A 84 14.379 49.307 16.991 1.00 23.16 C ATOM 590 O LEU A 84 14.382 49.123 18.204 1.00 26.30 O ATOM 591 CB LEU A 84 14.358 47.084 15.808 1.00 21.35 C ATOM 592 CG LEU A 84 13.470 45.945 15.278 1.00 18.84 C ATOM 593 CD1 LEU A 84 14.319 44.725 14.951 1.00 20.44 C ATOM 594 CD2 LEU A 84 12.434 45.587 16.305 1.00 19.37 C ATOM 0 H LEU A 84 13.808 48.850 14.164 1.00 18.87 H new ATOM 0 HA LEU A 84 12.757 48.174 16.516 1.00 23.25 H new ATOM 0 HB2 LEU A 84 15.066 47.257 15.167 1.00 21.35 H new ATOM 0 HB3 LEU A 84 14.784 46.796 16.630 1.00 21.35 H new ATOM 0 HG LEU A 84 13.027 46.243 14.468 1.00 18.84 H new ATOM 0 HD11 LEU A 84 13.749 44.014 14.618 1.00 20.44 H new ATOM 0 HD12 LEU A 84 14.974 44.958 14.274 1.00 20.44 H new ATOM 0 HD13 LEU A 84 14.776 44.424 15.752 1.00 20.44 H new ATOM 0 HD21 LEU A 84 11.877 44.869 15.966 1.00 19.37 H new ATOM 0 HD22 LEU A 84 12.873 45.298 17.120 1.00 19.37 H new ATOM 0 HD23 LEU A 84 11.882 46.363 16.492 1.00 19.37 H new ATOM 595 N GLY A 85 15.031 50.303 16.405 1.00 25.98 N ATOM 596 CA GLY A 85 15.807 51.232 17.194 1.00 29.26 C ATOM 597 C GLY A 85 17.221 50.728 17.396 1.00 31.98 C ATOM 598 O GLY A 85 17.496 49.946 18.315 1.00 37.22 O ATOM 0 H GLY A 85 15.034 50.454 15.558 1.00 25.98 H new ATOM 0 HA2 GLY A 85 15.828 52.096 16.753 1.00 29.26 H new ATOM 0 HA3 GLY A 85 15.381 51.363 18.056 1.00 29.26 H new ATOM 599 N ILE A 86 18.131 51.165 16.538 1.00 28.60 N ATOM 600 CA ILE A 86 19.516 50.737 16.655 1.00 25.21 C ATOM 601 C ILE A 86 20.409 51.965 16.691 1.00 24.42 C ATOM 602 O ILE A 86 20.129 52.968 16.035 1.00 24.71 O ATOM 603 CB ILE A 86 19.923 49.825 15.474 1.00 21.57 C ATOM 604 CG1 ILE A 86 21.419 49.509 15.537 1.00 21.74 C ATOM 605 CG2 ILE A 86 19.583 50.493 14.173 1.00 21.90 C ATOM 606 CD1 ILE A 86 21.749 48.209 16.253 1.00 26.01 C ATOM 0 H ILE A 86 17.970 51.704 15.887 1.00 28.60 H new ATOM 0 HA ILE A 86 19.617 50.225 17.473 1.00 25.21 H new ATOM 0 HB ILE A 86 19.432 48.991 15.536 1.00 21.57 H new ATOM 0 HG12 ILE A 86 21.769 49.467 14.633 1.00 21.74 H new ATOM 0 HG13 ILE A 86 21.875 50.239 15.985 1.00 21.74 H new ATOM 0 HG21 ILE A 86 19.840 49.917 13.436 1.00 21.90 H new ATOM 0 HG22 ILE A 86 18.628 50.660 14.134 1.00 21.90 H new ATOM 0 HG23 ILE A 86 20.061 51.335 14.107 1.00 21.90 H new ATOM 0 HD11 ILE A 86 22.710 48.075 16.254 1.00 26.01 H new ATOM 0 HD12 ILE A 86 21.428 48.252 17.167 1.00 26.01 H new ATOM 0 HD13 ILE A 86 21.320 47.469 15.795 1.00 26.01 H new ATOM 607 N ARG A 87 21.480 51.878 17.467 1.00 24.32 N ATOM 608 CA ARG A 87 22.424 52.976 17.593 1.00 24.95 C ATOM 609 C ARG A 87 23.832 52.419 17.366 1.00 22.22 C ATOM 610 O ARG A 87 24.637 52.994 16.628 1.00 19.15 O ATOM 611 CB ARG A 87 22.283 53.598 18.990 1.00 30.75 C ATOM 612 CG ARG A 87 23.315 54.642 19.368 1.00 42.72 C ATOM 613 CD ARG A 87 22.861 55.412 20.612 1.00 51.65 C ATOM 614 NE ARG A 87 21.722 56.287 20.323 1.00 61.03 N ATOM 615 CZ ARG A 87 20.556 56.259 20.968 1.00 64.37 C ATOM 616 NH1 ARG A 87 20.346 55.399 21.962 1.00 66.04 N ATOM 617 NH2 ARG A 87 19.588 57.095 20.610 1.00 65.03 N ATOM 0 H ARG A 87 21.679 51.184 17.934 1.00 24.32 H new ATOM 0 HA ARG A 87 22.251 53.670 16.938 1.00 24.95 H new ATOM 0 HB2 ARG A 87 21.403 54.002 19.056 1.00 30.75 H new ATOM 0 HB3 ARG A 87 22.318 52.884 19.646 1.00 30.75 H new ATOM 0 HG2 ARG A 87 24.169 54.215 19.538 1.00 42.72 H new ATOM 0 HG3 ARG A 87 23.448 55.257 18.630 1.00 42.72 H new ATOM 0 HD2 ARG A 87 22.618 54.784 21.310 1.00 51.65 H new ATOM 0 HD3 ARG A 87 23.599 55.942 20.952 1.00 51.65 H new ATOM 0 HE ARG A 87 21.813 56.862 19.690 1.00 61.03 H new ATOM 0 HH11 ARG A 87 20.967 54.852 22.196 1.00 66.04 H new ATOM 0 HH12 ARG A 87 19.589 55.391 22.371 1.00 66.04 H new ATOM 0 HH21 ARG A 87 19.716 57.650 19.966 1.00 65.03 H new ATOM 0 HH22 ARG A 87 18.834 57.081 21.023 1.00 65.03 H new ATOM 618 N VAL A 88 24.116 51.276 17.979 1.00 17.99 N ATOM 619 CA VAL A 88 25.426 50.660 17.849 1.00 18.04 C ATOM 620 C VAL A 88 25.258 49.132 17.825 1.00 17.46 C ATOM 621 O VAL A 88 24.278 48.607 18.345 1.00 17.25 O ATOM 622 CB VAL A 88 26.348 51.120 19.044 1.00 21.04 C ATOM 623 CG1 VAL A 88 25.793 50.616 20.365 1.00 24.91 C ATOM 624 CG2 VAL A 88 27.773 50.655 18.853 1.00 18.17 C ATOM 0 H VAL A 88 23.563 50.842 18.475 1.00 17.99 H new ATOM 0 HA VAL A 88 25.850 50.937 17.022 1.00 18.04 H new ATOM 0 HB VAL A 88 26.355 52.090 19.059 1.00 21.04 H new ATOM 0 HG11 VAL A 88 26.369 50.906 21.090 1.00 24.91 H new ATOM 0 HG12 VAL A 88 24.901 50.973 20.499 1.00 24.91 H new ATOM 0 HG13 VAL A 88 25.754 49.647 20.351 1.00 24.91 H new ATOM 0 HG21 VAL A 88 28.314 50.952 19.601 1.00 18.17 H new ATOM 0 HG22 VAL A 88 27.794 49.686 18.804 1.00 18.17 H new ATOM 0 HG23 VAL A 88 28.128 51.027 18.031 1.00 18.17 H new ATOM 625 N VAL A 89 26.194 48.434 17.186 1.00 12.78 N ATOM 626 CA VAL A 89 26.136 46.969 17.132 1.00 14.66 C ATOM 627 C VAL A 89 27.276 46.369 17.968 1.00 13.75 C ATOM 628 O VAL A 89 28.336 46.973 18.118 1.00 13.89 O ATOM 629 CB VAL A 89 26.231 46.422 15.648 1.00 11.50 C ATOM 630 CG1 VAL A 89 25.030 46.887 14.837 1.00 12.22 C ATOM 631 CG2 VAL A 89 27.527 46.868 14.982 1.00 5.33 C ATOM 0 H VAL A 89 26.867 48.783 16.780 1.00 12.78 H new ATOM 0 HA VAL A 89 25.277 46.701 17.495 1.00 14.66 H new ATOM 0 HB VAL A 89 26.230 45.453 15.682 1.00 11.50 H new ATOM 0 HG11 VAL A 89 25.099 46.546 13.931 1.00 12.22 H new ATOM 0 HG12 VAL A 89 24.215 46.555 15.245 1.00 12.22 H new ATOM 0 HG13 VAL A 89 25.009 47.857 14.816 1.00 12.22 H new ATOM 0 HG21 VAL A 89 27.562 46.521 14.077 1.00 5.33 H new ATOM 0 HG22 VAL A 89 27.562 47.837 14.958 1.00 5.33 H new ATOM 0 HG23 VAL A 89 28.283 46.530 15.486 1.00 5.33 H new ATOM 632 N PRO A 90 27.054 45.178 18.550 1.00 15.42 N ATOM 633 CA PRO A 90 25.780 44.449 18.419 1.00 15.78 C ATOM 634 C PRO A 90 24.735 44.960 19.405 1.00 13.51 C ATOM 635 O PRO A 90 25.084 45.494 20.459 1.00 18.15 O ATOM 636 CB PRO A 90 26.170 43.008 18.737 1.00 14.90 C ATOM 637 CG PRO A 90 27.296 43.166 19.750 1.00 15.87 C ATOM 638 CD PRO A 90 28.049 44.420 19.338 1.00 15.11 C ATOM 0 HA PRO A 90 25.377 44.555 17.543 1.00 15.78 H new ATOM 0 HB2 PRO A 90 25.425 42.508 19.105 1.00 14.90 H new ATOM 0 HB3 PRO A 90 26.466 42.534 17.944 1.00 14.90 H new ATOM 0 HG2 PRO A 90 26.945 43.251 20.650 1.00 15.87 H new ATOM 0 HG3 PRO A 90 27.880 42.392 19.745 1.00 15.87 H new ATOM 0 HD2 PRO A 90 28.352 44.924 20.109 1.00 15.11 H new ATOM 0 HD3 PRO A 90 28.835 44.207 18.811 1.00 15.11 H new ATOM 639 N THR A 91 23.461 44.843 19.056 1.00 12.72 N ATOM 640 CA THR A 91 22.406 45.206 19.994 1.00 12.78 C ATOM 641 C THR A 91 21.519 43.960 20.035 1.00 13.74 C ATOM 642 O THR A 91 21.291 43.352 18.989 1.00 12.93 O ATOM 643 CB THR A 91 21.548 46.436 19.549 1.00 13.56 C ATOM 644 OG1 THR A 91 22.288 47.642 19.768 1.00 13.57 O ATOM 645 CG2 THR A 91 20.235 46.516 20.377 1.00 10.97 C ATOM 0 H THR A 91 23.187 44.559 18.292 1.00 12.72 H new ATOM 0 HA THR A 91 22.788 45.468 20.846 1.00 12.78 H new ATOM 0 HB THR A 91 21.334 46.332 18.609 1.00 13.56 H new ATOM 0 HG1 THR A 91 22.874 47.723 19.172 1.00 13.57 H new ATOM 0 HG21 THR A 91 19.716 47.283 20.088 1.00 10.97 H new ATOM 0 HG22 THR A 91 19.717 45.707 20.242 1.00 10.97 H new ATOM 0 HG23 THR A 91 20.451 46.608 21.318 1.00 10.97 H new ATOM 646 N PHE A 92 21.059 43.565 21.232 1.00 11.58 N ATOM 647 CA PHE A 92 20.171 42.404 21.381 1.00 11.94 C ATOM 648 C PHE A 92 18.793 42.852 21.821 1.00 11.74 C ATOM 649 O PHE A 92 18.656 43.544 22.824 1.00 14.75 O ATOM 650 CB PHE A 92 20.719 41.409 22.418 1.00 14.16 C ATOM 651 CG PHE A 92 22.045 40.834 22.052 1.00 13.39 C ATOM 652 CD1 PHE A 92 23.217 41.495 22.413 1.00 11.65 C ATOM 653 CD2 PHE A 92 22.126 39.679 21.276 1.00 12.14 C ATOM 654 CE1 PHE A 92 24.459 41.024 22.002 1.00 13.25 C ATOM 655 CE2 PHE A 92 23.369 39.195 20.856 1.00 10.79 C ATOM 656 CZ PHE A 92 24.541 39.871 21.218 1.00 13.79 C ATOM 0 H PHE A 92 21.252 43.959 21.972 1.00 11.58 H new ATOM 0 HA PHE A 92 20.120 41.965 20.518 1.00 11.94 H new ATOM 0 HB2 PHE A 92 20.795 41.856 23.275 1.00 14.16 H new ATOM 0 HB3 PHE A 92 20.082 40.687 22.530 1.00 14.16 H new ATOM 0 HD1 PHE A 92 23.168 42.262 22.936 1.00 11.65 H new ATOM 0 HD2 PHE A 92 21.349 39.228 21.036 1.00 12.14 H new ATOM 0 HE1 PHE A 92 25.234 41.476 22.249 1.00 13.25 H new ATOM 0 HE2 PHE A 92 23.417 38.425 20.337 1.00 10.79 H new ATOM 0 HZ PHE A 92 25.369 39.554 20.938 1.00 13.79 H new ATOM 657 N LYS A 93 17.773 42.487 21.062 1.00 10.23 N ATOM 658 CA LYS A 93 16.410 42.840 21.434 1.00 11.45 C ATOM 659 C LYS A 93 15.781 41.556 21.955 1.00 14.29 C ATOM 660 O LYS A 93 16.057 40.473 21.427 1.00 13.53 O ATOM 661 CB LYS A 93 15.580 43.322 20.230 1.00 10.32 C ATOM 662 CG LYS A 93 16.095 44.556 19.527 1.00 13.39 C ATOM 663 CD LYS A 93 15.580 45.818 20.195 1.00 15.61 C ATOM 664 CE LYS A 93 16.395 47.022 19.753 1.00 18.76 C ATOM 665 NZ LYS A 93 15.884 48.290 20.332 1.00 20.22 N ATOM 0 H LYS A 93 17.845 42.038 20.332 1.00 10.23 H new ATOM 0 HA LYS A 93 16.425 43.561 22.082 1.00 11.45 H new ATOM 0 HB2 LYS A 93 15.529 42.600 19.584 1.00 10.32 H new ATOM 0 HB3 LYS A 93 14.675 43.497 20.532 1.00 10.32 H new ATOM 0 HG2 LYS A 93 17.065 44.555 19.534 1.00 13.39 H new ATOM 0 HG3 LYS A 93 15.818 44.542 18.597 1.00 13.39 H new ATOM 0 HD2 LYS A 93 14.646 45.952 19.970 1.00 15.61 H new ATOM 0 HD3 LYS A 93 15.629 45.723 21.159 1.00 15.61 H new ATOM 0 HE2 LYS A 93 17.320 46.898 20.016 1.00 18.76 H new ATOM 0 HE3 LYS A 93 16.381 47.082 18.785 1.00 18.76 H new ATOM 0 HZ1 LYS A 93 15.619 48.831 19.676 1.00 20.22 H new ATOM 0 HZ2 LYS A 93 15.196 48.115 20.868 1.00 20.22 H new ATOM 0 HZ3 LYS A 93 16.530 48.685 20.799 1.00 20.22 H new ATOM 666 N ILE A 94 14.956 41.683 22.993 1.00 14.21 N ATOM 667 CA ILE A 94 14.245 40.547 23.568 1.00 16.26 C ATOM 668 C ILE A 94 12.774 40.882 23.374 1.00 16.91 C ATOM 669 O ILE A 94 12.327 41.973 23.751 1.00 14.10 O ATOM 670 CB ILE A 94 14.534 40.374 25.081 1.00 16.98 C ATOM 671 CG1 ILE A 94 16.010 40.015 25.310 1.00 19.11 C ATOM 672 CG2 ILE A 94 13.666 39.253 25.626 1.00 19.75 C ATOM 673 CD1 ILE A 94 16.888 41.166 25.773 1.00 22.10 C ATOM 0 H ILE A 94 14.794 42.432 23.383 1.00 14.21 H new ATOM 0 HA ILE A 94 14.519 39.719 23.144 1.00 16.26 H new ATOM 0 HB ILE A 94 14.337 41.208 25.535 1.00 16.98 H new ATOM 0 HG12 ILE A 94 16.057 39.305 25.969 1.00 19.11 H new ATOM 0 HG13 ILE A 94 16.374 39.660 24.484 1.00 19.11 H new ATOM 0 HG21 ILE A 94 13.842 39.139 26.573 1.00 19.75 H new ATOM 0 HG22 ILE A 94 12.731 39.475 25.495 1.00 19.75 H new ATOM 0 HG23 ILE A 94 13.871 38.428 25.158 1.00 19.75 H new ATOM 0 HD11 ILE A 94 17.798 40.852 25.892 1.00 22.10 H new ATOM 0 HD12 ILE A 94 16.874 41.872 25.108 1.00 22.10 H new ATOM 0 HD13 ILE A 94 16.553 41.510 26.616 1.00 22.10 H new ATOM 674 N LEU A 95 12.034 39.959 22.761 1.00 15.49 N ATOM 675 CA LEU A 95 10.620 40.153 22.504 1.00 15.80 C ATOM 676 C LEU A 95 9.799 39.055 23.159 1.00 18.36 C ATOM 677 O LEU A 95 10.312 37.971 23.440 1.00 22.11 O ATOM 678 CB LEU A 95 10.353 40.173 20.989 1.00 13.97 C ATOM 679 CG LEU A 95 11.006 41.312 20.188 1.00 11.99 C ATOM 680 CD1 LEU A 95 12.336 40.841 19.644 1.00 13.71 C ATOM 681 CD2 LEU A 95 10.088 41.784 19.070 1.00 12.41 C ATOM 0 H LEU A 95 12.343 39.205 22.485 1.00 15.49 H new ATOM 0 HA LEU A 95 10.356 41.005 22.884 1.00 15.80 H new ATOM 0 HB2 LEU A 95 10.655 39.329 20.617 1.00 13.97 H new ATOM 0 HB3 LEU A 95 9.394 40.217 20.851 1.00 13.97 H new ATOM 0 HG LEU A 95 11.158 42.070 20.774 1.00 11.99 H new ATOM 0 HD11 LEU A 95 12.751 41.557 19.138 1.00 13.71 H new ATOM 0 HD12 LEU A 95 12.915 40.588 20.380 1.00 13.71 H new ATOM 0 HD13 LEU A 95 12.196 40.076 19.065 1.00 13.71 H new ATOM 0 HD21 LEU A 95 10.518 42.501 18.579 1.00 12.41 H new ATOM 0 HD22 LEU A 95 9.904 41.045 18.469 1.00 12.41 H new ATOM 0 HD23 LEU A 95 9.256 42.107 19.449 1.00 12.41 H new ATOM 682 N LYS A 96 8.533 39.371 23.418 1.00 18.94 N ATOM 683 CA LYS A 96 7.560 38.462 24.019 1.00 22.30 C ATOM 684 C LYS A 96 6.179 38.990 23.639 1.00 23.27 C ATOM 685 O LYS A 96 5.916 40.190 23.738 1.00 23.61 O ATOM 686 CB LYS A 96 7.704 38.424 25.543 1.00 25.80 C ATOM 687 CG LYS A 96 7.004 37.235 26.201 1.00 29.48 C ATOM 688 CD LYS A 96 7.824 36.656 27.354 1.00 34.59 C ATOM 689 CE LYS A 96 7.756 35.125 27.365 1.00 39.69 C ATOM 690 NZ LYS A 96 7.388 34.557 28.700 1.00 41.63 N ATOM 0 H LYS A 96 8.206 40.147 23.243 1.00 18.94 H new ATOM 0 HA LYS A 96 7.699 37.557 23.698 1.00 22.30 H new ATOM 0 HB2 LYS A 96 8.647 38.399 25.770 1.00 25.80 H new ATOM 0 HB3 LYS A 96 7.345 39.245 25.914 1.00 25.80 H new ATOM 0 HG2 LYS A 96 6.135 37.514 26.531 1.00 29.48 H new ATOM 0 HG3 LYS A 96 6.848 36.545 25.538 1.00 29.48 H new ATOM 0 HD2 LYS A 96 8.748 36.941 27.273 1.00 34.59 H new ATOM 0 HD3 LYS A 96 7.493 37.003 28.197 1.00 34.59 H new ATOM 0 HE2 LYS A 96 7.107 34.832 26.706 1.00 39.69 H new ATOM 0 HE3 LYS A 96 8.616 34.768 27.095 1.00 39.69 H new ATOM 0 HZ1 LYS A 96 7.236 33.684 28.620 1.00 41.63 H new ATOM 0 HZ2 LYS A 96 8.055 34.690 29.274 1.00 41.63 H new ATOM 0 HZ3 LYS A 96 6.654 34.959 29.002 1.00 41.63 H new ATOM 691 N GLU A 97 5.313 38.097 23.173 1.00 26.68 N ATOM 692 CA GLU A 97 3.969 38.470 22.760 1.00 30.99 C ATOM 693 C GLU A 97 4.020 39.607 21.758 1.00 30.41 C ATOM 694 O GLU A 97 3.272 40.576 21.868 1.00 29.46 O ATOM 695 CB GLU A 97 3.117 38.896 23.962 1.00 37.95 C ATOM 696 CG GLU A 97 3.188 37.952 25.169 1.00 50.63 C ATOM 697 CD GLU A 97 2.491 36.619 24.924 1.00 55.10 C ATOM 698 OE1 GLU A 97 1.645 36.544 23.998 1.00 58.69 O ATOM 699 OE2 GLU A 97 2.793 35.649 25.659 1.00 59.25 O ATOM 0 H GLU A 97 5.489 37.260 23.088 1.00 26.68 H new ATOM 0 HA GLU A 97 3.563 37.691 22.349 1.00 30.99 H new ATOM 0 HB2 GLU A 97 3.397 39.781 24.243 1.00 37.95 H new ATOM 0 HB3 GLU A 97 2.192 38.968 23.678 1.00 37.95 H new ATOM 0 HG2 GLU A 97 4.118 37.789 25.392 1.00 50.63 H new ATOM 0 HG3 GLU A 97 2.784 38.386 25.937 1.00 50.63 H new ATOM 700 N ASN A 98 4.926 39.493 20.796 1.00 30.48 N ATOM 701 CA ASN A 98 5.063 40.491 19.746 1.00 31.49 C ATOM 702 C ASN A 98 5.474 41.879 20.215 1.00 31.62 C ATOM 703 O ASN A 98 5.186 42.878 19.543 1.00 33.07 O ATOM 704 CB ASN A 98 3.748 40.585 18.981 1.00 34.70 C ATOM 705 CG ASN A 98 3.614 39.500 17.944 1.00 36.99 C ATOM 706 OD1 ASN A 98 3.433 39.775 16.757 1.00 37.12 O ATOM 707 ND2 ASN A 98 3.683 38.254 18.388 1.00 42.43 N ATOM 0 H ASN A 98 5.478 38.836 20.734 1.00 30.48 H new ATOM 0 HA ASN A 98 5.793 40.185 19.185 1.00 31.49 H new ATOM 0 HB2 ASN A 98 3.008 40.527 19.605 1.00 34.70 H new ATOM 0 HB3 ASN A 98 3.688 41.452 18.550 1.00 34.70 H new ATOM 0 HD21 ASN A 98 3.600 37.597 17.839 1.00 42.43 H new ATOM 0 HD22 ASN A 98 3.811 38.102 19.225 1.00 42.43 H new ATOM 708 N SER A 99 6.158 41.947 21.351 1.00 28.88 N ATOM 709 CA SER A 99 6.583 43.232 21.894 1.00 25.04 C ATOM 710 C SER A 99 8.021 43.225 22.366 1.00 21.25 C ATOM 711 O SER A 99 8.486 42.237 22.915 1.00 21.02 O ATOM 712 CB SER A 99 5.701 43.606 23.084 1.00 23.99 C ATOM 713 OG SER A 99 4.484 44.150 22.646 1.00 25.28 O ATOM 0 H SER A 99 6.386 41.264 21.822 1.00 28.88 H new ATOM 0 HA SER A 99 6.501 43.875 21.173 1.00 25.04 H new ATOM 0 HB2 SER A 99 5.533 42.820 23.628 1.00 23.99 H new ATOM 0 HB3 SER A 99 6.163 44.247 23.647 1.00 23.99 H new ATOM 0 HG SER A 99 4.010 44.349 23.311 1.00 25.28 H new ATOM 714 N VAL A 100 8.729 44.327 22.149 1.00 18.99 N ATOM 715 CA VAL A 100 10.091 44.421 22.642 1.00 20.69 C ATOM 716 C VAL A 100 9.926 44.638 24.153 1.00 20.64 C ATOM 717 O VAL A 100 9.240 45.556 24.578 1.00 19.09 O ATOM 718 CB VAL A 100 10.841 45.626 22.051 1.00 20.25 C ATOM 719 CG1 VAL A 100 12.137 45.831 22.818 1.00 20.58 C ATOM 720 CG2 VAL A 100 11.105 45.416 20.560 1.00 17.86 C ATOM 0 H VAL A 100 8.444 45.019 21.726 1.00 18.99 H new ATOM 0 HA VAL A 100 10.603 43.632 22.404 1.00 20.69 H new ATOM 0 HB VAL A 100 10.296 46.423 22.139 1.00 20.25 H new ATOM 0 HG11 VAL A 100 12.615 46.590 22.449 1.00 20.58 H new ATOM 0 HG12 VAL A 100 11.937 45.998 23.752 1.00 20.58 H new ATOM 0 HG13 VAL A 100 12.687 45.036 22.742 1.00 20.58 H new ATOM 0 HG21 VAL A 100 11.578 46.184 20.204 1.00 17.86 H new ATOM 0 HG22 VAL A 100 11.644 44.619 20.436 1.00 17.86 H new ATOM 0 HG23 VAL A 100 10.261 45.311 20.093 1.00 17.86 H new ATOM 721 N VAL A 101 10.531 43.781 24.964 1.00 20.44 N ATOM 722 CA VAL A 101 10.403 43.907 26.415 1.00 20.12 C ATOM 723 C VAL A 101 11.748 44.094 27.083 1.00 19.16 C ATOM 724 O VAL A 101 11.836 44.168 28.304 1.00 21.53 O ATOM 725 CB VAL A 101 9.719 42.663 27.050 1.00 17.30 C ATOM 726 CG1 VAL A 101 8.345 42.479 26.469 1.00 18.23 C ATOM 727 CG2 VAL A 101 10.579 41.415 26.851 1.00 18.19 C ATOM 0 H VAL A 101 11.018 43.123 24.700 1.00 20.44 H new ATOM 0 HA VAL A 101 9.851 44.691 26.562 1.00 20.12 H new ATOM 0 HB VAL A 101 9.628 42.806 28.005 1.00 17.30 H new ATOM 0 HG11 VAL A 101 7.925 41.702 26.870 1.00 18.23 H new ATOM 0 HG12 VAL A 101 7.808 43.266 26.652 1.00 18.23 H new ATOM 0 HG13 VAL A 101 8.414 42.350 25.510 1.00 18.23 H new ATOM 0 HG21 VAL A 101 10.138 40.650 27.253 1.00 18.19 H new ATOM 0 HG22 VAL A 101 10.703 41.255 25.902 1.00 18.19 H new ATOM 0 HG23 VAL A 101 11.443 41.547 27.272 1.00 18.19 H new ATOM 728 N GLY A 102 12.799 44.167 26.275 1.00 16.95 N ATOM 729 CA GLY A 102 14.128 44.349 26.820 1.00 15.62 C ATOM 730 C GLY A 102 15.142 44.553 25.720 1.00 14.58 C ATOM 731 O GLY A 102 14.890 44.226 24.555 1.00 13.27 O ATOM 0 H GLY A 102 12.761 44.114 25.417 1.00 16.95 H new ATOM 0 HA2 GLY A 102 14.135 45.114 27.416 1.00 15.62 H new ATOM 0 HA3 GLY A 102 14.373 43.574 27.350 1.00 15.62 H new ATOM 732 N GLU A 103 16.294 45.087 26.092 1.00 13.36 N ATOM 733 CA GLU A 103 17.345 45.347 25.132 1.00 13.44 C ATOM 734 C GLU A 103 18.685 45.368 25.837 1.00 13.92 C ATOM 735 O GLU A 103 18.778 45.843 26.962 1.00 15.42 O ATOM 736 CB GLU A 103 17.107 46.706 24.458 1.00 16.94 C ATOM 737 CG GLU A 103 18.399 47.438 24.056 1.00 25.94 C ATOM 738 CD GLU A 103 18.173 48.840 23.478 1.00 25.80 C ATOM 739 OE1 GLU A 103 17.453 48.971 22.466 1.00 28.00 O ATOM 740 OE2 GLU A 103 18.734 49.805 24.039 1.00 28.79 O ATOM 0 H GLU A 103 16.486 45.306 26.901 1.00 13.36 H new ATOM 0 HA GLU A 103 17.342 44.647 24.460 1.00 13.44 H new ATOM 0 HB2 GLU A 103 16.561 46.574 23.667 1.00 16.94 H new ATOM 0 HB3 GLU A 103 16.600 47.272 25.061 1.00 16.94 H new ATOM 0 HG2 GLU A 103 18.974 47.509 24.834 1.00 25.94 H new ATOM 0 HG3 GLU A 103 18.872 46.902 23.401 1.00 25.94 H new ATOM 741 N VAL A 104 19.718 44.839 25.189 1.00 12.88 N ATOM 742 CA VAL A 104 21.068 44.857 25.740 1.00 13.96 C ATOM 743 C VAL A 104 21.934 45.436 24.624 1.00 16.51 C ATOM 744 O VAL A 104 21.950 44.912 23.515 1.00 13.32 O ATOM 745 CB VAL A 104 21.596 43.434 26.126 1.00 15.60 C ATOM 746 CG1 VAL A 104 23.037 43.529 26.623 1.00 12.80 C ATOM 747 CG2 VAL A 104 20.700 42.808 27.212 1.00 15.98 C ATOM 0 H VAL A 104 19.656 44.460 24.419 1.00 12.88 H new ATOM 0 HA VAL A 104 21.088 45.373 26.561 1.00 13.96 H new ATOM 0 HB VAL A 104 21.571 42.867 25.339 1.00 15.60 H new ATOM 0 HG11 VAL A 104 23.357 42.644 26.860 1.00 12.80 H new ATOM 0 HG12 VAL A 104 23.597 43.898 25.923 1.00 12.80 H new ATOM 0 HG13 VAL A 104 23.073 44.105 27.403 1.00 12.80 H new ATOM 0 HG21 VAL A 104 21.037 41.928 27.442 1.00 15.98 H new ATOM 0 HG22 VAL A 104 20.705 43.372 28.001 1.00 15.98 H new ATOM 0 HG23 VAL A 104 19.793 42.729 26.877 1.00 15.98 H new ATOM 748 N THR A 105 22.630 46.532 24.915 1.00 17.25 N ATOM 749 CA THR A 105 23.468 47.201 23.925 1.00 20.86 C ATOM 750 C THR A 105 24.942 46.883 24.145 1.00 21.34 C ATOM 751 O THR A 105 25.478 47.079 25.244 1.00 21.48 O ATOM 752 CB THR A 105 23.282 48.749 23.970 1.00 20.44 C ATOM 753 OG1 THR A 105 21.951 49.092 23.569 1.00 30.33 O ATOM 754 CG2 THR A 105 24.229 49.416 23.028 1.00 24.02 C ATOM 0 H THR A 105 22.630 46.907 25.689 1.00 17.25 H new ATOM 0 HA THR A 105 23.189 46.869 23.057 1.00 20.86 H new ATOM 0 HB THR A 105 23.452 49.045 24.878 1.00 20.44 H new ATOM 0 HG1 THR A 105 21.856 49.926 23.597 1.00 30.33 H new ATOM 0 HG21 THR A 105 24.102 50.377 23.067 1.00 24.02 H new ATOM 0 HG22 THR A 105 25.141 49.201 23.279 1.00 24.02 H new ATOM 0 HG23 THR A 105 24.061 49.104 22.125 1.00 24.02 H new ATOM 755 N GLY A 106 25.589 46.402 23.084 1.00 18.58 N ATOM 756 CA GLY A 106 26.994 46.060 23.159 1.00 18.07 C ATOM 757 C GLY A 106 27.171 44.600 23.511 1.00 19.21 C ATOM 758 O GLY A 106 26.200 43.891 23.804 1.00 18.50 O ATOM 0 H GLY A 106 25.227 46.269 22.315 1.00 18.58 H new ATOM 0 HA2 GLY A 106 27.423 46.247 22.309 1.00 18.07 H new ATOM 0 HA3 GLY A 106 27.431 46.613 23.825 1.00 18.07 H new ATOM 759 N ALA A 107 28.419 44.156 23.485 1.00 17.38 N ATOM 760 CA ALA A 107 28.736 42.784 23.790 1.00 18.75 C ATOM 761 C ALA A 107 28.740 42.575 25.307 1.00 20.76 C ATOM 762 O ALA A 107 29.785 42.341 25.896 1.00 22.27 O ATOM 763 CB ALA A 107 30.093 42.450 23.201 1.00 20.94 C ATOM 0 H ALA A 107 29.100 44.644 23.290 1.00 17.38 H new ATOM 0 HA ALA A 107 28.067 42.196 23.405 1.00 18.75 H new ATOM 0 HB1 ALA A 107 30.315 41.527 23.402 1.00 20.94 H new ATOM 0 HB2 ALA A 107 30.068 42.574 22.239 1.00 20.94 H new ATOM 0 HB3 ALA A 107 30.765 43.034 23.585 1.00 20.94 H new ATOM 764 N LYS A 108 27.571 42.658 25.936 1.00 20.36 N ATOM 765 CA LYS A 108 27.466 42.483 27.392 1.00 21.60 C ATOM 766 C LYS A 108 26.826 41.126 27.651 1.00 21.24 C ATOM 767 O LYS A 108 25.611 41.007 27.844 1.00 20.89 O ATOM 768 CB LYS A 108 26.615 43.601 28.014 1.00 18.01 C ATOM 769 CG LYS A 108 27.357 44.927 28.190 1.00 23.85 C ATOM 770 CD LYS A 108 26.382 46.075 28.442 1.00 29.02 C ATOM 771 CE LYS A 108 26.918 47.425 27.962 1.00 30.84 C ATOM 772 NZ LYS A 108 28.209 47.829 28.602 1.00 36.23 N ATOM 0 H LYS A 108 26.823 42.815 25.542 1.00 20.36 H new ATOM 0 HA LYS A 108 28.346 42.527 27.797 1.00 21.60 H new ATOM 0 HB2 LYS A 108 25.836 43.749 27.456 1.00 18.01 H new ATOM 0 HB3 LYS A 108 26.292 43.305 28.879 1.00 18.01 H new ATOM 0 HG2 LYS A 108 27.978 44.857 28.932 1.00 23.85 H new ATOM 0 HG3 LYS A 108 27.883 45.114 27.397 1.00 23.85 H new ATOM 0 HD2 LYS A 108 25.544 45.886 27.992 1.00 29.02 H new ATOM 0 HD3 LYS A 108 26.189 46.127 29.391 1.00 29.02 H new ATOM 0 HE2 LYS A 108 27.041 47.390 27.000 1.00 30.84 H new ATOM 0 HE3 LYS A 108 26.252 48.108 28.138 1.00 30.84 H new ATOM 0 HZ1 LYS A 108 28.465 48.619 28.281 1.00 36.23 H new ATOM 0 HZ2 LYS A 108 28.098 47.889 29.483 1.00 36.23 H new ATOM 0 HZ3 LYS A 108 28.833 47.220 28.423 1.00 36.23 H new ATOM 773 N TYR A 109 27.665 40.100 27.621 1.00 21.54 N ATOM 774 CA TYR A 109 27.212 38.734 27.809 1.00 23.51 C ATOM 775 C TYR A 109 26.393 38.481 29.078 1.00 20.86 C ATOM 776 O TYR A 109 25.337 37.842 29.032 1.00 21.94 O ATOM 777 CB TYR A 109 28.418 37.793 27.767 1.00 24.66 C ATOM 778 CG TYR A 109 28.013 36.349 27.712 1.00 30.26 C ATOM 779 CD1 TYR A 109 27.734 35.636 28.883 1.00 30.87 C ATOM 780 CD2 TYR A 109 27.855 35.702 26.493 1.00 29.65 C ATOM 781 CE1 TYR A 109 27.303 34.321 28.835 1.00 30.74 C ATOM 782 CE2 TYR A 109 27.425 34.391 26.435 1.00 29.20 C ATOM 783 CZ TYR A 109 27.149 33.711 27.601 1.00 30.52 C ATOM 784 OH TYR A 109 26.693 32.427 27.528 1.00 32.23 O ATOM 0 H TYR A 109 28.512 40.177 27.491 1.00 21.54 H new ATOM 0 HA TYR A 109 26.598 38.559 27.079 1.00 23.51 H new ATOM 0 HB2 TYR A 109 28.963 38.004 26.993 1.00 24.66 H new ATOM 0 HB3 TYR A 109 28.969 37.942 28.551 1.00 24.66 H new ATOM 0 HD1 TYR A 109 27.840 36.052 29.708 1.00 30.87 H new ATOM 0 HD2 TYR A 109 28.042 36.158 25.704 1.00 29.65 H new ATOM 0 HE1 TYR A 109 27.120 33.855 29.619 1.00 30.74 H new ATOM 0 HE2 TYR A 109 27.322 33.969 25.613 1.00 29.20 H new ATOM 0 HH TYR A 109 26.184 32.273 28.178 1.00 32.23 H new ATOM 785 N ASP A 110 26.876 38.984 30.208 1.00 20.38 N ATOM 786 CA ASP A 110 26.193 38.773 31.477 1.00 17.96 C ATOM 787 C ASP A 110 24.831 39.415 31.504 1.00 17.12 C ATOM 788 O ASP A 110 23.860 38.810 31.957 1.00 15.31 O ATOM 789 CB ASP A 110 27.038 39.318 32.622 1.00 20.01 C ATOM 790 CG ASP A 110 28.217 38.450 32.912 1.00 23.30 C ATOM 791 OD1 ASP A 110 28.347 37.414 32.245 1.00 28.18 O ATOM 792 OD2 ASP A 110 29.018 38.787 33.797 1.00 29.57 O ATOM 0 H ASP A 110 27.597 39.450 30.261 1.00 20.38 H new ATOM 0 HA ASP A 110 26.070 37.817 31.582 1.00 17.96 H new ATOM 0 HB2 ASP A 110 27.343 40.212 32.401 1.00 20.01 H new ATOM 0 HB3 ASP A 110 26.490 39.394 33.419 1.00 20.01 H new ATOM 793 N LYS A 111 24.760 40.650 31.018 1.00 17.27 N ATOM 794 CA LYS A 111 23.501 41.372 30.976 1.00 17.03 C ATOM 795 C LYS A 111 22.570 40.672 30.019 1.00 15.34 C ATOM 796 O LYS A 111 21.368 40.701 30.227 1.00 16.89 O ATOM 797 CB LYS A 111 23.715 42.815 30.517 1.00 16.54 C ATOM 798 CG LYS A 111 24.551 43.627 31.489 1.00 21.94 C ATOM 799 CD LYS A 111 23.884 43.676 32.864 1.00 29.44 C ATOM 800 CE LYS A 111 24.525 44.727 33.777 1.00 34.60 C ATOM 801 NZ LYS A 111 24.442 44.348 35.231 1.00 42.63 N ATOM 0 H LYS A 111 25.433 41.086 30.708 1.00 17.27 H new ATOM 0 HA LYS A 111 23.118 41.390 31.867 1.00 17.03 H new ATOM 0 HB2 LYS A 111 24.148 42.812 29.649 1.00 16.54 H new ATOM 0 HB3 LYS A 111 22.853 43.244 30.402 1.00 16.54 H new ATOM 0 HG2 LYS A 111 25.435 43.236 31.567 1.00 21.94 H new ATOM 0 HG3 LYS A 111 24.668 44.528 31.149 1.00 21.94 H new ATOM 0 HD2 LYS A 111 22.940 43.874 32.758 1.00 29.44 H new ATOM 0 HD3 LYS A 111 23.946 42.804 33.284 1.00 29.44 H new ATOM 0 HE2 LYS A 111 25.455 44.844 33.528 1.00 34.60 H new ATOM 0 HE3 LYS A 111 24.085 45.581 33.642 1.00 34.60 H new ATOM 0 HZ1 LYS A 111 24.824 44.982 35.725 1.00 42.63 H new ATOM 0 HZ2 LYS A 111 23.588 44.262 35.467 1.00 42.63 H new ATOM 0 HZ3 LYS A 111 24.865 43.576 35.361 1.00 42.63 H new ATOM 802 N LEU A 112 23.118 40.052 28.968 1.00 16.53 N ATOM 803 CA LEU A 112 22.289 39.327 27.989 1.00 17.13 C ATOM 804 C LEU A 112 21.641 38.110 28.647 1.00 17.19 C ATOM 805 O LEU A 112 20.452 37.863 28.472 1.00 19.96 O ATOM 806 CB LEU A 112 23.121 38.889 26.762 1.00 17.03 C ATOM 807 CG LEU A 112 22.394 38.028 25.700 1.00 18.40 C ATOM 808 CD1 LEU A 112 21.271 38.826 25.043 1.00 17.43 C ATOM 809 CD2 LEU A 112 23.371 37.538 24.654 1.00 16.53 C ATOM 0 H LEU A 112 23.962 40.038 28.802 1.00 16.53 H new ATOM 0 HA LEU A 112 21.595 39.930 27.680 1.00 17.13 H new ATOM 0 HB2 LEU A 112 23.459 39.686 26.325 1.00 17.03 H new ATOM 0 HB3 LEU A 112 23.891 38.391 27.080 1.00 17.03 H new ATOM 0 HG LEU A 112 22.007 37.258 26.145 1.00 18.40 H new ATOM 0 HD11 LEU A 112 20.826 38.274 24.381 1.00 17.43 H new ATOM 0 HD12 LEU A 112 20.631 39.100 25.718 1.00 17.43 H new ATOM 0 HD13 LEU A 112 21.642 39.612 24.611 1.00 17.43 H new ATOM 0 HD21 LEU A 112 22.900 37.001 23.997 1.00 16.53 H new ATOM 0 HD22 LEU A 112 23.783 38.298 24.214 1.00 16.53 H new ATOM 0 HD23 LEU A 112 24.057 37.000 25.079 1.00 16.53 H new ATOM 810 N LEU A 113 22.421 37.363 29.419 1.00 20.79 N ATOM 811 CA LEU A 113 21.898 36.194 30.129 1.00 23.80 C ATOM 812 C LEU A 113 20.751 36.574 31.067 1.00 23.23 C ATOM 813 O LEU A 113 19.716 35.907 31.086 1.00 25.12 O ATOM 814 CB LEU A 113 22.998 35.526 30.950 1.00 26.34 C ATOM 815 CG LEU A 113 24.179 34.834 30.262 1.00 33.20 C ATOM 816 CD1 LEU A 113 24.063 33.330 30.468 1.00 38.05 C ATOM 817 CD2 LEU A 113 24.210 35.171 28.785 1.00 37.66 C ATOM 0 H LEU A 113 23.258 37.514 29.547 1.00 20.79 H new ATOM 0 HA LEU A 113 21.567 35.579 29.456 1.00 23.80 H new ATOM 0 HB2 LEU A 113 23.367 36.204 31.537 1.00 26.34 H new ATOM 0 HB3 LEU A 113 22.570 34.864 31.515 1.00 26.34 H new ATOM 0 HG LEU A 113 25.009 35.149 30.654 1.00 33.20 H new ATOM 0 HD11 LEU A 113 24.808 32.885 30.035 1.00 38.05 H new ATOM 0 HD12 LEU A 113 24.076 33.131 31.417 1.00 38.05 H new ATOM 0 HD13 LEU A 113 23.230 33.014 30.084 1.00 38.05 H new ATOM 0 HD21 LEU A 113 24.963 34.725 28.367 1.00 37.66 H new ATOM 0 HD22 LEU A 113 23.386 34.874 28.368 1.00 37.66 H new ATOM 0 HD23 LEU A 113 24.301 36.130 28.674 1.00 37.66 H new ATOM 818 N GLU A 114 20.925 37.647 31.833 1.00 21.89 N ATOM 819 CA GLU A 114 19.893 38.085 32.768 1.00 23.17 C ATOM 820 C GLU A 114 18.619 38.481 32.041 1.00 26.69 C ATOM 821 O GLU A 114 17.501 38.246 32.542 1.00 25.79 O ATOM 822 CB GLU A 114 20.352 39.303 33.577 1.00 25.54 C ATOM 823 CG GLU A 114 21.508 39.083 34.539 1.00 28.76 C ATOM 824 CD GLU A 114 22.077 40.402 35.043 1.00 29.22 C ATOM 825 OE1 GLU A 114 21.352 41.421 34.999 1.00 31.69 O ATOM 826 OE2 GLU A 114 23.245 40.427 35.477 1.00 31.47 O ATOM 0 H GLU A 114 21.633 38.135 31.827 1.00 21.89 H new ATOM 0 HA GLU A 114 19.726 37.333 33.357 1.00 23.17 H new ATOM 0 HB2 GLU A 114 20.604 40.003 32.955 1.00 25.54 H new ATOM 0 HB3 GLU A 114 19.594 39.634 34.084 1.00 25.54 H new ATOM 0 HG2 GLU A 114 21.206 38.551 35.292 1.00 28.76 H new ATOM 0 HG3 GLU A 114 22.207 38.577 34.096 1.00 28.76 H new ATOM 827 N ALA A 115 18.784 39.104 30.870 1.00 25.70 N ATOM 828 CA ALA A 115 17.637 39.567 30.089 1.00 23.14 C ATOM 829 C ALA A 115 16.830 38.381 29.581 1.00 21.78 C ATOM 830 O ALA A 115 15.605 38.450 29.493 1.00 23.35 O ATOM 831 CB ALA A 115 18.108 40.443 28.921 1.00 19.38 C ATOM 0 H ALA A 115 19.549 39.267 30.513 1.00 25.70 H new ATOM 0 HA ALA A 115 17.065 40.102 30.661 1.00 23.14 H new ATOM 0 HB1 ALA A 115 17.339 40.744 28.411 1.00 19.38 H new ATOM 0 HB2 ALA A 115 18.587 41.212 29.266 1.00 19.38 H new ATOM 0 HB3 ALA A 115 18.695 39.928 28.346 1.00 19.38 H new ATOM 832 N ILE A 116 17.526 37.295 29.263 1.00 21.91 N ATOM 833 CA ILE A 116 16.881 36.087 28.769 1.00 23.87 C ATOM 834 C ILE A 116 16.133 35.370 29.899 1.00 25.42 C ATOM 835 O ILE A 116 14.948 35.036 29.735 1.00 26.87 O ATOM 836 CB ILE A 116 17.916 35.137 28.125 1.00 24.56 C ATOM 837 CG1 ILE A 116 18.380 35.728 26.789 1.00 23.23 C ATOM 838 CG2 ILE A 116 17.305 33.750 27.902 1.00 26.42 C ATOM 839 CD1 ILE A 116 19.601 35.050 26.188 1.00 24.16 C ATOM 0 H ILE A 116 18.382 37.239 29.327 1.00 21.91 H new ATOM 0 HA ILE A 116 16.238 36.347 28.091 1.00 23.87 H new ATOM 0 HB ILE A 116 18.676 35.043 28.721 1.00 24.56 H new ATOM 0 HG12 ILE A 116 17.649 35.674 26.154 1.00 23.23 H new ATOM 0 HG13 ILE A 116 18.577 36.669 26.916 1.00 23.23 H new ATOM 0 HG21 ILE A 116 17.966 33.166 27.498 1.00 26.42 H new ATOM 0 HG22 ILE A 116 17.024 33.379 28.753 1.00 26.42 H new ATOM 0 HG23 ILE A 116 16.538 33.825 27.314 1.00 26.42 H new ATOM 0 HD11 ILE A 116 19.830 35.480 25.349 1.00 24.16 H new ATOM 0 HD12 ILE A 116 20.348 35.124 26.803 1.00 24.16 H new ATOM 0 HD13 ILE A 116 19.406 34.113 26.028 1.00 24.16 H new ATOM 840 N GLN A 117 16.811 35.140 31.031 1.00 28.19 N ATOM 841 CA GLN A 117 16.190 34.485 32.195 1.00 29.14 C ATOM 842 C GLN A 117 14.900 35.201 32.562 1.00 29.36 C ATOM 843 O GLN A 117 13.876 34.568 32.807 1.00 29.04 O ATOM 844 CB GLN A 117 17.121 34.516 33.403 1.00 31.76 C ATOM 845 CG GLN A 117 18.496 33.939 33.146 1.00 38.57 C ATOM 846 CD GLN A 117 18.485 32.430 33.065 1.00 44.31 C ATOM 847 OE1 GLN A 117 17.427 31.818 32.899 1.00 48.62 O ATOM 848 NE2 GLN A 117 19.663 31.815 33.183 1.00 45.17 N ATOM 0 H GLN A 117 17.635 35.356 31.146 1.00 28.19 H new ATOM 0 HA GLN A 117 16.009 33.563 31.955 1.00 29.14 H new ATOM 0 HB2 GLN A 117 17.218 35.434 33.700 1.00 31.76 H new ATOM 0 HB3 GLN A 117 16.707 34.025 34.130 1.00 31.76 H new ATOM 0 HG2 GLN A 117 18.846 34.302 32.317 1.00 38.57 H new ATOM 0 HG3 GLN A 117 19.098 34.217 33.854 1.00 38.57 H new ATOM 0 HE21 GLN A 117 20.379 32.277 33.298 1.00 45.17 H new ATOM 0 HE22 GLN A 117 19.706 30.957 33.144 1.00 45.17 H new ATOM 849 N ALA A 118 14.964 36.531 32.599 1.00 28.91 N ATOM 850 CA ALA A 118 13.814 37.371 32.919 1.00 28.96 C ATOM 851 C ALA A 118 12.640 37.146 31.978 1.00 30.84 C ATOM 852 O ALA A 118 11.487 37.069 32.415 1.00 31.45 O ATOM 853 CB ALA A 118 14.222 38.852 32.884 1.00 28.45 C ATOM 0 H ALA A 118 15.683 36.974 32.437 1.00 28.91 H new ATOM 0 HA ALA A 118 13.522 37.122 33.810 1.00 28.96 H new ATOM 0 HB1 ALA A 118 13.454 39.405 33.097 1.00 28.45 H new ATOM 0 HB2 ALA A 118 14.924 39.010 33.534 1.00 28.45 H new ATOM 0 HB3 ALA A 118 14.546 39.078 31.998 1.00 28.45 H new ATOM 854 N ALA A 119 12.923 37.058 30.679 1.00 30.76 N ATOM 855 CA ALA A 119 11.869 36.862 29.693 1.00 30.11 C ATOM 856 C ALA A 119 11.199 35.498 29.865 1.00 33.18 C ATOM 857 O ALA A 119 9.994 35.354 29.665 1.00 32.58 O ATOM 858 CB ALA A 119 12.438 36.995 28.297 1.00 27.55 C ATOM 0 H ALA A 119 13.717 37.109 30.352 1.00 30.76 H new ATOM 0 HA ALA A 119 11.194 37.545 29.829 1.00 30.11 H new ATOM 0 HB1 ALA A 119 11.732 36.863 27.645 1.00 27.55 H new ATOM 0 HB2 ALA A 119 12.819 37.880 28.186 1.00 27.55 H new ATOM 0 HB3 ALA A 119 13.129 36.327 28.164 1.00 27.55 H new ATOM 859 N ARG A 120 11.979 34.500 30.249 1.00 35.97 N ATOM 860 CA ARG A 120 11.434 33.156 30.440 1.00 41.30 C ATOM 861 C ARG A 120 10.454 33.080 31.620 1.00 44.39 C ATOM 862 O ARG A 120 9.254 32.865 31.436 1.00 45.09 O ATOM 863 CB ARG A 120 12.571 32.164 30.651 1.00 40.20 C ATOM 864 CG ARG A 120 13.514 32.088 29.484 1.00 40.25 C ATOM 865 CD ARG A 120 14.771 31.342 29.835 1.00 43.30 C ATOM 866 NE ARG A 120 14.612 29.909 29.617 1.00 50.84 N ATOM 867 CZ ARG A 120 15.245 28.964 30.308 1.00 53.00 C ATOM 868 NH1 ARG A 120 16.092 29.281 31.278 1.00 53.61 N ATOM 869 NH2 ARG A 120 15.033 27.690 30.023 1.00 56.11 N ATOM 0 H ARG A 120 12.822 34.574 30.405 1.00 35.97 H new ATOM 0 HA ARG A 120 10.937 32.931 29.638 1.00 41.30 H new ATOM 0 HB2 ARG A 120 13.068 32.415 31.445 1.00 40.20 H new ATOM 0 HB3 ARG A 120 12.198 31.284 30.816 1.00 40.20 H new ATOM 0 HG2 ARG A 120 13.074 31.649 28.739 1.00 40.25 H new ATOM 0 HG3 ARG A 120 13.740 32.985 29.191 1.00 40.25 H new ATOM 0 HD2 ARG A 120 15.508 31.674 29.298 1.00 43.30 H new ATOM 0 HD3 ARG A 120 15.000 31.507 30.763 1.00 43.30 H new ATOM 0 HE ARG A 120 14.071 29.657 28.998 1.00 50.84 H new ATOM 0 HH11 ARG A 120 16.239 30.107 31.468 1.00 53.61 H new ATOM 0 HH12 ARG A 120 16.495 28.661 31.717 1.00 53.61 H new ATOM 0 HH21 ARG A 120 14.488 27.475 29.393 1.00 56.11 H new ATOM 0 HH22 ARG A 120 15.440 27.076 30.467 1.00 56.11 H new ATOM 870 N SER A 121 10.976 33.262 32.827 1.00 47.59 N ATOM 871 CA SER A 121 10.154 33.205 34.024 1.00 48.94 C ATOM 872 C SER A 121 9.477 34.542 34.292 1.00 50.93 C ATOM 873 O SER A 121 8.278 34.680 33.917 1.00 51.68 O ATOM 874 CB SER A 121 11.026 32.812 35.221 1.00 49.12 C ATOM 875 OG SER A 121 12.351 32.489 34.811 1.00 45.20 O ATOM 876 OXT SER A 121 10.163 35.428 34.864 1.00 54.44 O ATOM 0 H SER A 121 11.809 33.420 32.973 1.00 47.59 H new ATOM 0 HA SER A 121 9.460 32.541 33.890 1.00 48.94 H new ATOM 0 HB2 SER A 121 11.051 33.542 35.859 1.00 49.12 H new ATOM 0 HB3 SER A 121 10.631 32.052 35.676 1.00 49.12 H new ATOM 0 HG SER A 121 12.809 32.279 35.483 1.00 45.20 H new TER 877 SER A 121 ATOM 878 N MET B 10 41.122 74.669 -10.226 1.00 48.94 N ATOM 879 CA MET B 10 40.641 73.385 -9.627 1.00 47.34 C ATOM 880 C MET B 10 40.763 73.422 -8.100 1.00 46.04 C ATOM 881 O MET B 10 41.732 73.964 -7.560 1.00 44.01 O ATOM 882 CB MET B 10 41.438 72.212 -10.200 1.00 47.52 C ATOM 883 CG MET B 10 41.306 72.063 -11.707 1.00 47.91 C ATOM 884 SD MET B 10 42.440 70.824 -12.398 1.00 55.85 S ATOM 885 CE MET B 10 42.902 69.890 -10.909 1.00 52.62 C ATOM 0 HA MET B 10 39.705 73.268 -9.852 1.00 47.34 H new ATOM 0 HB2 MET B 10 42.375 72.327 -9.975 1.00 47.52 H new ATOM 0 HB3 MET B 10 41.143 71.392 -9.775 1.00 47.52 H new ATOM 0 HG2 MET B 10 40.393 71.816 -11.924 1.00 47.91 H new ATOM 0 HG3 MET B 10 41.476 72.920 -12.128 1.00 47.91 H new ATOM 0 HE1 MET B 10 43.443 69.126 -11.161 1.00 52.62 H new ATOM 0 HE2 MET B 10 43.409 70.462 -10.312 1.00 52.62 H new ATOM 0 HE3 MET B 10 42.100 69.583 -10.458 1.00 52.62 H new ATOM 886 N GLU B 11 39.775 72.843 -7.416 1.00 43.70 N ATOM 887 CA GLU B 11 39.735 72.834 -5.955 1.00 44.97 C ATOM 888 C GLU B 11 40.704 71.892 -5.233 1.00 43.94 C ATOM 889 O GLU B 11 41.059 70.830 -5.746 1.00 45.17 O ATOM 890 CB GLU B 11 38.309 72.541 -5.488 1.00 46.93 C ATOM 891 CG GLU B 11 37.650 73.709 -4.781 1.00 51.91 C ATOM 892 CD GLU B 11 36.163 73.519 -4.616 1.00 55.54 C ATOM 893 OE1 GLU B 11 35.499 73.124 -5.601 1.00 57.46 O ATOM 894 OE2 GLU B 11 35.661 73.765 -3.496 1.00 61.54 O ATOM 0 H GLU B 11 39.109 72.445 -7.787 1.00 43.70 H new ATOM 0 HA GLU B 11 40.038 73.722 -5.708 1.00 44.97 H new ATOM 0 HB2 GLU B 11 37.770 72.291 -6.255 1.00 46.93 H new ATOM 0 HB3 GLU B 11 38.323 71.777 -4.890 1.00 46.93 H new ATOM 0 HG2 GLU B 11 38.057 73.826 -3.908 1.00 51.91 H new ATOM 0 HG3 GLU B 11 37.816 74.522 -5.283 1.00 51.91 H new ATOM 895 N ALA B 12 41.113 72.289 -4.029 1.00 41.18 N ATOM 896 CA ALA B 12 42.030 71.498 -3.224 1.00 37.63 C ATOM 897 C ALA B 12 41.276 70.456 -2.398 1.00 36.89 C ATOM 898 O ALA B 12 40.255 70.758 -1.764 1.00 37.14 O ATOM 899 CB ALA B 12 42.831 72.406 -2.309 1.00 37.95 C ATOM 0 H ALA B 12 40.865 73.025 -3.659 1.00 41.18 H new ATOM 0 HA ALA B 12 42.634 71.031 -3.822 1.00 37.63 H new ATOM 0 HB1 ALA B 12 43.440 71.872 -1.775 1.00 37.95 H new ATOM 0 HB2 ALA B 12 43.338 73.038 -2.843 1.00 37.95 H new ATOM 0 HB3 ALA B 12 42.227 72.889 -1.723 1.00 37.95 H new ATOM 900 N ILE B 13 41.795 69.230 -2.411 1.00 32.94 N ATOM 901 CA ILE B 13 41.183 68.125 -1.677 1.00 32.26 C ATOM 902 C ILE B 13 41.780 67.979 -0.270 1.00 29.21 C ATOM 903 O ILE B 13 41.110 67.507 0.650 1.00 29.45 O ATOM 904 CB ILE B 13 41.327 66.776 -2.481 1.00 31.51 C ATOM 905 CG1 ILE B 13 40.389 65.707 -1.905 1.00 33.45 C ATOM 906 CG2 ILE B 13 42.764 66.295 -2.463 1.00 29.45 C ATOM 907 CD1 ILE B 13 40.340 64.438 -2.740 1.00 32.81 C ATOM 0 H ILE B 13 42.507 69.016 -2.843 1.00 32.94 H new ATOM 0 HA ILE B 13 40.240 68.329 -1.576 1.00 32.26 H new ATOM 0 HB ILE B 13 41.075 66.939 -3.403 1.00 31.51 H new ATOM 0 HG12 ILE B 13 40.676 65.484 -1.006 1.00 33.45 H new ATOM 0 HG13 ILE B 13 39.494 66.075 -1.834 1.00 33.45 H new ATOM 0 HG21 ILE B 13 42.834 65.466 -2.961 1.00 29.45 H new ATOM 0 HG22 ILE B 13 43.335 66.965 -2.870 1.00 29.45 H new ATOM 0 HG23 ILE B 13 43.044 66.146 -1.546 1.00 29.45 H new ATOM 0 HD11 ILE B 13 39.734 63.803 -2.328 1.00 32.81 H new ATOM 0 HD12 ILE B 13 40.027 64.650 -3.633 1.00 32.81 H new ATOM 0 HD13 ILE B 13 41.228 64.050 -2.792 1.00 32.81 H new ATOM 908 N VAL B 14 43.029 68.403 -0.101 1.00 26.30 N ATOM 909 CA VAL B 14 43.682 68.309 1.196 1.00 23.32 C ATOM 910 C VAL B 14 43.043 69.237 2.224 1.00 20.12 C ATOM 911 O VAL B 14 42.303 70.155 1.882 1.00 21.25 O ATOM 912 CB VAL B 14 45.196 68.638 1.117 1.00 24.52 C ATOM 913 CG1 VAL B 14 45.956 67.460 0.486 1.00 22.44 C ATOM 914 CG2 VAL B 14 45.412 69.946 0.346 1.00 20.74 C ATOM 0 H VAL B 14 43.513 68.747 -0.723 1.00 26.30 H new ATOM 0 HA VAL B 14 43.569 67.387 1.475 1.00 23.32 H new ATOM 0 HB VAL B 14 45.549 68.768 2.011 1.00 24.52 H new ATOM 0 HG11 VAL B 14 46.901 67.672 0.440 1.00 22.44 H new ATOM 0 HG12 VAL B 14 45.830 66.666 1.028 1.00 22.44 H new ATOM 0 HG13 VAL B 14 45.617 67.298 -0.408 1.00 22.44 H new ATOM 0 HG21 VAL B 14 46.361 70.143 0.302 1.00 20.74 H new ATOM 0 HG22 VAL B 14 45.059 69.854 -0.553 1.00 20.74 H new ATOM 0 HG23 VAL B 14 44.953 70.669 0.801 1.00 20.74 H new ATOM 915 N GLY B 15 43.341 68.968 3.490 1.00 17.86 N ATOM 916 CA GLY B 15 42.809 69.762 4.583 1.00 17.68 C ATOM 917 C GLY B 15 41.448 69.327 5.096 1.00 18.07 C ATOM 918 O GLY B 15 40.906 69.936 6.026 1.00 18.72 O ATOM 0 H GLY B 15 43.854 68.323 3.736 1.00 17.86 H new ATOM 0 HA2 GLY B 15 43.440 69.736 5.320 1.00 17.68 H new ATOM 0 HA3 GLY B 15 42.749 70.686 4.293 1.00 17.68 H new ATOM 919 N LYS B 16 40.889 68.272 4.508 1.00 16.22 N ATOM 920 CA LYS B 16 39.576 67.793 4.927 1.00 16.46 C ATOM 921 C LYS B 16 39.475 66.308 4.622 1.00 15.27 C ATOM 922 O LYS B 16 40.373 65.757 3.997 1.00 15.02 O ATOM 923 CB LYS B 16 38.474 68.558 4.189 1.00 19.73 C ATOM 924 CG LYS B 16 38.253 68.096 2.773 1.00 23.10 C ATOM 925 CD LYS B 16 38.491 69.203 1.765 1.00 26.09 C ATOM 926 CE LYS B 16 38.266 68.690 0.363 1.00 23.67 C ATOM 927 NZ LYS B 16 37.092 67.764 0.345 1.00 25.63 N ATOM 0 H LYS B 16 41.250 67.823 3.870 1.00 16.22 H new ATOM 0 HA LYS B 16 39.464 67.940 5.879 1.00 16.46 H new ATOM 0 HB2 LYS B 16 37.644 68.468 4.682 1.00 19.73 H new ATOM 0 HB3 LYS B 16 38.698 69.502 4.181 1.00 19.73 H new ATOM 0 HG2 LYS B 16 38.846 67.353 2.581 1.00 23.10 H new ATOM 0 HG3 LYS B 16 37.346 67.766 2.680 1.00 23.10 H new ATOM 0 HD2 LYS B 16 37.894 69.946 1.944 1.00 26.09 H new ATOM 0 HD3 LYS B 16 39.397 69.539 1.852 1.00 26.09 H new ATOM 0 HE2 LYS B 16 38.112 69.433 -0.241 1.00 23.67 H new ATOM 0 HE3 LYS B 16 39.058 68.228 0.048 1.00 23.67 H new ATOM 0 HZ1 LYS B 16 36.636 67.878 -0.411 1.00 25.63 H new ATOM 0 HZ2 LYS B 16 37.377 66.922 0.395 1.00 25.63 H new ATOM 0 HZ3 LYS B 16 36.564 67.940 1.039 1.00 25.63 H new ATOM 928 N VAL B 17 38.395 65.670 5.071 1.00 14.03 N ATOM 929 CA VAL B 17 38.189 64.233 4.825 1.00 13.52 C ATOM 930 C VAL B 17 37.186 64.122 3.684 1.00 12.19 C ATOM 931 O VAL B 17 36.131 64.739 3.721 1.00 15.01 O ATOM 932 CB VAL B 17 37.648 63.476 6.104 1.00 14.16 C ATOM 933 CG1 VAL B 17 37.445 61.991 5.794 1.00 14.01 C ATOM 934 CG2 VAL B 17 38.647 63.606 7.274 1.00 14.28 C ATOM 0 H VAL B 17 37.767 66.047 5.521 1.00 14.03 H new ATOM 0 HA VAL B 17 39.036 63.815 4.602 1.00 13.52 H new ATOM 0 HB VAL B 17 36.802 63.879 6.354 1.00 14.16 H new ATOM 0 HG11 VAL B 17 37.113 61.538 6.585 1.00 14.01 H new ATOM 0 HG12 VAL B 17 36.802 61.895 5.074 1.00 14.01 H new ATOM 0 HG13 VAL B 17 38.290 61.598 5.527 1.00 14.01 H new ATOM 0 HG21 VAL B 17 38.301 63.137 8.049 1.00 14.28 H new ATOM 0 HG22 VAL B 17 39.499 63.220 7.017 1.00 14.28 H new ATOM 0 HG23 VAL B 17 38.770 64.543 7.492 1.00 14.28 H new ATOM 935 N THR B 18 37.524 63.360 2.653 1.00 9.66 N ATOM 936 CA THR B 18 36.636 63.204 1.517 1.00 10.18 C ATOM 937 C THR B 18 36.064 61.778 1.480 1.00 10.54 C ATOM 938 O THR B 18 36.797 60.795 1.543 1.00 10.14 O ATOM 939 CB THR B 18 37.398 63.508 0.184 1.00 10.27 C ATOM 940 OG1 THR B 18 37.874 64.862 0.211 1.00 11.94 O ATOM 941 CG2 THR B 18 36.478 63.312 -1.045 1.00 10.23 C ATOM 0 H THR B 18 38.264 62.925 2.594 1.00 9.66 H new ATOM 0 HA THR B 18 35.904 63.834 1.610 1.00 10.18 H new ATOM 0 HB THR B 18 38.142 62.890 0.108 1.00 10.27 H new ATOM 0 HG1 THR B 18 38.695 64.867 0.387 1.00 11.94 H new ATOM 0 HG21 THR B 18 36.974 63.507 -1.855 1.00 10.23 H new ATOM 0 HG22 THR B 18 36.164 62.395 -1.071 1.00 10.23 H new ATOM 0 HG23 THR B 18 35.718 63.912 -0.980 1.00 10.23 H new ATOM 942 N GLU B 19 34.748 61.665 1.401 1.00 11.28 N ATOM 943 CA GLU B 19 34.140 60.348 1.314 1.00 10.88 C ATOM 944 C GLU B 19 34.237 59.847 -0.132 1.00 11.81 C ATOM 945 O GLU B 19 34.057 60.605 -1.086 1.00 9.38 O ATOM 946 CB GLU B 19 32.677 60.390 1.745 1.00 14.18 C ATOM 947 CG GLU B 19 32.033 59.017 1.683 1.00 16.54 C ATOM 948 CD GLU B 19 30.786 58.875 2.534 1.00 23.44 C ATOM 949 OE1 GLU B 19 30.201 59.899 2.953 1.00 24.54 O ATOM 950 OE2 GLU B 19 30.387 57.718 2.776 1.00 24.56 O ATOM 0 H GLU B 19 34.197 62.325 1.396 1.00 11.28 H new ATOM 0 HA GLU B 19 34.613 59.746 1.910 1.00 10.88 H new ATOM 0 HB2 GLU B 19 32.616 60.736 2.649 1.00 14.18 H new ATOM 0 HB3 GLU B 19 32.189 61.003 1.173 1.00 14.18 H new ATOM 0 HG2 GLU B 19 31.807 58.818 0.761 1.00 16.54 H new ATOM 0 HG3 GLU B 19 32.682 58.354 1.965 1.00 16.54 H new ATOM 951 N VAL B 20 34.553 58.567 -0.290 1.00 12.82 N ATOM 952 CA VAL B 20 34.643 57.971 -1.619 1.00 11.68 C ATOM 953 C VAL B 20 33.763 56.719 -1.632 1.00 10.23 C ATOM 954 O VAL B 20 33.179 56.343 -0.614 1.00 10.67 O ATOM 955 CB VAL B 20 36.106 57.591 -1.993 1.00 11.61 C ATOM 956 CG1 VAL B 20 36.945 58.844 -2.153 1.00 10.74 C ATOM 957 CG2 VAL B 20 36.716 56.656 -0.919 1.00 11.45 C ATOM 0 H VAL B 20 34.719 58.026 0.358 1.00 12.82 H new ATOM 0 HA VAL B 20 34.343 58.619 -2.275 1.00 11.68 H new ATOM 0 HB VAL B 20 36.098 57.115 -2.838 1.00 11.61 H new ATOM 0 HG11 VAL B 20 37.854 58.598 -2.386 1.00 10.74 H new ATOM 0 HG12 VAL B 20 36.570 59.397 -2.856 1.00 10.74 H new ATOM 0 HG13 VAL B 20 36.948 59.340 -1.319 1.00 10.74 H new ATOM 0 HG21 VAL B 20 37.626 56.429 -1.166 1.00 11.45 H new ATOM 0 HG22 VAL B 20 36.718 57.107 -0.060 1.00 11.45 H new ATOM 0 HG23 VAL B 20 36.187 55.846 -0.857 1.00 11.45 H new ATOM 958 N ASN B 21 33.647 56.099 -2.800 1.00 12.18 N ATOM 959 CA ASN B 21 32.857 54.881 -2.961 1.00 9.11 C ATOM 960 C ASN B 21 33.640 54.003 -3.924 1.00 12.53 C ATOM 961 O ASN B 21 34.778 54.340 -4.277 1.00 12.57 O ATOM 962 CB ASN B 21 31.448 55.164 -3.500 1.00 8.18 C ATOM 963 CG ASN B 21 31.446 55.999 -4.775 1.00 12.21 C ATOM 964 OD1 ASN B 21 32.218 55.763 -5.704 1.00 10.97 O ATOM 965 ND2 ASN B 21 30.564 56.980 -4.820 1.00 13.29 N ATOM 0 H ASN B 21 34.024 56.372 -3.523 1.00 12.18 H new ATOM 0 HA ASN B 21 32.722 54.449 -2.103 1.00 9.11 H new ATOM 0 HB2 ASN B 21 30.999 54.321 -3.672 1.00 8.18 H new ATOM 0 HB3 ASN B 21 30.934 55.625 -2.818 1.00 8.18 H new ATOM 0 HD21 ASN B 21 30.514 57.482 -5.517 1.00 13.29 H new ATOM 0 HD22 ASN B 21 30.039 57.117 -4.153 1.00 13.29 H new ATOM 966 N LYS B 22 33.038 52.903 -4.366 1.00 13.45 N ATOM 967 CA LYS B 22 33.733 51.967 -5.250 1.00 15.83 C ATOM 968 C LYS B 22 34.207 52.560 -6.564 1.00 14.07 C ATOM 969 O LYS B 22 35.158 52.056 -7.149 1.00 14.39 O ATOM 970 CB LYS B 22 32.858 50.746 -5.536 1.00 18.43 C ATOM 971 CG LYS B 22 31.647 51.035 -6.380 1.00 23.87 C ATOM 972 CD LYS B 22 31.070 49.745 -6.984 1.00 31.68 C ATOM 973 CE LYS B 22 29.532 49.759 -7.031 1.00 34.52 C ATOM 974 NZ LYS B 22 28.940 51.114 -7.307 1.00 37.07 N ATOM 0 H LYS B 22 32.232 52.679 -4.168 1.00 13.45 H new ATOM 0 HA LYS B 22 34.532 51.715 -4.762 1.00 15.83 H new ATOM 0 HB2 LYS B 22 33.396 50.073 -5.981 1.00 18.43 H new ATOM 0 HB3 LYS B 22 32.568 50.365 -4.693 1.00 18.43 H new ATOM 0 HG2 LYS B 22 30.971 51.473 -5.840 1.00 23.87 H new ATOM 0 HG3 LYS B 22 31.885 51.650 -7.091 1.00 23.87 H new ATOM 0 HD2 LYS B 22 31.418 49.627 -7.882 1.00 31.68 H new ATOM 0 HD3 LYS B 22 31.369 48.984 -6.462 1.00 31.68 H new ATOM 0 HE2 LYS B 22 29.233 49.140 -7.716 1.00 34.52 H new ATOM 0 HE3 LYS B 22 29.189 49.433 -6.184 1.00 34.52 H new ATOM 0 HZ1 LYS B 22 28.147 51.017 -7.699 1.00 37.07 H new ATOM 0 HZ2 LYS B 22 28.840 51.556 -6.541 1.00 37.07 H new ATOM 0 HZ3 LYS B 22 29.483 51.571 -7.844 1.00 37.07 H new ATOM 975 N ASP B 23 33.557 53.626 -7.022 1.00 12.50 N ATOM 976 CA ASP B 23 33.939 54.263 -8.288 1.00 15.12 C ATOM 977 C ASP B 23 34.830 55.496 -8.204 1.00 15.23 C ATOM 978 O ASP B 23 35.458 55.870 -9.206 1.00 15.59 O ATOM 979 CB ASP B 23 32.699 54.637 -9.093 1.00 15.38 C ATOM 980 CG ASP B 23 31.873 53.424 -9.483 1.00 19.93 C ATOM 981 OD1 ASP B 23 32.452 52.436 -9.991 1.00 21.66 O ATOM 982 OD2 ASP B 23 30.648 53.461 -9.276 1.00 21.39 O ATOM 0 H ASP B 23 32.894 53.998 -6.620 1.00 12.50 H new ATOM 0 HA ASP B 23 34.477 53.580 -8.717 1.00 15.12 H new ATOM 0 HB2 ASP B 23 32.150 55.245 -8.573 1.00 15.38 H new ATOM 0 HB3 ASP B 23 32.968 55.113 -9.894 1.00 15.38 H new ATOM 983 N THR B 24 34.898 56.128 -7.033 1.00 12.11 N ATOM 984 CA THR B 24 35.705 57.336 -6.905 1.00 10.91 C ATOM 985 C THR B 24 37.054 57.169 -6.202 1.00 13.36 C ATOM 986 O THR B 24 37.931 58.031 -6.285 1.00 11.79 O ATOM 987 CB THR B 24 34.879 58.446 -6.212 1.00 10.36 C ATOM 988 OG1 THR B 24 34.351 57.960 -4.978 1.00 8.14 O ATOM 989 CG2 THR B 24 33.709 58.841 -7.091 1.00 6.88 C ATOM 0 H THR B 24 34.493 55.879 -6.316 1.00 12.11 H new ATOM 0 HA THR B 24 35.933 57.581 -7.815 1.00 10.91 H new ATOM 0 HB THR B 24 35.460 59.207 -6.056 1.00 10.36 H new ATOM 0 HG1 THR B 24 33.735 58.468 -4.717 1.00 8.14 H new ATOM 0 HG21 THR B 24 33.195 59.537 -6.652 1.00 6.88 H new ATOM 0 HG22 THR B 24 34.040 59.171 -7.941 1.00 6.88 H new ATOM 0 HG23 THR B 24 33.143 58.068 -7.243 1.00 6.88 H new ATOM 990 N PHE B 25 37.241 56.046 -5.529 1.00 11.83 N ATOM 991 CA PHE B 25 38.482 55.825 -4.825 1.00 9.00 C ATOM 992 C PHE B 25 39.784 55.772 -5.655 1.00 7.89 C ATOM 993 O PHE B 25 40.674 56.594 -5.483 1.00 8.00 O ATOM 994 CB PHE B 25 38.351 54.545 -3.976 1.00 9.02 C ATOM 995 CG PHE B 25 39.620 54.161 -3.249 1.00 8.50 C ATOM 996 CD1 PHE B 25 40.078 54.914 -2.162 1.00 10.67 C ATOM 997 CD2 PHE B 25 40.368 53.055 -3.665 1.00 11.73 C ATOM 998 CE1 PHE B 25 41.257 54.577 -1.505 1.00 13.83 C ATOM 999 CE2 PHE B 25 41.563 52.706 -3.005 1.00 11.27 C ATOM 1000 CZ PHE B 25 42.003 53.473 -1.924 1.00 13.75 C ATOM 0 H PHE B 25 36.667 55.408 -5.469 1.00 11.83 H new ATOM 0 HA PHE B 25 38.597 56.627 -4.291 1.00 9.00 H new ATOM 0 HB2 PHE B 25 37.641 54.669 -3.326 1.00 9.02 H new ATOM 0 HB3 PHE B 25 38.084 53.811 -4.552 1.00 9.02 H new ATOM 0 HD1 PHE B 25 39.587 55.650 -1.875 1.00 10.67 H new ATOM 0 HD2 PHE B 25 40.074 52.545 -4.385 1.00 11.73 H new ATOM 0 HE1 PHE B 25 41.549 55.088 -0.785 1.00 13.83 H new ATOM 0 HE2 PHE B 25 42.056 51.970 -3.287 1.00 11.27 H new ATOM 0 HZ PHE B 25 42.791 53.249 -1.484 1.00 13.75 H new ATOM 1001 N TRP B 26 39.918 54.793 -6.540 1.00 9.89 N ATOM 1002 CA TRP B 26 41.159 54.657 -7.296 1.00 9.06 C ATOM 1003 C TRP B 26 41.586 55.880 -8.103 1.00 8.91 C ATOM 1004 O TRP B 26 42.775 56.154 -8.204 1.00 10.29 O ATOM 1005 CB TRP B 26 41.100 53.401 -8.182 1.00 9.32 C ATOM 1006 CG TRP B 26 41.221 52.141 -7.365 1.00 8.16 C ATOM 1007 CD1 TRP B 26 40.248 51.213 -7.136 1.00 12.58 C ATOM 1008 CD2 TRP B 26 42.361 51.720 -6.613 1.00 10.62 C ATOM 1009 NE1 TRP B 26 40.710 50.234 -6.284 1.00 12.35 N ATOM 1010 CE2 TRP B 26 42.006 50.523 -5.948 1.00 11.59 C ATOM 1011 CE3 TRP B 26 43.654 52.239 -6.433 1.00 11.49 C ATOM 1012 CZ2 TRP B 26 42.893 49.839 -5.118 1.00 12.20 C ATOM 1013 CZ3 TRP B 26 44.542 51.549 -5.601 1.00 11.77 C ATOM 1014 CH2 TRP B 26 44.153 50.368 -4.959 1.00 12.95 C ATOM 0 H TRP B 26 39.315 54.206 -6.717 1.00 9.89 H new ATOM 0 HA TRP B 26 41.855 54.568 -6.626 1.00 9.06 H new ATOM 0 HB2 TRP B 26 40.264 53.390 -8.674 1.00 9.32 H new ATOM 0 HB3 TRP B 26 41.814 53.433 -8.838 1.00 9.32 H new ATOM 0 HD1 TRP B 26 39.394 51.238 -7.503 1.00 12.58 H new ATOM 0 HE1 TRP B 26 40.260 49.555 -6.009 1.00 12.35 H new ATOM 0 HE3 TRP B 26 43.914 53.024 -6.858 1.00 11.49 H new ATOM 0 HZ2 TRP B 26 42.642 49.054 -4.687 1.00 12.20 H new ATOM 0 HZ3 TRP B 26 45.402 51.879 -5.473 1.00 11.77 H new ATOM 0 HH2 TRP B 26 44.762 49.929 -4.410 1.00 12.95 H new ATOM 1015 N PRO B 27 40.632 56.595 -8.737 1.00 10.32 N ATOM 1016 CA PRO B 27 41.019 57.787 -9.505 1.00 10.73 C ATOM 1017 C PRO B 27 41.658 58.828 -8.580 1.00 8.55 C ATOM 1018 O PRO B 27 42.610 59.488 -8.953 1.00 11.50 O ATOM 1019 CB PRO B 27 39.699 58.276 -10.101 1.00 10.39 C ATOM 1020 CG PRO B 27 38.834 57.084 -10.123 1.00 14.21 C ATOM 1021 CD PRO B 27 39.192 56.322 -8.873 1.00 10.38 C ATOM 0 HA PRO B 27 41.681 57.611 -10.192 1.00 10.73 H new ATOM 0 HB2 PRO B 27 39.310 58.984 -9.563 1.00 10.39 H new ATOM 0 HB3 PRO B 27 39.827 58.635 -10.993 1.00 10.39 H new ATOM 0 HG2 PRO B 27 37.896 57.330 -10.128 1.00 14.21 H new ATOM 0 HG3 PRO B 27 38.991 56.550 -10.917 1.00 14.21 H new ATOM 0 HD2 PRO B 27 38.691 56.634 -8.103 1.00 10.38 H new ATOM 0 HD3 PRO B 27 39.011 55.373 -8.964 1.00 10.38 H new ATOM 1022 N ILE B 28 41.146 58.956 -7.367 1.00 10.47 N ATOM 1023 CA ILE B 28 41.718 59.919 -6.433 1.00 12.83 C ATOM 1024 C ILE B 28 43.118 59.434 -6.066 1.00 14.45 C ATOM 1025 O ILE B 28 44.055 60.236 -5.991 1.00 12.65 O ATOM 1026 CB ILE B 28 40.841 60.090 -5.156 1.00 12.50 C ATOM 1027 CG1 ILE B 28 39.613 60.958 -5.494 1.00 13.42 C ATOM 1028 CG2 ILE B 28 41.675 60.726 -4.026 1.00 13.29 C ATOM 1029 CD1 ILE B 28 38.469 60.938 -4.470 1.00 17.11 C ATOM 0 H ILE B 28 40.479 58.505 -7.065 1.00 10.47 H new ATOM 0 HA ILE B 28 41.756 60.792 -6.855 1.00 12.83 H new ATOM 0 HB ILE B 28 40.534 59.222 -4.850 1.00 12.50 H new ATOM 0 HG12 ILE B 28 39.908 61.875 -5.604 1.00 13.42 H new ATOM 0 HG13 ILE B 28 39.261 60.669 -6.350 1.00 13.42 H new ATOM 0 HG21 ILE B 28 41.123 60.829 -3.235 1.00 13.29 H new ATOM 0 HG22 ILE B 28 42.431 60.154 -3.820 1.00 13.29 H new ATOM 0 HG23 ILE B 28 41.997 61.596 -4.311 1.00 13.29 H new ATOM 0 HD11 ILE B 28 37.750 61.513 -4.776 1.00 17.11 H new ATOM 0 HD12 ILE B 28 38.138 60.032 -4.372 1.00 17.11 H new ATOM 0 HD13 ILE B 28 38.795 61.257 -3.614 1.00 17.11 H new ATOM 1030 N VAL B 29 43.254 58.120 -5.860 1.00 11.97 N ATOM 1031 CA VAL B 29 44.535 57.527 -5.511 1.00 15.76 C ATOM 1032 C VAL B 29 45.533 57.768 -6.656 1.00 18.80 C ATOM 1033 O VAL B 29 46.684 58.175 -6.428 1.00 20.55 O ATOM 1034 CB VAL B 29 44.372 55.997 -5.220 1.00 14.37 C ATOM 1035 CG1 VAL B 29 45.748 55.308 -5.140 1.00 11.99 C ATOM 1036 CG2 VAL B 29 43.597 55.807 -3.910 1.00 12.61 C ATOM 0 H VAL B 29 42.607 57.556 -5.920 1.00 11.97 H new ATOM 0 HA VAL B 29 44.875 57.944 -4.704 1.00 15.76 H new ATOM 0 HB VAL B 29 43.876 55.588 -5.946 1.00 14.37 H new ATOM 0 HG11 VAL B 29 45.627 54.363 -4.959 1.00 11.99 H new ATOM 0 HG12 VAL B 29 46.215 55.418 -5.983 1.00 11.99 H new ATOM 0 HG13 VAL B 29 46.270 55.709 -4.427 1.00 11.99 H new ATOM 0 HG21 VAL B 29 43.495 54.860 -3.728 1.00 12.61 H new ATOM 0 HG22 VAL B 29 44.084 56.225 -3.182 1.00 12.61 H new ATOM 0 HG23 VAL B 29 42.721 56.216 -3.990 1.00 12.61 H new ATOM 1037 N LYS B 30 45.087 57.545 -7.887 1.00 18.22 N ATOM 1038 CA LYS B 30 45.957 57.742 -9.032 1.00 21.65 C ATOM 1039 C LYS B 30 46.346 59.199 -9.269 1.00 22.99 C ATOM 1040 O LYS B 30 47.362 59.469 -9.901 1.00 25.57 O ATOM 1041 CB LYS B 30 45.307 57.170 -10.287 1.00 25.51 C ATOM 1042 CG LYS B 30 45.496 55.668 -10.429 1.00 30.22 C ATOM 1043 CD LYS B 30 44.405 55.057 -11.290 1.00 35.99 C ATOM 1044 CE LYS B 30 44.342 53.554 -11.089 1.00 40.09 C ATOM 1045 NZ LYS B 30 45.187 52.822 -12.073 1.00 43.18 N ATOM 0 H LYS B 30 44.291 57.282 -8.077 1.00 18.22 H new ATOM 0 HA LYS B 30 46.779 57.269 -8.830 1.00 21.65 H new ATOM 0 HB2 LYS B 30 44.358 57.371 -10.273 1.00 25.51 H new ATOM 0 HB3 LYS B 30 45.679 57.612 -11.067 1.00 25.51 H new ATOM 0 HG2 LYS B 30 46.363 55.484 -10.823 1.00 30.22 H new ATOM 0 HG3 LYS B 30 45.489 55.254 -9.552 1.00 30.22 H new ATOM 0 HD2 LYS B 30 43.549 55.454 -11.066 1.00 35.99 H new ATOM 0 HD3 LYS B 30 44.574 55.256 -12.224 1.00 35.99 H new ATOM 0 HE2 LYS B 30 44.633 53.337 -10.190 1.00 40.09 H new ATOM 0 HE3 LYS B 30 43.422 53.256 -11.169 1.00 40.09 H new ATOM 0 HZ1 LYS B 30 45.125 51.947 -11.925 1.00 43.18 H new ATOM 0 HZ2 LYS B 30 44.907 53.003 -12.898 1.00 43.18 H new ATOM 0 HZ3 LYS B 30 46.035 53.078 -11.985 1.00 43.18 H new ATOM 1046 N ALA B 31 45.558 60.140 -8.762 1.00 21.44 N ATOM 1047 CA ALA B 31 45.869 61.554 -8.952 1.00 21.45 C ATOM 1048 C ALA B 31 46.634 62.152 -7.773 1.00 23.19 C ATOM 1049 O ALA B 31 46.915 63.353 -7.761 1.00 21.85 O ATOM 1050 CB ALA B 31 44.586 62.341 -9.164 1.00 18.71 C ATOM 0 H ALA B 31 44.844 59.984 -8.308 1.00 21.44 H new ATOM 0 HA ALA B 31 46.439 61.615 -9.734 1.00 21.45 H new ATOM 0 HB1 ALA B 31 44.799 63.279 -9.290 1.00 18.71 H new ATOM 0 HB2 ALA B 31 44.127 62.006 -9.950 1.00 18.71 H new ATOM 0 HB3 ALA B 31 44.013 62.241 -8.388 1.00 18.71 H new ATOM 1051 N ALA B 32 46.986 61.325 -6.792 1.00 21.12 N ATOM 1052 CA ALA B 32 47.663 61.828 -5.591 1.00 20.65 C ATOM 1053 C ALA B 32 49.134 62.160 -5.748 1.00 20.20 C ATOM 1054 O ALA B 32 49.716 62.813 -4.887 1.00 17.71 O ATOM 1055 CB ALA B 32 47.485 60.829 -4.434 1.00 20.53 C ATOM 0 H ALA B 32 46.845 60.477 -6.798 1.00 21.12 H new ATOM 0 HA ALA B 32 47.231 62.676 -5.404 1.00 20.65 H new ATOM 0 HB1 ALA B 32 47.934 61.166 -3.643 1.00 20.53 H new ATOM 0 HB2 ALA B 32 46.540 60.717 -4.246 1.00 20.53 H new ATOM 0 HB3 ALA B 32 47.868 59.973 -4.683 1.00 20.53 H new ATOM 1056 N GLY B 33 49.737 61.713 -6.841 1.00 22.21 N ATOM 1057 CA GLY B 33 51.153 61.969 -7.022 1.00 23.77 C ATOM 1058 C GLY B 33 51.947 61.209 -5.972 1.00 25.32 C ATOM 1059 O GLY B 33 51.792 59.997 -5.822 1.00 24.98 O ATOM 0 H GLY B 33 49.356 61.272 -7.473 1.00 22.21 H new ATOM 0 HA2 GLY B 33 51.429 61.695 -7.911 1.00 23.77 H new ATOM 0 HA3 GLY B 33 51.331 62.920 -6.950 1.00 23.77 H new ATOM 1060 N ASP B 34 52.775 61.924 -5.220 1.00 26.32 N ATOM 1061 CA ASP B 34 53.605 61.296 -4.197 1.00 29.69 C ATOM 1062 C ASP B 34 53.097 61.498 -2.774 1.00 28.08 C ATOM 1063 O ASP B 34 53.814 61.210 -1.806 1.00 26.95 O ATOM 1064 CB ASP B 34 55.037 61.822 -4.298 1.00 37.46 C ATOM 1065 CG ASP B 34 55.112 63.334 -4.147 1.00 44.33 C ATOM 1066 OD1 ASP B 34 54.053 64.011 -4.200 1.00 47.51 O ATOM 1067 OD2 ASP B 34 56.240 63.846 -3.973 1.00 51.92 O ATOM 0 H ASP B 34 52.872 62.776 -5.286 1.00 26.32 H new ATOM 0 HA ASP B 34 53.569 60.343 -4.372 1.00 29.69 H new ATOM 0 HB2 ASP B 34 55.581 61.404 -3.613 1.00 37.46 H new ATOM 0 HB3 ASP B 34 55.413 61.566 -5.155 1.00 37.46 H new ATOM 1068 N LYS B 35 51.870 61.995 -2.643 1.00 22.59 N ATOM 1069 CA LYS B 35 51.293 62.197 -1.327 1.00 21.17 C ATOM 1070 C LYS B 35 50.657 60.903 -0.825 1.00 18.64 C ATOM 1071 O LYS B 35 49.972 60.201 -1.572 1.00 19.32 O ATOM 1072 CB LYS B 35 50.218 63.287 -1.363 1.00 21.11 C ATOM 1073 CG LYS B 35 50.726 64.663 -1.750 1.00 23.19 C ATOM 1074 CD LYS B 35 49.738 65.739 -1.370 1.00 21.42 C ATOM 1075 CE LYS B 35 48.561 65.792 -2.341 1.00 23.72 C ATOM 1076 NZ LYS B 35 48.991 65.934 -3.764 1.00 24.43 N ATOM 0 H LYS B 35 51.362 62.219 -3.300 1.00 22.59 H new ATOM 0 HA LYS B 35 52.008 62.470 -0.731 1.00 21.17 H new ATOM 0 HB2 LYS B 35 49.527 63.022 -1.990 1.00 21.11 H new ATOM 0 HB3 LYS B 35 49.802 63.343 -0.489 1.00 21.11 H new ATOM 0 HG2 LYS B 35 51.575 64.831 -1.312 1.00 23.19 H new ATOM 0 HG3 LYS B 35 50.889 64.693 -2.706 1.00 23.19 H new ATOM 0 HD2 LYS B 35 49.410 65.575 -0.472 1.00 21.42 H new ATOM 0 HD3 LYS B 35 50.186 66.599 -1.356 1.00 21.42 H new ATOM 0 HE2 LYS B 35 48.032 64.984 -2.246 1.00 23.72 H new ATOM 0 HE3 LYS B 35 47.986 66.537 -2.105 1.00 23.72 H new ATOM 0 HZ1 LYS B 35 48.313 66.246 -4.249 1.00 24.43 H new ATOM 0 HZ2 LYS B 35 49.676 66.500 -3.812 1.00 24.43 H new ATOM 0 HZ3 LYS B 35 49.240 65.140 -4.080 1.00 24.43 H new ATOM 1077 N PRO B 36 50.942 60.532 0.423 1.00 15.56 N ATOM 1078 CA PRO B 36 50.320 59.313 0.926 1.00 15.59 C ATOM 1079 C PRO B 36 48.818 59.573 0.978 1.00 16.72 C ATOM 1080 O PRO B 36 48.374 60.721 1.121 1.00 15.61 O ATOM 1081 CB PRO B 36 50.893 59.167 2.330 1.00 16.12 C ATOM 1082 CG PRO B 36 52.138 59.986 2.317 1.00 19.23 C ATOM 1083 CD PRO B 36 51.858 61.127 1.408 1.00 14.86 C ATOM 0 HA PRO B 36 50.479 58.518 0.393 1.00 15.59 H new ATOM 0 HB2 PRO B 36 50.269 59.486 3.000 1.00 16.12 H new ATOM 0 HB3 PRO B 36 51.084 58.239 2.538 1.00 16.12 H new ATOM 0 HG2 PRO B 36 52.360 60.297 3.209 1.00 19.23 H new ATOM 0 HG3 PRO B 36 52.894 59.466 2.001 1.00 19.23 H new ATOM 0 HD2 PRO B 36 51.450 61.871 1.878 1.00 14.86 H new ATOM 0 HD3 PRO B 36 52.667 61.464 0.992 1.00 14.86 H new ATOM 1084 N VAL B 37 48.042 58.501 0.871 1.00 15.98 N ATOM 1085 CA VAL B 37 46.590 58.574 0.924 1.00 12.93 C ATOM 1086 C VAL B 37 46.156 57.676 2.088 1.00 13.81 C ATOM 1087 O VAL B 37 46.565 56.517 2.167 1.00 15.90 O ATOM 1088 CB VAL B 37 45.961 58.063 -0.399 1.00 11.95 C ATOM 1089 CG1 VAL B 37 44.442 58.067 -0.295 1.00 12.86 C ATOM 1090 CG2 VAL B 37 46.400 58.944 -1.560 1.00 11.49 C ATOM 0 H VAL B 37 48.347 57.704 0.765 1.00 15.98 H new ATOM 0 HA VAL B 37 46.296 59.490 1.047 1.00 12.93 H new ATOM 0 HB VAL B 37 46.264 57.155 -0.557 1.00 11.95 H new ATOM 0 HG11 VAL B 37 44.060 57.746 -1.127 1.00 12.86 H new ATOM 0 HG12 VAL B 37 44.166 57.488 0.432 1.00 12.86 H new ATOM 0 HG13 VAL B 37 44.132 58.970 -0.124 1.00 12.86 H new ATOM 0 HG21 VAL B 37 46.003 58.618 -2.382 1.00 11.49 H new ATOM 0 HG22 VAL B 37 46.111 59.856 -1.401 1.00 11.49 H new ATOM 0 HG23 VAL B 37 47.367 58.920 -1.637 1.00 11.49 H new ATOM 1091 N VAL B 38 45.360 58.207 3.005 1.00 10.63 N ATOM 1092 CA VAL B 38 44.881 57.405 4.129 1.00 12.86 C ATOM 1093 C VAL B 38 43.402 57.117 3.912 1.00 13.46 C ATOM 1094 O VAL B 38 42.652 58.010 3.523 1.00 13.70 O ATOM 1095 CB VAL B 38 45.092 58.127 5.496 1.00 10.51 C ATOM 1096 CG1 VAL B 38 44.572 57.241 6.648 1.00 12.76 C ATOM 1097 CG2 VAL B 38 46.589 58.422 5.708 1.00 9.06 C ATOM 0 H VAL B 38 45.086 59.022 2.999 1.00 10.63 H new ATOM 0 HA VAL B 38 45.391 56.581 4.165 1.00 12.86 H new ATOM 0 HB VAL B 38 44.598 58.962 5.488 1.00 10.51 H new ATOM 0 HG11 VAL B 38 44.707 57.697 7.493 1.00 12.76 H new ATOM 0 HG12 VAL B 38 43.626 57.068 6.522 1.00 12.76 H new ATOM 0 HG13 VAL B 38 45.056 56.400 6.654 1.00 12.76 H new ATOM 0 HG21 VAL B 38 46.713 58.871 6.559 1.00 9.06 H new ATOM 0 HG22 VAL B 38 47.087 57.589 5.706 1.00 9.06 H new ATOM 0 HG23 VAL B 38 46.911 58.992 4.992 1.00 9.06 H new ATOM 1098 N LEU B 39 42.986 55.871 4.122 1.00 11.07 N ATOM 1099 CA LEU B 39 41.583 55.507 3.931 1.00 10.53 C ATOM 1100 C LEU B 39 40.969 54.946 5.206 1.00 13.76 C ATOM 1101 O LEU B 39 41.423 53.929 5.740 1.00 14.95 O ATOM 1102 CB LEU B 39 41.427 54.470 2.803 1.00 9.16 C ATOM 1103 CG LEU B 39 39.959 54.078 2.539 1.00 13.22 C ATOM 1104 CD1 LEU B 39 39.210 55.221 1.834 1.00 14.52 C ATOM 1105 CD2 LEU B 39 39.921 52.811 1.685 1.00 13.43 C ATOM 0 H LEU B 39 43.495 55.225 4.374 1.00 11.07 H new ATOM 0 HA LEU B 39 41.115 56.322 3.689 1.00 10.53 H new ATOM 0 HB2 LEU B 39 41.812 54.827 1.988 1.00 9.16 H new ATOM 0 HB3 LEU B 39 41.933 53.674 3.031 1.00 9.16 H new ATOM 0 HG LEU B 39 39.518 53.909 3.386 1.00 13.22 H new ATOM 0 HD11 LEU B 39 38.290 54.957 1.676 1.00 14.52 H new ATOM 0 HD12 LEU B 39 39.227 56.013 2.394 1.00 14.52 H new ATOM 0 HD13 LEU B 39 39.640 55.415 0.986 1.00 14.52 H new ATOM 0 HD21 LEU B 39 38.999 52.561 1.517 1.00 13.43 H new ATOM 0 HD22 LEU B 39 40.370 52.976 0.841 1.00 13.43 H new ATOM 0 HD23 LEU B 39 40.370 52.091 2.154 1.00 13.43 H new ATOM 1106 N ASP B 40 39.940 55.615 5.701 1.00 11.93 N ATOM 1107 CA ASP B 40 39.253 55.168 6.902 1.00 12.05 C ATOM 1108 C ASP B 40 38.084 54.288 6.442 1.00 10.46 C ATOM 1109 O ASP B 40 37.128 54.791 5.855 1.00 6.01 O ATOM 1110 CB ASP B 40 38.743 56.382 7.690 1.00 10.11 C ATOM 1111 CG ASP B 40 37.878 55.999 8.890 1.00 17.57 C ATOM 1112 OD1 ASP B 40 37.653 54.803 9.123 1.00 15.96 O ATOM 1113 OD2 ASP B 40 37.420 56.902 9.617 1.00 19.80 O ATOM 0 H ASP B 40 39.622 56.335 5.355 1.00 11.93 H new ATOM 0 HA ASP B 40 39.845 54.668 7.485 1.00 12.05 H new ATOM 0 HB2 ASP B 40 39.501 56.902 7.998 1.00 10.11 H new ATOM 0 HB3 ASP B 40 38.229 56.953 7.097 1.00 10.11 H new ATOM 1114 N MET B 41 38.174 52.979 6.705 1.00 9.78 N ATOM 1115 CA MET B 41 37.109 52.035 6.325 1.00 9.10 C ATOM 1116 C MET B 41 36.256 51.826 7.563 1.00 7.35 C ATOM 1117 O MET B 41 36.744 51.375 8.593 1.00 9.82 O ATOM 1118 CB MET B 41 37.708 50.707 5.850 1.00 7.12 C ATOM 1119 CG MET B 41 38.730 50.859 4.728 1.00 12.09 C ATOM 1120 SD MET B 41 39.597 49.324 4.219 1.00 16.21 S ATOM 1121 CE MET B 41 38.403 48.560 3.236 1.00 8.76 C ATOM 0 H MET B 41 38.844 52.615 7.103 1.00 9.78 H new ATOM 0 HA MET B 41 36.579 52.384 5.592 1.00 9.10 H new ATOM 0 HB2 MET B 41 38.130 50.265 6.603 1.00 7.12 H new ATOM 0 HB3 MET B 41 36.991 50.128 5.547 1.00 7.12 H new ATOM 0 HG2 MET B 41 38.280 51.228 3.952 1.00 12.09 H new ATOM 0 HG3 MET B 41 39.395 51.508 5.006 1.00 12.09 H new ATOM 0 HE1 MET B 41 38.750 47.719 2.900 1.00 8.76 H new ATOM 0 HE2 MET B 41 37.607 48.393 3.765 1.00 8.76 H new ATOM 0 HE3 MET B 41 38.179 49.138 2.490 1.00 8.76 H new ATOM 1122 N PHE B 42 34.983 52.173 7.462 1.00 7.78 N ATOM 1123 CA PHE B 42 34.044 52.079 8.578 1.00 9.00 C ATOM 1124 C PHE B 42 32.713 51.523 8.102 1.00 12.06 C ATOM 1125 O PHE B 42 32.547 51.220 6.921 1.00 11.73 O ATOM 1126 CB PHE B 42 33.792 53.485 9.151 1.00 11.82 C ATOM 1127 CG PHE B 42 33.088 54.432 8.192 1.00 10.56 C ATOM 1128 CD1 PHE B 42 33.811 55.151 7.234 1.00 12.02 C ATOM 1129 CD2 PHE B 42 31.702 54.585 8.233 1.00 11.84 C ATOM 1130 CE1 PHE B 42 33.162 56.012 6.317 1.00 6.77 C ATOM 1131 CE2 PHE B 42 31.045 55.436 7.329 1.00 14.42 C ATOM 1132 CZ PHE B 42 31.791 56.150 6.365 1.00 10.87 C ATOM 0 H PHE B 42 34.632 52.474 6.737 1.00 7.78 H new ATOM 0 HA PHE B 42 34.424 51.494 9.252 1.00 9.00 H new ATOM 0 HB2 PHE B 42 33.260 53.404 9.958 1.00 11.82 H new ATOM 0 HB3 PHE B 42 34.642 53.875 9.409 1.00 11.82 H new ATOM 0 HD1 PHE B 42 34.736 55.061 7.199 1.00 12.02 H new ATOM 0 HD2 PHE B 42 31.207 54.118 8.867 1.00 11.84 H new ATOM 0 HE1 PHE B 42 33.658 56.482 5.686 1.00 6.77 H new ATOM 0 HE2 PHE B 42 30.120 55.529 7.365 1.00 14.42 H new ATOM 0 HZ PHE B 42 31.358 56.712 5.764 1.00 10.87 H new ATOM 1133 N THR B 43 31.766 51.380 9.025 1.00 11.95 N ATOM 1134 CA THR B 43 30.411 50.960 8.653 1.00 12.37 C ATOM 1135 C THR B 43 29.491 51.794 9.518 1.00 12.29 C ATOM 1136 O THR B 43 29.951 52.513 10.415 1.00 11.97 O ATOM 1137 CB THR B 43 30.067 49.467 8.969 1.00 11.28 C ATOM 1138 OG1 THR B 43 29.918 49.299 10.380 1.00 14.33 O ATOM 1139 CG2 THR B 43 31.118 48.530 8.449 1.00 13.50 C ATOM 0 H THR B 43 31.882 51.519 9.866 1.00 11.95 H new ATOM 0 HA THR B 43 30.321 51.069 7.693 1.00 12.37 H new ATOM 0 HB THR B 43 29.235 49.250 8.521 1.00 11.28 H new ATOM 0 HG1 THR B 43 29.145 49.533 10.610 1.00 14.33 H new ATOM 0 HG21 THR B 43 30.872 47.616 8.663 1.00 13.50 H new ATOM 0 HG22 THR B 43 31.192 48.628 7.487 1.00 13.50 H new ATOM 0 HG23 THR B 43 31.971 48.739 8.861 1.00 13.50 H new ATOM 1140 N GLN B 44 28.197 51.700 9.245 1.00 10.88 N ATOM 1141 CA GLN B 44 27.197 52.391 10.038 1.00 13.67 C ATOM 1142 C GLN B 44 27.093 51.623 11.371 1.00 14.85 C ATOM 1143 O GLN B 44 27.501 50.458 11.458 1.00 14.48 O ATOM 1144 CB GLN B 44 25.847 52.350 9.311 1.00 16.00 C ATOM 1145 CG GLN B 44 25.850 53.045 7.955 1.00 20.68 C ATOM 1146 CD GLN B 44 26.187 54.520 8.078 1.00 22.93 C ATOM 1147 OE1 GLN B 44 25.686 55.198 8.972 1.00 28.03 O ATOM 1148 NE2 GLN B 44 27.035 55.026 7.183 1.00 22.45 N ATOM 0 H GLN B 44 27.876 51.235 8.597 1.00 10.88 H new ATOM 0 HA GLN B 44 27.437 53.320 10.183 1.00 13.67 H new ATOM 0 HB2 GLN B 44 25.584 51.424 9.189 1.00 16.00 H new ATOM 0 HB3 GLN B 44 25.174 52.764 9.874 1.00 16.00 H new ATOM 0 HG2 GLN B 44 26.494 52.614 7.372 1.00 20.68 H new ATOM 0 HG3 GLN B 44 24.979 52.946 7.539 1.00 20.68 H new ATOM 0 HE21 GLN B 44 27.366 54.521 6.571 1.00 22.45 H new ATOM 0 HE22 GLN B 44 27.251 55.858 7.218 1.00 22.45 H new ATOM 1149 N TRP B 45 26.569 52.274 12.405 1.00 16.13 N ATOM 1150 CA TRP B 45 26.374 51.632 13.714 1.00 16.63 C ATOM 1151 C TRP B 45 27.652 51.134 14.380 1.00 13.18 C ATOM 1152 O TRP B 45 27.595 50.261 15.223 1.00 13.73 O ATOM 1153 CB TRP B 45 25.404 50.441 13.572 1.00 18.17 C ATOM 1154 CG TRP B 45 24.296 50.632 12.551 1.00 22.58 C ATOM 1155 CD1 TRP B 45 24.009 49.835 11.463 1.00 24.15 C ATOM 1156 CD2 TRP B 45 23.320 51.677 12.541 1.00 24.71 C ATOM 1157 NE1 TRP B 45 22.911 50.327 10.780 1.00 21.98 N ATOM 1158 CE2 TRP B 45 22.469 51.452 11.421 1.00 24.66 C ATOM 1159 CE3 TRP B 45 23.082 52.783 13.371 1.00 22.07 C ATOM 1160 CZ2 TRP B 45 21.400 52.295 11.114 1.00 26.94 C ATOM 1161 CZ3 TRP B 45 22.018 53.620 13.067 1.00 28.84 C ATOM 1162 CH2 TRP B 45 21.187 53.371 11.945 1.00 29.76 C ATOM 0 H TRP B 45 26.316 53.095 12.374 1.00 16.13 H new ATOM 0 HA TRP B 45 26.015 52.328 14.287 1.00 16.63 H new ATOM 0 HB2 TRP B 45 25.915 49.653 13.331 1.00 18.17 H new ATOM 0 HB3 TRP B 45 25.001 50.265 14.437 1.00 18.17 H new ATOM 0 HD1 TRP B 45 24.486 49.074 11.222 1.00 24.15 H new ATOM 0 HE1 TRP B 45 22.565 49.983 10.072 1.00 21.98 H new ATOM 0 HE3 TRP B 45 23.625 52.951 14.107 1.00 22.07 H new ATOM 0 HZ2 TRP B 45 20.854 52.136 10.378 1.00 26.94 H new ATOM 0 HZ3 TRP B 45 21.847 54.357 13.608 1.00 28.84 H new ATOM 0 HH2 TRP B 45 20.481 53.949 11.766 1.00 29.76 H new ATOM 1163 N CYS B 46 28.797 51.696 14.016 1.00 11.70 N ATOM 1164 CA CYS B 46 30.069 51.256 14.560 1.00 13.64 C ATOM 1165 C CYS B 46 30.634 52.149 15.690 1.00 14.31 C ATOM 1166 O CYS B 46 31.056 53.290 15.470 1.00 12.58 O ATOM 1167 CB CYS B 46 31.063 51.124 13.398 1.00 13.18 C ATOM 1168 SG CYS B 46 32.792 50.807 13.832 1.00 15.89 S ATOM 0 H CYS B 46 28.857 52.340 13.449 1.00 11.70 H new ATOM 0 HA CYS B 46 29.922 50.400 14.992 1.00 13.64 H new ATOM 0 HB2 CYS B 46 30.760 50.405 12.821 1.00 13.18 H new ATOM 0 HB3 CYS B 46 31.028 51.941 12.876 1.00 13.18 H new ATOM 1169 N GLY B 47 30.652 51.587 16.898 1.00 15.59 N ATOM 1170 CA GLY B 47 31.127 52.294 18.072 1.00 15.17 C ATOM 1171 C GLY B 47 32.506 52.895 17.961 1.00 14.74 C ATOM 1172 O GLY B 47 32.643 54.111 18.057 1.00 17.19 O ATOM 0 H GLY B 47 30.388 50.784 17.054 1.00 15.59 H new ATOM 0 HA2 GLY B 47 30.499 53.004 18.278 1.00 15.17 H new ATOM 0 HA3 GLY B 47 31.119 51.681 18.824 1.00 15.17 H new ATOM 1173 N PRO B 48 33.553 52.080 17.763 1.00 15.97 N ATOM 1174 CA PRO B 48 34.922 52.603 17.647 1.00 17.42 C ATOM 1175 C PRO B 48 35.084 53.592 16.483 1.00 17.58 C ATOM 1176 O PRO B 48 35.880 54.533 16.568 1.00 16.80 O ATOM 1177 CB PRO B 48 35.777 51.349 17.454 1.00 16.78 C ATOM 1178 CG PRO B 48 34.922 50.208 17.932 1.00 19.78 C ATOM 1179 CD PRO B 48 33.512 50.615 17.622 1.00 15.71 C ATOM 0 HA PRO B 48 35.181 53.118 18.427 1.00 17.42 H new ATOM 0 HB2 PRO B 48 36.025 51.234 16.523 1.00 16.78 H new ATOM 0 HB3 PRO B 48 36.601 51.406 17.962 1.00 16.78 H new ATOM 0 HG2 PRO B 48 35.156 49.382 17.480 1.00 19.78 H new ATOM 0 HG3 PRO B 48 35.041 50.055 18.882 1.00 19.78 H new ATOM 0 HD2 PRO B 48 33.249 50.347 16.728 1.00 15.71 H new ATOM 0 HD3 PRO B 48 32.878 50.212 18.236 1.00 15.71 H new ATOM 1180 N CYS B 49 34.329 53.365 15.401 1.00 18.06 N ATOM 1181 CA CYS B 49 34.364 54.235 14.212 1.00 17.75 C ATOM 1182 C CYS B 49 33.916 55.648 14.598 1.00 17.32 C ATOM 1183 O CYS B 49 34.570 56.638 14.251 1.00 17.82 O ATOM 1184 CB CYS B 49 33.443 53.696 13.090 1.00 13.24 C ATOM 1185 SG CYS B 49 33.801 52.000 12.524 1.00 13.81 S ATOM 0 H CYS B 49 33.783 52.704 15.334 1.00 18.06 H new ATOM 0 HA CYS B 49 35.275 54.251 13.878 1.00 17.75 H new ATOM 0 HB2 CYS B 49 32.526 53.728 13.403 1.00 13.24 H new ATOM 0 HB3 CYS B 49 33.504 54.294 12.328 1.00 13.24 H new ATOM 1186 N LYS B 50 32.801 55.743 15.314 1.00 17.86 N ATOM 1187 CA LYS B 50 32.299 57.044 15.725 1.00 21.86 C ATOM 1188 C LYS B 50 33.272 57.740 16.669 1.00 21.85 C ATOM 1189 O LYS B 50 33.415 58.958 16.627 1.00 25.24 O ATOM 1190 CB LYS B 50 30.926 56.906 16.379 1.00 22.79 C ATOM 1191 CG LYS B 50 29.792 56.884 15.364 1.00 29.94 C ATOM 1192 CD LYS B 50 28.470 56.407 15.972 1.00 37.84 C ATOM 1193 CE LYS B 50 28.097 54.989 15.516 1.00 38.62 C ATOM 1194 NZ LYS B 50 27.627 54.135 16.670 1.00 41.21 N ATOM 0 H LYS B 50 32.326 55.073 15.569 1.00 17.86 H new ATOM 0 HA LYS B 50 32.211 57.593 14.930 1.00 21.86 H new ATOM 0 HB2 LYS B 50 30.902 56.090 16.903 1.00 22.79 H new ATOM 0 HB3 LYS B 50 30.790 57.643 16.995 1.00 22.79 H new ATOM 0 HG2 LYS B 50 29.673 57.774 14.997 1.00 29.94 H new ATOM 0 HG3 LYS B 50 30.034 56.303 14.626 1.00 29.94 H new ATOM 0 HD2 LYS B 50 28.536 56.427 16.940 1.00 37.84 H new ATOM 0 HD3 LYS B 50 27.762 57.021 15.723 1.00 37.84 H new ATOM 0 HE2 LYS B 50 27.399 55.038 14.844 1.00 38.62 H new ATOM 0 HE3 LYS B 50 28.865 54.571 15.096 1.00 38.62 H new ATOM 0 HZ1 LYS B 50 28.201 53.467 16.798 1.00 41.21 H new ATOM 0 HZ2 LYS B 50 27.580 54.631 17.407 1.00 41.21 H new ATOM 0 HZ3 LYS B 50 26.822 53.803 16.485 1.00 41.21 H new ATOM 1195 N ALA B 51 33.961 56.968 17.503 1.00 22.25 N ATOM 1196 CA ALA B 51 34.911 57.544 18.441 1.00 20.31 C ATOM 1197 C ALA B 51 36.082 58.148 17.702 1.00 20.43 C ATOM 1198 O ALA B 51 36.562 59.216 18.075 1.00 23.21 O ATOM 1199 CB ALA B 51 35.402 56.487 19.401 1.00 18.63 C ATOM 0 H ALA B 51 33.892 56.112 17.540 1.00 22.25 H new ATOM 0 HA ALA B 51 34.462 58.243 18.942 1.00 20.31 H new ATOM 0 HB1 ALA B 51 36.034 56.882 20.021 1.00 18.63 H new ATOM 0 HB2 ALA B 51 34.650 56.123 19.894 1.00 18.63 H new ATOM 0 HB3 ALA B 51 35.837 55.776 18.905 1.00 18.63 H new ATOM 1200 N MET B 52 36.536 57.461 16.653 1.00 18.20 N ATOM 1201 CA MET B 52 37.673 57.902 15.851 1.00 16.58 C ATOM 1202 C MET B 52 37.373 59.036 14.876 1.00 15.91 C ATOM 1203 O MET B 52 38.276 59.787 14.513 1.00 16.53 O ATOM 1204 CB MET B 52 38.233 56.735 15.033 1.00 16.01 C ATOM 1205 CG MET B 52 38.985 55.702 15.827 1.00 23.90 C ATOM 1206 SD MET B 52 40.506 56.384 16.514 1.00 30.33 S ATOM 1207 CE MET B 52 41.711 55.759 15.341 1.00 30.40 C ATOM 0 H MET B 52 36.189 56.721 16.387 1.00 18.20 H new ATOM 0 HA MET B 52 38.309 58.237 16.502 1.00 16.58 H new ATOM 0 HB2 MET B 52 37.499 56.298 14.574 1.00 16.01 H new ATOM 0 HB3 MET B 52 38.823 57.091 14.350 1.00 16.01 H new ATOM 0 HG2 MET B 52 38.423 55.371 16.545 1.00 23.90 H new ATOM 0 HG3 MET B 52 39.195 54.944 15.259 1.00 23.90 H new ATOM 0 HE1 MET B 52 42.527 55.523 15.810 1.00 30.40 H new ATOM 0 HE2 MET B 52 41.354 54.973 14.898 1.00 30.40 H new ATOM 0 HE3 MET B 52 41.904 56.442 14.680 1.00 30.40 H new ATOM 1208 N ALA B 53 36.119 59.155 14.449 1.00 14.24 N ATOM 1209 CA ALA B 53 35.749 60.158 13.448 1.00 16.39 C ATOM 1210 C ALA B 53 36.253 61.596 13.707 1.00 16.33 C ATOM 1211 O ALA B 53 36.894 62.193 12.838 1.00 14.34 O ATOM 1212 CB ALA B 53 34.240 60.139 13.226 1.00 12.59 C ATOM 0 H ALA B 53 35.467 58.667 14.724 1.00 14.24 H new ATOM 0 HA ALA B 53 36.218 59.892 12.642 1.00 16.39 H new ATOM 0 HB1 ALA B 53 34.002 60.805 12.562 1.00 12.59 H new ATOM 0 HB2 ALA B 53 33.970 59.261 12.914 1.00 12.59 H new ATOM 0 HB3 ALA B 53 33.787 60.338 14.060 1.00 12.59 H new ATOM 1213 N PRO B 54 35.955 62.169 14.887 1.00 19.38 N ATOM 1214 CA PRO B 54 36.406 63.536 15.219 1.00 18.45 C ATOM 1215 C PRO B 54 37.924 63.696 15.162 1.00 17.98 C ATOM 1216 O PRO B 54 38.442 64.719 14.690 1.00 15.73 O ATOM 1217 CB PRO B 54 35.874 63.778 16.636 1.00 18.36 C ATOM 1218 CG PRO B 54 34.864 62.743 16.872 1.00 20.76 C ATOM 1219 CD PRO B 54 35.133 61.575 15.960 1.00 18.73 C ATOM 0 HA PRO B 54 36.074 64.181 14.575 1.00 18.45 H new ATOM 0 HB2 PRO B 54 36.589 63.721 17.289 1.00 18.36 H new ATOM 0 HB3 PRO B 54 35.488 64.664 16.715 1.00 18.36 H new ATOM 0 HG2 PRO B 54 34.888 62.457 17.798 1.00 20.76 H new ATOM 0 HG3 PRO B 54 33.976 63.098 16.708 1.00 20.76 H new ATOM 0 HD2 PRO B 54 35.604 60.862 16.420 1.00 18.73 H new ATOM 0 HD3 PRO B 54 34.311 61.194 15.613 1.00 18.73 H new ATOM 1220 N LYS B 55 38.622 62.671 15.646 1.00 17.90 N ATOM 1221 CA LYS B 55 40.086 62.626 15.676 1.00 20.22 C ATOM 1222 C LYS B 55 40.689 62.587 14.266 1.00 20.17 C ATOM 1223 O LYS B 55 41.760 63.172 14.009 1.00 18.37 O ATOM 1224 CB LYS B 55 40.556 61.375 16.437 1.00 23.75 C ATOM 1225 CG LYS B 55 40.652 61.543 17.926 1.00 29.40 C ATOM 1226 CD LYS B 55 39.778 60.549 18.652 1.00 35.62 C ATOM 1227 CE LYS B 55 39.274 61.133 19.988 1.00 41.04 C ATOM 1228 NZ LYS B 55 37.818 61.499 19.959 1.00 41.03 N ATOM 0 H LYS B 55 38.252 61.967 15.973 1.00 17.90 H new ATOM 0 HA LYS B 55 40.387 63.434 16.121 1.00 20.22 H new ATOM 0 HB2 LYS B 55 39.945 60.647 16.245 1.00 23.75 H new ATOM 0 HB3 LYS B 55 41.426 61.113 16.097 1.00 23.75 H new ATOM 0 HG2 LYS B 55 41.574 61.431 18.207 1.00 29.40 H new ATOM 0 HG3 LYS B 55 40.389 62.445 18.169 1.00 29.40 H new ATOM 0 HD2 LYS B 55 39.022 60.309 18.094 1.00 35.62 H new ATOM 0 HD3 LYS B 55 40.278 59.734 18.819 1.00 35.62 H new ATOM 0 HE2 LYS B 55 39.425 60.486 20.695 1.00 41.04 H new ATOM 0 HE3 LYS B 55 39.796 61.921 20.208 1.00 41.04 H new ATOM 0 HZ1 LYS B 55 37.487 61.465 20.784 1.00 41.03 H new ATOM 0 HZ2 LYS B 55 37.725 62.323 19.636 1.00 41.03 H new ATOM 0 HZ3 LYS B 55 37.378 60.926 19.439 1.00 41.03 H new ATOM 1229 N TYR B 56 40.006 61.870 13.372 1.00 17.43 N ATOM 1230 CA TYR B 56 40.436 61.705 11.983 1.00 17.44 C ATOM 1231 C TYR B 56 40.317 63.037 11.212 1.00 17.13 C ATOM 1232 O TYR B 56 41.153 63.363 10.371 1.00 14.98 O ATOM 1233 CB TYR B 56 39.589 60.607 11.325 1.00 15.07 C ATOM 1234 CG TYR B 56 40.118 60.105 10.011 1.00 12.06 C ATOM 1235 CD1 TYR B 56 41.345 59.449 9.938 1.00 12.53 C ATOM 1236 CD2 TYR B 56 39.373 60.254 8.836 1.00 11.27 C ATOM 1237 CE1 TYR B 56 41.817 58.951 8.718 1.00 11.72 C ATOM 1238 CE2 TYR B 56 39.831 59.762 7.625 1.00 6.56 C ATOM 1239 CZ TYR B 56 41.051 59.113 7.576 1.00 9.81 C ATOM 1240 OH TYR B 56 41.522 58.618 6.400 1.00 8.08 O ATOM 0 H TYR B 56 39.272 61.462 13.558 1.00 17.43 H new ATOM 0 HA TYR B 56 41.369 61.442 11.962 1.00 17.44 H new ATOM 0 HB2 TYR B 56 39.519 59.859 11.938 1.00 15.07 H new ATOM 0 HB3 TYR B 56 38.691 60.947 11.189 1.00 15.07 H new ATOM 0 HD1 TYR B 56 41.856 59.341 10.708 1.00 12.53 H new ATOM 0 HD2 TYR B 56 38.553 60.692 8.869 1.00 11.27 H new ATOM 0 HE1 TYR B 56 42.638 58.515 8.675 1.00 11.72 H new ATOM 0 HE2 TYR B 56 39.323 59.867 6.853 1.00 6.56 H new ATOM 0 HH TYR B 56 40.880 58.487 5.874 1.00 8.08 H new ATOM 1241 N GLU B 57 39.269 63.797 11.508 1.00 18.32 N ATOM 1242 CA GLU B 57 39.058 65.106 10.885 1.00 22.02 C ATOM 1243 C GLU B 57 40.213 66.042 11.280 1.00 19.87 C ATOM 1244 O GLU B 57 40.785 66.715 10.432 1.00 16.89 O ATOM 1245 CB GLU B 57 37.735 65.707 11.369 1.00 27.36 C ATOM 1246 CG GLU B 57 36.557 64.772 11.244 1.00 39.11 C ATOM 1247 CD GLU B 57 35.902 64.874 9.889 1.00 48.26 C ATOM 1248 OE1 GLU B 57 36.150 65.884 9.187 1.00 52.21 O ATOM 1249 OE2 GLU B 57 35.144 63.948 9.520 1.00 55.29 O ATOM 0 H GLU B 57 38.660 63.573 12.073 1.00 18.32 H new ATOM 0 HA GLU B 57 39.028 65.002 9.921 1.00 22.02 H new ATOM 0 HB2 GLU B 57 37.830 65.971 12.298 1.00 27.36 H new ATOM 0 HB3 GLU B 57 37.552 66.514 10.862 1.00 27.36 H new ATOM 0 HG2 GLU B 57 36.851 63.860 11.393 1.00 39.11 H new ATOM 0 HG3 GLU B 57 35.907 64.977 11.934 1.00 39.11 H new ATOM 1250 N LYS B 58 40.537 66.075 12.575 1.00 19.22 N ATOM 1251 CA LYS B 58 41.628 66.904 13.094 1.00 20.85 C ATOM 1252 C LYS B 58 42.963 66.557 12.439 1.00 20.23 C ATOM 1253 O LYS B 58 43.792 67.442 12.220 1.00 19.76 O ATOM 1254 CB LYS B 58 41.774 66.731 14.613 1.00 25.07 C ATOM 1255 CG LYS B 58 40.678 67.388 15.442 1.00 31.91 C ATOM 1256 CD LYS B 58 40.701 68.898 15.302 1.00 41.06 C ATOM 1257 CE LYS B 58 42.086 69.471 15.606 1.00 46.84 C ATOM 1258 NZ LYS B 58 42.401 69.457 17.071 1.00 50.22 N ATOM 0 H LYS B 58 40.129 65.616 13.178 1.00 19.22 H new ATOM 0 HA LYS B 58 41.400 67.823 12.885 1.00 20.85 H new ATOM 0 HB2 LYS B 58 41.791 65.783 14.817 1.00 25.07 H new ATOM 0 HB3 LYS B 58 42.630 67.096 14.886 1.00 25.07 H new ATOM 0 HG2 LYS B 58 39.813 67.050 15.162 1.00 31.91 H new ATOM 0 HG3 LYS B 58 40.789 67.147 16.375 1.00 31.91 H new ATOM 0 HD2 LYS B 58 40.439 69.144 14.401 1.00 41.06 H new ATOM 0 HD3 LYS B 58 40.049 69.289 15.904 1.00 41.06 H new ATOM 0 HE2 LYS B 58 42.757 68.959 15.129 1.00 46.84 H new ATOM 0 HE3 LYS B 58 42.136 70.382 15.276 1.00 46.84 H new ATOM 0 HZ1 LYS B 58 43.213 69.797 17.204 1.00 50.22 H new ATOM 0 HZ2 LYS B 58 41.800 69.945 17.509 1.00 50.22 H new ATOM 0 HZ3 LYS B 58 42.378 68.620 17.372 1.00 50.22 H new ATOM 1259 N LEU B 59 43.185 65.276 12.134 1.00 15.61 N ATOM 1260 CA LEU B 59 44.438 64.857 11.500 1.00 14.17 C ATOM 1261 C LEU B 59 44.540 65.417 10.069 1.00 11.99 C ATOM 1262 O LEU B 59 45.627 65.778 9.600 1.00 11.42 O ATOM 1263 CB LEU B 59 44.529 63.323 11.466 1.00 16.52 C ATOM 1264 CG LEU B 59 45.083 62.564 12.675 1.00 15.17 C ATOM 1265 CD1 LEU B 59 44.892 61.083 12.440 1.00 19.33 C ATOM 1266 CD2 LEU B 59 46.540 62.861 12.866 1.00 20.27 C ATOM 0 H LEU B 59 42.628 64.639 12.285 1.00 15.61 H new ATOM 0 HA LEU B 59 45.175 65.209 12.024 1.00 14.17 H new ATOM 0 HB2 LEU B 59 43.636 62.984 11.297 1.00 16.52 H new ATOM 0 HB3 LEU B 59 45.073 63.083 10.700 1.00 16.52 H new ATOM 0 HG LEU B 59 44.610 62.844 13.474 1.00 15.17 H new ATOM 0 HD11 LEU B 59 45.239 60.587 13.198 1.00 19.33 H new ATOM 0 HD12 LEU B 59 43.947 60.891 12.333 1.00 19.33 H new ATOM 0 HD13 LEU B 59 45.368 60.819 11.637 1.00 19.33 H new ATOM 0 HD21 LEU B 59 46.872 62.372 13.635 1.00 20.27 H new ATOM 0 HD22 LEU B 59 47.032 62.591 12.075 1.00 20.27 H new ATOM 0 HD23 LEU B 59 46.660 63.812 13.012 1.00 20.27 H new ATOM 1267 N ALA B 60 43.399 65.463 9.383 1.00 12.09 N ATOM 1268 CA ALA B 60 43.322 65.978 8.022 1.00 13.54 C ATOM 1269 C ALA B 60 43.648 67.472 8.014 1.00 14.22 C ATOM 1270 O ALA B 60 44.211 67.986 7.056 1.00 12.44 O ATOM 1271 CB ALA B 60 41.920 65.738 7.450 1.00 14.43 C ATOM 0 H ALA B 60 42.645 65.194 9.698 1.00 12.09 H new ATOM 0 HA ALA B 60 43.968 65.513 7.468 1.00 13.54 H new ATOM 0 HB1 ALA B 60 41.876 66.083 6.545 1.00 14.43 H new ATOM 0 HB2 ALA B 60 41.732 64.786 7.442 1.00 14.43 H new ATOM 0 HB3 ALA B 60 41.263 66.192 8.001 1.00 14.43 H new ATOM 1272 N GLU B 61 43.292 68.164 9.086 1.00 13.62 N ATOM 1273 CA GLU B 61 43.584 69.587 9.199 1.00 18.97 C ATOM 1274 C GLU B 61 45.064 69.867 9.445 1.00 18.49 C ATOM 1275 O GLU B 61 45.601 70.846 8.932 1.00 20.50 O ATOM 1276 CB GLU B 61 42.772 70.212 10.339 1.00 21.96 C ATOM 1277 CG GLU B 61 41.330 70.515 9.993 1.00 29.38 C ATOM 1278 CD GLU B 61 40.436 70.583 11.223 1.00 35.84 C ATOM 1279 OE1 GLU B 61 40.905 71.067 12.277 1.00 37.10 O ATOM 1280 OE2 GLU B 61 39.263 70.150 11.137 1.00 39.46 O ATOM 0 H GLU B 61 42.879 67.829 9.762 1.00 13.62 H new ATOM 0 HA GLU B 61 43.338 69.983 8.349 1.00 18.97 H new ATOM 0 HB2 GLU B 61 42.790 69.611 11.100 1.00 21.96 H new ATOM 0 HB3 GLU B 61 43.205 71.034 10.616 1.00 21.96 H new ATOM 0 HG2 GLU B 61 41.285 71.359 9.518 1.00 29.38 H new ATOM 0 HG3 GLU B 61 40.995 69.832 9.391 1.00 29.38 H new ATOM 1281 N GLU B 62 45.745 69.005 10.196 1.00 19.31 N ATOM 1282 CA GLU B 62 47.149 69.265 10.498 1.00 20.06 C ATOM 1283 C GLU B 62 48.169 68.702 9.543 1.00 20.01 C ATOM 1284 O GLU B 62 49.321 69.128 9.556 1.00 20.81 O ATOM 1285 CB GLU B 62 47.501 68.800 11.910 1.00 26.08 C ATOM 1286 CG GLU B 62 47.057 67.416 12.239 1.00 34.14 C ATOM 1287 CD GLU B 62 47.213 67.113 13.713 1.00 40.32 C ATOM 1288 OE1 GLU B 62 48.364 66.855 14.144 1.00 43.17 O ATOM 1289 OE2 GLU B 62 46.187 67.139 14.434 1.00 42.46 O ATOM 0 H GLU B 62 45.423 68.282 10.533 1.00 19.31 H new ATOM 0 HA GLU B 62 47.210 70.229 10.404 1.00 20.06 H new ATOM 0 HB2 GLU B 62 48.463 68.854 12.025 1.00 26.08 H new ATOM 0 HB3 GLU B 62 47.104 69.414 12.548 1.00 26.08 H new ATOM 0 HG2 GLU B 62 46.128 67.304 11.982 1.00 34.14 H new ATOM 0 HG3 GLU B 62 47.573 66.779 11.721 1.00 34.14 H new ATOM 1290 N TYR B 63 47.779 67.737 8.724 1.00 15.24 N ATOM 1291 CA TYR B 63 48.733 67.172 7.780 1.00 16.71 C ATOM 1292 C TYR B 63 48.240 67.433 6.372 1.00 15.45 C ATOM 1293 O TYR B 63 47.554 66.602 5.778 1.00 9.84 O ATOM 1294 CB TYR B 63 48.933 65.661 8.046 1.00 19.27 C ATOM 1295 CG TYR B 63 49.589 65.401 9.392 1.00 22.66 C ATOM 1296 CD1 TYR B 63 50.927 65.758 9.621 1.00 24.38 C ATOM 1297 CD2 TYR B 63 48.856 64.880 10.461 1.00 24.06 C ATOM 1298 CE1 TYR B 63 51.513 65.608 10.891 1.00 24.23 C ATOM 1299 CE2 TYR B 63 49.432 64.726 11.732 1.00 26.64 C ATOM 1300 CZ TYR B 63 50.757 65.097 11.937 1.00 26.71 C ATOM 1301 OH TYR B 63 51.308 64.987 13.198 1.00 29.40 O ATOM 0 H TYR B 63 46.988 67.401 8.696 1.00 15.24 H new ATOM 0 HA TYR B 63 49.599 67.595 7.891 1.00 16.71 H new ATOM 0 HB2 TYR B 63 48.074 65.211 8.014 1.00 19.27 H new ATOM 0 HB3 TYR B 63 49.480 65.279 7.342 1.00 19.27 H new ATOM 0 HD1 TYR B 63 51.435 66.100 8.921 1.00 24.38 H new ATOM 0 HD2 TYR B 63 47.970 64.631 10.328 1.00 24.06 H new ATOM 0 HE1 TYR B 63 52.400 65.849 11.029 1.00 24.23 H new ATOM 0 HE2 TYR B 63 48.930 64.378 12.433 1.00 26.64 H new ATOM 0 HH TYR B 63 50.739 64.665 13.726 1.00 29.40 H new ATOM 1302 N LEU B 64 48.602 68.606 5.848 1.00 15.12 N ATOM 1303 CA LEU B 64 48.176 69.027 4.517 1.00 17.03 C ATOM 1304 C LEU B 64 48.796 68.262 3.355 1.00 15.45 C ATOM 1305 O LEU B 64 48.271 68.304 2.239 1.00 18.30 O ATOM 1306 CB LEU B 64 48.436 70.528 4.336 1.00 15.34 C ATOM 1307 CG LEU B 64 47.675 71.460 5.278 1.00 17.63 C ATOM 1308 CD1 LEU B 64 47.855 72.890 4.803 1.00 22.36 C ATOM 1309 CD2 LEU B 64 46.208 71.115 5.311 1.00 16.05 C ATOM 0 H LEU B 64 49.100 69.177 6.255 1.00 15.12 H new ATOM 0 HA LEU B 64 47.228 68.822 4.483 1.00 17.03 H new ATOM 0 HB2 LEU B 64 49.386 70.689 4.449 1.00 15.34 H new ATOM 0 HB3 LEU B 64 48.214 70.769 3.423 1.00 15.34 H new ATOM 0 HG LEU B 64 48.028 71.358 6.176 1.00 17.63 H new ATOM 0 HD11 LEU B 64 47.375 73.491 5.395 1.00 22.36 H new ATOM 0 HD12 LEU B 64 48.798 73.117 4.808 1.00 22.36 H new ATOM 0 HD13 LEU B 64 47.507 72.978 3.902 1.00 22.36 H new ATOM 0 HD21 LEU B 64 45.747 71.719 5.914 1.00 16.05 H new ATOM 0 HD22 LEU B 64 45.835 71.202 4.420 1.00 16.05 H new ATOM 0 HD23 LEU B 64 46.097 70.202 5.620 1.00 16.05 H new ATOM 1310 N ASP B 65 49.897 67.567 3.619 1.00 14.25 N ATOM 1311 CA ASP B 65 50.596 66.805 2.599 1.00 15.79 C ATOM 1312 C ASP B 65 50.187 65.331 2.521 1.00 16.38 C ATOM 1313 O ASP B 65 50.897 64.495 1.939 1.00 17.18 O ATOM 1314 CB ASP B 65 52.108 66.926 2.804 1.00 18.19 C ATOM 1315 CG ASP B 65 52.541 66.601 4.219 1.00 21.07 C ATOM 1316 OD1 ASP B 65 51.709 66.677 5.158 1.00 20.79 O ATOM 1317 OD2 ASP B 65 53.736 66.268 4.380 1.00 28.91 O ATOM 0 H ASP B 65 50.259 67.526 4.398 1.00 14.25 H new ATOM 0 HA ASP B 65 50.337 67.193 1.749 1.00 15.79 H new ATOM 0 HB2 ASP B 65 52.562 66.330 2.187 1.00 18.19 H new ATOM 0 HB3 ASP B 65 52.388 67.828 2.585 1.00 18.19 H new ATOM 1318 N VAL B 66 49.028 65.026 3.089 1.00 15.92 N ATOM 1319 CA VAL B 66 48.467 63.670 3.076 1.00 13.80 C ATOM 1320 C VAL B 66 46.984 63.831 2.748 1.00 12.61 C ATOM 1321 O VAL B 66 46.340 64.758 3.243 1.00 13.43 O ATOM 1322 CB VAL B 66 48.569 62.972 4.474 1.00 14.76 C ATOM 1323 CG1 VAL B 66 47.810 61.635 4.444 1.00 11.65 C ATOM 1324 CG2 VAL B 66 50.043 62.778 4.873 1.00 14.64 C ATOM 0 H VAL B 66 48.537 65.601 3.498 1.00 15.92 H new ATOM 0 HA VAL B 66 48.954 63.127 2.437 1.00 13.80 H new ATOM 0 HB VAL B 66 48.158 63.538 5.146 1.00 14.76 H new ATOM 0 HG11 VAL B 66 47.876 61.206 5.311 1.00 11.65 H new ATOM 0 HG12 VAL B 66 46.877 61.797 4.234 1.00 11.65 H new ATOM 0 HG13 VAL B 66 48.198 61.058 3.768 1.00 11.65 H new ATOM 0 HG21 VAL B 66 50.090 62.345 5.740 1.00 14.64 H new ATOM 0 HG22 VAL B 66 50.487 62.225 4.212 1.00 14.64 H new ATOM 0 HG23 VAL B 66 50.482 63.642 4.919 1.00 14.64 H new ATOM 1325 N ILE B 67 46.452 62.940 1.912 1.00 11.71 N ATOM 1326 CA ILE B 67 45.042 62.959 1.540 1.00 10.70 C ATOM 1327 C ILE B 67 44.288 62.010 2.492 1.00 10.57 C ATOM 1328 O ILE B 67 44.652 60.852 2.641 1.00 10.93 O ATOM 1329 CB ILE B 67 44.870 62.494 0.069 1.00 11.15 C ATOM 1330 CG1 ILE B 67 45.613 63.477 -0.848 1.00 15.34 C ATOM 1331 CG2 ILE B 67 43.377 62.368 -0.287 1.00 10.54 C ATOM 1332 CD1 ILE B 67 45.573 63.145 -2.323 1.00 14.87 C ATOM 0 H ILE B 67 46.902 62.306 1.544 1.00 11.71 H new ATOM 0 HA ILE B 67 44.687 63.859 1.613 1.00 10.70 H new ATOM 0 HB ILE B 67 45.255 61.612 -0.054 1.00 11.15 H new ATOM 0 HG12 ILE B 67 45.237 64.362 -0.721 1.00 15.34 H new ATOM 0 HG13 ILE B 67 46.540 63.520 -0.567 1.00 15.34 H new ATOM 0 HG21 ILE B 67 43.287 62.077 -1.208 1.00 10.54 H new ATOM 0 HG22 ILE B 67 42.958 61.719 0.299 1.00 10.54 H new ATOM 0 HG23 ILE B 67 42.944 63.229 -0.177 1.00 10.54 H new ATOM 0 HD11 ILE B 67 46.066 63.817 -2.820 1.00 14.87 H new ATOM 0 HD12 ILE B 67 45.976 62.275 -2.470 1.00 14.87 H new ATOM 0 HD13 ILE B 67 44.652 63.130 -2.627 1.00 14.87 H new ATOM 1333 N PHE B 68 43.246 62.509 3.138 1.00 10.60 N ATOM 1334 CA PHE B 68 42.474 61.696 4.063 1.00 11.39 C ATOM 1335 C PHE B 68 41.101 61.414 3.461 1.00 12.55 C ATOM 1336 O PHE B 68 40.344 62.336 3.136 1.00 8.88 O ATOM 1337 CB PHE B 68 42.320 62.410 5.420 1.00 13.46 C ATOM 1338 CG PHE B 68 43.597 62.491 6.223 1.00 12.87 C ATOM 1339 CD1 PHE B 68 44.497 63.532 6.021 1.00 11.68 C ATOM 1340 CD2 PHE B 68 43.898 61.526 7.184 1.00 14.05 C ATOM 1341 CE1 PHE B 68 45.675 63.609 6.764 1.00 12.31 C ATOM 1342 CE2 PHE B 68 45.076 61.594 7.930 1.00 13.42 C ATOM 1343 CZ PHE B 68 45.966 62.633 7.721 1.00 6.86 C ATOM 0 H PHE B 68 42.968 63.319 3.055 1.00 10.60 H new ATOM 0 HA PHE B 68 42.942 60.860 4.213 1.00 11.39 H new ATOM 0 HB2 PHE B 68 41.989 63.309 5.266 1.00 13.46 H new ATOM 0 HB3 PHE B 68 41.649 61.946 5.944 1.00 13.46 H new ATOM 0 HD1 PHE B 68 44.311 64.184 5.384 1.00 11.68 H new ATOM 0 HD2 PHE B 68 43.304 60.826 7.330 1.00 14.05 H new ATOM 0 HE1 PHE B 68 46.268 64.311 6.622 1.00 12.31 H new ATOM 0 HE2 PHE B 68 45.262 60.942 8.566 1.00 13.42 H new ATOM 0 HZ PHE B 68 46.753 62.681 8.214 1.00 6.86 H new ATOM 1344 N LEU B 69 40.792 60.124 3.313 1.00 12.17 N ATOM 1345 CA LEU B 69 39.518 59.669 2.747 1.00 9.89 C ATOM 1346 C LEU B 69 38.773 58.711 3.689 1.00 9.78 C ATOM 1347 O LEU B 69 39.313 58.260 4.695 1.00 10.09 O ATOM 1348 CB LEU B 69 39.774 58.944 1.423 1.00 8.81 C ATOM 1349 CG LEU B 69 40.622 59.644 0.346 1.00 13.36 C ATOM 1350 CD1 LEU B 69 40.867 58.652 -0.797 1.00 11.22 C ATOM 1351 CD2 LEU B 69 39.922 60.908 -0.179 1.00 5.75 C ATOM 0 H LEU B 69 41.319 59.484 3.540 1.00 12.17 H new ATOM 0 HA LEU B 69 38.967 60.456 2.613 1.00 9.89 H new ATOM 0 HB2 LEU B 69 40.201 58.098 1.629 1.00 8.81 H new ATOM 0 HB3 LEU B 69 38.912 58.738 1.030 1.00 8.81 H new ATOM 0 HG LEU B 69 41.467 59.923 0.733 1.00 13.36 H new ATOM 0 HD11 LEU B 69 41.401 59.077 -1.486 1.00 11.22 H new ATOM 0 HD12 LEU B 69 41.338 57.876 -0.456 1.00 11.22 H new ATOM 0 HD13 LEU B 69 40.017 58.375 -1.173 1.00 11.22 H new ATOM 0 HD21 LEU B 69 40.477 61.328 -0.855 1.00 5.75 H new ATOM 0 HD22 LEU B 69 39.067 60.667 -0.568 1.00 5.75 H new ATOM 0 HD23 LEU B 69 39.780 61.528 0.554 1.00 5.75 H new ATOM 1352 N LYS B 70 37.514 58.434 3.383 1.00 9.33 N ATOM 1353 CA LYS B 70 36.755 57.482 4.175 1.00 10.40 C ATOM 1354 C LYS B 70 35.819 56.711 3.253 1.00 9.29 C ATOM 1355 O LYS B 70 35.342 57.228 2.240 1.00 8.51 O ATOM 1356 CB LYS B 70 36.004 58.164 5.334 1.00 8.86 C ATOM 1357 CG LYS B 70 34.851 59.049 4.934 1.00 13.31 C ATOM 1358 CD LYS B 70 34.158 59.630 6.152 1.00 14.94 C ATOM 1359 CE LYS B 70 32.816 60.218 5.766 1.00 20.38 C ATOM 1360 NZ LYS B 70 32.287 61.130 6.810 1.00 25.06 N ATOM 0 H LYS B 70 37.084 58.784 2.726 1.00 9.33 H new ATOM 0 HA LYS B 70 37.367 56.857 4.595 1.00 10.40 H new ATOM 0 HB2 LYS B 70 35.670 57.476 5.931 1.00 8.86 H new ATOM 0 HB3 LYS B 70 36.638 58.696 5.840 1.00 8.86 H new ATOM 0 HG2 LYS B 70 35.173 59.768 4.368 1.00 13.31 H new ATOM 0 HG3 LYS B 70 34.215 58.538 4.409 1.00 13.31 H new ATOM 0 HD2 LYS B 70 34.034 58.939 6.821 1.00 14.94 H new ATOM 0 HD3 LYS B 70 34.715 60.316 6.552 1.00 14.94 H new ATOM 0 HE2 LYS B 70 32.904 60.702 4.930 1.00 20.38 H new ATOM 0 HE3 LYS B 70 32.181 59.500 5.613 1.00 20.38 H new ATOM 0 HZ1 LYS B 70 31.501 61.455 6.550 1.00 25.06 H new ATOM 0 HZ2 LYS B 70 32.185 60.682 7.572 1.00 25.06 H new ATOM 0 HZ3 LYS B 70 32.858 61.801 6.935 1.00 25.06 H new ATOM 1361 N LEU B 71 35.592 55.454 3.609 1.00 9.92 N ATOM 1362 CA LEU B 71 34.765 54.565 2.824 1.00 10.40 C ATOM 1363 C LEU B 71 33.758 53.805 3.690 1.00 10.38 C ATOM 1364 O LEU B 71 34.139 53.097 4.614 1.00 11.29 O ATOM 1365 CB LEU B 71 35.669 53.567 2.082 1.00 9.45 C ATOM 1366 CG LEU B 71 34.949 52.426 1.340 1.00 9.70 C ATOM 1367 CD1 LEU B 71 34.308 52.941 0.042 1.00 6.64 C ATOM 1368 CD2 LEU B 71 35.962 51.332 1.024 1.00 12.64 C ATOM 0 H LEU B 71 35.918 55.094 4.319 1.00 9.92 H new ATOM 0 HA LEU B 71 34.259 55.100 2.193 1.00 10.40 H new ATOM 0 HB2 LEU B 71 36.205 54.059 1.440 1.00 9.45 H new ATOM 0 HB3 LEU B 71 36.283 53.175 2.723 1.00 9.45 H new ATOM 0 HG LEU B 71 34.243 52.072 1.903 1.00 9.70 H new ATOM 0 HD11 LEU B 71 33.860 52.209 -0.410 1.00 6.64 H new ATOM 0 HD12 LEU B 71 33.663 53.634 0.252 1.00 6.64 H new ATOM 0 HD13 LEU B 71 34.996 53.305 -0.536 1.00 6.64 H new ATOM 0 HD21 LEU B 71 35.520 50.607 0.556 1.00 12.64 H new ATOM 0 HD22 LEU B 71 36.667 51.695 0.465 1.00 12.64 H new ATOM 0 HD23 LEU B 71 36.345 50.997 1.850 1.00 12.64 H new ATOM 1369 N ASP B 72 32.469 53.964 3.393 1.00 9.67 N ATOM 1370 CA ASP B 72 31.442 53.255 4.133 1.00 10.58 C ATOM 1371 C ASP B 72 31.431 51.858 3.521 1.00 11.20 C ATOM 1372 O ASP B 72 31.033 51.682 2.372 1.00 11.03 O ATOM 1373 CB ASP B 72 30.086 53.919 3.933 1.00 12.34 C ATOM 1374 CG ASP B 72 28.983 53.248 4.731 1.00 16.37 C ATOM 1375 OD1 ASP B 72 29.196 52.130 5.250 1.00 20.00 O ATOM 1376 OD2 ASP B 72 27.900 53.846 4.849 1.00 15.70 O ATOM 0 H ASP B 72 32.174 54.477 2.768 1.00 9.67 H new ATOM 0 HA ASP B 72 31.616 53.247 5.087 1.00 10.58 H new ATOM 0 HB2 ASP B 72 30.146 54.852 4.191 1.00 12.34 H new ATOM 0 HB3 ASP B 72 29.856 53.900 2.991 1.00 12.34 H new ATOM 1377 N CYS B 73 31.887 50.875 4.290 1.00 11.96 N ATOM 1378 CA CYS B 73 31.947 49.488 3.821 1.00 14.12 C ATOM 1379 C CYS B 73 30.587 48.811 3.897 1.00 13.32 C ATOM 1380 O CYS B 73 30.377 47.918 4.719 1.00 12.99 O ATOM 1381 CB CYS B 73 32.986 48.717 4.646 1.00 16.28 C ATOM 1382 SG CYS B 73 34.680 49.260 4.333 1.00 15.00 S ATOM 0 H CYS B 73 32.170 50.989 5.094 1.00 11.96 H new ATOM 0 HA CYS B 73 32.212 49.489 2.888 1.00 14.12 H new ATOM 0 HB2 CYS B 73 32.787 48.824 5.589 1.00 16.28 H new ATOM 0 HB3 CYS B 73 32.913 47.771 4.446 1.00 16.28 H new ATOM 0 HG CYS B 73 35.447 48.499 4.854 1.00 15.00 H new ATOM 1383 N ASN B 74 29.688 49.242 3.012 1.00 11.53 N ATOM 1384 CA ASN B 74 28.319 48.745 2.938 1.00 13.02 C ATOM 1385 C ASN B 74 28.132 47.777 1.773 1.00 14.40 C ATOM 1386 O ASN B 74 29.110 47.364 1.151 1.00 15.98 O ATOM 1387 CB ASN B 74 27.346 49.926 2.802 1.00 13.12 C ATOM 1388 CG ASN B 74 27.656 50.821 1.590 1.00 15.43 C ATOM 1389 OD1 ASN B 74 28.390 50.439 0.681 1.00 18.18 O ATOM 1390 ND2 ASN B 74 27.092 52.014 1.583 1.00 14.58 N ATOM 0 H ASN B 74 29.864 49.846 2.425 1.00 11.53 H new ATOM 0 HA ASN B 74 28.132 48.259 3.757 1.00 13.02 H new ATOM 0 HB2 ASN B 74 26.441 49.586 2.724 1.00 13.12 H new ATOM 0 HB3 ASN B 74 27.379 50.461 3.610 1.00 13.12 H new ATOM 0 HD21 ASN B 74 27.233 52.553 0.928 1.00 14.58 H new ATOM 0 HD22 ASN B 74 26.583 52.253 2.234 1.00 14.58 H new ATOM 1391 N GLN B 75 26.884 47.428 1.457 1.00 13.05 N ATOM 1392 CA GLN B 75 26.644 46.483 0.373 1.00 15.31 C ATOM 1393 C GLN B 75 27.056 47.036 -0.984 1.00 16.70 C ATOM 1394 O GLN B 75 27.631 46.323 -1.808 1.00 16.96 O ATOM 1395 CB GLN B 75 25.178 46.060 0.354 1.00 17.30 C ATOM 1396 CG GLN B 75 24.802 45.123 1.515 1.00 18.68 C ATOM 1397 CD GLN B 75 23.323 44.742 1.531 1.00 19.08 C ATOM 1398 OE1 GLN B 75 22.459 45.559 1.845 1.00 15.95 O ATOM 1399 NE2 GLN B 75 23.033 43.490 1.196 1.00 19.59 N ATOM 0 H GLN B 75 26.178 47.721 1.850 1.00 13.05 H new ATOM 0 HA GLN B 75 27.200 45.706 0.543 1.00 15.31 H new ATOM 0 HB2 GLN B 75 24.619 46.852 0.391 1.00 17.30 H new ATOM 0 HB3 GLN B 75 24.986 45.616 -0.487 1.00 17.30 H new ATOM 0 HG2 GLN B 75 25.337 44.316 1.457 1.00 18.68 H new ATOM 0 HG3 GLN B 75 25.028 45.553 2.355 1.00 18.68 H new ATOM 0 HE21 GLN B 75 23.663 42.945 0.982 1.00 19.59 H new ATOM 0 HE22 GLN B 75 22.215 43.224 1.193 1.00 19.59 H new ATOM 1400 N GLU B 76 26.782 48.315 -1.203 1.00 17.57 N ATOM 1401 CA GLU B 76 27.134 48.993 -2.454 1.00 18.50 C ATOM 1402 C GLU B 76 28.651 49.012 -2.738 1.00 14.84 C ATOM 1403 O GLU B 76 29.085 48.871 -3.883 1.00 14.58 O ATOM 1404 CB GLU B 76 26.606 50.438 -2.410 1.00 26.51 C ATOM 1405 CG GLU B 76 26.595 51.154 -3.777 1.00 40.09 C ATOM 1406 CD GLU B 76 27.362 52.473 -3.763 1.00 45.53 C ATOM 1407 OE1 GLU B 76 27.069 53.310 -2.877 1.00 50.84 O ATOM 1408 OE2 GLU B 76 28.253 52.669 -4.629 1.00 44.33 O ATOM 0 H GLU B 76 26.385 48.820 -0.631 1.00 17.57 H new ATOM 0 HA GLU B 76 26.722 48.489 -3.173 1.00 18.50 H new ATOM 0 HB2 GLU B 76 25.704 50.430 -2.054 1.00 26.51 H new ATOM 0 HB3 GLU B 76 27.150 50.951 -1.793 1.00 26.51 H new ATOM 0 HG2 GLU B 76 26.981 50.568 -4.447 1.00 40.09 H new ATOM 0 HG3 GLU B 76 25.677 51.322 -4.042 1.00 40.09 H new ATOM 1409 N ASN B 77 29.443 49.195 -1.687 1.00 12.48 N ATOM 1410 CA ASN B 77 30.900 49.279 -1.778 1.00 11.47 C ATOM 1411 C ASN B 77 31.641 47.982 -1.442 1.00 14.20 C ATOM 1412 O ASN B 77 32.866 47.975 -1.297 1.00 10.49 O ATOM 1413 CB ASN B 77 31.383 50.389 -0.846 1.00 12.72 C ATOM 1414 CG ASN B 77 30.949 51.744 -1.319 1.00 13.32 C ATOM 1415 OD1 ASN B 77 30.930 51.992 -2.518 1.00 13.71 O ATOM 1416 ND2 ASN B 77 30.592 52.628 -0.395 1.00 9.30 N ATOM 0 H ASN B 77 29.144 49.276 -0.885 1.00 12.48 H new ATOM 0 HA ASN B 77 31.105 49.465 -2.708 1.00 11.47 H new ATOM 0 HB2 ASN B 77 31.039 50.233 0.047 1.00 12.72 H new ATOM 0 HB3 ASN B 77 32.351 50.362 -0.786 1.00 12.72 H new ATOM 0 HD21 ASN B 77 30.333 53.414 -0.629 1.00 9.30 H new ATOM 0 HD22 ASN B 77 30.619 52.415 0.438 1.00 9.30 H new ATOM 1417 N LYS B 78 30.884 46.895 -1.331 1.00 13.91 N ATOM 1418 CA LYS B 78 31.416 45.582 -0.999 1.00 16.29 C ATOM 1419 C LYS B 78 32.640 45.188 -1.820 1.00 14.07 C ATOM 1420 O LYS B 78 33.657 44.774 -1.281 1.00 14.79 O ATOM 1421 CB LYS B 78 30.307 44.548 -1.192 1.00 21.78 C ATOM 1422 CG LYS B 78 30.565 43.186 -0.596 1.00 29.06 C ATOM 1423 CD LYS B 78 29.408 42.258 -0.986 1.00 36.88 C ATOM 1424 CE LYS B 78 29.818 40.785 -0.985 1.00 42.26 C ATOM 1425 NZ LYS B 78 29.884 40.253 0.411 1.00 47.44 N ATOM 0 H LYS B 78 30.032 46.902 -1.449 1.00 13.91 H new ATOM 0 HA LYS B 78 31.714 45.615 -0.077 1.00 16.29 H new ATOM 0 HB2 LYS B 78 29.489 44.901 -0.807 1.00 21.78 H new ATOM 0 HB3 LYS B 78 30.150 44.441 -2.143 1.00 21.78 H new ATOM 0 HG2 LYS B 78 31.407 42.830 -0.920 1.00 29.06 H new ATOM 0 HG3 LYS B 78 30.637 43.248 0.369 1.00 29.06 H new ATOM 0 HD2 LYS B 78 28.671 42.387 -0.368 1.00 36.88 H new ATOM 0 HD3 LYS B 78 29.085 42.501 -1.868 1.00 36.88 H new ATOM 0 HE2 LYS B 78 29.182 40.268 -1.503 1.00 42.26 H new ATOM 0 HE3 LYS B 78 30.682 40.685 -1.415 1.00 42.26 H new ATOM 0 HZ1 LYS B 78 30.124 39.396 0.391 1.00 47.44 H new ATOM 0 HZ2 LYS B 78 30.483 40.717 0.878 1.00 47.44 H new ATOM 0 HZ3 LYS B 78 29.085 40.328 0.796 1.00 47.44 H new ATOM 1426 N THR B 79 32.549 45.311 -3.132 1.00 16.06 N ATOM 1427 CA THR B 79 33.682 44.935 -3.970 1.00 18.02 C ATOM 1428 C THR B 79 34.981 45.661 -3.582 1.00 17.32 C ATOM 1429 O THR B 79 36.047 45.038 -3.522 1.00 15.44 O ATOM 1430 CB THR B 79 33.364 45.193 -5.457 1.00 21.67 C ATOM 1431 OG1 THR B 79 32.703 46.461 -5.588 1.00 27.87 O ATOM 1432 CG2 THR B 79 32.445 44.105 -5.982 1.00 21.56 C ATOM 0 H THR B 79 31.859 45.603 -3.554 1.00 16.06 H new ATOM 0 HA THR B 79 33.828 43.987 -3.825 1.00 18.02 H new ATOM 0 HB THR B 79 34.191 45.194 -5.964 1.00 21.67 H new ATOM 0 HG1 THR B 79 32.530 46.605 -6.397 1.00 27.87 H new ATOM 0 HG21 THR B 79 32.248 44.271 -6.917 1.00 21.56 H new ATOM 0 HG22 THR B 79 32.880 43.243 -5.892 1.00 21.56 H new ATOM 0 HG23 THR B 79 31.619 44.105 -5.473 1.00 21.56 H new ATOM 1433 N LEU B 80 34.897 46.966 -3.313 1.00 14.75 N ATOM 1434 CA LEU B 80 36.090 47.727 -2.951 1.00 13.52 C ATOM 1435 C LEU B 80 36.627 47.355 -1.575 1.00 13.72 C ATOM 1436 O LEU B 80 37.847 47.277 -1.381 1.00 12.22 O ATOM 1437 CB LEU B 80 35.831 49.243 -2.988 1.00 12.88 C ATOM 1438 CG LEU B 80 37.103 50.064 -2.710 1.00 11.85 C ATOM 1439 CD1 LEU B 80 38.170 49.730 -3.746 1.00 9.24 C ATOM 1440 CD2 LEU B 80 36.780 51.554 -2.746 1.00 13.72 C ATOM 0 H LEU B 80 34.168 47.422 -3.334 1.00 14.75 H new ATOM 0 HA LEU B 80 36.757 47.495 -3.616 1.00 13.52 H new ATOM 0 HB2 LEU B 80 35.476 49.487 -3.857 1.00 12.88 H new ATOM 0 HB3 LEU B 80 35.154 49.469 -2.331 1.00 12.88 H new ATOM 0 HG LEU B 80 37.440 49.840 -1.829 1.00 11.85 H new ATOM 0 HD11 LEU B 80 38.969 50.250 -3.567 1.00 9.24 H new ATOM 0 HD12 LEU B 80 38.382 48.785 -3.699 1.00 9.24 H new ATOM 0 HD13 LEU B 80 37.839 49.943 -4.632 1.00 9.24 H new ATOM 0 HD21 LEU B 80 37.586 52.064 -2.570 1.00 13.72 H new ATOM 0 HD22 LEU B 80 36.433 51.789 -3.621 1.00 13.72 H new ATOM 0 HD23 LEU B 80 36.115 51.758 -2.070 1.00 13.72 H new ATOM 1441 N ALA B 81 35.715 47.159 -0.618 1.00 13.33 N ATOM 1442 CA ALA B 81 36.088 46.781 0.745 1.00 11.64 C ATOM 1443 C ALA B 81 36.841 45.459 0.699 1.00 11.90 C ATOM 1444 O ALA B 81 37.866 45.298 1.350 1.00 13.48 O ATOM 1445 CB ALA B 81 34.840 46.647 1.607 1.00 8.29 C ATOM 0 H ALA B 81 34.868 47.241 -0.742 1.00 13.33 H new ATOM 0 HA ALA B 81 36.656 47.465 1.133 1.00 11.64 H new ATOM 0 HB1 ALA B 81 35.095 46.396 2.509 1.00 8.29 H new ATOM 0 HB2 ALA B 81 34.369 47.495 1.628 1.00 8.29 H new ATOM 0 HB3 ALA B 81 34.260 45.965 1.234 1.00 8.29 H new ATOM 1446 N LYS B 82 36.331 44.515 -0.087 1.00 14.85 N ATOM 1447 CA LYS B 82 36.967 43.208 -0.224 1.00 17.17 C ATOM 1448 C LYS B 82 38.305 43.310 -0.993 1.00 15.16 C ATOM 1449 O LYS B 82 39.287 42.671 -0.621 1.00 13.99 O ATOM 1450 CB LYS B 82 36.007 42.247 -0.923 1.00 22.41 C ATOM 1451 CG LYS B 82 36.668 40.990 -1.439 1.00 31.14 C ATOM 1452 CD LYS B 82 35.765 40.266 -2.419 1.00 35.90 C ATOM 1453 CE LYS B 82 36.500 39.089 -3.042 1.00 41.06 C ATOM 1454 NZ LYS B 82 35.581 38.224 -3.828 1.00 42.38 N ATOM 0 H LYS B 82 35.614 44.612 -0.552 1.00 14.85 H new ATOM 0 HA LYS B 82 37.171 42.867 0.661 1.00 17.17 H new ATOM 0 HB2 LYS B 82 35.302 42.001 -0.304 1.00 22.41 H new ATOM 0 HB3 LYS B 82 35.585 42.708 -1.665 1.00 22.41 H new ATOM 0 HG2 LYS B 82 37.506 41.215 -1.872 1.00 31.14 H new ATOM 0 HG3 LYS B 82 36.881 40.404 -0.696 1.00 31.14 H new ATOM 0 HD2 LYS B 82 34.968 39.953 -1.964 1.00 35.90 H new ATOM 0 HD3 LYS B 82 35.474 40.878 -3.113 1.00 35.90 H new ATOM 0 HE2 LYS B 82 37.208 39.417 -3.618 1.00 41.06 H new ATOM 0 HE3 LYS B 82 36.922 38.564 -2.344 1.00 41.06 H new ATOM 0 HZ1 LYS B 82 36.039 37.546 -4.179 1.00 42.38 H new ATOM 0 HZ2 LYS B 82 34.943 37.906 -3.295 1.00 42.38 H new ATOM 0 HZ3 LYS B 82 35.210 38.701 -4.481 1.00 42.38 H new ATOM 1455 N GLU B 83 38.353 44.120 -2.050 1.00 13.83 N ATOM 1456 CA GLU B 83 39.605 44.299 -2.794 1.00 13.99 C ATOM 1457 C GLU B 83 40.694 44.774 -1.835 1.00 14.28 C ATOM 1458 O GLU B 83 41.833 44.336 -1.927 1.00 12.73 O ATOM 1459 CB GLU B 83 39.469 45.335 -3.921 1.00 14.79 C ATOM 1460 CG GLU B 83 40.820 45.673 -4.603 1.00 15.61 C ATOM 1461 CD GLU B 83 40.699 46.558 -5.853 1.00 18.37 C ATOM 1462 OE1 GLU B 83 39.758 47.375 -5.965 1.00 16.82 O ATOM 1463 OE2 GLU B 83 41.564 46.439 -6.740 1.00 20.48 O ATOM 0 H GLU B 83 37.684 44.570 -2.351 1.00 13.83 H new ATOM 0 HA GLU B 83 39.831 43.444 -3.192 1.00 13.99 H new ATOM 0 HB2 GLU B 83 38.851 44.999 -4.589 1.00 14.79 H new ATOM 0 HB3 GLU B 83 39.083 46.148 -3.560 1.00 14.79 H new ATOM 0 HG2 GLU B 83 41.392 46.119 -3.959 1.00 15.61 H new ATOM 0 HG3 GLU B 83 41.262 44.845 -4.848 1.00 15.61 H new ATOM 1464 N LEU B 84 40.335 45.660 -0.908 1.00 13.03 N ATOM 1465 CA LEU B 84 41.291 46.186 0.056 1.00 16.72 C ATOM 1466 C LEU B 84 41.436 45.312 1.311 1.00 17.99 C ATOM 1467 O LEU B 84 42.037 45.732 2.298 1.00 21.14 O ATOM 1468 CB LEU B 84 40.898 47.613 0.448 1.00 16.64 C ATOM 1469 CG LEU B 84 40.985 48.634 -0.693 1.00 16.33 C ATOM 1470 CD1 LEU B 84 40.414 49.968 -0.224 1.00 20.67 C ATOM 1471 CD2 LEU B 84 42.431 48.808 -1.120 1.00 20.77 C ATOM 0 H LEU B 84 39.537 45.969 -0.822 1.00 13.03 H new ATOM 0 HA LEU B 84 42.158 46.184 -0.379 1.00 16.72 H new ATOM 0 HB2 LEU B 84 39.990 47.604 0.790 1.00 16.64 H new ATOM 0 HB3 LEU B 84 41.471 47.906 1.173 1.00 16.64 H new ATOM 0 HG LEU B 84 40.471 48.315 -1.452 1.00 16.33 H new ATOM 0 HD11 LEU B 84 40.468 50.615 -0.945 1.00 20.67 H new ATOM 0 HD12 LEU B 84 39.487 49.850 0.035 1.00 20.67 H new ATOM 0 HD13 LEU B 84 40.923 50.289 0.537 1.00 20.67 H new ATOM 0 HD21 LEU B 84 42.480 49.454 -1.842 1.00 20.77 H new ATOM 0 HD22 LEU B 84 42.955 49.124 -0.367 1.00 20.77 H new ATOM 0 HD23 LEU B 84 42.783 47.957 -1.424 1.00 20.77 H new ATOM 1472 N GLY B 85 40.864 44.111 1.273 1.00 17.16 N ATOM 1473 CA GLY B 85 40.981 43.169 2.381 1.00 15.79 C ATOM 1474 C GLY B 85 40.422 43.502 3.755 1.00 19.83 C ATOM 1475 O GLY B 85 41.078 43.237 4.762 1.00 22.20 O ATOM 0 H GLY B 85 40.401 43.822 0.609 1.00 17.16 H new ATOM 0 HA2 GLY B 85 40.561 42.342 2.096 1.00 15.79 H new ATOM 0 HA3 GLY B 85 41.926 42.982 2.496 1.00 15.79 H new ATOM 1476 N ILE B 86 39.209 44.043 3.822 1.00 18.38 N ATOM 1477 CA ILE B 86 38.610 44.388 5.116 1.00 17.90 C ATOM 1478 C ILE B 86 38.311 43.151 5.973 1.00 19.43 C ATOM 1479 O ILE B 86 37.930 42.084 5.471 1.00 17.97 O ATOM 1480 CB ILE B 86 37.296 45.185 4.933 1.00 16.29 C ATOM 1481 CG1 ILE B 86 36.799 45.694 6.286 1.00 18.14 C ATOM 1482 CG2 ILE B 86 36.254 44.322 4.255 1.00 18.14 C ATOM 1483 CD1 ILE B 86 37.754 46.676 6.953 1.00 19.15 C ATOM 0 H ILE B 86 38.717 44.218 3.139 1.00 18.38 H new ATOM 0 HA ILE B 86 39.269 44.934 5.574 1.00 17.90 H new ATOM 0 HB ILE B 86 37.464 45.954 4.366 1.00 16.29 H new ATOM 0 HG12 ILE B 86 35.937 46.123 6.166 1.00 18.14 H new ATOM 0 HG13 ILE B 86 36.659 44.937 6.877 1.00 18.14 H new ATOM 0 HG21 ILE B 86 35.435 44.830 4.145 1.00 18.14 H new ATOM 0 HG22 ILE B 86 36.581 44.043 3.385 1.00 18.14 H new ATOM 0 HG23 ILE B 86 36.078 43.539 4.800 1.00 18.14 H new ATOM 0 HD11 ILE B 86 37.384 46.961 7.803 1.00 19.15 H new ATOM 0 HD12 ILE B 86 38.610 46.245 7.102 1.00 19.15 H new ATOM 0 HD13 ILE B 86 37.877 47.449 6.379 1.00 19.15 H new ATOM 1484 N ARG B 87 38.467 43.306 7.277 1.00 18.10 N ATOM 1485 CA ARG B 87 38.233 42.212 8.204 1.00 19.14 C ATOM 1486 C ARG B 87 37.355 42.716 9.372 1.00 17.28 C ATOM 1487 O ARG B 87 36.342 42.112 9.714 1.00 17.05 O ATOM 1488 CB ARG B 87 39.593 41.699 8.678 1.00 23.25 C ATOM 1489 CG ARG B 87 39.566 40.453 9.504 1.00 36.96 C ATOM 1490 CD ARG B 87 40.338 40.692 10.788 1.00 48.35 C ATOM 1491 NE ARG B 87 41.764 40.441 10.657 1.00 57.53 N ATOM 1492 CZ ARG B 87 42.646 40.626 11.637 1.00 63.85 C ATOM 1493 NH1 ARG B 87 42.241 41.067 12.826 1.00 64.86 N ATOM 1494 NH2 ARG B 87 43.941 40.355 11.426 1.00 68.56 N ATOM 0 H ARG B 87 38.710 44.043 7.649 1.00 18.10 H new ATOM 0 HA ARG B 87 37.757 41.479 7.782 1.00 19.14 H new ATOM 0 HB2 ARG B 87 40.149 41.539 7.899 1.00 23.25 H new ATOM 0 HB3 ARG B 87 40.022 42.400 9.194 1.00 23.25 H new ATOM 0 HG2 ARG B 87 38.650 40.205 9.705 1.00 36.96 H new ATOM 0 HG3 ARG B 87 39.958 39.716 9.010 1.00 36.96 H new ATOM 0 HD2 ARG B 87 40.202 41.609 11.074 1.00 48.35 H new ATOM 0 HD3 ARG B 87 39.978 40.122 11.485 1.00 48.35 H new ATOM 0 HE ARG B 87 42.056 40.156 9.900 1.00 57.53 H new ATOM 0 HH11 ARG B 87 41.408 41.233 12.962 1.00 64.86 H new ATOM 0 HH12 ARG B 87 42.812 41.186 13.458 1.00 64.86 H new ATOM 0 HH21 ARG B 87 44.200 40.063 10.660 1.00 68.56 H new ATOM 0 HH22 ARG B 87 44.513 40.473 12.057 1.00 68.56 H new ATOM 1495 N VAL B 88 37.736 43.839 9.965 1.00 13.30 N ATOM 1496 CA VAL B 88 36.976 44.428 11.063 1.00 13.64 C ATOM 1497 C VAL B 88 37.131 45.958 10.920 1.00 14.09 C ATOM 1498 O VAL B 88 38.140 46.434 10.393 1.00 12.27 O ATOM 1499 CB VAL B 88 37.518 43.921 12.434 1.00 16.06 C ATOM 1500 CG1 VAL B 88 39.037 43.962 12.442 1.00 19.44 C ATOM 1501 CG2 VAL B 88 36.980 44.756 13.572 1.00 16.49 C ATOM 0 H VAL B 88 38.440 44.281 9.745 1.00 13.30 H new ATOM 0 HA VAL B 88 36.040 44.175 11.030 1.00 13.64 H new ATOM 0 HB VAL B 88 37.219 43.006 12.556 1.00 16.06 H new ATOM 0 HG11 VAL B 88 39.365 43.645 13.298 1.00 19.44 H new ATOM 0 HG12 VAL B 88 39.380 43.394 11.734 1.00 19.44 H new ATOM 0 HG13 VAL B 88 39.337 44.873 12.299 1.00 19.44 H new ATOM 0 HG21 VAL B 88 37.330 44.422 14.413 1.00 16.49 H new ATOM 0 HG22 VAL B 88 37.252 45.679 13.453 1.00 16.49 H new ATOM 0 HG23 VAL B 88 36.011 44.704 13.582 1.00 16.49 H new ATOM 1502 N VAL B 89 36.125 46.722 11.340 1.00 11.74 N ATOM 1503 CA VAL B 89 36.198 48.189 11.262 1.00 12.69 C ATOM 1504 C VAL B 89 36.356 48.778 12.676 1.00 14.23 C ATOM 1505 O VAL B 89 35.928 48.173 13.661 1.00 14.70 O ATOM 1506 CB VAL B 89 34.934 48.782 10.583 1.00 10.72 C ATOM 1507 CG1 VAL B 89 34.877 48.343 9.121 1.00 10.19 C ATOM 1508 CG2 VAL B 89 33.679 48.314 11.287 1.00 7.99 C ATOM 0 H VAL B 89 35.393 46.417 11.673 1.00 11.74 H new ATOM 0 HA VAL B 89 36.968 48.425 10.722 1.00 12.69 H new ATOM 0 HB VAL B 89 34.986 49.749 10.637 1.00 10.72 H new ATOM 0 HG11 VAL B 89 34.086 48.716 8.702 1.00 10.19 H new ATOM 0 HG12 VAL B 89 35.668 48.659 8.657 1.00 10.19 H new ATOM 0 HG13 VAL B 89 34.841 47.375 9.075 1.00 10.19 H new ATOM 0 HG21 VAL B 89 32.901 48.694 10.849 1.00 7.99 H new ATOM 0 HG22 VAL B 89 33.629 47.346 11.251 1.00 7.99 H new ATOM 0 HG23 VAL B 89 33.701 48.601 12.213 1.00 7.99 H new ATOM 1509 N PRO B 90 37.020 49.944 12.802 1.00 14.33 N ATOM 1510 CA PRO B 90 37.607 50.681 11.682 1.00 12.40 C ATOM 1511 C PRO B 90 38.961 50.125 11.273 1.00 11.04 C ATOM 1512 O PRO B 90 39.694 49.565 12.101 1.00 13.81 O ATOM 1513 CB PRO B 90 37.736 52.105 12.222 1.00 12.43 C ATOM 1514 CG PRO B 90 37.984 51.902 13.704 1.00 14.13 C ATOM 1515 CD PRO B 90 37.201 50.658 14.085 1.00 14.46 C ATOM 0 HA PRO B 90 37.065 50.622 10.880 1.00 12.40 H new ATOM 0 HB2 PRO B 90 38.467 52.582 11.800 1.00 12.43 H new ATOM 0 HB3 PRO B 90 36.931 52.622 12.062 1.00 12.43 H new ATOM 0 HG2 PRO B 90 38.930 51.788 13.887 1.00 14.13 H new ATOM 0 HG3 PRO B 90 37.687 52.671 14.215 1.00 14.13 H new ATOM 0 HD2 PRO B 90 37.685 50.116 14.728 1.00 14.46 H new ATOM 0 HD3 PRO B 90 36.349 50.884 14.489 1.00 14.46 H new ATOM 1516 N THR B 91 39.281 50.248 9.991 1.00 9.09 N ATOM 1517 CA THR B 91 40.598 49.861 9.507 1.00 12.76 C ATOM 1518 C THR B 91 41.129 51.051 8.689 1.00 13.22 C ATOM 1519 O THR B 91 40.364 51.719 7.984 1.00 10.45 O ATOM 1520 CB THR B 91 40.573 48.555 8.644 1.00 12.70 C ATOM 1521 OG1 THR B 91 40.418 47.434 9.525 1.00 17.83 O ATOM 1522 CG2 THR B 91 41.906 48.369 7.861 1.00 8.40 C ATOM 0 H THR B 91 38.751 50.553 9.386 1.00 9.09 H new ATOM 0 HA THR B 91 41.175 49.655 10.259 1.00 12.76 H new ATOM 0 HB THR B 91 39.842 48.619 8.010 1.00 12.70 H new ATOM 0 HG1 THR B 91 39.601 47.306 9.675 1.00 17.83 H new ATOM 0 HG21 THR B 91 41.862 47.554 7.336 1.00 8.40 H new ATOM 0 HG22 THR B 91 42.043 49.126 7.271 1.00 8.40 H new ATOM 0 HG23 THR B 91 42.644 48.310 8.488 1.00 8.40 H new ATOM 1523 N PHE B 92 42.424 51.330 8.830 1.00 10.09 N ATOM 1524 CA PHE B 92 43.052 52.417 8.102 1.00 11.84 C ATOM 1525 C PHE B 92 44.077 51.868 7.158 1.00 11.70 C ATOM 1526 O PHE B 92 44.994 51.147 7.554 1.00 14.31 O ATOM 1527 CB PHE B 92 43.695 53.422 9.061 1.00 11.82 C ATOM 1528 CG PHE B 92 42.732 53.984 10.050 1.00 12.69 C ATOM 1529 CD1 PHE B 92 42.475 53.316 11.252 1.00 13.55 C ATOM 1530 CD2 PHE B 92 42.007 55.137 9.755 1.00 13.05 C ATOM 1531 CE1 PHE B 92 41.502 53.787 12.145 1.00 12.80 C ATOM 1532 CE2 PHE B 92 41.027 55.622 10.643 1.00 10.67 C ATOM 1533 CZ PHE B 92 40.776 54.940 11.842 1.00 13.18 C ATOM 0 H PHE B 92 42.955 50.895 9.348 1.00 10.09 H new ATOM 0 HA PHE B 92 42.369 52.884 7.596 1.00 11.84 H new ATOM 0 HB2 PHE B 92 44.422 52.989 9.535 1.00 11.82 H new ATOM 0 HB3 PHE B 92 44.084 54.148 8.548 1.00 11.82 H new ATOM 0 HD1 PHE B 92 42.956 52.548 11.462 1.00 13.55 H new ATOM 0 HD2 PHE B 92 42.172 55.592 8.961 1.00 13.05 H new ATOM 0 HE1 PHE B 92 41.340 53.331 12.939 1.00 12.80 H new ATOM 0 HE2 PHE B 92 40.548 56.392 10.435 1.00 10.67 H new ATOM 0 HZ PHE B 92 40.129 55.254 12.432 1.00 13.18 H new ATOM 1534 N LYS B 93 43.871 52.170 5.880 1.00 13.68 N ATOM 1535 CA LYS B 93 44.782 51.754 4.826 1.00 14.54 C ATOM 1536 C LYS B 93 45.607 52.970 4.452 1.00 15.57 C ATOM 1537 O LYS B 93 45.082 54.080 4.388 1.00 14.07 O ATOM 1538 CB LYS B 93 44.019 51.283 3.587 1.00 15.04 C ATOM 1539 CG LYS B 93 43.258 50.008 3.789 1.00 20.59 C ATOM 1540 CD LYS B 93 44.172 48.795 3.688 1.00 21.93 C ATOM 1541 CE LYS B 93 43.466 47.563 4.227 1.00 23.10 C ATOM 1542 NZ LYS B 93 44.280 46.362 4.003 1.00 23.91 N ATOM 0 H LYS B 93 43.196 52.624 5.601 1.00 13.68 H new ATOM 0 HA LYS B 93 45.331 51.018 5.139 1.00 14.54 H new ATOM 0 HB2 LYS B 93 43.400 51.979 3.316 1.00 15.04 H new ATOM 0 HB3 LYS B 93 44.647 51.162 2.858 1.00 15.04 H new ATOM 0 HG2 LYS B 93 42.828 50.020 4.659 1.00 20.59 H new ATOM 0 HG3 LYS B 93 42.554 49.941 3.125 1.00 20.59 H new ATOM 0 HD2 LYS B 93 44.429 48.651 2.764 1.00 21.93 H new ATOM 0 HD3 LYS B 93 44.988 48.954 4.188 1.00 21.93 H new ATOM 0 HE2 LYS B 93 43.294 47.671 5.176 1.00 23.10 H new ATOM 0 HE3 LYS B 93 42.605 47.462 3.793 1.00 23.10 H new ATOM 0 HZ1 LYS B 93 44.242 45.839 4.722 1.00 23.91 H new ATOM 0 HZ2 LYS B 93 43.968 45.919 3.297 1.00 23.91 H new ATOM 0 HZ3 LYS B 93 45.125 46.599 3.854 1.00 23.91 H new ATOM 1543 N ILE B 94 46.899 52.756 4.236 1.00 14.54 N ATOM 1544 CA ILE B 94 47.786 53.825 3.819 1.00 16.85 C ATOM 1545 C ILE B 94 48.332 53.394 2.459 1.00 15.99 C ATOM 1546 O ILE B 94 48.782 52.260 2.281 1.00 15.40 O ATOM 1547 CB ILE B 94 48.961 54.059 4.834 1.00 19.77 C ATOM 1548 CG1 ILE B 94 48.422 54.591 6.171 1.00 19.90 C ATOM 1549 CG2 ILE B 94 49.919 55.113 4.283 1.00 19.26 C ATOM 1550 CD1 ILE B 94 48.570 53.634 7.306 1.00 22.55 C ATOM 0 H ILE B 94 47.282 51.991 4.327 1.00 14.54 H new ATOM 0 HA ILE B 94 47.307 54.668 3.777 1.00 16.85 H new ATOM 0 HB ILE B 94 49.412 53.210 4.965 1.00 19.77 H new ATOM 0 HG12 ILE B 94 48.885 55.415 6.391 1.00 19.90 H new ATOM 0 HG13 ILE B 94 47.483 54.812 6.066 1.00 19.90 H new ATOM 0 HG21 ILE B 94 50.643 55.254 4.913 1.00 19.26 H new ATOM 0 HG22 ILE B 94 50.283 54.809 3.437 1.00 19.26 H new ATOM 0 HG23 ILE B 94 49.441 55.946 4.149 1.00 19.26 H new ATOM 0 HD11 ILE B 94 48.211 54.032 8.114 1.00 22.55 H new ATOM 0 HD12 ILE B 94 48.086 52.817 7.106 1.00 22.55 H new ATOM 0 HD13 ILE B 94 49.509 53.429 7.436 1.00 22.55 H new ATOM 1551 N LEU B 95 48.259 54.301 1.497 1.00 12.86 N ATOM 1552 CA LEU B 95 48.723 54.048 0.147 1.00 14.87 C ATOM 1553 C LEU B 95 49.688 55.154 -0.280 1.00 16.70 C ATOM 1554 O LEU B 95 49.650 56.274 0.229 1.00 15.46 O ATOM 1555 CB LEU B 95 47.526 54.005 -0.828 1.00 13.39 C ATOM 1556 CG LEU B 95 46.457 52.912 -0.672 1.00 12.98 C ATOM 1557 CD1 LEU B 95 45.422 53.353 0.336 1.00 14.23 C ATOM 1558 CD2 LEU B 95 45.812 52.616 -2.013 1.00 14.12 C ATOM 0 H LEU B 95 47.935 55.089 1.612 1.00 12.86 H new ATOM 0 HA LEU B 95 49.179 53.192 0.127 1.00 14.87 H new ATOM 0 HB2 LEU B 95 47.075 54.862 -0.771 1.00 13.39 H new ATOM 0 HB3 LEU B 95 47.886 53.933 -1.726 1.00 13.39 H new ATOM 0 HG LEU B 95 46.875 52.098 -0.351 1.00 12.98 H new ATOM 0 HD11 LEU B 95 44.749 52.661 0.432 1.00 14.23 H new ATOM 0 HD12 LEU B 95 45.850 53.509 1.192 1.00 14.23 H new ATOM 0 HD13 LEU B 95 45.002 54.172 0.031 1.00 14.23 H new ATOM 0 HD21 LEU B 95 45.140 51.926 -1.903 1.00 14.12 H new ATOM 0 HD22 LEU B 95 45.395 53.422 -2.356 1.00 14.12 H new ATOM 0 HD23 LEU B 95 46.489 52.311 -2.638 1.00 14.12 H new ATOM 1559 N LYS B 96 50.558 54.828 -1.219 1.00 18.27 N ATOM 1560 CA LYS B 96 51.506 55.789 -1.743 1.00 21.07 C ATOM 1561 C LYS B 96 51.936 55.292 -3.103 1.00 22.50 C ATOM 1562 O LYS B 96 52.306 54.130 -3.252 1.00 21.50 O ATOM 1563 CB LYS B 96 52.716 55.934 -0.826 1.00 23.01 C ATOM 1564 CG LYS B 96 53.500 57.206 -1.111 1.00 26.16 C ATOM 1565 CD LYS B 96 54.377 57.597 0.059 1.00 30.79 C ATOM 1566 CE LYS B 96 55.501 58.503 -0.378 1.00 30.36 C ATOM 1567 NZ LYS B 96 56.396 58.799 0.781 1.00 37.95 N ATOM 0 H LYS B 96 50.615 54.045 -1.570 1.00 18.27 H new ATOM 0 HA LYS B 96 51.093 56.665 -1.804 1.00 21.07 H new ATOM 0 HB2 LYS B 96 52.421 55.937 0.098 1.00 23.01 H new ATOM 0 HB3 LYS B 96 53.298 55.165 -0.936 1.00 23.01 H new ATOM 0 HG2 LYS B 96 54.050 57.077 -1.899 1.00 26.16 H new ATOM 0 HG3 LYS B 96 52.884 57.928 -1.310 1.00 26.16 H new ATOM 0 HD2 LYS B 96 53.841 58.045 0.732 1.00 30.79 H new ATOM 0 HD3 LYS B 96 54.743 56.800 0.472 1.00 30.79 H new ATOM 0 HE2 LYS B 96 56.008 58.082 -1.089 1.00 30.36 H new ATOM 0 HE3 LYS B 96 55.140 59.329 -0.737 1.00 30.36 H new ATOM 0 HZ1 LYS B 96 56.632 59.657 0.763 1.00 37.95 H new ATOM 0 HZ2 LYS B 96 55.965 58.626 1.541 1.00 37.95 H new ATOM 0 HZ3 LYS B 96 57.125 58.290 0.731 1.00 37.95 H new ATOM 1568 N GLU B 97 51.871 56.179 -4.093 1.00 24.95 N ATOM 1569 CA GLU B 97 52.227 55.850 -5.472 1.00 28.62 C ATOM 1570 C GLU B 97 51.427 54.662 -6.009 1.00 28.21 C ATOM 1571 O GLU B 97 52.000 53.755 -6.614 1.00 29.14 O ATOM 1572 CB GLU B 97 53.723 55.544 -5.593 1.00 32.35 C ATOM 1573 CG GLU B 97 54.605 56.415 -4.727 1.00 40.29 C ATOM 1574 CD GLU B 97 55.635 57.189 -5.522 1.00 44.15 C ATOM 1575 OE1 GLU B 97 55.391 57.449 -6.718 1.00 48.47 O ATOM 1576 OE2 GLU B 97 56.688 57.542 -4.947 1.00 46.58 O ATOM 0 H GLU B 97 51.618 56.993 -3.983 1.00 24.95 H new ATOM 0 HA GLU B 97 52.009 56.630 -6.005 1.00 28.62 H new ATOM 0 HB2 GLU B 97 53.873 54.615 -5.359 1.00 32.35 H new ATOM 0 HB3 GLU B 97 53.991 55.650 -6.519 1.00 32.35 H new ATOM 0 HG2 GLU B 97 54.050 57.038 -4.233 1.00 40.29 H new ATOM 0 HG3 GLU B 97 55.058 55.859 -4.074 1.00 40.29 H new ATOM 1577 N ASN B 98 50.117 54.668 -5.760 1.00 25.94 N ATOM 1578 CA ASN B 98 49.200 53.628 -6.224 1.00 28.35 C ATOM 1579 C ASN B 98 49.401 52.245 -5.622 1.00 28.47 C ATOM 1580 O ASN B 98 48.888 51.259 -6.149 1.00 31.23 O ATOM 1581 CB ASN B 98 49.253 53.516 -7.751 1.00 30.38 C ATOM 1582 CG ASN B 98 49.064 54.848 -8.430 1.00 34.98 C ATOM 1583 OD1 ASN B 98 48.163 55.611 -8.083 1.00 37.38 O ATOM 1584 ND2 ASN B 98 49.919 55.147 -9.399 1.00 36.64 N ATOM 0 H ASN B 98 49.730 55.289 -5.308 1.00 25.94 H new ATOM 0 HA ASN B 98 48.330 53.925 -5.913 1.00 28.35 H new ATOM 0 HB2 ASN B 98 50.106 53.139 -8.016 1.00 30.38 H new ATOM 0 HB3 ASN B 98 48.565 52.902 -8.052 1.00 30.38 H new ATOM 0 HD21 ASN B 98 49.856 55.899 -9.811 1.00 36.64 H new ATOM 0 HD22 ASN B 98 50.537 54.589 -9.615 1.00 36.64 H new ATOM 1585 N SER B 99 50.136 52.168 -4.522 1.00 27.00 N ATOM 1586 CA SER B 99 50.379 50.890 -3.867 1.00 25.20 C ATOM 1587 C SER B 99 49.986 50.959 -2.409 1.00 23.71 C ATOM 1588 O SER B 99 50.144 52.000 -1.764 1.00 19.76 O ATOM 1589 CB SER B 99 51.856 50.516 -3.951 1.00 24.63 C ATOM 1590 OG SER B 99 52.276 50.493 -5.298 1.00 29.32 O ATOM 0 H SER B 99 50.504 52.844 -4.138 1.00 27.00 H new ATOM 0 HA SER B 99 49.844 50.220 -4.321 1.00 25.20 H new ATOM 0 HB2 SER B 99 52.387 51.155 -3.450 1.00 24.63 H new ATOM 0 HB3 SER B 99 52.000 49.647 -3.545 1.00 24.63 H new ATOM 0 HG SER B 99 53.090 50.288 -5.335 1.00 29.32 H new ATOM 1591 N VAL B 100 49.458 49.851 -1.891 1.00 22.77 N ATOM 1592 CA VAL B 100 49.107 49.791 -0.482 1.00 21.40 C ATOM 1593 C VAL B 100 50.431 49.516 0.218 1.00 21.01 C ATOM 1594 O VAL B 100 51.095 48.522 -0.062 1.00 19.58 O ATOM 1595 CB VAL B 100 48.109 48.651 -0.178 1.00 24.10 C ATOM 1596 CG1 VAL B 100 47.809 48.607 1.320 1.00 24.03 C ATOM 1597 CG2 VAL B 100 46.828 48.861 -0.955 1.00 22.17 C ATOM 0 H VAL B 100 49.298 49.133 -2.336 1.00 22.77 H new ATOM 0 HA VAL B 100 48.674 50.608 -0.190 1.00 21.40 H new ATOM 0 HB VAL B 100 48.504 47.807 -0.447 1.00 24.10 H new ATOM 0 HG11 VAL B 100 47.182 47.890 1.504 1.00 24.03 H new ATOM 0 HG12 VAL B 100 48.631 48.451 1.810 1.00 24.03 H new ATOM 0 HG13 VAL B 100 47.423 49.452 1.598 1.00 24.03 H new ATOM 0 HG21 VAL B 100 46.208 48.141 -0.758 1.00 22.17 H new ATOM 0 HG22 VAL B 100 46.430 49.708 -0.701 1.00 22.17 H new ATOM 0 HG23 VAL B 100 47.023 48.868 -1.905 1.00 22.17 H new ATOM 1598 N VAL B 101 50.824 50.415 1.111 1.00 21.15 N ATOM 1599 CA VAL B 101 52.080 50.267 1.816 1.00 22.75 C ATOM 1600 C VAL B 101 51.912 49.959 3.288 1.00 23.75 C ATOM 1601 O VAL B 101 52.858 49.504 3.939 1.00 27.58 O ATOM 1602 CB VAL B 101 52.970 51.542 1.677 1.00 21.36 C ATOM 1603 CG1 VAL B 101 53.341 51.765 0.228 1.00 21.17 C ATOM 1604 CG2 VAL B 101 52.255 52.750 2.217 1.00 24.57 C ATOM 0 H VAL B 101 50.375 51.118 1.321 1.00 21.15 H new ATOM 0 HA VAL B 101 52.513 49.508 1.395 1.00 22.75 H new ATOM 0 HB VAL B 101 53.780 51.406 2.193 1.00 21.36 H new ATOM 0 HG11 VAL B 101 53.893 52.559 0.154 1.00 21.17 H new ATOM 0 HG12 VAL B 101 53.833 50.997 -0.102 1.00 21.17 H new ATOM 0 HG13 VAL B 101 52.535 51.882 -0.298 1.00 21.17 H new ATOM 0 HG21 VAL B 101 52.822 53.531 2.122 1.00 24.57 H new ATOM 0 HG22 VAL B 101 51.432 52.887 1.723 1.00 24.57 H new ATOM 0 HG23 VAL B 101 52.049 52.612 3.155 1.00 24.57 H new ATOM 1605 N GLY B 102 50.724 50.193 3.829 1.00 22.05 N ATOM 1606 CA GLY B 102 50.536 49.916 5.243 1.00 21.00 C ATOM 1607 C GLY B 102 49.101 49.834 5.709 1.00 20.35 C ATOM 1608 O GLY B 102 48.163 50.088 4.942 1.00 19.75 O ATOM 0 H GLY B 102 50.037 50.501 3.413 1.00 22.05 H new ATOM 0 HA2 GLY B 102 50.975 49.077 5.453 1.00 21.00 H new ATOM 0 HA3 GLY B 102 50.986 50.607 5.754 1.00 21.00 H new ATOM 1609 N GLU B 103 48.914 49.477 6.971 1.00 18.40 N ATOM 1610 CA GLU B 103 47.567 49.373 7.492 1.00 19.18 C ATOM 1611 C GLU B 103 47.521 49.285 8.996 1.00 15.77 C ATOM 1612 O GLU B 103 48.424 48.755 9.619 1.00 15.80 O ATOM 1613 CB GLU B 103 46.860 48.164 6.875 1.00 23.67 C ATOM 1614 CG GLU B 103 46.817 46.940 7.765 1.00 33.72 C ATOM 1615 CD GLU B 103 46.137 45.767 7.091 1.00 39.54 C ATOM 1616 OE1 GLU B 103 44.884 45.741 7.062 1.00 41.31 O ATOM 1617 OE2 GLU B 103 46.860 44.877 6.588 1.00 43.10 O ATOM 0 H GLU B 103 49.541 49.294 7.530 1.00 18.40 H new ATOM 0 HA GLU B 103 47.106 50.190 7.245 1.00 19.18 H new ATOM 0 HB2 GLU B 103 45.952 48.416 6.647 1.00 23.67 H new ATOM 0 HB3 GLU B 103 47.306 47.931 6.046 1.00 23.67 H new ATOM 0 HG2 GLU B 103 47.721 46.690 8.012 1.00 33.72 H new ATOM 0 HG3 GLU B 103 46.348 47.155 8.586 1.00 33.72 H new ATOM 1618 N VAL B 104 46.450 49.809 9.569 1.00 12.17 N ATOM 1619 CA VAL B 104 46.260 49.788 11.001 1.00 13.34 C ATOM 1620 C VAL B 104 44.862 49.271 11.190 1.00 18.20 C ATOM 1621 O VAL B 104 43.902 49.844 10.673 1.00 15.73 O ATOM 1622 CB VAL B 104 46.364 51.197 11.598 1.00 14.23 C ATOM 1623 CG1 VAL B 104 45.878 51.198 13.038 1.00 14.71 C ATOM 1624 CG2 VAL B 104 47.795 51.666 11.501 1.00 14.44 C ATOM 0 H VAL B 104 45.812 50.188 9.134 1.00 12.17 H new ATOM 0 HA VAL B 104 46.934 49.245 11.440 1.00 13.34 H new ATOM 0 HB VAL B 104 45.799 51.809 11.100 1.00 14.23 H new ATOM 0 HG11 VAL B 104 45.949 52.094 13.403 1.00 14.71 H new ATOM 0 HG12 VAL B 104 44.952 50.910 13.068 1.00 14.71 H new ATOM 0 HG13 VAL B 104 46.422 50.591 13.564 1.00 14.71 H new ATOM 0 HG21 VAL B 104 47.870 52.557 11.877 1.00 14.44 H new ATOM 0 HG22 VAL B 104 48.369 51.059 11.994 1.00 14.44 H new ATOM 0 HG23 VAL B 104 48.067 51.684 10.570 1.00 14.44 H new ATOM 1625 N THR B 105 44.735 48.172 11.916 1.00 18.21 N ATOM 1626 CA THR B 105 43.423 47.587 12.139 1.00 20.30 C ATOM 1627 C THR B 105 42.957 47.975 13.536 1.00 20.61 C ATOM 1628 O THR B 105 43.694 47.830 14.512 1.00 22.67 O ATOM 1629 CB THR B 105 43.484 46.044 11.993 1.00 21.86 C ATOM 1630 OG1 THR B 105 44.027 45.704 10.708 1.00 19.96 O ATOM 1631 CG2 THR B 105 42.099 45.441 12.118 1.00 25.94 C ATOM 0 H THR B 105 45.388 47.752 12.286 1.00 18.21 H new ATOM 0 HA THR B 105 42.796 47.920 11.478 1.00 20.30 H new ATOM 0 HB THR B 105 44.048 45.690 12.698 1.00 21.86 H new ATOM 0 HG1 THR B 105 44.061 44.868 10.630 1.00 19.96 H new ATOM 0 HG21 THR B 105 42.156 44.477 12.024 1.00 25.94 H new ATOM 0 HG22 THR B 105 41.728 45.660 12.987 1.00 25.94 H new ATOM 0 HG23 THR B 105 41.526 45.800 11.423 1.00 25.94 H new ATOM 1632 N GLY B 106 41.743 48.506 13.615 1.00 19.56 N ATOM 1633 CA GLY B 106 41.186 48.911 14.889 1.00 18.22 C ATOM 1634 C GLY B 106 41.427 50.369 15.215 1.00 17.90 C ATOM 1635 O GLY B 106 42.240 51.045 14.573 1.00 19.11 O ATOM 0 H GLY B 106 41.228 48.639 12.939 1.00 19.56 H new ATOM 0 HA2 GLY B 106 40.231 48.741 14.885 1.00 18.22 H new ATOM 0 HA3 GLY B 106 41.569 48.362 15.591 1.00 18.22 H new ATOM 1636 N ALA B 107 40.711 50.856 16.217 1.00 19.03 N ATOM 1637 CA ALA B 107 40.849 52.234 16.641 1.00 18.87 C ATOM 1638 C ALA B 107 42.140 52.416 17.447 1.00 20.55 C ATOM 1639 O ALA B 107 42.101 52.654 18.648 1.00 23.35 O ATOM 1640 CB ALA B 107 39.654 52.620 17.468 1.00 19.58 C ATOM 0 H ALA B 107 40.137 50.400 16.666 1.00 19.03 H new ATOM 0 HA ALA B 107 40.897 52.808 15.861 1.00 18.87 H new ATOM 0 HB1 ALA B 107 39.743 53.543 17.754 1.00 19.58 H new ATOM 0 HB2 ALA B 107 38.848 52.522 16.937 1.00 19.58 H new ATOM 0 HB3 ALA B 107 39.600 52.044 18.247 1.00 19.58 H new ATOM 1641 N LYS B 108 43.283 52.299 16.773 1.00 23.56 N ATOM 1642 CA LYS B 108 44.607 52.439 17.395 1.00 23.55 C ATOM 1643 C LYS B 108 45.198 53.782 16.948 1.00 25.70 C ATOM 1644 O LYS B 108 45.963 53.845 15.968 1.00 25.56 O ATOM 1645 CB LYS B 108 45.535 51.303 16.934 1.00 24.44 C ATOM 1646 CG LYS B 108 45.216 49.912 17.504 1.00 30.56 C ATOM 1647 CD LYS B 108 46.237 48.879 17.014 1.00 35.26 C ATOM 1648 CE LYS B 108 45.631 47.484 16.870 1.00 39.79 C ATOM 1649 NZ LYS B 108 45.476 46.791 18.182 1.00 40.47 N ATOM 0 H LYS B 108 43.315 52.134 15.930 1.00 23.56 H new ATOM 0 HA LYS B 108 44.523 52.400 18.361 1.00 23.55 H new ATOM 0 HB2 LYS B 108 45.503 51.253 15.966 1.00 24.44 H new ATOM 0 HB3 LYS B 108 46.446 51.533 17.176 1.00 24.44 H new ATOM 0 HG2 LYS B 108 45.222 49.945 18.473 1.00 30.56 H new ATOM 0 HG3 LYS B 108 44.323 49.644 17.235 1.00 30.56 H new ATOM 0 HD2 LYS B 108 46.596 49.163 16.159 1.00 35.26 H new ATOM 0 HD3 LYS B 108 46.981 48.843 17.636 1.00 35.26 H new ATOM 0 HE2 LYS B 108 44.764 47.554 16.440 1.00 39.79 H new ATOM 0 HE3 LYS B 108 46.194 46.948 16.289 1.00 39.79 H new ATOM 0 HZ1 LYS B 108 45.121 45.985 18.052 1.00 40.47 H new ATOM 0 HZ2 LYS B 108 46.273 46.705 18.569 1.00 40.47 H new ATOM 0 HZ3 LYS B 108 44.941 47.269 18.709 1.00 40.47 H new ATOM 1650 N TYR B 109 44.850 54.850 17.666 1.00 26.04 N ATOM 1651 CA TYR B 109 45.314 56.186 17.304 1.00 24.58 C ATOM 1652 C TYR B 109 46.832 56.329 17.198 1.00 23.10 C ATOM 1653 O TYR B 109 47.333 56.875 16.212 1.00 23.87 O ATOM 1654 CB TYR B 109 44.741 57.219 18.273 1.00 24.35 C ATOM 1655 CG TYR B 109 44.964 58.642 17.821 1.00 27.69 C ATOM 1656 CD1 TYR B 109 44.080 59.259 16.938 1.00 26.90 C ATOM 1657 CD2 TYR B 109 46.091 59.364 18.244 1.00 29.23 C ATOM 1658 CE1 TYR B 109 44.309 60.556 16.476 1.00 26.57 C ATOM 1659 CE2 TYR B 109 46.331 60.666 17.788 1.00 30.32 C ATOM 1660 CZ TYR B 109 45.432 61.254 16.902 1.00 28.26 C ATOM 1661 OH TYR B 109 45.664 62.530 16.435 1.00 27.24 O ATOM 0 H TYR B 109 44.348 54.821 18.364 1.00 26.04 H new ATOM 0 HA TYR B 109 44.982 56.347 16.407 1.00 24.58 H new ATOM 0 HB2 TYR B 109 43.789 57.064 18.377 1.00 24.35 H new ATOM 0 HB3 TYR B 109 45.146 57.095 19.146 1.00 24.35 H new ATOM 0 HD1 TYR B 109 43.324 58.799 16.652 1.00 26.90 H new ATOM 0 HD2 TYR B 109 46.689 58.971 18.838 1.00 29.23 H new ATOM 0 HE1 TYR B 109 43.711 60.952 15.884 1.00 26.57 H new ATOM 0 HE2 TYR B 109 47.083 61.133 18.074 1.00 30.32 H new ATOM 0 HH TYR B 109 46.372 62.828 16.774 1.00 27.24 H new ATOM 1662 N ASP B 110 47.566 55.829 18.188 1.00 23.43 N ATOM 1663 CA ASP B 110 49.026 55.924 18.168 1.00 21.59 C ATOM 1664 C ASP B 110 49.630 55.258 16.952 1.00 20.63 C ATOM 1665 O ASP B 110 50.503 55.813 16.293 1.00 18.73 O ATOM 1666 CB ASP B 110 49.618 55.293 19.425 1.00 26.40 C ATOM 1667 CG ASP B 110 49.853 56.302 20.504 1.00 33.32 C ATOM 1668 OD1 ASP B 110 49.452 57.466 20.291 1.00 38.37 O ATOM 1669 OD2 ASP B 110 50.430 55.942 21.556 1.00 35.17 O ATOM 0 H ASP B 110 47.241 55.432 18.878 1.00 23.43 H new ATOM 0 HA ASP B 110 49.242 56.869 18.134 1.00 21.59 H new ATOM 0 HB2 ASP B 110 49.019 54.604 19.753 1.00 26.40 H new ATOM 0 HB3 ASP B 110 50.456 54.858 19.203 1.00 26.40 H new ATOM 1670 N LYS B 111 49.164 54.053 16.657 1.00 21.34 N ATOM 1671 CA LYS B 111 49.676 53.306 15.516 1.00 22.09 C ATOM 1672 C LYS B 111 49.361 54.031 14.209 1.00 17.87 C ATOM 1673 O LYS B 111 50.160 54.029 13.287 1.00 18.12 O ATOM 1674 CB LYS B 111 49.053 51.909 15.502 1.00 20.86 C ATOM 1675 CG LYS B 111 49.293 51.138 16.763 1.00 21.49 C ATOM 1676 CD LYS B 111 50.759 50.916 16.950 1.00 24.73 C ATOM 1677 CE LYS B 111 51.073 50.562 18.397 1.00 33.06 C ATOM 1678 NZ LYS B 111 52.524 50.263 18.561 1.00 36.98 N ATOM 0 H LYS B 111 48.551 53.649 17.105 1.00 21.34 H new ATOM 0 HA LYS B 111 50.640 53.232 15.597 1.00 22.09 H new ATOM 0 HB2 LYS B 111 48.097 51.990 15.357 1.00 20.86 H new ATOM 0 HB3 LYS B 111 49.412 51.409 14.752 1.00 20.86 H new ATOM 0 HG2 LYS B 111 48.931 51.622 17.522 1.00 21.49 H new ATOM 0 HG3 LYS B 111 48.831 50.286 16.724 1.00 21.49 H new ATOM 0 HD2 LYS B 111 51.059 50.202 16.366 1.00 24.73 H new ATOM 0 HD3 LYS B 111 51.246 51.715 16.695 1.00 24.73 H new ATOM 0 HE2 LYS B 111 50.822 51.298 18.977 1.00 33.06 H new ATOM 0 HE3 LYS B 111 50.547 49.794 18.669 1.00 33.06 H new ATOM 0 HZ1 LYS B 111 52.691 50.058 19.411 1.00 36.98 H new ATOM 0 HZ2 LYS B 111 52.746 49.575 18.041 1.00 36.98 H new ATOM 0 HZ3 LYS B 111 53.002 50.977 18.329 1.00 36.98 H new ATOM 1679 N LEU B 112 48.172 54.627 14.145 1.00 21.05 N ATOM 1680 CA LEU B 112 47.735 55.363 12.968 1.00 19.24 C ATOM 1681 C LEU B 112 48.661 56.564 12.738 1.00 22.13 C ATOM 1682 O LEU B 112 49.200 56.737 11.646 1.00 22.44 O ATOM 1683 CB LEU B 112 46.274 55.815 13.144 1.00 16.70 C ATOM 1684 CG LEU B 112 45.718 56.778 12.083 1.00 17.01 C ATOM 1685 CD1 LEU B 112 45.876 56.177 10.710 1.00 17.56 C ATOM 1686 CD2 LEU B 112 44.258 57.078 12.354 1.00 19.06 C ATOM 0 H LEU B 112 47.598 54.614 14.785 1.00 21.05 H new ATOM 0 HA LEU B 112 47.780 54.787 12.189 1.00 19.24 H new ATOM 0 HB2 LEU B 112 45.712 55.024 13.160 1.00 16.70 H new ATOM 0 HB3 LEU B 112 46.191 56.240 14.012 1.00 16.70 H new ATOM 0 HG LEU B 112 46.217 57.609 12.125 1.00 17.01 H new ATOM 0 HD11 LEU B 112 45.523 56.790 10.046 1.00 17.56 H new ATOM 0 HD12 LEU B 112 46.816 56.016 10.533 1.00 17.56 H new ATOM 0 HD13 LEU B 112 45.391 55.338 10.666 1.00 17.56 H new ATOM 0 HD21 LEU B 112 43.921 57.686 11.677 1.00 19.06 H new ATOM 0 HD22 LEU B 112 43.748 56.253 12.330 1.00 19.06 H new ATOM 0 HD23 LEU B 112 44.168 57.487 13.229 1.00 19.06 H new ATOM 1687 N LEU B 113 48.850 57.379 13.777 1.00 25.18 N ATOM 1688 CA LEU B 113 49.723 58.546 13.694 1.00 26.89 C ATOM 1689 C LEU B 113 51.100 58.101 13.258 1.00 25.20 C ATOM 1690 O LEU B 113 51.682 58.646 12.328 1.00 26.76 O ATOM 1691 CB LEU B 113 49.823 59.225 15.056 1.00 32.29 C ATOM 1692 CG LEU B 113 49.299 60.662 15.179 1.00 36.79 C ATOM 1693 CD1 LEU B 113 49.670 61.190 16.566 1.00 40.20 C ATOM 1694 CD2 LEU B 113 49.896 61.554 14.080 1.00 36.35 C ATOM 0 H LEU B 113 48.477 57.270 14.544 1.00 25.18 H new ATOM 0 HA LEU B 113 49.356 59.175 13.053 1.00 26.89 H new ATOM 0 HB2 LEU B 113 49.345 58.677 15.698 1.00 32.29 H new ATOM 0 HB3 LEU B 113 50.756 59.224 15.322 1.00 32.29 H new ATOM 0 HG LEU B 113 48.335 60.673 15.069 1.00 36.79 H new ATOM 0 HD11 LEU B 113 49.347 62.099 16.663 1.00 40.20 H new ATOM 0 HD12 LEU B 113 49.265 60.629 17.245 1.00 40.20 H new ATOM 0 HD13 LEU B 113 50.634 61.177 16.670 1.00 40.20 H new ATOM 0 HD21 LEU B 113 49.554 62.457 14.174 1.00 36.35 H new ATOM 0 HD22 LEU B 113 50.863 61.565 14.161 1.00 36.35 H new ATOM 0 HD23 LEU B 113 49.649 61.204 13.210 1.00 36.35 H new ATOM 1695 N GLU B 114 51.608 57.089 13.948 1.00 27.08 N ATOM 1696 CA GLU B 114 52.916 56.503 13.673 1.00 25.48 C ATOM 1697 C GLU B 114 53.021 56.068 12.212 1.00 24.42 C ATOM 1698 O GLU B 114 54.051 56.297 11.568 1.00 22.79 O ATOM 1699 CB GLU B 114 53.107 55.300 14.589 1.00 31.18 C ATOM 1700 CG GLU B 114 54.492 55.034 15.093 1.00 36.73 C ATOM 1701 CD GLU B 114 54.513 53.790 15.971 1.00 42.88 C ATOM 1702 OE1 GLU B 114 53.845 53.804 17.040 1.00 42.61 O ATOM 1703 OE2 GLU B 114 55.183 52.798 15.587 1.00 45.13 O ATOM 0 H GLU B 114 51.195 56.715 14.603 1.00 27.08 H new ATOM 0 HA GLU B 114 53.606 57.164 13.837 1.00 25.48 H new ATOM 0 HB2 GLU B 114 52.524 55.412 15.357 1.00 31.18 H new ATOM 0 HB3 GLU B 114 52.803 54.510 14.115 1.00 31.18 H new ATOM 0 HG2 GLU B 114 55.097 54.918 14.344 1.00 36.73 H new ATOM 0 HG3 GLU B 114 54.810 55.798 15.599 1.00 36.73 H new ATOM 1704 N ALA B 115 51.959 55.444 11.688 1.00 22.01 N ATOM 1705 CA ALA B 115 51.949 54.980 10.298 1.00 20.15 C ATOM 1706 C ALA B 115 51.923 56.144 9.307 1.00 19.22 C ATOM 1707 O ALA B 115 52.520 56.058 8.243 1.00 18.65 O ATOM 1708 CB ALA B 115 50.760 54.060 10.048 1.00 19.59 C ATOM 0 H ALA B 115 51.235 55.281 12.123 1.00 22.01 H new ATOM 0 HA ALA B 115 52.772 54.486 10.156 1.00 20.15 H new ATOM 0 HB1 ALA B 115 50.769 53.763 9.125 1.00 19.59 H new ATOM 0 HB2 ALA B 115 50.817 53.290 10.636 1.00 19.59 H new ATOM 0 HB3 ALA B 115 49.936 54.541 10.224 1.00 19.59 H new ATOM 1709 N ILE B 116 51.238 57.228 9.656 1.00 20.24 N ATOM 1710 CA ILE B 116 51.189 58.387 8.767 1.00 21.72 C ATOM 1711 C ILE B 116 52.597 59.032 8.677 1.00 23.49 C ATOM 1712 O ILE B 116 53.066 59.370 7.584 1.00 22.04 O ATOM 1713 CB ILE B 116 50.103 59.427 9.252 1.00 22.45 C ATOM 1714 CG1 ILE B 116 48.685 58.832 9.096 1.00 20.97 C ATOM 1715 CG2 ILE B 116 50.178 60.704 8.425 1.00 22.11 C ATOM 1716 CD1 ILE B 116 47.582 59.505 9.941 1.00 20.87 C ATOM 0 H ILE B 116 50.800 57.314 10.391 1.00 20.24 H new ATOM 0 HA ILE B 116 50.926 58.096 7.880 1.00 21.72 H new ATOM 0 HB ILE B 116 50.280 59.628 10.184 1.00 22.45 H new ATOM 0 HG12 ILE B 116 48.431 58.884 8.161 1.00 20.97 H new ATOM 0 HG13 ILE B 116 48.719 57.891 9.329 1.00 20.97 H new ATOM 0 HG21 ILE B 116 49.506 61.331 8.735 1.00 22.11 H new ATOM 0 HG22 ILE B 116 51.058 61.101 8.521 1.00 22.11 H new ATOM 0 HG23 ILE B 116 50.018 60.495 7.491 1.00 22.11 H new ATOM 0 HD11 ILE B 116 46.734 59.065 9.776 1.00 20.87 H new ATOM 0 HD12 ILE B 116 47.806 59.433 10.882 1.00 20.87 H new ATOM 0 HD13 ILE B 116 47.513 60.441 9.697 1.00 20.87 H new ATOM 1717 N GLN B 117 53.281 59.181 9.811 1.00 27.09 N ATOM 1718 CA GLN B 117 54.632 59.762 9.804 1.00 31.84 C ATOM 1719 C GLN B 117 55.557 58.887 8.980 1.00 32.27 C ATOM 1720 O GLN B 117 56.381 59.387 8.224 1.00 34.36 O ATOM 1721 CB GLN B 117 55.196 59.885 11.221 1.00 34.63 C ATOM 1722 CG GLN B 117 54.246 60.509 12.241 1.00 40.59 C ATOM 1723 CD GLN B 117 53.937 61.979 11.975 1.00 45.11 C ATOM 1724 OE1 GLN B 117 54.407 62.566 10.993 1.00 47.12 O ATOM 1725 NE2 GLN B 117 53.137 62.581 12.855 1.00 46.70 N ATOM 0 H GLN B 117 52.989 58.956 10.588 1.00 27.09 H new ATOM 0 HA GLN B 117 54.572 60.650 9.418 1.00 31.84 H new ATOM 0 HB2 GLN B 117 55.448 59.002 11.532 1.00 34.63 H new ATOM 0 HB3 GLN B 117 56.007 60.416 11.187 1.00 34.63 H new ATOM 0 HG2 GLN B 117 53.415 60.008 12.246 1.00 40.59 H new ATOM 0 HG3 GLN B 117 54.634 60.424 13.126 1.00 40.59 H new ATOM 0 HE21 GLN B 117 52.828 62.141 13.527 1.00 46.70 H new ATOM 0 HE22 GLN B 117 52.929 63.409 12.751 1.00 46.70 H new ATOM 1726 N ALA B 118 55.412 57.576 9.128 1.00 32.07 N ATOM 1727 CA ALA B 118 56.220 56.626 8.378 1.00 32.56 C ATOM 1728 C ALA B 118 56.030 56.803 6.871 1.00 33.13 C ATOM 1729 O ALA B 118 56.999 56.752 6.106 1.00 35.71 O ATOM 1730 CB ALA B 118 55.863 55.210 8.787 1.00 33.08 C ATOM 0 H ALA B 118 54.845 57.214 9.664 1.00 32.07 H new ATOM 0 HA ALA B 118 57.153 56.794 8.582 1.00 32.56 H new ATOM 0 HB1 ALA B 118 56.404 54.582 8.284 1.00 33.08 H new ATOM 0 HB2 ALA B 118 56.031 55.095 9.735 1.00 33.08 H new ATOM 0 HB3 ALA B 118 54.925 55.047 8.604 1.00 33.08 H new ATOM 1731 N ALA B 119 54.789 57.007 6.438 1.00 30.24 N ATOM 1732 CA ALA B 119 54.506 57.206 5.016 1.00 30.06 C ATOM 1733 C ALA B 119 55.050 58.540 4.478 1.00 28.34 C ATOM 1734 O ALA B 119 55.422 58.660 3.302 1.00 27.19 O ATOM 1735 CB ALA B 119 53.001 57.131 4.781 1.00 31.01 C ATOM 0 H ALA B 119 54.097 57.034 6.948 1.00 30.24 H new ATOM 0 HA ALA B 119 54.961 56.500 4.532 1.00 30.06 H new ATOM 0 HB1 ALA B 119 52.813 57.263 3.838 1.00 31.01 H new ATOM 0 HB2 ALA B 119 52.673 56.261 5.057 1.00 31.01 H new ATOM 0 HB3 ALA B 119 52.558 57.822 5.298 1.00 31.01 H new ATOM 1736 N ARG B 120 55.077 59.545 5.348 1.00 31.97 N ATOM 1737 CA ARG B 120 55.559 60.876 4.991 1.00 38.27 C ATOM 1738 C ARG B 120 57.064 60.967 4.712 1.00 41.95 C ATOM 1739 O ARG B 120 57.464 61.489 3.680 1.00 43.84 O ATOM 1740 CB ARG B 120 55.194 61.871 6.096 1.00 36.84 C ATOM 1741 CG ARG B 120 53.710 61.955 6.404 1.00 40.82 C ATOM 1742 CD ARG B 120 53.282 63.388 6.668 1.00 42.49 C ATOM 1743 NE ARG B 120 53.854 63.918 7.902 1.00 44.02 N ATOM 1744 CZ ARG B 120 54.491 65.082 7.987 1.00 45.62 C ATOM 1745 NH1 ARG B 120 54.636 65.835 6.906 1.00 44.82 N ATOM 1746 NH2 ARG B 120 54.985 65.496 9.149 1.00 44.82 N ATOM 0 H ARG B 120 54.816 59.474 6.164 1.00 31.97 H new ATOM 0 HA ARG B 120 55.118 61.092 4.154 1.00 38.27 H new ATOM 0 HB2 ARG B 120 55.667 61.625 6.906 1.00 36.84 H new ATOM 0 HB3 ARG B 120 55.510 62.752 5.840 1.00 36.84 H new ATOM 0 HG2 ARG B 120 53.202 61.595 5.660 1.00 40.82 H new ATOM 0 HG3 ARG B 120 53.506 61.407 7.178 1.00 40.82 H new ATOM 0 HD2 ARG B 120 53.552 63.947 5.923 1.00 42.49 H new ATOM 0 HD3 ARG B 120 52.314 63.430 6.718 1.00 42.49 H new ATOM 0 HE ARG B 120 53.774 63.448 8.618 1.00 44.02 H new ATOM 0 HH11 ARG B 120 54.318 65.570 6.152 1.00 44.82 H new ATOM 0 HH12 ARG B 120 55.048 66.588 6.959 1.00 44.82 H new ATOM 0 HH21 ARG B 120 54.894 65.010 9.853 1.00 44.82 H new ATOM 0 HH22 ARG B 120 55.396 66.250 9.197 1.00 44.82 H new ATOM 1747 N SER B 121 57.878 60.440 5.624 1.00 46.44 N ATOM 1748 CA SER B 121 59.344 60.471 5.521 1.00 51.39 C ATOM 1749 C SER B 121 59.994 59.443 4.575 1.00 54.53 C ATOM 1750 O SER B 121 59.467 58.310 4.440 1.00 58.16 O ATOM 1751 CB SER B 121 59.923 60.287 6.912 1.00 51.02 C ATOM 1752 OG SER B 121 58.937 59.793 7.792 1.00 54.50 O ATOM 1753 OXT SER B 121 61.032 59.787 3.959 1.00 58.44 O ATOM 0 H SER B 121 57.593 60.047 6.334 1.00 46.44 H new ATOM 0 HA SER B 121 59.550 61.332 5.125 1.00 51.39 H new ATOM 0 HB2 SER B 121 60.673 59.672 6.878 1.00 51.02 H new ATOM 0 HB3 SER B 121 60.265 61.133 7.241 1.00 51.02 H new ATOM 0 HG SER B 121 59.268 59.694 8.557 1.00 54.50 H new TER 1754 SER B 121 HETATM 1755 O HOH A 122 19.937 39.468 7.941 1.00 16.29 O HETATM 1756 O HOH A 123 16.598 29.161 18.544 1.00 13.29 O HETATM 1757 O HOH A 124 16.148 29.996 15.523 1.00 11.07 O HETATM 1758 O HOH A 125 16.823 27.787 20.801 1.00 15.74 O HETATM 1759 O HOH A 126 26.359 44.789 7.482 1.00 14.26 O HETATM 1760 O HOH A 127 30.378 47.603 12.872 1.00 17.00 O HETATM 1761 O HOH A 128 9.333 41.298 8.961 1.00 19.05 O HETATM 1762 O HOH A 129 30.495 48.604 17.356 1.00 18.14 O HETATM 1763 O HOH A 130 15.359 35.203 6.377 1.00 19.33 O HETATM 1764 O HOH A 131 26.731 45.244 4.556 1.00 25.73 O HETATM 1765 O HOH A 132 25.229 47.454 4.114 1.00 13.74 O HETATM 1766 O HOH A 133 13.083 39.330 1.416 1.00 29.60 O HETATM 1767 O HOH A 134 16.940 31.960 7.267 1.00 22.69 O HETATM 1768 O HOH A 135 30.993 40.698 27.827 1.00 25.73 O HETATM 1769 O HOH A 136 31.722 47.672 15.217 1.00 22.33 O HETATM 1770 O HOH A 137 19.811 51.225 21.214 1.00 25.34 O HETATM 1771 O HOH A 138 6.258 36.956 20.015 1.00 25.92 O HETATM 1772 O HOH A 139 31.999 40.107 8.723 1.00 26.37 O HETATM 1773 O HOH A 140 30.306 40.676 12.177 1.00 20.31 O HETATM 1774 O HOH A 141 19.938 42.733 31.594 1.00 28.15 O HETATM 1775 O HOH A 142 20.023 30.901 9.253 1.00 28.87 O HETATM 1776 O HOH A 143 27.551 41.822 31.143 1.00 27.87 O HETATM 1777 O HOH A 144 20.243 45.800 29.859 1.00 75.34 O HETATM 1778 O HOH A 145 26.983 38.775 16.705 1.00 23.46 O HETATM 1779 O HOH A 146 10.171 44.916 7.844 1.00 38.25 O HETATM 1780 O HOH A 147 6.613 35.326 22.400 1.00 30.80 O HETATM 1781 O HOH A 148 11.889 25.720 10.987 1.00 25.63 O HETATM 1782 O HOH A 149 15.944 46.264 28.924 1.00 30.83 O HETATM 1783 O HOH A 150 9.101 18.846 7.945 1.00 23.86 O HETATM 1784 O HOH A 151 27.340 30.750 25.083 1.00 32.38 O HETATM 1785 O HOH A 152 21.774 50.330 19.722 1.00 21.98 O HETATM 1786 O HOH A 153 13.701 40.795 29.025 1.00 39.02 O HETATM 1787 O HOH A 154 25.236 42.797 4.586 1.00 21.51 O HETATM 1788 O HOH A 155 22.651 47.702 27.722 1.00 27.37 O HETATM 1789 O HOH A 156 11.472 54.359 12.710 1.00 32.84 O HETATM 1790 O HOH A 157 11.836 52.325 9.781 1.00 28.33 O HETATM 1791 O HOH A 158 8.805 31.346 15.421 1.00 26.09 O HETATM 1792 O HOH A 159 29.574 40.119 30.579 1.00 48.84 O HETATM 1793 O HOH A 160 31.783 48.731 20.251 1.00 28.37 O HETATM 1794 O HOH A 161 31.591 40.232 32.765 1.00 26.09 O HETATM 1795 O HOH A 162 30.780 46.204 22.849 1.00 36.08 O HETATM 1796 O HOH A 163 23.674 38.745 6.019 1.00 32.76 O HETATM 1797 O HOH A 164 7.939 46.793 20.178 1.00 56.71 O HETATM 1798 O HOH A 165 19.989 22.133 26.041 1.00 27.61 O HETATM 1799 O HOH A 166 31.163 45.224 2.552 1.00 46.04 O HETATM 1800 O HOH A 167 26.739 37.223 14.431 1.00 37.17 O HETATM 1801 O HOH A 168 36.235 39.830 17.446 1.00 30.30 O HETATM 1802 O HOH A 169 14.963 24.844 27.717 1.00 38.95 O HETATM 1803 O HOH A 170 25.474 33.331 15.608 1.00 28.92 O HETATM 1804 O HOH A 171 28.895 47.891 20.975 1.00 56.04 O HETATM 1805 O HOH A 172 28.467 38.467 13.480 1.00 34.21 O HETATM 1806 O HOH A 173 30.279 27.899 19.173 1.00 42.13 O HETATM 1807 O HOH A 174 17.257 42.005 32.957 1.00 40.32 O HETATM 1808 O HOH A 175 19.929 40.024 5.182 1.00 40.50 O HETATM 1809 O HOH A 176 8.460 29.253 13.520 1.00 31.76 O HETATM 1810 O HOH A 177 17.500 23.422 27.161 1.00 58.74 O HETATM 1811 O HOH A 178 3.472 35.691 19.424 1.00 35.04 O HETATM 1812 O HOH A 179 6.771 41.897 8.339 1.00 35.66 O HETATM 1813 O HOH A 180 23.565 35.102 4.567 1.00 75.60 O HETATM 1814 O HOH A 181 23.627 30.691 11.742 1.00 34.28 O HETATM 1815 O HOH A 182 11.076 40.389 30.105 1.00 30.96 O HETATM 1816 O HOH A 183 6.690 39.903 6.201 1.00 32.32 O HETATM 1817 O HOH A 184 9.627 23.563 7.716 1.00 23.25 O HETATM 1818 O HOH A 185 12.196 27.883 30.685 1.00 29.04 O HETATM 1819 O HOH A 186 16.906 54.262 15.706 1.00 36.01 O HETATM 1820 O HOH A 187 14.998 42.253 30.429 1.00 40.04 O HETATM 1821 O HOH A 188 21.126 41.084 2.528 1.00 43.51 O HETATM 1822 O HOH A 189 18.236 48.588 27.829 1.00 45.93 O HETATM 1823 O HOH A 190 21.106 56.113 15.805 1.00 57.49 O HETATM 1824 O HOH A 191 16.875 25.631 30.142 1.00 40.87 O HETATM 1825 O HOH A 192 9.392 25.794 15.150 1.00 45.13 O HETATM 1826 O HOH A 193 27.421 25.216 26.927 1.00 57.75 O HETATM 1827 O HOH A 194 18.489 51.542 3.002 1.00 48.63 O HETATM 1828 O HOH A 195 28.446 28.682 26.598 1.00 69.19 O HETATM 1829 O HOH A 196 2.682 28.826 15.642 1.00 51.51 O HETATM 1830 O HOH A 197 32.537 34.636 14.612 1.00 42.65 O HETATM 1831 O HOH B 122 31.435 55.752 1.385 1.00 10.65 O HETATM 1832 O HOH B 123 43.193 60.220 -11.521 1.00 14.30 O HETATM 1833 O HOH B 124 42.982 65.274 3.081 1.00 8.16 O HETATM 1834 O HOH B 125 42.617 44.134 -7.322 1.00 15.33 O HETATM 1835 O HOH B 126 27.726 50.448 6.668 1.00 14.61 O HETATM 1836 O HOH B 127 44.752 66.889 4.611 1.00 9.37 O HETATM 1837 O HOH B 128 40.576 44.849 8.513 1.00 18.36 O HETATM 1838 O HOH B 129 37.434 53.347 -7.781 1.00 13.98 O HETATM 1839 O HOH B 130 50.675 58.761 -3.733 1.00 24.73 O HETATM 1840 O HOH B 131 34.281 46.568 15.031 1.00 11.73 O HETATM 1841 O HOH B 132 37.212 47.382 -6.388 1.00 25.99 O HETATM 1842 O HOH B 133 40.367 64.718 1.068 1.00 10.30 O HETATM 1843 O HOH B 134 25.571 52.408 4.357 1.00 17.72 O HETATM 1844 O HOH B 135 25.702 55.011 12.333 1.00 27.80 O HETATM 1845 O HOH B 136 32.768 59.677 -3.769 1.00 19.32 O HETATM 1846 O HOH B 137 43.406 63.996 16.040 1.00 39.42 O HETATM 1847 O HOH B 138 32.723 62.745 -1.826 1.00 24.79 O HETATM 1848 O HOH B 139 47.055 46.976 13.139 1.00 23.09 O HETATM 1849 O HOH B 140 43.885 62.953 -5.750 1.00 22.19 O HETATM 1850 O HOH B 141 35.576 56.522 11.386 1.00 19.80 O HETATM 1851 O HOH B 142 36.391 67.139 6.784 1.00 23.01 O HETATM 1852 O HOH B 143 37.373 39.443 6.188 1.00 49.41 O HETATM 1853 O HOH B 144 29.193 55.232 -0.531 1.00 30.01 O HETATM 1854 O HOH B 145 49.018 57.074 -4.853 1.00 21.75 O HETATM 1855 O HOH B 146 36.876 54.323 -10.948 1.00 22.71 O HETATM 1856 O HOH B 147 38.531 69.154 -5.342 1.00 35.60 O HETATM 1857 O HOH B 148 43.921 43.500 -0.010 1.00 24.24 O HETATM 1858 O HOH B 149 52.627 68.422 6.930 1.00 28.17 O HETATM 1859 O HOH B 150 36.321 61.737 9.779 1.00 25.22 O HETATM 1860 O HOH B 151 48.152 52.798 19.062 1.00 37.64 O HETATM 1861 O HOH B 152 39.025 48.808 17.522 1.00 30.72 O HETATM 1862 O HOH B 153 53.572 64.224 0.549 1.00 47.95 O HETATM 1863 O HOH B 154 25.277 50.169 5.863 1.00 28.78 O HETATM 1864 O HOH B 155 41.881 40.201 5.540 1.00 54.38 O HETATM 1865 O HOH B 156 37.064 42.575 -4.410 1.00 26.22 O HETATM 1866 O HOH B 157 50.314 47.300 -3.529 1.00 40.57 O HETATM 1867 O HOH B 158 29.862 54.572 12.445 1.00 24.66 O HETATM 1868 O HOH B 159 29.209 55.778 -8.146 1.00 36.99 O HETATM 1869 O HOH B 160 46.840 45.643 3.676 1.00 34.79 O HETATM 1870 O HOH B 161 39.980 77.016 -8.442 1.00 58.84 O HETATM 1871 O HOH B 162 27.922 47.520 6.787 1.00 31.99 O HETATM 1872 O HOH B 163 52.853 53.808 6.270 1.00 38.04 O HETATM 1873 O HOH B 164 42.612 65.254 -6.457 1.00 32.46 O HETATM 1874 O HOH B 165 55.652 67.136 -3.093 1.00 39.37 O HETATM 1875 O HOH B 166 46.969 54.290 20.389 1.00 35.45 O HETATM 1876 O HOH B 167 42.989 39.525 7.730 1.00 40.93 O HETATM 1877 O HOH B 168 37.957 74.553 -0.675 1.00 43.77 O HETATM 1878 O HOH B 169 49.311 61.176 -9.958 1.00 48.93 O HETATM 1879 O HOH B 170 33.359 57.776 10.115 1.00 45.35 O HETATM 1880 O HOH B 171 31.652 56.732 11.684 1.00 35.72 O HETATM 1881 O HOH B 172 54.752 67.777 11.457 1.00 42.38 O HETATM 1882 O HOH B 173 27.797 56.175 3.289 1.00 28.61 O HETATM 1883 O HOH B 174 51.543 69.806 11.073 1.00 40.26 O HETATM 1884 O HOH B 175 44.232 72.766 -5.275 1.00 51.91 O HETATM 1885 O HOH B 176 39.268 40.334 0.928 1.00 23.24 O HETATM 1886 O HOH B 177 33.307 64.370 1.260 1.00 24.01 O HETATM 1887 O HOH B 178 35.294 59.490 9.035 1.00 42.57 O HETATM 1888 O HOH B 179 45.980 59.489 -13.614 1.00 42.83 O HETATM 1889 O HOH B 180 50.474 58.480 -7.704 1.00 24.38 O HETATM 1890 O HOH B 181 44.184 68.375 -3.690 1.00 60.27 O HETATM 1891 O HOH B 182 26.814 43.949 -2.489 1.00 38.61 O HETATM 1892 O HOH B 183 28.177 56.433 -2.855 1.00 27.16 O HETATM 1893 O HOH B 184 49.041 57.565 -11.448 1.00 49.46 O HETATM 1894 O HOH B 185 45.745 65.582 -5.195 1.00 39.52 O HETATM 1895 O HOH B 186 35.244 66.779 1.628 1.00 36.97 O HETATM 1896 O HOH B 187 37.957 72.035 -9.446 1.00 76.12 O CONECT 291 308 CONECT 308 291 CONECT 1168 1185 CONECT 1185 1168 END