USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE (NUCLEIC ACID,RNA) 13-AUG-91 1RAT 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 1RAT 1 VERSN REVDAT 2 01-APR-03 1RAT 1 JRNL REVDAT 1 15-JUL-93 1RAT 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 : 11214 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) : 0.171 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) : 0.024 ; 0.030 REMARK 3 ANGLE DISTANCE (A) : 0.034 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.045 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.016 ; 0.025 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.139 ; 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) : 13.700; 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 1RAT 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 (%): 40.96 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 MET A 13 CG MET A 13 SD -0.196 REMARK 500 HIS A 48 CG HIS A 48 CD2 0.089 REMARK 500 GLU A 49 CD GLU A 49 OE1 0.088 REMARK 500 SER A 77 CA SER A 77 CB 0.094 REMARK 500 GLU A 86 CD GLU A 86 OE1 0.083 REMARK 500 PRO A 114 CD PRO A 114 N 0.090 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 LYS A 7 O - C - N ANGL. DEV. = -11.4 DEGREES REMARK 500 ARG A 10 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES REMARK 500 ALA A 20 O - C - N ANGL. DEV. = 12.2 DEGREES REMARK 500 ARG A 33 NE - CZ - NH2 ANGL. DEV. = 7.2 DEGREES REMARK 500 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 VAL A 47 O - C - N ANGL. DEV. = 15.7 DEGREES REMARK 500 ASN A 62 CB - CG - OD1 ANGL. DEV. = -12.4 DEGREES REMARK 500 ALA A 64 O - C - N ANGL. DEV. = 9.9 DEGREES REMARK 500 TYR A 73 CB - CG - CD1 ANGL. DEV. = -4.1 DEGREES REMARK 500 TYR A 73 O - C - N ANGL. DEV. = 12.2 DEGREES REMARK 500 ARG A 85 NE - CZ - NH1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ARG A 85 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES REMARK 500 TYR A 97 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES REMARK 500 TYR A 97 CB - CG - CD1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ALA A 109 N - CA - CB ANGL. DEV. = 10.4 DEGREES REMARK 500 VAL A 108 O - C - N ANGL. DEV. = 10.7 DEGREES REMARK 500 TYR A 115 CD1 - CG - CD2 ANGL. DEV. = 7.0 DEGREES REMARK 500 TYR A 115 CB - CG - CD1 ANGL. DEV. = -6.6 DEGREES REMARK 500 TYR A 115 CG - CD1 - CE1 ANGL. DEV. = -7.0 DEGREES REMARK 500 VAL A 118 N - CA - CB ANGL. DEV. = -14.1 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 CYS A 58 -6.17 -59.13 REMARK 500 GLN A 60 -141.39 -101.96 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 0.18 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1RAT A 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 SHEET 1 A 3 VAL A 43 VAL A 47 0 SHEET 2 A 3 MET A 79 GLU A 86 -1 O THR A 82 N PHE A 46 SHEET 3 A 3 TYR A 97 LYS A 104 -1 N LYS A 98 O ARG A 85 SHEET 1 B 4 LYS A 61 VAL A 63 0 SHEET 2 B 4 CYS A 72 GLN A 74 -1 O CYS A 72 N VAL A 63 SHEET 3 B 4 ILE A 106 GLU A 111 -1 O VAL A 108 N TYR A 73 SHEET 4 B 4 VAL A 116 SER A 123 -1 O VAL A 116 N GLU A 111 SSBOND *** CYS A 26 CYS A 84 1555 1555 2.11 SSBOND *** CYS A 40 CYS A 95 1555 1555 2.07 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.13 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.09 CISPEP 1 TYR A 92 PRO A 93 0 -0.21 CISPEP 2 ASN A 113 PRO A 114 0 1.40 CRYST1 29.480 38.080 52.970 90.00 106.09 90.00 P 1 21 1 2 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.033921 0.000000 0.009784 0.00000 SCALE2 0.000000 0.026261 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019648 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 17 THR OG1 : rot 47:sc= -0.248 USER MOD Set 1.2: A 25 TYR OH : rot -20:sc= 1.29 USER MOD Set 1.3: A 29 MET CE :methyl -126:sc= -0.145 (180deg=-1.3) USER MOD Set 1.4: A 48 HIS : no HD1:sc= 1.31 K(o=5.6,f=-5!) USER MOD Set 1.5: A 80 SER OG : rot -167:sc= 0.992 USER MOD Set 1.6: A 82 THR OG1 : rot -35:sc= 1.58 USER MOD Set 1.7: A 101 GLN : amide:sc= 0.829 K(o=5.6,f=0.33!) USER MOD Set 2.1: A 98 LYS NZ :NH3+ 160:sc= 0.564 (180deg=0.431) USER MOD Set 2.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 73 TYR OH : rot 43:sc= 1.45 USER MOD Set 3.2: A 115 TYR OH : rot 30:sc= 1.1 USER MOD Set 4.1: A 67 ASN : amide:sc= -0.489 K(o=-0.62,f=-11!) USER MOD Set 4.2: A 69 GLN : amide:sc= -1.3 X(o=-0.62,f=-0.81) USER MOD Set 4.3: A 71 ASN : amide:sc= 1.17 K(o=-0.62,f=-6.8!) USER MOD Set 5.1: A 30 MET CE :methyl 174:sc= -1.8 (180deg=-1.96) USER MOD Set 5.2: A 97 TYR OH : rot -177:sc= 1.28 USER MOD Set 6.1: A 24 ASN : amide:sc= -0.0446 K(o=0.34,f=-1) USER MOD Set 6.2: A 27 ASN : amide:sc= 0.382 K(o=0.34,f=-6.3!) USER MOD Set 7.1: A 13 MET CE :methyl -147:sc= -0.0394 (180deg=-0.913) USER MOD Set 7.2: A 15 SER OG : rot -53:sc= 1.07 USER MOD Set 8.1: A 12 HIS : no HE2:sc= 0.78 K(o=3.1,f=-1.1!) USER MOD Set 8.2: A 41 LYS NZ :NH3+ 165:sc= 0.935 (180deg=0.0711) USER MOD Set 8.3: A 44 ASN : amide:sc= 1.41 K(o=3.1,f=-4.5!) USER MOD Single : A 1 LYS N :NH3+ 132:sc= 0.0621 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.509 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.11) USER MOD Single : A 16 SER OG : rot -61:sc= 0.89 USER MOD Single : A 18 SER OG : rot 180:sc= 3.5e-05 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= -2.1! K(o=-2.1!,f=-0.087) USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -0.417 (180deg=-1.93!) USER MOD Single : A 32 SER OG : rot -83:sc= 0.0418 USER MOD Single : A 34 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 168:sc=-0.00845 (180deg=-0.11) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0921 USER MOD Single : A 55 GLN : amide:sc= -0.194 K(o=-0.19,f=-3.3!) USER MOD Single : A 59 SER OG : rot 13:sc= 0.101 USER MOD Single : A 60 GLN : amide:sc= -0.853 K(o=-0.85,f=-5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 1.1 K(o=1.1,f=-0.24) 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= -0.254 K(o=-0.25,f=-1.9) USER MOD Single : A 75 SER OG : rot 79:sc= 1.23 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 78 THR OG1 : 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= 0.633 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 0:sc= 0.944 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 99 THR OG1 : rot 124:sc= 0.969 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.466 K(o=-0.47,f=0.11) USER MOD Single : A 113 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.36) USER MOD Single : A 119 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD Single : A 123 SER OG : rot -169:sc= -1.51! USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 27.063 45.139 53.450 1.00 11.68 N ATOM 2 CA LYS A 1 26.694 43.921 52.687 1.00 7.73 C ATOM 3 C LYS A 1 25.911 44.302 51.416 1.00 1.18 C ATOM 4 O LYS A 1 25.306 45.368 51.365 1.00 4.18 O ATOM 5 CB LYS A 1 25.913 42.894 53.450 1.00 30.12 C ATOM 6 CG LYS A 1 24.425 43.122 53.501 1.00 42.35 C ATOM 7 CD LYS A 1 23.659 41.828 53.705 1.00 39.69 C ATOM 8 CE LYS A 1 24.014 41.143 55.027 1.00 48.62 C ATOM 9 NZ LYS A 1 23.071 40.077 55.434 1.00 58.22 N ATOM 0 H1 LYS A 1 26.855 45.027 54.308 1.00 11.68 H new ATOM 0 H2 LYS A 1 27.938 45.283 53.374 1.00 11.68 H new ATOM 0 H3 LYS A 1 26.618 45.839 53.126 1.00 11.68 H new ATOM 0 HA LYS A 1 27.543 43.504 52.471 1.00 7.73 H new ATOM 0 HB2 LYS A 1 26.078 42.024 53.054 1.00 30.12 H new ATOM 0 HB3 LYS A 1 26.251 42.861 54.358 1.00 30.12 H new ATOM 0 HG2 LYS A 1 24.217 43.737 54.222 1.00 42.35 H new ATOM 0 HG3 LYS A 1 24.134 43.543 52.677 1.00 42.35 H new ATOM 0 HD2 LYS A 1 22.707 42.012 53.684 1.00 39.69 H new ATOM 0 HD3 LYS A 1 23.847 41.224 52.970 1.00 39.69 H new ATOM 0 HE2 LYS A 1 24.903 40.763 54.953 1.00 48.62 H new ATOM 0 HE3 LYS A 1 24.049 41.813 55.727 1.00 48.62 H new ATOM 0 HZ1 LYS A 1 23.337 39.724 56.207 1.00 58.22 H new ATOM 0 HZ2 LYS A 1 22.256 40.422 55.531 1.00 58.22 H new ATOM 0 HZ3 LYS A 1 23.052 39.443 54.810 1.00 58.22 H new ATOM 10 N GLU A 2 25.983 43.426 50.450 1.00 0.50 N ATOM 11 CA GLU A 2 25.318 43.579 49.178 1.00 4.12 C ATOM 12 C GLU A 2 23.874 44.035 49.382 1.00 2.90 C ATOM 13 O GLU A 2 23.108 43.426 50.195 1.00 8.23 O ATOM 14 CB GLU A 2 25.332 42.247 48.415 1.00 3.29 C ATOM 15 CG GLU A 2 24.902 42.399 46.941 1.00 0.50 C ATOM 16 CD GLU A 2 24.754 41.067 46.229 1.00 6.83 C ATOM 17 OE1 GLU A 2 24.489 40.001 46.941 1.00 6.73 O ATOM 18 OE2 GLU A 2 24.855 40.991 44.957 1.00 7.27 O ATOM 0 H GLU A 2 26.435 42.697 50.514 1.00 0.50 H new ATOM 0 HA GLU A 2 25.791 44.251 48.663 1.00 4.12 H new ATOM 0 HB2 GLU A 2 26.224 41.868 48.450 1.00 3.29 H new ATOM 0 HB3 GLU A 2 24.740 41.619 48.857 1.00 3.29 H new ATOM 0 HG2 GLU A 2 24.059 42.877 46.902 1.00 0.50 H new ATOM 0 HG3 GLU A 2 25.556 42.940 46.472 1.00 0.50 H new ATOM 19 N THR A 3 23.489 45.063 48.670 1.00 2.13 N ATOM 20 CA THR A 3 22.148 45.634 48.721 1.00 5.67 C ATOM 21 C THR A 3 21.189 44.682 48.059 1.00 9.17 C ATOM 22 O THR A 3 21.556 43.807 47.195 1.00 4.94 O ATOM 23 CB THR A 3 22.088 47.004 48.009 1.00 3.98 C ATOM 24 OG1 THR A 3 22.307 46.814 46.636 1.00 3.16 O ATOM 25 CG2 THR A 3 23.150 47.994 48.517 1.00 6.48 C ATOM 0 H THR A 3 24.011 45.470 48.121 1.00 2.13 H new ATOM 0 HA THR A 3 21.906 45.771 49.650 1.00 5.67 H new ATOM 0 HB THR A 3 21.212 47.378 48.194 1.00 3.98 H new ATOM 0 HG1 THR A 3 22.274 47.555 46.242 1.00 3.16 H new ATOM 0 HG21 THR A 3 23.066 48.833 48.037 1.00 6.48 H new ATOM 0 HG22 THR A 3 23.020 48.150 49.466 1.00 6.48 H new ATOM 0 HG23 THR A 3 24.034 47.624 48.369 1.00 6.48 H new ATOM 26 N ALA A 4 19.892 44.759 48.365 1.00 2.03 N ATOM 27 CA ALA A 4 18.904 43.845 47.703 1.00 4.06 C ATOM 28 C ALA A 4 18.799 44.150 46.229 1.00 2.63 C ATOM 29 O ALA A 4 18.429 43.350 45.364 1.00 10.98 O ATOM 30 CB ALA A 4 17.534 44.035 48.365 1.00 1.71 C ATOM 0 H ALA A 4 19.555 45.310 48.933 1.00 2.03 H new ATOM 0 HA ALA A 4 19.202 42.928 47.805 1.00 4.06 H new ATOM 0 HB1 ALA A 4 16.887 43.448 47.944 1.00 1.71 H new ATOM 0 HB2 ALA A 4 17.598 43.821 49.309 1.00 1.71 H new ATOM 0 HB3 ALA A 4 17.249 44.957 48.261 1.00 1.71 H new ATOM 31 N ALA A 5 19.093 45.482 45.924 1.00 0.97 N ATOM 32 CA ALA A 5 19.003 45.900 44.500 1.00 5.29 C ATOM 33 C ALA A 5 20.181 45.215 43.788 1.00 0.50 C ATOM 34 O ALA A 5 19.899 44.720 42.720 1.00 0.50 O ATOM 35 CB ALA A 5 18.958 47.385 44.347 1.00 0.50 C ATOM 0 H ALA A 5 19.324 46.091 46.486 1.00 0.97 H new ATOM 0 HA ALA A 5 18.170 45.620 44.090 1.00 5.29 H new ATOM 0 HB1 ALA A 5 18.900 47.612 43.406 1.00 0.50 H new ATOM 0 HB2 ALA A 5 18.182 47.735 44.812 1.00 0.50 H new ATOM 0 HB3 ALA A 5 19.763 47.774 44.724 1.00 0.50 H new ATOM 36 N ALA A 6 21.331 45.291 44.398 1.00 3.08 N ATOM 37 CA ALA A 6 22.583 44.644 43.737 1.00 0.50 C ATOM 38 C ALA A 6 22.303 43.160 43.584 1.00 7.96 C ATOM 39 O ALA A 6 22.611 42.589 42.516 1.00 4.04 O ATOM 40 CB ALA A 6 23.779 44.987 44.601 1.00 0.50 C ATOM 0 H ALA A 6 21.467 45.677 45.154 1.00 3.08 H new ATOM 0 HA ALA A 6 22.781 44.978 42.848 1.00 0.50 H new ATOM 0 HB1 ALA A 6 24.579 44.597 44.216 1.00 0.50 H new ATOM 0 HB2 ALA A 6 23.879 45.951 44.647 1.00 0.50 H new ATOM 0 HB3 ALA A 6 23.645 44.633 45.494 1.00 0.50 H new ATOM 41 N LYS A 7 21.907 42.513 44.652 1.00 4.42 N ATOM 42 CA LYS A 7 21.627 41.029 44.601 1.00 6.67 C ATOM 43 C LYS A 7 20.652 40.686 43.584 1.00 4.19 C ATOM 44 O LYS A 7 20.828 39.697 42.770 1.00 0.50 O ATOM 45 CB LYS A 7 21.186 40.648 46.025 1.00 5.67 C ATOM 46 CG LYS A 7 21.054 39.088 46.076 1.00 3.15 C ATOM 47 CD LYS A 7 20.702 38.631 47.500 1.00 7.86 C ATOM 48 CE LYS A 7 20.407 37.108 47.500 1.00 21.68 C ATOM 49 NZ LYS A 7 20.748 36.538 48.873 1.00 23.95 N ATOM 0 H LYS A 7 21.785 42.876 45.422 1.00 4.42 H new ATOM 0 HA LYS A 7 22.412 40.524 44.339 1.00 6.67 H new ATOM 0 HB2 LYS A 7 21.834 40.957 46.677 1.00 5.67 H new ATOM 0 HB3 LYS A 7 20.340 41.069 46.244 1.00 5.67 H new ATOM 0 HG2 LYS A 7 20.368 38.794 45.456 1.00 3.15 H new ATOM 0 HG3 LYS A 7 21.886 38.677 45.794 1.00 3.15 H new ATOM 0 HD2 LYS A 7 21.436 38.828 48.103 1.00 7.86 H new ATOM 0 HD3 LYS A 7 19.929 39.119 47.825 1.00 7.86 H new ATOM 0 HE2 LYS A 7 19.473 36.947 47.293 1.00 21.68 H new ATOM 0 HE3 LYS A 7 20.930 36.665 46.814 1.00 21.68 H new ATOM 0 HZ1 LYS A 7 20.581 35.664 48.881 1.00 23.95 H new ATOM 0 HZ2 LYS A 7 21.610 36.677 49.047 1.00 23.95 H new ATOM 0 HZ3 LYS A 7 20.252 36.940 49.493 1.00 23.95 H new ATOM 50 N PHE A 8 19.561 41.371 43.279 1.00 1.21 N ATOM 51 CA PHE A 8 18.602 41.181 42.211 1.00 0.50 C ATOM 52 C PHE A 8 19.263 41.067 40.838 1.00 0.77 C ATOM 53 O PHE A 8 18.967 40.344 39.922 1.00 2.03 O ATOM 54 CB PHE A 8 17.540 42.323 42.211 1.00 6.82 C ATOM 55 CG PHE A 8 16.595 42.094 41.092 1.00 1.24 C ATOM 56 CD1 PHE A 8 16.815 42.627 39.821 1.00 0.50 C ATOM 57 CD2 PHE A 8 15.387 41.333 41.296 1.00 0.50 C ATOM 58 CE1 PHE A 8 15.899 42.475 38.804 1.00 0.50 C ATOM 59 CE2 PHE A 8 14.501 41.143 40.278 1.00 2.87 C ATOM 60 CZ PHE A 8 14.750 41.638 39.007 1.00 4.30 C ATOM 0 H PHE A 8 19.339 42.048 43.760 1.00 1.21 H new ATOM 0 HA PHE A 8 18.159 40.336 42.383 1.00 0.50 H new ATOM 0 HB2 PHE A 8 17.063 42.339 43.056 1.00 6.82 H new ATOM 0 HB3 PHE A 8 17.974 43.185 42.114 1.00 6.82 H new ATOM 0 HD1 PHE A 8 17.601 43.097 39.657 1.00 0.50 H new ATOM 0 HD2 PHE A 8 15.210 40.967 42.133 1.00 0.50 H new ATOM 0 HE1 PHE A 8 16.024 42.911 37.992 1.00 0.50 H new ATOM 0 HE2 PHE A 8 13.715 40.673 40.439 1.00 2.87 H new ATOM 0 HZ PHE A 8 14.183 41.432 38.299 1.00 4.30 H new ATOM 61 N GLU A 9 20.162 42.132 40.685 1.00 5.59 N ATOM 62 CA GLU A 9 20.897 42.285 39.465 1.00 6.81 C ATOM 63 C GLU A 9 21.870 41.105 39.261 1.00 0.50 C ATOM 64 O GLU A 9 21.809 40.610 38.142 1.00 2.99 O ATOM 65 CB GLU A 9 21.737 43.579 39.414 1.00 2.74 C ATOM 66 CG GLU A 9 20.838 44.873 39.261 1.00 0.50 C ATOM 67 CD GLU A 9 21.692 46.091 38.854 1.00 9.00 C ATOM 68 OE1 GLU A 9 22.561 45.900 37.888 1.00 7.01 O ATOM 69 OE2 GLU A 9 21.531 47.156 39.414 1.00 5.91 O ATOM 0 H GLU A 9 20.320 42.729 41.283 1.00 5.59 H new ATOM 0 HA GLU A 9 20.224 42.319 38.767 1.00 6.81 H new ATOM 0 HB2 GLU A 9 22.267 43.650 40.223 1.00 2.74 H new ATOM 0 HB3 GLU A 9 22.358 43.530 38.671 1.00 2.74 H new ATOM 0 HG2 GLU A 9 20.151 44.717 38.594 1.00 0.50 H new ATOM 0 HG3 GLU A 9 20.384 45.057 40.098 1.00 0.50 H new ATOM 70 N ARG A 10 22.549 40.762 40.278 1.00 0.50 N ATOM 71 CA ARG A 10 23.448 39.582 40.228 1.00 0.50 C ATOM 72 C ARG A 10 22.667 38.288 39.973 1.00 12.92 C ATOM 73 O ARG A 10 23.123 37.413 39.210 1.00 0.50 O ATOM 74 CB ARG A 10 24.275 39.468 41.448 1.00 0.50 C ATOM 75 CG ARG A 10 25.278 38.288 41.550 1.00 0.50 C ATOM 76 CD ARG A 10 26.134 38.403 42.770 1.00 4.21 C ATOM 77 NE ARG A 10 25.443 38.403 44.042 1.00 4.57 N ATOM 78 CZ ARG A 10 24.958 37.375 44.703 1.00 20.75 C ATOM 79 NH1 ARG A 10 25.149 36.119 44.245 1.00 3.42 N ATOM 80 NH2 ARG A 10 24.296 37.489 45.873 1.00 5.10 N ATOM 0 H ARG A 10 22.534 41.173 41.033 1.00 0.50 H new ATOM 0 HA ARG A 10 24.049 39.719 39.479 1.00 0.50 H new ATOM 0 HB2 ARG A 10 24.777 40.292 41.543 1.00 0.50 H new ATOM 0 HB3 ARG A 10 23.675 39.413 42.208 1.00 0.50 H new ATOM 0 HG2 ARG A 10 24.792 37.449 41.572 1.00 0.50 H new ATOM 0 HG3 ARG A 10 25.840 38.270 40.759 1.00 0.50 H new ATOM 0 HD2 ARG A 10 26.767 37.668 42.768 1.00 4.21 H new ATOM 0 HD3 ARG A 10 26.650 39.222 42.704 1.00 4.21 H new ATOM 0 HE ARG A 10 25.336 39.172 44.412 1.00 4.57 H new ATOM 0 HH11 ARG A 10 25.590 35.989 43.518 1.00 3.42 H new ATOM 0 HH12 ARG A 10 24.830 35.449 44.680 1.00 3.42 H new ATOM 0 HH21 ARG A 10 24.173 38.265 46.224 1.00 5.10 H new ATOM 0 HH22 ARG A 10 23.997 36.786 46.268 1.00 5.10 H new ATOM 81 N GLN A 11 21.562 38.098 40.634 1.00 5.11 N ATOM 82 CA GLN A 11 20.840 36.842 40.482 1.00 4.59 C ATOM 83 C GLN A 11 20.012 36.766 39.261 1.00 0.50 C ATOM 84 O GLN A 11 19.687 35.662 38.753 1.00 7.20 O ATOM 85 CB GLN A 11 19.839 36.728 41.702 1.00 1.20 C ATOM 86 CG GLN A 11 20.563 36.461 42.974 1.00 3.67 C ATOM 87 CD GLN A 11 19.695 35.853 44.042 1.00 25.74 C ATOM 88 OE1 GLN A 11 18.590 36.347 44.296 1.00 13.66 O ATOM 89 NE2 GLN A 11 20.167 34.825 44.652 1.00 9.03 N ATOM 0 H GLN A 11 21.205 38.666 41.172 1.00 5.11 H new ATOM 0 HA GLN A 11 21.505 36.138 40.435 1.00 4.59 H new ATOM 0 HB2 GLN A 11 19.331 37.550 41.783 1.00 1.20 H new ATOM 0 HB3 GLN A 11 19.202 36.016 41.535 1.00 1.20 H new ATOM 0 HG2 GLN A 11 21.308 35.866 42.795 1.00 3.67 H new ATOM 0 HG3 GLN A 11 20.937 37.292 43.306 1.00 3.67 H new ATOM 0 HE21 GLN A 11 20.942 34.517 44.440 1.00 9.03 H new ATOM 0 HE22 GLN A 11 19.708 34.445 45.272 1.00 9.03 H new ATOM 90 N HIS A 12 19.378 37.908 38.804 1.00 0.90 N ATOM 91 CA HIS A 12 18.418 37.832 37.736 1.00 0.50 C ATOM 92 C HIS A 12 18.535 38.517 36.413 1.00 0.50 C ATOM 93 O HIS A 12 17.723 38.403 35.549 1.00 5.76 O ATOM 94 CB HIS A 12 16.975 38.364 38.346 1.00 2.58 C ATOM 95 CG HIS A 12 16.637 37.489 39.516 1.00 2.07 C ATOM 96 ND1 HIS A 12 16.136 36.233 39.312 1.00 4.60 N ATOM 97 CD2 HIS A 12 16.728 37.756 40.838 1.00 1.90 C ATOM 98 CE1 HIS A 12 15.975 35.738 40.482 1.00 13.33 C ATOM 99 NE2 HIS A 12 16.272 36.576 41.499 1.00 10.43 N ATOM 0 H HIS A 12 19.512 38.698 39.116 1.00 0.90 H new ATOM 0 HA HIS A 12 18.558 36.906 37.485 1.00 0.50 H new ATOM 0 HB2 HIS A 12 17.041 39.292 38.621 1.00 2.58 H new ATOM 0 HB3 HIS A 12 16.280 38.317 37.671 1.00 2.58 H new ATOM 0 HD1 HIS A 12 15.965 35.856 38.558 1.00 4.60 H new ATOM 0 HD2 HIS A 12 17.025 38.543 41.234 1.00 1.90 H new ATOM 0 HE1 HIS A 12 15.676 34.868 40.621 1.00 13.33 H new ATOM 100 N MET A 13 19.581 39.430 36.362 1.00 0.50 N ATOM 101 CA MET A 13 19.682 40.229 35.091 1.00 1.34 C ATOM 102 C MET A 13 20.742 39.582 34.176 1.00 0.50 C ATOM 103 O MET A 13 21.760 39.240 34.735 1.00 0.57 O ATOM 104 CB MET A 13 20.096 41.676 35.396 1.00 0.50 C ATOM 105 CG MET A 13 18.873 42.513 35.956 1.00 0.50 C ATOM 106 SD MET A 13 17.589 42.627 34.989 1.00 3.43 S ATOM 107 CE MET A 13 18.177 43.274 33.362 1.00 0.52 C ATOM 0 H MET A 13 20.167 39.583 36.973 1.00 0.50 H new ATOM 0 HA MET A 13 18.817 40.237 34.653 1.00 1.34 H new ATOM 0 HB2 MET A 13 20.818 41.679 36.044 1.00 0.50 H new ATOM 0 HB3 MET A 13 20.436 42.095 34.590 1.00 0.50 H new ATOM 0 HG2 MET A 13 18.589 42.116 36.794 1.00 0.50 H new ATOM 0 HG3 MET A 13 19.184 43.409 36.158 1.00 0.50 H new ATOM 0 HE1 MET A 13 17.486 43.826 32.964 1.00 0.52 H new ATOM 0 HE2 MET A 13 18.978 43.805 33.495 1.00 0.52 H new ATOM 0 HE3 MET A 13 18.377 42.531 32.771 1.00 0.52 H new ATOM 108 N ASP A 14 20.402 39.544 32.904 1.00 2.12 N ATOM 109 CA ASP A 14 21.432 39.088 31.887 1.00 1.71 C ATOM 110 C ASP A 14 21.180 39.849 30.616 1.00 0.50 C ATOM 111 O ASP A 14 20.677 39.430 29.599 1.00 2.15 O ATOM 112 CB ASP A 14 21.579 37.603 31.684 1.00 5.45 C ATOM 113 CG ASP A 14 22.727 37.375 30.667 1.00 11.09 C ATOM 114 OD1 ASP A 14 23.523 38.326 30.565 1.00 3.19 O ATOM 115 OD2 ASP A 14 22.638 36.271 30.056 1.00 4.44 O ATOM 0 H ASP A 14 19.632 39.759 32.587 1.00 2.12 H new ATOM 0 HA ASP A 14 22.307 39.297 32.250 1.00 1.71 H new ATOM 0 HB2 ASP A 14 21.778 37.163 32.525 1.00 5.45 H new ATOM 0 HB3 ASP A 14 20.751 37.222 31.353 1.00 5.45 H new ATOM 116 N SER A 15 21.519 41.181 30.768 1.00 0.50 N ATOM 117 CA SER A 15 21.399 42.094 29.649 1.00 0.50 C ATOM 118 C SER A 15 22.430 41.828 28.531 1.00 3.10 C ATOM 119 O SER A 15 22.340 42.475 27.513 1.00 12.41 O ATOM 120 CB SER A 15 21.695 43.541 30.158 1.00 2.41 C ATOM 121 OG SER A 15 20.782 43.921 31.175 1.00 11.34 O ATOM 0 H SER A 15 21.807 41.533 31.498 1.00 0.50 H new ATOM 0 HA SER A 15 20.504 41.976 29.293 1.00 0.50 H new ATOM 0 HB2 SER A 15 22.602 43.588 30.499 1.00 2.41 H new ATOM 0 HB3 SER A 15 21.638 44.165 29.418 1.00 2.41 H new ATOM 0 HG SER A 15 19.996 43.811 30.901 1.00 11.34 H new ATOM 122 N SER A 16 23.373 40.914 28.836 1.00 0.50 N ATOM 123 CA SER A 16 24.492 40.686 27.819 1.00 6.57 C ATOM 124 C SER A 16 24.152 39.735 26.751 1.00 12.36 C ATOM 125 O SER A 16 24.887 39.620 25.733 1.00 8.02 O ATOM 126 CB SER A 16 25.761 40.344 28.632 1.00 4.29 C ATOM 127 OG SER A 16 25.717 38.973 28.988 1.00 18.25 O ATOM 0 H SER A 16 23.407 40.442 29.554 1.00 0.50 H new ATOM 0 HA SER A 16 24.651 41.490 27.300 1.00 6.57 H new ATOM 0 HB2 SER A 16 26.556 40.530 28.108 1.00 4.29 H new ATOM 0 HB3 SER A 16 25.810 40.897 29.428 1.00 4.29 H new ATOM 0 HG SER A 16 25.040 38.828 29.463 1.00 18.25 H new ATOM 128 N THR A 17 23.046 38.973 26.801 1.00 2.00 N ATOM 129 CA THR A 17 22.573 37.984 25.886 1.00 2.52 C ATOM 130 C THR A 17 21.099 38.212 25.581 1.00 1.22 C ATOM 131 O THR A 17 20.393 38.707 26.496 1.00 4.65 O ATOM 132 CB THR A 17 22.825 36.576 26.344 1.00 3.88 C ATOM 133 OG1 THR A 17 21.971 36.347 27.463 1.00 4.03 O ATOM 134 CG2 THR A 17 24.284 36.309 26.700 1.00 2.82 C ATOM 0 H THR A 17 22.504 39.052 27.464 1.00 2.00 H new ATOM 0 HA THR A 17 23.087 38.088 25.070 1.00 2.52 H new ATOM 0 HB THR A 17 22.632 35.963 25.618 1.00 3.88 H new ATOM 0 HG1 THR A 17 21.196 36.618 27.285 1.00 4.03 H new ATOM 0 HG21 THR A 17 24.384 35.388 26.987 1.00 2.82 H new ATOM 0 HG22 THR A 17 24.841 36.467 25.922 1.00 2.82 H new ATOM 0 HG23 THR A 17 24.556 36.902 27.418 1.00 2.82 H new ATOM 135 N SER A 18 20.640 37.946 24.411 1.00 0.50 N ATOM 136 CA SER A 18 19.240 38.136 24.055 1.00 0.98 C ATOM 137 C SER A 18 18.415 36.918 24.564 1.00 4.53 C ATOM 138 O SER A 18 17.206 37.108 24.665 1.00 2.69 O ATOM 139 CB SER A 18 18.899 38.288 22.580 1.00 1.75 C ATOM 140 OG SER A 18 19.590 37.185 21.919 1.00 26.88 O ATOM 0 H SER A 18 21.125 37.642 23.769 1.00 0.50 H new ATOM 0 HA SER A 18 19.024 38.985 24.471 1.00 0.98 H new ATOM 0 HB2 SER A 18 17.941 38.241 22.434 1.00 1.75 H new ATOM 0 HB3 SER A 18 19.196 39.145 22.237 1.00 1.75 H new ATOM 0 HG SER A 18 19.438 37.213 21.093 1.00 26.88 H new ATOM 141 N ALA A 19 19.049 35.814 24.818 1.00 6.05 N ATOM 142 CA ALA A 19 18.416 34.520 25.276 1.00 4.65 C ATOM 143 C ALA A 19 19.478 33.493 25.581 1.00 2.47 C ATOM 144 O ALA A 19 20.686 33.759 25.479 1.00 3.38 O ATOM 145 CB ALA A 19 17.589 34.026 24.055 1.00 6.37 C ATOM 0 H ALA A 19 19.903 35.752 24.737 1.00 6.05 H new ATOM 0 HA ALA A 19 17.882 34.649 26.076 1.00 4.65 H new ATOM 0 HB1 ALA A 19 17.150 33.190 24.278 1.00 6.37 H new ATOM 0 HB2 ALA A 19 16.921 34.691 23.826 1.00 6.37 H new ATOM 0 HB3 ALA A 19 18.180 33.888 23.298 1.00 6.37 H new ATOM 146 N ALA A 20 19.051 32.313 26.039 1.00 1.39 N ATOM 147 CA ALA A 20 19.965 31.209 26.344 1.00 2.59 C ATOM 148 C ALA A 20 20.420 30.562 24.971 1.00 0.50 C ATOM 149 O ALA A 20 19.520 30.258 24.208 1.00 8.99 O ATOM 150 CB ALA A 20 19.259 30.182 27.259 1.00 2.54 C ATOM 0 H ALA A 20 18.223 32.131 26.181 1.00 1.39 H new ATOM 0 HA ALA A 20 20.749 31.524 26.821 1.00 2.59 H new ATOM 0 HB1 ALA A 20 19.868 29.453 27.458 1.00 2.54 H new ATOM 0 HB2 ALA A 20 18.992 30.614 28.085 1.00 2.54 H new ATOM 0 HB3 ALA A 20 18.474 29.833 26.809 1.00 2.54 H new ATOM 151 N SER A 21 21.732 30.524 24.920 1.00 3.84 N ATOM 152 CA SER A 21 22.216 30.029 23.547 1.00 8.88 C ATOM 153 C SER A 21 22.423 28.507 23.547 1.00 7.68 C ATOM 154 O SER A 21 22.465 27.974 22.377 1.00 6.30 O ATOM 155 CB SER A 21 23.469 30.791 23.191 1.00 0.98 C ATOM 156 OG SER A 21 24.546 30.448 23.953 1.00 5.16 O ATOM 0 H SER A 21 22.309 30.730 25.524 1.00 3.84 H new ATOM 0 HA SER A 21 21.544 30.198 22.868 1.00 8.88 H new ATOM 0 HB2 SER A 21 23.680 30.636 22.257 1.00 0.98 H new ATOM 0 HB3 SER A 21 23.301 31.741 23.290 1.00 0.98 H new ATOM 0 HG SER A 21 25.214 30.898 23.714 1.00 5.16 H new ATOM 157 N SER A 22 22.528 27.898 24.716 1.00 3.42 N ATOM 158 CA SER A 22 22.749 26.452 24.767 1.00 4.95 C ATOM 159 C SER A 22 22.102 25.843 25.988 1.00 10.76 C ATOM 160 O SER A 22 21.823 26.604 26.954 1.00 10.29 O ATOM 161 CB SER A 22 24.252 26.185 24.767 1.00 6.50 C ATOM 162 OG SER A 22 24.799 26.490 26.039 1.00 7.26 O ATOM 0 H SER A 22 22.476 28.289 25.480 1.00 3.42 H new ATOM 0 HA SER A 22 22.342 26.040 23.989 1.00 4.95 H new ATOM 0 HB2 SER A 22 24.423 25.256 24.548 1.00 6.50 H new ATOM 0 HB3 SER A 22 24.683 26.722 24.084 1.00 6.50 H new ATOM 0 HG SER A 22 25.625 26.339 26.032 1.00 7.26 H new ATOM 163 N SER A 23 21.925 24.549 25.988 1.00 3.98 N ATOM 164 CA SER A 23 21.337 23.902 27.208 1.00 9.18 C ATOM 165 C SER A 23 22.194 24.168 28.429 1.00 9.51 C ATOM 166 O SER A 23 21.576 24.092 29.548 1.00 6.07 O ATOM 167 CB SER A 23 21.174 22.379 26.852 1.00 8.49 C ATOM 168 OG SER A 23 22.354 21.694 27.157 1.00 20.66 O ATOM 0 H SER A 23 22.118 24.019 25.339 1.00 3.98 H new ATOM 0 HA SER A 23 20.471 24.269 27.445 1.00 9.18 H new ATOM 0 HB2 SER A 23 20.432 22.000 27.348 1.00 8.49 H new ATOM 0 HB3 SER A 23 20.966 22.279 25.910 1.00 8.49 H new ATOM 0 HG SER A 23 22.263 20.881 26.967 1.00 20.66 H new ATOM 169 N ASN A 24 23.461 24.473 28.429 1.00 1.62 N ATOM 170 CA ASN A 24 24.362 24.777 29.497 1.00 9.59 C ATOM 171 C ASN A 24 24.319 26.223 30.056 1.00 0.50 C ATOM 172 O ASN A 24 25.145 26.490 30.972 1.00 7.23 O ATOM 173 CB ASN A 24 25.850 24.473 29.141 1.00 7.11 C ATOM 174 CG ASN A 24 26.174 22.988 29.141 1.00 20.98 C ATOM 175 OD1 ASN A 24 25.601 22.265 30.005 1.00 25.55 O ATOM 176 ND2 ASN A 24 27.043 22.608 28.276 1.00 23.13 N ATOM 0 H ASN A 24 23.878 24.512 27.678 1.00 1.62 H new ATOM 0 HA ASN A 24 24.028 24.186 30.190 1.00 9.59 H new ATOM 0 HB2 ASN A 24 26.049 24.842 28.266 1.00 7.11 H new ATOM 0 HB3 ASN A 24 26.427 24.924 29.777 1.00 7.11 H new ATOM 0 HD21 ASN A 24 27.289 21.784 28.247 1.00 23.13 H new ATOM 0 HD22 ASN A 24 27.379 23.177 27.726 1.00 23.13 H new ATOM 177 N TYR A 25 23.419 26.985 29.497 1.00 0.50 N ATOM 178 CA TYR A 25 23.316 28.431 29.955 1.00 2.72 C ATOM 179 C TYR A 25 23.230 28.507 31.480 1.00 0.50 C ATOM 180 O TYR A 25 24.071 29.078 32.141 1.00 4.32 O ATOM 181 CB TYR A 25 22.151 29.116 29.293 1.00 2.14 C ATOM 182 CG TYR A 25 21.901 30.524 29.751 1.00 13.79 C ATOM 183 CD1 TYR A 25 22.519 31.628 29.141 1.00 3.89 C ATOM 184 CD2 TYR A 25 21.047 30.752 30.870 1.00 8.92 C ATOM 185 CE1 TYR A 25 22.284 32.922 29.548 1.00 7.06 C ATOM 186 CE2 TYR A 25 20.827 32.047 31.328 1.00 2.37 C ATOM 187 CZ TYR A 25 21.430 33.112 30.667 1.00 6.09 C ATOM 188 OH TYR A 25 21.195 34.368 31.175 1.00 4.90 O ATOM 0 H TYR A 25 22.868 26.743 28.883 1.00 0.50 H new ATOM 0 HA TYR A 25 24.120 28.902 29.685 1.00 2.72 H new ATOM 0 HB2 TYR A 25 22.299 29.123 28.334 1.00 2.14 H new ATOM 0 HB3 TYR A 25 21.351 28.591 29.452 1.00 2.14 H new ATOM 0 HD1 TYR A 25 23.108 31.480 28.437 1.00 3.89 H new ATOM 0 HD2 TYR A 25 20.636 30.034 31.294 1.00 8.92 H new ATOM 0 HE1 TYR A 25 22.670 33.644 29.107 1.00 7.06 H new ATOM 0 HE2 TYR A 25 20.283 32.199 32.067 1.00 2.37 H new ATOM 0 HH TYR A 25 21.804 34.890 30.926 1.00 4.90 H new ATOM 189 N CYS A 26 22.184 27.746 31.938 1.00 1.37 N ATOM 190 CA CYS A 26 21.965 27.708 33.413 1.00 2.63 C ATOM 191 C CYS A 26 23.057 27.175 34.226 1.00 1.42 C ATOM 192 O CYS A 26 23.500 27.746 35.244 1.00 1.51 O ATOM 193 CB CYS A 26 20.609 26.908 33.616 1.00 0.50 C ATOM 194 SG CYS A 26 19.120 27.822 33.159 1.00 3.78 S ATOM 0 H CYS A 26 21.640 27.287 31.456 1.00 1.37 H new ATOM 0 HA CYS A 26 21.922 28.619 33.743 1.00 2.63 H new ATOM 0 HB2 CYS A 26 20.647 26.092 33.092 1.00 0.50 H new ATOM 0 HB3 CYS A 26 20.539 26.644 34.547 1.00 0.50 H new ATOM 195 N ASN A 27 23.734 26.033 33.820 1.00 0.50 N ATOM 196 CA ASN A 27 24.870 25.538 34.582 1.00 0.50 C ATOM 197 C ASN A 27 25.961 26.604 34.786 1.00 0.50 C ATOM 198 O ASN A 27 26.552 26.756 35.803 1.00 3.51 O ATOM 199 CB ASN A 27 25.400 24.282 33.870 1.00 3.85 C ATOM 200 CG ASN A 27 24.398 23.140 33.972 1.00 13.26 C ATOM 201 OD1 ASN A 27 23.618 23.102 34.938 1.00 5.59 O ATOM 202 ND2 ASN A 27 24.470 22.113 33.108 1.00 20.32 N ATOM 0 H ASN A 27 23.533 25.568 33.125 1.00 0.50 H new ATOM 0 HA ASN A 27 24.583 25.311 35.480 1.00 0.50 H new ATOM 0 HB2 ASN A 27 25.574 24.483 32.937 1.00 3.85 H new ATOM 0 HB3 ASN A 27 26.244 24.013 34.265 1.00 3.85 H new ATOM 0 HD21 ASN A 27 23.973 21.420 33.221 1.00 20.32 H new ATOM 0 HD22 ASN A 27 25.013 22.149 32.442 1.00 20.32 H new ATOM 203 N GLN A 28 26.210 27.251 33.616 1.00 2.69 N ATOM 204 CA GLN A 28 27.242 28.317 33.616 1.00 0.50 C ATOM 205 C GLN A 28 26.860 29.573 34.430 1.00 0.50 C ATOM 206 O GLN A 28 27.657 30.029 35.244 1.00 6.73 O ATOM 207 CB GLN A 28 27.461 28.735 32.141 1.00 10.06 C ATOM 208 CG GLN A 28 27.991 27.593 31.328 1.00 17.52 C ATOM 209 CD GLN A 28 27.871 27.784 29.802 1.00 22.30 C ATOM 210 OE1 GLN A 28 28.547 27.175 28.988 1.00 18.68 O ATOM 211 NE2 GLN A 28 27.030 28.735 29.446 1.00 22.52 N ATOM 0 H GLN A 28 25.821 27.100 32.864 1.00 2.69 H new ATOM 0 HA GLN A 28 28.037 27.955 34.038 1.00 0.50 H new ATOM 0 HB2 GLN A 28 26.623 29.044 31.762 1.00 10.06 H new ATOM 0 HB3 GLN A 28 28.082 29.479 32.102 1.00 10.06 H new ATOM 0 HG2 GLN A 28 28.925 27.457 31.553 1.00 17.52 H new ATOM 0 HG3 GLN A 28 27.518 26.785 31.580 1.00 17.52 H new ATOM 0 HE21 GLN A 28 26.568 29.146 30.043 1.00 22.52 H new ATOM 0 HE22 GLN A 28 26.944 28.944 28.616 1.00 22.52 H new ATOM 212 N MET A 29 25.666 30.029 34.176 1.00 1.05 N ATOM 213 CA MET A 29 25.121 31.285 34.837 1.00 2.45 C ATOM 214 C MET A 29 24.902 31.095 36.312 1.00 19.07 C ATOM 215 O MET A 29 25.213 32.008 37.074 1.00 0.71 O ATOM 216 CB MET A 29 23.911 31.818 34.125 1.00 3.26 C ATOM 217 CG MET A 29 24.145 32.389 32.701 1.00 1.48 C ATOM 218 SD MET A 29 25.251 33.835 32.853 1.00 7.50 S ATOM 219 CE MET A 29 23.925 34.977 33.464 1.00 2.35 C ATOM 0 H MET A 29 25.120 29.655 33.627 1.00 1.05 H new ATOM 0 HA MET A 29 25.802 31.971 34.754 1.00 2.45 H new ATOM 0 HB2 MET A 29 23.256 31.105 34.063 1.00 3.26 H new ATOM 0 HB3 MET A 29 23.519 32.517 34.672 1.00 3.26 H new ATOM 0 HG2 MET A 29 24.542 31.716 32.126 1.00 1.48 H new ATOM 0 HG3 MET A 29 23.302 32.647 32.296 1.00 1.48 H new ATOM 0 HE1 MET A 29 23.896 35.768 32.904 1.00 2.35 H new ATOM 0 HE2 MET A 29 23.067 34.525 33.430 1.00 2.35 H new ATOM 0 HE3 MET A 29 24.117 35.236 34.379 1.00 2.35 H new ATOM 220 N MET A 30 24.313 29.915 36.718 1.00 0.50 N ATOM 221 CA MET A 30 24.138 29.725 38.142 1.00 3.70 C ATOM 222 C MET A 30 25.407 29.763 38.854 1.00 5.92 C ATOM 223 O MET A 30 25.585 30.296 39.973 1.00 4.25 O ATOM 224 CB MET A 30 23.298 28.469 38.397 1.00 0.50 C ATOM 225 CG MET A 30 21.956 28.469 37.837 1.00 0.50 C ATOM 226 SD MET A 30 20.867 29.725 38.651 1.00 2.94 S ATOM 227 CE MET A 30 20.839 29.078 40.278 1.00 1.00 C ATOM 0 H MET A 30 24.039 29.280 36.207 1.00 0.50 H new ATOM 0 HA MET A 30 23.638 30.470 38.511 1.00 3.70 H new ATOM 0 HB2 MET A 30 23.777 27.704 38.041 1.00 0.50 H new ATOM 0 HB3 MET A 30 23.228 28.338 39.356 1.00 0.50 H new ATOM 0 HG2 MET A 30 22.003 28.651 36.885 1.00 0.50 H new ATOM 0 HG3 MET A 30 21.564 27.588 37.938 1.00 0.50 H new ATOM 0 HE1 MET A 30 20.370 29.694 40.863 1.00 1.00 H new ATOM 0 HE2 MET A 30 20.383 28.222 40.278 1.00 1.00 H new ATOM 0 HE3 MET A 30 21.748 28.960 40.595 1.00 1.00 H new ATOM 228 N LYS A 31 26.453 29.078 38.295 1.00 0.50 N ATOM 229 CA LYS A 31 27.780 29.078 38.905 1.00 0.50 C ATOM 230 C LYS A 31 28.502 30.486 38.854 1.00 0.50 C ATOM 231 O LYS A 31 29.005 30.829 39.973 1.00 2.44 O ATOM 232 CB LYS A 31 28.649 28.088 38.142 1.00 4.94 C ATOM 233 CG LYS A 31 30.064 28.050 38.753 1.00 10.61 C ATOM 234 CD LYS A 31 30.948 27.023 38.041 1.00 24.11 C ATOM 235 CE LYS A 31 31.731 26.223 39.109 1.00 41.63 C ATOM 236 NZ LYS A 31 32.101 27.099 40.278 1.00 28.00 N ATOM 0 H LYS A 31 26.394 28.618 37.570 1.00 0.50 H new ATOM 0 HA LYS A 31 27.664 28.843 39.839 1.00 0.50 H new ATOM 0 HB2 LYS A 31 28.251 27.204 38.174 1.00 4.94 H new ATOM 0 HB3 LYS A 31 28.699 28.343 37.207 1.00 4.94 H new ATOM 0 HG2 LYS A 31 30.470 28.929 38.690 1.00 10.61 H new ATOM 0 HG3 LYS A 31 30.006 27.832 39.696 1.00 10.61 H new ATOM 0 HD2 LYS A 31 30.405 26.425 37.504 1.00 24.11 H new ATOM 0 HD3 LYS A 31 31.562 27.468 37.436 1.00 24.11 H new ATOM 0 HE2 LYS A 31 31.193 25.477 39.417 1.00 41.63 H new ATOM 0 HE3 LYS A 31 32.534 25.850 38.714 1.00 41.63 H new ATOM 0 HZ1 LYS A 31 32.828 26.773 40.675 1.00 28.00 H new ATOM 0 HZ2 LYS A 31 32.266 27.925 39.990 1.00 28.00 H new ATOM 0 HZ3 LYS A 31 31.428 27.117 40.860 1.00 28.00 H new ATOM 237 N SER A 32 28.442 31.095 37.736 1.00 7.29 N ATOM 238 CA SER A 32 29.223 32.351 37.583 1.00 1.26 C ATOM 239 C SER A 32 28.590 33.493 38.448 1.00 0.50 C ATOM 240 O SER A 32 29.342 34.368 38.804 1.00 3.95 O ATOM 241 CB SER A 32 29.339 32.808 36.159 1.00 6.21 C ATOM 242 OG SER A 32 28.173 32.998 35.498 1.00 7.29 O ATOM 0 H SER A 32 27.986 30.846 37.051 1.00 7.29 H new ATOM 0 HA SER A 32 30.120 32.152 37.893 1.00 1.26 H new ATOM 0 HB2 SER A 32 29.837 33.640 36.145 1.00 6.21 H new ATOM 0 HB3 SER A 32 29.864 32.155 35.670 1.00 6.21 H new ATOM 0 HG SER A 32 27.893 32.262 35.206 1.00 7.29 H new ATOM 243 N ARG A 33 27.278 33.455 38.600 1.00 0.50 N ATOM 244 CA ARG A 33 26.601 34.482 39.414 1.00 5.42 C ATOM 245 C ARG A 33 26.677 34.140 40.889 1.00 6.37 C ATOM 246 O ARG A 33 26.133 34.863 41.753 1.00 6.87 O ATOM 247 CB ARG A 33 25.245 34.749 38.804 1.00 0.50 C ATOM 248 CG ARG A 33 25.169 35.396 37.430 1.00 0.50 C ATOM 249 CD ARG A 33 25.980 36.690 37.380 1.00 1.80 C ATOM 250 NE ARG A 33 25.742 37.223 36.057 1.00 6.20 N ATOM 251 CZ ARG A 33 24.665 37.832 35.600 1.00 9.36 C ATOM 252 NH1 ARG A 33 23.620 38.022 36.464 1.00 1.68 N ATOM 253 NH2 ARG A 33 24.457 38.288 34.379 1.00 3.68 N ATOM 0 H ARG A 33 26.760 32.862 38.254 1.00 0.50 H new ATOM 0 HA ARG A 33 27.049 35.342 39.394 1.00 5.42 H new ATOM 0 HB2 ARG A 33 24.774 33.902 38.755 1.00 0.50 H new ATOM 0 HB3 ARG A 33 24.752 35.313 39.421 1.00 0.50 H new ATOM 0 HG2 ARG A 33 25.501 34.778 36.760 1.00 0.50 H new ATOM 0 HG3 ARG A 33 24.243 35.583 37.209 1.00 0.50 H new ATOM 0 HD2 ARG A 33 25.694 37.312 38.067 1.00 1.80 H new ATOM 0 HD3 ARG A 33 26.924 36.520 37.527 1.00 1.80 H new ATOM 0 HE ARG A 33 26.386 37.131 35.495 1.00 6.20 H new ATOM 0 HH11 ARG A 33 23.679 37.747 37.277 1.00 1.68 H new ATOM 0 HH12 ARG A 33 22.905 38.416 36.194 1.00 1.68 H new ATOM 0 HH21 ARG A 33 25.066 38.201 33.778 1.00 3.68 H new ATOM 0 HH22 ARG A 33 23.713 38.673 34.185 1.00 3.68 H new ATOM 254 N ASN A 34 27.429 33.112 41.245 1.00 2.15 N ATOM 255 CA ASN A 34 27.652 32.655 42.618 1.00 1.04 C ATOM 256 C ASN A 34 26.327 32.047 43.228 1.00 0.50 C ATOM 257 O ASN A 34 26.314 32.008 44.500 1.00 7.18 O ATOM 258 CB ASN A 34 28.317 33.721 43.482 1.00 6.54 C ATOM 259 CG ASN A 34 29.702 34.064 42.872 1.00 11.41 C ATOM 260 OD1 ASN A 34 30.379 33.112 42.465 1.00 7.13 O ATOM 261 ND2 ASN A 34 30.129 35.320 42.821 1.00 4.82 N ATOM 0 H ASN A 34 27.848 32.633 40.666 1.00 2.15 H new ATOM 0 HA ASN A 34 28.295 31.929 42.601 1.00 1.04 H new ATOM 0 HB2 ASN A 34 27.762 34.515 43.523 1.00 6.54 H new ATOM 0 HB3 ASN A 34 28.420 33.400 44.392 1.00 6.54 H new ATOM 0 HD21 ASN A 34 30.905 35.498 42.495 1.00 4.82 H new ATOM 0 HD22 ASN A 34 29.630 35.956 43.114 1.00 4.82 H new ATOM 262 N LEU A 35 25.441 31.552 42.414 1.00 1.53 N ATOM 263 CA LEU A 35 24.219 30.981 43.076 1.00 5.74 C ATOM 264 C LEU A 35 24.426 29.535 43.482 1.00 13.32 C ATOM 265 O LEU A 35 23.350 28.888 43.838 1.00 14.07 O ATOM 266 CB LEU A 35 23.009 31.171 42.160 1.00 1.62 C ATOM 267 CG LEU A 35 22.919 32.617 41.550 1.00 6.26 C ATOM 268 CD1 LEU A 35 21.842 32.694 40.584 1.00 6.11 C ATOM 269 CD2 LEU A 35 22.833 33.645 42.669 1.00 11.04 C ATOM 0 H LEU A 35 25.481 31.519 41.556 1.00 1.53 H new ATOM 0 HA LEU A 35 24.049 31.462 43.901 1.00 5.74 H new ATOM 0 HB2 LEU A 35 23.051 30.524 41.439 1.00 1.62 H new ATOM 0 HB3 LEU A 35 22.199 30.986 42.660 1.00 1.62 H new ATOM 0 HG LEU A 35 23.726 32.825 41.054 1.00 6.26 H new ATOM 0 HD11 LEU A 35 21.800 33.591 40.217 1.00 6.11 H new ATOM 0 HD12 LEU A 35 22.003 32.060 39.868 1.00 6.11 H new ATOM 0 HD13 LEU A 35 21.001 32.483 41.019 1.00 6.11 H new ATOM 0 HD21 LEU A 35 22.778 34.535 42.287 1.00 11.04 H new ATOM 0 HD22 LEU A 35 22.043 33.474 43.206 1.00 11.04 H new ATOM 0 HD23 LEU A 35 23.623 33.582 43.228 1.00 11.04 H new ATOM 270 N THR A 36 25.619 28.964 43.432 1.00 4.65 N ATOM 271 CA THR A 36 25.782 27.517 43.788 1.00 10.49 C ATOM 272 C THR A 36 26.889 27.289 44.754 1.00 0.50 C ATOM 273 O THR A 36 27.391 26.185 45.059 1.00 4.81 O ATOM 274 CB THR A 36 25.957 26.718 42.465 1.00 6.09 C ATOM 275 OG1 THR A 36 27.195 27.251 41.957 1.00 4.77 O ATOM 276 CG2 THR A 36 24.850 26.870 41.499 1.00 4.12 C ATOM 0 H THR A 36 26.344 29.366 43.203 1.00 4.65 H new ATOM 0 HA THR A 36 24.991 27.202 44.252 1.00 10.49 H new ATOM 0 HB THR A 36 25.959 25.760 42.617 1.00 6.09 H new ATOM 0 HG1 THR A 36 27.384 26.876 41.229 1.00 4.77 H new ATOM 0 HG21 THR A 36 25.037 26.343 40.707 1.00 4.12 H new ATOM 0 HG22 THR A 36 24.023 26.564 41.903 1.00 4.12 H new ATOM 0 HG23 THR A 36 24.762 27.804 41.252 1.00 4.12 H new ATOM 277 N LYS A 37 27.420 28.431 45.161 1.00 4.69 N ATOM 278 CA LYS A 37 28.512 28.621 46.076 1.00 9.40 C ATOM 279 C LYS A 37 28.381 27.822 47.347 1.00 11.78 C ATOM 280 O LYS A 37 29.266 26.985 47.653 1.00 5.17 O ATOM 281 CB LYS A 37 28.911 30.067 46.330 1.00 4.97 C ATOM 282 CG LYS A 37 30.224 30.144 47.195 1.00 3.54 C ATOM 283 CD LYS A 37 30.504 31.552 47.653 1.00 9.78 C ATOM 284 CE LYS A 37 31.685 31.742 48.568 1.00 7.91 C ATOM 285 NZ LYS A 37 32.834 30.905 48.161 1.00 41.21 N ATOM 0 H LYS A 37 27.115 29.183 44.876 1.00 4.69 H new ATOM 0 HA LYS A 37 29.267 28.249 45.593 1.00 9.40 H new ATOM 0 HB2 LYS A 37 29.049 30.522 45.484 1.00 4.97 H new ATOM 0 HB3 LYS A 37 28.191 30.530 46.786 1.00 4.97 H new ATOM 0 HG2 LYS A 37 30.139 29.563 47.967 1.00 3.54 H new ATOM 0 HG3 LYS A 37 30.975 29.817 46.675 1.00 3.54 H new ATOM 0 HD2 LYS A 37 30.637 32.105 46.868 1.00 9.78 H new ATOM 0 HD3 LYS A 37 29.714 31.886 48.105 1.00 9.78 H new ATOM 0 HE2 LYS A 37 31.948 32.676 48.567 1.00 7.91 H new ATOM 0 HE3 LYS A 37 31.429 31.520 49.477 1.00 7.91 H new ATOM 0 HZ1 LYS A 37 33.561 31.163 48.604 1.00 41.21 H new ATOM 0 HZ2 LYS A 37 32.661 30.052 48.347 1.00 41.21 H new ATOM 0 HZ3 LYS A 37 32.973 30.996 47.287 1.00 41.21 H new ATOM 286 N ASP A 38 27.262 28.088 48.059 1.00 8.44 N ATOM 287 CA ASP A 38 26.954 27.479 49.331 1.00 8.78 C ATOM 288 C ASP A 38 25.996 26.261 49.280 1.00 0.50 C ATOM 289 O ASP A 38 26.071 25.424 50.246 1.00 4.91 O ATOM 290 CB ASP A 38 26.381 28.583 50.297 1.00 3.60 C ATOM 291 CG ASP A 38 27.457 29.611 50.551 1.00 22.74 C ATOM 292 OD1 ASP A 38 28.695 29.344 50.450 1.00 11.29 O ATOM 293 OD2 ASP A 38 27.059 30.752 50.806 1.00 6.81 O ATOM 0 H ASP A 38 26.661 28.642 47.792 1.00 8.44 H new ATOM 0 HA ASP A 38 27.790 27.112 49.658 1.00 8.78 H new ATOM 0 HB2 ASP A 38 25.601 29.003 49.902 1.00 3.60 H new ATOM 0 HB3 ASP A 38 26.095 28.183 51.133 1.00 3.60 H new ATOM 294 N ARG A 39 25.110 26.223 48.365 1.00 1.47 N ATOM 295 CA ARG A 39 24.093 25.272 48.110 1.00 0.50 C ATOM 296 C ARG A 39 23.590 25.500 46.686 1.00 1.01 C ATOM 297 O ARG A 39 23.840 26.604 46.025 1.00 3.17 O ATOM 298 CB ARG A 39 22.930 25.310 49.077 1.00 3.96 C ATOM 299 CG ARG A 39 22.193 26.642 48.975 1.00 6.97 C ATOM 300 CD ARG A 39 21.103 26.756 49.992 1.00 23.15 C ATOM 301 NE ARG A 39 20.027 27.593 49.433 1.00 13.25 N ATOM 302 CZ ARG A 39 18.817 27.175 49.026 1.00 20.33 C ATOM 303 NH1 ARG A 39 18.478 25.881 48.873 1.00 21.81 N ATOM 304 NH2 ARG A 39 17.903 28.088 48.721 1.00 47.50 N ATOM 0 H ARG A 39 25.080 26.853 47.781 1.00 1.47 H new ATOM 0 HA ARG A 39 24.487 24.393 48.227 1.00 0.50 H new ATOM 0 HB2 ARG A 39 22.319 24.581 48.886 1.00 3.96 H new ATOM 0 HB3 ARG A 39 23.251 25.181 49.983 1.00 3.96 H new ATOM 0 HG2 ARG A 39 22.823 27.370 49.094 1.00 6.97 H new ATOM 0 HG3 ARG A 39 21.816 26.735 48.086 1.00 6.97 H new ATOM 0 HD2 ARG A 39 20.762 25.877 50.221 1.00 23.15 H new ATOM 0 HD3 ARG A 39 21.445 27.149 50.810 1.00 23.15 H new ATOM 0 HE ARG A 39 20.190 28.434 49.360 1.00 13.25 H new ATOM 0 HH11 ARG A 39 19.053 25.263 49.039 1.00 21.81 H new ATOM 0 HH12 ARG A 39 17.687 25.672 48.609 1.00 21.81 H new ATOM 0 HH21 ARG A 39 18.092 28.924 48.786 1.00 47.50 H new ATOM 0 HH22 ARG A 39 17.122 27.843 48.458 1.00 47.50 H new ATOM 305 N CYS A 40 22.911 24.549 46.178 1.00 0.62 N ATOM 306 CA CYS A 40 22.320 24.587 44.856 1.00 1.29 C ATOM 307 C CYS A 40 20.979 25.386 45.008 1.00 4.38 C ATOM 308 O CYS A 40 19.947 24.815 45.415 1.00 6.48 O ATOM 309 CB CYS A 40 22.083 23.293 44.144 1.00 1.91 C ATOM 310 SG CYS A 40 23.468 22.113 44.042 1.00 3.86 S ATOM 0 H CYS A 40 22.759 23.813 46.596 1.00 0.62 H new ATOM 0 HA CYS A 40 22.978 25.002 44.276 1.00 1.29 H new ATOM 0 HB2 CYS A 40 21.341 22.845 44.579 1.00 1.91 H new ATOM 0 HB3 CYS A 40 21.799 23.498 43.239 1.00 1.91 H new ATOM 311 N LYS A 41 21.037 26.604 44.601 1.00 7.91 N ATOM 312 CA LYS A 41 19.754 27.403 44.550 1.00 2.90 C ATOM 313 C LYS A 41 18.898 26.642 43.635 1.00 6.70 C ATOM 314 O LYS A 41 19.221 26.376 42.414 1.00 5.92 O ATOM 315 CB LYS A 41 19.931 28.849 44.042 1.00 9.27 C ATOM 316 CG LYS A 41 18.722 29.763 44.042 1.00 20.19 C ATOM 317 CD LYS A 41 19.105 31.171 43.533 1.00 7.50 C ATOM 318 CE LYS A 41 18.073 32.237 43.940 1.00 8.61 C ATOM 319 NZ LYS A 41 16.893 32.199 43.126 1.00 8.94 N ATOM 0 H LYS A 41 21.749 27.016 44.350 1.00 7.91 H new ATOM 0 HA LYS A 41 19.387 27.510 45.441 1.00 2.90 H new ATOM 0 HB2 LYS A 41 20.620 29.269 44.580 1.00 9.27 H new ATOM 0 HB3 LYS A 41 20.268 28.804 43.134 1.00 9.27 H new ATOM 0 HG2 LYS A 41 18.027 29.388 43.479 1.00 20.19 H new ATOM 0 HG3 LYS A 41 18.358 29.826 44.939 1.00 20.19 H new ATOM 0 HD2 LYS A 41 19.975 31.415 43.885 1.00 7.50 H new ATOM 0 HD3 LYS A 41 19.185 31.153 42.566 1.00 7.50 H new ATOM 0 HE2 LYS A 41 17.826 32.105 44.869 1.00 8.61 H new ATOM 0 HE3 LYS A 41 18.478 33.116 43.876 1.00 8.61 H new ATOM 0 HZ1 LYS A 41 16.246 32.667 43.519 1.00 8.94 H new ATOM 0 HZ2 LYS A 41 17.071 32.551 42.328 1.00 8.94 H new ATOM 0 HZ3 LYS A 41 16.629 31.355 43.025 1.00 8.94 H new ATOM 320 N PRO A 42 17.749 26.147 44.042 1.00 3.25 N ATOM 321 CA PRO A 42 16.893 25.310 43.228 1.00 4.32 C ATOM 322 C PRO A 42 16.287 25.805 41.957 1.00 0.50 C ATOM 323 O PRO A 42 15.976 25.043 40.990 1.00 3.42 O ATOM 324 CB PRO A 42 15.774 24.891 44.245 1.00 20.66 C ATOM 325 CG PRO A 42 16.115 25.386 45.618 1.00 19.97 C ATOM 326 CD PRO A 42 17.279 26.338 45.466 1.00 6.40 C ATOM 0 HA PRO A 42 17.458 24.622 42.844 1.00 4.32 H new ATOM 0 HB2 PRO A 42 14.920 25.255 43.965 1.00 20.66 H new ATOM 0 HB3 PRO A 42 15.681 23.926 44.255 1.00 20.66 H new ATOM 0 HG2 PRO A 42 15.355 25.835 46.020 1.00 19.97 H new ATOM 0 HG3 PRO A 42 16.349 24.647 46.201 1.00 19.97 H new ATOM 0 HD2 PRO A 42 17.007 27.255 45.627 1.00 6.40 H new ATOM 0 HD3 PRO A 42 17.985 26.136 46.100 1.00 6.40 H new ATOM 327 N VAL A 43 15.786 27.061 41.957 1.00 1.53 N ATOM 328 CA VAL A 43 15.121 27.670 40.787 1.00 0.97 C ATOM 329 C VAL A 43 15.681 29.116 40.685 1.00 5.42 C ATOM 330 O VAL A 43 15.977 29.725 41.702 1.00 11.10 O ATOM 331 CB VAL A 43 13.588 27.670 40.990 1.00 18.96 C ATOM 332 CG1 VAL A 43 12.865 28.659 40.126 1.00 23.74 C ATOM 333 CG2 VAL A 43 13.013 26.261 40.736 1.00 21.28 C ATOM 0 H VAL A 43 15.825 27.582 42.640 1.00 1.53 H new ATOM 0 HA VAL A 43 15.293 27.176 39.970 1.00 0.97 H new ATOM 0 HB VAL A 43 13.444 27.938 41.911 1.00 18.96 H new ATOM 0 HG11 VAL A 43 11.913 28.607 40.302 1.00 23.74 H new ATOM 0 HG12 VAL A 43 13.182 29.554 40.324 1.00 23.74 H new ATOM 0 HG13 VAL A 43 13.032 28.456 39.192 1.00 23.74 H new ATOM 0 HG21 VAL A 43 12.052 26.275 40.867 1.00 21.28 H new ATOM 0 HG22 VAL A 43 13.211 25.990 39.826 1.00 21.28 H new ATOM 0 HG23 VAL A 43 13.414 25.631 41.355 1.00 21.28 H new ATOM 334 N ASN A 44 15.738 29.611 39.465 1.00 3.63 N ATOM 335 CA ASN A 44 16.268 30.981 39.160 1.00 4.46 C ATOM 336 C ASN A 44 15.868 31.438 37.786 1.00 7.45 C ATOM 337 O ASN A 44 15.882 30.638 36.820 1.00 9.56 O ATOM 338 CB ASN A 44 17.802 30.943 39.465 1.00 2.42 C ATOM 339 CG ASN A 44 18.215 32.427 39.566 1.00 25.05 C ATOM 340 OD1 ASN A 44 17.759 33.112 40.533 1.00 6.23 O ATOM 341 ND2 ASN A 44 19.024 32.884 38.600 1.00 4.45 N ATOM 0 H ASN A 44 15.475 29.179 38.769 1.00 3.63 H new ATOM 0 HA ASN A 44 15.876 31.669 39.721 1.00 4.46 H new ATOM 0 HB2 ASN A 44 17.986 30.469 40.291 1.00 2.42 H new ATOM 0 HB3 ASN A 44 18.291 30.488 38.761 1.00 2.42 H new ATOM 0 HD21 ASN A 44 19.276 33.706 38.604 1.00 4.45 H new ATOM 0 HD22 ASN A 44 19.291 32.355 37.977 1.00 4.45 H new ATOM 342 N THR A 45 15.441 32.655 37.634 1.00 3.33 N ATOM 343 CA THR A 45 15.056 33.226 36.312 1.00 0.50 C ATOM 344 C THR A 45 16.087 34.330 36.006 1.00 0.50 C ATOM 345 O THR A 45 16.501 35.015 36.922 1.00 5.25 O ATOM 346 CB THR A 45 13.626 33.721 36.261 1.00 4.53 C ATOM 347 OG1 THR A 45 12.801 32.579 36.464 1.00 5.65 O ATOM 348 CG2 THR A 45 13.211 34.330 34.938 1.00 2.07 C ATOM 0 H THR A 45 15.354 33.208 38.287 1.00 3.33 H new ATOM 0 HA THR A 45 15.074 32.537 35.629 1.00 0.50 H new ATOM 0 HB THR A 45 13.539 34.418 36.930 1.00 4.53 H new ATOM 0 HG1 THR A 45 11.993 32.809 36.445 1.00 5.65 H new ATOM 0 HG21 THR A 45 12.287 34.619 34.991 1.00 2.07 H new ATOM 0 HG22 THR A 45 13.777 35.092 34.741 1.00 2.07 H new ATOM 0 HG23 THR A 45 13.303 33.669 34.234 1.00 2.07 H new ATOM 349 N PHE A 46 16.439 34.368 34.786 1.00 2.03 N ATOM 350 CA PHE A 46 17.382 35.396 34.176 1.00 4.85 C ATOM 351 C PHE A 46 16.584 36.119 33.159 1.00 0.50 C ATOM 352 O PHE A 46 15.787 35.624 32.345 1.00 3.20 O ATOM 353 CB PHE A 46 18.678 34.749 33.565 1.00 3.28 C ATOM 354 CG PHE A 46 19.652 34.292 34.582 1.00 0.50 C ATOM 355 CD1 PHE A 46 20.508 35.129 35.294 1.00 0.50 C ATOM 356 CD2 PHE A 46 19.815 32.884 34.837 1.00 0.50 C ATOM 357 CE1 PHE A 46 21.409 34.711 36.261 1.00 6.38 C ATOM 358 CE2 PHE A 46 20.686 32.427 35.803 1.00 5.35 C ATOM 359 CZ PHE A 46 21.527 33.302 36.566 1.00 2.30 C ATOM 0 H PHE A 46 16.156 33.795 34.211 1.00 2.03 H new ATOM 0 HA PHE A 46 17.719 36.000 34.856 1.00 4.85 H new ATOM 0 HB2 PHE A 46 18.423 33.995 33.011 1.00 3.28 H new ATOM 0 HB3 PHE A 46 19.109 35.395 32.983 1.00 3.28 H new ATOM 0 HD1 PHE A 46 20.472 36.039 35.106 1.00 0.50 H new ATOM 0 HD2 PHE A 46 19.323 32.271 34.340 1.00 0.50 H new ATOM 0 HE1 PHE A 46 21.934 35.333 36.711 1.00 6.38 H new ATOM 0 HE2 PHE A 46 20.730 31.513 35.967 1.00 5.35 H new ATOM 0 HZ PHE A 46 22.111 32.984 37.216 1.00 2.30 H new ATOM 360 N VAL A 47 16.717 37.489 33.209 1.00 0.50 N ATOM 361 CA VAL A 47 15.994 38.364 32.345 1.00 1.82 C ATOM 362 C VAL A 47 17.009 39.050 31.277 1.00 2.73 C ATOM 363 O VAL A 47 17.909 39.620 31.836 1.00 0.63 O ATOM 364 CB VAL A 47 15.213 39.468 33.108 1.00 8.75 C ATOM 365 CG1 VAL A 47 14.328 40.306 32.192 1.00 0.50 C ATOM 366 CG2 VAL A 47 14.478 38.783 34.328 1.00 6.30 C ATOM 0 H VAL A 47 17.239 37.895 33.759 1.00 0.50 H new ATOM 0 HA VAL A 47 15.336 37.820 31.884 1.00 1.82 H new ATOM 0 HB VAL A 47 15.820 40.134 33.467 1.00 8.75 H new ATOM 0 HG11 VAL A 47 13.864 40.978 32.716 1.00 0.50 H new ATOM 0 HG12 VAL A 47 14.877 40.742 31.521 1.00 0.50 H new ATOM 0 HG13 VAL A 47 13.679 39.732 31.755 1.00 0.50 H new ATOM 0 HG21 VAL A 47 13.981 39.452 34.824 1.00 6.30 H new ATOM 0 HG22 VAL A 47 13.867 38.105 33.999 1.00 6.30 H new ATOM 0 HG23 VAL A 47 15.134 38.371 34.911 1.00 6.30 H new ATOM 367 N HIS A 48 16.654 38.745 30.056 1.00 4.53 N ATOM 368 CA HIS A 48 17.478 39.240 28.937 1.00 4.23 C ATOM 369 C HIS A 48 16.931 40.496 28.276 1.00 0.50 C ATOM 370 O HIS A 48 16.384 40.572 27.208 1.00 4.36 O ATOM 371 CB HIS A 48 17.535 38.136 27.819 1.00 2.14 C ATOM 372 CG HIS A 48 18.066 36.880 28.225 1.00 0.56 C ATOM 373 ND1 HIS A 48 19.408 36.576 28.378 1.00 6.54 N ATOM 374 CD2 HIS A 48 17.315 35.700 28.581 1.00 4.93 C ATOM 375 CE1 HIS A 48 19.482 35.320 28.734 1.00 8.07 C ATOM 376 NE2 HIS A 48 18.259 34.749 28.887 1.00 2.98 N ATOM 0 H HIS A 48 15.970 38.272 29.838 1.00 4.53 H new ATOM 0 HA HIS A 48 18.345 39.449 29.318 1.00 4.23 H new ATOM 0 HB2 HIS A 48 16.637 37.995 27.479 1.00 2.14 H new ATOM 0 HB3 HIS A 48 18.068 38.472 27.082 1.00 2.14 H new ATOM 0 HD2 HIS A 48 16.390 35.604 28.599 1.00 4.93 H new ATOM 0 HE1 HIS A 48 20.283 34.868 28.868 1.00 8.07 H new ATOM 0 HE2 HIS A 48 18.104 33.939 29.131 1.00 2.98 H new ATOM 377 N GLU A 49 17.021 41.600 29.090 1.00 2.65 N ATOM 378 CA GLU A 49 16.563 42.932 28.734 1.00 2.73 C ATOM 379 C GLU A 49 17.463 43.921 29.395 1.00 0.50 C ATOM 380 O GLU A 49 18.246 43.503 30.260 1.00 0.50 O ATOM 381 CB GLU A 49 15.134 43.122 29.293 1.00 4.38 C ATOM 382 CG GLU A 49 14.072 42.170 28.785 1.00 0.50 C ATOM 383 CD GLU A 49 13.761 42.209 27.310 1.00 1.19 C ATOM 384 OE1 GLU A 49 14.276 43.312 26.751 1.00 8.65 O ATOM 385 OE2 GLU A 49 13.052 41.409 26.700 1.00 2.82 O ATOM 0 H GLU A 49 17.363 41.563 29.878 1.00 2.65 H new ATOM 0 HA GLU A 49 16.568 43.052 27.771 1.00 2.73 H new ATOM 0 HB2 GLU A 49 15.174 43.043 30.259 1.00 4.38 H new ATOM 0 HB3 GLU A 49 14.849 44.028 29.094 1.00 4.38 H new ATOM 0 HG2 GLU A 49 14.345 41.267 29.011 1.00 0.50 H new ATOM 0 HG3 GLU A 49 13.251 42.348 29.270 1.00 0.50 H new ATOM 386 N SER A 50 17.301 45.215 29.039 1.00 5.02 N ATOM 387 CA SER A 50 18.201 46.167 29.700 1.00 7.84 C ATOM 388 C SER A 50 17.805 46.357 31.175 1.00 5.16 C ATOM 389 O SER A 50 16.567 46.167 31.379 1.00 4.63 O ATOM 390 CB SER A 50 18.141 47.537 28.988 1.00 15.80 C ATOM 391 OG SER A 50 16.844 48.070 29.192 1.00 3.51 O ATOM 0 H SER A 50 16.735 45.532 28.475 1.00 5.02 H new ATOM 0 HA SER A 50 19.101 45.809 29.653 1.00 7.84 H new ATOM 0 HB2 SER A 50 18.815 48.136 29.345 1.00 15.80 H new ATOM 0 HB3 SER A 50 18.323 47.437 28.041 1.00 15.80 H new ATOM 0 HG SER A 50 16.786 48.818 28.815 1.00 3.51 H new ATOM 392 N LEU A 51 18.735 46.776 31.938 1.00 0.50 N ATOM 393 CA LEU A 51 18.516 47.042 33.413 1.00 1.99 C ATOM 394 C LEU A 51 17.396 48.070 33.515 1.00 8.47 C ATOM 395 O LEU A 51 16.453 47.879 34.328 1.00 5.16 O ATOM 396 CB LEU A 51 19.769 47.461 34.074 1.00 6.82 C ATOM 397 CG LEU A 51 19.816 47.765 35.549 1.00 2.07 C ATOM 398 CD1 LEU A 51 19.168 46.585 36.261 1.00 3.52 C ATOM 399 CD2 LEU A 51 21.143 48.070 36.159 1.00 3.98 C ATOM 0 H LEU A 51 19.537 46.933 31.669 1.00 0.50 H new ATOM 0 HA LEU A 51 18.251 46.237 33.885 1.00 1.99 H new ATOM 0 HB2 LEU A 51 20.422 46.763 33.909 1.00 6.82 H new ATOM 0 HB3 LEU A 51 20.080 48.255 33.612 1.00 6.82 H new ATOM 0 HG LEU A 51 19.345 48.606 35.661 1.00 2.07 H new ATOM 0 HD11 LEU A 51 19.177 46.740 37.219 1.00 3.52 H new ATOM 0 HD12 LEU A 51 18.252 46.488 35.958 1.00 3.52 H new ATOM 0 HD13 LEU A 51 19.662 45.775 36.060 1.00 3.52 H new ATOM 0 HD21 LEU A 51 21.031 48.246 37.106 1.00 3.98 H new ATOM 0 HD22 LEU A 51 21.736 47.312 36.039 1.00 3.98 H new ATOM 0 HD23 LEU A 51 21.525 48.851 35.729 1.00 3.98 H new ATOM 400 N ALA A 52 17.542 49.212 32.803 1.00 2.85 N ATOM 401 CA ALA A 52 16.466 50.239 32.853 1.00 0.50 C ATOM 402 C ALA A 52 15.124 49.630 32.497 1.00 4.69 C ATOM 403 O ALA A 52 14.152 49.973 33.209 1.00 4.14 O ATOM 404 CB ALA A 52 16.848 51.419 31.938 1.00 1.35 C ATOM 0 H ALA A 52 18.219 49.406 32.309 1.00 2.85 H new ATOM 0 HA ALA A 52 16.376 50.581 33.756 1.00 0.50 H new ATOM 0 HB1 ALA A 52 16.149 52.091 31.968 1.00 1.35 H new ATOM 0 HB2 ALA A 52 17.683 51.808 32.242 1.00 1.35 H new ATOM 0 HB3 ALA A 52 16.953 51.102 31.027 1.00 1.35 H new ATOM 405 N ASP A 53 14.902 48.755 31.531 1.00 0.50 N ATOM 406 CA ASP A 53 13.604 48.184 31.226 1.00 4.96 C ATOM 407 C ASP A 53 13.031 47.347 32.396 1.00 4.18 C ATOM 408 O ASP A 53 11.749 47.385 32.548 1.00 5.48 O ATOM 409 CB ASP A 53 13.588 47.347 29.955 1.00 1.81 C ATOM 410 CG ASP A 53 13.630 48.146 28.683 1.00 10.75 C ATOM 411 OD1 ASP A 53 13.542 49.402 28.683 1.00 8.06 O ATOM 412 OD2 ASP A 53 13.688 47.461 27.666 1.00 5.94 O ATOM 0 H ASP A 53 15.527 48.467 31.016 1.00 0.50 H new ATOM 0 HA ASP A 53 13.034 48.956 31.081 1.00 4.96 H new ATOM 0 HB2 ASP A 53 14.347 46.743 29.969 1.00 1.81 H new ATOM 0 HB3 ASP A 53 12.788 46.798 29.953 1.00 1.81 H new ATOM 413 N VAL A 54 13.901 46.700 33.057 1.00 1.60 N ATOM 414 CA VAL A 54 13.535 45.862 34.226 1.00 2.12 C ATOM 415 C VAL A 54 13.183 46.776 35.447 1.00 15.72 C ATOM 416 O VAL A 54 12.122 46.585 36.057 1.00 4.47 O ATOM 417 CB VAL A 54 14.537 44.759 34.532 1.00 1.11 C ATOM 418 CG1 VAL A 54 14.289 43.997 35.803 1.00 0.53 C ATOM 419 CG2 VAL A 54 14.595 43.807 33.311 1.00 0.50 C ATOM 0 H VAL A 54 14.741 46.705 32.875 1.00 1.60 H new ATOM 0 HA VAL A 54 12.735 45.364 33.998 1.00 2.12 H new ATOM 0 HB VAL A 54 15.392 45.190 34.688 1.00 1.11 H new ATOM 0 HG11 VAL A 54 14.974 43.319 35.913 1.00 0.53 H new ATOM 0 HG12 VAL A 54 14.315 44.607 36.557 1.00 0.53 H new ATOM 0 HG13 VAL A 54 13.418 43.572 35.761 1.00 0.53 H new ATOM 0 HG21 VAL A 54 15.230 43.095 33.486 1.00 0.50 H new ATOM 0 HG22 VAL A 54 13.717 43.426 33.156 1.00 0.50 H new ATOM 0 HG23 VAL A 54 14.875 44.304 32.526 1.00 0.50 H new ATOM 420 N GLN A 55 14.053 47.689 35.701 1.00 2.54 N ATOM 421 CA GLN A 55 13.789 48.679 36.820 1.00 0.50 C ATOM 422 C GLN A 55 12.521 49.402 36.515 1.00 0.50 C ATOM 423 O GLN A 55 11.785 49.782 37.532 1.00 0.50 O ATOM 424 CB GLN A 55 15.012 49.630 36.871 1.00 0.50 C ATOM 425 CG GLN A 55 16.266 49.097 37.532 1.00 1.14 C ATOM 426 CD GLN A 55 17.474 50.049 37.227 1.00 0.50 C ATOM 427 OE1 GLN A 55 17.340 50.772 36.261 1.00 5.79 O ATOM 428 NE2 GLN A 55 18.448 49.897 38.041 1.00 0.50 N ATOM 0 H GLN A 55 14.796 47.795 35.281 1.00 2.54 H new ATOM 0 HA GLN A 55 13.682 48.255 37.686 1.00 0.50 H new ATOM 0 HB2 GLN A 55 15.235 49.885 35.962 1.00 0.50 H new ATOM 0 HB3 GLN A 55 14.746 50.439 37.335 1.00 0.50 H new ATOM 0 HG2 GLN A 55 16.132 49.028 38.490 1.00 1.14 H new ATOM 0 HG3 GLN A 55 16.458 48.203 37.207 1.00 1.14 H new ATOM 0 HE21 GLN A 55 18.385 49.333 38.687 1.00 0.50 H new ATOM 0 HE22 GLN A 55 19.167 50.359 37.943 1.00 0.50 H new ATOM 429 N ALA A 56 12.077 49.630 35.294 1.00 1.89 N ATOM 430 CA ALA A 56 10.838 50.353 34.989 1.00 2.51 C ATOM 431 C ALA A 56 9.556 49.592 35.345 1.00 6.02 C ATOM 432 O ALA A 56 8.525 50.239 35.447 1.00 0.50 O ATOM 433 CB ALA A 56 10.792 50.886 33.616 1.00 3.32 C ATOM 0 H ALA A 56 12.495 49.363 34.591 1.00 1.89 H new ATOM 0 HA ALA A 56 10.866 51.116 35.587 1.00 2.51 H new ATOM 0 HB1 ALA A 56 9.952 51.351 33.477 1.00 3.32 H new ATOM 0 HB2 ALA A 56 11.528 51.503 33.483 1.00 3.32 H new ATOM 0 HB3 ALA A 56 10.865 50.155 32.982 1.00 3.32 H new ATOM 434 N VAL A 57 9.675 48.298 35.549 1.00 0.56 N ATOM 435 CA VAL A 57 8.481 47.499 35.905 1.00 4.44 C ATOM 436 C VAL A 57 7.908 48.032 37.278 1.00 1.55 C ATOM 437 O VAL A 57 6.700 47.841 37.481 1.00 0.56 O ATOM 438 CB VAL A 57 8.820 46.053 35.752 1.00 4.78 C ATOM 439 CG1 VAL A 57 7.715 45.101 36.312 1.00 1.79 C ATOM 440 CG2 VAL A 57 8.892 45.634 34.277 1.00 3.85 C ATOM 0 H VAL A 57 10.410 47.856 35.493 1.00 0.56 H new ATOM 0 HA VAL A 57 7.722 47.602 35.310 1.00 4.44 H new ATOM 0 HB VAL A 57 9.662 45.971 36.226 1.00 4.78 H new ATOM 0 HG11 VAL A 57 7.988 44.179 36.186 1.00 1.79 H new ATOM 0 HG12 VAL A 57 7.588 45.274 37.258 1.00 1.79 H new ATOM 0 HG13 VAL A 57 6.882 45.259 35.840 1.00 1.79 H new ATOM 0 HG21 VAL A 57 9.114 44.691 34.219 1.00 3.85 H new ATOM 0 HG22 VAL A 57 8.033 45.791 33.854 1.00 3.85 H new ATOM 0 HG23 VAL A 57 9.574 46.155 33.825 1.00 3.85 H new ATOM 441 N CYS A 58 8.764 48.565 38.092 1.00 2.05 N ATOM 442 CA CYS A 58 8.368 49.097 39.465 1.00 0.50 C ATOM 443 C CYS A 58 7.307 50.201 39.363 1.00 8.25 C ATOM 444 O CYS A 58 6.866 50.734 40.380 1.00 6.09 O ATOM 445 CB CYS A 58 9.578 49.478 40.278 1.00 0.50 C ATOM 446 SG CYS A 58 10.787 48.184 40.584 1.00 2.76 S ATOM 0 H CYS A 58 9.600 48.651 37.911 1.00 2.05 H new ATOM 0 HA CYS A 58 7.940 48.379 39.957 1.00 0.50 H new ATOM 0 HB2 CYS A 58 10.027 50.211 39.828 1.00 0.50 H new ATOM 0 HB3 CYS A 58 9.273 49.816 41.135 1.00 0.50 H new ATOM 447 N SER A 59 7.025 50.582 38.092 1.00 6.78 N ATOM 448 CA SER A 59 5.993 51.571 37.888 1.00 0.50 C ATOM 449 C SER A 59 4.960 51.153 36.871 1.00 3.27 C ATOM 450 O SER A 59 4.237 51.990 36.312 1.00 4.37 O ATOM 451 CB SER A 59 6.567 52.980 37.532 1.00 8.46 C ATOM 452 OG SER A 59 7.657 52.941 36.617 1.00 14.21 O ATOM 0 H SER A 59 7.409 50.285 37.382 1.00 6.78 H new ATOM 0 HA SER A 59 5.545 51.639 38.746 1.00 0.50 H new ATOM 0 HB2 SER A 59 5.858 53.523 37.154 1.00 8.46 H new ATOM 0 HB3 SER A 59 6.856 53.418 38.348 1.00 8.46 H new ATOM 0 HG SER A 59 7.706 52.177 36.271 1.00 14.21 H new ATOM 453 N GLN A 60 4.812 49.859 36.668 1.00 6.65 N ATOM 454 CA GLN A 60 3.838 49.250 35.752 1.00 2.35 C ATOM 455 C GLN A 60 2.660 48.717 36.566 1.00 5.68 C ATOM 456 O GLN A 60 2.263 49.364 37.532 1.00 4.93 O ATOM 457 CB GLN A 60 4.559 48.298 34.786 1.00 1.92 C ATOM 458 CG GLN A 60 5.604 49.174 34.023 1.00 2.67 C ATOM 459 CD GLN A 60 6.443 48.412 33.057 1.00 8.76 C ATOM 460 OE1 GLN A 60 6.398 47.232 32.701 1.00 7.05 O ATOM 461 NE2 GLN A 60 7.415 49.212 32.447 1.00 10.31 N ATOM 0 H GLN A 60 5.295 49.275 37.075 1.00 6.65 H new ATOM 0 HA GLN A 60 3.424 49.885 35.147 1.00 2.35 H new ATOM 0 HB2 GLN A 60 4.995 47.578 35.268 1.00 1.92 H new ATOM 0 HB3 GLN A 60 3.932 47.888 34.169 1.00 1.92 H new ATOM 0 HG2 GLN A 60 5.136 49.877 33.546 1.00 2.67 H new ATOM 0 HG3 GLN A 60 6.183 49.606 34.670 1.00 2.67 H new ATOM 0 HE21 GLN A 60 7.486 50.042 32.662 1.00 10.31 H new ATOM 0 HE22 GLN A 60 7.942 48.874 31.857 1.00 10.31 H new ATOM 462 N LYS A 61 2.114 47.575 36.210 1.00 4.00 N ATOM 463 CA LYS A 61 0.877 47.080 36.922 1.00 8.54 C ATOM 464 C LYS A 61 1.114 46.547 38.244 1.00 1.36 C ATOM 465 O LYS A 61 1.719 45.520 38.498 1.00 1.87 O ATOM 466 CB LYS A 61 0.183 46.129 35.956 1.00 10.54 C ATOM 467 CG LYS A 61 -1.128 45.520 36.515 1.00 1.83 C ATOM 468 CD LYS A 61 -2.175 46.700 36.566 1.00 10.47 C ATOM 469 CE LYS A 61 -3.590 46.129 36.668 1.00 9.64 C ATOM 470 NZ LYS A 61 -4.562 47.194 37.074 1.00 10.03 N ATOM 0 H LYS A 61 2.407 47.063 35.584 1.00 4.00 H new ATOM 0 HA LYS A 61 0.289 47.822 37.135 1.00 8.54 H new ATOM 0 HB2 LYS A 61 -0.015 46.604 35.134 1.00 10.54 H new ATOM 0 HB3 LYS A 61 0.793 45.410 35.728 1.00 10.54 H new ATOM 0 HG2 LYS A 61 -1.445 44.800 35.948 1.00 1.83 H new ATOM 0 HG3 LYS A 61 -0.986 45.144 37.398 1.00 1.83 H new ATOM 0 HD2 LYS A 61 -1.993 47.273 37.327 1.00 10.47 H new ATOM 0 HD3 LYS A 61 -2.095 47.250 35.771 1.00 10.47 H new ATOM 0 HE2 LYS A 61 -3.854 45.752 35.814 1.00 9.64 H new ATOM 0 HE3 LYS A 61 -3.606 45.406 37.315 1.00 9.64 H new ATOM 0 HZ1 LYS A 61 -5.379 46.845 37.129 1.00 10.03 H new ATOM 0 HZ2 LYS A 61 -4.327 47.524 37.866 1.00 10.03 H new ATOM 0 HZ3 LYS A 61 -4.558 47.846 36.469 1.00 10.03 H new ATOM 471 N ASN A 62 0.570 47.232 39.312 1.00 2.93 N ATOM 472 CA ASN A 62 0.676 46.776 40.685 1.00 3.35 C ATOM 473 C ASN A 62 -0.150 45.444 40.787 1.00 0.50 C ATOM 474 O ASN A 62 -1.197 45.329 40.126 1.00 2.28 O ATOM 475 CB ASN A 62 0.235 47.841 41.702 1.00 2.95 C ATOM 476 CG ASN A 62 0.443 47.271 43.126 1.00 5.49 C ATOM 477 OD1 ASN A 62 -0.662 46.890 43.584 1.00 17.66 O ATOM 478 ND2 ASN A 62 1.608 47.156 43.686 1.00 5.16 N ATOM 0 H ASN A 62 0.136 47.970 39.226 1.00 2.93 H new ATOM 0 HA ASN A 62 1.603 46.609 40.915 1.00 3.35 H new ATOM 0 HB2 ASN A 62 0.751 48.654 41.585 1.00 2.95 H new ATOM 0 HB3 ASN A 62 -0.696 48.074 41.564 1.00 2.95 H new ATOM 0 HD21 ASN A 62 1.679 46.783 44.458 1.00 5.16 H new ATOM 0 HD22 ASN A 62 2.309 47.452 43.285 1.00 5.16 H new ATOM 479 N VAL A 63 0.397 44.568 41.550 1.00 0.80 N ATOM 480 CA VAL A 63 -0.178 43.198 41.804 1.00 3.04 C ATOM 481 C VAL A 63 0.531 42.665 43.025 1.00 2.85 C ATOM 482 O VAL A 63 1.652 42.932 43.432 1.00 5.31 O ATOM 483 CB VAL A 63 -0.091 42.285 40.584 1.00 1.48 C ATOM 484 CG1 VAL A 63 1.368 41.752 40.329 1.00 1.61 C ATOM 485 CG2 VAL A 63 -1.034 41.105 40.685 1.00 4.68 C ATOM 0 H VAL A 63 1.135 44.711 41.969 1.00 0.80 H new ATOM 0 HA VAL A 63 -1.132 43.243 41.971 1.00 3.04 H new ATOM 0 HB VAL A 63 -0.354 42.840 39.833 1.00 1.48 H new ATOM 0 HG11 VAL A 63 1.371 41.179 39.546 1.00 1.61 H new ATOM 0 HG12 VAL A 63 1.966 42.502 40.183 1.00 1.61 H new ATOM 0 HG13 VAL A 63 1.668 41.246 41.101 1.00 1.61 H new ATOM 0 HG21 VAL A 63 -0.947 40.552 39.892 1.00 4.68 H new ATOM 0 HG22 VAL A 63 -0.813 40.580 41.470 1.00 4.68 H new ATOM 0 HG23 VAL A 63 -1.947 41.425 40.757 1.00 4.68 H new ATOM 486 N ALA A 64 -0.278 41.866 43.788 1.00 3.97 N ATOM 487 CA ALA A 64 0.151 41.295 45.059 1.00 6.27 C ATOM 488 C ALA A 64 1.094 40.077 44.754 1.00 0.50 C ATOM 489 O ALA A 64 0.739 39.354 43.838 1.00 6.41 O ATOM 490 CB ALA A 64 -1.042 40.762 45.924 1.00 6.80 C ATOM 0 H ALA A 64 -1.081 41.655 43.565 1.00 3.97 H new ATOM 0 HA ALA A 64 0.593 41.999 45.559 1.00 6.27 H new ATOM 0 HB1 ALA A 64 -0.701 40.395 46.755 1.00 6.80 H new ATOM 0 HB2 ALA A 64 -1.651 41.491 46.119 1.00 6.80 H new ATOM 0 HB3 ALA A 64 -1.513 40.070 45.434 1.00 6.80 H new ATOM 491 N CYS A 65 2.156 40.115 45.466 1.00 2.14 N ATOM 492 CA CYS A 65 3.203 39.050 45.313 1.00 0.50 C ATOM 493 C CYS A 65 2.584 37.717 45.720 1.00 12.86 C ATOM 494 O CYS A 65 1.524 37.641 46.432 1.00 0.95 O ATOM 495 CB CYS A 65 4.339 39.316 46.280 1.00 0.50 C ATOM 496 SG CYS A 65 5.135 40.991 46.076 1.00 4.83 S ATOM 0 H CYS A 65 2.333 40.721 46.050 1.00 2.14 H new ATOM 0 HA CYS A 65 3.524 39.040 44.398 1.00 0.50 H new ATOM 0 HB2 CYS A 65 4.005 39.236 47.187 1.00 0.50 H new ATOM 0 HB3 CYS A 65 5.016 38.631 46.165 1.00 0.50 H new ATOM 497 N LYS A 66 3.261 36.614 45.313 1.00 5.54 N ATOM 498 CA LYS A 66 2.791 35.282 45.822 1.00 0.50 C ATOM 499 C LYS A 66 2.586 35.358 47.347 1.00 1.74 C ATOM 500 O LYS A 66 1.614 34.711 47.754 1.00 6.95 O ATOM 501 CB LYS A 66 3.910 34.254 45.517 1.00 2.78 C ATOM 502 CG LYS A 66 4.085 34.064 43.991 1.00 0.50 C ATOM 503 CD LYS A 66 5.146 32.884 43.889 1.00 5.16 C ATOM 504 CE LYS A 66 5.277 32.465 42.414 1.00 23.70 C ATOM 505 NZ LYS A 66 6.471 31.628 42.262 1.00 7.95 N ATOM 0 H LYS A 66 3.941 36.603 44.786 1.00 5.54 H new ATOM 0 HA LYS A 66 1.955 35.029 45.401 1.00 0.50 H new ATOM 0 HB2 LYS A 66 4.746 34.555 45.907 1.00 2.78 H new ATOM 0 HB3 LYS A 66 3.694 33.403 45.930 1.00 2.78 H new ATOM 0 HG2 LYS A 66 3.247 33.831 43.561 1.00 0.50 H new ATOM 0 HG3 LYS A 66 4.407 34.873 43.564 1.00 0.50 H new ATOM 0 HD2 LYS A 66 6.005 33.173 44.234 1.00 5.16 H new ATOM 0 HD3 LYS A 66 4.863 32.130 44.429 1.00 5.16 H new ATOM 0 HE2 LYS A 66 4.487 31.977 42.133 1.00 23.70 H new ATOM 0 HE3 LYS A 66 5.343 33.249 41.847 1.00 23.70 H new ATOM 0 HZ1 LYS A 66 6.554 31.381 41.411 1.00 7.95 H new ATOM 0 HZ2 LYS A 66 7.191 32.090 42.508 1.00 7.95 H new ATOM 0 HZ3 LYS A 66 6.394 30.904 42.774 1.00 7.95 H new ATOM 506 N ASN A 67 3.531 35.891 48.059 1.00 0.50 N ATOM 507 CA ASN A 67 3.488 35.929 49.534 1.00 4.76 C ATOM 508 C ASN A 67 2.457 36.956 50.043 1.00 3.83 C ATOM 509 O ASN A 67 2.474 36.994 51.314 1.00 5.40 O ATOM 510 CB ASN A 67 4.890 36.195 50.094 1.00 10.79 C ATOM 511 CG ASN A 67 5.243 37.679 50.195 1.00 13.68 C ATOM 512 OD1 ASN A 67 4.594 38.555 49.585 1.00 9.96 O ATOM 513 ND2 ASN A 67 6.247 37.984 51.009 1.00 35.11 N ATOM 0 H ASN A 67 4.234 36.252 47.720 1.00 0.50 H new ATOM 0 HA ASN A 67 3.195 35.063 49.857 1.00 4.76 H new ATOM 0 HB2 ASN A 67 4.959 35.794 50.975 1.00 10.79 H new ATOM 0 HB3 ASN A 67 5.544 35.753 49.530 1.00 10.79 H new ATOM 0 HD21 ASN A 67 6.468 38.806 51.129 1.00 35.11 H new ATOM 0 HD22 ASN A 67 6.676 37.359 51.416 1.00 35.11 H new ATOM 514 N GLY A 68 1.763 37.641 49.178 1.00 0.50 N ATOM 515 CA GLY A 68 0.718 38.593 49.738 1.00 3.62 C ATOM 516 C GLY A 68 1.189 40.001 49.738 1.00 4.54 C ATOM 517 O GLY A 68 0.275 40.914 49.738 1.00 4.98 O ATOM 0 H GLY A 68 1.837 37.608 48.322 1.00 0.50 H new ATOM 0 HA2 GLY A 68 -0.095 38.525 49.213 1.00 3.62 H new ATOM 0 HA3 GLY A 68 0.493 38.328 50.644 1.00 3.62 H new ATOM 518 N GLN A 69 2.486 40.267 49.738 1.00 4.05 N ATOM 519 CA GLN A 69 3.017 41.714 49.738 1.00 5.40 C ATOM 520 C GLN A 69 2.441 42.399 48.568 1.00 3.15 C ATOM 521 O GLN A 69 2.071 41.904 47.500 1.00 1.41 O ATOM 522 CB GLN A 69 4.535 41.676 49.789 1.00 2.37 C ATOM 523 CG GLN A 69 5.245 41.295 51.009 1.00 1.98 C ATOM 524 CD GLN A 69 6.748 41.333 50.907 1.00 12.00 C ATOM 525 OE1 GLN A 69 7.457 40.838 51.721 1.00 16.06 O ATOM 526 NE2 GLN A 69 7.262 41.980 49.839 1.00 2.68 N ATOM 0 H GLN A 69 3.099 39.664 49.738 1.00 4.05 H new ATOM 0 HA GLN A 69 2.747 42.225 50.517 1.00 5.40 H new ATOM 0 HB2 GLN A 69 4.826 41.069 49.091 1.00 2.37 H new ATOM 0 HB3 GLN A 69 4.848 42.561 49.544 1.00 2.37 H new ATOM 0 HG2 GLN A 69 4.968 41.886 51.727 1.00 1.98 H new ATOM 0 HG3 GLN A 69 4.973 40.398 51.259 1.00 1.98 H new ATOM 0 HE21 GLN A 69 6.737 42.334 49.257 1.00 2.68 H new ATOM 0 HE22 GLN A 69 8.114 42.038 49.741 1.00 2.68 H new ATOM 527 N THR A 70 2.176 43.731 48.771 1.00 3.12 N ATOM 528 CA THR A 70 1.555 44.568 47.754 1.00 0.50 C ATOM 529 C THR A 70 2.571 45.406 46.992 1.00 0.50 C ATOM 530 O THR A 70 2.084 46.243 46.229 1.00 5.88 O ATOM 531 CB THR A 70 0.406 45.444 48.466 1.00 7.27 C ATOM 532 OG1 THR A 70 1.041 46.167 49.433 1.00 4.14 O ATOM 533 CG2 THR A 70 -0.698 44.530 49.026 1.00 2.69 C ATOM 0 H THR A 70 2.359 44.146 49.502 1.00 3.12 H new ATOM 0 HA THR A 70 1.148 44.013 47.071 1.00 0.50 H new ATOM 0 HB THR A 70 -0.046 46.040 47.848 1.00 7.27 H new ATOM 0 HG1 THR A 70 0.482 46.646 49.837 1.00 4.14 H new ATOM 0 HG21 THR A 70 -1.382 45.071 49.451 1.00 2.69 H new ATOM 0 HG22 THR A 70 -1.094 44.020 48.302 1.00 2.69 H new ATOM 0 HG23 THR A 70 -0.315 43.922 49.678 1.00 2.69 H new ATOM 534 N ASN A 71 3.839 45.063 47.195 1.00 2.25 N ATOM 535 CA ASN A 71 4.840 45.900 46.381 1.00 0.85 C ATOM 536 C ASN A 71 5.310 45.101 45.161 1.00 5.69 C ATOM 537 O ASN A 71 6.504 45.291 44.805 1.00 4.94 O ATOM 538 CB ASN A 71 5.947 46.357 47.246 1.00 0.50 C ATOM 539 CG ASN A 71 6.817 45.253 47.805 1.00 1.48 C ATOM 540 OD1 ASN A 71 6.169 44.226 48.212 1.00 4.54 O ATOM 541 ND2 ASN A 71 8.159 45.291 47.856 1.00 2.95 N ATOM 0 H ASN A 71 4.147 44.448 47.712 1.00 2.25 H new ATOM 0 HA ASN A 71 4.411 46.702 46.043 1.00 0.85 H new ATOM 0 HB2 ASN A 71 6.506 46.966 46.739 1.00 0.50 H new ATOM 0 HB3 ASN A 71 5.575 46.863 47.985 1.00 0.50 H new ATOM 0 HD21 ASN A 71 8.597 44.619 48.166 1.00 2.95 H new ATOM 0 HD22 ASN A 71 8.580 45.988 47.579 1.00 2.95 H new ATOM 542 N CYS A 72 4.484 44.302 44.550 1.00 0.50 N ATOM 543 CA CYS A 72 4.836 43.579 43.330 1.00 3.10 C ATOM 544 C CYS A 72 4.230 44.264 42.160 1.00 5.72 C ATOM 545 O CYS A 72 3.242 45.063 42.211 1.00 0.50 O ATOM 546 CB CYS A 72 4.526 42.056 43.381 1.00 2.35 C ATOM 547 SG CYS A 72 5.795 41.029 44.093 1.00 4.75 S ATOM 0 H CYS A 72 3.683 44.150 44.825 1.00 0.50 H new ATOM 0 HA CYS A 72 5.801 43.606 43.239 1.00 3.10 H new ATOM 0 HB2 CYS A 72 3.708 41.927 43.886 1.00 2.35 H new ATOM 0 HB3 CYS A 72 4.354 41.748 42.478 1.00 2.35 H new ATOM 548 N TYR A 73 4.847 44.112 40.940 1.00 2.49 N ATOM 549 CA TYR A 73 4.462 44.720 39.719 1.00 0.76 C ATOM 550 C TYR A 73 4.726 43.769 38.498 1.00 0.99 C ATOM 551 O TYR A 73 5.758 43.160 38.600 1.00 1.39 O ATOM 552 CB TYR A 73 5.302 46.091 39.363 1.00 0.75 C ATOM 553 CG TYR A 73 5.097 47.042 40.482 1.00 0.50 C ATOM 554 CD1 TYR A 73 5.924 46.890 41.601 1.00 1.31 C ATOM 555 CD2 TYR A 73 4.036 48.032 40.482 1.00 3.44 C ATOM 556 CE1 TYR A 73 5.705 47.727 42.770 1.00 7.70 C ATOM 557 CE2 TYR A 73 3.890 48.793 41.601 1.00 0.50 C ATOM 558 CZ TYR A 73 4.658 48.641 42.720 1.00 0.50 C ATOM 559 OH TYR A 73 4.557 49.402 43.889 1.00 7.50 O ATOM 0 H TYR A 73 5.540 43.611 40.847 1.00 2.49 H new ATOM 0 HA TYR A 73 3.522 44.920 39.850 1.00 0.76 H new ATOM 0 HB2 TYR A 73 6.245 45.894 39.251 1.00 0.75 H new ATOM 0 HB3 TYR A 73 4.991 46.474 38.528 1.00 0.75 H new ATOM 0 HD1 TYR A 73 6.607 46.259 41.597 1.00 1.31 H new ATOM 0 HD2 TYR A 73 3.478 48.142 39.746 1.00 3.44 H new ATOM 0 HE1 TYR A 73 6.245 47.654 43.523 1.00 7.70 H new ATOM 0 HE2 TYR A 73 3.233 49.451 41.604 1.00 0.50 H new ATOM 0 HH TYR A 73 5.324 49.640 44.136 1.00 7.50 H new ATOM 560 N GLN A 74 3.782 43.769 37.685 1.00 3.79 N ATOM 561 CA GLN A 74 3.780 42.970 36.464 1.00 7.11 C ATOM 562 C GLN A 74 4.147 43.883 35.294 1.00 10.28 C ATOM 563 O GLN A 74 3.498 44.873 34.989 1.00 2.07 O ATOM 564 CB GLN A 74 2.482 42.247 36.159 1.00 8.05 C ATOM 565 CG GLN A 74 2.702 41.295 34.989 1.00 7.83 C ATOM 566 CD GLN A 74 1.508 40.382 34.837 1.00 12.25 C ATOM 567 OE1 GLN A 74 1.244 39.620 35.752 1.00 9.88 O ATOM 568 NE2 GLN A 74 0.946 40.458 33.616 1.00 4.09 N ATOM 0 H GLN A 74 3.070 44.240 37.791 1.00 3.79 H new ATOM 0 HA GLN A 74 4.430 42.263 36.601 1.00 7.11 H new ATOM 0 HB2 GLN A 74 2.182 41.754 36.939 1.00 8.05 H new ATOM 0 HB3 GLN A 74 1.786 42.887 35.943 1.00 8.05 H new ATOM 0 HG2 GLN A 74 2.839 41.800 34.172 1.00 7.83 H new ATOM 0 HG3 GLN A 74 3.504 40.770 35.136 1.00 7.83 H new ATOM 0 HE21 GLN A 74 1.222 41.045 33.051 1.00 4.09 H new ATOM 0 HE22 GLN A 74 0.311 39.920 33.401 1.00 4.09 H new ATOM 569 N SER A 75 5.178 43.350 34.582 1.00 3.09 N ATOM 570 CA SER A 75 5.559 44.150 33.362 1.00 5.09 C ATOM 571 C SER A 75 4.452 44.188 32.396 1.00 0.90 C ATOM 572 O SER A 75 3.788 43.198 32.040 1.00 2.59 O ATOM 573 CB SER A 75 6.826 43.465 32.752 1.00 4.39 C ATOM 574 OG SER A 75 6.442 42.285 32.040 1.00 3.94 O ATOM 0 H SER A 75 5.619 42.631 34.749 1.00 3.09 H new ATOM 0 HA SER A 75 5.751 45.072 33.595 1.00 5.09 H new ATOM 0 HB2 SER A 75 7.281 44.080 32.155 1.00 4.39 H new ATOM 0 HB3 SER A 75 7.453 43.238 33.457 1.00 4.39 H new ATOM 0 HG SER A 75 6.139 42.499 31.286 1.00 3.94 H new ATOM 575 N TYR A 76 4.201 45.368 31.735 1.00 3.76 N ATOM 576 CA TYR A 76 3.226 45.558 30.717 1.00 3.33 C ATOM 577 C TYR A 76 3.579 44.682 29.497 1.00 11.07 C ATOM 578 O TYR A 76 2.708 44.112 28.836 1.00 6.86 O ATOM 579 CB TYR A 76 3.211 47.004 30.260 1.00 2.46 C ATOM 580 CG TYR A 76 2.711 48.032 31.277 1.00 8.79 C ATOM 581 CD1 TYR A 76 1.504 47.803 31.989 1.00 35.60 C ATOM 582 CD2 TYR A 76 3.390 49.212 31.480 1.00 17.06 C ATOM 583 CE1 TYR A 76 1.033 48.755 32.904 1.00 4.11 C ATOM 584 CE2 TYR A 76 2.934 50.201 32.345 1.00 11.57 C ATOM 585 CZ TYR A 76 1.756 49.935 33.057 1.00 33.15 C ATOM 586 OH TYR A 76 1.329 50.924 33.921 1.00 21.23 O ATOM 0 H TYR A 76 4.639 46.087 31.909 1.00 3.76 H new ATOM 0 HA TYR A 76 2.359 45.316 31.078 1.00 3.33 H new ATOM 0 HB2 TYR A 76 4.112 47.249 29.997 1.00 2.46 H new ATOM 0 HB3 TYR A 76 2.657 47.067 29.466 1.00 2.46 H new ATOM 0 HD1 TYR A 76 1.024 47.019 31.848 1.00 35.60 H new ATOM 0 HD2 TYR A 76 4.186 49.354 31.020 1.00 17.06 H new ATOM 0 HE1 TYR A 76 0.258 48.602 33.396 1.00 4.11 H new ATOM 0 HE2 TYR A 76 3.391 51.005 32.447 1.00 11.57 H new ATOM 0 HH TYR A 76 1.870 51.567 33.901 1.00 21.23 H new ATOM 587 N SER A 77 4.905 44.606 29.192 1.00 6.66 N ATOM 588 CA SER A 77 5.360 43.769 28.124 1.00 15.35 C ATOM 589 C SER A 77 5.980 42.437 28.531 1.00 0.89 C ATOM 590 O SER A 77 6.527 42.247 29.599 1.00 3.64 O ATOM 591 CB SER A 77 6.509 44.568 27.310 1.00 0.50 C ATOM 592 OG SER A 77 5.741 45.672 26.700 1.00 25.09 O ATOM 0 H SER A 77 5.525 45.037 29.604 1.00 6.66 H new ATOM 0 HA SER A 77 4.561 43.564 27.613 1.00 15.35 H new ATOM 0 HB2 SER A 77 7.210 44.894 27.896 1.00 0.50 H new ATOM 0 HB3 SER A 77 6.935 44.009 26.641 1.00 0.50 H new ATOM 0 HG SER A 77 6.257 46.156 26.248 1.00 25.09 H new ATOM 593 N THR A 78 5.934 41.562 27.463 1.00 7.98 N ATOM 594 CA THR A 78 6.627 40.229 27.615 1.00 5.09 C ATOM 595 C THR A 78 8.116 40.610 27.564 1.00 9.32 C ATOM 596 O THR A 78 8.469 41.676 26.954 1.00 7.49 O ATOM 597 CB THR A 78 6.272 39.126 26.598 1.00 9.70 C ATOM 598 OG1 THR A 78 6.698 39.582 25.327 1.00 17.35 O ATOM 599 CG2 THR A 78 4.827 38.707 26.598 1.00 7.11 C ATOM 0 H THR A 78 5.544 41.704 26.710 1.00 7.98 H new ATOM 0 HA THR A 78 6.338 39.800 28.436 1.00 5.09 H new ATOM 0 HB THR A 78 6.733 38.311 26.853 1.00 9.70 H new ATOM 0 HG1 THR A 78 6.520 39.001 24.747 1.00 17.35 H new ATOM 0 HG21 THR A 78 4.691 38.014 25.933 1.00 7.11 H new ATOM 0 HG22 THR A 78 4.589 38.365 27.474 1.00 7.11 H new ATOM 0 HG23 THR A 78 4.268 39.471 26.387 1.00 7.11 H new ATOM 600 N MET A 79 8.912 39.735 28.073 1.00 5.15 N ATOM 601 CA MET A 79 10.328 39.925 28.175 1.00 1.21 C ATOM 602 C MET A 79 10.976 38.555 27.869 1.00 10.34 C ATOM 603 O MET A 79 10.313 37.527 28.124 1.00 3.70 O ATOM 604 CB MET A 79 10.728 40.420 29.548 1.00 0.50 C ATOM 605 CG MET A 79 10.241 41.942 29.802 1.00 0.50 C ATOM 606 SD MET A 79 11.025 42.475 31.277 1.00 3.84 S ATOM 607 CE MET A 79 10.627 44.264 31.226 1.00 2.75 C ATOM 0 H MET A 79 8.642 38.980 28.384 1.00 5.15 H new ATOM 0 HA MET A 79 10.627 40.603 27.549 1.00 1.21 H new ATOM 0 HB2 MET A 79 10.345 39.840 30.225 1.00 0.50 H new ATOM 0 HB3 MET A 79 11.692 40.369 29.642 1.00 0.50 H new ATOM 0 HG2 MET A 79 10.485 42.512 29.056 1.00 0.50 H new ATOM 0 HG3 MET A 79 9.276 41.986 29.889 1.00 0.50 H new ATOM 0 HE1 MET A 79 11.008 44.703 32.003 1.00 2.75 H new ATOM 0 HE2 MET A 79 10.998 44.655 30.420 1.00 2.75 H new ATOM 0 HE3 MET A 79 9.664 44.382 31.228 1.00 2.75 H new ATOM 608 N SER A 80 12.169 38.669 27.310 1.00 4.04 N ATOM 609 CA SER A 80 12.950 37.375 27.157 1.00 0.50 C ATOM 610 C SER A 80 13.541 37.070 28.480 1.00 1.67 C ATOM 611 O SER A 80 14.279 37.794 29.192 1.00 0.95 O ATOM 612 CB SER A 80 14.024 37.641 26.089 1.00 7.14 C ATOM 613 OG SER A 80 14.924 36.500 26.140 1.00 1.81 O ATOM 0 H SER A 80 12.543 39.391 27.028 1.00 4.04 H new ATOM 0 HA SER A 80 12.411 36.618 26.880 1.00 0.50 H new ATOM 0 HB2 SER A 80 13.625 37.731 25.209 1.00 7.14 H new ATOM 0 HB3 SER A 80 14.499 38.467 26.271 1.00 7.14 H new ATOM 0 HG SER A 80 15.623 36.675 25.709 1.00 1.81 H new ATOM 614 N ILE A 81 13.247 35.776 28.887 1.00 7.90 N ATOM 615 CA ILE A 81 13.765 35.244 30.158 1.00 9.73 C ATOM 616 C ILE A 81 14.266 33.797 29.955 1.00 0.50 C ATOM 617 O ILE A 81 13.837 33.150 28.988 1.00 2.34 O ATOM 618 CB ILE A 81 12.661 35.282 31.226 1.00 2.65 C ATOM 619 CG1 ILE A 81 11.481 34.444 30.717 1.00 2.55 C ATOM 620 CG2 ILE A 81 12.116 36.728 31.480 1.00 6.69 C ATOM 621 CD1 ILE A 81 11.334 33.074 31.328 1.00 22.24 C ATOM 0 H ILE A 81 12.762 35.226 28.438 1.00 7.90 H new ATOM 0 HA ILE A 81 14.508 35.792 30.456 1.00 9.73 H new ATOM 0 HB ILE A 81 13.042 34.945 32.052 1.00 2.65 H new ATOM 0 HG12 ILE A 81 10.662 34.940 30.876 1.00 2.55 H new ATOM 0 HG13 ILE A 81 11.569 34.343 29.756 1.00 2.55 H new ATOM 0 HG21 ILE A 81 11.424 36.699 32.159 1.00 6.69 H new ATOM 0 HG22 ILE A 81 12.840 37.299 31.781 1.00 6.69 H new ATOM 0 HG23 ILE A 81 11.745 37.084 30.657 1.00 6.69 H new ATOM 0 HD11 ILE A 81 10.564 32.628 30.942 1.00 22.24 H new ATOM 0 HD12 ILE A 81 12.132 32.552 31.149 1.00 22.24 H new ATOM 0 HD13 ILE A 81 11.211 33.158 32.286 1.00 22.24 H new ATOM 622 N THR A 82 15.092 33.379 30.870 1.00 0.50 N ATOM 623 CA THR A 82 15.579 31.970 30.921 1.00 0.50 C ATOM 624 C THR A 82 15.227 31.514 32.345 1.00 0.59 C ATOM 625 O THR A 82 15.582 32.085 33.362 1.00 1.20 O ATOM 626 CB THR A 82 17.097 31.856 30.667 1.00 8.84 C ATOM 627 OG1 THR A 82 17.286 32.237 29.293 1.00 0.92 O ATOM 628 CG2 THR A 82 17.539 30.410 30.870 1.00 7.94 C ATOM 0 H THR A 82 15.405 33.881 31.494 1.00 0.50 H new ATOM 0 HA THR A 82 15.172 31.425 30.229 1.00 0.50 H new ATOM 0 HB THR A 82 17.613 32.414 31.270 1.00 8.84 H new ATOM 0 HG1 THR A 82 16.628 31.980 28.838 1.00 0.92 H new ATOM 0 HG21 THR A 82 18.493 30.338 30.710 1.00 7.94 H new ATOM 0 HG22 THR A 82 17.342 30.136 31.779 1.00 7.94 H new ATOM 0 HG23 THR A 82 17.063 29.836 30.249 1.00 7.94 H new ATOM 629 N ASP A 83 14.534 30.372 32.294 1.00 6.57 N ATOM 630 CA ASP A 83 14.168 29.687 33.565 1.00 5.78 C ATOM 631 C ASP A 83 15.170 28.621 33.870 1.00 0.50 C ATOM 632 O ASP A 83 15.420 27.822 32.904 1.00 4.15 O ATOM 633 CB ASP A 83 12.738 29.154 33.413 1.00 12.43 C ATOM 634 CG ASP A 83 12.209 28.355 34.633 1.00 50.47 C ATOM 635 OD1 ASP A 83 12.577 27.137 34.684 1.00 13.65 O ATOM 636 OD2 ASP A 83 11.517 28.849 35.498 1.00 15.29 O ATOM 0 H ASP A 83 14.271 29.983 31.573 1.00 6.57 H new ATOM 0 HA ASP A 83 14.184 30.294 34.321 1.00 5.78 H new ATOM 0 HB2 ASP A 83 12.143 29.902 33.250 1.00 12.43 H new ATOM 0 HB3 ASP A 83 12.700 28.585 32.628 1.00 12.43 H new ATOM 637 N CYS A 84 15.747 28.545 35.040 1.00 1.06 N ATOM 638 CA CYS A 84 16.676 27.517 35.396 1.00 0.50 C ATOM 639 C CYS A 84 16.073 26.718 36.566 1.00 32.88 C ATOM 640 O CYS A 84 15.662 27.289 37.583 1.00 6.99 O ATOM 641 CB CYS A 84 18.018 28.050 35.854 1.00 0.83 C ATOM 642 SG CYS A 84 18.738 29.230 34.684 1.00 4.95 S ATOM 0 H CYS A 84 15.603 29.111 35.671 1.00 1.06 H new ATOM 0 HA CYS A 84 16.827 26.979 34.603 1.00 0.50 H new ATOM 0 HB2 CYS A 84 17.914 28.479 36.718 1.00 0.83 H new ATOM 0 HB3 CYS A 84 18.631 27.309 35.978 1.00 0.83 H new ATOM 643 N ARG A 85 16.088 25.424 36.413 1.00 2.98 N ATOM 644 CA ARG A 85 15.544 24.473 37.481 1.00 1.71 C ATOM 645 C ARG A 85 16.487 23.331 37.685 1.00 3.76 C ATOM 646 O ARG A 85 16.884 22.798 36.617 1.00 3.25 O ATOM 647 CB ARG A 85 14.128 24.016 37.074 1.00 5.49 C ATOM 648 CG ARG A 85 13.067 25.043 37.176 1.00 25.40 C ATOM 649 CD ARG A 85 11.725 24.777 36.617 1.00 13.25 C ATOM 650 NE ARG A 85 10.915 25.995 36.973 1.00 48.85 N ATOM 651 CZ ARG A 85 10.312 26.071 38.142 1.00 59.76 C ATOM 652 NH1 ARG A 85 9.974 25.043 38.905 1.00 43.45 N ATOM 653 NH2 ARG A 85 10.298 27.289 38.702 1.00 46.79 N ATOM 0 H ARG A 85 16.399 25.029 35.715 1.00 2.98 H new ATOM 0 HA ARG A 85 15.473 24.927 38.335 1.00 1.71 H new ATOM 0 HB2 ARG A 85 14.160 23.697 36.158 1.00 5.49 H new ATOM 0 HB3 ARG A 85 13.878 23.260 37.629 1.00 5.49 H new ATOM 0 HG2 ARG A 85 12.952 25.247 38.117 1.00 25.40 H new ATOM 0 HG3 ARG A 85 13.402 25.848 36.751 1.00 25.40 H new ATOM 0 HD2 ARG A 85 11.763 24.647 35.656 1.00 13.25 H new ATOM 0 HD3 ARG A 85 11.338 23.973 36.997 1.00 13.25 H new ATOM 0 HE ARG A 85 10.846 26.643 36.412 1.00 48.85 H new ATOM 0 HH11 ARG A 85 10.147 24.241 38.647 1.00 43.45 H new ATOM 0 HH12 ARG A 85 9.581 25.177 39.658 1.00 43.45 H new ATOM 0 HH21 ARG A 85 10.667 27.952 38.298 1.00 46.79 H new ATOM 0 HH22 ARG A 85 9.920 27.407 39.465 1.00 46.79 H new ATOM 654 N GLU A 86 16.828 22.950 38.854 1.00 4.18 N ATOM 655 CA GLU A 86 17.713 21.808 39.058 1.00 0.76 C ATOM 656 C GLU A 86 17.152 20.590 38.346 1.00 6.92 C ATOM 657 O GLU A 86 15.957 20.286 38.193 1.00 4.38 O ATOM 658 CB GLU A 86 17.980 21.390 40.482 1.00 1.70 C ATOM 659 CG GLU A 86 18.777 22.151 41.397 1.00 14.96 C ATOM 660 CD GLU A 86 18.971 21.580 42.770 1.00 14.17 C ATOM 661 OE1 GLU A 86 17.852 21.732 43.482 1.00 6.18 O ATOM 662 OE2 GLU A 86 19.988 21.047 43.126 1.00 9.25 O ATOM 0 H GLU A 86 16.566 23.331 39.579 1.00 4.18 H new ATOM 0 HA GLU A 86 18.559 22.122 38.703 1.00 0.76 H new ATOM 0 HB2 GLU A 86 17.112 21.282 40.901 1.00 1.70 H new ATOM 0 HB3 GLU A 86 18.384 20.509 40.436 1.00 1.70 H new ATOM 0 HG2 GLU A 86 19.652 22.281 40.998 1.00 14.96 H new ATOM 0 HG3 GLU A 86 18.374 23.028 41.490 1.00 14.96 H new ATOM 663 N THR A 87 18.124 19.791 37.837 1.00 5.99 N ATOM 664 CA THR A 87 17.843 18.497 37.176 1.00 13.08 C ATOM 665 C THR A 87 17.800 17.470 38.346 1.00 0.50 C ATOM 666 O THR A 87 18.273 17.736 39.465 1.00 2.00 O ATOM 667 CB THR A 87 18.947 18.078 36.210 1.00 6.41 C ATOM 668 OG1 THR A 87 20.098 17.964 37.024 1.00 7.71 O ATOM 669 CG2 THR A 87 19.167 19.144 35.142 1.00 5.87 C ATOM 0 H THR A 87 18.960 19.989 37.868 1.00 5.99 H new ATOM 0 HA THR A 87 17.026 18.552 36.655 1.00 13.08 H new ATOM 0 HB THR A 87 18.731 17.256 35.742 1.00 6.41 H new ATOM 0 HG1 THR A 87 20.753 17.732 36.552 1.00 7.71 H new ATOM 0 HG21 THR A 87 19.872 18.858 34.540 1.00 5.87 H new ATOM 0 HG22 THR A 87 18.347 19.274 34.641 1.00 5.87 H new ATOM 0 HG23 THR A 87 19.423 19.978 35.565 1.00 5.87 H new ATOM 670 N GLY A 88 17.269 16.328 37.939 1.00 3.35 N ATOM 671 CA GLY A 88 17.241 15.224 38.956 1.00 3.88 C ATOM 672 C GLY A 88 18.568 14.805 39.465 1.00 10.62 C ATOM 673 O GLY A 88 18.761 14.387 40.634 1.00 4.04 O ATOM 0 H GLY A 88 16.943 16.156 37.162 1.00 3.35 H new ATOM 0 HA2 GLY A 88 16.697 15.509 39.707 1.00 3.88 H new ATOM 0 HA3 GLY A 88 16.802 14.453 38.564 1.00 3.88 H new ATOM 674 N SER A 89 19.658 14.996 38.651 1.00 2.26 N ATOM 675 CA SER A 89 21.015 14.615 39.058 1.00 0.72 C ATOM 676 C SER A 89 21.870 15.643 39.770 1.00 0.50 C ATOM 677 O SER A 89 22.932 15.414 40.278 1.00 7.07 O ATOM 678 CB SER A 89 21.735 14.196 37.786 1.00 2.45 C ATOM 679 OG SER A 89 21.145 13.017 37.278 1.00 3.51 O ATOM 0 H SER A 89 19.611 15.345 37.866 1.00 2.26 H new ATOM 0 HA SER A 89 20.897 13.924 39.729 1.00 0.72 H new ATOM 0 HB2 SER A 89 21.685 14.905 37.126 1.00 2.45 H new ATOM 0 HB3 SER A 89 22.675 14.046 37.970 1.00 2.45 H new ATOM 0 HG SER A 89 21.541 12.786 36.574 1.00 3.51 H new ATOM 680 N SER A 90 21.296 16.861 39.922 1.00 1.12 N ATOM 681 CA SER A 90 21.960 17.964 40.584 1.00 0.50 C ATOM 682 C SER A 90 22.360 17.584 41.957 1.00 1.60 C ATOM 683 O SER A 90 21.388 17.089 42.669 1.00 8.52 O ATOM 684 CB SER A 90 21.061 19.220 40.634 1.00 1.75 C ATOM 685 OG SER A 90 21.828 20.286 41.143 1.00 0.57 O ATOM 0 H SER A 90 20.507 17.051 39.636 1.00 1.12 H new ATOM 0 HA SER A 90 22.752 18.176 40.066 1.00 0.50 H new ATOM 0 HB2 SER A 90 20.729 19.434 39.748 1.00 1.75 H new ATOM 0 HB3 SER A 90 20.287 19.061 41.196 1.00 1.75 H new ATOM 0 HG SER A 90 21.414 20.652 41.776 1.00 0.57 H new ATOM 686 N LYS A 91 23.525 17.698 42.414 1.00 0.86 N ATOM 687 CA LYS A 91 24.028 17.355 43.737 1.00 1.93 C ATOM 688 C LYS A 91 25.237 18.193 44.042 1.00 5.67 C ATOM 689 O LYS A 91 26.298 18.002 43.432 1.00 6.97 O ATOM 690 CB LYS A 91 24.426 15.871 43.889 1.00 5.53 C ATOM 691 CG LYS A 91 24.693 15.452 45.313 1.00 2.18 C ATOM 692 CD LYS A 91 24.841 13.968 45.415 1.00 9.74 C ATOM 693 CE LYS A 91 24.710 13.359 46.788 1.00 15.31 C ATOM 694 NZ LYS A 91 25.920 13.549 47.602 1.00 17.45 N ATOM 0 H LYS A 91 24.153 18.017 41.921 1.00 0.86 H new ATOM 0 HA LYS A 91 23.299 17.526 44.354 1.00 1.93 H new ATOM 0 HB2 LYS A 91 23.718 15.317 43.526 1.00 5.53 H new ATOM 0 HB3 LYS A 91 25.220 15.702 43.357 1.00 5.53 H new ATOM 0 HG2 LYS A 91 25.500 15.884 45.635 1.00 2.18 H new ATOM 0 HG3 LYS A 91 23.966 15.748 45.883 1.00 2.18 H new ATOM 0 HD2 LYS A 91 24.176 13.559 44.839 1.00 9.74 H new ATOM 0 HD3 LYS A 91 25.711 13.727 45.060 1.00 9.74 H new ATOM 0 HE2 LYS A 91 23.951 13.755 47.244 1.00 15.31 H new ATOM 0 HE3 LYS A 91 24.526 12.410 46.702 1.00 15.31 H new ATOM 0 HZ1 LYS A 91 25.802 13.176 48.402 1.00 17.45 H new ATOM 0 HZ2 LYS A 91 26.614 13.167 47.197 1.00 17.45 H new ATOM 0 HZ3 LYS A 91 26.078 14.419 47.701 1.00 17.45 H new ATOM 695 N TYR A 92 25.032 18.992 45.059 1.00 2.94 N ATOM 696 CA TYR A 92 26.094 19.905 45.568 1.00 6.27 C ATOM 697 C TYR A 92 27.406 19.144 45.822 1.00 7.97 C ATOM 698 O TYR A 92 27.422 18.078 46.381 1.00 5.70 O ATOM 699 CB TYR A 92 25.654 20.552 46.890 1.00 2.98 C ATOM 700 CG TYR A 92 26.598 21.656 47.297 1.00 1.20 C ATOM 701 CD1 TYR A 92 26.509 22.950 46.788 1.00 13.88 C ATOM 702 CD2 TYR A 92 27.542 21.390 48.212 1.00 0.50 C ATOM 703 CE1 TYR A 92 27.438 23.940 47.246 1.00 1.36 C ATOM 704 CE2 TYR A 92 28.472 22.303 48.670 1.00 3.28 C ATOM 705 CZ TYR A 92 28.353 23.635 48.161 1.00 0.50 C ATOM 706 OH TYR A 92 29.341 24.435 48.721 1.00 2.60 O ATOM 0 H TYR A 92 24.288 19.040 45.488 1.00 2.94 H new ATOM 0 HA TYR A 92 26.238 20.584 44.891 1.00 6.27 H new ATOM 0 HB2 TYR A 92 24.757 20.908 46.796 1.00 2.98 H new ATOM 0 HB3 TYR A 92 25.620 19.878 47.587 1.00 2.98 H new ATOM 0 HD1 TYR A 92 25.857 23.168 46.161 1.00 13.88 H new ATOM 0 HD2 TYR A 92 27.573 20.529 48.563 1.00 0.50 H new ATOM 0 HE1 TYR A 92 27.401 24.803 46.901 1.00 1.36 H new ATOM 0 HE2 TYR A 92 29.137 22.065 49.275 1.00 3.28 H new ATOM 0 HH TYR A 92 29.298 25.206 48.390 1.00 2.60 H new ATOM 707 N PRO A 93 28.555 19.753 45.415 1.00 4.54 N ATOM 708 CA PRO A 93 28.746 21.047 44.754 1.00 7.39 C ATOM 709 C PRO A 93 28.464 21.009 43.279 1.00 13.31 C ATOM 710 O PRO A 93 28.596 22.075 42.618 1.00 12.46 O ATOM 711 CB PRO A 93 30.147 21.466 45.110 1.00 4.36 C ATOM 712 CG PRO A 93 30.943 20.172 45.313 1.00 6.54 C ATOM 713 CD PRO A 93 29.868 19.106 45.669 1.00 10.38 C ATOM 0 HA PRO A 93 28.105 21.706 45.062 1.00 7.39 H new ATOM 0 HB2 PRO A 93 30.537 22.005 44.404 1.00 4.36 H new ATOM 0 HB3 PRO A 93 30.153 22.006 45.916 1.00 4.36 H new ATOM 0 HG2 PRO A 93 31.431 19.928 44.511 1.00 6.54 H new ATOM 0 HG3 PRO A 93 31.596 20.267 46.024 1.00 6.54 H new ATOM 0 HD2 PRO A 93 29.974 18.310 45.125 1.00 10.38 H new ATOM 0 HD3 PRO A 93 29.946 18.829 46.595 1.00 10.38 H new ATOM 714 N ASN A 94 28.110 19.829 42.770 1.00 6.18 N ATOM 715 CA ASN A 94 27.842 19.715 41.346 1.00 3.09 C ATOM 716 C ASN A 94 26.368 19.981 41.041 1.00 1.90 C ATOM 717 O ASN A 94 25.601 19.106 40.634 1.00 6.54 O ATOM 718 CB ASN A 94 28.328 18.383 40.787 1.00 3.69 C ATOM 719 CG ASN A 94 29.788 18.117 41.143 1.00 20.43 C ATOM 720 OD1 ASN A 94 30.583 18.992 40.838 1.00 18.76 O ATOM 721 ND2 ASN A 94 30.069 16.937 41.702 1.00 41.15 N ATOM 0 H ASN A 94 28.022 19.102 43.222 1.00 6.18 H new ATOM 0 HA ASN A 94 28.352 20.402 40.889 1.00 3.09 H new ATOM 0 HB2 ASN A 94 27.775 17.666 41.134 1.00 3.69 H new ATOM 0 HB3 ASN A 94 28.225 18.380 39.823 1.00 3.69 H new ATOM 0 HD21 ASN A 94 30.884 16.730 41.883 1.00 41.15 H new ATOM 0 HD22 ASN A 94 29.435 16.384 41.880 1.00 41.15 H new ATOM 722 N CYS A 95 26.000 21.276 41.194 1.00 3.28 N ATOM 723 CA CYS A 95 24.658 21.808 40.838 1.00 0.50 C ATOM 724 C CYS A 95 24.435 21.770 39.363 1.00 6.15 C ATOM 725 O CYS A 95 25.274 22.227 38.600 1.00 14.57 O ATOM 726 CB CYS A 95 24.482 23.217 41.448 1.00 0.50 C ATOM 727 SG CYS A 95 24.956 23.255 43.177 1.00 2.59 S ATOM 0 H CYS A 95 26.530 21.875 41.511 1.00 3.28 H new ATOM 0 HA CYS A 95 23.970 21.240 41.219 1.00 0.50 H new ATOM 0 HB2 CYS A 95 25.018 23.854 40.951 1.00 0.50 H new ATOM 0 HB3 CYS A 95 23.557 23.495 41.360 1.00 0.50 H new ATOM 728 N ALA A 96 23.314 21.276 38.956 1.00 1.53 N ATOM 729 CA ALA A 96 22.988 21.123 37.532 1.00 5.39 C ATOM 730 C ALA A 96 21.543 21.542 37.329 1.00 7.52 C ATOM 731 O ALA A 96 20.689 21.199 38.142 1.00 10.99 O ATOM 732 CB ALA A 96 23.297 19.677 37.176 1.00 9.59 C ATOM 0 H ALA A 96 22.693 21.008 39.487 1.00 1.53 H new ATOM 0 HA ALA A 96 23.508 21.686 36.938 1.00 5.39 H new ATOM 0 HB1 ALA A 96 23.097 19.524 36.239 1.00 9.59 H new ATOM 0 HB2 ALA A 96 24.236 19.497 37.339 1.00 9.59 H new ATOM 0 HB3 ALA A 96 22.755 19.086 37.722 1.00 9.59 H new ATOM 733 N TYR A 97 21.305 22.189 36.210 1.00 2.43 N ATOM 734 CA TYR A 97 20.067 22.760 35.803 1.00 1.14 C ATOM 735 C TYR A 97 19.578 22.570 34.430 1.00 3.65 C ATOM 736 O TYR A 97 20.373 22.493 33.413 1.00 2.99 O ATOM 737 CB TYR A 97 20.273 24.396 35.905 1.00 0.50 C ATOM 738 CG TYR A 97 20.629 24.739 37.329 1.00 0.50 C ATOM 739 CD1 TYR A 97 21.883 24.701 37.888 1.00 0.50 C ATOM 740 CD2 TYR A 97 19.554 25.120 38.193 1.00 6.04 C ATOM 741 CE1 TYR A 97 22.150 25.005 39.210 1.00 7.61 C ATOM 742 CE2 TYR A 97 19.807 25.424 39.566 1.00 0.50 C ATOM 743 CZ TYR A 97 21.075 25.386 40.075 1.00 0.50 C ATOM 744 OH TYR A 97 21.504 25.576 41.346 1.00 0.50 O ATOM 0 H TYR A 97 21.923 22.311 35.625 1.00 2.43 H new ATOM 0 HA TYR A 97 19.423 22.313 36.374 1.00 1.14 H new ATOM 0 HB2 TYR A 97 20.975 24.687 35.302 1.00 0.50 H new ATOM 0 HB3 TYR A 97 19.462 24.856 35.639 1.00 0.50 H new ATOM 0 HD1 TYR A 97 22.596 24.456 37.344 1.00 0.50 H new ATOM 0 HD2 TYR A 97 18.687 25.170 37.860 1.00 6.04 H new ATOM 0 HE1 TYR A 97 23.021 24.962 39.534 1.00 7.61 H new ATOM 0 HE2 TYR A 97 19.097 25.651 40.122 1.00 0.50 H new ATOM 0 HH TYR A 97 20.849 25.759 41.839 1.00 0.50 H new ATOM 745 N LYS A 98 18.281 22.532 34.226 1.00 2.38 N ATOM 746 CA LYS A 98 17.572 22.455 33.006 1.00 0.50 C ATOM 747 C LYS A 98 17.306 23.940 32.599 1.00 12.71 C ATOM 748 O LYS A 98 16.776 24.739 33.413 1.00 4.00 O ATOM 749 CB LYS A 98 16.304 21.618 33.006 1.00 1.87 C ATOM 750 CG LYS A 98 15.492 21.580 31.735 1.00 5.98 C ATOM 751 CD LYS A 98 16.286 21.161 30.514 1.00 8.52 C ATOM 752 CE LYS A 98 15.473 21.009 29.243 1.00 31.16 C ATOM 753 NZ LYS A 98 14.824 22.303 28.836 1.00 33.56 N ATOM 0 H LYS A 98 17.739 22.554 34.893 1.00 2.38 H new ATOM 0 HA LYS A 98 18.110 21.970 32.361 1.00 0.50 H new ATOM 0 HB2 LYS A 98 16.547 20.707 33.233 1.00 1.87 H new ATOM 0 HB3 LYS A 98 15.731 21.944 33.717 1.00 1.87 H new ATOM 0 HG2 LYS A 98 14.750 20.967 31.854 1.00 5.98 H new ATOM 0 HG3 LYS A 98 15.112 22.458 31.578 1.00 5.98 H new ATOM 0 HD2 LYS A 98 16.985 21.816 30.359 1.00 8.52 H new ATOM 0 HD3 LYS A 98 16.725 20.317 30.704 1.00 8.52 H new ATOM 0 HE2 LYS A 98 16.048 20.696 28.527 1.00 31.16 H new ATOM 0 HE3 LYS A 98 14.791 20.332 29.375 1.00 31.16 H new ATOM 0 HZ1 LYS A 98 14.608 22.269 27.973 1.00 33.56 H new ATOM 0 HZ2 LYS A 98 14.089 22.432 29.321 1.00 33.56 H new ATOM 0 HZ3 LYS A 98 15.391 22.976 28.973 1.00 33.56 H new ATOM 754 N THR A 99 17.673 24.320 31.429 1.00 4.39 N ATOM 755 CA THR A 99 17.495 25.652 30.819 1.00 10.89 C ATOM 756 C THR A 99 16.241 25.652 29.955 1.00 7.53 C ATOM 757 O THR A 99 16.107 24.891 28.988 1.00 1.36 O ATOM 758 CB THR A 99 18.688 25.995 29.853 1.00 9.55 C ATOM 759 OG1 THR A 99 19.809 25.881 30.667 1.00 0.50 O ATOM 760 CG2 THR A 99 18.510 27.403 29.243 1.00 2.67 C ATOM 0 H THR A 99 18.074 23.778 30.894 1.00 4.39 H new ATOM 0 HA THR A 99 17.443 26.296 31.542 1.00 10.89 H new ATOM 0 HB THR A 99 18.752 25.410 29.082 1.00 9.55 H new ATOM 0 HG1 THR A 99 20.348 25.334 30.327 1.00 0.50 H new ATOM 0 HG21 THR A 99 19.254 27.596 28.651 1.00 2.67 H new ATOM 0 HG22 THR A 99 17.681 27.436 28.740 1.00 2.67 H new ATOM 0 HG23 THR A 99 18.483 28.063 29.954 1.00 2.67 H new ATOM 761 N THR A 100 15.298 26.566 30.158 1.00 2.32 N ATOM 762 CA THR A 100 14.088 26.756 29.446 1.00 3.69 C ATOM 763 C THR A 100 13.984 28.279 29.090 1.00 7.64 C ATOM 764 O THR A 100 14.074 29.078 30.005 1.00 8.47 O ATOM 765 CB THR A 100 12.821 26.261 30.158 1.00 9.09 C ATOM 766 OG1 THR A 100 13.117 24.891 30.463 1.00 9.06 O ATOM 767 CG2 THR A 100 11.612 26.338 29.243 1.00 5.04 C ATOM 0 H THR A 100 15.380 27.143 30.790 1.00 2.32 H new ATOM 0 HA THR A 100 14.128 26.202 28.651 1.00 3.69 H new ATOM 0 HB THR A 100 12.606 26.794 30.940 1.00 9.09 H new ATOM 0 HG1 THR A 100 12.463 24.545 30.861 1.00 9.06 H new ATOM 0 HG21 THR A 100 10.827 26.020 29.716 1.00 5.04 H new ATOM 0 HG22 THR A 100 11.473 27.257 28.967 1.00 5.04 H new ATOM 0 HG23 THR A 100 11.763 25.785 28.460 1.00 5.04 H new ATOM 768 N GLN A 101 13.909 28.469 27.819 1.00 4.65 N ATOM 769 CA GLN A 101 13.790 29.877 27.310 1.00 11.95 C ATOM 770 C GLN A 101 12.316 30.182 27.107 1.00 6.61 C ATOM 771 O GLN A 101 11.534 29.306 26.649 1.00 8.82 O ATOM 772 CB GLN A 101 14.540 30.029 26.039 1.00 21.10 C ATOM 773 CG GLN A 101 14.598 31.399 25.428 1.00 22.58 C ATOM 774 CD GLN A 101 15.248 32.465 26.242 1.00 11.30 C ATOM 775 OE1 GLN A 101 16.296 32.313 26.903 1.00 7.01 O ATOM 776 NE2 GLN A 101 14.511 33.645 26.242 1.00 4.96 N ATOM 0 H GLN A 101 13.921 27.853 27.220 1.00 4.65 H new ATOM 0 HA GLN A 101 14.169 30.500 27.950 1.00 11.95 H new ATOM 0 HB2 GLN A 101 15.450 29.730 26.191 1.00 21.10 H new ATOM 0 HB3 GLN A 101 14.149 29.427 25.387 1.00 21.10 H new ATOM 0 HG2 GLN A 101 15.068 31.334 24.582 1.00 22.58 H new ATOM 0 HG3 GLN A 101 13.692 31.680 25.228 1.00 22.58 H new ATOM 0 HE21 GLN A 101 13.794 33.704 25.771 1.00 4.96 H new ATOM 0 HE22 GLN A 101 14.772 34.315 26.713 1.00 4.96 H new ATOM 777 N ALA A 102 11.933 31.438 27.310 1.00 7.23 N ATOM 778 CA ALA A 102 10.591 31.894 27.056 1.00 13.04 C ATOM 779 C ALA A 102 10.503 33.417 27.056 1.00 2.22 C ATOM 780 O ALA A 102 11.432 34.102 27.513 1.00 7.72 O ATOM 781 CB ALA A 102 9.635 31.285 28.124 1.00 20.74 C ATOM 0 H ALA A 102 12.459 32.051 27.604 1.00 7.23 H new ATOM 0 HA ALA A 102 10.324 31.596 26.172 1.00 13.04 H new ATOM 0 HB1 ALA A 102 8.729 31.589 27.958 1.00 20.74 H new ATOM 0 HB2 ALA A 102 9.666 30.317 28.072 1.00 20.74 H new ATOM 0 HB3 ALA A 102 9.914 31.570 29.008 1.00 20.74 H new ATOM 782 N ASN A 103 9.338 33.835 26.598 1.00 11.28 N ATOM 783 CA ASN A 103 8.940 35.244 26.547 1.00 6.45 C ATOM 784 C ASN A 103 7.629 35.434 27.310 1.00 2.05 C ATOM 785 O ASN A 103 6.567 35.015 26.801 1.00 5.95 O ATOM 786 CB ASN A 103 8.673 35.700 25.123 1.00 9.84 C ATOM 787 CG ASN A 103 9.895 36.347 24.462 1.00 34.54 C ATOM 788 OD1 ASN A 103 10.779 35.624 23.953 1.00 39.06 O ATOM 789 ND2 ASN A 103 10.013 37.641 24.360 1.00 48.59 N ATOM 0 H ASN A 103 8.736 33.299 26.299 1.00 11.28 H new ATOM 0 HA ASN A 103 9.667 35.757 26.932 1.00 6.45 H new ATOM 0 HB2 ASN A 103 8.390 34.939 24.593 1.00 9.84 H new ATOM 0 HB3 ASN A 103 7.939 36.334 25.124 1.00 9.84 H new ATOM 0 HD21 ASN A 103 10.688 37.980 23.949 1.00 48.59 H new ATOM 0 HD22 ASN A 103 9.416 38.156 24.703 1.00 48.59 H new ATOM 790 N LYS A 104 7.763 35.967 28.480 1.00 2.33 N ATOM 791 CA LYS A 104 6.615 36.195 29.293 1.00 11.43 C ATOM 792 C LYS A 104 6.808 37.451 30.158 1.00 11.44 C ATOM 793 O LYS A 104 7.928 37.984 30.260 1.00 8.05 O ATOM 794 CB LYS A 104 6.395 35.015 30.260 1.00 5.73 C ATOM 795 CG LYS A 104 7.619 34.140 30.412 1.00 6.31 C ATOM 796 CD LYS A 104 7.399 32.922 31.277 1.00 19.55 C ATOM 797 CE LYS A 104 5.939 32.503 31.328 1.00 48.40 C ATOM 798 NZ LYS A 104 5.629 31.361 30.463 1.00 62.69 N ATOM 0 H LYS A 104 8.512 36.207 28.828 1.00 2.33 H new ATOM 0 HA LYS A 104 5.857 36.299 28.697 1.00 11.43 H new ATOM 0 HB2 LYS A 104 6.140 35.360 31.130 1.00 5.73 H new ATOM 0 HB3 LYS A 104 5.655 34.475 29.941 1.00 5.73 H new ATOM 0 HG2 LYS A 104 7.911 33.853 29.533 1.00 6.31 H new ATOM 0 HG3 LYS A 104 8.338 34.669 30.791 1.00 6.31 H new ATOM 0 HD2 LYS A 104 7.932 32.186 30.937 1.00 19.55 H new ATOM 0 HD3 LYS A 104 7.711 33.107 32.177 1.00 19.55 H new ATOM 0 HE2 LYS A 104 5.706 32.280 32.243 1.00 48.40 H new ATOM 0 HE3 LYS A 104 5.384 33.256 31.069 1.00 48.40 H new ATOM 0 HZ1 LYS A 104 4.765 31.161 30.533 1.00 62.69 H new ATOM 0 HZ2 LYS A 104 5.817 31.568 29.618 1.00 62.69 H new ATOM 0 HZ3 LYS A 104 6.117 30.659 30.712 1.00 62.69 H new ATOM 799 N HIS A 105 5.703 37.832 30.717 1.00 5.21 N ATOM 800 CA HIS A 105 5.660 38.973 31.582 1.00 5.65 C ATOM 801 C HIS A 105 6.384 38.593 32.853 1.00 6.13 C ATOM 802 O HIS A 105 6.281 37.375 33.209 1.00 5.66 O ATOM 803 CB HIS A 105 4.216 39.316 31.887 1.00 0.50 C ATOM 804 CG HIS A 105 3.448 39.773 30.667 1.00 0.74 C ATOM 805 ND1 HIS A 105 2.709 38.897 29.853 1.00 5.03 N ATOM 806 CD2 HIS A 105 3.329 40.991 30.056 1.00 2.18 C ATOM 807 CE1 HIS A 105 2.163 39.582 28.887 1.00 4.73 C ATOM 808 NE2 HIS A 105 2.517 40.838 28.988 1.00 10.51 N ATOM 0 H HIS A 105 4.947 37.437 30.609 1.00 5.21 H new ATOM 0 HA HIS A 105 6.077 39.745 31.170 1.00 5.65 H new ATOM 0 HB2 HIS A 105 3.777 38.539 32.267 1.00 0.50 H new ATOM 0 HB3 HIS A 105 4.190 40.014 32.560 1.00 0.50 H new ATOM 0 HD2 HIS A 105 3.735 41.783 30.327 1.00 2.18 H new ATOM 0 HE1 HIS A 105 1.608 39.232 28.228 1.00 4.73 H new ATOM 0 HE2 HIS A 105 2.271 41.468 28.457 1.00 10.51 H new ATOM 809 N ILE A 106 6.974 39.468 33.565 1.00 0.50 N ATOM 810 CA ILE A 106 7.684 39.316 34.786 1.00 0.50 C ATOM 811 C ILE A 106 6.889 40.115 35.905 1.00 0.50 C ATOM 812 O ILE A 106 6.181 41.067 35.701 1.00 4.64 O ATOM 813 CB ILE A 106 9.158 39.659 34.786 1.00 0.50 C ATOM 814 CG1 ILE A 106 9.511 41.067 34.481 1.00 2.68 C ATOM 815 CG2 ILE A 106 9.746 38.707 33.667 1.00 4.48 C ATOM 816 CD1 ILE A 106 10.941 41.562 34.735 1.00 6.20 C ATOM 0 H ILE A 106 6.974 40.291 33.316 1.00 0.50 H new ATOM 0 HA ILE A 106 7.714 38.363 34.963 1.00 0.50 H new ATOM 0 HB ILE A 106 9.515 39.540 35.680 1.00 0.50 H new ATOM 0 HG12 ILE A 106 9.313 41.219 33.544 1.00 2.68 H new ATOM 0 HG13 ILE A 106 8.913 41.634 34.993 1.00 2.68 H new ATOM 0 HG21 ILE A 106 10.702 38.852 33.588 1.00 4.48 H new ATOM 0 HG22 ILE A 106 9.579 37.782 33.908 1.00 4.48 H new ATOM 0 HG23 ILE A 106 9.318 38.902 32.818 1.00 4.48 H new ATOM 0 HD11 ILE A 106 11.009 42.497 34.486 1.00 6.20 H new ATOM 0 HD12 ILE A 106 11.156 41.461 35.675 1.00 6.20 H new ATOM 0 HD13 ILE A 106 11.563 41.041 34.204 1.00 6.20 H new ATOM 817 N ILE A 107 7.082 39.544 37.074 1.00 2.25 N ATOM 818 CA ILE A 107 6.554 40.115 38.295 1.00 3.77 C ATOM 819 C ILE A 107 7.646 40.191 39.312 1.00 1.52 C ATOM 820 O ILE A 107 8.280 39.164 39.668 1.00 1.54 O ATOM 821 CB ILE A 107 5.419 39.202 38.854 1.00 0.50 C ATOM 822 CG1 ILE A 107 4.401 38.935 37.888 1.00 0.55 C ATOM 823 CG2 ILE A 107 4.905 39.925 40.126 1.00 5.89 C ATOM 824 CD1 ILE A 107 3.060 38.212 38.142 1.00 1.83 C ATOM 0 H ILE A 107 7.523 38.814 37.185 1.00 2.25 H new ATOM 0 HA ILE A 107 6.203 41.000 38.109 1.00 3.77 H new ATOM 0 HB ILE A 107 5.744 38.315 39.074 1.00 0.50 H new ATOM 0 HG12 ILE A 107 4.164 39.799 37.515 1.00 0.55 H new ATOM 0 HG13 ILE A 107 4.838 38.432 37.183 1.00 0.55 H new ATOM 0 HG21 ILE A 107 4.191 39.406 40.527 1.00 5.89 H new ATOM 0 HG22 ILE A 107 5.632 40.019 40.761 1.00 5.89 H new ATOM 0 HG23 ILE A 107 4.570 40.803 39.886 1.00 5.89 H new ATOM 0 HD11 ILE A 107 2.556 38.165 37.315 1.00 1.83 H new ATOM 0 HD12 ILE A 107 3.233 37.314 38.467 1.00 1.83 H new ATOM 0 HD13 ILE A 107 2.548 38.702 38.804 1.00 1.83 H new ATOM 825 N VAL A 108 7.956 41.409 39.770 1.00 0.50 N ATOM 826 CA VAL A 108 9.033 41.676 40.736 1.00 4.93 C ATOM 827 C VAL A 108 8.460 42.513 41.906 1.00 0.50 C ATOM 828 O VAL A 108 7.472 43.198 41.652 1.00 2.21 O ATOM 829 CB VAL A 108 10.182 42.437 40.024 1.00 5.05 C ATOM 830 CG1 VAL A 108 10.740 41.676 38.804 1.00 2.44 C ATOM 831 CG2 VAL A 108 9.828 43.845 39.617 1.00 4.35 C ATOM 0 H VAL A 108 7.538 42.119 39.523 1.00 0.50 H new ATOM 0 HA VAL A 108 9.387 40.844 41.088 1.00 4.93 H new ATOM 0 HB VAL A 108 10.873 42.494 40.702 1.00 5.05 H new ATOM 0 HG11 VAL A 108 11.453 42.194 38.398 1.00 2.44 H new ATOM 0 HG12 VAL A 108 11.088 40.817 39.090 1.00 2.44 H new ATOM 0 HG13 VAL A 108 10.031 41.538 38.156 1.00 2.44 H new ATOM 0 HG21 VAL A 108 10.590 44.257 39.180 1.00 4.35 H new ATOM 0 HG22 VAL A 108 9.076 43.826 39.004 1.00 4.35 H new ATOM 0 HG23 VAL A 108 9.590 44.359 40.404 1.00 4.35 H new ATOM 832 N ALA A 109 9.154 42.323 42.974 1.00 0.50 N ATOM 833 CA ALA A 109 8.920 43.122 44.194 1.00 2.64 C ATOM 834 C ALA A 109 9.908 44.340 44.144 1.00 8.78 C ATOM 835 O ALA A 109 11.131 44.112 43.889 1.00 4.60 O ATOM 836 CB ALA A 109 9.143 42.513 45.568 1.00 2.99 C ATOM 0 H ALA A 109 9.779 41.737 43.045 1.00 0.50 H new ATOM 0 HA ALA A 109 7.966 43.291 44.147 1.00 2.64 H new ATOM 0 HB1 ALA A 109 8.944 43.173 46.251 1.00 2.99 H new ATOM 0 HB2 ALA A 109 8.561 41.746 45.680 1.00 2.99 H new ATOM 0 HB3 ALA A 109 10.068 42.232 45.651 1.00 2.99 H new ATOM 837 N CYS A 110 9.377 45.520 44.449 1.00 1.85 N ATOM 838 CA CYS A 110 10.321 46.700 44.449 1.00 1.32 C ATOM 839 C CYS A 110 10.441 47.347 45.771 1.00 9.81 C ATOM 840 O CYS A 110 9.469 47.347 46.585 1.00 4.63 O ATOM 841 CB CYS A 110 9.906 47.575 43.330 1.00 1.91 C ATOM 842 SG CYS A 110 9.565 46.890 41.753 1.00 1.22 S ATOM 0 H CYS A 110 8.555 45.678 44.645 1.00 1.85 H new ATOM 0 HA CYS A 110 11.238 46.423 44.294 1.00 1.32 H new ATOM 0 HB2 CYS A 110 9.109 48.049 43.616 1.00 1.91 H new ATOM 0 HB3 CYS A 110 10.603 48.239 43.210 1.00 1.91 H new ATOM 843 N GLU A 111 11.532 47.994 46.076 1.00 0.70 N ATOM 844 CA GLU A 111 11.799 48.717 47.297 1.00 2.72 C ATOM 845 C GLU A 111 12.801 49.859 47.093 1.00 15.56 C ATOM 846 O GLU A 111 13.581 49.782 46.127 1.00 10.69 O ATOM 847 CB GLU A 111 12.419 47.918 48.415 1.00 2.71 C ATOM 848 CG GLU A 111 11.565 46.700 48.822 1.00 5.40 C ATOM 849 CD GLU A 111 12.289 45.900 49.890 1.00 22.71 C ATOM 850 OE1 GLU A 111 13.380 46.509 50.297 1.00 22.97 O ATOM 851 OE2 GLU A 111 11.862 44.835 50.348 1.00 25.39 O ATOM 0 H GLU A 111 12.197 48.028 45.531 1.00 0.70 H new ATOM 0 HA GLU A 111 10.905 49.007 47.538 1.00 2.72 H new ATOM 0 HB2 GLU A 111 13.299 47.614 48.141 1.00 2.71 H new ATOM 0 HB3 GLU A 111 12.545 48.492 49.187 1.00 2.71 H new ATOM 0 HG2 GLU A 111 10.703 46.995 49.155 1.00 5.40 H new ATOM 0 HG3 GLU A 111 11.393 46.141 48.048 1.00 5.40 H new ATOM 852 N GLY A 112 12.787 50.848 47.958 1.00 6.59 N ATOM 853 CA GLY A 112 13.657 51.990 48.009 1.00 10.44 C ATOM 854 C GLY A 112 13.346 53.170 47.144 1.00 1.73 C ATOM 855 O GLY A 112 12.240 53.398 46.585 1.00 6.04 O ATOM 0 H GLY A 112 12.208 50.867 48.593 1.00 6.59 H new ATOM 0 HA2 GLY A 112 13.684 52.298 48.928 1.00 10.44 H new ATOM 0 HA3 GLY A 112 14.551 51.689 47.785 1.00 10.44 H new ATOM 856 N ASN A 113 14.334 54.083 47.195 1.00 5.78 N ATOM 857 CA ASN A 113 14.362 55.301 46.381 1.00 17.43 C ATOM 858 C ASN A 113 15.806 55.453 45.873 1.00 7.13 C ATOM 859 O ASN A 113 16.721 55.720 46.686 1.00 11.54 O ATOM 860 CB ASN A 113 13.818 56.557 47.144 1.00 12.85 C ATOM 861 CG ASN A 113 13.802 57.699 46.076 1.00 28.67 C ATOM 862 OD1 ASN A 113 14.819 58.308 45.924 1.00 54.84 O ATOM 863 ND2 ASN A 113 12.666 57.851 45.415 1.00 29.19 N ATOM 0 H ASN A 113 15.015 54.004 47.714 1.00 5.78 H new ATOM 0 HA ASN A 113 13.756 55.228 45.627 1.00 17.43 H new ATOM 0 HB2 ASN A 113 12.930 56.395 47.500 1.00 12.85 H new ATOM 0 HB3 ASN A 113 14.387 56.786 47.895 1.00 12.85 H new ATOM 0 HD21 ASN A 113 12.605 58.444 44.795 1.00 29.19 H new ATOM 0 HD22 ASN A 113 11.989 57.356 45.605 1.00 29.19 H new ATOM 864 N PRO A 114 15.966 55.187 44.601 1.00 2.08 N ATOM 865 CA PRO A 114 15.051 54.806 43.584 1.00 13.83 C ATOM 866 C PRO A 114 14.359 53.436 43.940 1.00 3.00 C ATOM 867 O PRO A 114 14.979 52.599 44.550 1.00 5.16 O ATOM 868 CB PRO A 114 15.934 54.654 42.262 1.00 9.87 C ATOM 869 CG PRO A 114 17.172 55.377 42.567 1.00 6.89 C ATOM 870 CD PRO A 114 17.425 55.263 44.042 1.00 13.33 C ATOM 0 HA PRO A 114 14.341 55.458 43.477 1.00 13.83 H new ATOM 0 HB2 PRO A 114 16.109 53.722 42.059 1.00 9.87 H new ATOM 0 HB3 PRO A 114 15.484 55.033 41.491 1.00 9.87 H new ATOM 0 HG2 PRO A 114 17.914 55.005 42.066 1.00 6.89 H new ATOM 0 HG3 PRO A 114 17.093 56.308 42.307 1.00 6.89 H new ATOM 0 HD2 PRO A 114 17.943 54.473 44.264 1.00 13.33 H new ATOM 0 HD3 PRO A 114 17.910 56.028 44.390 1.00 13.33 H new ATOM 871 N TYR A 115 13.164 53.398 43.482 1.00 12.32 N ATOM 872 CA TYR A 115 12.280 52.218 43.686 1.00 6.42 C ATOM 873 C TYR A 115 12.662 51.191 42.567 1.00 0.50 C ATOM 874 O TYR A 115 12.277 51.457 41.448 1.00 3.58 O ATOM 875 CB TYR A 115 10.850 52.713 43.533 1.00 4.10 C ATOM 876 CG TYR A 115 9.745 51.800 43.991 1.00 0.50 C ATOM 877 CD1 TYR A 115 9.850 51.381 45.364 1.00 0.50 C ATOM 878 CD2 TYR A 115 8.653 51.571 43.177 1.00 0.50 C ATOM 879 CE1 TYR A 115 8.745 50.544 45.822 1.00 0.50 C ATOM 880 CE2 TYR A 115 7.593 50.734 43.686 1.00 2.71 C ATOM 881 CZ TYR A 115 7.683 50.315 45.008 1.00 7.85 C ATOM 882 OH TYR A 115 6.622 49.554 45.415 1.00 10.02 O ATOM 0 H TYR A 115 12.802 54.038 43.036 1.00 12.32 H new ATOM 0 HA TYR A 115 12.373 51.796 44.554 1.00 6.42 H new ATOM 0 HB2 TYR A 115 10.769 53.548 44.020 1.00 4.10 H new ATOM 0 HB3 TYR A 115 10.702 52.915 42.596 1.00 4.10 H new ATOM 0 HD1 TYR A 115 10.561 51.623 45.913 1.00 0.50 H new ATOM 0 HD2 TYR A 115 8.602 51.945 42.327 1.00 0.50 H new ATOM 0 HE1 TYR A 115 8.769 50.167 46.672 1.00 0.50 H new ATOM 0 HE2 TYR A 115 6.876 50.484 43.149 1.00 2.71 H new ATOM 0 HH TYR A 115 6.530 49.623 46.247 1.00 10.02 H new ATOM 883 N VAL A 116 13.326 50.201 43.025 1.00 5.27 N ATOM 884 CA VAL A 116 13.855 49.174 42.008 1.00 7.58 C ATOM 885 C VAL A 116 13.502 47.765 42.414 1.00 6.67 C ATOM 886 O VAL A 116 13.209 47.537 43.635 1.00 2.37 O ATOM 887 CB VAL A 116 15.373 49.440 41.957 1.00 0.50 C ATOM 888 CG1 VAL A 116 15.667 50.772 41.245 1.00 4.95 C ATOM 889 CG2 VAL A 116 16.068 49.440 43.330 1.00 0.50 C ATOM 0 H VAL A 116 13.508 50.051 43.852 1.00 5.27 H new ATOM 0 HA VAL A 116 13.456 49.267 41.129 1.00 7.58 H new ATOM 0 HB VAL A 116 15.741 48.693 41.459 1.00 0.50 H new ATOM 0 HG11 VAL A 116 16.625 50.922 41.222 1.00 4.95 H new ATOM 0 HG12 VAL A 116 15.324 50.737 40.338 1.00 4.95 H new ATOM 0 HG13 VAL A 116 15.237 51.497 41.725 1.00 4.95 H new ATOM 0 HG21 VAL A 116 17.015 49.613 43.213 1.00 0.50 H new ATOM 0 HG22 VAL A 116 15.680 50.131 43.889 1.00 0.50 H new ATOM 0 HG23 VAL A 116 15.948 48.576 43.754 1.00 0.50 H new ATOM 890 N PRO A 117 13.618 46.852 41.499 1.00 27.95 N ATOM 891 CA PRO A 117 13.368 45.406 41.753 1.00 10.23 C ATOM 892 C PRO A 117 14.328 44.987 42.821 1.00 10.51 C ATOM 893 O PRO A 117 15.536 45.291 42.821 1.00 3.04 O ATOM 894 CB PRO A 117 13.602 44.759 40.431 1.00 0.50 C ATOM 895 CG PRO A 117 13.262 45.824 39.363 1.00 0.91 C ATOM 896 CD PRO A 117 13.955 47.042 40.024 1.00 2.07 C ATOM 0 HA PRO A 117 12.481 45.171 42.068 1.00 10.23 H new ATOM 0 HB2 PRO A 117 14.523 44.466 40.347 1.00 0.50 H new ATOM 0 HB3 PRO A 117 13.043 43.973 40.326 1.00 0.50 H new ATOM 0 HG2 PRO A 117 13.627 45.611 38.490 1.00 0.91 H new ATOM 0 HG3 PRO A 117 12.307 45.951 39.248 1.00 0.91 H new ATOM 0 HD2 PRO A 117 14.913 47.041 39.869 1.00 2.07 H new ATOM 0 HD3 PRO A 117 13.613 47.882 39.681 1.00 2.07 H new ATOM 897 N VAL A 118 13.813 44.112 43.686 1.00 2.36 N ATOM 898 CA VAL A 118 14.581 43.617 44.805 1.00 0.50 C ATOM 899 C VAL A 118 14.331 42.094 44.957 1.00 1.39 C ATOM 900 O VAL A 118 15.069 41.409 45.669 1.00 4.13 O ATOM 901 CB VAL A 118 14.067 44.644 45.873 1.00 38.39 C ATOM 902 CG1 VAL A 118 12.992 44.073 46.737 1.00 6.02 C ATOM 903 CG2 VAL A 118 15.158 45.482 46.483 1.00 12.62 C ATOM 0 H VAL A 118 13.015 43.796 43.634 1.00 2.36 H new ATOM 0 HA VAL A 118 15.551 43.602 44.801 1.00 0.50 H new ATOM 0 HB VAL A 118 13.577 45.352 45.426 1.00 38.39 H new ATOM 0 HG11 VAL A 118 12.705 44.740 47.380 1.00 6.02 H new ATOM 0 HG12 VAL A 118 12.238 43.811 46.185 1.00 6.02 H new ATOM 0 HG13 VAL A 118 13.333 43.296 47.207 1.00 6.02 H new ATOM 0 HG21 VAL A 118 14.773 46.092 47.131 1.00 12.62 H new ATOM 0 HG22 VAL A 118 15.801 44.905 46.924 1.00 12.62 H new ATOM 0 HG23 VAL A 118 15.604 45.989 45.787 1.00 12.62 H new ATOM 904 N HIS A 119 13.327 41.676 44.245 1.00 3.42 N ATOM 905 CA HIS A 119 12.974 40.229 44.245 1.00 4.66 C ATOM 906 C HIS A 119 12.264 39.887 43.025 1.00 0.50 C ATOM 907 O HIS A 119 11.468 40.572 42.414 1.00 1.29 O ATOM 908 CB HIS A 119 12.268 39.887 45.568 1.00 4.70 C ATOM 909 CG HIS A 119 11.236 38.821 45.466 1.00 24.29 C ATOM 910 ND1 HIS A 119 11.546 37.489 45.618 1.00 14.10 N ATOM 911 CD2 HIS A 119 9.880 39.011 45.262 1.00 59.13 C ATOM 912 CE1 HIS A 119 10.381 36.842 45.466 1.00 6.75 C ATOM 913 NE2 HIS A 119 9.305 37.756 45.313 1.00 9.54 N ATOM 0 H HIS A 119 12.828 42.177 43.755 1.00 3.42 H new ATOM 0 HA HIS A 119 13.760 39.661 44.223 1.00 4.66 H new ATOM 0 HB2 HIS A 119 12.936 39.612 46.215 1.00 4.70 H new ATOM 0 HB3 HIS A 119 11.851 40.691 45.915 1.00 4.70 H new ATOM 0 HD2 HIS A 119 9.444 39.820 45.119 1.00 59.13 H new ATOM 0 HE1 HIS A 119 10.290 35.916 45.461 1.00 6.75 H new ATOM 0 HE2 HIS A 119 8.468 37.567 45.262 1.00 9.54 H new ATOM 914 N PHE A 120 12.544 38.631 42.465 1.00 1.48 N ATOM 915 CA PHE A 120 11.879 38.136 41.296 1.00 0.50 C ATOM 916 C PHE A 120 10.759 37.185 41.804 1.00 0.90 C ATOM 917 O PHE A 120 11.114 36.119 42.313 1.00 2.26 O ATOM 918 CB PHE A 120 12.909 37.299 40.380 1.00 0.50 C ATOM 919 CG PHE A 120 12.288 36.994 39.058 1.00 3.27 C ATOM 920 CD1 PHE A 120 12.390 37.908 37.990 1.00 5.19 C ATOM 921 CD2 PHE A 120 11.522 35.814 38.854 1.00 0.50 C ATOM 922 CE1 PHE A 120 11.769 37.641 36.769 1.00 0.51 C ATOM 923 CE2 PHE A 120 10.916 35.586 37.685 1.00 3.54 C ATOM 924 CZ PHE A 120 10.988 36.461 36.617 1.00 2.03 C ATOM 0 H PHE A 120 13.127 38.089 42.789 1.00 1.48 H new ATOM 0 HA PHE A 120 11.524 38.865 40.763 1.00 0.50 H new ATOM 0 HB2 PHE A 120 13.726 37.807 40.252 1.00 0.50 H new ATOM 0 HB3 PHE A 120 13.155 36.474 40.828 1.00 0.50 H new ATOM 0 HD1 PHE A 120 12.874 38.694 38.100 1.00 5.19 H new ATOM 0 HD2 PHE A 120 11.442 35.194 39.542 1.00 0.50 H new ATOM 0 HE1 PHE A 120 11.865 38.232 36.057 1.00 0.51 H new ATOM 0 HE2 PHE A 120 10.424 34.803 37.585 1.00 3.54 H new ATOM 0 HZ PHE A 120 10.539 36.284 35.822 1.00 2.03 H new ATOM 925 N ASP A 121 9.536 37.641 41.550 1.00 4.26 N ATOM 926 CA ASP A 121 8.416 36.804 42.058 1.00 2.42 C ATOM 927 C ASP A 121 7.958 35.700 41.194 1.00 0.62 C ATOM 928 O ASP A 121 7.664 34.597 41.601 1.00 5.80 O ATOM 929 CB ASP A 121 7.267 37.832 42.364 1.00 4.94 C ATOM 930 CG ASP A 121 6.369 37.223 43.533 1.00 1.72 C ATOM 931 OD1 ASP A 121 6.975 36.918 44.500 1.00 4.49 O ATOM 932 OD2 ASP A 121 5.160 37.032 43.228 1.00 3.07 O ATOM 0 H ASP A 121 9.329 38.361 41.128 1.00 4.26 H new ATOM 0 HA ASP A 121 8.722 36.308 42.834 1.00 2.42 H new ATOM 0 HB2 ASP A 121 7.638 38.688 42.631 1.00 4.94 H new ATOM 0 HB3 ASP A 121 6.732 37.990 41.571 1.00 4.94 H new ATOM 933 N ALA A 122 7.720 35.967 39.872 1.00 1.11 N ATOM 934 CA ALA A 122 7.203 35.053 38.905 1.00 8.81 C ATOM 935 C ALA A 122 7.319 35.510 37.481 1.00 3.29 C ATOM 936 O ALA A 122 7.540 36.728 37.227 1.00 1.72 O ATOM 937 CB ALA A 122 5.611 34.863 39.210 1.00 0.50 C ATOM 0 H ALA A 122 7.878 36.742 39.534 1.00 1.11 H new ATOM 0 HA ALA A 122 7.728 34.242 38.988 1.00 8.81 H new ATOM 0 HB1 ALA A 122 5.230 34.245 38.567 1.00 0.50 H new ATOM 0 HB2 ALA A 122 5.493 34.511 40.106 1.00 0.50 H new ATOM 0 HB3 ALA A 122 5.163 35.720 39.139 1.00 0.50 H new ATOM 938 N SER A 123 7.111 34.635 36.566 1.00 5.70 N ATOM 939 CA SER A 123 6.991 34.901 35.142 1.00 4.44 C ATOM 940 C SER A 123 5.620 34.406 34.786 1.00 6.05 C ATOM 941 O SER A 123 5.193 33.302 35.244 1.00 11.05 O ATOM 942 CB SER A 123 8.110 34.254 34.328 1.00 14.97 C ATOM 943 OG SER A 123 7.978 32.808 34.277 1.00 10.32 O ATOM 0 H SER A 123 7.026 33.799 36.751 1.00 5.70 H new ATOM 0 HA SER A 123 7.090 35.843 34.931 1.00 4.44 H new ATOM 0 HB2 SER A 123 8.101 34.611 33.426 1.00 14.97 H new ATOM 0 HB3 SER A 123 8.968 34.486 34.717 1.00 14.97 H new ATOM 0 HG SER A 123 8.678 32.474 33.955 1.00 10.32 H new ATOM 944 N VAL A 124 4.838 35.167 34.023 1.00 3.20 N ATOM 945 CA VAL A 124 3.496 34.749 33.667 1.00 1.62 C ATOM 946 C VAL A 124 3.243 34.977 32.192 1.00 15.42 C ATOM 947 O VAL A 124 2.108 34.520 31.836 1.00 8.36 O ATOM 948 CB VAL A 124 2.465 35.396 34.582 1.00 1.75 C ATOM 949 CG1 VAL A 124 2.718 35.091 36.057 1.00 0.50 C ATOM 950 CG2 VAL A 124 2.362 36.918 34.430 1.00 4.33 C ATOM 951 OXT VAL A 124 3.832 35.967 31.684 1.00 14.23 O ATOM 0 H VAL A 124 5.072 35.930 33.703 1.00 3.20 H new ATOM 0 HA VAL A 124 3.406 33.794 33.809 1.00 1.62 H new ATOM 0 HB VAL A 124 1.628 34.999 34.295 1.00 1.75 H new ATOM 0 HG11 VAL A 124 2.039 35.523 36.598 1.00 0.50 H new ATOM 0 HG12 VAL A 124 2.684 34.132 36.200 1.00 0.50 H new ATOM 0 HG13 VAL A 124 3.593 35.424 36.311 1.00 0.50 H new ATOM 0 HG21 VAL A 124 1.690 37.260 35.040 1.00 4.33 H new ATOM 0 HG22 VAL A 124 3.219 37.323 34.635 1.00 4.33 H new ATOM 0 HG23 VAL A 124 2.112 37.136 33.519 1.00 4.33 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