USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE (NUCLEIC ACID,RNA) 13-AUG-91 4RAT 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 4RAT 1 VERSN REVDAT 2 01-APR-03 4RAT 1 JRNL REVDAT 1 15-JUL-93 4RAT 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 : 14646 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.149 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 951 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.026 ; 0.030 REMARK 3 ANGLE DISTANCE (A) : 0.037 ; 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) : 0.019 ; 0.025 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.170 ; 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) : 3.500 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 13.600; 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 4RAT 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 (%): 41.44 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10 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 19.09000 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 ARG A 10 CZ ARG A 10 NH1 0.089 REMARK 500 MET A 29 C MET A 29 O 0.123 REMARK 500 SER A 89 CB SER A 89 OG 0.094 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 10 CD - NE - CZ ANGL. DEV. = 10.9 DEGREES REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG A 10 NE - CZ - NH2 ANGL. DEV. = 7.7 DEGREES REMARK 500 SER A 23 O - C - N ANGL. DEV. = 9.9 DEGREES REMARK 500 GLN A 28 CB - CG - CD ANGL. DEV. = 24.1 DEGREES REMARK 500 ARG A 39 CD - NE - CZ ANGL. DEV. = -8.9 DEGREES REMARK 500 ARG A 39 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES REMARK 500 PHE A 46 CB - CG - CD2 ANGL. DEV. = -4.4 DEGREES REMARK 500 TYR A 76 CB - CG - CD2 ANGL. DEV. = -3.6 DEGREES REMARK 500 ASP A 83 CB - CG - OD2 ANGL. DEV. = -9.2 DEGREES REMARK 500 GLU A 86 OE1 - CD - OE2 ANGL. DEV. = 8.4 DEGREES REMARK 500 THR A 87 N - CA - CB ANGL. DEV. = -13.9 DEGREES REMARK 500 TYR A 97 CB - CG - CD2 ANGL. DEV. = -3.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLN A 60 -143.23 -103.47 REMARK 500 REMARK 500 REMARK: NULL DBREF 4RAT A 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 SHEET 1 A 3 VAL A 43 VAL A 47 0 SHEET 2 A 3 MET A 79 GLU A 86 -1 N THR A 82 O PHE A 46 SHEET 3 A 3 TYR A 97 LYS A 104 -1 N LYS A 98 O ARG A 85 SHEET 1 B 4 LYS A 61 VAL A 63 0 SHEET 2 B 4 CYS A 72 GLN A 74 -1 O CYS A 72 N VAL A 63 SHEET 3 B 4 ILE A 106 GLU A 111 -1 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 2.14 SSBOND *** CYS A 40 CYS A 95 1555 1555 2.06 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.13 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.12 CISPEP 1 TYR A 92 PRO A 93 0 -0.72 CISPEP 2 ASN A 113 PRO A 114 0 2.58 CRYST1 29.520 38.180 53.210 90.00 106.15 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 0.033875 0.000000 0.009810 0.00000 SCALE2 0.000000 0.026192 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019566 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 73 TYR OH : rot 30:sc= 0.856 USER MOD Set 1.2: A 115 TYR OH : rot 173:sc= 0.979 USER MOD Set 2.1: A 67 ASN : amide:sc= 0.326 K(o=2.6,f=-2.3!) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.468 K(o=2.6,f=-1.9) USER MOD Set 2.3: A 71 ASN : amide:sc= 1.77 K(o=2.6,f=-6.8!) USER MOD Set 3.1: A 30 MET CE :methyl 137:sc= -0.35 (180deg=-0.524) USER MOD Set 3.2: A 97 TYR OH : rot -7:sc= 1.34 USER MOD Set 4.1: A 17 THR OG1 : rot -104:sc= 0.859 USER MOD Set 4.2: A 25 TYR OH : rot 174:sc= 1.09 USER MOD Set 4.3: A 29 MET CE :methyl -150:sc= -0.038 (180deg=-0.665) USER MOD Set 4.4: A 48 HIS : no HE2:sc= 1.36 K(o=4.6,f=-7.1!) USER MOD Set 4.5: A 82 THR OG1 : rot 109:sc= 1.32 USER MOD Set 5.1: A 24 ASN : amide:sc= 0.225 K(o=1.5,f=-6.1!) USER MOD Set 5.2: A 27 ASN : amide:sc= 1.28 K(o=1.5,f=-6.8!) USER MOD Set 6.1: A 13 MET CE :methyl -160:sc= -0.275 (180deg=-1.22) USER MOD Set 6.2: A 15 SER OG : rot -55:sc= 1.25 USER MOD Set 7.1: A 12 HIS : no HE2:sc= 0.652 K(o=3.8,f=-0.71!) USER MOD Set 7.2: A 41 LYS NZ :NH3+ -168:sc= 1.31 (180deg=0) USER MOD Set 7.3: A 44 ASN : amide:sc= 1.88 K(o=3.8,f=-8.9!) USER MOD Single : A 1 LYS N :NH3+ -115:sc= 0.0948 (180deg=-0.219) USER MOD Single : A 1 LYS NZ :NH3+ 165:sc= -0.339 (180deg=-1.01) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.068) USER MOD Single : A 16 SER OG : rot -68:sc= 0.85 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.02 K(o=-1,f=-0.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.0075) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 130:sc= 0.264 USER MOD Single : A 55 GLN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD Single : A 59 SER OG : rot -7:sc= 0.0307 USER MOD Single : A 60 GLN : amide:sc= -0.385 K(o=-0.39,f=-5.3!) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= -1.08 (180deg=-1.61!) USER MOD Single : A 62 ASN : amide:sc= 0.953 K(o=0.95,f=-0.011) USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= 0.0211 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.43) USER MOD Single : A 75 SER OG : rot 111:sc= 1.11 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 80 SER OG : rot -164:sc= 1.04 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 -131:sc= 1.48 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot -2:sc= 1.18 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 120:sc= 0.664 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.484 K(o=-0.48,f=-1.4) 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= -1.27 K(o=-1.3,f=-0.17) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0.639 K(o=0.64,f=-2.8!) USER MOD Single : A 123 SER OG : rot 180:sc= -1.41! USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.953 45.281 53.717 1.00 9.79 N ATOM 2 CA LYS A 1 26.733 44.022 52.950 1.00 9.25 C ATOM 3 C LYS A 1 25.922 44.365 51.672 1.00 12.83 C ATOM 4 O LYS A 1 25.346 45.472 51.621 1.00 5.93 O ATOM 5 CB LYS A 1 26.009 43.029 53.819 1.00 9.51 C ATOM 6 CG LYS A 1 24.547 43.449 53.972 1.00 14.00 C ATOM 7 CD LYS A 1 23.764 42.647 54.943 1.00 44.06 C ATOM 8 CE LYS A 1 22.347 43.296 55.148 1.00 33.90 C ATOM 9 NZ LYS A 1 21.905 43.869 53.819 1.00 62.20 N ATOM 0 H1 LYS A 1 27.823 45.468 53.737 1.00 9.79 H new ATOM 0 H2 LYS A 1 26.515 45.949 53.324 1.00 9.79 H new ATOM 0 H3 LYS A 1 26.652 45.179 54.548 1.00 9.79 H new ATOM 0 HA LYS A 1 27.576 43.622 52.686 1.00 9.25 H new ATOM 0 HB2 LYS A 1 26.061 42.144 53.426 1.00 9.51 H new ATOM 0 HB3 LYS A 1 26.433 42.978 54.690 1.00 9.51 H new ATOM 0 HG2 LYS A 1 24.518 44.380 54.244 1.00 14.00 H new ATOM 0 HG3 LYS A 1 24.116 43.394 53.105 1.00 14.00 H new ATOM 0 HD2 LYS A 1 23.669 41.737 54.621 1.00 44.06 H new ATOM 0 HD3 LYS A 1 24.234 42.601 55.790 1.00 44.06 H new ATOM 0 HE2 LYS A 1 21.711 42.633 55.461 1.00 33.90 H new ATOM 0 HE3 LYS A 1 22.386 43.992 55.822 1.00 33.90 H new ATOM 0 HZ1 LYS A 1 21.033 44.045 53.847 1.00 62.20 H new ATOM 0 HZ2 LYS A 1 22.354 44.620 53.655 1.00 62.20 H new ATOM 0 HZ3 LYS A 1 22.068 43.279 53.172 1.00 62.20 H new ATOM 10 N GLU A 2 25.849 43.372 50.804 1.00 5.58 N ATOM 11 CA GLU A 2 25.141 43.640 49.475 1.00 5.58 C ATOM 12 C GLU A 2 23.724 44.060 49.679 1.00 3.51 C ATOM 13 O GLU A 2 22.956 43.563 50.497 1.00 5.38 O ATOM 14 CB GLU A 2 25.231 42.342 48.657 1.00 7.43 C ATOM 15 CG GLU A 2 24.538 42.456 47.277 1.00 7.40 C ATOM 16 CD GLU A 2 24.553 41.043 46.612 1.00 7.69 C ATOM 17 OE1 GLU A 2 24.331 40.089 47.379 1.00 6.33 O ATOM 18 OE2 GLU A 2 24.805 41.005 45.335 1.00 3.64 O ATOM 0 H GLU A 2 26.165 42.580 50.915 1.00 5.58 H new ATOM 0 HA GLU A 2 25.567 44.374 49.005 1.00 5.58 H new ATOM 0 HB2 GLU A 2 26.164 42.109 48.528 1.00 7.43 H new ATOM 0 HB3 GLU A 2 24.825 41.618 49.160 1.00 7.43 H new ATOM 0 HG2 GLU A 2 23.627 42.773 47.380 1.00 7.40 H new ATOM 0 HG3 GLU A 2 25.000 43.099 46.717 1.00 7.40 H new ATOM 19 N THR A 3 23.326 45.129 48.912 1.00 5.22 N ATOM 20 CA THR A 3 21.939 45.625 49.015 1.00 2.80 C ATOM 21 C THR A 3 20.936 44.671 48.299 1.00 2.05 C ATOM 22 O THR A 3 21.423 43.869 47.532 1.00 3.11 O ATOM 23 CB THR A 3 21.718 47.038 48.452 1.00 4.20 C ATOM 24 OG1 THR A 3 21.985 46.923 47.021 1.00 5.27 O ATOM 25 CG2 THR A 3 22.706 48.069 49.015 1.00 10.99 C ATOM 0 H THR A 3 23.828 45.552 48.357 1.00 5.22 H new ATOM 0 HA THR A 3 21.777 45.656 49.971 1.00 2.80 H new ATOM 0 HB THR A 3 20.824 47.339 48.679 1.00 4.20 H new ATOM 0 HG1 THR A 3 21.878 47.671 46.655 1.00 5.27 H new ATOM 0 HG21 THR A 3 22.522 48.939 48.628 1.00 10.99 H new ATOM 0 HG22 THR A 3 22.609 48.118 49.979 1.00 10.99 H new ATOM 0 HG23 THR A 3 23.612 47.803 48.795 1.00 10.99 H new ATOM 26 N ALA A 4 19.710 44.823 48.759 1.00 4.64 N ATOM 27 CA ALA A 4 18.633 44.022 48.095 1.00 4.52 C ATOM 28 C ALA A 4 18.605 44.365 46.561 1.00 4.98 C ATOM 29 O ALA A 4 18.473 43.372 45.795 1.00 6.60 O ATOM 30 CB ALA A 4 17.319 44.174 48.759 1.00 4.23 C ATOM 0 H ALA A 4 19.467 45.337 49.404 1.00 4.64 H new ATOM 0 HA ALA A 4 18.838 43.079 48.187 1.00 4.52 H new ATOM 0 HB1 ALA A 4 16.657 43.638 48.294 1.00 4.23 H new ATOM 0 HB2 ALA A 4 17.385 43.877 49.680 1.00 4.23 H new ATOM 0 HB3 ALA A 4 17.052 45.106 48.739 1.00 4.23 H new ATOM 31 N ALA A 5 18.753 45.625 46.152 1.00 4.29 N ATOM 32 CA ALA A 5 18.725 45.931 44.721 1.00 4.72 C ATOM 33 C ALA A 5 19.847 45.281 44.006 1.00 3.71 C ATOM 34 O ALA A 5 19.789 44.785 42.881 1.00 3.76 O ATOM 35 CB ALA A 5 18.754 47.458 44.517 1.00 4.18 C ATOM 0 H ALA A 5 18.868 46.301 46.671 1.00 4.29 H new ATOM 0 HA ALA A 5 17.903 45.577 44.347 1.00 4.72 H new ATOM 0 HB1 ALA A 5 18.735 47.658 43.568 1.00 4.18 H new ATOM 0 HB2 ALA A 5 17.981 47.857 44.946 1.00 4.18 H new ATOM 0 HB3 ALA A 5 19.564 47.822 44.908 1.00 4.18 H new ATOM 36 N ALA A 6 21.057 45.281 44.619 1.00 3.55 N ATOM 37 CA ALA A 6 22.238 44.709 44.006 1.00 4.33 C ATOM 38 C ALA A 6 22.105 43.182 43.955 1.00 0.71 C ATOM 39 O ALA A 6 22.549 42.609 42.933 1.00 3.16 O ATOM 40 CB ALA A 6 23.492 45.167 44.773 1.00 6.78 C ATOM 0 H ALA A 6 21.195 45.616 45.399 1.00 3.55 H new ATOM 0 HA ALA A 6 22.328 45.021 43.092 1.00 4.33 H new ATOM 0 HB1 ALA A 6 24.282 44.783 44.361 1.00 6.78 H new ATOM 0 HB2 ALA A 6 23.552 46.135 44.747 1.00 6.78 H new ATOM 0 HB3 ALA A 6 23.433 44.872 45.695 1.00 6.78 H new ATOM 41 N LYS A 7 21.499 42.571 44.926 1.00 2.68 N ATOM 42 CA LYS A 7 21.352 41.082 44.926 1.00 4.28 C ATOM 43 C LYS A 7 20.423 40.700 43.750 1.00 4.46 C ATOM 44 O LYS A 7 20.630 39.745 43.035 1.00 4.14 O ATOM 45 CB LYS A 7 20.716 40.662 46.204 1.00 4.36 C ATOM 46 CG LYS A 7 20.686 39.134 46.408 1.00 11.80 C ATOM 47 CD LYS A 7 19.947 38.753 47.635 1.00 12.78 C ATOM 48 CE LYS A 7 19.903 37.225 47.788 1.00 19.16 C ATOM 49 NZ LYS A 7 19.002 36.882 48.964 1.00 27.04 N ATOM 0 H LYS A 7 21.155 42.967 45.608 1.00 2.68 H new ATOM 0 HA LYS A 7 22.215 40.649 44.835 1.00 4.28 H new ATOM 0 HB2 LYS A 7 21.194 41.070 46.943 1.00 4.36 H new ATOM 0 HB3 LYS A 7 19.808 41.002 46.231 1.00 4.36 H new ATOM 0 HG2 LYS A 7 20.272 38.714 45.638 1.00 11.80 H new ATOM 0 HG3 LYS A 7 21.594 38.797 46.461 1.00 11.80 H new ATOM 0 HD2 LYS A 7 20.374 39.149 48.411 1.00 12.78 H new ATOM 0 HD3 LYS A 7 19.044 39.105 47.597 1.00 12.78 H new ATOM 0 HE2 LYS A 7 19.567 36.815 46.976 1.00 19.16 H new ATOM 0 HE3 LYS A 7 20.796 36.875 47.934 1.00 19.16 H new ATOM 0 HZ1 LYS A 7 18.968 35.998 49.064 1.00 27.04 H new ATOM 0 HZ2 LYS A 7 19.327 37.252 49.705 1.00 27.04 H new ATOM 0 HZ3 LYS A 7 18.183 37.195 48.812 1.00 27.04 H new ATOM 50 N PHE A 8 19.390 41.578 43.648 1.00 5.41 N ATOM 51 CA PHE A 8 18.416 41.311 42.524 1.00 2.40 C ATOM 52 C PHE A 8 19.185 41.311 41.195 1.00 4.07 C ATOM 53 O PHE A 8 18.949 40.433 40.275 1.00 3.54 O ATOM 54 CB PHE A 8 17.295 42.342 42.524 1.00 4.91 C ATOM 55 CG PHE A 8 16.351 42.189 41.297 1.00 2.71 C ATOM 56 CD1 PHE A 8 16.662 42.800 40.121 1.00 2.56 C ATOM 57 CD2 PHE A 8 15.244 41.349 41.450 1.00 4.89 C ATOM 58 CE1 PHE A 8 15.777 42.685 38.997 1.00 4.25 C ATOM 59 CE2 PHE A 8 14.389 41.196 40.326 1.00 5.62 C ATOM 60 CZ PHE A 8 14.655 41.807 39.099 1.00 8.50 C ATOM 0 H PHE A 8 19.237 42.259 44.150 1.00 5.41 H new ATOM 0 HA PHE A 8 18.000 40.444 42.648 1.00 2.40 H new ATOM 0 HB2 PHE A 8 16.778 42.254 43.340 1.00 4.91 H new ATOM 0 HB3 PHE A 8 17.678 43.233 42.525 1.00 4.91 H new ATOM 0 HD1 PHE A 8 17.448 43.292 40.046 1.00 2.56 H new ATOM 0 HD2 PHE A 8 15.075 40.910 42.252 1.00 4.89 H new ATOM 0 HE1 PHE A 8 15.931 43.171 38.219 1.00 4.25 H new ATOM 0 HE2 PHE A 8 13.626 40.671 40.410 1.00 5.62 H new ATOM 0 HZ PHE A 8 14.112 41.645 38.362 1.00 8.50 H new ATOM 61 N GLU A 9 20.056 42.342 40.939 1.00 1.69 N ATOM 62 CA GLU A 9 20.751 42.418 39.661 1.00 2.91 C ATOM 63 C GLU A 9 21.681 41.196 39.406 1.00 4.03 C ATOM 64 O GLU A 9 21.755 40.624 38.333 1.00 6.13 O ATOM 65 CB GLU A 9 21.622 43.678 39.508 1.00 4.74 C ATOM 66 CG GLU A 9 20.751 44.976 39.457 1.00 6.36 C ATOM 67 CD GLU A 9 21.637 46.160 39.048 1.00 4.18 C ATOM 68 OE1 GLU A 9 22.508 46.007 38.179 1.00 6.18 O ATOM 69 OE2 GLU A 9 21.312 47.267 39.661 1.00 6.82 O ATOM 0 H GLU A 9 20.237 42.977 41.490 1.00 1.69 H new ATOM 0 HA GLU A 9 20.028 42.438 39.014 1.00 2.91 H new ATOM 0 HB2 GLU A 9 22.245 43.734 40.250 1.00 4.74 H new ATOM 0 HB3 GLU A 9 22.151 43.610 38.698 1.00 4.74 H new ATOM 0 HG2 GLU A 9 20.025 44.867 38.823 1.00 6.36 H new ATOM 0 HG3 GLU A 9 20.348 45.143 40.324 1.00 6.36 H new ATOM 70 N ARG A 10 22.314 40.853 40.581 1.00 1.18 N ATOM 71 CA ARG A 10 23.259 39.669 40.479 1.00 8.63 C ATOM 72 C ARG A 10 22.521 38.333 40.275 1.00 4.02 C ATOM 73 O ARG A 10 22.994 37.493 39.457 1.00 2.78 O ATOM 74 CB ARG A 10 24.085 39.593 41.808 1.00 4.84 C ATOM 75 CG ARG A 10 25.029 38.409 41.706 1.00 1.84 C ATOM 76 CD ARG A 10 25.973 38.524 42.933 1.00 5.32 C ATOM 77 NE ARG A 10 25.293 38.447 44.159 1.00 2.40 N ATOM 78 CZ ARG A 10 24.850 37.493 44.875 1.00 1.17 C ATOM 79 NH1 ARG A 10 24.895 36.195 44.313 1.00 6.05 N ATOM 80 NH2 ARG A 10 24.229 37.569 45.999 1.00 3.41 N ATOM 0 H ARG A 10 22.231 41.232 41.349 1.00 1.18 H new ATOM 0 HA ARG A 10 23.827 39.804 39.704 1.00 8.63 H new ATOM 0 HB2 ARG A 10 24.584 40.414 41.945 1.00 4.84 H new ATOM 0 HB3 ARG A 10 23.493 39.490 42.570 1.00 4.84 H new ATOM 0 HG2 ARG A 10 24.541 37.571 41.718 1.00 1.84 H new ATOM 0 HG3 ARG A 10 25.531 38.433 40.876 1.00 1.84 H new ATOM 0 HD2 ARG A 10 26.636 37.817 42.892 1.00 5.32 H new ATOM 0 HD3 ARG A 10 26.453 39.366 42.888 1.00 5.32 H new ATOM 0 HE ARG A 10 25.142 39.220 44.504 1.00 2.40 H new ATOM 0 HH11 ARG A 10 25.212 36.080 43.522 1.00 6.05 H new ATOM 0 HH12 ARG A 10 24.606 35.521 44.763 1.00 6.05 H new ATOM 0 HH21 ARG A 10 24.070 38.337 46.351 1.00 3.41 H new ATOM 0 HH22 ARG A 10 23.973 36.852 46.398 1.00 3.41 H new ATOM 81 N GLN A 11 21.384 38.180 40.939 1.00 3.88 N ATOM 82 CA GLN A 11 20.646 36.958 40.735 1.00 4.56 C ATOM 83 C GLN A 11 19.836 36.844 39.457 1.00 6.69 C ATOM 84 O GLN A 11 19.674 35.736 38.895 1.00 5.46 O ATOM 85 CB GLN A 11 19.612 36.691 41.859 1.00 3.50 C ATOM 86 CG GLN A 11 20.349 36.576 43.188 1.00 4.72 C ATOM 87 CD GLN A 11 19.448 35.966 44.261 1.00 17.38 C ATOM 88 OE1 GLN A 11 18.282 36.271 44.415 1.00 18.56 O ATOM 89 NE2 GLN A 11 19.994 35.011 45.028 1.00 22.21 N ATOM 0 H GLN A 11 21.039 38.746 41.487 1.00 3.88 H new ATOM 0 HA GLN A 11 21.377 36.321 40.709 1.00 4.56 H new ATOM 0 HB2 GLN A 11 18.963 37.411 41.896 1.00 3.50 H new ATOM 0 HB3 GLN A 11 19.120 35.875 41.676 1.00 3.50 H new ATOM 0 HG2 GLN A 11 21.141 36.028 43.076 1.00 4.72 H new ATOM 0 HG3 GLN A 11 20.649 37.453 43.473 1.00 4.72 H new ATOM 0 HE21 GLN A 11 20.819 34.793 44.921 1.00 22.21 H new ATOM 0 HE22 GLN A 11 19.519 34.616 45.627 1.00 22.21 H new ATOM 90 N HIS A 12 19.290 37.989 38.997 1.00 5.11 N ATOM 91 CA HIS A 12 18.272 37.875 37.924 1.00 4.14 C ATOM 92 C HIS A 12 18.495 38.600 36.646 1.00 10.03 C ATOM 93 O HIS A 12 17.639 38.409 35.726 1.00 5.57 O ATOM 94 CB HIS A 12 16.973 38.409 38.537 1.00 2.73 C ATOM 95 CG HIS A 12 16.529 37.607 39.764 1.00 2.61 C ATOM 96 ND1 HIS A 12 16.234 36.233 39.559 1.00 3.70 N ATOM 97 CD2 HIS A 12 16.454 37.875 41.041 1.00 3.67 C ATOM 98 CE1 HIS A 12 15.908 35.813 40.786 1.00 5.20 C ATOM 99 NE2 HIS A 12 16.026 36.767 41.706 1.00 5.17 N ATOM 0 H HIS A 12 19.476 38.784 39.267 1.00 5.11 H new ATOM 0 HA HIS A 12 18.284 36.943 37.655 1.00 4.14 H new ATOM 0 HB2 HIS A 12 17.096 39.338 38.789 1.00 2.73 H new ATOM 0 HB3 HIS A 12 16.271 38.387 37.868 1.00 2.73 H new ATOM 0 HD1 HIS A 12 16.259 35.783 38.827 1.00 3.70 H new ATOM 0 HD2 HIS A 12 16.660 38.693 41.433 1.00 3.67 H new ATOM 0 HE1 HIS A 12 15.629 34.947 40.976 1.00 5.20 H new ATOM 100 N MET A 13 19.439 39.478 36.544 1.00 3.96 N ATOM 101 CA MET A 13 19.662 40.242 35.266 1.00 3.68 C ATOM 102 C MET A 13 20.681 39.669 34.397 1.00 3.79 C ATOM 103 O MET A 13 21.773 39.325 34.908 1.00 4.30 O ATOM 104 CB MET A 13 19.986 41.731 35.573 1.00 2.63 C ATOM 105 CG MET A 13 18.953 42.571 36.186 1.00 0.66 C ATOM 106 SD MET A 13 17.448 42.762 35.164 1.00 4.17 S ATOM 107 CE MET A 13 18.113 43.296 33.682 1.00 4.74 C ATOM 0 H MET A 13 19.984 39.677 37.179 1.00 3.96 H new ATOM 0 HA MET A 13 18.829 40.179 34.773 1.00 3.68 H new ATOM 0 HB2 MET A 13 20.761 41.748 36.156 1.00 2.63 H new ATOM 0 HB3 MET A 13 20.249 42.151 34.739 1.00 2.63 H new ATOM 0 HG2 MET A 13 18.705 42.189 37.043 1.00 0.66 H new ATOM 0 HG3 MET A 13 19.326 43.449 36.364 1.00 0.66 H new ATOM 0 HE1 MET A 13 17.424 43.732 33.156 1.00 4.74 H new ATOM 0 HE2 MET A 13 18.831 43.924 33.857 1.00 4.74 H new ATOM 0 HE3 MET A 13 18.462 42.536 33.191 1.00 4.74 H new ATOM 108 N ASP A 14 20.402 39.554 33.119 1.00 4.57 N ATOM 109 CA ASP A 14 21.406 39.173 32.097 1.00 3.39 C ATOM 110 C ASP A 14 21.230 40.089 30.871 1.00 3.20 C ATOM 111 O ASP A 14 20.803 39.516 29.797 1.00 6.84 O ATOM 112 CB ASP A 14 21.406 37.722 31.688 1.00 10.39 C ATOM 113 CG ASP A 14 22.706 37.493 30.871 1.00 8.26 C ATOM 114 OD1 ASP A 14 23.518 38.409 30.717 1.00 7.22 O ATOM 115 OD2 ASP A 14 22.751 36.347 30.308 1.00 6.45 O ATOM 0 H ASP A 14 19.617 39.693 32.796 1.00 4.57 H new ATOM 0 HA ASP A 14 22.274 39.295 32.512 1.00 3.39 H new ATOM 0 HB2 ASP A 14 21.382 37.144 32.467 1.00 10.39 H new ATOM 0 HB3 ASP A 14 20.623 37.514 31.155 1.00 10.39 H new ATOM 116 N SER A 15 21.496 41.349 30.973 1.00 3.35 N ATOM 117 CA SER A 15 21.364 42.303 29.797 1.00 2.80 C ATOM 118 C SER A 15 22.368 41.998 28.775 1.00 8.39 C ATOM 119 O SER A 15 22.369 42.609 27.651 1.00 6.67 O ATOM 120 CB SER A 15 21.540 43.716 30.411 1.00 4.59 C ATOM 121 OG SER A 15 20.610 43.983 31.484 1.00 8.68 O ATOM 0 H SER A 15 21.761 41.723 31.701 1.00 3.35 H new ATOM 0 HA SER A 15 20.510 42.230 29.342 1.00 2.80 H new ATOM 0 HB2 SER A 15 22.446 43.808 30.744 1.00 4.59 H new ATOM 0 HB3 SER A 15 21.424 44.382 29.716 1.00 4.59 H new ATOM 0 HG SER A 15 19.825 43.865 31.210 1.00 8.68 H new ATOM 122 N SER A 16 23.357 41.120 29.031 1.00 3.50 N ATOM 123 CA SER A 16 24.450 40.853 28.111 1.00 3.60 C ATOM 124 C SER A 16 24.096 39.860 26.986 1.00 4.06 C ATOM 125 O SER A 16 24.865 39.784 25.964 1.00 6.17 O ATOM 126 CB SER A 16 25.719 40.318 28.826 1.00 5.90 C ATOM 127 OG SER A 16 25.600 38.867 28.928 1.00 16.02 O ATOM 0 H SER A 16 23.401 40.663 29.758 1.00 3.50 H new ATOM 0 HA SER A 16 24.627 41.722 27.718 1.00 3.60 H new ATOM 0 HB2 SER A 16 26.516 40.559 28.328 1.00 5.90 H new ATOM 0 HB3 SER A 16 25.804 40.714 29.707 1.00 5.90 H new ATOM 0 HG SER A 16 24.981 38.673 29.462 1.00 16.02 H new ATOM 128 N THR A 17 23.004 39.173 27.088 1.00 5.47 N ATOM 129 CA THR A 17 22.518 38.218 26.117 1.00 3.12 C ATOM 130 C THR A 17 21.027 38.447 25.862 1.00 4.61 C ATOM 131 O THR A 17 20.215 38.944 26.731 1.00 7.31 O ATOM 132 CB THR A 17 22.798 36.729 26.475 1.00 3.82 C ATOM 133 OG1 THR A 17 22.015 36.538 27.651 1.00 6.49 O ATOM 134 CG2 THR A 17 24.289 36.462 26.731 1.00 7.39 C ATOM 0 H THR A 17 22.482 39.247 27.767 1.00 5.47 H new ATOM 0 HA THR A 17 23.024 38.380 25.306 1.00 3.12 H new ATOM 0 HB THR A 17 22.570 36.118 25.757 1.00 3.82 H new ATOM 0 HG1 THR A 17 22.517 36.533 28.324 1.00 6.49 H new ATOM 0 HG21 THR A 17 24.417 35.526 26.950 1.00 7.39 H new ATOM 0 HG22 THR A 17 24.798 36.680 25.935 1.00 7.39 H new ATOM 0 HG23 THR A 17 24.594 37.011 27.470 1.00 7.39 H new ATOM 135 N SER A 18 20.600 37.989 24.686 1.00 7.97 N ATOM 136 CA SER A 18 19.139 38.218 24.328 1.00 9.04 C ATOM 137 C SER A 18 18.342 36.996 24.737 1.00 3.16 C ATOM 138 O SER A 18 17.102 37.149 24.840 1.00 5.80 O ATOM 139 CB SER A 18 18.889 38.447 22.846 1.00 11.47 C ATOM 140 OG SER A 18 19.480 37.378 22.131 1.00 25.43 O ATOM 0 H SER A 18 21.075 37.572 24.103 1.00 7.97 H new ATOM 0 HA SER A 18 18.870 39.023 24.797 1.00 9.04 H new ATOM 0 HB2 SER A 18 17.937 38.490 22.666 1.00 11.47 H new ATOM 0 HB3 SER A 18 19.269 39.294 22.565 1.00 11.47 H new ATOM 0 HG SER A 18 19.351 37.486 21.308 1.00 25.43 H new ATOM 141 N ALA A 19 18.976 35.851 24.993 1.00 4.05 N ATOM 142 CA ALA A 19 18.400 34.591 25.351 1.00 7.13 C ATOM 143 C ALA A 19 19.478 33.560 25.708 1.00 7.04 C ATOM 144 O ALA A 19 20.673 33.827 25.555 1.00 8.81 O ATOM 145 CB ALA A 19 17.545 33.942 24.226 1.00 8.49 C ATOM 0 H ALA A 19 19.834 35.805 24.953 1.00 4.05 H new ATOM 0 HA ALA A 19 17.832 34.805 26.108 1.00 7.13 H new ATOM 0 HB1 ALA A 19 17.188 33.096 24.538 1.00 8.49 H new ATOM 0 HB2 ALA A 19 16.813 34.534 23.993 1.00 8.49 H new ATOM 0 HB3 ALA A 19 18.099 33.791 23.445 1.00 8.49 H new ATOM 146 N ALA A 20 19.049 32.415 26.168 1.00 6.48 N ATOM 147 CA ALA A 20 20.023 31.346 26.577 1.00 9.21 C ATOM 148 C ALA A 20 20.496 30.697 25.248 1.00 5.30 C ATOM 149 O ALA A 20 19.567 30.277 24.482 1.00 9.16 O ATOM 150 CB ALA A 20 19.329 30.315 27.446 1.00 3.96 C ATOM 0 H ALA A 20 18.220 32.207 26.263 1.00 6.48 H new ATOM 0 HA ALA A 20 20.764 31.704 27.090 1.00 9.21 H new ATOM 0 HB1 ALA A 20 19.964 29.629 27.705 1.00 3.96 H new ATOM 0 HB2 ALA A 20 18.977 30.746 28.241 1.00 3.96 H new ATOM 0 HB3 ALA A 20 18.601 29.910 26.949 1.00 3.96 H new ATOM 151 N SER A 21 21.795 30.544 25.044 1.00 5.76 N ATOM 152 CA SER A 21 22.224 30.009 23.766 1.00 8.17 C ATOM 153 C SER A 21 22.505 28.520 23.715 1.00 4.74 C ATOM 154 O SER A 21 22.949 28.062 22.591 1.00 5.93 O ATOM 155 CB SER A 21 23.420 30.735 23.204 1.00 12.23 C ATOM 156 OG SER A 21 24.571 30.544 24.022 1.00 10.15 O ATOM 0 H SER A 21 22.419 30.734 25.605 1.00 5.76 H new ATOM 0 HA SER A 21 21.437 30.161 23.219 1.00 8.17 H new ATOM 0 HB2 SER A 21 23.602 30.417 22.306 1.00 12.23 H new ATOM 0 HB3 SER A 21 23.223 31.682 23.135 1.00 12.23 H new ATOM 0 HG SER A 21 25.223 30.955 23.689 1.00 10.15 H new ATOM 157 N SER A 22 22.386 27.910 24.840 1.00 6.07 N ATOM 158 CA SER A 22 22.711 26.421 24.840 1.00 6.91 C ATOM 159 C SER A 22 22.105 25.848 26.117 1.00 4.32 C ATOM 160 O SER A 22 21.809 26.611 27.037 1.00 5.50 O ATOM 161 CB SER A 22 24.202 26.191 24.788 1.00 7.08 C ATOM 162 OG SER A 22 24.850 26.535 26.015 1.00 10.35 O ATOM 0 H SER A 22 22.143 28.256 25.589 1.00 6.07 H new ATOM 0 HA SER A 22 22.343 25.983 24.057 1.00 6.91 H new ATOM 0 HB2 SER A 22 24.376 25.259 24.584 1.00 7.08 H new ATOM 0 HB3 SER A 22 24.583 26.715 24.066 1.00 7.08 H new ATOM 0 HG SER A 22 25.675 26.392 25.946 1.00 10.35 H new ATOM 163 N SER A 23 22.031 24.512 26.168 1.00 5.63 N ATOM 164 CA SER A 23 21.513 23.824 27.344 1.00 5.60 C ATOM 165 C SER A 23 22.368 24.130 28.673 1.00 4.97 C ATOM 166 O SER A 23 21.718 24.092 29.695 1.00 8.03 O ATOM 167 CB SER A 23 21.484 22.335 27.139 1.00 11.39 C ATOM 168 OG SER A 23 22.768 21.839 26.986 1.00 23.35 O ATOM 0 H SER A 23 22.277 23.991 25.529 1.00 5.63 H new ATOM 0 HA SER A 23 20.613 24.165 27.466 1.00 5.60 H new ATOM 0 HB2 SER A 23 21.055 21.907 27.897 1.00 11.39 H new ATOM 0 HB3 SER A 23 20.954 22.122 26.355 1.00 11.39 H new ATOM 0 HG SER A 23 22.736 21.007 26.874 1.00 23.35 H new ATOM 169 N ASN A 24 23.593 24.512 28.417 1.00 4.62 N ATOM 170 CA ASN A 24 24.463 24.817 29.593 1.00 7.26 C ATOM 171 C ASN A 24 24.360 26.230 30.155 1.00 8.17 C ATOM 172 O ASN A 24 25.126 26.573 31.075 1.00 6.44 O ATOM 173 CB ASN A 24 25.895 24.397 29.337 1.00 8.27 C ATOM 174 CG ASN A 24 25.999 22.832 29.491 1.00 10.40 C ATOM 175 OD1 ASN A 24 25.393 22.297 30.462 1.00 13.39 O ATOM 176 ND2 ASN A 24 26.752 22.259 28.622 1.00 21.56 N ATOM 0 H ASN A 24 23.947 24.605 27.639 1.00 4.62 H new ATOM 0 HA ASN A 24 24.102 24.273 30.310 1.00 7.26 H new ATOM 0 HB2 ASN A 24 26.170 24.666 28.447 1.00 8.27 H new ATOM 0 HB3 ASN A 24 26.491 24.837 29.963 1.00 8.27 H new ATOM 0 HD21 ASN A 24 26.890 21.411 28.665 1.00 21.56 H new ATOM 0 HD22 ASN A 24 27.118 22.723 27.997 1.00 21.56 H new ATOM 177 N TYR A 25 23.548 27.108 29.593 1.00 3.23 N ATOM 178 CA TYR A 25 23.430 28.482 30.104 1.00 1.03 C ATOM 179 C TYR A 25 23.178 28.482 31.586 1.00 4.30 C ATOM 180 O TYR A 25 23.945 29.208 32.302 1.00 4.15 O ATOM 181 CB TYR A 25 22.264 29.170 29.337 1.00 1.27 C ATOM 182 CG TYR A 25 21.983 30.582 29.899 1.00 4.11 C ATOM 183 CD1 TYR A 25 21.127 30.773 30.922 1.00 6.41 C ATOM 184 CD2 TYR A 25 22.663 31.689 29.286 1.00 4.32 C ATOM 185 CE1 TYR A 25 20.875 32.071 31.382 1.00 3.06 C ATOM 186 CE2 TYR A 25 22.397 32.988 29.797 1.00 3.81 C ATOM 187 CZ TYR A 25 21.510 33.140 30.819 1.00 3.29 C ATOM 188 OH TYR A 25 21.230 34.362 31.382 1.00 8.49 O ATOM 0 H TYR A 25 23.051 26.937 28.912 1.00 3.23 H new ATOM 0 HA TYR A 25 24.257 28.968 29.960 1.00 1.03 H new ATOM 0 HB2 TYR A 25 22.485 29.232 28.395 1.00 1.27 H new ATOM 0 HB3 TYR A 25 21.463 28.627 29.405 1.00 1.27 H new ATOM 0 HD1 TYR A 25 20.706 30.046 31.321 1.00 6.41 H new ATOM 0 HD2 TYR A 25 23.255 31.560 28.581 1.00 4.32 H new ATOM 0 HE1 TYR A 25 20.271 32.206 32.076 1.00 3.06 H new ATOM 0 HE2 TYR A 25 22.826 33.730 29.436 1.00 3.81 H new ATOM 0 HH TYR A 25 21.715 34.951 31.030 1.00 8.49 H new ATOM 189 N CYS A 26 22.188 27.833 32.148 1.00 2.49 N ATOM 190 CA CYS A 26 21.877 27.795 33.528 1.00 3.63 C ATOM 191 C CYS A 26 23.102 27.299 34.397 1.00 4.39 C ATOM 192 O CYS A 26 23.455 27.910 35.419 1.00 3.70 O ATOM 193 CB CYS A 26 20.593 26.955 33.886 1.00 2.91 C ATOM 194 SG CYS A 26 19.162 27.910 33.222 1.00 5.70 S ATOM 0 H CYS A 26 21.638 27.365 31.681 1.00 2.49 H new ATOM 0 HA CYS A 26 21.675 28.717 33.751 1.00 3.63 H new ATOM 0 HB2 CYS A 26 20.635 26.071 33.490 1.00 2.91 H new ATOM 0 HB3 CYS A 26 20.514 26.833 34.845 1.00 2.91 H new ATOM 195 N ASN A 27 23.619 26.153 33.937 1.00 4.66 N ATOM 196 CA ASN A 27 24.784 25.619 34.704 1.00 9.53 C ATOM 197 C ASN A 27 25.832 26.764 34.857 1.00 8.53 C ATOM 198 O ASN A 27 26.421 26.955 35.982 1.00 8.11 O ATOM 199 CB ASN A 27 25.331 24.397 34.039 1.00 8.18 C ATOM 200 CG ASN A 27 24.371 23.213 34.193 1.00 3.66 C ATOM 201 OD1 ASN A 27 23.603 23.099 35.113 1.00 6.58 O ATOM 202 ND2 ASN A 27 24.490 22.297 33.170 1.00 8.44 N ATOM 0 H ASN A 27 23.353 25.700 33.256 1.00 4.66 H new ATOM 0 HA ASN A 27 24.518 25.336 35.593 1.00 9.53 H new ATOM 0 HB2 ASN A 27 25.481 24.576 33.098 1.00 8.18 H new ATOM 0 HB3 ASN A 27 26.192 24.172 34.425 1.00 8.18 H new ATOM 0 HD21 ASN A 27 23.997 21.592 33.164 1.00 8.44 H new ATOM 0 HD22 ASN A 27 25.057 22.430 32.537 1.00 8.44 H new ATOM 203 N GLN A 28 26.157 27.375 33.733 1.00 3.74 N ATOM 204 CA GLN A 28 27.146 28.444 33.682 1.00 2.74 C ATOM 205 C GLN A 28 26.836 29.628 34.550 1.00 12.37 C ATOM 206 O GLN A 28 27.632 30.086 35.470 1.00 6.71 O ATOM 207 CB GLN A 28 27.443 28.826 32.251 1.00 6.53 C ATOM 208 CG GLN A 28 28.167 27.719 31.586 1.00 16.06 C ATOM 209 CD GLN A 28 28.227 27.184 30.257 1.00 62.24 C ATOM 210 OE1 GLN A 28 27.947 27.719 29.184 1.00 23.37 O ATOM 211 NE2 GLN A 28 28.684 25.886 30.206 1.00 49.41 N ATOM 0 H GLN A 28 25.810 27.183 32.970 1.00 3.74 H new ATOM 0 HA GLN A 28 27.956 28.081 34.074 1.00 2.74 H new ATOM 0 HB2 GLN A 28 26.617 29.016 31.778 1.00 6.53 H new ATOM 0 HB3 GLN A 28 27.977 29.636 32.226 1.00 6.53 H new ATOM 0 HG2 GLN A 28 29.096 27.917 31.783 1.00 16.06 H new ATOM 0 HG3 GLN A 28 27.923 26.947 32.120 1.00 16.06 H new ATOM 0 HE21 GLN A 28 28.891 25.474 30.932 1.00 49.41 H new ATOM 0 HE22 GLN A 28 28.762 25.487 29.448 1.00 49.41 H new ATOM 212 N MET A 29 25.685 30.200 34.346 1.00 4.09 N ATOM 213 CA MET A 29 25.227 31.384 35.113 1.00 2.98 C ATOM 214 C MET A 29 24.930 31.155 36.544 1.00 7.30 C ATOM 215 O MET A 29 25.195 32.109 37.464 1.00 4.67 O ATOM 216 CB MET A 29 23.899 31.918 34.397 1.00 3.07 C ATOM 217 CG MET A 29 24.239 32.415 33.017 1.00 3.26 C ATOM 218 SD MET A 29 25.302 33.942 33.017 1.00 9.80 S ATOM 219 CE MET A 29 24.091 35.087 33.630 1.00 18.10 C ATOM 0 H MET A 29 25.121 29.929 33.757 1.00 4.09 H new ATOM 0 HA MET A 29 25.963 32.016 35.110 1.00 2.98 H new ATOM 0 HB2 MET A 29 23.241 31.207 34.343 1.00 3.07 H new ATOM 0 HB3 MET A 29 23.503 32.632 34.920 1.00 3.07 H new ATOM 0 HG2 MET A 29 24.697 31.711 32.532 1.00 3.26 H new ATOM 0 HG3 MET A 29 23.417 32.602 32.537 1.00 3.26 H new ATOM 0 HE1 MET A 29 24.272 35.971 33.275 1.00 18.10 H new ATOM 0 HE2 MET A 29 23.206 34.802 33.352 1.00 18.10 H new ATOM 0 HE3 MET A 29 24.132 35.114 34.599 1.00 18.10 H new ATOM 220 N MET A 30 24.399 30.009 36.953 1.00 6.35 N ATOM 221 CA MET A 30 24.073 29.780 38.384 1.00 2.11 C ATOM 222 C MET A 30 25.430 29.857 39.099 1.00 5.39 C ATOM 223 O MET A 30 25.503 30.391 40.275 1.00 6.55 O ATOM 224 CB MET A 30 23.290 28.482 38.537 1.00 2.72 C ATOM 225 CG MET A 30 21.874 28.559 37.924 1.00 4.99 C ATOM 226 SD MET A 30 20.810 29.780 38.742 1.00 4.71 S ATOM 227 CE MET A 30 20.514 28.979 40.275 1.00 5.06 C ATOM 0 H MET A 30 24.216 29.349 36.434 1.00 6.35 H new ATOM 0 HA MET A 30 23.479 30.433 38.785 1.00 2.11 H new ATOM 0 HB2 MET A 30 23.782 27.761 38.114 1.00 2.72 H new ATOM 0 HB3 MET A 30 23.218 28.262 39.479 1.00 2.72 H new ATOM 0 HG2 MET A 30 21.947 28.780 36.982 1.00 4.99 H new ATOM 0 HG3 MET A 30 21.456 27.685 37.978 1.00 4.99 H new ATOM 0 HE1 MET A 30 20.585 29.624 40.996 1.00 5.06 H new ATOM 0 HE2 MET A 30 19.624 28.594 40.273 1.00 5.06 H new ATOM 0 HE3 MET A 30 21.169 28.276 40.405 1.00 5.06 H new ATOM 228 N LYS A 31 26.419 29.208 38.435 1.00 3.40 N ATOM 229 CA LYS A 31 27.762 29.208 39.099 1.00 5.19 C ATOM 230 C LYS A 31 28.397 30.582 39.048 1.00 1.68 C ATOM 231 O LYS A 31 28.942 31.040 40.121 1.00 5.28 O ATOM 232 CB LYS A 31 28.678 28.139 38.384 1.00 5.18 C ATOM 233 CG LYS A 31 30.079 28.139 39.150 1.00 10.91 C ATOM 234 CD LYS A 31 31.025 27.222 38.333 1.00 36.94 C ATOM 235 CE LYS A 31 32.397 27.146 38.997 1.00 30.30 C ATOM 236 NZ LYS A 31 33.298 26.382 38.026 1.00 54.36 N ATOM 0 H LYS A 31 26.354 28.801 37.680 1.00 3.40 H new ATOM 0 HA LYS A 31 27.658 28.976 40.035 1.00 5.19 H new ATOM 0 HB2 LYS A 31 28.269 27.260 38.416 1.00 5.18 H new ATOM 0 HB3 LYS A 31 28.799 28.362 37.448 1.00 5.18 H new ATOM 0 HG2 LYS A 31 30.438 29.038 39.213 1.00 10.91 H new ATOM 0 HG3 LYS A 31 29.977 27.810 40.057 1.00 10.91 H new ATOM 0 HD2 LYS A 31 30.643 26.333 38.264 1.00 36.94 H new ATOM 0 HD3 LYS A 31 31.115 27.563 37.429 1.00 36.94 H new ATOM 0 HE2 LYS A 31 32.748 28.034 39.170 1.00 30.30 H new ATOM 0 HE3 LYS A 31 32.344 26.690 39.852 1.00 30.30 H new ATOM 0 HZ1 LYS A 31 34.115 26.312 38.372 1.00 54.36 H new ATOM 0 HZ2 LYS A 31 32.964 25.569 37.888 1.00 54.36 H new ATOM 0 HZ3 LYS A 31 33.340 26.820 37.253 1.00 54.36 H new ATOM 237 N SER A 32 28.427 31.269 37.924 1.00 4.44 N ATOM 238 CA SER A 32 29.195 32.529 37.822 1.00 3.77 C ATOM 239 C SER A 32 28.486 33.598 38.639 1.00 2.39 C ATOM 240 O SER A 32 29.282 34.515 39.048 1.00 5.19 O ATOM 241 CB SER A 32 29.403 32.949 36.390 1.00 8.98 C ATOM 242 OG SER A 32 28.178 33.331 35.828 1.00 13.26 O ATOM 0 H SER A 32 28.017 31.038 37.204 1.00 4.44 H new ATOM 0 HA SER A 32 30.085 32.393 38.183 1.00 3.77 H new ATOM 0 HB2 SER A 32 30.032 33.686 36.348 1.00 8.98 H new ATOM 0 HB3 SER A 32 29.788 32.218 35.882 1.00 8.98 H new ATOM 0 HG SER A 32 28.297 33.566 35.030 1.00 13.26 H new ATOM 243 N ARG A 33 27.216 33.522 38.946 1.00 3.76 N ATOM 244 CA ARG A 33 26.551 34.591 39.713 1.00 4.12 C ATOM 245 C ARG A 33 26.624 34.247 41.195 1.00 4.91 C ATOM 246 O ARG A 33 25.974 34.858 42.013 1.00 5.43 O ATOM 247 CB ARG A 33 25.120 34.820 39.150 1.00 3.19 C ATOM 248 CG ARG A 33 25.210 35.431 37.719 1.00 5.63 C ATOM 249 CD ARG A 33 25.667 36.844 37.770 1.00 4.17 C ATOM 250 NE ARG A 33 25.654 37.416 36.390 1.00 8.19 N ATOM 251 CZ ARG A 33 24.488 37.951 35.930 1.00 6.99 C ATOM 252 NH1 ARG A 33 23.425 38.180 36.748 1.00 6.00 N ATOM 253 NH2 ARG A 33 24.459 38.371 34.704 1.00 3.84 N ATOM 0 H ARG A 33 26.704 32.866 38.728 1.00 3.76 H new ATOM 0 HA ARG A 33 26.999 35.446 39.617 1.00 4.12 H new ATOM 0 HB2 ARG A 33 24.635 33.980 39.123 1.00 3.19 H new ATOM 0 HB3 ARG A 33 24.624 35.415 39.734 1.00 3.19 H new ATOM 0 HG2 ARG A 33 25.823 34.909 37.179 1.00 5.63 H new ATOM 0 HG3 ARG A 33 24.342 35.384 37.288 1.00 5.63 H new ATOM 0 HD2 ARG A 33 25.088 37.361 38.351 1.00 4.17 H new ATOM 0 HD3 ARG A 33 26.561 36.893 38.143 1.00 4.17 H new ATOM 0 HE ARG A 33 26.361 37.408 35.901 1.00 8.19 H new ATOM 0 HH11 ARG A 33 23.476 37.986 37.584 1.00 6.00 H new ATOM 0 HH12 ARG A 33 22.702 38.519 36.429 1.00 6.00 H new ATOM 0 HH21 ARG A 33 25.161 38.307 34.211 1.00 3.84 H new ATOM 0 HH22 ARG A 33 23.738 38.714 34.384 1.00 3.84 H new ATOM 254 N ASN A 34 27.303 33.140 41.501 1.00 3.63 N ATOM 255 CA ASN A 34 27.493 32.644 42.881 1.00 5.61 C ATOM 256 C ASN A 34 26.283 32.109 43.597 1.00 12.80 C ATOM 257 O ASN A 34 26.149 32.071 44.875 1.00 5.86 O ATOM 258 CB ASN A 34 28.260 33.675 43.801 1.00 4.65 C ATOM 259 CG ASN A 34 29.604 33.980 43.137 1.00 5.89 C ATOM 260 OD1 ASN A 34 29.899 35.278 43.137 1.00 16.25 O ATOM 261 ND2 ASN A 34 30.328 33.140 42.575 1.00 8.54 N ATOM 0 H ASN A 34 27.675 32.643 40.906 1.00 3.63 H new ATOM 0 HA ASN A 34 28.046 31.862 42.727 1.00 5.61 H new ATOM 0 HB2 ASN A 34 27.741 34.487 43.908 1.00 4.65 H new ATOM 0 HB3 ASN A 34 28.394 33.306 44.688 1.00 4.65 H new ATOM 0 HD21 ASN A 34 31.044 33.391 42.170 1.00 8.54 H new ATOM 0 HD22 ASN A 34 30.113 32.307 42.591 1.00 8.54 H new ATOM 262 N LEU A 35 25.339 31.575 42.779 1.00 3.60 N ATOM 263 CA LEU A 35 24.083 31.040 43.341 1.00 5.44 C ATOM 264 C LEU A 35 24.201 29.551 43.750 1.00 4.12 C ATOM 265 O LEU A 35 23.212 28.979 44.313 1.00 11.42 O ATOM 266 CB LEU A 35 23.007 31.231 42.268 1.00 4.77 C ATOM 267 CG LEU A 35 22.993 32.682 41.706 1.00 9.63 C ATOM 268 CD1 LEU A 35 21.872 32.835 40.786 1.00 5.85 C ATOM 269 CD2 LEU A 35 22.726 33.598 42.933 1.00 5.85 C ATOM 0 H LEU A 35 25.409 31.517 41.924 1.00 3.60 H new ATOM 0 HA LEU A 35 23.859 31.514 44.157 1.00 5.44 H new ATOM 0 HB2 LEU A 35 23.161 30.606 41.542 1.00 4.77 H new ATOM 0 HB3 LEU A 35 22.137 31.022 42.643 1.00 4.77 H new ATOM 0 HG LEU A 35 23.820 32.893 41.245 1.00 9.63 H new ATOM 0 HD11 LEU A 35 21.862 33.739 40.435 1.00 5.85 H new ATOM 0 HD12 LEU A 35 21.966 32.205 40.054 1.00 5.85 H new ATOM 0 HD13 LEU A 35 21.041 32.662 41.256 1.00 5.85 H new ATOM 0 HD21 LEU A 35 22.705 34.525 42.647 1.00 5.85 H new ATOM 0 HD22 LEU A 35 21.873 33.364 43.332 1.00 5.85 H new ATOM 0 HD23 LEU A 35 23.432 33.478 43.587 1.00 5.85 H new ATOM 270 N THR A 36 25.323 28.979 43.444 1.00 3.35 N ATOM 271 CA THR A 36 25.589 27.604 43.853 1.00 3.79 C ATOM 272 C THR A 36 26.724 27.451 44.926 1.00 6.65 C ATOM 273 O THR A 36 27.196 26.344 45.130 1.00 7.72 O ATOM 274 CB THR A 36 25.914 26.764 42.626 1.00 11.99 C ATOM 275 OG1 THR A 36 27.081 27.261 42.064 1.00 6.10 O ATOM 276 CG2 THR A 36 24.779 26.841 41.553 1.00 9.66 C ATOM 0 H THR A 36 25.957 29.354 43.000 1.00 3.35 H new ATOM 0 HA THR A 36 24.780 27.290 44.285 1.00 3.79 H new ATOM 0 HB THR A 36 26.009 25.839 42.901 1.00 11.99 H new ATOM 0 HG1 THR A 36 27.279 26.809 41.384 1.00 6.10 H new ATOM 0 HG21 THR A 36 25.019 26.296 40.788 1.00 9.66 H new ATOM 0 HG22 THR A 36 23.950 26.514 41.935 1.00 9.66 H new ATOM 0 HG23 THR A 36 24.663 27.761 41.270 1.00 9.66 H new ATOM 277 N LYS A 37 27.196 28.635 45.335 1.00 7.33 N ATOM 278 CA LYS A 37 28.332 28.635 46.306 1.00 9.75 C ATOM 279 C LYS A 37 28.110 27.833 47.584 1.00 6.03 C ATOM 280 O LYS A 37 29.054 26.993 47.890 1.00 8.88 O ATOM 281 CB LYS A 37 28.597 30.048 46.715 1.00 18.96 C ATOM 282 CG LYS A 37 29.779 30.735 46.204 1.00 25.30 C ATOM 283 CD LYS A 37 30.309 31.613 47.430 1.00 27.32 C ATOM 284 CE LYS A 37 31.342 30.773 48.146 1.00 40.00 C ATOM 285 NZ LYS A 37 32.197 31.689 48.964 1.00 33.49 N ATOM 0 H LYS A 37 26.905 29.406 45.090 1.00 7.33 H new ATOM 0 HA LYS A 37 29.069 28.211 45.839 1.00 9.75 H new ATOM 0 HB2 LYS A 37 27.823 30.574 46.461 1.00 18.96 H new ATOM 0 HB3 LYS A 37 28.647 30.066 47.684 1.00 18.96 H new ATOM 0 HG2 LYS A 37 30.452 30.103 45.908 1.00 25.30 H new ATOM 0 HG3 LYS A 37 29.559 31.293 45.442 1.00 25.30 H new ATOM 0 HD2 LYS A 37 30.698 32.445 47.116 1.00 27.32 H new ATOM 0 HD3 LYS A 37 29.581 31.847 48.027 1.00 27.32 H new ATOM 0 HE2 LYS A 37 30.910 30.115 48.713 1.00 40.00 H new ATOM 0 HE3 LYS A 37 31.884 30.284 47.507 1.00 40.00 H new ATOM 0 HZ1 LYS A 37 32.814 31.214 49.395 1.00 33.49 H new ATOM 0 HZ2 LYS A 37 32.597 32.278 48.430 1.00 33.49 H new ATOM 0 HZ3 LYS A 37 31.690 32.121 49.554 1.00 33.49 H new ATOM 286 N ASP A 38 27.046 28.100 48.299 1.00 4.44 N ATOM 287 CA ASP A 38 26.809 27.490 49.628 1.00 8.34 C ATOM 288 C ASP A 38 25.850 26.306 49.577 1.00 18.46 C ATOM 289 O ASP A 38 25.879 25.466 50.497 1.00 5.87 O ATOM 290 CB ASP A 38 26.439 28.559 50.599 1.00 7.69 C ATOM 291 CG ASP A 38 27.472 29.589 50.906 1.00 13.22 C ATOM 292 OD1 ASP A 38 28.683 29.322 50.804 1.00 10.50 O ATOM 293 OD2 ASP A 38 27.015 30.811 51.059 1.00 9.51 O ATOM 0 H ASP A 38 26.426 28.639 48.045 1.00 4.44 H new ATOM 0 HA ASP A 38 27.631 27.086 49.948 1.00 8.34 H new ATOM 0 HB2 ASP A 38 25.653 29.014 50.260 1.00 7.69 H new ATOM 0 HB3 ASP A 38 26.183 28.133 51.432 1.00 7.69 H new ATOM 294 N ARG A 39 25.024 26.344 48.555 1.00 7.04 N ATOM 295 CA ARG A 39 24.020 25.275 48.350 1.00 2.62 C ATOM 296 C ARG A 39 23.490 25.542 46.919 1.00 7.71 C ATOM 297 O ARG A 39 23.815 26.611 46.306 1.00 8.93 O ATOM 298 CB ARG A 39 22.883 25.313 49.321 1.00 6.80 C ATOM 299 CG ARG A 39 22.086 26.650 49.219 1.00 8.13 C ATOM 300 CD ARG A 39 21.067 26.802 50.292 1.00 20.00 C ATOM 301 NE ARG A 39 20.152 27.948 49.884 1.00 28.93 N ATOM 302 CZ ARG A 39 18.987 27.566 49.321 1.00 24.99 C ATOM 303 NH1 ARG A 39 18.706 26.268 49.168 1.00 37.84 N ATOM 304 NH2 ARG A 39 18.146 28.520 48.964 1.00 45.50 N ATOM 0 H ARG A 39 25.013 26.967 47.962 1.00 7.04 H new ATOM 0 HA ARG A 39 24.423 24.402 48.479 1.00 2.62 H new ATOM 0 HB2 ARG A 39 22.287 24.566 49.152 1.00 6.80 H new ATOM 0 HB3 ARG A 39 23.223 25.206 50.223 1.00 6.80 H new ATOM 0 HG2 ARG A 39 22.706 27.395 49.261 1.00 8.13 H new ATOM 0 HG3 ARG A 39 21.648 26.694 48.355 1.00 8.13 H new ATOM 0 HD2 ARG A 39 20.561 25.982 50.402 1.00 20.00 H new ATOM 0 HD3 ARG A 39 21.492 26.989 51.144 1.00 20.00 H new ATOM 0 HE ARG A 39 20.361 28.774 50.003 1.00 28.93 H new ATOM 0 HH11 ARG A 39 19.269 25.673 49.429 1.00 37.84 H new ATOM 0 HH12 ARG A 39 17.962 26.028 48.809 1.00 37.84 H new ATOM 0 HH21 ARG A 39 18.351 29.345 49.094 1.00 45.50 H new ATOM 0 HH22 ARG A 39 17.393 28.316 48.602 1.00 45.50 H new ATOM 305 N CYS A 40 22.797 24.512 46.459 1.00 2.12 N ATOM 306 CA CYS A 40 22.237 24.702 45.028 1.00 2.49 C ATOM 307 C CYS A 40 20.835 25.390 45.181 1.00 3.38 C ATOM 308 O CYS A 40 19.905 24.855 45.744 1.00 8.26 O ATOM 309 CB CYS A 40 22.002 23.404 44.313 1.00 3.08 C ATOM 310 SG CYS A 40 23.389 22.259 44.313 1.00 5.92 S ATOM 0 H CYS A 40 22.630 23.770 46.860 1.00 2.12 H new ATOM 0 HA CYS A 40 22.882 25.216 44.517 1.00 2.49 H new ATOM 0 HB2 CYS A 40 21.239 22.963 44.718 1.00 3.08 H new ATOM 0 HB3 CYS A 40 21.763 23.598 43.393 1.00 3.08 H new ATOM 311 N LYS A 41 20.865 26.650 44.670 1.00 8.80 N ATOM 312 CA LYS A 41 19.566 27.413 44.670 1.00 6.00 C ATOM 313 C LYS A 41 18.681 26.611 43.648 1.00 4.46 C ATOM 314 O LYS A 41 19.110 26.306 42.575 1.00 8.52 O ATOM 315 CB LYS A 41 19.802 28.826 44.159 1.00 10.43 C ATOM 316 CG LYS A 41 18.592 29.704 44.159 1.00 17.03 C ATOM 317 CD LYS A 41 18.873 31.155 43.699 1.00 8.87 C ATOM 318 CE LYS A 41 17.397 31.766 43.597 1.00 14.01 C ATOM 319 NZ LYS A 41 17.515 33.178 43.188 1.00 29.91 N ATOM 0 H LYS A 41 21.552 27.055 44.347 1.00 8.80 H new ATOM 0 HA LYS A 41 19.161 27.491 45.548 1.00 6.00 H new ATOM 0 HB2 LYS A 41 20.488 29.243 44.703 1.00 10.43 H new ATOM 0 HB3 LYS A 41 20.149 28.775 43.255 1.00 10.43 H new ATOM 0 HG2 LYS A 41 17.920 29.314 43.578 1.00 17.03 H new ATOM 0 HG3 LYS A 41 18.217 29.724 45.053 1.00 17.03 H new ATOM 0 HD2 LYS A 41 19.422 31.638 44.336 1.00 8.87 H new ATOM 0 HD3 LYS A 41 19.337 31.182 42.847 1.00 8.87 H new ATOM 0 HE2 LYS A 41 16.868 31.270 42.953 1.00 14.01 H new ATOM 0 HE3 LYS A 41 16.942 31.697 44.451 1.00 14.01 H new ATOM 0 HZ1 LYS A 41 16.730 33.584 43.292 1.00 29.91 H new ATOM 0 HZ2 LYS A 41 18.127 33.583 43.691 1.00 29.91 H new ATOM 0 HZ3 LYS A 41 17.759 33.220 42.333 1.00 29.91 H new ATOM 320 N PRO A 42 17.544 26.191 44.108 1.00 4.78 N ATOM 321 CA PRO A 42 16.644 25.275 43.444 1.00 3.42 C ATOM 322 C PRO A 42 16.099 25.771 42.064 1.00 5.25 C ATOM 323 O PRO A 42 16.041 25.008 41.144 1.00 8.44 O ATOM 324 CB PRO A 42 15.492 24.932 44.364 1.00 9.31 C ATOM 325 CG PRO A 42 15.551 26.077 45.386 1.00 26.94 C ATOM 326 CD PRO A 42 17.027 26.382 45.488 1.00 9.89 C ATOM 0 HA PRO A 42 17.174 24.488 43.243 1.00 3.42 H new ATOM 0 HB2 PRO A 42 14.645 24.909 43.892 1.00 9.31 H new ATOM 0 HB3 PRO A 42 15.607 24.065 44.783 1.00 9.31 H new ATOM 0 HG2 PRO A 42 15.046 26.849 45.087 1.00 26.94 H new ATOM 0 HG3 PRO A 42 15.181 25.811 46.242 1.00 26.94 H new ATOM 0 HD2 PRO A 42 17.180 27.288 45.800 1.00 9.89 H new ATOM 0 HD3 PRO A 42 17.468 25.788 46.115 1.00 9.89 H new ATOM 327 N VAL A 43 15.716 27.031 42.064 1.00 8.67 N ATOM 328 CA VAL A 43 15.141 27.604 40.786 1.00 7.68 C ATOM 329 C VAL A 43 15.643 29.055 40.684 1.00 4.84 C ATOM 330 O VAL A 43 15.922 29.666 41.757 1.00 6.80 O ATOM 331 CB VAL A 43 13.621 27.566 40.837 1.00 12.95 C ATOM 332 CG1 VAL A 43 12.986 26.191 40.990 1.00 9.33 C ATOM 333 CG2 VAL A 43 13.088 28.444 41.961 1.00 15.21 C ATOM 0 H VAL A 43 15.762 27.570 42.733 1.00 8.67 H new ATOM 0 HA VAL A 43 15.420 27.090 40.013 1.00 7.68 H new ATOM 0 HB VAL A 43 13.368 27.895 39.960 1.00 12.95 H new ATOM 0 HG11 VAL A 43 12.020 26.281 41.011 1.00 9.33 H new ATOM 0 HG12 VAL A 43 13.242 25.631 40.240 1.00 9.33 H new ATOM 0 HG13 VAL A 43 13.291 25.784 41.816 1.00 9.33 H new ATOM 0 HG21 VAL A 43 12.119 28.403 41.972 1.00 15.21 H new ATOM 0 HG22 VAL A 43 13.435 28.129 42.810 1.00 15.21 H new ATOM 0 HG23 VAL A 43 13.370 29.361 41.817 1.00 15.21 H new ATOM 334 N ASN A 44 15.762 29.513 39.457 1.00 2.49 N ATOM 335 CA ASN A 44 16.205 30.926 39.253 1.00 5.09 C ATOM 336 C ASN A 44 15.719 31.384 37.873 1.00 6.59 C ATOM 337 O ASN A 44 15.646 30.506 37.004 1.00 11.02 O ATOM 338 CB ASN A 44 17.696 31.079 39.406 1.00 6.20 C ATOM 339 CG ASN A 44 18.020 32.568 39.610 1.00 7.22 C ATOM 340 OD1 ASN A 44 17.576 33.140 40.633 1.00 9.67 O ATOM 341 ND2 ASN A 44 18.833 33.064 38.742 1.00 3.80 N ATOM 0 H ASN A 44 15.605 29.064 38.741 1.00 2.49 H new ATOM 0 HA ASN A 44 15.815 31.490 39.939 1.00 5.09 H new ATOM 0 HB2 ASN A 44 18.012 30.560 40.162 1.00 6.20 H new ATOM 0 HB3 ASN A 44 18.151 30.740 38.619 1.00 6.20 H new ATOM 0 HD21 ASN A 44 19.126 33.867 38.837 1.00 3.80 H new ATOM 0 HD22 ASN A 44 19.083 32.592 38.068 1.00 3.80 H new ATOM 342 N THR A 45 15.453 32.682 37.770 1.00 4.08 N ATOM 343 CA THR A 45 15.041 33.217 36.442 1.00 3.56 C ATOM 344 C THR A 45 16.045 34.324 36.135 1.00 3.28 C ATOM 345 O THR A 45 16.251 35.202 37.055 1.00 3.94 O ATOM 346 CB THR A 45 13.624 33.827 36.442 1.00 4.81 C ATOM 347 OG1 THR A 45 12.709 32.873 36.850 1.00 6.94 O ATOM 348 CG2 THR A 45 13.197 34.362 35.062 1.00 6.83 C ATOM 0 H THR A 45 15.497 33.255 38.410 1.00 4.08 H new ATOM 0 HA THR A 45 15.026 32.498 35.791 1.00 3.56 H new ATOM 0 HB THR A 45 13.644 34.579 37.054 1.00 4.81 H new ATOM 0 HG1 THR A 45 11.938 33.206 36.851 1.00 6.94 H new ATOM 0 HG21 THR A 45 12.302 34.732 35.121 1.00 6.83 H new ATOM 0 HG22 THR A 45 13.815 35.054 34.778 1.00 6.83 H new ATOM 0 HG23 THR A 45 13.205 33.637 34.417 1.00 6.83 H new ATOM 349 N PHE A 46 16.430 34.324 34.908 1.00 3.79 N ATOM 350 CA PHE A 46 17.301 35.393 34.346 1.00 0.50 C ATOM 351 C PHE A 46 16.475 36.195 33.324 1.00 7.16 C ATOM 352 O PHE A 46 15.753 35.584 32.557 1.00 3.88 O ATOM 353 CB PHE A 46 18.586 34.897 33.682 1.00 5.02 C ATOM 354 CG PHE A 46 19.618 34.324 34.704 1.00 2.44 C ATOM 355 CD1 PHE A 46 20.415 35.202 35.419 1.00 3.69 C ATOM 356 CD2 PHE A 46 19.588 32.949 34.908 1.00 5.47 C ATOM 357 CE1 PHE A 46 21.358 34.706 36.339 1.00 5.85 C ATOM 358 CE2 PHE A 46 20.562 32.415 35.828 1.00 8.20 C ATOM 359 CZ PHE A 46 21.432 33.293 36.493 1.00 8.61 C ATOM 0 H PHE A 46 16.212 33.715 34.341 1.00 3.79 H new ATOM 0 HA PHE A 46 17.593 35.935 35.095 1.00 0.50 H new ATOM 0 HB2 PHE A 46 18.365 34.210 33.034 1.00 5.02 H new ATOM 0 HB3 PHE A 46 18.995 35.628 33.193 1.00 5.02 H new ATOM 0 HD1 PHE A 46 20.327 36.119 35.291 1.00 3.69 H new ATOM 0 HD2 PHE A 46 18.973 32.403 34.474 1.00 5.47 H new ATOM 0 HE1 PHE A 46 21.909 35.277 36.825 1.00 5.85 H new ATOM 0 HE2 PHE A 46 20.613 31.499 35.979 1.00 8.20 H new ATOM 0 HZ PHE A 46 22.082 32.938 37.056 1.00 8.61 H new ATOM 360 N VAL A 47 16.652 37.531 33.324 1.00 4.50 N ATOM 361 CA VAL A 47 15.930 38.447 32.455 1.00 0.67 C ATOM 362 C VAL A 47 16.875 39.058 31.433 1.00 8.63 C ATOM 363 O VAL A 47 17.834 39.784 31.791 1.00 4.90 O ATOM 364 CB VAL A 47 15.191 39.516 33.273 1.00 5.11 C ATOM 365 CG1 VAL A 47 14.380 40.471 32.302 1.00 2.30 C ATOM 366 CG2 VAL A 47 14.319 38.905 34.346 1.00 8.21 C ATOM 0 H VAL A 47 17.210 37.926 33.845 1.00 4.50 H new ATOM 0 HA VAL A 47 15.254 37.950 31.969 1.00 0.67 H new ATOM 0 HB VAL A 47 15.847 40.054 33.743 1.00 5.11 H new ATOM 0 HG11 VAL A 47 13.915 41.144 32.824 1.00 2.30 H new ATOM 0 HG12 VAL A 47 14.993 40.905 31.688 1.00 2.30 H new ATOM 0 HG13 VAL A 47 13.735 39.949 31.799 1.00 2.30 H new ATOM 0 HG21 VAL A 47 13.871 39.610 34.839 1.00 8.21 H new ATOM 0 HG22 VAL A 47 13.657 38.327 33.935 1.00 8.21 H new ATOM 0 HG23 VAL A 47 14.869 38.386 34.953 1.00 8.21 H new ATOM 367 N HIS A 48 16.655 38.791 30.155 1.00 1.69 N ATOM 368 CA HIS A 48 17.482 39.249 29.031 1.00 1.55 C ATOM 369 C HIS A 48 16.966 40.547 28.468 1.00 9.59 C ATOM 370 O HIS A 48 16.495 40.585 27.344 1.00 7.02 O ATOM 371 CB HIS A 48 17.454 38.180 27.906 1.00 5.02 C ATOM 372 CG HIS A 48 17.955 36.844 28.417 1.00 2.12 C ATOM 373 ND1 HIS A 48 19.328 36.538 28.468 1.00 4.45 N ATOM 374 CD2 HIS A 48 17.232 35.775 28.775 1.00 7.25 C ATOM 375 CE1 HIS A 48 19.357 35.278 28.877 1.00 1.96 C ATOM 376 NE2 HIS A 48 18.132 34.820 29.133 1.00 5.83 N ATOM 0 H HIS A 48 15.987 38.314 29.899 1.00 1.69 H new ATOM 0 HA HIS A 48 18.385 39.385 29.357 1.00 1.55 H new ATOM 0 HB2 HIS A 48 16.550 38.083 27.569 1.00 5.02 H new ATOM 0 HB3 HIS A 48 18.004 38.473 27.162 1.00 5.02 H new ATOM 0 HD1 HIS A 48 19.993 37.049 28.278 1.00 4.45 H new ATOM 0 HD2 HIS A 48 16.305 35.701 28.778 1.00 7.25 H new ATOM 0 HE1 HIS A 48 20.134 34.776 28.973 1.00 1.96 H new ATOM 377 N GLU A 49 16.995 41.578 29.286 1.00 5.60 N ATOM 378 CA GLU A 49 16.567 42.914 28.928 1.00 2.88 C ATOM 379 C GLU A 49 17.438 43.983 29.593 1.00 5.56 C ATOM 380 O GLU A 49 18.323 43.602 30.411 1.00 5.51 O ATOM 381 CB GLU A 49 15.106 43.143 29.388 1.00 5.43 C ATOM 382 CG GLU A 49 14.014 42.151 28.979 1.00 4.90 C ATOM 383 CD GLU A 49 13.675 42.265 27.497 1.00 6.42 C ATOM 384 OE1 GLU A 49 14.089 43.334 26.884 1.00 6.34 O ATOM 385 OE2 GLU A 49 13.086 41.349 26.884 1.00 6.23 O ATOM 0 H GLU A 49 17.275 41.518 30.097 1.00 5.60 H new ATOM 0 HA GLU A 49 16.645 42.989 27.964 1.00 2.88 H new ATOM 0 HB2 GLU A 49 15.111 43.184 30.357 1.00 5.43 H new ATOM 0 HB3 GLU A 49 14.836 44.018 29.068 1.00 5.43 H new ATOM 0 HG2 GLU A 49 14.307 41.247 29.176 1.00 4.90 H new ATOM 0 HG3 GLU A 49 13.216 42.312 29.507 1.00 4.90 H new ATOM 386 N SER A 50 17.231 45.205 29.184 1.00 3.73 N ATOM 387 CA SER A 50 18.057 46.312 29.797 1.00 6.96 C ATOM 388 C SER A 50 17.628 46.427 31.279 1.00 4.99 C ATOM 389 O SER A 50 16.447 46.198 31.688 1.00 5.46 O ATOM 390 CB SER A 50 17.822 47.572 28.979 1.00 8.76 C ATOM 391 OG SER A 50 16.567 48.107 29.439 1.00 11.79 O ATOM 0 H SER A 50 16.659 45.445 28.588 1.00 3.73 H new ATOM 0 HA SER A 50 19.013 46.146 29.783 1.00 6.96 H new ATOM 0 HB2 SER A 50 18.541 48.210 29.108 1.00 8.76 H new ATOM 0 HB3 SER A 50 17.788 47.371 28.031 1.00 8.76 H new ATOM 0 HG SER A 50 16.659 48.922 29.619 1.00 11.79 H new ATOM 392 N LEU A 51 18.631 46.809 32.097 1.00 2.09 N ATOM 393 CA LEU A 51 18.276 47.038 33.528 1.00 2.83 C ATOM 394 C LEU A 51 17.243 48.107 33.630 1.00 4.79 C ATOM 395 O LEU A 51 16.297 47.916 34.448 1.00 4.91 O ATOM 396 CB LEU A 51 19.648 47.458 34.193 1.00 5.30 C ATOM 397 CG LEU A 51 19.529 47.801 35.624 1.00 8.04 C ATOM 398 CD1 LEU A 51 18.952 46.656 36.493 1.00 4.59 C ATOM 399 CD2 LEU A 51 20.901 48.221 36.186 1.00 5.34 C ATOM 0 H LEU A 51 19.453 46.933 31.876 1.00 2.09 H new ATOM 0 HA LEU A 51 17.891 46.263 33.967 1.00 2.83 H new ATOM 0 HB2 LEU A 51 20.283 46.731 34.094 1.00 5.30 H new ATOM 0 HB3 LEU A 51 20.011 48.220 33.714 1.00 5.30 H new ATOM 0 HG LEU A 51 18.899 48.537 35.670 1.00 8.04 H new ATOM 0 HD11 LEU A 51 18.900 46.945 37.417 1.00 4.59 H new ATOM 0 HD12 LEU A 51 18.064 46.425 36.177 1.00 4.59 H new ATOM 0 HD13 LEU A 51 19.529 45.879 36.430 1.00 4.59 H new ATOM 0 HD21 LEU A 51 20.811 48.444 37.126 1.00 5.34 H new ATOM 0 HD22 LEU A 51 21.530 47.489 36.086 1.00 5.34 H new ATOM 0 HD23 LEU A 51 21.227 48.995 35.700 1.00 5.34 H new ATOM 400 N ALA A 52 17.406 49.252 32.864 1.00 3.55 N ATOM 401 CA ALA A 52 16.357 50.283 33.017 1.00 1.62 C ATOM 402 C ALA A 52 14.941 49.749 32.711 1.00 2.01 C ATOM 403 O ALA A 52 13.966 50.092 33.426 1.00 3.76 O ATOM 404 CB ALA A 52 16.653 51.543 32.199 1.00 6.05 C ATOM 0 H ALA A 52 18.047 49.421 32.316 1.00 3.55 H new ATOM 0 HA ALA A 52 16.373 50.530 33.955 1.00 1.62 H new ATOM 0 HB1 ALA A 52 15.941 52.189 32.330 1.00 6.05 H new ATOM 0 HB2 ALA A 52 17.495 51.927 32.490 1.00 6.05 H new ATOM 0 HB3 ALA A 52 16.711 51.312 31.259 1.00 6.05 H new ATOM 405 N ASP A 53 14.838 48.832 31.739 1.00 3.51 N ATOM 406 CA ASP A 53 13.480 48.298 31.433 1.00 4.53 C ATOM 407 C ASP A 53 12.860 47.496 32.557 1.00 4.77 C ATOM 408 O ASP A 53 11.664 47.458 32.915 1.00 5.14 O ATOM 409 CB ASP A 53 13.496 47.420 30.155 1.00 4.90 C ATOM 410 CG ASP A 53 13.483 48.260 28.877 1.00 7.79 C ATOM 411 OD1 ASP A 53 13.379 49.481 28.928 1.00 9.02 O ATOM 412 OD2 ASP A 53 13.557 47.610 27.804 1.00 12.61 O ATOM 0 H ASP A 53 15.486 48.518 31.269 1.00 3.51 H new ATOM 0 HA ASP A 53 12.933 49.088 31.301 1.00 4.53 H new ATOM 0 HB2 ASP A 53 14.285 46.856 30.162 1.00 4.90 H new ATOM 0 HB3 ASP A 53 12.726 46.830 30.160 1.00 4.90 H new ATOM 413 N VAL A 54 13.804 46.770 33.273 1.00 3.63 N ATOM 414 CA VAL A 54 13.331 45.969 34.397 1.00 3.70 C ATOM 415 C VAL A 54 12.975 46.885 35.624 1.00 2.71 C ATOM 416 O VAL A 54 11.986 46.656 36.288 1.00 3.99 O ATOM 417 CB VAL A 54 14.304 44.823 34.704 1.00 3.38 C ATOM 418 CG1 VAL A 54 13.949 44.060 35.930 1.00 4.78 C ATOM 419 CG2 VAL A 54 14.350 43.869 33.528 1.00 2.28 C ATOM 0 H VAL A 54 14.649 46.746 33.117 1.00 3.63 H new ATOM 0 HA VAL A 54 12.499 45.532 34.158 1.00 3.70 H new ATOM 0 HB VAL A 54 15.170 45.230 34.860 1.00 3.38 H new ATOM 0 HG11 VAL A 54 14.598 43.353 36.070 1.00 4.78 H new ATOM 0 HG12 VAL A 54 13.951 44.657 36.695 1.00 4.78 H new ATOM 0 HG13 VAL A 54 13.066 43.672 35.826 1.00 4.78 H new ATOM 0 HG21 VAL A 54 14.965 43.145 33.722 1.00 2.28 H new ATOM 0 HG22 VAL A 54 13.464 43.507 33.370 1.00 2.28 H new ATOM 0 HG23 VAL A 54 14.650 44.344 32.737 1.00 2.28 H new ATOM 420 N GLN A 55 13.890 47.801 35.828 1.00 2.45 N ATOM 421 CA GLN A 55 13.624 48.756 36.953 1.00 6.19 C ATOM 422 C GLN A 55 12.251 49.443 36.799 1.00 6.58 C ATOM 423 O GLN A 55 11.557 49.787 37.770 1.00 6.49 O ATOM 424 CB GLN A 55 14.745 49.787 37.055 1.00 5.43 C ATOM 425 CG GLN A 55 16.014 49.252 37.668 1.00 3.84 C ATOM 426 CD GLN A 55 17.166 50.130 37.362 1.00 3.62 C ATOM 427 OE1 GLN A 55 17.211 50.894 36.390 1.00 7.38 O ATOM 428 NE2 GLN A 55 18.272 49.978 38.128 1.00 4.86 N ATOM 0 H GLN A 55 14.620 47.909 35.386 1.00 2.45 H new ATOM 0 HA GLN A 55 13.601 48.246 37.778 1.00 6.19 H new ATOM 0 HB2 GLN A 55 14.943 50.125 36.168 1.00 5.43 H new ATOM 0 HB3 GLN A 55 14.434 50.539 37.583 1.00 5.43 H new ATOM 0 HG2 GLN A 55 15.906 49.178 38.629 1.00 3.84 H new ATOM 0 HG3 GLN A 55 16.187 48.358 37.333 1.00 3.84 H new ATOM 0 HE21 GLN A 55 18.256 49.450 38.807 1.00 4.86 H new ATOM 0 HE22 GLN A 55 18.991 50.409 37.936 1.00 4.86 H new ATOM 429 N ALA A 56 11.972 49.749 35.522 1.00 3.76 N ATOM 430 CA ALA A 56 10.732 50.474 35.215 1.00 4.58 C ATOM 431 C ALA A 56 9.477 49.749 35.573 1.00 3.32 C ATOM 432 O ALA A 56 8.400 50.321 35.726 1.00 3.89 O ATOM 433 CB ALA A 56 10.748 50.818 33.733 1.00 8.50 C ATOM 0 H ALA A 56 12.466 49.555 34.846 1.00 3.76 H new ATOM 0 HA ALA A 56 10.717 51.270 35.770 1.00 4.58 H new ATOM 0 HB1 ALA A 56 9.937 51.299 33.503 1.00 8.50 H new ATOM 0 HB2 ALA A 56 11.519 51.373 33.538 1.00 8.50 H new ATOM 0 HB3 ALA A 56 10.798 50.002 33.212 1.00 8.50 H new ATOM 434 N VAL A 57 9.610 48.412 35.726 1.00 4.34 N ATOM 435 CA VAL A 57 8.414 47.610 36.084 1.00 1.15 C ATOM 436 C VAL A 57 7.793 48.107 37.413 1.00 2.10 C ATOM 437 O VAL A 57 6.642 47.954 37.719 1.00 3.71 O ATOM 438 CB VAL A 57 8.739 46.160 36.084 1.00 2.75 C ATOM 439 CG1 VAL A 57 7.587 45.243 36.595 1.00 5.83 C ATOM 440 CG2 VAL A 57 9.227 45.625 34.704 1.00 5.68 C ATOM 0 H VAL A 57 10.342 47.970 35.633 1.00 4.34 H new ATOM 0 HA VAL A 57 7.730 47.735 35.408 1.00 1.15 H new ATOM 0 HB VAL A 57 9.472 46.110 36.718 1.00 2.75 H new ATOM 0 HG11 VAL A 57 7.873 44.317 36.565 1.00 5.83 H new ATOM 0 HG12 VAL A 57 7.363 45.483 37.508 1.00 5.83 H new ATOM 0 HG13 VAL A 57 6.807 45.358 36.030 1.00 5.83 H new ATOM 0 HG21 VAL A 57 9.421 44.677 34.774 1.00 5.68 H new ATOM 0 HG22 VAL A 57 8.534 45.765 34.039 1.00 5.68 H new ATOM 0 HG23 VAL A 57 10.030 46.100 34.438 1.00 5.68 H new ATOM 441 N CYS A 58 8.708 48.718 38.230 1.00 3.16 N ATOM 442 CA CYS A 58 8.293 49.290 39.559 1.00 4.93 C ATOM 443 C CYS A 58 7.201 50.359 39.559 1.00 9.08 C ATOM 444 O CYS A 58 6.595 50.703 40.633 1.00 6.32 O ATOM 445 CB CYS A 58 9.577 49.787 40.326 1.00 1.84 C ATOM 446 SG CYS A 58 10.595 48.412 40.786 1.00 5.99 S ATOM 0 H CYS A 58 9.542 48.809 38.042 1.00 3.16 H new ATOM 0 HA CYS A 58 7.858 48.555 40.018 1.00 4.93 H new ATOM 0 HB2 CYS A 58 10.081 50.396 39.764 1.00 1.84 H new ATOM 0 HB3 CYS A 58 9.316 50.283 41.118 1.00 1.84 H new ATOM 447 N SER A 59 6.951 50.894 38.384 1.00 5.88 N ATOM 448 CA SER A 59 5.903 51.887 38.128 1.00 7.29 C ATOM 449 C SER A 59 4.871 51.428 37.106 1.00 8.87 C ATOM 450 O SER A 59 4.192 52.230 36.493 1.00 8.74 O ATOM 451 CB SER A 59 6.524 53.261 37.719 1.00 8.58 C ATOM 452 OG SER A 59 7.351 53.185 36.595 1.00 11.85 O ATOM 0 H SER A 59 7.398 50.688 37.679 1.00 5.88 H new ATOM 0 HA SER A 59 5.424 51.996 38.964 1.00 7.29 H new ATOM 0 HB2 SER A 59 5.809 53.892 37.543 1.00 8.58 H new ATOM 0 HB3 SER A 59 7.035 53.612 38.465 1.00 8.58 H new ATOM 0 HG SER A 59 7.456 52.380 36.378 1.00 11.85 H new ATOM 453 N GLN A 60 4.782 50.054 37.004 1.00 5.52 N ATOM 454 CA GLN A 60 3.809 49.405 36.084 1.00 2.51 C ATOM 455 C GLN A 60 2.642 48.870 36.850 1.00 2.21 C ATOM 456 O GLN A 60 2.184 49.481 37.822 1.00 4.55 O ATOM 457 CB GLN A 60 4.518 48.450 35.164 1.00 1.65 C ATOM 458 CG GLN A 60 5.434 49.214 34.244 1.00 4.77 C ATOM 459 CD GLN A 60 6.276 48.527 33.273 1.00 7.71 C ATOM 460 OE1 GLN A 60 5.996 47.343 32.915 1.00 8.98 O ATOM 461 NE2 GLN A 60 7.310 49.252 32.762 1.00 6.24 N ATOM 0 H GLN A 60 5.269 49.505 37.453 1.00 5.52 H new ATOM 0 HA GLN A 60 3.409 50.051 35.482 1.00 2.51 H new ATOM 0 HB2 GLN A 60 5.028 47.807 35.682 1.00 1.65 H new ATOM 0 HB3 GLN A 60 3.871 47.947 34.645 1.00 1.65 H new ATOM 0 HG2 GLN A 60 4.881 49.837 33.748 1.00 4.77 H new ATOM 0 HG3 GLN A 60 6.023 49.742 34.806 1.00 4.77 H new ATOM 0 HE21 GLN A 60 7.454 50.052 33.042 1.00 6.24 H new ATOM 0 HE22 GLN A 60 7.819 48.909 32.159 1.00 6.24 H new ATOM 462 N LYS A 61 2.067 47.725 36.493 1.00 4.80 N ATOM 463 CA LYS A 61 0.841 47.305 37.157 1.00 10.33 C ATOM 464 C LYS A 61 0.988 46.656 38.486 1.00 4.01 C ATOM 465 O LYS A 61 1.534 45.587 38.639 1.00 5.79 O ATOM 466 CB LYS A 61 0.030 46.389 36.186 1.00 8.20 C ATOM 467 CG LYS A 61 -1.387 46.083 36.697 1.00 19.73 C ATOM 468 CD LYS A 61 -1.947 44.976 35.777 1.00 34.57 C ATOM 469 CE LYS A 61 -3.394 44.671 36.186 1.00 30.10 C ATOM 470 NZ LYS A 61 -3.896 45.892 36.902 1.00 26.43 N ATOM 0 H LYS A 61 2.361 47.191 35.886 1.00 4.80 H new ATOM 0 HA LYS A 61 0.369 48.127 37.362 1.00 10.33 H new ATOM 0 HB2 LYS A 61 -0.030 46.818 35.318 1.00 8.20 H new ATOM 0 HB3 LYS A 61 0.510 45.556 36.058 1.00 8.20 H new ATOM 0 HG2 LYS A 61 -1.366 45.788 37.621 1.00 19.73 H new ATOM 0 HG3 LYS A 61 -1.945 46.875 36.665 1.00 19.73 H new ATOM 0 HD2 LYS A 61 -1.914 45.262 34.851 1.00 34.57 H new ATOM 0 HD3 LYS A 61 -1.403 44.176 35.847 1.00 34.57 H new ATOM 0 HE2 LYS A 61 -3.940 44.477 35.408 1.00 30.10 H new ATOM 0 HE3 LYS A 61 -3.434 43.891 36.762 1.00 30.10 H new ATOM 0 HZ1 LYS A 61 -4.765 45.801 37.070 1.00 26.43 H new ATOM 0 HZ2 LYS A 61 -3.455 45.989 37.669 1.00 26.43 H new ATOM 0 HZ3 LYS A 61 -3.766 46.610 36.392 1.00 26.43 H new ATOM 471 N ASN A 62 0.397 47.343 39.508 1.00 5.52 N ATOM 472 CA ASN A 62 0.499 46.770 40.888 1.00 3.98 C ATOM 473 C ASN A 62 -0.254 45.434 40.939 1.00 4.14 C ATOM 474 O ASN A 62 -1.405 45.281 40.428 1.00 5.37 O ATOM 475 CB ASN A 62 -0.063 47.763 41.910 1.00 1.42 C ATOM 476 CG ASN A 62 0.025 47.229 43.341 1.00 12.34 C ATOM 477 OD1 ASN A 62 -0.994 46.961 44.006 1.00 9.90 O ATOM 478 ND2 ASN A 62 1.294 47.076 43.853 1.00 5.91 N ATOM 0 H ASN A 62 -0.034 48.083 39.435 1.00 5.52 H new ATOM 0 HA ASN A 62 1.429 46.609 41.110 1.00 3.98 H new ATOM 0 HB2 ASN A 62 0.424 48.599 41.848 1.00 1.42 H new ATOM 0 HB3 ASN A 62 -0.989 47.957 41.695 1.00 1.42 H new ATOM 0 HD21 ASN A 62 1.402 46.787 44.656 1.00 5.91 H new ATOM 0 HD22 ASN A 62 1.979 47.269 43.370 1.00 5.91 H new ATOM 479 N VAL A 63 0.233 44.480 41.706 1.00 3.65 N ATOM 480 CA VAL A 63 -0.358 43.182 42.013 1.00 3.75 C ATOM 481 C VAL A 63 0.246 42.685 43.290 1.00 5.76 C ATOM 482 O VAL A 63 1.456 42.914 43.597 1.00 8.17 O ATOM 483 CB VAL A 63 -0.195 42.227 40.837 1.00 5.54 C ATOM 484 CG1 VAL A 63 1.267 41.807 40.581 1.00 5.12 C ATOM 485 CG2 VAL A 63 -1.095 40.967 40.990 1.00 10.96 C ATOM 0 H VAL A 63 0.990 44.580 42.101 1.00 3.65 H new ATOM 0 HA VAL A 63 -1.316 43.254 42.149 1.00 3.75 H new ATOM 0 HB VAL A 63 -0.485 42.730 40.060 1.00 5.54 H new ATOM 0 HG11 VAL A 63 1.302 41.202 39.823 1.00 5.12 H new ATOM 0 HG12 VAL A 63 1.801 42.594 40.391 1.00 5.12 H new ATOM 0 HG13 VAL A 63 1.618 41.360 41.367 1.00 5.12 H new ATOM 0 HG21 VAL A 63 -0.967 40.383 40.226 1.00 10.96 H new ATOM 0 HG22 VAL A 63 -0.855 40.494 41.802 1.00 10.96 H new ATOM 0 HG23 VAL A 63 -2.025 41.237 41.037 1.00 10.96 H new ATOM 486 N ALA A 64 -0.552 41.998 44.108 1.00 5.78 N ATOM 487 CA ALA A 64 -0.036 41.425 45.386 1.00 7.36 C ATOM 488 C ALA A 64 0.894 40.318 45.028 1.00 3.42 C ATOM 489 O ALA A 64 0.644 39.516 44.057 1.00 6.25 O ATOM 490 CB ALA A 64 -1.217 40.776 46.204 1.00 3.90 C ATOM 0 H ALA A 64 -1.385 41.847 43.957 1.00 5.78 H new ATOM 0 HA ALA A 64 0.390 42.123 45.909 1.00 7.36 H new ATOM 0 HB1 ALA A 64 -0.873 40.407 47.032 1.00 3.90 H new ATOM 0 HB2 ALA A 64 -1.882 41.453 46.404 1.00 3.90 H new ATOM 0 HB3 ALA A 64 -1.624 40.069 45.679 1.00 3.90 H new ATOM 491 N CYS A 65 2.089 40.242 45.692 1.00 3.47 N ATOM 492 CA CYS A 65 3.034 39.173 45.488 1.00 2.68 C ATOM 493 C CYS A 65 2.473 37.836 45.999 1.00 0.50 C ATOM 494 O CYS A 65 1.498 37.875 46.817 1.00 4.82 O ATOM 495 CB CYS A 65 4.317 39.402 46.357 1.00 2.84 C ATOM 496 SG CYS A 65 4.923 41.120 46.306 1.00 5.65 S ATOM 0 H CYS A 65 2.346 40.826 46.269 1.00 3.47 H new ATOM 0 HA CYS A 65 3.220 39.156 44.536 1.00 2.68 H new ATOM 0 HB2 CYS A 65 4.125 39.160 47.277 1.00 2.84 H new ATOM 0 HB3 CYS A 65 5.019 38.808 46.049 1.00 2.84 H new ATOM 497 N LYS A 66 3.122 36.767 45.590 1.00 4.00 N ATOM 498 CA LYS A 66 2.694 35.431 46.050 1.00 4.58 C ATOM 499 C LYS A 66 2.516 35.431 47.584 1.00 5.56 C ATOM 500 O LYS A 66 1.556 34.820 48.044 1.00 7.49 O ATOM 501 CB LYS A 66 3.668 34.324 45.744 1.00 7.01 C ATOM 502 CG LYS A 66 3.832 33.980 44.261 1.00 9.73 C ATOM 503 CD LYS A 66 4.998 33.064 44.006 1.00 9.20 C ATOM 504 CE LYS A 66 5.044 32.644 42.524 1.00 17.37 C ATOM 505 NZ LYS A 66 6.254 31.880 42.217 1.00 17.24 N ATOM 0 H LYS A 66 3.799 36.774 45.059 1.00 4.00 H new ATOM 0 HA LYS A 66 1.869 35.260 45.569 1.00 4.58 H new ATOM 0 HB2 LYS A 66 4.536 34.570 46.100 1.00 7.01 H new ATOM 0 HB3 LYS A 66 3.384 33.525 46.216 1.00 7.01 H new ATOM 0 HG2 LYS A 66 3.019 33.561 43.938 1.00 9.73 H new ATOM 0 HG3 LYS A 66 3.951 34.798 43.754 1.00 9.73 H new ATOM 0 HD2 LYS A 66 5.825 33.510 44.247 1.00 9.20 H new ATOM 0 HD3 LYS A 66 4.926 32.277 44.568 1.00 9.20 H new ATOM 0 HE2 LYS A 66 4.262 32.110 42.314 1.00 17.37 H new ATOM 0 HE3 LYS A 66 5.008 33.434 41.962 1.00 17.37 H new ATOM 0 HZ1 LYS A 66 6.101 31.348 41.520 1.00 17.24 H new ATOM 0 HZ2 LYS A 66 6.917 32.440 42.022 1.00 17.24 H new ATOM 0 HZ3 LYS A 66 6.481 31.387 42.922 1.00 17.24 H new ATOM 506 N ASN A 67 3.445 36.042 48.350 1.00 2.49 N ATOM 507 CA ASN A 67 3.355 36.004 49.781 1.00 5.65 C ATOM 508 C ASN A 67 2.381 37.073 50.395 1.00 6.14 C ATOM 509 O ASN A 67 2.262 37.149 51.621 1.00 9.64 O ATOM 510 CB ASN A 67 4.772 36.195 50.395 1.00 8.76 C ATOM 511 CG ASN A 67 5.200 37.645 50.446 1.00 26.77 C ATOM 512 OD1 ASN A 67 4.802 38.562 49.679 1.00 15.07 O ATOM 513 ND2 ASN A 67 6.099 37.913 51.417 1.00 19.00 N ATOM 0 H ASN A 67 4.121 36.475 48.042 1.00 2.49 H new ATOM 0 HA ASN A 67 2.985 35.135 50.003 1.00 5.65 H new ATOM 0 HB2 ASN A 67 4.783 35.827 51.293 1.00 8.76 H new ATOM 0 HB3 ASN A 67 5.416 35.690 49.874 1.00 8.76 H new ATOM 0 HD21 ASN A 67 6.402 38.712 51.514 1.00 19.00 H new ATOM 0 HD22 ASN A 67 6.368 37.285 51.939 1.00 19.00 H new ATOM 514 N GLY A 68 1.658 37.836 49.526 1.00 4.00 N ATOM 515 CA GLY A 68 0.639 38.753 49.986 1.00 4.67 C ATOM 516 C GLY A 68 1.112 40.204 50.088 1.00 5.18 C ATOM 517 O GLY A 68 0.182 41.043 50.139 1.00 6.07 O ATOM 0 H GLY A 68 1.761 37.819 48.672 1.00 4.00 H new ATOM 0 HA2 GLY A 68 -0.119 38.711 49.382 1.00 4.67 H new ATOM 0 HA3 GLY A 68 0.324 38.463 50.856 1.00 4.67 H new ATOM 518 N GLN A 69 2.410 40.356 50.088 1.00 6.89 N ATOM 519 CA GLN A 69 2.868 41.807 50.139 1.00 5.69 C ATOM 520 C GLN A 69 2.234 42.533 48.964 1.00 4.34 C ATOM 521 O GLN A 69 1.955 41.922 47.890 1.00 5.60 O ATOM 522 CB GLN A 69 4.374 41.883 50.037 1.00 4.35 C ATOM 523 CG GLN A 69 5.081 41.349 51.263 1.00 3.55 C ATOM 524 CD GLN A 69 6.602 41.425 51.008 1.00 23.66 C ATOM 525 OE1 GLN A 69 7.309 40.700 51.723 1.00 20.09 O ATOM 526 NE2 GLN A 69 7.193 42.189 50.088 1.00 6.08 N ATOM 0 H GLN A 69 3.013 39.743 50.063 1.00 6.89 H new ATOM 0 HA GLN A 69 2.601 42.215 50.978 1.00 5.69 H new ATOM 0 HB2 GLN A 69 4.665 41.383 49.259 1.00 4.35 H new ATOM 0 HB3 GLN A 69 4.637 42.806 49.895 1.00 4.35 H new ATOM 0 HG2 GLN A 69 4.842 41.869 52.046 1.00 3.55 H new ATOM 0 HG3 GLN A 69 4.812 40.434 51.438 1.00 3.55 H new ATOM 0 HE21 GLN A 69 6.719 42.698 49.583 1.00 6.08 H new ATOM 0 HE22 GLN A 69 8.048 42.172 50.000 1.00 6.08 H new ATOM 527 N THR A 70 2.013 43.831 49.117 1.00 2.67 N ATOM 528 CA THR A 70 1.335 44.671 48.095 1.00 2.05 C ATOM 529 C THR A 70 2.398 45.434 47.277 1.00 6.88 C ATOM 530 O THR A 70 1.926 46.351 46.459 1.00 8.06 O ATOM 531 CB THR A 70 0.242 45.472 48.708 1.00 7.09 C ATOM 532 OG1 THR A 70 0.861 46.236 49.730 1.00 12.68 O ATOM 533 CG2 THR A 70 -0.925 44.632 49.270 1.00 7.88 C ATOM 0 H THR A 70 2.249 44.267 49.819 1.00 2.67 H new ATOM 0 HA THR A 70 0.863 44.133 47.440 1.00 2.05 H new ATOM 0 HB THR A 70 -0.178 46.022 48.028 1.00 7.09 H new ATOM 0 HG1 THR A 70 0.284 46.713 50.112 1.00 12.68 H new ATOM 0 HG21 THR A 70 -1.594 45.222 49.651 1.00 7.88 H new ATOM 0 HG22 THR A 70 -1.323 44.111 48.555 1.00 7.88 H new ATOM 0 HG23 THR A 70 -0.592 44.035 49.958 1.00 7.88 H new ATOM 534 N ASN A 71 3.682 45.205 47.328 1.00 4.16 N ATOM 535 CA ASN A 71 4.642 45.931 46.561 1.00 4.46 C ATOM 536 C ASN A 71 5.189 45.205 45.386 1.00 4.12 C ATOM 537 O ASN A 71 6.385 45.396 45.028 1.00 4.22 O ATOM 538 CB ASN A 71 5.822 46.465 47.481 1.00 2.83 C ATOM 539 CG ASN A 71 6.604 45.281 48.044 1.00 7.16 C ATOM 540 OD1 ASN A 71 6.043 44.289 48.452 1.00 11.51 O ATOM 541 ND2 ASN A 71 7.977 45.434 48.095 1.00 7.39 N ATOM 0 H ASN A 71 4.030 44.599 47.830 1.00 4.16 H new ATOM 0 HA ASN A 71 4.146 46.679 46.193 1.00 4.46 H new ATOM 0 HB2 ASN A 71 6.411 47.039 46.967 1.00 2.83 H new ATOM 0 HB3 ASN A 71 5.463 47.002 48.205 1.00 2.83 H new ATOM 0 HD21 ASN A 71 8.467 44.810 48.426 1.00 7.39 H new ATOM 0 HD22 ASN A 71 8.341 46.153 47.795 1.00 7.39 H new ATOM 542 N CYS A 72 4.378 44.403 44.721 1.00 3.73 N ATOM 543 CA CYS A 72 4.748 43.678 43.546 1.00 2.20 C ATOM 544 C CYS A 72 4.070 44.403 42.319 1.00 3.86 C ATOM 545 O CYS A 72 3.051 45.129 42.473 1.00 4.23 O ATOM 546 CB CYS A 72 4.349 42.189 43.495 1.00 3.24 C ATOM 547 SG CYS A 72 5.647 41.196 44.313 1.00 7.30 S ATOM 0 H CYS A 72 3.563 44.267 44.960 1.00 3.73 H new ATOM 0 HA CYS A 72 5.718 43.677 43.534 1.00 2.20 H new ATOM 0 HB2 CYS A 72 3.496 42.055 43.938 1.00 3.24 H new ATOM 0 HB3 CYS A 72 4.239 41.903 42.575 1.00 3.24 H new ATOM 548 N TYR A 73 4.720 44.251 41.195 1.00 1.02 N ATOM 549 CA TYR A 73 4.323 44.938 39.917 1.00 6.40 C ATOM 550 C TYR A 73 4.560 43.945 38.793 1.00 4.09 C ATOM 551 O TYR A 73 5.593 43.296 38.690 1.00 3.30 O ATOM 552 CB TYR A 73 5.194 46.236 39.661 1.00 8.37 C ATOM 553 CG TYR A 73 4.971 47.190 40.837 1.00 6.13 C ATOM 554 CD1 TYR A 73 3.938 48.107 40.837 1.00 2.44 C ATOM 555 CD2 TYR A 73 5.797 47.076 41.961 1.00 5.16 C ATOM 556 CE1 TYR A 73 3.657 48.947 41.910 1.00 3.59 C ATOM 557 CE2 TYR A 73 5.530 47.878 43.086 1.00 10.30 C ATOM 558 CZ TYR A 73 4.482 48.832 43.035 1.00 7.13 C ATOM 559 OH TYR A 73 4.304 49.596 44.159 1.00 6.83 O ATOM 0 H TYR A 73 5.414 43.749 41.117 1.00 1.02 H new ATOM 0 HA TYR A 73 3.395 45.217 39.967 1.00 6.40 H new ATOM 0 HB2 TYR A 73 6.133 46.005 39.584 1.00 8.37 H new ATOM 0 HB3 TYR A 73 4.936 46.659 38.827 1.00 8.37 H new ATOM 0 HD1 TYR A 73 3.402 48.166 40.079 1.00 2.44 H new ATOM 0 HD2 TYR A 73 6.511 46.480 41.964 1.00 5.16 H new ATOM 0 HE1 TYR A 73 2.955 49.556 41.881 1.00 3.59 H new ATOM 0 HE2 TYR A 73 6.038 47.783 43.859 1.00 10.30 H new ATOM 0 HH TYR A 73 3.490 49.787 44.242 1.00 6.83 H new ATOM 560 N GLN A 74 3.586 43.945 37.873 1.00 7.98 N ATOM 561 CA GLN A 74 3.661 43.105 36.697 1.00 7.19 C ATOM 562 C GLN A 74 4.016 44.022 35.470 1.00 3.38 C ATOM 563 O GLN A 74 3.396 45.052 35.266 1.00 6.70 O ATOM 564 CB GLN A 74 2.362 42.380 36.390 1.00 6.68 C ATOM 565 CG GLN A 74 2.540 41.502 35.164 1.00 6.16 C ATOM 566 CD GLN A 74 1.271 40.700 34.959 1.00 16.25 C ATOM 567 OE1 GLN A 74 0.916 40.013 35.879 1.00 10.55 O ATOM 568 NE2 GLN A 74 0.741 40.776 33.733 1.00 20.54 N ATOM 0 H GLN A 74 2.877 44.429 37.922 1.00 7.98 H new ATOM 0 HA GLN A 74 4.334 42.427 36.865 1.00 7.19 H new ATOM 0 HB2 GLN A 74 2.097 41.839 37.150 1.00 6.68 H new ATOM 0 HB3 GLN A 74 1.652 43.023 36.238 1.00 6.68 H new ATOM 0 HG2 GLN A 74 2.724 42.047 34.383 1.00 6.16 H new ATOM 0 HG3 GLN A 74 3.298 40.909 35.281 1.00 6.16 H new ATOM 0 HE21 GLN A 74 1.081 41.308 33.150 1.00 20.54 H new ATOM 0 HE22 GLN A 74 0.060 40.293 33.528 1.00 20.54 H new ATOM 569 N SER A 75 5.006 43.563 34.704 1.00 4.42 N ATOM 570 CA SER A 75 5.435 44.289 33.528 1.00 2.85 C ATOM 571 C SER A 75 4.255 44.403 32.506 1.00 7.63 C ATOM 572 O SER A 75 3.605 43.334 32.302 1.00 5.83 O ATOM 573 CB SER A 75 6.601 43.640 32.864 1.00 5.86 C ATOM 574 OG SER A 75 6.351 42.303 32.404 1.00 4.96 O ATOM 0 H SER A 75 5.437 42.834 34.854 1.00 4.42 H new ATOM 0 HA SER A 75 5.709 45.172 33.820 1.00 2.85 H new ATOM 0 HB2 SER A 75 6.874 44.185 32.109 1.00 5.86 H new ATOM 0 HB3 SER A 75 7.345 43.623 33.486 1.00 5.86 H new ATOM 0 HG SER A 75 6.346 42.292 31.564 1.00 4.96 H new ATOM 575 N TYR A 76 4.181 45.511 31.842 1.00 5.63 N ATOM 576 CA TYR A 76 3.149 45.701 30.819 1.00 7.81 C ATOM 577 C TYR A 76 3.504 44.823 29.593 1.00 8.45 C ATOM 578 O TYR A 76 2.545 44.365 28.928 1.00 11.04 O ATOM 579 CB TYR A 76 3.179 47.190 30.411 1.00 7.14 C ATOM 580 CG TYR A 76 2.632 48.145 31.484 1.00 6.82 C ATOM 581 CD1 TYR A 76 1.568 47.840 32.302 1.00 9.58 C ATOM 582 CD2 TYR A 76 3.178 49.443 31.535 1.00 19.74 C ATOM 583 CE1 TYR A 76 1.095 48.756 33.222 1.00 13.77 C ATOM 584 CE2 TYR A 76 2.675 50.359 32.455 1.00 13.93 C ATOM 585 CZ TYR A 76 1.612 50.016 33.273 1.00 9.70 C ATOM 586 OH TYR A 76 1.139 50.970 34.193 1.00 13.72 O ATOM 0 H TYR A 76 4.709 46.181 31.952 1.00 5.63 H new ATOM 0 HA TYR A 76 2.271 45.454 31.149 1.00 7.81 H new ATOM 0 HB2 TYR A 76 4.093 47.441 30.204 1.00 7.14 H new ATOM 0 HB3 TYR A 76 2.663 47.303 29.597 1.00 7.14 H new ATOM 0 HD1 TYR A 76 1.162 47.006 32.235 1.00 9.58 H new ATOM 0 HD2 TYR A 76 3.867 49.685 30.960 1.00 19.74 H new ATOM 0 HE1 TYR A 76 0.418 48.511 33.811 1.00 13.77 H new ATOM 0 HE2 TYR A 76 3.055 51.205 32.520 1.00 13.93 H new ATOM 0 HH TYR A 76 1.562 51.689 34.094 1.00 13.72 H new ATOM 587 N SER A 77 4.744 44.671 29.286 1.00 5.57 N ATOM 588 CA SER A 77 5.277 43.945 28.162 1.00 6.01 C ATOM 589 C SER A 77 5.867 42.609 28.571 1.00 7.82 C ATOM 590 O SER A 77 6.382 42.494 29.644 1.00 7.93 O ATOM 591 CB SER A 77 6.458 44.594 27.446 1.00 7.19 C ATOM 592 OG SER A 77 6.163 45.778 26.731 1.00 33.64 O ATOM 0 H SER A 77 5.367 45.018 29.767 1.00 5.57 H new ATOM 0 HA SER A 77 4.495 43.897 27.589 1.00 6.01 H new ATOM 0 HB2 SER A 77 7.143 44.794 28.103 1.00 7.19 H new ATOM 0 HB3 SER A 77 6.836 43.948 26.829 1.00 7.19 H new ATOM 0 HG SER A 77 6.863 46.070 26.370 1.00 33.64 H new ATOM 593 N THR A 78 5.882 41.654 27.599 1.00 7.63 N ATOM 594 CA THR A 78 6.590 40.394 27.804 1.00 10.17 C ATOM 595 C THR A 78 8.111 40.738 27.651 1.00 6.61 C ATOM 596 O THR A 78 8.525 41.731 27.037 1.00 7.28 O ATOM 597 CB THR A 78 6.104 39.287 26.833 1.00 7.99 C ATOM 598 OG1 THR A 78 6.533 39.669 25.555 1.00 15.28 O ATOM 599 CG2 THR A 78 4.658 39.058 26.935 1.00 8.16 C ATOM 0 H THR A 78 5.492 41.730 26.836 1.00 7.63 H new ATOM 0 HA THR A 78 6.415 40.020 28.682 1.00 10.17 H new ATOM 0 HB THR A 78 6.484 38.423 27.058 1.00 7.99 H new ATOM 0 HG1 THR A 78 6.291 39.093 24.994 1.00 15.28 H new ATOM 0 HG21 THR A 78 4.396 38.361 26.314 1.00 8.16 H new ATOM 0 HG22 THR A 78 4.436 38.785 27.839 1.00 8.16 H new ATOM 0 HG23 THR A 78 4.185 39.877 26.720 1.00 8.16 H new ATOM 600 N MET A 79 8.834 39.860 28.315 1.00 4.69 N ATOM 601 CA MET A 79 10.310 39.974 28.315 1.00 11.62 C ATOM 602 C MET A 79 10.959 38.600 28.008 1.00 3.27 C ATOM 603 O MET A 79 10.339 37.607 28.315 1.00 6.49 O ATOM 604 CB MET A 79 10.855 40.433 29.695 1.00 3.75 C ATOM 605 CG MET A 79 10.323 41.922 29.899 1.00 2.97 C ATOM 606 SD MET A 79 10.986 42.571 31.484 1.00 7.09 S ATOM 607 CE MET A 79 10.396 44.251 31.382 1.00 8.44 C ATOM 0 H MET A 79 8.516 39.201 28.766 1.00 4.69 H new ATOM 0 HA MET A 79 10.534 40.630 27.636 1.00 11.62 H new ATOM 0 HB2 MET A 79 10.541 39.851 30.404 1.00 3.75 H new ATOM 0 HB3 MET A 79 11.824 40.404 29.713 1.00 3.75 H new ATOM 0 HG2 MET A 79 10.606 42.484 29.161 1.00 2.97 H new ATOM 0 HG3 MET A 79 9.353 41.934 29.910 1.00 2.97 H new ATOM 0 HE1 MET A 79 10.674 44.740 32.172 1.00 8.44 H new ATOM 0 HE2 MET A 79 10.765 44.676 30.592 1.00 8.44 H new ATOM 0 HE3 MET A 79 9.428 44.251 31.326 1.00 8.44 H new ATOM 608 N SER A 80 12.141 38.676 27.395 1.00 3.00 N ATOM 609 CA SER A 80 12.923 37.455 27.139 1.00 2.77 C ATOM 610 C SER A 80 13.512 36.958 28.468 1.00 2.98 C ATOM 611 O SER A 80 14.206 37.836 29.133 1.00 4.25 O ATOM 612 CB SER A 80 14.016 37.684 26.117 1.00 8.20 C ATOM 613 OG SER A 80 14.784 36.462 26.117 1.00 4.89 O ATOM 0 H SER A 80 12.505 39.406 27.123 1.00 3.00 H new ATOM 0 HA SER A 80 12.334 36.781 26.766 1.00 2.77 H new ATOM 0 HB2 SER A 80 13.645 37.866 25.240 1.00 8.20 H new ATOM 0 HB3 SER A 80 14.567 38.446 26.356 1.00 8.20 H new ATOM 0 HG SER A 80 15.521 36.594 25.736 1.00 4.89 H new ATOM 614 N ILE A 81 13.158 35.775 28.877 1.00 3.32 N ATOM 615 CA ILE A 81 13.644 35.240 30.155 1.00 4.22 C ATOM 616 C ILE A 81 14.146 33.789 29.951 1.00 10.60 C ATOM 617 O ILE A 81 13.763 33.140 29.031 1.00 5.34 O ATOM 618 CB ILE A 81 12.610 35.126 31.279 1.00 5.72 C ATOM 619 CG1 ILE A 81 11.444 34.286 30.922 1.00 8.49 C ATOM 620 CG2 ILE A 81 12.122 36.576 31.637 1.00 10.65 C ATOM 621 CD1 ILE A 81 10.454 33.980 31.995 1.00 11.00 C ATOM 0 H ILE A 81 12.636 35.248 28.442 1.00 3.32 H new ATOM 0 HA ILE A 81 14.321 35.882 30.421 1.00 4.22 H new ATOM 0 HB ILE A 81 13.037 34.692 32.034 1.00 5.72 H new ATOM 0 HG12 ILE A 81 10.972 34.724 30.197 1.00 8.49 H new ATOM 0 HG13 ILE A 81 11.778 33.444 30.575 1.00 8.49 H new ATOM 0 HG21 ILE A 81 11.465 36.530 32.349 1.00 10.65 H new ATOM 0 HG22 ILE A 81 12.878 37.109 31.930 1.00 10.65 H new ATOM 0 HG23 ILE A 81 11.722 36.986 30.854 1.00 10.65 H new ATOM 0 HD11 ILE A 81 9.745 33.426 31.633 1.00 11.00 H new ATOM 0 HD12 ILE A 81 10.896 33.507 32.718 1.00 11.00 H new ATOM 0 HD13 ILE A 81 10.077 34.807 32.333 1.00 11.00 H new ATOM 622 N THR A 82 14.986 33.408 30.922 1.00 6.41 N ATOM 623 CA THR A 82 15.503 32.033 30.973 1.00 6.32 C ATOM 624 C THR A 82 15.103 31.498 32.353 1.00 2.61 C ATOM 625 O THR A 82 15.294 32.148 33.426 1.00 4.58 O ATOM 626 CB THR A 82 17.009 31.918 30.768 1.00 3.64 C ATOM 627 OG1 THR A 82 17.349 32.262 29.491 1.00 4.26 O ATOM 628 CG2 THR A 82 17.436 30.468 31.024 1.00 4.29 C ATOM 0 H THR A 82 15.265 33.922 31.552 1.00 6.41 H new ATOM 0 HA THR A 82 15.127 31.521 30.240 1.00 6.32 H new ATOM 0 HB THR A 82 17.457 32.519 31.384 1.00 3.64 H new ATOM 0 HG1 THR A 82 17.744 33.003 29.496 1.00 4.26 H new ATOM 0 HG21 THR A 82 18.394 30.385 30.896 1.00 4.29 H new ATOM 0 HG22 THR A 82 17.209 30.220 31.934 1.00 4.29 H new ATOM 0 HG23 THR A 82 16.975 29.881 30.405 1.00 4.29 H new ATOM 629 N ASP A 83 14.513 30.315 32.353 1.00 3.41 N ATOM 630 CA ASP A 83 14.128 29.704 33.682 1.00 3.24 C ATOM 631 C ASP A 83 15.191 28.597 33.886 1.00 6.15 C ATOM 632 O ASP A 83 15.531 27.833 32.915 1.00 4.75 O ATOM 633 CB ASP A 83 12.697 29.131 33.528 1.00 16.41 C ATOM 634 CG ASP A 83 12.430 28.406 34.857 1.00 53.29 C ATOM 635 OD1 ASP A 83 11.942 29.017 35.828 1.00 37.90 O ATOM 636 OD2 ASP A 83 12.814 27.184 34.755 1.00 28.95 O ATOM 0 H ASP A 83 14.323 29.850 31.655 1.00 3.41 H new ATOM 0 HA ASP A 83 14.112 30.312 34.438 1.00 3.24 H new ATOM 0 HB2 ASP A 83 12.049 29.836 33.373 1.00 16.41 H new ATOM 0 HB3 ASP A 83 12.639 28.522 32.775 1.00 16.41 H new ATOM 637 N CYS A 84 15.662 28.520 35.113 1.00 5.14 N ATOM 638 CA CYS A 84 16.695 27.490 35.522 1.00 3.38 C ATOM 639 C CYS A 84 16.074 26.688 36.646 1.00 8.93 C ATOM 640 O CYS A 84 15.498 27.261 37.617 1.00 6.42 O ATOM 641 CB CYS A 84 17.979 28.215 35.982 1.00 5.45 C ATOM 642 SG CYS A 84 18.732 29.284 34.806 1.00 5.91 S ATOM 0 H CYS A 84 15.416 29.042 35.750 1.00 5.14 H new ATOM 0 HA CYS A 84 16.942 26.902 34.791 1.00 3.38 H new ATOM 0 HB2 CYS A 84 17.769 28.733 36.774 1.00 5.45 H new ATOM 0 HB3 CYS A 84 18.629 27.545 36.245 1.00 5.45 H new ATOM 643 N ARG A 85 16.163 25.390 36.544 1.00 5.99 N ATOM 644 CA ARG A 85 15.527 24.473 37.515 1.00 9.33 C ATOM 645 C ARG A 85 16.472 23.290 37.719 1.00 3.62 C ATOM 646 O ARG A 85 16.974 22.755 36.697 1.00 7.16 O ATOM 647 CB ARG A 85 14.273 23.824 36.850 1.00 13.09 C ATOM 648 CG ARG A 85 13.004 24.512 37.259 1.00 40.63 C ATOM 649 CD ARG A 85 11.986 24.206 36.186 1.00 63.50 C ATOM 650 NE ARG A 85 11.159 25.428 36.084 1.00 31.39 N ATOM 651 CZ ARG A 85 10.598 26.001 37.106 1.00 29.07 C ATOM 652 NH1 ARG A 85 10.774 25.504 38.333 1.00 64.00 N ATOM 653 NH2 ARG A 85 9.875 27.108 36.953 1.00 36.68 N ATOM 0 H ARG A 85 16.591 24.991 35.914 1.00 5.99 H new ATOM 0 HA ARG A 85 15.317 24.961 38.327 1.00 9.33 H new ATOM 0 HB2 ARG A 85 14.364 23.861 35.885 1.00 13.09 H new ATOM 0 HB3 ARG A 85 14.226 22.887 37.095 1.00 13.09 H new ATOM 0 HG2 ARG A 85 12.701 24.193 38.123 1.00 40.63 H new ATOM 0 HG3 ARG A 85 13.141 25.469 37.342 1.00 40.63 H new ATOM 0 HD2 ARG A 85 12.417 24.002 35.341 1.00 63.50 H new ATOM 0 HD3 ARG A 85 11.447 23.435 36.423 1.00 63.50 H new ATOM 0 HE ARG A 85 11.043 25.778 35.307 1.00 31.39 H new ATOM 0 HH11 ARG A 85 11.259 24.803 38.448 1.00 64.00 H new ATOM 0 HH12 ARG A 85 10.402 25.885 39.009 1.00 64.00 H new ATOM 0 HH21 ARG A 85 9.775 27.452 36.171 1.00 36.68 H new ATOM 0 HH22 ARG A 85 9.508 27.480 37.636 1.00 36.68 H new ATOM 654 N GLU A 86 16.722 22.908 38.997 1.00 6.56 N ATOM 655 CA GLU A 86 17.651 21.801 39.150 1.00 5.06 C ATOM 656 C GLU A 86 17.194 20.503 38.384 1.00 4.40 C ATOM 657 O GLU A 86 15.969 20.235 38.333 1.00 5.51 O ATOM 658 CB GLU A 86 17.857 21.343 40.581 1.00 9.23 C ATOM 659 CG GLU A 86 18.727 22.183 41.450 1.00 10.29 C ATOM 660 CD GLU A 86 18.859 21.648 42.933 1.00 10.81 C ATOM 661 OE1 GLU A 86 17.751 21.686 43.597 1.00 10.59 O ATOM 662 OE2 GLU A 86 19.936 21.152 43.188 1.00 5.41 O ATOM 0 H GLU A 86 16.392 23.249 39.714 1.00 6.56 H new ATOM 0 HA GLU A 86 18.469 22.176 38.787 1.00 5.06 H new ATOM 0 HB2 GLU A 86 16.986 21.277 41.003 1.00 9.23 H new ATOM 0 HB3 GLU A 86 18.230 20.448 40.559 1.00 9.23 H new ATOM 0 HG2 GLU A 86 19.611 22.235 41.054 1.00 10.29 H new ATOM 0 HG3 GLU A 86 18.373 23.086 41.471 1.00 10.29 H new ATOM 663 N THR A 87 18.139 19.815 37.975 1.00 6.66 N ATOM 664 CA THR A 87 18.022 18.479 37.362 1.00 3.76 C ATOM 665 C THR A 87 17.873 17.486 38.486 1.00 8.84 C ATOM 666 O THR A 87 18.212 17.792 39.661 1.00 8.64 O ATOM 667 CB THR A 87 19.469 18.441 36.748 1.00 24.04 C ATOM 668 OG1 THR A 87 19.308 18.708 35.368 1.00 23.18 O ATOM 669 CG2 THR A 87 20.280 17.372 37.208 1.00 19.36 C ATOM 0 H THR A 87 18.954 20.085 38.025 1.00 6.66 H new ATOM 0 HA THR A 87 17.298 18.300 36.742 1.00 3.76 H new ATOM 0 HB THR A 87 20.061 19.133 37.082 1.00 24.04 H new ATOM 0 HG1 THR A 87 20.059 18.700 34.991 1.00 23.18 H new ATOM 0 HG21 THR A 87 21.151 17.420 36.784 1.00 19.36 H new ATOM 0 HG22 THR A 87 20.386 17.436 38.170 1.00 19.36 H new ATOM 0 HG23 THR A 87 19.859 16.527 36.985 1.00 19.36 H new ATOM 670 N GLY A 88 17.387 16.303 38.128 1.00 5.25 N ATOM 671 CA GLY A 88 17.253 15.234 39.201 1.00 6.12 C ATOM 672 C GLY A 88 18.640 14.852 39.713 1.00 7.99 C ATOM 673 O GLY A 88 18.713 14.356 40.888 1.00 9.58 O ATOM 0 H GLY A 88 17.137 16.079 37.336 1.00 5.25 H new ATOM 0 HA2 GLY A 88 16.707 15.562 39.932 1.00 6.12 H new ATOM 0 HA3 GLY A 88 16.804 14.454 38.840 1.00 6.12 H new ATOM 674 N SER A 89 19.585 15.043 38.895 1.00 3.03 N ATOM 675 CA SER A 89 21.002 14.699 39.201 1.00 8.24 C ATOM 676 C SER A 89 21.739 15.730 40.019 1.00 5.88 C ATOM 677 O SER A 89 22.890 15.463 40.530 1.00 6.66 O ATOM 678 CB SER A 89 21.785 14.356 37.924 1.00 4.85 C ATOM 679 OG SER A 89 21.210 12.981 37.668 1.00 6.60 O ATOM 0 H SER A 89 19.471 15.382 38.113 1.00 3.03 H new ATOM 0 HA SER A 89 20.948 13.911 39.764 1.00 8.24 H new ATOM 0 HB2 SER A 89 21.613 14.977 37.199 1.00 4.85 H new ATOM 0 HB3 SER A 89 22.745 14.342 38.064 1.00 4.85 H new ATOM 0 HG SER A 89 21.556 12.657 36.975 1.00 6.60 H new ATOM 680 N SER A 90 21.193 16.914 40.173 1.00 4.34 N ATOM 681 CA SER A 90 21.901 18.021 40.888 1.00 6.63 C ATOM 682 C SER A 90 22.195 17.563 42.319 1.00 2.21 C ATOM 683 O SER A 90 21.265 17.181 42.984 1.00 5.52 O ATOM 684 CB SER A 90 21.015 19.243 40.888 1.00 2.76 C ATOM 685 OG SER A 90 21.723 20.388 41.399 1.00 4.87 O ATOM 0 H SER A 90 20.412 17.124 39.880 1.00 4.34 H new ATOM 0 HA SER A 90 22.737 18.242 40.448 1.00 6.63 H new ATOM 0 HB2 SER A 90 20.707 19.424 39.986 1.00 2.76 H new ATOM 0 HB3 SER A 90 20.227 19.077 41.429 1.00 2.76 H new ATOM 0 HG SER A 90 21.254 20.771 41.981 1.00 4.87 H new ATOM 686 N LYS A 91 23.494 17.754 42.626 1.00 6.01 N ATOM 687 CA LYS A 91 23.921 17.372 44.006 1.00 5.48 C ATOM 688 C LYS A 91 25.175 18.250 44.364 1.00 3.29 C ATOM 689 O LYS A 91 26.223 18.097 43.699 1.00 5.16 O ATOM 690 CB LYS A 91 24.304 15.921 44.108 1.00 5.30 C ATOM 691 CG LYS A 91 24.451 15.501 45.641 1.00 6.94 C ATOM 692 CD LYS A 91 24.967 14.088 45.692 1.00 14.34 C ATOM 693 CE LYS A 91 24.597 13.401 46.970 1.00 24.53 C ATOM 694 NZ LYS A 91 25.807 13.248 47.788 1.00 21.16 N ATOM 0 H LYS A 91 24.101 18.074 42.107 1.00 6.01 H new ATOM 0 HA LYS A 91 23.179 17.518 44.614 1.00 5.48 H new ATOM 0 HB2 LYS A 91 23.632 15.370 43.677 1.00 5.30 H new ATOM 0 HB3 LYS A 91 25.140 15.766 43.641 1.00 5.30 H new ATOM 0 HG2 LYS A 91 25.060 16.101 46.099 1.00 6.94 H new ATOM 0 HG3 LYS A 91 23.595 15.566 46.093 1.00 6.94 H new ATOM 0 HD2 LYS A 91 24.611 13.587 44.942 1.00 14.34 H new ATOM 0 HD3 LYS A 91 25.932 14.093 45.596 1.00 14.34 H new ATOM 0 HE2 LYS A 91 23.930 13.918 47.449 1.00 24.53 H new ATOM 0 HE3 LYS A 91 24.204 12.534 46.784 1.00 24.53 H new ATOM 0 HZ1 LYS A 91 25.600 12.840 48.552 1.00 21.16 H new ATOM 0 HZ2 LYS A 91 26.406 12.761 47.345 1.00 21.16 H new ATOM 0 HZ3 LYS A 91 26.150 14.050 47.964 1.00 21.16 H new ATOM 695 N TYR A 92 24.894 19.052 45.335 1.00 4.47 N ATOM 696 CA TYR A 92 25.956 20.006 45.846 1.00 3.30 C ATOM 697 C TYR A 92 27.284 19.243 46.050 1.00 10.65 C ATOM 698 O TYR A 92 27.269 18.135 46.612 1.00 8.98 O ATOM 699 CB TYR A 92 25.527 20.694 47.124 1.00 3.95 C ATOM 700 CG TYR A 92 26.471 21.763 47.635 1.00 5.70 C ATOM 701 CD1 TYR A 92 26.442 23.099 47.124 1.00 5.02 C ATOM 702 CD2 TYR A 92 27.533 21.419 48.452 1.00 9.33 C ATOM 703 CE1 TYR A 92 27.357 24.053 47.532 1.00 6.03 C ATOM 704 CE2 TYR A 92 28.448 22.335 48.861 1.00 4.70 C ATOM 705 CZ TYR A 92 28.375 23.672 48.401 1.00 6.61 C ATOM 706 OH TYR A 92 29.348 24.512 48.912 1.00 6.34 O ATOM 0 H TYR A 92 24.133 19.098 45.734 1.00 4.47 H new ATOM 0 HA TYR A 92 26.085 20.701 45.181 1.00 3.30 H new ATOM 0 HB2 TYR A 92 24.656 21.095 46.981 1.00 3.95 H new ATOM 0 HB3 TYR A 92 25.420 20.022 47.815 1.00 3.95 H new ATOM 0 HD1 TYR A 92 25.791 23.332 46.502 1.00 5.02 H new ATOM 0 HD2 TYR A 92 27.623 20.536 48.729 1.00 9.33 H new ATOM 0 HE1 TYR A 92 27.293 24.931 47.232 1.00 6.03 H new ATOM 0 HE2 TYR A 92 29.126 22.083 49.446 1.00 4.70 H new ATOM 0 HH TYR A 92 29.245 25.284 48.598 1.00 6.34 H new ATOM 707 N PRO A 93 28.377 19.815 45.641 1.00 7.44 N ATOM 708 CA PRO A 93 28.569 21.114 44.977 1.00 9.04 C ATOM 709 C PRO A 93 28.319 21.075 43.495 1.00 11.75 C ATOM 710 O PRO A 93 28.453 22.144 42.830 1.00 12.36 O ATOM 711 CB PRO A 93 30.030 21.495 45.335 1.00 8.40 C ATOM 712 CG PRO A 93 30.753 20.197 45.386 1.00 10.10 C ATOM 713 CD PRO A 93 29.735 19.128 45.744 1.00 9.20 C ATOM 0 HA PRO A 93 27.927 21.775 45.280 1.00 9.04 H new ATOM 0 HB2 PRO A 93 30.414 22.087 44.669 1.00 8.40 H new ATOM 0 HB3 PRO A 93 30.076 21.958 46.186 1.00 8.40 H new ATOM 0 HG2 PRO A 93 31.167 20.002 44.531 1.00 10.10 H new ATOM 0 HG3 PRO A 93 31.464 20.227 46.045 1.00 10.10 H new ATOM 0 HD2 PRO A 93 29.792 18.373 45.138 1.00 9.20 H new ATOM 0 HD3 PRO A 93 29.887 18.785 46.639 1.00 9.20 H new ATOM 714 N ASN A 94 28.010 19.892 42.933 1.00 9.24 N ATOM 715 CA ASN A 94 27.775 19.739 41.501 1.00 8.87 C ATOM 716 C ASN A 94 26.314 20.044 41.246 1.00 5.26 C ATOM 717 O ASN A 94 25.547 19.166 40.837 1.00 6.89 O ATOM 718 CB ASN A 94 28.233 18.365 41.144 1.00 9.99 C ATOM 719 CG ASN A 94 29.709 18.097 41.450 1.00 17.96 C ATOM 720 OD1 ASN A 94 30.521 18.937 40.990 1.00 16.49 O ATOM 721 ND2 ASN A 94 29.974 17.143 42.268 1.00 31.50 N ATOM 0 H ASN A 94 27.933 19.161 43.379 1.00 9.24 H new ATOM 0 HA ASN A 94 28.268 20.350 40.931 1.00 8.87 H new ATOM 0 HB2 ASN A 94 27.691 17.719 41.624 1.00 9.99 H new ATOM 0 HB3 ASN A 94 28.077 18.219 40.198 1.00 9.99 H new ATOM 0 HD21 ASN A 94 30.777 17.033 42.555 1.00 31.50 H new ATOM 0 HD22 ASN A 94 29.348 16.614 42.529 1.00 31.50 H new ATOM 722 N CYS A 95 26.004 21.343 41.297 1.00 3.67 N ATOM 723 CA CYS A 95 24.587 21.839 41.093 1.00 6.23 C ATOM 724 C CYS A 95 24.382 21.763 39.559 1.00 7.10 C ATOM 725 O CYS A 95 25.312 22.144 38.793 1.00 10.74 O ATOM 726 CB CYS A 95 24.498 23.290 41.604 1.00 4.01 C ATOM 727 SG CYS A 95 24.866 23.366 43.393 1.00 6.08 S ATOM 0 H CYS A 95 26.578 21.966 41.446 1.00 3.67 H new ATOM 0 HA CYS A 95 23.913 21.328 41.567 1.00 6.23 H new ATOM 0 HB2 CYS A 95 25.123 23.849 41.116 1.00 4.01 H new ATOM 0 HB3 CYS A 95 23.610 23.643 41.436 1.00 4.01 H new ATOM 728 N ALA A 96 23.157 21.304 39.201 1.00 4.34 N ATOM 729 CA ALA A 96 22.937 21.114 37.719 1.00 8.68 C ATOM 730 C ALA A 96 21.476 21.534 37.464 1.00 3.31 C ATOM 731 O ALA A 96 20.575 21.266 38.230 1.00 5.76 O ATOM 732 CB ALA A 96 23.232 19.663 37.413 1.00 9.22 C ATOM 0 H ALA A 96 22.502 21.113 39.724 1.00 4.34 H new ATOM 0 HA ALA A 96 23.509 21.643 37.141 1.00 8.68 H new ATOM 0 HB1 ALA A 96 23.102 19.499 36.466 1.00 9.22 H new ATOM 0 HB2 ALA A 96 24.150 19.462 37.652 1.00 9.22 H new ATOM 0 HB3 ALA A 96 22.634 19.096 37.924 1.00 9.22 H new ATOM 733 N TYR A 97 21.373 22.221 36.288 1.00 4.61 N ATOM 734 CA TYR A 97 20.104 22.793 35.879 1.00 2.67 C ATOM 735 C TYR A 97 19.692 22.526 34.448 1.00 0.77 C ATOM 736 O TYR A 97 20.460 22.450 33.528 1.00 3.65 O ATOM 737 CB TYR A 97 20.296 24.359 36.033 1.00 6.94 C ATOM 738 CG TYR A 97 20.575 24.741 37.515 1.00 0.98 C ATOM 739 CD1 TYR A 97 19.586 24.970 38.384 1.00 3.13 C ATOM 740 CD2 TYR A 97 21.933 24.817 37.924 1.00 3.34 C ATOM 741 CE1 TYR A 97 19.806 25.313 39.764 1.00 4.97 C ATOM 742 CE2 TYR A 97 22.227 25.122 39.253 1.00 4.18 C ATOM 743 CZ TYR A 97 21.164 25.390 40.173 1.00 3.02 C ATOM 744 OH TYR A 97 21.413 25.695 41.450 1.00 10.38 O ATOM 0 H TYR A 97 22.023 22.352 35.741 1.00 4.61 H new ATOM 0 HA TYR A 97 19.409 22.392 36.424 1.00 2.67 H new ATOM 0 HB2 TYR A 97 21.032 24.655 35.475 1.00 6.94 H new ATOM 0 HB3 TYR A 97 19.501 24.818 35.721 1.00 6.94 H new ATOM 0 HD1 TYR A 97 18.709 24.904 38.081 1.00 3.13 H new ATOM 0 HD2 TYR A 97 22.618 24.665 37.313 1.00 3.34 H new ATOM 0 HE1 TYR A 97 19.103 25.474 40.351 1.00 4.97 H new ATOM 0 HE2 TYR A 97 23.111 25.151 39.540 1.00 4.18 H new ATOM 0 HH TYR A 97 20.694 25.896 41.836 1.00 10.38 H new ATOM 745 N LYS A 98 18.364 22.526 34.346 1.00 4.26 N ATOM 746 CA LYS A 98 17.701 22.488 33.068 1.00 4.34 C ATOM 747 C LYS A 98 17.376 23.977 32.659 1.00 7.13 C ATOM 748 O LYS A 98 16.756 24.664 33.477 1.00 3.61 O ATOM 749 CB LYS A 98 16.431 21.686 33.170 1.00 8.64 C ATOM 750 CG LYS A 98 15.458 21.839 31.944 1.00 14.34 C ATOM 751 CD LYS A 98 16.005 21.190 30.768 1.00 13.93 C ATOM 752 CE LYS A 98 14.928 20.808 29.695 1.00 35.59 C ATOM 753 NZ LYS A 98 15.608 20.197 28.571 1.00 17.48 N ATOM 0 H LYS A 98 17.832 22.548 35.021 1.00 4.26 H new ATOM 0 HA LYS A 98 18.266 22.069 32.400 1.00 4.34 H new ATOM 0 HB2 LYS A 98 16.662 20.749 33.270 1.00 8.64 H new ATOM 0 HB3 LYS A 98 15.960 21.950 33.976 1.00 8.64 H new ATOM 0 HG2 LYS A 98 14.595 21.452 32.160 1.00 14.34 H new ATOM 0 HG3 LYS A 98 15.309 22.780 31.760 1.00 14.34 H new ATOM 0 HD2 LYS A 98 16.661 21.778 30.361 1.00 13.93 H new ATOM 0 HD3 LYS A 98 16.475 20.387 31.042 1.00 13.93 H new ATOM 0 HE2 LYS A 98 14.278 20.195 30.071 1.00 35.59 H new ATOM 0 HE3 LYS A 98 14.441 21.596 29.408 1.00 35.59 H new ATOM 0 HZ1 LYS A 98 15.012 19.972 27.949 1.00 17.48 H new ATOM 0 HZ2 LYS A 98 16.191 20.774 28.227 1.00 17.48 H new ATOM 0 HZ3 LYS A 98 16.039 19.468 28.845 1.00 17.48 H new ATOM 754 N THR A 99 17.805 24.359 31.484 1.00 5.42 N ATOM 755 CA THR A 99 17.569 25.695 30.973 1.00 2.73 C ATOM 756 C THR A 99 16.316 25.657 30.002 1.00 9.34 C ATOM 757 O THR A 99 16.183 24.817 29.133 1.00 7.68 O ATOM 758 CB THR A 99 18.751 26.115 30.053 1.00 8.66 C ATOM 759 OG1 THR A 99 19.916 26.001 30.819 1.00 4.75 O ATOM 760 CG2 THR A 99 18.574 27.528 29.542 1.00 5.85 C ATOM 0 H THR A 99 18.247 23.851 30.949 1.00 5.42 H new ATOM 0 HA THR A 99 17.452 26.294 31.727 1.00 2.73 H new ATOM 0 HB THR A 99 18.794 25.545 29.269 1.00 8.66 H new ATOM 0 HG1 THR A 99 20.433 25.444 30.461 1.00 4.75 H new ATOM 0 HG21 THR A 99 19.323 27.763 28.973 1.00 5.85 H new ATOM 0 HG22 THR A 99 17.751 27.587 29.033 1.00 5.85 H new ATOM 0 HG23 THR A 99 18.534 28.141 30.293 1.00 5.85 H new ATOM 761 N THR A 100 15.430 26.573 30.308 1.00 3.93 N ATOM 762 CA THR A 100 14.205 26.688 29.439 1.00 6.42 C ATOM 763 C THR A 100 14.029 28.177 29.031 1.00 10.81 C ATOM 764 O THR A 100 14.013 29.055 29.899 1.00 9.34 O ATOM 765 CB THR A 100 12.980 26.153 30.206 1.00 11.66 C ATOM 766 OG1 THR A 100 13.260 24.817 30.564 1.00 17.66 O ATOM 767 CG2 THR A 100 11.755 26.153 29.235 1.00 12.01 C ATOM 0 H THR A 100 15.481 27.123 30.967 1.00 3.93 H new ATOM 0 HA THR A 100 14.299 26.157 28.633 1.00 6.42 H new ATOM 0 HB THR A 100 12.791 26.695 30.988 1.00 11.66 H new ATOM 0 HG1 THR A 100 12.608 24.497 30.986 1.00 17.66 H new ATOM 0 HG21 THR A 100 10.973 25.819 29.701 1.00 12.01 H new ATOM 0 HG22 THR A 100 11.586 27.057 28.927 1.00 12.01 H new ATOM 0 HG23 THR A 100 11.945 25.583 28.474 1.00 12.01 H new ATOM 768 N GLN A 101 13.867 28.444 27.753 1.00 10.84 N ATOM 769 CA GLN A 101 13.676 29.819 27.293 1.00 6.41 C ATOM 770 C GLN A 101 12.185 30.162 27.344 1.00 17.07 C ATOM 771 O GLN A 101 11.329 29.284 27.037 1.00 14.96 O ATOM 772 CB GLN A 101 14.238 29.971 25.862 1.00 12.16 C ATOM 773 CG GLN A 101 15.419 29.208 25.453 1.00 24.11 C ATOM 774 CD GLN A 101 16.114 29.513 24.175 1.00 56.65 C ATOM 775 OE1 GLN A 101 17.014 30.353 24.124 1.00 20.44 O ATOM 776 NE2 GLN A 101 15.716 28.826 23.102 1.00 29.00 N ATOM 0 H GLN A 101 13.863 27.851 27.130 1.00 10.84 H new ATOM 0 HA GLN A 101 14.154 30.435 27.870 1.00 6.41 H new ATOM 0 HB2 GLN A 101 13.523 29.747 25.246 1.00 12.16 H new ATOM 0 HB3 GLN A 101 14.442 30.910 25.731 1.00 12.16 H new ATOM 0 HG2 GLN A 101 16.075 29.295 26.162 1.00 24.11 H new ATOM 0 HG3 GLN A 101 15.158 28.274 25.420 1.00 24.11 H new ATOM 0 HE21 GLN A 101 15.084 28.247 23.172 1.00 29.00 H new ATOM 0 HE22 GLN A 101 16.091 28.963 22.340 1.00 29.00 H new ATOM 777 N ALA A 102 11.830 31.422 27.548 1.00 9.81 N ATOM 778 CA ALA A 102 10.413 31.804 27.548 1.00 8.14 C ATOM 779 C ALA A 102 10.310 33.331 27.293 1.00 6.08 C ATOM 780 O ALA A 102 11.270 34.018 27.446 1.00 7.11 O ATOM 781 CB ALA A 102 9.719 31.422 28.826 1.00 14.82 C ATOM 0 H ALA A 102 12.381 32.068 27.687 1.00 9.81 H new ATOM 0 HA ALA A 102 9.961 31.319 26.840 1.00 8.14 H new ATOM 0 HB1 ALA A 102 8.788 31.692 28.782 1.00 14.82 H new ATOM 0 HB2 ALA A 102 9.771 30.461 28.948 1.00 14.82 H new ATOM 0 HB3 ALA A 102 10.149 31.866 29.573 1.00 14.82 H new ATOM 782 N ASN A 103 9.115 33.789 26.935 1.00 9.87 N ATOM 783 CA ASN A 103 8.864 35.202 26.680 1.00 7.05 C ATOM 784 C ASN A 103 7.594 35.431 27.497 1.00 9.26 C ATOM 785 O ASN A 103 6.488 35.011 27.037 1.00 10.55 O ATOM 786 CB ASN A 103 8.688 35.584 25.248 1.00 7.46 C ATOM 787 CG ASN A 103 10.032 35.660 24.482 1.00 22.90 C ATOM 788 OD1 ASN A 103 10.490 34.591 24.022 1.00 37.44 O ATOM 789 ND2 ASN A 103 10.593 36.844 24.482 1.00 16.13 N ATOM 0 H ASN A 103 8.425 33.287 26.833 1.00 9.87 H new ATOM 0 HA ASN A 103 9.624 35.753 26.924 1.00 7.05 H new ATOM 0 HB2 ASN A 103 8.108 34.939 24.814 1.00 7.46 H new ATOM 0 HB3 ASN A 103 8.242 36.444 25.199 1.00 7.46 H new ATOM 0 HD21 ASN A 103 11.372 36.951 24.134 1.00 16.13 H new ATOM 0 HD22 ASN A 103 10.182 37.515 24.830 1.00 16.13 H new ATOM 790 N LYS A 104 7.697 36.004 28.673 1.00 4.55 N ATOM 791 CA LYS A 104 6.633 36.195 29.593 1.00 4.83 C ATOM 792 C LYS A 104 6.692 37.531 30.308 1.00 5.34 C ATOM 793 O LYS A 104 7.696 38.218 30.206 1.00 6.86 O ATOM 794 CB LYS A 104 6.824 35.126 30.768 1.00 10.34 C ATOM 795 CG LYS A 104 6.854 33.751 30.155 1.00 11.14 C ATOM 796 CD LYS A 104 6.189 32.682 30.922 1.00 16.41 C ATOM 797 CE LYS A 104 6.941 31.842 31.893 1.00 53.27 C ATOM 798 NZ LYS A 104 6.336 30.506 31.944 1.00 33.13 N ATOM 0 H LYS A 104 8.446 36.309 28.966 1.00 4.55 H new ATOM 0 HA LYS A 104 5.809 36.124 29.087 1.00 4.83 H new ATOM 0 HB2 LYS A 104 7.647 35.299 31.251 1.00 10.34 H new ATOM 0 HB3 LYS A 104 6.099 35.195 31.409 1.00 10.34 H new ATOM 0 HG2 LYS A 104 6.442 33.799 29.278 1.00 11.14 H new ATOM 0 HG3 LYS A 104 7.780 33.498 30.019 1.00 11.14 H new ATOM 0 HD2 LYS A 104 5.461 33.096 31.411 1.00 16.41 H new ATOM 0 HD3 LYS A 104 5.789 32.078 30.277 1.00 16.41 H new ATOM 0 HE2 LYS A 104 7.872 31.778 31.629 1.00 53.27 H new ATOM 0 HE3 LYS A 104 6.924 32.251 32.772 1.00 53.27 H new ATOM 0 HZ1 LYS A 104 6.783 30.000 32.524 1.00 33.13 H new ATOM 0 HZ2 LYS A 104 5.487 30.574 32.202 1.00 33.13 H new ATOM 0 HZ3 LYS A 104 6.371 30.133 31.137 1.00 33.13 H new ATOM 799 N HIS A 105 5.570 37.836 30.922 1.00 5.96 N ATOM 800 CA HIS A 105 5.554 39.020 31.791 1.00 4.61 C ATOM 801 C HIS A 105 6.276 38.638 33.068 1.00 12.84 C ATOM 802 O HIS A 105 6.202 37.455 33.528 1.00 6.66 O ATOM 803 CB HIS A 105 4.137 39.478 32.097 1.00 7.39 C ATOM 804 CG HIS A 105 3.444 39.898 30.819 1.00 8.53 C ATOM 805 ND1 HIS A 105 2.736 38.982 30.104 1.00 19.55 N ATOM 806 CD2 HIS A 105 3.371 41.158 30.257 1.00 7.75 C ATOM 807 CE1 HIS A 105 2.250 39.707 29.031 1.00 10.54 C ATOM 808 NE2 HIS A 105 2.545 40.967 29.133 1.00 13.33 N ATOM 0 H HIS A 105 4.831 37.401 30.863 1.00 5.96 H new ATOM 0 HA HIS A 105 5.991 39.763 31.347 1.00 4.61 H new ATOM 0 HB2 HIS A 105 3.642 38.761 32.522 1.00 7.39 H new ATOM 0 HB3 HIS A 105 4.156 40.219 32.723 1.00 7.39 H new ATOM 0 HD2 HIS A 105 3.772 41.944 30.551 1.00 7.75 H new ATOM 0 HE1 HIS A 105 1.771 39.338 28.324 1.00 10.54 H new ATOM 0 HE2 HIS A 105 2.278 41.586 28.599 1.00 13.33 H new ATOM 809 N ILE A 106 6.940 39.631 33.733 1.00 4.48 N ATOM 810 CA ILE A 106 7.633 39.364 35.010 1.00 3.30 C ATOM 811 C ILE A 106 6.850 40.165 36.084 1.00 5.43 C ATOM 812 O ILE A 106 6.156 41.120 35.930 1.00 4.69 O ATOM 813 CB ILE A 106 9.094 39.707 34.959 1.00 1.36 C ATOM 814 CG1 ILE A 106 9.286 41.234 34.806 1.00 6.19 C ATOM 815 CG2 ILE A 106 9.833 38.982 33.835 1.00 3.70 C ATOM 816 CD1 ILE A 106 10.762 41.693 35.215 1.00 12.47 C ATOM 0 H ILE A 106 6.994 40.444 33.459 1.00 4.48 H new ATOM 0 HA ILE A 106 7.634 38.417 35.221 1.00 3.30 H new ATOM 0 HB ILE A 106 9.477 39.409 35.799 1.00 1.36 H new ATOM 0 HG12 ILE A 106 9.111 41.491 33.887 1.00 6.19 H new ATOM 0 HG13 ILE A 106 8.638 41.698 35.359 1.00 6.19 H new ATOM 0 HG21 ILE A 106 10.769 39.237 33.846 1.00 3.70 H new ATOM 0 HG22 ILE A 106 9.758 38.024 33.964 1.00 3.70 H new ATOM 0 HG23 ILE A 106 9.442 39.225 32.981 1.00 3.70 H new ATOM 0 HD11 ILE A 106 10.844 42.653 35.106 1.00 12.47 H new ATOM 0 HD12 ILE A 106 10.930 41.457 36.141 1.00 12.47 H new ATOM 0 HD13 ILE A 106 11.409 41.247 34.646 1.00 12.47 H new ATOM 817 N ILE A 107 6.937 39.593 37.310 1.00 4.47 N ATOM 818 CA ILE A 107 6.331 40.165 38.486 1.00 1.94 C ATOM 819 C ILE A 107 7.541 40.280 39.508 1.00 6.26 C ATOM 820 O ILE A 107 8.131 39.287 39.815 1.00 6.15 O ATOM 821 CB ILE A 107 5.238 39.325 39.099 1.00 0.95 C ATOM 822 CG1 ILE A 107 4.103 39.211 38.026 1.00 5.42 C ATOM 823 CG2 ILE A 107 4.691 39.936 40.377 1.00 5.95 C ATOM 824 CD1 ILE A 107 2.921 38.409 38.537 1.00 5.37 C ATOM 0 H ILE A 107 7.357 38.858 37.459 1.00 4.47 H new ATOM 0 HA ILE A 107 5.896 41.003 38.264 1.00 1.94 H new ATOM 0 HB ILE A 107 5.592 38.456 39.344 1.00 0.95 H new ATOM 0 HG12 ILE A 107 3.806 40.099 37.774 1.00 5.42 H new ATOM 0 HG13 ILE A 107 4.456 38.792 37.225 1.00 5.42 H new ATOM 0 HG21 ILE A 107 3.993 39.366 40.736 1.00 5.95 H new ATOM 0 HG22 ILE A 107 5.406 40.020 41.027 1.00 5.95 H new ATOM 0 HG23 ILE A 107 4.324 40.813 40.185 1.00 5.95 H new ATOM 0 HD11 ILE A 107 2.241 38.360 37.847 1.00 5.37 H new ATOM 0 HD12 ILE A 107 3.213 37.513 38.767 1.00 5.37 H new ATOM 0 HD13 ILE A 107 2.553 38.840 39.324 1.00 5.37 H new ATOM 825 N VAL A 108 7.747 41.540 39.917 1.00 5.94 N ATOM 826 CA VAL A 108 8.824 41.845 40.888 1.00 7.73 C ATOM 827 C VAL A 108 8.262 42.647 42.013 1.00 5.00 C ATOM 828 O VAL A 108 7.288 43.372 41.808 1.00 5.42 O ATOM 829 CB VAL A 108 9.916 42.609 40.173 1.00 3.62 C ATOM 830 CG1 VAL A 108 10.626 41.883 38.946 1.00 3.43 C ATOM 831 CG2 VAL A 108 9.356 43.945 39.559 1.00 2.07 C ATOM 0 H VAL A 108 7.290 42.220 39.655 1.00 5.94 H new ATOM 0 HA VAL A 108 9.197 41.027 41.253 1.00 7.73 H new ATOM 0 HB VAL A 108 10.568 42.724 40.882 1.00 3.62 H new ATOM 0 HG11 VAL A 108 11.303 42.468 38.572 1.00 3.43 H new ATOM 0 HG12 VAL A 108 11.042 41.062 39.252 1.00 3.43 H new ATOM 0 HG13 VAL A 108 9.966 41.677 38.266 1.00 3.43 H new ATOM 0 HG21 VAL A 108 10.072 44.418 39.106 1.00 2.07 H new ATOM 0 HG22 VAL A 108 8.652 43.739 38.924 1.00 2.07 H new ATOM 0 HG23 VAL A 108 8.999 44.502 40.268 1.00 2.07 H new ATOM 832 N ALA A 109 9.028 42.533 43.137 1.00 2.17 N ATOM 833 CA ALA A 109 8.718 43.372 44.313 1.00 5.15 C ATOM 834 C ALA A 109 9.780 44.480 44.313 1.00 4.47 C ATOM 835 O ALA A 109 10.932 44.212 44.006 1.00 3.67 O ATOM 836 CB ALA A 109 8.908 42.571 45.590 1.00 5.84 C ATOM 0 H ALA A 109 9.697 42.000 43.228 1.00 2.17 H new ATOM 0 HA ALA A 109 7.807 43.703 44.273 1.00 5.15 H new ATOM 0 HB1 ALA A 109 8.702 43.129 46.356 1.00 5.84 H new ATOM 0 HB2 ALA A 109 8.315 41.803 45.582 1.00 5.84 H new ATOM 0 HB3 ALA A 109 9.828 42.268 45.649 1.00 5.84 H new ATOM 837 N CYS A 110 9.293 45.701 44.670 1.00 4.56 N ATOM 838 CA CYS A 110 10.119 46.847 44.670 1.00 2.64 C ATOM 839 C CYS A 110 10.133 47.572 46.050 1.00 3.83 C ATOM 840 O CYS A 110 9.203 47.496 46.817 1.00 7.12 O ATOM 841 CB CYS A 110 9.530 47.878 43.648 1.00 6.75 C ATOM 842 SG CYS A 110 9.472 47.076 42.013 1.00 5.38 S ATOM 0 H CYS A 110 8.480 45.846 44.910 1.00 4.56 H new ATOM 0 HA CYS A 110 11.017 46.553 44.450 1.00 2.64 H new ATOM 0 HB2 CYS A 110 8.642 48.157 43.921 1.00 6.75 H new ATOM 0 HB3 CYS A 110 10.081 48.676 43.615 1.00 6.75 H new ATOM 843 N GLU A 111 11.329 48.183 46.204 1.00 6.33 N ATOM 844 CA GLU A 111 11.534 48.947 47.430 1.00 7.00 C ATOM 845 C GLU A 111 12.597 50.054 47.226 1.00 4.00 C ATOM 846 O GLU A 111 13.336 49.939 46.306 1.00 4.23 O ATOM 847 CB GLU A 111 12.153 48.107 48.555 1.00 5.32 C ATOM 848 CG GLU A 111 11.415 46.847 48.964 1.00 10.26 C ATOM 849 CD GLU A 111 12.137 46.045 50.037 1.00 19.87 C ATOM 850 OE1 GLU A 111 13.318 46.541 50.344 1.00 35.99 O ATOM 851 OE2 GLU A 111 11.576 45.091 50.548 1.00 16.11 O ATOM 0 H GLU A 111 11.985 48.166 45.648 1.00 6.33 H new ATOM 0 HA GLU A 111 10.650 49.279 47.652 1.00 7.00 H new ATOM 0 HB2 GLU A 111 13.050 47.856 48.284 1.00 5.32 H new ATOM 0 HB3 GLU A 111 12.241 48.672 49.339 1.00 5.32 H new ATOM 0 HG2 GLU A 111 10.533 47.088 49.288 1.00 10.26 H new ATOM 0 HG3 GLU A 111 11.287 46.287 48.182 1.00 10.26 H new ATOM 852 N GLY A 112 12.493 51.008 48.095 1.00 7.44 N ATOM 853 CA GLY A 112 13.482 52.078 48.146 1.00 9.23 C ATOM 854 C GLY A 112 13.143 53.299 47.379 1.00 8.16 C ATOM 855 O GLY A 112 12.066 53.490 46.817 1.00 9.78 O ATOM 0 H GLY A 112 11.861 51.071 48.675 1.00 7.44 H new ATOM 0 HA2 GLY A 112 13.619 52.326 49.074 1.00 9.23 H new ATOM 0 HA3 GLY A 112 14.326 51.732 47.817 1.00 9.23 H new ATOM 856 N ASN A 113 14.191 54.177 47.328 1.00 7.84 N ATOM 857 CA ASN A 113 14.192 55.437 46.612 1.00 6.91 C ATOM 858 C ASN A 113 15.624 55.628 46.152 1.00 18.91 C ATOM 859 O ASN A 113 16.509 55.934 46.970 1.00 18.64 O ATOM 860 CB ASN A 113 13.630 56.583 47.430 1.00 12.94 C ATOM 861 CG ASN A 113 14.044 57.919 46.817 1.00 30.57 C ATOM 862 OD1 ASN A 113 14.870 58.683 47.430 1.00 42.02 O ATOM 863 ND2 ASN A 113 13.528 58.148 45.641 1.00 22.62 N ATOM 0 H ASN A 113 14.934 54.025 47.733 1.00 7.84 H new ATOM 0 HA ASN A 113 13.593 55.424 45.849 1.00 6.91 H new ATOM 0 HB2 ASN A 113 12.663 56.521 47.464 1.00 12.94 H new ATOM 0 HB3 ASN A 113 13.951 56.525 48.344 1.00 12.94 H new ATOM 0 HD21 ASN A 113 13.738 58.863 45.211 1.00 22.62 H new ATOM 0 HD22 ASN A 113 12.978 57.584 45.295 1.00 22.62 H new ATOM 864 N PRO A 114 15.905 55.399 44.875 1.00 8.57 N ATOM 865 CA PRO A 114 14.947 55.017 43.801 1.00 4.76 C ATOM 866 C PRO A 114 14.194 53.681 44.159 1.00 5.61 C ATOM 867 O PRO A 114 14.725 52.803 44.773 1.00 9.87 O ATOM 868 CB PRO A 114 15.730 54.979 42.524 1.00 8.27 C ATOM 869 CG PRO A 114 17.117 55.590 42.830 1.00 13.40 C ATOM 870 CD PRO A 114 17.278 55.514 44.313 1.00 10.79 C ATOM 0 HA PRO A 114 14.229 55.661 43.700 1.00 4.76 H new ATOM 0 HB2 PRO A 114 15.819 54.068 42.202 1.00 8.27 H new ATOM 0 HB3 PRO A 114 15.278 55.483 41.829 1.00 8.27 H new ATOM 0 HG2 PRO A 114 17.821 55.099 42.378 1.00 13.40 H new ATOM 0 HG3 PRO A 114 17.168 56.508 42.521 1.00 13.40 H new ATOM 0 HD2 PRO A 114 17.820 54.750 44.564 1.00 10.79 H new ATOM 0 HD3 PRO A 114 17.727 56.304 44.654 1.00 10.79 H new ATOM 871 N TYR A 115 12.969 53.605 43.597 1.00 4.78 N ATOM 872 CA TYR A 115 12.068 52.421 43.853 1.00 4.13 C ATOM 873 C TYR A 115 12.468 51.390 42.779 1.00 8.00 C ATOM 874 O TYR A 115 12.159 51.581 41.604 1.00 7.00 O ATOM 875 CB TYR A 115 10.652 52.917 43.648 1.00 10.87 C ATOM 876 CG TYR A 115 9.574 52.001 44.210 1.00 5.29 C ATOM 877 CD1 TYR A 115 9.617 51.543 45.488 1.00 5.06 C ATOM 878 CD2 TYR A 115 8.453 51.658 43.393 1.00 1.45 C ATOM 879 CE1 TYR A 115 8.628 50.741 46.050 1.00 5.61 C ATOM 880 CE2 TYR A 115 7.434 50.894 43.955 1.00 3.16 C ATOM 881 CZ TYR A 115 7.477 50.474 45.232 1.00 8.76 C ATOM 882 OH TYR A 115 6.517 49.710 45.795 1.00 9.38 O ATOM 0 H TYR A 115 12.637 54.204 43.077 1.00 4.78 H new ATOM 0 HA TYR A 115 12.138 52.030 44.738 1.00 4.13 H new ATOM 0 HB2 TYR A 115 10.565 53.791 44.060 1.00 10.87 H new ATOM 0 HB3 TYR A 115 10.497 53.035 42.698 1.00 10.87 H new ATOM 0 HD1 TYR A 115 10.346 51.778 46.016 1.00 5.06 H new ATOM 0 HD2 TYR A 115 8.405 51.938 42.508 1.00 1.45 H new ATOM 0 HE1 TYR A 115 8.708 50.396 46.910 1.00 5.61 H new ATOM 0 HE2 TYR A 115 6.700 50.667 43.431 1.00 3.16 H new ATOM 0 HH TYR A 115 5.847 49.683 45.289 1.00 9.38 H new ATOM 883 N VAL A 116 13.132 50.321 43.239 1.00 3.77 N ATOM 884 CA VAL A 116 13.649 49.367 42.268 1.00 1.32 C ATOM 885 C VAL A 116 13.383 47.954 42.779 1.00 2.22 C ATOM 886 O VAL A 116 12.925 47.763 43.853 1.00 2.52 O ATOM 887 CB VAL A 116 15.140 49.672 42.115 1.00 7.90 C ATOM 888 CG1 VAL A 116 15.509 51.008 41.450 1.00 5.37 C ATOM 889 CG2 VAL A 116 15.877 49.596 43.444 1.00 6.87 C ATOM 0 H VAL A 116 13.285 50.141 44.066 1.00 3.77 H new ATOM 0 HA VAL A 116 13.220 49.436 41.401 1.00 1.32 H new ATOM 0 HB VAL A 116 15.422 48.973 41.505 1.00 7.90 H new ATOM 0 HG11 VAL A 116 16.474 51.093 41.407 1.00 5.37 H new ATOM 0 HG12 VAL A 116 15.142 51.035 40.552 1.00 5.37 H new ATOM 0 HG13 VAL A 116 15.144 51.741 41.970 1.00 5.37 H new ATOM 0 HG21 VAL A 116 16.816 49.795 43.305 1.00 6.87 H new ATOM 0 HG22 VAL A 116 15.498 50.241 44.062 1.00 6.87 H new ATOM 0 HG23 VAL A 116 15.787 48.704 43.813 1.00 6.87 H new ATOM 890 N PRO A 117 13.576 47.038 41.808 1.00 2.64 N ATOM 891 CA PRO A 117 13.280 45.625 42.115 1.00 6.64 C ATOM 892 C PRO A 117 14.298 45.129 43.188 1.00 7.74 C ATOM 893 O PRO A 117 15.493 45.281 43.035 1.00 6.49 O ATOM 894 CB PRO A 117 13.473 44.823 40.837 1.00 0.50 C ATOM 895 CG PRO A 117 13.193 45.969 39.764 1.00 8.20 C ATOM 896 CD PRO A 117 13.975 47.190 40.428 1.00 2.71 C ATOM 0 HA PRO A 117 12.375 45.521 42.448 1.00 6.64 H new ATOM 0 HB2 PRO A 117 14.366 44.451 40.761 1.00 0.50 H new ATOM 0 HB3 PRO A 117 12.850 44.083 40.763 1.00 0.50 H new ATOM 0 HG2 PRO A 117 13.538 45.744 38.886 1.00 8.20 H new ATOM 0 HG3 PRO A 117 12.246 46.152 39.658 1.00 8.20 H new ATOM 0 HD2 PRO A 117 14.935 47.120 40.312 1.00 2.71 H new ATOM 0 HD3 PRO A 117 13.706 48.045 40.058 1.00 2.71 H new ATOM 897 N VAL A 118 13.692 44.327 44.057 1.00 2.94 N ATOM 898 CA VAL A 118 14.488 43.640 45.079 1.00 3.69 C ATOM 899 C VAL A 118 14.163 42.151 45.181 1.00 14.06 C ATOM 900 O VAL A 118 14.916 41.425 45.846 1.00 11.65 O ATOM 901 CB VAL A 118 14.266 44.327 46.459 1.00 12.70 C ATOM 902 CG1 VAL A 118 14.812 45.778 46.510 1.00 8.71 C ATOM 903 CG2 VAL A 118 12.834 44.251 46.919 1.00 10.32 C ATOM 0 H VAL A 118 12.847 44.167 44.077 1.00 2.94 H new ATOM 0 HA VAL A 118 15.419 43.708 44.814 1.00 3.69 H new ATOM 0 HB VAL A 118 14.793 43.814 47.092 1.00 12.70 H new ATOM 0 HG11 VAL A 118 14.647 46.155 47.388 1.00 8.71 H new ATOM 0 HG12 VAL A 118 15.766 45.771 46.335 1.00 8.71 H new ATOM 0 HG13 VAL A 118 14.364 46.316 45.838 1.00 8.71 H new ATOM 0 HG21 VAL A 118 12.746 44.691 47.779 1.00 10.32 H new ATOM 0 HG22 VAL A 118 12.262 44.692 46.271 1.00 10.32 H new ATOM 0 HG23 VAL A 118 12.570 43.321 47.003 1.00 10.32 H new ATOM 904 N HIS A 119 13.131 41.731 44.466 1.00 4.66 N ATOM 905 CA HIS A 119 12.806 40.280 44.466 1.00 5.22 C ATOM 906 C HIS A 119 12.113 39.936 43.188 1.00 6.02 C ATOM 907 O HIS A 119 11.302 40.738 42.728 1.00 5.21 O ATOM 908 CB HIS A 119 11.905 40.051 45.641 1.00 8.31 C ATOM 909 CG HIS A 119 11.108 38.829 45.641 1.00 14.23 C ATOM 910 ND1 HIS A 119 11.668 37.607 45.948 1.00 14.21 N ATOM 911 CD2 HIS A 119 9.765 38.676 45.386 1.00 14.04 C ATOM 912 CE1 HIS A 119 10.679 36.729 45.795 1.00 12.84 C ATOM 913 NE2 HIS A 119 9.528 37.302 45.488 1.00 21.99 N ATOM 0 H HIS A 119 12.618 42.230 43.989 1.00 4.66 H new ATOM 0 HA HIS A 119 13.599 39.725 44.533 1.00 5.22 H new ATOM 0 HB2 HIS A 119 12.450 40.054 46.443 1.00 8.31 H new ATOM 0 HB3 HIS A 119 11.299 40.805 45.707 1.00 8.31 H new ATOM 0 HD2 HIS A 119 9.148 39.343 45.188 1.00 14.04 H new ATOM 0 HE1 HIS A 119 10.786 35.811 45.894 1.00 12.84 H new ATOM 0 HE2 HIS A 119 8.774 36.904 45.373 1.00 21.99 H new ATOM 914 N PHE A 120 12.483 38.791 42.626 1.00 3.00 N ATOM 915 CA PHE A 120 11.819 38.256 41.450 1.00 6.70 C ATOM 916 C PHE A 120 10.697 37.340 41.961 1.00 8.15 C ATOM 917 O PHE A 120 11.036 36.309 42.524 1.00 4.31 O ATOM 918 CB PHE A 120 12.839 37.493 40.581 1.00 5.88 C ATOM 919 CG PHE A 120 12.161 37.149 39.253 1.00 10.11 C ATOM 920 CD1 PHE A 120 11.452 36.004 39.150 1.00 4.27 C ATOM 921 CD2 PHE A 120 12.294 38.027 38.179 1.00 8.40 C ATOM 922 CE1 PHE A 120 10.804 35.660 37.924 1.00 7.83 C ATOM 923 CE2 PHE A 120 11.705 37.722 36.953 1.00 16.72 C ATOM 924 CZ PHE A 120 10.967 36.538 36.850 1.00 9.12 C ATOM 0 H PHE A 120 13.128 38.303 42.918 1.00 3.00 H new ATOM 0 HA PHE A 120 11.444 38.954 40.891 1.00 6.70 H new ATOM 0 HB2 PHE A 120 13.628 38.036 40.429 1.00 5.88 H new ATOM 0 HB3 PHE A 120 13.132 36.686 41.032 1.00 5.88 H new ATOM 0 HD1 PHE A 120 11.385 35.435 39.883 1.00 4.27 H new ATOM 0 HD2 PHE A 120 12.776 38.816 38.280 1.00 8.40 H new ATOM 0 HE1 PHE A 120 10.296 34.885 37.845 1.00 7.83 H new ATOM 0 HE2 PHE A 120 11.800 38.290 36.223 1.00 16.72 H new ATOM 0 HZ PHE A 120 10.570 36.328 36.036 1.00 9.12 H new ATOM 925 N ASP A 121 9.428 37.684 41.757 1.00 6.79 N ATOM 926 CA ASP A 121 8.321 36.882 42.319 1.00 1.90 C ATOM 927 C ASP A 121 7.864 35.775 41.348 1.00 6.91 C ATOM 928 O ASP A 121 7.583 34.706 41.808 1.00 8.48 O ATOM 929 CB ASP A 121 7.184 37.875 42.677 1.00 4.05 C ATOM 930 CG ASP A 121 6.297 37.225 43.699 1.00 10.62 C ATOM 931 OD1 ASP A 121 6.887 36.767 44.721 1.00 9.80 O ATOM 932 OD2 ASP A 121 5.043 37.149 43.546 1.00 6.47 O ATOM 0 H ASP A 121 9.180 38.370 41.302 1.00 6.79 H new ATOM 0 HA ASP A 121 8.607 36.407 43.115 1.00 1.90 H new ATOM 0 HB2 ASP A 121 7.554 38.701 43.027 1.00 4.05 H new ATOM 0 HB3 ASP A 121 6.674 38.105 41.885 1.00 4.05 H new ATOM 933 N ALA A 122 7.702 36.080 40.070 1.00 5.73 N ATOM 934 CA ALA A 122 7.187 35.087 39.099 1.00 6.52 C ATOM 935 C ALA A 122 7.217 35.546 37.668 1.00 1.67 C ATOM 936 O ALA A 122 7.350 36.806 37.413 1.00 4.00 O ATOM 937 CB ALA A 122 5.666 34.858 39.355 1.00 6.17 C ATOM 0 H ALA A 122 7.880 36.851 39.732 1.00 5.73 H new ATOM 0 HA ALA A 122 7.756 34.311 39.223 1.00 6.52 H new ATOM 0 HB1 ALA A 122 5.325 34.208 38.721 1.00 6.17 H new ATOM 0 HB2 ALA A 122 5.536 34.527 40.258 1.00 6.17 H new ATOM 0 HB3 ALA A 122 5.190 35.696 39.246 1.00 6.17 H new ATOM 938 N SER A 123 7.100 34.667 36.748 1.00 7.39 N ATOM 939 CA SER A 123 6.953 34.935 35.317 1.00 7.55 C ATOM 940 C SER A 123 5.507 34.438 35.010 1.00 7.24 C ATOM 941 O SER A 123 5.153 33.369 35.522 1.00 7.15 O ATOM 942 CB SER A 123 8.017 34.324 34.397 1.00 7.29 C ATOM 943 OG SER A 123 7.913 32.873 34.653 1.00 11.08 O ATOM 0 H SER A 123 7.101 33.825 36.924 1.00 7.39 H new ATOM 0 HA SER A 123 7.092 35.876 35.128 1.00 7.55 H new ATOM 0 HB2 SER A 123 7.846 34.534 33.466 1.00 7.29 H new ATOM 0 HB3 SER A 123 8.903 34.660 34.605 1.00 7.29 H new ATOM 0 HG SER A 123 8.472 32.464 34.178 1.00 11.08 H new ATOM 944 N VAL A 124 4.785 35.240 34.244 1.00 6.57 N ATOM 945 CA VAL A 124 3.412 34.858 33.886 1.00 6.08 C ATOM 946 C VAL A 124 3.089 35.240 32.455 1.00 7.77 C ATOM 947 O VAL A 124 2.041 34.553 31.995 1.00 14.76 O ATOM 948 CB VAL A 124 2.452 35.469 34.857 1.00 11.14 C ATOM 949 CG1 VAL A 124 2.613 35.164 36.339 1.00 6.44 C ATOM 950 CG2 VAL A 124 2.423 36.996 34.653 1.00 13.77 C ATOM 951 OXT VAL A 124 3.768 35.775 31.637 1.00 8.04 O ATOM 0 H VAL A 124 5.054 35.992 33.924 1.00 6.57 H new ATOM 0 HA VAL A 124 3.329 33.893 33.940 1.00 6.08 H new ATOM 0 HB VAL A 124 1.616 35.030 34.636 1.00 11.14 H new ATOM 0 HG11 VAL A 124 1.924 35.626 36.841 1.00 6.44 H new ATOM 0 HG12 VAL A 124 2.532 34.208 36.484 1.00 6.44 H new ATOM 0 HG13 VAL A 124 3.486 35.463 36.638 1.00 6.44 H new ATOM 0 HG21 VAL A 124 1.801 37.395 35.282 1.00 13.77 H new ATOM 0 HG22 VAL A 124 3.310 37.359 34.802 1.00 13.77 H new ATOM 0 HG23 VAL A 124 2.140 37.196 33.747 1.00 13.77 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