USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER LIGASE 14-JUL-03 1PZV TITLE CRYSTAL STRUCTURES OF TWO UBC (E2) ENZYMES OF THE UBIQUITIN- TITLE 2 CONJUGATING SYSTEM IN CAENORHABDITIS ELEGANS COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROBABLE UBIQUITIN-CONJUGATING ENZYME E2-19 KDA; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: UBIQUITIN-PROTEIN LIGASE, UBIQUITIN CARRIER COMPND 5 PROTEIN; COMPND 6 EC: 6.3.2.19; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; SOURCE 3 ORGANISM_TAXID: 6239; SOURCE 4 GENE: F58A4.10; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28B KEYWDS ALPHA-BETA(4)-ALPHA(3), CORE, MEANDER BETA-SHEET PLUS ONE KEYWDS 2 HELIX 2, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE KEYWDS 3 INITIATIVE, SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS, KEYWDS 4 SECSG, LIGASE EXPDTA X-RAY DIFFRACTION AUTHOR N.SCHORMANN,G.LIN,S.LI,J.SYMERSKY,S.QIU,J.FINLEY,D.LUO, AUTHOR 2 A.STANTON,M.CARSON,M.LUO,SOUTHEAST COLLABORATORY FOR AUTHOR 3 STRUCTURAL GENOMICS (SECSG) REVDAT 3 24-FEB-09 1PZV 1 VERSN REVDAT 2 01-FEB-05 1PZV 1 AUTHOR KEYWDS REMARK REVDAT 1 22-JUL-03 1PZV 0 JRNL AUTH N.SCHORMANN,G.LIN,S.LI,J.SYMERSKY,S.QIU,J.FINLEY, JRNL AUTH 2 D.LUO,A.STANTON,M.CARSON,M.LUO,L.DELUCAS,P.PRUETT, JRNL AUTH 3 L.NAGY,A.ARABASHI,R.GRAY,D.JOHNSON,J.TSAO,B.BUNZEL, JRNL AUTH 4 W.HUANG,Q.SHANG,C.-H.LUAN,S.LU,J.ZHANG,A.MCKINSTRY, JRNL AUTH 5 H.CHEN JRNL TITL CRYSTAL STRUCTURES OF TWO UBC (E2) ENZYMES OF THE JRNL TITL 2 UBIQUITIN-CONJUGATING SYSTEM IN CAENORHABDITIS JRNL TITL 3 ELEGANS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.52 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.52 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.82 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 500016.780 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 85.9 REMARK 3 NUMBER OF REFLECTIONS : 5401 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.241 REMARK 3 FREE R VALUE : 0.289 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.800 REMARK 3 FREE R VALUE TEST SET COUNT : 311 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.016 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.52 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.66 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 56.80 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 562 REMARK 3 BIN R VALUE (WORKING SET) : 0.4480 REMARK 3 BIN FREE R VALUE : 0.4500 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.10 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 30 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.082 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1229 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 41 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 55.80 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 68.90 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -28.85000 REMARK 3 B22 (A**2) : -23.61000 REMARK 3 B33 (A**2) : 52.46000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.42 REMARK 3 ESD FROM SIGMAA (A) : 0.80 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.52 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.71 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.50 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.50 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.54 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.510 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.620 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.020 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.210 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.34 REMARK 3 BSOL : 52.27 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1PZV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUL-03. REMARK 100 THE RCSB ID CODE IS RCSB019739. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-OCT-02 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 9.4 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 22-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.105 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL MONOCHROMATOR REMARK 200 SI-220 REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6215 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.520 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 200 DATA REDUNDANCY : 7.100 REMARK 200 R MERGE (I) : 0.05400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 16.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.52 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.59 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.6 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.33600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 2UCZ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.42 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 5000 MME, CAPSO, GLYCEROL, REMARK 280 POTASSIUM THIOCYANATE, PH 9.4, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-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 24.23700 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.44100 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 26.09200 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 34.44100 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 24.23700 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 26.09200 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 GLU A 2 REMARK 465 GLN A 3 REMARK 465 GLY A 96 REMARK 465 ASP A 97 REMARK 465 ASP A 98 REMARK 465 LYS A 99 REMARK 465 TRP A 100 REMARK 465 GLY A 101 REMARK 465 TYR A 102 REMARK 465 GLU A 103 REMARK 465 ARG A 104 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PRO A 95 CA - N - CD ANGL. DEV. = -16.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 21 116.28 -26.58 REMARK 500 ILE A 33 3.79 -64.13 REMARK 500 ASP A 45 31.97 76.66 REMARK 500 PHE A 52 70.65 -112.57 REMARK 500 TYR A 63 -68.82 -28.84 REMARK 500 GLN A 65 57.49 -104.11 REMARK 500 LYS A 66 111.64 175.25 REMARK 500 SER A 74 108.79 88.27 REMARK 500 GLU A 75 131.81 -39.46 REMARK 500 ASP A 82 -178.54 -69.76 REMARK 500 ILE A 91 -6.35 -58.72 REMARK 500 ASP A 94 113.41 -166.88 REMARK 500 PHE A 131 -98.38 -71.16 REMARK 500 GLU A 132 78.25 31.16 REMARK 500 GLU A 145 -62.76 -104.65 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: F58A4.10 RELATED DB: TARGETDB DBREF 1PZV A 1 164 UNP P34477 UBC7_CAEEL 1 164 SEQRES 1 A 164 MET GLU GLN SER SER LEU LEU LEU LYS LYS GLN LEU ALA SEQRES 2 A 164 ASP MET ARG ARG VAL PRO VAL ASP GLY PHE SER ALA GLY SEQRES 3 A 164 LEU VAL ASP ASP ASN ASP ILE TYR LYS TRP GLU VAL LEU SEQRES 4 A 164 VAL ILE GLY PRO PRO ASP THR LEU TYR GLU GLY GLY PHE SEQRES 5 A 164 PHE LYS ALA ILE LEU ASP PHE PRO ARG ASP TYR PRO GLN SEQRES 6 A 164 LYS PRO PRO LYS MET LYS PHE ILE SER GLU ILE TRP HIS SEQRES 7 A 164 PRO ASN ILE ASP LYS GLU GLY ASN VAL CYS ILE SER ILE SEQRES 8 A 164 LEU HIS ASP PRO GLY ASP ASP LYS TRP GLY TYR GLU ARG SEQRES 9 A 164 PRO GLU GLU ARG TRP LEU PRO VAL HIS THR VAL GLU THR SEQRES 10 A 164 ILE LEU LEU SER VAL ILE SER MET LEU THR ASP PRO ASN SEQRES 11 A 164 PHE GLU SER PRO ALA ASN VAL ASP ALA ALA LYS MET GLN SEQRES 12 A 164 ARG GLU ASN TYR ALA GLU PHE LYS LYS LYS VAL ALA GLN SEQRES 13 A 164 CYS VAL ARG ARG SER GLN GLU GLU FORMUL 2 HOH *41(H2 O) HELIX 1 1 SER A 4 VAL A 18 1 15 HELIX 2 2 ASP A 62 LYS A 66 5 5 HELIX 3 3 ILE A 89 HIS A 93 5 5 HELIX 4 4 THR A 114 ASP A 128 1 15 HELIX 5 5 ASN A 136 GLU A 145 1 10 HELIX 6 6 ASN A 146 GLN A 162 1 17 SHEET 1 A 4 PHE A 23 LEU A 27 0 SHEET 2 A 4 LYS A 35 ILE A 41 -1 O LEU A 39 N SER A 24 SHEET 3 A 4 PHE A 52 ASP A 58 -1 O ALA A 55 N VAL A 38 SHEET 4 A 4 LYS A 69 PHE A 72 -1 O LYS A 69 N ASP A 58 CRYST1 48.474 52.184 68.882 90.00 90.00 90.00 P 21 21 21 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 0.020630 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019163 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014518 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 153 LYS NZ :NH3+ 170:sc= 0.0479 (180deg=-0.37) USER MOD Set 1.2: A 156 GLN : amide:sc= -4.32! C(o=-4.3!,f=-5.7!) USER MOD Set 2.1: A 114 THR OG1 : rot -160:sc= -1.33 USER MOD Set 2.2: A 117 THR OG1 : rot 180:sc= 0.0623 USER MOD Set 3.1: A 11 GLN :FLIP amide:sc= -1.83! C(o=-4!,f=-1!) USER MOD Set 3.2: A 63 TYR OH : rot -15:sc= 0.78 USER MOD Set 4.1: A 48 TYR OH : rot -160:sc= 1.9 USER MOD Set 4.2: A 78 HIS : no HE2:sc= -4.01! C(o=-0.77!,f=-4.7!) USER MOD Set 4.3: A 80 ASN : amide:sc= 1.35 K(o=-0.77,f=-4.5!) USER MOD Set 5.1: A 4 SER OG : rot 155:sc= 1.34 USER MOD Set 5.2: A 34 TYR OH : rot 15:sc= 0.538 USER MOD Single : A 5 SER OG : rot 180:sc= -0.37 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -109:sc= 0.192 (180deg=0) USER MOD Single : A 15 MET CE :methyl -125:sc= -7.99! (180deg=-12.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0716 (180deg=-0.258) USER MOD Single : A 46 THR OG1 : rot -74:sc= -0.0142 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.44 F(o=-3.8!,f=-0.44) USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= 0.153 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 133:sc= 0.0754 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.0256 F(o=-2!,f=-0.026) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -2.04 X(o=-2,f=-2.4!) USER MOD Single : A 113 HIS : no HD1:sc= -2.27! X(o=-2.3!,f=-2.2) USER MOD Single : A 121 SER OG : rot -37:sc= -0.277 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -170:sc= -2.45! (180deg=-2.57!) USER MOD Single : A 127 THR OG1 : rot 95:sc= 1.32 USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 ASN : amide:sc= 0.0868 K(o=0.087,f=-5.4!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 MET CE :methyl -138:sc= -0.298 (180deg=-1.17) USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 146 ASN : amide:sc= 0.42 K(o=0.42,f=-2.9!) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 CYS SG : rot 110:sc=-0.00225 USER MOD Single : A 161 SER OG : rot -37:sc= 0.287 USER MOD Single : A 162 GLN :FLIP amide:sc= -0.0412 F(o=-1.5!,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 4 23.518 21.087 9.452 1.00 56.08 N ATOM 2 CA SER A 4 22.654 19.984 9.978 1.00 59.99 C ATOM 3 C SER A 4 21.187 20.252 9.680 1.00 60.44 C ATOM 4 O SER A 4 20.542 19.514 8.927 1.00 59.25 O ATOM 5 CB SER A 4 22.823 19.842 11.492 1.00 61.51 C ATOM 6 OG SER A 4 21.864 18.935 12.020 1.00 62.69 O ATOM 0 HA SER A 4 22.930 19.165 9.537 1.00 59.99 H new ATOM 0 HB2 SER A 4 23.718 19.528 11.694 1.00 61.51 H new ATOM 0 HB3 SER A 4 22.724 20.709 11.916 1.00 61.51 H new ATOM 0 HG SER A 4 22.154 18.606 12.737 1.00 62.69 H new ATOM 7 N SER A 5 20.665 21.308 10.301 1.00 61.35 N ATOM 8 CA SER A 5 19.286 21.715 10.102 1.00 61.38 C ATOM 9 C SER A 5 19.172 22.275 8.684 1.00 61.43 C ATOM 10 O SER A 5 18.099 22.292 8.085 1.00 61.70 O ATOM 11 CB SER A 5 18.908 22.785 11.131 1.00 62.17 C ATOM 12 OG SER A 5 17.548 23.186 11.002 1.00 63.18 O ATOM 0 H SER A 5 21.104 21.805 10.848 1.00 61.35 H new ATOM 0 HA SER A 5 18.684 20.963 10.216 1.00 61.38 H new ATOM 0 HB2 SER A 5 19.061 22.442 12.025 1.00 62.17 H new ATOM 0 HB3 SER A 5 19.485 23.557 11.021 1.00 62.17 H new ATOM 0 HG SER A 5 17.372 23.770 11.579 1.00 63.18 H new ATOM 13 N LEU A 6 20.298 22.730 8.153 1.00 61.54 N ATOM 14 CA LEU A 6 20.338 23.280 6.812 1.00 61.39 C ATOM 15 C LEU A 6 20.303 22.138 5.792 1.00 60.41 C ATOM 16 O LEU A 6 19.572 22.203 4.800 1.00 59.14 O ATOM 17 CB LEU A 6 21.609 24.131 6.655 1.00 64.12 C ATOM 18 CG LEU A 6 22.036 24.850 5.360 1.00 66.16 C ATOM 19 CD1 LEU A 6 23.242 24.123 4.769 1.00 66.33 C ATOM 20 CD2 LEU A 6 20.890 24.935 4.351 1.00 66.48 C ATOM 0 H LEU A 6 21.056 22.728 8.559 1.00 61.54 H new ATOM 0 HA LEU A 6 19.567 23.848 6.656 1.00 61.39 H new ATOM 0 HB2 LEU A 6 21.555 24.819 7.337 1.00 64.12 H new ATOM 0 HB3 LEU A 6 22.349 23.552 6.895 1.00 64.12 H new ATOM 0 HG LEU A 6 22.280 25.764 5.573 1.00 66.16 H new ATOM 0 HD11 LEU A 6 23.520 24.567 3.953 1.00 66.33 H new ATOM 0 HD12 LEU A 6 23.972 24.135 5.408 1.00 66.33 H new ATOM 0 HD13 LEU A 6 23.001 23.204 4.571 1.00 66.33 H new ATOM 0 HD21 LEU A 6 21.195 25.392 3.552 1.00 66.48 H new ATOM 0 HD22 LEU A 6 20.596 24.040 4.119 1.00 66.48 H new ATOM 0 HD23 LEU A 6 20.151 25.427 4.742 1.00 66.48 H new ATOM 21 N LEU A 7 21.075 21.088 6.054 1.00 58.22 N ATOM 22 CA LEU A 7 21.144 19.942 5.157 1.00 59.10 C ATOM 23 C LEU A 7 19.803 19.211 5.079 1.00 59.77 C ATOM 24 O LEU A 7 19.358 18.828 3.990 1.00 58.51 O ATOM 25 CB LEU A 7 22.253 18.986 5.620 1.00 60.20 C ATOM 26 CG LEU A 7 22.609 17.726 4.811 1.00 61.42 C ATOM 27 CD1 LEU A 7 23.128 18.072 3.407 1.00 56.91 C ATOM 28 CD2 LEU A 7 23.661 16.949 5.595 1.00 60.38 C ATOM 0 H LEU A 7 21.571 21.021 6.753 1.00 58.22 H new ATOM 0 HA LEU A 7 21.352 20.265 4.266 1.00 59.10 H new ATOM 0 HB2 LEU A 7 23.065 19.511 5.698 1.00 60.20 H new ATOM 0 HB3 LEU A 7 22.018 18.692 6.514 1.00 60.20 H new ATOM 0 HG LEU A 7 21.810 17.190 4.685 1.00 61.42 H new ATOM 0 HD11 LEU A 7 23.341 17.255 2.930 1.00 56.91 H new ATOM 0 HD12 LEU A 7 22.446 18.561 2.921 1.00 56.91 H new ATOM 0 HD13 LEU A 7 23.926 18.619 3.482 1.00 56.91 H new ATOM 0 HD21 LEU A 7 23.903 16.148 5.105 1.00 60.38 H new ATOM 0 HD22 LEU A 7 24.448 17.503 5.718 1.00 60.38 H new ATOM 0 HD23 LEU A 7 23.302 16.702 6.461 1.00 60.38 H new ATOM 29 N LEU A 8 19.159 19.020 6.230 1.00 60.32 N ATOM 30 CA LEU A 8 17.864 18.345 6.272 1.00 59.58 C ATOM 31 C LEU A 8 16.796 19.146 5.553 1.00 59.32 C ATOM 32 O LEU A 8 15.955 18.575 4.862 1.00 60.62 O ATOM 33 CB LEU A 8 17.419 18.086 7.715 1.00 58.31 C ATOM 34 CG LEU A 8 18.085 16.886 8.398 1.00 59.43 C ATOM 35 CD1 LEU A 8 17.513 16.684 9.806 1.00 58.13 C ATOM 36 CD2 LEU A 8 17.855 15.639 7.553 1.00 59.02 C ATOM 0 H LEU A 8 19.455 19.274 6.996 1.00 60.32 H new ATOM 0 HA LEU A 8 17.976 17.495 5.818 1.00 59.58 H new ATOM 0 HB2 LEU A 8 17.599 18.881 8.241 1.00 58.31 H new ATOM 0 HB3 LEU A 8 16.458 17.952 7.723 1.00 58.31 H new ATOM 0 HG LEU A 8 19.037 17.052 8.479 1.00 59.43 H new ATOM 0 HD11 LEU A 8 17.944 15.922 10.224 1.00 58.13 H new ATOM 0 HD12 LEU A 8 17.674 17.479 10.338 1.00 58.13 H new ATOM 0 HD13 LEU A 8 16.558 16.523 9.748 1.00 58.13 H new ATOM 0 HD21 LEU A 8 18.275 14.876 7.981 1.00 59.02 H new ATOM 0 HD22 LEU A 8 16.902 15.477 7.467 1.00 59.02 H new ATOM 0 HD23 LEU A 8 18.241 15.769 6.673 1.00 59.02 H new ATOM 37 N LYS A 9 16.818 20.465 5.708 1.00 58.41 N ATOM 38 CA LYS A 9 15.819 21.290 5.034 1.00 59.60 C ATOM 39 C LYS A 9 15.996 21.139 3.526 1.00 58.72 C ATOM 40 O LYS A 9 15.025 21.058 2.769 1.00 58.19 O ATOM 41 CB LYS A 9 15.956 22.766 5.444 1.00 59.99 C ATOM 42 CG LYS A 9 15.520 23.056 6.887 1.00 63.40 C ATOM 43 CD LYS A 9 15.797 24.506 7.297 1.00 66.38 C ATOM 44 CE LYS A 9 15.574 24.747 8.802 1.00 67.83 C ATOM 45 NZ LYS A 9 15.983 26.131 9.244 1.00 67.34 N ATOM 0 H LYS A 9 17.388 20.895 6.187 1.00 58.41 H new ATOM 0 HA LYS A 9 14.932 20.995 5.294 1.00 59.60 H new ATOM 0 HB2 LYS A 9 16.881 23.038 5.334 1.00 59.99 H new ATOM 0 HB3 LYS A 9 15.427 23.310 4.840 1.00 59.99 H new ATOM 0 HG2 LYS A 9 14.572 22.871 6.980 1.00 63.40 H new ATOM 0 HG3 LYS A 9 15.986 22.457 7.490 1.00 63.40 H new ATOM 0 HD2 LYS A 9 16.711 24.735 7.068 1.00 66.38 H new ATOM 0 HD3 LYS A 9 15.221 25.098 6.789 1.00 66.38 H new ATOM 0 HE2 LYS A 9 14.637 24.610 9.011 1.00 67.83 H new ATOM 0 HE3 LYS A 9 16.077 24.089 9.308 1.00 67.83 H new ATOM 0 HZ1 LYS A 9 15.835 26.220 10.117 1.00 67.34 H new ATOM 0 HZ2 LYS A 9 16.848 26.253 9.076 1.00 67.34 H new ATOM 0 HZ3 LYS A 9 15.507 26.738 8.800 1.00 67.34 H new ATOM 46 N LYS A 10 17.251 21.087 3.101 1.00 58.42 N ATOM 47 CA LYS A 10 17.574 20.941 1.690 1.00 56.33 C ATOM 48 C LYS A 10 17.146 19.562 1.202 1.00 55.13 C ATOM 49 O LYS A 10 16.470 19.454 0.183 1.00 53.78 O ATOM 50 CB LYS A 10 19.085 21.148 1.468 1.00 55.79 C ATOM 51 CG LYS A 10 19.594 20.813 0.071 1.00 54.12 C ATOM 52 CD LYS A 10 18.974 21.703 -0.978 1.00 54.19 C ATOM 53 CE LYS A 10 19.157 21.104 -2.369 1.00 55.26 C ATOM 54 NZ LYS A 10 18.442 21.882 -3.431 1.00 54.67 N ATOM 0 H LYS A 10 17.936 21.135 3.619 1.00 58.42 H new ATOM 0 HA LYS A 10 17.094 21.614 1.182 1.00 56.33 H new ATOM 0 HB2 LYS A 10 19.301 22.074 1.661 1.00 55.79 H new ATOM 0 HB3 LYS A 10 19.568 20.605 2.110 1.00 55.79 H new ATOM 0 HG2 LYS A 10 20.559 20.908 0.047 1.00 54.12 H new ATOM 0 HG3 LYS A 10 19.395 19.886 -0.132 1.00 54.12 H new ATOM 0 HD2 LYS A 10 18.029 21.820 -0.793 1.00 54.19 H new ATOM 0 HD3 LYS A 10 19.380 22.583 -0.944 1.00 54.19 H new ATOM 0 HE2 LYS A 10 20.103 21.069 -2.580 1.00 55.26 H new ATOM 0 HE3 LYS A 10 18.832 20.190 -2.369 1.00 55.26 H new ATOM 0 HZ1 LYS A 10 17.744 21.414 -3.723 1.00 54.67 H new ATOM 0 HZ2 LYS A 10 18.160 22.656 -3.093 1.00 54.67 H new ATOM 0 HZ3 LYS A 10 18.997 22.040 -4.108 1.00 54.67 H new ATOM 55 N GLN A 11 17.532 18.515 1.932 1.00 54.07 N ATOM 56 CA GLN A 11 17.186 17.151 1.545 1.00 54.68 C ATOM 57 C GLN A 11 15.673 16.901 1.525 1.00 55.06 C ATOM 58 O GLN A 11 15.148 16.295 0.572 1.00 54.78 O ATOM 59 CB GLN A 11 17.887 16.138 2.462 1.00 54.21 C ATOM 60 CG GLN A 11 19.407 16.153 2.312 1.00 54.57 C ATOM 61 CD GLN A 11 20.098 15.017 3.041 1.00 52.34 C ATOM 62 OE1 GLN A 11 19.322 14.196 3.719 1.00 52.75 O flip ATOM 63 NE2 GLN A 11 21.315 14.881 2.990 1.00 53.89 N flip ATOM 0 H GLN A 11 17.995 18.575 2.654 1.00 54.07 H new ATOM 0 HA GLN A 11 17.500 17.031 0.635 1.00 54.68 H new ATOM 0 HB2 GLN A 11 17.656 16.330 3.384 1.00 54.21 H new ATOM 0 HB3 GLN A 11 17.556 15.248 2.266 1.00 54.21 H new ATOM 0 HG2 GLN A 11 19.632 16.107 1.370 1.00 54.57 H new ATOM 0 HG3 GLN A 11 19.749 16.997 2.645 1.00 54.57 H new ATOM 0 HE21 GLN A 11 21.791 15.436 2.537 1.00 53.89 H new ATOM 0 HE22 GLN A 11 21.693 14.230 3.407 1.00 53.89 H new ATOM 64 N LEU A 12 14.976 17.369 2.561 1.00 52.99 N ATOM 65 CA LEU A 12 13.528 17.210 2.638 1.00 51.77 C ATOM 66 C LEU A 12 12.864 17.870 1.434 1.00 51.51 C ATOM 67 O LEU A 12 11.934 17.315 0.837 1.00 51.48 O ATOM 68 CB LEU A 12 12.984 17.846 3.918 1.00 51.08 C ATOM 69 CG LEU A 12 11.451 17.910 4.041 1.00 51.10 C ATOM 70 CD1 LEU A 12 10.873 16.518 3.934 1.00 50.18 C ATOM 71 CD2 LEU A 12 11.047 18.560 5.364 1.00 49.66 C ATOM 0 H LEU A 12 15.326 17.782 3.229 1.00 52.99 H new ATOM 0 HA LEU A 12 13.328 16.261 2.643 1.00 51.77 H new ATOM 0 HB2 LEU A 12 13.331 17.351 4.677 1.00 51.08 H new ATOM 0 HB3 LEU A 12 13.334 18.748 3.984 1.00 51.08 H new ATOM 0 HG LEU A 12 11.098 18.453 3.319 1.00 51.10 H new ATOM 0 HD11 LEU A 12 9.907 16.562 4.012 1.00 50.18 H new ATOM 0 HD12 LEU A 12 11.111 16.134 3.076 1.00 50.18 H new ATOM 0 HD13 LEU A 12 11.230 15.964 4.646 1.00 50.18 H new ATOM 0 HD21 LEU A 12 10.080 18.593 5.426 1.00 49.66 H new ATOM 0 HD22 LEU A 12 11.401 18.039 6.102 1.00 49.66 H new ATOM 0 HD23 LEU A 12 11.404 19.461 5.404 1.00 49.66 H new ATOM 72 N ALA A 13 13.354 19.058 1.088 1.00 49.69 N ATOM 73 CA ALA A 13 12.830 19.824 -0.034 1.00 49.51 C ATOM 74 C ALA A 13 13.007 19.113 -1.366 1.00 49.20 C ATOM 75 O ALA A 13 12.087 19.090 -2.173 1.00 49.23 O ATOM 76 CB ALA A 13 13.489 21.203 -0.080 1.00 48.53 C ATOM 0 H ALA A 13 14.003 19.442 1.501 1.00 49.69 H new ATOM 0 HA ALA A 13 11.875 19.921 0.109 1.00 49.51 H new ATOM 0 HB1 ALA A 13 13.135 21.706 -0.830 1.00 48.53 H new ATOM 0 HB2 ALA A 13 13.303 21.678 0.745 1.00 48.53 H new ATOM 0 HB3 ALA A 13 14.448 21.100 -0.184 1.00 48.53 H new ATOM 77 N ASP A 14 14.178 18.536 -1.611 1.00 50.26 N ATOM 78 CA ASP A 14 14.380 17.842 -2.874 1.00 53.54 C ATOM 79 C ASP A 14 13.410 16.680 -2.897 1.00 54.45 C ATOM 80 O ASP A 14 12.710 16.440 -3.882 1.00 55.17 O ATOM 81 CB ASP A 14 15.811 17.313 -3.006 1.00 55.79 C ATOM 82 CG ASP A 14 16.855 18.417 -2.962 1.00 60.68 C ATOM 83 OD1 ASP A 14 16.619 19.514 -3.534 1.00 60.70 O ATOM 84 OD2 ASP A 14 17.928 18.173 -2.361 1.00 63.17 O ATOM 0 H ASP A 14 14.851 18.534 -1.075 1.00 50.26 H new ATOM 0 HA ASP A 14 14.231 18.454 -3.612 1.00 53.54 H new ATOM 0 HB2 ASP A 14 15.985 16.681 -2.291 1.00 55.79 H new ATOM 0 HB3 ASP A 14 15.896 16.827 -3.841 1.00 55.79 H new ATOM 85 N MET A 15 13.377 15.976 -1.775 1.00 55.11 N ATOM 86 CA MET A 15 12.524 14.820 -1.567 1.00 54.44 C ATOM 87 C MET A 15 11.081 15.117 -1.995 1.00 53.65 C ATOM 88 O MET A 15 10.436 14.313 -2.688 1.00 52.29 O ATOM 89 CB MET A 15 12.567 14.464 -0.074 1.00 58.30 C ATOM 90 CG MET A 15 12.406 12.996 0.266 1.00 60.45 C ATOM 91 SD MET A 15 13.670 11.959 -0.511 1.00 66.30 S ATOM 92 CE MET A 15 12.594 10.974 -1.619 1.00 64.40 C ATOM 0 H MET A 15 13.866 16.165 -1.093 1.00 55.11 H new ATOM 0 HA MET A 15 12.842 14.078 -2.105 1.00 54.44 H new ATOM 0 HB2 MET A 15 13.413 14.770 0.289 1.00 58.30 H new ATOM 0 HB3 MET A 15 11.868 14.961 0.379 1.00 58.30 H new ATOM 0 HG2 MET A 15 12.447 12.884 1.229 1.00 60.45 H new ATOM 0 HG3 MET A 15 11.528 12.696 -0.017 1.00 60.45 H new ATOM 0 HE1 MET A 15 12.736 10.029 -1.452 1.00 64.40 H new ATOM 0 HE2 MET A 15 11.665 11.196 -1.449 1.00 64.40 H new ATOM 0 HE3 MET A 15 12.810 11.175 -2.543 1.00 64.40 H new ATOM 93 N ARG A 16 10.577 16.273 -1.572 1.00 51.79 N ATOM 94 CA ARG A 16 9.209 16.658 -1.878 1.00 52.34 C ATOM 95 C ARG A 16 8.998 17.110 -3.320 1.00 53.94 C ATOM 96 O ARG A 16 7.900 16.942 -3.864 1.00 54.95 O ATOM 97 CB ARG A 16 8.742 17.750 -0.913 1.00 50.76 C ATOM 98 CG ARG A 16 8.711 17.309 0.543 1.00 53.38 C ATOM 99 CD ARG A 16 8.347 18.460 1.498 1.00 55.11 C ATOM 100 NE ARG A 16 6.966 18.935 1.340 1.00 59.43 N ATOM 101 CZ ARG A 16 5.887 18.350 1.872 1.00 61.33 C ATOM 102 NH1 ARG A 16 6.005 17.251 2.615 1.00 61.93 N ATOM 103 NH2 ARG A 16 4.681 18.867 1.664 1.00 60.30 N ATOM 0 H ARG A 16 11.014 16.848 -1.105 1.00 51.79 H new ATOM 0 HA ARG A 16 8.674 15.857 -1.766 1.00 52.34 H new ATOM 0 HB2 ARG A 16 9.329 18.518 -0.997 1.00 50.76 H new ATOM 0 HB3 ARG A 16 7.854 18.042 -1.173 1.00 50.76 H new ATOM 0 HG2 ARG A 16 8.068 16.590 0.647 1.00 53.38 H new ATOM 0 HG3 ARG A 16 9.578 16.951 0.788 1.00 53.38 H new ATOM 0 HD2 ARG A 16 8.478 18.166 2.413 1.00 55.11 H new ATOM 0 HD3 ARG A 16 8.956 19.200 1.348 1.00 55.11 H new ATOM 0 HE ARG A 16 6.842 19.644 0.869 1.00 59.43 H new ATOM 0 HH11 ARG A 16 6.781 16.910 2.757 1.00 61.93 H new ATOM 0 HH12 ARG A 16 5.305 16.883 2.952 1.00 61.93 H new ATOM 0 HH21 ARG A 16 4.594 19.578 1.187 1.00 60.30 H new ATOM 0 HH22 ARG A 16 3.987 18.491 2.006 1.00 60.30 H new ATOM 104 N ARG A 17 10.036 17.666 -3.944 1.00 54.16 N ATOM 105 CA ARG A 17 9.924 18.136 -5.327 1.00 55.47 C ATOM 106 C ARG A 17 10.143 16.984 -6.299 1.00 54.62 C ATOM 107 O ARG A 17 9.435 16.855 -7.299 1.00 52.06 O ATOM 108 CB ARG A 17 10.941 19.254 -5.598 1.00 60.90 C ATOM 109 CG ARG A 17 10.826 19.861 -6.988 1.00 65.43 C ATOM 110 CD ARG A 17 11.693 21.109 -7.170 1.00 70.43 C ATOM 111 NE ARG A 17 11.453 21.706 -8.488 1.00 74.72 N ATOM 112 CZ ARG A 17 11.965 22.861 -8.910 1.00 74.79 C ATOM 113 NH1 ARG A 17 11.674 23.306 -10.132 1.00 73.82 N ATOM 114 NH2 ARG A 17 12.759 23.573 -8.114 1.00 74.54 N ATOM 0 H ARG A 17 10.810 17.780 -3.588 1.00 54.16 H new ATOM 0 HA ARG A 17 9.030 18.489 -5.458 1.00 55.47 H new ATOM 0 HB2 ARG A 17 10.824 19.954 -4.937 1.00 60.90 H new ATOM 0 HB3 ARG A 17 11.837 18.901 -5.481 1.00 60.90 H new ATOM 0 HG2 ARG A 17 11.081 19.197 -7.647 1.00 65.43 H new ATOM 0 HG3 ARG A 17 9.899 20.090 -7.160 1.00 65.43 H new ATOM 0 HD2 ARG A 17 11.493 21.754 -6.474 1.00 70.43 H new ATOM 0 HD3 ARG A 17 12.630 20.876 -7.079 1.00 70.43 H new ATOM 0 HE ARG A 17 10.942 21.277 -9.031 1.00 74.72 H new ATOM 0 HH11 ARG A 17 11.157 22.848 -10.645 1.00 73.82 H new ATOM 0 HH12 ARG A 17 12.003 24.051 -10.408 1.00 73.82 H new ATOM 0 HH21 ARG A 17 12.943 23.288 -7.324 1.00 74.54 H new ATOM 0 HH22 ARG A 17 13.088 24.318 -8.390 1.00 74.54 H new ATOM 115 N VAL A 18 11.136 16.156 -5.995 1.00 54.60 N ATOM 116 CA VAL A 18 11.461 14.987 -6.803 1.00 55.39 C ATOM 117 C VAL A 18 11.647 13.840 -5.818 1.00 56.43 C ATOM 118 O VAL A 18 12.753 13.586 -5.325 1.00 56.86 O ATOM 119 CB VAL A 18 12.770 15.174 -7.586 1.00 55.21 C ATOM 120 CG1 VAL A 18 12.927 14.040 -8.586 1.00 53.01 C ATOM 121 CG2 VAL A 18 12.778 16.520 -8.273 1.00 54.28 C ATOM 0 H VAL A 18 11.644 16.258 -5.309 1.00 54.60 H new ATOM 0 HA VAL A 18 10.757 14.827 -7.451 1.00 55.39 H new ATOM 0 HB VAL A 18 13.523 15.151 -6.975 1.00 55.21 H new ATOM 0 HG11 VAL A 18 13.753 14.157 -9.081 1.00 53.01 H new ATOM 0 HG12 VAL A 18 12.950 13.193 -8.114 1.00 53.01 H new ATOM 0 HG13 VAL A 18 12.178 14.046 -9.202 1.00 53.01 H new ATOM 0 HG21 VAL A 18 13.608 16.628 -8.764 1.00 54.28 H new ATOM 0 HG22 VAL A 18 12.030 16.574 -8.888 1.00 54.28 H new ATOM 0 HG23 VAL A 18 12.702 17.223 -7.609 1.00 54.28 H new ATOM 122 N PRO A 19 10.561 13.128 -5.511 1.00 56.98 N ATOM 123 CA PRO A 19 10.670 12.021 -4.565 1.00 56.21 C ATOM 124 C PRO A 19 11.253 10.767 -5.181 1.00 56.17 C ATOM 125 O PRO A 19 11.353 10.640 -6.402 1.00 54.67 O ATOM 126 CB PRO A 19 9.220 11.795 -4.122 1.00 57.12 C ATOM 127 CG PRO A 19 8.472 13.046 -4.588 1.00 58.17 C ATOM 128 CD PRO A 19 9.159 13.369 -5.876 1.00 57.13 C ATOM 0 HA PRO A 19 11.275 12.228 -3.836 1.00 56.21 H new ATOM 0 HB2 PRO A 19 8.850 10.993 -4.523 1.00 57.12 H new ATOM 0 HB3 PRO A 19 9.158 11.685 -3.160 1.00 57.12 H new ATOM 0 HG2 PRO A 19 7.526 12.875 -4.716 1.00 58.17 H new ATOM 0 HG3 PRO A 19 8.545 13.771 -3.947 1.00 58.17 H new ATOM 0 HD2 PRO A 19 8.865 12.797 -6.603 1.00 57.13 H new ATOM 0 HD3 PRO A 19 9.004 14.285 -6.155 1.00 57.13 H new ATOM 129 N VAL A 20 11.657 9.849 -4.311 1.00 56.98 N ATOM 130 CA VAL A 20 12.162 8.559 -4.737 1.00 56.55 C ATOM 131 C VAL A 20 10.844 7.828 -5.003 1.00 57.78 C ATOM 132 O VAL A 20 10.109 7.519 -4.069 1.00 56.46 O ATOM 133 CB VAL A 20 12.920 7.848 -3.592 1.00 56.51 C ATOM 134 CG1 VAL A 20 13.320 6.436 -4.018 1.00 53.60 C ATOM 135 CG2 VAL A 20 14.135 8.668 -3.185 1.00 54.71 C ATOM 0 H VAL A 20 11.645 9.960 -3.458 1.00 56.98 H new ATOM 0 HA VAL A 20 12.784 8.600 -5.481 1.00 56.55 H new ATOM 0 HB VAL A 20 12.336 7.771 -2.822 1.00 56.51 H new ATOM 0 HG11 VAL A 20 13.794 6.001 -3.292 1.00 53.60 H new ATOM 0 HG12 VAL A 20 12.524 5.926 -4.236 1.00 53.60 H new ATOM 0 HG13 VAL A 20 13.896 6.484 -4.797 1.00 53.60 H new ATOM 0 HG21 VAL A 20 14.605 8.216 -2.467 1.00 54.71 H new ATOM 0 HG22 VAL A 20 14.728 8.768 -3.946 1.00 54.71 H new ATOM 0 HG23 VAL A 20 13.848 9.544 -2.882 1.00 54.71 H new ATOM 136 N ASP A 21 10.542 7.592 -6.277 1.00 59.86 N ATOM 137 CA ASP A 21 9.304 6.932 -6.691 1.00 62.25 C ATOM 138 C ASP A 21 8.700 5.987 -5.641 1.00 61.62 C ATOM 139 O ASP A 21 9.310 4.982 -5.270 1.00 61.74 O ATOM 140 CB ASP A 21 9.540 6.170 -8.000 1.00 65.72 C ATOM 141 CG ASP A 21 8.280 5.486 -8.510 1.00 71.41 C ATOM 142 OD1 ASP A 21 7.278 6.204 -8.747 1.00 74.54 O ATOM 143 OD2 ASP A 21 8.283 4.238 -8.670 1.00 72.28 O ATOM 0 H ASP A 21 11.054 7.812 -6.932 1.00 59.86 H new ATOM 0 HA ASP A 21 8.653 7.641 -6.812 1.00 62.25 H new ATOM 0 HB2 ASP A 21 9.866 6.785 -8.675 1.00 65.72 H new ATOM 0 HB3 ASP A 21 10.233 5.505 -7.864 1.00 65.72 H new ATOM 144 N GLY A 22 7.503 6.319 -5.161 1.00 59.69 N ATOM 145 CA GLY A 22 6.855 5.482 -4.167 1.00 57.63 C ATOM 146 C GLY A 22 7.135 5.868 -2.722 1.00 57.92 C ATOM 147 O GLY A 22 6.929 5.066 -1.800 1.00 58.86 O ATOM 0 H GLY A 22 7.058 7.016 -5.397 1.00 59.69 H new ATOM 0 HA2 GLY A 22 5.897 5.509 -4.315 1.00 57.63 H new ATOM 0 HA3 GLY A 22 7.137 4.564 -4.303 1.00 57.63 H new ATOM 148 N PHE A 23 7.604 7.095 -2.516 1.00 56.19 N ATOM 149 CA PHE A 23 7.909 7.589 -1.177 1.00 54.38 C ATOM 150 C PHE A 23 7.429 9.033 -1.049 1.00 55.16 C ATOM 151 O PHE A 23 7.714 9.879 -1.906 1.00 56.56 O ATOM 152 CB PHE A 23 9.418 7.532 -0.916 1.00 53.99 C ATOM 153 CG PHE A 23 9.951 6.149 -0.631 1.00 51.70 C ATOM 154 CD1 PHE A 23 9.861 5.602 0.647 1.00 51.26 C ATOM 155 CD2 PHE A 23 10.553 5.400 -1.639 1.00 52.22 C ATOM 156 CE1 PHE A 23 10.372 4.325 0.921 1.00 52.80 C ATOM 157 CE2 PHE A 23 11.071 4.111 -1.376 1.00 53.14 C ATOM 158 CZ PHE A 23 10.978 3.576 -0.099 1.00 52.07 C ATOM 0 H PHE A 23 7.754 7.662 -3.145 1.00 56.19 H new ATOM 0 HA PHE A 23 7.456 7.030 -0.526 1.00 54.38 H new ATOM 0 HB2 PHE A 23 9.882 7.893 -1.688 1.00 53.99 H new ATOM 0 HB3 PHE A 23 9.627 8.108 -0.164 1.00 53.99 H new ATOM 0 HD1 PHE A 23 9.457 6.090 1.328 1.00 51.26 H new ATOM 0 HD2 PHE A 23 10.615 5.753 -2.497 1.00 52.22 H new ATOM 0 HE1 PHE A 23 10.309 3.974 1.780 1.00 52.80 H new ATOM 0 HE2 PHE A 23 11.473 3.623 -2.058 1.00 53.14 H new ATOM 0 HZ PHE A 23 11.315 2.728 0.079 1.00 52.07 H new ATOM 159 N SER A 24 6.694 9.309 0.022 1.00 53.28 N ATOM 160 CA SER A 24 6.170 10.650 0.287 1.00 51.19 C ATOM 161 C SER A 24 6.713 11.116 1.646 1.00 50.05 C ATOM 162 O SER A 24 6.468 10.474 2.668 1.00 48.40 O ATOM 163 CB SER A 24 4.640 10.602 0.303 1.00 49.72 C ATOM 164 OG SER A 24 4.084 11.824 0.749 1.00 51.10 O ATOM 0 H SER A 24 6.483 8.726 0.618 1.00 53.28 H new ATOM 0 HA SER A 24 6.448 11.272 -0.403 1.00 51.19 H new ATOM 0 HB2 SER A 24 4.313 10.403 -0.588 1.00 49.72 H new ATOM 0 HB3 SER A 24 4.344 9.881 0.881 1.00 49.72 H new ATOM 0 HG SER A 24 3.246 11.768 0.746 1.00 51.10 H new ATOM 165 N ALA A 25 7.447 12.225 1.667 1.00 49.52 N ATOM 166 CA ALA A 25 8.027 12.700 2.925 1.00 50.42 C ATOM 167 C ALA A 25 7.474 14.035 3.416 1.00 50.45 C ATOM 168 O ALA A 25 7.214 14.942 2.630 1.00 52.10 O ATOM 169 CB ALA A 25 9.564 12.778 2.801 1.00 48.40 C ATOM 0 H ALA A 25 7.620 12.711 0.979 1.00 49.52 H new ATOM 0 HA ALA A 25 7.770 12.048 3.595 1.00 50.42 H new ATOM 0 HB1 ALA A 25 9.941 13.093 3.637 1.00 48.40 H new ATOM 0 HB2 ALA A 25 9.918 11.898 2.599 1.00 48.40 H new ATOM 0 HB3 ALA A 25 9.801 13.392 2.089 1.00 48.40 H new ATOM 170 N GLY A 26 7.299 14.143 4.726 1.00 49.90 N ATOM 171 CA GLY A 26 6.787 15.362 5.311 1.00 51.64 C ATOM 172 C GLY A 26 7.263 15.430 6.741 1.00 54.05 C ATOM 173 O GLY A 26 8.002 14.561 7.182 1.00 56.56 O ATOM 0 H GLY A 26 7.472 13.518 5.291 1.00 49.90 H new ATOM 0 HA2 GLY A 26 7.099 16.134 4.813 1.00 51.64 H new ATOM 0 HA3 GLY A 26 5.818 15.374 5.275 1.00 51.64 H new ATOM 174 N LEU A 27 6.844 16.451 7.474 1.00 57.52 N ATOM 175 CA LEU A 27 7.252 16.613 8.866 1.00 61.21 C ATOM 176 C LEU A 27 6.108 16.372 9.829 1.00 63.42 C ATOM 177 O LEU A 27 4.999 16.839 9.590 1.00 65.34 O ATOM 178 CB LEU A 27 7.766 18.027 9.098 1.00 62.08 C ATOM 179 CG LEU A 27 9.090 18.407 8.451 1.00 65.41 C ATOM 180 CD1 LEU A 27 9.316 19.903 8.665 1.00 66.41 C ATOM 181 CD2 LEU A 27 10.238 17.574 9.061 1.00 65.73 C ATOM 0 H LEU A 27 6.319 17.067 7.184 1.00 57.52 H new ATOM 0 HA LEU A 27 7.947 15.957 9.031 1.00 61.21 H new ATOM 0 HB2 LEU A 27 7.090 18.647 8.783 1.00 62.08 H new ATOM 0 HB3 LEU A 27 7.851 18.162 10.055 1.00 62.08 H new ATOM 0 HG LEU A 27 9.069 18.219 7.500 1.00 65.41 H new ATOM 0 HD11 LEU A 27 10.157 20.165 8.259 1.00 66.41 H new ATOM 0 HD12 LEU A 27 8.591 20.402 8.257 1.00 66.41 H new ATOM 0 HD13 LEU A 27 9.344 20.094 9.616 1.00 66.41 H new ATOM 0 HD21 LEU A 27 11.077 17.823 8.642 1.00 65.73 H new ATOM 0 HD22 LEU A 27 10.290 17.744 10.015 1.00 65.73 H new ATOM 0 HD23 LEU A 27 10.069 16.631 8.910 1.00 65.73 H new ATOM 182 N VAL A 28 6.372 15.658 10.919 1.00 65.30 N ATOM 183 CA VAL A 28 5.333 15.422 11.917 1.00 68.48 C ATOM 184 C VAL A 28 4.953 16.786 12.493 1.00 69.86 C ATOM 185 O VAL A 28 3.773 17.127 12.592 1.00 69.22 O ATOM 186 CB VAL A 28 5.840 14.524 13.066 1.00 69.85 C ATOM 187 CG1 VAL A 28 4.756 14.394 14.137 1.00 69.09 C ATOM 188 CG2 VAL A 28 6.243 13.151 12.522 1.00 69.41 C ATOM 0 H VAL A 28 7.136 15.305 11.099 1.00 65.30 H new ATOM 0 HA VAL A 28 4.580 14.973 11.501 1.00 68.48 H new ATOM 0 HB VAL A 28 6.623 14.929 13.470 1.00 69.85 H new ATOM 0 HG11 VAL A 28 5.078 13.829 14.857 1.00 69.09 H new ATOM 0 HG12 VAL A 28 4.540 15.272 14.487 1.00 69.09 H new ATOM 0 HG13 VAL A 28 3.961 13.998 13.747 1.00 69.09 H new ATOM 0 HG21 VAL A 28 6.560 12.594 13.250 1.00 69.41 H new ATOM 0 HG22 VAL A 28 5.475 12.730 12.104 1.00 69.41 H new ATOM 0 HG23 VAL A 28 6.950 13.257 11.866 1.00 69.41 H new ATOM 189 N ASP A 29 5.971 17.556 12.871 1.00 72.62 N ATOM 190 CA ASP A 29 5.782 18.898 13.414 1.00 76.20 C ATOM 191 C ASP A 29 6.526 19.873 12.494 1.00 76.64 C ATOM 192 O ASP A 29 7.748 19.801 12.348 1.00 75.79 O ATOM 193 CB ASP A 29 6.343 18.976 14.841 1.00 79.86 C ATOM 194 CG ASP A 29 6.048 20.314 15.522 1.00 83.13 C ATOM 195 OD1 ASP A 29 6.421 21.371 14.965 1.00 84.00 O ATOM 196 OD2 ASP A 29 5.444 20.308 16.620 1.00 85.15 O ATOM 0 H ASP A 29 6.794 17.313 12.819 1.00 72.62 H new ATOM 0 HA ASP A 29 4.839 19.122 13.455 1.00 76.20 H new ATOM 0 HB2 ASP A 29 5.966 18.257 15.372 1.00 79.86 H new ATOM 0 HB3 ASP A 29 7.302 18.836 14.815 1.00 79.86 H new ATOM 197 N ASP A 30 5.784 20.778 11.869 1.00 77.52 N ATOM 198 CA ASP A 30 6.375 21.742 10.948 1.00 78.90 C ATOM 199 C ASP A 30 7.524 22.596 11.474 1.00 78.82 C ATOM 200 O ASP A 30 8.238 23.221 10.690 1.00 79.13 O ATOM 201 CB ASP A 30 5.288 22.653 10.385 1.00 80.73 C ATOM 202 CG ASP A 30 4.609 22.053 9.177 1.00 83.46 C ATOM 203 OD1 ASP A 30 5.329 21.751 8.200 1.00 86.01 O ATOM 204 OD2 ASP A 30 3.370 21.878 9.201 1.00 84.84 O ATOM 0 H ASP A 30 4.932 20.852 11.964 1.00 77.52 H new ATOM 0 HA ASP A 30 6.784 21.186 10.267 1.00 78.90 H new ATOM 0 HB2 ASP A 30 4.626 22.827 11.073 1.00 80.73 H new ATOM 0 HB3 ASP A 30 5.678 23.508 10.143 1.00 80.73 H new ATOM 205 N ASN A 31 7.713 22.636 12.787 1.00 78.50 N ATOM 206 CA ASN A 31 8.802 23.431 13.345 1.00 77.42 C ATOM 207 C ASN A 31 9.915 22.553 13.915 1.00 76.15 C ATOM 208 O ASN A 31 10.712 23.004 14.738 1.00 76.11 O ATOM 209 CB ASN A 31 8.272 24.376 14.429 1.00 79.06 C ATOM 210 CG ASN A 31 7.266 25.380 13.886 1.00 80.95 C ATOM 211 OD1 ASN A 31 7.427 25.901 12.781 1.00 82.53 O ATOM 212 ND2 ASN A 31 6.230 25.667 14.667 1.00 81.85 N ATOM 0 H ASN A 31 7.232 22.218 13.365 1.00 78.50 H new ATOM 0 HA ASN A 31 9.180 23.953 12.620 1.00 77.42 H new ATOM 0 HB2 ASN A 31 7.856 23.855 15.133 1.00 79.06 H new ATOM 0 HB3 ASN A 31 9.016 24.852 14.830 1.00 79.06 H new ATOM 0 HD21 ASN A 31 5.640 26.236 14.407 1.00 81.85 H new ATOM 0 HD22 ASN A 31 6.150 25.284 15.433 1.00 81.85 H new ATOM 213 N ASP A 32 9.965 21.300 13.469 1.00 74.56 N ATOM 214 CA ASP A 32 10.979 20.351 13.927 1.00 72.81 C ATOM 215 C ASP A 32 11.449 19.431 12.799 1.00 71.70 C ATOM 216 O ASP A 32 10.934 18.321 12.615 1.00 72.56 O ATOM 217 CB ASP A 32 10.438 19.515 15.084 1.00 71.59 C ATOM 218 CG ASP A 32 11.410 18.454 15.521 1.00 71.72 C ATOM 219 OD1 ASP A 32 12.621 18.729 15.450 1.00 72.72 O ATOM 220 OD2 ASP A 32 10.975 17.358 15.940 1.00 72.97 O ATOM 0 H ASP A 32 9.414 20.976 12.894 1.00 74.56 H new ATOM 0 HA ASP A 32 11.743 20.867 14.229 1.00 72.81 H new ATOM 0 HB2 ASP A 32 10.237 20.096 15.834 1.00 71.59 H new ATOM 0 HB3 ASP A 32 9.604 19.097 14.817 1.00 71.59 H new ATOM 221 N ILE A 33 12.445 19.905 12.059 1.00 69.72 N ATOM 222 CA ILE A 33 12.998 19.180 10.924 1.00 68.05 C ATOM 223 C ILE A 33 13.680 17.850 11.262 1.00 66.87 C ATOM 224 O ILE A 33 14.220 17.195 10.375 1.00 65.92 O ATOM 225 CB ILE A 33 14.007 20.071 10.172 1.00 67.00 C ATOM 226 CG1 ILE A 33 14.211 19.548 8.750 1.00 66.08 C ATOM 227 CG2 ILE A 33 15.323 20.112 10.932 1.00 66.11 C ATOM 228 CD1 ILE A 33 12.978 19.632 7.898 1.00 66.35 C ATOM 0 H ILE A 33 12.822 20.664 12.204 1.00 69.72 H new ATOM 0 HA ILE A 33 12.229 18.958 10.376 1.00 68.05 H new ATOM 0 HB ILE A 33 13.658 20.974 10.114 1.00 67.00 H new ATOM 0 HG12 ILE A 33 14.923 20.053 8.327 1.00 66.08 H new ATOM 0 HG13 ILE A 33 14.504 18.624 8.792 1.00 66.08 H new ATOM 0 HG21 ILE A 33 15.955 20.673 10.456 1.00 66.11 H new ATOM 0 HG22 ILE A 33 15.173 20.475 11.819 1.00 66.11 H new ATOM 0 HG23 ILE A 33 15.682 19.214 11.007 1.00 66.11 H new ATOM 0 HD11 ILE A 33 13.172 19.287 7.013 1.00 66.35 H new ATOM 0 HD12 ILE A 33 12.269 19.107 8.301 1.00 66.35 H new ATOM 0 HD13 ILE A 33 12.695 20.557 7.829 1.00 66.35 H new ATOM 229 N TYR A 34 13.642 17.439 12.527 1.00 66.08 N ATOM 230 CA TYR A 34 14.288 16.191 12.930 1.00 65.66 C ATOM 231 C TYR A 34 13.381 14.959 13.040 1.00 66.14 C ATOM 232 O TYR A 34 13.860 13.869 13.373 1.00 67.65 O ATOM 233 CB TYR A 34 15.046 16.406 14.243 1.00 64.53 C ATOM 234 CG TYR A 34 16.258 17.310 14.093 1.00 66.26 C ATOM 235 CD1 TYR A 34 17.503 16.793 13.701 1.00 66.96 C ATOM 236 CD2 TYR A 34 16.153 18.691 14.284 1.00 65.60 C ATOM 237 CE1 TYR A 34 18.616 17.634 13.499 1.00 65.51 C ATOM 238 CE2 TYR A 34 17.255 19.539 14.082 1.00 65.85 C ATOM 239 CZ TYR A 34 18.480 19.006 13.688 1.00 66.37 C ATOM 240 OH TYR A 34 19.554 19.847 13.465 1.00 65.80 O ATOM 0 H TYR A 34 13.250 17.864 13.164 1.00 66.08 H new ATOM 0 HA TYR A 34 14.890 15.978 12.200 1.00 65.66 H new ATOM 0 HB2 TYR A 34 14.443 16.790 14.899 1.00 64.53 H new ATOM 0 HB3 TYR A 34 15.332 15.546 14.589 1.00 64.53 H new ATOM 0 HD1 TYR A 34 17.595 15.877 13.572 1.00 66.96 H new ATOM 0 HD2 TYR A 34 15.339 19.055 14.549 1.00 65.60 H new ATOM 0 HE1 TYR A 34 19.434 17.275 13.242 1.00 65.51 H new ATOM 0 HE2 TYR A 34 17.166 20.456 14.211 1.00 65.85 H new ATOM 0 HH TYR A 34 20.146 19.437 13.033 1.00 65.80 H new ATOM 241 N LYS A 35 12.084 15.127 12.771 1.00 65.74 N ATOM 242 CA LYS A 35 11.120 14.014 12.810 1.00 64.84 C ATOM 243 C LYS A 35 10.314 13.987 11.519 1.00 63.40 C ATOM 244 O LYS A 35 9.448 14.841 11.304 1.00 64.47 O ATOM 245 CB LYS A 35 10.144 14.160 13.973 1.00 66.32 C ATOM 246 CG LYS A 35 10.751 13.984 15.348 1.00 70.26 C ATOM 247 CD LYS A 35 9.670 14.036 16.442 1.00 72.48 C ATOM 248 CE LYS A 35 8.744 12.820 16.381 1.00 70.96 C ATOM 249 NZ LYS A 35 9.491 11.551 16.598 1.00 70.76 N ATOM 0 H LYS A 35 11.736 15.885 12.561 1.00 65.74 H new ATOM 0 HA LYS A 35 11.626 13.194 12.920 1.00 64.84 H new ATOM 0 HB2 LYS A 35 9.735 15.038 13.925 1.00 66.32 H new ATOM 0 HB3 LYS A 35 9.433 13.510 13.863 1.00 66.32 H new ATOM 0 HG2 LYS A 35 11.219 13.136 15.392 1.00 70.26 H new ATOM 0 HG3 LYS A 35 11.409 14.679 15.506 1.00 70.26 H new ATOM 0 HD2 LYS A 35 10.093 14.077 17.314 1.00 72.48 H new ATOM 0 HD3 LYS A 35 9.147 14.847 16.342 1.00 72.48 H new ATOM 0 HE2 LYS A 35 8.050 12.907 17.053 1.00 70.96 H new ATOM 0 HE3 LYS A 35 8.301 12.792 15.518 1.00 70.96 H new ATOM 0 HZ1 LYS A 35 8.918 10.897 16.788 1.00 70.76 H new ATOM 0 HZ2 LYS A 35 9.944 11.343 15.861 1.00 70.76 H new ATOM 0 HZ3 LYS A 35 10.059 11.653 17.276 1.00 70.76 H new ATOM 250 N TRP A 36 10.586 13.004 10.667 1.00 61.08 N ATOM 251 CA TRP A 36 9.887 12.888 9.389 1.00 58.48 C ATOM 252 C TRP A 36 8.840 11.790 9.363 1.00 58.18 C ATOM 253 O TRP A 36 9.035 10.715 9.937 1.00 57.23 O ATOM 254 CB TRP A 36 10.878 12.590 8.265 1.00 56.33 C ATOM 255 CG TRP A 36 11.871 13.664 7.995 1.00 55.21 C ATOM 256 CD1 TRP A 36 12.330 14.598 8.875 1.00 54.48 C ATOM 257 CD2 TRP A 36 12.578 13.884 6.769 1.00 53.28 C ATOM 258 NE1 TRP A 36 13.272 15.393 8.272 1.00 55.15 N ATOM 259 CE2 TRP A 36 13.436 14.983 6.975 1.00 53.43 C ATOM 260 CE3 TRP A 36 12.545 13.277 5.507 1.00 50.61 C ATOM 261 CZ2 TRP A 36 14.285 15.467 5.976 1.00 52.92 C ATOM 262 CZ3 TRP A 36 13.382 13.760 4.513 1.00 48.93 C ATOM 263 CH2 TRP A 36 14.230 14.852 4.749 1.00 51.94 C ATOM 0 H TRP A 36 11.173 12.392 10.809 1.00 61.08 H new ATOM 0 HA TRP A 36 9.443 13.741 9.265 1.00 58.48 H new ATOM 0 HB2 TRP A 36 11.356 11.775 8.483 1.00 56.33 H new ATOM 0 HB3 TRP A 36 10.380 12.418 7.451 1.00 56.33 H new ATOM 0 HD1 TRP A 36 12.046 14.684 9.756 1.00 54.48 H new ATOM 0 HE1 TRP A 36 13.691 16.043 8.647 1.00 55.15 H new ATOM 0 HE3 TRP A 36 11.973 12.564 5.339 1.00 50.61 H new ATOM 0 HZ2 TRP A 36 14.864 16.177 6.136 1.00 52.92 H new ATOM 0 HZ3 TRP A 36 13.381 13.354 3.677 1.00 48.93 H new ATOM 0 HH2 TRP A 36 14.768 15.167 4.059 1.00 51.94 H new ATOM 264 N GLU A 37 7.729 12.066 8.689 1.00 57.78 N ATOM 265 CA GLU A 37 6.678 11.071 8.519 1.00 58.60 C ATOM 266 C GLU A 37 6.761 10.688 7.046 1.00 55.54 C ATOM 267 O GLU A 37 6.530 11.528 6.179 1.00 55.85 O ATOM 268 CB GLU A 37 5.292 11.654 8.835 1.00 62.41 C ATOM 269 CG GLU A 37 4.992 13.007 8.184 1.00 70.26 C ATOM 270 CD GLU A 37 3.534 13.466 8.370 1.00 75.07 C ATOM 271 OE1 GLU A 37 2.937 13.186 9.446 1.00 76.12 O ATOM 272 OE2 GLU A 37 2.997 14.124 7.438 1.00 76.03 O ATOM 0 H GLU A 37 7.564 12.826 8.321 1.00 57.78 H new ATOM 0 HA GLU A 37 6.796 10.317 9.118 1.00 58.60 H new ATOM 0 HB2 GLU A 37 4.617 11.018 8.552 1.00 62.41 H new ATOM 0 HB3 GLU A 37 5.208 11.748 9.797 1.00 62.41 H new ATOM 0 HG2 GLU A 37 5.585 13.677 8.558 1.00 70.26 H new ATOM 0 HG3 GLU A 37 5.188 12.953 7.236 1.00 70.26 H new ATOM 273 N VAL A 38 7.111 9.442 6.752 1.00 52.47 N ATOM 274 CA VAL A 38 7.214 9.037 5.352 1.00 51.57 C ATOM 275 C VAL A 38 6.272 7.915 4.917 1.00 49.96 C ATOM 276 O VAL A 38 6.188 6.874 5.559 1.00 50.16 O ATOM 277 CB VAL A 38 8.675 8.626 4.989 1.00 51.65 C ATOM 278 CG1 VAL A 38 9.662 9.597 5.639 1.00 48.89 C ATOM 279 CG2 VAL A 38 8.953 7.186 5.411 1.00 50.91 C ATOM 0 H VAL A 38 7.289 8.829 7.328 1.00 52.47 H new ATOM 0 HA VAL A 38 6.939 9.830 4.866 1.00 51.57 H new ATOM 0 HB VAL A 38 8.787 8.673 4.027 1.00 51.65 H new ATOM 0 HG11 VAL A 38 10.569 9.338 5.411 1.00 48.89 H new ATOM 0 HG12 VAL A 38 9.492 10.496 5.316 1.00 48.89 H new ATOM 0 HG13 VAL A 38 9.552 9.574 6.602 1.00 48.89 H new ATOM 0 HG21 VAL A 38 9.864 6.950 5.177 1.00 50.91 H new ATOM 0 HG22 VAL A 38 8.833 7.101 6.370 1.00 50.91 H new ATOM 0 HG23 VAL A 38 8.338 6.590 4.955 1.00 50.91 H new ATOM 280 N LEU A 39 5.559 8.144 3.820 1.00 48.73 N ATOM 281 CA LEU A 39 4.650 7.146 3.276 1.00 48.80 C ATOM 282 C LEU A 39 5.470 6.220 2.397 1.00 49.16 C ATOM 283 O LEU A 39 6.120 6.662 1.450 1.00 50.23 O ATOM 284 CB LEU A 39 3.564 7.797 2.412 1.00 50.00 C ATOM 285 CG LEU A 39 2.609 6.813 1.719 1.00 51.23 C ATOM 286 CD1 LEU A 39 1.759 6.113 2.788 1.00 51.93 C ATOM 287 CD2 LEU A 39 1.719 7.535 0.708 1.00 49.65 C ATOM 0 H LEU A 39 5.589 8.878 3.373 1.00 48.73 H new ATOM 0 HA LEU A 39 4.218 6.673 4.004 1.00 48.80 H new ATOM 0 HB2 LEU A 39 3.042 8.395 2.969 1.00 50.00 H new ATOM 0 HB3 LEU A 39 3.993 8.342 1.734 1.00 50.00 H new ATOM 0 HG LEU A 39 3.126 6.153 1.231 1.00 51.23 H new ATOM 0 HD11 LEU A 39 1.152 5.489 2.361 1.00 51.93 H new ATOM 0 HD12 LEU A 39 2.339 5.633 3.399 1.00 51.93 H new ATOM 0 HD13 LEU A 39 1.248 6.775 3.280 1.00 51.93 H new ATOM 0 HD21 LEU A 39 1.126 6.895 0.284 1.00 49.65 H new ATOM 0 HD22 LEU A 39 1.193 8.210 1.164 1.00 49.65 H new ATOM 0 HD23 LEU A 39 2.273 7.958 0.033 1.00 49.65 H new ATOM 288 N VAL A 40 5.448 4.933 2.702 1.00 49.78 N ATOM 289 CA VAL A 40 6.208 3.985 1.904 1.00 49.71 C ATOM 290 C VAL A 40 5.261 3.077 1.142 1.00 50.02 C ATOM 291 O VAL A 40 4.636 2.202 1.725 1.00 51.22 O ATOM 292 CB VAL A 40 7.114 3.125 2.787 1.00 47.20 C ATOM 293 CG1 VAL A 40 7.912 2.191 1.939 1.00 45.92 C ATOM 294 CG2 VAL A 40 8.018 4.008 3.603 1.00 45.52 C ATOM 0 H VAL A 40 5.007 4.591 3.356 1.00 49.78 H new ATOM 0 HA VAL A 40 6.758 4.490 1.285 1.00 49.71 H new ATOM 0 HB VAL A 40 6.568 2.599 3.393 1.00 47.20 H new ATOM 0 HG11 VAL A 40 8.484 1.649 2.504 1.00 45.92 H new ATOM 0 HG12 VAL A 40 7.312 1.615 1.439 1.00 45.92 H new ATOM 0 HG13 VAL A 40 8.459 2.701 1.321 1.00 45.92 H new ATOM 0 HG21 VAL A 40 8.590 3.458 4.161 1.00 45.52 H new ATOM 0 HG22 VAL A 40 8.566 4.546 3.011 1.00 45.52 H new ATOM 0 HG23 VAL A 40 7.482 4.590 4.165 1.00 45.52 H new ATOM 295 N ILE A 41 5.150 3.294 -0.162 1.00 50.70 N ATOM 296 CA ILE A 41 4.273 2.473 -0.975 1.00 53.07 C ATOM 297 C ILE A 41 5.002 1.193 -1.376 1.00 53.99 C ATOM 298 O ILE A 41 6.120 1.250 -1.889 1.00 55.28 O ATOM 299 CB ILE A 41 3.814 3.232 -2.254 1.00 54.16 C ATOM 300 CG1 ILE A 41 3.074 4.512 -1.853 1.00 55.06 C ATOM 301 CG2 ILE A 41 2.897 2.337 -3.107 1.00 52.27 C ATOM 302 CD1 ILE A 41 2.370 5.209 -3.000 1.00 56.96 C ATOM 0 H ILE A 41 5.572 3.908 -0.591 1.00 50.70 H new ATOM 0 HA ILE A 41 3.486 2.258 -0.451 1.00 53.07 H new ATOM 0 HB ILE A 41 4.594 3.464 -2.781 1.00 54.16 H new ATOM 0 HG12 ILE A 41 2.420 4.295 -1.170 1.00 55.06 H new ATOM 0 HG13 ILE A 41 3.708 5.128 -1.454 1.00 55.06 H new ATOM 0 HG21 ILE A 41 2.618 2.821 -3.900 1.00 52.27 H new ATOM 0 HG22 ILE A 41 3.379 1.537 -3.370 1.00 52.27 H new ATOM 0 HG23 ILE A 41 2.115 2.088 -2.590 1.00 52.27 H new ATOM 0 HD11 ILE A 41 1.926 6.006 -2.671 1.00 56.96 H new ATOM 0 HD12 ILE A 41 3.020 5.457 -3.676 1.00 56.96 H new ATOM 0 HD13 ILE A 41 1.712 4.611 -3.388 1.00 56.96 H new ATOM 303 N GLY A 42 4.369 0.045 -1.135 1.00 54.60 N ATOM 304 CA GLY A 42 4.974 -1.229 -1.486 1.00 56.59 C ATOM 305 C GLY A 42 5.420 -1.295 -2.937 1.00 57.79 C ATOM 306 O GLY A 42 4.606 -1.133 -3.852 1.00 59.00 O ATOM 0 H GLY A 42 3.592 -0.013 -0.771 1.00 54.60 H new ATOM 0 HA2 GLY A 42 5.738 -1.388 -0.910 1.00 56.59 H new ATOM 0 HA3 GLY A 42 4.338 -1.941 -1.316 1.00 56.59 H new ATOM 307 N PRO A 43 6.713 -1.535 -3.184 1.00 58.28 N ATOM 308 CA PRO A 43 7.219 -1.608 -4.555 1.00 59.75 C ATOM 309 C PRO A 43 6.523 -2.690 -5.357 1.00 62.60 C ATOM 310 O PRO A 43 6.101 -3.708 -4.816 1.00 59.85 O ATOM 311 CB PRO A 43 8.708 -1.915 -4.369 1.00 57.84 C ATOM 312 CG PRO A 43 9.021 -1.311 -3.037 1.00 57.53 C ATOM 313 CD PRO A 43 7.806 -1.686 -2.209 1.00 59.49 C ATOM 0 HA PRO A 43 7.061 -0.792 -5.055 1.00 59.75 H new ATOM 0 HB2 PRO A 43 8.880 -2.869 -4.378 1.00 57.84 H new ATOM 0 HB3 PRO A 43 9.245 -1.523 -5.075 1.00 57.84 H new ATOM 0 HG2 PRO A 43 9.839 -1.672 -2.661 1.00 57.53 H new ATOM 0 HG3 PRO A 43 9.135 -0.349 -3.095 1.00 57.53 H new ATOM 0 HD2 PRO A 43 7.865 -2.592 -1.867 1.00 59.49 H new ATOM 0 HD3 PRO A 43 7.693 -1.101 -1.444 1.00 59.49 H new ATOM 314 N PRO A 44 6.394 -2.477 -6.670 1.00 67.45 N ATOM 315 CA PRO A 44 5.747 -3.451 -7.553 1.00 70.05 C ATOM 316 C PRO A 44 6.626 -4.689 -7.766 1.00 72.44 C ATOM 317 O PRO A 44 7.853 -4.586 -7.869 1.00 73.53 O ATOM 318 CB PRO A 44 5.538 -2.657 -8.840 1.00 70.03 C ATOM 319 CG PRO A 44 6.729 -1.735 -8.849 1.00 70.30 C ATOM 320 CD PRO A 44 6.776 -1.260 -7.414 1.00 68.53 C ATOM 0 HA PRO A 44 4.919 -3.807 -7.195 1.00 70.05 H new ATOM 0 HB2 PRO A 44 5.520 -3.232 -9.621 1.00 70.03 H new ATOM 0 HB3 PRO A 44 4.701 -2.166 -8.830 1.00 70.03 H new ATOM 0 HG2 PRO A 44 7.543 -2.197 -9.105 1.00 70.30 H new ATOM 0 HG3 PRO A 44 6.613 -0.999 -9.471 1.00 70.30 H new ATOM 0 HD2 PRO A 44 7.659 -0.945 -7.165 1.00 68.53 H new ATOM 0 HD3 PRO A 44 6.159 -0.529 -7.254 1.00 68.53 H new ATOM 321 N ASP A 45 5.986 -5.853 -7.828 1.00 73.79 N ATOM 322 CA ASP A 45 6.676 -7.123 -8.029 1.00 74.17 C ATOM 323 C ASP A 45 7.352 -7.587 -6.752 1.00 73.15 C ATOM 324 O ASP A 45 8.408 -8.227 -6.783 1.00 73.22 O ATOM 325 CB ASP A 45 7.697 -7.018 -9.170 1.00 75.79 C ATOM 326 CG ASP A 45 7.037 -6.950 -10.548 1.00 78.58 C ATOM 327 OD1 ASP A 45 7.779 -6.948 -11.554 1.00 81.12 O ATOM 328 OD2 ASP A 45 5.786 -6.900 -10.635 1.00 79.80 O ATOM 0 H ASP A 45 5.133 -5.928 -7.754 1.00 73.79 H new ATOM 0 HA ASP A 45 6.010 -7.784 -8.275 1.00 74.17 H new ATOM 0 HB2 ASP A 45 8.244 -6.228 -9.038 1.00 75.79 H new ATOM 0 HB3 ASP A 45 8.292 -7.783 -9.138 1.00 75.79 H new ATOM 329 N THR A 46 6.729 -7.239 -5.631 1.00 71.48 N ATOM 330 CA THR A 46 7.200 -7.628 -4.307 1.00 70.72 C ATOM 331 C THR A 46 5.908 -7.922 -3.555 1.00 70.67 C ATOM 332 O THR A 46 4.842 -7.462 -3.965 1.00 70.94 O ATOM 333 CB THR A 46 7.976 -6.483 -3.571 1.00 69.00 C ATOM 334 OG1 THR A 46 7.047 -5.539 -3.032 1.00 68.58 O ATOM 335 CG2 THR A 46 8.915 -5.756 -4.522 1.00 66.77 C ATOM 0 H THR A 46 6.012 -6.764 -5.618 1.00 71.48 H new ATOM 0 HA THR A 46 7.823 -8.370 -4.358 1.00 70.72 H new ATOM 0 HB THR A 46 8.499 -6.886 -2.860 1.00 69.00 H new ATOM 0 HG1 THR A 46 6.729 -5.072 -3.654 1.00 68.58 H new ATOM 0 HG21 THR A 46 9.382 -5.054 -4.042 1.00 66.77 H new ATOM 0 HG22 THR A 46 9.560 -6.384 -4.883 1.00 66.77 H new ATOM 0 HG23 THR A 46 8.403 -5.366 -5.247 1.00 66.77 H new ATOM 336 N LEU A 47 5.990 -8.689 -2.474 1.00 70.46 N ATOM 337 CA LEU A 47 4.799 -9.022 -1.702 1.00 70.19 C ATOM 338 C LEU A 47 4.141 -7.766 -1.159 1.00 69.94 C ATOM 339 O LEU A 47 2.947 -7.747 -0.822 1.00 69.83 O ATOM 340 CB LEU A 47 5.156 -9.961 -0.557 1.00 70.09 C ATOM 341 CG LEU A 47 5.669 -11.312 -1.041 1.00 70.55 C ATOM 342 CD1 LEU A 47 6.002 -12.173 0.166 1.00 73.33 C ATOM 343 CD2 LEU A 47 4.616 -11.977 -1.926 1.00 67.99 C ATOM 0 H LEU A 47 6.722 -9.025 -2.172 1.00 70.46 H new ATOM 0 HA LEU A 47 4.171 -9.468 -2.291 1.00 70.19 H new ATOM 0 HB2 LEU A 47 5.832 -9.543 -0.000 1.00 70.09 H new ATOM 0 HB3 LEU A 47 4.374 -10.097 0.000 1.00 70.09 H new ATOM 0 HG LEU A 47 6.473 -11.197 -1.572 1.00 70.55 H new ATOM 0 HD11 LEU A 47 6.330 -13.036 -0.132 1.00 73.33 H new ATOM 0 HD12 LEU A 47 6.684 -11.735 0.698 1.00 73.33 H new ATOM 0 HD13 LEU A 47 5.205 -12.299 0.704 1.00 73.33 H new ATOM 0 HD21 LEU A 47 4.946 -12.836 -2.232 1.00 67.99 H new ATOM 0 HD22 LEU A 47 3.801 -12.107 -1.417 1.00 67.99 H new ATOM 0 HD23 LEU A 47 4.432 -11.411 -2.692 1.00 67.99 H new ATOM 344 N TYR A 48 4.932 -6.711 -1.069 1.00 68.30 N ATOM 345 CA TYR A 48 4.422 -5.446 -0.596 1.00 67.80 C ATOM 346 C TYR A 48 4.198 -4.684 -1.895 1.00 69.49 C ATOM 347 O TYR A 48 5.145 -4.152 -2.474 1.00 73.07 O ATOM 348 CB TYR A 48 5.478 -4.779 0.286 1.00 63.45 C ATOM 349 CG TYR A 48 6.134 -5.749 1.251 1.00 60.76 C ATOM 350 CD1 TYR A 48 7.077 -6.682 0.808 1.00 58.30 C ATOM 351 CD2 TYR A 48 5.802 -5.747 2.607 1.00 59.32 C ATOM 352 CE1 TYR A 48 7.668 -7.582 1.692 1.00 55.00 C ATOM 353 CE2 TYR A 48 6.387 -6.645 3.499 1.00 55.73 C ATOM 354 CZ TYR A 48 7.318 -7.559 3.036 1.00 55.72 C ATOM 355 OH TYR A 48 7.884 -8.459 3.921 1.00 56.44 O ATOM 0 H TYR A 48 5.766 -6.709 -1.277 1.00 68.30 H new ATOM 0 HA TYR A 48 3.619 -5.500 -0.055 1.00 67.80 H new ATOM 0 HB2 TYR A 48 6.159 -4.379 -0.278 1.00 63.45 H new ATOM 0 HB3 TYR A 48 5.066 -4.058 0.788 1.00 63.45 H new ATOM 0 HD1 TYR A 48 7.313 -6.702 -0.091 1.00 58.30 H new ATOM 0 HD2 TYR A 48 5.178 -5.134 2.922 1.00 59.32 H new ATOM 0 HE1 TYR A 48 8.295 -8.196 1.383 1.00 55.00 H new ATOM 0 HE2 TYR A 48 6.153 -6.630 4.399 1.00 55.73 H new ATOM 0 HH TYR A 48 7.401 -8.521 4.605 1.00 56.44 H new ATOM 356 N GLU A 49 2.961 -4.671 -2.381 1.00 69.15 N ATOM 357 CA GLU A 49 2.659 -3.987 -3.629 1.00 69.28 C ATOM 358 C GLU A 49 1.702 -2.824 -3.469 1.00 70.68 C ATOM 359 O GLU A 49 2.007 -1.694 -3.888 1.00 73.78 O ATOM 360 CB GLU A 49 2.080 -4.954 -4.646 1.00 70.22 C ATOM 361 CG GLU A 49 3.077 -5.466 -5.657 1.00 72.72 C ATOM 362 CD GLU A 49 2.507 -5.461 -7.070 1.00 74.23 C ATOM 363 OE1 GLU A 49 2.881 -6.345 -7.870 1.00 76.60 O ATOM 364 OE2 GLU A 49 1.690 -4.566 -7.383 1.00 73.46 O ATOM 0 H GLU A 49 2.287 -5.050 -2.005 1.00 69.15 H new ATOM 0 HA GLU A 49 3.506 -3.630 -3.938 1.00 69.28 H new ATOM 0 HB2 GLU A 49 1.696 -5.710 -4.175 1.00 70.22 H new ATOM 0 HB3 GLU A 49 1.355 -4.515 -5.117 1.00 70.22 H new ATOM 0 HG2 GLU A 49 3.876 -4.917 -5.629 1.00 72.72 H new ATOM 0 HG3 GLU A 49 3.344 -6.368 -5.419 1.00 72.72 H new ATOM 365 N GLY A 50 0.542 -3.090 -2.877 1.00 67.60 N ATOM 366 CA GLY A 50 -0.428 -2.026 -2.689 1.00 64.51 C ATOM 367 C GLY A 50 -0.363 -1.470 -1.285 1.00 61.39 C ATOM 368 O GLY A 50 -1.307 -0.855 -0.802 1.00 61.61 O ATOM 0 H GLY A 50 0.303 -3.863 -2.584 1.00 67.60 H new ATOM 0 HA2 GLY A 50 -0.262 -1.316 -3.329 1.00 64.51 H new ATOM 0 HA3 GLY A 50 -1.320 -2.363 -2.865 1.00 64.51 H new ATOM 369 N GLY A 51 0.766 -1.675 -0.629 1.00 58.51 N ATOM 370 CA GLY A 51 0.893 -1.206 0.729 1.00 57.48 C ATOM 371 C GLY A 51 1.195 0.264 0.923 1.00 55.32 C ATOM 372 O GLY A 51 2.057 0.828 0.259 1.00 53.20 O ATOM 0 H GLY A 51 1.457 -2.076 -0.948 1.00 58.51 H new ATOM 0 HA2 GLY A 51 0.067 -1.408 1.196 1.00 57.48 H new ATOM 0 HA3 GLY A 51 1.595 -1.717 1.160 1.00 57.48 H new ATOM 373 N PHE A 52 0.465 0.880 1.845 1.00 54.41 N ATOM 374 CA PHE A 52 0.669 2.275 2.178 1.00 56.02 C ATOM 375 C PHE A 52 1.214 2.309 3.609 1.00 55.81 C ATOM 376 O PHE A 52 0.520 2.725 4.540 1.00 55.97 O ATOM 377 CB PHE A 52 -0.652 3.057 2.079 1.00 56.30 C ATOM 378 CG PHE A 52 -1.180 3.173 0.681 1.00 55.71 C ATOM 379 CD1 PHE A 52 -1.809 2.094 0.068 1.00 58.13 C ATOM 380 CD2 PHE A 52 -0.990 4.336 -0.054 1.00 55.12 C ATOM 381 CE1 PHE A 52 -2.238 2.172 -1.276 1.00 56.76 C ATOM 382 CE2 PHE A 52 -1.411 4.421 -1.389 1.00 54.96 C ATOM 383 CZ PHE A 52 -2.034 3.337 -1.997 1.00 54.93 C ATOM 0 H PHE A 52 -0.162 0.498 2.293 1.00 54.41 H new ATOM 0 HA PHE A 52 1.290 2.692 1.561 1.00 56.02 H new ATOM 0 HB2 PHE A 52 -1.319 2.622 2.633 1.00 56.30 H new ATOM 0 HB3 PHE A 52 -0.520 3.947 2.441 1.00 56.30 H new ATOM 0 HD1 PHE A 52 -1.949 1.311 0.549 1.00 58.13 H new ATOM 0 HD2 PHE A 52 -0.578 5.068 0.345 1.00 55.12 H new ATOM 0 HE1 PHE A 52 -2.656 1.443 -1.675 1.00 56.76 H new ATOM 0 HE2 PHE A 52 -1.273 5.205 -1.869 1.00 54.96 H new ATOM 0 HZ PHE A 52 -2.312 3.394 -2.883 1.00 54.93 H new ATOM 384 N PHE A 53 2.460 1.868 3.774 1.00 55.26 N ATOM 385 CA PHE A 53 3.092 1.823 5.093 1.00 56.60 C ATOM 386 C PHE A 53 3.702 3.140 5.573 1.00 55.51 C ATOM 387 O PHE A 53 4.667 3.642 4.992 1.00 55.00 O ATOM 388 CB PHE A 53 4.167 0.738 5.120 1.00 56.85 C ATOM 389 CG PHE A 53 3.733 -0.556 4.509 1.00 56.07 C ATOM 390 CD1 PHE A 53 3.952 -0.811 3.158 1.00 56.15 C ATOM 391 CD2 PHE A 53 3.105 -1.524 5.282 1.00 55.10 C ATOM 392 CE1 PHE A 53 3.547 -2.018 2.587 1.00 55.81 C ATOM 393 CE2 PHE A 53 2.695 -2.729 4.723 1.00 54.24 C ATOM 394 CZ PHE A 53 2.917 -2.977 3.376 1.00 54.72 C ATOM 0 H PHE A 53 2.959 1.589 3.132 1.00 55.26 H new ATOM 0 HA PHE A 53 2.368 1.627 5.708 1.00 56.60 H new ATOM 0 HB2 PHE A 53 4.952 1.061 4.651 1.00 56.85 H new ATOM 0 HB3 PHE A 53 4.432 0.579 6.040 1.00 56.85 H new ATOM 0 HD1 PHE A 53 4.372 -0.170 2.631 1.00 56.15 H new ATOM 0 HD2 PHE A 53 2.957 -1.364 6.186 1.00 55.10 H new ATOM 0 HE1 PHE A 53 3.697 -2.181 1.684 1.00 55.81 H new ATOM 0 HE2 PHE A 53 2.273 -3.368 5.251 1.00 54.24 H new ATOM 0 HZ PHE A 53 2.645 -3.783 3.000 1.00 54.72 H new ATOM 395 N LYS A 54 3.134 3.678 6.650 1.00 55.36 N ATOM 396 CA LYS A 54 3.588 4.936 7.237 1.00 55.98 C ATOM 397 C LYS A 54 4.831 4.688 8.080 1.00 55.74 C ATOM 398 O LYS A 54 4.938 3.657 8.727 1.00 53.97 O ATOM 399 CB LYS A 54 2.464 5.544 8.095 1.00 57.29 C ATOM 400 CG LYS A 54 1.182 5.856 7.290 1.00 62.83 C ATOM 401 CD LYS A 54 0.010 6.404 8.138 1.00 65.43 C ATOM 402 CE LYS A 54 -0.681 5.312 8.966 1.00 69.12 C ATOM 403 NZ LYS A 54 -1.800 5.835 9.813 1.00 70.49 N ATOM 0 H LYS A 54 2.470 3.321 7.063 1.00 55.36 H new ATOM 0 HA LYS A 54 3.812 5.562 6.531 1.00 55.98 H new ATOM 0 HB2 LYS A 54 2.246 4.930 8.814 1.00 57.29 H new ATOM 0 HB3 LYS A 54 2.786 6.361 8.508 1.00 57.29 H new ATOM 0 HG2 LYS A 54 1.397 6.502 6.599 1.00 62.83 H new ATOM 0 HG3 LYS A 54 0.891 5.047 6.841 1.00 62.83 H new ATOM 0 HD2 LYS A 54 0.341 7.095 8.733 1.00 65.43 H new ATOM 0 HD3 LYS A 54 -0.641 6.822 7.552 1.00 65.43 H new ATOM 0 HE2 LYS A 54 -1.027 4.631 8.368 1.00 69.12 H new ATOM 0 HE3 LYS A 54 -0.025 4.882 9.536 1.00 69.12 H new ATOM 0 HZ1 LYS A 54 -2.165 5.164 10.270 1.00 70.49 H new ATOM 0 HZ2 LYS A 54 -1.484 6.443 10.381 1.00 70.49 H new ATOM 0 HZ3 LYS A 54 -2.417 6.209 9.292 1.00 70.49 H new ATOM 404 N ALA A 55 5.783 5.615 8.068 1.00 55.81 N ATOM 405 CA ALA A 55 6.996 5.424 8.864 1.00 55.87 C ATOM 406 C ALA A 55 7.567 6.744 9.371 1.00 55.10 C ATOM 407 O ALA A 55 7.293 7.819 8.827 1.00 55.95 O ATOM 408 CB ALA A 55 8.055 4.665 8.049 1.00 54.24 C ATOM 0 H ALA A 55 5.751 6.347 7.617 1.00 55.81 H new ATOM 0 HA ALA A 55 6.750 4.898 9.641 1.00 55.87 H new ATOM 0 HB1 ALA A 55 8.853 4.545 8.587 1.00 54.24 H new ATOM 0 HB2 ALA A 55 7.705 3.797 7.792 1.00 54.24 H new ATOM 0 HB3 ALA A 55 8.276 5.173 7.253 1.00 54.24 H new ATOM 409 N ILE A 56 8.374 6.659 10.416 1.00 54.01 N ATOM 410 CA ILE A 56 8.963 7.852 10.979 1.00 52.87 C ATOM 411 C ILE A 56 10.467 7.775 11.079 1.00 54.04 C ATOM 412 O ILE A 56 11.024 6.787 11.570 1.00 53.11 O ATOM 413 CB ILE A 56 8.376 8.146 12.350 1.00 52.63 C ATOM 414 CG1 ILE A 56 6.919 8.579 12.174 1.00 53.22 C ATOM 415 CG2 ILE A 56 9.212 9.204 13.062 1.00 51.32 C ATOM 416 CD1 ILE A 56 6.234 9.002 13.440 1.00 55.05 C ATOM 0 H ILE A 56 8.590 5.925 10.809 1.00 54.01 H new ATOM 0 HA ILE A 56 8.749 8.574 10.368 1.00 52.87 H new ATOM 0 HB ILE A 56 8.394 7.352 12.907 1.00 52.63 H new ATOM 0 HG12 ILE A 56 6.887 9.314 11.542 1.00 53.22 H new ATOM 0 HG13 ILE A 56 6.421 7.845 11.781 1.00 53.22 H new ATOM 0 HG21 ILE A 56 8.830 9.385 13.935 1.00 51.32 H new ATOM 0 HG22 ILE A 56 10.121 8.882 13.168 1.00 51.32 H new ATOM 0 HG23 ILE A 56 9.218 10.020 12.537 1.00 51.32 H new ATOM 0 HD11 ILE A 56 5.320 9.260 13.243 1.00 55.05 H new ATOM 0 HD12 ILE A 56 6.233 8.264 14.070 1.00 55.05 H new ATOM 0 HD13 ILE A 56 6.706 9.756 13.827 1.00 55.05 H new ATOM 417 N LEU A 57 11.112 8.831 10.582 1.00 55.43 N ATOM 418 CA LEU A 57 12.566 8.947 10.597 1.00 55.70 C ATOM 419 C LEU A 57 12.997 9.918 11.682 1.00 56.60 C ATOM 420 O LEU A 57 12.534 11.057 11.730 1.00 55.12 O ATOM 421 CB LEU A 57 13.084 9.448 9.247 1.00 53.57 C ATOM 422 CG LEU A 57 13.133 8.480 8.068 1.00 53.19 C ATOM 423 CD1 LEU A 57 13.439 9.249 6.808 1.00 49.49 C ATOM 424 CD2 LEU A 57 14.188 7.418 8.308 1.00 52.53 C ATOM 0 H LEU A 57 10.713 9.504 10.225 1.00 55.43 H new ATOM 0 HA LEU A 57 12.937 8.068 10.773 1.00 55.70 H new ATOM 0 HB2 LEU A 57 12.534 10.202 8.984 1.00 53.57 H new ATOM 0 HB3 LEU A 57 13.982 9.787 9.385 1.00 53.57 H new ATOM 0 HG LEU A 57 12.274 8.040 7.974 1.00 53.19 H new ATOM 0 HD11 LEU A 57 13.471 8.638 6.055 1.00 49.49 H new ATOM 0 HD12 LEU A 57 12.747 9.911 6.657 1.00 49.49 H new ATOM 0 HD13 LEU A 57 14.296 9.693 6.900 1.00 49.49 H new ATOM 0 HD21 LEU A 57 14.211 6.808 7.554 1.00 52.53 H new ATOM 0 HD22 LEU A 57 15.055 7.840 8.409 1.00 52.53 H new ATOM 0 HD23 LEU A 57 13.973 6.925 9.115 1.00 52.53 H new ATOM 425 N ASP A 58 13.876 9.456 12.559 1.00 59.22 N ATOM 426 CA ASP A 58 14.396 10.292 13.632 1.00 62.19 C ATOM 427 C ASP A 58 15.831 10.645 13.282 1.00 63.26 C ATOM 428 O ASP A 58 16.675 9.752 13.162 1.00 63.60 O ATOM 429 CB ASP A 58 14.359 9.530 14.954 1.00 63.01 C ATOM 430 CG ASP A 58 12.957 9.402 15.510 1.00 64.24 C ATOM 431 OD1 ASP A 58 12.470 10.374 16.122 1.00 65.75 O ATOM 432 OD2 ASP A 58 12.337 8.337 15.324 1.00 64.48 O ATOM 0 H ASP A 58 14.187 8.654 12.550 1.00 59.22 H new ATOM 0 HA ASP A 58 13.859 11.094 13.728 1.00 62.19 H new ATOM 0 HB2 ASP A 58 14.734 8.645 14.824 1.00 63.01 H new ATOM 0 HB3 ASP A 58 14.920 9.984 15.602 1.00 63.01 H new ATOM 433 N PHE A 59 16.108 11.934 13.103 1.00 62.98 N ATOM 434 CA PHE A 59 17.464 12.359 12.768 1.00 64.90 C ATOM 435 C PHE A 59 18.190 12.975 13.957 1.00 66.76 C ATOM 436 O PHE A 59 17.679 13.897 14.604 1.00 65.36 O ATOM 437 CB PHE A 59 17.464 13.400 11.640 1.00 65.30 C ATOM 438 CG PHE A 59 16.908 12.906 10.342 1.00 64.76 C ATOM 439 CD1 PHE A 59 15.531 12.885 10.120 1.00 63.18 C ATOM 440 CD2 PHE A 59 17.760 12.455 9.338 1.00 62.68 C ATOM 441 CE1 PHE A 59 15.014 12.431 8.910 1.00 61.68 C ATOM 442 CE2 PHE A 59 17.252 11.999 8.125 1.00 62.31 C ATOM 443 CZ PHE A 59 15.876 11.983 7.911 1.00 61.73 C ATOM 0 H PHE A 59 15.534 12.571 13.170 1.00 62.98 H new ATOM 0 HA PHE A 59 17.925 11.553 12.488 1.00 64.90 H new ATOM 0 HB2 PHE A 59 16.950 14.171 11.927 1.00 65.30 H new ATOM 0 HB3 PHE A 59 18.374 13.703 11.495 1.00 65.30 H new ATOM 0 HD1 PHE A 59 14.953 13.177 10.787 1.00 63.18 H new ATOM 0 HD2 PHE A 59 18.679 12.458 9.479 1.00 62.68 H new ATOM 0 HE1 PHE A 59 14.095 12.427 8.769 1.00 61.68 H new ATOM 0 HE2 PHE A 59 17.830 11.706 7.459 1.00 62.31 H new ATOM 0 HZ PHE A 59 15.533 11.674 7.103 1.00 61.73 H new ATOM 444 N PRO A 60 19.404 12.483 14.253 1.00 69.22 N ATOM 445 CA PRO A 60 20.182 13.021 15.371 1.00 70.75 C ATOM 446 C PRO A 60 20.521 14.488 15.094 1.00 72.62 C ATOM 447 O PRO A 60 20.296 14.990 13.991 1.00 71.86 O ATOM 448 CB PRO A 60 21.422 12.139 15.381 1.00 69.19 C ATOM 449 CG PRO A 60 21.597 11.806 13.943 1.00 69.76 C ATOM 450 CD PRO A 60 20.183 11.468 13.524 1.00 70.30 C ATOM 0 HA PRO A 60 19.722 13.011 16.225 1.00 70.75 H new ATOM 0 HB2 PRO A 60 22.193 12.606 15.739 1.00 69.19 H new ATOM 0 HB3 PRO A 60 21.295 11.344 15.922 1.00 69.19 H new ATOM 0 HG2 PRO A 60 21.957 12.552 13.439 1.00 69.76 H new ATOM 0 HG3 PRO A 60 22.202 11.059 13.814 1.00 69.76 H new ATOM 0 HD2 PRO A 60 20.062 11.536 12.564 1.00 70.30 H new ATOM 0 HD3 PRO A 60 19.934 10.566 13.778 1.00 70.30 H new ATOM 451 N ARG A 61 21.064 15.166 16.097 1.00 74.57 N ATOM 452 CA ARG A 61 21.427 16.570 15.959 1.00 75.89 C ATOM 453 C ARG A 61 22.614 16.751 15.004 1.00 75.48 C ATOM 454 O ARG A 61 22.790 17.818 14.413 1.00 74.97 O ATOM 455 CB ARG A 61 21.755 17.157 17.341 1.00 77.30 C ATOM 456 CG ARG A 61 20.659 16.952 18.397 1.00 78.58 C ATOM 457 CD ARG A 61 19.293 17.469 17.930 1.00 81.61 C ATOM 458 NE ARG A 61 18.283 17.381 18.985 1.00 83.90 N ATOM 459 CZ ARG A 61 16.975 17.560 18.803 1.00 83.65 C ATOM 460 NH1 ARG A 61 16.500 17.836 17.596 1.00 82.67 N ATOM 461 NH2 ARG A 61 16.141 17.469 19.833 1.00 82.88 N ATOM 0 H ARG A 61 21.231 14.829 16.870 1.00 74.57 H new ATOM 0 HA ARG A 61 20.672 17.045 15.579 1.00 75.89 H new ATOM 0 HB2 ARG A 61 22.577 16.756 17.663 1.00 77.30 H new ATOM 0 HB3 ARG A 61 21.922 18.108 17.245 1.00 77.30 H new ATOM 0 HG2 ARG A 61 20.590 16.008 18.608 1.00 78.58 H new ATOM 0 HG3 ARG A 61 20.912 17.408 19.215 1.00 78.58 H new ATOM 0 HD2 ARG A 61 19.379 18.391 17.642 1.00 81.61 H new ATOM 0 HD3 ARG A 61 19.000 16.957 17.160 1.00 81.61 H new ATOM 0 HE ARG A 61 18.553 17.200 19.781 1.00 83.90 H new ATOM 0 HH11 ARG A 61 17.037 17.900 16.927 1.00 82.67 H new ATOM 0 HH12 ARG A 61 15.655 17.951 17.482 1.00 82.67 H new ATOM 0 HH21 ARG A 61 16.445 17.294 20.618 1.00 82.88 H new ATOM 0 HH22 ARG A 61 15.297 17.585 19.714 1.00 82.88 H new ATOM 462 N ASP A 62 23.402 15.689 14.851 1.00 75.89 N ATOM 463 CA ASP A 62 24.591 15.659 13.992 1.00 75.89 C ATOM 464 C ASP A 62 24.390 14.719 12.799 1.00 74.97 C ATOM 465 O ASP A 62 25.279 13.943 12.452 1.00 73.88 O ATOM 466 CB ASP A 62 25.775 15.167 14.816 1.00 77.19 C ATOM 467 CG ASP A 62 25.434 13.922 15.622 1.00 79.21 C ATOM 468 OD1 ASP A 62 24.521 14.001 16.477 1.00 79.93 O ATOM 469 OD2 ASP A 62 26.065 12.867 15.399 1.00 80.34 O ATOM 0 H ASP A 62 23.258 14.943 15.255 1.00 75.89 H new ATOM 0 HA ASP A 62 24.752 16.553 13.653 1.00 75.89 H new ATOM 0 HB2 ASP A 62 26.520 14.975 14.226 1.00 77.19 H new ATOM 0 HB3 ASP A 62 26.064 15.871 15.417 1.00 77.19 H new ATOM 470 N TYR A 63 23.222 14.815 12.178 1.00 74.65 N ATOM 471 CA TYR A 63 22.838 13.974 11.049 1.00 75.85 C ATOM 472 C TYR A 63 23.913 13.415 10.107 1.00 78.09 C ATOM 473 O TYR A 63 24.152 12.202 10.080 1.00 80.72 O ATOM 474 CB TYR A 63 21.786 14.693 10.207 1.00 72.40 C ATOM 475 CG TYR A 63 21.476 14.008 8.891 1.00 68.81 C ATOM 476 CD1 TYR A 63 21.152 14.760 7.764 1.00 67.33 C ATOM 477 CD2 TYR A 63 21.500 12.617 8.769 1.00 66.25 C ATOM 478 CE1 TYR A 63 20.862 14.155 6.553 1.00 65.01 C ATOM 479 CE2 TYR A 63 21.212 12.003 7.555 1.00 65.48 C ATOM 480 CZ TYR A 63 20.894 12.784 6.451 1.00 63.96 C ATOM 481 OH TYR A 63 20.605 12.208 5.237 1.00 64.13 O ATOM 0 H TYR A 63 22.617 15.382 12.405 1.00 74.65 H new ATOM 0 HA TYR A 63 22.518 13.179 11.504 1.00 75.85 H new ATOM 0 HB2 TYR A 63 20.968 14.767 10.723 1.00 72.40 H new ATOM 0 HB3 TYR A 63 22.091 15.596 10.027 1.00 72.40 H new ATOM 0 HD1 TYR A 63 21.130 15.688 7.826 1.00 67.33 H new ATOM 0 HD2 TYR A 63 21.711 12.095 9.509 1.00 66.25 H new ATOM 0 HE1 TYR A 63 20.646 14.674 5.812 1.00 65.01 H new ATOM 0 HE2 TYR A 63 21.232 11.076 7.483 1.00 65.48 H new ATOM 0 HH TYR A 63 20.239 12.776 4.737 1.00 64.13 H new ATOM 482 N PRO A 64 24.564 14.281 9.315 1.00 77.57 N ATOM 483 CA PRO A 64 25.585 13.779 8.394 1.00 77.05 C ATOM 484 C PRO A 64 26.370 12.571 8.910 1.00 77.83 C ATOM 485 O PRO A 64 26.388 11.522 8.271 1.00 77.42 O ATOM 486 CB PRO A 64 26.469 14.997 8.172 1.00 76.98 C ATOM 487 CG PRO A 64 25.511 16.117 8.278 1.00 77.33 C ATOM 488 CD PRO A 64 24.687 15.738 9.482 1.00 76.95 C ATOM 0 HA PRO A 64 25.192 13.428 7.580 1.00 77.05 H new ATOM 0 HB2 PRO A 64 27.171 15.059 8.838 1.00 76.98 H new ATOM 0 HB3 PRO A 64 26.902 14.974 7.305 1.00 76.98 H new ATOM 0 HG2 PRO A 64 25.962 16.966 8.404 1.00 77.33 H new ATOM 0 HG3 PRO A 64 24.966 16.201 7.480 1.00 77.33 H new ATOM 0 HD2 PRO A 64 25.128 15.973 10.313 1.00 76.95 H new ATOM 0 HD3 PRO A 64 23.823 16.178 9.485 1.00 76.95 H new ATOM 489 N GLN A 65 27.007 12.710 10.070 1.00 78.86 N ATOM 490 CA GLN A 65 27.802 11.613 10.622 1.00 80.37 C ATOM 491 C GLN A 65 27.132 10.895 11.761 1.00 80.50 C ATOM 492 O GLN A 65 27.678 10.806 12.853 1.00 81.16 O ATOM 493 CB GLN A 65 29.175 12.104 11.094 1.00 81.07 C ATOM 494 CG GLN A 65 29.143 13.356 11.947 1.00 80.31 C ATOM 495 CD GLN A 65 29.671 14.561 11.190 1.00 81.79 C ATOM 496 OE1 GLN A 65 30.197 14.317 9.983 1.00 82.60 O flip ATOM 497 NE2 GLN A 65 29.617 15.699 11.682 1.00 78.82 N flip ATOM 0 H GLN A 65 26.993 13.424 10.550 1.00 78.86 H new ATOM 0 HA GLN A 65 27.901 10.983 9.891 1.00 80.37 H new ATOM 0 HB2 GLN A 65 29.602 11.395 11.599 1.00 81.07 H new ATOM 0 HB3 GLN A 65 29.730 12.272 10.316 1.00 81.07 H new ATOM 0 HG2 GLN A 65 28.233 13.528 12.237 1.00 80.31 H new ATOM 0 HG3 GLN A 65 29.674 13.217 12.747 1.00 80.31 H new ATOM 0 HE21 GLN A 65 29.271 15.815 12.461 1.00 78.82 H new ATOM 0 HE22 GLN A 65 29.925 16.372 11.244 1.00 78.82 H new ATOM 498 N LYS A 66 25.945 10.375 11.493 1.00 81.58 N ATOM 499 CA LYS A 66 25.177 9.640 12.486 1.00 80.83 C ATOM 500 C LYS A 66 23.846 9.322 11.826 1.00 77.56 C ATOM 501 O LYS A 66 23.047 10.214 11.548 1.00 77.06 O ATOM 502 CB LYS A 66 24.984 10.488 13.750 1.00 84.14 C ATOM 503 CG LYS A 66 24.098 9.855 14.817 1.00 88.99 C ATOM 504 CD LYS A 66 24.613 8.506 15.304 1.00 91.34 C ATOM 505 CE LYS A 66 23.607 7.875 16.274 1.00 92.87 C ATOM 506 NZ LYS A 66 24.044 6.547 16.785 1.00 93.24 N ATOM 0 H LYS A 66 25.559 10.438 10.727 1.00 81.58 H new ATOM 0 HA LYS A 66 25.630 8.829 12.766 1.00 80.83 H new ATOM 0 HB2 LYS A 66 25.854 10.671 14.137 1.00 84.14 H new ATOM 0 HB3 LYS A 66 24.602 11.342 13.496 1.00 84.14 H new ATOM 0 HG2 LYS A 66 24.029 10.460 15.572 1.00 88.99 H new ATOM 0 HG3 LYS A 66 23.203 9.743 14.461 1.00 88.99 H new ATOM 0 HD2 LYS A 66 24.758 7.915 14.548 1.00 91.34 H new ATOM 0 HD3 LYS A 66 25.470 8.619 15.744 1.00 91.34 H new ATOM 0 HE2 LYS A 66 23.469 8.475 17.024 1.00 92.87 H new ATOM 0 HE3 LYS A 66 22.752 7.778 15.827 1.00 92.87 H new ATOM 0 HZ1 LYS A 66 23.347 5.993 16.807 1.00 93.24 H new ATOM 0 HZ2 LYS A 66 24.670 6.214 16.248 1.00 93.24 H new ATOM 0 HZ3 LYS A 66 24.376 6.639 17.606 1.00 93.24 H new ATOM 507 N PRO A 67 23.605 8.035 11.548 1.00 75.36 N ATOM 508 CA PRO A 67 22.379 7.551 10.908 1.00 73.21 C ATOM 509 C PRO A 67 21.112 7.888 11.679 1.00 71.28 C ATOM 510 O PRO A 67 21.120 8.035 12.906 1.00 69.74 O ATOM 511 CB PRO A 67 22.578 6.033 10.841 1.00 72.74 C ATOM 512 CG PRO A 67 24.030 5.839 11.002 1.00 74.15 C ATOM 513 CD PRO A 67 24.459 6.911 11.953 1.00 74.67 C ATOM 0 HA PRO A 67 22.251 7.972 10.044 1.00 73.21 H new ATOM 0 HB2 PRO A 67 22.082 5.581 11.542 1.00 72.74 H new ATOM 0 HB3 PRO A 67 22.266 5.674 9.996 1.00 72.74 H new ATOM 0 HG2 PRO A 67 24.230 4.957 11.353 1.00 74.15 H new ATOM 0 HG3 PRO A 67 24.491 5.918 10.152 1.00 74.15 H new ATOM 0 HD2 PRO A 67 24.311 6.657 12.877 1.00 74.67 H new ATOM 0 HD3 PRO A 67 25.402 7.120 11.863 1.00 74.67 H new ATOM 514 N PRO A 68 20.005 8.048 10.955 1.00 70.01 N ATOM 515 CA PRO A 68 18.745 8.352 11.621 1.00 69.07 C ATOM 516 C PRO A 68 18.135 7.000 11.968 1.00 68.66 C ATOM 517 O PRO A 68 18.558 5.975 11.436 1.00 67.34 O ATOM 518 CB PRO A 68 17.963 9.080 10.539 1.00 69.51 C ATOM 519 CG PRO A 68 18.428 8.384 9.289 1.00 68.62 C ATOM 520 CD PRO A 68 19.916 8.313 9.508 1.00 68.89 C ATOM 0 HA PRO A 68 18.788 8.884 12.431 1.00 69.07 H new ATOM 0 HB2 PRO A 68 17.005 8.996 10.666 1.00 69.51 H new ATOM 0 HB3 PRO A 68 18.165 10.029 10.522 1.00 69.51 H new ATOM 0 HG2 PRO A 68 18.032 7.503 9.195 1.00 68.62 H new ATOM 0 HG3 PRO A 68 18.202 8.884 8.489 1.00 68.62 H new ATOM 0 HD2 PRO A 68 20.326 7.607 8.984 1.00 68.89 H new ATOM 0 HD3 PRO A 68 20.358 9.141 9.263 1.00 68.89 H new ATOM 521 N LYS A 69 17.161 6.985 12.865 1.00 69.26 N ATOM 522 CA LYS A 69 16.508 5.733 13.223 1.00 69.84 C ATOM 523 C LYS A 69 15.210 5.669 12.435 1.00 69.27 C ATOM 524 O LYS A 69 14.490 6.666 12.347 1.00 70.26 O ATOM 525 CB LYS A 69 16.217 5.678 14.731 1.00 71.32 C ATOM 526 CG LYS A 69 17.467 5.537 15.602 1.00 73.49 C ATOM 527 CD LYS A 69 17.114 5.257 17.060 1.00 75.43 C ATOM 528 CE LYS A 69 18.352 4.876 17.870 1.00 76.34 C ATOM 529 NZ LYS A 69 18.018 4.484 19.274 1.00 76.92 N ATOM 0 H LYS A 69 16.864 7.680 13.275 1.00 69.26 H new ATOM 0 HA LYS A 69 17.082 4.979 13.014 1.00 69.84 H new ATOM 0 HB2 LYS A 69 15.744 6.484 14.989 1.00 71.32 H new ATOM 0 HB3 LYS A 69 15.624 4.931 14.909 1.00 71.32 H new ATOM 0 HG2 LYS A 69 18.020 4.818 15.259 1.00 73.49 H new ATOM 0 HG3 LYS A 69 17.993 6.350 15.547 1.00 73.49 H new ATOM 0 HD2 LYS A 69 16.699 6.042 17.451 1.00 75.43 H new ATOM 0 HD3 LYS A 69 16.463 4.540 17.105 1.00 75.43 H new ATOM 0 HE2 LYS A 69 18.808 4.141 17.432 1.00 76.34 H new ATOM 0 HE3 LYS A 69 18.969 5.624 17.884 1.00 76.34 H new ATOM 0 HZ1 LYS A 69 18.765 4.271 19.709 1.00 76.92 H new ATOM 0 HZ2 LYS A 69 17.620 5.165 19.686 1.00 76.92 H new ATOM 0 HZ3 LYS A 69 17.470 3.783 19.264 1.00 76.92 H new ATOM 530 N MET A 70 14.917 4.518 11.838 1.00 67.93 N ATOM 531 CA MET A 70 13.686 4.388 11.075 1.00 66.87 C ATOM 532 C MET A 70 12.737 3.394 11.704 1.00 65.92 C ATOM 533 O MET A 70 13.034 2.204 11.777 1.00 63.92 O ATOM 534 CB MET A 70 13.975 3.971 9.638 1.00 66.95 C ATOM 535 CG MET A 70 12.731 3.962 8.764 1.00 66.22 C ATOM 536 SD MET A 70 13.159 3.801 7.035 1.00 69.80 S ATOM 537 CE MET A 70 11.586 4.060 6.247 1.00 69.06 C ATOM 0 H MET A 70 15.409 3.813 11.862 1.00 67.93 H new ATOM 0 HA MET A 70 13.263 5.261 11.077 1.00 66.87 H new ATOM 0 HB2 MET A 70 14.629 4.577 9.256 1.00 66.95 H new ATOM 0 HB3 MET A 70 14.372 3.086 9.636 1.00 66.95 H new ATOM 0 HG2 MET A 70 12.153 3.229 9.027 1.00 66.22 H new ATOM 0 HG3 MET A 70 12.230 4.781 8.901 1.00 66.22 H new ATOM 0 HE1 MET A 70 11.691 3.995 5.285 1.00 69.06 H new ATOM 0 HE2 MET A 70 10.958 3.386 6.549 1.00 69.06 H new ATOM 0 HE3 MET A 70 11.250 4.940 6.477 1.00 69.06 H new ATOM 538 N LYS A 71 11.592 3.893 12.156 1.00 66.86 N ATOM 539 CA LYS A 71 10.586 3.051 12.784 1.00 67.88 C ATOM 540 C LYS A 71 9.293 3.035 11.980 1.00 67.00 C ATOM 541 O LYS A 71 8.675 4.073 11.763 1.00 65.28 O ATOM 542 CB LYS A 71 10.279 3.548 14.203 1.00 69.20 C ATOM 543 CG LYS A 71 9.139 2.790 14.857 1.00 72.53 C ATOM 544 CD LYS A 71 9.012 3.107 16.345 1.00 76.12 C ATOM 545 CE LYS A 71 7.868 2.307 16.974 1.00 78.03 C ATOM 546 NZ LYS A 71 7.880 2.371 18.464 1.00 79.01 N ATOM 0 H LYS A 71 11.379 4.725 12.107 1.00 66.86 H new ATOM 0 HA LYS A 71 10.947 2.151 12.819 1.00 67.88 H new ATOM 0 HB2 LYS A 71 11.075 3.462 14.751 1.00 69.20 H new ATOM 0 HB3 LYS A 71 10.058 4.492 14.170 1.00 69.20 H new ATOM 0 HG2 LYS A 71 8.307 3.011 14.409 1.00 72.53 H new ATOM 0 HG3 LYS A 71 9.279 1.837 14.742 1.00 72.53 H new ATOM 0 HD2 LYS A 71 9.845 2.899 16.797 1.00 76.12 H new ATOM 0 HD3 LYS A 71 8.853 4.056 16.466 1.00 76.12 H new ATOM 0 HE2 LYS A 71 7.021 2.646 16.645 1.00 78.03 H new ATOM 0 HE3 LYS A 71 7.931 1.381 16.692 1.00 78.03 H new ATOM 0 HZ1 LYS A 71 7.201 1.895 18.787 1.00 79.01 H new ATOM 0 HZ2 LYS A 71 8.647 2.039 18.769 1.00 79.01 H new ATOM 0 HZ3 LYS A 71 7.799 3.218 18.726 1.00 79.01 H new ATOM 547 N PHE A 72 8.889 1.853 11.545 1.00 67.54 N ATOM 548 CA PHE A 72 7.659 1.709 10.793 1.00 68.14 C ATOM 549 C PHE A 72 6.393 1.758 11.647 1.00 68.50 C ATOM 550 O PHE A 72 6.279 1.036 12.626 1.00 69.13 O ATOM 551 CB PHE A 72 7.656 0.366 10.036 1.00 65.41 C ATOM 552 CG PHE A 72 7.866 0.495 8.585 1.00 61.72 C ATOM 553 CD1 PHE A 72 9.096 0.208 8.006 1.00 60.11 C ATOM 554 CD2 PHE A 72 6.831 0.933 7.795 1.00 61.68 C ATOM 555 CE1 PHE A 72 9.279 0.369 6.634 1.00 60.50 C ATOM 556 CE2 PHE A 72 6.995 1.097 6.443 1.00 62.37 C ATOM 557 CZ PHE A 72 8.220 0.817 5.854 1.00 63.43 C ATOM 0 H PHE A 72 9.316 1.118 11.676 1.00 67.54 H new ATOM 0 HA PHE A 72 7.640 2.469 10.190 1.00 68.14 H new ATOM 0 HB2 PHE A 72 8.349 -0.204 10.404 1.00 65.41 H new ATOM 0 HB3 PHE A 72 6.809 -0.081 10.192 1.00 65.41 H new ATOM 0 HD1 PHE A 72 9.799 -0.092 8.536 1.00 60.11 H new ATOM 0 HD2 PHE A 72 6.007 1.121 8.183 1.00 61.68 H new ATOM 0 HE1 PHE A 72 10.102 0.179 6.244 1.00 60.50 H new ATOM 0 HE2 PHE A 72 6.285 1.396 5.921 1.00 62.37 H new ATOM 0 HZ PHE A 72 8.332 0.929 4.938 1.00 63.43 H new ATOM 558 N ILE A 73 5.491 2.597 11.283 1.00 68.86 N ATOM 559 CA ILE A 73 4.228 2.651 11.957 1.00 70.22 C ATOM 560 C ILE A 73 3.388 1.920 10.957 1.00 72.43 C ATOM 561 O ILE A 73 3.758 1.929 9.797 1.00 77.34 O ATOM 562 CB ILE A 73 3.739 4.097 12.207 1.00 69.62 C ATOM 563 CG1 ILE A 73 4.594 4.729 13.322 1.00 67.52 C ATOM 564 CG2 ILE A 73 2.261 4.127 12.573 1.00 69.79 C ATOM 565 CD1 ILE A 73 4.141 6.104 13.745 1.00 68.66 C ATOM 0 H ILE A 73 5.581 3.159 10.638 1.00 68.86 H new ATOM 0 HA ILE A 73 4.224 2.277 12.852 1.00 70.22 H new ATOM 0 HB ILE A 73 3.840 4.611 11.390 1.00 69.62 H new ATOM 0 HG12 ILE A 73 4.583 4.144 14.095 1.00 67.52 H new ATOM 0 HG13 ILE A 73 5.514 4.782 13.020 1.00 67.52 H new ATOM 0 HG21 ILE A 73 1.983 5.044 12.724 1.00 69.79 H new ATOM 0 HG22 ILE A 73 1.740 3.747 11.848 1.00 69.79 H new ATOM 0 HG23 ILE A 73 2.117 3.609 13.380 1.00 69.79 H new ATOM 0 HD11 ILE A 73 4.724 6.435 14.446 1.00 68.66 H new ATOM 0 HD12 ILE A 73 4.177 6.705 12.984 1.00 68.66 H new ATOM 0 HD13 ILE A 73 3.231 6.057 14.077 1.00 68.66 H new ATOM 566 N SER A 74 2.285 1.275 11.289 1.00 70.68 N ATOM 567 CA SER A 74 1.589 0.553 10.239 1.00 69.17 C ATOM 568 C SER A 74 2.168 -0.837 10.166 1.00 69.40 C ATOM 569 O SER A 74 3.284 -1.044 9.712 1.00 68.74 O ATOM 570 CB SER A 74 1.679 1.271 8.898 1.00 66.88 C ATOM 571 OG SER A 74 0.486 1.983 8.608 1.00 66.02 O ATOM 0 H SER A 74 1.935 1.240 12.074 1.00 70.68 H new ATOM 0 HA SER A 74 0.643 0.505 10.449 1.00 69.17 H new ATOM 0 HB2 SER A 74 2.429 1.885 8.908 1.00 66.88 H new ATOM 0 HB3 SER A 74 1.851 0.625 8.195 1.00 66.88 H new ATOM 0 HG SER A 74 0.563 2.369 7.866 1.00 66.02 H new ATOM 572 N GLU A 75 1.372 -1.805 10.608 1.00 70.37 N ATOM 573 CA GLU A 75 1.698 -3.223 10.610 1.00 70.40 C ATOM 574 C GLU A 75 2.441 -3.634 9.348 1.00 69.18 C ATOM 575 O GLU A 75 2.024 -3.301 8.240 1.00 69.49 O ATOM 576 CB GLU A 75 0.388 -4.013 10.687 1.00 73.50 C ATOM 577 CG GLU A 75 0.071 -4.642 12.023 1.00 77.46 C ATOM 578 CD GLU A 75 0.830 -5.930 12.215 1.00 80.32 C ATOM 579 OE1 GLU A 75 2.027 -5.858 12.546 1.00 80.23 O ATOM 580 OE2 GLU A 75 0.233 -7.010 12.033 1.00 82.09 O ATOM 0 H GLU A 75 0.591 -1.643 10.930 1.00 70.37 H new ATOM 0 HA GLU A 75 2.273 -3.406 11.370 1.00 70.40 H new ATOM 0 HB2 GLU A 75 -0.341 -3.420 10.448 1.00 73.50 H new ATOM 0 HB3 GLU A 75 0.414 -4.714 10.017 1.00 73.50 H new ATOM 0 HG2 GLU A 75 0.295 -4.023 12.736 1.00 77.46 H new ATOM 0 HG3 GLU A 75 -0.882 -4.813 12.084 1.00 77.46 H new ATOM 581 N ILE A 76 3.537 -4.361 9.515 1.00 68.02 N ATOM 582 CA ILE A 76 4.285 -4.863 8.370 1.00 65.55 C ATOM 583 C ILE A 76 4.963 -6.156 8.807 1.00 65.62 C ATOM 584 O ILE A 76 5.437 -6.254 9.941 1.00 66.04 O ATOM 585 CB ILE A 76 5.340 -3.850 7.875 1.00 63.40 C ATOM 586 CG1 ILE A 76 5.944 -4.349 6.562 1.00 60.46 C ATOM 587 CG2 ILE A 76 6.414 -3.641 8.939 1.00 60.83 C ATOM 588 CD1 ILE A 76 6.662 -3.276 5.785 1.00 56.39 C ATOM 0 H ILE A 76 3.865 -4.575 10.281 1.00 68.02 H new ATOM 0 HA ILE A 76 3.679 -5.013 7.628 1.00 65.55 H new ATOM 0 HB ILE A 76 4.918 -2.992 7.714 1.00 63.40 H new ATOM 0 HG12 ILE A 76 6.564 -5.070 6.753 1.00 60.46 H new ATOM 0 HG13 ILE A 76 5.238 -4.721 6.010 1.00 60.46 H new ATOM 0 HG21 ILE A 76 7.070 -3.003 8.616 1.00 60.83 H new ATOM 0 HG22 ILE A 76 6.005 -3.301 9.750 1.00 60.83 H new ATOM 0 HG23 ILE A 76 6.851 -4.486 9.128 1.00 60.83 H new ATOM 0 HD11 ILE A 76 7.021 -3.654 4.967 1.00 56.39 H new ATOM 0 HD12 ILE A 76 6.041 -2.564 5.567 1.00 56.39 H new ATOM 0 HD13 ILE A 76 7.387 -2.919 6.321 1.00 56.39 H new ATOM 589 N TRP A 77 4.987 -7.152 7.925 1.00 65.25 N ATOM 590 CA TRP A 77 5.602 -8.436 8.255 1.00 65.41 C ATOM 591 C TRP A 77 6.854 -8.637 7.424 1.00 65.14 C ATOM 592 O TRP A 77 6.794 -9.065 6.270 1.00 62.65 O ATOM 593 CB TRP A 77 4.616 -9.590 8.013 1.00 65.85 C ATOM 594 CG TRP A 77 5.059 -10.898 8.627 1.00 66.10 C ATOM 595 CD1 TRP A 77 5.405 -12.040 7.960 1.00 66.81 C ATOM 596 CD2 TRP A 77 5.266 -11.174 10.022 1.00 65.84 C ATOM 597 NE1 TRP A 77 5.829 -13.002 8.846 1.00 66.02 N ATOM 598 CE2 TRP A 77 5.760 -12.497 10.118 1.00 66.19 C ATOM 599 CE3 TRP A 77 5.100 -10.426 11.199 1.00 66.82 C ATOM 600 CZ2 TRP A 77 6.076 -13.094 11.346 1.00 65.86 C ATOM 601 CZ3 TRP A 77 5.416 -11.022 12.425 1.00 66.66 C ATOM 602 CH2 TRP A 77 5.906 -12.341 12.483 1.00 67.04 C ATOM 0 H TRP A 77 4.654 -7.106 7.133 1.00 65.25 H new ATOM 0 HA TRP A 77 5.841 -8.431 9.195 1.00 65.41 H new ATOM 0 HB2 TRP A 77 3.750 -9.347 8.376 1.00 65.85 H new ATOM 0 HB3 TRP A 77 4.500 -9.712 7.058 1.00 65.85 H new ATOM 0 HD1 TRP A 77 5.360 -12.151 7.038 1.00 66.81 H new ATOM 0 HE1 TRP A 77 6.094 -13.793 8.636 1.00 66.02 H new ATOM 0 HE3 TRP A 77 4.786 -9.551 11.164 1.00 66.82 H new ATOM 0 HZ2 TRP A 77 6.390 -13.968 11.390 1.00 65.86 H new ATOM 0 HZ3 TRP A 77 5.301 -10.540 13.212 1.00 66.66 H new ATOM 0 HH2 TRP A 77 6.119 -12.711 13.309 1.00 67.04 H new ATOM 603 N HIS A 78 7.996 -8.320 8.024 1.00 67.36 N ATOM 604 CA HIS A 78 9.272 -8.440 7.324 1.00 68.23 C ATOM 605 C HIS A 78 10.431 -8.916 8.212 1.00 67.96 C ATOM 606 O HIS A 78 10.548 -8.539 9.389 1.00 68.69 O ATOM 607 CB HIS A 78 9.647 -7.092 6.685 1.00 66.21 C ATOM 608 CG HIS A 78 10.738 -7.192 5.669 1.00 66.13 C ATOM 609 ND1 HIS A 78 10.504 -7.559 4.358 1.00 67.44 N ATOM 610 CD2 HIS A 78 12.073 -6.992 5.765 1.00 65.73 C ATOM 611 CE1 HIS A 78 11.643 -7.575 3.695 1.00 66.12 C ATOM 612 NE2 HIS A 78 12.615 -7.234 4.526 1.00 66.11 N ATOM 0 H HIS A 78 8.055 -8.034 8.833 1.00 67.36 H new ATOM 0 HA HIS A 78 9.141 -9.123 6.648 1.00 68.23 H new ATOM 0 HB2 HIS A 78 8.859 -6.712 6.266 1.00 66.21 H new ATOM 0 HB3 HIS A 78 9.922 -6.477 7.383 1.00 66.21 H new ATOM 0 HD1 HIS A 78 9.734 -7.748 4.026 1.00 67.44 H new ATOM 0 HD2 HIS A 78 12.538 -6.738 6.529 1.00 65.73 H new ATOM 0 HE1 HIS A 78 11.746 -7.789 2.796 1.00 66.12 H new ATOM 613 N PRO A 79 11.301 -9.762 7.649 1.00 66.73 N ATOM 614 CA PRO A 79 12.467 -10.310 8.343 1.00 67.07 C ATOM 615 C PRO A 79 13.358 -9.229 8.960 1.00 67.55 C ATOM 616 O PRO A 79 13.929 -9.429 10.038 1.00 68.59 O ATOM 617 CB PRO A 79 13.191 -11.074 7.239 1.00 65.76 C ATOM 618 CG PRO A 79 12.046 -11.594 6.411 1.00 66.69 C ATOM 619 CD PRO A 79 11.117 -10.403 6.333 1.00 65.94 C ATOM 0 HA PRO A 79 12.219 -10.863 9.101 1.00 67.07 H new ATOM 0 HB2 PRO A 79 13.778 -10.498 6.725 1.00 65.76 H new ATOM 0 HB3 PRO A 79 13.738 -11.793 7.594 1.00 65.76 H new ATOM 0 HG2 PRO A 79 12.339 -11.880 5.532 1.00 66.69 H new ATOM 0 HG3 PRO A 79 11.618 -12.357 6.829 1.00 66.69 H new ATOM 0 HD2 PRO A 79 11.355 -9.807 5.605 1.00 65.94 H new ATOM 0 HD3 PRO A 79 10.196 -10.673 6.189 1.00 65.94 H new ATOM 620 N ASN A 80 13.472 -8.085 8.282 1.00 67.29 N ATOM 621 CA ASN A 80 14.328 -7.005 8.762 1.00 66.19 C ATOM 622 C ASN A 80 13.647 -5.854 9.472 1.00 67.17 C ATOM 623 O ASN A 80 14.233 -4.795 9.672 1.00 66.84 O ATOM 624 CB ASN A 80 15.176 -6.492 7.615 1.00 64.45 C ATOM 625 CG ASN A 80 16.031 -7.586 7.015 1.00 65.26 C ATOM 626 OD1 ASN A 80 15.839 -7.970 5.856 1.00 64.84 O ATOM 627 ND2 ASN A 80 16.974 -8.117 7.810 1.00 62.39 N ATOM 0 H ASN A 80 13.062 -7.917 7.545 1.00 67.29 H new ATOM 0 HA ASN A 80 14.867 -7.410 9.459 1.00 66.19 H new ATOM 0 HB2 ASN A 80 14.601 -6.118 6.929 1.00 64.45 H new ATOM 0 HB3 ASN A 80 15.745 -5.773 7.930 1.00 64.45 H new ATOM 0 HD21 ASN A 80 17.475 -8.752 7.518 1.00 62.39 H new ATOM 0 HD22 ASN A 80 17.077 -7.822 8.611 1.00 62.39 H new ATOM 628 N ILE A 81 12.397 -6.066 9.850 1.00 68.79 N ATOM 629 CA ILE A 81 11.656 -5.074 10.605 1.00 69.94 C ATOM 630 C ILE A 81 11.288 -5.872 11.854 1.00 71.67 C ATOM 631 O ILE A 81 10.629 -6.908 11.746 1.00 70.91 O ATOM 632 CB ILE A 81 10.357 -4.658 9.906 1.00 69.79 C ATOM 633 CG1 ILE A 81 10.610 -4.381 8.427 1.00 69.89 C ATOM 634 CG2 ILE A 81 9.788 -3.423 10.588 1.00 69.10 C ATOM 635 CD1 ILE A 81 11.466 -3.173 8.165 1.00 72.53 C ATOM 0 H ILE A 81 11.957 -6.784 9.677 1.00 68.79 H new ATOM 0 HA ILE A 81 12.160 -4.257 10.744 1.00 69.94 H new ATOM 0 HB ILE A 81 9.715 -5.383 9.971 1.00 69.79 H new ATOM 0 HG12 ILE A 81 11.034 -5.158 8.031 1.00 69.89 H new ATOM 0 HG13 ILE A 81 9.757 -4.264 7.979 1.00 69.89 H new ATOM 0 HG21 ILE A 81 8.966 -3.159 10.146 1.00 69.10 H new ATOM 0 HG22 ILE A 81 9.604 -3.623 11.519 1.00 69.10 H new ATOM 0 HG23 ILE A 81 10.431 -2.698 10.534 1.00 69.10 H new ATOM 0 HD11 ILE A 81 11.583 -3.060 7.209 1.00 72.53 H new ATOM 0 HD12 ILE A 81 11.036 -2.385 8.533 1.00 72.53 H new ATOM 0 HD13 ILE A 81 12.332 -3.293 8.584 1.00 72.53 H new ATOM 636 N ASP A 82 11.727 -5.428 13.028 1.00 72.93 N ATOM 637 CA ASP A 82 11.386 -6.174 14.229 1.00 74.46 C ATOM 638 C ASP A 82 9.896 -6.049 14.546 1.00 75.19 C ATOM 639 O ASP A 82 9.137 -5.414 13.809 1.00 74.71 O ATOM 640 CB ASP A 82 12.237 -5.730 15.439 1.00 73.93 C ATOM 641 CG ASP A 82 11.966 -4.299 15.872 1.00 74.60 C ATOM 642 OD1 ASP A 82 10.808 -3.843 15.777 1.00 73.84 O ATOM 643 OD2 ASP A 82 12.916 -3.633 16.334 1.00 75.11 O ATOM 0 H ASP A 82 12.206 -4.724 13.148 1.00 72.93 H new ATOM 0 HA ASP A 82 11.586 -7.107 14.054 1.00 74.46 H new ATOM 0 HB2 ASP A 82 12.063 -6.325 16.185 1.00 73.93 H new ATOM 0 HB3 ASP A 82 13.177 -5.821 15.216 1.00 73.93 H new ATOM 644 N LYS A 83 9.493 -6.673 15.645 1.00 76.46 N ATOM 645 CA LYS A 83 8.108 -6.673 16.103 1.00 77.21 C ATOM 646 C LYS A 83 7.653 -5.298 16.589 1.00 75.73 C ATOM 647 O LYS A 83 6.491 -5.103 16.942 1.00 74.52 O ATOM 648 CB LYS A 83 7.950 -7.712 17.224 1.00 80.41 C ATOM 649 CG LYS A 83 9.290 -8.191 17.837 1.00 83.33 C ATOM 650 CD LYS A 83 10.100 -7.037 18.449 1.00 84.19 C ATOM 651 CE LYS A 83 11.429 -7.515 19.030 1.00 85.46 C ATOM 652 NZ LYS A 83 12.193 -6.410 19.694 1.00 84.98 N ATOM 0 H LYS A 83 10.025 -7.116 16.155 1.00 76.46 H new ATOM 0 HA LYS A 83 7.544 -6.903 15.348 1.00 77.21 H new ATOM 0 HB2 LYS A 83 7.401 -7.333 17.928 1.00 80.41 H new ATOM 0 HB3 LYS A 83 7.472 -8.481 16.874 1.00 80.41 H new ATOM 0 HG2 LYS A 83 9.111 -8.855 18.521 1.00 83.33 H new ATOM 0 HG3 LYS A 83 9.820 -8.626 17.151 1.00 83.33 H new ATOM 0 HD2 LYS A 83 10.268 -6.365 17.770 1.00 84.19 H new ATOM 0 HD3 LYS A 83 9.578 -6.611 19.147 1.00 84.19 H new ATOM 0 HE2 LYS A 83 11.262 -8.221 19.673 1.00 85.46 H new ATOM 0 HE3 LYS A 83 11.970 -7.898 18.322 1.00 85.46 H new ATOM 0 HZ1 LYS A 83 12.484 -6.686 20.488 1.00 84.98 H new ATOM 0 HZ2 LYS A 83 12.888 -6.182 19.186 1.00 84.98 H new ATOM 0 HZ3 LYS A 83 11.661 -5.705 19.802 1.00 84.98 H new ATOM 653 N GLU A 84 8.575 -4.345 16.611 1.00 75.43 N ATOM 654 CA GLU A 84 8.242 -2.995 17.048 1.00 75.16 C ATOM 655 C GLU A 84 8.273 -2.021 15.870 1.00 72.29 C ATOM 656 O GLU A 84 8.220 -0.809 16.057 1.00 69.95 O ATOM 657 CB GLU A 84 9.209 -2.545 18.145 1.00 77.44 C ATOM 658 CG GLU A 84 9.265 -3.518 19.317 1.00 81.56 C ATOM 659 CD GLU A 84 10.151 -3.036 20.458 1.00 84.10 C ATOM 660 OE1 GLU A 84 9.726 -2.123 21.209 1.00 84.26 O ATOM 661 OE2 GLU A 84 11.275 -3.575 20.596 1.00 84.39 O ATOM 0 H GLU A 84 9.395 -4.457 16.378 1.00 75.43 H new ATOM 0 HA GLU A 84 7.342 -3.000 17.409 1.00 75.16 H new ATOM 0 HB2 GLU A 84 10.097 -2.448 17.768 1.00 77.44 H new ATOM 0 HB3 GLU A 84 8.941 -1.671 18.468 1.00 77.44 H new ATOM 0 HG2 GLU A 84 8.366 -3.663 19.652 1.00 81.56 H new ATOM 0 HG3 GLU A 84 9.592 -4.375 19.002 1.00 81.56 H new ATOM 662 N GLY A 85 8.352 -2.569 14.660 1.00 70.22 N ATOM 663 CA GLY A 85 8.371 -1.744 13.467 1.00 70.52 C ATOM 664 C GLY A 85 9.725 -1.142 13.129 1.00 70.53 C ATOM 665 O GLY A 85 9.909 -0.578 12.048 1.00 69.57 O ATOM 0 H GLY A 85 8.395 -3.415 14.513 1.00 70.22 H new ATOM 0 HA2 GLY A 85 8.072 -2.279 12.715 1.00 70.52 H new ATOM 0 HA3 GLY A 85 7.730 -1.025 13.576 1.00 70.52 H new ATOM 666 N ASN A 86 10.672 -1.254 14.055 1.00 69.89 N ATOM 667 CA ASN A 86 12.009 -0.723 13.845 1.00 67.80 C ATOM 668 C ASN A 86 12.660 -1.422 12.671 1.00 66.78 C ATOM 669 O ASN A 86 12.705 -2.655 12.619 1.00 66.46 O ATOM 670 CB ASN A 86 12.858 -0.929 15.092 1.00 68.18 C ATOM 671 CG ASN A 86 12.385 -0.096 16.251 1.00 69.39 C ATOM 672 OD1 ASN A 86 11.581 0.920 15.956 1.00 71.41 O flip ATOM 673 ND2 ASN A 86 12.741 -0.353 17.404 1.00 68.89 N flip ATOM 0 H ASN A 86 10.557 -1.637 14.816 1.00 69.89 H new ATOM 0 HA ASN A 86 11.942 0.227 13.660 1.00 67.80 H new ATOM 0 HB2 ASN A 86 12.840 -1.866 15.342 1.00 68.18 H new ATOM 0 HB3 ASN A 86 13.781 -0.707 14.892 1.00 68.18 H new ATOM 0 HD21 ASN A 86 13.263 -1.020 17.554 1.00 68.89 H new ATOM 0 HD22 ASN A 86 12.467 0.135 18.057 1.00 68.89 H new ATOM 674 N VAL A 87 13.151 -0.632 11.723 1.00 64.72 N ATOM 675 CA VAL A 87 13.807 -1.200 10.566 1.00 63.54 C ATOM 676 C VAL A 87 15.260 -1.390 10.930 1.00 63.73 C ATOM 677 O VAL A 87 15.892 -0.484 11.468 1.00 64.77 O ATOM 678 CB VAL A 87 13.736 -0.280 9.355 1.00 62.65 C ATOM 679 CG1 VAL A 87 14.335 -0.987 8.150 1.00 61.96 C ATOM 680 CG2 VAL A 87 12.303 0.119 9.093 1.00 61.88 C ATOM 0 H VAL A 87 13.113 0.227 11.735 1.00 64.72 H new ATOM 0 HA VAL A 87 13.366 -2.032 10.332 1.00 63.54 H new ATOM 0 HB VAL A 87 14.245 0.527 9.526 1.00 62.65 H new ATOM 0 HG11 VAL A 87 14.291 -0.403 7.377 1.00 61.96 H new ATOM 0 HG12 VAL A 87 15.261 -1.211 8.333 1.00 61.96 H new ATOM 0 HG13 VAL A 87 13.836 -1.799 7.970 1.00 61.96 H new ATOM 0 HG21 VAL A 87 12.266 0.705 8.321 1.00 61.88 H new ATOM 0 HG22 VAL A 87 11.772 -0.675 8.922 1.00 61.88 H new ATOM 0 HG23 VAL A 87 11.949 0.584 9.868 1.00 61.88 H new ATOM 681 N CYS A 88 15.787 -2.571 10.645 1.00 63.14 N ATOM 682 CA CYS A 88 17.170 -2.862 10.960 1.00 62.13 C ATOM 683 C CYS A 88 17.945 -3.294 9.737 1.00 60.27 C ATOM 684 O CYS A 88 17.899 -4.456 9.342 1.00 58.47 O ATOM 685 CB CYS A 88 17.235 -3.947 12.030 1.00 63.99 C ATOM 686 SG CYS A 88 16.346 -3.500 13.559 1.00 71.92 S ATOM 0 H CYS A 88 15.359 -3.216 10.269 1.00 63.14 H new ATOM 0 HA CYS A 88 17.579 -2.048 11.293 1.00 62.13 H new ATOM 0 HB2 CYS A 88 16.861 -4.768 11.673 1.00 63.99 H new ATOM 0 HB3 CYS A 88 18.164 -4.128 12.244 1.00 63.99 H new ATOM 0 HG CYS A 88 16.437 -4.396 14.352 1.00 71.92 H new ATOM 687 N ILE A 89 18.657 -2.342 9.141 1.00 59.34 N ATOM 688 CA ILE A 89 19.475 -2.605 7.956 1.00 57.98 C ATOM 689 C ILE A 89 20.869 -1.981 8.121 1.00 57.35 C ATOM 690 O ILE A 89 21.034 -1.022 8.873 1.00 55.14 O ATOM 691 CB ILE A 89 18.780 -2.067 6.693 1.00 56.41 C ATOM 692 CG1 ILE A 89 18.489 -0.565 6.858 1.00 54.94 C ATOM 693 CG2 ILE A 89 17.508 -2.879 6.437 1.00 52.60 C ATOM 694 CD1 ILE A 89 17.786 0.069 5.686 1.00 53.56 C ATOM 0 H ILE A 89 18.681 -1.526 9.410 1.00 59.34 H new ATOM 0 HA ILE A 89 19.581 -3.564 7.857 1.00 57.98 H new ATOM 0 HB ILE A 89 19.358 -2.164 5.920 1.00 56.41 H new ATOM 0 HG12 ILE A 89 17.947 -0.438 7.653 1.00 54.94 H new ATOM 0 HG13 ILE A 89 19.327 -0.100 7.008 1.00 54.94 H new ATOM 0 HG21 ILE A 89 17.065 -2.545 5.642 1.00 52.60 H new ATOM 0 HG22 ILE A 89 17.740 -3.812 6.309 1.00 52.60 H new ATOM 0 HG23 ILE A 89 16.912 -2.796 7.198 1.00 52.60 H new ATOM 0 HD11 ILE A 89 17.640 1.011 5.867 1.00 53.56 H new ATOM 0 HD12 ILE A 89 18.333 -0.026 4.890 1.00 53.56 H new ATOM 0 HD13 ILE A 89 16.932 -0.369 5.545 1.00 53.56 H new ATOM 695 N SER A 90 21.860 -2.538 7.425 1.00 57.80 N ATOM 696 CA SER A 90 23.256 -2.087 7.528 1.00 59.77 C ATOM 697 C SER A 90 23.498 -0.583 7.447 1.00 62.20 C ATOM 698 O SER A 90 24.152 0.003 8.320 1.00 61.75 O ATOM 699 CB SER A 90 24.113 -2.757 6.451 1.00 58.11 C ATOM 700 OG SER A 90 24.013 -4.166 6.509 1.00 59.05 O ATOM 0 H SER A 90 21.745 -3.191 6.877 1.00 57.80 H new ATOM 0 HA SER A 90 23.507 -2.350 8.427 1.00 59.77 H new ATOM 0 HB2 SER A 90 23.833 -2.448 5.575 1.00 58.11 H new ATOM 0 HB3 SER A 90 25.040 -2.493 6.563 1.00 58.11 H new ATOM 0 HG SER A 90 24.491 -4.506 5.908 1.00 59.05 H new ATOM 701 N ILE A 91 22.975 0.028 6.389 1.00 62.71 N ATOM 702 CA ILE A 91 23.165 1.445 6.156 1.00 63.19 C ATOM 703 C ILE A 91 22.660 2.356 7.273 1.00 64.15 C ATOM 704 O ILE A 91 22.865 3.562 7.226 1.00 64.44 O ATOM 705 CB ILE A 91 22.531 1.852 4.817 1.00 63.13 C ATOM 706 CG1 ILE A 91 23.031 3.233 4.408 1.00 62.33 C ATOM 707 CG2 ILE A 91 21.015 1.827 4.925 1.00 63.13 C ATOM 708 CD1 ILE A 91 22.561 3.659 3.053 1.00 63.65 C ATOM 0 H ILE A 91 22.502 -0.370 5.791 1.00 62.71 H new ATOM 0 HA ILE A 91 24.126 1.573 6.133 1.00 63.19 H new ATOM 0 HB ILE A 91 22.792 1.217 4.132 1.00 63.13 H new ATOM 0 HG12 ILE A 91 22.736 3.884 5.064 1.00 62.33 H new ATOM 0 HG13 ILE A 91 24.001 3.235 4.422 1.00 62.33 H new ATOM 0 HG21 ILE A 91 20.626 2.085 4.075 1.00 63.13 H new ATOM 0 HG22 ILE A 91 20.722 0.932 5.156 1.00 63.13 H new ATOM 0 HG23 ILE A 91 20.729 2.448 5.613 1.00 63.13 H new ATOM 0 HD11 ILE A 91 22.911 4.541 2.852 1.00 63.65 H new ATOM 0 HD12 ILE A 91 22.876 3.027 2.388 1.00 63.65 H new ATOM 0 HD13 ILE A 91 21.591 3.685 3.040 1.00 63.65 H new ATOM 709 N LEU A 92 21.991 1.797 8.272 1.00 65.68 N ATOM 710 CA LEU A 92 21.523 2.618 9.380 1.00 68.08 C ATOM 711 C LEU A 92 22.481 2.393 10.525 1.00 71.87 C ATOM 712 O LEU A 92 22.479 3.126 11.520 1.00 71.98 O ATOM 713 CB LEU A 92 20.103 2.246 9.794 1.00 63.67 C ATOM 714 CG LEU A 92 19.003 2.634 8.802 1.00 63.00 C ATOM 715 CD1 LEU A 92 17.634 2.333 9.408 1.00 61.89 C ATOM 716 CD2 LEU A 92 19.106 4.118 8.461 1.00 61.16 C ATOM 0 H LEU A 92 21.800 0.960 8.329 1.00 65.68 H new ATOM 0 HA LEU A 92 21.499 3.552 9.118 1.00 68.08 H new ATOM 0 HB2 LEU A 92 20.065 1.287 9.936 1.00 63.67 H new ATOM 0 HB3 LEU A 92 19.911 2.667 10.647 1.00 63.67 H new ATOM 0 HG LEU A 92 19.113 2.117 7.989 1.00 63.00 H new ATOM 0 HD11 LEU A 92 16.939 2.580 8.777 1.00 61.89 H new ATOM 0 HD12 LEU A 92 17.569 1.386 9.606 1.00 61.89 H new ATOM 0 HD13 LEU A 92 17.523 2.842 10.226 1.00 61.89 H new ATOM 0 HD21 LEU A 92 18.406 4.355 7.833 1.00 61.16 H new ATOM 0 HD22 LEU A 92 19.005 4.644 9.270 1.00 61.16 H new ATOM 0 HD23 LEU A 92 19.972 4.300 8.063 1.00 61.16 H new ATOM 717 N HIS A 93 23.312 1.367 10.374 1.00 76.24 N ATOM 718 CA HIS A 93 24.309 1.034 11.388 1.00 81.83 C ATOM 719 C HIS A 93 25.381 2.101 11.411 1.00 84.79 C ATOM 720 O HIS A 93 25.539 2.845 10.458 1.00 85.47 O ATOM 721 CB HIS A 93 24.930 -0.351 11.144 1.00 82.38 C ATOM 722 CG HIS A 93 23.875 -1.452 11.105 1.00 82.66 C ATOM 723 ND1 HIS A 93 24.152 -2.740 10.747 1.00 82.10 N ATOM 724 CD2 HIS A 93 22.541 -1.397 11.375 1.00 82.38 C ATOM 725 CE1 HIS A 93 23.028 -3.460 10.782 1.00 81.24 C ATOM 726 NE2 HIS A 93 22.053 -2.663 11.157 1.00 82.08 N ATOM 0 H HIS A 93 23.315 0.848 9.688 1.00 76.24 H new ATOM 0 HA HIS A 93 23.866 1.001 12.250 1.00 81.83 H new ATOM 0 HB2 HIS A 93 25.418 -0.342 10.306 1.00 82.38 H new ATOM 0 HB3 HIS A 93 25.572 -0.544 11.845 1.00 82.38 H new ATOM 0 HD2 HIS A 93 22.058 -0.652 11.651 1.00 82.38 H new ATOM 0 HE1 HIS A 93 22.949 -4.364 10.578 1.00 81.24 H new ATOM 0 HE2 HIS A 93 21.231 -2.899 11.252 1.00 82.08 H new ATOM 727 N ASP A 94 26.149 2.160 12.482 1.00 89.29 N ATOM 728 CA ASP A 94 27.060 3.270 12.586 1.00 93.99 C ATOM 729 C ASP A 94 28.115 3.122 13.657 1.00 96.68 C ATOM 730 O ASP A 94 27.779 3.096 14.827 1.00 98.15 O ATOM 731 CB ASP A 94 26.246 4.496 12.988 1.00 95.53 C ATOM 732 CG ASP A 94 25.608 4.376 14.370 1.00 96.47 C ATOM 733 OD1 ASP A 94 26.204 4.843 15.362 1.00 96.86 O ATOM 734 OD2 ASP A 94 24.503 3.799 14.469 1.00 97.24 O ATOM 0 H ASP A 94 26.159 1.595 13.130 1.00 89.29 H new ATOM 0 HA ASP A 94 27.506 3.332 11.727 1.00 93.99 H new ATOM 0 HB2 ASP A 94 26.821 5.277 12.972 1.00 95.53 H new ATOM 0 HB3 ASP A 94 25.549 4.643 12.329 1.00 95.53 H new ATOM 735 N PRO A 95 29.383 3.004 13.315 1.00 98.61 N ATOM 736 CA PRO A 95 30.294 2.931 14.475 1.00 99.66 C ATOM 737 C PRO A 95 30.091 4.100 15.434 1.00100.12 C ATOM 738 O PRO A 95 30.712 5.150 15.292 1.00100.43 O ATOM 739 CB PRO A 95 31.671 2.908 13.837 1.00 99.69 C ATOM 740 CG PRO A 95 31.432 1.880 12.806 1.00 99.29 C ATOM 741 CD PRO A 95 29.930 1.809 12.635 1.00 98.74 C ATOM 0 HA PRO A 95 30.141 2.154 15.035 1.00 99.66 H new ATOM 0 HB2 PRO A 95 31.923 3.765 13.460 1.00 99.69 H new ATOM 0 HB3 PRO A 95 32.369 2.657 14.462 1.00 99.69 H new ATOM 0 HG2 PRO A 95 31.866 2.116 11.972 1.00 99.29 H new ATOM 0 HG3 PRO A 95 31.792 1.022 13.080 1.00 99.29 H new ATOM 0 HD2 PRO A 95 29.688 1.803 11.696 1.00 98.74 H new ATOM 0 HD3 PRO A 95 29.575 0.995 13.025 1.00 98.74 H new ATOM 742 N PRO A 105 31.859 -0.945 5.727 1.00 93.88 N ATOM 743 CA PRO A 105 32.332 -0.043 4.667 1.00 93.76 C ATOM 744 C PRO A 105 31.195 0.758 4.020 1.00 92.46 C ATOM 745 O PRO A 105 30.480 1.491 4.708 1.00 92.18 O ATOM 746 CB PRO A 105 33.018 -0.997 3.687 1.00 94.54 C ATOM 747 CG PRO A 105 32.207 -2.263 3.838 1.00 95.33 C ATOM 748 CD PRO A 105 32.034 -2.357 5.341 1.00 94.15 C ATOM 0 HA PRO A 105 32.927 0.649 4.997 1.00 93.76 H new ATOM 0 HB2 PRO A 105 32.994 -0.659 2.778 1.00 94.54 H new ATOM 0 HB3 PRO A 105 33.951 -1.137 3.913 1.00 94.54 H new ATOM 0 HG2 PRO A 105 31.355 -2.204 3.378 1.00 95.33 H new ATOM 0 HG3 PRO A 105 32.671 -3.035 3.478 1.00 95.33 H new ATOM 0 HD2 PRO A 105 31.265 -2.896 5.584 1.00 94.15 H new ATOM 0 HD3 PRO A 105 32.807 -2.756 5.770 1.00 94.15 H new ATOM 749 N GLU A 106 31.034 0.622 2.705 1.00 90.83 N ATOM 750 CA GLU A 106 29.973 1.332 1.997 1.00 89.51 C ATOM 751 C GLU A 106 28.643 0.746 2.461 1.00 88.99 C ATOM 752 O GLU A 106 27.577 1.339 2.259 1.00 88.26 O ATOM 753 CB GLU A 106 30.118 1.151 0.483 1.00 89.67 C ATOM 754 CG GLU A 106 29.565 2.314 -0.340 1.00 90.33 C ATOM 755 CD GLU A 106 30.484 3.536 -0.329 1.00 90.26 C ATOM 756 OE1 GLU A 106 29.981 4.669 -0.510 1.00 89.09 O ATOM 757 OE2 GLU A 106 31.710 3.358 -0.151 1.00 89.44 O ATOM 0 H GLU A 106 31.528 0.125 2.206 1.00 90.83 H new ATOM 0 HA GLU A 106 30.021 2.282 2.188 1.00 89.51 H new ATOM 0 HB2 GLU A 106 31.057 1.034 0.269 1.00 89.67 H new ATOM 0 HB3 GLU A 106 29.663 0.336 0.219 1.00 89.67 H new ATOM 0 HG2 GLU A 106 29.432 2.023 -1.256 1.00 90.33 H new ATOM 0 HG3 GLU A 106 28.695 2.566 0.007 1.00 90.33 H new ATOM 758 N GLU A 107 28.738 -0.427 3.089 1.00 88.21 N ATOM 759 CA GLU A 107 27.589 -1.162 3.626 1.00 86.93 C ATOM 760 C GLU A 107 26.923 -0.389 4.770 1.00 84.20 C ATOM 761 O GLU A 107 25.705 -0.184 4.773 1.00 83.25 O ATOM 762 CB GLU A 107 28.041 -2.542 4.147 1.00 88.79 C ATOM 763 CG GLU A 107 28.462 -3.559 3.076 1.00 89.91 C ATOM 764 CD GLU A 107 27.281 -4.115 2.288 1.00 90.38 C ATOM 765 OE1 GLU A 107 27.488 -5.004 1.434 1.00 90.81 O ATOM 766 OE2 GLU A 107 26.141 -3.660 2.522 1.00 91.40 O ATOM 0 H GLU A 107 29.488 -0.827 3.218 1.00 88.21 H new ATOM 0 HA GLU A 107 26.946 -1.273 2.908 1.00 86.93 H new ATOM 0 HB2 GLU A 107 28.786 -2.411 4.754 1.00 88.79 H new ATOM 0 HB3 GLU A 107 27.317 -2.926 4.665 1.00 88.79 H new ATOM 0 HG2 GLU A 107 29.084 -3.137 2.463 1.00 89.91 H new ATOM 0 HG3 GLU A 107 28.935 -4.292 3.501 1.00 89.91 H new ATOM 767 N ARG A 108 27.737 0.013 5.744 1.00 81.53 N ATOM 768 CA ARG A 108 27.275 0.766 6.908 1.00 79.12 C ATOM 769 C ARG A 108 26.953 2.205 6.512 1.00 75.00 C ATOM 770 O ARG A 108 26.992 2.558 5.336 1.00 74.19 O ATOM 771 CB ARG A 108 28.354 0.775 8.004 1.00 82.36 C ATOM 772 CG ARG A 108 28.331 -0.408 8.973 1.00 85.91 C ATOM 773 CD ARG A 108 28.485 -1.759 8.268 1.00 90.28 C ATOM 774 NE ARG A 108 28.205 -2.867 9.185 1.00 93.67 N ATOM 775 CZ ARG A 108 27.870 -4.101 8.812 1.00 93.83 C ATOM 776 NH1 ARG A 108 27.636 -5.023 9.737 1.00 94.66 N ATOM 777 NH2 ARG A 108 27.764 -4.417 7.524 1.00 94.46 N ATOM 0 H ARG A 108 28.582 -0.146 5.747 1.00 81.53 H new ATOM 0 HA ARG A 108 26.475 0.336 7.249 1.00 79.12 H new ATOM 0 HB2 ARG A 108 29.224 0.804 7.577 1.00 82.36 H new ATOM 0 HB3 ARG A 108 28.263 1.593 8.517 1.00 82.36 H new ATOM 0 HG2 ARG A 108 29.045 -0.303 9.621 1.00 85.91 H new ATOM 0 HG3 ARG A 108 27.496 -0.399 9.467 1.00 85.91 H new ATOM 0 HD2 ARG A 108 27.881 -1.802 7.510 1.00 90.28 H new ATOM 0 HD3 ARG A 108 29.386 -1.844 7.919 1.00 90.28 H new ATOM 0 HE ARG A 108 28.261 -2.708 10.028 1.00 93.67 H new ATOM 0 HH11 ARG A 108 27.701 -4.822 10.571 1.00 94.66 H new ATOM 0 HH12 ARG A 108 27.419 -5.822 9.503 1.00 94.66 H new ATOM 0 HH21 ARG A 108 27.912 -3.822 6.922 1.00 94.46 H new ATOM 0 HH22 ARG A 108 27.547 -5.217 7.294 1.00 94.46 H new ATOM 778 N TRP A 109 26.649 3.035 7.502 1.00 69.69 N ATOM 779 CA TRP A 109 26.330 4.425 7.237 1.00 67.12 C ATOM 780 C TRP A 109 27.535 5.346 7.031 1.00 66.10 C ATOM 781 O TRP A 109 28.444 5.401 7.860 1.00 66.61 O ATOM 782 CB TRP A 109 25.475 4.987 8.360 1.00 65.07 C ATOM 783 CG TRP A 109 25.292 6.476 8.262 1.00 64.56 C ATOM 784 CD1 TRP A 109 26.060 7.442 8.860 1.00 63.05 C ATOM 785 CD2 TRP A 109 24.294 7.170 7.504 1.00 63.54 C ATOM 786 NE1 TRP A 109 25.603 8.691 8.518 1.00 61.85 N ATOM 787 CE2 TRP A 109 24.525 8.558 7.682 1.00 63.85 C ATOM 788 CE3 TRP A 109 23.236 6.756 6.682 1.00 60.78 C ATOM 789 CZ2 TRP A 109 23.724 9.538 7.075 1.00 61.61 C ATOM 790 CZ3 TRP A 109 22.441 7.732 6.078 1.00 62.80 C ATOM 791 CH2 TRP A 109 22.696 9.108 6.275 1.00 62.31 C ATOM 0 H TRP A 109 26.623 2.811 8.332 1.00 69.69 H new ATOM 0 HA TRP A 109 25.853 4.411 6.392 1.00 67.12 H new ATOM 0 HB2 TRP A 109 24.606 4.557 8.346 1.00 65.07 H new ATOM 0 HB3 TRP A 109 25.885 4.771 9.212 1.00 65.07 H new ATOM 0 HD1 TRP A 109 26.786 7.275 9.417 1.00 63.05 H new ATOM 0 HE1 TRP A 109 25.939 9.436 8.785 1.00 61.85 H new ATOM 0 HE3 TRP A 109 23.068 5.852 6.542 1.00 60.78 H new ATOM 0 HZ2 TRP A 109 23.884 10.444 7.210 1.00 61.61 H new ATOM 0 HZ3 TRP A 109 21.731 7.472 5.536 1.00 62.80 H new ATOM 0 HH2 TRP A 109 22.155 9.736 5.853 1.00 62.31 H new ATOM 792 N LEU A 110 27.518 6.086 5.927 1.00 63.19 N ATOM 793 CA LEU A 110 28.582 7.025 5.606 1.00 59.45 C ATOM 794 C LEU A 110 28.054 8.450 5.733 1.00 59.82 C ATOM 795 O LEU A 110 26.847 8.682 5.615 1.00 60.27 O ATOM 796 CB LEU A 110 29.086 6.766 4.194 1.00 55.31 C ATOM 797 CG LEU A 110 29.926 5.498 4.067 1.00 52.57 C ATOM 798 CD1 LEU A 110 30.212 5.215 2.598 1.00 50.84 C ATOM 799 CD2 LEU A 110 31.216 5.671 4.864 1.00 48.19 C ATOM 0 H LEU A 110 26.887 6.056 5.343 1.00 63.19 H new ATOM 0 HA LEU A 110 29.321 6.907 6.224 1.00 59.45 H new ATOM 0 HB2 LEU A 110 28.326 6.703 3.594 1.00 55.31 H new ATOM 0 HB3 LEU A 110 29.615 7.525 3.903 1.00 55.31 H new ATOM 0 HG LEU A 110 29.442 4.738 4.427 1.00 52.57 H new ATOM 0 HD11 LEU A 110 30.746 4.409 2.522 1.00 50.84 H new ATOM 0 HD12 LEU A 110 29.375 5.094 2.123 1.00 50.84 H new ATOM 0 HD13 LEU A 110 30.697 5.961 2.213 1.00 50.84 H new ATOM 0 HD21 LEU A 110 31.754 4.868 4.787 1.00 48.19 H new ATOM 0 HD22 LEU A 110 31.713 6.428 4.515 1.00 48.19 H new ATOM 0 HD23 LEU A 110 31.002 5.828 5.797 1.00 48.19 H new ATOM 800 N PRO A 111 28.946 9.427 5.985 1.00 59.53 N ATOM 801 CA PRO A 111 28.511 10.822 6.126 1.00 59.53 C ATOM 802 C PRO A 111 28.084 11.447 4.802 1.00 58.95 C ATOM 803 O PRO A 111 27.417 12.480 4.795 1.00 57.85 O ATOM 804 CB PRO A 111 29.736 11.515 6.728 1.00 60.95 C ATOM 805 CG PRO A 111 30.492 10.394 7.389 1.00 60.33 C ATOM 806 CD PRO A 111 30.357 9.292 6.370 1.00 59.85 C ATOM 0 HA PRO A 111 27.719 10.907 6.680 1.00 59.53 H new ATOM 0 HB2 PRO A 111 30.270 11.951 6.046 1.00 60.95 H new ATOM 0 HB3 PRO A 111 29.480 12.198 7.368 1.00 60.95 H new ATOM 0 HG2 PRO A 111 31.419 10.627 7.553 1.00 60.33 H new ATOM 0 HG3 PRO A 111 30.106 10.149 8.244 1.00 60.33 H new ATOM 0 HD2 PRO A 111 30.955 9.415 5.616 1.00 59.85 H new ATOM 0 HD3 PRO A 111 30.552 8.420 6.747 1.00 59.85 H new ATOM 807 N VAL A 112 28.484 10.820 3.693 1.00 58.17 N ATOM 808 CA VAL A 112 28.124 11.298 2.357 1.00 56.79 C ATOM 809 C VAL A 112 26.757 10.751 1.939 1.00 55.76 C ATOM 810 O VAL A 112 26.263 11.068 0.852 1.00 55.43 O ATOM 811 CB VAL A 112 29.172 10.879 1.266 1.00 57.32 C ATOM 812 CG1 VAL A 112 30.526 11.510 1.564 1.00 57.48 C ATOM 813 CG2 VAL A 112 29.288 9.360 1.184 1.00 54.64 C ATOM 0 H VAL A 112 28.969 10.110 3.695 1.00 58.17 H new ATOM 0 HA VAL A 112 28.103 12.266 2.413 1.00 56.79 H new ATOM 0 HB VAL A 112 28.866 11.203 0.404 1.00 57.32 H new ATOM 0 HG11 VAL A 112 31.164 11.244 0.884 1.00 57.48 H new ATOM 0 HG12 VAL A 112 30.440 12.476 1.565 1.00 57.48 H new ATOM 0 HG13 VAL A 112 30.838 11.212 2.433 1.00 57.48 H new ATOM 0 HG21 VAL A 112 29.939 9.121 0.506 1.00 54.64 H new ATOM 0 HG22 VAL A 112 29.573 9.010 2.043 1.00 54.64 H new ATOM 0 HG23 VAL A 112 28.426 8.982 0.951 1.00 54.64 H new ATOM 814 N HIS A 113 26.147 9.929 2.795 1.00 54.62 N ATOM 815 CA HIS A 113 24.832 9.362 2.478 1.00 54.23 C ATOM 816 C HIS A 113 23.690 10.356 2.721 1.00 52.18 C ATOM 817 O HIS A 113 23.809 11.279 3.532 1.00 51.97 O ATOM 818 CB HIS A 113 24.568 8.074 3.281 1.00 52.38 C ATOM 819 CG HIS A 113 25.344 6.883 2.802 1.00 51.48 C ATOM 820 ND1 HIS A 113 25.697 6.706 1.481 1.00 51.04 N ATOM 821 CD2 HIS A 113 25.789 5.784 3.460 1.00 49.73 C ATOM 822 CE1 HIS A 113 26.327 5.551 1.346 1.00 51.64 C ATOM 823 NE2 HIS A 113 26.396 4.972 2.532 1.00 51.95 N ATOM 0 H HIS A 113 26.471 9.689 3.555 1.00 54.62 H new ATOM 0 HA HIS A 113 24.853 9.152 1.531 1.00 54.23 H new ATOM 0 HB2 HIS A 113 24.784 8.235 4.213 1.00 52.38 H new ATOM 0 HB3 HIS A 113 23.621 7.868 3.241 1.00 52.38 H new ATOM 0 HD2 HIS A 113 25.700 5.612 4.370 1.00 49.73 H new ATOM 0 HE1 HIS A 113 26.664 5.205 0.551 1.00 51.64 H new ATOM 0 HE2 HIS A 113 26.761 4.211 2.696 1.00 51.95 H new ATOM 824 N THR A 114 22.583 10.154 2.011 1.00 51.02 N ATOM 825 CA THR A 114 21.418 11.025 2.138 1.00 48.58 C ATOM 826 C THR A 114 20.136 10.233 2.413 1.00 49.58 C ATOM 827 O THR A 114 20.119 8.990 2.359 1.00 46.90 O ATOM 828 CB THR A 114 21.194 11.851 0.856 1.00 46.86 C ATOM 829 OG1 THR A 114 20.798 10.981 -0.210 1.00 43.57 O ATOM 830 CG2 THR A 114 22.463 12.579 0.465 1.00 42.14 C ATOM 0 H THR A 114 22.486 9.513 1.446 1.00 51.02 H new ATOM 0 HA THR A 114 21.605 11.611 2.888 1.00 48.58 H new ATOM 0 HB THR A 114 20.497 12.504 1.025 1.00 46.86 H new ATOM 0 HG1 THR A 114 20.937 11.359 -0.947 1.00 43.57 H new ATOM 0 HG21 THR A 114 22.306 13.093 -0.342 1.00 42.14 H new ATOM 0 HG22 THR A 114 22.728 13.176 1.182 1.00 42.14 H new ATOM 0 HG23 THR A 114 23.170 11.934 0.304 1.00 42.14 H new ATOM 831 N VAL A 115 19.070 10.970 2.719 1.00 48.17 N ATOM 832 CA VAL A 115 17.781 10.362 2.994 1.00 47.14 C ATOM 833 C VAL A 115 17.466 9.506 1.780 1.00 48.04 C ATOM 834 O VAL A 115 16.908 8.409 1.894 1.00 46.77 O ATOM 835 CB VAL A 115 16.692 11.442 3.181 1.00 44.73 C ATOM 836 CG1 VAL A 115 15.341 10.793 3.400 1.00 43.11 C ATOM 837 CG2 VAL A 115 17.046 12.332 4.364 1.00 43.07 C ATOM 0 H VAL A 115 19.078 11.828 2.772 1.00 48.17 H new ATOM 0 HA VAL A 115 17.804 9.840 3.811 1.00 47.14 H new ATOM 0 HB VAL A 115 16.646 11.986 2.379 1.00 44.73 H new ATOM 0 HG11 VAL A 115 14.667 11.480 3.516 1.00 43.11 H new ATOM 0 HG12 VAL A 115 15.116 10.246 2.631 1.00 43.11 H new ATOM 0 HG13 VAL A 115 15.374 10.236 4.194 1.00 43.11 H new ATOM 0 HG21 VAL A 115 16.360 13.008 4.477 1.00 43.07 H new ATOM 0 HG22 VAL A 115 17.104 11.793 5.168 1.00 43.07 H new ATOM 0 HG23 VAL A 115 17.900 12.763 4.201 1.00 43.07 H new ATOM 838 N GLU A 116 17.853 10.026 0.620 1.00 48.66 N ATOM 839 CA GLU A 116 17.645 9.338 -0.635 1.00 50.00 C ATOM 840 C GLU A 116 18.296 7.962 -0.593 1.00 48.73 C ATOM 841 O GLU A 116 17.685 6.974 -0.985 1.00 49.31 O ATOM 842 CB GLU A 116 18.233 10.152 -1.786 1.00 52.12 C ATOM 843 CG GLU A 116 18.137 9.452 -3.144 1.00 54.97 C ATOM 844 CD GLU A 116 18.787 10.238 -4.272 1.00 58.66 C ATOM 845 OE1 GLU A 116 18.766 9.735 -5.420 1.00 59.67 O ATOM 846 OE2 GLU A 116 19.317 11.351 -4.017 1.00 60.03 O ATOM 0 H GLU A 116 18.243 10.789 0.544 1.00 48.66 H new ATOM 0 HA GLU A 116 16.691 9.233 -0.776 1.00 50.00 H new ATOM 0 HB2 GLU A 116 17.773 11.005 -1.837 1.00 52.12 H new ATOM 0 HB3 GLU A 116 19.164 10.343 -1.594 1.00 52.12 H new ATOM 0 HG2 GLU A 116 18.557 8.580 -3.082 1.00 54.97 H new ATOM 0 HG3 GLU A 116 17.203 9.302 -3.359 1.00 54.97 H new ATOM 847 N THR A 117 19.536 7.907 -0.118 1.00 47.63 N ATOM 848 CA THR A 117 20.271 6.651 -0.013 1.00 47.60 C ATOM 849 C THR A 117 19.498 5.662 0.870 1.00 46.54 C ATOM 850 O THR A 117 19.304 4.497 0.513 1.00 46.86 O ATOM 851 CB THR A 117 21.685 6.879 0.602 1.00 49.87 C ATOM 852 OG1 THR A 117 22.397 7.862 -0.164 1.00 49.15 O ATOM 853 CG2 THR A 117 22.490 5.574 0.596 1.00 47.84 C ATOM 0 H THR A 117 19.975 8.596 0.152 1.00 47.63 H new ATOM 0 HA THR A 117 20.371 6.290 -0.908 1.00 47.60 H new ATOM 0 HB THR A 117 21.573 7.185 1.516 1.00 49.87 H new ATOM 0 HG1 THR A 117 23.157 7.982 0.172 1.00 49.15 H new ATOM 0 HG21 THR A 117 23.366 5.732 0.981 1.00 47.84 H new ATOM 0 HG22 THR A 117 22.024 4.903 1.119 1.00 47.84 H new ATOM 0 HG23 THR A 117 22.590 5.260 -0.316 1.00 47.84 H new ATOM 854 N ILE A 118 19.065 6.139 2.028 1.00 46.23 N ATOM 855 CA ILE A 118 18.297 5.330 2.955 1.00 45.80 C ATOM 856 C ILE A 118 17.052 4.814 2.251 1.00 46.46 C ATOM 857 O ILE A 118 16.827 3.601 2.188 1.00 47.73 O ATOM 858 CB ILE A 118 17.848 6.158 4.186 1.00 46.35 C ATOM 859 CG1 ILE A 118 19.067 6.544 5.013 1.00 47.72 C ATOM 860 CG2 ILE A 118 16.872 5.364 5.045 1.00 42.91 C ATOM 861 CD1 ILE A 118 18.772 7.545 6.094 1.00 50.69 C ATOM 0 H ILE A 118 19.209 6.943 2.297 1.00 46.23 H new ATOM 0 HA ILE A 118 18.860 4.599 3.254 1.00 45.80 H new ATOM 0 HB ILE A 118 17.399 6.959 3.874 1.00 46.35 H new ATOM 0 HG12 ILE A 118 19.440 5.745 5.417 1.00 47.72 H new ATOM 0 HG13 ILE A 118 19.746 6.908 4.423 1.00 47.72 H new ATOM 0 HG21 ILE A 118 16.604 5.899 5.809 1.00 42.91 H new ATOM 0 HG22 ILE A 118 16.089 5.136 4.519 1.00 42.91 H new ATOM 0 HG23 ILE A 118 17.301 4.551 5.355 1.00 42.91 H new ATOM 0 HD11 ILE A 118 19.587 7.746 6.580 1.00 50.69 H new ATOM 0 HD12 ILE A 118 18.424 8.358 5.696 1.00 50.69 H new ATOM 0 HD13 ILE A 118 18.114 7.178 6.705 1.00 50.69 H new ATOM 862 N LEU A 119 16.245 5.729 1.718 1.00 45.32 N ATOM 863 CA LEU A 119 15.019 5.319 1.056 1.00 45.81 C ATOM 864 C LEU A 119 15.264 4.292 -0.048 1.00 47.07 C ATOM 865 O LEU A 119 14.473 3.354 -0.232 1.00 47.43 O ATOM 866 CB LEU A 119 14.266 6.535 0.514 1.00 44.65 C ATOM 867 CG LEU A 119 13.725 7.487 1.592 1.00 44.49 C ATOM 868 CD1 LEU A 119 12.786 8.503 0.951 1.00 40.81 C ATOM 869 CD2 LEU A 119 12.995 6.702 2.654 1.00 42.94 C ATOM 0 H LEU A 119 16.389 6.577 1.730 1.00 45.32 H new ATOM 0 HA LEU A 119 14.468 4.883 1.725 1.00 45.81 H new ATOM 0 HB2 LEU A 119 14.858 7.032 -0.072 1.00 44.65 H new ATOM 0 HB3 LEU A 119 13.524 6.225 -0.029 1.00 44.65 H new ATOM 0 HG LEU A 119 14.466 7.956 2.006 1.00 44.49 H new ATOM 0 HD11 LEU A 119 12.445 9.103 1.632 1.00 40.81 H new ATOM 0 HD12 LEU A 119 13.269 9.014 0.283 1.00 40.81 H new ATOM 0 HD13 LEU A 119 12.046 8.039 0.530 1.00 40.81 H new ATOM 0 HD21 LEU A 119 12.657 7.309 3.330 1.00 42.94 H new ATOM 0 HD22 LEU A 119 12.254 6.223 2.251 1.00 42.94 H new ATOM 0 HD23 LEU A 119 13.604 6.068 3.064 1.00 42.94 H new ATOM 870 N LEU A 120 16.365 4.451 -0.768 1.00 45.93 N ATOM 871 CA LEU A 120 16.686 3.515 -1.829 1.00 47.73 C ATOM 872 C LEU A 120 17.012 2.152 -1.252 1.00 49.49 C ATOM 873 O LEU A 120 16.510 1.134 -1.732 1.00 50.42 O ATOM 874 CB LEU A 120 17.870 4.018 -2.662 1.00 47.93 C ATOM 875 CG LEU A 120 17.533 5.134 -3.655 1.00 47.42 C ATOM 876 CD1 LEU A 120 18.788 5.658 -4.319 1.00 44.61 C ATOM 877 CD2 LEU A 120 16.552 4.588 -4.685 1.00 46.75 C ATOM 0 H LEU A 120 16.933 5.087 -0.659 1.00 45.93 H new ATOM 0 HA LEU A 120 15.909 3.440 -2.405 1.00 47.73 H new ATOM 0 HB2 LEU A 120 18.560 4.337 -2.059 1.00 47.93 H new ATOM 0 HB3 LEU A 120 18.245 3.269 -3.152 1.00 47.93 H new ATOM 0 HG LEU A 120 17.125 5.879 -3.186 1.00 47.42 H new ATOM 0 HD11 LEU A 120 18.554 6.363 -4.943 1.00 44.61 H new ATOM 0 HD12 LEU A 120 19.388 6.011 -3.644 1.00 44.61 H new ATOM 0 HD13 LEU A 120 19.227 4.937 -4.796 1.00 44.61 H new ATOM 0 HD21 LEU A 120 16.329 5.285 -5.321 1.00 46.75 H new ATOM 0 HD22 LEU A 120 16.956 3.841 -5.153 1.00 46.75 H new ATOM 0 HD23 LEU A 120 15.745 4.290 -4.237 1.00 46.75 H new ATOM 878 N SER A 121 17.853 2.116 -0.223 1.00 50.73 N ATOM 879 CA SER A 121 18.200 0.826 0.361 1.00 51.55 C ATOM 880 C SER A 121 16.953 0.184 0.988 1.00 49.96 C ATOM 881 O SER A 121 16.926 -1.023 1.237 1.00 49.91 O ATOM 882 CB SER A 121 19.339 0.968 1.388 1.00 52.27 C ATOM 883 OG SER A 121 18.888 1.530 2.600 1.00 55.38 O ATOM 0 H SER A 121 18.223 2.802 0.141 1.00 50.73 H new ATOM 0 HA SER A 121 18.524 0.242 -0.343 1.00 51.55 H new ATOM 0 HB2 SER A 121 19.728 0.097 1.561 1.00 52.27 H new ATOM 0 HB3 SER A 121 20.042 1.524 1.016 1.00 52.27 H new ATOM 0 HG SER A 121 18.306 2.113 2.439 1.00 55.38 H new ATOM 884 N VAL A 122 15.915 0.987 1.222 1.00 47.70 N ATOM 885 CA VAL A 122 14.668 0.459 1.781 1.00 45.96 C ATOM 886 C VAL A 122 13.849 -0.284 0.711 1.00 44.33 C ATOM 887 O VAL A 122 13.179 -1.281 1.004 1.00 42.40 O ATOM 888 CB VAL A 122 13.817 1.569 2.402 1.00 44.75 C ATOM 889 CG1 VAL A 122 12.455 1.016 2.827 1.00 42.53 C ATOM 890 CG2 VAL A 122 14.551 2.156 3.578 1.00 41.69 C ATOM 0 H VAL A 122 15.911 1.833 1.066 1.00 47.70 H new ATOM 0 HA VAL A 122 14.915 -0.168 2.479 1.00 45.96 H new ATOM 0 HB VAL A 122 13.663 2.268 1.747 1.00 44.75 H new ATOM 0 HG11 VAL A 122 11.925 1.727 3.219 1.00 42.53 H new ATOM 0 HG12 VAL A 122 11.994 0.659 2.052 1.00 42.53 H new ATOM 0 HG13 VAL A 122 12.582 0.310 3.480 1.00 42.53 H new ATOM 0 HG21 VAL A 122 14.015 2.860 3.975 1.00 41.69 H new ATOM 0 HG22 VAL A 122 14.713 1.463 4.237 1.00 41.69 H new ATOM 0 HG23 VAL A 122 15.398 2.523 3.280 1.00 41.69 H new ATOM 891 N ILE A 123 13.893 0.198 -0.523 1.00 42.05 N ATOM 892 CA ILE A 123 13.193 -0.513 -1.569 1.00 45.13 C ATOM 893 C ILE A 123 13.869 -1.887 -1.666 1.00 47.78 C ATOM 894 O ILE A 123 13.206 -2.907 -1.873 1.00 49.73 O ATOM 895 CB ILE A 123 13.312 0.198 -2.927 1.00 45.14 C ATOM 896 CG1 ILE A 123 12.454 1.461 -2.925 1.00 45.07 C ATOM 897 CG2 ILE A 123 12.884 -0.751 -4.060 1.00 42.52 C ATOM 898 CD1 ILE A 123 12.517 2.227 -4.222 1.00 44.98 C ATOM 0 H ILE A 123 14.308 0.911 -0.767 1.00 42.05 H new ATOM 0 HA ILE A 123 12.248 -0.568 -1.359 1.00 45.13 H new ATOM 0 HB ILE A 123 14.236 0.452 -3.076 1.00 45.14 H new ATOM 0 HG12 ILE A 123 11.532 1.218 -2.745 1.00 45.07 H new ATOM 0 HG13 ILE A 123 12.742 2.039 -2.201 1.00 45.07 H new ATOM 0 HG21 ILE A 123 12.962 -0.294 -4.912 1.00 42.52 H new ATOM 0 HG22 ILE A 123 13.456 -1.534 -4.060 1.00 42.52 H new ATOM 0 HG23 ILE A 123 11.963 -1.024 -3.923 1.00 42.52 H new ATOM 0 HD11 ILE A 123 11.955 3.015 -4.160 1.00 44.98 H new ATOM 0 HD12 ILE A 123 13.433 2.497 -4.395 1.00 44.98 H new ATOM 0 HD13 ILE A 123 12.204 1.663 -4.947 1.00 44.98 H new ATOM 899 N SER A 124 15.192 -1.904 -1.514 1.00 47.60 N ATOM 900 CA SER A 124 15.951 -3.142 -1.560 1.00 49.45 C ATOM 901 C SER A 124 15.502 -4.084 -0.446 1.00 51.52 C ATOM 902 O SER A 124 15.244 -5.256 -0.684 1.00 50.85 O ATOM 903 CB SER A 124 17.444 -2.863 -1.388 1.00 51.57 C ATOM 904 OG SER A 124 18.015 -2.284 -2.540 1.00 54.28 O ATOM 0 H SER A 124 15.669 -1.200 -1.382 1.00 47.60 H new ATOM 0 HA SER A 124 15.793 -3.555 -2.424 1.00 49.45 H new ATOM 0 HB2 SER A 124 17.575 -2.270 -0.631 1.00 51.57 H new ATOM 0 HB3 SER A 124 17.904 -3.692 -1.183 1.00 51.57 H new ATOM 0 HG SER A 124 18.833 -2.144 -2.408 1.00 54.28 H new ATOM 905 N MET A 125 15.426 -3.573 0.775 1.00 53.72 N ATOM 906 CA MET A 125 15.002 -4.397 1.889 1.00 57.52 C ATOM 907 C MET A 125 13.672 -5.101 1.623 1.00 58.92 C ATOM 908 O MET A 125 13.524 -6.296 1.909 1.00 57.77 O ATOM 909 CB MET A 125 14.864 -3.559 3.150 1.00 61.21 C ATOM 910 CG MET A 125 14.116 -4.290 4.241 1.00 65.39 C ATOM 911 SD MET A 125 13.970 -3.318 5.710 1.00 74.95 S ATOM 912 CE MET A 125 12.670 -2.149 5.203 1.00 71.40 C ATOM 0 H MET A 125 15.614 -2.758 0.976 1.00 53.72 H new ATOM 0 HA MET A 125 15.688 -5.073 2.005 1.00 57.52 H new ATOM 0 HB2 MET A 125 15.746 -3.315 3.472 1.00 61.21 H new ATOM 0 HB3 MET A 125 14.400 -2.734 2.939 1.00 61.21 H new ATOM 0 HG2 MET A 125 13.231 -4.527 3.922 1.00 65.39 H new ATOM 0 HG3 MET A 125 14.575 -5.119 4.447 1.00 65.39 H new ATOM 0 HE1 MET A 125 12.592 -1.444 5.865 1.00 71.40 H new ATOM 0 HE2 MET A 125 12.900 -1.761 4.344 1.00 71.40 H new ATOM 0 HE3 MET A 125 11.824 -2.618 5.129 1.00 71.40 H new ATOM 913 N LEU A 126 12.702 -4.357 1.096 1.00 58.54 N ATOM 914 CA LEU A 126 11.395 -4.930 0.806 1.00 59.06 C ATOM 915 C LEU A 126 11.458 -5.897 -0.391 1.00 61.44 C ATOM 916 O LEU A 126 10.781 -6.926 -0.416 1.00 62.05 O ATOM 917 CB LEU A 126 10.393 -3.810 0.531 1.00 54.41 C ATOM 918 CG LEU A 126 10.178 -2.786 1.653 1.00 53.01 C ATOM 919 CD1 LEU A 126 9.308 -1.654 1.135 1.00 49.71 C ATOM 920 CD2 LEU A 126 9.542 -3.439 2.876 1.00 50.07 C ATOM 0 H LEU A 126 12.782 -3.523 0.901 1.00 58.54 H new ATOM 0 HA LEU A 126 11.107 -5.439 1.580 1.00 59.06 H new ATOM 0 HB2 LEU A 126 10.682 -3.333 -0.263 1.00 54.41 H new ATOM 0 HB3 LEU A 126 9.536 -4.215 0.322 1.00 54.41 H new ATOM 0 HG LEU A 126 11.038 -2.431 1.927 1.00 53.01 H new ATOM 0 HD11 LEU A 126 9.169 -1.003 1.841 1.00 49.71 H new ATOM 0 HD12 LEU A 126 9.747 -1.226 0.383 1.00 49.71 H new ATOM 0 HD13 LEU A 126 8.451 -2.009 0.849 1.00 49.71 H new ATOM 0 HD21 LEU A 126 9.416 -2.773 3.570 1.00 50.07 H new ATOM 0 HD22 LEU A 126 8.683 -3.817 2.631 1.00 50.07 H new ATOM 0 HD23 LEU A 126 10.122 -4.143 3.205 1.00 50.07 H new ATOM 921 N THR A 127 12.287 -5.570 -1.373 1.00 63.30 N ATOM 922 CA THR A 127 12.426 -6.395 -2.566 1.00 66.02 C ATOM 923 C THR A 127 13.309 -7.625 -2.346 1.00 68.99 C ATOM 924 O THR A 127 13.085 -8.685 -2.945 1.00 69.16 O ATOM 925 CB THR A 127 13.045 -5.586 -3.724 1.00 64.14 C ATOM 926 OG1 THR A 127 12.379 -4.325 -3.826 1.00 62.16 O ATOM 927 CG2 THR A 127 12.915 -6.345 -5.041 1.00 61.13 C ATOM 0 H THR A 127 12.783 -4.867 -1.368 1.00 63.30 H new ATOM 0 HA THR A 127 11.527 -6.687 -2.782 1.00 66.02 H new ATOM 0 HB THR A 127 13.988 -5.447 -3.542 1.00 64.14 H new ATOM 0 HG1 THR A 127 12.811 -3.744 -3.400 1.00 62.16 H new ATOM 0 HG21 THR A 127 13.309 -5.822 -5.756 1.00 61.13 H new ATOM 0 HG22 THR A 127 13.376 -7.196 -4.971 1.00 61.13 H new ATOM 0 HG23 THR A 127 11.977 -6.501 -5.234 1.00 61.13 H new ATOM 928 N ASP A 128 14.311 -7.478 -1.485 1.00 72.06 N ATOM 929 CA ASP A 128 15.256 -8.560 -1.222 1.00 74.08 C ATOM 930 C ASP A 128 15.760 -8.536 0.220 1.00 72.89 C ATOM 931 O ASP A 128 16.816 -7.976 0.509 1.00 70.44 O ATOM 932 CB ASP A 128 16.438 -8.419 -2.175 1.00 77.37 C ATOM 933 CG ASP A 128 17.087 -9.733 -2.480 1.00 82.42 C ATOM 934 OD1 ASP A 128 17.540 -10.418 -1.525 1.00 85.12 O ATOM 935 OD2 ASP A 128 17.133 -10.076 -3.683 1.00 84.55 O ATOM 0 H ASP A 128 14.462 -6.757 -1.041 1.00 72.06 H new ATOM 0 HA ASP A 128 14.800 -9.405 -1.360 1.00 74.08 H new ATOM 0 HB2 ASP A 128 16.136 -8.011 -3.002 1.00 77.37 H new ATOM 0 HB3 ASP A 128 17.094 -7.820 -1.786 1.00 77.37 H new ATOM 936 N PRO A 129 15.016 -9.162 1.140 1.00 73.73 N ATOM 937 CA PRO A 129 15.430 -9.174 2.546 1.00 74.46 C ATOM 938 C PRO A 129 16.792 -9.827 2.789 1.00 76.40 C ATOM 939 O PRO A 129 17.180 -10.773 2.095 1.00 76.36 O ATOM 940 CB PRO A 129 14.288 -9.924 3.229 1.00 74.18 C ATOM 941 CG PRO A 129 13.848 -10.898 2.163 1.00 73.05 C ATOM 942 CD PRO A 129 13.853 -10.044 0.916 1.00 72.88 C ATOM 0 HA PRO A 129 15.568 -8.279 2.894 1.00 74.46 H new ATOM 0 HB2 PRO A 129 14.585 -10.379 4.033 1.00 74.18 H new ATOM 0 HB3 PRO A 129 13.570 -9.327 3.490 1.00 74.18 H new ATOM 0 HG2 PRO A 129 14.456 -11.650 2.088 1.00 73.05 H new ATOM 0 HG3 PRO A 129 12.968 -11.262 2.348 1.00 73.05 H new ATOM 0 HD2 PRO A 129 13.954 -10.578 0.113 1.00 72.88 H new ATOM 0 HD3 PRO A 129 13.030 -9.540 0.820 1.00 72.88 H new ATOM 943 N ASN A 130 17.525 -9.297 3.763 1.00 78.43 N ATOM 944 CA ASN A 130 18.829 -9.843 4.120 1.00 81.36 C ATOM 945 C ASN A 130 18.672 -10.552 5.449 1.00 83.34 C ATOM 946 O ASN A 130 18.426 -9.917 6.479 1.00 83.90 O ATOM 947 CB ASN A 130 19.887 -8.737 4.250 1.00 80.07 C ATOM 948 CG ASN A 130 21.190 -9.239 4.883 1.00 80.26 C ATOM 949 OD1 ASN A 130 21.323 -9.289 6.111 1.00 78.75 O ATOM 950 ND2 ASN A 130 22.147 -9.626 4.042 1.00 79.02 N ATOM 0 H ASN A 130 17.283 -8.617 4.231 1.00 78.43 H new ATOM 0 HA ASN A 130 19.129 -10.450 3.425 1.00 81.36 H new ATOM 0 HB2 ASN A 130 20.078 -8.372 3.372 1.00 80.07 H new ATOM 0 HB3 ASN A 130 19.529 -8.013 4.787 1.00 80.07 H new ATOM 0 HD21 ASN A 130 22.893 -9.925 4.348 1.00 79.02 H new ATOM 0 HD22 ASN A 130 22.019 -9.577 3.193 1.00 79.02 H new ATOM 951 N PHE A 131 18.796 -11.870 5.432 1.00 85.33 N ATOM 952 CA PHE A 131 18.655 -12.610 6.668 1.00 88.29 C ATOM 953 C PHE A 131 19.880 -12.325 7.525 1.00 90.18 C ATOM 954 O PHE A 131 19.927 -11.274 8.171 1.00 91.54 O ATOM 955 CB PHE A 131 18.446 -14.096 6.364 1.00 88.53 C ATOM 956 CG PHE A 131 17.201 -14.357 5.540 1.00 89.36 C ATOM 957 CD1 PHE A 131 17.196 -14.128 4.158 1.00 88.80 C ATOM 958 CD2 PHE A 131 16.008 -14.745 6.153 1.00 89.23 C ATOM 959 CE1 PHE A 131 16.024 -14.271 3.403 1.00 87.60 C ATOM 960 CE2 PHE A 131 14.829 -14.890 5.404 1.00 88.69 C ATOM 961 CZ PHE A 131 14.841 -14.653 4.028 1.00 87.82 C ATOM 0 H PHE A 131 18.958 -12.344 4.733 1.00 85.33 H new ATOM 0 HA PHE A 131 17.872 -12.332 7.168 1.00 88.29 H new ATOM 0 HB2 PHE A 131 19.220 -14.437 5.889 1.00 88.53 H new ATOM 0 HB3 PHE A 131 18.386 -14.587 7.198 1.00 88.53 H new ATOM 0 HD1 PHE A 131 17.985 -13.877 3.734 1.00 88.80 H new ATOM 0 HD2 PHE A 131 15.994 -14.909 7.068 1.00 89.23 H new ATOM 0 HE1 PHE A 131 16.037 -14.111 2.487 1.00 87.60 H new ATOM 0 HE2 PHE A 131 14.040 -15.144 5.825 1.00 88.69 H new ATOM 0 HZ PHE A 131 14.061 -14.750 3.531 1.00 87.82 H new ATOM 962 N GLU A 132 20.876 -13.205 7.531 1.00 90.77 N ATOM 963 CA GLU A 132 22.067 -12.941 8.338 1.00 91.31 C ATOM 964 C GLU A 132 21.722 -12.136 9.590 1.00 89.75 C ATOM 965 O GLU A 132 21.939 -10.927 9.629 1.00 88.24 O ATOM 966 CB GLU A 132 23.089 -12.128 7.546 1.00 94.34 C ATOM 967 CG GLU A 132 23.822 -12.861 6.451 1.00 98.00 C ATOM 968 CD GLU A 132 25.085 -12.114 6.048 1.00100.22 C ATOM 969 OE1 GLU A 132 24.983 -10.901 5.758 1.00100.38 O ATOM 970 OE2 GLU A 132 26.174 -12.734 6.028 1.00101.34 O ATOM 0 H GLU A 132 20.886 -13.942 7.088 1.00 90.77 H new ATOM 0 HA GLU A 132 22.432 -13.805 8.585 1.00 91.31 H new ATOM 0 HB2 GLU A 132 22.634 -11.368 7.151 1.00 94.34 H new ATOM 0 HB3 GLU A 132 23.745 -11.775 8.168 1.00 94.34 H new ATOM 0 HG2 GLU A 132 24.052 -13.754 6.752 1.00 98.00 H new ATOM 0 HG3 GLU A 132 23.242 -12.962 5.680 1.00 98.00 H new ATOM 971 N SER A 133 21.178 -12.796 10.601 1.00 89.63 N ATOM 972 CA SER A 133 20.811 -12.121 11.843 1.00 89.58 C ATOM 973 C SER A 133 19.613 -11.181 11.672 1.00 88.57 C ATOM 974 O SER A 133 19.709 -9.988 11.959 1.00 87.79 O ATOM 975 CB SER A 133 22.002 -11.321 12.391 1.00 90.11 C ATOM 976 OG SER A 133 23.178 -12.110 12.440 1.00 91.24 O ATOM 0 H SER A 133 21.011 -13.640 10.591 1.00 89.63 H new ATOM 0 HA SER A 133 20.557 -12.817 12.469 1.00 89.58 H new ATOM 0 HB2 SER A 133 22.156 -10.543 11.832 1.00 90.11 H new ATOM 0 HB3 SER A 133 21.793 -10.994 13.280 1.00 90.11 H new ATOM 0 HG SER A 133 23.812 -11.649 12.741 1.00 91.24 H new ATOM 977 N PRO A 134 18.473 -11.707 11.192 1.00 87.71 N ATOM 978 CA PRO A 134 17.273 -10.887 11.002 1.00 86.55 C ATOM 979 C PRO A 134 16.814 -10.310 12.338 1.00 86.41 C ATOM 980 O PRO A 134 17.095 -10.882 13.395 1.00 86.32 O ATOM 981 CB PRO A 134 16.268 -11.880 10.439 1.00 86.74 C ATOM 982 CG PRO A 134 17.140 -12.831 9.666 1.00 86.97 C ATOM 983 CD PRO A 134 18.279 -13.052 10.622 1.00 87.70 C ATOM 0 HA PRO A 134 17.404 -10.122 10.420 1.00 86.55 H new ATOM 0 HB2 PRO A 134 15.776 -12.333 11.142 1.00 86.74 H new ATOM 0 HB3 PRO A 134 15.614 -11.447 9.869 1.00 86.74 H new ATOM 0 HG2 PRO A 134 16.678 -13.657 9.454 1.00 86.97 H new ATOM 0 HG3 PRO A 134 17.439 -12.449 8.826 1.00 86.97 H new ATOM 0 HD2 PRO A 134 18.058 -13.706 11.304 1.00 87.70 H new ATOM 0 HD3 PRO A 134 19.075 -13.372 10.169 1.00 87.70 H new ATOM 984 N ALA A 135 16.115 -9.178 12.289 1.00 85.79 N ATOM 985 CA ALA A 135 15.622 -8.526 13.500 1.00 83.71 C ATOM 986 C ALA A 135 14.291 -9.142 13.868 1.00 83.08 C ATOM 987 O ALA A 135 13.715 -8.847 14.915 1.00 82.58 O ATOM 988 CB ALA A 135 15.453 -7.036 13.264 1.00 83.54 C ATOM 0 H ALA A 135 15.915 -8.769 11.559 1.00 85.79 H new ATOM 0 HA ALA A 135 16.259 -8.650 14.221 1.00 83.71 H new ATOM 0 HB1 ALA A 135 15.126 -6.615 14.074 1.00 83.54 H new ATOM 0 HB2 ALA A 135 16.308 -6.648 13.021 1.00 83.54 H new ATOM 0 HB3 ALA A 135 14.817 -6.892 12.546 1.00 83.54 H new ATOM 989 N ASN A 136 13.808 -10.005 12.988 1.00 83.25 N ATOM 990 CA ASN A 136 12.540 -10.676 13.198 1.00 84.22 C ATOM 991 C ASN A 136 12.662 -12.090 12.660 1.00 85.65 C ATOM 992 O ASN A 136 12.460 -12.342 11.464 1.00 85.66 O ATOM 993 CB ASN A 136 11.427 -9.936 12.463 1.00 83.90 C ATOM 994 CG ASN A 136 10.061 -10.427 12.849 1.00 82.31 C ATOM 995 OD1 ASN A 136 9.780 -11.619 12.783 1.00 82.59 O ATOM 996 ND2 ASN A 136 9.199 -9.511 13.256 1.00 82.78 N ATOM 0 H ASN A 136 14.205 -10.217 12.255 1.00 83.25 H new ATOM 0 HA ASN A 136 12.323 -10.692 14.143 1.00 84.22 H new ATOM 0 HB2 ASN A 136 11.493 -8.987 12.653 1.00 83.90 H new ATOM 0 HB3 ASN A 136 11.548 -10.043 11.506 1.00 83.90 H new ATOM 0 HD21 ASN A 136 8.404 -9.742 13.488 1.00 82.78 H new ATOM 0 HD22 ASN A 136 9.434 -8.684 13.289 1.00 82.78 H new ATOM 997 N VAL A 137 12.998 -13.014 13.551 1.00 86.81 N ATOM 998 CA VAL A 137 13.165 -14.402 13.162 1.00 87.32 C ATOM 999 C VAL A 137 11.830 -15.012 12.727 1.00 87.14 C ATOM 1000 O VAL A 137 11.745 -15.645 11.672 1.00 86.65 O ATOM 1001 CB VAL A 137 13.779 -15.223 14.318 1.00 87.68 C ATOM 1002 CG1 VAL A 137 14.520 -16.444 13.756 1.00 87.48 C ATOM 1003 CG2 VAL A 137 14.729 -14.343 15.132 1.00 86.76 C ATOM 0 H VAL A 137 13.133 -12.856 14.385 1.00 86.81 H new ATOM 0 HA VAL A 137 13.773 -14.430 12.407 1.00 87.32 H new ATOM 0 HB VAL A 137 13.070 -15.535 14.902 1.00 87.68 H new ATOM 0 HG11 VAL A 137 14.903 -16.955 14.486 1.00 87.48 H new ATOM 0 HG12 VAL A 137 13.898 -17.002 13.263 1.00 87.48 H new ATOM 0 HG13 VAL A 137 15.228 -16.148 13.163 1.00 87.48 H new ATOM 0 HG21 VAL A 137 15.112 -14.863 15.856 1.00 86.76 H new ATOM 0 HG22 VAL A 137 15.440 -14.017 14.558 1.00 86.76 H new ATOM 0 HG23 VAL A 137 14.239 -13.590 15.499 1.00 86.76 H new ATOM 1004 N ASP A 138 10.788 -14.815 13.530 1.00 87.09 N ATOM 1005 CA ASP A 138 9.463 -15.338 13.191 1.00 87.84 C ATOM 1006 C ASP A 138 9.242 -15.194 11.685 1.00 87.89 C ATOM 1007 O ASP A 138 8.767 -16.115 11.011 1.00 87.25 O ATOM 1008 CB ASP A 138 8.379 -14.542 13.924 1.00 88.34 C ATOM 1009 CG ASP A 138 8.402 -14.760 15.420 1.00 89.54 C ATOM 1010 OD1 ASP A 138 7.900 -15.811 15.860 1.00 90.57 O ATOM 1011 OD2 ASP A 138 8.922 -13.887 16.152 1.00 90.48 O ATOM 0 H ASP A 138 10.824 -14.383 14.273 1.00 87.09 H new ATOM 0 HA ASP A 138 9.413 -16.270 13.455 1.00 87.84 H new ATOM 0 HB2 ASP A 138 8.495 -13.597 13.737 1.00 88.34 H new ATOM 0 HB3 ASP A 138 7.509 -14.794 13.578 1.00 88.34 H new ATOM 1012 N ALA A 139 9.602 -14.019 11.177 1.00 87.28 N ATOM 1013 CA ALA A 139 9.449 -13.698 9.772 1.00 86.49 C ATOM 1014 C ALA A 139 10.533 -14.353 8.946 1.00 85.81 C ATOM 1015 O ALA A 139 10.259 -14.936 7.893 1.00 85.49 O ATOM 1016 CB ALA A 139 9.491 -12.191 9.584 1.00 88.11 C ATOM 0 H ALA A 139 9.944 -13.384 11.646 1.00 87.28 H new ATOM 0 HA ALA A 139 8.592 -14.038 9.470 1.00 86.49 H new ATOM 0 HB1 ALA A 139 9.388 -11.979 8.643 1.00 88.11 H new ATOM 0 HB2 ALA A 139 8.770 -11.782 10.088 1.00 88.11 H new ATOM 0 HB3 ALA A 139 10.341 -11.849 9.901 1.00 88.11 H new ATOM 1017 N ALA A 140 11.768 -14.247 9.416 1.00 85.05 N ATOM 1018 CA ALA A 140 12.887 -14.843 8.699 1.00 86.22 C ATOM 1019 C ALA A 140 12.630 -16.336 8.497 1.00 86.30 C ATOM 1020 O ALA A 140 12.781 -16.866 7.394 1.00 85.05 O ATOM 1021 CB ALA A 140 14.176 -14.631 9.480 1.00 86.83 C ATOM 0 H ALA A 140 11.979 -13.838 10.142 1.00 85.05 H new ATOM 0 HA ALA A 140 12.976 -14.418 7.832 1.00 86.22 H new ATOM 0 HB1 ALA A 140 14.917 -15.030 8.997 1.00 86.83 H new ATOM 0 HB2 ALA A 140 14.336 -13.681 9.589 1.00 86.83 H new ATOM 0 HB3 ALA A 140 14.098 -15.047 10.353 1.00 86.83 H new ATOM 1022 N LYS A 141 12.233 -17.003 9.576 1.00 87.13 N ATOM 1023 CA LYS A 141 11.948 -18.430 9.539 1.00 88.12 C ATOM 1024 C LYS A 141 10.777 -18.714 8.606 1.00 88.05 C ATOM 1025 O LYS A 141 10.821 -19.634 7.782 1.00 86.95 O ATOM 1026 CB LYS A 141 11.619 -18.938 10.950 1.00 88.91 C ATOM 1027 CG LYS A 141 11.385 -20.441 11.025 1.00 90.35 C ATOM 1028 CD LYS A 141 11.430 -20.964 12.455 1.00 91.61 C ATOM 1029 CE LYS A 141 11.389 -22.495 12.475 1.00 91.84 C ATOM 1030 NZ LYS A 141 11.480 -23.059 13.852 1.00 91.38 N ATOM 0 H LYS A 141 12.122 -16.641 10.348 1.00 87.13 H new ATOM 0 HA LYS A 141 12.734 -18.892 9.207 1.00 88.12 H new ATOM 0 HB2 LYS A 141 12.346 -18.703 11.547 1.00 88.91 H new ATOM 0 HB3 LYS A 141 10.827 -18.480 11.273 1.00 88.91 H new ATOM 0 HG2 LYS A 141 10.523 -20.652 10.633 1.00 90.35 H new ATOM 0 HG3 LYS A 141 12.057 -20.897 10.495 1.00 90.35 H new ATOM 0 HD2 LYS A 141 12.237 -20.652 12.893 1.00 91.61 H new ATOM 0 HD3 LYS A 141 10.680 -20.609 12.957 1.00 91.61 H new ATOM 0 HE2 LYS A 141 10.566 -22.798 12.060 1.00 91.84 H new ATOM 0 HE3 LYS A 141 12.120 -22.841 11.940 1.00 91.84 H new ATOM 0 HZ1 LYS A 141 11.452 -23.948 13.812 1.00 91.38 H new ATOM 0 HZ2 LYS A 141 12.245 -22.803 14.228 1.00 91.38 H new ATOM 0 HZ3 LYS A 141 10.797 -22.763 14.340 1.00 91.38 H new ATOM 1031 N MET A 142 9.736 -17.904 8.725 1.00 88.04 N ATOM 1032 CA MET A 142 8.559 -18.102 7.910 1.00 88.31 C ATOM 1033 C MET A 142 8.783 -18.048 6.408 1.00 89.69 C ATOM 1034 O MET A 142 8.467 -19.000 5.705 1.00 91.21 O ATOM 1035 CB MET A 142 7.477 -17.105 8.292 1.00 86.42 C ATOM 1036 CG MET A 142 6.128 -17.511 7.756 1.00 85.21 C ATOM 1037 SD MET A 142 4.820 -16.529 8.450 1.00 86.10 S ATOM 1038 CE MET A 142 4.977 -16.947 10.201 1.00 83.60 C ATOM 0 H MET A 142 9.694 -17.239 9.269 1.00 88.04 H new ATOM 0 HA MET A 142 8.284 -19.013 8.100 1.00 88.31 H new ATOM 0 HB2 MET A 142 7.432 -17.030 9.258 1.00 86.42 H new ATOM 0 HB3 MET A 142 7.710 -16.228 7.950 1.00 86.42 H new ATOM 0 HG2 MET A 142 6.123 -17.420 6.790 1.00 85.21 H new ATOM 0 HG3 MET A 142 5.970 -18.447 7.954 1.00 85.21 H new ATOM 0 HE1 MET A 142 4.095 -17.075 10.584 1.00 83.60 H new ATOM 0 HE2 MET A 142 5.491 -17.764 10.294 1.00 83.60 H new ATOM 0 HE3 MET A 142 5.429 -16.226 10.667 1.00 83.60 H new ATOM 1039 N GLN A 143 9.326 -16.950 5.903 1.00 90.75 N ATOM 1040 CA GLN A 143 9.526 -16.843 4.466 1.00 92.32 C ATOM 1041 C GLN A 143 10.391 -17.954 3.876 1.00 93.88 C ATOM 1042 O GLN A 143 10.199 -18.356 2.727 1.00 94.29 O ATOM 1043 CB GLN A 143 10.143 -15.497 4.121 1.00 92.40 C ATOM 1044 CG GLN A 143 10.057 -15.181 2.647 1.00 91.90 C ATOM 1045 CD GLN A 143 10.934 -14.026 2.268 1.00 92.36 C ATOM 1046 OE1 GLN A 143 11.017 -13.033 2.998 1.00 93.69 O ATOM 1047 NE2 GLN A 143 11.596 -14.134 1.116 1.00 91.47 N ATOM 0 H GLN A 143 9.581 -16.269 6.363 1.00 90.75 H new ATOM 0 HA GLN A 143 8.645 -16.932 4.071 1.00 92.32 H new ATOM 0 HB2 GLN A 143 9.694 -14.800 4.625 1.00 92.40 H new ATOM 0 HB3 GLN A 143 11.073 -15.491 4.396 1.00 92.40 H new ATOM 0 HG2 GLN A 143 10.314 -15.963 2.134 1.00 91.90 H new ATOM 0 HG3 GLN A 143 9.138 -14.978 2.414 1.00 91.90 H new ATOM 0 HE21 GLN A 143 11.511 -14.843 0.636 1.00 91.47 H new ATOM 0 HE22 GLN A 143 12.108 -13.495 0.853 1.00 91.47 H new ATOM 1048 N ARG A 144 11.341 -18.446 4.669 1.00 95.83 N ATOM 1049 CA ARG A 144 12.262 -19.500 4.241 1.00 96.92 C ATOM 1050 C ARG A 144 11.626 -20.884 4.056 1.00 96.92 C ATOM 1051 O ARG A 144 11.826 -21.533 3.029 1.00 96.60 O ATOM 1052 CB ARG A 144 13.427 -19.589 5.235 1.00 98.67 C ATOM 1053 CG ARG A 144 14.364 -18.380 5.208 1.00100.84 C ATOM 1054 CD ARG A 144 15.613 -18.661 4.381 1.00103.11 C ATOM 1055 NE ARG A 144 16.534 -19.546 5.091 1.00106.67 N ATOM 1056 CZ ARG A 144 17.639 -20.072 4.566 1.00107.40 C ATOM 1057 NH1 ARG A 144 17.970 -19.807 3.310 1.00107.55 N ATOM 1058 NH2 ARG A 144 18.420 -20.857 5.303 1.00107.52 N ATOM 0 H ARG A 144 11.471 -18.177 5.475 1.00 95.83 H new ATOM 0 HA ARG A 144 12.568 -19.241 3.358 1.00 96.92 H new ATOM 0 HB2 ARG A 144 13.068 -19.688 6.131 1.00 98.67 H new ATOM 0 HB3 ARG A 144 13.941 -20.389 5.045 1.00 98.67 H new ATOM 0 HG2 ARG A 144 13.896 -17.614 4.840 1.00100.84 H new ATOM 0 HG3 ARG A 144 14.620 -18.147 6.114 1.00100.84 H new ATOM 0 HD2 ARG A 144 15.360 -19.065 3.536 1.00103.11 H new ATOM 0 HD3 ARG A 144 16.060 -17.826 4.173 1.00103.11 H new ATOM 0 HE ARG A 144 16.349 -19.741 5.908 1.00106.67 H new ATOM 0 HH11 ARG A 144 17.471 -19.295 2.833 1.00107.55 H new ATOM 0 HH12 ARG A 144 18.684 -20.147 2.972 1.00107.55 H new ATOM 0 HH21 ARG A 144 18.212 -21.026 6.120 1.00107.52 H new ATOM 0 HH22 ARG A 144 19.133 -21.196 4.962 1.00107.52 H new ATOM 1059 N GLU A 145 10.867 -21.341 5.046 1.00 97.17 N ATOM 1060 CA GLU A 145 10.224 -22.649 4.955 1.00 97.91 C ATOM 1061 C GLU A 145 8.722 -22.563 4.668 1.00 97.07 C ATOM 1062 O GLU A 145 8.255 -23.033 3.626 1.00 97.33 O ATOM 1063 CB GLU A 145 10.476 -23.442 6.241 1.00 99.46 C ATOM 1064 CG GLU A 145 10.112 -22.697 7.512 1.00102.06 C ATOM 1065 CD GLU A 145 10.809 -23.261 8.739 1.00104.20 C ATOM 1066 OE1 GLU A 145 12.063 -23.210 8.786 1.00103.88 O ATOM 1067 OE2 GLU A 145 10.105 -23.754 9.653 1.00105.45 O ATOM 0 H GLU A 145 10.712 -20.913 5.776 1.00 97.17 H new ATOM 0 HA GLU A 145 10.622 -23.108 4.199 1.00 97.91 H new ATOM 0 HB2 GLU A 145 9.968 -24.267 6.205 1.00 99.46 H new ATOM 0 HB3 GLU A 145 11.414 -23.688 6.279 1.00 99.46 H new ATOM 0 HG2 GLU A 145 10.346 -21.761 7.413 1.00102.06 H new ATOM 0 HG3 GLU A 145 9.152 -22.737 7.643 1.00102.06 H new ATOM 1068 N ASN A 146 7.972 -21.961 5.589 1.00 95.17 N ATOM 1069 CA ASN A 146 6.530 -21.819 5.425 1.00 92.95 C ATOM 1070 C ASN A 146 6.199 -20.574 4.601 1.00 91.53 C ATOM 1071 O ASN A 146 5.612 -19.609 5.103 1.00 91.45 O ATOM 1072 CB ASN A 146 5.853 -21.735 6.794 1.00 93.12 C ATOM 1073 CG ASN A 146 4.354 -21.977 6.718 1.00 94.36 C ATOM 1074 OD1 ASN A 146 3.619 -21.228 6.069 1.00 95.45 O ATOM 1075 ND2 ASN A 146 3.894 -23.033 7.384 1.00 94.69 N ATOM 0 H ASN A 146 8.282 -21.627 6.318 1.00 95.17 H new ATOM 0 HA ASN A 146 6.197 -22.598 4.952 1.00 92.95 H new ATOM 0 HB2 ASN A 146 6.253 -22.387 7.390 1.00 93.12 H new ATOM 0 HB3 ASN A 146 6.017 -20.860 7.180 1.00 93.12 H new ATOM 0 HD21 ASN A 146 3.054 -23.216 7.373 1.00 94.69 H new ATOM 0 HD22 ASN A 146 4.437 -23.533 7.826 1.00 94.69 H new ATOM 1076 N TYR A 147 6.580 -20.606 3.329 1.00 89.09 N ATOM 1077 CA TYR A 147 6.333 -19.490 2.432 1.00 88.17 C ATOM 1078 C TYR A 147 4.840 -19.266 2.245 1.00 88.41 C ATOM 1079 O TYR A 147 4.387 -18.151 1.987 1.00 87.60 O ATOM 1080 CB TYR A 147 6.980 -19.774 1.083 1.00 87.54 C ATOM 1081 CG TYR A 147 7.020 -18.585 0.160 1.00 87.35 C ATOM 1082 CD1 TYR A 147 7.605 -17.384 0.565 1.00 87.27 C ATOM 1083 CD2 TYR A 147 6.511 -18.668 -1.134 1.00 87.06 C ATOM 1084 CE1 TYR A 147 7.685 -16.298 -0.298 1.00 86.30 C ATOM 1085 CE2 TYR A 147 6.589 -17.590 -2.005 1.00 86.53 C ATOM 1086 CZ TYR A 147 7.179 -16.410 -1.581 1.00 86.04 C ATOM 1087 OH TYR A 147 7.283 -15.357 -2.452 1.00 86.26 O ATOM 0 H TYR A 147 6.986 -21.271 2.966 1.00 89.09 H new ATOM 0 HA TYR A 147 6.717 -18.688 2.821 1.00 88.17 H new ATOM 0 HB2 TYR A 147 7.886 -20.089 1.229 1.00 87.54 H new ATOM 0 HB3 TYR A 147 6.496 -20.493 0.648 1.00 87.54 H new ATOM 0 HD1 TYR A 147 7.947 -17.310 1.427 1.00 87.27 H new ATOM 0 HD2 TYR A 147 6.112 -19.458 -1.419 1.00 87.06 H new ATOM 0 HE1 TYR A 147 8.075 -15.502 -0.016 1.00 86.30 H new ATOM 0 HE2 TYR A 147 6.248 -17.659 -2.867 1.00 86.53 H new ATOM 0 HH TYR A 147 6.936 -15.566 -3.188 1.00 86.26 H new ATOM 1088 N ALA A 148 4.083 -20.348 2.384 1.00 89.34 N ATOM 1089 CA ALA A 148 2.635 -20.328 2.228 1.00 88.47 C ATOM 1090 C ALA A 148 1.943 -19.286 3.097 1.00 87.85 C ATOM 1091 O ALA A 148 1.314 -18.356 2.592 1.00 87.03 O ATOM 1092 CB ALA A 148 2.073 -21.710 2.541 1.00 88.60 C ATOM 0 H ALA A 148 4.400 -21.124 2.574 1.00 89.34 H new ATOM 0 HA ALA A 148 2.456 -20.082 1.307 1.00 88.47 H new ATOM 0 HB1 ALA A 148 1.109 -21.698 2.438 1.00 88.60 H new ATOM 0 HB2 ALA A 148 2.455 -22.361 1.932 1.00 88.60 H new ATOM 0 HB3 ALA A 148 2.297 -21.952 3.453 1.00 88.60 H new ATOM 1093 N GLU A 149 2.063 -19.447 4.408 1.00 87.75 N ATOM 1094 CA GLU A 149 1.417 -18.537 5.337 1.00 88.50 C ATOM 1095 C GLU A 149 2.030 -17.143 5.345 1.00 87.82 C ATOM 1096 O GLU A 149 1.353 -16.168 5.686 1.00 87.01 O ATOM 1097 CB GLU A 149 1.459 -19.113 6.747 1.00 89.45 C ATOM 1098 CG GLU A 149 0.398 -18.537 7.652 1.00 92.02 C ATOM 1099 CD GLU A 149 0.831 -18.522 9.099 1.00 94.04 C ATOM 1100 OE1 GLU A 149 1.289 -19.580 9.584 1.00 94.51 O ATOM 1101 OE2 GLU A 149 0.711 -17.454 9.748 1.00 94.10 O ATOM 0 H GLU A 149 2.515 -20.078 4.779 1.00 87.75 H new ATOM 0 HA GLU A 149 0.501 -18.443 5.032 1.00 88.50 H new ATOM 0 HB2 GLU A 149 1.350 -20.076 6.701 1.00 89.45 H new ATOM 0 HB3 GLU A 149 2.333 -18.945 7.134 1.00 89.45 H new ATOM 0 HG2 GLU A 149 0.189 -17.633 7.369 1.00 92.02 H new ATOM 0 HG3 GLU A 149 -0.416 -19.057 7.565 1.00 92.02 H new ATOM 1102 N PHE A 150 3.307 -17.056 4.973 1.00 87.14 N ATOM 1103 CA PHE A 150 4.015 -15.778 4.946 1.00 86.36 C ATOM 1104 C PHE A 150 3.379 -14.779 3.976 1.00 85.58 C ATOM 1105 O PHE A 150 3.049 -13.655 4.364 1.00 85.14 O ATOM 1106 CB PHE A 150 5.485 -15.983 4.567 1.00 86.30 C ATOM 1107 CG PHE A 150 6.300 -14.716 4.604 1.00 86.14 C ATOM 1108 CD1 PHE A 150 6.722 -14.176 5.815 1.00 85.97 C ATOM 1109 CD2 PHE A 150 6.632 -14.050 3.426 1.00 86.20 C ATOM 1110 CE1 PHE A 150 7.464 -12.988 5.850 1.00 84.83 C ATOM 1111 CE2 PHE A 150 7.370 -12.862 3.456 1.00 84.41 C ATOM 1112 CZ PHE A 150 7.786 -12.335 4.669 1.00 83.50 C ATOM 0 H PHE A 150 3.783 -17.730 4.731 1.00 87.14 H new ATOM 0 HA PHE A 150 3.953 -15.409 5.841 1.00 86.36 H new ATOM 0 HB2 PHE A 150 5.880 -16.630 5.172 1.00 86.30 H new ATOM 0 HB3 PHE A 150 5.531 -16.363 3.676 1.00 86.30 H new ATOM 0 HD1 PHE A 150 6.509 -14.609 6.610 1.00 85.97 H new ATOM 0 HD2 PHE A 150 6.359 -14.400 2.609 1.00 86.20 H new ATOM 0 HE1 PHE A 150 7.741 -12.637 6.665 1.00 84.83 H new ATOM 0 HE2 PHE A 150 7.582 -12.426 2.662 1.00 84.41 H new ATOM 0 HZ PHE A 150 8.279 -11.547 4.691 1.00 83.50 H new ATOM 1113 N LYS A 151 3.221 -15.175 2.716 1.00 83.83 N ATOM 1114 CA LYS A 151 2.608 -14.287 1.735 1.00 83.02 C ATOM 1115 C LYS A 151 1.225 -13.904 2.222 1.00 81.87 C ATOM 1116 O LYS A 151 0.760 -12.788 1.996 1.00 81.22 O ATOM 1117 CB LYS A 151 2.485 -14.974 0.369 1.00 83.40 C ATOM 1118 CG LYS A 151 3.801 -15.092 -0.388 1.00 84.04 C ATOM 1119 CD LYS A 151 3.596 -15.480 -1.854 1.00 83.49 C ATOM 1120 CE LYS A 151 3.114 -16.915 -2.012 1.00 84.40 C ATOM 1121 NZ LYS A 151 3.050 -17.326 -3.449 1.00 83.99 N ATOM 0 H LYS A 151 3.459 -15.944 2.412 1.00 83.83 H new ATOM 0 HA LYS A 151 3.168 -13.501 1.634 1.00 83.02 H new ATOM 0 HB2 LYS A 151 2.115 -15.862 0.496 1.00 83.40 H new ATOM 0 HB3 LYS A 151 1.853 -14.479 -0.175 1.00 83.40 H new ATOM 0 HG2 LYS A 151 4.275 -14.247 -0.343 1.00 84.04 H new ATOM 0 HG3 LYS A 151 4.362 -15.755 0.044 1.00 84.04 H new ATOM 0 HD2 LYS A 151 2.951 -14.878 -2.258 1.00 83.49 H new ATOM 0 HD3 LYS A 151 4.430 -15.367 -2.336 1.00 83.49 H new ATOM 0 HE2 LYS A 151 3.710 -17.511 -1.532 1.00 84.40 H new ATOM 0 HE3 LYS A 151 2.236 -17.007 -1.610 1.00 84.40 H new ATOM 0 HZ1 LYS A 151 2.765 -18.167 -3.505 1.00 83.99 H new ATOM 0 HZ2 LYS A 151 2.487 -16.793 -3.886 1.00 83.99 H new ATOM 0 HZ3 LYS A 151 3.860 -17.262 -3.813 1.00 83.99 H new ATOM 1122 N LYS A 152 0.581 -14.846 2.902 1.00 80.72 N ATOM 1123 CA LYS A 152 -0.762 -14.650 3.423 1.00 79.91 C ATOM 1124 C LYS A 152 -0.788 -13.582 4.516 1.00 78.79 C ATOM 1125 O LYS A 152 -1.784 -12.882 4.681 1.00 77.87 O ATOM 1126 CB LYS A 152 -1.299 -15.982 3.961 1.00 79.95 C ATOM 1127 CG LYS A 152 -2.784 -15.990 4.286 1.00 79.29 C ATOM 1128 CD LYS A 152 -3.170 -17.266 5.028 1.00 79.14 C ATOM 1129 CE LYS A 152 -4.518 -17.124 5.730 1.00 78.68 C ATOM 1130 NZ LYS A 152 -4.820 -18.295 6.600 1.00 77.94 N ATOM 0 H LYS A 152 0.914 -15.620 3.074 1.00 80.72 H new ATOM 0 HA LYS A 152 -1.330 -14.339 2.701 1.00 79.91 H new ATOM 0 HB2 LYS A 152 -1.121 -16.675 3.306 1.00 79.95 H new ATOM 0 HB3 LYS A 152 -0.805 -16.215 4.762 1.00 79.95 H new ATOM 0 HG2 LYS A 152 -3.005 -15.216 4.828 1.00 79.29 H new ATOM 0 HG3 LYS A 152 -3.299 -15.919 3.467 1.00 79.29 H new ATOM 0 HD2 LYS A 152 -3.207 -18.006 4.402 1.00 79.14 H new ATOM 0 HD3 LYS A 152 -2.486 -17.481 5.681 1.00 79.14 H new ATOM 0 HE2 LYS A 152 -4.519 -16.315 6.266 1.00 78.68 H new ATOM 0 HE3 LYS A 152 -5.219 -17.026 5.066 1.00 78.68 H new ATOM 0 HZ1 LYS A 152 -5.611 -18.178 6.992 1.00 77.94 H new ATOM 0 HZ2 LYS A 152 -4.841 -19.035 6.106 1.00 77.94 H new ATOM 0 HZ3 LYS A 152 -4.189 -18.373 7.223 1.00 77.94 H new ATOM 1131 N LYS A 153 0.308 -13.457 5.257 1.00 78.61 N ATOM 1132 CA LYS A 153 0.392 -12.462 6.322 1.00 79.22 C ATOM 1133 C LYS A 153 0.819 -11.095 5.792 1.00 78.13 C ATOM 1134 O LYS A 153 0.425 -10.062 6.340 1.00 77.44 O ATOM 1135 CB LYS A 153 1.352 -12.938 7.412 1.00 81.19 C ATOM 1136 CG LYS A 153 0.831 -14.162 8.135 1.00 86.53 C ATOM 1137 CD LYS A 153 -0.473 -13.831 8.859 1.00 90.30 C ATOM 1138 CE LYS A 153 -1.290 -15.077 9.190 1.00 91.54 C ATOM 1139 NZ LYS A 153 -1.816 -15.732 7.952 1.00 92.13 N ATOM 0 H LYS A 153 1.014 -13.938 5.160 1.00 78.61 H new ATOM 0 HA LYS A 153 -0.495 -12.360 6.701 1.00 79.22 H new ATOM 0 HB2 LYS A 153 2.214 -13.140 7.016 1.00 81.19 H new ATOM 0 HB3 LYS A 153 1.494 -12.222 8.051 1.00 81.19 H new ATOM 0 HG2 LYS A 153 0.684 -14.882 7.502 1.00 86.53 H new ATOM 0 HG3 LYS A 153 1.492 -14.476 8.772 1.00 86.53 H new ATOM 0 HD2 LYS A 153 -0.272 -13.352 9.678 1.00 90.30 H new ATOM 0 HD3 LYS A 153 -1.004 -13.237 8.306 1.00 90.30 H new ATOM 0 HE2 LYS A 153 -0.739 -15.706 9.681 1.00 91.54 H new ATOM 0 HE3 LYS A 153 -2.030 -14.836 9.769 1.00 91.54 H new ATOM 0 HZ1 LYS A 153 -2.161 -16.526 8.159 1.00 92.13 H new ATOM 0 HZ2 LYS A 153 -2.448 -15.220 7.590 1.00 92.13 H new ATOM 0 HZ3 LYS A 153 -1.153 -15.840 7.369 1.00 92.13 H new ATOM 1140 N VAL A 154 1.627 -11.089 4.731 1.00 75.89 N ATOM 1141 CA VAL A 154 2.056 -9.835 4.128 1.00 74.08 C ATOM 1142 C VAL A 154 0.780 -9.208 3.566 1.00 73.91 C ATOM 1143 O VAL A 154 0.564 -8.005 3.681 1.00 74.62 O ATOM 1144 CB VAL A 154 3.075 -10.052 2.962 1.00 72.56 C ATOM 1145 CG1 VAL A 154 3.491 -8.712 2.369 1.00 70.00 C ATOM 1146 CG2 VAL A 154 4.295 -10.782 3.461 1.00 71.95 C ATOM 0 H VAL A 154 1.934 -11.796 4.350 1.00 75.89 H new ATOM 0 HA VAL A 154 2.505 -9.281 4.785 1.00 74.08 H new ATOM 0 HB VAL A 154 2.645 -10.585 2.275 1.00 72.56 H new ATOM 0 HG11 VAL A 154 4.122 -8.859 1.648 1.00 70.00 H new ATOM 0 HG12 VAL A 154 2.709 -8.253 2.025 1.00 70.00 H new ATOM 0 HG13 VAL A 154 3.907 -8.169 3.057 1.00 70.00 H new ATOM 0 HG21 VAL A 154 4.918 -10.910 2.729 1.00 71.95 H new ATOM 0 HG22 VAL A 154 4.721 -10.261 4.160 1.00 71.95 H new ATOM 0 HG23 VAL A 154 4.033 -11.646 3.816 1.00 71.95 H new ATOM 1147 N ALA A 155 -0.074 -10.043 2.980 1.00 73.23 N ATOM 1148 CA ALA A 155 -1.330 -9.579 2.403 1.00 72.45 C ATOM 1149 C ALA A 155 -2.218 -8.969 3.481 1.00 71.90 C ATOM 1150 O ALA A 155 -2.956 -8.011 3.233 1.00 70.00 O ATOM 1151 CB ALA A 155 -2.046 -10.732 1.723 1.00 71.44 C ATOM 0 H ALA A 155 0.058 -10.890 2.906 1.00 73.23 H new ATOM 0 HA ALA A 155 -1.136 -8.896 1.742 1.00 72.45 H new ATOM 0 HB1 ALA A 155 -2.880 -10.416 1.342 1.00 71.44 H new ATOM 0 HB2 ALA A 155 -1.485 -11.091 1.018 1.00 71.44 H new ATOM 0 HB3 ALA A 155 -2.231 -11.427 2.374 1.00 71.44 H new ATOM 1152 N GLN A 156 -2.146 -9.528 4.680 1.00 72.67 N ATOM 1153 CA GLN A 156 -2.936 -9.010 5.784 1.00 74.34 C ATOM 1154 C GLN A 156 -2.463 -7.600 6.128 1.00 72.93 C ATOM 1155 O GLN A 156 -3.269 -6.739 6.482 1.00 71.99 O ATOM 1156 CB GLN A 156 -2.806 -9.924 7.004 1.00 77.60 C ATOM 1157 CG GLN A 156 -3.393 -11.315 6.793 1.00 83.38 C ATOM 1158 CD GLN A 156 -3.162 -12.235 7.983 1.00 86.89 C ATOM 1159 OE1 GLN A 156 -3.525 -13.418 7.954 1.00 87.63 O ATOM 1160 NE2 GLN A 156 -2.556 -11.693 9.041 1.00 88.43 N ATOM 0 H GLN A 156 -1.650 -10.203 4.874 1.00 72.67 H new ATOM 0 HA GLN A 156 -3.870 -8.980 5.522 1.00 74.34 H new ATOM 0 HB2 GLN A 156 -1.868 -10.009 7.236 1.00 77.60 H new ATOM 0 HB3 GLN A 156 -3.248 -9.506 7.760 1.00 77.60 H new ATOM 0 HG2 GLN A 156 -4.346 -11.239 6.628 1.00 83.38 H new ATOM 0 HG3 GLN A 156 -2.999 -11.712 6.001 1.00 83.38 H new ATOM 0 HE21 GLN A 156 -2.318 -10.867 9.024 1.00 88.43 H new ATOM 0 HE22 GLN A 156 -2.403 -12.170 9.740 1.00 88.43 H new ATOM 1161 N CYS A 157 -1.154 -7.372 6.017 1.00 71.91 N ATOM 1162 CA CYS A 157 -0.569 -6.063 6.304 1.00 71.00 C ATOM 1163 C CYS A 157 -0.876 -5.063 5.178 1.00 69.25 C ATOM 1164 O CYS A 157 -1.064 -3.869 5.430 1.00 69.78 O ATOM 1165 CB CYS A 157 0.950 -6.191 6.507 1.00 73.42 C ATOM 1166 SG CYS A 157 1.470 -7.013 8.059 1.00 79.10 S ATOM 0 H CYS A 157 -0.584 -7.968 5.775 1.00 71.91 H new ATOM 0 HA CYS A 157 -0.967 -5.727 7.122 1.00 71.00 H new ATOM 0 HB2 CYS A 157 1.320 -6.684 5.758 1.00 73.42 H new ATOM 0 HB3 CYS A 157 1.340 -5.303 6.483 1.00 73.42 H new ATOM 0 HG CYS A 157 1.939 -8.088 7.805 1.00 79.10 H new ATOM 1167 N VAL A 158 -0.944 -5.558 3.945 1.00 66.16 N ATOM 1168 CA VAL A 158 -1.242 -4.721 2.794 1.00 64.45 C ATOM 1169 C VAL A 158 -2.719 -4.335 2.748 1.00 67.99 C ATOM 1170 O VAL A 158 -3.062 -3.227 2.326 1.00 69.20 O ATOM 1171 CB VAL A 158 -0.878 -5.434 1.496 1.00 60.39 C ATOM 1172 CG1 VAL A 158 -1.320 -4.614 0.311 1.00 58.03 C ATOM 1173 CG2 VAL A 158 0.617 -5.651 1.441 1.00 61.34 C ATOM 0 H VAL A 158 -0.818 -6.387 3.755 1.00 66.16 H new ATOM 0 HA VAL A 158 -0.709 -3.916 2.885 1.00 64.45 H new ATOM 0 HB VAL A 158 -1.330 -6.292 1.468 1.00 60.39 H new ATOM 0 HG11 VAL A 158 -1.084 -5.076 -0.509 1.00 58.03 H new ATOM 0 HG12 VAL A 158 -2.281 -4.488 0.345 1.00 58.03 H new ATOM 0 HG13 VAL A 158 -0.880 -3.750 0.333 1.00 58.03 H new ATOM 0 HG21 VAL A 158 0.848 -6.105 0.615 1.00 61.34 H new ATOM 0 HG22 VAL A 158 1.070 -4.794 1.477 1.00 61.34 H new ATOM 0 HG23 VAL A 158 0.893 -6.194 2.196 1.00 61.34 H new ATOM 1174 N ARG A 159 -3.588 -5.254 3.170 1.00 70.36 N ATOM 1175 CA ARG A 159 -5.031 -5.013 3.192 1.00 71.11 C ATOM 1176 C ARG A 159 -5.339 -4.032 4.305 1.00 70.69 C ATOM 1177 O ARG A 159 -6.254 -3.219 4.196 1.00 71.05 O ATOM 1178 CB ARG A 159 -5.793 -6.316 3.462 1.00 74.92 C ATOM 1179 CG ARG A 159 -6.388 -7.012 2.239 1.00 79.51 C ATOM 1180 CD ARG A 159 -6.930 -8.402 2.615 1.00 84.91 C ATOM 1181 NE ARG A 159 -7.756 -9.007 1.565 1.00 90.12 N ATOM 1182 CZ ARG A 159 -8.293 -10.228 1.632 1.00 91.65 C ATOM 1183 NH1 ARG A 159 -9.035 -10.690 0.629 1.00 90.71 N ATOM 1184 NH2 ARG A 159 -8.084 -10.994 2.697 1.00 92.03 N ATOM 0 H ARG A 159 -3.358 -6.033 3.451 1.00 70.36 H new ATOM 0 HA ARG A 159 -5.306 -4.660 2.331 1.00 71.11 H new ATOM 0 HB2 ARG A 159 -5.191 -6.936 3.903 1.00 74.92 H new ATOM 0 HB3 ARG A 159 -6.512 -6.126 4.085 1.00 74.92 H new ATOM 0 HG2 ARG A 159 -7.102 -6.470 1.869 1.00 79.51 H new ATOM 0 HG3 ARG A 159 -5.711 -7.099 1.549 1.00 79.51 H new ATOM 0 HD2 ARG A 159 -6.184 -8.991 2.810 1.00 84.91 H new ATOM 0 HD3 ARG A 159 -7.454 -8.329 3.428 1.00 84.91 H new ATOM 0 HE ARG A 159 -7.905 -8.543 0.856 1.00 90.12 H new ATOM 0 HH11 ARG A 159 -9.170 -10.202 -0.066 1.00 90.71 H new ATOM 0 HH12 ARG A 159 -9.379 -11.477 0.676 1.00 90.71 H new ATOM 0 HH21 ARG A 159 -7.601 -10.704 3.347 1.00 92.03 H new ATOM 0 HH22 ARG A 159 -8.432 -11.780 2.736 1.00 92.03 H new ATOM 1185 N ARG A 160 -4.572 -4.114 5.385 1.00 69.87 N ATOM 1186 CA ARG A 160 -4.789 -3.226 6.509 1.00 70.34 C ATOM 1187 C ARG A 160 -4.246 -1.830 6.226 1.00 70.11 C ATOM 1188 O ARG A 160 -4.810 -0.842 6.692 1.00 70.87 O ATOM 1189 CB ARG A 160 -4.143 -3.791 7.774 1.00 72.05 C ATOM 1190 CG ARG A 160 -4.588 -3.085 9.046 1.00 76.88 C ATOM 1191 CD ARG A 160 -3.861 -3.593 10.294 1.00 83.69 C ATOM 1192 NE ARG A 160 -4.100 -5.015 10.556 1.00 89.78 N ATOM 1193 CZ ARG A 160 -3.603 -5.683 11.598 1.00 91.77 C ATOM 1194 NH1 ARG A 160 -3.874 -6.977 11.755 1.00 91.37 N ATOM 1195 NH2 ARG A 160 -2.835 -5.058 12.484 1.00 92.66 N ATOM 0 H ARG A 160 -3.926 -4.673 5.484 1.00 69.87 H new ATOM 0 HA ARG A 160 -5.747 -3.157 6.647 1.00 70.34 H new ATOM 0 HB2 ARG A 160 -4.356 -4.735 7.844 1.00 72.05 H new ATOM 0 HB3 ARG A 160 -3.179 -3.723 7.695 1.00 72.05 H new ATOM 0 HG2 ARG A 160 -4.433 -2.132 8.953 1.00 76.88 H new ATOM 0 HG3 ARG A 160 -5.543 -3.207 9.161 1.00 76.88 H new ATOM 0 HD2 ARG A 160 -2.908 -3.444 10.190 1.00 83.69 H new ATOM 0 HD3 ARG A 160 -4.147 -3.075 11.062 1.00 83.69 H new ATOM 0 HE ARG A 160 -4.594 -5.448 10.001 1.00 89.78 H new ATOM 0 HH11 ARG A 160 -4.371 -7.385 11.184 1.00 91.37 H new ATOM 0 HH12 ARG A 160 -3.552 -7.405 12.428 1.00 91.37 H new ATOM 0 HH21 ARG A 160 -2.658 -4.222 12.386 1.00 92.66 H new ATOM 0 HH22 ARG A 160 -2.515 -5.489 13.156 1.00 92.66 H new ATOM 1196 N SER A 161 -3.163 -1.734 5.460 1.00 69.26 N ATOM 1197 CA SER A 161 -2.590 -0.421 5.151 1.00 68.48 C ATOM 1198 C SER A 161 -3.468 0.374 4.173 1.00 68.66 C ATOM 1199 O SER A 161 -3.375 1.605 4.095 1.00 68.80 O ATOM 1200 CB SER A 161 -1.176 -0.567 4.572 1.00 66.42 C ATOM 1201 OG SER A 161 -1.204 -1.100 3.258 1.00 67.04 O ATOM 0 H SER A 161 -2.749 -2.403 5.113 1.00 69.26 H new ATOM 0 HA SER A 161 -2.547 0.071 5.986 1.00 68.48 H new ATOM 0 HB2 SER A 161 -0.738 0.299 4.562 1.00 66.42 H new ATOM 0 HB3 SER A 161 -0.649 -1.145 5.145 1.00 66.42 H new ATOM 0 HG SER A 161 -1.810 -1.679 3.203 1.00 67.04 H new ATOM 1202 N GLN A 162 -4.318 -0.332 3.431 1.00 67.84 N ATOM 1203 CA GLN A 162 -5.211 0.303 2.466 1.00 67.99 C ATOM 1204 C GLN A 162 -6.506 0.804 3.114 1.00 70.07 C ATOM 1205 O GLN A 162 -7.264 1.549 2.503 1.00 68.72 O ATOM 1206 CB GLN A 162 -5.549 -0.676 1.342 1.00 65.47 C ATOM 1207 CG GLN A 162 -4.424 -0.904 0.365 1.00 62.49 C ATOM 1208 CD GLN A 162 -4.721 -2.002 -0.645 1.00 61.46 C ATOM 1209 OE1 GLN A 162 -5.736 -2.810 -0.368 1.00 61.64 O flip ATOM 1210 NE2 GLN A 162 -4.033 -2.127 -1.658 1.00 60.96 N flip ATOM 0 H GLN A 162 -4.393 -1.188 3.472 1.00 67.84 H new ATOM 0 HA GLN A 162 -4.743 1.073 2.107 1.00 67.99 H new ATOM 0 HB2 GLN A 162 -5.803 -1.527 1.733 1.00 65.47 H new ATOM 0 HB3 GLN A 162 -6.322 -0.344 0.859 1.00 65.47 H new ATOM 0 HG2 GLN A 162 -4.242 -0.077 -0.109 1.00 62.49 H new ATOM 0 HG3 GLN A 162 -3.619 -1.133 0.855 1.00 62.49 H new ATOM 0 HE21 GLN A 162 -3.382 -1.584 -1.805 1.00 60.96 H new ATOM 0 HE22 GLN A 162 -4.203 -2.757 -2.218 1.00 60.96 H new ATOM 1211 N GLU A 163 -6.757 0.391 4.352 1.00 73.33 N ATOM 1212 CA GLU A 163 -7.956 0.816 5.061 1.00 77.22 C ATOM 1213 C GLU A 163 -7.664 1.686 6.274 1.00 78.75 C ATOM 1214 O GLU A 163 -8.494 1.790 7.177 1.00 79.72 O ATOM 1215 CB GLU A 163 -8.768 -0.408 5.493 1.00 80.01 C ATOM 1216 CG GLU A 163 -9.808 -0.852 4.464 1.00 84.47 C ATOM 1217 CD GLU A 163 -9.884 -2.361 4.314 1.00 87.83 C ATOM 1218 OE1 GLU A 163 -10.685 -2.830 3.470 1.00 88.87 O ATOM 1219 OE2 GLU A 163 -9.140 -3.073 5.034 1.00 89.73 O ATOM 0 H GLU A 163 -6.245 -0.136 4.799 1.00 73.33 H new ATOM 0 HA GLU A 163 -8.464 1.360 4.440 1.00 77.22 H new ATOM 0 HB2 GLU A 163 -8.161 -1.144 5.665 1.00 80.01 H new ATOM 0 HB3 GLU A 163 -9.217 -0.209 6.329 1.00 80.01 H new ATOM 0 HG2 GLU A 163 -10.679 -0.513 4.724 1.00 84.47 H new ATOM 0 HG3 GLU A 163 -9.595 -0.456 3.604 1.00 84.47 H new ATOM 1220 N GLU A 164 -6.497 2.323 6.292 1.00 80.33 N ATOM 1221 CA GLU A 164 -6.114 3.169 7.416 1.00 81.51 C ATOM 1222 C GLU A 164 -5.453 4.471 6.988 1.00 82.55 C ATOM 1223 O GLU A 164 -5.228 4.637 5.770 1.00 83.18 O ATOM 1224 CB GLU A 164 -5.185 2.390 8.342 1.00 81.66 C ATOM 1225 CG GLU A 164 -5.943 1.501 9.304 1.00 85.49 C ATOM 1226 CD GLU A 164 -5.094 0.401 9.915 1.00 86.79 C ATOM 1227 OE1 GLU A 164 -3.920 0.666 10.258 1.00 87.24 O ATOM 1228 OE2 GLU A 164 -5.616 -0.728 10.063 1.00 86.31 O ATOM 1229 OXT GLU A 164 -5.172 5.309 7.876 1.00 82.75 O ATOM 0 H GLU A 164 -5.913 2.278 5.662 1.00 80.33 H new ATOM 0 HA GLU A 164 -6.929 3.415 7.881 1.00 81.51 H new ATOM 0 HB2 GLU A 164 -4.583 1.847 7.810 1.00 81.66 H new ATOM 0 HB3 GLU A 164 -4.637 3.013 8.844 1.00 81.66 H new ATOM 0 HG2 GLU A 164 -6.311 2.048 10.016 1.00 85.49 H new ATOM 0 HG3 GLU A 164 -6.693 1.099 8.838 1.00 85.49 H new TER 1230 GLU A 164 HETATM 1231 O HOH A 165 20.336 -0.818 -1.321 1.00 49.62 O HETATM 1232 O HOH A 166 21.710 18.157 -1.315 1.00 54.49 O HETATM 1233 O HOH A 167 22.439 7.791 -3.370 1.00 48.62 O HETATM 1234 O HOH A 168 15.788 13.051 -5.029 1.00 60.63 O HETATM 1235 O HOH A 169 25.959 7.559 -1.257 1.00 36.30 O HETATM 1236 O HOH A 170 13.516 13.607 16.452 1.00 43.37 O HETATM 1237 O HOH A 171 -7.432 1.115 -1.485 1.00 66.12 O HETATM 1238 O HOH A 172 15.426 17.787 -7.004 1.00 62.55 O HETATM 1239 O HOH A 173 3.513 12.646 3.989 1.00 64.10 O HETATM 1240 O HOH A 174 20.627 6.476 15.997 1.00 59.31 O HETATM 1241 O HOH A 175 0.184 15.186 10.959 1.00 47.56 O HETATM 1242 O HOH A 176 -9.293 -0.083 -2.094 1.00 54.10 O HETATM 1243 O HOH A 177 15.989 2.137 12.777 1.00 53.71 O HETATM 1244 O HOH A 178 -7.119 6.806 9.666 1.00 70.46 O HETATM 1245 O HOH A 179 11.693 12.285 19.210 1.00 68.01 O HETATM 1246 O HOH A 180 8.758 -23.363 0.523 1.00 80.37 O HETATM 1247 O HOH A 181 21.625 -19.279 6.839 1.00 59.94 O HETATM 1248 O HOH A 182 14.784 20.172 -5.736 1.00 53.55 O HETATM 1249 O HOH A 183 11.730 -12.307 15.916 1.00 60.65 O HETATM 1250 O HOH A 184 32.875 -1.469 14.957 1.00 57.16 O HETATM 1251 O HOH A 185 17.280 -18.181 7.423 1.00 71.46 O HETATM 1252 O HOH A 186 14.147 -5.147 21.000 1.00 64.69 O HETATM 1253 O HOH A 187 11.980 6.046 14.946 1.00 51.86 O HETATM 1254 O HOH A 188 21.976 1.202 -0.581 1.00 77.52 O HETATM 1255 O HOH A 189 29.780 1.841 16.957 1.00 57.69 O HETATM 1256 O HOH A 190 -8.154 -4.427 -1.230 1.00 54.58 O HETATM 1257 O HOH A 191 20.662 0.634 -3.277 1.00 53.58 O HETATM 1258 O HOH A 192 -8.054 -5.440 7.319 1.00 56.16 O HETATM 1259 O HOH A 193 0.686 -1.925 -8.121 1.00 63.00 O HETATM 1260 O HOH A 194 9.944 0.775 19.130 1.00 65.14 O HETATM 1261 O HOH A 195 6.164 8.553 -5.072 1.00 63.76 O HETATM 1262 O HOH A 196 16.164 29.344 11.975 1.00 60.55 O HETATM 1263 O HOH A 197 23.298 23.410 11.785 1.00 66.23 O HETATM 1264 O HOH A 198 16.876 -3.301 20.490 1.00 48.34 O HETATM 1265 O HOH A 199 24.524 2.201 -1.244 1.00 52.27 O HETATM 1266 O HOH A 200 14.201 20.421 -8.535 1.00 59.77 O HETATM 1267 O HOH A 201 2.962 18.708 10.152 1.00 69.79 O HETATM 1268 O HOH A 202 30.328 -2.368 13.145 1.00 49.65 O HETATM 1269 O HOH A 203 22.480 16.312 0.418 1.00 58.75 O HETATM 1270 O HOH A 204 18.326 13.395 0.104 1.00 56.55 O HETATM 1271 O HOH A 205 21.789 -16.581 8.017 1.00 55.07 O END