USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE (NUCLEIC ACID,RNA) 13-AUG-91 5RAT 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 4 29-SEP-09 5RAT 1 REMARK REVDAT 3 24-FEB-09 5RAT 1 VERSN REVDAT 2 01-APR-03 5RAT 1 JRNL REVDAT 1 15-JUL-93 5RAT 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 : 10235 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) : 0.151 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) : 0.022 ; 0.030 REMARK 3 ANGLE DISTANCE (A) : 0.036 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.039 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.016 ; 0.025 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.146 ; 0.150 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 3.300 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 16.200; 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 5RAT 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) : 220 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 (%): 42.43 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 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 19.11500 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 2 CD GLU A 2 OE2 0.080 REMARK 500 GLU A 9 CD GLU A 9 OE1 0.073 REMARK 500 GLU A 111 CD GLU A 111 OE2 -0.068 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLU A 2 OE1 - CD - OE2 ANGL. DEV. = 11.3 DEGREES REMARK 500 PHE A 8 CB - CG - CD2 ANGL. DEV. = 4.6 DEGREES REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG A 39 CD - NE - CZ ANGL. DEV. = 25.5 DEGREES REMARK 500 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 9.8 DEGREES REMARK 500 ARG A 39 NE - CZ - NH2 ANGL. DEV. = -5.1 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -7.9 DEGREES REMARK 500 ALA A 64 O - C - N ANGL. DEV. = 10.7 DEGREES REMARK 500 THR A 70 N - CA - CB ANGL. DEV. = -17.9 DEGREES REMARK 500 TYR A 73 CB - CG - CD1 ANGL. DEV. = -3.7 DEGREES REMARK 500 TYR A 115 O - C - N ANGL. DEV. = 10.7 DEGREES REMARK 500 ASP A 121 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 CYS A 58 -6.61 -58.62 REMARK 500 GLN A 60 -140.62 -101.62 REMARK 500 GLN A 69 151.32 -45.36 REMARK 500 ALA A 122 167.20 173.72 REMARK 500 REMARK 500 REMARK: NULL DBREF 5RAT A 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 SHEET 1 A 3 VAL A 43 VAL A 47 0 SHEET 2 A 3 MET A 79 GLU A 86 -1 N THR A 82 O PHE A 46 SHEET 3 A 3 TYR A 97 LYS A 104 -1 N LYS A 98 O ARG A 85 SHEET 1 B 4 LYS A 61 VAL A 63 0 SHEET 2 B 4 CYS A 72 GLN A 74 -1 O CYS A 72 N VAL A 63 SHEET 3 B 4 ILE A 106 GLU A 111 -1 N VAL A 108 O TYR A 73 SHEET 4 B 4 VAL A 116 SER A 123 -1 N VAL A 116 O GLU A 111 SSBOND *** CYS A 26 CYS A 84 1555 1555 2.06 SSBOND *** CYS A 40 CYS A 95 1555 1555 2.16 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.12 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.09 CISPEP 1 TYR A 92 PRO A 93 0 4.75 CISPEP 2 ASN A 113 PRO A 114 0 -0.13 CRYST1 30.140 38.230 53.160 90.00 106.96 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 0.033179 0.000000 0.010118 0.00000 SCALE2 0.000000 0.026157 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019666 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 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 123 SER OG : rot -159:sc= -2.52! USER MOD Set 2.1: A 17 THR OG1 : rot -101:sc= 0.857 USER MOD Set 2.2: A 25 TYR OH : rot 171:sc= 1.15 USER MOD Set 2.3: A 29 MET CE :methyl -151:sc= -0.0317 (180deg=-0.388) USER MOD Set 2.4: A 48 HIS : no HD1:sc= 0.759 K(o=6.9,f=0.63!) USER MOD Set 2.5: A 80 SER OG : rot -168:sc= 1.75 USER MOD Set 2.6: A 82 THR OG1 : rot -28:sc= 1.27 USER MOD Set 2.7: A 101 GLN : amide:sc= 1.16 K(o=6.9,f=3.5) USER MOD Set 3.1: A 73 TYR OH : rot 180:sc= 0.931 USER MOD Set 3.2: A 115 TYR OH : rot -171:sc= 1.88 USER MOD Set 4.1: A 67 ASN : amide:sc= 0.0471 K(o=2.1,f=-1.3) USER MOD Set 4.2: A 69 GLN : amide:sc= 0.333 K(o=2.1,f=-2.1) USER MOD Set 4.3: A 71 ASN : amide:sc= 1.69 K(o=2.1,f=-6.6!) USER MOD Set 5.1: A 12 HIS : no HE2:sc= 1.18 K(o=3.8,f=-1.7!) USER MOD Set 5.2: A 41 LYS NZ :NH3+ -136:sc= 0.765 (180deg=0) USER MOD Set 5.3: A 44 ASN : amide:sc= 1.82 K(o=3.8,f=-4.2) USER MOD Set 6.1: A 30 MET CE :methyl -115:sc= -0.818 (180deg=-1.14) USER MOD Set 6.2: A 97 TYR OH : rot 175:sc= 0.918 USER MOD Set 7.1: A 24 ASN : amide:sc= 0.0159 K(o=0.35,f=-0.61) USER MOD Set 7.2: A 27 ASN : amide:sc= 0.334 K(o=0.35,f=-6.3!) USER MOD Single : A 1 LYS N :NH3+ -110:sc= 0.274 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -169:sc= -1 (180deg=-1.9!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.837 X(o=-0.84,f=-0.48) USER MOD Single : A 13 MET CE :methyl -141:sc= -0.259 (180deg=-1.13) USER MOD Single : A 15 SER OG : rot -60:sc= 0.881 USER MOD Single : A 16 SER OG : rot -46:sc= 0.758 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= -0.0147 X(o=-0.015,f=-0.3) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.0849 (180deg=-0.419) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.747 X(o=-0.75,f=-1.2) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= -0.0509 (180deg=-0.342) USER MOD Single : A 45 THR OG1 : rot -93:sc= 0.391 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0545 USER MOD Single : A 55 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1) USER MOD Single : A 59 SER OG : rot -52:sc= 0.278 USER MOD Single : A 60 GLN : amide:sc= 0.404 K(o=0.4,f=-3.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 1.1 K(o=1.1,f=-0.00039) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0063 K(o=-0.0063,f=-0.55) USER MOD Single : A 75 SER OG : rot 110:sc= 1.24 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -127:sc= 1.16 USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= -0.34 (180deg=-1.43!) USER MOD Single : A 92 TYR OH : rot 1:sc= 1.28 USER MOD Single : A 94 ASN : amide:sc=-0.00293 X(o=-0.0029,f=-0.17) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 128:sc= 0.73 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 105 HIS :FLIP no HE2:sc= 0.637 F(o=-2.3!,f=0.64) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 1.03 K(o=1,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 27.651 45.647 52.933 1.00 13.59 N ATOM 2 CA LYS A 1 27.385 44.270 52.323 1.00 12.13 C ATOM 3 C LYS A 1 26.627 44.538 51.051 1.00 5.71 C ATOM 4 O LYS A 1 26.207 45.723 50.848 1.00 6.57 O ATOM 5 CB LYS A 1 26.698 43.315 53.289 1.00 14.82 C ATOM 6 CG LYS A 1 25.368 43.888 53.797 1.00 72.87 C ATOM 7 CD LYS A 1 24.384 42.818 54.255 1.00 38.25 C ATOM 8 CE LYS A 1 23.018 43.047 53.594 1.00 48.50 C ATOM 9 NZ LYS A 1 22.888 44.423 53.034 1.00 38.18 N ATOM 0 H1 LYS A 1 28.519 45.835 52.875 1.00 13.59 H new ATOM 0 H2 LYS A 1 27.185 46.263 52.491 1.00 13.59 H new ATOM 0 H3 LYS A 1 27.404 45.646 53.788 1.00 13.59 H new ATOM 0 HA LYS A 1 28.207 43.795 52.125 1.00 12.13 H new ATOM 0 HB2 LYS A 1 26.538 42.466 52.848 1.00 14.82 H new ATOM 0 HB3 LYS A 1 27.284 43.138 54.042 1.00 14.82 H new ATOM 0 HG2 LYS A 1 25.545 44.493 54.535 1.00 72.87 H new ATOM 0 HG3 LYS A 1 24.959 44.413 53.091 1.00 72.87 H new ATOM 0 HD2 LYS A 1 24.720 41.938 54.024 1.00 38.25 H new ATOM 0 HD3 LYS A 1 24.293 42.843 55.220 1.00 38.25 H new ATOM 0 HE2 LYS A 1 22.890 42.397 52.885 1.00 48.50 H new ATOM 0 HE3 LYS A 1 22.316 42.897 54.246 1.00 48.50 H new ATOM 0 HZ1 LYS A 1 22.041 44.572 52.805 1.00 38.18 H new ATOM 0 HZ2 LYS A 1 23.138 45.018 53.647 1.00 38.18 H new ATOM 0 HZ3 LYS A 1 23.407 44.502 52.315 1.00 38.18 H new ATOM 10 N GLU A 2 26.529 43.582 50.187 1.00 3.66 N ATOM 11 CA GLU A 2 25.801 43.735 48.916 1.00 5.44 C ATOM 12 C GLU A 2 24.368 44.194 49.170 1.00 13.63 C ATOM 13 O GLU A 2 23.712 43.582 50.034 1.00 7.44 O ATOM 14 CB GLU A 2 25.733 42.397 48.153 1.00 6.26 C ATOM 15 CG GLU A 2 25.112 42.359 46.729 1.00 0.89 C ATOM 16 CD GLU A 2 25.056 40.906 46.221 1.00 2.74 C ATOM 17 OE1 GLU A 2 24.853 40.065 47.085 1.00 2.60 O ATOM 18 OE2 GLU A 2 25.218 40.868 44.899 1.00 6.13 O ATOM 0 H GLU A 2 26.879 42.804 50.298 1.00 3.66 H new ATOM 0 HA GLU A 2 26.281 44.394 48.391 1.00 5.44 H new ATOM 0 HB2 GLU A 2 26.638 42.055 48.085 1.00 6.26 H new ATOM 0 HB3 GLU A 2 25.235 41.773 48.704 1.00 6.26 H new ATOM 0 HG2 GLU A 2 24.220 42.739 46.746 1.00 0.89 H new ATOM 0 HG3 GLU A 2 25.640 42.902 46.123 1.00 0.89 H new ATOM 19 N THR A 3 23.967 45.188 48.407 1.00 2.89 N ATOM 20 CA THR A 3 22.610 45.723 48.509 1.00 5.28 C ATOM 21 C THR A 3 21.606 44.767 47.848 1.00 18.94 C ATOM 22 O THR A 3 21.976 43.964 46.933 1.00 9.76 O ATOM 23 CB THR A 3 22.464 47.138 48.001 1.00 2.03 C ATOM 24 OG1 THR A 3 22.627 47.061 46.577 1.00 8.02 O ATOM 25 CG2 THR A 3 23.513 48.093 48.611 1.00 9.22 C ATOM 0 H THR A 3 24.461 45.574 47.818 1.00 2.89 H new ATOM 0 HA THR A 3 22.409 45.781 49.456 1.00 5.28 H new ATOM 0 HB THR A 3 21.600 47.499 48.254 1.00 2.03 H new ATOM 0 HG1 THR A 3 22.552 47.829 46.244 1.00 8.02 H new ATOM 0 HG21 THR A 3 23.382 48.987 48.258 1.00 9.22 H new ATOM 0 HG22 THR A 3 23.414 48.109 49.576 1.00 9.22 H new ATOM 0 HG23 THR A 3 24.404 47.784 48.383 1.00 9.22 H new ATOM 26 N ALA A 4 20.337 44.920 48.255 1.00 2.78 N ATOM 27 CA ALA A 4 19.257 44.117 47.645 1.00 4.26 C ATOM 28 C ALA A 4 19.164 44.385 46.170 1.00 5.85 C ATOM 29 O ALA A 4 18.930 43.468 45.356 1.00 7.85 O ATOM 30 CB ALA A 4 17.910 44.385 48.306 1.00 5.24 C ATOM 0 H ALA A 4 20.082 45.468 48.867 1.00 2.78 H new ATOM 0 HA ALA A 4 19.480 43.184 47.786 1.00 4.26 H new ATOM 0 HB1 ALA A 4 17.227 43.842 47.881 1.00 5.24 H new ATOM 0 HB2 ALA A 4 17.961 44.160 49.248 1.00 5.24 H new ATOM 0 HB3 ALA A 4 17.683 45.323 48.210 1.00 5.24 H new ATOM 31 N ALA A 5 19.393 45.647 45.814 1.00 0.50 N ATOM 32 CA ALA A 5 19.331 46.067 44.339 1.00 1.62 C ATOM 33 C ALA A 5 20.467 45.341 43.577 1.00 2.44 C ATOM 34 O ALA A 5 20.160 44.806 42.509 1.00 3.62 O ATOM 35 CB ALA A 5 19.347 47.520 44.187 1.00 0.50 C ATOM 0 H ALA A 5 19.582 46.281 46.363 1.00 0.50 H new ATOM 0 HA ALA A 5 18.486 45.796 43.946 1.00 1.62 H new ATOM 0 HB1 ALA A 5 19.307 47.747 43.245 1.00 0.50 H new ATOM 0 HB2 ALA A 5 18.582 47.902 44.644 1.00 0.50 H new ATOM 0 HB3 ALA A 5 20.163 47.877 44.571 1.00 0.50 H new ATOM 36 N ALA A 6 21.653 45.417 44.136 1.00 5.93 N ATOM 37 CA ALA A 6 22.834 44.729 43.526 1.00 3.06 C ATOM 38 C ALA A 6 22.639 43.276 43.373 1.00 11.00 C ATOM 39 O ALA A 6 22.935 42.588 42.306 1.00 4.48 O ATOM 40 CB ALA A 6 24.078 45.150 44.289 1.00 2.83 C ATOM 0 H ALA A 6 21.822 45.850 44.860 1.00 5.93 H new ATOM 0 HA ALA A 6 22.951 45.013 42.606 1.00 3.06 H new ATOM 0 HB1 ALA A 6 24.855 44.713 43.907 1.00 2.83 H new ATOM 0 HB2 ALA A 6 24.185 46.112 44.227 1.00 2.83 H new ATOM 0 HB3 ALA A 6 23.989 44.894 45.220 1.00 2.83 H new ATOM 41 N LYS A 7 22.117 42.665 44.492 1.00 2.12 N ATOM 42 CA LYS A 7 21.830 41.250 44.543 1.00 3.86 C ATOM 43 C LYS A 7 20.845 40.868 43.424 1.00 8.38 C ATOM 44 O LYS A 7 21.031 39.797 42.814 1.00 3.31 O ATOM 45 CB LYS A 7 21.231 40.830 45.916 1.00 0.52 C ATOM 46 CG LYS A 7 21.050 39.300 45.916 1.00 1.59 C ATOM 47 CD LYS A 7 20.917 38.842 47.339 1.00 16.00 C ATOM 48 CE LYS A 7 20.148 37.504 47.390 1.00 26.82 C ATOM 49 NZ LYS A 7 20.348 36.854 48.712 1.00 37.31 N ATOM 0 H LYS A 7 21.933 43.085 45.219 1.00 2.12 H new ATOM 0 HA LYS A 7 22.670 40.781 44.421 1.00 3.86 H new ATOM 0 HB2 LYS A 7 21.819 41.101 46.638 1.00 0.52 H new ATOM 0 HB3 LYS A 7 20.380 41.271 46.063 1.00 0.52 H new ATOM 0 HG2 LYS A 7 20.263 39.053 45.406 1.00 1.59 H new ATOM 0 HG3 LYS A 7 21.809 38.870 45.492 1.00 1.59 H new ATOM 0 HD2 LYS A 7 21.795 38.735 47.736 1.00 16.00 H new ATOM 0 HD3 LYS A 7 20.450 39.513 47.861 1.00 16.00 H new ATOM 0 HE2 LYS A 7 19.203 37.659 47.237 1.00 26.82 H new ATOM 0 HE3 LYS A 7 20.457 36.917 46.682 1.00 26.82 H new ATOM 0 HZ1 LYS A 7 19.902 36.084 48.735 1.00 37.31 H new ATOM 0 HZ2 LYS A 7 21.215 36.699 48.838 1.00 37.31 H new ATOM 0 HZ3 LYS A 7 20.046 37.390 49.355 1.00 37.31 H new ATOM 50 N PHE A 8 19.853 41.709 43.221 1.00 9.41 N ATOM 51 CA PHE A 8 18.882 41.441 42.153 1.00 4.41 C ATOM 52 C PHE A 8 19.557 41.403 40.729 1.00 0.50 C ATOM 53 O PHE A 8 19.263 40.486 39.916 1.00 3.40 O ATOM 54 CB PHE A 8 17.737 42.474 42.153 1.00 6.66 C ATOM 55 CG PHE A 8 16.736 42.244 41.085 1.00 6.67 C ATOM 56 CD1 PHE A 8 16.989 42.779 39.763 1.00 7.97 C ATOM 57 CD2 PHE A 8 15.544 41.556 41.238 1.00 3.18 C ATOM 58 CE1 PHE A 8 16.093 42.550 38.746 1.00 4.40 C ATOM 59 CE2 PHE A 8 14.649 41.327 40.221 1.00 5.63 C ATOM 60 CZ PHE A 8 14.932 41.824 38.899 1.00 3.02 C ATOM 0 H PHE A 8 19.715 42.428 43.673 1.00 9.41 H new ATOM 0 HA PHE A 8 18.514 40.563 42.339 1.00 4.41 H new ATOM 0 HB2 PHE A 8 17.291 42.453 43.014 1.00 6.66 H new ATOM 0 HB3 PHE A 8 18.112 43.363 42.049 1.00 6.66 H new ATOM 0 HD1 PHE A 8 17.758 43.277 39.602 1.00 7.97 H new ATOM 0 HD2 PHE A 8 15.336 41.228 42.083 1.00 3.18 H new ATOM 0 HE1 PHE A 8 16.281 42.905 37.907 1.00 4.40 H new ATOM 0 HE2 PHE A 8 13.865 40.854 40.385 1.00 5.63 H new ATOM 0 HZ PHE A 8 14.359 41.663 38.184 1.00 3.02 H new ATOM 61 N GLU A 9 20.433 42.397 40.526 1.00 2.09 N ATOM 62 CA GLU A 9 21.213 42.397 39.255 1.00 2.29 C ATOM 63 C GLU A 9 22.027 41.135 39.153 1.00 0.50 C ATOM 64 O GLU A 9 21.991 40.486 38.085 1.00 2.21 O ATOM 65 CB GLU A 9 22.102 43.620 39.204 1.00 4.21 C ATOM 66 CG GLU A 9 21.261 44.958 38.899 1.00 2.49 C ATOM 67 CD GLU A 9 22.242 46.105 38.746 1.00 11.46 C ATOM 68 OE1 GLU A 9 23.199 45.800 37.882 1.00 8.64 O ATOM 69 OE2 GLU A 9 22.162 47.176 39.306 1.00 9.93 O ATOM 0 H GLU A 9 20.591 43.046 41.067 1.00 2.09 H new ATOM 0 HA GLU A 9 20.604 42.427 38.500 1.00 2.29 H new ATOM 0 HB2 GLU A 9 22.568 43.717 40.049 1.00 4.21 H new ATOM 0 HB3 GLU A 9 22.778 43.500 38.519 1.00 4.21 H new ATOM 0 HG2 GLU A 9 20.736 44.851 38.091 1.00 2.49 H new ATOM 0 HG3 GLU A 9 20.638 45.139 39.620 1.00 2.49 H new ATOM 70 N ARG A 10 22.742 40.791 40.170 1.00 5.33 N ATOM 71 CA ARG A 10 23.570 39.568 40.221 1.00 14.73 C ATOM 72 C ARG A 10 22.789 38.306 40.017 1.00 22.06 C ATOM 73 O ARG A 10 23.157 37.389 39.204 1.00 4.91 O ATOM 74 CB ARG A 10 24.419 39.453 41.492 1.00 3.13 C ATOM 75 CG ARG A 10 25.247 38.154 41.543 1.00 3.16 C ATOM 76 CD ARG A 10 26.262 38.230 42.661 1.00 1.94 C ATOM 77 NE ARG A 10 25.557 38.421 43.984 1.00 5.95 N ATOM 78 CZ ARG A 10 25.010 37.351 44.594 1.00 7.65 C ATOM 79 NH1 ARG A 10 25.014 36.127 44.085 1.00 6.45 N ATOM 80 NH2 ARG A 10 24.457 37.542 45.814 1.00 1.60 N ATOM 0 H ARG A 10 22.781 41.259 40.891 1.00 5.33 H new ATOM 0 HA ARG A 10 24.173 39.671 39.468 1.00 14.73 H new ATOM 0 HB2 ARG A 10 25.017 40.215 41.546 1.00 3.13 H new ATOM 0 HB3 ARG A 10 23.838 39.492 42.268 1.00 3.13 H new ATOM 0 HG2 ARG A 10 24.661 37.393 41.680 1.00 3.16 H new ATOM 0 HG3 ARG A 10 25.698 38.016 40.695 1.00 3.16 H new ATOM 0 HD2 ARG A 10 26.793 37.418 42.683 1.00 1.94 H new ATOM 0 HD3 ARG A 10 26.875 38.965 42.503 1.00 1.94 H new ATOM 0 HE ARG A 10 25.506 39.201 44.342 1.00 5.95 H new ATOM 0 HH11 ARG A 10 25.381 35.980 43.321 1.00 6.45 H new ATOM 0 HH12 ARG A 10 24.649 35.480 44.519 1.00 6.45 H new ATOM 0 HH21 ARG A 10 24.464 38.324 46.171 1.00 1.60 H new ATOM 0 HH22 ARG A 10 24.099 36.881 46.232 1.00 1.60 H new ATOM 81 N GLN A 11 21.622 38.154 40.678 1.00 5.60 N ATOM 82 CA GLN A 11 20.841 36.930 40.475 1.00 3.23 C ATOM 83 C GLN A 11 19.977 36.854 39.255 1.00 0.50 C ATOM 84 O GLN A 11 19.754 35.669 38.899 1.00 5.36 O ATOM 85 CB GLN A 11 19.910 36.739 41.746 1.00 4.50 C ATOM 86 CG GLN A 11 20.759 36.395 42.916 1.00 5.38 C ATOM 87 CD GLN A 11 19.935 35.936 44.136 1.00 28.94 C ATOM 88 OE1 GLN A 11 18.758 36.318 44.339 1.00 15.68 O ATOM 89 NE2 GLN A 11 20.621 35.133 44.950 1.00 11.26 N ATOM 0 H GLN A 11 21.283 38.725 41.224 1.00 5.60 H new ATOM 0 HA GLN A 11 21.503 36.233 40.345 1.00 3.23 H new ATOM 0 HB2 GLN A 11 19.410 37.552 41.921 1.00 4.50 H new ATOM 0 HB3 GLN A 11 19.261 36.036 41.584 1.00 4.50 H new ATOM 0 HG2 GLN A 11 21.378 35.692 42.666 1.00 5.38 H new ATOM 0 HG3 GLN A 11 21.292 37.167 43.162 1.00 5.38 H new ATOM 0 HE21 GLN A 11 21.427 34.908 44.753 1.00 11.26 H new ATOM 0 HE22 GLN A 11 20.257 34.840 45.672 1.00 11.26 H new ATOM 90 N HIS A 12 19.470 37.924 38.644 1.00 1.03 N ATOM 91 CA HIS A 12 18.468 37.886 37.678 1.00 0.91 C ATOM 92 C HIS A 12 18.675 38.689 36.407 1.00 0.50 C ATOM 93 O HIS A 12 17.702 38.612 35.644 1.00 7.49 O ATOM 94 CB HIS A 12 17.062 38.383 38.238 1.00 3.53 C ATOM 95 CG HIS A 12 16.674 37.580 39.509 1.00 0.50 C ATOM 96 ND1 HIS A 12 16.253 36.280 39.407 1.00 4.14 N ATOM 97 CD2 HIS A 12 16.633 38.001 40.831 1.00 3.08 C ATOM 98 CE1 HIS A 12 16.032 35.898 40.628 1.00 12.29 C ATOM 99 NE2 HIS A 12 16.235 36.892 41.543 1.00 7.05 N ATOM 0 H HIS A 12 19.740 38.722 38.816 1.00 1.03 H new ATOM 0 HA HIS A 12 18.497 36.943 37.452 1.00 0.91 H new ATOM 0 HB2 HIS A 12 17.106 39.329 38.447 1.00 3.53 H new ATOM 0 HB3 HIS A 12 16.379 38.274 37.558 1.00 3.53 H new ATOM 0 HD1 HIS A 12 16.156 35.817 38.689 1.00 4.14 H new ATOM 0 HD2 HIS A 12 16.831 38.847 41.163 1.00 3.08 H new ATOM 0 HE1 HIS A 12 15.763 35.037 40.856 1.00 12.29 H new ATOM 100 N MET A 13 19.746 39.415 36.356 1.00 3.60 N ATOM 101 CA MET A 13 19.892 40.256 35.085 1.00 2.47 C ATOM 102 C MET A 13 21.015 39.645 34.170 1.00 3.03 C ATOM 103 O MET A 13 22.050 39.377 34.729 1.00 3.88 O ATOM 104 CB MET A 13 20.251 41.709 35.390 1.00 4.53 C ATOM 105 CG MET A 13 19.162 42.588 35.899 1.00 1.31 C ATOM 106 SD MET A 13 17.648 42.665 34.933 1.00 5.70 S ATOM 107 CE MET A 13 18.399 43.353 33.458 1.00 1.93 C ATOM 0 H MET A 13 20.368 39.472 36.947 1.00 3.60 H new ATOM 0 HA MET A 13 19.033 40.243 34.635 1.00 2.47 H new ATOM 0 HB2 MET A 13 20.968 41.710 36.043 1.00 4.53 H new ATOM 0 HB3 MET A 13 20.605 42.108 34.579 1.00 4.53 H new ATOM 0 HG2 MET A 13 18.932 42.294 36.794 1.00 1.31 H new ATOM 0 HG3 MET A 13 19.514 43.488 35.978 1.00 1.31 H new ATOM 0 HE1 MET A 13 17.802 44.010 33.067 1.00 1.93 H new ATOM 0 HE2 MET A 13 19.239 43.778 33.691 1.00 1.93 H new ATOM 0 HE3 MET A 13 18.562 42.644 32.817 1.00 1.93 H new ATOM 108 N ASP A 14 20.680 39.568 32.899 1.00 10.69 N ATOM 109 CA ASP A 14 21.653 39.148 31.882 1.00 6.90 C ATOM 110 C ASP A 14 21.422 40.065 30.661 1.00 4.75 C ATOM 111 O ASP A 14 20.843 39.530 29.695 1.00 4.35 O ATOM 112 CB ASP A 14 21.701 37.695 31.526 1.00 2.46 C ATOM 113 CG ASP A 14 22.960 37.427 30.560 1.00 6.36 C ATOM 114 OD1 ASP A 14 23.730 38.345 30.407 1.00 4.71 O ATOM 115 OD2 ASP A 14 22.965 36.319 30.051 1.00 8.20 O ATOM 0 H ASP A 14 19.898 39.752 32.593 1.00 10.69 H new ATOM 0 HA ASP A 14 22.539 39.251 32.264 1.00 6.90 H new ATOM 0 HB2 ASP A 14 21.776 37.157 32.329 1.00 2.46 H new ATOM 0 HB3 ASP A 14 20.879 37.432 31.084 1.00 2.46 H new ATOM 116 N SER A 15 21.889 41.288 30.712 1.00 6.96 N ATOM 117 CA SER A 15 21.748 42.206 29.594 1.00 6.54 C ATOM 118 C SER A 15 22.722 41.900 28.475 1.00 7.49 C ATOM 119 O SER A 15 22.610 42.588 27.458 1.00 8.41 O ATOM 120 CB SER A 15 22.106 43.659 30.000 1.00 5.03 C ATOM 121 OG SER A 15 21.313 43.965 31.119 1.00 23.70 O ATOM 0 H SER A 15 22.298 41.618 31.393 1.00 6.96 H new ATOM 0 HA SER A 15 20.824 42.108 29.316 1.00 6.54 H new ATOM 0 HB2 SER A 15 23.049 43.736 30.213 1.00 5.03 H new ATOM 0 HB3 SER A 15 21.929 44.275 29.272 1.00 5.03 H new ATOM 0 HG SER A 15 20.501 43.898 30.914 1.00 23.70 H new ATOM 122 N SER A 16 23.655 41.021 28.678 1.00 5.70 N ATOM 123 CA SER A 16 24.747 40.638 27.763 1.00 10.28 C ATOM 124 C SER A 16 24.350 39.683 26.695 1.00 14.72 C ATOM 125 O SER A 16 25.112 39.530 25.678 1.00 11.44 O ATOM 126 CB SER A 16 25.946 40.103 28.577 1.00 13.74 C ATOM 127 OG SER A 16 25.718 38.689 28.831 1.00 18.81 O ATOM 0 H SER A 16 23.691 40.579 29.415 1.00 5.70 H new ATOM 0 HA SER A 16 25.003 41.445 27.289 1.00 10.28 H new ATOM 0 HB2 SER A 16 26.773 40.231 28.087 1.00 13.74 H new ATOM 0 HB3 SER A 16 26.033 40.588 29.412 1.00 13.74 H new ATOM 0 HG SER A 16 24.929 38.575 29.096 1.00 18.81 H new ATOM 128 N THR A 17 23.204 39.071 26.797 1.00 3.02 N ATOM 129 CA THR A 17 22.715 38.115 25.831 1.00 6.03 C ATOM 130 C THR A 17 21.209 38.383 25.627 1.00 15.30 C ATOM 131 O THR A 17 20.524 38.918 26.492 1.00 4.64 O ATOM 132 CB THR A 17 23.057 36.663 26.288 1.00 11.44 C ATOM 133 OG1 THR A 17 22.234 36.319 27.407 1.00 6.83 O ATOM 134 CG2 THR A 17 24.516 36.510 26.644 1.00 15.25 C ATOM 0 H THR A 17 22.663 39.200 27.453 1.00 3.02 H new ATOM 0 HA THR A 17 23.149 38.214 24.969 1.00 6.03 H new ATOM 0 HB THR A 17 22.881 36.061 25.548 1.00 11.44 H new ATOM 0 HG1 THR A 17 22.679 36.394 28.116 1.00 6.83 H new ATOM 0 HG21 THR A 17 24.687 35.597 26.922 1.00 15.25 H new ATOM 0 HG22 THR A 17 25.062 36.720 25.870 1.00 15.25 H new ATOM 0 HG23 THR A 17 24.738 37.115 27.369 1.00 15.25 H new ATOM 135 N SER A 18 20.722 38.077 24.458 1.00 6.76 N ATOM 136 CA SER A 18 19.293 38.306 24.102 1.00 3.31 C ATOM 137 C SER A 18 18.476 37.083 24.509 1.00 3.75 C ATOM 138 O SER A 18 17.240 37.236 24.610 1.00 8.87 O ATOM 139 CB SER A 18 19.140 38.612 22.627 1.00 12.80 C ATOM 140 OG SER A 18 19.237 37.389 21.915 1.00 18.92 O ATOM 0 H SER A 18 21.189 37.728 23.826 1.00 6.76 H new ATOM 0 HA SER A 18 18.962 39.080 24.584 1.00 3.31 H new ATOM 0 HB2 SER A 18 18.285 39.038 22.456 1.00 12.80 H new ATOM 0 HB3 SER A 18 19.828 39.230 22.335 1.00 12.80 H new ATOM 0 HG SER A 18 19.153 37.536 21.092 1.00 18.92 H new ATOM 141 N ALA A 19 19.168 35.974 24.712 1.00 6.08 N ATOM 142 CA ALA A 19 18.547 34.675 25.068 1.00 11.20 C ATOM 143 C ALA A 19 19.674 33.719 25.424 1.00 24.14 C ATOM 144 O ALA A 19 20.866 33.986 25.271 1.00 8.57 O ATOM 145 CB ALA A 19 17.728 34.178 23.899 1.00 4.09 C ATOM 0 H ALA A 19 20.025 35.939 24.649 1.00 6.08 H new ATOM 0 HA ALA A 19 17.946 34.755 25.825 1.00 11.20 H new ATOM 0 HB1 ALA A 19 17.320 33.328 24.128 1.00 4.09 H new ATOM 0 HB2 ALA A 19 17.035 34.824 23.692 1.00 4.09 H new ATOM 0 HB3 ALA A 19 18.303 34.062 23.127 1.00 4.09 H new ATOM 146 N ALA A 20 19.278 32.534 25.932 1.00 7.36 N ATOM 147 CA ALA A 20 20.239 31.502 26.339 1.00 0.50 C ATOM 148 C ALA A 20 20.688 30.890 24.966 1.00 6.02 C ATOM 149 O ALA A 20 19.805 30.546 24.204 1.00 8.16 O ATOM 150 CB ALA A 20 19.598 30.508 27.255 1.00 4.77 C ATOM 0 H ALA A 20 18.454 32.314 26.047 1.00 7.36 H new ATOM 0 HA ALA A 20 20.993 31.835 26.850 1.00 0.50 H new ATOM 0 HB1 ALA A 20 20.249 29.837 27.511 1.00 4.77 H new ATOM 0 HB2 ALA A 20 19.273 30.962 28.048 1.00 4.77 H new ATOM 0 HB3 ALA A 20 18.855 30.081 26.800 1.00 4.77 H new ATOM 151 N SER A 21 21.969 30.737 24.916 1.00 2.36 N ATOM 152 CA SER A 21 22.478 30.202 23.543 1.00 16.59 C ATOM 153 C SER A 21 22.599 28.711 23.441 1.00 12.70 C ATOM 154 O SER A 21 22.744 28.137 22.373 1.00 6.75 O ATOM 155 CB SER A 21 23.791 30.928 23.288 1.00 4.12 C ATOM 156 OG SER A 21 24.778 30.469 24.204 1.00 12.67 O ATOM 0 H SER A 21 22.547 30.892 25.533 1.00 2.36 H new ATOM 0 HA SER A 21 21.820 30.388 22.855 1.00 16.59 H new ATOM 0 HB2 SER A 21 24.085 30.772 22.377 1.00 4.12 H new ATOM 0 HB3 SER A 21 23.666 31.885 23.386 1.00 4.12 H new ATOM 0 HG SER A 21 25.502 30.870 24.060 1.00 12.67 H new ATOM 157 N SER A 22 22.499 28.061 24.661 1.00 5.09 N ATOM 158 CA SER A 22 22.589 26.608 24.661 1.00 9.10 C ATOM 159 C SER A 22 21.990 26.073 25.932 1.00 9.89 C ATOM 160 O SER A 22 21.816 26.799 26.899 1.00 4.94 O ATOM 161 CB SER A 22 24.022 26.111 24.509 1.00 10.23 C ATOM 162 OG SER A 22 24.780 26.455 25.678 1.00 8.18 O ATOM 0 H SER A 22 22.388 28.436 25.427 1.00 5.09 H new ATOM 0 HA SER A 22 22.095 26.282 23.893 1.00 9.10 H new ATOM 0 HB2 SER A 22 24.028 25.150 24.380 1.00 10.23 H new ATOM 0 HB3 SER A 22 24.429 26.505 23.722 1.00 10.23 H new ATOM 0 HG SER A 22 25.569 26.179 25.592 1.00 8.18 H new ATOM 163 N SER A 23 21.824 24.773 25.983 1.00 6.64 N ATOM 164 CA SER A 23 21.317 24.047 27.153 1.00 3.46 C ATOM 165 C SER A 23 22.180 24.276 28.373 1.00 13.85 C ATOM 166 O SER A 23 21.703 24.200 29.543 1.00 11.49 O ATOM 167 CB SER A 23 21.095 22.594 26.695 1.00 7.07 C ATOM 168 OG SER A 23 22.284 21.868 26.848 1.00 12.63 O ATOM 0 H SER A 23 22.006 24.257 25.319 1.00 6.64 H new ATOM 0 HA SER A 23 20.462 24.376 27.472 1.00 3.46 H new ATOM 0 HB2 SER A 23 20.386 22.185 27.216 1.00 7.07 H new ATOM 0 HB3 SER A 23 20.811 22.577 25.768 1.00 7.07 H new ATOM 0 HG SER A 23 22.162 21.075 26.599 1.00 12.63 H new ATOM 169 N ASN A 24 23.463 24.620 28.221 1.00 4.26 N ATOM 170 CA ASN A 24 24.327 24.888 29.339 1.00 10.08 C ATOM 171 C ASN A 24 24.276 26.264 30.000 1.00 0.50 C ATOM 172 O ASN A 24 25.006 26.455 30.966 1.00 4.84 O ATOM 173 CB ASN A 24 25.792 24.505 28.983 1.00 14.02 C ATOM 174 CG ASN A 24 25.984 23.053 29.441 1.00 55.74 C ATOM 175 OD1 ASN A 24 26.200 22.747 30.610 1.00 40.04 O ATOM 176 ND2 ASN A 24 25.917 22.173 28.475 1.00 35.80 N ATOM 0 H ASN A 24 23.846 24.701 27.455 1.00 4.26 H new ATOM 0 HA ASN A 24 23.955 24.321 30.033 1.00 10.08 H new ATOM 0 HB2 ASN A 24 25.950 24.590 28.030 1.00 14.02 H new ATOM 0 HB3 ASN A 24 26.421 25.094 29.428 1.00 14.02 H new ATOM 0 HD21 ASN A 24 26.026 21.337 28.646 1.00 35.80 H new ATOM 0 HD22 ASN A 24 25.763 22.430 27.669 1.00 35.80 H new ATOM 177 N TYR A 25 23.497 27.143 29.492 1.00 2.51 N ATOM 178 CA TYR A 25 23.402 28.520 30.000 1.00 2.31 C ATOM 179 C TYR A 25 23.238 28.596 31.526 1.00 1.21 C ATOM 180 O TYR A 25 24.016 29.246 32.238 1.00 9.14 O ATOM 181 CB TYR A 25 22.309 29.246 29.136 1.00 4.23 C ATOM 182 CG TYR A 25 22.079 30.660 29.594 1.00 9.77 C ATOM 183 CD1 TYR A 25 21.256 30.852 30.712 1.00 13.66 C ATOM 184 CD2 TYR A 25 22.702 31.769 29.034 1.00 4.76 C ATOM 185 CE1 TYR A 25 21.025 32.113 31.272 1.00 3.70 C ATOM 186 CE2 TYR A 25 22.487 33.069 29.543 1.00 8.09 C ATOM 187 CZ TYR A 25 21.633 33.222 30.661 1.00 12.20 C ATOM 188 OH TYR A 25 21.402 34.445 31.221 1.00 6.77 O ATOM 0 H TYR A 25 22.981 26.985 28.823 1.00 2.51 H new ATOM 0 HA TYR A 25 24.237 29.001 29.889 1.00 2.31 H new ATOM 0 HB2 TYR A 25 22.582 29.248 28.205 1.00 4.23 H new ATOM 0 HB3 TYR A 25 21.476 28.751 29.186 1.00 4.23 H new ATOM 0 HD1 TYR A 25 20.847 30.111 31.097 1.00 13.66 H new ATOM 0 HD2 TYR A 25 23.273 31.653 28.309 1.00 4.76 H new ATOM 0 HE1 TYR A 25 20.487 32.214 32.024 1.00 3.70 H new ATOM 0 HE2 TYR A 25 22.897 33.807 29.153 1.00 8.09 H new ATOM 0 HH TYR A 25 21.902 35.017 30.862 1.00 6.77 H new ATOM 189 N CYS A 26 22.210 27.831 31.933 1.00 2.32 N ATOM 190 CA CYS A 26 21.911 27.793 33.407 1.00 4.66 C ATOM 191 C CYS A 26 23.079 27.334 34.221 1.00 0.50 C ATOM 192 O CYS A 26 23.568 27.984 35.187 1.00 3.74 O ATOM 193 CB CYS A 26 20.659 26.952 33.560 1.00 0.95 C ATOM 194 SG CYS A 26 19.216 27.946 33.153 1.00 4.42 S ATOM 0 H CYS A 26 21.701 27.356 31.428 1.00 2.32 H new ATOM 0 HA CYS A 26 21.748 28.681 33.762 1.00 4.66 H new ATOM 0 HB2 CYS A 26 20.705 26.177 32.978 1.00 0.95 H new ATOM 0 HB3 CYS A 26 20.589 26.620 34.469 1.00 0.95 H new ATOM 195 N ASN A 27 23.610 26.149 33.865 1.00 2.30 N ATOM 196 CA ASN A 27 24.779 25.576 34.577 1.00 5.39 C ATOM 197 C ASN A 27 25.894 26.608 34.678 1.00 6.11 C ATOM 198 O ASN A 27 26.457 26.723 35.797 1.00 13.04 O ATOM 199 CB ASN A 27 25.238 24.314 33.865 1.00 2.86 C ATOM 200 CG ASN A 27 24.362 23.129 34.068 1.00 2.30 C ATOM 201 OD1 ASN A 27 23.674 23.053 35.136 1.00 8.15 O ATOM 202 ND2 ASN A 27 24.384 22.135 33.204 1.00 10.02 N ATOM 0 H ASN A 27 23.313 25.663 33.220 1.00 2.30 H new ATOM 0 HA ASN A 27 24.526 25.336 35.482 1.00 5.39 H new ATOM 0 HB2 ASN A 27 25.297 24.498 32.914 1.00 2.86 H new ATOM 0 HB3 ASN A 27 26.133 24.094 34.168 1.00 2.86 H new ATOM 0 HD21 ASN A 27 23.929 21.422 33.358 1.00 10.02 H new ATOM 0 HD22 ASN A 27 24.853 22.200 32.486 1.00 10.02 H new ATOM 203 N GLN A 28 26.189 27.296 33.611 1.00 1.86 N ATOM 204 CA GLN A 28 27.289 28.252 33.661 1.00 0.50 C ATOM 205 C GLN A 28 26.936 29.514 34.424 1.00 4.95 C ATOM 206 O GLN A 28 27.788 30.011 35.187 1.00 6.64 O ATOM 207 CB GLN A 28 27.678 28.672 32.187 1.00 8.98 C ATOM 208 CG GLN A 28 28.603 27.717 31.526 1.00 33.76 C ATOM 209 CD GLN A 28 28.374 27.411 30.102 1.00 67.95 C ATOM 210 OE1 GLN A 28 27.612 27.984 29.339 1.00 26.64 O ATOM 211 NE2 GLN A 28 29.072 26.340 29.594 1.00 77.75 N ATOM 0 H GLN A 28 25.783 27.237 32.855 1.00 1.86 H new ATOM 0 HA GLN A 28 28.023 27.814 34.120 1.00 0.50 H new ATOM 0 HB2 GLN A 28 26.870 28.749 31.656 1.00 8.98 H new ATOM 0 HB3 GLN A 28 28.090 29.550 32.206 1.00 8.98 H new ATOM 0 HG2 GLN A 28 29.504 28.065 31.615 1.00 33.76 H new ATOM 0 HG3 GLN A 28 28.572 26.882 32.019 1.00 33.76 H new ATOM 0 HE21 GLN A 28 29.620 25.907 30.096 1.00 77.75 H new ATOM 0 HE22 GLN A 28 28.960 26.104 28.775 1.00 77.75 H new ATOM 212 N MET A 29 25.747 30.011 34.170 1.00 2.39 N ATOM 213 CA MET A 29 25.305 31.272 34.831 1.00 0.50 C ATOM 214 C MET A 29 25.096 31.157 36.305 1.00 6.58 C ATOM 215 O MET A 29 25.465 32.037 37.170 1.00 6.42 O ATOM 216 CB MET A 29 24.015 31.769 34.119 1.00 6.19 C ATOM 217 CG MET A 29 24.433 32.381 32.746 1.00 11.29 C ATOM 218 SD MET A 29 25.457 33.872 32.848 1.00 10.94 S ATOM 219 CE MET A 29 24.140 34.980 33.509 1.00 14.31 C ATOM 0 H MET A 29 25.174 29.660 33.633 1.00 2.39 H new ATOM 0 HA MET A 29 26.024 31.917 34.739 1.00 0.50 H new ATOM 0 HB2 MET A 29 23.394 31.035 33.989 1.00 6.19 H new ATOM 0 HB3 MET A 29 23.561 32.432 34.662 1.00 6.19 H new ATOM 0 HG2 MET A 29 24.916 31.708 32.241 1.00 11.29 H new ATOM 0 HG3 MET A 29 23.630 32.591 32.243 1.00 11.29 H new ATOM 0 HE1 MET A 29 24.311 35.891 33.225 1.00 14.31 H new ATOM 0 HE2 MET A 29 23.277 34.693 33.173 1.00 14.31 H new ATOM 0 HE3 MET A 29 24.139 34.939 34.478 1.00 14.31 H new ATOM 220 N MET A 30 24.520 30.011 36.712 1.00 10.68 N ATOM 221 CA MET A 30 24.236 29.743 38.136 1.00 3.71 C ATOM 222 C MET A 30 25.541 29.743 38.899 1.00 4.26 C ATOM 223 O MET A 30 25.682 30.240 40.017 1.00 9.48 O ATOM 224 CB MET A 30 23.361 28.558 38.339 1.00 3.06 C ATOM 225 CG MET A 30 21.995 28.596 37.678 1.00 4.12 C ATOM 226 SD MET A 30 20.962 29.705 38.594 1.00 7.93 S ATOM 227 CE MET A 30 20.753 28.940 40.170 1.00 5.19 C ATOM 0 H MET A 30 24.287 29.377 36.179 1.00 10.68 H new ATOM 0 HA MET A 30 23.695 30.456 38.510 1.00 3.71 H new ATOM 0 HB2 MET A 30 23.832 27.775 38.015 1.00 3.06 H new ATOM 0 HB3 MET A 30 23.232 28.437 39.293 1.00 3.06 H new ATOM 0 HG2 MET A 30 22.074 28.891 36.757 1.00 4.12 H new ATOM 0 HG3 MET A 30 21.604 27.708 37.659 1.00 4.12 H new ATOM 0 HE1 MET A 30 19.821 28.701 40.293 1.00 5.19 H new ATOM 0 HE2 MET A 30 21.301 28.141 40.217 1.00 5.19 H new ATOM 0 HE3 MET A 30 21.022 29.557 40.868 1.00 5.19 H new ATOM 228 N LYS A 31 26.525 29.131 38.339 1.00 5.20 N ATOM 229 CA LYS A 31 27.846 29.055 38.950 1.00 1.23 C ATOM 230 C LYS A 31 28.509 30.431 38.950 1.00 3.41 C ATOM 231 O LYS A 31 29.013 30.928 39.967 1.00 6.53 O ATOM 232 CB LYS A 31 28.802 28.099 38.187 1.00 5.73 C ATOM 233 CG LYS A 31 30.228 28.328 38.848 1.00 9.46 C ATOM 234 CD LYS A 31 30.768 26.914 39.153 1.00 35.57 C ATOM 235 CE LYS A 31 31.540 26.914 40.475 1.00 64.95 C ATOM 236 NZ LYS A 31 30.641 27.258 41.645 1.00 54.32 N ATOM 0 H LYS A 31 26.467 28.733 37.579 1.00 5.20 H new ATOM 0 HA LYS A 31 27.704 28.722 39.850 1.00 1.23 H new ATOM 0 HB2 LYS A 31 28.519 27.175 38.275 1.00 5.73 H new ATOM 0 HB3 LYS A 31 28.818 28.302 37.239 1.00 5.73 H new ATOM 0 HG2 LYS A 31 30.820 28.806 38.246 1.00 9.46 H new ATOM 0 HG3 LYS A 31 30.158 28.858 39.657 1.00 9.46 H new ATOM 0 HD2 LYS A 31 30.032 26.283 39.201 1.00 35.57 H new ATOM 0 HD3 LYS A 31 31.347 26.620 38.433 1.00 35.57 H new ATOM 0 HE2 LYS A 31 31.939 26.041 40.618 1.00 64.95 H new ATOM 0 HE3 LYS A 31 32.268 27.554 40.426 1.00 64.95 H new ATOM 0 HZ1 LYS A 31 30.965 26.889 42.387 1.00 54.32 H new ATOM 0 HZ2 LYS A 31 30.607 28.142 41.744 1.00 54.32 H new ATOM 0 HZ3 LYS A 31 29.822 26.945 41.492 1.00 54.32 H new ATOM 237 N SER A 32 28.595 31.081 37.780 1.00 6.06 N ATOM 238 CA SER A 32 29.289 32.381 37.678 1.00 2.18 C ATOM 239 C SER A 32 28.679 33.489 38.492 1.00 2.93 C ATOM 240 O SER A 32 29.428 34.292 39.000 1.00 9.10 O ATOM 241 CB SER A 32 29.497 32.801 36.204 1.00 11.00 C ATOM 242 OG SER A 32 28.297 33.184 35.594 1.00 15.04 O ATOM 0 H SER A 32 28.263 30.792 37.041 1.00 6.06 H new ATOM 0 HA SER A 32 30.159 32.231 38.080 1.00 2.18 H new ATOM 0 HB2 SER A 32 30.128 33.536 36.164 1.00 11.00 H new ATOM 0 HB3 SER A 32 29.889 32.064 35.711 1.00 11.00 H new ATOM 0 HG SER A 32 28.446 33.406 34.798 1.00 15.04 H new ATOM 243 N ARG A 33 27.352 33.528 38.594 1.00 6.14 N ATOM 244 CA ARG A 33 26.696 34.598 39.458 1.00 1.67 C ATOM 245 C ARG A 33 26.759 34.216 40.933 1.00 8.87 C ATOM 246 O ARG A 33 26.270 35.019 41.746 1.00 6.01 O ATOM 247 CB ARG A 33 25.300 34.828 38.899 1.00 4.13 C ATOM 248 CG ARG A 33 25.358 35.401 37.424 1.00 6.56 C ATOM 249 CD ARG A 33 26.081 36.663 37.424 1.00 3.79 C ATOM 250 NE ARG A 33 25.881 37.427 36.204 1.00 6.39 N ATOM 251 CZ ARG A 33 24.784 38.039 35.746 1.00 15.34 C ATOM 252 NH1 ARG A 33 23.722 38.192 36.560 1.00 11.53 N ATOM 253 NH2 ARG A 33 24.720 38.459 34.475 1.00 4.16 N ATOM 0 H ARG A 33 26.811 32.986 38.203 1.00 6.14 H new ATOM 0 HA ARG A 33 27.167 35.445 39.423 1.00 1.67 H new ATOM 0 HB2 ARG A 33 24.805 33.994 38.905 1.00 4.13 H new ATOM 0 HB3 ARG A 33 24.819 35.447 39.470 1.00 4.13 H new ATOM 0 HG2 ARG A 33 25.796 34.766 36.837 1.00 6.56 H new ATOM 0 HG3 ARG A 33 24.460 35.531 37.081 1.00 6.56 H new ATOM 0 HD2 ARG A 33 25.796 37.194 38.184 1.00 3.79 H new ATOM 0 HD3 ARG A 33 27.028 36.488 37.540 1.00 3.79 H new ATOM 0 HE ARG A 33 26.574 37.496 35.700 1.00 6.39 H new ATOM 0 HH11 ARG A 33 23.753 37.897 37.367 1.00 11.53 H new ATOM 0 HH12 ARG A 33 23.013 38.585 36.273 1.00 11.53 H new ATOM 0 HH21 ARG A 33 25.388 38.336 33.947 1.00 4.16 H new ATOM 0 HH22 ARG A 33 24.011 38.852 34.187 1.00 4.16 H new ATOM 254 N ASN A 34 27.374 33.069 41.289 1.00 5.99 N ATOM 255 CA ASN A 34 27.558 32.648 42.661 1.00 2.55 C ATOM 256 C ASN A 34 26.256 32.151 43.373 1.00 10.06 C ATOM 257 O ASN A 34 26.215 32.266 44.594 1.00 8.98 O ATOM 258 CB ASN A 34 28.200 33.795 43.424 1.00 16.38 C ATOM 259 CG ASN A 34 29.352 33.375 44.289 1.00 27.31 C ATOM 260 OD1 ASN A 34 30.079 32.457 43.882 1.00 56.35 O ATOM 261 ND2 ASN A 34 29.433 34.101 45.407 1.00 16.00 N ATOM 0 H ASN A 34 27.696 32.515 40.716 1.00 5.99 H new ATOM 0 HA ASN A 34 28.134 31.867 42.652 1.00 2.55 H new ATOM 0 HB2 ASN A 34 28.508 34.462 42.791 1.00 16.38 H new ATOM 0 HB3 ASN A 34 27.528 34.220 43.979 1.00 16.38 H new ATOM 0 HD21 ASN A 34 30.066 33.954 45.970 1.00 16.00 H new ATOM 0 HD22 ASN A 34 28.852 34.715 45.564 1.00 16.00 H new ATOM 262 N LEU A 35 25.343 31.616 42.611 1.00 8.40 N ATOM 263 CA LEU A 35 24.088 31.157 43.170 1.00 15.23 C ATOM 264 C LEU A 35 24.174 29.705 43.678 1.00 26.84 C ATOM 265 O LEU A 35 23.205 29.131 44.187 1.00 29.15 O ATOM 266 CB LEU A 35 23.011 31.425 42.153 1.00 8.98 C ATOM 267 CG LEU A 35 23.183 32.801 41.492 1.00 9.13 C ATOM 268 CD1 LEU A 35 22.122 32.954 40.424 1.00 12.31 C ATOM 269 CD2 LEU A 35 23.220 33.910 42.458 1.00 14.87 C ATOM 0 H LEU A 35 25.422 31.505 41.762 1.00 8.40 H new ATOM 0 HA LEU A 35 23.861 31.649 43.974 1.00 15.23 H new ATOM 0 HB2 LEU A 35 23.029 30.734 41.472 1.00 8.98 H new ATOM 0 HB3 LEU A 35 22.142 31.378 42.582 1.00 8.98 H new ATOM 0 HG LEU A 35 24.055 32.846 41.070 1.00 9.13 H new ATOM 0 HD11 LEU A 35 22.216 33.819 39.996 1.00 12.31 H new ATOM 0 HD12 LEU A 35 22.226 32.253 39.762 1.00 12.31 H new ATOM 0 HD13 LEU A 35 21.243 32.888 40.829 1.00 12.31 H new ATOM 0 HD21 LEU A 35 23.330 34.749 41.984 1.00 14.87 H new ATOM 0 HD22 LEU A 35 22.391 33.929 42.961 1.00 14.87 H new ATOM 0 HD23 LEU A 35 23.964 33.784 43.067 1.00 14.87 H new ATOM 270 N THR A 36 25.350 29.131 43.577 1.00 6.27 N ATOM 271 CA THR A 36 25.527 27.717 43.984 1.00 7.26 C ATOM 272 C THR A 36 26.664 27.564 45.000 1.00 4.77 C ATOM 273 O THR A 36 27.175 26.455 45.204 1.00 16.48 O ATOM 274 CB THR A 36 25.674 26.837 42.712 1.00 19.25 C ATOM 275 OG1 THR A 36 26.944 27.182 42.204 1.00 13.92 O ATOM 276 CG2 THR A 36 24.552 27.067 41.746 1.00 6.79 C ATOM 0 H THR A 36 26.060 29.518 43.283 1.00 6.27 H new ATOM 0 HA THR A 36 24.741 27.401 44.456 1.00 7.26 H new ATOM 0 HB THR A 36 25.618 25.886 42.896 1.00 19.25 H new ATOM 0 HG1 THR A 36 27.097 26.739 41.507 1.00 13.92 H new ATOM 0 HG21 THR A 36 24.675 26.503 40.966 1.00 6.79 H new ATOM 0 HG22 THR A 36 23.708 26.849 42.172 1.00 6.79 H new ATOM 0 HG23 THR A 36 24.545 27.998 41.474 1.00 6.79 H new ATOM 277 N LYS A 37 27.066 28.711 45.560 1.00 8.36 N ATOM 278 CA LYS A 37 28.203 28.749 46.475 1.00 18.73 C ATOM 279 C LYS A 37 28.027 27.946 47.746 1.00 16.09 C ATOM 280 O LYS A 37 28.868 27.067 48.051 1.00 11.67 O ATOM 281 CB LYS A 37 28.577 30.202 46.831 1.00 14.30 C ATOM 282 CG LYS A 37 30.019 30.278 47.441 1.00 25.08 C ATOM 283 CD LYS A 37 30.301 31.693 47.899 1.00 19.79 C ATOM 284 CE LYS A 37 31.682 31.846 48.509 1.00 40.13 C ATOM 285 NZ LYS A 37 32.701 31.502 47.441 1.00 30.04 N ATOM 0 H LYS A 37 26.693 29.473 45.421 1.00 8.36 H new ATOM 0 HA LYS A 37 28.924 28.323 45.985 1.00 18.73 H new ATOM 0 HB2 LYS A 37 28.529 30.756 46.036 1.00 14.30 H new ATOM 0 HB3 LYS A 37 27.935 30.559 47.465 1.00 14.30 H new ATOM 0 HG2 LYS A 37 30.097 29.665 48.188 1.00 25.08 H new ATOM 0 HG3 LYS A 37 30.675 30.005 46.780 1.00 25.08 H new ATOM 0 HD2 LYS A 37 30.216 32.296 47.144 1.00 19.79 H new ATOM 0 HD3 LYS A 37 29.633 31.958 48.550 1.00 19.79 H new ATOM 0 HE2 LYS A 37 31.815 32.753 48.826 1.00 40.13 H new ATOM 0 HE3 LYS A 37 31.782 31.260 49.276 1.00 40.13 H new ATOM 0 HZ1 LYS A 37 33.494 31.838 47.667 1.00 30.04 H new ATOM 0 HZ2 LYS A 37 32.765 30.618 47.365 1.00 30.04 H new ATOM 0 HZ3 LYS A 37 32.444 31.848 46.663 1.00 30.04 H new ATOM 286 N ASP A 38 26.891 28.214 48.407 1.00 9.02 N ATOM 287 CA ASP A 38 26.533 27.564 49.678 1.00 14.00 C ATOM 288 C ASP A 38 25.676 26.302 49.526 1.00 5.97 C ATOM 289 O ASP A 38 25.638 25.461 50.441 1.00 6.45 O ATOM 290 CB ASP A 38 25.757 28.558 50.543 1.00 11.32 C ATOM 291 CG ASP A 38 26.567 29.705 51.051 1.00 29.28 C ATOM 292 OD1 ASP A 38 27.678 29.399 51.560 1.00 31.67 O ATOM 293 OD2 ASP A 38 26.191 30.890 50.899 1.00 28.10 O ATOM 0 H ASP A 38 26.306 28.779 48.129 1.00 9.02 H new ATOM 0 HA ASP A 38 27.371 27.291 50.082 1.00 14.00 H new ATOM 0 HB2 ASP A 38 25.013 28.906 50.027 1.00 11.32 H new ATOM 0 HB3 ASP A 38 25.379 28.084 51.300 1.00 11.32 H new ATOM 294 N ARG A 39 24.916 26.302 48.458 1.00 4.37 N ATOM 295 CA ARG A 39 23.924 25.270 48.153 1.00 7.97 C ATOM 296 C ARG A 39 23.424 25.461 46.729 1.00 3.31 C ATOM 297 O ARG A 39 23.609 26.608 46.221 1.00 8.06 O ATOM 298 CB ARG A 39 22.815 25.423 49.221 1.00 11.55 C ATOM 299 CG ARG A 39 21.882 26.608 49.017 1.00 12.68 C ATOM 300 CD ARG A 39 20.968 26.914 50.238 1.00 12.23 C ATOM 301 NE ARG A 39 19.661 27.067 49.678 1.00 28.69 N ATOM 302 CZ ARG A 39 18.762 27.831 49.170 1.00 20.12 C ATOM 303 NH1 ARG A 39 18.748 29.131 49.017 1.00 38.32 N ATOM 304 NH2 ARG A 39 17.773 27.182 48.458 1.00 69.74 N ATOM 0 H ARG A 39 24.956 26.920 47.861 1.00 4.37 H new ATOM 0 HA ARG A 39 24.281 24.369 48.189 1.00 7.97 H new ATOM 0 HB2 ARG A 39 22.285 24.611 49.236 1.00 11.55 H new ATOM 0 HB3 ARG A 39 23.233 25.505 50.092 1.00 11.55 H new ATOM 0 HG2 ARG A 39 22.413 27.395 48.817 1.00 12.68 H new ATOM 0 HG3 ARG A 39 21.324 26.438 48.242 1.00 12.68 H new ATOM 0 HD2 ARG A 39 20.992 26.193 50.887 1.00 12.23 H new ATOM 0 HD3 ARG A 39 21.251 27.719 50.698 1.00 12.23 H new ATOM 0 HE ARG A 39 19.315 26.279 49.684 1.00 28.69 H new ATOM 0 HH11 ARG A 39 19.418 29.602 49.279 1.00 38.32 H new ATOM 0 HH12 ARG A 39 18.068 29.514 48.655 1.00 38.32 H new ATOM 0 HH21 ARG A 39 17.790 26.326 48.381 1.00 69.74 H new ATOM 0 HH22 ARG A 39 17.140 27.634 48.091 1.00 69.74 H new ATOM 305 N CYS A 40 22.735 24.467 46.221 1.00 1.48 N ATOM 306 CA CYS A 40 22.189 24.620 44.848 1.00 2.91 C ATOM 307 C CYS A 40 20.847 25.385 45.000 1.00 5.33 C ATOM 308 O CYS A 40 19.968 24.697 45.509 1.00 7.11 O ATOM 309 CB CYS A 40 21.940 23.320 44.085 1.00 10.10 C ATOM 310 SG CYS A 40 23.311 22.097 44.136 1.00 6.43 S ATOM 0 H CYS A 40 22.566 23.721 46.614 1.00 1.48 H new ATOM 0 HA CYS A 40 22.856 25.086 44.320 1.00 2.91 H new ATOM 0 HB2 CYS A 40 21.141 22.902 44.442 1.00 10.10 H new ATOM 0 HB3 CYS A 40 21.756 23.538 43.158 1.00 10.10 H new ATOM 311 N LYS A 41 20.715 26.570 44.543 1.00 6.28 N ATOM 312 CA LYS A 41 19.434 27.334 44.594 1.00 6.68 C ATOM 313 C LYS A 41 18.598 26.532 43.678 1.00 5.04 C ATOM 314 O LYS A 41 19.105 26.264 42.509 1.00 13.90 O ATOM 315 CB LYS A 41 19.603 28.749 44.238 1.00 14.25 C ATOM 316 CG LYS A 41 18.385 29.552 43.882 1.00 35.97 C ATOM 317 CD LYS A 41 18.612 31.081 43.729 1.00 23.07 C ATOM 318 CE LYS A 41 17.305 31.731 43.272 1.00 30.20 C ATOM 319 NZ LYS A 41 17.442 33.222 43.119 1.00 19.38 N ATOM 0 H LYS A 41 21.360 27.005 44.175 1.00 6.28 H new ATOM 0 HA LYS A 41 19.035 27.424 45.473 1.00 6.68 H new ATOM 0 HB2 LYS A 41 20.039 29.190 44.984 1.00 14.25 H new ATOM 0 HB3 LYS A 41 20.214 28.792 43.486 1.00 14.25 H new ATOM 0 HG2 LYS A 41 18.023 29.210 43.050 1.00 35.97 H new ATOM 0 HG3 LYS A 41 17.711 29.408 44.565 1.00 35.97 H new ATOM 0 HD2 LYS A 41 18.900 31.464 44.572 1.00 23.07 H new ATOM 0 HD3 LYS A 41 19.316 31.253 43.084 1.00 23.07 H new ATOM 0 HE2 LYS A 41 17.030 31.344 42.426 1.00 30.20 H new ATOM 0 HE3 LYS A 41 16.605 31.535 43.914 1.00 30.20 H new ATOM 0 HZ1 LYS A 41 16.732 33.624 43.475 1.00 19.38 H new ATOM 0 HZ2 LYS A 41 18.179 33.497 43.536 1.00 19.38 H new ATOM 0 HZ3 LYS A 41 17.496 33.428 42.255 1.00 19.38 H new ATOM 320 N PRO A 42 17.405 26.149 43.933 1.00 18.10 N ATOM 321 CA PRO A 42 16.553 25.308 43.170 1.00 17.57 C ATOM 322 C PRO A 42 15.991 25.843 41.848 1.00 8.48 C ATOM 323 O PRO A 42 15.788 25.002 40.933 1.00 8.43 O ATOM 324 CB PRO A 42 15.369 24.888 44.085 1.00 16.65 C ATOM 325 CG PRO A 42 15.809 25.232 45.509 1.00 32.80 C ATOM 326 CD PRO A 42 16.745 26.455 45.306 1.00 11.88 C ATOM 0 HA PRO A 42 17.126 24.580 42.884 1.00 17.57 H new ATOM 0 HB2 PRO A 42 14.558 25.363 43.846 1.00 16.65 H new ATOM 0 HB3 PRO A 42 15.179 23.941 43.998 1.00 16.65 H new ATOM 0 HG2 PRO A 42 15.052 25.450 46.075 1.00 32.80 H new ATOM 0 HG3 PRO A 42 16.273 24.491 45.929 1.00 32.80 H new ATOM 0 HD2 PRO A 42 16.251 27.289 45.291 1.00 11.88 H new ATOM 0 HD3 PRO A 42 17.403 26.528 46.015 1.00 11.88 H new ATOM 327 N VAL A 43 15.645 27.067 41.797 1.00 8.42 N ATOM 328 CA VAL A 43 15.098 27.755 40.628 1.00 7.86 C ATOM 329 C VAL A 43 15.670 29.169 40.628 1.00 4.16 C ATOM 330 O VAL A 43 15.947 29.819 41.695 1.00 5.38 O ATOM 331 CB VAL A 43 13.546 27.755 40.577 1.00 5.79 C ATOM 332 CG1 VAL A 43 12.851 26.417 40.780 1.00 11.59 C ATOM 333 CG2 VAL A 43 13.024 28.672 41.695 1.00 17.05 C ATOM 0 H VAL A 43 15.716 27.586 42.479 1.00 8.42 H new ATOM 0 HA VAL A 43 15.360 27.277 39.826 1.00 7.86 H new ATOM 0 HB VAL A 43 13.341 28.041 39.673 1.00 5.79 H new ATOM 0 HG11 VAL A 43 11.890 26.540 40.728 1.00 11.59 H new ATOM 0 HG12 VAL A 43 13.135 25.797 40.091 1.00 11.59 H new ATOM 0 HG13 VAL A 43 13.084 26.060 41.651 1.00 11.59 H new ATOM 0 HG21 VAL A 43 12.054 28.684 41.678 1.00 17.05 H new ATOM 0 HG22 VAL A 43 13.328 28.340 42.554 1.00 17.05 H new ATOM 0 HG23 VAL A 43 13.360 29.572 41.559 1.00 17.05 H new ATOM 334 N ASN A 44 15.771 29.628 39.407 1.00 7.37 N ATOM 335 CA ASN A 44 16.241 30.966 39.153 1.00 8.21 C ATOM 336 C ASN A 44 15.831 31.425 37.729 1.00 3.67 C ATOM 337 O ASN A 44 15.809 30.584 36.814 1.00 3.71 O ATOM 338 CB ASN A 44 17.791 31.081 39.407 1.00 7.73 C ATOM 339 CG ASN A 44 18.152 32.534 39.407 1.00 14.04 C ATOM 340 OD1 ASN A 44 17.587 33.298 40.272 1.00 6.97 O ATOM 341 ND2 ASN A 44 18.928 33.107 38.543 1.00 7.61 N ATOM 0 H ASN A 44 15.571 29.178 38.702 1.00 7.37 H new ATOM 0 HA ASN A 44 15.815 31.571 39.780 1.00 8.21 H new ATOM 0 HB2 ASN A 44 18.027 30.673 40.255 1.00 7.73 H new ATOM 0 HB3 ASN A 44 18.284 30.609 38.718 1.00 7.73 H new ATOM 0 HD21 ASN A 44 19.044 33.959 38.567 1.00 7.61 H new ATOM 0 HD22 ASN A 44 19.328 32.636 37.945 1.00 7.61 H new ATOM 342 N THR A 45 15.516 32.687 37.577 1.00 6.63 N ATOM 343 CA THR A 45 15.164 33.337 36.356 1.00 0.50 C ATOM 344 C THR A 45 16.146 34.522 36.102 1.00 6.66 C ATOM 345 O THR A 45 16.485 35.325 36.966 1.00 4.74 O ATOM 346 CB THR A 45 13.703 33.872 36.305 1.00 13.00 C ATOM 347 OG1 THR A 45 12.900 32.840 36.763 1.00 11.33 O ATOM 348 CG2 THR A 45 13.263 34.254 34.882 1.00 4.61 C ATOM 0 H THR A 45 15.503 33.228 38.245 1.00 6.63 H new ATOM 0 HA THR A 45 15.229 32.659 35.665 1.00 0.50 H new ATOM 0 HB THR A 45 13.633 34.676 36.843 1.00 13.00 H new ATOM 0 HG1 THR A 45 12.634 32.382 36.111 1.00 11.33 H new ATOM 0 HG21 THR A 45 12.350 34.580 34.902 1.00 4.61 H new ATOM 0 HG22 THR A 45 13.846 34.948 34.538 1.00 4.61 H new ATOM 0 HG23 THR A 45 13.315 33.475 34.307 1.00 4.61 H new ATOM 349 N PHE A 46 16.594 34.445 34.831 1.00 7.63 N ATOM 350 CA PHE A 46 17.503 35.516 34.322 1.00 3.36 C ATOM 351 C PHE A 46 16.698 36.318 33.305 1.00 4.65 C ATOM 352 O PHE A 46 15.981 35.669 32.492 1.00 5.89 O ATOM 353 CB PHE A 46 18.789 34.942 33.661 1.00 7.38 C ATOM 354 CG PHE A 46 19.745 34.407 34.678 1.00 1.18 C ATOM 355 CD1 PHE A 46 20.553 35.325 35.390 1.00 4.76 C ATOM 356 CD2 PHE A 46 19.924 33.031 34.882 1.00 1.30 C ATOM 357 CE1 PHE A 46 21.509 34.866 36.305 1.00 11.32 C ATOM 358 CE2 PHE A 46 20.851 32.572 35.797 1.00 5.58 C ATOM 359 CZ PHE A 46 21.643 33.489 36.560 1.00 13.92 C ATOM 0 H PHE A 46 16.401 33.821 34.271 1.00 7.63 H new ATOM 0 HA PHE A 46 17.807 36.066 35.060 1.00 3.36 H new ATOM 0 HB2 PHE A 46 18.547 34.236 33.042 1.00 7.38 H new ATOM 0 HB3 PHE A 46 19.224 35.637 33.142 1.00 7.38 H new ATOM 0 HD1 PHE A 46 20.449 36.238 35.250 1.00 4.76 H new ATOM 0 HD2 PHE A 46 19.414 32.423 34.397 1.00 1.30 H new ATOM 0 HE1 PHE A 46 22.057 35.474 36.746 1.00 11.32 H new ATOM 0 HE2 PHE A 46 20.962 31.657 35.919 1.00 5.58 H new ATOM 0 HZ PHE A 46 22.233 33.181 37.210 1.00 13.92 H new ATOM 360 N VAL A 47 16.818 37.618 33.305 1.00 3.04 N ATOM 361 CA VAL A 47 16.133 38.498 32.390 1.00 2.70 C ATOM 362 C VAL A 47 17.166 39.148 31.373 1.00 2.03 C ATOM 363 O VAL A 47 18.112 39.797 31.831 1.00 3.21 O ATOM 364 CB VAL A 47 15.267 39.530 33.153 1.00 8.72 C ATOM 365 CG1 VAL A 47 14.386 40.333 32.187 1.00 11.30 C ATOM 366 CG2 VAL A 47 14.414 38.880 34.272 1.00 1.04 C ATOM 0 H VAL A 47 17.323 38.036 33.862 1.00 3.04 H new ATOM 0 HA VAL A 47 15.509 37.985 31.853 1.00 2.70 H new ATOM 0 HB VAL A 47 15.881 40.142 33.588 1.00 8.72 H new ATOM 0 HG11 VAL A 47 13.854 40.971 32.688 1.00 11.30 H new ATOM 0 HG12 VAL A 47 14.948 40.807 31.554 1.00 11.30 H new ATOM 0 HG13 VAL A 47 13.798 39.729 31.707 1.00 11.30 H new ATOM 0 HG21 VAL A 47 13.891 39.564 34.719 1.00 1.04 H new ATOM 0 HG22 VAL A 47 13.818 38.221 33.883 1.00 1.04 H new ATOM 0 HG23 VAL A 47 14.998 38.448 34.915 1.00 1.04 H new ATOM 367 N HIS A 48 16.815 38.918 30.153 1.00 6.24 N ATOM 368 CA HIS A 48 17.654 39.415 28.983 1.00 2.19 C ATOM 369 C HIS A 48 17.176 40.715 28.475 1.00 3.31 C ATOM 370 O HIS A 48 16.643 40.753 27.356 1.00 6.52 O ATOM 371 CB HIS A 48 17.483 38.306 27.865 1.00 2.98 C ATOM 372 CG HIS A 48 18.006 37.007 28.322 1.00 3.62 C ATOM 373 ND1 HIS A 48 19.362 36.854 28.424 1.00 7.39 N ATOM 374 CD2 HIS A 48 17.401 35.860 28.627 1.00 5.29 C ATOM 375 CE1 HIS A 48 19.585 35.592 28.780 1.00 13.35 C ATOM 376 NE2 HIS A 48 18.408 34.942 28.983 1.00 8.92 N ATOM 0 H HIS A 48 16.108 38.483 29.928 1.00 6.24 H new ATOM 0 HA HIS A 48 18.577 39.551 29.248 1.00 2.19 H new ATOM 0 HB2 HIS A 48 16.545 38.217 27.634 1.00 2.98 H new ATOM 0 HB3 HIS A 48 17.949 38.580 27.059 1.00 2.98 H new ATOM 0 HD2 HIS A 48 16.486 35.696 28.608 1.00 5.29 H new ATOM 0 HE1 HIS A 48 20.427 35.208 28.876 1.00 13.35 H new ATOM 0 HE2 HIS A 48 18.301 34.138 29.269 1.00 8.92 H new ATOM 377 N GLU A 49 17.335 41.747 29.238 1.00 8.50 N ATOM 378 CA GLU A 49 16.916 43.123 28.933 1.00 11.30 C ATOM 379 C GLU A 49 17.860 44.079 29.594 1.00 1.36 C ATOM 380 O GLU A 49 18.621 43.697 30.458 1.00 5.39 O ATOM 381 CB GLU A 49 15.450 43.468 29.390 1.00 2.97 C ATOM 382 CG GLU A 49 14.340 42.550 28.882 1.00 2.15 C ATOM 383 CD GLU A 49 13.914 42.474 27.509 1.00 3.86 C ATOM 384 OE1 GLU A 49 14.252 43.506 26.797 1.00 9.68 O ATOM 385 OE2 GLU A 49 13.362 41.518 26.949 1.00 6.13 O ATOM 0 H GLU A 49 17.714 41.685 30.007 1.00 8.50 H new ATOM 0 HA GLU A 49 16.933 43.203 27.966 1.00 11.30 H new ATOM 0 HB2 GLU A 49 15.426 43.464 30.360 1.00 2.97 H new ATOM 0 HB3 GLU A 49 15.249 44.373 29.105 1.00 2.97 H new ATOM 0 HG2 GLU A 49 14.599 41.650 29.134 1.00 2.15 H new ATOM 0 HG3 GLU A 49 13.549 42.773 29.398 1.00 2.15 H new ATOM 386 N SER A 50 17.743 45.341 29.187 1.00 3.58 N ATOM 387 CA SER A 50 18.551 46.411 29.797 1.00 0.50 C ATOM 388 C SER A 50 18.071 46.641 31.272 1.00 11.32 C ATOM 389 O SER A 50 16.879 46.411 31.526 1.00 6.25 O ATOM 390 CB SER A 50 18.421 47.787 29.136 1.00 2.80 C ATOM 391 OG SER A 50 17.035 48.170 29.136 1.00 8.19 O ATOM 0 H SER A 50 17.209 45.603 28.566 1.00 3.58 H new ATOM 0 HA SER A 50 19.465 46.101 29.704 1.00 0.50 H new ATOM 0 HB2 SER A 50 18.951 48.442 29.617 1.00 2.80 H new ATOM 0 HB3 SER A 50 18.762 47.757 28.228 1.00 2.80 H new ATOM 0 HG SER A 50 16.953 48.925 28.777 1.00 8.19 H new ATOM 392 N LEU A 51 18.984 47.138 32.034 1.00 8.42 N ATOM 393 CA LEU A 51 18.640 47.482 33.458 1.00 8.07 C ATOM 394 C LEU A 51 17.435 48.476 33.458 1.00 18.42 C ATOM 395 O LEU A 51 16.480 48.284 34.119 1.00 10.19 O ATOM 396 CB LEU A 51 19.780 48.093 34.170 1.00 6.03 C ATOM 397 CG LEU A 51 20.937 47.214 34.526 1.00 7.72 C ATOM 398 CD1 LEU A 51 22.062 48.093 35.085 1.00 13.40 C ATOM 399 CD2 LEU A 51 20.552 46.105 35.492 1.00 20.88 C ATOM 0 H LEU A 51 19.796 47.296 31.798 1.00 8.42 H new ATOM 0 HA LEU A 51 18.411 46.661 33.922 1.00 8.07 H new ATOM 0 HB2 LEU A 51 20.116 48.821 33.624 1.00 6.03 H new ATOM 0 HB3 LEU A 51 19.442 48.486 34.990 1.00 6.03 H new ATOM 0 HG LEU A 51 21.245 46.761 33.725 1.00 7.72 H new ATOM 0 HD11 LEU A 51 22.821 47.537 35.321 1.00 13.40 H new ATOM 0 HD12 LEU A 51 22.332 48.739 34.414 1.00 13.40 H new ATOM 0 HD13 LEU A 51 21.746 48.560 35.874 1.00 13.40 H new ATOM 0 HD21 LEU A 51 21.332 45.564 35.692 1.00 20.88 H new ATOM 0 HD22 LEU A 51 20.210 46.494 36.312 1.00 20.88 H new ATOM 0 HD23 LEU A 51 19.868 45.548 35.089 1.00 20.88 H new ATOM 400 N ALA A 52 17.517 49.546 32.695 1.00 2.63 N ATOM 401 CA ALA A 52 16.493 50.540 32.594 1.00 4.01 C ATOM 402 C ALA A 52 15.124 49.928 32.339 1.00 7.76 C ATOM 403 O ALA A 52 14.169 50.349 33.000 1.00 5.77 O ATOM 404 CB ALA A 52 16.894 51.572 31.475 1.00 10.39 C ATOM 0 H ALA A 52 18.202 49.714 32.204 1.00 2.63 H new ATOM 0 HA ALA A 52 16.419 51.004 33.443 1.00 4.01 H new ATOM 0 HB1 ALA A 52 16.205 52.251 31.399 1.00 10.39 H new ATOM 0 HB2 ALA A 52 17.737 51.992 31.709 1.00 10.39 H new ATOM 0 HB3 ALA A 52 16.988 51.110 30.627 1.00 10.39 H new ATOM 405 N ASP A 53 14.966 49.049 31.373 1.00 3.15 N ATOM 406 CA ASP A 53 13.688 48.399 31.017 1.00 0.98 C ATOM 407 C ASP A 53 13.075 47.558 32.238 1.00 3.65 C ATOM 408 O ASP A 53 11.899 47.558 32.339 1.00 9.88 O ATOM 409 CB ASP A 53 13.819 47.520 29.797 1.00 5.69 C ATOM 410 CG ASP A 53 13.801 48.323 28.475 1.00 13.73 C ATOM 411 OD1 ASP A 53 13.756 49.546 28.424 1.00 7.40 O ATOM 412 OD2 ASP A 53 13.794 47.558 27.509 1.00 14.19 O ATOM 0 H ASP A 53 15.619 48.793 30.876 1.00 3.15 H new ATOM 0 HA ASP A 53 13.073 49.119 30.808 1.00 0.98 H new ATOM 0 HB2 ASP A 53 14.646 47.017 29.854 1.00 5.69 H new ATOM 0 HB3 ASP A 53 13.094 46.875 29.789 1.00 5.69 H new ATOM 413 N VAL A 54 13.973 46.946 32.950 1.00 0.71 N ATOM 414 CA VAL A 54 13.556 46.105 34.119 1.00 1.57 C ATOM 415 C VAL A 54 13.245 47.099 35.238 1.00 6.99 C ATOM 416 O VAL A 54 12.169 46.870 35.899 1.00 4.75 O ATOM 417 CB VAL A 54 14.533 44.997 34.475 1.00 5.63 C ATOM 418 CG1 VAL A 54 14.235 44.270 35.746 1.00 5.47 C ATOM 419 CG2 VAL A 54 14.618 44.003 33.305 1.00 3.61 C ATOM 0 H VAL A 54 14.820 46.980 32.807 1.00 0.71 H new ATOM 0 HA VAL A 54 12.769 45.576 33.914 1.00 1.57 H new ATOM 0 HB VAL A 54 15.385 45.434 34.631 1.00 5.63 H new ATOM 0 HG11 VAL A 54 14.906 43.585 35.892 1.00 5.47 H new ATOM 0 HG12 VAL A 54 14.246 44.896 36.487 1.00 5.47 H new ATOM 0 HG13 VAL A 54 13.360 43.857 35.685 1.00 5.47 H new ATOM 0 HG21 VAL A 54 15.241 43.293 33.528 1.00 3.61 H new ATOM 0 HG22 VAL A 54 13.741 43.623 33.139 1.00 3.61 H new ATOM 0 HG23 VAL A 54 14.926 44.465 32.509 1.00 3.61 H new ATOM 420 N GLN A 55 14.072 48.055 35.492 1.00 7.08 N ATOM 421 CA GLN A 55 13.761 49.049 36.611 1.00 2.99 C ATOM 422 C GLN A 55 12.437 49.737 36.305 1.00 6.23 C ATOM 423 O GLN A 55 11.781 50.120 37.272 1.00 12.52 O ATOM 424 CB GLN A 55 14.891 50.081 36.661 1.00 1.02 C ATOM 425 CG GLN A 55 16.136 49.508 37.322 1.00 2.41 C ATOM 426 CD GLN A 55 17.343 50.349 37.119 1.00 0.55 C ATOM 427 OE1 GLN A 55 17.289 51.381 36.407 1.00 10.59 O ATOM 428 NE2 GLN A 55 18.424 49.814 37.628 1.00 7.12 N ATOM 0 H GLN A 55 14.811 48.191 35.074 1.00 7.08 H new ATOM 0 HA GLN A 55 13.692 48.597 37.467 1.00 2.99 H new ATOM 0 HB2 GLN A 55 15.105 50.372 35.761 1.00 1.02 H new ATOM 0 HB3 GLN A 55 14.595 50.865 37.150 1.00 1.02 H new ATOM 0 HG2 GLN A 55 15.974 49.409 38.273 1.00 2.41 H new ATOM 0 HG3 GLN A 55 16.304 48.620 36.969 1.00 2.41 H new ATOM 0 HE21 GLN A 55 18.367 49.102 38.107 1.00 7.12 H new ATOM 0 HE22 GLN A 55 19.191 50.175 37.484 1.00 7.12 H new ATOM 429 N ALA A 56 12.026 49.928 35.085 1.00 5.69 N ATOM 430 CA ALA A 56 10.824 50.617 34.678 1.00 4.55 C ATOM 431 C ALA A 56 9.569 49.814 35.136 1.00 12.36 C ATOM 432 O ALA A 56 8.438 50.387 35.187 1.00 7.14 O ATOM 433 CB ALA A 56 10.731 50.846 33.204 1.00 4.49 C ATOM 0 H ALA A 56 12.474 49.637 34.411 1.00 5.69 H new ATOM 0 HA ALA A 56 10.860 51.488 35.104 1.00 4.55 H new ATOM 0 HB1 ALA A 56 9.904 51.311 33.000 1.00 4.49 H new ATOM 0 HB2 ALA A 56 11.484 51.383 32.912 1.00 4.49 H new ATOM 0 HB3 ALA A 56 10.744 49.993 32.742 1.00 4.49 H new ATOM 434 N VAL A 57 9.777 48.514 35.441 1.00 6.12 N ATOM 435 CA VAL A 57 8.584 47.673 35.797 1.00 7.06 C ATOM 436 C VAL A 57 7.969 48.208 37.119 1.00 8.01 C ATOM 437 O VAL A 57 6.732 48.093 37.322 1.00 5.68 O ATOM 438 CB VAL A 57 8.961 46.220 35.746 1.00 3.39 C ATOM 439 CG1 VAL A 57 7.691 45.379 36.255 1.00 7.38 C ATOM 440 CG2 VAL A 57 9.424 45.647 34.424 1.00 8.21 C ATOM 0 H VAL A 57 10.539 48.115 35.451 1.00 6.12 H new ATOM 0 HA VAL A 57 7.863 47.743 35.152 1.00 7.06 H new ATOM 0 HB VAL A 57 9.750 46.150 36.306 1.00 3.39 H new ATOM 0 HG11 VAL A 57 7.900 44.432 36.235 1.00 7.38 H new ATOM 0 HG12 VAL A 57 7.471 45.642 37.162 1.00 7.38 H new ATOM 0 HG13 VAL A 57 6.933 45.554 35.676 1.00 7.38 H new ATOM 0 HG21 VAL A 57 9.633 44.706 34.534 1.00 8.21 H new ATOM 0 HG22 VAL A 57 8.720 45.746 33.764 1.00 8.21 H new ATOM 0 HG23 VAL A 57 10.216 46.121 34.125 1.00 8.21 H new ATOM 441 N CYS A 58 8.837 48.743 37.933 1.00 3.51 N ATOM 442 CA CYS A 58 8.403 49.278 39.255 1.00 8.40 C ATOM 443 C CYS A 58 7.365 50.349 39.102 1.00 3.80 C ATOM 444 O CYS A 58 6.858 50.884 40.170 1.00 11.32 O ATOM 445 CB CYS A 58 9.617 49.775 40.017 1.00 1.17 C ATOM 446 SG CYS A 58 10.788 48.514 40.526 1.00 6.53 S ATOM 0 H CYS A 58 9.678 48.819 37.769 1.00 3.51 H new ATOM 0 HA CYS A 58 7.986 48.565 39.763 1.00 8.40 H new ATOM 0 HB2 CYS A 58 10.083 50.421 39.464 1.00 1.17 H new ATOM 0 HB3 CYS A 58 9.311 50.247 40.807 1.00 1.17 H new ATOM 447 N SER A 59 7.074 50.769 37.882 1.00 8.29 N ATOM 448 CA SER A 59 6.111 51.878 37.678 1.00 4.68 C ATOM 449 C SER A 59 5.004 51.419 36.763 1.00 5.78 C ATOM 450 O SER A 59 4.270 52.260 36.204 1.00 14.36 O ATOM 451 CB SER A 59 6.884 53.140 37.221 1.00 7.72 C ATOM 452 OG SER A 59 7.152 53.025 35.848 1.00 28.07 O ATOM 0 H SER A 59 7.409 50.442 37.161 1.00 8.29 H new ATOM 0 HA SER A 59 5.665 52.134 38.501 1.00 4.68 H new ATOM 0 HB2 SER A 59 6.361 53.938 37.397 1.00 7.72 H new ATOM 0 HB3 SER A 59 7.711 53.228 37.720 1.00 7.72 H new ATOM 0 HG SER A 59 7.523 52.287 35.696 1.00 28.07 H new ATOM 453 N GLN A 60 4.930 50.081 36.611 1.00 4.03 N ATOM 454 CA GLN A 60 3.897 49.508 35.746 1.00 7.61 C ATOM 455 C GLN A 60 2.775 48.973 36.560 1.00 5.53 C ATOM 456 O GLN A 60 2.405 49.623 37.577 1.00 6.87 O ATOM 457 CB GLN A 60 4.584 48.476 34.780 1.00 1.92 C ATOM 458 CG GLN A 60 5.466 49.393 33.865 1.00 5.55 C ATOM 459 CD GLN A 60 6.333 48.667 32.899 1.00 13.69 C ATOM 460 OE1 GLN A 60 6.185 47.482 32.594 1.00 8.77 O ATOM 461 NE2 GLN A 60 7.302 49.431 32.390 1.00 12.05 N ATOM 0 H GLN A 60 5.452 49.512 36.989 1.00 4.03 H new ATOM 0 HA GLN A 60 3.481 50.180 35.183 1.00 7.61 H new ATOM 0 HB2 GLN A 60 5.120 47.830 35.266 1.00 1.92 H new ATOM 0 HB3 GLN A 60 3.932 47.975 34.266 1.00 1.92 H new ATOM 0 HG2 GLN A 60 4.883 49.990 33.371 1.00 5.55 H new ATOM 0 HG3 GLN A 60 6.027 49.947 34.430 1.00 5.55 H new ATOM 0 HE21 GLN A 60 7.371 50.254 32.629 1.00 12.05 H new ATOM 0 HE22 GLN A 60 7.857 49.100 31.823 1.00 12.05 H new ATOM 462 N LYS A 61 2.190 47.826 36.204 1.00 8.31 N ATOM 463 CA LYS A 61 0.979 47.329 36.916 1.00 10.74 C ATOM 464 C LYS A 61 1.223 46.717 38.289 1.00 1.85 C ATOM 465 O LYS A 61 1.855 45.723 38.390 1.00 6.05 O ATOM 466 CB LYS A 61 0.248 46.335 36.051 1.00 10.06 C ATOM 467 CG LYS A 61 -1.097 45.800 36.407 1.00 13.09 C ATOM 468 CD LYS A 61 -2.214 46.832 36.712 1.00 20.64 C ATOM 469 CE LYS A 61 -3.514 46.144 37.119 1.00 15.26 C ATOM 470 NZ LYS A 61 -4.643 47.099 36.966 1.00 15.49 N ATOM 0 H LYS A 61 2.465 47.320 35.565 1.00 8.31 H new ATOM 0 HA LYS A 61 0.447 48.123 37.080 1.00 10.74 H new ATOM 0 HB2 LYS A 61 0.162 46.741 35.174 1.00 10.06 H new ATOM 0 HB3 LYS A 61 0.834 45.569 35.953 1.00 10.06 H new ATOM 0 HG2 LYS A 61 -1.399 45.237 35.677 1.00 13.09 H new ATOM 0 HG3 LYS A 61 -0.997 45.228 37.184 1.00 13.09 H new ATOM 0 HD2 LYS A 61 -1.924 47.424 37.423 1.00 20.64 H new ATOM 0 HD3 LYS A 61 -2.369 47.383 35.929 1.00 20.64 H new ATOM 0 HE2 LYS A 61 -3.663 45.359 36.568 1.00 15.26 H new ATOM 0 HE3 LYS A 61 -3.457 45.839 38.038 1.00 15.26 H new ATOM 0 HZ1 LYS A 61 -5.403 46.701 37.203 1.00 15.49 H new ATOM 0 HZ2 LYS A 61 -4.505 47.808 37.486 1.00 15.49 H new ATOM 0 HZ3 LYS A 61 -4.698 47.361 36.117 1.00 15.49 H new ATOM 471 N ASN A 62 0.672 47.443 39.306 1.00 5.96 N ATOM 472 CA ASN A 62 0.766 46.946 40.678 1.00 2.77 C ATOM 473 C ASN A 62 -0.095 45.723 40.831 1.00 1.77 C ATOM 474 O ASN A 62 -1.237 45.723 40.424 1.00 7.88 O ATOM 475 CB ASN A 62 0.350 48.093 41.645 1.00 2.97 C ATOM 476 CG ASN A 62 0.670 47.826 43.068 1.00 5.65 C ATOM 477 OD1 ASN A 62 -0.105 48.437 43.831 1.00 9.29 O ATOM 478 ND2 ASN A 62 1.675 47.138 43.526 1.00 7.36 N ATOM 0 H ASN A 62 0.260 48.192 39.212 1.00 5.96 H new ATOM 0 HA ASN A 62 1.674 46.682 40.894 1.00 2.77 H new ATOM 0 HB2 ASN A 62 0.793 48.911 41.371 1.00 2.97 H new ATOM 0 HB3 ASN A 62 -0.604 48.245 41.560 1.00 2.97 H new ATOM 0 HD21 ASN A 62 1.817 47.097 44.373 1.00 7.36 H new ATOM 0 HD22 ASN A 62 2.197 46.724 42.982 1.00 7.36 H new ATOM 479 N VAL A 63 0.488 44.691 41.390 1.00 5.65 N ATOM 480 CA VAL A 63 -0.177 43.353 41.594 1.00 9.96 C ATOM 481 C VAL A 63 0.355 42.856 42.916 1.00 4.36 C ATOM 482 O VAL A 63 1.405 43.276 43.424 1.00 6.79 O ATOM 483 CB VAL A 63 0.045 42.435 40.373 1.00 7.45 C ATOM 484 CG1 VAL A 63 -0.336 43.085 39.051 1.00 12.26 C ATOM 485 CG2 VAL A 63 1.432 41.862 40.272 1.00 11.43 C ATOM 0 H VAL A 63 1.298 44.715 41.679 1.00 5.65 H new ATOM 0 HA VAL A 63 -1.145 43.391 41.646 1.00 9.96 H new ATOM 0 HB VAL A 63 -0.563 41.697 40.540 1.00 7.45 H new ATOM 0 HG11 VAL A 63 -0.175 42.462 38.325 1.00 12.26 H new ATOM 0 HG12 VAL A 63 -1.276 43.325 39.067 1.00 12.26 H new ATOM 0 HG13 VAL A 63 0.199 43.883 38.916 1.00 12.26 H new ATOM 0 HG21 VAL A 63 1.493 41.299 39.484 1.00 11.43 H new ATOM 0 HG22 VAL A 63 2.076 42.584 40.204 1.00 11.43 H new ATOM 0 HG23 VAL A 63 1.622 41.333 41.062 1.00 11.43 H new ATOM 486 N ALA A 64 -0.374 41.938 43.526 1.00 6.01 N ATOM 487 CA ALA A 64 0.082 41.327 44.797 1.00 8.43 C ATOM 488 C ALA A 64 1.170 40.256 44.492 1.00 2.98 C ATOM 489 O ALA A 64 0.953 39.606 43.424 1.00 6.89 O ATOM 490 CB ALA A 64 -1.069 40.638 45.509 1.00 8.23 C ATOM 0 H ALA A 64 -1.130 41.647 43.237 1.00 6.01 H new ATOM 0 HA ALA A 64 0.436 42.032 45.362 1.00 8.43 H new ATOM 0 HB1 ALA A 64 -0.749 40.246 46.337 1.00 8.23 H new ATOM 0 HB2 ALA A 64 -1.763 41.287 45.706 1.00 8.23 H new ATOM 0 HB3 ALA A 64 -1.431 39.941 44.940 1.00 8.23 H new ATOM 491 N CYS A 65 2.142 40.256 45.356 1.00 2.48 N ATOM 492 CA CYS A 65 3.198 39.224 45.255 1.00 3.06 C ATOM 493 C CYS A 65 2.637 37.886 45.611 1.00 12.78 C ATOM 494 O CYS A 65 1.592 37.809 46.272 1.00 6.23 O ATOM 495 CB CYS A 65 4.350 39.568 46.221 1.00 5.49 C ATOM 496 SG CYS A 65 5.059 41.174 46.068 1.00 7.98 S ATOM 0 H CYS A 65 2.232 40.817 46.001 1.00 2.48 H new ATOM 0 HA CYS A 65 3.532 39.200 44.345 1.00 3.06 H new ATOM 0 HB2 CYS A 65 4.024 39.466 47.129 1.00 5.49 H new ATOM 0 HB3 CYS A 65 5.055 38.913 46.097 1.00 5.49 H new ATOM 497 N LYS A 66 3.288 36.777 45.255 1.00 4.55 N ATOM 498 CA LYS A 66 2.848 35.439 45.611 1.00 5.10 C ATOM 499 C LYS A 66 2.578 35.401 47.187 1.00 10.52 C ATOM 500 O LYS A 66 1.596 34.675 47.543 1.00 10.01 O ATOM 501 CB LYS A 66 3.845 34.369 45.306 1.00 7.58 C ATOM 502 CG LYS A 66 3.904 34.101 43.729 1.00 7.25 C ATOM 503 CD LYS A 66 5.051 33.145 43.526 1.00 15.84 C ATOM 504 CE LYS A 66 5.124 32.610 42.102 1.00 24.36 C ATOM 505 NZ LYS A 66 6.346 31.731 41.950 1.00 44.42 N ATOM 0 H LYS A 66 4.012 36.788 44.791 1.00 4.55 H new ATOM 0 HA LYS A 66 2.056 35.260 45.081 1.00 5.10 H new ATOM 0 HB2 LYS A 66 4.721 34.632 45.629 1.00 7.58 H new ATOM 0 HB3 LYS A 66 3.605 33.552 45.771 1.00 7.58 H new ATOM 0 HG2 LYS A 66 3.071 33.721 43.408 1.00 7.25 H new ATOM 0 HG3 LYS A 66 4.046 34.926 43.240 1.00 7.25 H new ATOM 0 HD2 LYS A 66 5.883 33.594 43.742 1.00 15.84 H new ATOM 0 HD3 LYS A 66 4.961 32.402 44.143 1.00 15.84 H new ATOM 0 HE2 LYS A 66 4.323 32.104 41.896 1.00 24.36 H new ATOM 0 HE3 LYS A 66 5.164 33.346 41.472 1.00 24.36 H new ATOM 0 HZ1 LYS A 66 6.386 31.420 41.117 1.00 44.42 H new ATOM 0 HZ2 LYS A 66 7.078 32.207 42.124 1.00 44.42 H new ATOM 0 HZ3 LYS A 66 6.294 31.049 42.519 1.00 44.42 H new ATOM 506 N ASN A 67 3.461 35.936 47.950 1.00 2.81 N ATOM 507 CA ASN A 67 3.267 35.898 49.475 1.00 4.53 C ATOM 508 C ASN A 67 2.268 36.930 49.984 1.00 14.53 C ATOM 509 O ASN A 67 2.182 37.007 51.255 1.00 6.93 O ATOM 510 CB ASN A 67 4.617 36.051 50.187 1.00 13.79 C ATOM 511 CG ASN A 67 5.099 37.504 50.187 1.00 13.65 C ATOM 512 OD1 ASN A 67 4.669 38.383 49.424 1.00 8.52 O ATOM 513 ND2 ASN A 67 5.935 37.848 51.204 1.00 26.17 N ATOM 0 H ASN A 67 4.177 36.328 47.678 1.00 2.81 H new ATOM 0 HA ASN A 67 2.887 35.030 49.684 1.00 4.53 H new ATOM 0 HB2 ASN A 67 4.538 35.737 51.101 1.00 13.79 H new ATOM 0 HB3 ASN A 67 5.278 35.491 49.751 1.00 13.79 H new ATOM 0 HD21 ASN A 67 6.162 38.670 51.315 1.00 26.17 H new ATOM 0 HD22 ASN A 67 6.236 37.243 51.736 1.00 26.17 H new ATOM 514 N GLY A 68 1.612 37.695 49.170 1.00 9.76 N ATOM 515 CA GLY A 68 0.598 38.651 49.628 1.00 7.18 C ATOM 516 C GLY A 68 1.035 40.103 49.678 1.00 3.92 C ATOM 517 O GLY A 68 0.162 40.944 49.577 1.00 7.82 O ATOM 0 H GLY A 68 1.728 37.691 48.318 1.00 9.76 H new ATOM 0 HA2 GLY A 68 -0.174 38.583 49.044 1.00 7.18 H new ATOM 0 HA3 GLY A 68 0.307 38.388 50.515 1.00 7.18 H new ATOM 518 N GLN A 69 2.314 40.333 49.831 1.00 3.71 N ATOM 519 CA GLN A 69 2.903 41.671 49.780 1.00 11.44 C ATOM 520 C GLN A 69 2.310 42.435 48.560 1.00 6.00 C ATOM 521 O GLN A 69 1.942 41.824 47.594 1.00 3.88 O ATOM 522 CB GLN A 69 4.411 41.747 49.678 1.00 3.45 C ATOM 523 CG GLN A 69 5.138 41.403 50.950 1.00 7.98 C ATOM 524 CD GLN A 69 6.647 41.365 50.746 1.00 14.28 C ATOM 525 OE1 GLN A 69 7.289 40.562 51.407 1.00 14.33 O ATOM 526 NE2 GLN A 69 7.167 42.206 49.831 1.00 3.13 N ATOM 0 H GLN A 69 2.889 39.709 49.971 1.00 3.71 H new ATOM 0 HA GLN A 69 2.679 42.064 50.638 1.00 11.44 H new ATOM 0 HB2 GLN A 69 4.707 41.146 48.976 1.00 3.45 H new ATOM 0 HB3 GLN A 69 4.661 42.644 49.408 1.00 3.45 H new ATOM 0 HG2 GLN A 69 4.920 42.056 51.634 1.00 7.98 H new ATOM 0 HG3 GLN A 69 4.833 40.541 51.274 1.00 7.98 H new ATOM 0 HE21 GLN A 69 6.653 42.746 49.402 1.00 3.13 H new ATOM 0 HE22 GLN A 69 8.013 42.203 49.676 1.00 3.13 H new ATOM 527 N THR A 70 2.264 43.735 48.712 1.00 4.40 N ATOM 528 CA THR A 70 1.654 44.614 47.746 1.00 1.37 C ATOM 529 C THR A 70 2.610 45.494 46.984 1.00 0.66 C ATOM 530 O THR A 70 2.164 46.411 46.272 1.00 5.21 O ATOM 531 CB THR A 70 0.635 45.188 48.814 1.00 15.96 C ATOM 532 OG1 THR A 70 -0.656 44.882 48.306 1.00 24.48 O ATOM 533 CG2 THR A 70 0.962 46.449 49.424 1.00 0.50 C ATOM 0 H THR A 70 2.593 44.143 49.394 1.00 4.40 H new ATOM 0 HA THR A 70 1.250 44.285 46.928 1.00 1.37 H new ATOM 0 HB THR A 70 0.689 44.761 49.683 1.00 15.96 H new ATOM 0 HG1 THR A 70 -1.241 45.165 48.838 1.00 24.48 H new ATOM 0 HG21 THR A 70 0.267 46.693 50.055 1.00 0.50 H new ATOM 0 HG22 THR A 70 1.809 46.373 49.890 1.00 0.50 H new ATOM 0 HG23 THR A 70 1.030 47.132 48.739 1.00 0.50 H new ATOM 534 N ASN A 71 3.890 45.226 47.136 1.00 5.50 N ATOM 535 CA ASN A 71 4.876 46.067 46.373 1.00 4.74 C ATOM 536 C ASN A 71 5.384 45.303 45.102 1.00 9.22 C ATOM 537 O ASN A 71 6.548 45.494 44.746 1.00 6.57 O ATOM 538 CB ASN A 71 6.059 46.411 47.238 1.00 1.89 C ATOM 539 CG ASN A 71 6.793 45.226 47.797 1.00 1.84 C ATOM 540 OD1 ASN A 71 6.217 44.194 48.102 1.00 8.27 O ATOM 541 ND2 ASN A 71 8.148 45.341 47.899 1.00 7.09 N ATOM 0 H ASN A 71 4.221 44.609 47.635 1.00 5.50 H new ATOM 0 HA ASN A 71 4.424 46.882 46.103 1.00 4.74 H new ATOM 0 HB2 ASN A 71 6.680 46.945 46.718 1.00 1.89 H new ATOM 0 HB3 ASN A 71 5.756 46.965 47.974 1.00 1.89 H new ATOM 0 HD21 ASN A 71 8.616 44.678 48.183 1.00 7.09 H new ATOM 0 HD22 ASN A 71 8.535 46.077 47.679 1.00 7.09 H new ATOM 542 N CYS A 72 4.515 44.500 44.492 1.00 3.37 N ATOM 543 CA CYS A 72 4.918 43.773 43.272 1.00 5.05 C ATOM 544 C CYS A 72 4.356 44.500 42.051 1.00 12.66 C ATOM 545 O CYS A 72 3.330 45.264 42.153 1.00 7.19 O ATOM 546 CB CYS A 72 4.526 42.321 43.272 1.00 7.15 C ATOM 547 SG CYS A 72 5.724 41.212 44.085 1.00 5.31 S ATOM 0 H CYS A 72 3.708 44.360 44.753 1.00 3.37 H new ATOM 0 HA CYS A 72 5.888 43.770 43.243 1.00 5.05 H new ATOM 0 HB2 CYS A 72 3.667 42.230 43.714 1.00 7.15 H new ATOM 0 HB3 CYS A 72 4.405 42.031 42.354 1.00 7.15 H new ATOM 548 N TYR A 73 5.058 44.309 40.933 1.00 2.57 N ATOM 549 CA TYR A 73 4.617 44.958 39.712 1.00 0.50 C ATOM 550 C TYR A 73 4.883 43.964 38.543 1.00 3.60 C ATOM 551 O TYR A 73 5.938 43.315 38.543 1.00 4.50 O ATOM 552 CB TYR A 73 5.373 46.258 39.407 1.00 2.41 C ATOM 553 CG TYR A 73 5.152 47.291 40.526 1.00 2.22 C ATOM 554 CD1 TYR A 73 5.926 47.176 41.645 1.00 2.60 C ATOM 555 CD2 TYR A 73 4.174 48.284 40.373 1.00 8.46 C ATOM 556 CE1 TYR A 73 5.706 48.017 42.763 1.00 8.12 C ATOM 557 CE2 TYR A 73 3.953 49.164 41.492 1.00 4.82 C ATOM 558 CZ TYR A 73 4.727 49.011 42.611 1.00 8.93 C ATOM 559 OH TYR A 73 4.627 49.814 43.729 1.00 16.09 O ATOM 0 H TYR A 73 5.766 43.825 40.865 1.00 2.57 H new ATOM 0 HA TYR A 73 3.681 45.189 39.817 1.00 0.50 H new ATOM 0 HB2 TYR A 73 6.321 46.072 39.314 1.00 2.41 H new ATOM 0 HB3 TYR A 73 5.071 46.622 38.560 1.00 2.41 H new ATOM 0 HD1 TYR A 73 6.604 46.540 41.673 1.00 2.60 H new ATOM 0 HD2 TYR A 73 3.689 48.371 39.584 1.00 8.46 H new ATOM 0 HE1 TYR A 73 6.184 47.916 43.554 1.00 8.12 H new ATOM 0 HE2 TYR A 73 3.298 49.823 41.455 1.00 4.82 H new ATOM 0 HH TYR A 73 4.035 50.396 43.604 1.00 16.09 H new ATOM 560 N GLN A 74 3.911 43.964 37.678 1.00 5.61 N ATOM 561 CA GLN A 74 3.921 43.162 36.458 1.00 7.49 C ATOM 562 C GLN A 74 4.233 44.079 35.238 1.00 5.80 C ATOM 563 O GLN A 74 3.632 45.150 35.034 1.00 6.70 O ATOM 564 CB GLN A 74 2.627 42.474 36.255 1.00 6.33 C ATOM 565 CG GLN A 74 2.532 41.556 35.085 1.00 2.53 C ATOM 566 CD GLN A 74 1.236 40.753 35.085 1.00 12.34 C ATOM 567 OE1 GLN A 74 0.956 40.065 36.102 1.00 17.08 O ATOM 568 NE2 GLN A 74 0.461 40.906 34.068 1.00 18.80 N ATOM 0 H GLN A 74 3.200 44.438 37.772 1.00 5.61 H new ATOM 0 HA GLN A 74 4.608 42.483 36.544 1.00 7.49 H new ATOM 0 HB2 GLN A 74 2.426 41.965 37.056 1.00 6.33 H new ATOM 0 HB3 GLN A 74 1.936 43.149 36.167 1.00 6.33 H new ATOM 0 HG2 GLN A 74 2.591 42.072 34.266 1.00 2.53 H new ATOM 0 HG3 GLN A 74 3.287 40.947 35.092 1.00 2.53 H new ATOM 0 HE21 GLN A 74 0.714 41.391 33.404 1.00 18.80 H new ATOM 0 HE22 GLN A 74 -0.309 40.524 34.053 1.00 18.80 H new ATOM 569 N SER A 75 5.114 43.506 34.424 1.00 8.30 N ATOM 570 CA SER A 75 5.517 44.232 33.204 1.00 3.43 C ATOM 571 C SER A 75 4.410 44.270 32.187 1.00 0.50 C ATOM 572 O SER A 75 3.720 43.276 31.882 1.00 4.74 O ATOM 573 CB SER A 75 6.788 43.620 32.594 1.00 5.02 C ATOM 574 OG SER A 75 6.566 42.321 32.136 1.00 9.69 O ATOM 0 H SER A 75 5.479 42.737 34.543 1.00 8.30 H new ATOM 0 HA SER A 75 5.710 45.146 33.465 1.00 3.43 H new ATOM 0 HB2 SER A 75 7.094 44.175 31.859 1.00 5.02 H new ATOM 0 HB3 SER A 75 7.495 43.613 33.258 1.00 5.02 H new ATOM 0 HG SER A 75 6.585 42.313 31.296 1.00 9.69 H new ATOM 575 N TYR A 76 4.309 45.494 31.627 1.00 8.60 N ATOM 576 CA TYR A 76 3.309 45.723 30.560 1.00 2.77 C ATOM 577 C TYR A 76 3.621 44.844 29.339 1.00 12.04 C ATOM 578 O TYR A 76 2.662 44.347 28.729 1.00 15.50 O ATOM 579 CB TYR A 76 3.238 47.176 30.102 1.00 5.95 C ATOM 580 CG TYR A 76 2.701 48.132 31.170 1.00 13.36 C ATOM 581 CD1 TYR A 76 1.564 47.787 31.933 1.00 14.07 C ATOM 582 CD2 TYR A 76 3.302 49.393 31.373 1.00 16.81 C ATOM 583 CE1 TYR A 76 1.058 48.705 32.899 1.00 8.44 C ATOM 584 CE2 TYR A 76 2.796 50.272 32.339 1.00 17.58 C ATOM 585 CZ TYR A 76 1.675 49.928 33.051 1.00 14.27 C ATOM 586 OH TYR A 76 1.230 50.846 34.017 1.00 24.71 O ATOM 0 H TYR A 76 4.787 46.176 31.839 1.00 8.60 H new ATOM 0 HA TYR A 76 2.450 45.490 30.946 1.00 2.77 H new ATOM 0 HB2 TYR A 76 4.124 47.466 29.835 1.00 5.95 H new ATOM 0 HB3 TYR A 76 2.673 47.232 29.316 1.00 5.95 H new ATOM 0 HD1 TYR A 76 1.148 46.965 31.806 1.00 14.07 H new ATOM 0 HD2 TYR A 76 4.038 49.642 30.862 1.00 16.81 H new ATOM 0 HE1 TYR A 76 0.321 48.481 33.420 1.00 8.44 H new ATOM 0 HE2 TYR A 76 3.218 51.085 32.497 1.00 17.58 H new ATOM 0 HH TYR A 76 1.705 51.538 33.986 1.00 24.71 H new ATOM 587 N SER A 77 4.904 44.653 29.085 1.00 7.60 N ATOM 588 CA SER A 77 5.261 43.812 27.916 1.00 14.41 C ATOM 589 C SER A 77 6.026 42.588 28.271 1.00 10.47 C ATOM 590 O SER A 77 6.619 42.474 29.390 1.00 11.01 O ATOM 591 CB SER A 77 6.112 44.729 27.000 1.00 12.85 C ATOM 592 OG SER A 77 7.450 44.806 27.458 1.00 39.82 O ATOM 0 H SER A 77 5.561 44.973 29.538 1.00 7.60 H new ATOM 0 HA SER A 77 4.454 43.484 27.489 1.00 14.41 H new ATOM 0 HB2 SER A 77 6.097 44.388 26.092 1.00 12.85 H new ATOM 0 HB3 SER A 77 5.724 45.617 26.976 1.00 12.85 H new ATOM 0 HG SER A 77 7.893 45.305 26.948 1.00 39.82 H new ATOM 593 N THR A 78 6.019 41.632 27.305 1.00 4.52 N ATOM 594 CA THR A 78 6.756 40.371 27.560 1.00 5.00 C ATOM 595 C THR A 78 8.233 40.791 27.458 1.00 10.06 C ATOM 596 O THR A 78 8.630 41.862 26.949 1.00 8.32 O ATOM 597 CB THR A 78 6.372 39.262 26.644 1.00 8.73 C ATOM 598 OG1 THR A 78 6.504 39.797 25.322 1.00 28.35 O ATOM 599 CG2 THR A 78 4.939 38.727 26.797 1.00 6.21 C ATOM 0 H THR A 78 5.620 41.689 26.545 1.00 4.52 H new ATOM 0 HA THR A 78 6.548 39.987 28.426 1.00 5.00 H new ATOM 0 HB THR A 78 6.944 38.505 26.848 1.00 8.73 H new ATOM 0 HG1 THR A 78 6.299 39.208 24.759 1.00 28.35 H new ATOM 0 HG21 THR A 78 4.791 38.012 26.159 1.00 6.21 H new ATOM 0 HG22 THR A 78 4.814 38.388 27.697 1.00 6.21 H new ATOM 0 HG23 THR A 78 4.306 39.444 26.632 1.00 6.21 H new ATOM 600 N MET A 79 9.012 39.912 28.068 1.00 4.24 N ATOM 601 CA MET A 79 10.488 40.103 28.170 1.00 9.55 C ATOM 602 C MET A 79 11.138 38.765 27.916 1.00 8.68 C ATOM 603 O MET A 79 10.548 37.695 28.170 1.00 5.54 O ATOM 604 CB MET A 79 10.898 40.715 29.492 1.00 5.61 C ATOM 605 CG MET A 79 10.354 42.129 29.695 1.00 3.58 C ATOM 606 SD MET A 79 11.125 42.741 31.221 1.00 10.23 S ATOM 607 CE MET A 79 10.553 44.461 31.119 1.00 13.69 C ATOM 0 H MET A 79 8.723 39.191 28.436 1.00 4.24 H new ATOM 0 HA MET A 79 10.789 40.741 27.504 1.00 9.55 H new ATOM 0 HB2 MET A 79 10.586 40.148 30.215 1.00 5.61 H new ATOM 0 HB3 MET A 79 11.866 40.736 29.545 1.00 5.61 H new ATOM 0 HG2 MET A 79 10.574 42.698 28.941 1.00 3.58 H new ATOM 0 HG3 MET A 79 9.387 42.122 29.772 1.00 3.58 H new ATOM 0 HE1 MET A 79 10.883 44.958 31.884 1.00 13.69 H new ATOM 0 HE2 MET A 79 10.887 44.865 30.303 1.00 13.69 H new ATOM 0 HE3 MET A 79 9.583 44.480 31.116 1.00 13.69 H new ATOM 608 N SER A 80 12.348 38.842 27.407 1.00 6.64 N ATOM 609 CA SER A 80 13.089 37.580 27.153 1.00 10.51 C ATOM 610 C SER A 80 13.680 37.121 28.475 1.00 0.85 C ATOM 611 O SER A 80 14.367 37.886 29.187 1.00 4.34 O ATOM 612 CB SER A 80 14.168 37.809 26.085 1.00 7.81 C ATOM 613 OG SER A 80 15.042 36.701 26.085 1.00 7.36 O ATOM 0 H SER A 80 12.760 39.568 27.203 1.00 6.64 H new ATOM 0 HA SER A 80 12.501 36.889 26.810 1.00 10.51 H new ATOM 0 HB2 SER A 80 13.760 37.916 25.212 1.00 7.81 H new ATOM 0 HB3 SER A 80 14.658 38.625 26.271 1.00 7.81 H new ATOM 0 HG SER A 80 15.720 36.879 25.623 1.00 7.36 H new ATOM 614 N ILE A 81 13.330 35.898 28.831 1.00 3.12 N ATOM 615 CA ILE A 81 13.801 35.363 30.153 1.00 6.53 C ATOM 616 C ILE A 81 14.285 33.948 29.949 1.00 2.77 C ATOM 617 O ILE A 81 13.917 33.222 28.983 1.00 4.88 O ATOM 618 CB ILE A 81 12.722 35.363 31.221 1.00 11.07 C ATOM 619 CG1 ILE A 81 11.566 34.483 30.763 1.00 7.92 C ATOM 620 CG2 ILE A 81 12.206 36.701 31.627 1.00 6.39 C ATOM 621 CD1 ILE A 81 10.591 34.025 31.882 1.00 16.32 C ATOM 0 H ILE A 81 12.844 35.364 28.364 1.00 3.12 H new ATOM 0 HA ILE A 81 14.509 35.948 30.467 1.00 6.53 H new ATOM 0 HB ILE A 81 13.151 35.014 32.018 1.00 11.07 H new ATOM 0 HG12 ILE A 81 11.059 34.965 30.091 1.00 7.92 H new ATOM 0 HG13 ILE A 81 11.931 33.695 30.331 1.00 7.92 H new ATOM 0 HG21 ILE A 81 11.525 36.592 32.309 1.00 6.39 H new ATOM 0 HG22 ILE A 81 12.934 37.235 31.980 1.00 6.39 H new ATOM 0 HG23 ILE A 81 11.822 37.147 30.856 1.00 6.39 H new ATOM 0 HD11 ILE A 81 9.893 33.473 31.497 1.00 16.32 H new ATOM 0 HD12 ILE A 81 11.078 33.513 32.546 1.00 16.32 H new ATOM 0 HD13 ILE A 81 10.193 34.803 32.303 1.00 16.32 H new ATOM 622 N THR A 82 15.121 33.489 30.865 1.00 4.31 N ATOM 623 CA THR A 82 15.588 32.113 30.916 1.00 7.85 C ATOM 624 C THR A 82 15.244 31.540 32.339 1.00 3.88 C ATOM 625 O THR A 82 15.673 32.190 33.305 1.00 1.86 O ATOM 626 CB THR A 82 17.112 31.922 30.661 1.00 9.08 C ATOM 627 OG1 THR A 82 17.409 32.381 29.390 1.00 7.75 O ATOM 628 CG2 THR A 82 17.504 30.431 30.661 1.00 4.55 C ATOM 0 H THR A 82 15.442 33.982 31.492 1.00 4.31 H new ATOM 0 HA THR A 82 15.140 31.644 30.195 1.00 7.85 H new ATOM 0 HB THR A 82 17.585 32.398 31.361 1.00 9.08 H new ATOM 0 HG1 THR A 82 16.732 32.304 28.899 1.00 7.75 H new ATOM 0 HG21 THR A 82 18.457 30.347 30.500 1.00 4.55 H new ATOM 0 HG22 THR A 82 17.286 30.039 31.521 1.00 4.55 H new ATOM 0 HG23 THR A 82 17.016 29.968 29.962 1.00 4.55 H new ATOM 629 N ASP A 83 14.551 30.431 32.339 1.00 6.79 N ATOM 630 CA ASP A 83 14.238 29.858 33.661 1.00 5.10 C ATOM 631 C ASP A 83 15.276 28.749 33.916 1.00 1.85 C ATOM 632 O ASP A 83 15.510 27.984 32.950 1.00 4.13 O ATOM 633 CB ASP A 83 12.836 29.284 33.712 1.00 12.25 C ATOM 634 CG ASP A 83 11.674 30.163 33.966 1.00 15.65 C ATOM 635 OD1 ASP A 83 11.880 31.272 34.475 1.00 14.01 O ATOM 636 OD2 ASP A 83 10.515 29.705 33.712 1.00 48.46 O ATOM 0 H ASP A 83 14.261 30.005 31.650 1.00 6.79 H new ATOM 0 HA ASP A 83 14.276 30.550 34.340 1.00 5.10 H new ATOM 0 HB2 ASP A 83 12.678 28.838 32.865 1.00 12.25 H new ATOM 0 HB3 ASP A 83 12.832 28.599 34.398 1.00 12.25 H new ATOM 637 N CYS A 84 15.823 28.596 35.085 1.00 1.04 N ATOM 638 CA CYS A 84 16.755 27.564 35.390 1.00 0.50 C ATOM 639 C CYS A 84 16.143 26.685 36.509 1.00 11.90 C ATOM 640 O CYS A 84 15.682 27.258 37.526 1.00 7.45 O ATOM 641 CB CYS A 84 18.107 28.099 35.899 1.00 1.44 C ATOM 642 SG CYS A 84 18.976 29.246 34.729 1.00 5.69 S ATOM 0 H CYS A 84 15.654 29.113 35.751 1.00 1.04 H new ATOM 0 HA CYS A 84 16.923 27.071 34.571 1.00 0.50 H new ATOM 0 HB2 CYS A 84 17.962 28.562 36.739 1.00 1.44 H new ATOM 0 HB3 CYS A 84 18.689 27.346 36.087 1.00 1.44 H new ATOM 643 N ARG A 85 16.100 25.385 36.255 1.00 4.08 N ATOM 644 CA ARG A 85 15.503 24.505 37.322 1.00 1.50 C ATOM 645 C ARG A 85 16.450 23.359 37.577 1.00 8.36 C ATOM 646 O ARG A 85 16.865 22.670 36.611 1.00 7.36 O ATOM 647 CB ARG A 85 14.182 23.970 36.712 1.00 6.12 C ATOM 648 CG ARG A 85 13.299 23.244 37.729 1.00 37.47 C ATOM 649 CD ARG A 85 12.106 24.200 37.983 1.00 81.47 C ATOM 650 NE ARG A 85 11.575 24.582 36.661 1.00 31.47 N ATOM 651 CZ ARG A 85 10.612 25.461 36.458 1.00 50.08 C ATOM 652 NH1 ARG A 85 10.091 26.149 37.475 1.00 46.55 N ATOM 653 NH2 ARG A 85 10.080 25.576 35.238 1.00 46.07 N ATOM 0 H ARG A 85 16.379 24.994 35.542 1.00 4.08 H new ATOM 0 HA ARG A 85 15.349 24.972 38.158 1.00 1.50 H new ATOM 0 HB2 ARG A 85 13.685 24.711 36.332 1.00 6.12 H new ATOM 0 HB3 ARG A 85 14.391 23.365 35.983 1.00 6.12 H new ATOM 0 HG2 ARG A 85 12.996 22.389 37.384 1.00 37.47 H new ATOM 0 HG3 ARG A 85 13.784 23.063 38.549 1.00 37.47 H new ATOM 0 HD2 ARG A 85 11.423 23.763 38.515 1.00 81.47 H new ATOM 0 HD3 ARG A 85 12.393 24.984 38.478 1.00 81.47 H new ATOM 0 HE ARG A 85 11.919 24.203 35.970 1.00 31.47 H new ATOM 0 HH11 ARG A 85 10.382 26.022 38.274 1.00 46.55 H new ATOM 0 HH12 ARG A 85 9.464 26.720 37.332 1.00 46.55 H new ATOM 0 HH21 ARG A 85 10.366 25.080 34.596 1.00 46.07 H new ATOM 0 HH22 ARG A 85 9.452 26.146 35.095 1.00 46.07 H new ATOM 654 N GLU A 86 16.695 23.091 38.848 1.00 4.21 N ATOM 655 CA GLU A 86 17.642 22.020 39.204 1.00 0.50 C ATOM 656 C GLU A 86 17.179 20.721 38.644 1.00 9.90 C ATOM 657 O GLU A 86 15.944 20.377 38.543 1.00 11.13 O ATOM 658 CB GLU A 86 17.719 21.982 40.729 1.00 11.90 C ATOM 659 CG GLU A 86 18.860 21.179 41.238 1.00 12.14 C ATOM 660 CD GLU A 86 19.028 21.179 42.763 1.00 14.51 C ATOM 661 OE1 GLU A 86 17.998 21.600 43.373 1.00 9.49 O ATOM 662 OE2 GLU A 86 20.094 20.912 43.221 1.00 9.51 O ATOM 0 H GLU A 86 16.338 23.501 39.514 1.00 4.21 H new ATOM 0 HA GLU A 86 18.523 22.186 38.833 1.00 0.50 H new ATOM 0 HB2 GLU A 86 17.794 22.889 41.066 1.00 11.90 H new ATOM 0 HB3 GLU A 86 16.892 21.616 41.080 1.00 11.90 H new ATOM 0 HG2 GLU A 86 18.751 20.263 40.939 1.00 12.14 H new ATOM 0 HG3 GLU A 86 19.677 21.514 40.837 1.00 12.14 H new ATOM 663 N THR A 87 18.133 19.956 38.187 1.00 9.00 N ATOM 664 CA THR A 87 17.821 18.618 37.628 1.00 8.60 C ATOM 665 C THR A 87 17.903 17.548 38.644 1.00 5.62 C ATOM 666 O THR A 87 18.527 17.739 39.661 1.00 7.23 O ATOM 667 CB THR A 87 18.871 18.465 36.458 1.00 11.60 C ATOM 668 OG1 THR A 87 18.231 17.700 35.492 1.00 46.22 O ATOM 669 CG2 THR A 87 20.147 17.853 37.017 1.00 2.72 C ATOM 0 H THR A 87 18.967 20.167 38.180 1.00 9.00 H new ATOM 0 HA THR A 87 16.908 18.538 37.310 1.00 8.60 H new ATOM 0 HB THR A 87 19.151 19.302 36.055 1.00 11.60 H new ATOM 0 HG1 THR A 87 18.746 17.586 34.838 1.00 46.22 H new ATOM 0 HG21 THR A 87 20.798 17.755 36.305 1.00 2.72 H new ATOM 0 HG22 THR A 87 20.508 18.431 37.707 1.00 2.72 H new ATOM 0 HG23 THR A 87 19.949 16.982 37.396 1.00 2.72 H new ATOM 670 N GLY A 88 17.348 16.362 38.289 1.00 9.45 N ATOM 671 CA GLY A 88 17.370 15.177 39.204 1.00 3.46 C ATOM 672 C GLY A 88 18.800 14.719 39.458 1.00 8.49 C ATOM 673 O GLY A 88 19.032 14.069 40.475 1.00 9.37 O ATOM 0 H GLY A 88 16.959 16.221 37.535 1.00 9.45 H new ATOM 0 HA2 GLY A 88 16.944 15.404 40.045 1.00 3.46 H new ATOM 0 HA3 GLY A 88 16.858 14.452 38.814 1.00 3.46 H new ATOM 674 N SER A 89 19.741 15.101 38.644 1.00 7.96 N ATOM 675 CA SER A 89 21.186 14.642 38.848 1.00 4.70 C ATOM 676 C SER A 89 21.994 15.636 39.560 1.00 5.65 C ATOM 677 O SER A 89 23.181 15.407 39.916 1.00 10.27 O ATOM 678 CB SER A 89 21.770 14.222 37.526 1.00 13.91 C ATOM 679 OG SER A 89 21.321 12.922 37.221 1.00 12.46 O ATOM 0 H SER A 89 19.618 15.615 37.966 1.00 7.96 H new ATOM 0 HA SER A 89 21.192 13.867 39.431 1.00 4.70 H new ATOM 0 HB2 SER A 89 21.502 14.841 36.829 1.00 13.91 H new ATOM 0 HB3 SER A 89 22.739 14.241 37.566 1.00 13.91 H new ATOM 0 HG SER A 89 21.642 12.681 36.483 1.00 12.46 H new ATOM 680 N SER A 90 21.374 16.783 39.814 1.00 5.92 N ATOM 681 CA SER A 90 22.061 17.892 40.526 1.00 10.31 C ATOM 682 C SER A 90 22.486 17.395 41.899 1.00 6.06 C ATOM 683 O SER A 90 21.636 16.783 42.611 1.00 9.82 O ATOM 684 CB SER A 90 21.156 19.115 40.628 1.00 6.01 C ATOM 685 OG SER A 90 21.889 20.224 41.187 1.00 10.97 O ATOM 0 H SER A 90 20.561 16.952 39.590 1.00 5.92 H new ATOM 0 HA SER A 90 22.847 18.166 40.029 1.00 10.31 H new ATOM 0 HB2 SER A 90 20.818 19.351 39.750 1.00 6.01 H new ATOM 0 HB3 SER A 90 20.387 18.913 41.184 1.00 6.01 H new ATOM 0 HG SER A 90 21.465 20.539 41.840 1.00 10.97 H new ATOM 686 N LYS A 91 23.718 17.624 42.306 1.00 6.09 N ATOM 687 CA LYS A 91 24.189 17.242 43.628 1.00 8.53 C ATOM 688 C LYS A 91 25.361 18.121 44.034 1.00 16.60 C ATOM 689 O LYS A 91 26.481 18.045 43.526 1.00 9.54 O ATOM 690 CB LYS A 91 24.610 15.789 43.729 1.00 11.78 C ATOM 691 CG LYS A 91 25.035 15.254 45.102 1.00 11.11 C ATOM 692 CD LYS A 91 26.077 14.183 44.950 1.00 16.44 C ATOM 693 CE LYS A 91 26.427 13.533 46.272 1.00 37.44 C ATOM 694 NZ LYS A 91 25.155 13.266 46.984 1.00 31.60 N ATOM 0 H LYS A 91 24.314 18.010 41.821 1.00 6.09 H new ATOM 0 HA LYS A 91 23.435 17.364 44.226 1.00 8.53 H new ATOM 0 HB2 LYS A 91 23.872 15.244 43.413 1.00 11.78 H new ATOM 0 HB3 LYS A 91 25.348 15.651 43.115 1.00 11.78 H new ATOM 0 HG2 LYS A 91 25.385 15.979 45.643 1.00 11.11 H new ATOM 0 HG3 LYS A 91 24.263 14.898 45.569 1.00 11.11 H new ATOM 0 HD2 LYS A 91 25.755 13.506 44.334 1.00 16.44 H new ATOM 0 HD3 LYS A 91 26.877 14.566 44.558 1.00 16.44 H new ATOM 0 HE2 LYS A 91 26.918 12.709 46.128 1.00 37.44 H new ATOM 0 HE3 LYS A 91 26.998 14.115 46.798 1.00 37.44 H new ATOM 0 HZ1 LYS A 91 25.274 12.603 47.566 1.00 31.60 H new ATOM 0 HZ2 LYS A 91 24.898 13.999 47.418 1.00 31.60 H new ATOM 0 HZ3 LYS A 91 24.528 13.035 46.396 1.00 31.60 H new ATOM 695 N TYR A 92 25.051 18.962 45.051 1.00 3.37 N ATOM 696 CA TYR A 92 26.041 19.918 45.560 1.00 2.46 C ATOM 697 C TYR A 92 27.380 19.230 45.814 1.00 5.17 C ATOM 698 O TYR A 92 27.405 18.121 46.424 1.00 9.03 O ATOM 699 CB TYR A 92 25.517 20.530 46.882 1.00 5.96 C ATOM 700 CG TYR A 92 26.432 21.638 47.441 1.00 2.68 C ATOM 701 CD1 TYR A 92 26.286 22.938 46.933 1.00 8.16 C ATOM 702 CD2 TYR A 92 27.495 21.332 48.204 1.00 7.45 C ATOM 703 CE1 TYR A 92 27.186 23.970 47.339 1.00 3.09 C ATOM 704 CE2 TYR A 92 28.381 22.326 48.662 1.00 7.71 C ATOM 705 CZ TYR A 92 28.219 23.626 48.204 1.00 5.74 C ATOM 706 OH TYR A 92 29.088 24.582 48.712 1.00 7.15 O ATOM 0 H TYR A 92 24.287 18.988 45.446 1.00 3.37 H new ATOM 0 HA TYR A 92 26.175 20.614 44.897 1.00 2.46 H new ATOM 0 HB2 TYR A 92 24.630 20.894 46.734 1.00 5.96 H new ATOM 0 HB3 TYR A 92 25.428 19.827 47.544 1.00 5.96 H new ATOM 0 HD1 TYR A 92 25.603 23.128 46.331 1.00 8.16 H new ATOM 0 HD2 TYR A 92 27.649 20.444 48.435 1.00 7.45 H new ATOM 0 HE1 TYR A 92 27.085 24.843 47.035 1.00 3.09 H new ATOM 0 HE2 TYR A 92 29.062 22.115 49.260 1.00 7.71 H new ATOM 0 HH TYR A 92 28.870 25.340 48.424 1.00 7.15 H new ATOM 707 N PRO A 93 28.454 19.880 45.356 1.00 10.90 N ATOM 708 CA PRO A 93 28.610 21.141 44.746 1.00 5.38 C ATOM 709 C PRO A 93 28.427 21.218 43.272 1.00 9.77 C ATOM 710 O PRO A 93 28.447 22.288 42.712 1.00 12.27 O ATOM 711 CB PRO A 93 29.992 21.638 45.255 1.00 6.23 C ATOM 712 CG PRO A 93 30.821 20.338 45.204 1.00 9.30 C ATOM 713 CD PRO A 93 29.808 19.268 45.662 1.00 6.46 C ATOM 0 HA PRO A 93 27.879 21.724 45.003 1.00 5.38 H new ATOM 0 HB2 PRO A 93 30.363 22.331 44.687 1.00 6.23 H new ATOM 0 HB3 PRO A 93 29.941 22.004 46.152 1.00 6.23 H new ATOM 0 HG2 PRO A 93 31.155 20.159 44.311 1.00 9.30 H new ATOM 0 HG3 PRO A 93 31.591 20.379 45.792 1.00 9.30 H new ATOM 0 HD2 PRO A 93 29.935 18.433 45.185 1.00 6.46 H new ATOM 0 HD3 PRO A 93 29.903 19.072 46.607 1.00 6.46 H new ATOM 714 N ASN A 94 28.176 20.033 42.712 1.00 6.64 N ATOM 715 CA ASN A 94 27.916 19.956 41.289 1.00 10.63 C ATOM 716 C ASN A 94 26.442 20.185 40.983 1.00 7.96 C ATOM 717 O ASN A 94 25.753 19.230 40.577 1.00 8.94 O ATOM 718 CB ASN A 94 28.538 18.580 40.831 1.00 18.61 C ATOM 719 CG ASN A 94 30.027 18.656 41.187 1.00 9.02 C ATOM 720 OD1 ASN A 94 30.695 19.650 40.678 1.00 26.87 O ATOM 721 ND2 ASN A 94 30.502 17.777 42.000 1.00 12.42 N ATOM 0 H ASN A 94 28.153 19.283 43.132 1.00 6.64 H new ATOM 0 HA ASN A 94 28.332 20.662 40.770 1.00 10.63 H new ATOM 0 HB2 ASN A 94 28.110 17.837 41.283 1.00 18.61 H new ATOM 0 HB3 ASN A 94 28.414 18.442 39.879 1.00 18.61 H new ATOM 0 HD21 ASN A 94 31.324 17.820 42.248 1.00 12.42 H new ATOM 0 HD22 ASN A 94 29.997 17.147 42.295 1.00 12.42 H new ATOM 722 N CYS A 95 26.064 21.447 41.136 1.00 5.21 N ATOM 723 CA CYS A 95 24.665 21.829 40.882 1.00 4.20 C ATOM 724 C CYS A 95 24.391 21.715 39.407 1.00 15.35 C ATOM 725 O CYS A 95 25.287 22.212 38.644 1.00 14.79 O ATOM 726 CB CYS A 95 24.419 23.282 41.390 1.00 0.63 C ATOM 727 SG CYS A 95 24.811 23.320 43.170 1.00 5.34 S ATOM 0 H CYS A 95 26.581 22.089 41.380 1.00 5.21 H new ATOM 0 HA CYS A 95 24.061 21.238 41.359 1.00 4.20 H new ATOM 0 HB2 CYS A 95 24.976 23.911 40.905 1.00 0.63 H new ATOM 0 HB3 CYS A 95 23.497 23.544 41.239 1.00 0.63 H new ATOM 728 N ALA A 96 23.264 21.218 39.051 1.00 5.33 N ATOM 729 CA ALA A 96 22.915 21.026 37.628 1.00 9.81 C ATOM 730 C ALA A 96 21.515 21.562 37.373 1.00 19.19 C ATOM 731 O ALA A 96 20.679 21.409 38.238 1.00 10.32 O ATOM 732 CB ALA A 96 23.069 19.574 37.221 1.00 8.17 C ATOM 0 H ALA A 96 22.653 20.970 39.603 1.00 5.33 H new ATOM 0 HA ALA A 96 23.531 21.528 37.072 1.00 9.81 H new ATOM 0 HB1 ALA A 96 22.835 19.473 36.285 1.00 8.17 H new ATOM 0 HB2 ALA A 96 23.988 19.296 37.355 1.00 8.17 H new ATOM 0 HB3 ALA A 96 22.482 19.022 37.762 1.00 8.17 H new ATOM 733 N TYR A 97 21.299 22.173 36.204 1.00 4.50 N ATOM 734 CA TYR A 97 20.021 22.785 35.848 1.00 5.58 C ATOM 735 C TYR A 97 19.536 22.556 34.475 1.00 11.13 C ATOM 736 O TYR A 97 20.343 22.479 33.509 1.00 11.37 O ATOM 737 CB TYR A 97 20.157 24.391 35.899 1.00 4.75 C ATOM 738 CG TYR A 97 20.460 24.773 37.373 1.00 6.86 C ATOM 739 CD1 TYR A 97 21.768 24.735 37.831 1.00 1.93 C ATOM 740 CD2 TYR A 97 19.428 25.079 38.289 1.00 11.17 C ATOM 741 CE1 TYR A 97 22.088 25.041 39.153 1.00 8.37 C ATOM 742 CE2 TYR A 97 19.778 25.346 39.611 1.00 8.18 C ATOM 743 CZ TYR A 97 21.101 25.308 40.017 1.00 3.04 C ATOM 744 OH TYR A 97 21.497 25.614 41.289 1.00 4.73 O ATOM 0 H TYR A 97 21.898 22.243 35.591 1.00 4.50 H new ATOM 0 HA TYR A 97 19.411 22.377 36.483 1.00 5.58 H new ATOM 0 HB2 TYR A 97 20.868 24.694 35.313 1.00 4.75 H new ATOM 0 HB3 TYR A 97 19.339 24.815 35.596 1.00 4.75 H new ATOM 0 HD1 TYR A 97 22.448 24.500 37.242 1.00 1.93 H new ATOM 0 HD2 TYR A 97 18.539 25.102 38.017 1.00 11.17 H new ATOM 0 HE1 TYR A 97 22.975 25.059 39.431 1.00 8.37 H new ATOM 0 HE2 TYR A 97 19.114 25.552 40.229 1.00 8.18 H new ATOM 0 HH TYR A 97 20.827 25.830 41.747 1.00 4.73 H new ATOM 745 N LYS A 98 18.226 22.594 34.322 1.00 5.52 N ATOM 746 CA LYS A 98 17.559 22.594 33.051 1.00 10.47 C ATOM 747 C LYS A 98 17.321 24.047 32.644 1.00 9.10 C ATOM 748 O LYS A 98 16.817 24.888 33.407 1.00 6.62 O ATOM 749 CB LYS A 98 16.203 21.868 33.051 1.00 8.88 C ATOM 750 CG LYS A 98 15.506 21.982 31.678 1.00 11.44 C ATOM 751 CD LYS A 98 14.240 21.141 31.678 1.00 30.59 C ATOM 752 CE LYS A 98 13.240 21.600 30.610 1.00 69.52 C ATOM 753 NZ LYS A 98 12.187 20.568 30.407 1.00 79.71 N ATOM 0 H LYS A 98 17.683 22.622 34.988 1.00 5.52 H new ATOM 0 HA LYS A 98 18.132 22.115 32.432 1.00 10.47 H new ATOM 0 HB2 LYS A 98 16.334 20.933 33.273 1.00 8.88 H new ATOM 0 HB3 LYS A 98 15.632 22.245 33.738 1.00 8.88 H new ATOM 0 HG2 LYS A 98 15.290 22.909 31.491 1.00 11.44 H new ATOM 0 HG3 LYS A 98 16.104 21.683 30.975 1.00 11.44 H new ATOM 0 HD2 LYS A 98 14.471 20.212 31.524 1.00 30.59 H new ATOM 0 HD3 LYS A 98 13.822 21.189 32.552 1.00 30.59 H new ATOM 0 HE2 LYS A 98 12.832 22.438 30.879 1.00 69.52 H new ATOM 0 HE3 LYS A 98 13.704 21.766 29.774 1.00 69.52 H new ATOM 0 HZ1 LYS A 98 11.614 20.846 29.786 1.00 79.71 H new ATOM 0 HZ2 LYS A 98 12.564 19.807 30.142 1.00 79.71 H new ATOM 0 HZ3 LYS A 98 11.752 20.433 31.172 1.00 79.71 H new ATOM 754 N THR A 99 17.693 24.391 31.424 1.00 4.19 N ATOM 755 CA THR A 99 17.488 25.691 30.814 1.00 9.54 C ATOM 756 C THR A 99 16.274 25.843 29.949 1.00 4.99 C ATOM 757 O THR A 99 16.071 25.002 29.034 1.00 8.84 O ATOM 758 CB THR A 99 18.761 25.996 29.899 1.00 5.12 C ATOM 759 OG1 THR A 99 19.900 25.882 30.712 1.00 6.32 O ATOM 760 CG2 THR A 99 18.616 27.411 29.288 1.00 0.50 C ATOM 0 H THR A 99 18.095 23.841 30.899 1.00 4.19 H new ATOM 0 HA THR A 99 17.358 26.304 31.555 1.00 9.54 H new ATOM 0 HB THR A 99 18.838 25.371 29.161 1.00 5.12 H new ATOM 0 HG1 THR A 99 20.452 25.363 30.350 1.00 6.32 H new ATOM 0 HG21 THR A 99 19.386 27.603 28.731 1.00 0.50 H new ATOM 0 HG22 THR A 99 17.810 27.450 28.750 1.00 0.50 H new ATOM 0 HG23 THR A 99 18.561 28.067 30.000 1.00 0.50 H new ATOM 761 N THR A 100 15.383 26.761 30.204 1.00 5.66 N ATOM 762 CA THR A 100 14.154 26.952 29.390 1.00 4.87 C ATOM 763 C THR A 100 14.142 28.443 29.034 1.00 8.70 C ATOM 764 O THR A 100 14.301 29.284 29.899 1.00 12.09 O ATOM 765 CB THR A 100 12.852 26.532 30.102 1.00 10.58 C ATOM 766 OG1 THR A 100 13.104 25.232 30.560 1.00 13.24 O ATOM 767 CG2 THR A 100 11.670 26.532 29.136 1.00 10.61 C ATOM 0 H THR A 100 15.452 27.313 30.860 1.00 5.66 H new ATOM 0 HA THR A 100 14.179 26.377 28.609 1.00 4.87 H new ATOM 0 HB THR A 100 12.619 27.143 30.818 1.00 10.58 H new ATOM 0 HG1 THR A 100 12.427 24.941 30.963 1.00 13.24 H new ATOM 0 HG21 THR A 100 10.866 26.265 29.608 1.00 10.61 H new ATOM 0 HG22 THR A 100 11.550 27.423 28.772 1.00 10.61 H new ATOM 0 HG23 THR A 100 11.842 25.908 28.413 1.00 10.61 H new ATOM 768 N GLN A 101 13.987 28.787 27.763 1.00 3.18 N ATOM 769 CA GLN A 101 14.006 30.163 27.305 1.00 4.32 C ATOM 770 C GLN A 101 12.593 30.508 26.899 1.00 13.67 C ATOM 771 O GLN A 101 11.844 29.628 26.390 1.00 13.65 O ATOM 772 CB GLN A 101 14.966 30.316 26.136 1.00 22.99 C ATOM 773 CG GLN A 101 14.882 31.654 25.424 1.00 18.97 C ATOM 774 CD GLN A 101 15.357 32.840 26.238 1.00 14.08 C ATOM 775 OE1 GLN A 101 16.345 32.801 26.949 1.00 10.31 O ATOM 776 NE2 GLN A 101 14.621 33.948 25.983 1.00 7.44 N ATOM 0 H GLN A 101 13.866 28.215 27.132 1.00 3.18 H new ATOM 0 HA GLN A 101 14.313 30.762 28.003 1.00 4.32 H new ATOM 0 HB2 GLN A 101 15.872 30.190 26.458 1.00 22.99 H new ATOM 0 HB3 GLN A 101 14.792 29.610 25.495 1.00 22.99 H new ATOM 0 HG2 GLN A 101 15.407 31.606 24.610 1.00 18.97 H new ATOM 0 HG3 GLN A 101 13.962 31.808 25.159 1.00 18.97 H new ATOM 0 HE21 GLN A 101 13.933 33.899 25.469 1.00 7.44 H new ATOM 0 HE22 GLN A 101 14.841 34.701 26.335 1.00 7.44 H new ATOM 777 N ALA A 102 12.169 31.731 27.204 1.00 4.61 N ATOM 778 CA ALA A 102 10.786 32.151 26.797 1.00 1.28 C ATOM 779 C ALA A 102 10.665 33.642 26.797 1.00 1.09 C ATOM 780 O ALA A 102 11.565 34.369 27.305 1.00 6.86 O ATOM 781 CB ALA A 102 9.799 31.502 27.661 1.00 12.44 C ATOM 0 H ALA A 102 12.627 32.324 27.626 1.00 4.61 H new ATOM 0 HA ALA A 102 10.611 31.862 25.888 1.00 1.28 H new ATOM 0 HB1 ALA A 102 8.907 31.775 27.396 1.00 12.44 H new ATOM 0 HB2 ALA A 102 9.880 30.539 27.578 1.00 12.44 H new ATOM 0 HB3 ALA A 102 9.955 31.761 28.583 1.00 12.44 H new ATOM 782 N ASN A 103 9.539 34.139 26.339 1.00 7.14 N ATOM 783 CA ASN A 103 9.117 35.516 26.339 1.00 11.93 C ATOM 784 C ASN A 103 7.844 35.592 27.153 1.00 10.90 C ATOM 785 O ASN A 103 6.808 35.172 26.695 1.00 7.68 O ATOM 786 CB ASN A 103 8.843 36.166 24.966 1.00 9.85 C ATOM 787 CG ASN A 103 10.161 35.936 24.102 1.00 20.26 C ATOM 788 OD1 ASN A 103 10.257 34.904 23.492 1.00 45.13 O ATOM 789 ND2 ASN A 103 10.989 36.930 24.254 1.00 12.02 N ATOM 0 H ASN A 103 8.944 33.628 25.986 1.00 7.14 H new ATOM 0 HA ASN A 103 9.865 36.016 26.701 1.00 11.93 H new ATOM 0 HB2 ASN A 103 8.072 35.762 24.538 1.00 9.85 H new ATOM 0 HB3 ASN A 103 8.651 37.112 25.062 1.00 9.85 H new ATOM 0 HD21 ASN A 103 11.761 36.908 23.876 1.00 12.02 H new ATOM 0 HD22 ASN A 103 10.763 37.608 24.732 1.00 12.02 H new ATOM 790 N LYS A 104 8.030 36.166 28.322 1.00 17.41 N ATOM 791 CA LYS A 104 6.922 36.319 29.288 1.00 17.63 C ATOM 792 C LYS A 104 6.990 37.618 30.051 1.00 9.30 C ATOM 793 O LYS A 104 8.000 38.345 30.102 1.00 9.63 O ATOM 794 CB LYS A 104 7.018 35.172 30.356 1.00 7.81 C ATOM 795 CG LYS A 104 6.798 33.872 29.594 1.00 10.49 C ATOM 796 CD LYS A 104 6.415 32.648 30.356 1.00 17.89 C ATOM 797 CE LYS A 104 7.021 32.457 31.729 1.00 36.60 C ATOM 798 NZ LYS A 104 6.368 31.272 32.390 1.00 45.80 N ATOM 0 H LYS A 104 8.784 36.479 28.591 1.00 17.41 H new ATOM 0 HA LYS A 104 6.099 36.293 28.776 1.00 17.63 H new ATOM 0 HB2 LYS A 104 7.884 35.176 30.793 1.00 7.81 H new ATOM 0 HB3 LYS A 104 6.349 35.286 31.049 1.00 7.81 H new ATOM 0 HG2 LYS A 104 6.108 34.033 28.931 1.00 10.49 H new ATOM 0 HG3 LYS A 104 7.615 33.673 29.110 1.00 10.49 H new ATOM 0 HD2 LYS A 104 5.450 32.646 30.453 1.00 17.89 H new ATOM 0 HD3 LYS A 104 6.647 31.876 29.817 1.00 17.89 H new ATOM 0 HE2 LYS A 104 7.978 32.316 31.657 1.00 36.60 H new ATOM 0 HE3 LYS A 104 6.892 33.254 32.266 1.00 36.60 H new ATOM 0 HZ1 LYS A 104 6.719 31.152 33.199 1.00 45.80 H new ATOM 0 HZ2 LYS A 104 5.493 31.418 32.465 1.00 45.80 H new ATOM 0 HZ3 LYS A 104 6.505 30.544 31.897 1.00 45.80 H new ATOM 799 N HIS A 105 5.825 37.886 30.610 1.00 10.05 N ATOM 800 CA HIS A 105 5.697 39.071 31.526 1.00 13.69 C ATOM 801 C HIS A 105 6.454 38.689 32.797 1.00 6.93 C ATOM 802 O HIS A 105 6.391 37.542 33.204 1.00 6.87 O ATOM 803 CB HIS A 105 4.263 39.377 31.780 1.00 8.07 C ATOM 804 CG HIS A 105 3.550 39.874 30.560 1.00 5.81 C ATOM 805 ND1 HIS A 105 3.328 41.135 30.102 1.00 10.73 N flip ATOM 806 CD2 HIS A 105 2.924 38.995 29.746 1.00 4.28 C flip ATOM 807 CE1 HIS A 105 2.600 40.983 28.933 1.00 8.37 C flip ATOM 808 NE2 HIS A 105 2.375 39.683 28.780 1.00 11.49 N flip ATOM 0 H HIS A 105 5.106 37.429 30.495 1.00 10.05 H new ATOM 0 HA HIS A 105 6.070 39.881 31.144 1.00 13.69 H new ATOM 0 HB2 HIS A 105 3.819 38.578 32.106 1.00 8.07 H new ATOM 0 HB3 HIS A 105 4.198 40.044 32.481 1.00 8.07 H new ATOM 0 HD1 HIS A 105 3.585 41.872 30.462 1.00 10.73 H new ATOM 0 HD2 HIS A 105 2.890 38.072 29.853 1.00 4.28 H new ATOM 0 HE1 HIS A 105 2.321 41.663 28.363 1.00 8.37 H new ATOM 809 N ILE A 106 7.112 39.645 33.407 1.00 6.30 N ATOM 810 CA ILE A 106 7.810 39.415 34.678 1.00 3.12 C ATOM 811 C ILE A 106 7.016 40.180 35.797 1.00 4.09 C ATOM 812 O ILE A 106 6.355 41.212 35.594 1.00 3.80 O ATOM 813 CB ILE A 106 9.286 39.797 34.678 1.00 4.93 C ATOM 814 CG1 ILE A 106 9.560 41.250 34.373 1.00 6.98 C ATOM 815 CG2 ILE A 106 9.974 38.956 33.611 1.00 4.69 C ATOM 816 CD1 ILE A 106 10.973 41.747 34.780 1.00 6.69 C ATOM 0 H ILE A 106 7.175 40.449 33.109 1.00 6.30 H new ATOM 0 HA ILE A 106 7.824 38.459 34.842 1.00 3.12 H new ATOM 0 HB ILE A 106 9.619 39.638 35.575 1.00 4.93 H new ATOM 0 HG12 ILE A 106 9.442 41.395 33.421 1.00 6.98 H new ATOM 0 HG13 ILE A 106 8.897 41.793 34.827 1.00 6.98 H new ATOM 0 HG21 ILE A 106 10.918 39.176 33.585 1.00 4.69 H new ATOM 0 HG22 ILE A 106 9.867 38.015 33.821 1.00 4.69 H new ATOM 0 HG23 ILE A 106 9.576 39.141 32.746 1.00 4.69 H new ATOM 0 HD11 ILE A 106 11.065 42.685 34.550 1.00 6.69 H new ATOM 0 HD12 ILE A 106 11.092 41.636 35.736 1.00 6.69 H new ATOM 0 HD13 ILE A 106 11.646 41.232 34.308 1.00 6.69 H new ATOM 817 N ILE A 107 7.142 39.568 36.966 1.00 1.40 N ATOM 818 CA ILE A 107 6.559 40.218 38.187 1.00 8.09 C ATOM 819 C ILE A 107 7.726 40.371 39.102 1.00 3.25 C ATOM 820 O ILE A 107 8.370 39.377 39.560 1.00 3.62 O ATOM 821 CB ILE A 107 5.408 39.415 38.797 1.00 4.44 C ATOM 822 CG1 ILE A 107 4.271 39.262 37.882 1.00 9.79 C ATOM 823 CG2 ILE A 107 4.946 40.256 40.017 1.00 4.32 C ATOM 824 CD1 ILE A 107 3.076 38.421 38.339 1.00 12.69 C ATOM 0 H ILE A 107 7.536 38.815 37.095 1.00 1.40 H new ATOM 0 HA ILE A 107 6.141 41.071 37.989 1.00 8.09 H new ATOM 0 HB ILE A 107 5.706 38.519 39.017 1.00 4.44 H new ATOM 0 HG12 ILE A 107 3.943 40.149 37.668 1.00 9.79 H new ATOM 0 HG13 ILE A 107 4.605 38.876 37.057 1.00 9.79 H new ATOM 0 HG21 ILE A 107 4.210 39.806 40.460 1.00 4.32 H new ATOM 0 HG22 ILE A 107 5.684 40.357 40.638 1.00 4.32 H new ATOM 0 HG23 ILE A 107 4.655 41.131 39.716 1.00 4.32 H new ATOM 0 HD11 ILE A 107 2.404 38.407 37.640 1.00 12.69 H new ATOM 0 HD12 ILE A 107 3.369 37.515 38.524 1.00 12.69 H new ATOM 0 HD13 ILE A 107 2.697 38.808 39.144 1.00 12.69 H new ATOM 825 N VAL A 108 7.979 41.632 39.560 1.00 2.35 N ATOM 826 CA VAL A 108 9.040 41.900 40.526 1.00 3.63 C ATOM 827 C VAL A 108 8.487 42.665 41.746 1.00 0.50 C ATOM 828 O VAL A 108 7.525 43.353 41.543 1.00 3.11 O ATOM 829 CB VAL A 108 10.176 42.779 39.865 1.00 6.28 C ATOM 830 CG1 VAL A 108 10.894 41.900 38.797 1.00 4.21 C ATOM 831 CG2 VAL A 108 9.623 44.041 39.306 1.00 4.12 C ATOM 0 H VAL A 108 7.539 42.329 39.313 1.00 2.35 H new ATOM 0 HA VAL A 108 9.401 41.046 40.810 1.00 3.63 H new ATOM 0 HB VAL A 108 10.826 43.059 40.529 1.00 6.28 H new ATOM 0 HG11 VAL A 108 11.598 42.415 38.374 1.00 4.21 H new ATOM 0 HG12 VAL A 108 11.278 41.119 39.225 1.00 4.21 H new ATOM 0 HG13 VAL A 108 10.253 41.617 38.126 1.00 4.21 H new ATOM 0 HG21 VAL A 108 10.339 44.560 38.908 1.00 4.12 H new ATOM 0 HG22 VAL A 108 8.960 43.832 38.629 1.00 4.12 H new ATOM 0 HG23 VAL A 108 9.208 44.555 40.016 1.00 4.12 H new ATOM 832 N ALA A 109 9.217 42.550 42.814 1.00 5.76 N ATOM 833 CA ALA A 109 8.905 43.353 44.034 1.00 0.50 C ATOM 834 C ALA A 109 9.960 44.500 44.034 1.00 17.21 C ATOM 835 O ALA A 109 11.182 44.194 43.780 1.00 3.08 O ATOM 836 CB ALA A 109 9.029 42.588 45.306 1.00 2.45 C ATOM 0 H ALA A 109 9.897 42.028 42.887 1.00 5.76 H new ATOM 0 HA ALA A 109 7.983 43.653 43.999 1.00 0.50 H new ATOM 0 HB1 ALA A 109 8.814 43.167 46.054 1.00 2.45 H new ATOM 0 HB2 ALA A 109 8.417 41.836 45.293 1.00 2.45 H new ATOM 0 HB3 ALA A 109 9.938 42.263 45.401 1.00 2.45 H new ATOM 837 N CYS A 110 9.445 45.685 44.238 1.00 5.20 N ATOM 838 CA CYS A 110 10.349 46.870 44.339 1.00 13.59 C ATOM 839 C CYS A 110 10.352 47.482 45.712 1.00 7.26 C ATOM 840 O CYS A 110 9.396 47.405 46.475 1.00 6.41 O ATOM 841 CB CYS A 110 9.951 47.902 43.272 1.00 7.02 C ATOM 842 SG CYS A 110 9.634 47.138 41.645 1.00 5.21 S ATOM 0 H CYS A 110 8.606 45.852 44.322 1.00 5.20 H new ATOM 0 HA CYS A 110 11.257 46.569 44.179 1.00 13.59 H new ATOM 0 HB2 CYS A 110 9.156 48.375 43.564 1.00 7.02 H new ATOM 0 HB3 CYS A 110 10.657 48.561 43.184 1.00 7.02 H new ATOM 843 N GLU A 111 11.495 48.132 46.017 1.00 5.07 N ATOM 844 CA GLU A 111 11.786 48.820 47.238 1.00 3.36 C ATOM 845 C GLU A 111 12.872 49.890 47.034 1.00 13.87 C ATOM 846 O GLU A 111 13.664 49.814 46.119 1.00 11.86 O ATOM 847 CB GLU A 111 12.379 47.940 48.356 1.00 5.65 C ATOM 848 CG GLU A 111 11.531 46.832 48.865 1.00 11.47 C ATOM 849 CD GLU A 111 12.231 45.876 49.831 1.00 7.28 C ATOM 850 OE1 GLU A 111 13.357 46.335 50.289 1.00 16.23 O ATOM 851 OE2 GLU A 111 11.791 44.806 50.085 1.00 13.83 O ATOM 0 H GLU A 111 12.150 48.171 45.461 1.00 5.07 H new ATOM 0 HA GLU A 111 10.917 49.168 47.493 1.00 3.36 H new ATOM 0 HB2 GLU A 111 13.209 47.559 48.031 1.00 5.65 H new ATOM 0 HB3 GLU A 111 12.605 48.515 49.104 1.00 5.65 H new ATOM 0 HG2 GLU A 111 10.758 47.212 49.311 1.00 11.47 H new ATOM 0 HG3 GLU A 111 11.200 46.322 48.109 1.00 11.47 H new ATOM 852 N GLY A 112 12.879 50.808 48.001 1.00 5.22 N ATOM 853 CA GLY A 112 13.888 51.840 48.153 1.00 7.56 C ATOM 854 C GLY A 112 13.668 53.101 47.390 1.00 3.69 C ATOM 855 O GLY A 112 12.633 53.369 46.831 1.00 3.13 O ATOM 0 H GLY A 112 12.270 50.843 48.607 1.00 5.22 H new ATOM 0 HA2 GLY A 112 13.955 52.063 49.095 1.00 7.56 H new ATOM 0 HA3 GLY A 112 14.744 51.469 47.887 1.00 7.56 H new ATOM 856 N ASN A 113 14.738 53.943 47.441 1.00 7.09 N ATOM 857 CA ASN A 113 14.699 55.204 46.678 1.00 7.34 C ATOM 858 C ASN A 113 16.135 55.357 46.119 1.00 23.77 C ATOM 859 O ASN A 113 17.047 55.548 46.984 1.00 15.40 O ATOM 860 CB ASN A 113 14.316 56.427 47.441 1.00 23.63 C ATOM 861 CG ASN A 113 14.639 57.727 46.678 1.00 19.76 C ATOM 862 OD1 ASN A 113 15.601 58.415 46.984 1.00 60.45 O ATOM 863 ND2 ASN A 113 13.834 57.995 45.662 1.00 23.58 N ATOM 0 H ASN A 113 15.457 53.804 47.891 1.00 7.09 H new ATOM 0 HA ASN A 113 14.000 55.140 46.008 1.00 7.34 H new ATOM 0 HB2 ASN A 113 13.366 56.398 47.636 1.00 23.63 H new ATOM 0 HB3 ASN A 113 14.781 56.432 48.292 1.00 23.63 H new ATOM 0 HD21 ASN A 113 13.975 58.688 45.173 1.00 23.58 H new ATOM 0 HD22 ASN A 113 13.170 57.476 45.491 1.00 23.58 H new ATOM 864 N PRO A 114 16.312 55.242 44.848 1.00 13.49 N ATOM 865 CA PRO A 114 15.342 54.975 43.780 1.00 7.31 C ATOM 866 C PRO A 114 14.676 53.637 44.085 1.00 2.58 C ATOM 867 O PRO A 114 15.199 52.681 44.645 1.00 5.80 O ATOM 868 CB PRO A 114 16.107 54.975 42.458 1.00 6.65 C ATOM 869 CG PRO A 114 17.490 55.472 42.763 1.00 11.70 C ATOM 870 CD PRO A 114 17.704 55.357 44.238 1.00 13.97 C ATOM 0 HA PRO A 114 14.643 55.645 43.720 1.00 7.31 H new ATOM 0 HB2 PRO A 114 16.137 54.083 42.077 1.00 6.65 H new ATOM 0 HB3 PRO A 114 15.671 55.547 41.807 1.00 6.65 H new ATOM 0 HG2 PRO A 114 18.152 54.951 42.282 1.00 11.70 H new ATOM 0 HG3 PRO A 114 17.591 56.393 42.476 1.00 11.70 H new ATOM 0 HD2 PRO A 114 18.244 54.580 44.452 1.00 13.97 H new ATOM 0 HD3 PRO A 114 18.173 56.132 44.584 1.00 13.97 H new ATOM 871 N TYR A 115 13.414 53.560 43.678 1.00 6.31 N ATOM 872 CA TYR A 115 12.568 52.413 43.882 1.00 4.09 C ATOM 873 C TYR A 115 12.879 51.381 42.763 1.00 1.74 C ATOM 874 O TYR A 115 12.391 51.687 41.695 1.00 6.61 O ATOM 875 CB TYR A 115 11.108 52.910 43.729 1.00 6.48 C ATOM 876 CG TYR A 115 9.959 52.031 44.136 1.00 5.50 C ATOM 877 CD1 TYR A 115 9.887 51.496 45.458 1.00 5.37 C ATOM 878 CD2 TYR A 115 8.896 51.763 43.272 1.00 5.52 C ATOM 879 CE1 TYR A 115 8.799 50.693 45.865 1.00 9.38 C ATOM 880 CE2 TYR A 115 7.823 50.961 43.628 1.00 8.31 C ATOM 881 CZ TYR A 115 7.782 50.464 44.950 1.00 11.55 C ATOM 882 OH TYR A 115 6.709 49.661 45.204 1.00 11.51 O ATOM 0 H TYR A 115 13.021 54.201 43.261 1.00 6.31 H new ATOM 0 HA TYR A 115 12.707 52.003 44.750 1.00 4.09 H new ATOM 0 HB2 TYR A 115 11.031 53.734 44.234 1.00 6.48 H new ATOM 0 HB3 TYR A 115 10.979 53.137 42.795 1.00 6.48 H new ATOM 0 HD1 TYR A 115 10.570 51.680 46.062 1.00 5.37 H new ATOM 0 HD2 TYR A 115 8.908 52.139 42.421 1.00 5.52 H new ATOM 0 HE1 TYR A 115 8.765 50.329 46.720 1.00 9.38 H new ATOM 0 HE2 TYR A 115 7.152 50.757 43.017 1.00 8.31 H new ATOM 0 HH TYR A 115 6.267 49.552 44.498 1.00 11.51 H new ATOM 883 N VAL A 116 13.629 50.349 43.170 1.00 3.73 N ATOM 884 CA VAL A 116 14.000 49.393 42.051 1.00 11.83 C ATOM 885 C VAL A 116 13.651 48.017 42.407 1.00 5.82 C ATOM 886 O VAL A 116 13.399 47.749 43.628 1.00 2.58 O ATOM 887 CB VAL A 116 15.510 49.623 41.746 1.00 8.47 C ATOM 888 CG1 VAL A 116 15.891 51.037 41.289 1.00 2.33 C ATOM 889 CG2 VAL A 116 16.419 49.278 42.916 1.00 6.17 C ATOM 0 H VAL A 116 13.911 50.177 43.964 1.00 3.73 H new ATOM 0 HA VAL A 116 13.497 49.561 41.239 1.00 11.83 H new ATOM 0 HB VAL A 116 15.648 49.014 41.004 1.00 8.47 H new ATOM 0 HG11 VAL A 116 16.846 51.078 41.125 1.00 2.33 H new ATOM 0 HG12 VAL A 116 15.414 51.253 40.472 1.00 2.33 H new ATOM 0 HG13 VAL A 116 15.654 51.675 41.980 1.00 2.33 H new ATOM 0 HG21 VAL A 116 17.342 49.441 42.668 1.00 6.17 H new ATOM 0 HG22 VAL A 116 16.188 49.830 43.679 1.00 6.17 H new ATOM 0 HG23 VAL A 116 16.307 48.343 43.148 1.00 6.17 H new ATOM 890 N PRO A 117 13.689 47.061 41.492 1.00 7.29 N ATOM 891 CA PRO A 117 13.460 45.647 41.746 1.00 3.99 C ATOM 892 C PRO A 117 14.402 45.035 42.712 1.00 2.03 C ATOM 893 O PRO A 117 15.668 45.264 42.611 1.00 5.08 O ATOM 894 CB PRO A 117 13.579 44.997 40.272 1.00 2.43 C ATOM 895 CG PRO A 117 13.361 46.144 39.306 1.00 5.06 C ATOM 896 CD PRO A 117 13.958 47.329 40.017 1.00 7.88 C ATOM 0 HA PRO A 117 12.604 45.492 42.176 1.00 3.99 H new ATOM 0 HB2 PRO A 117 14.449 44.589 40.139 1.00 2.43 H new ATOM 0 HB3 PRO A 117 12.916 44.301 40.143 1.00 2.43 H new ATOM 0 HG2 PRO A 117 13.798 45.981 38.456 1.00 5.06 H new ATOM 0 HG3 PRO A 117 12.419 46.278 39.119 1.00 5.06 H new ATOM 0 HD2 PRO A 117 14.908 47.406 39.839 1.00 7.88 H new ATOM 0 HD3 PRO A 117 13.547 48.159 39.728 1.00 7.88 H new ATOM 897 N VAL A 118 13.911 44.270 43.729 1.00 0.55 N ATOM 898 CA VAL A 118 14.822 43.659 44.695 1.00 1.68 C ATOM 899 C VAL A 118 14.549 42.129 44.797 1.00 2.86 C ATOM 900 O VAL A 118 15.282 41.365 45.458 1.00 8.20 O ATOM 901 CB VAL A 118 14.734 44.385 46.068 1.00 7.49 C ATOM 902 CG1 VAL A 118 15.323 45.800 46.017 1.00 8.15 C ATOM 903 CG2 VAL A 118 13.298 44.385 46.628 1.00 20.98 C ATOM 0 H VAL A 118 13.077 44.107 43.860 1.00 0.55 H new ATOM 0 HA VAL A 118 15.736 43.763 44.388 1.00 1.68 H new ATOM 0 HB VAL A 118 15.282 43.876 46.685 1.00 7.49 H new ATOM 0 HG11 VAL A 118 15.247 46.214 46.891 1.00 8.15 H new ATOM 0 HG12 VAL A 118 16.258 45.753 45.762 1.00 8.15 H new ATOM 0 HG13 VAL A 118 14.837 46.330 45.366 1.00 8.15 H new ATOM 0 HG21 VAL A 118 13.283 44.845 47.482 1.00 20.98 H new ATOM 0 HG22 VAL A 118 12.708 44.839 46.006 1.00 20.98 H new ATOM 0 HG23 VAL A 118 12.998 43.471 46.749 1.00 20.98 H new ATOM 904 N HIS A 119 13.485 41.709 44.136 1.00 5.74 N ATOM 905 CA HIS A 119 13.123 40.294 44.136 1.00 8.30 C ATOM 906 C HIS A 119 12.396 39.989 42.865 1.00 1.23 C ATOM 907 O HIS A 119 11.587 40.753 42.356 1.00 4.10 O ATOM 908 CB HIS A 119 12.269 39.989 45.356 1.00 10.74 C ATOM 909 CG HIS A 119 11.380 38.765 45.306 1.00 32.01 C ATOM 910 ND1 HIS A 119 11.814 37.504 45.662 1.00 25.64 N ATOM 911 CD2 HIS A 119 10.011 38.727 45.051 1.00 18.17 C ATOM 912 CE1 HIS A 119 10.776 36.701 45.509 1.00 15.39 C ATOM 913 NE2 HIS A 119 9.649 37.389 45.153 1.00 8.69 N ATOM 0 H HIS A 119 12.960 42.218 43.683 1.00 5.74 H new ATOM 0 HA HIS A 119 13.915 39.736 44.183 1.00 8.30 H new ATOM 0 HB2 HIS A 119 12.861 39.897 46.119 1.00 10.74 H new ATOM 0 HB3 HIS A 119 11.706 40.760 45.526 1.00 10.74 H new ATOM 0 HD2 HIS A 119 9.456 39.446 44.854 1.00 18.17 H new ATOM 0 HE1 HIS A 119 10.808 35.779 45.629 1.00 15.39 H new ATOM 0 HE2 HIS A 119 8.867 37.058 45.018 1.00 8.69 H new ATOM 914 N PHE A 120 12.672 38.765 42.356 1.00 6.46 N ATOM 915 CA PHE A 120 11.943 38.268 41.187 1.00 7.73 C ATOM 916 C PHE A 120 10.824 37.389 41.695 1.00 4.20 C ATOM 917 O PHE A 120 11.150 36.357 42.306 1.00 5.99 O ATOM 918 CB PHE A 120 12.885 37.427 40.272 1.00 4.31 C ATOM 919 CG PHE A 120 12.234 37.083 38.950 1.00 8.03 C ATOM 920 CD1 PHE A 120 11.375 35.974 38.899 1.00 5.34 C ATOM 921 CD2 PHE A 120 12.454 37.886 37.831 1.00 5.33 C ATOM 922 CE1 PHE A 120 10.737 35.669 37.729 1.00 6.16 C ATOM 923 CE2 PHE A 120 11.772 37.580 36.611 1.00 8.22 C ATOM 924 CZ PHE A 120 10.897 36.471 36.611 1.00 7.83 C ATOM 0 H PHE A 120 13.264 38.227 42.671 1.00 6.46 H new ATOM 0 HA PHE A 120 11.600 39.011 40.666 1.00 7.73 H new ATOM 0 HB2 PHE A 120 13.703 37.922 40.109 1.00 4.31 H new ATOM 0 HB3 PHE A 120 13.135 36.610 40.731 1.00 4.31 H new ATOM 0 HD1 PHE A 120 11.241 35.450 39.656 1.00 5.34 H new ATOM 0 HD2 PHE A 120 13.036 38.610 37.877 1.00 5.33 H new ATOM 0 HE1 PHE A 120 10.191 34.917 37.683 1.00 6.16 H new ATOM 0 HE2 PHE A 120 11.900 38.093 35.846 1.00 8.22 H new ATOM 0 HZ PHE A 120 10.416 36.274 35.840 1.00 7.83 H new ATOM 925 N ASP A 121 9.590 37.733 41.390 1.00 4.95 N ATOM 926 CA ASP A 121 8.441 36.930 41.899 1.00 3.71 C ATOM 927 C ASP A 121 7.861 35.860 41.034 1.00 10.26 C ATOM 928 O ASP A 121 7.419 34.866 41.594 1.00 7.51 O ATOM 929 CB ASP A 121 7.337 37.924 42.356 1.00 6.63 C ATOM 930 CG ASP A 121 6.498 37.351 43.526 1.00 8.48 C ATOM 931 OD1 ASP A 121 7.047 36.930 44.492 1.00 10.72 O ATOM 932 OD2 ASP A 121 5.264 37.465 43.322 1.00 6.89 O ATOM 0 H ASP A 121 9.376 38.408 40.902 1.00 4.95 H new ATOM 0 HA ASP A 121 8.818 36.400 42.619 1.00 3.71 H new ATOM 0 HB2 ASP A 121 7.747 38.759 42.630 1.00 6.63 H new ATOM 0 HB3 ASP A 121 6.754 38.126 41.608 1.00 6.63 H new ATOM 933 N ALA A 122 7.842 36.089 39.712 1.00 5.41 N ATOM 934 CA ALA A 122 7.171 35.095 38.848 1.00 2.10 C ATOM 935 C ALA A 122 7.153 35.669 37.424 1.00 12.80 C ATOM 936 O ALA A 122 7.441 36.854 37.272 1.00 9.02 O ATOM 937 CB ALA A 122 5.645 35.133 39.306 1.00 16.60 C ATOM 0 H ALA A 122 8.187 36.768 39.313 1.00 5.41 H new ATOM 0 HA ALA A 122 7.591 34.222 38.893 1.00 2.10 H new ATOM 0 HB1 ALA A 122 5.133 34.500 38.779 1.00 16.60 H new ATOM 0 HB2 ALA A 122 5.583 34.897 40.245 1.00 16.60 H new ATOM 0 HB3 ALA A 122 5.289 36.026 39.174 1.00 16.60 H new ATOM 938 N SER A 123 6.829 34.789 36.509 1.00 8.87 N ATOM 939 CA SER A 123 6.691 35.248 35.085 1.00 9.26 C ATOM 940 C SER A 123 5.262 34.713 34.729 1.00 4.50 C ATOM 941 O SER A 123 4.911 33.642 35.289 1.00 11.88 O ATOM 942 CB SER A 123 7.739 34.675 34.119 1.00 7.90 C ATOM 943 OG SER A 123 7.678 33.260 34.221 1.00 16.58 O ATOM 0 H SER A 123 6.684 33.953 36.649 1.00 8.87 H new ATOM 0 HA SER A 123 6.821 36.205 34.999 1.00 9.26 H new ATOM 0 HB2 SER A 123 7.558 34.960 33.210 1.00 7.90 H new ATOM 0 HB3 SER A 123 8.626 34.996 34.346 1.00 7.90 H new ATOM 0 HG SER A 123 8.398 32.928 33.943 1.00 16.58 H new ATOM 944 N VAL A 124 4.652 35.439 33.865 1.00 9.19 N ATOM 945 CA VAL A 124 3.299 35.057 33.458 1.00 12.74 C ATOM 946 C VAL A 124 3.162 35.210 31.933 1.00 13.07 C ATOM 947 O VAL A 124 2.110 34.636 31.526 1.00 22.82 O ATOM 948 CB VAL A 124 2.237 35.860 34.272 1.00 25.72 C ATOM 949 CG1 VAL A 124 2.330 35.477 35.746 1.00 29.48 C ATOM 950 CG2 VAL A 124 2.329 37.351 34.068 1.00 27.24 C ATOM 951 OXT VAL A 124 3.784 36.127 31.373 1.00 11.51 O ATOM 0 H VAL A 124 4.970 36.146 33.493 1.00 9.19 H new ATOM 0 HA VAL A 124 3.134 34.123 33.662 1.00 12.74 H new ATOM 0 HB VAL A 124 1.361 35.616 33.935 1.00 25.72 H new ATOM 0 HG11 VAL A 124 1.670 35.976 36.252 1.00 29.48 H new ATOM 0 HG12 VAL A 124 2.162 34.527 35.845 1.00 29.48 H new ATOM 0 HG13 VAL A 124 3.217 35.685 36.079 1.00 29.48 H new ATOM 0 HG21 VAL A 124 1.647 37.793 34.597 1.00 27.24 H new ATOM 0 HG22 VAL A 124 3.205 37.662 34.345 1.00 27.24 H new ATOM 0 HG23 VAL A 124 2.195 37.558 33.130 1.00 27.24 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