USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE (NUCLEIC ACID,RNA) 13-AUG-91 3RAT 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 3RAT 1 VERSN REVDAT 2 01-APR-03 3RAT 1 JRNL REVDAT 1 15-JUL-93 3RAT 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 : 15873 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) : 0.149 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) : 0.019 ; 0.030 REMARK 3 ANGLE DISTANCE (A) : 0.033 ; 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) : 0.017 ; 0.025 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.163 ; 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) : 3.300 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 13.300; 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 3RAT 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 (%): 40.91 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 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 19.04000 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 SER A 77 CB SER A 77 OG 0.110 REMARK 500 SER A 89 CB SER A 89 OG 0.083 REMARK 500 GLU A 111 CD GLU A 111 OE1 0.090 REMARK 500 HIS A 119 CG HIS A 119 CD2 0.096 REMARK 500 HIS A 119 NE2 HIS A 119 CD2 -0.068 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 NH1 - CZ - NH2 ANGL. DEV. = -7.7 DEGREES REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 6.0 DEGREES REMARK 500 ASP A 14 CB - CG - OD2 ANGL. DEV. = -7.4 DEGREES REMARK 500 TYR A 25 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES REMARK 500 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ASP A 38 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ARG A 39 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 ASP A 53 CB - CG - OD1 ANGL. DEV. = 6.2 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 TYR A 97 CB - CG - CD1 ANGL. DEV. = -5.8 DEGREES REMARK 500 VAL A 118 N - CA - CB ANGL. DEV. = -17.2 DEGREES REMARK 500 PHE A 120 CB - CG - CD2 ANGL. DEV. = -6.6 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 -143.20 -99.58 REMARK 500 ASN A 71 36.33 -99.58 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 85 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 3RAT 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 N THR A 82 O 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 N VAL A 108 O 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 2.06 SSBOND *** CYS A 40 CYS A 95 1555 1555 2.10 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.05 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.04 CISPEP 1 TYR A 92 PRO A 93 0 -1.98 CISPEP 2 ASN A 113 PRO A 114 0 6.37 CRYST1 29.510 38.080 52.930 90.00 106.32 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 0.033887 0.000000 0.009922 0.00000 SCALE2 0.000000 0.026261 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019686 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 78 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.035) USER MOD Set 2.1: A 17 THR OG1 : rot 61:sc= 0.165 USER MOD Set 2.2: A 25 TYR OH : rot 1:sc= 1.29 USER MOD Set 2.3: A 29 MET CE :methyl -150:sc= -0.185 (180deg=-1.26) USER MOD Set 2.4: A 48 HIS : no HD1:sc= 1.83 K(o=7.3,f=-8!) USER MOD Set 2.5: A 80 SER OG : rot -176:sc= 1.69 USER MOD Set 2.6: A 82 THR OG1 : rot -39:sc= 1.67 USER MOD Set 2.7: A 101 GLN : amide:sc= 0.833 K(o=7.3,f=1.3!) USER MOD Set 3.1: A 98 LYS NZ :NH3+ 144:sc= 0.436 (180deg=0.106) USER MOD Set 3.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 73 TYR OH : rot 24:sc= 0.711 USER MOD Set 4.2: A 115 TYR OH : rot 30:sc= 0.635 USER MOD Set 5.1: A 67 ASN : amide:sc= -0.875 K(o=1.4,f=-6.3!) USER MOD Set 5.2: A 69 GLN : amide:sc= 0.365 K(o=1.4,f=-0.76) USER MOD Set 5.3: A 71 ASN : amide:sc= 1.95 K(o=1.4,f=-4.7!) USER MOD Set 6.1: A 30 MET CE :methyl 156:sc= -0.115 (180deg=-0.659) USER MOD Set 6.2: A 97 TYR OH : rot 174:sc= 1.25 USER MOD Set 7.1: A 24 ASN : amide:sc= -0.394 K(o=0.15,f=-2.2!) USER MOD Set 7.2: A 27 ASN : amide:sc= 0.548 K(o=0.15,f=-7!) USER MOD Set 8.1: A 13 MET CE :methyl -139:sc= -0.347 (180deg=-2.53!) USER MOD Set 8.2: A 15 SER OG : rot -46:sc= 1.31 USER MOD Set 9.1: A 12 HIS : no HE2:sc= 1.14 K(o=3.8,f=-1.1!) USER MOD Set 9.2: A 41 LYS NZ :NH3+ -121:sc= 1.08 (180deg=0) USER MOD Set 9.3: A 44 ASN : amide:sc= 1.54 K(o=3.8,f=-14!) USER MOD Single : A 1 LYS N :NH3+ -111:sc= 0.167 (180deg=-0.0109) USER MOD Single : A 1 LYS NZ :NH3+ -108:sc= -6.85! (180deg=-9.83!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.405 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.24! K(o=-2.2!,f=-1.4) USER MOD Single : A 16 SER OG : rot -72:sc= 1.31 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.11) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -1 (180deg=-3.23!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0424) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.119 USER MOD Single : A 55 GLN : amide:sc= -0.528 K(o=-0.53,f=-2.3!) USER MOD Single : A 59 SER OG : rot -19:sc= 0.0759 USER MOD Single : A 60 GLN : amide:sc=-0.00798 K(o=-0.008,f=-3.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.645 K(o=0.64,f=-0.014) 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= -0.0227 K(o=-0.023,f=-0.81) USER MOD Single : A 75 SER OG : rot 104:sc= 1.32 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 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 -129:sc= 1.58 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot -173:sc= 1.2 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 99 THR OG1 : rot 122:sc= 0.465 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.637 K(o=-0.64,f=-0.024) USER MOD Single : A 113 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.34) USER MOD Single : A 119 HIS : no HD1:sc= 1.27 K(o=1.3,f=-4.2!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.715 45.125 53.490 1.00 9.81 N ATOM 2 CA LYS A 1 26.466 43.868 52.728 1.00 8.45 C ATOM 3 C LYS A 1 25.687 44.287 51.458 1.00 8.35 C ATOM 4 O LYS A 1 25.141 45.391 51.407 1.00 9.03 O ATOM 5 CB LYS A 1 25.756 42.840 53.439 1.00 14.07 C ATOM 6 CG LYS A 1 24.323 43.259 53.896 1.00 21.74 C ATOM 7 CD LYS A 1 23.702 42.116 54.709 1.00 31.93 C ATOM 8 CE LYS A 1 24.704 41.088 55.217 1.00 35.95 C ATOM 9 NZ LYS A 1 25.913 41.774 55.725 1.00 42.01 N ATOM 0 H1 LYS A 1 27.584 45.316 53.472 1.00 9.81 H new ATOM 0 H2 LYS A 1 26.257 45.792 53.120 1.00 9.81 H new ATOM 0 H3 LYS A 1 26.453 45.018 54.334 1.00 9.81 H new ATOM 0 HA LYS A 1 27.323 43.456 52.537 1.00 8.45 H new ATOM 0 HB2 LYS A 1 25.689 42.055 52.873 1.00 14.07 H new ATOM 0 HB3 LYS A 1 26.272 42.583 54.219 1.00 14.07 H new ATOM 0 HG2 LYS A 1 24.365 44.066 54.432 1.00 21.74 H new ATOM 0 HG3 LYS A 1 23.771 43.459 53.124 1.00 21.74 H new ATOM 0 HD2 LYS A 1 23.229 42.493 55.468 1.00 31.93 H new ATOM 0 HD3 LYS A 1 23.042 41.664 54.160 1.00 31.93 H new ATOM 0 HE2 LYS A 1 24.304 40.555 55.922 1.00 35.95 H new ATOM 0 HE3 LYS A 1 24.944 40.478 54.502 1.00 35.95 H new ATOM 0 HZ1 LYS A 1 26.588 41.643 55.160 1.00 42.01 H new ATOM 0 HZ2 LYS A 1 25.752 42.646 55.796 1.00 42.01 H new ATOM 0 HZ3 LYS A 1 26.127 41.446 56.524 1.00 42.01 H new ATOM 10 N GLU A 2 25.689 43.297 50.543 1.00 4.61 N ATOM 11 CA GLU A 2 24.998 43.602 49.273 1.00 4.37 C ATOM 12 C GLU A 2 23.567 44.059 49.426 1.00 3.69 C ATOM 13 O GLU A 2 22.842 43.487 50.188 1.00 5.29 O ATOM 14 CB GLU A 2 25.074 42.269 48.511 1.00 2.02 C ATOM 15 CG GLU A 2 24.531 42.307 47.038 1.00 1.83 C ATOM 16 CD GLU A 2 24.547 40.974 46.378 1.00 4.65 C ATOM 17 OE1 GLU A 2 24.384 39.946 47.038 1.00 6.66 O ATOM 18 OE2 GLU A 2 24.683 40.936 45.108 1.00 5.05 O ATOM 0 H GLU A 2 26.046 42.518 50.622 1.00 4.61 H new ATOM 0 HA GLU A 2 25.417 44.351 48.821 1.00 4.37 H new ATOM 0 HB2 GLU A 2 25.999 41.976 48.492 1.00 2.02 H new ATOM 0 HB3 GLU A 2 24.575 41.601 49.007 1.00 2.02 H new ATOM 0 HG2 GLU A 2 23.623 42.649 47.042 1.00 1.83 H new ATOM 0 HG3 GLU A 2 25.066 42.927 46.517 1.00 1.83 H new ATOM 19 N THR A 3 23.126 45.087 48.715 1.00 2.96 N ATOM 20 CA THR A 3 21.753 45.582 48.765 1.00 4.33 C ATOM 21 C THR A 3 20.840 44.592 48.054 1.00 2.12 C ATOM 22 O THR A 3 21.285 43.754 47.241 1.00 3.63 O ATOM 23 CB THR A 3 21.651 47.029 48.207 1.00 3.78 C ATOM 24 OG1 THR A 3 21.891 46.838 46.784 1.00 3.92 O ATOM 25 CG2 THR A 3 22.668 48.019 48.664 1.00 4.80 C ATOM 0 H THR A 3 23.628 45.529 48.175 1.00 2.96 H new ATOM 0 HA THR A 3 21.458 45.644 49.687 1.00 4.33 H new ATOM 0 HB THR A 3 20.803 47.399 48.497 1.00 3.78 H new ATOM 0 HG1 THR A 3 21.853 47.580 46.391 1.00 3.92 H new ATOM 0 HG21 THR A 3 22.495 48.877 48.246 1.00 4.80 H new ATOM 0 HG22 THR A 3 22.618 48.113 49.628 1.00 4.80 H new ATOM 0 HG23 THR A 3 23.554 47.712 48.415 1.00 4.80 H new ATOM 26 N ALA A 4 19.556 44.668 48.410 1.00 2.60 N ATOM 27 CA ALA A 4 18.539 43.792 47.749 1.00 2.56 C ATOM 28 C ALA A 4 18.469 44.211 46.276 1.00 3.68 C ATOM 29 O ALA A 4 18.353 43.259 45.464 1.00 4.80 O ATOM 30 CB ALA A 4 17.180 43.906 48.461 1.00 5.25 C ATOM 0 H ALA A 4 19.245 45.198 49.012 1.00 2.60 H new ATOM 0 HA ALA A 4 18.789 42.856 47.805 1.00 2.56 H new ATOM 0 HB1 ALA A 4 16.534 43.332 48.020 1.00 5.25 H new ATOM 0 HB2 ALA A 4 17.275 43.632 49.387 1.00 5.25 H new ATOM 0 HB3 ALA A 4 16.872 44.825 48.426 1.00 5.25 H new ATOM 31 N ALA A 5 18.602 45.429 45.921 1.00 3.43 N ATOM 32 CA ALA A 5 18.606 45.848 44.498 1.00 2.92 C ATOM 33 C ALA A 5 19.847 45.239 43.787 1.00 2.69 C ATOM 34 O ALA A 5 19.702 44.668 42.670 1.00 3.51 O ATOM 35 CB ALA A 5 18.547 47.372 44.397 1.00 1.41 C ATOM 0 H ALA A 5 18.697 46.078 46.477 1.00 3.43 H new ATOM 0 HA ALA A 5 17.817 45.512 44.044 1.00 2.92 H new ATOM 0 HB1 ALA A 5 18.550 47.635 43.463 1.00 1.41 H new ATOM 0 HB2 ALA A 5 17.736 47.693 44.820 1.00 1.41 H new ATOM 0 HB3 ALA A 5 19.318 47.756 44.843 1.00 1.41 H new ATOM 36 N ALA A 6 21.070 45.277 44.448 1.00 4.71 N ATOM 37 CA ALA A 6 22.222 44.668 43.736 1.00 4.43 C ATOM 38 C ALA A 6 22.016 43.183 43.635 1.00 2.44 C ATOM 39 O ALA A 6 22.402 42.573 42.619 1.00 3.50 O ATOM 40 CB ALA A 6 23.475 45.011 44.600 1.00 2.55 C ATOM 0 H ALA A 6 21.225 45.616 45.223 1.00 4.71 H new ATOM 0 HA ALA A 6 22.325 45.003 42.832 1.00 4.43 H new ATOM 0 HB1 ALA A 6 24.267 44.637 44.184 1.00 2.55 H new ATOM 0 HB2 ALA A 6 23.569 45.974 44.666 1.00 2.55 H new ATOM 0 HB3 ALA A 6 23.369 44.635 45.488 1.00 2.55 H new ATOM 41 N LYS A 7 21.482 42.535 44.651 1.00 2.85 N ATOM 42 CA LYS A 7 21.246 41.088 44.651 1.00 2.58 C ATOM 43 C LYS A 7 20.290 40.746 43.482 1.00 2.96 C ATOM 44 O LYS A 7 20.542 39.756 42.822 1.00 2.68 O ATOM 45 CB LYS A 7 20.683 40.555 45.972 1.00 1.47 C ATOM 46 CG LYS A 7 20.624 39.070 45.972 1.00 5.28 C ATOM 47 CD LYS A 7 20.458 38.537 47.445 1.00 5.80 C ATOM 48 CE LYS A 7 20.252 36.976 47.241 1.00 14.45 C ATOM 49 NZ LYS A 7 19.865 36.366 48.562 1.00 18.82 N ATOM 0 H LYS A 7 21.238 42.923 45.379 1.00 2.85 H new ATOM 0 HA LYS A 7 22.105 40.652 44.539 1.00 2.58 H new ATOM 0 HB2 LYS A 7 21.236 40.859 46.708 1.00 1.47 H new ATOM 0 HB3 LYS A 7 19.795 40.916 46.117 1.00 1.47 H new ATOM 0 HG2 LYS A 7 19.882 38.768 45.425 1.00 5.28 H new ATOM 0 HG3 LYS A 7 21.432 38.707 45.578 1.00 5.28 H new ATOM 0 HD2 LYS A 7 21.240 38.728 47.986 1.00 5.80 H new ATOM 0 HD3 LYS A 7 19.699 38.944 47.890 1.00 5.80 H new ATOM 0 HE2 LYS A 7 19.562 36.811 46.579 1.00 14.45 H new ATOM 0 HE3 LYS A 7 21.067 36.569 46.908 1.00 14.45 H new ATOM 0 HZ1 LYS A 7 19.746 35.490 48.461 1.00 18.82 H new ATOM 0 HZ2 LYS A 7 20.511 36.511 49.157 1.00 18.82 H new ATOM 0 HZ3 LYS A 7 19.109 36.736 48.850 1.00 18.82 H new ATOM 50 N PHE A 8 19.272 41.545 43.330 1.00 4.25 N ATOM 51 CA PHE A 8 18.301 41.279 42.213 1.00 1.94 C ATOM 52 C PHE A 8 19.042 41.279 40.892 1.00 2.83 C ATOM 53 O PHE A 8 18.956 40.441 39.977 1.00 2.16 O ATOM 54 CB PHE A 8 17.135 42.269 42.263 1.00 4.06 C ATOM 55 CG PHE A 8 16.223 42.078 41.044 1.00 0.86 C ATOM 56 CD1 PHE A 8 16.536 42.726 39.876 1.00 4.61 C ATOM 57 CD2 PHE A 8 15.087 41.279 41.197 1.00 3.24 C ATOM 58 CE1 PHE A 8 15.683 42.535 38.758 1.00 6.63 C ATOM 59 CE2 PHE A 8 14.249 41.088 40.028 1.00 4.77 C ATOM 60 CZ PHE A 8 14.517 41.736 38.809 1.00 4.46 C ATOM 0 H PHE A 8 19.098 42.229 43.821 1.00 4.25 H new ATOM 0 HA PHE A 8 17.903 40.400 42.316 1.00 1.94 H new ATOM 0 HB2 PHE A 8 16.627 42.139 43.079 1.00 4.06 H new ATOM 0 HB3 PHE A 8 17.474 43.178 42.282 1.00 4.06 H new ATOM 0 HD1 PHE A 8 17.285 43.274 39.819 1.00 4.61 H new ATOM 0 HD2 PHE A 8 14.877 40.886 42.013 1.00 3.24 H new ATOM 0 HE1 PHE A 8 15.900 42.954 37.956 1.00 6.63 H new ATOM 0 HE2 PHE A 8 13.514 40.521 40.086 1.00 4.77 H new ATOM 0 HZ PHE A 8 13.956 41.644 38.073 1.00 4.46 H new ATOM 61 N GLU A 9 19.928 42.345 40.689 1.00 4.33 N ATOM 62 CA GLU A 9 20.654 42.383 39.419 1.00 2.59 C ATOM 63 C GLU A 9 21.569 41.164 39.216 1.00 3.82 C ATOM 64 O GLU A 9 21.601 40.593 38.098 1.00 2.24 O ATOM 65 CB GLU A 9 21.628 43.564 39.216 1.00 3.08 C ATOM 66 CG GLU A 9 20.758 44.858 39.165 1.00 1.81 C ATOM 67 CD GLU A 9 21.570 46.077 38.809 1.00 7.64 C ATOM 68 OE1 GLU A 9 22.487 45.924 37.895 1.00 7.17 O ATOM 69 OE2 GLU A 9 21.259 47.143 39.368 1.00 5.06 O ATOM 0 H GLU A 9 20.088 42.984 41.242 1.00 4.33 H new ATOM 0 HA GLU A 9 19.908 42.438 38.801 1.00 2.59 H new ATOM 0 HB2 GLU A 9 22.271 43.609 39.941 1.00 3.08 H new ATOM 0 HB3 GLU A 9 22.134 43.456 38.395 1.00 3.08 H new ATOM 0 HG2 GLU A 9 20.048 44.743 38.514 1.00 1.81 H new ATOM 0 HG3 GLU A 9 20.334 44.994 40.026 1.00 1.81 H new ATOM 70 N ARG A 10 22.260 40.784 40.282 1.00 2.30 N ATOM 71 CA ARG A 10 23.175 39.603 40.181 1.00 4.65 C ATOM 72 C ARG A 10 22.408 38.308 39.977 1.00 2.87 C ATOM 73 O ARG A 10 22.897 37.433 39.216 1.00 3.20 O ATOM 74 CB ARG A 10 24.028 39.489 41.501 1.00 3.18 C ATOM 75 CG ARG A 10 25.031 38.385 41.501 1.00 0.88 C ATOM 76 CD ARG A 10 25.958 38.385 42.670 1.00 2.85 C ATOM 77 NE ARG A 10 25.232 38.385 43.940 1.00 6.01 N ATOM 78 CZ ARG A 10 24.729 37.318 44.549 1.00 8.95 C ATOM 79 NH1 ARG A 10 24.774 36.024 44.092 1.00 7.81 N ATOM 80 NH2 ARG A 10 24.165 37.395 45.768 1.00 3.84 N ATOM 0 H ARG A 10 22.231 41.165 41.052 1.00 2.30 H new ATOM 0 HA ARG A 10 23.749 39.739 39.411 1.00 4.65 H new ATOM 0 HB2 ARG A 10 24.490 40.329 41.647 1.00 3.18 H new ATOM 0 HB3 ARG A 10 23.426 39.363 42.251 1.00 3.18 H new ATOM 0 HG2 ARG A 10 24.561 37.537 41.477 1.00 0.88 H new ATOM 0 HG3 ARG A 10 25.556 38.441 40.687 1.00 0.88 H new ATOM 0 HD2 ARG A 10 26.533 37.605 42.626 1.00 2.85 H new ATOM 0 HD3 ARG A 10 26.533 39.165 42.626 1.00 2.85 H new ATOM 0 HE ARG A 10 25.121 39.145 44.327 1.00 6.01 H new ATOM 0 HH11 ARG A 10 25.156 35.846 43.343 1.00 7.81 H new ATOM 0 HH12 ARG A 10 24.420 35.392 44.555 1.00 7.81 H new ATOM 0 HH21 ARG A 10 24.123 38.151 46.175 1.00 3.84 H new ATOM 0 HH22 ARG A 10 23.847 36.688 46.140 1.00 3.84 H new ATOM 81 N GLN A 11 21.271 38.156 40.638 1.00 3.01 N ATOM 82 CA GLN A 11 20.607 36.861 40.485 1.00 4.58 C ATOM 83 C GLN A 11 19.754 36.747 39.266 1.00 4.60 C ATOM 84 O GLN A 11 19.519 35.643 38.758 1.00 6.20 O ATOM 85 CB GLN A 11 19.719 36.595 41.705 1.00 5.28 C ATOM 86 CG GLN A 11 20.453 36.481 43.025 1.00 6.27 C ATOM 87 CD GLN A 11 19.580 35.871 44.092 1.00 8.57 C ATOM 88 OE1 GLN A 11 18.488 36.404 44.397 1.00 11.08 O ATOM 89 NE2 GLN A 11 20.081 34.805 44.702 1.00 13.45 N ATOM 0 H GLN A 11 20.887 38.736 41.144 1.00 3.01 H new ATOM 0 HA GLN A 11 21.321 36.211 40.399 1.00 4.58 H new ATOM 0 HB2 GLN A 11 19.067 37.310 41.775 1.00 5.28 H new ATOM 0 HB3 GLN A 11 19.225 35.774 41.554 1.00 5.28 H new ATOM 0 HG2 GLN A 11 21.249 35.939 42.908 1.00 6.27 H new ATOM 0 HG3 GLN A 11 20.747 37.360 43.310 1.00 6.27 H new ATOM 0 HE21 GLN A 11 20.837 34.481 44.450 1.00 13.45 H new ATOM 0 HE22 GLN A 11 19.650 34.438 45.349 1.00 13.45 H new ATOM 90 N HIS A 12 19.180 37.890 38.809 1.00 2.89 N ATOM 91 CA HIS A 12 18.120 37.852 37.793 1.00 2.06 C ATOM 92 C HIS A 12 18.285 38.575 36.523 1.00 6.05 C ATOM 93 O HIS A 12 17.461 38.385 35.609 1.00 5.58 O ATOM 94 CB HIS A 12 16.805 38.385 38.454 1.00 3.69 C ATOM 95 CG HIS A 12 16.330 37.433 39.571 1.00 2.08 C ATOM 96 ND1 HIS A 12 16.021 36.176 39.419 1.00 4.38 N ATOM 97 CD2 HIS A 12 16.327 37.737 40.892 1.00 2.13 C ATOM 98 CE1 HIS A 12 15.723 35.605 40.536 1.00 3.40 C ATOM 99 NE2 HIS A 12 15.912 36.595 41.501 1.00 4.99 N ATOM 0 H HIS A 12 19.393 38.679 39.076 1.00 2.89 H new ATOM 0 HA HIS A 12 18.127 36.921 37.521 1.00 2.06 H new ATOM 0 HB2 HIS A 12 16.958 39.270 38.821 1.00 3.69 H new ATOM 0 HB3 HIS A 12 16.112 38.472 37.781 1.00 3.69 H new ATOM 0 HD1 HIS A 12 16.016 35.773 38.659 1.00 4.38 H new ATOM 0 HD2 HIS A 12 16.557 38.545 41.291 1.00 2.13 H new ATOM 0 HE1 HIS A 12 15.444 34.728 40.669 1.00 3.40 H new ATOM 100 N MET A 13 19.259 39.451 36.422 1.00 2.52 N ATOM 101 CA MET A 13 19.380 40.212 35.101 1.00 3.31 C ATOM 102 C MET A 13 20.459 39.603 34.237 1.00 3.42 C ATOM 103 O MET A 13 21.550 39.260 34.644 1.00 2.64 O ATOM 104 CB MET A 13 19.837 41.698 35.355 1.00 3.49 C ATOM 105 CG MET A 13 18.788 42.573 35.914 1.00 3.24 C ATOM 106 SD MET A 13 17.315 42.612 34.898 1.00 3.96 S ATOM 107 CE MET A 13 17.879 43.373 33.374 1.00 7.35 C ATOM 0 H MET A 13 19.838 39.640 37.029 1.00 2.52 H new ATOM 0 HA MET A 13 18.510 40.172 34.675 1.00 3.31 H new ATOM 0 HB2 MET A 13 20.595 41.692 35.961 1.00 3.49 H new ATOM 0 HB3 MET A 13 20.146 42.077 34.517 1.00 3.49 H new ATOM 0 HG2 MET A 13 18.555 42.266 36.804 1.00 3.24 H new ATOM 0 HG3 MET A 13 19.137 43.473 36.007 1.00 3.24 H new ATOM 0 HE1 MET A 13 17.208 43.997 33.056 1.00 7.35 H new ATOM 0 HE2 MET A 13 18.709 43.847 33.537 1.00 7.35 H new ATOM 0 HE3 MET A 13 18.025 42.687 32.704 1.00 7.35 H new ATOM 108 N ASP A 14 20.197 39.451 32.917 1.00 2.86 N ATOM 109 CA ASP A 14 21.246 39.108 31.952 1.00 3.06 C ATOM 110 C ASP A 14 21.073 39.946 30.631 1.00 4.94 C ATOM 111 O ASP A 14 20.529 39.489 29.666 1.00 5.24 O ATOM 112 CB ASP A 14 21.410 37.623 31.596 1.00 4.74 C ATOM 113 CG ASP A 14 22.578 37.433 30.631 1.00 9.81 C ATOM 114 OD1 ASP A 14 23.419 38.270 30.478 1.00 6.30 O ATOM 115 OD2 ASP A 14 22.535 36.252 30.072 1.00 5.93 O ATOM 0 H ASP A 14 19.415 39.544 32.571 1.00 2.86 H new ATOM 0 HA ASP A 14 22.064 39.336 32.422 1.00 3.06 H new ATOM 0 HB2 ASP A 14 21.562 37.106 32.402 1.00 4.74 H new ATOM 0 HB3 ASP A 14 20.593 37.289 31.194 1.00 4.74 H new ATOM 116 N SER A 15 21.426 41.203 30.732 1.00 2.06 N ATOM 117 CA SER A 15 21.311 42.193 29.615 1.00 1.35 C ATOM 118 C SER A 15 22.302 41.812 28.548 1.00 3.93 C ATOM 119 O SER A 15 22.290 42.421 27.481 1.00 5.19 O ATOM 120 CB SER A 15 21.487 43.602 30.224 1.00 2.72 C ATOM 121 OG SER A 15 20.540 43.868 31.240 1.00 3.37 O ATOM 0 H SER A 15 21.749 41.540 31.454 1.00 2.06 H new ATOM 0 HA SER A 15 20.446 42.196 29.176 1.00 1.35 H new ATOM 0 HB2 SER A 15 22.382 43.685 30.589 1.00 2.72 H new ATOM 0 HB3 SER A 15 21.403 44.268 29.524 1.00 2.72 H new ATOM 0 HG SER A 15 19.776 43.638 30.978 1.00 3.37 H new ATOM 122 N SER A 16 23.290 40.974 28.802 1.00 2.57 N ATOM 123 CA SER A 16 24.355 40.631 27.888 1.00 3.46 C ATOM 124 C SER A 16 24.092 39.603 26.770 1.00 3.21 C ATOM 125 O SER A 16 24.964 39.413 25.907 1.00 5.68 O ATOM 126 CB SER A 16 25.592 40.212 28.700 1.00 3.50 C ATOM 127 OG SER A 16 25.474 38.804 28.904 1.00 4.71 O ATOM 0 H SER A 16 23.359 40.568 29.557 1.00 2.57 H new ATOM 0 HA SER A 16 24.476 41.449 27.381 1.00 3.46 H new ATOM 0 HB2 SER A 16 26.409 40.426 28.223 1.00 3.50 H new ATOM 0 HB3 SER A 16 25.627 40.683 29.547 1.00 3.50 H new ATOM 0 HG SER A 16 24.863 38.651 29.459 1.00 4.71 H new ATOM 128 N THR A 17 22.940 38.956 26.872 1.00 2.94 N ATOM 129 CA THR A 17 22.471 37.966 25.856 1.00 5.09 C ATOM 130 C THR A 17 21.010 38.194 25.602 1.00 5.22 C ATOM 131 O THR A 17 20.226 38.689 26.465 1.00 6.11 O ATOM 132 CB THR A 17 22.779 36.519 26.313 1.00 3.78 C ATOM 133 OG1 THR A 17 21.891 36.290 27.431 1.00 6.68 O ATOM 134 CG2 THR A 17 24.254 36.290 26.618 1.00 1.08 C ATOM 0 H THR A 17 22.394 39.066 27.527 1.00 2.94 H new ATOM 0 HA THR A 17 22.949 38.090 25.021 1.00 5.09 H new ATOM 0 HB THR A 17 22.618 35.870 25.610 1.00 3.78 H new ATOM 0 HG1 THR A 17 21.094 36.358 27.175 1.00 6.68 H new ATOM 0 HG21 THR A 17 24.388 35.371 26.898 1.00 1.08 H new ATOM 0 HG22 THR A 17 24.780 36.465 25.822 1.00 1.08 H new ATOM 0 HG23 THR A 17 24.534 36.888 27.328 1.00 1.08 H new ATOM 135 N SER A 18 20.571 37.890 24.383 1.00 5.64 N ATOM 136 CA SER A 18 19.170 38.118 24.027 1.00 4.30 C ATOM 137 C SER A 18 18.283 36.976 24.535 1.00 0.88 C ATOM 138 O SER A 18 17.029 37.052 24.687 1.00 4.17 O ATOM 139 CB SER A 18 19.026 38.232 22.503 1.00 5.52 C ATOM 140 OG SER A 18 19.396 36.938 21.944 1.00 6.00 O ATOM 0 H SER A 18 21.057 37.557 23.757 1.00 5.64 H new ATOM 0 HA SER A 18 18.885 38.945 24.445 1.00 4.30 H new ATOM 0 HB2 SER A 18 18.116 38.463 22.260 1.00 5.52 H new ATOM 0 HB3 SER A 18 19.599 38.933 22.155 1.00 5.52 H new ATOM 0 HG SER A 18 19.327 36.964 21.107 1.00 6.00 H new ATOM 141 N ALA A 19 18.962 35.795 24.738 1.00 5.51 N ATOM 142 CA ALA A 19 18.267 34.577 25.195 1.00 4.32 C ATOM 143 C ALA A 19 19.284 33.510 25.551 1.00 3.41 C ATOM 144 O ALA A 19 20.465 33.701 25.246 1.00 6.19 O ATOM 145 CB ALA A 19 17.325 34.082 24.078 1.00 5.90 C ATOM 0 H ALA A 19 19.808 35.698 24.614 1.00 5.51 H new ATOM 0 HA ALA A 19 17.741 34.774 25.986 1.00 4.32 H new ATOM 0 HB1 ALA A 19 16.865 33.281 24.374 1.00 5.90 H new ATOM 0 HB2 ALA A 19 16.674 34.771 23.874 1.00 5.90 H new ATOM 0 HB3 ALA A 19 17.843 33.882 23.283 1.00 5.90 H new ATOM 146 N ALA A 20 18.826 32.368 26.110 1.00 2.24 N ATOM 147 CA ALA A 20 19.784 31.264 26.364 1.00 5.43 C ATOM 148 C ALA A 20 20.274 30.692 24.992 1.00 4.32 C ATOM 149 O ALA A 20 19.405 30.312 24.230 1.00 8.20 O ATOM 150 CB ALA A 20 19.103 30.197 27.177 1.00 4.71 C ATOM 0 H ALA A 20 18.011 32.216 26.338 1.00 2.24 H new ATOM 0 HA ALA A 20 20.552 31.587 26.860 1.00 5.43 H new ATOM 0 HB1 ALA A 20 19.725 29.472 27.346 1.00 4.71 H new ATOM 0 HB2 ALA A 20 18.807 30.572 28.021 1.00 4.71 H new ATOM 0 HB3 ALA A 20 18.337 29.857 26.689 1.00 4.71 H new ATOM 151 N SER A 21 21.588 30.540 24.840 1.00 6.33 N ATOM 152 CA SER A 21 22.033 30.007 23.519 1.00 10.08 C ATOM 153 C SER A 21 22.314 28.484 23.468 1.00 7.83 C ATOM 154 O SER A 21 22.656 27.989 22.402 1.00 8.43 O ATOM 155 CB SER A 21 23.274 30.692 23.011 1.00 8.80 C ATOM 156 OG SER A 21 24.393 30.464 23.824 1.00 10.41 O ATOM 0 H SER A 21 22.199 30.716 25.419 1.00 6.33 H new ATOM 0 HA SER A 21 21.263 30.193 22.959 1.00 10.08 H new ATOM 0 HB2 SER A 21 23.464 30.382 22.112 1.00 8.80 H new ATOM 0 HB3 SER A 21 23.111 31.646 22.953 1.00 8.80 H new ATOM 0 HG SER A 21 25.059 30.862 23.502 1.00 10.41 H new ATOM 157 N SER A 22 22.208 27.875 24.637 1.00 4.32 N ATOM 158 CA SER A 22 22.429 26.389 24.687 1.00 5.32 C ATOM 159 C SER A 22 21.821 25.856 25.957 1.00 6.44 C ATOM 160 O SER A 22 21.494 26.656 26.872 1.00 5.21 O ATOM 161 CB SER A 22 23.934 26.047 24.586 1.00 5.05 C ATOM 162 OG SER A 22 24.536 26.428 25.856 1.00 6.70 O ATOM 0 H SER A 22 22.021 28.254 25.386 1.00 4.32 H new ATOM 0 HA SER A 22 21.998 25.967 23.927 1.00 5.32 H new ATOM 0 HB2 SER A 22 24.061 25.101 24.415 1.00 5.05 H new ATOM 0 HB3 SER A 22 24.348 26.527 23.851 1.00 5.05 H new ATOM 0 HG SER A 22 25.358 26.255 25.840 1.00 6.70 H new ATOM 163 N SER A 23 21.747 24.524 26.008 1.00 5.19 N ATOM 164 CA SER A 23 21.140 23.876 27.177 1.00 4.26 C ATOM 165 C SER A 23 22.022 24.143 28.396 1.00 7.29 C ATOM 166 O SER A 23 21.459 23.952 29.513 1.00 8.24 O ATOM 167 CB SER A 23 20.948 22.353 26.923 1.00 7.19 C ATOM 168 OG SER A 23 22.159 21.744 26.719 1.00 9.40 O ATOM 0 H SER A 23 22.032 23.990 25.397 1.00 5.19 H new ATOM 0 HA SER A 23 20.258 24.245 27.342 1.00 4.26 H new ATOM 0 HB2 SER A 23 20.499 21.947 27.681 1.00 7.19 H new ATOM 0 HB3 SER A 23 20.378 22.218 26.150 1.00 7.19 H new ATOM 0 HG SER A 23 22.041 20.923 26.585 1.00 9.40 H new ATOM 169 N ASN A 24 23.247 24.524 28.243 1.00 3.76 N ATOM 170 CA ASN A 24 24.233 24.714 29.310 1.00 5.61 C ATOM 171 C ASN A 24 24.114 26.199 29.920 1.00 3.58 C ATOM 172 O ASN A 24 24.864 26.428 30.885 1.00 6.40 O ATOM 173 CB ASN A 24 25.636 24.409 28.954 1.00 6.42 C ATOM 174 CG ASN A 24 25.916 22.848 29.005 1.00 9.33 C ATOM 175 OD1 ASN A 24 25.368 22.277 29.970 1.00 19.98 O ATOM 176 ND2 ASN A 24 26.818 22.467 28.142 1.00 17.47 N ATOM 0 H ASN A 24 23.571 24.697 27.466 1.00 3.76 H new ATOM 0 HA ASN A 24 24.005 24.049 29.979 1.00 5.61 H new ATOM 0 HB2 ASN A 24 25.827 24.745 28.064 1.00 6.42 H new ATOM 0 HB3 ASN A 24 26.234 24.867 29.565 1.00 6.42 H new ATOM 0 HD21 ASN A 24 27.147 21.674 28.186 1.00 17.47 H new ATOM 0 HD22 ASN A 24 27.083 23.009 27.529 1.00 17.47 H new ATOM 177 N TYR A 25 23.244 26.961 29.361 1.00 2.88 N ATOM 178 CA TYR A 25 23.096 28.370 29.869 1.00 4.55 C ATOM 179 C TYR A 25 22.945 28.446 31.393 1.00 3.56 C ATOM 180 O TYR A 25 23.696 29.169 32.053 1.00 4.53 O ATOM 181 CB TYR A 25 21.946 29.093 29.158 1.00 3.45 C ATOM 182 CG TYR A 25 21.768 30.502 29.666 1.00 3.45 C ATOM 183 CD1 TYR A 25 22.375 31.606 29.107 1.00 5.66 C ATOM 184 CD2 TYR A 25 20.836 30.692 30.732 1.00 6.13 C ATOM 185 CE1 TYR A 25 22.137 32.901 29.615 1.00 5.31 C ATOM 186 CE2 TYR A 25 20.643 31.949 31.190 1.00 4.64 C ATOM 187 CZ TYR A 25 21.264 33.092 30.682 1.00 4.27 C ATOM 188 OH TYR A 25 21.101 34.348 31.139 1.00 5.63 O ATOM 0 H TYR A 25 22.727 26.739 28.711 1.00 2.88 H new ATOM 0 HA TYR A 25 23.924 28.828 29.656 1.00 4.55 H new ATOM 0 HB2 TYR A 25 22.118 29.113 28.204 1.00 3.45 H new ATOM 0 HB3 TYR A 25 21.123 28.596 29.288 1.00 3.45 H new ATOM 0 HD1 TYR A 25 22.950 31.496 28.384 1.00 5.66 H new ATOM 0 HD2 TYR A 25 20.376 29.972 31.100 1.00 6.13 H new ATOM 0 HE1 TYR A 25 22.567 33.632 29.234 1.00 5.31 H new ATOM 0 HE2 TYR A 25 20.051 32.061 31.898 1.00 4.64 H new ATOM 0 HH TYR A 25 21.568 34.876 30.681 1.00 5.63 H new ATOM 189 N CYS A 26 22.014 27.684 31.952 1.00 1.63 N ATOM 190 CA CYS A 26 21.686 27.722 33.374 1.00 2.32 C ATOM 191 C CYS A 26 22.864 27.151 34.187 1.00 2.12 C ATOM 192 O CYS A 26 23.275 27.760 35.203 1.00 2.36 O ATOM 193 CB CYS A 26 20.416 26.923 33.679 1.00 2.98 C ATOM 194 SG CYS A 26 18.927 27.836 33.120 1.00 5.22 S ATOM 0 H CYS A 26 21.544 27.118 31.507 1.00 1.63 H new ATOM 0 HA CYS A 26 21.525 28.646 33.623 1.00 2.32 H new ATOM 0 HB2 CYS A 26 20.457 26.060 33.237 1.00 2.98 H new ATOM 0 HB3 CYS A 26 20.357 26.751 34.632 1.00 2.98 H new ATOM 195 N ASN A 27 23.470 26.047 33.729 1.00 4.98 N ATOM 196 CA ASN A 27 24.575 25.514 34.491 1.00 5.43 C ATOM 197 C ASN A 27 25.681 26.580 34.644 1.00 4.46 C ATOM 198 O ASN A 27 26.284 26.694 35.711 1.00 4.80 O ATOM 199 CB ASN A 27 25.123 24.257 33.831 1.00 4.19 C ATOM 200 CG ASN A 27 24.178 23.115 34.034 1.00 7.67 C ATOM 201 OD1 ASN A 27 23.335 23.038 34.898 1.00 5.36 O ATOM 202 ND2 ASN A 27 24.328 22.163 33.018 1.00 11.35 N ATOM 0 H ASN A 27 23.261 25.618 33.013 1.00 4.98 H new ATOM 0 HA ASN A 27 24.256 25.274 35.375 1.00 5.43 H new ATOM 0 HB2 ASN A 27 25.255 24.412 32.883 1.00 4.19 H new ATOM 0 HB3 ASN A 27 25.991 24.039 34.206 1.00 4.19 H new ATOM 0 HD21 ASN A 27 23.805 21.481 32.987 1.00 11.35 H new ATOM 0 HD22 ASN A 27 24.943 22.261 32.425 1.00 11.35 H new ATOM 203 N GLN A 28 25.950 27.227 33.526 1.00 4.84 N ATOM 204 CA GLN A 28 27.027 28.255 33.475 1.00 4.71 C ATOM 205 C GLN A 28 26.656 29.474 34.339 1.00 4.44 C ATOM 206 O GLN A 28 27.451 29.893 35.152 1.00 2.29 O ATOM 207 CB GLN A 28 27.252 28.636 32.002 1.00 10.49 C ATOM 208 CG GLN A 28 27.726 27.532 31.088 1.00 19.04 C ATOM 209 CD GLN A 28 27.529 27.783 29.643 1.00 26.89 C ATOM 210 OE1 GLN A 28 28.002 27.073 28.689 1.00 27.24 O ATOM 211 NE2 GLN A 28 26.796 28.889 29.295 1.00 26.57 N ATOM 0 H GLN A 28 25.537 27.102 32.782 1.00 4.84 H new ATOM 0 HA GLN A 28 27.853 27.902 33.841 1.00 4.71 H new ATOM 0 HB2 GLN A 28 26.420 28.987 31.648 1.00 10.49 H new ATOM 0 HB3 GLN A 28 27.900 29.357 31.970 1.00 10.49 H new ATOM 0 HG2 GLN A 28 28.670 27.381 31.250 1.00 19.04 H new ATOM 0 HG3 GLN A 28 27.263 26.714 31.326 1.00 19.04 H new ATOM 0 HE21 GLN A 28 26.461 29.392 29.906 1.00 26.57 H new ATOM 0 HE22 GLN A 28 26.672 29.079 28.465 1.00 26.57 H new ATOM 212 N MET A 29 25.476 30.007 34.136 1.00 1.24 N ATOM 213 CA MET A 29 25.091 31.226 34.847 1.00 2.54 C ATOM 214 C MET A 29 24.822 31.035 36.371 1.00 3.32 C ATOM 215 O MET A 29 25.130 31.987 37.133 1.00 4.83 O ATOM 216 CB MET A 29 23.838 31.797 34.187 1.00 2.46 C ATOM 217 CG MET A 29 24.092 32.292 32.713 1.00 3.80 C ATOM 218 SD MET A 29 25.096 33.815 32.815 1.00 9.36 S ATOM 219 CE MET A 29 23.869 34.919 33.475 1.00 8.27 C ATOM 0 H MET A 29 24.881 29.693 33.600 1.00 1.24 H new ATOM 0 HA MET A 29 25.848 31.829 34.786 1.00 2.54 H new ATOM 0 HB2 MET A 29 23.144 31.119 34.180 1.00 2.46 H new ATOM 0 HB3 MET A 29 23.507 32.537 34.719 1.00 2.46 H new ATOM 0 HG2 MET A 29 24.554 31.612 32.199 1.00 3.80 H new ATOM 0 HG3 MET A 29 23.251 32.466 32.261 1.00 3.80 H new ATOM 0 HE1 MET A 29 24.047 35.822 33.168 1.00 8.27 H new ATOM 0 HE2 MET A 29 22.989 34.643 33.173 1.00 8.27 H new ATOM 0 HE3 MET A 29 23.900 34.896 34.444 1.00 8.27 H new ATOM 220 N MET A 30 24.157 29.931 36.726 1.00 1.42 N ATOM 221 CA MET A 30 23.858 29.664 38.149 1.00 0.71 C ATOM 222 C MET A 30 25.273 29.664 38.758 1.00 3.65 C ATOM 223 O MET A 30 25.404 30.236 39.927 1.00 3.90 O ATOM 224 CB MET A 30 23.091 28.408 38.352 1.00 0.74 C ATOM 225 CG MET A 30 21.675 28.446 37.844 1.00 3.16 C ATOM 226 SD MET A 30 20.626 29.702 38.606 1.00 4.43 S ATOM 227 CE MET A 30 20.268 28.903 40.130 1.00 3.77 C ATOM 0 H MET A 30 23.874 29.333 36.176 1.00 1.42 H new ATOM 0 HA MET A 30 23.270 30.311 38.568 1.00 0.71 H new ATOM 0 HB2 MET A 30 23.560 27.682 37.911 1.00 0.74 H new ATOM 0 HB3 MET A 30 23.076 28.202 39.300 1.00 0.74 H new ATOM 0 HG2 MET A 30 21.693 28.597 36.886 1.00 3.16 H new ATOM 0 HG3 MET A 30 21.271 27.576 37.987 1.00 3.16 H new ATOM 0 HE1 MET A 30 20.039 29.568 40.798 1.00 3.77 H new ATOM 0 HE2 MET A 30 19.522 28.295 40.010 1.00 3.77 H new ATOM 0 HE3 MET A 30 21.046 28.404 40.425 1.00 3.77 H new ATOM 228 N LYS A 31 26.293 29.055 38.200 1.00 2.95 N ATOM 229 CA LYS A 31 27.605 29.093 38.860 1.00 2.51 C ATOM 230 C LYS A 31 28.283 30.464 38.860 1.00 2.04 C ATOM 231 O LYS A 31 28.812 30.883 39.876 1.00 2.78 O ATOM 232 CB LYS A 31 28.506 28.027 38.200 1.00 5.11 C ATOM 233 CG LYS A 31 29.907 27.989 38.758 1.00 8.12 C ATOM 234 CD LYS A 31 30.735 26.961 37.844 1.00 20.99 C ATOM 235 CE LYS A 31 32.180 27.075 38.352 1.00 24.25 C ATOM 236 NZ LYS A 31 31.970 27.037 39.876 1.00 31.48 N ATOM 0 H LYS A 31 26.264 28.621 37.458 1.00 2.95 H new ATOM 0 HA LYS A 31 27.462 28.900 39.800 1.00 2.51 H new ATOM 0 HB2 LYS A 31 28.097 27.155 38.313 1.00 5.11 H new ATOM 0 HB3 LYS A 31 28.551 28.198 37.246 1.00 5.11 H new ATOM 0 HG2 LYS A 31 30.311 28.871 38.738 1.00 8.12 H new ATOM 0 HG3 LYS A 31 29.902 27.700 39.684 1.00 8.12 H new ATOM 0 HD2 LYS A 31 30.398 26.056 37.936 1.00 20.99 H new ATOM 0 HD3 LYS A 31 30.671 27.193 36.904 1.00 20.99 H new ATOM 0 HE2 LYS A 31 32.735 26.343 38.041 1.00 24.25 H new ATOM 0 HE3 LYS A 31 32.606 27.897 38.062 1.00 24.25 H new ATOM 0 HZ1 LYS A 31 32.719 26.765 40.272 1.00 31.48 H new ATOM 0 HZ2 LYS A 31 31.759 27.851 40.167 1.00 31.48 H new ATOM 0 HZ3 LYS A 31 31.310 26.472 40.071 1.00 31.48 H new ATOM 237 N SER A 32 28.301 31.111 37.692 1.00 3.38 N ATOM 238 CA SER A 32 29.083 32.368 37.539 1.00 4.82 C ATOM 239 C SER A 32 28.476 33.472 38.403 1.00 2.54 C ATOM 240 O SER A 32 29.287 34.348 38.758 1.00 3.05 O ATOM 241 CB SER A 32 29.219 32.711 36.066 1.00 3.91 C ATOM 242 OG SER A 32 27.966 33.053 35.507 1.00 7.02 O ATOM 0 H SER A 32 27.882 30.856 36.986 1.00 3.38 H new ATOM 0 HA SER A 32 29.989 32.255 37.867 1.00 4.82 H new ATOM 0 HB2 SER A 32 29.837 33.451 35.959 1.00 3.91 H new ATOM 0 HB3 SER A 32 29.595 31.955 35.588 1.00 3.91 H new ATOM 0 HG SER A 32 28.063 33.240 34.694 1.00 7.02 H new ATOM 243 N ARG A 33 27.118 33.434 38.606 1.00 1.27 N ATOM 244 CA ARG A 33 26.497 34.500 39.419 1.00 4.74 C ATOM 245 C ARG A 33 26.596 34.120 40.892 1.00 5.42 C ATOM 246 O ARG A 33 25.901 34.767 41.755 1.00 5.62 O ATOM 247 CB ARG A 33 25.096 34.767 38.962 1.00 1.69 C ATOM 248 CG ARG A 33 24.937 35.376 37.590 1.00 1.51 C ATOM 249 CD ARG A 33 25.690 36.671 37.438 1.00 2.55 C ATOM 250 NE ARG A 33 25.486 37.166 36.015 1.00 4.48 N ATOM 251 CZ ARG A 33 24.410 37.813 35.660 1.00 2.53 C ATOM 252 NH1 ARG A 33 23.375 38.042 36.472 1.00 3.51 N ATOM 253 NH2 ARG A 33 24.265 38.270 34.441 1.00 3.75 N ATOM 0 H ARG A 33 26.582 32.836 38.298 1.00 1.27 H new ATOM 0 HA ARG A 33 26.973 35.337 39.302 1.00 4.74 H new ATOM 0 HB2 ARG A 33 24.606 33.930 38.981 1.00 1.69 H new ATOM 0 HB3 ARG A 33 24.674 35.357 39.606 1.00 1.69 H new ATOM 0 HG2 ARG A 33 25.248 34.745 36.922 1.00 1.51 H new ATOM 0 HG3 ARG A 33 23.995 35.531 37.416 1.00 1.51 H new ATOM 0 HD2 ARG A 33 25.368 37.328 38.075 1.00 2.55 H new ATOM 0 HD3 ARG A 33 26.634 36.538 37.619 1.00 2.55 H new ATOM 0 HE ARG A 33 26.096 37.015 35.428 1.00 4.48 H new ATOM 0 HH11 ARG A 33 23.393 37.756 37.283 1.00 3.51 H new ATOM 0 HH12 ARG A 33 22.690 38.475 36.184 1.00 3.51 H new ATOM 0 HH21 ARG A 33 24.885 38.146 33.858 1.00 3.75 H new ATOM 0 HH22 ARG A 33 23.549 38.694 34.223 1.00 3.75 H new ATOM 254 N ASN A 34 27.274 33.015 41.197 1.00 4.85 N ATOM 255 CA ASN A 34 27.448 32.558 42.619 1.00 3.19 C ATOM 256 C ASN A 34 26.207 32.101 43.330 1.00 4.63 C ATOM 257 O ASN A 34 26.130 31.987 44.600 1.00 3.63 O ATOM 258 CB ASN A 34 28.228 33.548 43.482 1.00 3.82 C ATOM 259 CG ASN A 34 29.558 33.929 42.771 1.00 4.58 C ATOM 260 OD1 ASN A 34 30.282 32.977 42.314 1.00 6.69 O ATOM 261 ND2 ASN A 34 29.927 35.224 42.822 1.00 5.31 N ATOM 0 H ASN A 34 27.646 32.505 40.613 1.00 4.85 H new ATOM 0 HA ASN A 34 27.982 31.756 42.504 1.00 3.19 H new ATOM 0 HB2 ASN A 34 27.695 34.343 43.639 1.00 3.82 H new ATOM 0 HB3 ASN A 34 28.415 33.157 44.350 1.00 3.82 H new ATOM 0 HD21 ASN A 34 30.701 35.462 42.534 1.00 5.31 H new ATOM 0 HD22 ASN A 34 29.388 35.812 43.143 1.00 5.31 H new ATOM 262 N LEU A 35 25.220 31.568 42.568 1.00 4.61 N ATOM 263 CA LEU A 35 24.024 31.035 43.127 1.00 3.58 C ATOM 264 C LEU A 35 24.185 29.550 43.482 1.00 6.84 C ATOM 265 O LEU A 35 23.137 28.979 43.940 1.00 11.00 O ATOM 266 CB LEU A 35 22.860 31.226 42.162 1.00 4.45 C ATOM 267 CG LEU A 35 22.729 32.673 41.603 1.00 10.38 C ATOM 268 CD1 LEU A 35 21.580 32.749 40.689 1.00 13.54 C ATOM 269 CD2 LEU A 35 22.579 33.663 42.721 1.00 9.88 C ATOM 0 H LEU A 35 25.256 31.520 41.710 1.00 4.61 H new ATOM 0 HA LEU A 35 23.837 31.518 43.947 1.00 3.58 H new ATOM 0 HB2 LEU A 35 22.964 30.611 41.419 1.00 4.45 H new ATOM 0 HB3 LEU A 35 22.035 30.988 42.614 1.00 4.45 H new ATOM 0 HG LEU A 35 23.537 32.894 41.114 1.00 10.38 H new ATOM 0 HD11 LEU A 35 21.501 33.652 40.342 1.00 13.54 H new ATOM 0 HD12 LEU A 35 21.710 32.131 39.953 1.00 13.54 H new ATOM 0 HD13 LEU A 35 20.769 32.515 41.168 1.00 13.54 H new ATOM 0 HD21 LEU A 35 22.499 34.557 42.353 1.00 9.88 H new ATOM 0 HD22 LEU A 35 21.784 33.453 43.235 1.00 9.88 H new ATOM 0 HD23 LEU A 35 23.357 33.620 43.298 1.00 9.88 H new ATOM 270 N THR A 36 25.352 29.017 43.229 1.00 5.87 N ATOM 271 CA THR A 36 25.528 27.570 43.635 1.00 5.37 C ATOM 272 C THR A 36 26.676 27.456 44.651 1.00 5.41 C ATOM 273 O THR A 36 27.045 26.351 44.905 1.00 4.81 O ATOM 274 CB THR A 36 25.811 26.732 42.365 1.00 7.62 C ATOM 275 OG1 THR A 36 27.007 27.189 41.806 1.00 5.59 O ATOM 276 CG2 THR A 36 24.588 26.694 41.501 1.00 6.60 C ATOM 0 H THR A 36 26.025 29.403 42.858 1.00 5.87 H new ATOM 0 HA THR A 36 24.723 27.233 44.059 1.00 5.37 H new ATOM 0 HB THR A 36 25.971 25.791 42.539 1.00 7.62 H new ATOM 0 HG1 THR A 36 27.181 26.745 41.114 1.00 5.59 H new ATOM 0 HG21 THR A 36 24.769 26.168 40.706 1.00 6.60 H new ATOM 0 HG22 THR A 36 23.856 26.292 41.994 1.00 6.60 H new ATOM 0 HG23 THR A 36 24.346 27.597 41.242 1.00 6.60 H new ATOM 277 N LYS A 37 27.162 28.598 45.108 1.00 5.33 N ATOM 278 CA LYS A 37 28.326 28.636 45.972 1.00 8.01 C ATOM 279 C LYS A 37 28.146 27.836 47.292 1.00 4.69 C ATOM 280 O LYS A 37 29.001 26.999 47.597 1.00 7.42 O ATOM 281 CB LYS A 37 28.694 30.083 46.327 1.00 6.57 C ATOM 282 CG LYS A 37 30.079 30.045 47.038 1.00 12.79 C ATOM 283 CD LYS A 37 30.403 31.454 47.546 1.00 16.97 C ATOM 284 CE LYS A 37 31.655 31.492 48.410 1.00 17.86 C ATOM 285 NZ LYS A 37 32.822 31.188 47.546 1.00 29.57 N ATOM 0 H LYS A 37 26.828 29.369 44.927 1.00 5.33 H new ATOM 0 HA LYS A 37 29.037 28.215 45.464 1.00 8.01 H new ATOM 0 HB2 LYS A 37 28.734 30.632 45.528 1.00 6.57 H new ATOM 0 HB3 LYS A 37 28.022 30.475 46.907 1.00 6.57 H new ATOM 0 HG2 LYS A 37 30.062 29.416 47.776 1.00 12.79 H new ATOM 0 HG3 LYS A 37 30.765 29.742 46.423 1.00 12.79 H new ATOM 0 HD2 LYS A 37 30.519 32.048 46.788 1.00 16.97 H new ATOM 0 HD3 LYS A 37 29.651 31.790 48.058 1.00 16.97 H new ATOM 0 HE2 LYS A 37 31.756 32.365 48.821 1.00 17.86 H new ATOM 0 HE3 LYS A 37 31.589 30.845 49.130 1.00 17.86 H new ATOM 0 HZ1 LYS A 37 33.573 31.319 48.005 1.00 29.57 H new ATOM 0 HZ2 LYS A 37 32.781 30.340 47.279 1.00 29.57 H new ATOM 0 HZ3 LYS A 37 32.812 31.723 46.835 1.00 29.57 H new ATOM 286 N ASP A 38 27.052 28.103 48.003 1.00 5.23 N ATOM 287 CA ASP A 38 26.887 27.418 49.273 1.00 5.00 C ATOM 288 C ASP A 38 25.824 26.313 49.273 1.00 6.87 C ATOM 289 O ASP A 38 25.911 25.437 50.188 1.00 5.06 O ATOM 290 CB ASP A 38 26.442 28.560 50.188 1.00 4.66 C ATOM 291 CG ASP A 38 27.445 29.626 50.493 1.00 9.00 C ATOM 292 OD1 ASP A 38 28.655 29.360 50.391 1.00 10.34 O ATOM 293 OD2 ASP A 38 26.898 30.769 50.645 1.00 9.35 O ATOM 0 H ASP A 38 26.426 28.649 47.780 1.00 5.23 H new ATOM 0 HA ASP A 38 27.699 26.954 49.531 1.00 5.00 H new ATOM 0 HB2 ASP A 38 25.668 28.983 49.785 1.00 4.66 H new ATOM 0 HB3 ASP A 38 26.149 28.174 51.028 1.00 4.66 H new ATOM 294 N ARG A 39 24.927 26.275 48.308 1.00 4.19 N ATOM 295 CA ARG A 39 23.924 25.323 48.105 1.00 3.81 C ATOM 296 C ARG A 39 23.366 25.476 46.683 1.00 4.44 C ATOM 297 O ARG A 39 23.810 26.542 46.073 1.00 4.98 O ATOM 298 CB ARG A 39 22.697 25.361 49.070 1.00 4.94 C ATOM 299 CG ARG A 39 22.062 26.770 49.121 1.00 6.91 C ATOM 300 CD ARG A 39 20.674 26.656 49.629 1.00 24.30 C ATOM 301 NE ARG A 39 19.701 27.646 49.121 1.00 27.39 N ATOM 302 CZ ARG A 39 18.492 27.265 48.715 1.00 28.08 C ATOM 303 NH1 ARG A 39 18.035 26.009 48.664 1.00 24.97 N ATOM 304 NH2 ARG A 39 17.593 28.255 48.461 1.00 32.83 N ATOM 0 H ARG A 39 24.909 26.884 47.701 1.00 4.19 H new ATOM 0 HA ARG A 39 24.375 24.481 48.275 1.00 3.81 H new ATOM 0 HB2 ARG A 39 22.034 24.716 48.778 1.00 4.94 H new ATOM 0 HB3 ARG A 39 22.976 25.098 49.961 1.00 4.94 H new ATOM 0 HG2 ARG A 39 22.583 27.351 49.697 1.00 6.91 H new ATOM 0 HG3 ARG A 39 22.064 27.170 48.237 1.00 6.91 H new ATOM 0 HD2 ARG A 39 20.344 25.769 49.415 1.00 24.30 H new ATOM 0 HD3 ARG A 39 20.698 26.723 50.596 1.00 24.30 H new ATOM 0 HE ARG A 39 19.918 28.477 49.087 1.00 27.39 H new ATOM 0 HH11 ARG A 39 18.540 25.357 48.908 1.00 24.97 H new ATOM 0 HH12 ARG A 39 17.236 25.853 48.387 1.00 24.97 H new ATOM 0 HH21 ARG A 39 17.819 29.078 48.565 1.00 32.83 H new ATOM 0 HH22 ARG A 39 16.799 28.057 48.196 1.00 32.83 H new ATOM 305 N CYS A 40 22.689 24.485 46.175 1.00 0.72 N ATOM 306 CA CYS A 40 22.146 24.600 44.803 1.00 2.96 C ATOM 307 C CYS A 40 20.847 25.399 44.905 1.00 4.08 C ATOM 308 O CYS A 40 19.858 24.866 45.362 1.00 5.39 O ATOM 309 CB CYS A 40 21.897 23.267 44.143 1.00 3.89 C ATOM 310 SG CYS A 40 23.254 22.086 44.041 1.00 5.23 S ATOM 0 H CYS A 40 22.522 23.743 46.577 1.00 0.72 H new ATOM 0 HA CYS A 40 22.801 25.043 44.241 1.00 2.96 H new ATOM 0 HB2 CYS A 40 21.167 22.837 44.615 1.00 3.89 H new ATOM 0 HB3 CYS A 40 21.588 23.439 43.240 1.00 3.89 H new ATOM 311 N LYS A 41 20.863 26.694 44.549 1.00 3.70 N ATOM 312 CA LYS A 41 19.535 27.456 44.549 1.00 4.37 C ATOM 313 C LYS A 41 18.607 26.656 43.686 1.00 5.96 C ATOM 314 O LYS A 41 18.994 26.351 42.467 1.00 5.26 O ATOM 315 CB LYS A 41 19.728 28.865 43.990 1.00 7.80 C ATOM 316 CG LYS A 41 18.430 29.664 43.990 1.00 12.67 C ATOM 317 CD LYS A 41 18.726 31.111 43.482 1.00 10.13 C ATOM 318 CE LYS A 41 17.603 31.987 44.092 1.00 12.61 C ATOM 319 NZ LYS A 41 17.110 32.960 43.083 1.00 10.00 N ATOM 0 H LYS A 41 21.558 27.144 44.317 1.00 3.70 H new ATOM 0 HA LYS A 41 19.179 27.560 45.445 1.00 4.37 H new ATOM 0 HB2 LYS A 41 20.394 29.333 44.518 1.00 7.80 H new ATOM 0 HB3 LYS A 41 20.072 28.808 43.085 1.00 7.80 H new ATOM 0 HG2 LYS A 41 17.773 29.236 43.419 1.00 12.67 H new ATOM 0 HG3 LYS A 41 18.054 29.693 44.884 1.00 12.67 H new ATOM 0 HD2 LYS A 41 19.602 31.412 43.770 1.00 10.13 H new ATOM 0 HD3 LYS A 41 18.716 31.152 42.513 1.00 10.13 H new ATOM 0 HE2 LYS A 41 16.872 31.425 44.394 1.00 12.61 H new ATOM 0 HE3 LYS A 41 17.938 32.459 44.870 1.00 12.61 H new ATOM 0 HZ1 LYS A 41 17.222 33.788 43.389 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 17.567 32.860 42.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 16.245 32.816 42.929 1.00 10.00 H new ATOM 320 N PRO A 42 17.485 26.199 43.990 1.00 5.95 N ATOM 321 CA PRO A 42 16.617 25.361 43.229 1.00 4.75 C ATOM 322 C PRO A 42 15.985 25.932 41.959 1.00 7.92 C ATOM 323 O PRO A 42 15.810 25.133 41.044 1.00 4.46 O ATOM 324 CB PRO A 42 15.405 24.942 44.143 1.00 7.69 C ATOM 325 CG PRO A 42 15.446 25.932 45.311 1.00 13.15 C ATOM 326 CD PRO A 42 16.877 26.466 45.362 1.00 10.75 C ATOM 0 HA PRO A 42 17.207 24.648 42.938 1.00 4.75 H new ATOM 0 HB2 PRO A 42 14.564 24.997 43.662 1.00 7.69 H new ATOM 0 HB3 PRO A 42 15.495 24.027 44.452 1.00 7.69 H new ATOM 0 HG2 PRO A 42 14.811 26.653 45.177 1.00 13.15 H new ATOM 0 HG3 PRO A 42 15.208 25.496 46.144 1.00 13.15 H new ATOM 0 HD2 PRO A 42 16.885 27.415 45.565 1.00 10.75 H new ATOM 0 HD3 PRO A 42 17.387 26.023 46.058 1.00 10.75 H new ATOM 327 N VAL A 43 15.483 27.151 42.060 1.00 6.61 N ATOM 328 CA VAL A 43 14.807 27.722 40.841 1.00 6.39 C ATOM 329 C VAL A 43 15.354 29.131 40.689 1.00 6.46 C ATOM 330 O VAL A 43 15.631 29.740 41.755 1.00 8.34 O ATOM 331 CB VAL A 43 13.302 27.722 41.044 1.00 13.05 C ATOM 332 CG1 VAL A 43 12.537 28.408 39.927 1.00 13.71 C ATOM 333 CG2 VAL A 43 12.726 26.351 41.298 1.00 10.12 C ATOM 0 H VAL A 43 15.505 27.653 42.758 1.00 6.61 H new ATOM 0 HA VAL A 43 14.980 27.201 40.041 1.00 6.39 H new ATOM 0 HB VAL A 43 13.181 28.247 41.850 1.00 13.05 H new ATOM 0 HG11 VAL A 43 11.586 28.373 40.117 1.00 13.71 H new ATOM 0 HG12 VAL A 43 12.820 29.334 39.862 1.00 13.71 H new ATOM 0 HG13 VAL A 43 12.715 27.956 39.087 1.00 13.71 H new ATOM 0 HG21 VAL A 43 11.766 26.420 41.419 1.00 10.12 H new ATOM 0 HG22 VAL A 43 12.916 25.775 40.541 1.00 10.12 H new ATOM 0 HG23 VAL A 43 13.126 25.975 42.098 1.00 10.12 H new ATOM 334 N ASN A 44 15.563 29.588 39.470 1.00 5.02 N ATOM 335 CA ASN A 44 16.036 30.997 39.266 1.00 4.98 C ATOM 336 C ASN A 44 15.685 31.416 37.844 1.00 4.34 C ATOM 337 O ASN A 44 15.864 30.616 36.930 1.00 13.11 O ATOM 338 CB ASN A 44 17.525 31.073 39.622 1.00 6.17 C ATOM 339 CG ASN A 44 17.938 32.558 39.622 1.00 6.84 C ATOM 340 OD1 ASN A 44 17.641 33.206 40.638 1.00 10.18 O ATOM 341 ND2 ASN A 44 18.634 33.053 38.657 1.00 3.01 N ATOM 0 H ASN A 44 15.448 29.133 38.749 1.00 5.02 H new ATOM 0 HA ASN A 44 15.595 31.633 39.851 1.00 4.98 H new ATOM 0 HB2 ASN A 44 17.687 30.676 40.492 1.00 6.17 H new ATOM 0 HB3 ASN A 44 18.053 30.574 38.980 1.00 6.17 H new ATOM 0 HD21 ASN A 44 18.913 33.865 38.701 1.00 3.01 H new ATOM 0 HD22 ASN A 44 18.819 32.571 37.969 1.00 3.01 H new ATOM 342 N THR A 45 15.154 32.635 37.742 1.00 3.16 N ATOM 343 CA THR A 45 14.906 33.206 36.371 1.00 1.23 C ATOM 344 C THR A 45 15.910 34.310 36.066 1.00 2.91 C ATOM 345 O THR A 45 16.204 35.224 36.879 1.00 4.32 O ATOM 346 CB THR A 45 13.490 33.739 36.269 1.00 2.62 C ATOM 347 OG1 THR A 45 12.678 32.596 36.523 1.00 5.62 O ATOM 348 CG2 THR A 45 12.991 34.310 34.949 1.00 8.89 C ATOM 0 H THR A 45 14.934 33.140 38.403 1.00 3.16 H new ATOM 0 HA THR A 45 15.018 32.498 35.718 1.00 1.23 H new ATOM 0 HB THR A 45 13.455 34.497 36.874 1.00 2.62 H new ATOM 0 HG1 THR A 45 11.868 32.814 36.485 1.00 5.62 H new ATOM 0 HG21 THR A 45 12.073 34.606 35.051 1.00 8.89 H new ATOM 0 HG22 THR A 45 13.546 35.063 34.691 1.00 8.89 H new ATOM 0 HG23 THR A 45 13.036 33.626 34.263 1.00 8.89 H new ATOM 349 N PHE A 46 16.312 34.386 34.796 1.00 2.47 N ATOM 350 CA PHE A 46 17.213 35.376 34.237 1.00 1.51 C ATOM 351 C PHE A 46 16.345 36.176 33.171 1.00 2.66 C ATOM 352 O PHE A 46 15.594 35.567 32.409 1.00 3.74 O ATOM 353 CB PHE A 46 18.513 34.805 33.526 1.00 4.90 C ATOM 354 CG PHE A 46 19.499 34.272 34.593 1.00 3.30 C ATOM 355 CD1 PHE A 46 20.294 35.148 35.304 1.00 3.14 C ATOM 356 CD2 PHE A 46 19.528 32.901 34.796 1.00 4.50 C ATOM 357 CE1 PHE A 46 21.192 34.653 36.269 1.00 4.01 C ATOM 358 CE2 PHE A 46 20.485 32.368 35.761 1.00 5.23 C ATOM 359 CZ PHE A 46 21.280 33.320 36.472 1.00 4.18 C ATOM 0 H PHE A 46 16.044 33.821 34.205 1.00 2.47 H new ATOM 0 HA PHE A 46 17.560 35.913 34.967 1.00 1.51 H new ATOM 0 HB2 PHE A 46 18.271 34.094 32.913 1.00 4.90 H new ATOM 0 HB3 PHE A 46 18.937 35.501 33.000 1.00 4.90 H new ATOM 0 HD1 PHE A 46 20.237 36.063 35.146 1.00 3.14 H new ATOM 0 HD2 PHE A 46 18.954 32.337 34.330 1.00 4.50 H new ATOM 0 HE1 PHE A 46 21.720 35.238 36.762 1.00 4.01 H new ATOM 0 HE2 PHE A 46 20.573 31.454 35.906 1.00 5.23 H new ATOM 0 HZ PHE A 46 21.886 33.007 37.104 1.00 4.18 H new ATOM 360 N VAL A 47 16.552 37.509 33.171 1.00 3.50 N ATOM 361 CA VAL A 47 15.757 38.347 32.256 1.00 1.53 C ATOM 362 C VAL A 47 16.748 38.994 31.291 1.00 3.76 C ATOM 363 O VAL A 47 17.662 39.679 31.698 1.00 3.83 O ATOM 364 CB VAL A 47 14.958 39.337 33.069 1.00 5.41 C ATOM 365 CG1 VAL A 47 14.134 40.251 32.155 1.00 3.93 C ATOM 366 CG2 VAL A 47 14.085 38.651 34.136 1.00 3.75 C ATOM 0 H VAL A 47 17.118 37.927 33.666 1.00 3.50 H new ATOM 0 HA VAL A 47 15.109 37.845 31.737 1.00 1.53 H new ATOM 0 HB VAL A 47 15.589 39.891 33.554 1.00 5.41 H new ATOM 0 HG11 VAL A 47 13.629 40.879 32.695 1.00 3.93 H new ATOM 0 HG12 VAL A 47 14.729 40.739 31.564 1.00 3.93 H new ATOM 0 HG13 VAL A 47 13.523 39.714 31.627 1.00 3.93 H new ATOM 0 HG21 VAL A 47 13.592 39.323 34.632 1.00 3.75 H new ATOM 0 HG22 VAL A 47 13.462 38.046 33.704 1.00 3.75 H new ATOM 0 HG23 VAL A 47 14.651 38.151 34.745 1.00 3.75 H new ATOM 367 N HIS A 48 16.544 38.727 29.970 1.00 3.80 N ATOM 368 CA HIS A 48 17.388 39.222 28.904 1.00 2.92 C ATOM 369 C HIS A 48 16.784 40.479 28.345 1.00 4.46 C ATOM 370 O HIS A 48 16.167 40.517 27.227 1.00 4.88 O ATOM 371 CB HIS A 48 17.420 38.118 27.786 1.00 4.68 C ATOM 372 CG HIS A 48 17.921 36.785 28.193 1.00 4.13 C ATOM 373 ND1 HIS A 48 19.234 36.481 28.142 1.00 7.52 N ATOM 374 CD2 HIS A 48 17.167 35.719 28.650 1.00 5.40 C ATOM 375 CE1 HIS A 48 19.277 35.186 28.599 1.00 4.94 C ATOM 376 NE2 HIS A 48 18.067 34.691 28.904 1.00 5.15 N ATOM 0 H HIS A 48 15.892 38.242 29.689 1.00 3.80 H new ATOM 0 HA HIS A 48 18.283 39.415 29.225 1.00 2.92 H new ATOM 0 HB2 HIS A 48 16.521 38.012 27.437 1.00 4.68 H new ATOM 0 HB3 HIS A 48 17.971 38.440 27.056 1.00 4.68 H new ATOM 0 HD2 HIS A 48 16.244 35.695 28.764 1.00 5.40 H new ATOM 0 HE1 HIS A 48 20.065 34.701 28.688 1.00 4.94 H new ATOM 0 HE2 HIS A 48 17.886 33.902 29.196 1.00 5.15 H new ATOM 377 N GLU A 49 16.886 41.583 29.107 1.00 3.14 N ATOM 378 CA GLU A 49 16.370 42.878 28.751 1.00 3.10 C ATOM 379 C GLU A 49 17.269 43.906 29.412 1.00 1.69 C ATOM 380 O GLU A 49 18.255 43.525 30.174 1.00 4.39 O ATOM 381 CB GLU A 49 14.923 43.145 29.259 1.00 5.18 C ATOM 382 CG GLU A 49 13.935 42.116 28.802 1.00 4.76 C ATOM 383 CD GLU A 49 13.555 42.193 27.278 1.00 4.98 C ATOM 384 OE1 GLU A 49 13.999 43.221 26.669 1.00 7.43 O ATOM 385 OE2 GLU A 49 12.966 41.241 26.770 1.00 5.42 O ATOM 0 H GLU A 49 17.277 41.578 29.873 1.00 3.14 H new ATOM 0 HA GLU A 49 16.349 42.927 27.782 1.00 3.10 H new ATOM 0 HB2 GLU A 49 14.927 43.172 30.229 1.00 5.18 H new ATOM 0 HB3 GLU A 49 14.635 44.019 28.952 1.00 5.18 H new ATOM 0 HG2 GLU A 49 14.296 41.235 28.988 1.00 4.76 H new ATOM 0 HG3 GLU A 49 13.126 42.208 29.329 1.00 4.76 H new ATOM 386 N SER A 50 17.181 45.163 28.904 1.00 3.51 N ATOM 387 CA SER A 50 18.050 46.153 29.564 1.00 4.51 C ATOM 388 C SER A 50 17.678 46.343 31.037 1.00 3.43 C ATOM 389 O SER A 50 16.452 46.191 31.393 1.00 4.15 O ATOM 390 CB SER A 50 17.860 47.448 28.802 1.00 3.34 C ATOM 391 OG SER A 50 16.591 47.981 29.107 1.00 6.52 O ATOM 0 H SER A 50 16.685 45.434 28.256 1.00 3.51 H new ATOM 0 HA SER A 50 18.974 45.857 29.553 1.00 4.51 H new ATOM 0 HB2 SER A 50 18.555 48.081 29.040 1.00 3.34 H new ATOM 0 HB3 SER A 50 17.936 47.289 27.848 1.00 3.34 H new ATOM 0 HG SER A 50 16.481 48.701 28.688 1.00 6.52 H new ATOM 392 N LEU A 51 18.576 46.762 31.901 1.00 1.99 N ATOM 393 CA LEU A 51 18.189 46.953 33.323 1.00 4.07 C ATOM 394 C LEU A 51 17.185 48.057 33.425 1.00 5.55 C ATOM 395 O LEU A 51 16.239 47.905 34.237 1.00 5.19 O ATOM 396 CB LEU A 51 19.471 47.295 34.085 1.00 8.45 C ATOM 397 CG LEU A 51 19.246 47.714 35.558 1.00 5.90 C ATOM 398 CD1 LEU A 51 18.728 46.496 36.320 1.00 5.91 C ATOM 399 CD2 LEU A 51 20.573 48.209 36.066 1.00 7.13 C ATOM 0 H LEU A 51 19.396 46.942 31.714 1.00 1.99 H new ATOM 0 HA LEU A 51 17.781 46.156 33.697 1.00 4.07 H new ATOM 0 HB2 LEU A 51 20.061 46.525 34.066 1.00 8.45 H new ATOM 0 HB3 LEU A 51 19.928 48.014 33.622 1.00 8.45 H new ATOM 0 HG LEU A 51 18.589 48.419 35.668 1.00 5.90 H new ATOM 0 HD11 LEU A 51 18.579 46.734 37.248 1.00 5.91 H new ATOM 0 HD12 LEU A 51 17.894 46.198 35.925 1.00 5.91 H new ATOM 0 HD13 LEU A 51 19.382 45.781 36.271 1.00 5.91 H new ATOM 0 HD21 LEU A 51 20.483 48.485 36.992 1.00 7.13 H new ATOM 0 HD22 LEU A 51 21.229 47.498 36.004 1.00 7.13 H new ATOM 0 HD23 LEU A 51 20.863 48.964 35.531 1.00 7.13 H new ATOM 400 N ALA A 52 17.231 49.161 32.663 1.00 2.64 N ATOM 401 CA ALA A 52 16.228 50.189 32.764 1.00 3.89 C ATOM 402 C ALA A 52 14.871 49.656 32.459 1.00 4.01 C ATOM 403 O ALA A 52 13.881 49.999 33.120 1.00 4.58 O ATOM 404 CB ALA A 52 16.481 51.408 31.799 1.00 1.51 C ATOM 0 H ALA A 52 17.846 49.319 32.083 1.00 2.64 H new ATOM 0 HA ALA A 52 16.284 50.497 33.682 1.00 3.89 H new ATOM 0 HB1 ALA A 52 15.775 52.063 31.913 1.00 1.51 H new ATOM 0 HB2 ALA A 52 17.336 51.815 32.009 1.00 1.51 H new ATOM 0 HB3 ALA A 52 16.488 51.098 30.880 1.00 1.51 H new ATOM 405 N ASP A 53 14.726 48.742 31.444 1.00 0.89 N ATOM 406 CA ASP A 53 13.354 48.247 31.190 1.00 3.34 C ATOM 407 C ASP A 53 12.747 47.410 32.256 1.00 3.15 C ATOM 408 O ASP A 53 11.522 47.333 32.510 1.00 6.27 O ATOM 409 CB ASP A 53 13.431 47.448 29.818 1.00 2.79 C ATOM 410 CG ASP A 53 13.464 48.285 28.599 1.00 4.76 C ATOM 411 OD1 ASP A 53 13.493 49.504 28.599 1.00 6.60 O ATOM 412 OD2 ASP A 53 13.481 47.562 27.532 1.00 9.92 O ATOM 0 H ASP A 53 15.351 48.429 30.943 1.00 0.89 H new ATOM 0 HA ASP A 53 12.761 49.014 31.162 1.00 3.34 H new ATOM 0 HB2 ASP A 53 14.224 46.889 29.830 1.00 2.79 H new ATOM 0 HB3 ASP A 53 12.666 46.854 29.764 1.00 2.79 H new ATOM 413 N VAL A 54 13.601 46.686 32.967 1.00 1.56 N ATOM 414 CA VAL A 54 13.185 45.810 34.085 1.00 4.11 C ATOM 415 C VAL A 54 12.872 46.724 35.355 1.00 6.94 C ATOM 416 O VAL A 54 11.838 46.572 35.964 1.00 2.79 O ATOM 417 CB VAL A 54 14.173 44.744 34.441 1.00 3.49 C ATOM 418 CG1 VAL A 54 13.728 43.944 35.660 1.00 4.70 C ATOM 419 CG2 VAL A 54 14.382 43.792 33.221 1.00 2.82 C ATOM 0 H VAL A 54 14.449 46.681 32.822 1.00 1.56 H new ATOM 0 HA VAL A 54 12.395 45.331 33.790 1.00 4.11 H new ATOM 0 HB VAL A 54 15.012 45.177 34.666 1.00 3.49 H new ATOM 0 HG11 VAL A 54 14.390 43.264 35.861 1.00 4.70 H new ATOM 0 HG12 VAL A 54 13.634 44.538 36.421 1.00 4.70 H new ATOM 0 HG13 VAL A 54 12.876 43.519 35.475 1.00 4.70 H new ATOM 0 HG21 VAL A 54 15.023 43.102 33.455 1.00 2.82 H new ATOM 0 HG22 VAL A 54 13.537 43.380 32.983 1.00 2.82 H new ATOM 0 HG23 VAL A 54 14.717 44.301 32.466 1.00 2.82 H new ATOM 420 N GLN A 55 13.713 47.714 35.507 1.00 2.85 N ATOM 421 CA GLN A 55 13.489 48.666 36.676 1.00 4.16 C ATOM 422 C GLN A 55 12.103 49.352 36.472 1.00 3.23 C ATOM 423 O GLN A 55 11.407 49.694 37.438 1.00 4.18 O ATOM 424 CB GLN A 55 14.596 49.618 36.726 1.00 2.19 C ATOM 425 CG GLN A 55 15.907 49.123 37.387 1.00 2.37 C ATOM 426 CD GLN A 55 17.059 50.037 37.184 1.00 4.76 C ATOM 427 OE1 GLN A 55 17.046 50.799 36.218 1.00 6.99 O ATOM 428 NE2 GLN A 55 18.119 49.923 37.996 1.00 3.39 N ATOM 0 H GLN A 55 14.390 47.882 35.004 1.00 2.85 H new ATOM 0 HA GLN A 55 13.473 48.205 37.529 1.00 4.16 H new ATOM 0 HB2 GLN A 55 14.799 49.894 35.819 1.00 2.19 H new ATOM 0 HB3 GLN A 55 14.296 50.408 37.202 1.00 2.19 H new ATOM 0 HG2 GLN A 55 15.758 49.010 38.339 1.00 2.37 H new ATOM 0 HG3 GLN A 55 16.130 48.249 37.029 1.00 2.37 H new ATOM 0 HE21 GLN A 55 18.094 49.380 38.662 1.00 3.39 H new ATOM 0 HE22 GLN A 55 18.825 50.393 37.851 1.00 3.39 H new ATOM 429 N ALA A 56 11.766 49.694 35.203 1.00 3.14 N ATOM 430 CA ALA A 56 10.542 50.380 34.847 1.00 4.14 C ATOM 431 C ALA A 56 9.302 49.580 35.253 1.00 4.84 C ATOM 432 O ALA A 56 8.269 50.189 35.355 1.00 2.99 O ATOM 433 CB ALA A 56 10.531 50.684 33.374 1.00 4.73 C ATOM 0 H ALA A 56 12.267 49.521 34.526 1.00 3.14 H new ATOM 0 HA ALA A 56 10.513 51.215 35.339 1.00 4.14 H new ATOM 0 HB1 ALA A 56 9.708 51.143 33.144 1.00 4.73 H new ATOM 0 HB2 ALA A 56 11.288 51.249 33.154 1.00 4.73 H new ATOM 0 HB3 ALA A 56 10.590 49.856 32.872 1.00 4.73 H new ATOM 434 N VAL A 57 9.508 48.285 35.457 1.00 4.76 N ATOM 435 CA VAL A 57 8.268 47.486 35.863 1.00 2.05 C ATOM 436 C VAL A 57 7.674 47.981 37.184 1.00 2.08 C ATOM 437 O VAL A 57 6.449 47.828 37.438 1.00 2.39 O ATOM 438 CB VAL A 57 8.666 46.039 35.812 1.00 1.76 C ATOM 439 CG1 VAL A 57 7.396 45.201 36.218 1.00 3.73 C ATOM 440 CG2 VAL A 57 9.009 45.582 34.441 1.00 2.58 C ATOM 0 H VAL A 57 10.251 47.857 35.386 1.00 4.76 H new ATOM 0 HA VAL A 57 7.524 47.614 35.253 1.00 2.05 H new ATOM 0 HB VAL A 57 9.436 45.926 36.390 1.00 1.76 H new ATOM 0 HG11 VAL A 57 7.612 44.256 36.197 1.00 3.73 H new ATOM 0 HG12 VAL A 57 7.117 45.449 37.113 1.00 3.73 H new ATOM 0 HG13 VAL A 57 6.676 45.381 35.594 1.00 3.73 H new ATOM 0 HG21 VAL A 57 9.258 44.645 34.465 1.00 2.58 H new ATOM 0 HG22 VAL A 57 8.241 45.698 33.860 1.00 2.58 H new ATOM 0 HG23 VAL A 57 9.752 46.105 34.102 1.00 2.58 H new ATOM 441 N CYS A 58 8.528 48.590 37.996 1.00 3.20 N ATOM 442 CA CYS A 58 8.112 49.123 39.317 1.00 3.45 C ATOM 443 C CYS A 58 7.065 50.228 39.165 1.00 7.13 C ATOM 444 O CYS A 58 6.428 50.608 40.231 1.00 6.27 O ATOM 445 CB CYS A 58 9.409 49.618 40.028 1.00 5.09 C ATOM 446 SG CYS A 58 10.411 48.247 40.536 1.00 4.51 S ATOM 0 H CYS A 58 9.359 48.712 37.812 1.00 3.20 H new ATOM 0 HA CYS A 58 7.682 48.439 39.854 1.00 3.45 H new ATOM 0 HB2 CYS A 58 9.914 50.188 39.428 1.00 5.09 H new ATOM 0 HB3 CYS A 58 9.174 50.156 40.800 1.00 5.09 H new ATOM 447 N SER A 59 6.891 50.723 37.946 1.00 4.66 N ATOM 448 CA SER A 59 5.829 51.751 37.742 1.00 6.29 C ATOM 449 C SER A 59 4.710 51.256 36.828 1.00 9.70 C ATOM 450 O SER A 59 3.988 52.093 36.269 1.00 8.04 O ATOM 451 CB SER A 59 6.464 53.045 37.285 1.00 7.10 C ATOM 452 OG SER A 59 7.131 52.855 36.117 1.00 14.55 O ATOM 0 H SER A 59 7.341 50.503 37.247 1.00 4.66 H new ATOM 0 HA SER A 59 5.387 51.925 38.588 1.00 6.29 H new ATOM 0 HB2 SER A 59 5.781 53.724 37.168 1.00 7.10 H new ATOM 0 HB3 SER A 59 7.075 53.371 37.964 1.00 7.10 H new ATOM 0 HG SER A 59 7.286 52.036 36.012 1.00 14.55 H new ATOM 453 N GLN A 60 4.695 49.923 36.676 1.00 5.35 N ATOM 454 CA GLN A 60 3.664 49.314 35.761 1.00 5.00 C ATOM 455 C GLN A 60 2.512 48.780 36.574 1.00 4.40 C ATOM 456 O GLN A 60 2.081 49.390 37.539 1.00 4.94 O ATOM 457 CB GLN A 60 4.390 48.362 34.796 1.00 4.39 C ATOM 458 CG GLN A 60 5.336 49.199 33.983 1.00 3.32 C ATOM 459 CD GLN A 60 6.105 48.438 32.967 1.00 6.69 C ATOM 460 OE1 GLN A 60 5.929 47.295 32.663 1.00 6.76 O ATOM 461 NE2 GLN A 60 7.169 49.161 32.561 1.00 7.13 N ATOM 0 H GLN A 60 5.230 49.370 37.060 1.00 5.35 H new ATOM 0 HA GLN A 60 3.224 49.953 35.179 1.00 5.00 H new ATOM 0 HB2 GLN A 60 4.872 47.678 35.287 1.00 4.39 H new ATOM 0 HB3 GLN A 60 3.755 47.906 34.222 1.00 4.39 H new ATOM 0 HG2 GLN A 60 4.832 49.897 33.536 1.00 3.32 H new ATOM 0 HG3 GLN A 60 5.959 49.639 34.582 1.00 3.32 H new ATOM 0 HE21 GLN A 60 7.251 49.981 32.807 1.00 7.13 H new ATOM 0 HE22 GLN A 60 7.765 48.802 32.056 1.00 7.13 H new ATOM 462 N LYS A 61 1.893 47.600 36.168 1.00 3.59 N ATOM 463 CA LYS A 61 0.637 47.181 36.828 1.00 4.17 C ATOM 464 C LYS A 61 0.811 46.534 38.149 1.00 2.03 C ATOM 465 O LYS A 61 1.357 45.429 38.301 1.00 5.27 O ATOM 466 CB LYS A 61 -0.068 46.267 35.711 1.00 6.04 C ATOM 467 CG LYS A 61 -1.368 45.658 36.320 1.00 7.24 C ATOM 468 CD LYS A 61 -2.401 46.724 36.320 1.00 6.94 C ATOM 469 CE LYS A 61 -3.789 46.153 36.726 1.00 11.46 C ATOM 470 NZ LYS A 61 -4.734 47.257 37.031 1.00 9.43 N ATOM 0 H LYS A 61 2.181 47.076 35.550 1.00 3.59 H new ATOM 0 HA LYS A 61 0.086 47.936 37.089 1.00 4.17 H new ATOM 0 HB2 LYS A 61 -0.279 46.796 34.926 1.00 6.04 H new ATOM 0 HB3 LYS A 61 0.533 45.561 35.424 1.00 6.04 H new ATOM 0 HG2 LYS A 61 -1.664 44.895 35.799 1.00 7.24 H new ATOM 0 HG3 LYS A 61 -1.206 45.340 37.222 1.00 7.24 H new ATOM 0 HD2 LYS A 61 -2.144 47.428 36.936 1.00 6.94 H new ATOM 0 HD3 LYS A 61 -2.457 47.125 35.438 1.00 6.94 H new ATOM 0 HE2 LYS A 61 -4.143 45.606 36.007 1.00 11.46 H new ATOM 0 HE3 LYS A 61 -3.694 45.577 37.501 1.00 11.46 H new ATOM 0 HZ1 LYS A 61 -5.524 46.917 37.262 1.00 9.43 H new ATOM 0 HZ2 LYS A 61 -4.414 47.745 37.703 1.00 9.43 H new ATOM 0 HZ3 LYS A 61 -4.832 47.772 36.311 1.00 9.43 H new ATOM 471 N ASN A 62 0.322 47.257 39.216 1.00 2.81 N ATOM 472 CA ASN A 62 0.422 46.686 40.587 1.00 3.07 C ATOM 473 C ASN A 62 -0.316 45.353 40.689 1.00 3.68 C ATOM 474 O ASN A 62 -1.436 45.201 40.079 1.00 3.69 O ATOM 475 CB ASN A 62 -0.186 47.676 41.654 1.00 3.89 C ATOM 476 CG ASN A 62 -0.012 47.143 43.076 1.00 5.12 C ATOM 477 OD1 ASN A 62 -1.032 46.838 43.736 1.00 10.48 O ATOM 478 ND2 ASN A 62 1.241 47.105 43.533 1.00 3.54 N ATOM 0 H ASN A 62 -0.047 48.032 39.162 1.00 2.81 H new ATOM 0 HA ASN A 62 1.365 46.547 40.766 1.00 3.07 H new ATOM 0 HB2 ASN A 62 0.245 48.541 41.577 1.00 3.89 H new ATOM 0 HB3 ASN A 62 -1.129 47.811 41.471 1.00 3.89 H new ATOM 0 HD21 ASN A 62 1.397 46.856 44.341 1.00 3.54 H new ATOM 0 HD22 ASN A 62 1.893 47.330 43.019 1.00 3.54 H new ATOM 479 N VAL A 63 0.169 44.401 41.451 1.00 2.96 N ATOM 480 CA VAL A 63 -0.510 43.145 41.755 1.00 2.86 C ATOM 481 C VAL A 63 0.062 42.612 43.025 1.00 3.65 C ATOM 482 O VAL A 63 1.301 42.878 43.330 1.00 6.27 O ATOM 483 CB VAL A 63 -0.390 42.155 40.536 1.00 5.33 C ATOM 484 CG1 VAL A 63 1.086 41.698 40.333 1.00 5.58 C ATOM 485 CG2 VAL A 63 -1.261 40.898 40.790 1.00 4.71 C ATOM 0 H VAL A 63 0.940 44.463 41.828 1.00 2.96 H new ATOM 0 HA VAL A 63 -1.462 43.274 41.889 1.00 2.86 H new ATOM 0 HB VAL A 63 -0.694 42.622 39.742 1.00 5.33 H new ATOM 0 HG11 VAL A 63 1.136 41.090 39.579 1.00 5.58 H new ATOM 0 HG12 VAL A 63 1.644 42.473 40.161 1.00 5.58 H new ATOM 0 HG13 VAL A 63 1.398 41.246 41.133 1.00 5.58 H new ATOM 0 HG21 VAL A 63 -1.183 40.292 40.036 1.00 4.71 H new ATOM 0 HG22 VAL A 63 -0.958 40.451 41.596 1.00 4.71 H new ATOM 0 HG23 VAL A 63 -2.188 41.163 40.897 1.00 4.71 H new ATOM 486 N ALA A 64 -0.663 41.926 43.889 1.00 2.98 N ATOM 487 CA ALA A 64 -0.135 41.317 45.108 1.00 5.50 C ATOM 488 C ALA A 64 0.811 40.136 44.702 1.00 2.72 C ATOM 489 O ALA A 64 0.562 39.375 43.736 1.00 3.82 O ATOM 490 CB ALA A 64 -1.302 40.631 45.870 1.00 4.80 C ATOM 0 H ALA A 64 -1.506 41.794 43.784 1.00 2.98 H new ATOM 0 HA ALA A 64 0.310 41.998 45.636 1.00 5.50 H new ATOM 0 HB1 ALA A 64 -0.963 40.223 46.682 1.00 4.80 H new ATOM 0 HB2 ALA A 64 -1.974 41.293 46.098 1.00 4.80 H new ATOM 0 HB3 ALA A 64 -1.699 39.948 45.307 1.00 4.80 H new ATOM 491 N CYS A 65 1.916 40.098 45.362 1.00 2.84 N ATOM 492 CA CYS A 65 2.964 39.070 45.210 1.00 0.98 C ATOM 493 C CYS A 65 2.313 37.699 45.718 1.00 1.68 C ATOM 494 O CYS A 65 1.279 37.699 46.429 1.00 3.64 O ATOM 495 CB CYS A 65 4.171 39.260 46.124 1.00 3.93 C ATOM 496 SG CYS A 65 4.850 40.974 46.022 1.00 4.94 S ATOM 0 H CYS A 65 2.116 40.691 45.952 1.00 2.84 H new ATOM 0 HA CYS A 65 3.259 39.102 44.287 1.00 0.98 H new ATOM 0 HB2 CYS A 65 3.916 39.068 47.040 1.00 3.93 H new ATOM 0 HB3 CYS A 65 4.862 38.624 45.882 1.00 3.93 H new ATOM 497 N LYS A 66 2.963 36.633 45.311 1.00 3.46 N ATOM 498 CA LYS A 66 2.505 35.262 45.768 1.00 4.40 C ATOM 499 C LYS A 66 2.295 35.262 47.292 1.00 3.74 C ATOM 500 O LYS A 66 1.335 34.691 47.749 1.00 7.22 O ATOM 501 CB LYS A 66 3.671 34.272 45.514 1.00 6.83 C ATOM 502 CG LYS A 66 3.807 33.929 44.041 1.00 10.73 C ATOM 503 CD LYS A 66 4.944 32.901 43.787 1.00 9.70 C ATOM 504 CE LYS A 66 5.095 32.520 42.365 1.00 12.76 C ATOM 505 NZ LYS A 66 6.276 31.606 42.162 1.00 13.66 N ATOM 0 H LYS A 66 3.648 36.640 44.791 1.00 3.46 H new ATOM 0 HA LYS A 66 1.689 35.025 45.301 1.00 4.40 H new ATOM 0 HB2 LYS A 66 4.500 34.660 45.834 1.00 6.83 H new ATOM 0 HB3 LYS A 66 3.523 33.460 46.023 1.00 6.83 H new ATOM 0 HG2 LYS A 66 2.967 33.569 43.714 1.00 10.73 H new ATOM 0 HG3 LYS A 66 3.984 34.738 43.536 1.00 10.73 H new ATOM 0 HD2 LYS A 66 5.782 33.272 44.105 1.00 9.70 H new ATOM 0 HD3 LYS A 66 4.771 32.103 44.311 1.00 9.70 H new ATOM 0 HE2 LYS A 66 4.287 32.079 42.059 1.00 12.76 H new ATOM 0 HE3 LYS A 66 5.205 33.318 41.825 1.00 12.76 H new ATOM 0 HZ1 LYS A 66 6.343 31.394 41.300 1.00 13.66 H new ATOM 0 HZ2 LYS A 66 7.020 32.019 42.424 1.00 13.66 H new ATOM 0 HZ3 LYS A 66 6.164 30.865 42.642 1.00 13.66 H new ATOM 506 N ASN A 67 3.267 35.871 48.003 1.00 4.19 N ATOM 507 CA ASN A 67 3.190 35.871 49.477 1.00 6.49 C ATOM 508 C ASN A 67 2.185 36.900 50.086 1.00 6.63 C ATOM 509 O ASN A 67 2.108 36.976 51.356 1.00 9.31 O ATOM 510 CB ASN A 67 4.590 36.062 50.137 1.00 6.45 C ATOM 511 CG ASN A 67 5.033 37.509 50.137 1.00 16.08 C ATOM 512 OD1 ASN A 67 4.473 38.499 49.527 1.00 14.42 O ATOM 513 ND2 ASN A 67 6.152 37.737 50.848 1.00 17.48 N ATOM 0 H ASN A 67 3.949 36.272 47.667 1.00 4.19 H new ATOM 0 HA ASN A 67 2.844 34.989 49.686 1.00 6.49 H new ATOM 0 HB2 ASN A 67 4.562 35.735 51.050 1.00 6.45 H new ATOM 0 HB3 ASN A 67 5.245 35.526 49.663 1.00 6.45 H new ATOM 0 HD21 ASN A 67 6.481 38.531 50.890 1.00 17.48 H new ATOM 0 HD22 ASN A 67 6.539 37.089 51.261 1.00 17.48 H new ATOM 514 N GLY A 68 1.523 37.661 49.223 1.00 4.91 N ATOM 515 CA GLY A 68 0.489 38.575 49.731 1.00 6.28 C ATOM 516 C GLY A 68 0.976 40.060 49.781 1.00 2.38 C ATOM 517 O GLY A 68 0.031 40.898 49.883 1.00 4.15 O ATOM 0 H GLY A 68 1.645 37.671 48.372 1.00 4.91 H new ATOM 0 HA2 GLY A 68 -0.298 38.514 49.167 1.00 6.28 H new ATOM 0 HA3 GLY A 68 0.222 38.295 50.621 1.00 6.28 H new ATOM 518 N GLN A 69 2.215 40.289 49.781 1.00 4.99 N ATOM 519 CA GLN A 69 2.687 41.698 49.883 1.00 3.95 C ATOM 520 C GLN A 69 2.055 42.421 48.715 1.00 4.52 C ATOM 521 O GLN A 69 1.881 41.812 47.597 1.00 4.96 O ATOM 522 CB GLN A 69 4.192 41.774 49.781 1.00 6.03 C ATOM 523 CG GLN A 69 4.972 41.126 50.950 1.00 5.08 C ATOM 524 CD GLN A 69 6.463 41.279 50.696 1.00 17.65 C ATOM 525 OE1 GLN A 69 7.198 40.669 51.508 1.00 12.96 O ATOM 526 NE2 GLN A 69 6.996 42.040 49.680 1.00 8.70 N ATOM 0 H GLN A 69 2.832 39.692 49.726 1.00 4.99 H new ATOM 0 HA GLN A 69 2.441 42.090 50.736 1.00 3.95 H new ATOM 0 HB2 GLN A 69 4.467 41.348 48.954 1.00 6.03 H new ATOM 0 HB3 GLN A 69 4.450 42.707 49.719 1.00 6.03 H new ATOM 0 HG2 GLN A 69 4.730 41.548 51.789 1.00 5.08 H new ATOM 0 HG3 GLN A 69 4.740 40.187 51.028 1.00 5.08 H new ATOM 0 HE21 GLN A 69 6.476 42.451 49.132 1.00 8.70 H new ATOM 0 HE22 GLN A 69 7.849 42.104 49.593 1.00 8.70 H new ATOM 527 N THR A 70 1.893 43.716 48.867 1.00 2.91 N ATOM 528 CA THR A 70 1.231 44.516 47.800 1.00 1.57 C ATOM 529 C THR A 70 2.251 45.315 47.038 1.00 5.50 C ATOM 530 O THR A 70 1.766 46.191 46.276 1.00 6.19 O ATOM 531 CB THR A 70 0.108 45.353 48.410 1.00 10.25 C ATOM 532 OG1 THR A 70 0.770 46.153 49.477 1.00 6.38 O ATOM 533 CG2 THR A 70 -1.044 44.554 48.918 1.00 9.31 C ATOM 0 H THR A 70 2.145 44.164 49.556 1.00 2.91 H new ATOM 0 HA THR A 70 0.814 43.934 47.146 1.00 1.57 H new ATOM 0 HB THR A 70 -0.309 45.912 47.736 1.00 10.25 H new ATOM 0 HG1 THR A 70 0.201 46.642 49.855 1.00 6.38 H new ATOM 0 HG21 THR A 70 -1.713 45.150 49.289 1.00 9.31 H new ATOM 0 HG22 THR A 70 -1.432 44.046 48.189 1.00 9.31 H new ATOM 0 HG23 THR A 70 -0.737 43.945 49.608 1.00 9.31 H new ATOM 534 N ASN A 71 3.520 45.125 47.140 1.00 5.14 N ATOM 535 CA ASN A 71 4.525 45.848 46.327 1.00 4.36 C ATOM 536 C ASN A 71 5.044 45.087 45.159 1.00 3.62 C ATOM 537 O ASN A 71 6.211 45.239 44.803 1.00 3.34 O ATOM 538 CB ASN A 71 5.659 46.381 47.292 1.00 4.36 C ATOM 539 CG ASN A 71 6.484 45.239 47.800 1.00 4.03 C ATOM 540 OD1 ASN A 71 5.908 44.173 48.257 1.00 9.05 O ATOM 541 ND2 ASN A 71 7.842 45.391 47.800 1.00 7.39 N ATOM 0 H ASN A 71 3.866 44.562 47.691 1.00 5.14 H new ATOM 0 HA ASN A 71 4.085 46.601 45.902 1.00 4.36 H new ATOM 0 HB2 ASN A 71 6.224 47.012 46.820 1.00 4.36 H new ATOM 0 HB3 ASN A 71 5.261 46.858 48.037 1.00 4.36 H new ATOM 0 HD21 ASN A 71 8.345 44.766 48.111 1.00 7.39 H new ATOM 0 HD22 ASN A 71 8.194 46.111 47.489 1.00 7.39 H new ATOM 542 N CYS A 72 4.175 44.287 44.498 1.00 1.10 N ATOM 543 CA CYS A 72 4.562 43.564 43.279 1.00 0.85 C ATOM 544 C CYS A 72 3.989 44.249 42.111 1.00 2.45 C ATOM 545 O CYS A 72 2.941 45.011 42.162 1.00 2.26 O ATOM 546 CB CYS A 72 4.193 42.078 43.330 1.00 4.38 C ATOM 547 SG CYS A 72 5.504 41.050 44.092 1.00 5.11 S ATOM 0 H CYS A 72 3.362 44.156 44.745 1.00 1.10 H new ATOM 0 HA CYS A 72 5.529 43.577 43.205 1.00 0.85 H new ATOM 0 HB2 CYS A 72 3.370 41.970 43.832 1.00 4.38 H new ATOM 0 HB3 CYS A 72 4.020 41.760 42.430 1.00 4.38 H new ATOM 548 N TYR A 73 4.567 44.135 40.943 1.00 4.08 N ATOM 549 CA TYR A 73 4.260 44.744 39.673 1.00 3.24 C ATOM 550 C TYR A 73 4.455 43.716 38.504 1.00 0.49 C ATOM 551 O TYR A 73 5.503 43.107 38.454 1.00 1.05 O ATOM 552 CB TYR A 73 5.117 46.039 39.368 1.00 1.51 C ATOM 553 CG TYR A 73 4.849 47.029 40.485 1.00 1.29 C ATOM 554 CD1 TYR A 73 5.642 46.915 41.705 1.00 0.34 C ATOM 555 CD2 TYR A 73 3.772 47.905 40.435 1.00 2.41 C ATOM 556 CE1 TYR A 73 5.345 47.752 42.822 1.00 3.65 C ATOM 557 CE2 TYR A 73 3.503 48.742 41.552 1.00 2.84 C ATOM 558 CZ TYR A 73 4.298 48.704 42.670 1.00 5.26 C ATOM 559 OH TYR A 73 4.059 49.466 43.787 1.00 6.87 O ATOM 0 H TYR A 73 5.252 43.621 40.864 1.00 4.08 H new ATOM 0 HA TYR A 73 3.331 45.018 39.733 1.00 3.24 H new ATOM 0 HB2 TYR A 73 6.061 45.822 39.323 1.00 1.51 H new ATOM 0 HB3 TYR A 73 4.872 46.417 38.509 1.00 1.51 H new ATOM 0 HD1 TYR A 73 6.338 46.300 41.754 1.00 0.34 H new ATOM 0 HD2 TYR A 73 3.232 47.943 39.678 1.00 2.41 H new ATOM 0 HE1 TYR A 73 5.818 47.678 43.619 1.00 3.65 H new ATOM 0 HE2 TYR A 73 2.778 49.324 41.525 1.00 2.84 H new ATOM 0 HH TYR A 73 4.751 49.491 44.262 1.00 6.87 H new ATOM 560 N GLN A 74 3.468 43.792 37.641 1.00 1.91 N ATOM 561 CA GLN A 74 3.530 42.954 36.422 1.00 2.87 C ATOM 562 C GLN A 74 3.946 43.792 35.203 1.00 3.29 C ATOM 563 O GLN A 74 3.283 44.820 34.949 1.00 4.77 O ATOM 564 CB GLN A 74 2.217 42.231 36.168 1.00 3.47 C ATOM 565 CG GLN A 74 2.471 41.317 34.898 1.00 7.10 C ATOM 566 CD GLN A 74 1.291 40.365 34.695 1.00 9.10 C ATOM 567 OE1 GLN A 74 0.935 39.641 35.609 1.00 9.29 O ATOM 568 NE2 GLN A 74 0.822 40.365 33.475 1.00 10.24 N ATOM 0 H GLN A 74 2.773 44.293 37.718 1.00 1.91 H new ATOM 0 HA GLN A 74 4.208 42.275 36.568 1.00 2.87 H new ATOM 0 HB2 GLN A 74 1.959 41.697 36.936 1.00 3.47 H new ATOM 0 HB3 GLN A 74 1.498 42.861 36.006 1.00 3.47 H new ATOM 0 HG2 GLN A 74 2.589 41.870 34.110 1.00 7.10 H new ATOM 0 HG3 GLN A 74 3.290 40.810 35.014 1.00 7.10 H new ATOM 0 HE21 GLN A 74 1.136 40.915 32.894 1.00 10.24 H new ATOM 0 HE22 GLN A 74 0.199 39.815 33.254 1.00 10.24 H new ATOM 569 N SER A 75 4.936 43.335 34.441 1.00 3.56 N ATOM 570 CA SER A 75 5.338 44.135 33.272 1.00 3.95 C ATOM 571 C SER A 75 4.159 44.211 32.256 1.00 3.89 C ATOM 572 O SER A 75 3.511 43.183 32.053 1.00 7.07 O ATOM 573 CB SER A 75 6.593 43.487 32.612 1.00 5.44 C ATOM 574 OG SER A 75 6.373 42.155 32.053 1.00 3.73 O ATOM 0 H SER A 75 5.372 42.604 34.567 1.00 3.56 H new ATOM 0 HA SER A 75 5.561 45.037 33.551 1.00 3.95 H new ATOM 0 HB2 SER A 75 6.910 44.072 31.906 1.00 5.44 H new ATOM 0 HB3 SER A 75 7.300 43.433 33.274 1.00 5.44 H new ATOM 0 HG SER A 75 6.324 42.207 31.216 1.00 3.73 H new ATOM 575 N TYR A 76 4.028 45.353 31.596 1.00 4.39 N ATOM 576 CA TYR A 76 2.939 45.468 30.580 1.00 6.82 C ATOM 577 C TYR A 76 3.325 44.554 29.361 1.00 6.84 C ATOM 578 O TYR A 76 2.426 43.944 28.802 1.00 9.50 O ATOM 579 CB TYR A 76 2.807 46.915 30.123 1.00 5.97 C ATOM 580 CG TYR A 76 2.318 47.867 31.190 1.00 7.76 C ATOM 581 CD1 TYR A 76 1.180 47.600 31.952 1.00 12.69 C ATOM 582 CD2 TYR A 76 2.878 49.161 31.291 1.00 13.68 C ATOM 583 CE1 TYR A 76 0.691 48.552 32.815 1.00 11.88 C ATOM 584 CE2 TYR A 76 2.404 50.113 32.205 1.00 10.59 C ATOM 585 CZ TYR A 76 1.281 49.771 32.917 1.00 12.21 C ATOM 586 OH TYR A 76 0.836 50.761 33.831 1.00 15.52 O ATOM 0 H TYR A 76 4.521 46.050 31.699 1.00 4.39 H new ATOM 0 HA TYR A 76 2.090 45.189 30.958 1.00 6.82 H new ATOM 0 HB2 TYR A 76 3.670 47.221 29.803 1.00 5.97 H new ATOM 0 HB3 TYR A 76 2.197 46.950 29.370 1.00 5.97 H new ATOM 0 HD1 TYR A 76 0.752 46.778 31.876 1.00 12.69 H new ATOM 0 HD2 TYR A 76 3.585 49.389 30.732 1.00 13.68 H new ATOM 0 HE1 TYR A 76 -0.054 48.358 33.336 1.00 11.88 H new ATOM 0 HE2 TYR A 76 2.828 50.932 32.323 1.00 10.59 H new ATOM 0 HH TYR A 76 1.316 51.447 33.757 1.00 15.52 H new ATOM 587 N SER A 77 4.595 44.630 29.056 1.00 6.83 N ATOM 588 CA SER A 77 5.084 43.792 27.888 1.00 6.33 C ATOM 589 C SER A 77 5.689 42.459 28.243 1.00 8.18 C ATOM 590 O SER A 77 6.262 42.307 29.310 1.00 5.16 O ATOM 591 CB SER A 77 6.222 44.592 27.227 1.00 7.02 C ATOM 592 OG SER A 77 5.515 45.848 26.719 1.00 13.64 O ATOM 0 H SER A 77 5.185 45.112 29.455 1.00 6.83 H new ATOM 0 HA SER A 77 4.304 43.614 27.339 1.00 6.33 H new ATOM 0 HB2 SER A 77 6.924 44.807 27.861 1.00 7.02 H new ATOM 0 HB3 SER A 77 6.636 44.096 26.503 1.00 7.02 H new ATOM 0 HG SER A 77 6.072 46.349 26.340 1.00 13.64 H new ATOM 593 N THR A 78 5.661 41.507 27.329 1.00 5.59 N ATOM 594 CA THR A 78 6.399 40.251 27.532 1.00 8.14 C ATOM 595 C THR A 78 7.918 40.593 27.481 1.00 5.88 C ATOM 596 O THR A 78 8.333 41.583 26.770 1.00 5.89 O ATOM 597 CB THR A 78 6.106 39.108 26.516 1.00 11.52 C ATOM 598 OG1 THR A 78 6.596 39.565 25.246 1.00 13.78 O ATOM 599 CG2 THR A 78 4.674 38.689 26.567 1.00 13.53 C ATOM 0 H THR A 78 5.228 41.557 26.587 1.00 5.59 H new ATOM 0 HA THR A 78 6.103 39.899 28.386 1.00 8.14 H new ATOM 0 HB THR A 78 6.567 38.281 26.728 1.00 11.52 H new ATOM 0 HG1 THR A 78 6.459 38.975 24.664 1.00 13.78 H new ATOM 0 HG21 THR A 78 4.522 37.978 25.925 1.00 13.53 H new ATOM 0 HG22 THR A 78 4.461 38.371 27.458 1.00 13.53 H new ATOM 0 HG23 THR A 78 4.107 39.446 26.351 1.00 13.53 H new ATOM 600 N MET A 79 8.699 39.717 28.040 1.00 4.28 N ATOM 601 CA MET A 79 10.145 39.832 28.040 1.00 2.90 C ATOM 602 C MET A 79 10.780 38.461 27.786 1.00 3.54 C ATOM 603 O MET A 79 10.160 37.471 27.989 1.00 5.10 O ATOM 604 CB MET A 79 10.629 40.365 29.412 1.00 1.66 C ATOM 605 CG MET A 79 10.141 41.774 29.666 1.00 2.29 C ATOM 606 SD MET A 79 10.743 42.421 31.240 1.00 6.60 S ATOM 607 CE MET A 79 10.359 44.173 31.037 1.00 8.99 C ATOM 0 H MET A 79 8.408 39.016 28.444 1.00 4.28 H new ATOM 0 HA MET A 79 10.409 40.447 27.338 1.00 2.90 H new ATOM 0 HB2 MET A 79 10.312 39.780 30.117 1.00 1.66 H new ATOM 0 HB3 MET A 79 11.598 40.347 29.443 1.00 1.66 H new ATOM 0 HG2 MET A 79 10.435 42.353 28.945 1.00 2.29 H new ATOM 0 HG3 MET A 79 9.171 41.786 29.662 1.00 2.29 H new ATOM 0 HE1 MET A 79 10.635 44.659 31.830 1.00 8.99 H new ATOM 0 HE2 MET A 79 10.831 44.520 30.264 1.00 8.99 H new ATOM 0 HE3 MET A 79 9.404 44.282 30.908 1.00 8.99 H new ATOM 608 N SER A 80 11.991 38.575 27.278 1.00 3.80 N ATOM 609 CA SER A 80 12.803 37.356 27.024 1.00 1.77 C ATOM 610 C SER A 80 13.287 36.900 28.396 1.00 0.98 C ATOM 611 O SER A 80 13.994 37.699 29.107 1.00 3.87 O ATOM 612 CB SER A 80 13.956 37.661 26.110 1.00 8.29 C ATOM 613 OG SER A 80 14.871 36.481 26.110 1.00 3.99 O ATOM 0 H SER A 80 12.370 39.319 27.072 1.00 3.80 H new ATOM 0 HA SER A 80 12.288 36.663 26.582 1.00 1.77 H new ATOM 0 HB2 SER A 80 13.638 37.843 25.212 1.00 8.29 H new ATOM 0 HB3 SER A 80 14.426 38.454 26.411 1.00 8.29 H new ATOM 0 HG SER A 80 15.551 36.653 25.647 1.00 3.99 H new ATOM 614 N ILE A 81 12.947 35.681 28.751 1.00 5.69 N ATOM 615 CA ILE A 81 13.445 35.148 30.072 1.00 3.68 C ATOM 616 C ILE A 81 13.918 33.701 29.869 1.00 3.73 C ATOM 617 O ILE A 81 13.581 32.939 29.005 1.00 3.89 O ATOM 618 CB ILE A 81 12.366 35.148 31.139 1.00 4.82 C ATOM 619 CG1 ILE A 81 11.142 34.310 30.986 1.00 7.05 C ATOM 620 CG2 ILE A 81 11.805 36.633 31.342 1.00 3.61 C ATOM 621 CD1 ILE A 81 11.244 32.863 31.444 1.00 8.14 C ATOM 0 H ILE A 81 12.456 35.145 28.291 1.00 5.69 H new ATOM 0 HA ILE A 81 14.164 35.726 30.371 1.00 3.68 H new ATOM 0 HB ILE A 81 12.863 34.753 31.872 1.00 4.82 H new ATOM 0 HG12 ILE A 81 10.421 34.733 31.478 1.00 7.05 H new ATOM 0 HG13 ILE A 81 10.887 34.314 30.050 1.00 7.05 H new ATOM 0 HG21 ILE A 81 11.116 36.628 32.025 1.00 3.61 H new ATOM 0 HG22 ILE A 81 12.528 37.218 31.617 1.00 3.61 H new ATOM 0 HG23 ILE A 81 11.430 36.955 30.507 1.00 3.61 H new ATOM 0 HD11 ILE A 81 10.395 32.417 31.298 1.00 8.14 H new ATOM 0 HD12 ILE A 81 11.937 32.411 30.938 1.00 8.14 H new ATOM 0 HD13 ILE A 81 11.465 32.837 32.388 1.00 8.14 H new ATOM 622 N THR A 82 14.845 33.358 30.834 1.00 1.56 N ATOM 623 CA THR A 82 15.347 31.987 30.936 1.00 4.82 C ATOM 624 C THR A 82 14.975 31.416 32.307 1.00 3.73 C ATOM 625 O THR A 82 15.415 32.025 33.323 1.00 4.03 O ATOM 626 CB THR A 82 16.808 31.797 30.682 1.00 5.27 C ATOM 627 OG1 THR A 82 17.180 32.330 29.412 1.00 4.11 O ATOM 628 CG2 THR A 82 17.221 30.312 30.682 1.00 4.99 C ATOM 0 H THR A 82 15.171 33.906 31.411 1.00 1.56 H new ATOM 0 HA THR A 82 14.916 31.505 30.213 1.00 4.82 H new ATOM 0 HB THR A 82 17.258 32.261 31.405 1.00 5.27 H new ATOM 0 HG1 THR A 82 16.577 32.165 28.851 1.00 4.11 H new ATOM 0 HG21 THR A 82 18.174 30.241 30.514 1.00 4.99 H new ATOM 0 HG22 THR A 82 17.015 29.919 31.544 1.00 4.99 H new ATOM 0 HG23 THR A 82 16.734 29.841 29.988 1.00 4.99 H new ATOM 629 N ASP A 83 14.252 30.350 32.358 1.00 5.10 N ATOM 630 CA ASP A 83 13.850 29.702 33.628 1.00 6.36 C ATOM 631 C ASP A 83 14.942 28.636 33.831 1.00 4.07 C ATOM 632 O ASP A 83 15.298 27.913 32.917 1.00 5.98 O ATOM 633 CB ASP A 83 12.449 29.093 33.475 1.00 8.52 C ATOM 634 CG ASP A 83 12.018 28.332 34.745 1.00 13.22 C ATOM 635 OD1 ASP A 83 12.431 27.113 34.847 1.00 12.27 O ATOM 636 OD2 ASP A 83 11.234 28.903 35.507 1.00 14.73 O ATOM 0 H ASP A 83 13.957 29.948 31.657 1.00 5.10 H new ATOM 0 HA ASP A 83 13.787 30.302 34.388 1.00 6.36 H new ATOM 0 HB2 ASP A 83 11.809 29.797 33.286 1.00 8.52 H new ATOM 0 HB3 ASP A 83 12.439 28.489 32.716 1.00 8.52 H new ATOM 637 N CYS A 84 15.396 28.522 35.101 1.00 3.49 N ATOM 638 CA CYS A 84 16.473 27.532 35.355 1.00 1.85 C ATOM 639 C CYS A 84 15.880 26.732 36.574 1.00 5.51 C ATOM 640 O CYS A 84 15.405 27.341 37.590 1.00 5.20 O ATOM 641 CB CYS A 84 17.799 28.179 35.863 1.00 4.11 C ATOM 642 SG CYS A 84 18.570 29.169 34.644 1.00 4.61 S ATOM 0 H CYS A 84 15.120 28.970 35.781 1.00 3.49 H new ATOM 0 HA CYS A 84 16.691 27.036 34.551 1.00 1.85 H new ATOM 0 HB2 CYS A 84 17.612 28.721 36.645 1.00 4.11 H new ATOM 0 HB3 CYS A 84 18.411 27.480 36.142 1.00 4.11 H new ATOM 643 N ARG A 85 15.909 25.437 36.472 1.00 3.60 N ATOM 644 CA ARG A 85 15.346 24.600 37.590 1.00 5.70 C ATOM 645 C ARG A 85 16.290 23.419 37.692 1.00 3.50 C ATOM 646 O ARG A 85 16.735 22.848 36.676 1.00 3.35 O ATOM 647 CB ARG A 85 13.931 24.028 37.184 1.00 9.80 C ATOM 648 CG ARG A 85 12.867 24.904 37.793 1.00 18.19 C ATOM 649 CD ARG A 85 11.555 24.485 37.133 1.00 18.35 C ATOM 650 NE ARG A 85 10.833 25.742 36.879 1.00 23.56 N ATOM 651 CZ ARG A 85 10.122 26.389 37.793 1.00 25.49 C ATOM 652 NH1 ARG A 85 9.677 25.780 38.911 1.00 26.79 N ATOM 653 NH2 ARG A 85 9.725 27.646 37.539 1.00 25.50 N ATOM 0 H ARG A 85 16.230 24.999 35.805 1.00 3.60 H new ATOM 0 HA ARG A 85 15.257 25.114 38.408 1.00 5.70 H new ATOM 0 HB2 ARG A 85 13.840 24.009 36.218 1.00 9.80 H new ATOM 0 HB3 ARG A 85 13.835 23.115 37.496 1.00 9.80 H new ATOM 0 HG2 ARG A 85 12.826 24.785 38.755 1.00 18.19 H new ATOM 0 HG3 ARG A 85 13.054 25.842 37.631 1.00 18.19 H new ATOM 0 HD2 ARG A 85 11.717 24.001 36.308 1.00 18.35 H new ATOM 0 HD3 ARG A 85 11.044 23.898 37.711 1.00 18.35 H new ATOM 0 HE ARG A 85 10.875 26.078 36.089 1.00 23.56 H new ATOM 0 HH11 ARG A 85 9.852 24.949 39.047 1.00 26.79 H new ATOM 0 HH12 ARG A 85 9.218 26.223 39.488 1.00 26.79 H new ATOM 0 HH21 ARG A 85 9.932 28.020 36.793 1.00 25.50 H new ATOM 0 HH22 ARG A 85 9.263 28.077 38.123 1.00 25.50 H new ATOM 654 N GLU A 86 16.509 22.924 38.962 1.00 5.03 N ATOM 655 CA GLU A 86 17.364 21.782 39.063 1.00 4.75 C ATOM 656 C GLU A 86 16.872 20.540 38.329 1.00 4.19 C ATOM 657 O GLU A 86 15.662 20.276 38.253 1.00 7.27 O ATOM 658 CB GLU A 86 17.479 21.287 40.587 1.00 7.74 C ATOM 659 CG GLU A 86 18.417 22.145 41.423 1.00 6.60 C ATOM 660 CD GLU A 86 18.619 21.573 42.816 1.00 6.78 C ATOM 661 OE1 GLU A 86 17.659 21.638 43.670 1.00 9.13 O ATOM 662 OE2 GLU A 86 19.741 21.022 43.121 1.00 6.43 O ATOM 0 H GLU A 86 16.184 23.232 39.696 1.00 5.03 H new ATOM 0 HA GLU A 86 18.195 22.099 38.675 1.00 4.75 H new ATOM 0 HB2 GLU A 86 16.597 21.293 40.991 1.00 7.74 H new ATOM 0 HB3 GLU A 86 17.791 20.369 40.601 1.00 7.74 H new ATOM 0 HG2 GLU A 86 19.275 22.216 40.976 1.00 6.60 H new ATOM 0 HG3 GLU A 86 18.058 23.043 41.492 1.00 6.60 H new ATOM 663 N THR A 87 17.864 19.812 37.824 1.00 2.60 N ATOM 664 CA THR A 87 17.650 18.500 37.202 1.00 4.60 C ATOM 665 C THR A 87 17.612 17.476 38.321 1.00 4.32 C ATOM 666 O THR A 87 18.007 17.757 39.462 1.00 7.21 O ATOM 667 CB THR A 87 18.793 18.111 36.250 1.00 12.59 C ATOM 668 OG1 THR A 87 20.002 17.939 36.983 1.00 16.67 O ATOM 669 CG2 THR A 87 19.040 19.141 35.154 1.00 3.60 C ATOM 0 H THR A 87 18.686 20.064 37.831 1.00 2.60 H new ATOM 0 HA THR A 87 16.829 18.532 36.687 1.00 4.60 H new ATOM 0 HB THR A 87 18.519 17.283 35.825 1.00 12.59 H new ATOM 0 HG1 THR A 87 20.621 17.725 36.457 1.00 16.67 H new ATOM 0 HG21 THR A 87 19.769 18.843 34.587 1.00 3.60 H new ATOM 0 HG22 THR A 87 18.237 19.244 34.620 1.00 3.60 H new ATOM 0 HG23 THR A 87 19.272 19.993 35.556 1.00 3.60 H new ATOM 670 N GLY A 88 17.148 16.308 37.988 1.00 4.72 N ATOM 671 CA GLY A 88 17.040 15.232 38.962 1.00 4.89 C ATOM 672 C GLY A 88 18.426 14.813 39.470 1.00 3.00 C ATOM 673 O GLY A 88 18.526 14.318 40.638 1.00 5.46 O ATOM 0 H GLY A 88 16.883 16.102 37.196 1.00 4.72 H new ATOM 0 HA2 GLY A 88 16.491 15.520 39.708 1.00 4.89 H new ATOM 0 HA3 GLY A 88 16.595 14.470 38.560 1.00 4.89 H new ATOM 674 N SER A 89 19.445 14.965 38.708 1.00 3.14 N ATOM 675 CA SER A 89 20.847 14.623 38.962 1.00 4.22 C ATOM 676 C SER A 89 21.627 15.727 39.723 1.00 2.63 C ATOM 677 O SER A 89 22.747 15.422 40.231 1.00 7.33 O ATOM 678 CB SER A 89 21.602 14.356 37.692 1.00 4.64 C ATOM 679 OG SER A 89 21.087 13.023 37.234 1.00 8.09 O ATOM 0 H SER A 89 19.351 15.311 37.926 1.00 3.14 H new ATOM 0 HA SER A 89 20.796 13.825 39.512 1.00 4.22 H new ATOM 0 HB2 SER A 89 21.438 15.046 37.030 1.00 4.64 H new ATOM 0 HB3 SER A 89 22.559 14.332 37.847 1.00 4.64 H new ATOM 0 HG SER A 89 21.468 12.806 36.518 1.00 8.09 H new ATOM 680 N SER A 90 21.051 16.869 39.876 1.00 4.50 N ATOM 681 CA SER A 90 21.758 17.974 40.587 1.00 1.03 C ATOM 682 C SER A 90 22.108 17.517 42.009 1.00 3.89 C ATOM 683 O SER A 90 21.103 17.174 42.721 1.00 6.25 O ATOM 684 CB SER A 90 20.798 19.192 40.638 1.00 1.95 C ATOM 685 OG SER A 90 21.461 20.297 41.197 1.00 4.94 O ATOM 0 H SER A 90 20.262 17.062 39.594 1.00 4.50 H new ATOM 0 HA SER A 90 22.578 18.215 40.128 1.00 1.03 H new ATOM 0 HB2 SER A 90 20.488 19.408 39.744 1.00 1.95 H new ATOM 0 HB3 SER A 90 20.013 18.974 41.165 1.00 1.95 H new ATOM 0 HG SER A 90 20.994 20.621 41.816 1.00 4.94 H new ATOM 686 N LYS A 91 23.377 17.669 42.314 1.00 4.57 N ATOM 687 CA LYS A 91 23.831 17.288 43.686 1.00 5.75 C ATOM 688 C LYS A 91 25.040 18.202 43.990 1.00 3.81 C ATOM 689 O LYS A 91 26.074 18.088 43.381 1.00 7.01 O ATOM 690 CB LYS A 91 24.258 15.841 43.838 1.00 4.51 C ATOM 691 CG LYS A 91 24.402 15.499 45.362 1.00 2.59 C ATOM 692 CD LYS A 91 24.683 13.975 45.413 1.00 8.09 C ATOM 693 CE LYS A 91 24.664 13.518 46.886 1.00 12.80 C ATOM 694 NZ LYS A 91 25.946 13.937 47.546 1.00 9.00 N ATOM 0 H LYS A 91 23.985 17.974 41.788 1.00 4.57 H new ATOM 0 HA LYS A 91 23.084 17.394 44.296 1.00 5.75 H new ATOM 0 HB2 LYS A 91 23.604 15.255 43.425 1.00 4.51 H new ATOM 0 HB3 LYS A 91 25.101 15.692 43.382 1.00 4.51 H new ATOM 0 HG2 LYS A 91 25.126 16.002 45.767 1.00 2.59 H new ATOM 0 HG3 LYS A 91 23.594 15.723 45.849 1.00 2.59 H new ATOM 0 HD2 LYS A 91 24.014 13.492 44.903 1.00 8.09 H new ATOM 0 HD3 LYS A 91 25.543 13.778 45.011 1.00 8.09 H new ATOM 0 HE2 LYS A 91 23.906 13.909 47.348 1.00 12.80 H new ATOM 0 HE3 LYS A 91 24.561 12.555 46.936 1.00 12.80 H new ATOM 0 HZ1 LYS A 91 25.941 13.676 48.397 1.00 9.00 H new ATOM 0 HZ2 LYS A 91 26.634 13.561 47.125 1.00 9.00 H new ATOM 0 HZ3 LYS A 91 26.024 14.823 47.508 1.00 9.00 H new ATOM 695 N TYR A 92 24.816 18.964 45.057 1.00 2.42 N ATOM 696 CA TYR A 92 25.848 19.916 45.565 1.00 5.11 C ATOM 697 C TYR A 92 27.205 19.230 45.667 1.00 4.56 C ATOM 698 O TYR A 92 27.144 18.164 46.378 1.00 5.83 O ATOM 699 CB TYR A 92 25.387 20.677 46.835 1.00 4.00 C ATOM 700 CG TYR A 92 26.404 21.744 47.292 1.00 1.58 C ATOM 701 CD1 TYR A 92 27.450 21.325 48.156 1.00 8.92 C ATOM 702 CD2 TYR A 92 26.420 23.000 46.835 1.00 5.21 C ATOM 703 CE1 TYR A 92 28.379 22.277 48.613 1.00 5.88 C ATOM 704 CE2 TYR A 92 27.349 23.952 47.191 1.00 5.73 C ATOM 705 CZ TYR A 92 28.365 23.572 48.054 1.00 4.22 C ATOM 706 OH TYR A 92 29.264 24.485 48.511 1.00 7.16 O ATOM 0 H TYR A 92 24.084 18.957 45.509 1.00 2.42 H new ATOM 0 HA TYR A 92 25.965 20.627 44.915 1.00 5.11 H new ATOM 0 HB2 TYR A 92 24.533 21.103 46.660 1.00 4.00 H new ATOM 0 HB3 TYR A 92 25.245 20.042 47.554 1.00 4.00 H new ATOM 0 HD1 TYR A 92 27.520 20.435 48.416 1.00 8.92 H new ATOM 0 HD2 TYR A 92 25.756 23.249 46.233 1.00 5.21 H new ATOM 0 HE1 TYR A 92 28.994 22.056 49.275 1.00 5.88 H new ATOM 0 HE2 TYR A 92 27.297 24.821 46.863 1.00 5.73 H new ATOM 0 HH TYR A 92 29.093 25.237 48.178 1.00 7.16 H new ATOM 707 N PRO A 93 28.327 19.802 45.260 1.00 5.05 N ATOM 708 CA PRO A 93 28.506 21.058 44.651 1.00 5.62 C ATOM 709 C PRO A 93 28.303 21.058 43.127 1.00 6.87 C ATOM 710 O PRO A 93 28.422 22.124 42.517 1.00 7.20 O ATOM 711 CB PRO A 93 29.996 21.439 44.905 1.00 6.21 C ATOM 712 CG PRO A 93 30.704 20.068 44.905 1.00 7.32 C ATOM 713 CD PRO A 93 29.655 19.192 45.565 1.00 3.23 C ATOM 0 HA PRO A 93 27.850 21.668 45.023 1.00 5.62 H new ATOM 0 HB2 PRO A 93 30.342 22.023 44.212 1.00 6.21 H new ATOM 0 HB3 PRO A 93 30.110 21.903 45.749 1.00 6.21 H new ATOM 0 HG2 PRO A 93 30.920 19.768 44.008 1.00 7.32 H new ATOM 0 HG3 PRO A 93 31.534 20.085 45.406 1.00 7.32 H new ATOM 0 HD2 PRO A 93 29.702 18.284 45.226 1.00 3.23 H new ATOM 0 HD3 PRO A 93 29.800 19.145 46.523 1.00 3.23 H new ATOM 714 N ASN A 94 27.920 19.916 42.619 1.00 6.84 N ATOM 715 CA ASN A 94 27.658 19.764 41.197 1.00 4.71 C ATOM 716 C ASN A 94 26.154 19.992 40.892 1.00 4.07 C ATOM 717 O ASN A 94 25.358 19.116 40.485 1.00 4.46 O ATOM 718 CB ASN A 94 28.102 18.393 40.689 1.00 8.58 C ATOM 719 CG ASN A 94 29.592 18.164 40.943 1.00 17.29 C ATOM 720 OD1 ASN A 94 30.360 19.040 40.638 1.00 16.03 O ATOM 721 ND2 ASN A 94 29.930 17.022 41.501 1.00 27.36 N ATOM 0 H ASN A 94 27.802 19.200 43.081 1.00 6.84 H new ATOM 0 HA ASN A 94 28.177 20.437 40.729 1.00 4.71 H new ATOM 0 HB2 ASN A 94 27.586 17.700 41.129 1.00 8.58 H new ATOM 0 HB3 ASN A 94 27.919 18.323 39.739 1.00 8.58 H new ATOM 0 HD21 ASN A 94 30.756 16.856 41.675 1.00 27.36 H new ATOM 0 HD22 ASN A 94 29.325 16.441 41.692 1.00 27.36 H new ATOM 722 N CYS A 95 25.873 21.287 41.044 1.00 2.69 N ATOM 723 CA CYS A 95 24.501 21.782 40.790 1.00 3.35 C ATOM 724 C CYS A 95 24.195 21.744 39.317 1.00 5.83 C ATOM 725 O CYS A 95 25.067 22.201 38.555 1.00 9.59 O ATOM 726 CB CYS A 95 24.412 23.191 41.298 1.00 1.66 C ATOM 727 SG CYS A 95 24.732 23.267 43.127 1.00 5.14 S ATOM 0 H CYS A 95 26.440 21.887 41.286 1.00 2.69 H new ATOM 0 HA CYS A 95 23.856 21.219 41.245 1.00 3.35 H new ATOM 0 HB2 CYS A 95 25.055 23.747 40.831 1.00 1.66 H new ATOM 0 HB3 CYS A 95 23.532 23.552 41.106 1.00 1.66 H new ATOM 728 N ALA A 96 23.060 21.287 38.962 1.00 4.56 N ATOM 729 CA ALA A 96 22.753 21.096 37.488 1.00 4.70 C ATOM 730 C ALA A 96 21.308 21.515 37.285 1.00 3.40 C ATOM 731 O ALA A 96 20.362 21.249 38.098 1.00 4.26 O ATOM 732 CB ALA A 96 23.049 19.687 37.082 1.00 5.92 C ATOM 0 H ALA A 96 22.427 21.068 39.501 1.00 4.56 H new ATOM 0 HA ALA A 96 23.312 21.643 36.914 1.00 4.70 H new ATOM 0 HB1 ALA A 96 22.850 19.573 36.139 1.00 5.92 H new ATOM 0 HB2 ALA A 96 23.987 19.495 37.240 1.00 5.92 H new ATOM 0 HB3 ALA A 96 22.502 19.078 37.603 1.00 5.92 H new ATOM 733 N TYR A 97 21.089 22.163 36.117 1.00 2.41 N ATOM 734 CA TYR A 97 19.836 22.734 35.761 1.00 2.55 C ATOM 735 C TYR A 97 19.293 22.505 34.390 1.00 2.91 C ATOM 736 O TYR A 97 20.166 22.429 33.425 1.00 3.66 O ATOM 737 CB TYR A 97 20.057 24.295 35.914 1.00 1.83 C ATOM 738 CG TYR A 97 20.363 24.790 37.387 1.00 2.30 C ATOM 739 CD1 TYR A 97 21.720 24.676 37.793 1.00 3.67 C ATOM 740 CD2 TYR A 97 19.343 25.019 38.250 1.00 5.51 C ATOM 741 CE1 TYR A 97 22.012 25.019 39.114 1.00 3.05 C ATOM 742 CE2 TYR A 97 19.606 25.361 39.571 1.00 2.24 C ATOM 743 CZ TYR A 97 20.977 25.323 40.028 1.00 0.21 C ATOM 744 OH TYR A 97 21.284 25.590 41.298 1.00 5.65 O ATOM 0 H TYR A 97 21.697 22.268 35.518 1.00 2.41 H new ATOM 0 HA TYR A 97 19.180 22.304 36.332 1.00 2.55 H new ATOM 0 HB2 TYR A 97 20.792 24.561 35.339 1.00 1.83 H new ATOM 0 HB3 TYR A 97 19.265 24.753 35.592 1.00 1.83 H new ATOM 0 HD1 TYR A 97 22.382 24.387 37.207 1.00 3.67 H new ATOM 0 HD2 TYR A 97 18.463 24.947 37.957 1.00 5.51 H new ATOM 0 HE1 TYR A 97 22.898 25.048 39.396 1.00 3.05 H new ATOM 0 HE2 TYR A 97 18.918 25.608 40.146 1.00 2.24 H new ATOM 0 HH TYR A 97 20.593 25.835 41.708 1.00 5.65 H new ATOM 745 N LYS A 98 17.980 22.543 34.339 1.00 1.83 N ATOM 746 CA LYS A 98 17.275 22.505 33.018 1.00 3.03 C ATOM 747 C LYS A 98 17.069 24.028 32.713 1.00 1.84 C ATOM 748 O LYS A 98 16.448 24.790 33.425 1.00 3.08 O ATOM 749 CB LYS A 98 15.932 21.858 33.171 1.00 4.22 C ATOM 750 CG LYS A 98 14.976 22.086 31.901 1.00 8.91 C ATOM 751 CD LYS A 98 15.524 21.325 30.732 1.00 11.28 C ATOM 752 CE LYS A 98 14.465 21.249 29.615 1.00 18.21 C ATOM 753 NZ LYS A 98 14.053 22.543 29.005 1.00 18.18 N ATOM 0 H LYS A 98 17.465 22.590 35.026 1.00 1.83 H new ATOM 0 HA LYS A 98 17.758 22.015 32.334 1.00 3.03 H new ATOM 0 HB2 LYS A 98 16.052 20.906 33.312 1.00 4.22 H new ATOM 0 HB3 LYS A 98 15.498 22.210 33.964 1.00 4.22 H new ATOM 0 HG2 LYS A 98 14.075 21.787 32.102 1.00 8.91 H new ATOM 0 HG3 LYS A 98 14.921 23.031 31.689 1.00 8.91 H new ATOM 0 HD2 LYS A 98 16.326 21.759 30.400 1.00 11.28 H new ATOM 0 HD3 LYS A 98 15.779 20.431 31.008 1.00 11.28 H new ATOM 0 HE2 LYS A 98 14.806 20.676 28.911 1.00 18.21 H new ATOM 0 HE3 LYS A 98 13.674 20.817 29.974 1.00 18.21 H new ATOM 0 HZ1 LYS A 98 13.901 22.427 28.136 1.00 18.18 H new ATOM 0 HZ2 LYS A 98 13.310 22.834 29.399 1.00 18.18 H new ATOM 0 HZ3 LYS A 98 14.701 23.143 29.115 1.00 18.18 H new ATOM 754 N THR A 99 17.515 24.295 31.393 1.00 3.85 N ATOM 755 CA THR A 99 17.309 25.666 30.885 1.00 3.36 C ATOM 756 C THR A 99 16.028 25.742 30.021 1.00 3.78 C ATOM 757 O THR A 99 15.838 24.904 29.056 1.00 6.63 O ATOM 758 CB THR A 99 18.492 25.971 29.970 1.00 5.42 C ATOM 759 OG1 THR A 99 19.715 25.971 30.732 1.00 4.18 O ATOM 760 CG2 THR A 99 18.317 27.303 29.259 1.00 4.68 C ATOM 0 H THR A 99 17.894 23.737 30.859 1.00 3.85 H new ATOM 0 HA THR A 99 17.230 26.286 31.627 1.00 3.36 H new ATOM 0 HB THR A 99 18.534 25.278 29.293 1.00 5.42 H new ATOM 0 HG1 THR A 99 20.244 25.402 30.413 1.00 4.18 H new ATOM 0 HG21 THR A 99 19.083 27.468 28.687 1.00 4.68 H new ATOM 0 HG22 THR A 99 17.511 27.279 28.720 1.00 4.68 H new ATOM 0 HG23 THR A 99 18.246 28.014 29.915 1.00 4.68 H new ATOM 761 N THR A 100 15.127 26.656 30.275 1.00 3.17 N ATOM 762 CA THR A 100 13.845 26.770 29.513 1.00 5.01 C ATOM 763 C THR A 100 13.787 28.293 29.107 1.00 8.11 C ATOM 764 O THR A 100 13.519 29.093 30.021 1.00 7.81 O ATOM 765 CB THR A 100 12.633 26.351 30.326 1.00 10.79 C ATOM 766 OG1 THR A 100 12.928 25.019 30.732 1.00 10.28 O ATOM 767 CG2 THR A 100 11.367 26.275 29.412 1.00 8.75 C ATOM 0 H THR A 100 15.216 27.246 30.894 1.00 3.17 H new ATOM 0 HA THR A 100 13.824 26.174 28.748 1.00 5.01 H new ATOM 0 HB THR A 100 12.462 26.969 31.054 1.00 10.79 H new ATOM 0 HG1 THR A 100 12.293 24.719 31.193 1.00 10.28 H new ATOM 0 HG21 THR A 100 10.600 26.007 29.942 1.00 8.75 H new ATOM 0 HG22 THR A 100 11.199 27.146 29.019 1.00 8.75 H new ATOM 0 HG23 THR A 100 11.515 25.625 28.707 1.00 8.75 H new ATOM 768 N GLN A 101 13.849 28.522 27.786 1.00 8.95 N ATOM 769 CA GLN A 101 13.776 29.931 27.329 1.00 5.25 C ATOM 770 C GLN A 101 12.302 30.236 26.923 1.00 6.50 C ATOM 771 O GLN A 101 11.610 29.322 26.364 1.00 10.42 O ATOM 772 CB GLN A 101 14.650 30.007 26.059 1.00 8.02 C ATOM 773 CG GLN A 101 14.593 31.340 25.348 1.00 11.01 C ATOM 774 CD GLN A 101 15.063 32.520 26.161 1.00 10.25 C ATOM 775 OE1 GLN A 101 16.094 32.368 26.872 1.00 7.72 O ATOM 776 NE2 GLN A 101 14.340 33.701 26.008 1.00 4.36 N ATOM 0 H GLN A 101 13.928 27.925 27.172 1.00 8.95 H new ATOM 0 HA GLN A 101 14.067 30.554 28.013 1.00 5.25 H new ATOM 0 HB2 GLN A 101 15.571 29.819 26.300 1.00 8.02 H new ATOM 0 HB3 GLN A 101 14.370 29.311 25.444 1.00 8.02 H new ATOM 0 HG2 GLN A 101 15.131 31.285 24.543 1.00 11.01 H new ATOM 0 HG3 GLN A 101 13.679 31.502 25.067 1.00 11.01 H new ATOM 0 HE21 GLN A 101 13.645 33.717 25.501 1.00 4.36 H new ATOM 0 HE22 GLN A 101 14.588 34.414 26.420 1.00 4.36 H new ATOM 777 N ALA A 102 11.800 31.416 27.227 1.00 6.08 N ATOM 778 CA ALA A 102 10.384 31.721 26.923 1.00 7.92 C ATOM 779 C ALA A 102 10.222 33.244 26.872 1.00 5.67 C ATOM 780 O ALA A 102 11.106 33.967 27.278 1.00 8.11 O ATOM 781 CB ALA A 102 9.511 31.188 28.091 1.00 11.41 C ATOM 0 H ALA A 102 12.239 32.053 27.602 1.00 6.08 H new ATOM 0 HA ALA A 102 10.121 31.316 26.081 1.00 7.92 H new ATOM 0 HB1 ALA A 102 8.577 31.379 27.910 1.00 11.41 H new ATOM 0 HB2 ALA A 102 9.634 30.230 28.176 1.00 11.41 H new ATOM 0 HB3 ALA A 102 9.775 31.622 28.917 1.00 11.41 H new ATOM 782 N ASN A 103 9.101 33.701 26.364 1.00 7.15 N ATOM 783 CA ASN A 103 8.733 35.148 26.313 1.00 7.97 C ATOM 784 C ASN A 103 7.535 35.262 27.278 1.00 6.28 C ATOM 785 O ASN A 103 6.444 34.691 26.973 1.00 9.40 O ATOM 786 CB ASN A 103 8.426 35.605 24.840 1.00 13.42 C ATOM 787 CG ASN A 103 9.578 36.481 24.434 1.00 18.61 C ATOM 788 OD1 ASN A 103 10.744 36.138 24.383 1.00 17.61 O ATOM 789 ND2 ASN A 103 9.239 37.775 24.281 1.00 32.59 N ATOM 0 H ASN A 103 8.501 33.186 26.025 1.00 7.15 H new ATOM 0 HA ASN A 103 9.448 35.744 26.586 1.00 7.97 H new ATOM 0 HB2 ASN A 103 8.345 34.841 24.248 1.00 13.42 H new ATOM 0 HB3 ASN A 103 7.587 36.090 24.794 1.00 13.42 H new ATOM 0 HD21 ASN A 103 9.849 38.366 24.146 1.00 32.59 H new ATOM 0 HD22 ASN A 103 8.413 38.010 24.318 1.00 32.59 H new ATOM 790 N LYS A 104 7.710 35.833 28.396 1.00 6.27 N ATOM 791 CA LYS A 104 6.674 35.948 29.412 1.00 6.86 C ATOM 792 C LYS A 104 6.629 37.318 30.072 1.00 7.82 C ATOM 793 O LYS A 104 7.677 38.004 29.920 1.00 5.61 O ATOM 794 CB LYS A 104 7.085 34.957 30.631 1.00 6.40 C ATOM 795 CG LYS A 104 7.086 33.510 30.021 1.00 8.62 C ATOM 796 CD LYS A 104 5.655 33.053 30.072 1.00 17.22 C ATOM 797 CE LYS A 104 5.508 31.530 29.970 1.00 27.52 C ATOM 798 NZ LYS A 104 5.740 30.959 31.393 1.00 37.26 N ATOM 0 H LYS A 104 8.457 36.191 28.626 1.00 6.27 H new ATOM 0 HA LYS A 104 5.830 35.757 28.973 1.00 6.86 H new ATOM 0 HB2 LYS A 104 7.958 35.186 30.987 1.00 6.40 H new ATOM 0 HB3 LYS A 104 6.453 35.026 31.364 1.00 6.40 H new ATOM 0 HG2 LYS A 104 7.419 33.515 29.110 1.00 8.62 H new ATOM 0 HG3 LYS A 104 7.661 32.917 30.530 1.00 8.62 H new ATOM 0 HD2 LYS A 104 5.253 33.357 30.901 1.00 17.22 H new ATOM 0 HD3 LYS A 104 5.162 33.470 29.348 1.00 17.22 H new ATOM 0 HE2 LYS A 104 4.627 31.291 29.643 1.00 27.52 H new ATOM 0 HE3 LYS A 104 6.152 31.164 29.344 1.00 27.52 H new ATOM 0 HZ1 LYS A 104 5.662 30.073 31.374 1.00 37.26 H new ATOM 0 HZ2 LYS A 104 6.556 31.179 31.672 1.00 37.26 H new ATOM 0 HZ3 LYS A 104 5.135 31.297 31.951 1.00 37.26 H new ATOM 799 N HIS A 105 5.535 37.623 30.682 1.00 3.31 N ATOM 800 CA HIS A 105 5.445 38.842 31.494 1.00 4.66 C ATOM 801 C HIS A 105 6.180 38.499 32.815 1.00 5.17 C ATOM 802 O HIS A 105 6.179 37.318 33.221 1.00 4.90 O ATOM 803 CB HIS A 105 4.057 39.222 31.799 1.00 5.63 C ATOM 804 CG HIS A 105 3.367 39.717 30.529 1.00 7.89 C ATOM 805 ND1 HIS A 105 2.764 38.804 29.767 1.00 13.12 N ATOM 806 CD2 HIS A 105 3.265 40.974 29.970 1.00 6.66 C ATOM 807 CE1 HIS A 105 2.264 39.527 28.751 1.00 5.49 C ATOM 808 NE2 HIS A 105 2.574 40.822 28.802 1.00 9.56 N ATOM 0 H HIS A 105 4.816 37.153 30.655 1.00 3.31 H new ATOM 0 HA HIS A 105 5.831 39.592 31.015 1.00 4.66 H new ATOM 0 HB2 HIS A 105 3.577 38.462 32.163 1.00 5.63 H new ATOM 0 HB3 HIS A 105 4.044 39.916 32.476 1.00 5.63 H new ATOM 0 HD2 HIS A 105 3.600 41.768 30.319 1.00 6.66 H new ATOM 0 HE1 HIS A 105 1.747 39.157 28.072 1.00 5.49 H new ATOM 0 HE2 HIS A 105 2.381 41.430 28.225 1.00 9.56 H new ATOM 809 N ILE A 106 6.798 39.527 33.425 1.00 2.85 N ATOM 810 CA ILE A 106 7.488 39.260 34.695 1.00 4.43 C ATOM 811 C ILE A 106 6.733 40.022 35.761 1.00 3.96 C ATOM 812 O ILE A 106 6.070 41.012 35.609 1.00 3.23 O ATOM 813 CB ILE A 106 8.934 39.603 34.695 1.00 2.74 C ATOM 814 CG1 ILE A 106 9.245 41.050 34.339 1.00 4.43 C ATOM 815 CG2 ILE A 106 9.601 38.727 33.628 1.00 4.18 C ATOM 816 CD1 ILE A 106 10.690 41.545 34.644 1.00 4.83 C ATOM 0 H ILE A 106 6.829 40.338 33.139 1.00 2.85 H new ATOM 0 HA ILE A 106 7.484 38.304 34.861 1.00 4.43 H new ATOM 0 HB ILE A 106 9.258 39.459 35.598 1.00 2.74 H new ATOM 0 HG12 ILE A 106 9.075 41.173 33.392 1.00 4.43 H new ATOM 0 HG13 ILE A 106 8.622 41.621 34.815 1.00 4.43 H new ATOM 0 HG21 ILE A 106 10.551 38.922 33.597 1.00 4.18 H new ATOM 0 HG22 ILE A 106 9.470 37.792 33.849 1.00 4.18 H new ATOM 0 HG23 ILE A 106 9.204 38.913 32.762 1.00 4.18 H new ATOM 0 HD11 ILE A 106 10.777 42.474 34.379 1.00 4.83 H new ATOM 0 HD12 ILE A 106 10.867 41.462 35.594 1.00 4.83 H new ATOM 0 HD13 ILE A 106 11.328 41.007 34.149 1.00 4.83 H new ATOM 817 N ILE A 107 6.893 39.375 37.031 1.00 3.19 N ATOM 818 CA ILE A 107 6.270 40.022 38.149 1.00 1.99 C ATOM 819 C ILE A 107 7.449 40.174 39.165 1.00 2.61 C ATOM 820 O ILE A 107 8.038 39.146 39.571 1.00 3.87 O ATOM 821 CB ILE A 107 5.206 39.184 38.860 1.00 1.42 C ATOM 822 CG1 ILE A 107 4.058 38.994 37.844 1.00 3.00 C ATOM 823 CG2 ILE A 107 4.776 39.870 40.130 1.00 2.65 C ATOM 824 CD1 ILE A 107 2.803 38.270 38.200 1.00 7.51 C ATOM 0 H ILE A 107 7.320 38.646 37.188 1.00 3.19 H new ATOM 0 HA ILE A 107 5.828 40.831 37.848 1.00 1.99 H new ATOM 0 HB ILE A 107 5.535 38.314 39.136 1.00 1.42 H new ATOM 0 HG12 ILE A 107 3.796 39.880 37.548 1.00 3.00 H new ATOM 0 HG13 ILE A 107 4.436 38.538 37.076 1.00 3.00 H new ATOM 0 HG21 ILE A 107 4.102 39.334 40.575 1.00 2.65 H new ATOM 0 HG22 ILE A 107 5.542 39.977 40.715 1.00 2.65 H new ATOM 0 HG23 ILE A 107 4.407 40.742 39.918 1.00 2.65 H new ATOM 0 HD11 ILE A 107 2.209 38.256 37.434 1.00 7.51 H new ATOM 0 HD12 ILE A 107 3.017 37.360 38.459 1.00 7.51 H new ATOM 0 HD13 ILE A 107 2.367 38.722 38.939 1.00 7.51 H new ATOM 825 N VAL A 108 7.624 41.393 39.673 1.00 4.39 N ATOM 826 CA VAL A 108 8.758 41.660 40.638 1.00 4.03 C ATOM 827 C VAL A 108 8.224 42.497 41.755 1.00 3.01 C ATOM 828 O VAL A 108 7.236 43.183 41.603 1.00 2.71 O ATOM 829 CB VAL A 108 9.896 42.459 39.876 1.00 4.09 C ATOM 830 CG1 VAL A 108 10.533 41.698 38.708 1.00 4.86 C ATOM 831 CG2 VAL A 108 9.396 43.830 39.368 1.00 2.97 C ATOM 0 H VAL A 108 7.129 42.073 39.495 1.00 4.39 H new ATOM 0 HA VAL A 108 9.122 40.830 40.985 1.00 4.03 H new ATOM 0 HB VAL A 108 10.585 42.584 40.548 1.00 4.09 H new ATOM 0 HG11 VAL A 108 11.216 42.250 38.296 1.00 4.86 H new ATOM 0 HG12 VAL A 108 10.935 40.879 39.036 1.00 4.86 H new ATOM 0 HG13 VAL A 108 9.852 41.483 38.052 1.00 4.86 H new ATOM 0 HG21 VAL A 108 10.117 44.288 38.909 1.00 2.97 H new ATOM 0 HG22 VAL A 108 8.656 43.698 38.755 1.00 2.97 H new ATOM 0 HG23 VAL A 108 9.101 44.366 40.121 1.00 2.97 H new ATOM 832 N ALA A 109 8.915 42.383 42.924 1.00 2.88 N ATOM 833 CA ALA A 109 8.573 43.259 44.092 1.00 2.34 C ATOM 834 C ALA A 109 9.562 44.401 44.041 1.00 3.14 C ATOM 835 O ALA A 109 10.817 44.173 43.686 1.00 4.36 O ATOM 836 CB ALA A 109 8.747 42.497 45.413 1.00 3.71 C ATOM 0 H ALA A 109 9.559 41.829 43.060 1.00 2.88 H new ATOM 0 HA ALA A 109 7.652 43.560 44.048 1.00 2.34 H new ATOM 0 HB1 ALA A 109 8.521 43.080 46.155 1.00 3.71 H new ATOM 0 HB2 ALA A 109 8.162 41.724 45.420 1.00 3.71 H new ATOM 0 HB3 ALA A 109 9.668 42.206 45.500 1.00 3.71 H new ATOM 837 N CYS A 110 9.148 45.582 44.448 1.00 1.20 N ATOM 838 CA CYS A 110 9.989 46.762 44.397 1.00 2.83 C ATOM 839 C CYS A 110 10.000 47.448 45.768 1.00 3.85 C ATOM 840 O CYS A 110 9.040 47.410 46.530 1.00 5.68 O ATOM 841 CB CYS A 110 9.445 47.790 43.330 1.00 3.81 C ATOM 842 SG CYS A 110 9.331 46.953 41.705 1.00 4.50 S ATOM 0 H CYS A 110 8.362 45.726 44.766 1.00 1.20 H new ATOM 0 HA CYS A 110 10.885 46.484 44.150 1.00 2.83 H new ATOM 0 HB2 CYS A 110 8.574 48.122 43.598 1.00 3.81 H new ATOM 0 HB3 CYS A 110 10.036 48.557 43.272 1.00 3.81 H new ATOM 843 N GLU A 111 11.166 48.133 45.921 1.00 4.59 N ATOM 844 CA GLU A 111 11.340 48.857 47.241 1.00 5.12 C ATOM 845 C GLU A 111 12.388 49.923 46.988 1.00 6.81 C ATOM 846 O GLU A 111 13.143 49.809 46.022 1.00 6.49 O ATOM 847 CB GLU A 111 11.913 47.981 48.308 1.00 7.51 C ATOM 848 CG GLU A 111 11.307 46.686 48.664 1.00 12.38 C ATOM 849 CD GLU A 111 11.983 45.848 49.781 1.00 15.66 C ATOM 850 OE1 GLU A 111 13.192 46.343 50.086 1.00 22.61 O ATOM 851 OE2 GLU A 111 11.436 44.896 50.239 1.00 19.38 O ATOM 0 H GLU A 111 11.807 48.196 45.351 1.00 4.59 H new ATOM 0 HA GLU A 111 10.474 49.182 47.533 1.00 5.12 H new ATOM 0 HB2 GLU A 111 12.832 47.800 48.058 1.00 7.51 H new ATOM 0 HB3 GLU A 111 11.939 48.510 49.120 1.00 7.51 H new ATOM 0 HG2 GLU A 111 10.389 46.851 48.930 1.00 12.38 H new ATOM 0 HG3 GLU A 111 11.276 46.142 47.862 1.00 12.38 H new ATOM 852 N GLY A 112 12.342 50.913 47.851 1.00 7.58 N ATOM 853 CA GLY A 112 13.271 51.979 47.902 1.00 9.25 C ATOM 854 C GLY A 112 13.022 53.198 47.140 1.00 8.77 C ATOM 855 O GLY A 112 11.946 53.464 46.581 1.00 6.57 O ATOM 0 H GLY A 112 11.729 50.973 48.451 1.00 7.58 H new ATOM 0 HA2 GLY A 112 13.367 52.235 48.833 1.00 9.25 H new ATOM 0 HA3 GLY A 112 14.129 51.629 47.615 1.00 9.25 H new ATOM 856 N ASN A 113 14.070 54.074 47.191 1.00 10.88 N ATOM 857 CA ASN A 113 14.012 55.330 46.480 1.00 8.72 C ATOM 858 C ASN A 113 15.459 55.559 45.972 1.00 9.66 C ATOM 859 O ASN A 113 16.328 55.825 46.835 1.00 14.23 O ATOM 860 CB ASN A 113 13.332 56.511 47.191 1.00 17.04 C ATOM 861 CG ASN A 113 13.069 57.577 46.073 1.00 26.35 C ATOM 862 OD1 ASN A 113 14.014 58.224 45.768 1.00 25.89 O ATOM 863 ND2 ASN A 113 11.890 57.577 45.464 1.00 27.06 N ATOM 0 H ASN A 113 14.797 53.939 47.630 1.00 10.88 H new ATOM 0 HA ASN A 113 13.386 55.275 45.741 1.00 8.72 H new ATOM 0 HB2 ASN A 113 12.503 56.235 47.612 1.00 17.04 H new ATOM 0 HB3 ASN A 113 13.899 56.871 47.891 1.00 17.04 H new ATOM 0 HD21 ASN A 113 11.760 58.081 44.779 1.00 27.06 H new ATOM 0 HD22 ASN A 113 11.256 57.073 45.754 1.00 27.06 H new ATOM 864 N PRO A 114 15.772 55.292 44.702 1.00 8.31 N ATOM 865 CA PRO A 114 14.801 54.911 43.686 1.00 5.20 C ATOM 866 C PRO A 114 14.077 53.617 43.940 1.00 5.74 C ATOM 867 O PRO A 114 14.548 52.703 44.549 1.00 5.43 O ATOM 868 CB PRO A 114 15.601 54.911 42.365 1.00 9.63 C ATOM 869 CG PRO A 114 17.046 55.178 42.670 1.00 14.75 C ATOM 870 CD PRO A 114 17.131 55.406 44.194 1.00 8.97 C ATOM 0 HA PRO A 114 14.062 55.539 43.674 1.00 5.20 H new ATOM 0 HB2 PRO A 114 15.506 54.057 41.915 1.00 9.63 H new ATOM 0 HB3 PRO A 114 15.255 55.588 41.763 1.00 9.63 H new ATOM 0 HG2 PRO A 114 17.601 54.429 42.401 1.00 14.75 H new ATOM 0 HG3 PRO A 114 17.364 55.956 42.185 1.00 14.75 H new ATOM 0 HD2 PRO A 114 17.712 54.750 44.610 1.00 8.97 H new ATOM 0 HD3 PRO A 114 17.502 56.280 44.393 1.00 8.97 H new ATOM 871 N TYR A 115 12.809 53.617 43.432 1.00 5.88 N ATOM 872 CA TYR A 115 11.983 52.360 43.533 1.00 2.63 C ATOM 873 C TYR A 115 12.325 51.332 42.467 1.00 4.65 C ATOM 874 O TYR A 115 12.032 51.560 41.247 1.00 6.17 O ATOM 875 CB TYR A 115 10.522 52.817 43.381 1.00 6.72 C ATOM 876 CG TYR A 115 9.488 51.865 43.889 1.00 3.16 C ATOM 877 CD1 TYR A 115 9.470 51.408 45.260 1.00 5.42 C ATOM 878 CD2 TYR A 115 8.354 51.560 43.127 1.00 0.54 C ATOM 879 CE1 TYR A 115 8.451 50.646 45.718 1.00 3.54 C ATOM 880 CE2 TYR A 115 7.291 50.799 43.635 1.00 4.22 C ATOM 881 CZ TYR A 115 7.376 50.342 44.956 1.00 5.04 C ATOM 882 OH TYR A 115 6.342 49.618 45.464 1.00 8.03 O ATOM 0 H TYR A 115 12.426 54.285 43.049 1.00 5.88 H new ATOM 0 HA TYR A 115 12.155 51.917 44.378 1.00 2.63 H new ATOM 0 HB2 TYR A 115 10.415 53.662 43.845 1.00 6.72 H new ATOM 0 HB3 TYR A 115 10.349 52.985 42.441 1.00 6.72 H new ATOM 0 HD1 TYR A 115 10.165 51.640 45.832 1.00 5.42 H new ATOM 0 HD2 TYR A 115 8.304 51.873 42.253 1.00 0.54 H new ATOM 0 HE1 TYR A 115 8.491 50.319 46.588 1.00 3.54 H new ATOM 0 HE2 TYR A 115 6.550 50.603 43.109 1.00 4.22 H new ATOM 0 HH TYR A 115 6.276 49.764 46.289 1.00 8.03 H new ATOM 883 N VAL A 116 12.988 50.304 42.924 1.00 3.98 N ATOM 884 CA VAL A 116 13.595 49.314 41.959 1.00 5.05 C ATOM 885 C VAL A 116 13.269 47.943 42.467 1.00 5.48 C ATOM 886 O VAL A 116 12.912 47.600 43.584 1.00 3.02 O ATOM 887 CB VAL A 116 15.085 49.542 41.806 1.00 5.00 C ATOM 888 CG1 VAL A 116 15.426 50.913 41.146 1.00 5.14 C ATOM 889 CG2 VAL A 116 15.953 49.466 43.076 1.00 6.78 C ATOM 0 H VAL A 116 13.116 50.132 43.757 1.00 3.98 H new ATOM 0 HA VAL A 116 13.226 49.425 41.069 1.00 5.05 H new ATOM 0 HB VAL A 116 15.310 48.783 41.245 1.00 5.00 H new ATOM 0 HG11 VAL A 116 16.389 51.007 41.073 1.00 5.14 H new ATOM 0 HG12 VAL A 116 15.029 50.954 40.262 1.00 5.14 H new ATOM 0 HG13 VAL A 116 15.072 51.632 41.692 1.00 5.14 H new ATOM 0 HG21 VAL A 116 16.881 49.629 42.844 1.00 6.78 H new ATOM 0 HG22 VAL A 116 15.656 50.136 43.711 1.00 6.78 H new ATOM 0 HG23 VAL A 116 15.869 48.585 43.473 1.00 6.78 H new ATOM 890 N PRO A 117 13.419 46.991 41.552 1.00 5.79 N ATOM 891 CA PRO A 117 13.152 45.544 41.857 1.00 4.03 C ATOM 892 C PRO A 117 14.153 45.087 42.873 1.00 4.21 C ATOM 893 O PRO A 117 15.349 45.315 42.721 1.00 3.36 O ATOM 894 CB PRO A 117 13.318 44.858 40.485 1.00 1.72 C ATOM 895 CG PRO A 117 13.114 45.963 39.470 1.00 6.70 C ATOM 896 CD PRO A 117 13.762 47.181 40.079 1.00 3.51 C ATOM 0 HA PRO A 117 12.280 45.349 42.235 1.00 4.03 H new ATOM 0 HB2 PRO A 117 14.197 44.457 40.396 1.00 1.72 H new ATOM 0 HB3 PRO A 117 12.669 44.147 40.366 1.00 1.72 H new ATOM 0 HG2 PRO A 117 13.522 45.737 38.619 1.00 6.70 H new ATOM 0 HG3 PRO A 117 12.171 46.115 39.301 1.00 6.70 H new ATOM 0 HD2 PRO A 117 14.720 47.202 39.925 1.00 3.51 H new ATOM 0 HD3 PRO A 117 13.399 48.007 39.722 1.00 3.51 H new ATOM 897 N VAL A 118 13.605 44.249 43.736 1.00 4.88 N ATOM 898 CA VAL A 118 14.370 43.640 44.854 1.00 7.46 C ATOM 899 C VAL A 118 14.045 42.155 44.956 1.00 2.96 C ATOM 900 O VAL A 118 14.707 41.469 45.718 1.00 6.99 O ATOM 901 CB VAL A 118 13.792 44.592 45.921 1.00 10.90 C ATOM 902 CG1 VAL A 118 12.713 44.135 46.784 1.00 6.12 C ATOM 903 CG2 VAL A 118 14.721 45.658 46.378 1.00 5.41 C ATOM 0 H VAL A 118 12.780 44.007 43.704 1.00 4.88 H new ATOM 0 HA VAL A 118 15.339 43.594 44.849 1.00 7.46 H new ATOM 0 HB VAL A 118 13.157 45.117 45.409 1.00 10.90 H new ATOM 0 HG11 VAL A 118 12.464 44.846 47.395 1.00 6.12 H new ATOM 0 HG12 VAL A 118 11.946 43.892 46.242 1.00 6.12 H new ATOM 0 HG13 VAL A 118 13.009 43.362 47.290 1.00 6.12 H new ATOM 0 HG21 VAL A 118 14.280 46.208 47.044 1.00 5.41 H new ATOM 0 HG22 VAL A 118 15.513 45.253 46.766 1.00 5.41 H new ATOM 0 HG23 VAL A 118 14.978 46.210 45.623 1.00 5.41 H new ATOM 904 N HIS A 119 12.955 41.698 44.244 1.00 2.19 N ATOM 905 CA HIS A 119 12.660 40.251 44.244 1.00 4.30 C ATOM 906 C HIS A 119 12.043 39.870 42.924 1.00 4.20 C ATOM 907 O HIS A 119 11.233 40.631 42.365 1.00 5.01 O ATOM 908 CB HIS A 119 11.801 39.946 45.464 1.00 6.58 C ATOM 909 CG HIS A 119 10.946 38.765 45.362 1.00 13.61 C ATOM 910 ND1 HIS A 119 11.359 37.471 45.464 1.00 16.85 N ATOM 911 CD2 HIS A 119 9.500 38.765 45.260 1.00 11.61 C ATOM 912 CE1 HIS A 119 10.267 36.709 45.362 1.00 11.19 C ATOM 913 NE2 HIS A 119 9.146 37.509 45.260 1.00 15.31 N ATOM 0 H HIS A 119 12.416 42.189 43.788 1.00 2.19 H new ATOM 0 HA HIS A 119 13.459 39.707 44.322 1.00 4.30 H new ATOM 0 HB2 HIS A 119 12.385 39.836 46.230 1.00 6.58 H new ATOM 0 HB3 HIS A 119 11.239 40.716 45.644 1.00 6.58 H new ATOM 0 HD2 HIS A 119 8.941 39.506 45.206 1.00 11.61 H new ATOM 0 HE1 HIS A 119 10.262 35.779 45.360 1.00 11.19 H new ATOM 0 HE2 HIS A 119 8.337 37.223 45.205 1.00 15.31 H new ATOM 914 N PHE A 120 12.325 38.651 42.467 1.00 3.82 N ATOM 915 CA PHE A 120 11.693 38.118 41.197 1.00 2.07 C ATOM 916 C PHE A 120 10.571 37.242 41.705 1.00 2.44 C ATOM 917 O PHE A 120 10.835 36.138 42.314 1.00 4.34 O ATOM 918 CB PHE A 120 12.669 37.356 40.384 1.00 5.79 C ATOM 919 CG PHE A 120 12.082 37.090 38.962 1.00 7.67 C ATOM 920 CD1 PHE A 120 12.232 38.004 37.946 1.00 6.40 C ATOM 921 CD2 PHE A 120 11.345 35.909 38.860 1.00 2.55 C ATOM 922 CE1 PHE A 120 11.600 37.737 36.676 1.00 8.06 C ATOM 923 CE2 PHE A 120 10.787 35.605 37.641 1.00 3.93 C ATOM 924 CZ PHE A 120 10.892 36.519 36.574 1.00 8.32 C ATOM 0 H PHE A 120 12.867 38.106 42.852 1.00 3.82 H new ATOM 0 HA PHE A 120 11.378 38.820 40.606 1.00 2.07 H new ATOM 0 HB2 PHE A 120 13.500 37.852 40.312 1.00 5.79 H new ATOM 0 HB3 PHE A 120 12.878 36.515 40.819 1.00 5.79 H new ATOM 0 HD1 PHE A 120 12.731 38.779 38.074 1.00 6.40 H new ATOM 0 HD2 PHE A 120 11.235 35.346 39.592 1.00 2.55 H new ATOM 0 HE1 PHE A 120 11.656 38.334 35.965 1.00 8.06 H new ATOM 0 HE2 PHE A 120 10.341 34.798 37.521 1.00 3.93 H new ATOM 0 HZ PHE A 120 10.477 36.311 35.768 1.00 8.32 H new ATOM 925 N ASP A 121 9.302 37.547 41.400 1.00 2.67 N ATOM 926 CA ASP A 121 8.165 36.785 41.959 1.00 2.89 C ATOM 927 C ASP A 121 7.724 35.681 41.044 1.00 4.19 C ATOM 928 O ASP A 121 7.384 34.577 41.501 1.00 6.26 O ATOM 929 CB ASP A 121 6.969 37.737 42.314 1.00 2.85 C ATOM 930 CG ASP A 121 6.111 37.166 43.432 1.00 8.06 C ATOM 931 OD1 ASP A 121 6.713 36.823 44.498 1.00 9.13 O ATOM 932 OD2 ASP A 121 4.857 37.014 43.178 1.00 5.82 O ATOM 0 H ASP A 121 9.075 38.188 40.874 1.00 2.67 H new ATOM 0 HA ASP A 121 8.474 36.369 42.779 1.00 2.89 H new ATOM 0 HB2 ASP A 121 7.313 38.604 42.580 1.00 2.85 H new ATOM 0 HB3 ASP A 121 6.422 37.878 41.525 1.00 2.85 H new ATOM 933 N ALA A 122 7.595 35.986 39.774 1.00 3.06 N ATOM 934 CA ALA A 122 7.110 34.957 38.809 1.00 3.25 C ATOM 935 C ALA A 122 7.172 35.491 37.387 1.00 4.94 C ATOM 936 O ALA A 122 7.247 36.709 37.133 1.00 6.14 O ATOM 937 CB ALA A 122 5.634 34.729 39.114 1.00 4.46 C ATOM 0 H ALA A 122 7.771 36.755 39.433 1.00 3.06 H new ATOM 0 HA ALA A 122 7.651 34.156 38.888 1.00 3.25 H new ATOM 0 HB1 ALA A 122 5.277 34.063 38.506 1.00 4.46 H new ATOM 0 HB2 ALA A 122 5.536 34.418 40.027 1.00 4.46 H new ATOM 0 HB3 ALA A 122 5.148 35.561 39.003 1.00 4.46 H new ATOM 938 N SER A 123 7.086 34.539 36.472 1.00 8.21 N ATOM 939 CA SER A 123 6.957 34.729 34.999 1.00 5.94 C ATOM 940 C SER A 123 5.541 34.158 34.695 1.00 6.32 C ATOM 941 O SER A 123 5.230 33.053 35.152 1.00 10.64 O ATOM 942 CB SER A 123 8.036 34.158 34.136 1.00 6.68 C ATOM 943 OG SER A 123 8.153 32.787 34.339 1.00 18.81 O ATOM 0 H SER A 123 7.101 33.707 36.689 1.00 8.21 H new ATOM 0 HA SER A 123 7.065 35.665 34.769 1.00 5.94 H new ATOM 0 HB2 SER A 123 7.839 34.336 33.203 1.00 6.68 H new ATOM 0 HB3 SER A 123 8.880 34.592 34.335 1.00 6.68 H new ATOM 0 HG SER A 123 8.761 32.482 33.847 1.00 18.81 H new ATOM 944 N VAL A 124 4.731 34.996 34.034 1.00 3.57 N ATOM 945 CA VAL A 124 3.389 34.577 33.679 1.00 6.27 C ATOM 946 C VAL A 124 3.097 34.691 32.155 1.00 7.69 C ATOM 947 O VAL A 124 1.888 34.386 31.850 1.00 11.74 O ATOM 948 CB VAL A 124 2.398 35.262 34.644 1.00 7.92 C ATOM 949 CG1 VAL A 124 2.631 34.957 36.168 1.00 8.80 C ATOM 950 CG2 VAL A 124 2.310 36.785 34.441 1.00 8.35 C ATOM 951 OXT VAL A 124 3.586 35.681 31.494 1.00 6.87 O ATOM 0 H VAL A 124 4.942 35.793 33.790 1.00 3.57 H new ATOM 0 HA VAL A 124 3.276 33.622 33.809 1.00 6.27 H new ATOM 0 HB VAL A 124 1.552 34.856 34.399 1.00 7.92 H new ATOM 0 HG11 VAL A 124 1.967 35.426 36.697 1.00 8.80 H new ATOM 0 HG12 VAL A 124 2.553 34.003 36.323 1.00 8.80 H new ATOM 0 HG13 VAL A 124 3.518 35.254 36.426 1.00 8.80 H new ATOM 0 HG21 VAL A 124 1.675 37.160 35.072 1.00 8.35 H new ATOM 0 HG22 VAL A 124 3.183 37.182 34.587 1.00 8.35 H new ATOM 0 HG23 VAL A 124 2.016 36.975 33.536 1.00 8.35 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