USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE (NUCLEIC ACID,RNA) 13-AUG-91 8RAT TITLE EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X- TITLE 2 RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A TITLE 3 AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBONUCLEASE A; COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.27.5; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 ORGAN: PANCREAS KEYWDS HYDROLASE (NUCLEIC ACID,RNA) EXPDTA X-RAY DIFFRACTION AUTHOR R.F.TILTONJUNIOR,J.C.DEWAN,G.A.PETSKO REVDAT 3 24-FEB-09 8RAT 1 VERSN REVDAT 2 01-APR-03 8RAT 1 JRNL REVDAT 1 15-JUL-93 8RAT 0 JRNL AUTH R.F.TILTON JR.,J.C.DEWAN,G.A.PETSKO JRNL TITL EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND JRNL TITL 2 DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE JRNL TITL 3 PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT JRNL TITL 4 TEMPERATURES FROM 98 TO 320 K. JRNL REF BIOCHEMISTRY V. 31 2469 1992 JRNL REFN ISSN 0006-2960 JRNL PMID 1547232 JRNL DOI 10.1021/BI00124A006 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.C.DEWAN,R.F.TILTON REMARK 1 TITL GREATLY REDUCED RADIATION DAMAGE IN RIBONUCLEASE REMARK 1 TITL 2 CRYSTALS MOUNTED ON GLASS FIBERS REMARK 1 REF J.APPL.CRYSTALLOGR. V. 20 130 1987 REMARK 1 REFN ISSN 0021-8898 REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 14310 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.158 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 951 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.023 ; 0.030 REMARK 3 ANGLE DISTANCE (A) : 0.035 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.045 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.016 ; 0.025 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.158 ; 0.150 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 4.500 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 17.100; 15.000 REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 8RAT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.60 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 19.21500 REMARK 290 SMTRY3 2 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 2 CD GLU A 2 OE2 0.067 REMARK 500 GLU A 9 CD GLU A 9 OE1 0.082 REMARK 500 GLU A 49 CD GLU A 49 OE1 0.104 REMARK 500 GLU A 86 CD GLU A 86 OE2 -0.087 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 8.3 DEGREES REMARK 500 ARG A 10 NE - CZ - NH2 ANGL. DEV. = -5.1 DEGREES REMARK 500 ASP A 14 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 TYR A 25 CG - CD1 - CE1 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 ARG A 33 NE - CZ - NH2 ANGL. DEV. = -4.2 DEGREES REMARK 500 PHE A 46 CB - CG - CD1 ANGL. DEV. = -6.1 DEGREES REMARK 500 ASP A 53 CB - CG - OD1 ANGL. DEV. = 7.6 DEGREES REMARK 500 ASP A 83 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 ARG A 85 CD - NE - CZ ANGL. DEV. = -8.6 DEGREES REMARK 500 ARG A 85 NE - CZ - NH1 ANGL. DEV. = -3.7 DEGREES REMARK 500 GLU A 86 OE1 - CD - OE2 ANGL. DEV. = 13.4 DEGREES REMARK 500 PHE A 120 CB - CG - CD2 ANGL. DEV. = -4.8 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 GLN A 60 -141.63 -99.42 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 39 0.11 SIDE_CHAIN REMARK 500 ARG A 85 0.20 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 8RAT A 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 SHEET 1 A 3 VAL A 43 VAL A 47 0 SHEET 2 A 3 MET A 79 GLU A 86 -1 O THR A 82 N PHE A 46 SHEET 3 A 3 TYR A 97 LYS A 104 -1 N LYS A 98 O ARG A 85 SHEET 1 B 4 LYS A 61 VAL A 63 0 SHEET 2 B 4 CYS A 72 GLN A 74 -1 O CYS A 72 N VAL A 63 SHEET 3 B 4 ILE A 106 GLU A 111 -1 O VAL A 108 N TYR A 73 SHEET 4 B 4 VAL A 116 SER A 123 -1 O VAL A 116 N GLU A 111 SSBOND *** CYS A 26 CYS A 84 1555 1555 2.10 SSBOND *** CYS A 40 CYS A 95 1555 1555 2.12 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.12 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.14 CISPEP 1 TYR A 92 PRO A 93 0 4.77 CISPEP 2 ASN A 113 PRO A 114 0 -0.39 CRYST1 30.270 38.430 53.790 90.00 107.09 90.00 P 1 21 1 2 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 0.033036 0.000000 0.010157 0.00000 SCALE2 0.000000 0.026021 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019450 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 91 LYS NZ :NH3+ -151:sc= 0.0348 (180deg=0) USER MOD Set 1.2: A 94 ASN :FLIP amide:sc= -0.0838 F(o=-1.6,f=-0.049) USER MOD Set 2.1: A 78 THR OG1 : rot 125:sc= 1.27 USER MOD Set 2.2: A 103 ASN : amide:sc= 1.08 K(o=2.3,f=-2.8) USER MOD Set 3.1: A 73 TYR OH : rot -164:sc= 0.0963 USER MOD Set 3.2: A 115 TYR OH : rot 30:sc= 0.0949 USER MOD Set 4.1: A 67 ASN : amide:sc= 1.07 K(o=2.6,f=-6.3!) USER MOD Set 4.2: A 69 GLN : amide:sc= 0.359 K(o=2.6,f=-6.5!) USER MOD Set 4.3: A 71 ASN : amide:sc= 1.16 K(o=2.6,f=-10!) USER MOD Set 5.1: A 17 THR OG1 : rot -99:sc= 0.386 USER MOD Set 5.2: A 25 TYR OH : rot 3:sc= 1.08 USER MOD Set 5.3: A 29 MET CE :methyl -151:sc= -0.14 (180deg=-0.844) USER MOD Set 5.4: A 48 HIS : no HE2:sc= 1.11 K(o=3.8,f=-4.6!) USER MOD Set 5.5: A 82 THR OG1 : rot 84:sc= 1.37 USER MOD Set 6.1: A 11 GLN : amide:sc= 0.0284 K(o=3.9,f=2.5) USER MOD Set 6.2: A 12 HIS : no HE2:sc= 0.833 K(o=3.9,f=0.2!) USER MOD Set 6.3: A 41 LYS NZ :NH3+ -133:sc= 1.25 (180deg=0) USER MOD Set 6.4: A 44 ASN : amide:sc= 1.79 K(o=3.9,f=-5.4) USER MOD Set 7.1: A 30 MET CE :methyl 136:sc= -0.0188 (180deg=-0.705) USER MOD Set 7.2: A 97 TYR OH : rot 171:sc= 1.26 USER MOD Set 8.1: A 24 ASN : amide:sc= 0.233 K(o=1.3,f=-2.8!) USER MOD Set 8.2: A 27 ASN : amide:sc= 1.06 K(o=1.3,f=-5.8!) USER MOD Single : A 1 LYS N :NH3+ 176:sc= -0.221 (180deg=-0.292) USER MOD Single : A 1 LYS NZ :NH3+ -151:sc= -0.38 (180deg=-1.61!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.267 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -162:sc= -0.209 (180deg=-0.884) USER MOD Single : A 15 SER OG : rot -52:sc= 1.15 USER MOD Single : A 16 SER OG : rot -68:sc= 0.539 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.42) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0548 X(o=-0.055,f=-0.0044) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0.00525 (180deg=0.00522) USER MOD Single : A 45 THR OG1 : rot -81:sc= 0.402 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0429 K(o=-0.043,f=-0.91) USER MOD Single : A 59 SER OG : rot -45:sc= 0.198 USER MOD Single : A 60 GLN : amide:sc= -0.228 K(o=-0.23,f=-3.5!) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.0887 (180deg=-0.494) USER MOD Single : A 62 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0083) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc=-0.00587 X(o=-0.0059,f=-0.11) USER MOD Single : A 75 SER OG : rot 96:sc= 1.55 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -167:sc= 0.83 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -116:sc= 1.31 USER MOD Single : A 92 TYR OH : rot 9:sc= 0.998 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 121:sc= 0.189 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.72! K(o=-0.72!,f=-1.2) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS :FLIP no HE2:sc= 0.27 F(o=-1.2,f=0.27) USER MOD Single : A 113 ASN : amide:sc=-0.00552 X(o=-0.0055,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0.596 K(o=0.6,f=-2.2!) USER MOD Single : A 123 SER OG : rot 176:sc= -1.78! USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 27.358 45.540 53.677 1.00 24.92 N ATOM 2 CA LYS A 1 27.127 44.310 52.854 1.00 17.04 C ATOM 3 C LYS A 1 26.372 44.733 51.569 1.00 8.25 C ATOM 4 O LYS A 1 26.010 45.885 51.466 1.00 16.79 O ATOM 5 CB LYS A 1 26.375 43.234 53.626 1.00 20.77 C ATOM 6 CG LYS A 1 25.558 43.695 54.808 1.00 45.41 C ATOM 7 CD LYS A 1 25.334 42.465 55.734 1.00 54.06 C ATOM 8 CE LYS A 1 24.252 41.581 55.117 1.00 62.26 C ATOM 9 NZ LYS A 1 23.029 42.427 54.860 1.00 63.92 N ATOM 0 H1 LYS A 1 27.740 45.314 54.449 1.00 24.92 H new ATOM 0 H2 LYS A 1 27.892 46.098 53.234 1.00 24.92 H new ATOM 0 H3 LYS A 1 26.580 45.940 53.838 1.00 24.92 H new ATOM 0 HA LYS A 1 27.979 43.910 52.620 1.00 17.04 H new ATOM 0 HB2 LYS A 1 25.783 42.776 53.009 1.00 20.77 H new ATOM 0 HB3 LYS A 1 27.019 42.580 53.940 1.00 20.77 H new ATOM 0 HG2 LYS A 1 26.019 44.402 55.286 1.00 45.41 H new ATOM 0 HG3 LYS A 1 24.708 44.059 54.514 1.00 45.41 H new ATOM 0 HD2 LYS A 1 26.159 41.966 55.836 1.00 54.06 H new ATOM 0 HD3 LYS A 1 25.067 42.755 56.620 1.00 54.06 H new ATOM 0 HE2 LYS A 1 24.570 41.188 54.289 1.00 62.26 H new ATOM 0 HE3 LYS A 1 24.035 40.848 55.714 1.00 62.26 H new ATOM 0 HZ1 LYS A 1 22.300 41.919 54.910 1.00 63.92 H new ATOM 0 HZ2 LYS A 1 22.982 43.074 55.469 1.00 63.92 H new ATOM 0 HZ3 LYS A 1 23.083 42.788 54.048 1.00 63.92 H new ATOM 10 N GLU A 2 26.277 43.733 50.695 1.00 10.07 N ATOM 11 CA GLU A 2 25.583 44.002 49.410 1.00 12.17 C ATOM 12 C GLU A 2 24.188 44.464 49.615 1.00 4.09 C ATOM 13 O GLU A 2 23.435 43.849 50.489 1.00 8.24 O ATOM 14 CB GLU A 2 25.547 42.696 48.638 1.00 11.89 C ATOM 15 CG GLU A 2 24.961 42.734 47.199 1.00 7.12 C ATOM 16 CD GLU A 2 24.982 41.274 46.736 1.00 12.39 C ATOM 17 OE1 GLU A 2 24.821 40.313 47.456 1.00 9.96 O ATOM 18 OE2 GLU A 2 25.256 41.159 45.451 1.00 10.25 O ATOM 0 H GLU A 2 26.582 42.936 50.804 1.00 10.07 H new ATOM 0 HA GLU A 2 26.059 44.702 48.936 1.00 12.17 H new ATOM 0 HB2 GLU A 2 26.453 42.354 48.584 1.00 11.89 H new ATOM 0 HB3 GLU A 2 25.033 42.056 49.155 1.00 11.89 H new ATOM 0 HG2 GLU A 2 24.060 43.093 47.194 1.00 7.12 H new ATOM 0 HG3 GLU A 2 25.494 43.297 46.616 1.00 7.12 H new ATOM 19 N THR A 3 23.788 45.540 48.947 1.00 6.42 N ATOM 20 CA THR A 3 22.424 46.078 49.050 1.00 12.22 C ATOM 21 C THR A 3 21.449 45.040 48.381 1.00 17.47 C ATOM 22 O THR A 3 21.823 44.194 47.559 1.00 8.28 O ATOM 23 CB THR A 3 22.265 47.461 48.484 1.00 21.37 C ATOM 24 OG1 THR A 3 22.435 47.307 47.045 1.00 14.24 O ATOM 25 CG2 THR A 3 23.288 48.499 48.998 1.00 17.32 C ATOM 0 H THR A 3 24.299 45.985 48.417 1.00 6.42 H new ATOM 0 HA THR A 3 22.206 46.191 49.988 1.00 12.22 H new ATOM 0 HB THR A 3 21.401 47.807 48.756 1.00 21.37 H new ATOM 0 HG1 THR A 3 22.354 48.055 46.671 1.00 14.24 H new ATOM 0 HG21 THR A 3 23.113 49.358 48.584 1.00 17.32 H new ATOM 0 HG22 THR A 3 23.208 48.583 49.961 1.00 17.32 H new ATOM 0 HG23 THR A 3 24.185 48.208 48.772 1.00 17.32 H new ATOM 26 N ALA A 4 20.203 45.155 48.793 1.00 10.73 N ATOM 27 CA ALA A 4 19.089 44.348 48.279 1.00 7.75 C ATOM 28 C ALA A 4 19.049 44.656 46.736 1.00 9.38 C ATOM 29 O ALA A 4 18.907 43.656 46.016 1.00 10.04 O ATOM 30 CB ALA A 4 17.794 44.579 48.947 1.00 11.32 C ATOM 0 H ALA A 4 19.964 45.718 49.397 1.00 10.73 H new ATOM 0 HA ALA A 4 19.240 43.408 48.464 1.00 7.75 H new ATOM 0 HB1 ALA A 4 17.118 44.009 48.548 1.00 11.32 H new ATOM 0 HB2 ALA A 4 17.875 44.372 49.891 1.00 11.32 H new ATOM 0 HB3 ALA A 4 17.536 45.508 48.841 1.00 11.32 H new ATOM 31 N ALA A 5 19.251 45.885 46.376 1.00 6.86 N ATOM 32 CA ALA A 5 19.209 46.308 44.937 1.00 13.47 C ATOM 33 C ALA A 5 20.324 45.616 44.165 1.00 10.65 C ATOM 34 O ALA A 5 20.036 45.040 43.034 1.00 7.77 O ATOM 35 CB ALA A 5 19.333 47.768 44.731 1.00 11.80 C ATOM 0 H ALA A 5 19.419 46.523 46.927 1.00 6.86 H new ATOM 0 HA ALA A 5 18.333 46.048 44.612 1.00 13.47 H new ATOM 0 HB1 ALA A 5 19.298 47.965 43.782 1.00 11.80 H new ATOM 0 HB2 ALA A 5 18.604 48.222 45.182 1.00 11.80 H new ATOM 0 HB3 ALA A 5 20.179 48.075 45.093 1.00 11.80 H new ATOM 36 N ALA A 6 21.558 45.655 44.680 1.00 13.18 N ATOM 37 CA ALA A 6 22.702 45.002 44.011 1.00 10.69 C ATOM 38 C ALA A 6 22.506 43.503 43.960 1.00 4.25 C ATOM 39 O ALA A 6 22.973 42.888 42.931 1.00 7.79 O ATOM 40 CB ALA A 6 23.994 45.347 44.731 1.00 9.69 C ATOM 0 H ALA A 6 21.758 46.053 45.416 1.00 13.18 H new ATOM 0 HA ALA A 6 22.756 45.330 43.100 1.00 10.69 H new ATOM 0 HB1 ALA A 6 24.739 44.914 44.285 1.00 9.69 H new ATOM 0 HB2 ALA A 6 24.125 46.308 44.719 1.00 9.69 H new ATOM 0 HB3 ALA A 6 23.945 45.039 45.650 1.00 9.69 H new ATOM 41 N LYS A 7 21.948 42.926 44.988 1.00 4.07 N ATOM 42 CA LYS A 7 21.720 41.428 45.039 1.00 4.74 C ATOM 43 C LYS A 7 20.736 41.043 43.908 1.00 9.25 C ATOM 44 O LYS A 7 20.897 40.006 43.188 1.00 7.06 O ATOM 45 CB LYS A 7 21.127 41.043 46.376 1.00 10.25 C ATOM 46 CG LYS A 7 20.930 39.468 46.428 1.00 11.98 C ATOM 47 CD LYS A 7 20.321 39.275 47.816 1.00 22.85 C ATOM 48 CE LYS A 7 19.201 38.238 47.816 1.00 55.20 C ATOM 49 NZ LYS A 7 18.189 38.622 48.844 1.00 63.65 N ATOM 0 H LYS A 7 21.680 43.349 45.687 1.00 4.07 H new ATOM 0 HA LYS A 7 22.563 40.962 44.924 1.00 4.74 H new ATOM 0 HB2 LYS A 7 21.711 41.330 47.095 1.00 10.25 H new ATOM 0 HB3 LYS A 7 20.276 41.490 46.505 1.00 10.25 H new ATOM 0 HG2 LYS A 7 20.341 39.152 45.725 1.00 11.98 H new ATOM 0 HG3 LYS A 7 21.770 38.993 46.330 1.00 11.98 H new ATOM 0 HD2 LYS A 7 21.014 39.000 48.436 1.00 22.85 H new ATOM 0 HD3 LYS A 7 19.975 40.123 48.136 1.00 22.85 H new ATOM 0 HE2 LYS A 7 18.788 38.190 46.940 1.00 55.20 H new ATOM 0 HE3 LYS A 7 19.559 37.357 48.010 1.00 55.20 H new ATOM 0 HZ1 LYS A 7 17.531 38.023 48.852 1.00 63.65 H new ATOM 0 HZ2 LYS A 7 18.575 38.648 49.646 1.00 63.65 H new ATOM 0 HZ3 LYS A 7 17.857 39.424 48.649 1.00 63.65 H new ATOM 50 N PHE A 8 19.724 41.889 43.754 1.00 5.50 N ATOM 51 CA PHE A 8 18.754 41.581 42.674 1.00 4.03 C ATOM 52 C PHE A 8 19.498 41.581 41.338 1.00 5.46 C ATOM 53 O PHE A 8 19.236 40.697 40.515 1.00 5.72 O ATOM 54 CB PHE A 8 17.618 42.580 42.726 1.00 7.90 C ATOM 55 CG PHE A 8 16.634 42.427 41.595 1.00 3.47 C ATOM 56 CD1 PHE A 8 16.907 43.080 40.412 1.00 6.17 C ATOM 57 CD2 PHE A 8 15.467 41.735 41.749 1.00 6.73 C ATOM 58 CE1 PHE A 8 16.028 42.926 39.332 1.00 7.41 C ATOM 59 CE2 PHE A 8 14.572 41.543 40.721 1.00 9.60 C ATOM 60 CZ PHE A 8 14.861 42.158 39.487 1.00 3.84 C ATOM 0 H PHE A 8 19.575 42.598 44.218 1.00 5.50 H new ATOM 0 HA PHE A 8 18.359 40.702 42.787 1.00 4.03 H new ATOM 0 HB2 PHE A 8 17.149 42.482 43.569 1.00 7.90 H new ATOM 0 HB3 PHE A 8 17.985 43.478 42.708 1.00 7.90 H new ATOM 0 HD1 PHE A 8 17.664 43.615 40.332 1.00 6.17 H new ATOM 0 HD2 PHE A 8 15.268 41.378 42.584 1.00 6.73 H new ATOM 0 HE1 PHE A 8 16.216 43.330 38.516 1.00 7.41 H new ATOM 0 HE2 PHE A 8 13.807 41.028 40.837 1.00 9.60 H new ATOM 0 HZ PHE A 8 14.276 42.055 38.771 1.00 3.84 H new ATOM 61 N GLU A 9 20.364 42.619 41.080 1.00 3.14 N ATOM 62 CA GLU A 9 21.123 42.657 39.795 1.00 3.21 C ATOM 63 C GLU A 9 21.973 41.428 39.589 1.00 8.48 C ATOM 64 O GLU A 9 22.002 40.813 38.510 1.00 7.93 O ATOM 65 CB GLU A 9 21.987 43.887 39.641 1.00 7.05 C ATOM 66 CG GLU A 9 21.066 45.155 39.487 1.00 13.05 C ATOM 67 CD GLU A 9 21.915 46.423 39.384 1.00 35.43 C ATOM 68 OE1 GLU A 9 23.014 46.193 38.664 1.00 24.51 O ATOM 69 OE2 GLU A 9 21.590 47.461 39.949 1.00 30.16 O ATOM 0 H GLU A 9 20.515 43.276 41.614 1.00 3.14 H new ATOM 0 HA GLU A 9 20.435 42.686 39.112 1.00 3.21 H new ATOM 0 HB2 GLU A 9 22.566 43.987 40.413 1.00 7.05 H new ATOM 0 HB3 GLU A 9 22.562 43.796 38.865 1.00 7.05 H new ATOM 0 HG2 GLU A 9 20.512 45.065 38.696 1.00 13.05 H new ATOM 0 HG3 GLU A 9 20.467 45.221 40.247 1.00 13.05 H new ATOM 70 N ARG A 10 22.716 41.005 40.618 1.00 2.47 N ATOM 71 CA ARG A 10 23.549 39.852 40.566 1.00 1.40 C ATOM 72 C ARG A 10 22.765 38.545 40.361 1.00 0.93 C ATOM 73 O ARG A 10 23.228 37.623 39.641 1.00 5.62 O ATOM 74 CB ARG A 10 24.319 39.698 41.903 1.00 7.93 C ATOM 75 CG ARG A 10 25.333 38.545 41.852 1.00 8.69 C ATOM 76 CD ARG A 10 26.195 38.584 43.086 1.00 8.75 C ATOM 77 NE ARG A 10 25.437 38.661 44.371 1.00 5.97 N ATOM 78 CZ ARG A 10 25.005 37.585 44.988 1.00 14.67 C ATOM 79 NH1 ARG A 10 25.071 36.278 44.577 1.00 11.24 N ATOM 80 NH2 ARG A 10 24.339 37.815 46.171 1.00 9.01 N ATOM 0 H ARG A 10 22.735 41.407 41.378 1.00 2.47 H new ATOM 0 HA ARG A 10 24.140 39.990 39.810 1.00 1.40 H new ATOM 0 HB2 ARG A 10 24.782 40.526 42.106 1.00 7.93 H new ATOM 0 HB3 ARG A 10 23.688 39.541 42.623 1.00 7.93 H new ATOM 0 HG2 ARG A 10 24.869 37.695 41.796 1.00 8.69 H new ATOM 0 HG3 ARG A 10 25.884 38.620 41.057 1.00 8.69 H new ATOM 0 HD2 ARG A 10 26.754 37.792 43.101 1.00 8.75 H new ATOM 0 HD3 ARG A 10 26.789 39.349 43.028 1.00 8.75 H new ATOM 0 HE ARG A 10 25.279 39.432 44.717 1.00 5.97 H new ATOM 0 HH11 ARG A 10 25.434 36.082 43.822 1.00 11.24 H new ATOM 0 HH12 ARG A 10 24.750 35.654 45.074 1.00 11.24 H new ATOM 0 HH21 ARG A 10 24.232 38.620 46.455 1.00 9.01 H new ATOM 0 HH22 ARG A 10 24.030 37.154 46.626 1.00 9.01 H new ATOM 81 N GLN A 11 21.680 38.353 41.132 1.00 4.03 N ATOM 82 CA GLN A 11 20.910 37.162 40.978 1.00 6.40 C ATOM 83 C GLN A 11 20.064 37.008 39.692 1.00 2.37 C ATOM 84 O GLN A 11 19.828 35.894 39.281 1.00 6.31 O ATOM 85 CB GLN A 11 19.911 36.970 42.160 1.00 7.32 C ATOM 86 CG GLN A 11 20.621 36.547 43.394 1.00 20.36 C ATOM 87 CD GLN A 11 19.729 36.047 44.525 1.00 28.58 C ATOM 88 OE1 GLN A 11 18.519 36.201 44.422 1.00 21.31 O ATOM 89 NE2 GLN A 11 20.397 35.509 45.502 1.00 31.34 N ATOM 0 H GLN A 11 21.397 38.901 41.731 1.00 4.03 H new ATOM 0 HA GLN A 11 21.614 36.496 40.940 1.00 6.40 H new ATOM 0 HB2 GLN A 11 19.436 37.800 42.324 1.00 7.32 H new ATOM 0 HB3 GLN A 11 19.246 36.305 41.921 1.00 7.32 H new ATOM 0 HG2 GLN A 11 21.248 35.844 43.163 1.00 20.36 H new ATOM 0 HG3 GLN A 11 21.143 37.296 43.721 1.00 20.36 H new ATOM 0 HE21 GLN A 11 21.254 35.457 45.459 1.00 31.34 H new ATOM 0 HE22 GLN A 11 19.982 35.205 46.191 1.00 31.34 H new ATOM 90 N HIS A 12 19.541 38.161 39.230 1.00 3.39 N ATOM 91 CA HIS A 12 18.541 38.123 38.150 1.00 4.01 C ATOM 92 C HIS A 12 18.815 38.814 36.864 1.00 10.89 C ATOM 93 O HIS A 12 18.026 38.545 35.888 1.00 10.07 O ATOM 94 CB HIS A 12 17.201 38.699 38.767 1.00 7.11 C ATOM 95 CG HIS A 12 16.747 37.892 39.949 1.00 5.34 C ATOM 96 ND1 HIS A 12 16.369 36.547 39.898 1.00 3.74 N ATOM 97 CD2 HIS A 12 16.669 38.315 41.286 1.00 8.60 C ATOM 98 CE1 HIS A 12 16.020 36.201 41.132 1.00 7.79 C ATOM 99 NE2 HIS A 12 16.175 37.200 42.006 1.00 5.90 N ATOM 0 H HIS A 12 19.744 38.946 39.518 1.00 3.39 H new ATOM 0 HA HIS A 12 18.522 37.194 37.870 1.00 4.01 H new ATOM 0 HB2 HIS A 12 17.338 39.621 39.037 1.00 7.11 H new ATOM 0 HB3 HIS A 12 16.507 38.702 38.090 1.00 7.11 H new ATOM 0 HD1 HIS A 12 16.364 36.041 39.202 1.00 3.74 H new ATOM 0 HD2 HIS A 12 16.894 39.151 41.627 1.00 8.60 H new ATOM 0 HE1 HIS A 12 15.703 35.357 41.362 1.00 7.79 H new ATOM 100 N MET A 13 19.831 39.621 36.710 1.00 5.89 N ATOM 101 CA MET A 13 20.014 40.390 35.425 1.00 4.60 C ATOM 102 C MET A 13 21.040 39.852 34.551 1.00 5.21 C ATOM 103 O MET A 13 22.185 39.583 34.962 1.00 6.77 O ATOM 104 CB MET A 13 20.327 41.850 35.785 1.00 4.19 C ATOM 105 CG MET A 13 19.276 42.696 36.350 1.00 8.11 C ATOM 106 SD MET A 13 17.744 42.773 35.425 1.00 8.72 S ATOM 107 CE MET A 13 18.507 43.387 33.831 1.00 9.43 C ATOM 0 H MET A 13 20.436 39.761 37.305 1.00 5.89 H new ATOM 0 HA MET A 13 19.189 40.317 34.920 1.00 4.60 H new ATOM 0 HB2 MET A 13 21.064 41.842 36.416 1.00 4.19 H new ATOM 0 HB3 MET A 13 20.648 42.285 34.980 1.00 4.19 H new ATOM 0 HG2 MET A 13 19.077 42.379 37.245 1.00 8.11 H new ATOM 0 HG3 MET A 13 19.624 43.597 36.439 1.00 8.11 H new ATOM 0 HE1 MET A 13 17.816 43.768 33.267 1.00 9.43 H new ATOM 0 HE2 MET A 13 19.171 44.065 34.030 1.00 9.43 H new ATOM 0 HE3 MET A 13 18.930 42.647 33.368 1.00 9.43 H new ATOM 108 N ASP A 14 20.755 39.698 33.214 1.00 4.36 N ATOM 109 CA ASP A 14 21.796 39.314 32.289 1.00 5.29 C ATOM 110 C ASP A 14 21.571 40.159 30.952 1.00 7.51 C ATOM 111 O ASP A 14 21.008 39.544 30.026 1.00 7.33 O ATOM 112 CB ASP A 14 21.921 37.815 31.980 1.00 5.83 C ATOM 113 CG ASP A 14 23.099 37.585 31.003 1.00 11.37 C ATOM 114 OD1 ASP A 14 23.874 38.507 30.746 1.00 7.29 O ATOM 115 OD2 ASP A 14 23.076 36.470 30.489 1.00 11.27 O ATOM 0 H ASP A 14 19.979 39.815 32.862 1.00 4.36 H new ATOM 0 HA ASP A 14 22.642 39.511 32.720 1.00 5.29 H new ATOM 0 HB2 ASP A 14 22.066 37.317 32.800 1.00 5.83 H new ATOM 0 HB3 ASP A 14 21.096 37.485 31.590 1.00 5.83 H new ATOM 116 N SER A 15 22.009 41.351 31.003 1.00 4.74 N ATOM 117 CA SER A 15 21.858 42.273 29.821 1.00 8.52 C ATOM 118 C SER A 15 22.796 41.927 28.741 1.00 10.16 C ATOM 119 O SER A 15 22.659 42.542 27.610 1.00 9.33 O ATOM 120 CB SER A 15 22.185 43.733 30.335 1.00 5.48 C ATOM 121 OG SER A 15 21.188 44.041 31.312 1.00 24.30 O ATOM 0 H SER A 15 22.403 41.697 31.685 1.00 4.74 H new ATOM 0 HA SER A 15 20.959 42.201 29.463 1.00 8.52 H new ATOM 0 HB2 SER A 15 23.074 43.774 30.721 1.00 5.48 H new ATOM 0 HB3 SER A 15 22.164 44.371 29.605 1.00 5.48 H new ATOM 0 HG SER A 15 20.425 43.908 30.986 1.00 24.30 H new ATOM 122 N SER A 16 23.731 41.043 28.947 1.00 9.24 N ATOM 123 CA SER A 16 24.789 40.697 27.970 1.00 12.04 C ATOM 124 C SER A 16 24.380 39.737 26.839 1.00 10.26 C ATOM 125 O SER A 16 25.134 39.583 25.862 1.00 16.99 O ATOM 126 CB SER A 16 26.004 40.044 28.741 1.00 21.14 C ATOM 127 OG SER A 16 25.715 38.661 28.895 1.00 22.63 O ATOM 0 H SER A 16 23.791 40.597 29.680 1.00 9.24 H new ATOM 0 HA SER A 16 25.010 41.537 27.539 1.00 12.04 H new ATOM 0 HB2 SER A 16 26.829 40.168 28.246 1.00 21.14 H new ATOM 0 HB3 SER A 16 26.126 40.466 29.606 1.00 21.14 H new ATOM 0 HG SER A 16 25.069 38.567 29.424 1.00 22.63 H new ATOM 128 N THR A 17 23.257 39.122 27.044 1.00 7.59 N ATOM 129 CA THR A 17 22.740 38.123 26.067 1.00 7.90 C ATOM 130 C THR A 17 21.244 38.392 25.913 1.00 10.60 C ATOM 131 O THR A 17 20.596 38.891 26.839 1.00 9.45 O ATOM 132 CB THR A 17 23.052 36.662 26.530 1.00 13.51 C ATOM 133 OG1 THR A 17 22.295 36.393 27.713 1.00 12.77 O ATOM 134 CG2 THR A 17 24.532 36.470 26.736 1.00 22.76 C ATOM 0 H THR A 17 22.755 39.246 27.732 1.00 7.59 H new ATOM 0 HA THR A 17 23.178 38.212 25.206 1.00 7.90 H new ATOM 0 HB THR A 17 22.792 36.027 25.844 1.00 13.51 H new ATOM 0 HG1 THR A 17 22.785 36.493 28.388 1.00 12.77 H new ATOM 0 HG21 THR A 17 24.704 35.559 27.022 1.00 22.76 H new ATOM 0 HG22 THR A 17 25.000 36.640 25.903 1.00 22.76 H new ATOM 0 HG23 THR A 17 24.847 37.087 27.415 1.00 22.76 H new ATOM 135 N SER A 18 20.729 38.007 24.731 1.00 10.70 N ATOM 136 CA SER A 18 19.311 38.199 24.422 1.00 12.78 C ATOM 137 C SER A 18 18.487 37.047 24.936 1.00 5.26 C ATOM 138 O SER A 18 17.303 37.162 25.142 1.00 8.51 O ATOM 139 CB SER A 18 19.012 38.430 22.931 1.00 12.53 C ATOM 140 OG SER A 18 19.900 37.546 22.211 1.00 26.52 O ATOM 0 H SER A 18 21.185 37.636 24.103 1.00 10.70 H new ATOM 0 HA SER A 18 19.062 39.017 24.880 1.00 12.78 H new ATOM 0 HB2 SER A 18 18.084 38.233 22.727 1.00 12.53 H new ATOM 0 HB3 SER A 18 19.166 39.355 22.684 1.00 12.53 H new ATOM 0 HG SER A 18 19.774 37.634 21.385 1.00 26.52 H new ATOM 141 N ALA A 19 19.242 35.894 25.039 1.00 6.59 N ATOM 142 CA ALA A 19 18.571 34.664 25.450 1.00 10.11 C ATOM 143 C ALA A 19 19.671 33.626 25.810 1.00 8.07 C ATOM 144 O ALA A 19 20.841 33.818 25.450 1.00 13.75 O ATOM 145 CB ALA A 19 17.616 34.126 24.422 1.00 11.69 C ATOM 0 H ALA A 19 20.085 35.830 24.881 1.00 6.59 H new ATOM 0 HA ALA A 19 18.013 34.856 26.220 1.00 10.11 H new ATOM 0 HB1 ALA A 19 17.206 33.313 24.755 1.00 11.69 H new ATOM 0 HB2 ALA A 19 16.927 34.785 24.244 1.00 11.69 H new ATOM 0 HB3 ALA A 19 18.098 33.932 23.603 1.00 11.69 H new ATOM 146 N ALA A 20 19.223 32.589 26.479 1.00 6.51 N ATOM 147 CA ALA A 20 20.172 31.513 26.839 1.00 4.73 C ATOM 148 C ALA A 20 20.569 30.821 25.450 1.00 9.90 C ATOM 149 O ALA A 20 19.609 30.513 24.731 1.00 13.94 O ATOM 150 CB ALA A 20 19.449 30.513 27.713 1.00 6.96 C ATOM 0 H ALA A 20 18.410 32.473 26.734 1.00 6.51 H new ATOM 0 HA ALA A 20 20.951 31.840 27.315 1.00 4.73 H new ATOM 0 HB1 ALA A 20 20.057 29.799 27.959 1.00 6.96 H new ATOM 0 HB2 ALA A 20 19.129 30.955 28.515 1.00 6.96 H new ATOM 0 HB3 ALA A 20 18.696 30.142 27.226 1.00 6.96 H new ATOM 151 N SER A 21 21.797 30.590 25.296 1.00 9.67 N ATOM 152 CA SER A 21 22.313 30.014 24.011 1.00 30.44 C ATOM 153 C SER A 21 22.647 28.553 23.908 1.00 22.25 C ATOM 154 O SER A 21 22.858 27.977 22.828 1.00 14.55 O ATOM 155 CB SER A 21 23.500 30.859 23.497 1.00 15.95 C ATOM 156 OG SER A 21 24.687 30.706 24.165 1.00 34.70 O ATOM 0 H SER A 21 22.399 30.740 25.892 1.00 9.67 H new ATOM 0 HA SER A 21 21.521 30.065 23.453 1.00 30.44 H new ATOM 0 HB2 SER A 21 23.646 30.643 22.563 1.00 15.95 H new ATOM 0 HB3 SER A 21 23.247 31.795 23.535 1.00 15.95 H new ATOM 0 HG SER A 21 25.270 31.200 23.817 1.00 34.70 H new ATOM 157 N SER A 22 22.663 27.862 25.039 1.00 9.88 N ATOM 158 CA SER A 22 22.919 26.401 25.090 1.00 10.22 C ATOM 159 C SER A 22 22.296 25.863 26.427 1.00 14.75 C ATOM 160 O SER A 22 21.967 26.670 27.301 1.00 8.40 O ATOM 161 CB SER A 22 24.388 26.056 25.039 1.00 11.49 C ATOM 162 OG SER A 22 25.052 26.209 26.324 1.00 10.65 O ATOM 0 H SER A 22 22.526 28.217 25.810 1.00 9.88 H new ATOM 0 HA SER A 22 22.517 25.989 24.309 1.00 10.22 H new ATOM 0 HB2 SER A 22 24.490 25.141 24.735 1.00 11.49 H new ATOM 0 HB3 SER A 22 24.826 26.623 24.385 1.00 11.49 H new ATOM 0 HG SER A 22 25.863 26.005 26.246 1.00 10.65 H new ATOM 163 N SER A 23 22.129 24.595 26.479 1.00 7.72 N ATOM 164 CA SER A 23 21.584 23.903 27.661 1.00 7.60 C ATOM 165 C SER A 23 22.476 24.172 28.895 1.00 6.10 C ATOM 166 O SER A 23 21.916 23.980 30.026 1.00 9.35 O ATOM 167 CB SER A 23 21.435 22.366 27.456 1.00 14.05 C ATOM 168 OG SER A 23 22.709 21.828 27.250 1.00 13.88 O ATOM 0 H SER A 23 22.324 24.067 25.829 1.00 7.72 H new ATOM 0 HA SER A 23 20.694 24.262 27.803 1.00 7.60 H new ATOM 0 HB2 SER A 23 21.018 21.960 28.232 1.00 14.05 H new ATOM 0 HB3 SER A 23 20.862 22.180 26.696 1.00 14.05 H new ATOM 0 HG SER A 23 22.648 20.998 27.139 1.00 13.88 H new ATOM 169 N ASN A 24 23.704 24.595 28.741 1.00 6.79 N ATOM 170 CA ASN A 24 24.597 24.826 29.872 1.00 8.49 C ATOM 171 C ASN A 24 24.514 26.248 30.438 1.00 6.19 C ATOM 172 O ASN A 24 25.319 26.517 31.363 1.00 7.28 O ATOM 173 CB ASN A 24 26.056 24.480 29.461 1.00 13.37 C ATOM 174 CG ASN A 24 26.201 22.981 29.872 1.00 45.79 C ATOM 175 OD1 ASN A 24 26.216 22.674 31.106 1.00 41.77 O ATOM 176 ND2 ASN A 24 26.215 22.213 28.844 1.00 31.84 N ATOM 0 H ASN A 24 24.058 24.761 27.975 1.00 6.79 H new ATOM 0 HA ASN A 24 24.306 24.241 30.589 1.00 8.49 H new ATOM 0 HB2 ASN A 24 26.199 24.606 28.510 1.00 13.37 H new ATOM 0 HB3 ASN A 24 26.700 25.041 29.921 1.00 13.37 H new ATOM 0 HD21 ASN A 24 26.238 21.359 28.945 1.00 31.84 H new ATOM 0 HD22 ASN A 24 26.202 22.552 28.054 1.00 31.84 H new ATOM 177 N TYR A 25 23.659 27.055 29.872 1.00 5.92 N ATOM 178 CA TYR A 25 23.547 28.438 30.335 1.00 4.16 C ATOM 179 C TYR A 25 23.345 28.515 31.877 1.00 9.39 C ATOM 180 O TYR A 25 24.153 29.168 32.597 1.00 4.66 O ATOM 181 CB TYR A 25 22.376 29.130 29.615 1.00 2.28 C ATOM 182 CG TYR A 25 22.187 30.590 30.129 1.00 4.71 C ATOM 183 CD1 TYR A 25 23.027 31.628 29.564 1.00 5.46 C ATOM 184 CD2 TYR A 25 21.251 30.821 31.106 1.00 6.91 C ATOM 185 CE1 TYR A 25 22.809 32.935 30.078 1.00 4.36 C ATOM 186 CE2 TYR A 25 21.139 32.127 31.569 1.00 9.92 C ATOM 187 CZ TYR A 25 21.903 33.165 31.055 1.00 8.11 C ATOM 188 OH TYR A 25 21.668 34.433 31.620 1.00 9.98 O ATOM 0 H TYR A 25 23.134 26.841 29.226 1.00 5.92 H new ATOM 0 HA TYR A 25 24.377 28.893 30.125 1.00 4.16 H new ATOM 0 HB2 TYR A 25 22.540 29.139 28.659 1.00 2.28 H new ATOM 0 HB3 TYR A 25 21.560 28.625 29.758 1.00 2.28 H new ATOM 0 HD1 TYR A 25 23.664 31.451 28.910 1.00 5.46 H new ATOM 0 HD2 TYR A 25 20.718 30.137 31.442 1.00 6.91 H new ATOM 0 HE1 TYR A 25 23.300 33.647 29.735 1.00 4.36 H new ATOM 0 HE2 TYR A 25 20.530 32.312 32.247 1.00 9.92 H new ATOM 0 HH TYR A 25 22.145 35.006 31.232 1.00 9.98 H new ATOM 189 N CYS A 26 22.339 27.862 32.391 1.00 3.61 N ATOM 190 CA CYS A 26 22.018 27.862 33.831 1.00 11.14 C ATOM 191 C CYS A 26 23.173 27.324 34.602 1.00 6.01 C ATOM 192 O CYS A 26 23.553 28.015 35.631 1.00 4.64 O ATOM 193 CB CYS A 26 20.712 27.093 34.139 1.00 6.42 C ATOM 194 SG CYS A 26 19.311 27.977 33.677 1.00 6.42 S ATOM 0 H CYS A 26 21.798 27.389 31.919 1.00 3.61 H new ATOM 0 HA CYS A 26 21.859 28.778 34.108 1.00 11.14 H new ATOM 0 HB2 CYS A 26 20.723 26.242 33.674 1.00 6.42 H new ATOM 0 HB3 CYS A 26 20.670 26.897 35.088 1.00 6.42 H new ATOM 195 N ASN A 27 23.738 26.171 34.242 1.00 5.41 N ATOM 196 CA ASN A 27 24.893 25.710 35.014 1.00 4.33 C ATOM 197 C ASN A 27 25.951 26.747 35.116 1.00 10.50 C ATOM 198 O ASN A 27 26.527 26.939 36.196 1.00 10.77 O ATOM 199 CB ASN A 27 25.417 24.403 34.294 1.00 5.89 C ATOM 200 CG ASN A 27 24.446 23.289 34.499 1.00 9.63 C ATOM 201 OD1 ASN A 27 23.572 23.289 35.373 1.00 9.20 O ATOM 202 ND2 ASN A 27 24.579 22.289 33.574 1.00 15.24 N ATOM 0 H ASN A 27 23.487 25.666 33.593 1.00 5.41 H new ATOM 0 HA ASN A 27 24.637 25.523 35.931 1.00 4.33 H new ATOM 0 HB2 ASN A 27 25.534 24.571 33.346 1.00 5.89 H new ATOM 0 HB3 ASN A 27 26.286 24.155 34.647 1.00 5.89 H new ATOM 0 HD21 ASN A 27 24.039 21.620 33.584 1.00 15.24 H new ATOM 0 HD22 ASN A 27 25.202 22.330 32.983 1.00 15.24 H new ATOM 203 N GLN A 28 26.374 27.401 34.037 1.00 5.43 N ATOM 204 CA GLN A 28 27.419 28.400 33.985 1.00 8.93 C ATOM 205 C GLN A 28 27.045 29.630 34.808 1.00 4.34 C ATOM 206 O GLN A 28 27.898 30.091 35.579 1.00 8.59 O ATOM 207 CB GLN A 28 27.846 28.784 32.597 1.00 12.97 C ATOM 208 CG GLN A 28 28.792 27.708 31.980 1.00 59.28 C ATOM 209 CD GLN A 28 28.478 27.324 30.540 1.00 60.53 C ATOM 210 OE1 GLN A 28 27.747 27.977 29.769 1.00 38.56 O ATOM 211 NE2 GLN A 28 29.089 26.209 30.129 1.00 60.02 N ATOM 0 H GLN A 28 26.028 27.257 33.263 1.00 5.43 H new ATOM 0 HA GLN A 28 28.197 27.978 34.382 1.00 8.93 H new ATOM 0 HB2 GLN A 28 27.064 28.892 32.034 1.00 12.97 H new ATOM 0 HB3 GLN A 28 28.299 29.641 32.621 1.00 12.97 H new ATOM 0 HG2 GLN A 28 29.704 28.037 32.021 1.00 59.28 H new ATOM 0 HG3 GLN A 28 28.753 26.909 32.529 1.00 59.28 H new ATOM 0 HE21 GLN A 28 29.590 25.769 30.671 1.00 60.02 H new ATOM 0 HE22 GLN A 28 28.981 25.932 29.322 1.00 60.02 H new ATOM 212 N MET A 29 25.867 30.168 34.602 1.00 5.54 N ATOM 213 CA MET A 29 25.435 31.436 35.219 1.00 6.27 C ATOM 214 C MET A 29 25.173 31.282 36.762 1.00 7.34 C ATOM 215 O MET A 29 25.572 32.166 37.533 1.00 9.19 O ATOM 216 CB MET A 29 24.218 31.974 34.551 1.00 7.85 C ATOM 217 CG MET A 29 24.463 32.473 33.163 1.00 9.19 C ATOM 218 SD MET A 29 25.585 33.857 33.060 1.00 16.66 S ATOM 219 CE MET A 29 24.589 35.048 33.934 1.00 20.63 C ATOM 0 H MET A 29 25.272 29.813 34.093 1.00 5.54 H new ATOM 0 HA MET A 29 26.164 32.065 35.099 1.00 6.27 H new ATOM 0 HB2 MET A 29 23.542 31.279 34.521 1.00 7.85 H new ATOM 0 HB3 MET A 29 23.858 32.698 35.087 1.00 7.85 H new ATOM 0 HG2 MET A 29 24.816 31.745 32.628 1.00 9.19 H new ATOM 0 HG3 MET A 29 23.614 32.729 32.769 1.00 9.19 H new ATOM 0 HE1 MET A 29 24.791 35.939 33.609 1.00 20.63 H new ATOM 0 HE2 MET A 29 23.650 34.855 33.786 1.00 20.63 H new ATOM 0 HE3 MET A 29 24.784 34.999 34.883 1.00 20.63 H new ATOM 220 N MET A 30 24.548 30.168 37.122 1.00 3.44 N ATOM 221 CA MET A 30 24.271 29.975 38.613 1.00 6.77 C ATOM 222 C MET A 30 25.624 29.975 39.332 1.00 11.99 C ATOM 223 O MET A 30 25.669 30.513 40.463 1.00 8.73 O ATOM 224 CB MET A 30 23.481 28.707 38.818 1.00 5.61 C ATOM 225 CG MET A 30 22.096 28.784 38.304 1.00 7.99 C ATOM 226 SD MET A 30 20.949 29.899 39.178 1.00 6.95 S ATOM 227 CE MET A 30 20.656 29.092 40.721 1.00 7.08 C ATOM 0 H MET A 30 24.282 29.541 36.597 1.00 3.44 H new ATOM 0 HA MET A 30 23.730 30.690 38.983 1.00 6.77 H new ATOM 0 HB2 MET A 30 23.941 27.974 38.380 1.00 5.61 H new ATOM 0 HB3 MET A 30 23.456 28.500 39.765 1.00 5.61 H new ATOM 0 HG2 MET A 30 22.134 29.059 37.375 1.00 7.99 H new ATOM 0 HG3 MET A 30 21.719 27.891 38.320 1.00 7.99 H new ATOM 0 HE1 MET A 30 20.697 29.742 41.439 1.00 7.08 H new ATOM 0 HE2 MET A 30 19.779 28.679 40.709 1.00 7.08 H new ATOM 0 HE3 MET A 30 21.332 28.411 40.864 1.00 7.08 H new ATOM 228 N LYS A 31 26.570 29.322 38.715 1.00 7.67 N ATOM 229 CA LYS A 31 27.910 29.245 39.281 1.00 6.17 C ATOM 230 C LYS A 31 28.590 30.590 39.332 1.00 10.30 C ATOM 231 O LYS A 31 29.107 31.128 40.309 1.00 10.21 O ATOM 232 CB LYS A 31 28.736 28.169 38.561 1.00 9.43 C ATOM 233 CG LYS A 31 30.230 28.208 38.921 1.00 21.87 C ATOM 234 CD LYS A 31 30.423 27.823 40.361 1.00 41.77 C ATOM 235 CE LYS A 31 31.839 27.823 40.875 1.00 71.47 C ATOM 236 NZ LYS A 31 31.865 27.708 42.366 1.00 56.33 N ATOM 0 H LYS A 31 26.469 28.912 37.966 1.00 7.67 H new ATOM 0 HA LYS A 31 27.832 28.970 40.208 1.00 6.17 H new ATOM 0 HB2 LYS A 31 28.379 27.294 38.782 1.00 9.43 H new ATOM 0 HB3 LYS A 31 28.638 28.282 37.603 1.00 9.43 H new ATOM 0 HG2 LYS A 31 30.724 27.602 38.347 1.00 21.87 H new ATOM 0 HG3 LYS A 31 30.584 29.098 38.766 1.00 21.87 H new ATOM 0 HD2 LYS A 31 29.901 28.430 40.910 1.00 41.77 H new ATOM 0 HD3 LYS A 31 30.054 26.935 40.490 1.00 41.77 H new ATOM 0 HE2 LYS A 31 32.330 27.085 40.481 1.00 71.47 H new ATOM 0 HE3 LYS A 31 32.286 28.639 40.602 1.00 71.47 H new ATOM 0 HZ1 LYS A 31 32.709 27.710 42.649 1.00 56.33 H new ATOM 0 HZ2 LYS A 31 31.430 28.397 42.725 1.00 56.33 H new ATOM 0 HZ3 LYS A 31 31.471 26.949 42.612 1.00 56.33 H new ATOM 237 N SER A 32 28.742 31.244 38.150 1.00 8.11 N ATOM 238 CA SER A 32 29.425 32.512 37.996 1.00 5.94 C ATOM 239 C SER A 32 28.809 33.665 38.818 1.00 2.21 C ATOM 240 O SER A 32 29.606 34.625 39.178 1.00 11.58 O ATOM 241 CB SER A 32 29.596 32.819 36.453 1.00 15.37 C ATOM 242 OG SER A 32 28.378 33.280 35.888 1.00 18.90 O ATOM 0 H SER A 32 28.434 30.935 37.409 1.00 8.11 H new ATOM 0 HA SER A 32 30.310 32.436 38.386 1.00 5.94 H new ATOM 0 HB2 SER A 32 30.288 33.487 36.327 1.00 15.37 H new ATOM 0 HB3 SER A 32 29.888 32.018 35.991 1.00 15.37 H new ATOM 0 HG SER A 32 28.490 33.438 35.071 1.00 18.90 H new ATOM 243 N ARG A 33 27.549 33.588 39.075 1.00 7.29 N ATOM 244 CA ARG A 33 26.888 34.664 39.847 1.00 9.16 C ATOM 245 C ARG A 33 26.838 34.395 41.389 1.00 8.20 C ATOM 246 O ARG A 33 26.147 35.087 42.160 1.00 8.19 O ATOM 247 CB ARG A 33 25.472 34.933 39.332 1.00 6.47 C ATOM 248 CG ARG A 33 25.461 35.509 37.893 1.00 3.83 C ATOM 249 CD ARG A 33 26.051 36.893 37.944 1.00 6.47 C ATOM 250 NE ARG A 33 25.977 37.508 36.607 1.00 10.30 N ATOM 251 CZ ARG A 33 24.893 38.161 36.196 1.00 12.40 C ATOM 252 NH1 ARG A 33 23.808 38.392 36.967 1.00 7.24 N ATOM 253 NH2 ARG A 33 24.880 38.545 34.859 1.00 9.95 N ATOM 0 H ARG A 33 27.035 32.943 38.830 1.00 7.29 H new ATOM 0 HA ARG A 33 27.442 35.448 39.710 1.00 9.16 H new ATOM 0 HB2 ARG A 33 24.963 34.108 39.350 1.00 6.47 H new ATOM 0 HB3 ARG A 33 25.027 35.555 39.929 1.00 6.47 H new ATOM 0 HG2 ARG A 33 25.975 34.943 37.297 1.00 3.83 H new ATOM 0 HG3 ARG A 33 24.556 35.538 37.546 1.00 3.83 H new ATOM 0 HD2 ARG A 33 25.570 37.437 38.588 1.00 6.47 H new ATOM 0 HD3 ARG A 33 26.974 36.851 38.241 1.00 6.47 H new ATOM 0 HE ARG A 33 26.652 37.443 36.078 1.00 10.30 H new ATOM 0 HH11 ARG A 33 23.790 38.110 37.779 1.00 7.24 H new ATOM 0 HH12 ARG A 33 23.135 38.821 36.646 1.00 7.24 H new ATOM 0 HH21 ARG A 33 25.548 38.357 34.351 1.00 9.95 H new ATOM 0 HH22 ARG A 33 24.204 38.970 34.540 1.00 9.95 H new ATOM 254 N ASN A 34 27.591 33.319 41.697 1.00 4.18 N ATOM 255 CA ASN A 34 27.739 32.896 43.086 1.00 8.70 C ATOM 256 C ASN A 34 26.474 32.473 43.754 1.00 11.14 C ATOM 257 O ASN A 34 26.412 32.550 45.039 1.00 12.44 O ATOM 258 CB ASN A 34 28.515 34.011 43.908 1.00 13.07 C ATOM 259 CG ASN A 34 29.989 34.011 43.446 1.00 37.43 C ATOM 260 OD1 ASN A 34 30.465 35.087 42.983 1.00 49.25 O ATOM 261 ND2 ASN A 34 30.668 32.896 43.600 1.00 41.15 N ATOM 0 H ASN A 34 28.012 32.836 41.123 1.00 4.18 H new ATOM 0 HA ASN A 34 28.268 32.083 43.070 1.00 8.70 H new ATOM 0 HB2 ASN A 34 28.114 34.882 43.760 1.00 13.07 H new ATOM 0 HB3 ASN A 34 28.458 33.831 44.859 1.00 13.07 H new ATOM 0 HD21 ASN A 34 31.499 32.864 43.379 1.00 41.15 H new ATOM 0 HD22 ASN A 34 30.282 32.198 43.922 1.00 41.15 H new ATOM 262 N LEU A 35 25.499 31.935 43.086 1.00 6.16 N ATOM 263 CA LEU A 35 24.250 31.436 43.703 1.00 9.88 C ATOM 264 C LEU A 35 24.334 30.052 44.217 1.00 15.83 C ATOM 265 O LEU A 35 23.356 29.668 44.937 1.00 18.95 O ATOM 266 CB LEU A 35 23.129 31.589 42.623 1.00 6.33 C ATOM 267 CG LEU A 35 23.151 33.050 42.057 1.00 11.59 C ATOM 268 CD1 LEU A 35 22.244 33.165 40.875 1.00 11.07 C ATOM 269 CD2 LEU A 35 22.834 34.011 43.188 1.00 12.35 C ATOM 0 H LEU A 35 25.520 31.835 42.232 1.00 6.16 H new ATOM 0 HA LEU A 35 24.058 31.959 44.497 1.00 9.88 H new ATOM 0 HB2 LEU A 35 23.267 30.951 41.906 1.00 6.33 H new ATOM 0 HB3 LEU A 35 22.262 31.395 43.012 1.00 6.33 H new ATOM 0 HG LEU A 35 24.031 33.285 41.723 1.00 11.59 H new ATOM 0 HD11 LEU A 35 22.268 34.073 40.536 1.00 11.07 H new ATOM 0 HD12 LEU A 35 22.537 32.553 40.181 1.00 11.07 H new ATOM 0 HD13 LEU A 35 21.338 32.943 41.140 1.00 11.07 H new ATOM 0 HD21 LEU A 35 22.844 34.921 42.852 1.00 12.35 H new ATOM 0 HD22 LEU A 35 21.956 33.809 43.548 1.00 12.35 H new ATOM 0 HD23 LEU A 35 23.499 33.918 43.888 1.00 12.35 H new ATOM 270 N THR A 36 25.382 29.322 43.960 1.00 6.96 N ATOM 271 CA THR A 36 25.542 27.900 44.422 1.00 8.92 C ATOM 272 C THR A 36 26.679 27.785 45.451 1.00 7.84 C ATOM 273 O THR A 36 27.160 26.670 45.656 1.00 14.97 O ATOM 274 CB THR A 36 25.785 26.978 43.240 1.00 12.48 C ATOM 275 OG1 THR A 36 27.018 27.324 42.674 1.00 11.14 O ATOM 276 CG2 THR A 36 24.694 27.016 42.160 1.00 14.10 C ATOM 0 H THR A 36 26.053 29.611 43.506 1.00 6.96 H new ATOM 0 HA THR A 36 24.718 27.626 44.855 1.00 8.92 H new ATOM 0 HB THR A 36 25.775 26.070 43.580 1.00 12.48 H new ATOM 0 HG1 THR A 36 27.175 26.825 42.017 1.00 11.14 H new ATOM 0 HG21 THR A 36 24.925 26.402 41.445 1.00 14.10 H new ATOM 0 HG22 THR A 36 23.845 26.755 42.549 1.00 14.10 H new ATOM 0 HG23 THR A 36 24.623 27.915 41.803 1.00 14.10 H new ATOM 277 N LYS A 37 27.050 28.938 46.016 1.00 13.68 N ATOM 278 CA LYS A 37 28.188 28.976 46.942 1.00 21.21 C ATOM 279 C LYS A 37 27.884 28.246 48.227 1.00 5.84 C ATOM 280 O LYS A 37 28.742 27.362 48.587 1.00 16.93 O ATOM 281 CB LYS A 37 28.609 30.437 47.147 1.00 21.93 C ATOM 282 CG LYS A 37 29.933 30.744 47.764 1.00 49.23 C ATOM 283 CD LYS A 37 29.909 32.127 48.433 1.00 39.37 C ATOM 284 CE LYS A 37 30.588 32.127 49.770 1.00 41.31 C ATOM 285 NZ LYS A 37 29.636 31.589 50.798 1.00 52.49 N ATOM 0 H LYS A 37 26.665 29.695 45.880 1.00 13.68 H new ATOM 0 HA LYS A 37 28.943 28.500 46.561 1.00 21.21 H new ATOM 0 HB2 LYS A 37 28.586 30.870 46.279 1.00 21.93 H new ATOM 0 HB3 LYS A 37 27.929 30.861 47.694 1.00 21.93 H new ATOM 0 HG2 LYS A 37 30.155 30.065 48.420 1.00 49.23 H new ATOM 0 HG3 LYS A 37 30.626 30.719 47.085 1.00 49.23 H new ATOM 0 HD2 LYS A 37 30.343 32.772 47.853 1.00 39.37 H new ATOM 0 HD3 LYS A 37 28.989 32.416 48.540 1.00 39.37 H new ATOM 0 HE2 LYS A 37 31.391 31.583 49.739 1.00 41.31 H new ATOM 0 HE3 LYS A 37 30.864 33.026 50.006 1.00 41.31 H new ATOM 0 HZ1 LYS A 37 30.045 31.545 51.587 1.00 52.49 H new ATOM 0 HZ2 LYS A 37 28.930 32.128 50.860 1.00 52.49 H new ATOM 0 HZ3 LYS A 37 29.367 30.775 50.557 1.00 52.49 H new ATOM 286 N ASP A 38 26.756 28.477 48.844 1.00 9.77 N ATOM 287 CA ASP A 38 26.451 27.823 50.129 1.00 8.63 C ATOM 288 C ASP A 38 25.621 26.555 49.975 1.00 10.39 C ATOM 289 O ASP A 38 25.624 25.633 50.849 1.00 10.49 O ATOM 290 CB ASP A 38 25.773 28.861 51.055 1.00 12.42 C ATOM 291 CG ASP A 38 26.721 29.975 51.518 1.00 36.59 C ATOM 292 OD1 ASP A 38 27.819 29.591 51.980 1.00 25.24 O ATOM 293 OD2 ASP A 38 26.357 31.128 51.518 1.00 42.90 O ATOM 0 H ASP A 38 26.142 29.004 48.553 1.00 9.77 H new ATOM 0 HA ASP A 38 27.281 27.521 50.530 1.00 8.63 H new ATOM 0 HB2 ASP A 38 25.021 29.258 50.588 1.00 12.42 H new ATOM 0 HB3 ASP A 38 25.415 28.406 51.833 1.00 12.42 H new ATOM 294 N ARG A 39 24.787 26.555 48.947 1.00 8.13 N ATOM 295 CA ARG A 39 23.897 25.402 48.690 1.00 4.79 C ATOM 296 C ARG A 39 23.401 25.594 47.250 1.00 8.59 C ATOM 297 O ARG A 39 23.636 26.670 46.685 1.00 6.97 O ATOM 298 CB ARG A 39 22.689 25.518 49.667 1.00 10.77 C ATOM 299 CG ARG A 39 21.994 26.901 49.564 1.00 16.50 C ATOM 300 CD ARG A 39 21.162 27.285 50.695 1.00 32.20 C ATOM 301 NE ARG A 39 19.727 27.093 50.438 1.00 53.79 N ATOM 302 CZ ARG A 39 18.932 28.015 49.872 1.00 46.58 C ATOM 303 NH1 ARG A 39 19.189 29.322 49.924 1.00 59.46 N ATOM 304 NH2 ARG A 39 17.805 27.593 49.307 1.00 52.00 N ATOM 0 H ARG A 39 24.712 27.201 48.384 1.00 8.13 H new ATOM 0 HA ARG A 39 24.332 24.544 48.810 1.00 4.79 H new ATOM 0 HB2 ARG A 39 22.047 24.818 49.471 1.00 10.77 H new ATOM 0 HB3 ARG A 39 22.994 25.377 50.577 1.00 10.77 H new ATOM 0 HG2 ARG A 39 22.678 27.578 49.444 1.00 16.50 H new ATOM 0 HG3 ARG A 39 21.445 26.908 48.765 1.00 16.50 H new ATOM 0 HD2 ARG A 39 21.420 26.765 51.472 1.00 32.20 H new ATOM 0 HD3 ARG A 39 21.326 28.216 50.910 1.00 32.20 H new ATOM 0 HE ARG A 39 19.374 26.342 50.665 1.00 53.79 H new ATOM 0 HH11 ARG A 39 19.890 29.606 50.333 1.00 59.46 H new ATOM 0 HH12 ARG A 39 18.654 29.881 49.548 1.00 59.46 H new ATOM 0 HH21 ARG A 39 17.608 26.756 49.313 1.00 52.00 H new ATOM 0 HH22 ARG A 39 17.273 28.157 48.935 1.00 52.00 H new ATOM 305 N CYS A 40 22.772 24.557 46.736 1.00 4.40 N ATOM 306 CA CYS A 40 22.170 24.672 45.348 1.00 5.33 C ATOM 307 C CYS A 40 20.835 25.402 45.554 1.00 6.34 C ATOM 308 O CYS A 40 19.874 24.903 46.119 1.00 8.50 O ATOM 309 CB CYS A 40 22.011 23.289 44.782 1.00 7.62 C ATOM 310 SG CYS A 40 23.420 22.251 44.628 1.00 9.74 S ATOM 0 H CYS A 40 22.667 23.797 47.125 1.00 4.40 H new ATOM 0 HA CYS A 40 22.716 25.163 44.714 1.00 5.33 H new ATOM 0 HB2 CYS A 40 21.364 22.822 45.334 1.00 7.62 H new ATOM 0 HB3 CYS A 40 21.618 23.379 43.900 1.00 7.62 H new ATOM 311 N LYS A 41 20.782 26.594 45.039 1.00 9.71 N ATOM 312 CA LYS A 41 19.510 27.401 45.039 1.00 6.04 C ATOM 313 C LYS A 41 18.614 26.632 44.114 1.00 11.61 C ATOM 314 O LYS A 41 19.113 26.325 42.983 1.00 13.34 O ATOM 315 CB LYS A 41 19.759 28.822 44.525 1.00 11.18 C ATOM 316 CG LYS A 41 18.532 29.745 44.577 1.00 27.79 C ATOM 317 CD LYS A 41 18.931 31.167 44.165 1.00 21.73 C ATOM 318 CE LYS A 41 17.723 32.051 43.960 1.00 48.07 C ATOM 319 NZ LYS A 41 18.139 33.396 43.394 1.00 46.07 N ATOM 0 H LYS A 41 21.453 26.989 44.674 1.00 9.71 H new ATOM 0 HA LYS A 41 19.129 27.513 45.924 1.00 6.04 H new ATOM 0 HB2 LYS A 41 20.472 29.222 45.047 1.00 11.18 H new ATOM 0 HB3 LYS A 41 20.072 28.771 43.608 1.00 11.18 H new ATOM 0 HG2 LYS A 41 17.840 29.410 43.985 1.00 27.79 H new ATOM 0 HG3 LYS A 41 18.160 29.752 45.473 1.00 27.79 H new ATOM 0 HD2 LYS A 41 19.502 31.553 44.847 1.00 21.73 H new ATOM 0 HD3 LYS A 41 19.450 31.133 43.346 1.00 21.73 H new ATOM 0 HE2 LYS A 41 17.098 31.619 43.357 1.00 48.07 H new ATOM 0 HE3 LYS A 41 17.261 32.178 44.804 1.00 48.07 H new ATOM 0 HZ1 LYS A 41 17.738 34.047 43.849 1.00 46.07 H new ATOM 0 HZ2 LYS A 41 19.022 33.487 43.463 1.00 46.07 H new ATOM 0 HZ3 LYS A 41 17.902 33.444 42.537 1.00 46.07 H new ATOM 320 N PRO A 42 17.459 26.209 44.525 1.00 7.49 N ATOM 321 CA PRO A 42 16.636 25.287 43.754 1.00 14.78 C ATOM 322 C PRO A 42 16.109 25.863 42.417 1.00 7.69 C ATOM 323 O PRO A 42 15.939 25.056 41.492 1.00 9.28 O ATOM 324 CB PRO A 42 15.459 24.864 44.628 1.00 17.44 C ATOM 325 CG PRO A 42 15.489 25.748 45.811 1.00 19.23 C ATOM 326 CD PRO A 42 16.836 26.440 45.862 1.00 10.83 C ATOM 0 HA PRO A 42 17.200 24.537 43.508 1.00 14.78 H new ATOM 0 HB2 PRO A 42 14.621 24.955 44.148 1.00 17.44 H new ATOM 0 HB3 PRO A 42 15.537 23.933 44.889 1.00 17.44 H new ATOM 0 HG2 PRO A 42 14.775 26.403 45.760 1.00 19.23 H new ATOM 0 HG3 PRO A 42 15.344 25.233 46.620 1.00 19.23 H new ATOM 0 HD2 PRO A 42 16.734 27.388 46.040 1.00 10.83 H new ATOM 0 HD3 PRO A 42 17.388 26.076 46.571 1.00 10.83 H new ATOM 327 N VAL A 43 15.790 27.132 42.469 1.00 8.59 N ATOM 328 CA VAL A 43 15.185 27.785 41.286 1.00 9.32 C ATOM 329 C VAL A 43 15.731 29.207 41.183 1.00 7.05 C ATOM 330 O VAL A 43 15.990 29.822 42.212 1.00 10.82 O ATOM 331 CB VAL A 43 13.670 27.746 41.389 1.00 12.60 C ATOM 332 CG1 VAL A 43 13.033 26.363 41.492 1.00 21.48 C ATOM 333 CG2 VAL A 43 13.141 28.592 42.520 1.00 18.25 C ATOM 0 H VAL A 43 15.904 27.641 43.153 1.00 8.59 H new ATOM 0 HA VAL A 43 15.420 27.312 40.472 1.00 9.32 H new ATOM 0 HB VAL A 43 13.407 28.112 40.530 1.00 12.60 H new ATOM 0 HG11 VAL A 43 12.069 26.454 41.552 1.00 21.48 H new ATOM 0 HG12 VAL A 43 13.259 25.843 40.705 1.00 21.48 H new ATOM 0 HG13 VAL A 43 13.365 25.912 42.284 1.00 21.48 H new ATOM 0 HG21 VAL A 43 12.173 28.533 42.543 1.00 18.25 H new ATOM 0 HG22 VAL A 43 13.504 28.272 43.361 1.00 18.25 H new ATOM 0 HG23 VAL A 43 13.405 29.515 42.385 1.00 18.25 H new ATOM 334 N ASN A 44 15.853 29.706 40.001 1.00 6.12 N ATOM 335 CA ASN A 44 16.310 31.090 39.795 1.00 6.77 C ATOM 336 C ASN A 44 15.828 31.551 38.407 1.00 7.53 C ATOM 337 O ASN A 44 15.780 30.667 37.481 1.00 8.79 O ATOM 338 CB ASN A 44 17.882 31.205 39.898 1.00 5.64 C ATOM 339 CG ASN A 44 18.199 32.704 39.949 1.00 11.08 C ATOM 340 OD1 ASN A 44 17.508 33.396 40.721 1.00 11.17 O ATOM 341 ND2 ASN A 44 19.058 33.242 39.127 1.00 6.53 N ATOM 0 H ASN A 44 15.681 29.276 39.277 1.00 6.12 H new ATOM 0 HA ASN A 44 15.939 31.657 40.489 1.00 6.77 H new ATOM 0 HB2 ASN A 44 18.211 30.754 40.691 1.00 5.64 H new ATOM 0 HB3 ASN A 44 18.311 30.786 39.135 1.00 5.64 H new ATOM 0 HD21 ASN A 44 19.159 34.096 39.108 1.00 6.53 H new ATOM 0 HD22 ASN A 44 19.523 32.743 38.604 1.00 6.53 H new ATOM 342 N THR A 45 15.513 32.781 38.253 1.00 4.11 N ATOM 343 CA THR A 45 15.152 33.357 36.864 1.00 3.85 C ATOM 344 C THR A 45 16.125 34.472 36.556 1.00 10.94 C ATOM 345 O THR A 45 16.447 35.317 37.379 1.00 4.73 O ATOM 346 CB THR A 45 13.698 33.934 36.967 1.00 10.74 C ATOM 347 OG1 THR A 45 12.845 32.935 37.379 1.00 9.40 O ATOM 348 CG2 THR A 45 13.217 34.510 35.579 1.00 11.53 C ATOM 0 H THR A 45 15.482 33.353 38.894 1.00 4.11 H new ATOM 0 HA THR A 45 15.198 32.684 36.167 1.00 3.85 H new ATOM 0 HB THR A 45 13.695 34.660 37.611 1.00 10.74 H new ATOM 0 HG1 THR A 45 12.638 32.454 36.722 1.00 9.40 H new ATOM 0 HG21 THR A 45 12.317 34.860 35.668 1.00 11.53 H new ATOM 0 HG22 THR A 45 13.814 35.221 35.299 1.00 11.53 H new ATOM 0 HG23 THR A 45 13.224 33.803 34.915 1.00 11.53 H new ATOM 349 N PHE A 46 16.611 34.510 35.271 1.00 3.83 N ATOM 350 CA PHE A 46 17.496 35.509 34.756 1.00 2.35 C ATOM 351 C PHE A 46 16.661 36.393 33.728 1.00 5.52 C ATOM 352 O PHE A 46 15.900 35.778 32.957 1.00 6.74 O ATOM 353 CB PHE A 46 18.776 35.048 34.037 1.00 3.22 C ATOM 354 CG PHE A 46 19.747 34.433 35.014 1.00 1.98 C ATOM 355 CD1 PHE A 46 20.571 35.356 35.682 1.00 9.02 C ATOM 356 CD2 PHE A 46 19.789 33.088 35.271 1.00 2.78 C ATOM 357 CE1 PHE A 46 21.528 34.856 36.607 1.00 9.68 C ATOM 358 CE2 PHE A 46 20.716 32.550 36.196 1.00 8.17 C ATOM 359 CZ PHE A 46 21.570 33.434 36.864 1.00 11.50 C ATOM 0 H PHE A 46 16.403 33.916 34.685 1.00 3.83 H new ATOM 0 HA PHE A 46 17.822 35.972 35.544 1.00 2.35 H new ATOM 0 HB2 PHE A 46 18.551 34.403 33.349 1.00 3.22 H new ATOM 0 HB3 PHE A 46 19.192 35.803 33.593 1.00 3.22 H new ATOM 0 HD1 PHE A 46 20.492 36.269 35.523 1.00 9.02 H new ATOM 0 HD2 PHE A 46 19.199 32.519 34.831 1.00 2.78 H new ATOM 0 HE1 PHE A 46 22.116 35.433 37.039 1.00 9.68 H new ATOM 0 HE2 PHE A 46 20.756 31.635 36.355 1.00 8.17 H new ATOM 0 HZ PHE A 46 22.176 33.101 37.485 1.00 11.50 H new ATOM 360 N VAL A 47 16.964 37.623 33.728 1.00 2.79 N ATOM 361 CA VAL A 47 16.219 38.584 32.803 1.00 2.97 C ATOM 362 C VAL A 47 17.230 39.160 31.877 1.00 5.72 C ATOM 363 O VAL A 47 18.225 39.737 32.186 1.00 6.15 O ATOM 364 CB VAL A 47 15.466 39.621 33.677 1.00 9.28 C ATOM 365 CG1 VAL A 47 14.647 40.544 32.700 1.00 4.76 C ATOM 366 CG2 VAL A 47 14.590 39.045 34.756 1.00 6.01 C ATOM 0 H VAL A 47 17.573 37.981 34.219 1.00 2.79 H new ATOM 0 HA VAL A 47 15.539 38.158 32.258 1.00 2.97 H new ATOM 0 HB VAL A 47 16.129 40.121 34.179 1.00 9.28 H new ATOM 0 HG11 VAL A 47 14.161 41.208 33.213 1.00 4.76 H new ATOM 0 HG12 VAL A 47 15.255 40.989 32.089 1.00 4.76 H new ATOM 0 HG13 VAL A 47 14.020 40.004 32.194 1.00 4.76 H new ATOM 0 HG21 VAL A 47 14.164 39.765 35.246 1.00 6.01 H new ATOM 0 HG22 VAL A 47 13.910 38.481 34.355 1.00 6.01 H new ATOM 0 HG23 VAL A 47 15.130 38.516 35.364 1.00 6.01 H new ATOM 367 N HIS A 48 16.915 38.968 30.540 1.00 6.55 N ATOM 368 CA HIS A 48 17.747 39.391 29.409 1.00 3.99 C ATOM 369 C HIS A 48 17.301 40.697 28.792 1.00 13.45 C ATOM 370 O HIS A 48 16.847 40.736 27.610 1.00 10.83 O ATOM 371 CB HIS A 48 17.625 38.276 28.330 1.00 2.86 C ATOM 372 CG HIS A 48 18.117 36.970 28.895 1.00 5.51 C ATOM 373 ND1 HIS A 48 19.492 36.854 29.049 1.00 8.60 N ATOM 374 CD2 HIS A 48 17.493 35.817 29.152 1.00 11.72 C ATOM 375 CE1 HIS A 48 19.638 35.586 29.461 1.00 13.30 C ATOM 376 NE2 HIS A 48 18.487 34.933 29.564 1.00 6.92 N ATOM 0 H HIS A 48 16.190 38.577 30.292 1.00 6.55 H new ATOM 0 HA HIS A 48 18.653 39.527 29.727 1.00 3.99 H new ATOM 0 HB2 HIS A 48 16.702 38.188 28.045 1.00 2.86 H new ATOM 0 HB3 HIS A 48 18.143 38.515 27.545 1.00 2.86 H new ATOM 0 HD1 HIS A 48 20.099 37.448 28.914 1.00 8.60 H new ATOM 0 HD2 HIS A 48 16.583 35.641 29.072 1.00 11.72 H new ATOM 0 HE1 HIS A 48 20.463 35.203 29.655 1.00 13.30 H new ATOM 377 N GLU A 49 17.321 41.735 29.615 1.00 9.36 N ATOM 378 CA GLU A 49 16.902 43.080 29.204 1.00 6.53 C ATOM 379 C GLU A 49 17.802 44.118 29.821 1.00 4.04 C ATOM 380 O GLU A 49 18.577 43.772 30.746 1.00 11.16 O ATOM 381 CB GLU A 49 15.457 43.272 29.769 1.00 9.67 C ATOM 382 CG GLU A 49 14.388 42.311 29.306 1.00 7.13 C ATOM 383 CD GLU A 49 13.953 42.350 27.867 1.00 11.37 C ATOM 384 OE1 GLU A 49 14.356 43.426 27.147 1.00 16.34 O ATOM 385 OE2 GLU A 49 13.340 41.466 27.301 1.00 7.65 O ATOM 0 H GLU A 49 17.579 41.685 30.434 1.00 9.36 H new ATOM 0 HA GLU A 49 16.940 43.176 28.239 1.00 6.53 H new ATOM 0 HB2 GLU A 49 15.506 43.221 30.736 1.00 9.67 H new ATOM 0 HB3 GLU A 49 15.167 44.171 29.547 1.00 9.67 H new ATOM 0 HG2 GLU A 49 14.700 41.412 29.494 1.00 7.13 H new ATOM 0 HG3 GLU A 49 13.602 42.459 29.855 1.00 7.13 H new ATOM 386 N SER A 50 17.702 45.386 29.358 1.00 5.62 N ATOM 387 CA SER A 50 18.526 46.423 30.026 1.00 6.77 C ATOM 388 C SER A 50 18.007 46.616 31.517 1.00 5.60 C ATOM 389 O SER A 50 16.823 46.462 31.826 1.00 7.41 O ATOM 390 CB SER A 50 18.445 47.768 29.306 1.00 8.47 C ATOM 391 OG SER A 50 17.142 48.268 29.409 1.00 12.97 O ATOM 0 H SER A 50 17.204 45.652 28.709 1.00 5.62 H new ATOM 0 HA SER A 50 19.449 46.124 30.010 1.00 6.77 H new ATOM 0 HB2 SER A 50 19.075 48.394 29.696 1.00 8.47 H new ATOM 0 HB3 SER A 50 18.690 47.663 28.373 1.00 8.47 H new ATOM 0 HG SER A 50 17.094 49.009 29.015 1.00 12.97 H new ATOM 392 N LEU A 51 18.995 47.000 32.340 1.00 5.84 N ATOM 393 CA LEU A 51 18.674 47.269 33.780 1.00 7.83 C ATOM 394 C LEU A 51 17.643 48.345 33.882 1.00 8.97 C ATOM 395 O LEU A 51 16.680 48.307 34.654 1.00 10.99 O ATOM 396 CB LEU A 51 19.951 47.576 34.448 1.00 11.95 C ATOM 397 CG LEU A 51 20.235 47.154 35.888 1.00 40.02 C ATOM 398 CD1 LEU A 51 21.000 48.307 36.453 1.00 13.43 C ATOM 399 CD2 LEU A 51 19.030 46.692 36.659 1.00 12.40 C ATOM 0 H LEU A 51 19.817 47.110 32.114 1.00 5.84 H new ATOM 0 HA LEU A 51 18.276 46.506 34.227 1.00 7.83 H new ATOM 0 HB2 LEU A 51 20.653 47.190 33.900 1.00 11.95 H new ATOM 0 HB3 LEU A 51 20.060 48.539 34.412 1.00 11.95 H new ATOM 0 HG LEU A 51 20.758 46.339 35.945 1.00 40.02 H new ATOM 0 HD11 LEU A 51 21.226 48.123 37.378 1.00 13.43 H new ATOM 0 HD12 LEU A 51 21.814 48.437 35.942 1.00 13.43 H new ATOM 0 HD13 LEU A 51 20.457 49.110 36.406 1.00 13.43 H new ATOM 0 HD21 LEU A 51 19.296 46.444 37.558 1.00 12.40 H new ATOM 0 HD22 LEU A 51 18.378 47.409 36.702 1.00 12.40 H new ATOM 0 HD23 LEU A 51 18.637 45.924 36.215 1.00 12.40 H new ATOM 400 N ALA A 52 17.775 49.421 33.060 1.00 9.24 N ATOM 401 CA ALA A 52 16.776 50.497 33.060 1.00 14.02 C ATOM 402 C ALA A 52 15.372 50.036 32.803 1.00 5.08 C ATOM 403 O ALA A 52 14.349 50.535 33.471 1.00 9.83 O ATOM 404 CB ALA A 52 17.259 51.535 31.980 1.00 7.08 C ATOM 0 H ALA A 52 18.426 49.534 32.510 1.00 9.24 H new ATOM 0 HA ALA A 52 16.723 50.890 33.945 1.00 14.02 H new ATOM 0 HB1 ALA A 52 16.631 52.273 31.937 1.00 7.08 H new ATOM 0 HB2 ALA A 52 18.136 51.871 32.223 1.00 7.08 H new ATOM 0 HB3 ALA A 52 17.308 51.102 31.114 1.00 7.08 H new ATOM 405 N ASP A 53 15.156 49.075 31.929 1.00 3.15 N ATOM 406 CA ASP A 53 13.813 48.576 31.672 1.00 8.07 C ATOM 407 C ASP A 53 13.253 47.730 32.803 1.00 5.35 C ATOM 408 O ASP A 53 12.009 47.768 33.008 1.00 9.78 O ATOM 409 CB ASP A 53 13.739 47.768 30.335 1.00 10.46 C ATOM 410 CG ASP A 53 13.907 48.576 29.101 1.00 22.96 C ATOM 411 OD1 ASP A 53 14.013 49.805 29.049 1.00 16.29 O ATOM 412 OD2 ASP A 53 13.981 47.884 28.073 1.00 16.07 O ATOM 0 H ASP A 53 15.774 48.693 31.469 1.00 3.15 H new ATOM 0 HA ASP A 53 13.262 49.371 31.600 1.00 8.07 H new ATOM 0 HB2 ASP A 53 14.423 47.081 30.350 1.00 10.46 H new ATOM 0 HB3 ASP A 53 12.882 47.315 30.294 1.00 10.46 H new ATOM 413 N VAL A 54 14.152 47.077 33.522 1.00 5.00 N ATOM 414 CA VAL A 54 13.653 46.270 34.654 1.00 4.63 C ATOM 415 C VAL A 54 13.350 47.269 35.836 1.00 6.99 C ATOM 416 O VAL A 54 12.371 47.038 36.556 1.00 6.42 O ATOM 417 CB VAL A 54 14.601 45.155 35.014 1.00 7.06 C ATOM 418 CG1 VAL A 54 14.115 44.425 36.299 1.00 3.50 C ATOM 419 CG2 VAL A 54 14.632 44.118 33.831 1.00 10.09 C ATOM 0 H VAL A 54 15.002 47.076 33.395 1.00 5.00 H new ATOM 0 HA VAL A 54 12.835 45.805 34.419 1.00 4.63 H new ATOM 0 HB VAL A 54 15.483 45.527 35.172 1.00 7.06 H new ATOM 0 HG11 VAL A 54 14.733 43.711 36.519 1.00 3.50 H new ATOM 0 HG12 VAL A 54 14.076 45.056 37.035 1.00 3.50 H new ATOM 0 HG13 VAL A 54 13.233 44.052 36.146 1.00 3.50 H new ATOM 0 HG21 VAL A 54 15.239 43.394 34.051 1.00 10.09 H new ATOM 0 HG22 VAL A 54 13.741 43.761 33.690 1.00 10.09 H new ATOM 0 HG23 VAL A 54 14.934 44.559 33.022 1.00 10.09 H new ATOM 420 N GLN A 55 14.255 48.191 36.042 1.00 5.67 N ATOM 421 CA GLN A 55 13.953 49.229 37.122 1.00 7.99 C ATOM 422 C GLN A 55 12.624 49.921 36.916 1.00 7.23 C ATOM 423 O GLN A 55 11.886 50.228 37.841 1.00 8.33 O ATOM 424 CB GLN A 55 15.072 50.228 37.224 1.00 6.45 C ATOM 425 CG GLN A 55 16.367 49.652 37.739 1.00 5.53 C ATOM 426 CD GLN A 55 17.536 50.612 37.481 1.00 11.51 C ATOM 427 OE1 GLN A 55 17.562 51.419 36.607 1.00 17.35 O ATOM 428 NE2 GLN A 55 18.538 50.420 38.355 1.00 11.40 N ATOM 0 H GLN A 55 15.005 48.271 35.629 1.00 5.67 H new ATOM 0 HA GLN A 55 13.885 48.749 37.962 1.00 7.99 H new ATOM 0 HB2 GLN A 55 15.227 50.616 36.349 1.00 6.45 H new ATOM 0 HB3 GLN A 55 14.795 50.950 37.809 1.00 6.45 H new ATOM 0 HG2 GLN A 55 16.292 49.477 38.690 1.00 5.53 H new ATOM 0 HG3 GLN A 55 16.541 48.801 37.307 1.00 5.53 H new ATOM 0 HE21 GLN A 55 18.465 49.821 38.968 1.00 11.40 H new ATOM 0 HE22 GLN A 55 19.252 50.896 38.301 1.00 11.40 H new ATOM 429 N ALA A 56 12.293 50.228 35.631 1.00 5.51 N ATOM 430 CA ALA A 56 11.025 50.920 35.322 1.00 11.71 C ATOM 431 C ALA A 56 9.793 50.113 35.785 1.00 14.06 C ATOM 432 O ALA A 56 8.702 50.728 35.888 1.00 9.68 O ATOM 433 CB ALA A 56 11.014 51.304 33.882 1.00 9.33 C ATOM 0 H ALA A 56 12.781 50.046 34.947 1.00 5.51 H new ATOM 0 HA ALA A 56 10.966 51.742 35.834 1.00 11.71 H new ATOM 0 HB1 ALA A 56 10.183 51.759 33.675 1.00 9.33 H new ATOM 0 HB2 ALA A 56 11.760 51.896 33.699 1.00 9.33 H new ATOM 0 HB3 ALA A 56 11.092 50.507 33.334 1.00 9.33 H new ATOM 434 N VAL A 57 9.896 48.806 36.042 1.00 6.13 N ATOM 435 CA VAL A 57 8.740 48.037 36.453 1.00 5.90 C ATOM 436 C VAL A 57 8.118 48.576 37.790 1.00 3.33 C ATOM 437 O VAL A 57 6.874 48.460 37.996 1.00 10.69 O ATOM 438 CB VAL A 57 8.983 46.500 36.453 1.00 3.69 C ATOM 439 CG1 VAL A 57 7.813 45.616 36.813 1.00 8.87 C ATOM 440 CG2 VAL A 57 9.455 46.078 35.014 1.00 6.21 C ATOM 0 H VAL A 57 10.626 48.356 35.982 1.00 6.13 H new ATOM 0 HA VAL A 57 8.067 48.174 35.768 1.00 5.90 H new ATOM 0 HB VAL A 57 9.637 46.361 37.155 1.00 3.69 H new ATOM 0 HG11 VAL A 57 8.087 44.686 36.778 1.00 8.87 H new ATOM 0 HG12 VAL A 57 7.509 45.830 37.709 1.00 8.87 H new ATOM 0 HG13 VAL A 57 7.090 45.763 36.183 1.00 8.87 H new ATOM 0 HG21 VAL A 57 9.612 45.121 34.992 1.00 6.21 H new ATOM 0 HG22 VAL A 57 8.769 46.307 34.368 1.00 6.21 H new ATOM 0 HG23 VAL A 57 10.276 46.545 34.792 1.00 6.21 H new ATOM 441 N CYS A 58 9.031 49.152 38.561 1.00 7.02 N ATOM 442 CA CYS A 58 8.529 49.728 39.898 1.00 8.89 C ATOM 443 C CYS A 58 7.531 50.843 39.795 1.00 10.58 C ATOM 444 O CYS A 58 6.943 51.266 40.823 1.00 11.08 O ATOM 445 CB CYS A 58 9.713 50.113 40.772 1.00 6.86 C ATOM 446 SG CYS A 58 10.797 48.768 41.183 1.00 7.87 S ATOM 0 H CYS A 58 9.870 49.236 38.390 1.00 7.02 H new ATOM 0 HA CYS A 58 8.024 49.012 40.315 1.00 8.89 H new ATOM 0 HB2 CYS A 58 10.226 50.799 40.317 1.00 6.86 H new ATOM 0 HB3 CYS A 58 9.379 50.506 41.593 1.00 6.86 H new ATOM 447 N SER A 59 7.336 51.342 38.561 1.00 10.34 N ATOM 448 CA SER A 59 6.355 52.419 38.304 1.00 11.42 C ATOM 449 C SER A 59 5.262 51.880 37.430 1.00 13.53 C ATOM 450 O SER A 59 4.481 52.726 36.916 1.00 16.77 O ATOM 451 CB SER A 59 7.029 53.648 37.687 1.00 15.34 C ATOM 452 OG SER A 59 7.395 53.456 36.299 1.00 24.85 O ATOM 0 H SER A 59 7.759 51.073 37.862 1.00 10.34 H new ATOM 0 HA SER A 59 5.968 52.714 39.143 1.00 11.42 H new ATOM 0 HB2 SER A 59 6.430 54.408 37.756 1.00 15.34 H new ATOM 0 HB3 SER A 59 7.824 53.866 38.199 1.00 15.34 H new ATOM 0 HG SER A 59 7.754 52.702 36.205 1.00 24.85 H new ATOM 453 N GLN A 60 5.188 50.535 37.276 1.00 11.85 N ATOM 454 CA GLN A 60 4.109 49.921 36.453 1.00 12.56 C ATOM 455 C GLN A 60 2.964 49.383 37.224 1.00 13.44 C ATOM 456 O GLN A 60 2.512 50.113 38.201 1.00 12.61 O ATOM 457 CB GLN A 60 4.758 48.998 35.425 1.00 5.92 C ATOM 458 CG GLN A 60 5.664 49.767 34.448 1.00 13.82 C ATOM 459 CD GLN A 60 6.554 48.883 33.522 1.00 8.33 C ATOM 460 OE1 GLN A 60 6.375 47.730 33.317 1.00 12.19 O ATOM 461 NE2 GLN A 60 7.620 49.536 33.008 1.00 16.12 N ATOM 0 H GLN A 60 5.736 49.974 37.629 1.00 11.85 H new ATOM 0 HA GLN A 60 3.641 50.611 35.957 1.00 12.56 H new ATOM 0 HB2 GLN A 60 5.280 48.321 35.884 1.00 5.92 H new ATOM 0 HB3 GLN A 60 4.067 48.534 34.927 1.00 5.92 H new ATOM 0 HG2 GLN A 60 5.106 50.332 33.891 1.00 13.82 H new ATOM 0 HG3 GLN A 60 6.241 50.354 34.961 1.00 13.82 H new ATOM 0 HE21 GLN A 60 7.730 50.373 33.170 1.00 16.12 H new ATOM 0 HE22 GLN A 60 8.188 49.114 32.519 1.00 16.12 H new ATOM 462 N LYS A 61 2.363 48.307 36.916 1.00 9.54 N ATOM 463 CA LYS A 61 1.188 47.768 37.584 1.00 12.14 C ATOM 464 C LYS A 61 1.381 47.230 39.024 1.00 9.10 C ATOM 465 O LYS A 61 2.016 46.154 39.127 1.00 13.38 O ATOM 466 CB LYS A 61 0.473 46.654 36.762 1.00 19.74 C ATOM 467 CG LYS A 61 -0.928 46.347 37.379 1.00 27.04 C ATOM 468 CD LYS A 61 -1.763 45.463 36.453 1.00 40.68 C ATOM 469 CE LYS A 61 -3.118 45.155 37.019 1.00 42.57 C ATOM 470 NZ LYS A 61 -3.702 46.347 37.739 1.00 32.56 N ATOM 0 H LYS A 61 2.627 47.811 36.265 1.00 9.54 H new ATOM 0 HA LYS A 61 0.642 48.567 37.650 1.00 12.14 H new ATOM 0 HB2 LYS A 61 0.373 46.937 35.839 1.00 19.74 H new ATOM 0 HB3 LYS A 61 1.015 45.849 36.755 1.00 19.74 H new ATOM 0 HG2 LYS A 61 -0.816 45.906 38.236 1.00 27.04 H new ATOM 0 HG3 LYS A 61 -1.399 47.178 37.547 1.00 27.04 H new ATOM 0 HD2 LYS A 61 -1.867 45.905 35.596 1.00 40.68 H new ATOM 0 HD3 LYS A 61 -1.288 44.633 36.288 1.00 40.68 H new ATOM 0 HE2 LYS A 61 -3.714 44.884 36.304 1.00 42.57 H new ATOM 0 HE3 LYS A 61 -3.051 44.406 37.632 1.00 42.57 H new ATOM 0 HZ1 LYS A 61 -4.582 46.243 37.820 1.00 32.56 H new ATOM 0 HZ2 LYS A 61 -3.336 46.415 38.547 1.00 32.56 H new ATOM 0 HZ3 LYS A 61 -3.533 47.087 37.274 1.00 32.56 H new ATOM 471 N ASN A 62 0.825 47.922 39.949 1.00 12.62 N ATOM 472 CA ASN A 62 0.927 47.499 41.389 1.00 14.26 C ATOM 473 C ASN A 62 0.046 46.270 41.595 1.00 20.29 C ATOM 474 O ASN A 62 -1.129 46.347 41.183 1.00 14.98 O ATOM 475 CB ASN A 62 0.582 48.652 42.314 1.00 13.67 C ATOM 476 CG ASN A 62 0.608 48.345 43.805 1.00 22.50 C ATOM 477 OD1 ASN A 62 -0.370 48.691 44.525 1.00 32.10 O ATOM 478 ND2 ASN A 62 1.675 47.730 44.371 1.00 13.20 N ATOM 0 H ASN A 62 0.376 48.643 39.814 1.00 12.62 H new ATOM 0 HA ASN A 62 1.839 47.253 41.611 1.00 14.26 H new ATOM 0 HB2 ASN A 62 1.201 49.378 42.141 1.00 13.67 H new ATOM 0 HB3 ASN A 62 -0.304 48.974 42.084 1.00 13.67 H new ATOM 0 HD21 ASN A 62 1.684 47.577 45.217 1.00 13.20 H new ATOM 0 HD22 ASN A 62 2.343 47.493 43.884 1.00 13.20 H new ATOM 479 N VAL A 63 0.599 45.232 42.160 1.00 12.05 N ATOM 480 CA VAL A 63 -0.146 43.964 42.417 1.00 17.36 C ATOM 481 C VAL A 63 0.290 43.349 43.754 1.00 10.10 C ATOM 482 O VAL A 63 1.343 43.772 44.268 1.00 11.35 O ATOM 483 CB VAL A 63 0.036 42.926 41.235 1.00 12.04 C ATOM 484 CG1 VAL A 63 -0.598 43.464 39.949 1.00 15.13 C ATOM 485 CG2 VAL A 63 1.445 42.427 41.080 1.00 13.52 C ATOM 0 H VAL A 63 1.419 45.213 42.417 1.00 12.05 H new ATOM 0 HA VAL A 63 -1.090 44.181 42.467 1.00 17.36 H new ATOM 0 HB VAL A 63 -0.452 42.121 41.469 1.00 12.04 H new ATOM 0 HG11 VAL A 63 -0.479 42.819 39.235 1.00 15.13 H new ATOM 0 HG12 VAL A 63 -1.545 43.615 40.093 1.00 15.13 H new ATOM 0 HG13 VAL A 63 -0.172 44.300 39.703 1.00 15.13 H new ATOM 0 HG21 VAL A 63 1.487 41.798 40.343 1.00 13.52 H new ATOM 0 HG22 VAL A 63 2.036 43.175 40.900 1.00 13.52 H new ATOM 0 HG23 VAL A 63 1.724 41.985 41.897 1.00 13.52 H new ATOM 486 N ALA A 64 -0.503 42.427 44.268 1.00 9.40 N ATOM 487 CA ALA A 64 -0.051 41.850 45.554 1.00 12.55 C ATOM 488 C ALA A 64 0.984 40.774 45.142 1.00 11.86 C ATOM 489 O ALA A 64 0.892 40.121 44.063 1.00 10.25 O ATOM 490 CB ALA A 64 -1.196 41.235 46.325 1.00 11.04 C ATOM 0 H ALA A 64 -1.241 42.133 43.939 1.00 9.40 H new ATOM 0 HA ALA A 64 0.322 42.523 46.144 1.00 12.55 H new ATOM 0 HB1 ALA A 64 -0.864 40.868 47.159 1.00 11.04 H new ATOM 0 HB2 ALA A 64 -1.862 41.915 46.513 1.00 11.04 H new ATOM 0 HB3 ALA A 64 -1.598 40.527 45.798 1.00 11.04 H new ATOM 491 N CYS A 65 1.942 40.621 45.965 1.00 7.03 N ATOM 492 CA CYS A 65 3.018 39.621 45.811 1.00 5.69 C ATOM 493 C CYS A 65 2.301 38.276 46.273 1.00 7.66 C ATOM 494 O CYS A 65 1.204 38.276 46.788 1.00 8.96 O ATOM 495 CB CYS A 65 4.217 39.852 46.736 1.00 5.22 C ATOM 496 SG CYS A 65 4.792 41.543 46.736 1.00 11.25 S ATOM 0 H CYS A 65 2.024 41.099 46.675 1.00 7.03 H new ATOM 0 HA CYS A 65 3.376 39.636 44.909 1.00 5.69 H new ATOM 0 HB2 CYS A 65 3.973 39.600 47.640 1.00 5.22 H new ATOM 0 HB3 CYS A 65 4.944 39.270 46.465 1.00 5.22 H new ATOM 497 N LYS A 66 3.002 37.200 45.862 1.00 7.91 N ATOM 498 CA LYS A 66 2.453 35.855 46.171 1.00 10.97 C ATOM 499 C LYS A 66 2.191 35.701 47.713 1.00 9.73 C ATOM 500 O LYS A 66 1.249 35.010 48.021 1.00 15.88 O ATOM 501 CB LYS A 66 3.383 34.779 45.708 1.00 11.95 C ATOM 502 CG LYS A 66 3.312 34.587 44.165 1.00 23.53 C ATOM 503 CD LYS A 66 4.453 33.703 43.703 1.00 37.33 C ATOM 504 CE LYS A 66 4.075 32.819 42.572 1.00 50.63 C ATOM 505 NZ LYS A 66 5.399 32.204 42.006 1.00 47.22 N ATOM 0 H LYS A 66 3.747 37.217 45.432 1.00 7.91 H new ATOM 0 HA LYS A 66 1.611 35.765 45.698 1.00 10.97 H new ATOM 0 HB2 LYS A 66 4.291 35.002 45.966 1.00 11.95 H new ATOM 0 HB3 LYS A 66 3.159 33.945 46.149 1.00 11.95 H new ATOM 0 HG2 LYS A 66 2.463 34.188 43.919 1.00 23.53 H new ATOM 0 HG3 LYS A 66 3.359 35.448 43.721 1.00 23.53 H new ATOM 0 HD2 LYS A 66 5.201 34.260 43.436 1.00 37.33 H new ATOM 0 HD3 LYS A 66 4.756 33.158 44.446 1.00 37.33 H new ATOM 0 HE2 LYS A 66 3.472 32.120 42.870 1.00 50.63 H new ATOM 0 HE3 LYS A 66 3.609 33.321 41.885 1.00 50.63 H new ATOM 0 HZ1 LYS A 66 5.208 31.666 41.323 1.00 47.22 H new ATOM 0 HZ2 LYS A 66 5.935 32.858 41.728 1.00 47.22 H new ATOM 0 HZ3 LYS A 66 5.807 31.738 42.645 1.00 47.22 H new ATOM 506 N ASN A 67 3.058 36.316 48.536 1.00 7.26 N ATOM 507 CA ASN A 67 2.902 36.239 50.027 1.00 14.04 C ATOM 508 C ASN A 67 1.897 37.200 50.541 1.00 27.39 C ATOM 509 O ASN A 67 1.713 37.239 51.826 1.00 15.17 O ATOM 510 CB ASN A 67 4.271 36.393 50.695 1.00 13.80 C ATOM 511 CG ASN A 67 4.693 37.892 50.798 1.00 39.63 C ATOM 512 OD1 ASN A 67 4.294 38.853 50.129 1.00 16.95 O ATOM 513 ND2 ASN A 67 5.558 38.199 51.826 1.00 27.40 N ATOM 0 H ASN A 67 3.734 36.777 48.270 1.00 7.26 H new ATOM 0 HA ASN A 67 2.552 35.364 50.257 1.00 14.04 H new ATOM 0 HB2 ASN A 67 4.245 36.001 51.582 1.00 13.80 H new ATOM 0 HB3 ASN A 67 4.937 35.903 50.188 1.00 13.80 H new ATOM 0 HD21 ASN A 67 5.786 39.016 51.967 1.00 27.40 H new ATOM 0 HD22 ASN A 67 5.870 37.573 52.327 1.00 27.40 H new ATOM 514 N GLY A 68 1.286 38.084 49.770 1.00 8.63 N ATOM 515 CA GLY A 68 0.266 39.006 50.232 1.00 7.25 C ATOM 516 C GLY A 68 0.794 40.428 50.387 1.00 7.44 C ATOM 517 O GLY A 68 -0.069 41.351 50.438 1.00 10.53 O ATOM 0 H GLY A 68 1.461 38.166 48.932 1.00 8.63 H new ATOM 0 HA2 GLY A 68 -0.475 39.005 49.606 1.00 7.25 H new ATOM 0 HA3 GLY A 68 -0.082 38.699 51.083 1.00 7.25 H new ATOM 518 N GLN A 69 2.067 40.621 50.284 1.00 10.81 N ATOM 519 CA GLN A 69 2.626 42.042 50.335 1.00 8.26 C ATOM 520 C GLN A 69 2.066 42.849 49.204 1.00 15.15 C ATOM 521 O GLN A 69 1.822 42.311 48.124 1.00 11.02 O ATOM 522 CB GLN A 69 4.125 42.042 50.284 1.00 15.07 C ATOM 523 CG GLN A 69 4.759 41.581 51.569 1.00 20.06 C ATOM 524 CD GLN A 69 6.275 41.504 51.363 1.00 17.42 C ATOM 525 OE1 GLN A 69 6.919 40.659 51.929 1.00 29.81 O ATOM 526 NE2 GLN A 69 6.832 42.388 50.438 1.00 12.73 N ATOM 0 H GLN A 69 2.653 39.999 50.185 1.00 10.81 H new ATOM 0 HA GLN A 69 2.360 42.443 51.177 1.00 8.26 H new ATOM 0 HB2 GLN A 69 4.419 41.467 49.560 1.00 15.07 H new ATOM 0 HB3 GLN A 69 4.436 42.938 50.079 1.00 15.07 H new ATOM 0 HG2 GLN A 69 4.547 42.196 52.289 1.00 20.06 H new ATOM 0 HG3 GLN A 69 4.409 40.713 51.825 1.00 20.06 H new ATOM 0 HE21 GLN A 69 6.337 42.978 50.055 1.00 12.73 H new ATOM 0 HE22 GLN A 69 7.670 42.343 50.251 1.00 12.73 H new ATOM 527 N THR A 70 1.972 44.156 49.410 1.00 8.11 N ATOM 528 CA THR A 70 1.410 45.040 48.381 1.00 9.10 C ATOM 529 C THR A 70 2.433 45.962 47.713 1.00 8.88 C ATOM 530 O THR A 70 1.989 46.885 46.993 1.00 16.17 O ATOM 531 CB THR A 70 0.163 45.732 48.896 1.00 17.52 C ATOM 532 OG1 THR A 70 0.556 46.462 50.078 1.00 16.40 O ATOM 533 CG2 THR A 70 -0.961 44.809 49.204 1.00 13.01 C ATOM 0 H THR A 70 2.224 44.554 50.130 1.00 8.11 H new ATOM 0 HA THR A 70 1.130 44.480 47.640 1.00 9.10 H new ATOM 0 HB THR A 70 -0.181 46.313 48.199 1.00 17.52 H new ATOM 0 HG1 THR A 70 -0.111 46.863 50.395 1.00 16.40 H new ATOM 0 HG21 THR A 70 -1.720 45.320 49.527 1.00 13.01 H new ATOM 0 HG22 THR A 70 -1.214 44.327 48.401 1.00 13.01 H new ATOM 0 HG23 THR A 70 -0.684 44.177 49.886 1.00 13.01 H new ATOM 534 N ASN A 71 3.687 45.655 47.867 1.00 7.83 N ATOM 535 CA ASN A 71 4.726 46.423 47.147 1.00 10.99 C ATOM 536 C ASN A 71 5.287 45.655 45.913 1.00 8.17 C ATOM 537 O ASN A 71 6.457 45.809 45.554 1.00 7.46 O ATOM 538 CB ASN A 71 5.848 46.808 48.124 1.00 6.18 C ATOM 539 CG ASN A 71 6.614 45.578 48.587 1.00 6.32 C ATOM 540 OD1 ASN A 71 6.021 44.540 48.844 1.00 14.71 O ATOM 541 ND2 ASN A 71 7.930 45.770 48.638 1.00 13.07 N ATOM 0 H ASN A 71 3.980 45.021 48.369 1.00 7.83 H new ATOM 0 HA ASN A 71 4.316 47.229 46.797 1.00 10.99 H new ATOM 0 HB2 ASN A 71 6.456 47.429 47.694 1.00 6.18 H new ATOM 0 HB3 ASN A 71 5.470 47.266 48.891 1.00 6.18 H new ATOM 0 HD21 ASN A 71 8.450 45.125 48.870 1.00 13.07 H new ATOM 0 HD22 ASN A 71 8.260 46.539 48.439 1.00 13.07 H new ATOM 542 N CYS A 72 4.357 44.886 45.296 1.00 6.83 N ATOM 543 CA CYS A 72 4.766 44.118 44.063 1.00 5.30 C ATOM 544 C CYS A 72 4.238 44.925 42.829 1.00 8.59 C ATOM 545 O CYS A 72 3.253 45.693 42.880 1.00 9.02 O ATOM 546 CB CYS A 72 4.327 42.696 44.114 1.00 9.57 C ATOM 547 SG CYS A 72 5.665 41.581 44.782 1.00 11.50 S ATOM 0 H CYS A 72 3.539 44.792 45.545 1.00 6.83 H new ATOM 0 HA CYS A 72 5.731 44.044 43.995 1.00 5.30 H new ATOM 0 HB2 CYS A 72 3.536 42.621 44.671 1.00 9.57 H new ATOM 0 HB3 CYS A 72 4.076 42.403 43.224 1.00 9.57 H new ATOM 548 N TYR A 73 4.933 44.733 41.749 1.00 8.04 N ATOM 549 CA TYR A 73 4.662 45.386 40.463 1.00 8.70 C ATOM 550 C TYR A 73 4.935 44.387 39.281 1.00 7.85 C ATOM 551 O TYR A 73 5.919 43.733 39.230 1.00 7.81 O ATOM 552 CB TYR A 73 5.589 46.654 40.206 1.00 7.65 C ATOM 553 CG TYR A 73 5.258 47.730 41.183 1.00 9.36 C ATOM 554 CD1 TYR A 73 4.232 48.691 40.978 1.00 12.61 C ATOM 555 CD2 TYR A 73 5.938 47.730 42.417 1.00 10.03 C ATOM 556 CE1 TYR A 73 3.931 49.652 41.955 1.00 14.96 C ATOM 557 CE2 TYR A 73 5.622 48.652 43.446 1.00 11.14 C ATOM 558 CZ TYR A 73 4.611 49.575 43.188 1.00 19.63 C ATOM 559 OH TYR A 73 4.356 50.497 44.217 1.00 23.68 O ATOM 0 H TYR A 73 5.608 44.201 41.722 1.00 8.04 H new ATOM 0 HA TYR A 73 3.734 45.666 40.500 1.00 8.70 H new ATOM 0 HB2 TYR A 73 6.523 46.405 40.291 1.00 7.65 H new ATOM 0 HB3 TYR A 73 5.463 46.978 39.301 1.00 7.65 H new ATOM 0 HD1 TYR A 73 3.751 48.683 40.182 1.00 12.61 H new ATOM 0 HD2 TYR A 73 6.614 47.107 42.560 1.00 10.03 H new ATOM 0 HE1 TYR A 73 3.303 50.319 41.794 1.00 14.96 H new ATOM 0 HE2 TYR A 73 6.071 48.641 44.260 1.00 11.14 H new ATOM 0 HH TYR A 73 4.971 50.458 44.788 1.00 23.68 H new ATOM 560 N GLN A 74 3.932 44.502 38.407 1.00 6.04 N ATOM 561 CA GLN A 74 4.009 43.656 37.173 1.00 7.95 C ATOM 562 C GLN A 74 4.297 44.464 35.939 1.00 12.54 C ATOM 563 O GLN A 74 3.725 45.578 35.733 1.00 9.11 O ATOM 564 CB GLN A 74 2.694 42.888 37.019 1.00 13.53 C ATOM 565 CG GLN A 74 2.681 42.081 35.682 1.00 9.05 C ATOM 566 CD GLN A 74 1.185 41.658 35.528 1.00 30.02 C ATOM 567 OE1 GLN A 74 0.628 41.082 36.453 1.00 35.30 O ATOM 568 NE2 GLN A 74 0.625 42.042 34.397 1.00 62.12 N ATOM 0 H GLN A 74 3.245 45.014 38.482 1.00 6.04 H new ATOM 0 HA GLN A 74 4.749 43.037 37.274 1.00 7.95 H new ATOM 0 HB2 GLN A 74 2.577 42.283 37.768 1.00 13.53 H new ATOM 0 HB3 GLN A 74 1.948 43.508 37.036 1.00 13.53 H new ATOM 0 HG2 GLN A 74 2.978 42.623 34.934 1.00 9.05 H new ATOM 0 HG3 GLN A 74 3.268 41.310 35.724 1.00 9.05 H new ATOM 0 HE21 GLN A 74 1.095 42.443 33.799 1.00 62.12 H new ATOM 0 HE22 GLN A 74 -0.210 41.891 34.258 1.00 62.12 H new ATOM 569 N SER A 75 5.216 43.925 35.116 1.00 9.54 N ATOM 570 CA SER A 75 5.656 44.579 33.882 1.00 7.48 C ATOM 571 C SER A 75 4.473 44.617 32.906 1.00 4.30 C ATOM 572 O SER A 75 3.750 43.618 32.700 1.00 13.03 O ATOM 573 CB SER A 75 6.875 43.925 33.265 1.00 7.14 C ATOM 574 OG SER A 75 6.563 42.580 32.803 1.00 7.88 O ATOM 0 H SER A 75 5.598 43.169 35.264 1.00 9.54 H new ATOM 0 HA SER A 75 5.938 45.482 34.094 1.00 7.48 H new ATOM 0 HB2 SER A 75 7.193 44.461 32.522 1.00 7.14 H new ATOM 0 HB3 SER A 75 7.593 43.889 33.917 1.00 7.14 H new ATOM 0 HG SER A 75 6.376 42.601 31.984 1.00 7.88 H new ATOM 575 N TYR A 76 4.360 45.809 32.289 1.00 11.25 N ATOM 576 CA TYR A 76 3.330 45.962 31.209 1.00 15.80 C ATOM 577 C TYR A 76 3.663 45.078 30.026 1.00 14.06 C ATOM 578 O TYR A 76 2.748 44.425 29.461 1.00 19.18 O ATOM 579 CB TYR A 76 3.214 47.423 30.798 1.00 16.41 C ATOM 580 CG TYR A 76 2.640 48.345 31.877 1.00 13.90 C ATOM 581 CD1 TYR A 76 1.511 47.999 32.597 1.00 20.39 C ATOM 582 CD2 TYR A 76 3.198 49.613 32.031 1.00 22.41 C ATOM 583 CE1 TYR A 76 0.984 48.883 33.522 1.00 20.07 C ATOM 584 CE2 TYR A 76 2.672 50.497 32.957 1.00 23.70 C ATOM 585 CZ TYR A 76 1.557 50.113 33.728 1.00 14.92 C ATOM 586 OH TYR A 76 1.091 51.035 34.654 1.00 30.06 O ATOM 0 H TYR A 76 4.833 46.507 32.459 1.00 11.25 H new ATOM 0 HA TYR A 76 2.469 45.678 31.553 1.00 15.80 H new ATOM 0 HB2 TYR A 76 4.093 47.747 30.547 1.00 16.41 H new ATOM 0 HB3 TYR A 76 2.654 47.481 30.008 1.00 16.41 H new ATOM 0 HD1 TYR A 76 1.106 47.173 32.460 1.00 20.39 H new ATOM 0 HD2 TYR A 76 3.926 49.866 31.510 1.00 22.41 H new ATOM 0 HE1 TYR A 76 0.231 48.640 34.011 1.00 20.07 H new ATOM 0 HE2 TYR A 76 3.052 51.338 33.069 1.00 23.70 H new ATOM 0 HH TYR A 76 1.573 51.723 34.632 1.00 30.06 H new ATOM 587 N SER A 77 4.924 45.002 29.666 1.00 5.48 N ATOM 588 CA SER A 77 5.468 44.194 28.587 1.00 20.37 C ATOM 589 C SER A 77 6.083 42.849 29.049 1.00 20.42 C ATOM 590 O SER A 77 6.492 42.773 30.181 1.00 11.94 O ATOM 591 CB SER A 77 6.598 44.963 27.867 1.00 14.16 C ATOM 592 OG SER A 77 6.037 45.616 26.736 1.00 62.73 O ATOM 0 H SER A 77 5.534 45.452 30.072 1.00 5.48 H new ATOM 0 HA SER A 77 4.711 44.008 28.010 1.00 20.37 H new ATOM 0 HB2 SER A 77 7.002 45.610 28.466 1.00 14.16 H new ATOM 0 HB3 SER A 77 7.301 44.353 27.592 1.00 14.16 H new ATOM 0 HG SER A 77 6.638 46.042 26.332 1.00 62.73 H new ATOM 593 N THR A 78 6.111 41.927 28.073 1.00 14.59 N ATOM 594 CA THR A 78 6.758 40.621 28.330 1.00 15.66 C ATOM 595 C THR A 78 8.258 40.890 28.175 1.00 17.89 C ATOM 596 O THR A 78 8.706 41.889 27.507 1.00 11.46 O ATOM 597 CB THR A 78 6.254 39.429 27.507 1.00 12.69 C ATOM 598 OG1 THR A 78 6.726 39.737 26.170 1.00 22.49 O ATOM 599 CG2 THR A 78 4.787 39.160 27.456 1.00 15.76 C ATOM 0 H THR A 78 5.777 42.027 27.287 1.00 14.59 H new ATOM 0 HA THR A 78 6.524 40.313 29.220 1.00 15.66 H new ATOM 0 HB THR A 78 6.583 38.619 27.927 1.00 12.69 H new ATOM 0 HG1 THR A 78 7.185 39.096 25.880 1.00 22.49 H new ATOM 0 HG21 THR A 78 4.620 38.381 26.902 1.00 15.76 H new ATOM 0 HG22 THR A 78 4.457 38.995 28.353 1.00 15.76 H new ATOM 0 HG23 THR A 78 4.330 39.928 27.079 1.00 15.76 H new ATOM 600 N MET A 79 9.068 40.082 28.792 1.00 8.73 N ATOM 601 CA MET A 79 10.490 40.159 28.792 1.00 6.34 C ATOM 602 C MET A 79 11.130 38.776 28.484 1.00 5.46 C ATOM 603 O MET A 79 10.521 37.777 28.792 1.00 9.31 O ATOM 604 CB MET A 79 11.078 40.697 30.129 1.00 7.30 C ATOM 605 CG MET A 79 10.454 42.042 30.386 1.00 6.63 C ATOM 606 SD MET A 79 11.359 42.773 31.774 1.00 13.03 S ATOM 607 CE MET A 79 10.742 44.464 31.517 1.00 18.01 C ATOM 0 H MET A 79 8.777 39.421 29.259 1.00 8.73 H new ATOM 0 HA MET A 79 10.712 40.793 28.092 1.00 6.34 H new ATOM 0 HB2 MET A 79 10.885 40.086 30.857 1.00 7.30 H new ATOM 0 HB3 MET A 79 12.043 40.774 30.071 1.00 7.30 H new ATOM 0 HG2 MET A 79 10.514 42.606 29.599 1.00 6.63 H new ATOM 0 HG3 MET A 79 9.512 41.951 30.598 1.00 6.63 H new ATOM 0 HE1 MET A 79 11.122 45.053 32.188 1.00 18.01 H new ATOM 0 HE2 MET A 79 11.000 44.772 30.634 1.00 18.01 H new ATOM 0 HE3 MET A 79 9.775 44.471 31.592 1.00 18.01 H new ATOM 608 N SER A 80 12.333 38.853 27.918 1.00 4.52 N ATOM 609 CA SER A 80 13.078 37.623 27.661 1.00 3.29 C ATOM 610 C SER A 80 13.696 37.123 28.998 1.00 6.15 C ATOM 611 O SER A 80 14.491 37.892 29.564 1.00 6.99 O ATOM 612 CB SER A 80 14.212 37.854 26.633 1.00 8.89 C ATOM 613 OG SER A 80 14.895 36.662 26.479 1.00 8.41 O ATOM 0 H SER A 80 12.725 39.581 27.682 1.00 4.52 H new ATOM 0 HA SER A 80 12.468 36.964 27.295 1.00 3.29 H new ATOM 0 HB2 SER A 80 13.846 38.148 25.784 1.00 8.89 H new ATOM 0 HB3 SER A 80 14.812 38.552 26.940 1.00 8.89 H new ATOM 0 HG SER A 80 15.613 36.801 26.065 1.00 8.41 H new ATOM 614 N ILE A 81 13.313 35.932 29.358 1.00 8.04 N ATOM 615 CA ILE A 81 13.856 35.394 30.643 1.00 7.40 C ATOM 616 C ILE A 81 14.297 33.972 30.489 1.00 14.04 C ATOM 617 O ILE A 81 13.962 33.204 29.512 1.00 10.67 O ATOM 618 CB ILE A 81 12.798 35.432 31.723 1.00 4.46 C ATOM 619 CG1 ILE A 81 11.682 34.472 31.414 1.00 5.55 C ATOM 620 CG2 ILE A 81 12.265 36.854 31.980 1.00 8.95 C ATOM 621 CD1 ILE A 81 10.593 34.318 32.494 1.00 19.56 C ATOM 0 H ILE A 81 12.774 35.420 28.926 1.00 8.04 H new ATOM 0 HA ILE A 81 14.612 35.950 30.887 1.00 7.40 H new ATOM 0 HB ILE A 81 13.223 35.147 32.547 1.00 4.46 H new ATOM 0 HG12 ILE A 81 11.256 34.756 30.590 1.00 5.55 H new ATOM 0 HG13 ILE A 81 12.070 33.599 31.246 1.00 5.55 H new ATOM 0 HG21 ILE A 81 11.592 36.826 32.678 1.00 8.95 H new ATOM 0 HG22 ILE A 81 12.995 37.428 32.259 1.00 8.95 H new ATOM 0 HG23 ILE A 81 11.872 37.204 31.166 1.00 8.95 H new ATOM 0 HD11 ILE A 81 9.927 33.680 32.194 1.00 19.56 H new ATOM 0 HD12 ILE A 81 10.996 34.001 33.317 1.00 19.56 H new ATOM 0 HD13 ILE A 81 10.169 35.176 32.651 1.00 19.56 H new ATOM 622 N THR A 82 15.209 33.549 31.363 1.00 4.86 N ATOM 623 CA THR A 82 15.708 32.166 31.414 1.00 3.51 C ATOM 624 C THR A 82 15.296 31.628 32.854 1.00 11.23 C ATOM 625 O THR A 82 15.615 32.320 33.882 1.00 5.04 O ATOM 626 CB THR A 82 17.179 32.012 31.157 1.00 6.37 C ATOM 627 OG1 THR A 82 17.484 32.435 29.872 1.00 4.76 O ATOM 628 CG2 THR A 82 17.691 30.590 31.363 1.00 6.26 C ATOM 0 H THR A 82 15.563 34.063 31.954 1.00 4.86 H new ATOM 0 HA THR A 82 15.314 31.651 30.693 1.00 3.51 H new ATOM 0 HB THR A 82 17.628 32.567 31.814 1.00 6.37 H new ATOM 0 HG1 THR A 82 17.585 33.269 29.868 1.00 4.76 H new ATOM 0 HG21 THR A 82 18.643 30.559 31.182 1.00 6.26 H new ATOM 0 HG22 THR A 82 17.528 30.317 32.279 1.00 6.26 H new ATOM 0 HG23 THR A 82 17.228 29.988 30.759 1.00 6.26 H new ATOM 629 N ASP A 83 14.599 30.513 32.854 1.00 6.33 N ATOM 630 CA ASP A 83 14.265 29.822 34.139 1.00 9.06 C ATOM 631 C ASP A 83 15.307 28.707 34.294 1.00 6.86 C ATOM 632 O ASP A 83 15.606 27.900 33.420 1.00 7.89 O ATOM 633 CB ASP A 83 12.856 29.207 34.191 1.00 16.47 C ATOM 634 CG ASP A 83 11.747 30.206 34.551 1.00 57.04 C ATOM 635 OD1 ASP A 83 11.780 30.936 35.528 1.00 53.13 O ATOM 636 OD2 ASP A 83 10.713 30.244 33.780 1.00 50.94 O ATOM 0 H ASP A 83 14.302 30.125 32.146 1.00 6.33 H new ATOM 0 HA ASP A 83 14.278 30.478 34.853 1.00 9.06 H new ATOM 0 HB2 ASP A 83 12.654 28.812 33.328 1.00 16.47 H new ATOM 0 HB3 ASP A 83 12.852 28.487 34.841 1.00 16.47 H new ATOM 637 N CYS A 84 15.805 28.592 35.528 1.00 5.47 N ATOM 638 CA CYS A 84 16.799 27.593 35.939 1.00 7.24 C ATOM 639 C CYS A 84 16.179 26.786 37.070 1.00 8.66 C ATOM 640 O CYS A 84 15.818 27.439 38.047 1.00 9.20 O ATOM 641 CB CYS A 84 18.110 28.246 36.402 1.00 5.78 C ATOM 642 SG CYS A 84 18.958 29.361 35.219 1.00 6.26 S ATOM 0 H CYS A 84 15.566 29.111 36.171 1.00 5.47 H new ATOM 0 HA CYS A 84 17.027 27.026 35.185 1.00 7.24 H new ATOM 0 HB2 CYS A 84 17.925 28.750 37.210 1.00 5.78 H new ATOM 0 HB3 CYS A 84 18.728 27.539 36.644 1.00 5.78 H new ATOM 643 N ARG A 85 16.091 25.518 36.864 1.00 5.94 N ATOM 644 CA ARG A 85 15.486 24.595 37.944 1.00 4.44 C ATOM 645 C ARG A 85 16.498 23.481 38.098 1.00 8.70 C ATOM 646 O ARG A 85 17.039 22.827 37.224 1.00 6.84 O ATOM 647 CB ARG A 85 14.174 23.980 37.584 1.00 16.27 C ATOM 648 CG ARG A 85 13.264 24.595 36.607 1.00 42.23 C ATOM 649 CD ARG A 85 11.777 24.326 36.916 1.00 57.11 C ATOM 650 NE ARG A 85 11.203 25.710 36.813 1.00 47.53 N ATOM 651 CZ ARG A 85 11.142 26.401 37.996 1.00 53.68 C ATOM 652 NH1 ARG A 85 10.749 25.710 39.075 1.00 66.21 N ATOM 653 NH2 ARG A 85 11.308 27.746 38.047 1.00 50.42 N ATOM 0 H ARG A 85 16.350 25.120 36.147 1.00 5.94 H new ATOM 0 HA ARG A 85 15.313 25.119 38.742 1.00 4.44 H new ATOM 0 HB2 ARG A 85 14.364 23.085 37.263 1.00 16.27 H new ATOM 0 HB3 ARG A 85 13.674 23.885 38.410 1.00 16.27 H new ATOM 0 HG2 ARG A 85 13.417 25.553 36.588 1.00 42.23 H new ATOM 0 HG3 ARG A 85 13.472 24.257 35.722 1.00 42.23 H new ATOM 0 HD2 ARG A 85 11.375 23.715 36.279 1.00 57.11 H new ATOM 0 HD3 ARG A 85 11.650 23.941 37.797 1.00 57.11 H new ATOM 0 HE ARG A 85 10.933 26.044 36.068 1.00 47.53 H new ATOM 0 HH11 ARG A 85 10.551 24.876 39.003 1.00 66.21 H new ATOM 0 HH12 ARG A 85 10.695 26.100 39.839 1.00 66.21 H new ATOM 0 HH21 ARG A 85 11.456 28.189 37.325 1.00 50.42 H new ATOM 0 HH22 ARG A 85 11.265 28.156 38.802 1.00 50.42 H new ATOM 654 N GLU A 86 16.753 23.135 39.435 1.00 7.42 N ATOM 655 CA GLU A 86 17.657 22.059 39.744 1.00 4.58 C ATOM 656 C GLU A 86 17.165 20.714 39.178 1.00 9.10 C ATOM 657 O GLU A 86 15.970 20.445 39.127 1.00 13.55 O ATOM 658 CB GLU A 86 17.758 22.020 41.286 1.00 11.69 C ATOM 659 CG GLU A 86 19.023 21.444 41.800 1.00 14.40 C ATOM 660 CD GLU A 86 19.184 21.406 43.343 1.00 8.48 C ATOM 661 OE1 GLU A 86 18.087 21.790 43.960 1.00 11.68 O ATOM 662 OE2 GLU A 86 20.240 21.021 43.651 1.00 9.31 O ATOM 0 H GLU A 86 16.403 23.525 40.117 1.00 7.42 H new ATOM 0 HA GLU A 86 18.524 22.207 39.336 1.00 4.58 H new ATOM 0 HB2 GLU A 86 17.663 22.922 41.629 1.00 11.69 H new ATOM 0 HB3 GLU A 86 17.015 21.504 41.635 1.00 11.69 H new ATOM 0 HG2 GLU A 86 19.104 20.538 41.463 1.00 14.40 H new ATOM 0 HG3 GLU A 86 19.762 21.952 41.429 1.00 14.40 H new ATOM 663 N THR A 87 18.155 19.945 38.715 1.00 10.65 N ATOM 664 CA THR A 87 17.860 18.600 38.098 1.00 15.75 C ATOM 665 C THR A 87 17.983 17.524 39.178 1.00 17.39 C ATOM 666 O THR A 87 18.575 17.793 40.206 1.00 8.33 O ATOM 667 CB THR A 87 18.678 18.293 36.916 1.00 16.27 C ATOM 668 OG1 THR A 87 19.989 18.024 37.379 1.00 15.18 O ATOM 669 CG2 THR A 87 18.676 19.484 35.939 1.00 13.48 C ATOM 0 H THR A 87 18.988 20.158 38.738 1.00 10.65 H new ATOM 0 HA THR A 87 16.952 18.623 37.759 1.00 15.75 H new ATOM 0 HB THR A 87 18.323 17.528 36.436 1.00 16.27 H new ATOM 0 HG1 THR A 87 20.485 17.842 36.726 1.00 15.18 H new ATOM 0 HG21 THR A 87 19.219 19.268 35.165 1.00 13.48 H new ATOM 0 HG22 THR A 87 17.767 19.668 35.655 1.00 13.48 H new ATOM 0 HG23 THR A 87 19.041 20.266 36.381 1.00 13.48 H new ATOM 670 N GLY A 88 17.411 16.371 38.870 1.00 11.68 N ATOM 671 CA GLY A 88 17.474 15.257 39.847 1.00 6.33 C ATOM 672 C GLY A 88 18.894 14.834 40.052 1.00 9.75 C ATOM 673 O GLY A 88 19.123 14.142 41.080 1.00 18.40 O ATOM 0 H GLY A 88 16.995 16.202 38.137 1.00 11.68 H new ATOM 0 HA2 GLY A 88 17.087 15.536 40.692 1.00 6.33 H new ATOM 0 HA3 GLY A 88 16.948 14.507 39.528 1.00 6.33 H new ATOM 674 N SER A 89 19.829 15.141 39.178 1.00 8.44 N ATOM 675 CA SER A 89 21.219 14.796 39.384 1.00 12.27 C ATOM 676 C SER A 89 22.071 15.833 40.155 1.00 8.68 C ATOM 677 O SER A 89 23.264 15.603 40.412 1.00 16.07 O ATOM 678 CB SER A 89 21.918 14.642 37.996 1.00 14.01 C ATOM 679 OG SER A 89 21.515 13.374 37.533 1.00 23.67 O ATOM 0 H SER A 89 19.675 15.559 38.442 1.00 8.44 H new ATOM 0 HA SER A 89 21.182 13.986 39.917 1.00 12.27 H new ATOM 0 HB2 SER A 89 21.646 15.344 37.384 1.00 14.01 H new ATOM 0 HB3 SER A 89 22.883 14.697 38.079 1.00 14.01 H new ATOM 0 HG SER A 89 21.859 13.228 36.781 1.00 23.67 H new ATOM 680 N SER A 90 21.462 16.948 40.463 1.00 7.91 N ATOM 681 CA SER A 90 22.179 18.062 41.183 1.00 9.18 C ATOM 682 C SER A 90 22.569 17.563 42.572 1.00 8.34 C ATOM 683 O SER A 90 21.743 17.063 43.291 1.00 11.39 O ATOM 684 CB SER A 90 21.285 19.253 41.235 1.00 6.54 C ATOM 685 OG SER A 90 21.974 20.368 41.852 1.00 9.74 O ATOM 0 H SER A 90 20.638 17.113 40.280 1.00 7.91 H new ATOM 0 HA SER A 90 22.990 18.326 40.721 1.00 9.18 H new ATOM 0 HB2 SER A 90 21.003 19.494 40.339 1.00 6.54 H new ATOM 0 HB3 SER A 90 20.482 19.042 41.737 1.00 6.54 H new ATOM 0 HG SER A 90 21.586 20.576 42.568 1.00 9.74 H new ATOM 686 N LYS A 91 23.807 17.793 42.880 1.00 9.67 N ATOM 687 CA LYS A 91 24.334 17.332 44.217 1.00 7.10 C ATOM 688 C LYS A 91 25.434 18.293 44.577 1.00 6.45 C ATOM 689 O LYS A 91 26.532 18.331 43.960 1.00 12.99 O ATOM 690 CB LYS A 91 24.880 15.910 44.114 1.00 19.59 C ATOM 691 CG LYS A 91 25.559 15.526 45.451 1.00 24.46 C ATOM 692 CD LYS A 91 26.924 14.911 45.245 1.00 45.63 C ATOM 693 CE LYS A 91 28.074 15.872 45.245 1.00 47.71 C ATOM 694 NZ LYS A 91 28.697 16.141 43.908 1.00 37.55 N ATOM 0 H LYS A 91 24.375 18.197 42.377 1.00 9.67 H new ATOM 0 HA LYS A 91 23.636 17.320 44.891 1.00 7.10 H new ATOM 0 HB2 LYS A 91 24.161 15.290 43.914 1.00 19.59 H new ATOM 0 HB3 LYS A 91 25.518 15.849 43.386 1.00 19.59 H new ATOM 0 HG2 LYS A 91 25.643 16.316 46.007 1.00 24.46 H new ATOM 0 HG3 LYS A 91 24.994 14.900 45.931 1.00 24.46 H new ATOM 0 HD2 LYS A 91 27.073 14.253 45.942 1.00 45.63 H new ATOM 0 HD3 LYS A 91 26.922 14.434 44.400 1.00 45.63 H new ATOM 0 HE2 LYS A 91 27.770 16.715 45.617 1.00 47.71 H new ATOM 0 HE3 LYS A 91 28.760 15.530 45.840 1.00 47.71 H new ATOM 0 HZ1 LYS A 91 29.557 16.344 44.016 1.00 37.55 H new ATOM 0 HZ2 LYS A 91 28.626 15.417 43.396 1.00 37.55 H new ATOM 0 HZ3 LYS A 91 28.279 16.822 43.517 1.00 37.55 H new ATOM 695 N TYR A 92 25.148 19.100 45.605 1.00 8.09 N ATOM 696 CA TYR A 92 26.050 20.137 46.119 1.00 9.70 C ATOM 697 C TYR A 92 27.425 19.561 46.273 1.00 12.93 C ATOM 698 O TYR A 92 27.433 18.446 46.839 1.00 11.20 O ATOM 699 CB TYR A 92 25.503 20.714 47.405 1.00 8.77 C ATOM 700 CG TYR A 92 26.390 21.828 47.867 1.00 15.01 C ATOM 701 CD1 TYR A 92 26.276 23.135 47.353 1.00 6.00 C ATOM 702 CD2 TYR A 92 27.499 21.521 48.690 1.00 11.08 C ATOM 703 CE1 TYR A 92 27.178 24.096 47.764 1.00 10.04 C ATOM 704 CE2 TYR A 92 28.372 22.482 49.101 1.00 11.78 C ATOM 705 CZ TYR A 92 28.211 23.788 48.638 1.00 10.65 C ATOM 706 OH TYR A 92 29.098 24.710 49.101 1.00 13.02 O ATOM 0 H TYR A 92 24.404 19.057 46.033 1.00 8.09 H new ATOM 0 HA TYR A 92 26.111 20.875 45.492 1.00 9.70 H new ATOM 0 HB2 TYR A 92 24.601 21.042 47.266 1.00 8.77 H new ATOM 0 HB3 TYR A 92 25.452 20.024 48.085 1.00 8.77 H new ATOM 0 HD1 TYR A 92 25.604 23.347 46.746 1.00 6.00 H new ATOM 0 HD2 TYR A 92 27.635 20.641 48.957 1.00 11.08 H new ATOM 0 HE1 TYR A 92 27.092 24.967 47.449 1.00 10.04 H new ATOM 0 HE2 TYR A 92 29.066 22.270 49.683 1.00 11.78 H new ATOM 0 HH TYR A 92 28.847 25.479 48.874 1.00 13.02 H new ATOM 707 N PRO A 93 28.505 20.176 45.811 1.00 14.28 N ATOM 708 CA PRO A 93 28.604 21.482 45.194 1.00 14.31 C ATOM 709 C PRO A 93 28.503 21.444 43.651 1.00 11.82 C ATOM 710 O PRO A 93 28.663 22.482 43.034 1.00 14.04 O ATOM 711 CB PRO A 93 29.960 21.944 45.708 1.00 16.21 C ATOM 712 CG PRO A 93 30.853 20.714 45.656 1.00 23.04 C ATOM 713 CD PRO A 93 29.881 19.561 45.965 1.00 18.73 C ATOM 0 HA PRO A 93 27.875 22.082 45.419 1.00 14.31 H new ATOM 0 HB2 PRO A 93 30.317 22.659 45.158 1.00 16.21 H new ATOM 0 HB3 PRO A 93 29.892 22.289 46.612 1.00 16.21 H new ATOM 0 HG2 PRO A 93 31.268 20.609 44.786 1.00 23.04 H new ATOM 0 HG3 PRO A 93 31.569 20.763 46.308 1.00 23.04 H new ATOM 0 HD2 PRO A 93 30.007 18.819 45.353 1.00 18.73 H new ATOM 0 HD3 PRO A 93 30.016 19.216 46.861 1.00 18.73 H new ATOM 714 N ASN A 94 28.177 20.253 43.137 1.00 14.55 N ATOM 715 CA ASN A 94 28.030 20.137 41.646 1.00 16.37 C ATOM 716 C ASN A 94 26.535 20.291 41.389 1.00 8.50 C ATOM 717 O ASN A 94 25.798 19.330 41.029 1.00 11.55 O ATOM 718 CB ASN A 94 28.704 18.908 41.029 1.00 15.55 C ATOM 719 CG ASN A 94 30.228 18.946 41.389 1.00 21.68 C ATOM 720 OD1 ASN A 94 30.625 17.985 42.263 1.00 43.43 O flip ATOM 721 ND2 ASN A 94 30.930 19.868 40.978 1.00 33.84 N flip ATOM 0 H ASN A 94 28.041 19.533 43.587 1.00 14.55 H new ATOM 0 HA ASN A 94 28.522 20.830 41.179 1.00 16.37 H new ATOM 0 HB2 ASN A 94 28.298 18.095 41.367 1.00 15.55 H new ATOM 0 HB3 ASN A 94 28.585 18.905 40.066 1.00 15.55 H new ATOM 0 HD21 ASN A 94 30.607 20.440 40.423 1.00 33.84 H new ATOM 0 HD22 ASN A 94 31.744 19.941 41.245 1.00 33.84 H new ATOM 722 N CYS A 95 26.125 21.559 41.543 1.00 8.79 N ATOM 723 CA CYS A 95 24.735 21.944 41.338 1.00 8.87 C ATOM 724 C CYS A 95 24.483 21.867 39.795 1.00 7.64 C ATOM 725 O CYS A 95 25.325 22.328 39.024 1.00 12.02 O ATOM 726 CB CYS A 95 24.365 23.289 41.852 1.00 8.61 C ATOM 727 SG CYS A 95 24.841 23.481 43.651 1.00 8.50 S ATOM 0 H CYS A 95 26.644 22.207 41.767 1.00 8.79 H new ATOM 0 HA CYS A 95 24.177 21.338 41.850 1.00 8.87 H new ATOM 0 HB2 CYS A 95 24.806 23.972 41.324 1.00 8.61 H new ATOM 0 HB3 CYS A 95 23.410 23.425 41.751 1.00 8.61 H new ATOM 728 N ALA A 96 23.367 21.290 39.487 1.00 7.50 N ATOM 729 CA ALA A 96 22.992 21.098 38.047 1.00 11.06 C ATOM 730 C ALA A 96 21.572 21.598 37.841 1.00 5.84 C ATOM 731 O ALA A 96 20.623 21.406 38.664 1.00 5.49 O ATOM 732 CB ALA A 96 23.163 19.638 37.687 1.00 6.70 C ATOM 0 H ALA A 96 22.795 20.993 40.056 1.00 7.50 H new ATOM 0 HA ALA A 96 23.567 21.609 37.457 1.00 11.06 H new ATOM 0 HB1 ALA A 96 22.923 19.504 36.757 1.00 6.70 H new ATOM 0 HB2 ALA A 96 24.087 19.377 37.823 1.00 6.70 H new ATOM 0 HB3 ALA A 96 22.589 19.096 38.250 1.00 6.70 H new ATOM 733 N TYR A 97 21.435 22.251 36.710 1.00 5.45 N ATOM 734 CA TYR A 97 20.214 22.904 36.350 1.00 1.28 C ATOM 735 C TYR A 97 19.704 22.635 34.859 1.00 4.23 C ATOM 736 O TYR A 97 20.533 22.482 33.934 1.00 8.88 O ATOM 737 CB TYR A 97 20.350 24.480 36.402 1.00 4.66 C ATOM 738 CG TYR A 97 20.618 24.903 37.893 1.00 3.69 C ATOM 739 CD1 TYR A 97 21.928 24.903 38.355 1.00 5.82 C ATOM 740 CD2 TYR A 97 19.578 25.172 38.715 1.00 4.51 C ATOM 741 CE1 TYR A 97 22.183 25.210 39.692 1.00 8.58 C ATOM 742 CE2 TYR A 97 19.802 25.479 40.052 1.00 6.56 C ATOM 743 CZ TYR A 97 21.113 25.479 40.515 1.00 7.24 C ATOM 744 OH TYR A 97 21.444 25.787 41.800 1.00 8.66 O ATOM 0 H TYR A 97 22.060 22.326 36.124 1.00 5.45 H new ATOM 0 HA TYR A 97 19.594 22.533 36.998 1.00 1.28 H new ATOM 0 HB2 TYR A 97 21.076 24.776 35.831 1.00 4.66 H new ATOM 0 HB3 TYR A 97 19.541 24.900 36.072 1.00 4.66 H new ATOM 0 HD1 TYR A 97 22.629 24.700 37.778 1.00 5.82 H new ATOM 0 HD2 TYR A 97 18.709 25.151 38.384 1.00 4.51 H new ATOM 0 HE1 TYR A 97 23.053 25.232 40.019 1.00 8.58 H new ATOM 0 HE2 TYR A 97 19.094 25.679 40.621 1.00 6.56 H new ATOM 0 HH TYR A 97 20.762 26.058 42.208 1.00 8.66 H new ATOM 745 N LYS A 98 18.433 22.635 34.859 1.00 9.79 N ATOM 746 CA LYS A 98 17.739 22.520 33.471 1.00 8.35 C ATOM 747 C LYS A 98 17.547 24.019 33.111 1.00 8.33 C ATOM 748 O LYS A 98 16.977 24.826 33.882 1.00 7.54 O ATOM 749 CB LYS A 98 16.465 21.828 33.677 1.00 6.57 C ATOM 750 CG LYS A 98 15.375 21.790 32.597 1.00 21.26 C ATOM 751 CD LYS A 98 15.922 21.598 31.209 1.00 28.30 C ATOM 752 CE LYS A 98 16.744 20.406 30.900 1.00 59.68 C ATOM 753 NZ LYS A 98 17.533 20.598 29.615 1.00 62.99 N ATOM 0 H LYS A 98 17.920 22.692 35.547 1.00 9.79 H new ATOM 0 HA LYS A 98 18.212 22.031 32.779 1.00 8.35 H new ATOM 0 HB2 LYS A 98 16.679 20.906 33.891 1.00 6.57 H new ATOM 0 HB3 LYS A 98 16.061 22.216 34.469 1.00 6.57 H new ATOM 0 HG2 LYS A 98 14.755 21.071 32.796 1.00 21.26 H new ATOM 0 HG3 LYS A 98 14.869 22.617 32.627 1.00 21.26 H new ATOM 0 HD2 LYS A 98 15.168 21.596 30.599 1.00 28.30 H new ATOM 0 HD3 LYS A 98 16.456 22.380 30.998 1.00 28.30 H new ATOM 0 HE2 LYS A 98 17.354 20.232 31.634 1.00 59.68 H new ATOM 0 HE3 LYS A 98 16.171 19.628 30.817 1.00 59.68 H new ATOM 0 HZ1 LYS A 98 18.017 19.869 29.452 1.00 62.99 H new ATOM 0 HZ2 LYS A 98 16.971 20.737 28.939 1.00 62.99 H new ATOM 0 HZ3 LYS A 98 18.073 21.300 29.700 1.00 62.99 H new ATOM 754 N THR A 99 17.957 24.403 31.877 1.00 6.13 N ATOM 755 CA THR A 99 17.768 25.748 31.312 1.00 13.96 C ATOM 756 C THR A 99 16.507 25.748 30.489 1.00 18.83 C ATOM 757 O THR A 99 16.428 24.903 29.564 1.00 11.22 O ATOM 758 CB THR A 99 18.975 26.094 30.438 1.00 8.68 C ATOM 759 OG1 THR A 99 20.084 26.094 31.260 1.00 7.54 O ATOM 760 CG2 THR A 99 18.802 27.477 29.718 1.00 7.13 C ATOM 0 H THR A 99 18.362 23.868 31.339 1.00 6.13 H new ATOM 0 HA THR A 99 17.691 26.409 32.017 1.00 13.96 H new ATOM 0 HB THR A 99 19.071 25.438 29.730 1.00 8.68 H new ATOM 0 HG1 THR A 99 20.640 25.529 30.981 1.00 7.54 H new ATOM 0 HG21 THR A 99 19.585 27.660 29.176 1.00 7.13 H new ATOM 0 HG22 THR A 99 18.015 27.451 29.151 1.00 7.13 H new ATOM 0 HG23 THR A 99 18.698 28.177 30.382 1.00 7.13 H new ATOM 761 N THR A 100 15.611 26.670 30.746 1.00 6.89 N ATOM 762 CA THR A 100 14.334 26.824 29.975 1.00 7.52 C ATOM 763 C THR A 100 14.204 28.284 29.512 1.00 13.19 C ATOM 764 O THR A 100 14.268 29.168 30.386 1.00 8.67 O ATOM 765 CB THR A 100 13.113 26.363 30.798 1.00 16.65 C ATOM 766 OG1 THR A 100 13.305 24.979 31.157 1.00 18.28 O ATOM 767 CG2 THR A 100 11.836 26.594 30.026 1.00 18.34 C ATOM 0 H THR A 100 15.702 27.247 31.377 1.00 6.89 H new ATOM 0 HA THR A 100 14.360 26.250 29.194 1.00 7.52 H new ATOM 0 HB THR A 100 13.032 26.883 31.613 1.00 16.65 H new ATOM 0 HG1 THR A 100 12.648 24.713 31.608 1.00 18.28 H new ATOM 0 HG21 THR A 100 11.079 26.299 30.556 1.00 18.34 H new ATOM 0 HG22 THR A 100 11.744 27.539 29.828 1.00 18.34 H new ATOM 0 HG23 THR A 100 11.864 26.092 29.196 1.00 18.34 H new ATOM 768 N GLN A 101 14.008 28.553 28.278 1.00 11.74 N ATOM 769 CA GLN A 101 13.864 29.975 27.764 1.00 11.59 C ATOM 770 C GLN A 101 12.350 30.321 27.764 1.00 14.81 C ATOM 771 O GLN A 101 11.491 29.437 27.507 1.00 20.19 O ATOM 772 CB GLN A 101 14.472 30.168 26.376 1.00 23.79 C ATOM 773 CG GLN A 101 15.717 29.437 26.067 1.00 64.51 C ATOM 774 CD GLN A 101 16.085 29.553 24.576 1.00 64.24 C ATOM 775 OE1 GLN A 101 15.371 29.092 23.651 1.00 26.84 O ATOM 776 NE2 GLN A 101 17.239 30.129 24.268 1.00 27.47 N ATOM 0 H GLN A 101 13.946 27.952 27.666 1.00 11.74 H new ATOM 0 HA GLN A 101 14.356 30.575 28.346 1.00 11.59 H new ATOM 0 HB2 GLN A 101 13.805 29.913 25.719 1.00 23.79 H new ATOM 0 HB3 GLN A 101 14.643 31.115 26.254 1.00 23.79 H new ATOM 0 HG2 GLN A 101 16.442 29.787 26.608 1.00 64.51 H new ATOM 0 HG3 GLN A 101 15.612 28.502 26.304 1.00 64.51 H new ATOM 0 HE21 GLN A 101 17.739 30.449 24.890 1.00 27.47 H new ATOM 0 HE22 GLN A 101 17.487 30.182 23.446 1.00 27.47 H new ATOM 777 N ALA A 102 12.029 31.589 28.021 1.00 8.02 N ATOM 778 CA ALA A 102 10.652 32.012 27.970 1.00 9.75 C ATOM 779 C ALA A 102 10.579 33.549 27.815 1.00 4.83 C ATOM 780 O ALA A 102 11.578 34.203 27.815 1.00 10.94 O ATOM 781 CB ALA A 102 9.908 31.666 29.306 1.00 17.80 C ATOM 0 H ALA A 102 12.593 32.206 28.224 1.00 8.02 H new ATOM 0 HA ALA A 102 10.239 31.555 27.220 1.00 9.75 H new ATOM 0 HB1 ALA A 102 8.985 31.959 29.248 1.00 17.80 H new ATOM 0 HB2 ALA A 102 9.933 30.707 29.452 1.00 17.80 H new ATOM 0 HB3 ALA A 102 10.344 32.117 30.046 1.00 17.80 H new ATOM 782 N ASN A 103 9.372 33.972 27.507 1.00 11.96 N ATOM 783 CA ASN A 103 9.072 35.394 27.301 1.00 9.91 C ATOM 784 C ASN A 103 7.850 35.663 28.124 1.00 10.59 C ATOM 785 O ASN A 103 6.781 35.087 27.764 1.00 12.97 O ATOM 786 CB ASN A 103 8.850 35.663 25.759 1.00 17.97 C ATOM 787 CG ASN A 103 9.307 37.085 25.553 1.00 37.87 C ATOM 788 OD1 ASN A 103 8.533 38.007 25.707 1.00 61.24 O ATOM 789 ND2 ASN A 103 10.598 37.162 25.193 1.00 49.07 N ATOM 0 H ASN A 103 8.695 33.451 27.409 1.00 11.96 H new ATOM 0 HA ASN A 103 9.791 35.986 27.574 1.00 9.91 H new ATOM 0 HB2 ASN A 103 9.363 35.045 25.215 1.00 17.97 H new ATOM 0 HB3 ASN A 103 7.919 35.552 25.512 1.00 17.97 H new ATOM 0 HD21 ASN A 103 10.958 37.929 25.045 1.00 49.07 H new ATOM 0 HD22 ASN A 103 11.065 36.445 25.110 1.00 49.07 H new ATOM 790 N LYS A 104 7.926 36.393 29.255 1.00 11.84 N ATOM 791 CA LYS A 104 6.750 36.508 30.129 1.00 7.79 C ATOM 792 C LYS A 104 6.877 37.854 30.798 1.00 6.00 C ATOM 793 O LYS A 104 7.908 38.468 30.695 1.00 8.02 O ATOM 794 CB LYS A 104 6.797 35.394 31.157 1.00 20.16 C ATOM 795 CG LYS A 104 6.715 34.011 30.438 1.00 17.39 C ATOM 796 CD LYS A 104 5.918 33.011 31.260 1.00 30.05 C ATOM 797 CE LYS A 104 6.736 32.358 32.340 1.00 44.10 C ATOM 798 NZ LYS A 104 6.004 31.128 32.751 1.00 34.98 N ATOM 0 H LYS A 104 8.626 36.814 29.523 1.00 11.84 H new ATOM 0 HA LYS A 104 5.912 36.435 29.647 1.00 7.79 H new ATOM 0 HB2 LYS A 104 7.617 35.452 31.673 1.00 20.16 H new ATOM 0 HB3 LYS A 104 6.061 35.488 31.782 1.00 20.16 H new ATOM 0 HG2 LYS A 104 6.302 34.120 29.567 1.00 17.39 H new ATOM 0 HG3 LYS A 104 7.610 33.669 30.286 1.00 17.39 H new ATOM 0 HD2 LYS A 104 5.160 33.462 31.663 1.00 30.05 H new ATOM 0 HD3 LYS A 104 5.562 32.327 30.672 1.00 30.05 H new ATOM 0 HE2 LYS A 104 7.623 32.138 32.014 1.00 44.10 H new ATOM 0 HE3 LYS A 104 6.852 32.957 33.094 1.00 44.10 H new ATOM 0 HZ1 LYS A 104 6.459 30.712 33.392 1.00 34.98 H new ATOM 0 HZ2 LYS A 104 5.198 31.350 33.056 1.00 34.98 H new ATOM 0 HZ3 LYS A 104 5.917 30.586 32.050 1.00 34.98 H new ATOM 799 N HIS A 105 5.764 38.123 31.466 1.00 10.15 N ATOM 800 CA HIS A 105 5.692 39.391 32.289 1.00 8.69 C ATOM 801 C HIS A 105 6.432 39.006 33.625 1.00 13.64 C ATOM 802 O HIS A 105 6.321 37.854 33.985 1.00 12.22 O ATOM 803 CB HIS A 105 4.296 39.813 32.597 1.00 8.75 C ATOM 804 CG HIS A 105 3.495 40.236 31.363 1.00 17.98 C ATOM 805 ND1 HIS A 105 3.396 41.466 30.798 1.00 18.70 N flip ATOM 806 CD2 HIS A 105 2.717 39.352 30.643 1.00 19.72 C flip ATOM 807 CE1 HIS A 105 2.578 41.351 29.718 1.00 14.85 C flip ATOM 808 NE2 HIS A 105 2.170 40.082 29.666 1.00 25.02 N flip ATOM 0 H HIS A 105 5.059 37.631 31.476 1.00 10.15 H new ATOM 0 HA HIS A 105 6.084 40.138 31.811 1.00 8.69 H new ATOM 0 HB2 HIS A 105 3.835 39.082 33.037 1.00 8.75 H new ATOM 0 HB3 HIS A 105 4.321 40.551 33.225 1.00 8.75 H new ATOM 0 HD1 HIS A 105 3.780 42.185 31.072 1.00 18.70 H new ATOM 0 HD2 HIS A 105 2.599 38.444 30.803 1.00 19.72 H new ATOM 0 HE1 HIS A 105 2.346 42.030 29.126 1.00 14.85 H new ATOM 809 N ILE A 106 7.075 39.967 34.191 1.00 8.54 N ATOM 810 CA ILE A 106 7.800 39.698 35.476 1.00 3.58 C ATOM 811 C ILE A 106 7.074 40.544 36.556 1.00 7.57 C ATOM 812 O ILE A 106 6.487 41.543 36.299 1.00 9.00 O ATOM 813 CB ILE A 106 9.240 40.006 35.322 1.00 5.66 C ATOM 814 CG1 ILE A 106 9.484 41.504 35.116 1.00 13.49 C ATOM 815 CG2 ILE A 106 9.874 39.122 34.242 1.00 9.78 C ATOM 816 CD1 ILE A 106 10.933 41.966 35.425 1.00 11.54 C ATOM 0 H ILE A 106 7.130 40.772 33.893 1.00 8.54 H new ATOM 0 HA ILE A 106 7.779 38.765 35.741 1.00 3.58 H new ATOM 0 HB ILE A 106 9.691 39.788 36.152 1.00 5.66 H new ATOM 0 HG12 ILE A 106 9.273 41.732 34.197 1.00 13.49 H new ATOM 0 HG13 ILE A 106 8.871 42.001 35.680 1.00 13.49 H new ATOM 0 HG21 ILE A 106 10.816 39.339 34.157 1.00 9.78 H new ATOM 0 HG22 ILE A 106 9.779 38.189 34.490 1.00 9.78 H new ATOM 0 HG23 ILE A 106 9.429 39.277 33.394 1.00 9.78 H new ATOM 0 HD11 ILE A 106 11.008 42.921 35.272 1.00 11.54 H new ATOM 0 HD12 ILE A 106 11.145 41.770 36.351 1.00 11.54 H new ATOM 0 HD13 ILE A 106 11.553 41.496 34.846 1.00 11.54 H new ATOM 817 N ILE A 107 7.165 39.967 37.739 1.00 7.56 N ATOM 818 CA ILE A 107 6.573 40.582 38.972 1.00 7.42 C ATOM 819 C ILE A 107 7.756 40.736 39.949 1.00 5.84 C ATOM 820 O ILE A 107 8.388 39.737 40.258 1.00 7.29 O ATOM 821 CB ILE A 107 5.445 39.813 39.589 1.00 3.57 C ATOM 822 CG1 ILE A 107 4.293 39.660 38.613 1.00 8.89 C ATOM 823 CG2 ILE A 107 4.900 40.582 40.772 1.00 11.96 C ATOM 824 CD1 ILE A 107 3.137 38.776 39.024 1.00 12.77 C ATOM 0 H ILE A 107 7.562 39.216 37.875 1.00 7.56 H new ATOM 0 HA ILE A 107 6.154 41.426 38.743 1.00 7.42 H new ATOM 0 HB ILE A 107 5.791 38.944 39.846 1.00 3.57 H new ATOM 0 HG12 ILE A 107 3.941 40.544 38.426 1.00 8.89 H new ATOM 0 HG13 ILE A 107 4.651 39.315 37.780 1.00 8.89 H new ATOM 0 HG21 ILE A 107 4.169 40.085 41.172 1.00 11.96 H new ATOM 0 HG22 ILE A 107 5.603 40.708 41.428 1.00 11.96 H new ATOM 0 HG23 ILE A 107 4.577 41.447 40.475 1.00 11.96 H new ATOM 0 HD11 ILE A 107 2.472 38.763 38.318 1.00 12.77 H new ATOM 0 HD12 ILE A 107 3.459 37.875 39.181 1.00 12.77 H new ATOM 0 HD13 ILE A 107 2.737 39.123 39.837 1.00 12.77 H new ATOM 825 N VAL A 108 7.963 42.004 40.361 1.00 5.21 N ATOM 826 CA VAL A 108 9.071 42.273 41.286 1.00 6.75 C ATOM 827 C VAL A 108 8.479 43.042 42.520 1.00 6.17 C ATOM 828 O VAL A 108 7.467 43.733 42.366 1.00 6.68 O ATOM 829 CB VAL A 108 10.200 43.042 40.566 1.00 5.61 C ATOM 830 CG1 VAL A 108 10.851 42.235 39.435 1.00 9.98 C ATOM 831 CG2 VAL A 108 9.617 44.387 40.001 1.00 4.17 C ATOM 0 H VAL A 108 7.496 42.687 40.127 1.00 5.21 H new ATOM 0 HA VAL A 108 9.480 41.452 41.602 1.00 6.75 H new ATOM 0 HB VAL A 108 10.899 43.215 41.216 1.00 5.61 H new ATOM 0 HG11 VAL A 108 11.550 42.765 39.020 1.00 9.98 H new ATOM 0 HG12 VAL A 108 11.235 41.421 39.797 1.00 9.98 H new ATOM 0 HG13 VAL A 108 10.181 42.008 38.772 1.00 9.98 H new ATOM 0 HG21 VAL A 108 10.319 44.878 39.546 1.00 4.17 H new ATOM 0 HG22 VAL A 108 8.902 44.192 39.375 1.00 4.17 H new ATOM 0 HG23 VAL A 108 9.270 44.922 40.732 1.00 4.17 H new ATOM 832 N ALA A 109 9.207 42.888 43.600 1.00 6.25 N ATOM 833 CA ALA A 109 8.843 43.695 44.782 1.00 4.74 C ATOM 834 C ALA A 109 9.858 44.886 44.731 1.00 7.65 C ATOM 835 O ALA A 109 10.998 44.656 44.371 1.00 5.89 O ATOM 836 CB ALA A 109 9.023 42.926 46.068 1.00 7.50 C ATOM 0 H ALA A 109 9.880 42.360 43.688 1.00 6.25 H new ATOM 0 HA ALA A 109 7.912 43.966 44.764 1.00 4.74 H new ATOM 0 HB1 ALA A 109 8.775 43.488 46.819 1.00 7.50 H new ATOM 0 HB2 ALA A 109 8.459 42.137 46.055 1.00 7.50 H new ATOM 0 HB3 ALA A 109 9.951 42.658 46.158 1.00 7.50 H new ATOM 837 N CYS A 110 9.400 46.078 45.039 1.00 6.09 N ATOM 838 CA CYS A 110 10.248 47.230 45.039 1.00 7.75 C ATOM 839 C CYS A 110 10.305 47.922 46.428 1.00 12.59 C ATOM 840 O CYS A 110 9.327 47.884 47.147 1.00 8.43 O ATOM 841 CB CYS A 110 9.746 48.345 44.011 1.00 7.17 C ATOM 842 SG CYS A 110 9.586 47.499 42.366 1.00 9.76 S ATOM 0 H CYS A 110 8.583 46.238 45.255 1.00 6.09 H new ATOM 0 HA CYS A 110 11.121 46.891 44.787 1.00 7.75 H new ATOM 0 HB2 CYS A 110 8.896 48.718 44.293 1.00 7.17 H new ATOM 0 HB3 CYS A 110 10.377 49.080 43.962 1.00 7.17 H new ATOM 843 N GLU A 111 11.468 48.537 46.582 1.00 6.94 N ATOM 844 CA GLU A 111 11.633 49.267 47.919 1.00 13.55 C ATOM 845 C GLU A 111 12.664 50.382 47.713 1.00 17.48 C ATOM 846 O GLU A 111 13.508 50.343 46.839 1.00 13.00 O ATOM 847 CB GLU A 111 12.225 48.345 48.947 1.00 10.05 C ATOM 848 CG GLU A 111 11.568 47.077 49.410 1.00 27.44 C ATOM 849 CD GLU A 111 12.250 46.231 50.438 1.00 43.01 C ATOM 850 OE1 GLU A 111 13.333 46.769 50.952 1.00 35.93 O ATOM 851 OE2 GLU A 111 11.867 45.117 50.798 1.00 41.03 O ATOM 0 H GLU A 111 12.122 48.568 46.025 1.00 6.94 H new ATOM 0 HA GLU A 111 10.768 49.594 48.210 1.00 13.55 H new ATOM 0 HB2 GLU A 111 13.100 48.091 48.613 1.00 10.05 H new ATOM 0 HB3 GLU A 111 12.370 48.882 49.742 1.00 10.05 H new ATOM 0 HG2 GLU A 111 10.694 47.312 49.759 1.00 27.44 H new ATOM 0 HG3 GLU A 111 11.421 46.523 48.628 1.00 27.44 H new ATOM 852 N GLY A 112 12.697 51.304 48.690 1.00 15.24 N ATOM 853 CA GLY A 112 13.710 52.342 48.741 1.00 9.91 C ATOM 854 C GLY A 112 13.388 53.610 47.919 1.00 8.90 C ATOM 855 O GLY A 112 12.336 53.840 47.405 1.00 14.43 O ATOM 0 H GLY A 112 12.129 51.335 49.335 1.00 15.24 H new ATOM 0 HA2 GLY A 112 13.844 52.599 49.667 1.00 9.91 H new ATOM 0 HA3 GLY A 112 14.549 51.972 48.424 1.00 9.91 H new ATOM 856 N ASN A 113 14.448 54.378 47.919 1.00 12.18 N ATOM 857 CA ASN A 113 14.608 55.647 47.199 1.00 13.54 C ATOM 858 C ASN A 113 16.068 55.762 46.685 1.00 29.79 C ATOM 859 O ASN A 113 16.966 55.954 47.507 1.00 26.73 O ATOM 860 CB ASN A 113 14.188 56.800 48.073 1.00 22.66 C ATOM 861 CG ASN A 113 14.606 58.106 47.405 1.00 32.04 C ATOM 862 OD1 ASN A 113 15.569 58.798 47.816 1.00 55.65 O ATOM 863 ND2 ASN A 113 13.924 58.375 46.273 1.00 50.86 N ATOM 0 H ASN A 113 15.152 54.170 48.367 1.00 12.18 H new ATOM 0 HA ASN A 113 14.027 55.673 46.422 1.00 13.54 H new ATOM 0 HB2 ASN A 113 13.228 56.785 48.209 1.00 22.66 H new ATOM 0 HB3 ASN A 113 14.599 56.724 48.948 1.00 22.66 H new ATOM 0 HD21 ASN A 113 14.143 59.052 45.790 1.00 50.86 H new ATOM 0 HD22 ASN A 113 13.271 57.869 46.034 1.00 50.86 H new ATOM 864 N PRO A 114 16.251 55.647 45.399 1.00 12.34 N ATOM 865 CA PRO A 114 15.266 55.416 44.371 1.00 10.31 C ATOM 866 C PRO A 114 14.521 54.109 44.628 1.00 8.87 C ATOM 867 O PRO A 114 15.134 53.187 45.194 1.00 12.16 O ATOM 868 CB PRO A 114 16.101 55.339 43.034 1.00 18.87 C ATOM 869 CG PRO A 114 17.548 54.993 43.446 1.00 22.46 C ATOM 870 CD PRO A 114 17.622 55.762 44.782 1.00 19.10 C ATOM 0 HA PRO A 114 14.590 56.111 44.339 1.00 10.31 H new ATOM 0 HB2 PRO A 114 15.740 54.663 42.439 1.00 18.87 H new ATOM 0 HB3 PRO A 114 16.069 56.183 42.557 1.00 18.87 H new ATOM 0 HG2 PRO A 114 17.686 54.039 43.556 1.00 22.46 H new ATOM 0 HG3 PRO A 114 18.203 55.302 42.801 1.00 22.46 H new ATOM 0 HD2 PRO A 114 18.299 55.383 45.365 1.00 19.10 H new ATOM 0 HD3 PRO A 114 17.861 56.691 44.636 1.00 19.10 H new ATOM 871 N TYR A 115 13.331 54.033 44.165 1.00 9.52 N ATOM 872 CA TYR A 115 12.436 52.880 44.320 1.00 8.70 C ATOM 873 C TYR A 115 12.843 51.880 43.291 1.00 11.68 C ATOM 874 O TYR A 115 12.450 52.150 42.109 1.00 11.46 O ATOM 875 CB TYR A 115 11.031 53.341 44.165 1.00 14.21 C ATOM 876 CG TYR A 115 9.904 52.457 44.680 1.00 19.32 C ATOM 877 CD1 TYR A 115 9.887 52.034 46.016 1.00 9.25 C ATOM 878 CD2 TYR A 115 8.795 52.111 43.857 1.00 7.98 C ATOM 879 CE1 TYR A 115 8.821 51.266 46.530 1.00 8.49 C ATOM 880 CE2 TYR A 115 7.745 51.342 44.320 1.00 10.47 C ATOM 881 CZ TYR A 115 7.772 50.958 45.708 1.00 12.28 C ATOM 882 OH TYR A 115 6.736 50.228 46.222 1.00 14.86 O ATOM 0 H TYR A 115 12.972 54.675 43.720 1.00 9.52 H new ATOM 0 HA TYR A 115 12.497 52.466 45.195 1.00 8.70 H new ATOM 0 HB2 TYR A 115 10.954 54.201 44.607 1.00 14.21 H new ATOM 0 HB3 TYR A 115 10.875 53.493 43.220 1.00 14.21 H new ATOM 0 HD1 TYR A 115 10.593 52.264 46.575 1.00 9.25 H new ATOM 0 HD2 TYR A 115 8.777 52.413 42.978 1.00 7.98 H new ATOM 0 HE1 TYR A 115 8.831 50.974 47.413 1.00 8.49 H new ATOM 0 HE2 TYR A 115 7.050 51.083 43.759 1.00 10.47 H new ATOM 0 HH TYR A 115 6.659 50.390 47.043 1.00 14.86 H new ATOM 883 N VAL A 116 13.520 50.804 43.651 1.00 9.08 N ATOM 884 CA VAL A 116 13.971 49.805 42.674 1.00 7.11 C ATOM 885 C VAL A 116 13.603 48.422 43.086 1.00 6.76 C ATOM 886 O VAL A 116 13.180 48.114 44.165 1.00 5.81 O ATOM 887 CB VAL A 116 15.532 49.997 42.520 1.00 15.85 C ATOM 888 CG1 VAL A 116 15.948 51.342 41.955 1.00 6.86 C ATOM 889 CG2 VAL A 116 16.211 49.767 43.857 1.00 11.90 C ATOM 0 H VAL A 116 13.735 50.625 44.464 1.00 9.08 H new ATOM 0 HA VAL A 116 13.532 49.933 41.819 1.00 7.11 H new ATOM 0 HB VAL A 116 15.818 49.338 41.868 1.00 15.85 H new ATOM 0 HG11 VAL A 116 16.915 51.382 41.892 1.00 6.86 H new ATOM 0 HG12 VAL A 116 15.562 51.456 41.073 1.00 6.86 H new ATOM 0 HG13 VAL A 116 15.633 52.050 42.539 1.00 6.86 H new ATOM 0 HG21 VAL A 116 17.169 49.886 43.758 1.00 11.90 H new ATOM 0 HG22 VAL A 116 15.872 50.403 44.506 1.00 11.90 H new ATOM 0 HG23 VAL A 116 16.027 48.865 44.163 1.00 11.90 H new ATOM 890 N PRO A 117 13.797 47.461 42.160 1.00 7.49 N ATOM 891 CA PRO A 117 13.475 46.039 42.417 1.00 4.31 C ATOM 892 C PRO A 117 14.446 45.424 43.394 1.00 9.03 C ATOM 893 O PRO A 117 15.705 45.578 43.240 1.00 7.91 O ATOM 894 CB PRO A 117 13.599 45.347 41.029 1.00 7.27 C ATOM 895 CG PRO A 117 13.583 46.462 40.001 1.00 8.76 C ATOM 896 CD PRO A 117 14.179 47.692 40.721 1.00 6.14 C ATOM 0 HA PRO A 117 12.593 45.938 42.809 1.00 4.31 H new ATOM 0 HB2 PRO A 117 14.419 44.832 40.970 1.00 7.27 H new ATOM 0 HB3 PRO A 117 12.865 44.729 40.882 1.00 7.27 H new ATOM 0 HG2 PRO A 117 14.108 46.225 39.220 1.00 8.76 H new ATOM 0 HG3 PRO A 117 12.681 46.640 39.693 1.00 8.76 H new ATOM 0 HD2 PRO A 117 15.141 47.743 40.609 1.00 6.14 H new ATOM 0 HD3 PRO A 117 13.810 48.522 40.380 1.00 6.14 H new ATOM 897 N VAL A 118 13.995 44.694 44.371 1.00 5.18 N ATOM 898 CA VAL A 118 14.754 44.002 45.348 1.00 10.64 C ATOM 899 C VAL A 118 14.421 42.504 45.348 1.00 12.91 C ATOM 900 O VAL A 118 15.184 41.812 46.016 1.00 15.27 O ATOM 901 CB VAL A 118 14.599 44.617 46.736 1.00 6.40 C ATOM 902 CG1 VAL A 118 15.130 46.078 46.685 1.00 8.46 C ATOM 903 CG2 VAL A 118 13.170 44.540 47.250 1.00 9.26 C ATOM 0 H VAL A 118 13.150 44.582 44.487 1.00 5.18 H new ATOM 0 HA VAL A 118 15.689 44.095 45.107 1.00 10.64 H new ATOM 0 HB VAL A 118 15.122 44.105 47.373 1.00 6.40 H new ATOM 0 HG11 VAL A 118 15.039 46.486 47.560 1.00 8.46 H new ATOM 0 HG12 VAL A 118 16.065 46.074 46.426 1.00 8.46 H new ATOM 0 HG13 VAL A 118 14.617 46.586 46.037 1.00 8.46 H new ATOM 0 HG21 VAL A 118 13.121 44.942 48.132 1.00 9.26 H new ATOM 0 HG22 VAL A 118 12.582 45.018 46.644 1.00 9.26 H new ATOM 0 HG23 VAL A 118 12.894 43.611 47.302 1.00 9.26 H new ATOM 904 N HIS A 119 13.309 42.158 44.731 1.00 4.77 N ATOM 905 CA HIS A 119 12.960 40.697 44.782 1.00 5.98 C ATOM 906 C HIS A 119 12.220 40.313 43.548 1.00 6.73 C ATOM 907 O HIS A 119 11.347 41.043 43.137 1.00 8.59 O ATOM 908 CB HIS A 119 12.096 40.505 46.016 1.00 12.79 C ATOM 909 CG HIS A 119 11.248 39.314 46.119 1.00 17.32 C ATOM 910 ND1 HIS A 119 11.788 38.084 46.428 1.00 27.45 N ATOM 911 CD2 HIS A 119 9.904 39.160 45.862 1.00 25.52 C ATOM 912 CE1 HIS A 119 10.775 37.239 46.376 1.00 33.68 C ATOM 913 NE2 HIS A 119 9.614 37.854 46.016 1.00 33.57 N ATOM 0 H HIS A 119 12.769 42.677 44.307 1.00 4.77 H new ATOM 0 HA HIS A 119 13.752 40.139 44.829 1.00 5.98 H new ATOM 0 HB2 HIS A 119 12.684 40.512 46.788 1.00 12.79 H new ATOM 0 HB3 HIS A 119 11.519 41.281 46.092 1.00 12.79 H new ATOM 0 HD2 HIS A 119 9.307 39.833 45.626 1.00 25.52 H new ATOM 0 HE1 HIS A 119 10.846 36.331 46.563 1.00 33.68 H new ATOM 0 HE2 HIS A 119 8.846 37.481 45.908 1.00 33.57 H new ATOM 914 N PHE A 120 12.589 39.160 43.034 1.00 8.23 N ATOM 915 CA PHE A 120 11.863 38.622 41.852 1.00 11.32 C ATOM 916 C PHE A 120 10.781 37.700 42.417 1.00 6.66 C ATOM 917 O PHE A 120 11.137 36.701 43.034 1.00 10.39 O ATOM 918 CB PHE A 120 12.889 37.815 40.978 1.00 7.19 C ATOM 919 CG PHE A 120 12.225 37.392 39.692 1.00 11.30 C ATOM 920 CD1 PHE A 120 11.409 36.278 39.589 1.00 10.96 C ATOM 921 CD2 PHE A 120 12.451 38.238 38.561 1.00 17.64 C ATOM 922 CE1 PHE A 120 10.819 35.932 38.355 1.00 8.61 C ATOM 923 CE2 PHE A 120 11.846 37.930 37.379 1.00 15.56 C ATOM 924 CZ PHE A 120 11.030 36.778 37.276 1.00 8.56 C ATOM 0 H PHE A 120 13.233 38.671 43.327 1.00 8.23 H new ATOM 0 HA PHE A 120 11.467 39.312 41.297 1.00 11.32 H new ATOM 0 HB2 PHE A 120 13.667 38.361 40.788 1.00 7.19 H new ATOM 0 HB3 PHE A 120 13.201 37.036 41.464 1.00 7.19 H new ATOM 0 HD1 PHE A 120 11.248 35.753 40.340 1.00 10.96 H new ATOM 0 HD2 PHE A 120 13.001 38.985 38.631 1.00 17.64 H new ATOM 0 HE1 PHE A 120 10.305 35.162 38.268 1.00 8.61 H new ATOM 0 HE2 PHE A 120 11.970 38.478 36.638 1.00 15.56 H new ATOM 0 HZ PHE A 120 10.624 36.583 36.462 1.00 8.56 H new ATOM 925 N ASP A 121 9.543 38.084 42.212 1.00 4.75 N ATOM 926 CA ASP A 121 8.400 37.316 42.777 1.00 3.83 C ATOM 927 C ASP A 121 7.898 36.239 41.852 1.00 15.65 C ATOM 928 O ASP A 121 7.589 35.087 42.366 1.00 15.08 O ATOM 929 CB ASP A 121 7.291 38.315 43.137 1.00 6.87 C ATOM 930 CG ASP A 121 6.384 37.700 44.217 1.00 21.24 C ATOM 931 OD1 ASP A 121 6.945 37.200 45.245 1.00 18.79 O ATOM 932 OD2 ASP A 121 5.176 37.700 44.011 1.00 8.92 O ATOM 0 H ASP A 121 9.320 38.778 41.755 1.00 4.75 H new ATOM 0 HA ASP A 121 8.700 36.845 43.570 1.00 3.83 H new ATOM 0 HB2 ASP A 121 7.680 39.143 43.459 1.00 6.87 H new ATOM 0 HB3 ASP A 121 6.770 38.534 42.349 1.00 6.87 H new ATOM 933 N ALA A 122 7.748 36.470 40.566 1.00 11.51 N ATOM 934 CA ALA A 122 7.169 35.471 39.692 1.00 8.09 C ATOM 935 C ALA A 122 7.188 35.970 38.253 1.00 9.74 C ATOM 936 O ALA A 122 7.419 37.162 37.996 1.00 10.21 O ATOM 937 CB ALA A 122 5.635 35.394 40.155 1.00 11.46 C ATOM 0 H ALA A 122 7.975 37.202 40.175 1.00 11.51 H new ATOM 0 HA ALA A 122 7.643 34.626 39.738 1.00 8.09 H new ATOM 0 HB1 ALA A 122 5.166 34.739 39.614 1.00 11.46 H new ATOM 0 HB2 ALA A 122 5.591 35.133 41.088 1.00 11.46 H new ATOM 0 HB3 ALA A 122 5.219 36.263 40.043 1.00 11.46 H new ATOM 938 N SER A 123 6.882 35.087 37.379 1.00 13.99 N ATOM 939 CA SER A 123 6.826 35.394 35.888 1.00 9.04 C ATOM 940 C SER A 123 5.393 34.933 35.528 1.00 18.26 C ATOM 941 O SER A 123 4.946 33.857 36.093 1.00 20.52 O ATOM 942 CB SER A 123 7.956 34.894 35.065 1.00 11.00 C ATOM 943 OG SER A 123 7.913 33.473 34.911 1.00 14.88 O ATOM 0 H SER A 123 6.690 34.272 37.575 1.00 13.99 H new ATOM 0 HA SER A 123 6.969 36.329 35.673 1.00 9.04 H new ATOM 0 HB2 SER A 123 7.931 35.315 34.191 1.00 11.00 H new ATOM 0 HB3 SER A 123 8.795 35.149 35.479 1.00 11.00 H new ATOM 0 HG SER A 123 8.530 33.228 34.396 1.00 14.88 H new ATOM 944 N VAL A 124 4.691 35.663 34.756 1.00 13.15 N ATOM 945 CA VAL A 124 3.288 35.279 34.397 1.00 14.30 C ATOM 946 C VAL A 124 3.051 35.509 32.906 1.00 14.86 C ATOM 947 O VAL A 124 2.255 34.664 32.443 1.00 26.08 O ATOM 948 CB VAL A 124 2.293 36.047 35.271 1.00 17.54 C ATOM 949 CG1 VAL A 124 2.244 35.509 36.710 1.00 14.75 C ATOM 950 CG2 VAL A 124 2.475 37.585 35.271 1.00 18.57 C ATOM 951 OXT VAL A 124 3.906 36.124 32.289 1.00 17.67 O ATOM 0 H VAL A 124 4.965 36.398 34.402 1.00 13.15 H new ATOM 0 HA VAL A 124 3.151 34.334 34.569 1.00 14.30 H new ATOM 0 HB VAL A 124 1.437 35.882 34.846 1.00 17.54 H new ATOM 0 HG11 VAL A 124 1.603 36.023 37.226 1.00 14.75 H new ATOM 0 HG12 VAL A 124 1.976 34.577 36.698 1.00 14.75 H new ATOM 0 HG13 VAL A 124 3.122 35.587 37.115 1.00 14.75 H new ATOM 0 HG21 VAL A 124 1.808 37.990 35.847 1.00 18.57 H new ATOM 0 HG22 VAL A 124 3.361 37.806 35.598 1.00 18.57 H new ATOM 0 HG23 VAL A 124 2.371 37.923 34.368 1.00 18.57 H new TER 952 VAL A 124 CONECT 194 642 CONECT 310 727 CONECT 446 842 CONECT 496 547 CONECT 547 496 CONECT 642 194 CONECT 727 310 CONECT 842 446 END