USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE (NUCLEIC ACID,RNA) 13-AUG-91 9RAT TITLE EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY TITLE 2 CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE TITLE 3 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.TILTON JR.,J.C.DEWAN,G.A.PETSKO,W.GILBERT REVDAT 5 07-JUL-10 9RAT 1 AUTHOR REVDAT 4 23-JUN-10 9RAT 1 JRNL REVDAT 3 24-FEB-09 9RAT 1 VERSN REVDAT 2 01-APR-03 9RAT 1 JRNL REVDAT 1 15-JUL-93 9RAT 0 JRNL AUTH R.F.TILTON JR.,J.C.DEWAN,G.A.PETSKO JRNL TITL EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: JRNL TITL 2 X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A JRNL TITL 3 AT NINE DIFFERENT 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 CRYSTALS REMARK 1 TITL 2 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 : 12373 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) : 0.191 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) : 0.030 ; 0.030 REMARK 3 ANGLE DISTANCE (A) : 0.045 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.053 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.020 ; 0.025 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.170 ; 0.150 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 3.300 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 17.400; 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 9RAT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.19 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17 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 19.15000 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 0.079 REMARK 500 HIS A 12 CE1 HIS A 12 NE2 0.160 REMARK 500 SER A 15 CB SER A 15 OG 0.100 REMARK 500 SER A 90 CB SER A 90 OG 0.091 REMARK 500 PRO A 117 CD PRO A 117 N 0.109 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 ALA A 6 O - C - N ANGL. DEV. = 13.0 DEGREES REMARK 500 PHE A 8 CB - CG - CD2 ANGL. DEV. = -4.9 DEGREES REMARK 500 ARG A 10 CD - NE - CZ ANGL. DEV. = 9.0 DEGREES REMARK 500 ARG A 10 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES REMARK 500 ARG A 10 NE - CZ - NH2 ANGL. DEV. = 5.8 DEGREES REMARK 500 ASP A 14 CB - CG - OD1 ANGL. DEV. = 6.7 DEGREES REMARK 500 THR A 17 CA - CB - CG2 ANGL. DEV. = -9.6 DEGREES REMARK 500 ALA A 20 CB - CA - C ANGL. DEV. = 10.0 DEGREES REMARK 500 ALA A 20 N - CA - CB ANGL. DEV. = -10.9 DEGREES REMARK 500 TYR A 25 CB - CG - CD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 TYR A 25 CD1 - CG - CD2 ANGL. DEV. = 6.6 DEGREES REMARK 500 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 LEU A 35 CA - CB - CG ANGL. DEV. = -14.7 DEGREES REMARK 500 PHE A 46 CB - CG - CD1 ANGL. DEV. = -6.3 DEGREES REMARK 500 ASP A 53 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -7.4 DEGREES REMARK 500 THR A 70 N - CA - CB ANGL. DEV. = -11.6 DEGREES REMARK 500 TYR A 73 CB - CG - CD2 ANGL. DEV. = 7.7 DEGREES REMARK 500 TYR A 73 CB - CG - CD1 ANGL. DEV. = -5.8 DEGREES REMARK 500 TYR A 73 CG - CD2 - CE2 ANGL. DEV. = 6.0 DEGREES REMARK 500 SER A 80 N - CA - CB ANGL. DEV. = 9.2 DEGREES REMARK 500 SER A 80 O - C - N ANGL. DEV. = 13.4 DEGREES REMARK 500 GLU A 86 OE1 - CD - OE2 ANGL. DEV. = 12.5 DEGREES REMARK 500 PRO A 93 O - C - N ANGL. DEV. = 11.1 DEGREES REMARK 500 TYR A 97 N - CA - CB ANGL. DEV. = 11.2 DEGREES REMARK 500 TYR A 97 CB - CG - CD2 ANGL. DEV. = -8.1 DEGREES REMARK 500 TYR A 97 CD1 - CG - CD2 ANGL. DEV. = 6.8 DEGREES REMARK 500 TYR A 97 CG - CD2 - CE2 ANGL. DEV. = -5.1 DEGREES REMARK 500 TYR A 97 CA - C - N ANGL. DEV. = -14.4 DEGREES REMARK 500 TYR A 97 O - C - N ANGL. DEV. = 11.8 DEGREES REMARK 500 TYR A 115 O - C - N ANGL. DEV. = 9.8 DEGREES REMARK 500 PHE A 120 CB - CG - CD2 ANGL. DEV. = -5.4 DEGREES REMARK 500 SER A 123 N - CA - CB ANGL. DEV. = 10.0 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 HIS A 48 61.96 -101.87 REMARK 500 GLN A 60 -133.23 -107.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 TYR A 97 24.8 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL DBREF 9RAT A 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 SHEET 1 A 3 VAL A 43 VAL A 47 0 SHEET 2 A 3 MET A 79 GLU A 86 -1 N THR A 82 O PHE A 46 SHEET 3 A 3 TYR A 97 LYS A 104 -1 N LYS A 98 O ARG A 85 SHEET 1 B 4 LYS A 61 VAL A 63 0 SHEET 2 B 4 CYS A 72 GLN A 74 -1 O CYS A 72 N VAL A 63 SHEET 3 B 4 ILE A 106 GLU A 111 -1 O VAL A 108 N TYR A 73 SHEET 4 B 4 VAL A 116 SER A 123 -1 O VAL A 116 N GLU A 111 SSBOND *** CYS A 26 CYS A 84 1555 1555 2.13 SSBOND *** CYS A 40 CYS A 95 1555 1555 2.06 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.14 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.16 CISPEP 1 TYR A 92 PRO A 93 0 2.58 CISPEP 2 ASN A 113 PRO A 114 0 1.58 CRYST1 30.400 38.300 53.300 90.00 106.90 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 0.032895 0.000000 0.009994 0.00000 SCALE2 0.000000 0.026110 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019609 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 -160:sc= 0 USER MOD Set 2.1: A 17 THR OG1 : rot -99:sc= 0.518 USER MOD Set 2.2: A 25 TYR OH : rot -3:sc= 1.31 USER MOD Set 2.3: A 29 MET CE :methyl -171:sc= -0.0552 (180deg=-0.0962) USER MOD Set 2.4: A 48 HIS : +bothHN:sc= 1.37 K(o=7.5,f=-3.2!) USER MOD Set 2.5: A 80 SER OG : rot -162:sc= 1.53 USER MOD Set 2.6: A 82 THR OG1 : rot -29:sc= 1.45 USER MOD Set 2.7: A 101 GLN : amide:sc= 1.4 K(o=7.5,f=1.8) USER MOD Set 3.1: A 73 TYR OH : rot 180:sc= 0.511 USER MOD Set 3.2: A 115 TYR OH : rot 175:sc= 0.944 USER MOD Set 4.1: A 67 ASN : amide:sc= 0.424 K(o=2.5,f=-2) USER MOD Set 4.2: A 69 GLN : amide:sc= 1.21 K(o=2.5,f=-3.7) USER MOD Set 4.3: A 71 ASN : amide:sc= 0.823 K(o=2.5,f=-6.5!) USER MOD Set 5.1: A 12 HIS : no HE2:sc= 0.341 K(o=3.7,f=1.2!) USER MOD Set 5.2: A 41 LYS NZ :NH3+ -176:sc= 1.18 (180deg=0) USER MOD Set 5.3: A 44 ASN : amide:sc= 2.16 K(o=3.7,f=-12!) USER MOD Set 6.1: A 34 ASN :FLIP amide:sc= -3.33! C(o=-11!,f=-3.2!) USER MOD Set 6.2: A 37 LYS NZ :NH3+ 152:sc= 0.159 (180deg=-0.458) USER MOD Set 7.1: A 30 MET CE :methyl 135:sc= -0.226 (180deg=-0.393) USER MOD Set 7.2: A 97 TYR OH : rot 178:sc= 1.36 USER MOD Single : A 1 LYS N :NH3+ 163:sc= 0.0447 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 147:sc= -0.0933 (180deg=-0.864) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0808 K(o=-0.081,f=-1.5!) USER MOD Single : A 13 MET CE :methyl -167:sc= -0.505 (180deg=-0.945) USER MOD Single : A 15 SER OG : rot -64:sc= 0.955 USER MOD Single : A 16 SER OG : rot -47:sc= 1.29 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 22 SER OG : rot 180:sc= 0.031 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.11) USER MOD Single : A 27 ASN : amide:sc= 0.625 K(o=0.62,f=-7.3!) USER MOD Single : A 28 GLN : amide:sc=-0.00993 K(o=-0.0099,f=-0.73) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.3!) USER MOD Single : A 59 SER OG : rot -50:sc= 0.191 USER MOD Single : A 60 GLN : amide:sc= -0.675 K(o=-0.68,f=-4.4!) USER MOD Single : A 61 LYS NZ :NH3+ 126:sc= -0.0535 (180deg=-0.218) USER MOD Single : A 62 ASN : amide:sc= 1.25 K(o=1.2,f=-0.027) 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 X(o=0,f=-0.34) USER MOD Single : A 75 SER OG : rot 101:sc= 1.39 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -94:sc= 0.935 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00694 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 -114:sc= 0.307 USER MOD Single : A 91 LYS NZ :NH3+ -151:sc= -0.83! (180deg=-2.7!) USER MOD Single : A 92 TYR OH : rot 4:sc= 0.985 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -74:sc= -1.44! 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) USER MOD Single : A 105 HIS :FLIP no HE2:sc= 0.341 F(o=-2.5!,f=0.34) USER MOD Single : A 113 ASN : amide:sc=-0.00445 X(o=-0.0045,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0.00524 X(o=0.0052,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 27.844 45.615 53.140 1.00 16.74 N ATOM 2 CA LYS A 1 27.543 44.351 52.528 1.00 7.77 C ATOM 3 C LYS A 1 26.897 44.619 51.151 1.00 18.82 C ATOM 4 O LYS A 1 26.549 45.807 50.896 1.00 22.89 O ATOM 5 CB LYS A 1 26.808 43.394 53.446 1.00 20.37 C ATOM 6 CG LYS A 1 25.754 44.045 54.313 1.00 34.16 C ATOM 7 CD LYS A 1 24.884 43.011 54.976 1.00 25.32 C ATOM 8 CE LYS A 1 23.380 43.317 54.823 1.00 49.51 C ATOM 9 NZ LYS A 1 23.100 43.356 53.344 1.00 20.34 N ATOM 0 H1 LYS A 1 27.982 45.498 54.011 1.00 16.74 H new ATOM 0 H2 LYS A 1 28.576 45.959 52.768 1.00 16.74 H new ATOM 0 H3 LYS A 1 27.161 46.173 53.021 1.00 16.74 H new ATOM 0 HA LYS A 1 28.359 43.854 52.363 1.00 7.77 H new ATOM 0 HB2 LYS A 1 26.388 42.705 52.908 1.00 20.37 H new ATOM 0 HB3 LYS A 1 27.454 42.952 54.019 1.00 20.37 H new ATOM 0 HG2 LYS A 1 26.181 44.594 54.989 1.00 34.16 H new ATOM 0 HG3 LYS A 1 25.206 44.635 53.773 1.00 34.16 H new ATOM 0 HD2 LYS A 1 25.074 42.140 54.594 1.00 25.32 H new ATOM 0 HD3 LYS A 1 25.107 42.962 55.919 1.00 25.32 H new ATOM 0 HE2 LYS A 1 22.843 42.636 55.258 1.00 49.51 H new ATOM 0 HE3 LYS A 1 23.156 44.164 55.239 1.00 49.51 H new ATOM 0 HZ1 LYS A 1 22.276 43.056 53.190 1.00 20.34 H new ATOM 0 HZ2 LYS A 1 23.171 44.193 53.050 1.00 20.34 H new ATOM 0 HZ3 LYS A 1 23.687 42.842 52.917 1.00 20.34 H new ATOM 10 N GLU A 2 26.750 43.624 50.335 1.00 16.43 N ATOM 11 CA GLU A 2 26.105 43.930 48.958 1.00 10.48 C ATOM 12 C GLU A 2 24.705 44.390 49.162 1.00 7.32 C ATOM 13 O GLU A 2 24.016 43.853 50.029 1.00 9.02 O ATOM 14 CB GLU A 2 26.109 42.704 48.142 1.00 20.92 C ATOM 15 CG GLU A 2 25.692 42.704 46.612 1.00 9.36 C ATOM 16 CD GLU A 2 25.481 41.249 46.306 1.00 1.21 C ATOM 17 OE1 GLU A 2 25.051 40.445 47.122 1.00 10.02 O ATOM 18 OE2 GLU A 2 25.793 40.828 45.082 1.00 10.89 O ATOM 0 H GLU A 2 26.976 42.807 50.482 1.00 16.43 H new ATOM 0 HA GLU A 2 26.608 44.624 48.504 1.00 10.48 H new ATOM 0 HB2 GLU A 2 27.008 42.343 48.186 1.00 20.92 H new ATOM 0 HB3 GLU A 2 25.527 42.070 48.589 1.00 20.92 H new ATOM 0 HG2 GLU A 2 24.885 43.221 46.462 1.00 9.36 H new ATOM 0 HG3 GLU A 2 26.385 43.090 46.053 1.00 9.36 H new ATOM 19 N THR A 3 24.223 45.385 48.346 1.00 27.65 N ATOM 20 CA THR A 3 22.824 45.807 48.550 1.00 13.12 C ATOM 21 C THR A 3 21.840 44.773 47.887 1.00 4.19 C ATOM 22 O THR A 3 22.254 43.930 47.122 1.00 19.43 O ATOM 23 CB THR A 3 22.598 47.224 48.091 1.00 14.41 C ATOM 24 OG1 THR A 3 22.880 47.300 46.765 1.00 13.75 O ATOM 25 CG2 THR A 3 23.475 48.181 48.907 1.00 50.34 C ATOM 0 H THR A 3 24.659 45.789 47.724 1.00 27.65 H new ATOM 0 HA THR A 3 22.634 45.810 49.501 1.00 13.12 H new ATOM 0 HB THR A 3 21.674 47.483 48.230 1.00 14.41 H new ATOM 0 HG1 THR A 3 22.756 48.086 46.497 1.00 13.75 H new ATOM 0 HG21 THR A 3 23.326 49.092 48.608 1.00 50.34 H new ATOM 0 HG22 THR A 3 23.246 48.108 49.847 1.00 50.34 H new ATOM 0 HG23 THR A 3 24.409 47.949 48.783 1.00 50.34 H new ATOM 26 N ALA A 4 20.621 44.888 48.397 1.00 12.35 N ATOM 27 CA ALA A 4 19.499 44.045 47.887 1.00 5.94 C ATOM 28 C ALA A 4 19.401 44.466 46.408 1.00 17.41 C ATOM 29 O ALA A 4 19.162 43.585 45.592 1.00 20.51 O ATOM 30 CB ALA A 4 18.218 44.428 48.601 1.00 18.14 C ATOM 0 H ALA A 4 20.407 45.432 49.028 1.00 12.35 H new ATOM 0 HA ALA A 4 19.636 43.093 48.015 1.00 5.94 H new ATOM 0 HB1 ALA A 4 17.488 43.881 48.271 1.00 18.14 H new ATOM 0 HB2 ALA A 4 18.324 44.285 49.555 1.00 18.14 H new ATOM 0 HB3 ALA A 4 18.022 45.363 48.435 1.00 18.14 H new ATOM 31 N ALA A 5 19.601 45.692 46.051 1.00 10.67 N ATOM 32 CA ALA A 5 19.563 46.190 44.674 1.00 7.79 C ATOM 33 C ALA A 5 20.692 45.500 43.858 1.00 20.43 C ATOM 34 O ALA A 5 20.471 45.117 42.685 1.00 7.87 O ATOM 35 CB ALA A 5 19.715 47.683 44.572 1.00 20.95 C ATOM 0 H ALA A 5 19.775 46.311 46.622 1.00 10.67 H new ATOM 0 HA ALA A 5 18.687 45.976 44.317 1.00 7.79 H new ATOM 0 HB1 ALA A 5 19.682 47.949 43.640 1.00 20.95 H new ATOM 0 HB2 ALA A 5 18.995 48.116 45.057 1.00 20.95 H new ATOM 0 HB3 ALA A 5 20.566 47.949 44.953 1.00 20.95 H new ATOM 36 N ALA A 6 21.890 45.462 44.419 1.00 20.08 N ATOM 37 CA ALA A 6 23.049 44.888 43.705 1.00 24.94 C ATOM 38 C ALA A 6 22.959 43.317 43.603 1.00 11.99 C ATOM 39 O ALA A 6 23.496 42.819 42.634 1.00 6.99 O ATOM 40 CB ALA A 6 24.337 45.232 44.470 1.00 26.62 C ATOM 0 H ALA A 6 22.065 45.758 45.207 1.00 20.08 H new ATOM 0 HA ALA A 6 23.053 45.263 42.810 1.00 24.94 H new ATOM 0 HB1 ALA A 6 25.100 44.857 44.004 1.00 26.62 H new ATOM 0 HB2 ALA A 6 24.434 46.196 44.524 1.00 26.62 H new ATOM 0 HB3 ALA A 6 24.291 44.861 45.365 1.00 26.62 H new ATOM 41 N LYS A 7 22.299 42.858 44.674 1.00 7.76 N ATOM 42 CA LYS A 7 22.116 41.364 44.776 1.00 10.92 C ATOM 43 C LYS A 7 21.241 40.943 43.552 1.00 9.98 C ATOM 44 O LYS A 7 21.382 39.947 42.889 1.00 4.85 O ATOM 45 CB LYS A 7 21.562 40.904 46.000 1.00 10.31 C ATOM 46 CG LYS A 7 21.363 39.372 46.255 1.00 18.78 C ATOM 47 CD LYS A 7 20.595 39.143 47.581 1.00 11.15 C ATOM 48 CE LYS A 7 19.971 37.764 47.632 1.00 55.55 C ATOM 49 NZ LYS A 7 18.511 37.840 47.836 1.00 29.31 N ATOM 0 H LYS A 7 21.968 43.332 45.311 1.00 7.76 H new ATOM 0 HA LYS A 7 22.991 40.945 44.765 1.00 10.92 H new ATOM 0 HB2 LYS A 7 22.124 41.243 46.714 1.00 10.31 H new ATOM 0 HB3 LYS A 7 20.694 41.326 46.098 1.00 10.31 H new ATOM 0 HG2 LYS A 7 20.873 38.976 45.518 1.00 18.78 H new ATOM 0 HG3 LYS A 7 22.225 38.929 46.293 1.00 18.78 H new ATOM 0 HD2 LYS A 7 21.201 39.253 48.330 1.00 11.15 H new ATOM 0 HD3 LYS A 7 19.903 39.816 47.675 1.00 11.15 H new ATOM 0 HE2 LYS A 7 20.160 37.291 46.806 1.00 55.55 H new ATOM 0 HE3 LYS A 7 20.373 37.252 48.351 1.00 55.55 H new ATOM 0 HZ1 LYS A 7 18.171 37.018 47.862 1.00 29.31 H new ATOM 0 HZ2 LYS A 7 18.340 38.256 48.604 1.00 29.31 H new ATOM 0 HZ3 LYS A 7 18.140 38.293 47.165 1.00 29.31 H new ATOM 50 N PHE A 8 20.178 41.785 43.450 1.00 11.93 N ATOM 51 CA PHE A 8 19.272 41.479 42.328 1.00 2.38 C ATOM 52 C PHE A 8 20.040 41.517 41.003 1.00 1.42 C ATOM 53 O PHE A 8 19.710 40.598 40.187 1.00 9.19 O ATOM 54 CB PHE A 8 18.102 42.551 42.277 1.00 8.05 C ATOM 55 CG PHE A 8 17.182 42.321 41.105 1.00 2.59 C ATOM 56 CD1 PHE A 8 17.371 42.858 39.881 1.00 26.59 C ATOM 57 CD2 PHE A 8 15.903 41.670 41.411 1.00 6.18 C ATOM 58 CE1 PHE A 8 16.404 42.666 38.861 1.00 13.39 C ATOM 59 CE2 PHE A 8 14.936 41.479 40.493 1.00 6.24 C ATOM 60 CZ PHE A 8 15.247 42.015 39.167 1.00 1.61 C ATOM 0 H PHE A 8 19.985 42.455 43.954 1.00 11.93 H new ATOM 0 HA PHE A 8 18.902 40.592 42.461 1.00 2.38 H new ATOM 0 HB2 PHE A 8 17.592 42.512 43.101 1.00 8.05 H new ATOM 0 HB3 PHE A 8 18.482 43.442 42.220 1.00 8.05 H new ATOM 0 HD1 PHE A 8 18.137 43.355 39.706 1.00 26.59 H new ATOM 0 HD2 PHE A 8 15.753 41.375 42.280 1.00 6.18 H new ATOM 0 HE1 PHE A 8 16.557 42.979 37.999 1.00 13.39 H new ATOM 0 HE2 PHE A 8 14.137 41.043 40.686 1.00 6.24 H new ATOM 0 HZ PHE A 8 14.616 41.904 38.492 1.00 1.61 H new ATOM 61 N GLU A 9 20.878 42.513 40.748 1.00 10.65 N ATOM 62 CA GLU A 9 21.554 42.475 39.422 1.00 15.20 C ATOM 63 C GLU A 9 22.360 41.249 39.269 1.00 25.39 C ATOM 64 O GLU A 9 22.473 40.598 38.198 1.00 4.35 O ATOM 65 CB GLU A 9 22.437 43.700 39.218 1.00 23.34 C ATOM 66 CG GLU A 9 21.815 45.079 38.963 1.00 23.07 C ATOM 67 CD GLU A 9 22.773 46.228 38.912 1.00 28.67 C ATOM 68 OE1 GLU A 9 23.811 45.998 38.198 1.00 26.62 O ATOM 69 OE2 GLU A 9 22.572 47.339 39.473 1.00 33.53 O ATOM 0 H GLU A 9 21.069 43.172 41.266 1.00 10.65 H new ATOM 0 HA GLU A 9 20.858 42.477 38.746 1.00 15.20 H new ATOM 0 HB2 GLU A 9 22.999 43.781 40.004 1.00 23.34 H new ATOM 0 HB3 GLU A 9 23.023 43.508 38.469 1.00 23.34 H new ATOM 0 HG2 GLU A 9 21.331 45.046 38.123 1.00 23.07 H new ATOM 0 HG3 GLU A 9 21.163 45.254 39.659 1.00 23.07 H new ATOM 70 N ARG A 10 23.069 40.904 40.340 1.00 4.54 N ATOM 71 CA ARG A 10 23.981 39.717 40.340 1.00 2.88 C ATOM 72 C ARG A 10 23.162 38.453 40.034 1.00 0.63 C ATOM 73 O ARG A 10 23.607 37.572 39.269 1.00 10.79 O ATOM 74 CB ARG A 10 24.657 39.449 41.716 1.00 0.50 C ATOM 75 CG ARG A 10 25.644 38.300 41.767 1.00 6.05 C ATOM 76 CD ARG A 10 26.549 38.491 42.991 1.00 3.37 C ATOM 77 NE ARG A 10 25.783 38.453 44.113 1.00 6.60 N ATOM 78 CZ ARG A 10 25.292 37.457 44.827 1.00 6.77 C ATOM 79 NH1 ARG A 10 25.341 36.193 44.266 1.00 6.08 N ATOM 80 NH2 ARG A 10 24.602 37.572 46.000 1.00 9.35 N ATOM 0 H ARG A 10 23.048 41.333 41.085 1.00 4.54 H new ATOM 0 HA ARG A 10 24.664 39.912 39.679 1.00 2.88 H new ATOM 0 HB2 ARG A 10 25.116 40.257 41.992 1.00 0.50 H new ATOM 0 HB3 ARG A 10 23.960 39.281 42.370 1.00 0.50 H new ATOM 0 HG2 ARG A 10 25.174 37.454 41.824 1.00 6.05 H new ATOM 0 HG3 ARG A 10 26.175 38.275 40.956 1.00 6.05 H new ATOM 0 HD2 ARG A 10 27.224 37.795 43.021 1.00 3.37 H new ATOM 0 HD3 ARG A 10 27.018 39.338 42.933 1.00 3.37 H new ATOM 0 HE ARG A 10 25.578 39.231 44.418 1.00 6.60 H new ATOM 0 HH11 ARG A 10 25.681 36.083 43.484 1.00 6.08 H new ATOM 0 HH12 ARG A 10 25.031 35.518 44.699 1.00 6.08 H new ATOM 0 HH21 ARG A 10 24.453 38.349 46.337 1.00 9.35 H new ATOM 0 HH22 ARG A 10 24.316 36.867 46.402 1.00 9.35 H new ATOM 81 N GLN A 11 22.094 38.185 40.748 1.00 5.06 N ATOM 82 CA GLN A 11 21.319 36.998 40.697 1.00 1.97 C ATOM 83 C GLN A 11 20.414 36.921 39.473 1.00 0.50 C ATOM 84 O GLN A 11 20.295 35.810 38.963 1.00 5.69 O ATOM 85 CB GLN A 11 20.308 36.959 41.920 1.00 2.88 C ATOM 86 CG GLN A 11 21.137 36.462 43.195 1.00 11.95 C ATOM 87 CD GLN A 11 20.173 36.040 44.266 1.00 15.05 C ATOM 88 OE1 GLN A 11 19.034 36.615 44.215 1.00 28.28 O ATOM 89 NE2 GLN A 11 20.487 35.121 45.133 1.00 37.20 N ATOM 0 H GLN A 11 21.786 38.747 41.321 1.00 5.06 H new ATOM 0 HA GLN A 11 21.967 36.276 40.694 1.00 1.97 H new ATOM 0 HB2 GLN A 11 19.927 37.837 42.079 1.00 2.88 H new ATOM 0 HB3 GLN A 11 19.569 36.358 41.736 1.00 2.88 H new ATOM 0 HG2 GLN A 11 21.714 35.721 42.952 1.00 11.95 H new ATOM 0 HG3 GLN A 11 21.710 37.173 43.521 1.00 11.95 H new ATOM 0 HE21 GLN A 11 21.271 34.768 45.120 1.00 37.20 H new ATOM 0 HE22 GLN A 11 19.910 34.867 45.718 1.00 37.20 H new ATOM 90 N HIS A 12 19.915 38.108 39.014 1.00 10.60 N ATOM 91 CA HIS A 12 18.963 38.032 37.943 1.00 4.36 C ATOM 92 C HIS A 12 19.244 38.760 36.719 1.00 15.73 C ATOM 93 O HIS A 12 18.398 38.415 35.801 1.00 10.49 O ATOM 94 CB HIS A 12 17.562 38.606 38.453 1.00 9.01 C ATOM 95 CG HIS A 12 17.144 37.879 39.728 1.00 7.85 C ATOM 96 ND1 HIS A 12 16.750 36.538 39.626 1.00 1.60 N ATOM 97 CD2 HIS A 12 17.046 38.262 40.952 1.00 1.21 C ATOM 98 CE1 HIS A 12 16.317 36.193 40.850 1.00 1.50 C ATOM 99 NE2 HIS A 12 16.691 37.266 41.818 1.00 3.88 N ATOM 0 H HIS A 12 20.114 38.894 39.302 1.00 10.60 H new ATOM 0 HA HIS A 12 18.984 37.090 37.714 1.00 4.36 H new ATOM 0 HB2 HIS A 12 17.635 39.558 38.622 1.00 9.01 H new ATOM 0 HB3 HIS A 12 16.886 38.490 37.767 1.00 9.01 H new ATOM 0 HD1 HIS A 12 16.779 36.040 38.926 1.00 1.60 H new ATOM 0 HD2 HIS A 12 17.203 39.138 41.223 1.00 1.21 H new ATOM 0 HE1 HIS A 12 15.858 35.412 41.060 1.00 1.50 H new ATOM 100 N MET A 13 20.278 39.564 36.617 1.00 9.68 N ATOM 101 CA MET A 13 20.438 40.292 35.291 1.00 11.95 C ATOM 102 C MET A 13 21.567 39.794 34.475 1.00 4.55 C ATOM 103 O MET A 13 22.690 39.449 34.781 1.00 11.43 O ATOM 104 CB MET A 13 20.726 41.824 35.444 1.00 19.12 C ATOM 105 CG MET A 13 19.582 42.551 36.107 1.00 27.05 C ATOM 106 SD MET A 13 18.083 42.590 35.138 1.00 9.77 S ATOM 107 CE MET A 13 18.685 42.819 33.455 1.00 17.08 C ATOM 0 H MET A 13 20.870 39.719 37.221 1.00 9.68 H new ATOM 0 HA MET A 13 19.582 40.126 34.866 1.00 11.95 H new ATOM 0 HB2 MET A 13 21.534 41.950 35.966 1.00 19.12 H new ATOM 0 HB3 MET A 13 20.890 42.210 34.570 1.00 19.12 H new ATOM 0 HG2 MET A 13 19.394 42.128 36.959 1.00 27.05 H new ATOM 0 HG3 MET A 13 19.857 43.462 36.297 1.00 27.05 H new ATOM 0 HE1 MET A 13 17.944 43.058 32.876 1.00 17.08 H new ATOM 0 HE2 MET A 13 19.347 43.528 33.442 1.00 17.08 H new ATOM 0 HE3 MET A 13 19.088 41.995 33.140 1.00 17.08 H new ATOM 108 N ASP A 14 21.180 39.602 33.149 1.00 6.75 N ATOM 109 CA ASP A 14 22.098 39.181 32.129 1.00 9.99 C ATOM 110 C ASP A 14 21.893 39.985 30.803 1.00 4.09 C ATOM 111 O ASP A 14 21.366 39.372 29.834 1.00 12.98 O ATOM 112 CB ASP A 14 22.100 37.687 31.721 1.00 8.02 C ATOM 113 CG ASP A 14 23.246 37.419 30.752 1.00 14.01 C ATOM 114 OD1 ASP A 14 24.099 38.223 30.446 1.00 9.84 O ATOM 115 OD2 ASP A 14 23.370 36.270 30.242 1.00 15.09 O ATOM 0 H ASP A 14 20.377 39.723 32.867 1.00 6.75 H new ATOM 0 HA ASP A 14 22.945 39.354 32.570 1.00 9.99 H new ATOM 0 HB2 ASP A 14 22.193 37.128 32.508 1.00 8.02 H new ATOM 0 HB3 ASP A 14 21.254 37.455 31.307 1.00 8.02 H new ATOM 116 N SER A 15 22.318 41.249 30.803 1.00 2.75 N ATOM 117 CA SER A 15 22.310 42.130 29.630 1.00 11.33 C ATOM 118 C SER A 15 23.259 41.824 28.508 1.00 13.95 C ATOM 119 O SER A 15 23.189 42.551 27.437 1.00 14.35 O ATOM 120 CB SER A 15 22.657 43.624 30.089 1.00 1.54 C ATOM 121 OG SER A 15 21.345 43.892 30.803 1.00 11.85 O ATOM 0 H SER A 15 22.629 41.631 31.508 1.00 2.75 H new ATOM 0 HA SER A 15 21.417 41.995 29.276 1.00 11.33 H new ATOM 0 HB2 SER A 15 23.430 43.677 30.673 1.00 1.54 H new ATOM 0 HB3 SER A 15 22.820 44.226 29.346 1.00 1.54 H new ATOM 0 HG SER A 15 20.714 43.870 30.248 1.00 11.85 H new ATOM 122 N SER A 16 24.155 40.943 28.661 1.00 16.23 N ATOM 123 CA SER A 16 25.179 40.598 27.692 1.00 12.30 C ATOM 124 C SER A 16 24.759 39.640 26.570 1.00 9.75 C ATOM 125 O SER A 16 25.571 39.487 25.601 1.00 11.10 O ATOM 126 CB SER A 16 26.451 40.023 28.406 1.00 18.12 C ATOM 127 OG SER A 16 26.174 38.721 29.018 1.00 27.06 O ATOM 0 H SER A 16 24.213 40.475 29.380 1.00 16.23 H new ATOM 0 HA SER A 16 25.367 41.442 27.253 1.00 12.30 H new ATOM 0 HB2 SER A 16 27.173 39.934 27.764 1.00 18.12 H new ATOM 0 HB3 SER A 16 26.752 40.645 29.087 1.00 18.12 H new ATOM 0 HG SER A 16 25.458 38.763 29.456 1.00 27.06 H new ATOM 128 N THR A 17 23.710 38.989 26.723 1.00 8.37 N ATOM 129 CA THR A 17 23.152 38.032 25.856 1.00 8.69 C ATOM 130 C THR A 17 21.648 38.300 25.805 1.00 9.23 C ATOM 131 O THR A 17 21.080 38.645 26.774 1.00 9.09 O ATOM 132 CB THR A 17 23.408 36.500 26.315 1.00 1.74 C ATOM 133 OG1 THR A 17 22.732 36.308 27.539 1.00 11.97 O ATOM 134 CG2 THR A 17 24.883 36.385 26.264 1.00 7.32 C ATOM 0 H THR A 17 23.226 39.096 27.426 1.00 8.37 H new ATOM 0 HA THR A 17 23.581 38.122 24.991 1.00 8.69 H new ATOM 0 HB THR A 17 23.054 35.778 25.773 1.00 1.74 H new ATOM 0 HG1 THR A 17 23.279 36.370 28.174 1.00 11.97 H new ATOM 0 HG21 THR A 17 25.147 35.489 26.526 1.00 7.32 H new ATOM 0 HG22 THR A 17 25.191 36.562 25.361 1.00 7.32 H new ATOM 0 HG23 THR A 17 25.279 37.029 26.872 1.00 7.32 H new ATOM 135 N SER A 18 21.123 38.032 24.530 1.00 24.02 N ATOM 136 CA SER A 18 19.711 38.185 24.275 1.00 27.06 C ATOM 137 C SER A 18 18.873 36.959 24.632 1.00 13.87 C ATOM 138 O SER A 18 17.686 37.189 24.836 1.00 12.85 O ATOM 139 CB SER A 18 19.431 38.453 22.796 1.00 10.44 C ATOM 140 OG SER A 18 20.317 37.687 21.980 1.00 24.47 O ATOM 0 H SER A 18 21.588 37.773 23.855 1.00 24.02 H new ATOM 0 HA SER A 18 19.460 38.931 24.842 1.00 27.06 H new ATOM 0 HB2 SER A 18 18.511 38.226 22.588 1.00 10.44 H new ATOM 0 HB3 SER A 18 19.540 39.398 22.605 1.00 10.44 H new ATOM 0 HG SER A 18 20.155 37.840 21.170 1.00 24.47 H new ATOM 141 N ALA A 19 19.587 35.849 24.785 1.00 4.60 N ATOM 142 CA ALA A 19 18.870 34.585 25.142 1.00 10.28 C ATOM 143 C ALA A 19 19.947 33.589 25.601 1.00 24.83 C ATOM 144 O ALA A 19 21.073 33.896 25.295 1.00 8.48 O ATOM 145 CB ALA A 19 18.102 34.049 23.969 1.00 34.20 C ATOM 0 H ALA A 19 20.440 35.786 24.697 1.00 4.60 H new ATOM 0 HA ALA A 19 18.219 34.741 25.844 1.00 10.28 H new ATOM 0 HB1 ALA A 19 17.647 33.232 24.226 1.00 34.20 H new ATOM 0 HB2 ALA A 19 17.448 34.706 23.683 1.00 34.20 H new ATOM 0 HB3 ALA A 19 18.713 33.863 23.239 1.00 34.20 H new ATOM 146 N ALA A 20 19.503 32.517 26.162 1.00 1.32 N ATOM 147 CA ALA A 20 20.519 31.444 26.519 1.00 4.77 C ATOM 148 C ALA A 20 20.891 30.755 25.295 1.00 33.17 C ATOM 149 O ALA A 20 19.937 30.295 24.632 1.00 11.32 O ATOM 150 CB ALA A 20 19.738 30.717 27.590 1.00 8.89 C ATOM 0 H ALA A 20 18.682 32.348 26.356 1.00 1.32 H new ATOM 0 HA ALA A 20 21.394 31.679 26.866 1.00 4.77 H new ATOM 0 HB1 ALA A 20 20.267 29.979 27.932 1.00 8.89 H new ATOM 0 HB2 ALA A 20 19.533 31.330 28.314 1.00 8.89 H new ATOM 0 HB3 ALA A 20 18.912 30.375 27.213 1.00 8.89 H new ATOM 151 N SER A 21 22.125 30.640 24.836 1.00 15.92 N ATOM 152 CA SER A 21 22.375 29.951 23.510 1.00 48.64 C ATOM 153 C SER A 21 22.679 28.495 23.510 1.00 56.08 C ATOM 154 O SER A 21 22.853 27.959 22.337 1.00 17.62 O ATOM 155 CB SER A 21 23.534 30.717 22.898 1.00 58.65 C ATOM 156 OG SER A 21 24.577 30.640 23.867 1.00 25.62 O ATOM 0 H SER A 21 22.828 30.932 25.236 1.00 15.92 H new ATOM 0 HA SER A 21 21.539 29.971 23.018 1.00 48.64 H new ATOM 0 HB2 SER A 21 23.808 30.325 22.054 1.00 58.65 H new ATOM 0 HB3 SER A 21 23.290 31.638 22.717 1.00 58.65 H new ATOM 0 HG SER A 21 25.254 31.048 23.583 1.00 25.62 H new ATOM 157 N SER A 22 22.703 27.806 24.632 1.00 14.74 N ATOM 158 CA SER A 22 23.097 26.427 24.836 1.00 11.12 C ATOM 159 C SER A 22 22.497 25.891 26.111 1.00 22.87 C ATOM 160 O SER A 22 22.051 26.618 27.080 1.00 12.54 O ATOM 161 CB SER A 22 24.633 26.312 24.785 1.00 12.69 C ATOM 162 OG SER A 22 25.203 26.197 26.009 1.00 28.60 O ATOM 0 H SER A 22 22.464 28.172 25.372 1.00 14.74 H new ATOM 0 HA SER A 22 22.749 25.872 24.121 1.00 11.12 H new ATOM 0 HB2 SER A 22 24.876 25.541 24.248 1.00 12.69 H new ATOM 0 HB3 SER A 22 24.995 27.094 24.339 1.00 12.69 H new ATOM 0 HG SER A 22 26.037 26.136 25.926 1.00 28.60 H new ATOM 163 N SER A 23 22.375 24.589 26.213 1.00 11.23 N ATOM 164 CA SER A 23 21.836 23.937 27.386 1.00 11.15 C ATOM 165 C SER A 23 22.711 24.167 28.610 1.00 27.06 C ATOM 166 O SER A 23 22.248 24.091 29.732 1.00 15.66 O ATOM 167 CB SER A 23 21.534 22.444 27.080 1.00 6.39 C ATOM 168 OG SER A 23 22.887 21.869 27.029 1.00 11.72 O ATOM 0 H SER A 23 22.608 24.044 25.590 1.00 11.23 H new ATOM 0 HA SER A 23 20.985 24.342 27.616 1.00 11.15 H new ATOM 0 HB2 SER A 23 20.990 22.034 27.770 1.00 6.39 H new ATOM 0 HB3 SER A 23 21.059 22.333 26.241 1.00 6.39 H new ATOM 0 HG SER A 23 22.836 21.046 26.867 1.00 11.72 H new ATOM 169 N ASN A 24 23.958 24.589 28.406 1.00 8.89 N ATOM 170 CA ASN A 24 24.848 24.818 29.579 1.00 14.25 C ATOM 171 C ASN A 24 24.739 26.197 30.140 1.00 9.49 C ATOM 172 O ASN A 24 25.341 26.465 31.160 1.00 12.75 O ATOM 173 CB ASN A 24 26.296 24.512 29.018 1.00 4.58 C ATOM 174 CG ASN A 24 26.537 23.018 29.324 1.00 46.84 C ATOM 175 OD1 ASN A 24 26.485 22.597 30.497 1.00 50.93 O ATOM 176 ND2 ASN A 24 26.741 22.329 28.253 1.00 33.46 N ATOM 0 H ASN A 24 24.309 24.747 27.637 1.00 8.89 H new ATOM 0 HA ASN A 24 24.608 24.253 30.330 1.00 14.25 H new ATOM 0 HB2 ASN A 24 26.348 24.688 28.066 1.00 4.58 H new ATOM 0 HB3 ASN A 24 26.964 25.070 29.446 1.00 4.58 H new ATOM 0 HD21 ASN A 24 26.860 21.479 28.305 1.00 33.46 H new ATOM 0 HD22 ASN A 24 26.758 22.720 27.487 1.00 33.46 H new ATOM 177 N TYR A 25 23.770 27.040 29.528 1.00 10.13 N ATOM 178 CA TYR A 25 23.767 28.419 30.038 1.00 7.23 C ATOM 179 C TYR A 25 23.697 28.495 31.568 1.00 13.52 C ATOM 180 O TYR A 25 24.514 29.223 32.180 1.00 12.45 O ATOM 181 CB TYR A 25 22.585 29.185 29.324 1.00 10.92 C ATOM 182 CG TYR A 25 22.476 30.602 29.783 1.00 15.42 C ATOM 183 CD1 TYR A 25 23.285 31.597 29.222 1.00 2.20 C ATOM 184 CD2 TYR A 25 21.497 30.831 30.803 1.00 8.38 C ATOM 185 CE1 TYR A 25 23.085 32.900 29.681 1.00 10.82 C ATOM 186 CE2 TYR A 25 21.358 32.134 31.262 1.00 16.70 C ATOM 187 CZ TYR A 25 22.136 33.130 30.701 1.00 17.78 C ATOM 188 OH TYR A 25 21.921 34.355 31.211 1.00 14.66 O ATOM 0 H TYR A 25 23.205 26.835 28.913 1.00 10.13 H new ATOM 0 HA TYR A 25 24.611 28.848 29.826 1.00 7.23 H new ATOM 0 HB2 TYR A 25 22.723 29.167 28.364 1.00 10.92 H new ATOM 0 HB3 TYR A 25 21.750 28.724 29.500 1.00 10.92 H new ATOM 0 HD1 TYR A 25 23.924 31.400 28.576 1.00 2.20 H new ATOM 0 HD2 TYR A 25 20.978 30.138 31.143 1.00 8.38 H new ATOM 0 HE1 TYR A 25 23.570 33.607 29.320 1.00 10.82 H new ATOM 0 HE2 TYR A 25 20.750 32.334 31.937 1.00 16.70 H new ATOM 0 HH TYR A 25 22.454 34.902 30.861 1.00 14.66 H new ATOM 189 N CYS A 26 22.797 27.767 32.129 1.00 5.03 N ATOM 190 CA CYS A 26 22.454 27.767 33.557 1.00 13.91 C ATOM 191 C CYS A 26 23.605 27.308 34.373 1.00 11.12 C ATOM 192 O CYS A 26 24.055 27.921 35.393 1.00 5.66 O ATOM 193 CB CYS A 26 21.146 26.925 33.761 1.00 17.61 C ATOM 194 SG CYS A 26 19.674 27.959 33.404 1.00 7.63 S ATOM 0 H CYS A 26 22.320 27.211 31.678 1.00 5.03 H new ATOM 0 HA CYS A 26 22.267 28.667 33.868 1.00 13.91 H new ATOM 0 HB2 CYS A 26 21.156 26.151 33.177 1.00 17.61 H new ATOM 0 HB3 CYS A 26 21.105 26.593 34.671 1.00 17.61 H new ATOM 195 N ASN A 27 24.231 26.197 33.914 1.00 2.10 N ATOM 196 CA ASN A 27 25.351 25.661 34.730 1.00 4.01 C ATOM 197 C ASN A 27 26.430 26.772 34.781 1.00 13.70 C ATOM 198 O ASN A 27 26.955 26.887 35.954 1.00 17.38 O ATOM 199 CB ASN A 27 25.900 24.320 34.322 1.00 5.00 C ATOM 200 CG ASN A 27 24.729 23.325 34.475 1.00 8.79 C ATOM 201 OD1 ASN A 27 23.949 23.440 35.342 1.00 6.85 O ATOM 202 ND2 ASN A 27 24.719 22.405 33.506 1.00 25.98 N ATOM 0 H ASN A 27 24.043 25.769 33.192 1.00 2.10 H new ATOM 0 HA ASN A 27 25.007 25.452 35.612 1.00 4.01 H new ATOM 0 HB2 ASN A 27 26.223 24.339 33.408 1.00 5.00 H new ATOM 0 HB3 ASN A 27 26.649 24.065 34.883 1.00 5.00 H new ATOM 0 HD21 ASN A 27 24.092 21.817 33.478 1.00 25.98 H new ATOM 0 HD22 ASN A 27 25.339 22.401 32.910 1.00 25.98 H new ATOM 203 N GLN A 28 26.664 27.346 33.710 1.00 8.59 N ATOM 204 CA GLN A 28 27.744 28.342 33.557 1.00 18.64 C ATOM 205 C GLN A 28 27.451 29.606 34.322 1.00 20.94 C ATOM 206 O GLN A 28 28.251 30.065 35.189 1.00 19.98 O ATOM 207 CB GLN A 28 27.905 28.648 32.027 1.00 7.55 C ATOM 208 CG GLN A 28 28.866 27.653 31.364 1.00 7.85 C ATOM 209 CD GLN A 28 28.723 27.614 29.834 1.00 66.14 C ATOM 210 OE1 GLN A 28 27.936 28.380 29.222 1.00 58.42 O ATOM 211 NE2 GLN A 28 29.426 26.695 29.222 1.00 55.22 N ATOM 0 H GLN A 28 26.217 27.204 32.989 1.00 8.59 H new ATOM 0 HA GLN A 28 28.568 27.982 33.921 1.00 18.64 H new ATOM 0 HB2 GLN A 28 27.039 28.604 31.592 1.00 7.55 H new ATOM 0 HB3 GLN A 28 28.237 29.552 31.908 1.00 7.55 H new ATOM 0 HG2 GLN A 28 29.778 27.890 31.593 1.00 7.85 H new ATOM 0 HG3 GLN A 28 28.704 26.766 31.722 1.00 7.85 H new ATOM 0 HE21 GLN A 28 29.955 26.188 29.672 1.00 55.22 H new ATOM 0 HE22 GLN A 28 29.359 26.598 28.370 1.00 55.22 H new ATOM 212 N MET A 29 26.251 30.065 34.169 1.00 5.40 N ATOM 213 CA MET A 29 25.700 31.329 34.781 1.00 14.75 C ATOM 214 C MET A 29 25.463 31.100 36.260 1.00 13.60 C ATOM 215 O MET A 29 25.824 32.019 37.076 1.00 11.31 O ATOM 216 CB MET A 29 24.442 31.866 34.118 1.00 15.00 C ATOM 217 CG MET A 29 24.602 32.478 32.792 1.00 13.65 C ATOM 218 SD MET A 29 25.924 33.781 32.843 1.00 18.40 S ATOM 219 CE MET A 29 24.765 35.083 33.455 1.00 25.36 C ATOM 0 H MET A 29 25.669 29.656 33.686 1.00 5.40 H new ATOM 0 HA MET A 29 26.369 32.016 34.636 1.00 14.75 H new ATOM 0 HB2 MET A 29 23.807 31.137 34.040 1.00 15.00 H new ATOM 0 HB3 MET A 29 24.046 32.525 34.709 1.00 15.00 H new ATOM 0 HG2 MET A 29 24.834 31.798 32.140 1.00 13.65 H new ATOM 0 HG3 MET A 29 23.762 32.871 32.506 1.00 13.65 H new ATOM 0 HE1 MET A 29 25.208 35.946 33.435 1.00 25.36 H new ATOM 0 HE2 MET A 29 23.979 35.110 32.887 1.00 25.36 H new ATOM 0 HE3 MET A 29 24.499 34.878 34.365 1.00 25.36 H new ATOM 220 N MET A 30 24.929 29.951 36.719 1.00 6.84 N ATOM 221 CA MET A 30 24.662 29.836 38.198 1.00 10.40 C ATOM 222 C MET A 30 25.949 29.874 38.963 1.00 18.98 C ATOM 223 O MET A 30 26.110 30.487 40.034 1.00 5.71 O ATOM 224 CB MET A 30 23.794 28.610 38.453 1.00 15.88 C ATOM 225 CG MET A 30 22.368 28.648 38.045 1.00 6.29 C ATOM 226 SD MET A 30 21.329 29.836 38.861 1.00 5.68 S ATOM 227 CE MET A 30 21.107 29.108 40.493 1.00 8.52 C ATOM 0 H MET A 30 24.722 29.266 36.242 1.00 6.84 H new ATOM 0 HA MET A 30 24.157 30.597 38.526 1.00 10.40 H new ATOM 0 HB2 MET A 30 24.209 27.858 38.003 1.00 15.88 H new ATOM 0 HB3 MET A 30 23.823 28.422 39.404 1.00 15.88 H new ATOM 0 HG2 MET A 30 22.332 28.820 37.091 1.00 6.29 H new ATOM 0 HG3 MET A 30 21.989 27.767 38.189 1.00 6.29 H new ATOM 0 HE1 MET A 30 21.222 29.792 41.171 1.00 8.52 H new ATOM 0 HE2 MET A 30 20.215 28.732 40.561 1.00 8.52 H new ATOM 0 HE3 MET A 30 21.764 28.407 40.627 1.00 8.52 H new ATOM 228 N LYS A 31 27.062 29.299 38.402 1.00 6.76 N ATOM 229 CA LYS A 31 28.336 29.261 39.014 1.00 13.21 C ATOM 230 C LYS A 31 28.973 30.640 39.116 1.00 46.18 C ATOM 231 O LYS A 31 29.286 31.100 40.187 1.00 22.43 O ATOM 232 CB LYS A 31 29.282 28.342 38.300 1.00 14.81 C ATOM 233 CG LYS A 31 30.493 27.882 39.116 1.00 12.31 C ATOM 234 CD LYS A 31 31.547 27.193 38.249 1.00 62.16 C ATOM 235 CE LYS A 31 32.728 26.695 39.065 1.00 65.52 C ATOM 236 NZ LYS A 31 33.767 26.159 38.147 1.00 40.03 N ATOM 0 H LYS A 31 27.047 28.921 37.630 1.00 6.76 H new ATOM 0 HA LYS A 31 28.179 28.921 39.909 1.00 13.21 H new ATOM 0 HB2 LYS A 31 28.790 27.558 38.010 1.00 14.81 H new ATOM 0 HB3 LYS A 31 29.601 28.789 37.500 1.00 14.81 H new ATOM 0 HG2 LYS A 31 30.891 28.647 39.559 1.00 12.31 H new ATOM 0 HG3 LYS A 31 30.200 27.272 39.811 1.00 12.31 H new ATOM 0 HD2 LYS A 31 31.141 26.446 37.782 1.00 62.16 H new ATOM 0 HD3 LYS A 31 31.862 27.813 37.573 1.00 62.16 H new ATOM 0 HE2 LYS A 31 33.094 27.418 39.598 1.00 65.52 H new ATOM 0 HE3 LYS A 31 32.440 26.005 39.683 1.00 65.52 H new ATOM 0 HZ1 LYS A 31 34.461 25.866 38.622 1.00 40.03 H new ATOM 0 HZ2 LYS A 31 33.427 25.486 37.674 1.00 40.03 H new ATOM 0 HZ3 LYS A 31 34.037 26.803 37.595 1.00 40.03 H new ATOM 237 N SER A 32 29.147 31.214 37.943 1.00 6.49 N ATOM 238 CA SER A 32 29.847 32.517 37.841 1.00 11.29 C ATOM 239 C SER A 32 29.129 33.589 38.504 1.00 11.96 C ATOM 240 O SER A 32 29.872 34.661 38.759 1.00 12.14 O ATOM 241 CB SER A 32 30.205 32.785 36.362 1.00 31.77 C ATOM 242 OG SER A 32 29.145 33.398 35.750 1.00 17.48 O ATOM 0 H SER A 32 28.879 30.886 37.195 1.00 6.49 H new ATOM 0 HA SER A 32 30.683 32.479 38.331 1.00 11.29 H new ATOM 0 HB2 SER A 32 30.995 33.346 36.305 1.00 31.77 H new ATOM 0 HB3 SER A 32 30.415 31.952 35.912 1.00 31.77 H new ATOM 0 HG SER A 32 29.334 33.548 34.945 1.00 17.48 H new ATOM 243 N ARG A 33 27.941 33.512 38.912 1.00 8.67 N ATOM 244 CA ARG A 33 27.253 34.623 39.677 1.00 6.98 C ATOM 245 C ARG A 33 27.381 34.317 41.156 1.00 1.05 C ATOM 246 O ARG A 33 26.722 35.006 42.022 1.00 10.55 O ATOM 247 CB ARG A 33 25.903 34.853 39.116 1.00 8.73 C ATOM 248 CG ARG A 33 25.896 35.581 37.739 1.00 3.21 C ATOM 249 CD ARG A 33 26.519 36.921 37.790 1.00 2.53 C ATOM 250 NE ARG A 33 26.405 37.457 36.362 1.00 9.34 N ATOM 251 CZ ARG A 33 25.298 38.070 35.903 1.00 7.33 C ATOM 252 NH1 ARG A 33 24.261 38.338 36.617 1.00 5.41 N ATOM 253 NH2 ARG A 33 25.184 38.453 34.577 1.00 6.63 N ATOM 0 H ARG A 33 27.443 32.823 38.782 1.00 8.67 H new ATOM 0 HA ARG A 33 27.669 35.493 39.575 1.00 6.98 H new ATOM 0 HB2 ARG A 33 25.454 33.998 39.020 1.00 8.73 H new ATOM 0 HB3 ARG A 33 25.386 35.376 39.749 1.00 8.73 H new ATOM 0 HG2 ARG A 33 26.366 35.036 37.088 1.00 3.21 H new ATOM 0 HG3 ARG A 33 24.981 35.667 37.429 1.00 3.21 H new ATOM 0 HD2 ARG A 33 26.061 37.499 38.421 1.00 2.53 H new ATOM 0 HD3 ARG A 33 27.445 36.868 38.074 1.00 2.53 H new ATOM 0 HE ARG A 33 27.075 37.363 35.831 1.00 9.34 H new ATOM 0 HH11 ARG A 33 24.245 38.122 37.449 1.00 5.41 H new ATOM 0 HH12 ARG A 33 23.585 38.733 36.262 1.00 5.41 H new ATOM 0 HH21 ARG A 33 25.828 38.300 34.028 1.00 6.63 H new ATOM 0 HH22 ARG A 33 24.469 38.844 34.302 1.00 6.63 H new ATOM 254 N ASN A 34 28.032 33.168 41.513 1.00 3.24 N ATOM 255 CA ASN A 34 28.131 32.746 42.889 1.00 13.04 C ATOM 256 C ASN A 34 26.881 32.287 43.501 1.00 14.90 C ATOM 257 O ASN A 34 26.797 32.440 44.776 1.00 15.70 O ATOM 258 CB ASN A 34 28.825 33.857 43.705 1.00 9.94 C ATOM 259 CG ASN A 34 30.099 33.321 44.317 1.00 25.99 C ATOM 260 OD1 ASN A 34 30.152 33.474 45.643 1.00 32.96 O flip ATOM 261 ND2 ASN A 34 30.999 32.823 43.654 1.00 22.95 N flip ATOM 0 H ASN A 34 28.413 32.639 40.952 1.00 3.24 H new ATOM 0 HA ASN A 34 28.674 31.942 42.898 1.00 13.04 H new ATOM 0 HB2 ASN A 34 29.025 34.614 43.132 1.00 9.94 H new ATOM 0 HB3 ASN A 34 28.231 34.177 44.402 1.00 9.94 H new ATOM 0 HD21 ASN A 34 30.914 32.748 42.802 1.00 22.95 H new ATOM 0 HD22 ASN A 34 31.716 32.548 44.041 1.00 22.95 H new ATOM 262 N LEU A 35 25.867 31.789 42.736 1.00 17.24 N ATOM 263 CA LEU A 35 24.647 31.329 43.348 1.00 14.78 C ATOM 264 C LEU A 35 24.781 29.912 43.909 1.00 8.03 C ATOM 265 O LEU A 35 23.774 29.491 44.521 1.00 16.15 O ATOM 266 CB LEU A 35 23.483 31.329 42.277 1.00 0.55 C ATOM 267 CG LEU A 35 23.547 32.861 41.767 1.00 7.79 C ATOM 268 CD1 LEU A 35 22.657 33.091 40.595 1.00 4.17 C ATOM 269 CD2 LEU A 35 23.130 33.742 42.940 1.00 20.87 C ATOM 0 H LEU A 35 25.891 31.721 41.879 1.00 17.24 H new ATOM 0 HA LEU A 35 24.449 31.933 44.080 1.00 14.78 H new ATOM 0 HB2 LEU A 35 23.642 30.695 41.560 1.00 0.55 H new ATOM 0 HB3 LEU A 35 22.623 31.106 42.667 1.00 0.55 H new ATOM 0 HG LEU A 35 24.446 33.074 41.473 1.00 7.79 H new ATOM 0 HD11 LEU A 35 22.721 34.018 40.317 1.00 4.17 H new ATOM 0 HD12 LEU A 35 22.929 32.515 39.864 1.00 4.17 H new ATOM 0 HD13 LEU A 35 21.740 32.890 40.840 1.00 4.17 H new ATOM 0 HD21 LEU A 35 23.156 34.674 42.671 1.00 20.87 H new ATOM 0 HD22 LEU A 35 22.229 33.511 43.214 1.00 20.87 H new ATOM 0 HD23 LEU A 35 23.739 33.603 43.682 1.00 20.87 H new ATOM 270 N THR A 36 25.907 29.338 43.603 1.00 16.63 N ATOM 271 CA THR A 36 26.087 27.959 44.113 1.00 14.27 C ATOM 272 C THR A 36 27.190 27.882 45.184 1.00 20.27 C ATOM 273 O THR A 36 27.690 26.810 45.439 1.00 29.28 O ATOM 274 CB THR A 36 26.291 27.078 42.940 1.00 3.46 C ATOM 275 OG1 THR A 36 27.556 27.461 42.379 1.00 10.12 O ATOM 276 CG2 THR A 36 25.203 27.078 41.920 1.00 20.14 C ATOM 0 H THR A 36 26.550 29.673 43.140 1.00 16.63 H new ATOM 0 HA THR A 36 25.299 27.651 44.587 1.00 14.27 H new ATOM 0 HB THR A 36 26.276 26.156 43.242 1.00 3.46 H new ATOM 0 HG1 THR A 36 27.720 26.986 41.706 1.00 10.12 H new ATOM 0 HG21 THR A 36 25.435 26.472 41.199 1.00 20.14 H new ATOM 0 HG22 THR A 36 24.374 26.788 42.331 1.00 20.14 H new ATOM 0 HG23 THR A 36 25.092 27.974 41.565 1.00 20.14 H new ATOM 277 N LYS A 37 27.461 29.070 45.694 1.00 11.11 N ATOM 278 CA LYS A 37 28.580 29.070 46.714 1.00 16.48 C ATOM 279 C LYS A 37 28.284 28.189 47.887 1.00 6.32 C ATOM 280 O LYS A 37 29.180 27.308 48.142 1.00 14.13 O ATOM 281 CB LYS A 37 28.943 30.525 47.020 1.00 29.56 C ATOM 282 CG LYS A 37 30.447 30.755 47.173 1.00 52.19 C ATOM 283 CD LYS A 37 30.731 32.057 47.938 1.00 59.98 C ATOM 284 CE LYS A 37 32.190 32.363 48.040 1.00 60.88 C ATOM 285 NZ LYS A 37 32.791 32.440 46.663 1.00 60.80 N ATOM 0 H LYS A 37 27.081 29.820 45.513 1.00 11.11 H new ATOM 0 HA LYS A 37 29.382 28.655 46.359 1.00 16.48 H new ATOM 0 HB2 LYS A 37 28.606 31.092 46.309 1.00 29.56 H new ATOM 0 HB3 LYS A 37 28.496 30.798 47.836 1.00 29.56 H new ATOM 0 HG2 LYS A 37 30.846 30.006 47.643 1.00 52.19 H new ATOM 0 HG3 LYS A 37 30.862 30.793 46.297 1.00 52.19 H new ATOM 0 HD2 LYS A 37 30.281 32.793 47.494 1.00 59.98 H new ATOM 0 HD3 LYS A 37 30.356 31.991 48.830 1.00 59.98 H new ATOM 0 HE2 LYS A 37 32.321 33.203 48.507 1.00 60.88 H new ATOM 0 HE3 LYS A 37 32.638 31.677 48.560 1.00 60.88 H new ATOM 0 HZ1 LYS A 37 33.492 32.988 46.675 1.00 60.80 H new ATOM 0 HZ2 LYS A 37 33.054 31.629 46.408 1.00 60.80 H new ATOM 0 HZ3 LYS A 37 32.183 32.749 46.091 1.00 60.80 H new ATOM 286 N ASP A 38 27.247 28.380 48.601 1.00 13.86 N ATOM 287 CA ASP A 38 26.996 27.538 49.825 1.00 13.08 C ATOM 288 C ASP A 38 26.146 26.350 49.621 1.00 10.97 C ATOM 289 O ASP A 38 26.142 25.431 50.437 1.00 14.32 O ATOM 290 CB ASP A 38 26.443 28.457 50.947 1.00 32.69 C ATOM 291 CG ASP A 38 27.323 29.644 51.253 1.00 49.86 C ATOM 292 OD1 ASP A 38 28.552 29.491 51.508 1.00 15.86 O ATOM 293 OD2 ASP A 38 26.776 30.755 51.151 1.00 26.21 O ATOM 0 H ASP A 38 26.647 28.975 48.441 1.00 13.86 H new ATOM 0 HA ASP A 38 27.849 27.153 50.079 1.00 13.08 H new ATOM 0 HB2 ASP A 38 25.564 28.775 50.689 1.00 32.69 H new ATOM 0 HB3 ASP A 38 26.329 27.933 51.755 1.00 32.69 H new ATOM 294 N ARG A 39 25.317 26.465 48.550 1.00 5.18 N ATOM 295 CA ARG A 39 24.375 25.316 48.346 1.00 1.98 C ATOM 296 C ARG A 39 23.714 25.431 47.020 1.00 1.68 C ATOM 297 O ARG A 39 24.022 26.465 46.306 1.00 4.90 O ATOM 298 CB ARG A 39 23.214 25.355 49.366 1.00 8.96 C ATOM 299 CG ARG A 39 22.349 26.580 49.213 1.00 19.05 C ATOM 300 CD ARG A 39 21.612 26.963 50.437 1.00 22.16 C ATOM 301 NE ARG A 39 20.808 28.150 50.182 1.00 70.24 N ATOM 302 CZ ARG A 39 19.626 28.036 49.570 1.00 73.64 C ATOM 303 NH1 ARG A 39 19.203 26.810 49.162 1.00 19.05 N ATOM 304 NH2 ARG A 39 18.867 29.108 49.366 1.00 56.90 N ATOM 0 H ARG A 39 25.278 27.115 47.989 1.00 5.18 H new ATOM 0 HA ARG A 39 24.903 24.507 48.436 1.00 1.98 H new ATOM 0 HB2 ARG A 39 22.667 24.561 49.259 1.00 8.96 H new ATOM 0 HB3 ARG A 39 23.577 25.330 50.265 1.00 8.96 H new ATOM 0 HG2 ARG A 39 22.907 27.324 48.938 1.00 19.05 H new ATOM 0 HG3 ARG A 39 21.711 26.425 48.499 1.00 19.05 H new ATOM 0 HD2 ARG A 39 21.042 26.232 50.723 1.00 22.16 H new ATOM 0 HD3 ARG A 39 22.236 27.135 51.159 1.00 22.16 H new ATOM 0 HE ARG A 39 21.094 28.924 50.425 1.00 70.24 H new ATOM 0 HH11 ARG A 39 19.695 26.118 49.299 1.00 19.05 H new ATOM 0 HH12 ARG A 39 18.444 26.727 48.767 1.00 19.05 H new ATOM 0 HH21 ARG A 39 19.136 29.882 49.629 1.00 56.90 H new ATOM 0 HH22 ARG A 39 18.107 29.028 48.971 1.00 56.90 H new ATOM 305 N CYS A 40 23.033 24.435 46.561 1.00 11.49 N ATOM 306 CA CYS A 40 22.494 24.589 45.133 1.00 6.06 C ATOM 307 C CYS A 40 21.308 25.469 45.235 1.00 0.68 C ATOM 308 O CYS A 40 20.286 25.010 45.796 1.00 7.17 O ATOM 309 CB CYS A 40 22.315 23.248 44.521 1.00 16.17 C ATOM 310 SG CYS A 40 23.821 22.291 44.266 1.00 7.34 S ATOM 0 H CYS A 40 22.853 23.701 46.971 1.00 11.49 H new ATOM 0 HA CYS A 40 23.098 25.022 44.510 1.00 6.06 H new ATOM 0 HB2 CYS A 40 21.716 22.732 45.083 1.00 16.17 H new ATOM 0 HB3 CYS A 40 21.874 23.359 43.664 1.00 16.17 H new ATOM 311 N LYS A 41 21.266 26.657 44.572 1.00 17.91 N ATOM 312 CA LYS A 41 20.065 27.461 44.623 1.00 9.01 C ATOM 313 C LYS A 41 19.128 26.580 43.705 1.00 14.72 C ATOM 314 O LYS A 41 19.621 26.197 42.583 1.00 13.19 O ATOM 315 CB LYS A 41 20.114 28.878 44.062 1.00 6.43 C ATOM 316 CG LYS A 41 18.834 29.721 44.470 1.00 36.22 C ATOM 317 CD LYS A 41 18.808 31.100 43.858 1.00 40.54 C ATOM 318 CE LYS A 41 17.348 31.712 43.858 1.00 8.46 C ATOM 319 NZ LYS A 41 17.444 33.015 43.144 1.00 54.72 N ATOM 0 H LYS A 41 21.911 26.986 44.108 1.00 17.91 H new ATOM 0 HA LYS A 41 19.813 27.633 45.544 1.00 9.01 H new ATOM 0 HB2 LYS A 41 20.912 29.326 44.385 1.00 6.43 H new ATOM 0 HB3 LYS A 41 20.181 28.840 43.095 1.00 6.43 H new ATOM 0 HG2 LYS A 41 18.037 29.239 44.199 1.00 36.22 H new ATOM 0 HG3 LYS A 41 18.802 29.802 45.436 1.00 36.22 H new ATOM 0 HD2 LYS A 41 19.404 31.685 44.351 1.00 40.54 H new ATOM 0 HD3 LYS A 41 19.141 31.057 42.948 1.00 40.54 H new ATOM 0 HE2 LYS A 41 16.723 31.118 43.413 1.00 8.46 H new ATOM 0 HE3 LYS A 41 17.024 31.836 44.764 1.00 8.46 H new ATOM 0 HZ1 LYS A 41 16.655 33.426 43.169 1.00 54.72 H new ATOM 0 HZ2 LYS A 41 18.057 33.526 43.539 1.00 54.72 H new ATOM 0 HZ3 LYS A 41 17.678 32.873 42.297 1.00 54.72 H new ATOM 320 N PRO A 42 18.046 26.159 44.164 1.00 19.62 N ATOM 321 CA PRO A 42 17.153 25.240 43.501 1.00 10.82 C ATOM 322 C PRO A 42 16.583 25.738 42.175 1.00 29.78 C ATOM 323 O PRO A 42 16.376 25.048 41.156 1.00 13.02 O ATOM 324 CB PRO A 42 16.098 24.780 44.470 1.00 24.30 C ATOM 325 CG PRO A 42 16.092 25.814 45.592 1.00 36.92 C ATOM 326 CD PRO A 42 17.475 26.465 45.541 1.00 13.14 C ATOM 0 HA PRO A 42 17.683 24.475 43.227 1.00 10.82 H new ATOM 0 HB2 PRO A 42 15.230 24.726 44.041 1.00 24.30 H new ATOM 0 HB3 PRO A 42 16.301 23.895 44.812 1.00 24.30 H new ATOM 0 HG2 PRO A 42 15.390 26.470 45.460 1.00 36.92 H new ATOM 0 HG3 PRO A 42 15.932 25.397 46.453 1.00 36.92 H new ATOM 0 HD2 PRO A 42 17.411 27.422 45.683 1.00 13.14 H new ATOM 0 HD3 PRO A 42 18.049 26.112 46.239 1.00 13.14 H new ATOM 327 N VAL A 43 16.279 27.001 42.073 1.00 5.21 N ATOM 328 CA VAL A 43 15.662 27.767 41.003 1.00 24.50 C ATOM 329 C VAL A 43 16.118 29.185 41.003 1.00 3.67 C ATOM 330 O VAL A 43 16.280 29.912 41.971 1.00 14.81 O ATOM 331 CB VAL A 43 14.111 27.691 41.207 1.00 2.16 C ATOM 332 CG1 VAL A 43 13.370 28.840 40.544 1.00 18.74 C ATOM 333 CG2 VAL A 43 13.490 26.350 40.748 1.00 10.08 C ATOM 0 H VAL A 43 16.455 27.522 42.734 1.00 5.21 H new ATOM 0 HA VAL A 43 15.919 27.394 40.145 1.00 24.50 H new ATOM 0 HB VAL A 43 13.998 27.760 42.168 1.00 2.16 H new ATOM 0 HG11 VAL A 43 12.418 28.744 40.701 1.00 18.74 H new ATOM 0 HG12 VAL A 43 13.676 29.681 40.918 1.00 18.74 H new ATOM 0 HG13 VAL A 43 13.543 28.829 39.590 1.00 18.74 H new ATOM 0 HG21 VAL A 43 12.532 26.368 40.901 1.00 10.08 H new ATOM 0 HG22 VAL A 43 13.664 26.219 39.803 1.00 10.08 H new ATOM 0 HG23 VAL A 43 13.884 25.621 41.253 1.00 10.08 H new ATOM 334 N ASN A 44 16.293 29.721 39.728 1.00 5.49 N ATOM 335 CA ASN A 44 16.689 31.100 39.524 1.00 11.37 C ATOM 336 C ASN A 44 16.318 31.444 38.045 1.00 12.52 C ATOM 337 O ASN A 44 16.383 30.602 37.229 1.00 21.72 O ATOM 338 CB ASN A 44 18.162 31.406 39.779 1.00 18.28 C ATOM 339 CG ASN A 44 18.481 32.938 39.830 1.00 2.24 C ATOM 340 OD1 ASN A 44 18.127 33.627 40.697 1.00 24.50 O ATOM 341 ND2 ASN A 44 19.323 33.321 38.861 1.00 7.56 N ATOM 0 H ASN A 44 16.179 29.275 39.002 1.00 5.49 H new ATOM 0 HA ASN A 44 16.223 31.644 40.178 1.00 11.37 H new ATOM 0 HB2 ASN A 44 18.429 30.999 40.618 1.00 18.28 H new ATOM 0 HB3 ASN A 44 18.696 30.995 39.082 1.00 18.28 H new ATOM 0 HD21 ASN A 44 19.637 34.122 38.856 1.00 7.56 H new ATOM 0 HD22 ASN A 44 19.550 32.766 38.244 1.00 7.56 H new ATOM 342 N THR A 45 15.939 32.670 37.892 1.00 2.95 N ATOM 343 CA THR A 45 15.582 33.244 36.566 1.00 6.11 C ATOM 344 C THR A 45 16.526 34.393 36.158 1.00 11.45 C ATOM 345 O THR A 45 16.780 35.274 37.025 1.00 13.02 O ATOM 346 CB THR A 45 14.122 33.819 36.668 1.00 0.50 C ATOM 347 OG1 THR A 45 13.360 32.746 37.076 1.00 5.37 O ATOM 348 CG2 THR A 45 13.856 34.547 35.342 1.00 5.89 C ATOM 0 H THR A 45 15.870 33.228 38.543 1.00 2.95 H new ATOM 0 HA THR A 45 15.656 32.544 35.899 1.00 6.11 H new ATOM 0 HB THR A 45 13.914 34.508 37.318 1.00 0.50 H new ATOM 0 HG1 THR A 45 12.558 32.985 37.153 1.00 5.37 H new ATOM 0 HG21 THR A 45 12.962 34.923 35.353 1.00 5.89 H new ATOM 0 HG22 THR A 45 14.505 35.259 35.228 1.00 5.89 H new ATOM 0 HG23 THR A 45 13.933 33.919 34.607 1.00 5.89 H new ATOM 349 N PHE A 46 17.065 34.432 34.985 1.00 10.31 N ATOM 350 CA PHE A 46 17.904 35.504 34.424 1.00 2.34 C ATOM 351 C PHE A 46 17.059 36.308 33.404 1.00 7.71 C ATOM 352 O PHE A 46 16.365 35.696 32.486 1.00 6.95 O ATOM 353 CB PHE A 46 19.276 35.159 33.812 1.00 1.97 C ATOM 354 CG PHE A 46 20.213 34.508 34.832 1.00 0.50 C ATOM 355 CD1 PHE A 46 20.136 33.091 34.883 1.00 7.66 C ATOM 356 CD2 PHE A 46 21.151 35.236 35.546 1.00 25.03 C ATOM 357 CE1 PHE A 46 20.997 32.478 35.852 1.00 1.90 C ATOM 358 CE2 PHE A 46 22.012 34.585 36.413 1.00 15.00 C ATOM 359 CZ PHE A 46 21.935 33.206 36.566 1.00 15.07 C ATOM 0 H PHE A 46 16.956 33.788 34.426 1.00 10.31 H new ATOM 0 HA PHE A 46 18.166 36.009 35.210 1.00 2.34 H new ATOM 0 HB2 PHE A 46 19.152 34.559 33.060 1.00 1.97 H new ATOM 0 HB3 PHE A 46 19.687 35.967 33.466 1.00 1.97 H new ATOM 0 HD1 PHE A 46 19.572 32.599 34.331 1.00 7.66 H new ATOM 0 HD2 PHE A 46 21.202 36.159 35.443 1.00 25.03 H new ATOM 0 HE1 PHE A 46 20.924 31.564 36.006 1.00 1.90 H new ATOM 0 HE2 PHE A 46 22.643 35.071 36.894 1.00 15.00 H new ATOM 0 HZ PHE A 46 22.514 32.771 37.149 1.00 15.07 H new ATOM 360 N VAL A 47 17.241 37.572 33.506 1.00 6.00 N ATOM 361 CA VAL A 47 16.517 38.491 32.588 1.00 6.39 C ATOM 362 C VAL A 47 17.510 39.028 31.619 1.00 8.85 C ATOM 363 O VAL A 47 18.572 39.602 31.925 1.00 9.64 O ATOM 364 CB VAL A 47 15.646 39.526 33.353 1.00 0.50 C ATOM 365 CG1 VAL A 47 14.953 40.521 32.333 1.00 3.90 C ATOM 366 CG2 VAL A 47 14.652 38.951 34.322 1.00 13.43 C ATOM 0 H VAL A 47 17.761 37.952 34.076 1.00 6.00 H new ATOM 0 HA VAL A 47 15.843 38.027 32.068 1.00 6.39 H new ATOM 0 HB VAL A 47 16.267 40.011 33.919 1.00 0.50 H new ATOM 0 HG11 VAL A 47 14.413 41.161 32.822 1.00 3.90 H new ATOM 0 HG12 VAL A 47 15.634 40.992 31.827 1.00 3.90 H new ATOM 0 HG13 VAL A 47 14.388 40.019 31.725 1.00 3.90 H new ATOM 0 HG21 VAL A 47 14.160 39.671 34.747 1.00 13.43 H new ATOM 0 HG22 VAL A 47 14.034 38.374 33.847 1.00 13.43 H new ATOM 0 HG23 VAL A 47 15.120 38.437 34.998 1.00 13.43 H new ATOM 367 N HIS A 48 17.214 38.875 30.293 1.00 3.59 N ATOM 368 CA HIS A 48 18.011 39.257 29.171 1.00 7.93 C ATOM 369 C HIS A 48 17.589 40.560 28.457 1.00 17.33 C ATOM 370 O HIS A 48 17.155 40.636 27.284 1.00 14.45 O ATOM 371 CB HIS A 48 17.956 38.262 28.049 1.00 6.96 C ATOM 372 CG HIS A 48 18.562 36.883 28.457 1.00 0.50 C ATOM 373 ND1 HIS A 48 19.930 36.730 28.559 1.00 9.82 N ATOM 374 CD2 HIS A 48 17.845 35.811 28.916 1.00 21.21 C ATOM 375 CE1 HIS A 48 19.973 35.427 28.916 1.00 7.50 C ATOM 376 NE2 HIS A 48 18.846 34.891 29.222 1.00 19.95 N ATOM 0 H HIS A 48 16.474 38.512 30.046 1.00 3.59 H new ATOM 0 HA HIS A 48 18.879 39.344 29.595 1.00 7.93 H new ATOM 0 HB2 HIS A 48 17.035 38.140 27.772 1.00 6.96 H new ATOM 0 HB3 HIS A 48 18.438 38.612 27.284 1.00 6.96 H new ATOM 0 HD1 HIS A 48 20.566 37.295 28.433 1.00 9.82 H new ATOM 0 HD2 HIS A 48 16.923 35.720 29.002 1.00 21.21 H new ATOM 0 HE1 HIS A 48 20.770 34.948 28.939 1.00 7.50 H new ATOM 0 HE2 HIS A 48 18.730 34.107 29.555 1.00 19.95 H new ATOM 377 N GLU A 49 17.676 41.594 29.273 1.00 9.62 N ATOM 378 CA GLU A 49 17.282 42.934 28.967 1.00 1.80 C ATOM 379 C GLU A 49 18.084 44.007 29.630 1.00 6.94 C ATOM 380 O GLU A 49 18.945 43.700 30.599 1.00 7.55 O ATOM 381 CB GLU A 49 15.790 43.164 29.477 1.00 17.48 C ATOM 382 CG GLU A 49 14.638 42.283 28.967 1.00 7.31 C ATOM 383 CD GLU A 49 14.297 42.398 27.488 1.00 28.18 C ATOM 384 OE1 GLU A 49 14.589 43.509 26.927 1.00 17.28 O ATOM 385 OE2 GLU A 49 13.798 41.479 26.927 1.00 4.76 O ATOM 0 H GLU A 49 17.988 41.517 30.071 1.00 9.62 H new ATOM 0 HA GLU A 49 17.404 43.008 28.008 1.00 1.80 H new ATOM 0 HB2 GLU A 49 15.804 43.083 30.444 1.00 17.48 H new ATOM 0 HB3 GLU A 49 15.558 44.083 29.272 1.00 17.48 H new ATOM 0 HG2 GLU A 49 14.857 41.357 29.157 1.00 7.31 H new ATOM 0 HG3 GLU A 49 13.843 42.497 29.479 1.00 7.31 H new ATOM 386 N SER A 50 17.934 45.194 29.222 1.00 7.34 N ATOM 387 CA SER A 50 18.539 46.343 29.834 1.00 8.62 C ATOM 388 C SER A 50 18.166 46.496 31.262 1.00 8.11 C ATOM 389 O SER A 50 17.038 46.266 31.772 1.00 10.84 O ATOM 390 CB SER A 50 17.981 47.645 29.069 1.00 6.27 C ATOM 391 OG SER A 50 18.998 48.641 29.222 1.00 24.30 O ATOM 0 H SER A 50 17.450 45.391 28.539 1.00 7.34 H new ATOM 0 HA SER A 50 19.502 46.238 29.777 1.00 8.62 H new ATOM 0 HB2 SER A 50 17.815 47.456 28.132 1.00 6.27 H new ATOM 0 HB3 SER A 50 17.141 47.942 29.452 1.00 6.27 H new ATOM 0 HG SER A 50 18.758 49.348 28.837 1.00 24.30 H new ATOM 392 N LEU A 51 19.164 46.956 32.078 1.00 6.51 N ATOM 393 CA LEU A 51 18.974 47.224 33.506 1.00 15.51 C ATOM 394 C LEU A 51 17.833 48.181 33.659 1.00 12.94 C ATOM 395 O LEU A 51 16.871 48.028 34.424 1.00 6.66 O ATOM 396 CB LEU A 51 20.324 47.913 33.863 1.00 19.10 C ATOM 397 CG LEU A 51 20.803 47.722 35.291 1.00 30.15 C ATOM 398 CD1 LEU A 51 20.176 46.496 35.852 1.00 45.47 C ATOM 399 CD2 LEU A 51 22.323 47.722 35.291 1.00 40.09 C ATOM 0 H LEU A 51 19.962 47.115 31.800 1.00 6.51 H new ATOM 0 HA LEU A 51 18.773 46.452 34.058 1.00 15.51 H new ATOM 0 HB2 LEU A 51 21.008 47.578 33.262 1.00 19.10 H new ATOM 0 HB3 LEU A 51 20.238 48.864 33.693 1.00 19.10 H new ATOM 0 HG LEU A 51 20.530 48.447 35.875 1.00 30.15 H new ATOM 0 HD11 LEU A 51 20.477 46.367 36.765 1.00 45.47 H new ATOM 0 HD12 LEU A 51 19.211 46.592 35.841 1.00 45.47 H new ATOM 0 HD13 LEU A 51 20.430 45.728 35.316 1.00 45.47 H new ATOM 0 HD21 LEU A 51 22.647 47.601 36.197 1.00 40.09 H new ATOM 0 HD22 LEU A 51 22.647 46.998 34.733 1.00 40.09 H new ATOM 0 HD23 LEU A 51 22.647 48.567 34.943 1.00 40.09 H new ATOM 400 N ALA A 52 17.914 49.215 32.792 1.00 18.20 N ATOM 401 CA ALA A 52 16.957 50.326 32.741 1.00 10.50 C ATOM 402 C ALA A 52 15.544 49.943 32.486 1.00 0.50 C ATOM 403 O ALA A 52 14.537 50.364 33.200 1.00 9.17 O ATOM 404 CB ALA A 52 17.510 51.322 31.721 1.00 6.50 C ATOM 0 H ALA A 52 18.543 49.283 32.209 1.00 18.20 H new ATOM 0 HA ALA A 52 16.888 50.725 33.623 1.00 10.50 H new ATOM 0 HB1 ALA A 52 16.909 52.080 31.650 1.00 6.50 H new ATOM 0 HB2 ALA A 52 18.384 51.629 32.009 1.00 6.50 H new ATOM 0 HB3 ALA A 52 17.588 50.890 30.856 1.00 6.50 H new ATOM 405 N ASP A 53 15.367 48.909 31.568 1.00 2.50 N ATOM 406 CA ASP A 53 14.032 48.411 31.262 1.00 16.14 C ATOM 407 C ASP A 53 13.432 47.569 32.435 1.00 0.50 C ATOM 408 O ASP A 53 12.200 47.645 32.588 1.00 14.70 O ATOM 409 CB ASP A 53 13.978 47.683 29.936 1.00 18.78 C ATOM 410 CG ASP A 53 14.153 48.373 28.661 1.00 24.06 C ATOM 411 OD1 ASP A 53 14.108 49.598 28.508 1.00 16.04 O ATOM 412 OD2 ASP A 53 14.280 47.569 27.743 1.00 22.73 O ATOM 0 H ASP A 53 16.006 48.519 31.145 1.00 2.50 H new ATOM 0 HA ASP A 53 13.461 49.190 31.165 1.00 16.14 H new ATOM 0 HB2 ASP A 53 14.654 46.988 29.972 1.00 18.78 H new ATOM 0 HB3 ASP A 53 13.116 47.239 29.897 1.00 18.78 H new ATOM 413 N VAL A 54 14.340 46.917 33.149 1.00 8.47 N ATOM 414 CA VAL A 54 13.862 46.113 34.322 1.00 5.32 C ATOM 415 C VAL A 54 13.551 47.071 35.444 1.00 8.10 C ATOM 416 O VAL A 54 12.574 46.841 36.158 1.00 10.82 O ATOM 417 CB VAL A 54 14.863 45.002 34.628 1.00 4.36 C ATOM 418 CG1 VAL A 54 14.506 44.275 36.005 1.00 14.03 C ATOM 419 CG2 VAL A 54 14.854 43.892 33.557 1.00 2.43 C ATOM 0 H VAL A 54 15.187 46.910 33.003 1.00 8.47 H new ATOM 0 HA VAL A 54 13.036 45.636 34.147 1.00 5.32 H new ATOM 0 HB VAL A 54 15.728 45.439 34.660 1.00 4.36 H new ATOM 0 HG11 VAL A 54 15.154 43.574 36.179 1.00 14.03 H new ATOM 0 HG12 VAL A 54 14.528 44.922 36.728 1.00 14.03 H new ATOM 0 HG13 VAL A 54 13.619 43.887 35.946 1.00 14.03 H new ATOM 0 HG21 VAL A 54 15.503 43.210 33.792 1.00 2.43 H new ATOM 0 HG22 VAL A 54 13.970 43.494 33.510 1.00 2.43 H new ATOM 0 HG23 VAL A 54 15.083 44.272 32.695 1.00 2.43 H new ATOM 420 N GLN A 55 14.432 48.066 35.546 1.00 1.91 N ATOM 421 CA GLN A 55 14.122 49.062 36.668 1.00 13.37 C ATOM 422 C GLN A 55 12.816 49.790 36.464 1.00 6.33 C ATOM 423 O GLN A 55 12.172 50.096 37.484 1.00 2.49 O ATOM 424 CB GLN A 55 15.215 50.096 36.872 1.00 15.40 C ATOM 425 CG GLN A 55 16.442 49.445 37.637 1.00 10.95 C ATOM 426 CD GLN A 55 17.644 50.364 37.382 1.00 26.98 C ATOM 427 OE1 GLN A 55 17.649 51.169 36.464 1.00 25.16 O ATOM 428 NE2 GLN A 55 18.597 50.211 38.249 1.00 30.03 N ATOM 0 H GLN A 55 15.132 48.203 35.065 1.00 1.91 H new ATOM 0 HA GLN A 55 14.061 48.507 37.461 1.00 13.37 H new ATOM 0 HB2 GLN A 55 15.506 50.443 36.014 1.00 15.40 H new ATOM 0 HB3 GLN A 55 14.869 50.847 37.379 1.00 15.40 H new ATOM 0 HG2 GLN A 55 16.258 49.371 38.587 1.00 10.95 H new ATOM 0 HG3 GLN A 55 16.617 48.548 37.311 1.00 10.95 H new ATOM 0 HE21 GLN A 55 18.522 49.621 38.870 1.00 30.03 H new ATOM 0 HE22 GLN A 55 19.303 50.700 38.202 1.00 30.03 H new ATOM 429 N ALA A 56 12.474 49.943 35.189 1.00 16.19 N ATOM 430 CA ALA A 56 11.168 50.633 34.883 1.00 19.27 C ATOM 431 C ALA A 56 9.965 49.905 35.342 1.00 37.47 C ATOM 432 O ALA A 56 8.870 50.518 35.444 1.00 7.88 O ATOM 433 CB ALA A 56 11.238 50.862 33.353 1.00 3.16 C ATOM 0 H ALA A 56 12.933 49.682 34.510 1.00 16.19 H new ATOM 0 HA ALA A 56 11.067 51.463 35.375 1.00 19.27 H new ATOM 0 HB1 ALA A 56 10.430 51.308 33.055 1.00 3.16 H new ATOM 0 HB2 ALA A 56 12.007 51.414 33.143 1.00 3.16 H new ATOM 0 HB3 ALA A 56 11.321 50.008 32.901 1.00 3.16 H new ATOM 434 N VAL A 57 10.085 48.641 35.648 1.00 14.16 N ATOM 435 CA VAL A 57 8.927 47.837 36.056 1.00 3.73 C ATOM 436 C VAL A 57 8.342 48.335 37.382 1.00 6.26 C ATOM 437 O VAL A 57 7.169 48.105 37.739 1.00 14.66 O ATOM 438 CB VAL A 57 9.323 46.343 35.954 1.00 5.96 C ATOM 439 CG1 VAL A 57 8.194 45.539 36.566 1.00 6.35 C ATOM 440 CG2 VAL A 57 9.559 45.883 34.577 1.00 11.78 C ATOM 0 H VAL A 57 10.829 48.210 35.631 1.00 14.16 H new ATOM 0 HA VAL A 57 8.169 47.942 35.460 1.00 3.73 H new ATOM 0 HB VAL A 57 10.164 46.222 36.421 1.00 5.96 H new ATOM 0 HG11 VAL A 57 8.407 44.594 36.520 1.00 6.35 H new ATOM 0 HG12 VAL A 57 8.077 45.799 37.493 1.00 6.35 H new ATOM 0 HG13 VAL A 57 7.374 45.709 36.077 1.00 6.35 H new ATOM 0 HG21 VAL A 57 9.802 44.944 34.586 1.00 11.78 H new ATOM 0 HG22 VAL A 57 8.752 46.003 34.053 1.00 11.78 H new ATOM 0 HG23 VAL A 57 10.280 46.399 34.182 1.00 11.78 H new ATOM 441 N CYS A 58 9.296 49.062 38.045 1.00 4.91 N ATOM 442 CA CYS A 58 8.832 49.560 39.371 1.00 8.35 C ATOM 443 C CYS A 58 7.754 50.594 39.218 1.00 12.64 C ATOM 444 O CYS A 58 7.246 51.092 40.289 1.00 15.89 O ATOM 445 CB CYS A 58 9.997 50.058 40.238 1.00 10.69 C ATOM 446 SG CYS A 58 11.029 48.564 40.646 1.00 9.77 S ATOM 0 H CYS A 58 10.095 49.253 37.791 1.00 4.91 H new ATOM 0 HA CYS A 58 8.442 48.808 39.844 1.00 8.35 H new ATOM 0 HB2 CYS A 58 10.522 50.721 39.763 1.00 10.69 H new ATOM 0 HB3 CYS A 58 9.669 50.482 41.046 1.00 10.69 H new ATOM 447 N SER A 59 7.472 51.016 38.045 1.00 21.63 N ATOM 448 CA SER A 59 6.409 52.088 37.841 1.00 8.24 C ATOM 449 C SER A 59 5.411 51.552 36.821 1.00 18.35 C ATOM 450 O SER A 59 4.838 52.318 36.107 1.00 17.07 O ATOM 451 CB SER A 59 7.080 53.390 37.433 1.00 16.61 C ATOM 452 OG SER A 59 7.529 53.160 36.056 1.00 27.33 O ATOM 0 H SER A 59 7.847 50.736 37.324 1.00 21.63 H new ATOM 0 HA SER A 59 5.919 52.289 38.654 1.00 8.24 H new ATOM 0 HB2 SER A 59 6.462 54.136 37.482 1.00 16.61 H new ATOM 0 HB3 SER A 59 7.826 53.600 38.017 1.00 16.61 H new ATOM 0 HG SER A 59 7.957 52.438 36.018 1.00 27.33 H new ATOM 453 N GLN A 60 5.274 50.211 36.872 1.00 16.87 N ATOM 454 CA GLN A 60 4.276 49.598 35.954 1.00 6.48 C ATOM 455 C GLN A 60 3.071 49.139 36.719 1.00 4.17 C ATOM 456 O GLN A 60 2.413 49.828 37.586 1.00 16.27 O ATOM 457 CB GLN A 60 5.011 48.641 35.036 1.00 9.16 C ATOM 458 CG GLN A 60 5.929 49.369 34.118 1.00 9.01 C ATOM 459 CD GLN A 60 6.770 48.564 33.149 1.00 6.85 C ATOM 460 OE1 GLN A 60 6.574 47.377 32.894 1.00 15.52 O ATOM 461 NE2 GLN A 60 7.747 49.254 32.537 1.00 9.36 N ATOM 0 H GLN A 60 5.708 49.673 37.384 1.00 16.87 H new ATOM 0 HA GLN A 60 3.860 50.220 35.337 1.00 6.48 H new ATOM 0 HB2 GLN A 60 5.517 48.006 35.566 1.00 9.16 H new ATOM 0 HB3 GLN A 60 4.370 48.130 34.517 1.00 9.16 H new ATOM 0 HG2 GLN A 60 5.395 49.991 33.599 1.00 9.01 H new ATOM 0 HG3 GLN A 60 6.532 49.899 34.663 1.00 9.01 H new ATOM 0 HE21 GLN A 60 7.871 50.084 32.727 1.00 9.36 H new ATOM 0 HE22 GLN A 60 8.248 48.866 31.956 1.00 9.36 H new ATOM 462 N LYS A 61 2.601 47.913 36.464 1.00 14.92 N ATOM 463 CA LYS A 61 1.397 47.377 37.025 1.00 14.41 C ATOM 464 C LYS A 61 1.663 46.841 38.453 1.00 11.48 C ATOM 465 O LYS A 61 2.331 45.883 38.555 1.00 10.40 O ATOM 466 CB LYS A 61 0.824 46.113 36.311 1.00 15.39 C ATOM 467 CG LYS A 61 -0.502 45.730 36.974 1.00 19.37 C ATOM 468 CD LYS A 61 -1.607 45.232 36.107 1.00 57.56 C ATOM 469 CE LYS A 61 -2.858 44.926 36.923 1.00 36.84 C ATOM 470 NZ LYS A 61 -3.439 46.190 37.535 1.00 19.61 N ATOM 0 H LYS A 61 3.002 47.364 35.938 1.00 14.92 H new ATOM 0 HA LYS A 61 0.781 48.123 36.955 1.00 14.41 H new ATOM 0 HB2 LYS A 61 0.688 46.293 35.368 1.00 15.39 H new ATOM 0 HB3 LYS A 61 1.454 45.378 36.372 1.00 15.39 H new ATOM 0 HG2 LYS A 61 -0.315 45.047 37.637 1.00 19.37 H new ATOM 0 HG3 LYS A 61 -0.829 46.508 37.453 1.00 19.37 H new ATOM 0 HD2 LYS A 61 -1.814 45.896 35.431 1.00 57.56 H new ATOM 0 HD3 LYS A 61 -1.319 44.432 35.640 1.00 57.56 H new ATOM 0 HE2 LYS A 61 -3.522 44.504 36.356 1.00 36.84 H new ATOM 0 HE3 LYS A 61 -2.642 44.293 37.626 1.00 36.84 H new ATOM 0 HZ1 LYS A 61 -4.296 46.263 37.308 1.00 19.61 H new ATOM 0 HZ2 LYS A 61 -3.370 46.150 38.421 1.00 19.61 H new ATOM 0 HZ3 LYS A 61 -2.992 46.898 37.235 1.00 19.61 H new ATOM 471 N ASN A 62 0.897 47.492 39.371 1.00 13.71 N ATOM 472 CA ASN A 62 1.041 47.032 40.799 1.00 12.23 C ATOM 473 C ASN A 62 0.083 45.845 40.952 1.00 10.17 C ATOM 474 O ASN A 62 -1.086 45.807 40.697 1.00 32.36 O ATOM 475 CB ASN A 62 0.838 48.181 41.767 1.00 13.29 C ATOM 476 CG ASN A 62 0.906 47.875 43.246 1.00 13.59 C ATOM 477 OD1 ASN A 62 0.019 48.181 44.062 1.00 15.44 O ATOM 478 ND2 ASN A 62 1.967 47.147 43.756 1.00 12.53 N ATOM 0 H ASN A 62 0.344 48.133 39.220 1.00 13.71 H new ATOM 0 HA ASN A 62 1.936 46.729 41.018 1.00 12.23 H new ATOM 0 HB2 ASN A 62 1.505 48.857 41.571 1.00 13.29 H new ATOM 0 HB3 ASN A 62 -0.029 48.576 41.584 1.00 13.29 H new ATOM 0 HD21 ASN A 62 1.982 46.935 44.589 1.00 12.53 H new ATOM 0 HD22 ASN A 62 2.611 46.906 43.239 1.00 12.53 H new ATOM 479 N VAL A 63 0.763 44.811 41.614 1.00 12.73 N ATOM 480 CA VAL A 63 0.108 43.509 41.869 1.00 7.21 C ATOM 481 C VAL A 63 0.556 42.973 43.195 1.00 8.50 C ATOM 482 O VAL A 63 1.587 43.470 43.705 1.00 14.96 O ATOM 483 CB VAL A 63 0.434 42.590 40.697 1.00 15.62 C ATOM 484 CG1 VAL A 63 0.000 43.279 39.422 1.00 5.96 C ATOM 485 CG2 VAL A 63 1.878 42.092 40.646 1.00 9.32 C ATOM 0 H VAL A 63 1.572 44.869 41.901 1.00 12.73 H new ATOM 0 HA VAL A 63 -0.857 43.590 41.926 1.00 7.21 H new ATOM 0 HB VAL A 63 -0.065 41.767 40.818 1.00 15.62 H new ATOM 0 HG11 VAL A 63 0.199 42.710 38.662 1.00 5.96 H new ATOM 0 HG12 VAL A 63 -0.954 43.451 39.455 1.00 5.96 H new ATOM 0 HG13 VAL A 63 0.476 44.119 39.330 1.00 5.96 H new ATOM 0 HG21 VAL A 63 1.995 41.517 39.873 1.00 9.32 H new ATOM 0 HG22 VAL A 63 2.480 42.850 40.579 1.00 9.32 H new ATOM 0 HG23 VAL A 63 2.077 41.592 41.453 1.00 9.32 H new ATOM 486 N ALA A 64 -0.253 42.130 43.756 1.00 10.67 N ATOM 487 CA ALA A 64 0.165 41.555 45.082 1.00 15.13 C ATOM 488 C ALA A 64 1.247 40.521 44.725 1.00 8.10 C ATOM 489 O ALA A 64 1.131 39.794 43.705 1.00 11.15 O ATOM 490 CB ALA A 64 -0.934 40.904 45.898 1.00 11.51 C ATOM 0 H ALA A 64 -1.009 41.865 43.443 1.00 10.67 H new ATOM 0 HA ALA A 64 0.465 42.276 45.658 1.00 15.13 H new ATOM 0 HB1 ALA A 64 -0.564 40.567 46.729 1.00 11.51 H new ATOM 0 HB2 ALA A 64 -1.623 41.558 46.093 1.00 11.51 H new ATOM 0 HB3 ALA A 64 -1.319 40.169 45.395 1.00 11.51 H new ATOM 491 N CYS A 65 2.214 40.368 45.643 1.00 17.02 N ATOM 492 CA CYS A 65 3.294 39.411 45.490 1.00 16.09 C ATOM 493 C CYS A 65 2.699 38.032 45.847 1.00 13.07 C ATOM 494 O CYS A 65 1.647 37.955 46.510 1.00 5.53 O ATOM 495 CB CYS A 65 4.551 39.679 46.357 1.00 19.72 C ATOM 496 SG CYS A 65 5.113 41.364 46.306 1.00 14.21 S ATOM 0 H CYS A 65 2.252 40.824 46.371 1.00 17.02 H new ATOM 0 HA CYS A 65 3.619 39.473 44.578 1.00 16.09 H new ATOM 0 HB2 CYS A 65 4.356 39.440 47.277 1.00 19.72 H new ATOM 0 HB3 CYS A 65 5.269 39.099 46.059 1.00 19.72 H new ATOM 497 N LYS A 66 3.340 37.036 45.439 1.00 9.62 N ATOM 498 CA LYS A 66 2.852 35.619 45.745 1.00 17.54 C ATOM 499 C LYS A 66 2.691 35.466 47.275 1.00 25.69 C ATOM 500 O LYS A 66 1.868 34.585 47.683 1.00 24.28 O ATOM 501 CB LYS A 66 3.615 34.508 45.235 1.00 5.85 C ATOM 502 CG LYS A 66 4.109 34.547 43.807 1.00 18.22 C ATOM 503 CD LYS A 66 5.023 33.321 43.501 1.00 34.51 C ATOM 504 CE LYS A 66 4.986 32.976 42.022 1.00 63.06 C ATOM 505 NZ LYS A 66 6.098 32.095 41.665 1.00 31.54 N ATOM 0 H LYS A 66 4.066 37.078 44.980 1.00 9.62 H new ATOM 0 HA LYS A 66 2.017 35.556 45.256 1.00 17.54 H new ATOM 0 HB2 LYS A 66 4.389 34.397 45.809 1.00 5.85 H new ATOM 0 HB3 LYS A 66 3.072 33.710 45.334 1.00 5.85 H new ATOM 0 HG2 LYS A 66 3.353 34.551 43.199 1.00 18.22 H new ATOM 0 HG3 LYS A 66 4.601 35.369 43.653 1.00 18.22 H new ATOM 0 HD2 LYS A 66 5.934 33.517 43.769 1.00 34.51 H new ATOM 0 HD3 LYS A 66 4.732 32.557 44.023 1.00 34.51 H new ATOM 0 HE2 LYS A 66 4.144 32.544 41.807 1.00 63.06 H new ATOM 0 HE3 LYS A 66 5.030 33.789 41.495 1.00 63.06 H new ATOM 0 HZ1 LYS A 66 6.059 31.905 40.796 1.00 31.54 H new ATOM 0 HZ2 LYS A 66 6.869 32.502 41.845 1.00 31.54 H new ATOM 0 HZ3 LYS A 66 6.043 31.342 42.136 1.00 31.54 H new ATOM 506 N ASN A 67 3.462 36.232 48.040 1.00 5.92 N ATOM 507 CA ASN A 67 3.301 36.117 49.570 1.00 2.64 C ATOM 508 C ASN A 67 2.310 37.113 50.131 1.00 46.98 C ATOM 509 O ASN A 67 2.287 37.189 51.406 1.00 16.88 O ATOM 510 CB ASN A 67 4.680 36.193 50.233 1.00 16.44 C ATOM 511 CG ASN A 67 5.242 37.572 50.386 1.00 31.91 C ATOM 512 OD1 ASN A 67 4.912 38.453 49.570 1.00 14.52 O ATOM 513 ND2 ASN A 67 6.087 37.879 51.406 1.00 20.15 N ATOM 0 H ASN A 67 4.050 36.794 47.761 1.00 5.92 H new ATOM 0 HA ASN A 67 2.915 35.252 49.778 1.00 2.64 H new ATOM 0 HB2 ASN A 67 4.623 35.784 51.111 1.00 16.44 H new ATOM 0 HB3 ASN A 67 5.303 35.662 49.712 1.00 16.44 H new ATOM 0 HD21 ASN A 67 6.392 38.679 51.486 1.00 20.15 H new ATOM 0 HD22 ASN A 67 6.317 37.273 51.971 1.00 20.15 H new ATOM 514 N GLY A 68 1.554 37.840 49.315 1.00 5.67 N ATOM 515 CA GLY A 68 0.624 38.798 49.876 1.00 6.68 C ATOM 516 C GLY A 68 1.201 40.177 49.978 1.00 7.25 C ATOM 517 O GLY A 68 0.395 41.172 50.131 1.00 5.32 O ATOM 0 H GLY A 68 1.565 37.794 48.456 1.00 5.67 H new ATOM 0 HA2 GLY A 68 -0.175 38.826 49.327 1.00 6.68 H new ATOM 0 HA3 GLY A 68 0.352 38.500 50.758 1.00 6.68 H new ATOM 518 N GLN A 69 2.494 40.330 49.825 1.00 8.16 N ATOM 519 CA GLN A 69 3.101 41.709 49.927 1.00 19.06 C ATOM 520 C GLN A 69 2.485 42.513 48.754 1.00 22.21 C ATOM 521 O GLN A 69 2.111 41.862 47.785 1.00 14.64 O ATOM 522 CB GLN A 69 4.591 41.824 49.927 1.00 24.87 C ATOM 523 CG GLN A 69 5.405 41.670 51.151 1.00 41.78 C ATOM 524 CD GLN A 69 6.881 41.441 50.896 1.00 17.16 C ATOM 525 OE1 GLN A 69 7.455 40.521 51.508 1.00 31.16 O ATOM 526 NE2 GLN A 69 7.463 42.207 49.978 1.00 7.75 N ATOM 0 H GLN A 69 3.050 39.694 49.666 1.00 8.16 H new ATOM 0 HA GLN A 69 2.889 42.049 50.810 1.00 19.06 H new ATOM 0 HB2 GLN A 69 4.919 41.167 49.293 1.00 24.87 H new ATOM 0 HB3 GLN A 69 4.801 42.699 49.564 1.00 24.87 H new ATOM 0 HG2 GLN A 69 5.302 42.465 51.697 1.00 41.78 H new ATOM 0 HG3 GLN A 69 5.057 40.925 51.666 1.00 41.78 H new ATOM 0 HE21 GLN A 69 7.014 42.828 49.589 1.00 7.75 H new ATOM 0 HE22 GLN A 69 8.289 42.081 49.774 1.00 7.75 H new ATOM 527 N THR A 70 2.514 43.777 48.958 1.00 12.45 N ATOM 528 CA THR A 70 1.805 44.734 47.989 1.00 11.81 C ATOM 529 C THR A 70 2.752 45.654 47.275 1.00 14.53 C ATOM 530 O THR A 70 2.284 46.573 46.612 1.00 18.47 O ATOM 531 CB THR A 70 0.751 45.309 48.958 1.00 24.19 C ATOM 532 OG1 THR A 70 -0.523 44.773 48.550 1.00 13.99 O ATOM 533 CG2 THR A 70 0.810 46.726 49.264 1.00 1.73 C ATOM 0 H THR A 70 2.913 44.157 49.619 1.00 12.45 H new ATOM 0 HA THR A 70 1.389 44.366 47.194 1.00 11.81 H new ATOM 0 HB THR A 70 0.957 45.011 49.858 1.00 24.19 H new ATOM 0 HG1 THR A 70 -1.125 45.064 49.058 1.00 13.99 H new ATOM 0 HG21 THR A 70 0.096 46.954 49.880 1.00 1.73 H new ATOM 0 HG22 THR A 70 1.666 46.934 49.670 1.00 1.73 H new ATOM 0 HG23 THR A 70 0.707 47.238 48.447 1.00 1.73 H new ATOM 534 N ASN A 71 4.059 45.347 47.275 1.00 3.33 N ATOM 535 CA ASN A 71 5.081 46.151 46.612 1.00 13.11 C ATOM 536 C ASN A 71 5.575 45.424 45.388 1.00 3.05 C ATOM 537 O ASN A 71 6.762 45.577 45.082 1.00 5.71 O ATOM 538 CB ASN A 71 6.185 46.534 47.581 1.00 11.43 C ATOM 539 CG ASN A 71 6.927 45.347 48.142 1.00 8.70 C ATOM 540 OD1 ASN A 71 6.332 44.275 48.499 1.00 16.74 O ATOM 541 ND2 ASN A 71 8.249 45.385 48.193 1.00 18.92 N ATOM 0 H ASN A 71 4.375 44.651 47.670 1.00 3.33 H new ATOM 0 HA ASN A 71 4.700 46.990 46.311 1.00 13.11 H new ATOM 0 HB2 ASN A 71 6.815 47.117 47.129 1.00 11.43 H new ATOM 0 HB3 ASN A 71 5.802 47.043 48.313 1.00 11.43 H new ATOM 0 HD21 ASN A 71 8.689 44.697 48.462 1.00 18.92 H new ATOM 0 HD22 ASN A 71 8.668 46.098 47.957 1.00 18.92 H new ATOM 542 N CYS A 72 4.742 44.581 44.827 1.00 8.58 N ATOM 543 CA CYS A 72 5.099 43.892 43.552 1.00 9.25 C ATOM 544 C CYS A 72 4.589 44.696 42.328 1.00 7.10 C ATOM 545 O CYS A 72 3.601 45.424 42.379 1.00 11.16 O ATOM 546 CB CYS A 72 4.643 42.436 43.552 1.00 4.75 C ATOM 547 SG CYS A 72 5.961 41.364 44.317 1.00 16.47 S ATOM 0 H CYS A 72 3.968 44.378 45.143 1.00 8.58 H new ATOM 0 HA CYS A 72 6.066 43.863 43.480 1.00 9.25 H new ATOM 0 HB2 CYS A 72 3.814 42.348 44.048 1.00 4.75 H new ATOM 0 HB3 CYS A 72 4.463 42.144 42.645 1.00 4.75 H new ATOM 548 N TYR A 73 5.355 44.390 41.309 1.00 7.78 N ATOM 549 CA TYR A 73 5.059 45.079 39.983 1.00 14.68 C ATOM 550 C TYR A 73 5.156 44.122 38.861 1.00 10.31 C ATOM 551 O TYR A 73 6.130 43.394 38.759 1.00 12.24 O ATOM 552 CB TYR A 73 5.775 46.420 39.728 1.00 11.20 C ATOM 553 CG TYR A 73 5.434 47.492 40.748 1.00 5.38 C ATOM 554 CD1 TYR A 73 6.218 47.454 41.971 1.00 1.45 C ATOM 555 CD2 TYR A 73 4.477 48.411 40.697 1.00 6.33 C ATOM 556 CE1 TYR A 73 5.923 48.373 43.042 1.00 8.09 C ATOM 557 CE2 TYR A 73 4.152 49.330 41.665 1.00 17.98 C ATOM 558 CZ TYR A 73 4.875 49.254 42.889 1.00 16.69 C ATOM 559 OH TYR A 73 4.641 50.173 43.858 1.00 17.57 O ATOM 0 H TYR A 73 6.012 43.835 41.315 1.00 7.78 H new ATOM 0 HA TYR A 73 4.137 45.372 40.052 1.00 14.68 H new ATOM 0 HB2 TYR A 73 6.734 46.273 39.733 1.00 11.20 H new ATOM 0 HB3 TYR A 73 5.541 46.740 38.843 1.00 11.20 H new ATOM 0 HD1 TYR A 73 6.909 46.838 42.063 1.00 1.45 H new ATOM 0 HD2 TYR A 73 3.969 48.435 39.918 1.00 6.33 H new ATOM 0 HE1 TYR A 73 6.431 48.371 43.821 1.00 8.09 H new ATOM 0 HE2 TYR A 73 3.492 49.971 41.527 1.00 17.98 H new ATOM 0 HH TYR A 73 3.980 50.645 43.643 1.00 17.57 H new ATOM 560 N GLN A 74 4.159 44.313 37.943 1.00 9.15 N ATOM 561 CA GLN A 74 4.226 43.394 36.719 1.00 12.94 C ATOM 562 C GLN A 74 4.477 44.198 35.495 1.00 4.86 C ATOM 563 O GLN A 74 3.825 45.271 35.240 1.00 12.37 O ATOM 564 CB GLN A 74 3.056 42.436 36.668 1.00 13.15 C ATOM 565 CG GLN A 74 3.019 41.709 35.291 1.00 7.80 C ATOM 566 CD GLN A 74 1.668 41.211 34.934 1.00 46.99 C ATOM 567 OE1 GLN A 74 0.933 40.789 35.852 1.00 22.67 O ATOM 568 NE2 GLN A 74 1.326 41.249 33.659 1.00 46.52 N ATOM 0 H GLN A 74 3.515 44.881 37.981 1.00 9.15 H new ATOM 0 HA GLN A 74 4.988 42.797 36.788 1.00 12.94 H new ATOM 0 HB2 GLN A 74 3.130 41.785 37.383 1.00 13.15 H new ATOM 0 HB3 GLN A 74 2.227 42.919 36.809 1.00 13.15 H new ATOM 0 HG2 GLN A 74 3.326 42.318 34.601 1.00 7.80 H new ATOM 0 HG3 GLN A 74 3.639 40.963 35.308 1.00 7.80 H new ATOM 0 HE21 GLN A 74 1.879 41.552 33.074 1.00 46.52 H new ATOM 0 HE22 GLN A 74 0.550 40.971 33.413 1.00 46.52 H new ATOM 569 N SER A 75 5.469 43.777 34.730 1.00 8.91 N ATOM 570 CA SER A 75 5.948 44.275 33.455 1.00 7.81 C ATOM 571 C SER A 75 4.752 44.275 32.486 1.00 5.99 C ATOM 572 O SER A 75 3.948 43.317 32.333 1.00 11.15 O ATOM 573 CB SER A 75 7.136 43.624 32.945 1.00 4.80 C ATOM 574 OG SER A 75 6.911 42.283 32.384 1.00 4.43 O ATOM 0 H SER A 75 5.939 43.102 34.981 1.00 8.91 H new ATOM 0 HA SER A 75 6.275 45.181 33.572 1.00 7.81 H new ATOM 0 HB2 SER A 75 7.529 44.186 32.259 1.00 4.80 H new ATOM 0 HB3 SER A 75 7.786 43.556 33.662 1.00 4.80 H new ATOM 0 HG SER A 75 6.890 42.330 31.546 1.00 4.43 H new ATOM 575 N TYR A 76 4.680 45.424 31.823 1.00 21.15 N ATOM 576 CA TYR A 76 3.622 45.577 30.803 1.00 18.30 C ATOM 577 C TYR A 76 4.009 44.619 29.630 1.00 24.05 C ATOM 578 O TYR A 76 3.115 43.968 29.171 1.00 26.40 O ATOM 579 CB TYR A 76 3.579 47.032 30.344 1.00 14.23 C ATOM 580 CG TYR A 76 2.965 47.990 31.364 1.00 16.35 C ATOM 581 CD1 TYR A 76 1.882 47.607 32.129 1.00 16.83 C ATOM 582 CD2 TYR A 76 3.451 49.292 31.466 1.00 15.66 C ATOM 583 CE1 TYR A 76 1.329 48.488 33.047 1.00 18.66 C ATOM 584 CE2 TYR A 76 2.899 50.173 32.384 1.00 28.74 C ATOM 585 CZ TYR A 76 1.815 49.790 33.149 1.00 12.64 C ATOM 586 OH TYR A 76 1.323 50.671 34.067 1.00 27.36 O ATOM 0 H TYR A 76 5.200 46.100 31.932 1.00 21.15 H new ATOM 0 HA TYR A 76 2.741 45.354 31.143 1.00 18.30 H new ATOM 0 HB2 TYR A 76 4.482 47.324 30.143 1.00 14.23 H new ATOM 0 HB3 TYR A 76 3.073 47.086 29.518 1.00 14.23 H new ATOM 0 HD1 TYR A 76 1.522 46.755 32.029 1.00 16.83 H new ATOM 0 HD2 TYR A 76 4.148 49.571 30.917 1.00 15.66 H new ATOM 0 HE1 TYR A 76 0.632 48.209 33.596 1.00 18.66 H new ATOM 0 HE2 TYR A 76 3.260 51.024 32.485 1.00 28.74 H new ATOM 0 HH TYR A 76 1.725 51.405 33.994 1.00 27.36 H new ATOM 587 N SER A 77 5.288 44.619 29.324 1.00 12.05 N ATOM 588 CA SER A 77 5.886 43.853 28.253 1.00 24.42 C ATOM 589 C SER A 77 6.386 42.475 28.610 1.00 28.11 C ATOM 590 O SER A 77 6.622 42.283 29.834 1.00 10.27 O ATOM 591 CB SER A 77 7.166 44.619 27.743 1.00 28.02 C ATOM 592 OG SER A 77 7.690 43.930 26.621 1.00 78.86 O ATOM 0 H SER A 77 5.862 45.090 29.757 1.00 12.05 H new ATOM 0 HA SER A 77 5.167 43.752 27.609 1.00 24.42 H new ATOM 0 HB2 SER A 77 6.939 45.531 27.502 1.00 28.02 H new ATOM 0 HB3 SER A 77 7.831 44.669 28.447 1.00 28.02 H new ATOM 0 HG SER A 77 8.290 43.399 26.873 1.00 78.86 H new ATOM 593 N THR A 78 6.574 41.632 27.590 1.00 8.22 N ATOM 594 CA THR A 78 7.135 40.330 27.845 1.00 15.58 C ATOM 595 C THR A 78 8.640 40.675 27.794 1.00 12.04 C ATOM 596 O THR A 78 8.918 41.670 27.080 1.00 11.53 O ATOM 597 CB THR A 78 6.670 39.257 26.876 1.00 16.81 C ATOM 598 OG1 THR A 78 7.133 39.870 25.652 1.00 19.05 O ATOM 599 CG2 THR A 78 5.181 39.028 26.774 1.00 18.94 C ATOM 0 H THR A 78 6.385 41.800 26.768 1.00 8.22 H new ATOM 0 HA THR A 78 6.861 39.916 28.679 1.00 15.58 H new ATOM 0 HB THR A 78 6.993 38.377 27.125 1.00 16.81 H new ATOM 0 HG1 THR A 78 6.943 39.375 25.001 1.00 19.05 H new ATOM 0 HG21 THR A 78 5.005 38.325 26.129 1.00 18.94 H new ATOM 0 HG22 THR A 78 4.834 38.766 27.641 1.00 18.94 H new ATOM 0 HG23 THR A 78 4.747 39.846 26.486 1.00 18.94 H new ATOM 600 N MET A 79 9.397 39.870 28.406 1.00 20.36 N ATOM 601 CA MET A 79 10.841 39.985 28.457 1.00 26.33 C ATOM 602 C MET A 79 11.510 38.645 28.253 1.00 5.34 C ATOM 603 O MET A 79 10.855 37.611 28.508 1.00 9.48 O ATOM 604 CB MET A 79 11.304 40.521 29.834 1.00 9.31 C ATOM 605 CG MET A 79 10.923 42.015 29.885 1.00 28.95 C ATOM 606 SD MET A 79 11.492 42.590 31.517 1.00 12.28 S ATOM 607 CE MET A 79 10.885 44.313 31.313 1.00 15.48 C ATOM 0 H MET A 79 9.097 39.190 28.839 1.00 20.36 H new ATOM 0 HA MET A 79 11.092 40.597 27.747 1.00 26.33 H new ATOM 0 HB2 MET A 79 10.876 40.032 30.554 1.00 9.31 H new ATOM 0 HB3 MET A 79 12.261 40.407 29.943 1.00 9.31 H new ATOM 0 HG2 MET A 79 11.350 42.511 29.169 1.00 28.95 H new ATOM 0 HG3 MET A 79 9.966 42.137 29.783 1.00 28.95 H new ATOM 0 HE1 MET A 79 11.093 44.826 32.109 1.00 15.48 H new ATOM 0 HE2 MET A 79 11.316 44.719 30.545 1.00 15.48 H new ATOM 0 HE3 MET A 79 9.925 44.304 31.177 1.00 15.48 H new ATOM 608 N SER A 80 12.669 38.645 27.641 1.00 9.11 N ATOM 609 CA SER A 80 13.507 37.496 27.386 1.00 6.99 C ATOM 610 C SER A 80 14.061 36.959 28.763 1.00 6.96 C ATOM 611 O SER A 80 14.742 37.764 29.324 1.00 8.74 O ATOM 612 CB SER A 80 14.546 37.572 26.366 1.00 7.83 C ATOM 613 OG SER A 80 15.459 36.500 26.264 1.00 16.43 O ATOM 0 H SER A 80 13.016 39.371 27.339 1.00 9.11 H new ATOM 0 HA SER A 80 12.908 36.868 26.953 1.00 6.99 H new ATOM 0 HB2 SER A 80 14.110 37.673 25.505 1.00 7.83 H new ATOM 0 HB3 SER A 80 15.056 38.382 26.522 1.00 7.83 H new ATOM 0 HG SER A 80 16.135 36.748 25.832 1.00 16.43 H new ATOM 614 N ILE A 81 13.512 35.811 29.069 1.00 1.81 N ATOM 615 CA ILE A 81 14.082 35.274 30.395 1.00 9.09 C ATOM 616 C ILE A 81 14.661 33.896 30.191 1.00 13.81 C ATOM 617 O ILE A 81 14.271 33.091 29.273 1.00 8.07 O ATOM 618 CB ILE A 81 12.997 35.313 31.364 1.00 3.93 C ATOM 619 CG1 ILE A 81 11.738 34.508 31.007 1.00 10.19 C ATOM 620 CG2 ILE A 81 12.675 36.768 31.823 1.00 4.46 C ATOM 621 CD1 ILE A 81 10.911 33.972 32.129 1.00 16.86 C ATOM 0 H ILE A 81 12.916 35.358 28.647 1.00 1.81 H new ATOM 0 HA ILE A 81 14.817 35.814 30.727 1.00 9.09 H new ATOM 0 HB ILE A 81 13.351 34.830 32.127 1.00 3.93 H new ATOM 0 HG12 ILE A 81 11.169 35.072 30.461 1.00 10.19 H new ATOM 0 HG13 ILE A 81 12.010 33.759 30.454 1.00 10.19 H new ATOM 0 HG21 ILE A 81 11.949 36.751 32.466 1.00 4.46 H new ATOM 0 HG22 ILE A 81 13.462 37.159 32.234 1.00 4.46 H new ATOM 0 HG23 ILE A 81 12.414 37.299 31.055 1.00 4.46 H new ATOM 0 HD11 ILE A 81 10.152 33.487 31.769 1.00 16.86 H new ATOM 0 HD12 ILE A 81 11.449 33.373 32.670 1.00 16.86 H new ATOM 0 HD13 ILE A 81 10.594 34.707 32.678 1.00 16.86 H new ATOM 622 N THR A 82 15.537 33.513 31.109 1.00 13.88 N ATOM 623 CA THR A 82 16.114 32.210 31.211 1.00 9.14 C ATOM 624 C THR A 82 15.711 31.559 32.537 1.00 13.08 C ATOM 625 O THR A 82 16.024 32.134 33.608 1.00 7.44 O ATOM 626 CB THR A 82 17.605 32.095 31.007 1.00 3.86 C ATOM 627 OG1 THR A 82 17.841 32.478 29.630 1.00 7.04 O ATOM 628 CG2 THR A 82 18.136 30.678 31.262 1.00 12.78 C ATOM 0 H THR A 82 15.820 34.048 31.720 1.00 13.88 H new ATOM 0 HA THR A 82 15.744 31.736 30.450 1.00 9.14 H new ATOM 0 HB THR A 82 18.072 32.663 31.640 1.00 3.86 H new ATOM 0 HG1 THR A 82 17.166 32.291 29.167 1.00 7.04 H new ATOM 0 HG21 THR A 82 19.095 30.661 31.117 1.00 12.78 H new ATOM 0 HG22 THR A 82 17.943 30.420 32.177 1.00 12.78 H new ATOM 0 HG23 THR A 82 17.706 30.057 30.653 1.00 12.78 H new ATOM 629 N ASP A 83 15.028 30.410 32.384 1.00 8.39 N ATOM 630 CA ASP A 83 14.595 29.797 33.710 1.00 3.54 C ATOM 631 C ASP A 83 15.703 28.763 34.067 1.00 11.37 C ATOM 632 O ASP A 83 16.072 27.959 33.251 1.00 8.05 O ATOM 633 CB ASP A 83 13.197 29.261 33.608 1.00 27.04 C ATOM 634 CG ASP A 83 12.309 29.721 34.730 1.00 55.40 C ATOM 635 OD1 ASP A 83 12.318 29.070 35.801 1.00 46.70 O ATOM 636 OD2 ASP A 83 11.641 30.755 34.526 1.00 42.53 O ATOM 0 H ASP A 83 14.820 30.004 31.655 1.00 8.39 H new ATOM 0 HA ASP A 83 14.529 30.433 34.439 1.00 3.54 H new ATOM 0 HB2 ASP A 83 12.811 29.537 32.762 1.00 27.04 H new ATOM 0 HB3 ASP A 83 13.227 28.291 33.603 1.00 27.04 H new ATOM 637 N CYS A 84 16.120 28.687 35.393 1.00 4.98 N ATOM 638 CA CYS A 84 17.152 27.653 35.699 1.00 19.65 C ATOM 639 C CYS A 84 16.568 26.810 36.821 1.00 21.78 C ATOM 640 O CYS A 84 16.091 27.423 37.790 1.00 16.58 O ATOM 641 CB CYS A 84 18.457 28.342 36.209 1.00 17.94 C ATOM 642 SG CYS A 84 19.284 29.338 34.985 1.00 7.92 S ATOM 0 H CYS A 84 15.845 29.172 36.048 1.00 4.98 H new ATOM 0 HA CYS A 84 17.371 27.125 34.915 1.00 19.65 H new ATOM 0 HB2 CYS A 84 18.239 28.900 36.972 1.00 17.94 H new ATOM 0 HB3 CYS A 84 19.070 27.659 36.523 1.00 17.94 H new ATOM 643 N ARG A 85 16.387 25.546 36.617 1.00 3.27 N ATOM 644 CA ARG A 85 15.849 24.550 37.586 1.00 15.82 C ATOM 645 C ARG A 85 16.820 23.478 37.892 1.00 22.29 C ATOM 646 O ARG A 85 17.373 22.788 36.974 1.00 9.39 O ATOM 647 CB ARG A 85 14.607 23.976 36.872 1.00 19.90 C ATOM 648 CG ARG A 85 13.660 23.133 37.688 1.00 13.88 C ATOM 649 CD ARG A 85 12.488 24.052 38.045 1.00 58.32 C ATOM 650 NE ARG A 85 12.115 24.742 36.770 1.00 28.11 N ATOM 651 CZ ARG A 85 11.263 25.776 36.872 1.00 53.20 C ATOM 652 NH1 ARG A 85 10.907 26.312 38.045 1.00 45.48 N ATOM 653 NH2 ARG A 85 10.722 26.274 35.750 1.00 74.54 N ATOM 0 H ARG A 85 16.580 25.185 35.861 1.00 3.27 H new ATOM 0 HA ARG A 85 15.647 24.956 38.444 1.00 15.82 H new ATOM 0 HB2 ARG A 85 14.104 24.719 36.503 1.00 19.90 H new ATOM 0 HB3 ARG A 85 14.913 23.441 36.123 1.00 19.90 H new ATOM 0 HG2 ARG A 85 13.357 22.362 37.183 1.00 13.88 H new ATOM 0 HG3 ARG A 85 14.094 22.796 38.487 1.00 13.88 H new ATOM 0 HD2 ARG A 85 11.741 23.544 38.398 1.00 58.32 H new ATOM 0 HD3 ARG A 85 12.743 24.693 38.727 1.00 58.32 H new ATOM 0 HE ARG A 85 12.430 24.489 36.011 1.00 28.11 H new ATOM 0 HH11 ARG A 85 11.227 25.995 38.778 1.00 45.48 H new ATOM 0 HH12 ARG A 85 10.358 26.974 38.066 1.00 45.48 H new ATOM 0 HH21 ARG A 85 10.923 25.932 34.987 1.00 74.54 H new ATOM 0 HH22 ARG A 85 10.174 26.936 35.794 1.00 74.54 H new ATOM 654 N GLU A 86 17.026 23.171 39.218 1.00 4.69 N ATOM 655 CA GLU A 86 18.043 22.099 39.473 1.00 8.59 C ATOM 656 C GLU A 86 17.513 20.759 39.014 1.00 11.22 C ATOM 657 O GLU A 86 16.326 20.490 39.218 1.00 16.00 O ATOM 658 CB GLU A 86 18.292 22.061 40.952 1.00 14.20 C ATOM 659 CG GLU A 86 19.445 21.295 41.462 1.00 26.42 C ATOM 660 CD GLU A 86 19.649 21.295 42.991 1.00 15.31 C ATOM 661 OE1 GLU A 86 18.611 21.601 43.603 1.00 22.69 O ATOM 662 OE2 GLU A 86 20.772 20.988 43.297 1.00 7.70 O ATOM 0 H GLU A 86 16.640 23.523 39.901 1.00 4.69 H new ATOM 0 HA GLU A 86 18.862 22.285 38.987 1.00 8.59 H new ATOM 0 HB2 GLU A 86 18.391 22.977 41.256 1.00 14.20 H new ATOM 0 HB3 GLU A 86 17.494 21.706 41.375 1.00 14.20 H new ATOM 0 HG2 GLU A 86 19.352 20.375 41.168 1.00 26.42 H new ATOM 0 HG3 GLU A 86 20.249 21.645 41.048 1.00 26.42 H new ATOM 663 N THR A 87 18.428 19.993 38.504 1.00 8.80 N ATOM 664 CA THR A 87 18.264 18.652 37.943 1.00 19.69 C ATOM 665 C THR A 87 18.410 17.541 38.963 1.00 49.29 C ATOM 666 O THR A 87 19.043 17.848 39.983 1.00 11.46 O ATOM 667 CB THR A 87 19.335 18.461 36.821 1.00 13.04 C ATOM 668 OG1 THR A 87 18.718 19.188 35.750 1.00 38.55 O ATOM 669 CG2 THR A 87 19.671 17.082 36.413 1.00 29.12 C ATOM 0 H THR A 87 19.247 20.253 38.465 1.00 8.80 H new ATOM 0 HA THR A 87 17.359 18.590 37.600 1.00 19.69 H new ATOM 0 HB THR A 87 20.208 18.760 37.121 1.00 13.04 H new ATOM 0 HG1 THR A 87 19.212 19.160 35.071 1.00 38.55 H new ATOM 0 HG21 THR A 87 20.344 17.106 35.714 1.00 29.12 H new ATOM 0 HG22 THR A 87 20.016 16.593 37.177 1.00 29.12 H new ATOM 0 HG23 THR A 87 18.875 16.640 36.079 1.00 29.12 H new ATOM 670 N GLY A 88 17.850 16.392 38.606 1.00 26.67 N ATOM 671 CA GLY A 88 17.921 15.205 39.473 1.00 0.50 C ATOM 672 C GLY A 88 19.379 14.784 39.677 1.00 11.56 C ATOM 673 O GLY A 88 19.586 13.979 40.595 1.00 20.20 O ATOM 0 H GLY A 88 17.424 16.272 37.869 1.00 26.67 H new ATOM 0 HA2 GLY A 88 17.510 15.398 40.330 1.00 0.50 H new ATOM 0 HA3 GLY A 88 17.420 14.476 39.076 1.00 0.50 H new ATOM 674 N SER A 89 20.250 15.205 38.810 1.00 3.11 N ATOM 675 CA SER A 89 21.679 14.822 38.912 1.00 15.51 C ATOM 676 C SER A 89 22.388 15.856 39.779 1.00 23.86 C ATOM 677 O SER A 89 23.587 15.741 40.034 1.00 12.13 O ATOM 678 CB SER A 89 22.340 14.784 37.535 1.00 9.62 C ATOM 679 OG SER A 89 21.813 13.711 36.770 1.00 44.94 O ATOM 0 H SER A 89 20.062 15.715 38.144 1.00 3.11 H new ATOM 0 HA SER A 89 21.743 13.936 39.302 1.00 15.51 H new ATOM 0 HB2 SER A 89 22.190 15.624 37.073 1.00 9.62 H new ATOM 0 HB3 SER A 89 23.300 14.681 37.632 1.00 9.62 H new ATOM 0 HG SER A 89 22.180 13.698 36.015 1.00 44.94 H new ATOM 680 N SER A 90 21.595 16.852 40.187 1.00 5.85 N ATOM 681 CA SER A 90 22.305 17.963 40.952 1.00 1.86 C ATOM 682 C SER A 90 22.845 17.350 42.277 1.00 6.57 C ATOM 683 O SER A 90 22.050 16.929 42.991 1.00 21.59 O ATOM 684 CB SER A 90 21.453 19.112 41.156 1.00 5.07 C ATOM 685 OG SER A 90 22.255 20.261 41.716 1.00 17.59 O ATOM 0 H SER A 90 20.747 16.929 40.066 1.00 5.85 H new ATOM 0 HA SER A 90 23.051 18.308 40.436 1.00 1.86 H new ATOM 0 HB2 SER A 90 21.044 19.373 40.316 1.00 5.07 H new ATOM 0 HB3 SER A 90 20.732 18.885 41.764 1.00 5.07 H new ATOM 0 HG SER A 90 21.993 20.433 42.495 1.00 17.59 H new ATOM 686 N LYS A 91 24.197 17.580 42.430 1.00 17.83 N ATOM 687 CA LYS A 91 24.812 17.158 43.705 1.00 32.19 C ATOM 688 C LYS A 91 25.767 18.192 44.266 1.00 4.28 C ATOM 689 O LYS A 91 26.895 18.346 43.654 1.00 14.39 O ATOM 690 CB LYS A 91 25.527 15.818 43.654 1.00 34.43 C ATOM 691 CG LYS A 91 26.539 15.703 44.827 1.00 24.73 C ATOM 692 CD LYS A 91 27.130 14.362 45.082 1.00 31.72 C ATOM 693 CE LYS A 91 26.243 13.596 46.102 1.00 59.27 C ATOM 694 NZ LYS A 91 25.781 14.592 47.122 1.00 50.25 N ATOM 0 H LYS A 91 24.719 17.947 41.854 1.00 17.83 H new ATOM 0 HA LYS A 91 24.047 17.062 44.293 1.00 32.19 H new ATOM 0 HB2 LYS A 91 24.880 15.097 43.705 1.00 34.43 H new ATOM 0 HB3 LYS A 91 25.991 15.724 42.807 1.00 34.43 H new ATOM 0 HG2 LYS A 91 27.264 16.325 44.661 1.00 24.73 H new ATOM 0 HG3 LYS A 91 26.094 15.995 45.638 1.00 24.73 H new ATOM 0 HD2 LYS A 91 27.194 13.862 44.253 1.00 31.72 H new ATOM 0 HD3 LYS A 91 28.032 14.455 45.427 1.00 31.72 H new ATOM 0 HE2 LYS A 91 25.485 13.185 45.657 1.00 59.27 H new ATOM 0 HE3 LYS A 91 26.745 12.881 46.524 1.00 59.27 H new ATOM 0 HZ1 LYS A 91 25.650 14.181 47.900 1.00 50.25 H new ATOM 0 HZ2 LYS A 91 26.400 15.224 47.222 1.00 50.25 H new ATOM 0 HZ3 LYS A 91 25.019 14.963 46.851 1.00 50.25 H new ATOM 695 N TYR A 92 25.518 18.920 45.286 1.00 0.50 N ATOM 696 CA TYR A 92 26.473 19.954 45.745 1.00 1.50 C ATOM 697 C TYR A 92 27.901 19.341 45.847 1.00 18.89 C ATOM 698 O TYR A 92 28.019 18.269 46.459 1.00 21.05 O ATOM 699 CB TYR A 92 26.100 20.490 47.071 1.00 5.00 C ATOM 700 CG TYR A 92 27.010 21.678 47.479 1.00 10.58 C ATOM 701 CD1 TYR A 92 26.769 22.980 47.071 1.00 0.50 C ATOM 702 CD2 TYR A 92 27.992 21.448 48.448 1.00 27.30 C ATOM 703 CE1 TYR A 92 27.709 23.976 47.479 1.00 5.87 C ATOM 704 CE2 TYR A 92 28.856 22.444 48.907 1.00 31.10 C ATOM 705 CZ TYR A 92 28.707 23.708 48.397 1.00 17.46 C ATOM 706 OH TYR A 92 29.510 24.703 48.856 1.00 18.04 O ATOM 0 H TYR A 92 24.802 18.860 45.759 1.00 0.50 H new ATOM 0 HA TYR A 92 26.454 20.677 45.098 1.00 1.50 H new ATOM 0 HB2 TYR A 92 25.174 20.780 47.056 1.00 5.00 H new ATOM 0 HB3 TYR A 92 26.166 19.787 47.736 1.00 5.00 H new ATOM 0 HD1 TYR A 92 26.027 23.196 46.554 1.00 0.50 H new ATOM 0 HD2 TYR A 92 28.073 20.592 48.803 1.00 27.30 H new ATOM 0 HE1 TYR A 92 27.647 24.830 47.116 1.00 5.87 H new ATOM 0 HE2 TYR A 92 29.512 22.256 49.539 1.00 31.10 H new ATOM 0 HH TYR A 92 29.256 25.438 48.538 1.00 18.04 H new ATOM 707 N PRO A 93 28.907 20.031 45.337 1.00 12.01 N ATOM 708 CA PRO A 93 28.971 21.295 44.725 1.00 7.91 C ATOM 709 C PRO A 93 28.859 21.371 43.195 1.00 4.26 C ATOM 710 O PRO A 93 28.876 22.482 42.736 1.00 13.49 O ATOM 711 CB PRO A 93 30.291 21.869 45.286 1.00 10.31 C ATOM 712 CG PRO A 93 31.218 20.644 45.235 1.00 14.84 C ATOM 713 CD PRO A 93 30.304 19.456 45.541 1.00 17.71 C ATOM 0 HA PRO A 93 28.177 21.810 44.938 1.00 7.91 H new ATOM 0 HB2 PRO A 93 30.627 22.602 44.746 1.00 10.31 H new ATOM 0 HB3 PRO A 93 30.185 22.207 46.189 1.00 10.31 H new ATOM 0 HG2 PRO A 93 31.635 20.553 44.364 1.00 14.84 H new ATOM 0 HG3 PRO A 93 31.934 20.716 45.886 1.00 14.84 H new ATOM 0 HD2 PRO A 93 30.475 18.710 44.946 1.00 17.71 H new ATOM 0 HD3 PRO A 93 30.429 19.131 46.446 1.00 17.71 H new ATOM 714 N ASN A 94 28.649 20.184 42.685 1.00 11.79 N ATOM 715 CA ASN A 94 28.353 20.031 41.258 1.00 30.60 C ATOM 716 C ASN A 94 26.865 20.222 41.054 1.00 28.20 C ATOM 717 O ASN A 94 26.136 19.227 40.850 1.00 23.64 O ATOM 718 CB ASN A 94 28.842 18.690 40.748 1.00 26.06 C ATOM 719 CG ASN A 94 30.345 18.575 41.105 1.00 47.95 C ATOM 720 OD1 ASN A 94 31.093 19.418 40.646 1.00 29.86 O ATOM 721 ND2 ASN A 94 30.675 17.618 41.920 1.00 34.42 N ATOM 0 H ASN A 94 28.670 19.450 43.132 1.00 11.79 H new ATOM 0 HA ASN A 94 28.824 20.703 40.741 1.00 30.60 H new ATOM 0 HB2 ASN A 94 28.339 17.967 41.154 1.00 26.06 H new ATOM 0 HB3 ASN A 94 28.713 18.622 39.789 1.00 26.06 H new ATOM 0 HD21 ASN A 94 31.490 17.539 42.183 1.00 34.42 H new ATOM 0 HD22 ASN A 94 30.078 17.063 42.196 1.00 34.42 H new ATOM 722 N CYS A 95 26.408 21.448 41.156 1.00 9.69 N ATOM 723 CA CYS A 95 25.011 21.831 40.952 1.00 20.62 C ATOM 724 C CYS A 95 24.685 21.716 39.422 1.00 9.79 C ATOM 725 O CYS A 95 25.541 22.099 38.606 1.00 13.80 O ATOM 726 CB CYS A 95 24.795 23.248 41.462 1.00 6.56 C ATOM 727 SG CYS A 95 25.256 23.363 43.246 1.00 11.16 S ATOM 0 H CYS A 95 26.914 22.114 41.353 1.00 9.69 H new ATOM 0 HA CYS A 95 24.416 21.245 41.445 1.00 20.62 H new ATOM 0 HB2 CYS A 95 25.328 23.870 40.943 1.00 6.56 H new ATOM 0 HB3 CYS A 95 23.867 23.503 41.344 1.00 6.56 H new ATOM 728 N ALA A 96 23.562 21.142 39.116 1.00 20.93 N ATOM 729 CA ALA A 96 23.190 20.950 37.739 1.00 10.89 C ATOM 730 C ALA A 96 21.778 21.525 37.484 1.00 9.01 C ATOM 731 O ALA A 96 20.952 21.218 38.300 1.00 11.62 O ATOM 732 CB ALA A 96 23.375 19.456 37.331 1.00 7.51 C ATOM 0 H ALA A 96 22.991 20.851 39.690 1.00 20.93 H new ATOM 0 HA ALA A 96 23.782 21.449 37.154 1.00 10.89 H new ATOM 0 HB1 ALA A 96 23.121 19.340 36.402 1.00 7.51 H new ATOM 0 HB2 ALA A 96 24.304 19.202 37.446 1.00 7.51 H new ATOM 0 HB3 ALA A 96 22.815 18.896 37.891 1.00 7.51 H new ATOM 733 N TYR A 97 21.678 22.329 36.413 1.00 4.64 N ATOM 734 CA TYR A 97 20.495 23.018 36.005 1.00 0.50 C ATOM 735 C TYR A 97 20.062 22.635 34.526 1.00 2.56 C ATOM 736 O TYR A 97 20.827 22.329 33.710 1.00 10.98 O ATOM 737 CB TYR A 97 20.372 24.550 36.107 1.00 8.25 C ATOM 738 CG TYR A 97 20.896 24.857 37.586 1.00 5.19 C ATOM 739 CD1 TYR A 97 22.201 24.895 37.892 1.00 18.82 C ATOM 740 CD2 TYR A 97 19.857 25.048 38.504 1.00 2.74 C ATOM 741 CE1 TYR A 97 22.543 25.201 39.269 1.00 1.98 C ATOM 742 CE2 TYR A 97 20.244 25.355 39.830 1.00 5.03 C ATOM 743 CZ TYR A 97 21.550 25.393 40.136 1.00 8.66 C ATOM 744 OH TYR A 97 21.952 25.699 41.513 1.00 10.92 O ATOM 0 H TYR A 97 22.346 22.480 35.892 1.00 4.64 H new ATOM 0 HA TYR A 97 19.916 22.688 36.710 1.00 0.50 H new ATOM 0 HB2 TYR A 97 20.909 24.999 35.436 1.00 8.25 H new ATOM 0 HB3 TYR A 97 19.457 24.846 35.982 1.00 8.25 H new ATOM 0 HD1 TYR A 97 22.856 24.733 37.252 1.00 18.82 H new ATOM 0 HD2 TYR A 97 18.963 24.977 38.257 1.00 2.74 H new ATOM 0 HE1 TYR A 97 23.431 25.261 39.539 1.00 1.98 H new ATOM 0 HE2 TYR A 97 19.602 25.528 40.480 1.00 5.03 H new ATOM 0 HH TYR A 97 21.268 25.832 41.982 1.00 10.92 H new ATOM 745 N LYS A 98 18.740 22.712 34.577 1.00 5.51 N ATOM 746 CA LYS A 98 17.987 22.520 33.251 1.00 5.64 C ATOM 747 C LYS A 98 17.823 23.899 32.792 1.00 13.49 C ATOM 748 O LYS A 98 17.362 24.742 33.608 1.00 9.66 O ATOM 749 CB LYS A 98 16.663 21.831 33.608 1.00 12.82 C ATOM 750 CG LYS A 98 15.651 21.946 32.435 1.00 31.96 C ATOM 751 CD LYS A 98 16.312 21.410 31.160 1.00 30.93 C ATOM 752 CE LYS A 98 16.645 19.916 31.364 1.00 51.90 C ATOM 753 NZ LYS A 98 17.185 19.341 30.089 1.00 71.38 N ATOM 0 H LYS A 98 18.262 22.858 35.277 1.00 5.51 H new ATOM 0 HA LYS A 98 18.411 21.979 32.567 1.00 5.64 H new ATOM 0 HB2 LYS A 98 16.824 20.896 33.812 1.00 12.82 H new ATOM 0 HB3 LYS A 98 16.288 22.235 34.406 1.00 12.82 H new ATOM 0 HG2 LYS A 98 14.847 21.442 32.634 1.00 31.96 H new ATOM 0 HG3 LYS A 98 15.383 22.870 32.312 1.00 31.96 H new ATOM 0 HD2 LYS A 98 15.718 21.521 30.401 1.00 30.93 H new ATOM 0 HD3 LYS A 98 17.119 21.911 30.964 1.00 30.93 H new ATOM 0 HE2 LYS A 98 17.296 19.815 32.076 1.00 51.90 H new ATOM 0 HE3 LYS A 98 15.849 19.432 31.636 1.00 51.90 H new ATOM 0 HZ1 LYS A 98 17.376 18.480 30.209 1.00 71.38 H new ATOM 0 HZ2 LYS A 98 16.576 19.422 29.445 1.00 71.38 H new ATOM 0 HZ3 LYS A 98 17.924 19.779 29.855 1.00 71.38 H new ATOM 754 N THR A 99 18.164 24.320 31.568 1.00 11.80 N ATOM 755 CA THR A 99 18.015 25.623 31.058 1.00 6.72 C ATOM 756 C THR A 99 16.774 25.738 30.140 1.00 14.56 C ATOM 757 O THR A 99 16.673 24.972 29.171 1.00 9.25 O ATOM 758 CB THR A 99 19.266 25.967 30.242 1.00 3.21 C ATOM 759 OG1 THR A 99 20.386 26.082 31.160 1.00 10.96 O ATOM 760 CG2 THR A 99 19.210 27.308 29.426 1.00 4.51 C ATOM 0 H THR A 99 18.514 23.786 30.992 1.00 11.80 H new ATOM 0 HA THR A 99 17.898 26.234 31.802 1.00 6.72 H new ATOM 0 HB THR A 99 19.348 25.252 29.591 1.00 3.21 H new ATOM 0 HG1 THR A 99 20.321 26.798 31.594 1.00 10.96 H new ATOM 0 HG21 THR A 99 20.045 27.431 28.948 1.00 4.51 H new ATOM 0 HG22 THR A 99 18.477 27.271 28.791 1.00 4.51 H new ATOM 0 HG23 THR A 99 19.073 28.051 30.034 1.00 4.51 H new ATOM 761 N THR A 100 15.966 26.695 30.497 1.00 7.90 N ATOM 762 CA THR A 100 14.709 27.001 29.732 1.00 17.49 C ATOM 763 C THR A 100 14.529 28.457 29.324 1.00 15.47 C ATOM 764 O THR A 100 14.357 29.338 30.191 1.00 11.08 O ATOM 765 CB THR A 100 13.533 26.542 30.701 1.00 11.26 C ATOM 766 OG1 THR A 100 13.744 25.201 31.007 1.00 26.19 O ATOM 767 CG2 THR A 100 12.185 26.733 29.936 1.00 42.67 C ATOM 0 H THR A 100 16.097 27.202 31.179 1.00 7.90 H new ATOM 0 HA THR A 100 14.730 26.536 28.881 1.00 17.49 H new ATOM 0 HB THR A 100 13.507 27.058 31.522 1.00 11.26 H new ATOM 0 HG1 THR A 100 13.136 24.932 31.521 1.00 26.19 H new ATOM 0 HG21 THR A 100 11.448 26.460 30.505 1.00 42.67 H new ATOM 0 HG22 THR A 100 12.079 27.667 29.696 1.00 42.67 H new ATOM 0 HG23 THR A 100 12.190 26.191 29.132 1.00 42.67 H new ATOM 768 N GLN A 101 14.552 28.763 28.049 1.00 18.59 N ATOM 769 CA GLN A 101 14.433 30.180 27.539 1.00 2.96 C ATOM 770 C GLN A 101 12.960 30.487 27.284 1.00 40.84 C ATOM 771 O GLN A 101 12.264 29.568 26.774 1.00 20.12 O ATOM 772 CB GLN A 101 15.307 30.180 26.264 1.00 5.46 C ATOM 773 CG GLN A 101 15.463 31.483 25.550 1.00 22.88 C ATOM 774 CD GLN A 101 15.838 32.632 26.417 1.00 27.01 C ATOM 775 OE1 GLN A 101 16.699 32.517 27.284 1.00 11.63 O ATOM 776 NE2 GLN A 101 15.171 33.781 26.111 1.00 14.53 N ATOM 0 H GLN A 101 14.636 28.177 27.425 1.00 18.59 H new ATOM 0 HA GLN A 101 14.733 30.870 28.151 1.00 2.96 H new ATOM 0 HB2 GLN A 101 16.191 29.860 26.504 1.00 5.46 H new ATOM 0 HB3 GLN A 101 14.932 29.538 25.641 1.00 5.46 H new ATOM 0 HG2 GLN A 101 16.138 31.381 24.861 1.00 22.88 H new ATOM 0 HG3 GLN A 101 14.629 31.692 25.101 1.00 22.88 H new ATOM 0 HE21 GLN A 101 14.579 33.781 25.487 1.00 14.53 H new ATOM 0 HE22 GLN A 101 15.343 34.505 26.542 1.00 14.53 H new ATOM 777 N ALA A 102 12.457 31.674 27.539 1.00 7.41 N ATOM 778 CA ALA A 102 11.014 32.019 27.386 1.00 9.27 C ATOM 779 C ALA A 102 10.923 33.513 27.284 1.00 9.64 C ATOM 780 O ALA A 102 11.940 34.202 27.539 1.00 12.36 O ATOM 781 CB ALA A 102 10.262 31.444 28.559 1.00 16.38 C ATOM 0 H ALA A 102 12.937 32.333 27.813 1.00 7.41 H new ATOM 0 HA ALA A 102 10.613 31.642 26.587 1.00 9.27 H new ATOM 0 HB1 ALA A 102 9.320 31.659 28.476 1.00 16.38 H new ATOM 0 HB2 ALA A 102 10.373 30.481 28.574 1.00 16.38 H new ATOM 0 HB3 ALA A 102 10.608 31.822 29.382 1.00 16.38 H new ATOM 782 N ASN A 103 9.847 34.049 26.825 1.00 20.44 N ATOM 783 CA ASN A 103 9.558 35.504 26.774 1.00 24.28 C ATOM 784 C ASN A 103 8.367 35.619 27.692 1.00 29.76 C ATOM 785 O ASN A 103 7.305 35.083 27.386 1.00 17.84 O ATOM 786 CB ASN A 103 9.248 35.964 25.295 1.00 20.64 C ATOM 787 CG ASN A 103 10.453 35.849 24.428 1.00 40.34 C ATOM 788 OD1 ASN A 103 10.595 34.891 23.663 1.00 41.92 O ATOM 789 ND2 ASN A 103 11.335 36.845 24.428 1.00 41.69 N ATOM 0 H ASN A 103 9.204 33.575 26.507 1.00 20.44 H new ATOM 0 HA ASN A 103 10.294 36.074 27.047 1.00 24.28 H new ATOM 0 HB2 ASN A 103 8.531 35.422 24.929 1.00 20.64 H new ATOM 0 HB3 ASN A 103 8.936 36.882 25.299 1.00 20.64 H new ATOM 0 HD21 ASN A 103 12.008 36.823 23.893 1.00 41.69 H new ATOM 0 HD22 ASN A 103 11.232 37.511 24.963 1.00 41.69 H new ATOM 790 N LYS A 104 8.497 36.232 28.865 1.00 10.31 N ATOM 791 CA LYS A 104 7.322 36.308 29.732 1.00 4.00 C ATOM 792 C LYS A 104 7.257 37.611 30.446 1.00 1.11 C ATOM 793 O LYS A 104 8.216 38.415 30.293 1.00 13.56 O ATOM 794 CB LYS A 104 7.513 35.198 30.905 1.00 12.13 C ATOM 795 CG LYS A 104 6.909 33.896 30.191 1.00 29.17 C ATOM 796 CD LYS A 104 6.173 33.015 31.211 1.00 13.39 C ATOM 797 CE LYS A 104 7.204 31.980 31.721 1.00 43.92 C ATOM 798 NZ LYS A 104 6.711 31.214 32.843 1.00 36.82 N ATOM 0 H LYS A 104 9.216 36.594 29.168 1.00 10.31 H new ATOM 0 HA LYS A 104 6.532 36.180 29.184 1.00 4.00 H new ATOM 0 HB2 LYS A 104 8.443 35.082 31.154 1.00 12.13 H new ATOM 0 HB3 LYS A 104 7.030 35.431 31.713 1.00 12.13 H new ATOM 0 HG2 LYS A 104 6.299 34.161 29.485 1.00 29.17 H new ATOM 0 HG3 LYS A 104 7.623 33.389 29.773 1.00 29.17 H new ATOM 0 HD2 LYS A 104 5.828 33.549 31.944 1.00 13.39 H new ATOM 0 HD3 LYS A 104 5.413 32.573 30.801 1.00 13.39 H new ATOM 0 HE2 LYS A 104 7.436 31.376 30.998 1.00 43.92 H new ATOM 0 HE3 LYS A 104 8.018 32.439 31.980 1.00 43.92 H new ATOM 0 HZ1 LYS A 104 7.334 30.633 33.103 1.00 36.82 H new ATOM 0 HZ2 LYS A 104 6.519 31.763 33.516 1.00 36.82 H new ATOM 0 HZ3 LYS A 104 5.977 30.773 32.602 1.00 36.82 H new ATOM 799 N HIS A 105 6.204 37.879 31.109 1.00 9.02 N ATOM 800 CA HIS A 105 6.032 39.066 31.976 1.00 12.96 C ATOM 801 C HIS A 105 6.754 38.606 33.302 1.00 20.34 C ATOM 802 O HIS A 105 6.585 37.457 33.659 1.00 15.89 O ATOM 803 CB HIS A 105 4.602 39.411 32.282 1.00 23.07 C ATOM 804 CG HIS A 105 3.849 39.909 31.058 1.00 10.62 C ATOM 805 ND1 HIS A 105 3.684 41.173 30.599 1.00 40.60 N flip ATOM 806 CD2 HIS A 105 3.200 39.028 30.191 1.00 33.49 C flip ATOM 807 CE1 HIS A 105 2.946 41.058 29.426 1.00 18.69 C flip ATOM 808 NE2 HIS A 105 2.628 39.794 29.273 1.00 31.77 N flip ATOM 0 H HIS A 105 5.509 37.373 31.093 1.00 9.02 H new ATOM 0 HA HIS A 105 6.382 39.865 31.552 1.00 12.96 H new ATOM 0 HB2 HIS A 105 4.153 38.629 32.638 1.00 23.07 H new ATOM 0 HB3 HIS A 105 4.577 40.092 32.973 1.00 23.07 H new ATOM 0 HD1 HIS A 105 3.976 41.897 30.959 1.00 40.60 H new ATOM 0 HD2 HIS A 105 3.174 38.100 30.246 1.00 33.49 H new ATOM 0 HE1 HIS A 105 2.718 41.753 28.852 1.00 18.69 H new ATOM 809 N ILE A 106 7.481 39.526 33.812 1.00 10.12 N ATOM 810 CA ILE A 106 8.264 39.411 35.036 1.00 14.58 C ATOM 811 C ILE A 106 7.513 40.292 36.107 1.00 5.58 C ATOM 812 O ILE A 106 7.013 41.326 35.852 1.00 11.36 O ATOM 813 CB ILE A 106 9.678 39.794 34.985 1.00 4.75 C ATOM 814 CG1 ILE A 106 9.938 41.249 34.730 1.00 14.49 C ATOM 815 CG2 ILE A 106 10.414 39.066 33.863 1.00 4.30 C ATOM 816 CD1 ILE A 106 11.259 41.977 34.985 1.00 14.01 C ATOM 0 H ILE A 106 7.554 40.301 33.447 1.00 10.12 H new ATOM 0 HA ILE A 106 8.315 38.464 35.242 1.00 14.58 H new ATOM 0 HB ILE A 106 9.993 39.558 35.871 1.00 4.75 H new ATOM 0 HG12 ILE A 106 9.735 41.393 33.792 1.00 14.49 H new ATOM 0 HG13 ILE A 106 9.269 41.730 35.242 1.00 14.49 H new ATOM 0 HG21 ILE A 106 11.345 39.340 33.855 1.00 4.30 H new ATOM 0 HG22 ILE A 106 10.360 38.108 34.009 1.00 4.30 H new ATOM 0 HG23 ILE A 106 10.005 39.286 33.011 1.00 4.30 H new ATOM 0 HD11 ILE A 106 11.167 42.911 34.738 1.00 14.01 H new ATOM 0 HD12 ILE A 106 11.488 41.913 35.925 1.00 14.01 H new ATOM 0 HD13 ILE A 106 11.961 41.570 34.453 1.00 14.01 H new ATOM 817 N ILE A 107 7.506 39.679 37.331 1.00 11.71 N ATOM 818 CA ILE A 107 6.907 40.292 38.504 1.00 13.91 C ATOM 819 C ILE A 107 8.056 40.445 39.524 1.00 1.92 C ATOM 820 O ILE A 107 8.844 39.564 39.932 1.00 5.48 O ATOM 821 CB ILE A 107 5.763 39.526 39.065 1.00 12.42 C ATOM 822 CG1 ILE A 107 4.660 39.296 37.994 1.00 3.71 C ATOM 823 CG2 ILE A 107 5.133 40.253 40.238 1.00 4.55 C ATOM 824 CD1 ILE A 107 3.363 38.913 38.759 1.00 6.43 C ATOM 0 H ILE A 107 7.851 38.905 37.477 1.00 11.71 H new ATOM 0 HA ILE A 107 6.512 41.146 38.269 1.00 13.91 H new ATOM 0 HB ILE A 107 6.121 38.674 39.360 1.00 12.42 H new ATOM 0 HG12 ILE A 107 4.523 40.097 37.464 1.00 3.71 H new ATOM 0 HG13 ILE A 107 4.918 38.591 37.380 1.00 3.71 H new ATOM 0 HG21 ILE A 107 4.392 39.731 40.582 1.00 4.55 H new ATOM 0 HG22 ILE A 107 5.795 40.374 40.937 1.00 4.55 H new ATOM 0 HG23 ILE A 107 4.809 41.120 39.946 1.00 4.55 H new ATOM 0 HD11 ILE A 107 2.646 38.760 38.124 1.00 6.43 H new ATOM 0 HD12 ILE A 107 3.517 38.105 39.273 1.00 6.43 H new ATOM 0 HD13 ILE A 107 3.115 39.635 39.358 1.00 6.43 H new ATOM 825 N VAL A 108 8.266 41.747 39.932 1.00 6.86 N ATOM 826 CA VAL A 108 9.370 42.053 40.901 1.00 12.00 C ATOM 827 C VAL A 108 8.831 42.781 42.073 1.00 12.58 C ATOM 828 O VAL A 108 7.738 43.317 41.971 1.00 6.05 O ATOM 829 CB VAL A 108 10.514 42.858 40.238 1.00 9.43 C ATOM 830 CG1 VAL A 108 11.265 42.130 39.167 1.00 9.93 C ATOM 831 CG2 VAL A 108 10.092 44.198 39.626 1.00 6.57 C ATOM 0 H VAL A 108 7.805 42.425 39.673 1.00 6.86 H new ATOM 0 HA VAL A 108 9.747 41.209 41.196 1.00 12.00 H new ATOM 0 HB VAL A 108 11.088 43.006 41.006 1.00 9.43 H new ATOM 0 HG11 VAL A 108 11.959 42.706 38.809 1.00 9.93 H new ATOM 0 HG12 VAL A 108 11.669 41.331 39.541 1.00 9.93 H new ATOM 0 HG13 VAL A 108 10.654 41.880 38.456 1.00 9.93 H new ATOM 0 HG21 VAL A 108 10.866 44.633 39.235 1.00 6.57 H new ATOM 0 HG22 VAL A 108 9.426 44.044 38.938 1.00 6.57 H new ATOM 0 HG23 VAL A 108 9.717 44.766 40.317 1.00 6.57 H new ATOM 832 N ALA A 109 9.570 42.781 43.144 1.00 8.57 N ATOM 833 CA ALA A 109 9.274 43.509 44.419 1.00 9.51 C ATOM 834 C ALA A 109 10.201 44.773 44.368 1.00 3.51 C ATOM 835 O ALA A 109 11.313 44.543 44.011 1.00 6.52 O ATOM 836 CB ALA A 109 9.526 42.666 45.592 1.00 3.12 C ATOM 0 H ALA A 109 10.308 42.341 43.183 1.00 8.57 H new ATOM 0 HA ALA A 109 8.340 43.757 44.501 1.00 9.51 H new ATOM 0 HB1 ALA A 109 9.325 43.166 46.399 1.00 3.12 H new ATOM 0 HB2 ALA A 109 8.962 41.878 45.551 1.00 3.12 H new ATOM 0 HB3 ALA A 109 10.458 42.396 45.603 1.00 3.12 H new ATOM 837 N CYS A 110 9.622 45.922 44.674 1.00 13.54 N ATOM 838 CA CYS A 110 10.474 47.147 44.572 1.00 8.63 C ATOM 839 C CYS A 110 10.572 47.798 45.949 1.00 9.97 C ATOM 840 O CYS A 110 9.535 47.760 46.663 1.00 15.05 O ATOM 841 CB CYS A 110 10.009 48.143 43.501 1.00 15.62 C ATOM 842 SG CYS A 110 9.805 47.300 41.869 1.00 8.65 S ATOM 0 H CYS A 110 8.807 46.035 44.925 1.00 13.54 H new ATOM 0 HA CYS A 110 11.354 46.868 44.275 1.00 8.63 H new ATOM 0 HB2 CYS A 110 9.168 48.545 43.770 1.00 15.62 H new ATOM 0 HB3 CYS A 110 10.654 48.863 43.420 1.00 15.62 H new ATOM 843 N GLU A 111 11.772 48.335 46.204 1.00 9.88 N ATOM 844 CA GLU A 111 11.962 49.062 47.479 1.00 14.72 C ATOM 845 C GLU A 111 12.997 50.135 47.275 1.00 12.13 C ATOM 846 O GLU A 111 13.838 50.020 46.306 1.00 9.34 O ATOM 847 CB GLU A 111 12.640 48.066 48.448 1.00 4.33 C ATOM 848 CG GLU A 111 11.710 46.956 49.009 1.00 14.33 C ATOM 849 CD GLU A 111 12.434 46.113 50.029 1.00 65.86 C ATOM 850 OE1 GLU A 111 13.587 46.649 50.335 1.00 57.96 O ATOM 851 OE2 GLU A 111 12.051 45.041 50.488 1.00 16.51 O ATOM 0 H GLU A 111 12.458 48.297 45.687 1.00 9.88 H new ATOM 0 HA GLU A 111 11.117 49.420 47.793 1.00 14.72 H new ATOM 0 HB2 GLU A 111 13.383 47.644 47.989 1.00 4.33 H new ATOM 0 HB3 GLU A 111 13.012 48.564 49.193 1.00 4.33 H new ATOM 0 HG2 GLU A 111 10.927 47.359 49.414 1.00 14.33 H new ATOM 0 HG3 GLU A 111 11.396 46.394 48.283 1.00 14.33 H new ATOM 852 N GLY A 112 13.022 51.092 48.193 1.00 22.24 N ATOM 853 CA GLY A 112 13.949 52.203 48.244 1.00 25.72 C ATOM 854 C GLY A 112 13.710 53.467 47.530 1.00 10.10 C ATOM 855 O GLY A 112 12.587 53.811 47.122 1.00 11.02 O ATOM 0 H GLY A 112 12.460 51.107 48.843 1.00 22.24 H new ATOM 0 HA2 GLY A 112 14.058 52.430 49.181 1.00 25.72 H new ATOM 0 HA3 GLY A 112 14.803 51.866 47.932 1.00 25.72 H new ATOM 856 N ASN A 113 14.729 54.271 47.377 1.00 5.63 N ATOM 857 CA ASN A 113 14.794 55.535 46.663 1.00 23.09 C ATOM 858 C ASN A 113 16.256 55.688 46.153 1.00 18.96 C ATOM 859 O ASN A 113 17.117 55.918 47.020 1.00 40.75 O ATOM 860 CB ASN A 113 14.378 56.684 47.530 1.00 32.16 C ATOM 861 CG ASN A 113 14.595 58.024 46.816 1.00 24.70 C ATOM 862 OD1 ASN A 113 15.444 58.829 47.224 1.00 84.91 O ATOM 863 ND2 ASN A 113 13.826 58.254 45.745 1.00 48.65 N ATOM 0 H ASN A 113 15.491 54.075 47.725 1.00 5.63 H new ATOM 0 HA ASN A 113 14.174 55.540 45.917 1.00 23.09 H new ATOM 0 HB2 ASN A 113 13.443 56.590 47.769 1.00 32.16 H new ATOM 0 HB3 ASN A 113 14.885 56.669 48.357 1.00 32.16 H new ATOM 0 HD21 ASN A 113 13.909 58.989 45.306 1.00 48.65 H new ATOM 0 HD22 ASN A 113 13.249 57.667 45.496 1.00 48.65 H new ATOM 864 N PRO A 114 16.461 55.497 44.878 1.00 26.29 N ATOM 865 CA PRO A 114 15.570 55.190 43.807 1.00 18.54 C ATOM 866 C PRO A 114 14.854 53.888 44.164 1.00 27.74 C ATOM 867 O PRO A 114 15.397 53.007 44.776 1.00 12.38 O ATOM 868 CB PRO A 114 16.353 55.267 42.532 1.00 19.51 C ATOM 869 CG PRO A 114 17.810 55.612 42.838 1.00 37.65 C ATOM 870 CD PRO A 114 17.893 55.612 44.368 1.00 5.96 C ATOM 0 HA PRO A 114 14.844 55.817 43.664 1.00 18.54 H new ATOM 0 HB2 PRO A 114 16.305 54.420 42.062 1.00 19.51 H new ATOM 0 HB3 PRO A 114 15.969 55.939 41.947 1.00 19.51 H new ATOM 0 HG2 PRO A 114 18.416 54.960 42.452 1.00 37.65 H new ATOM 0 HG3 PRO A 114 18.052 56.477 42.471 1.00 37.65 H new ATOM 0 HD2 PRO A 114 18.433 54.871 44.685 1.00 5.96 H new ATOM 0 HD3 PRO A 114 18.311 56.426 44.691 1.00 5.96 H new ATOM 871 N TYR A 115 13.625 53.773 43.705 1.00 7.93 N ATOM 872 CA TYR A 115 12.651 52.701 43.909 1.00 12.20 C ATOM 873 C TYR A 115 13.023 51.705 42.787 1.00 25.19 C ATOM 874 O TYR A 115 12.664 52.088 41.665 1.00 13.62 O ATOM 875 CB TYR A 115 11.284 53.237 43.807 1.00 22.68 C ATOM 876 CG TYR A 115 10.141 52.318 44.266 1.00 23.12 C ATOM 877 CD1 TYR A 115 10.149 51.782 45.541 1.00 4.43 C ATOM 878 CD2 TYR A 115 9.097 52.011 43.399 1.00 18.81 C ATOM 879 CE1 TYR A 115 9.113 50.977 45.949 1.00 13.91 C ATOM 880 CE2 TYR A 115 8.092 51.245 43.807 1.00 7.19 C ATOM 881 CZ TYR A 115 8.023 50.709 45.133 1.00 9.04 C ATOM 882 OH TYR A 115 6.988 49.943 45.439 1.00 21.36 O ATOM 0 H TYR A 115 13.295 54.391 43.206 1.00 7.93 H new ATOM 0 HA TYR A 115 12.672 52.278 44.782 1.00 12.20 H new ATOM 0 HB2 TYR A 115 11.241 54.055 44.327 1.00 22.68 H new ATOM 0 HB3 TYR A 115 11.123 53.480 42.882 1.00 22.68 H new ATOM 0 HD1 TYR A 115 10.853 51.966 46.120 1.00 4.43 H new ATOM 0 HD2 TYR A 115 9.103 52.344 42.530 1.00 18.81 H new ATOM 0 HE1 TYR A 115 9.143 50.600 46.799 1.00 13.91 H new ATOM 0 HE2 TYR A 115 7.407 51.049 43.209 1.00 7.19 H new ATOM 0 HH TYR A 115 6.418 49.983 44.824 1.00 21.36 H new ATOM 883 N VAL A 116 13.659 50.633 43.195 1.00 18.05 N ATOM 884 CA VAL A 116 14.090 49.713 42.175 1.00 7.93 C ATOM 885 C VAL A 116 13.738 48.296 42.532 1.00 3.20 C ATOM 886 O VAL A 116 13.412 47.990 43.705 1.00 3.21 O ATOM 887 CB VAL A 116 15.521 49.981 41.869 1.00 10.89 C ATOM 888 CG1 VAL A 116 15.813 51.322 41.207 1.00 13.90 C ATOM 889 CG2 VAL A 116 16.380 49.828 43.144 1.00 29.49 C ATOM 0 H VAL A 116 13.844 50.425 44.009 1.00 18.05 H new ATOM 0 HA VAL A 116 13.609 49.852 41.344 1.00 7.93 H new ATOM 0 HB VAL A 116 15.759 49.314 41.207 1.00 10.89 H new ATOM 0 HG11 VAL A 116 16.766 51.404 41.048 1.00 13.90 H new ATOM 0 HG12 VAL A 116 15.339 51.376 40.362 1.00 13.90 H new ATOM 0 HG13 VAL A 116 15.520 52.041 41.788 1.00 13.90 H new ATOM 0 HG21 VAL A 116 17.310 50.005 42.931 1.00 29.49 H new ATOM 0 HG22 VAL A 116 16.077 50.458 43.816 1.00 29.49 H new ATOM 0 HG23 VAL A 116 16.294 48.924 43.486 1.00 29.49 H new ATOM 890 N PRO A 117 13.926 47.377 41.614 1.00 28.08 N ATOM 891 CA PRO A 117 13.743 45.960 41.818 1.00 7.33 C ATOM 892 C PRO A 117 14.709 45.309 42.838 1.00 8.70 C ATOM 893 O PRO A 117 15.972 45.424 42.685 1.00 7.76 O ATOM 894 CB PRO A 117 13.979 45.271 40.442 1.00 0.66 C ATOM 895 CG PRO A 117 13.984 46.458 39.422 1.00 1.87 C ATOM 896 CD PRO A 117 14.375 47.722 40.136 1.00 0.50 C ATOM 0 HA PRO A 117 12.851 45.843 42.180 1.00 7.33 H new ATOM 0 HB2 PRO A 117 14.819 44.786 40.427 1.00 0.66 H new ATOM 0 HB3 PRO A 117 13.278 44.632 40.240 1.00 0.66 H new ATOM 0 HG2 PRO A 117 14.606 46.276 38.700 1.00 1.87 H new ATOM 0 HG3 PRO A 117 13.106 46.558 39.022 1.00 1.87 H new ATOM 0 HD2 PRO A 117 15.326 47.901 40.073 1.00 0.50 H new ATOM 0 HD3 PRO A 117 13.916 48.501 39.784 1.00 0.50 H new ATOM 897 N VAL A 118 14.217 44.696 43.858 1.00 12.99 N ATOM 898 CA VAL A 118 14.986 44.045 44.929 1.00 11.88 C ATOM 899 C VAL A 118 14.758 42.513 44.980 1.00 22.05 C ATOM 900 O VAL A 118 15.575 41.785 45.592 1.00 11.72 O ATOM 901 CB VAL A 118 14.811 44.696 46.306 1.00 8.36 C ATOM 902 CG1 VAL A 118 15.692 45.960 46.408 1.00 7.47 C ATOM 903 CG2 VAL A 118 13.379 44.926 46.816 1.00 10.05 C ATOM 0 H VAL A 118 13.368 44.628 43.978 1.00 12.99 H new ATOM 0 HA VAL A 118 15.915 44.189 44.689 1.00 11.88 H new ATOM 0 HB VAL A 118 15.118 44.019 46.929 1.00 8.36 H new ATOM 0 HG11 VAL A 118 15.576 46.366 47.281 1.00 7.47 H new ATOM 0 HG12 VAL A 118 16.623 45.716 46.286 1.00 7.47 H new ATOM 0 HG13 VAL A 118 15.431 46.593 45.721 1.00 7.47 H new ATOM 0 HG21 VAL A 118 13.410 45.341 47.692 1.00 10.05 H new ATOM 0 HG22 VAL A 118 12.905 45.507 46.200 1.00 10.05 H new ATOM 0 HG23 VAL A 118 12.917 44.075 46.878 1.00 10.05 H new ATOM 904 N HIS A 119 13.652 42.053 44.419 1.00 11.37 N ATOM 905 CA HIS A 119 13.256 40.636 44.419 1.00 0.50 C ATOM 906 C HIS A 119 12.565 40.215 43.093 1.00 5.24 C ATOM 907 O HIS A 119 11.716 41.019 42.685 1.00 12.50 O ATOM 908 CB HIS A 119 12.353 40.406 45.592 1.00 0.50 C ATOM 909 CG HIS A 119 11.562 39.181 45.694 1.00 29.66 C ATOM 910 ND1 HIS A 119 12.139 37.955 45.796 1.00 15.12 N ATOM 911 CD2 HIS A 119 10.209 39.028 45.643 1.00 26.23 C ATOM 912 CE1 HIS A 119 11.151 37.074 45.847 1.00 25.86 C ATOM 913 NE2 HIS A 119 9.950 37.687 45.796 1.00 30.44 N ATOM 0 H HIS A 119 13.090 42.563 44.015 1.00 11.37 H new ATOM 0 HA HIS A 119 14.052 40.086 44.491 1.00 0.50 H new ATOM 0 HB2 HIS A 119 12.902 40.459 46.390 1.00 0.50 H new ATOM 0 HB3 HIS A 119 11.732 41.151 45.625 1.00 0.50 H new ATOM 0 HD2 HIS A 119 9.580 39.703 45.527 1.00 26.23 H new ATOM 0 HE1 HIS A 119 11.270 36.154 45.910 1.00 25.86 H new ATOM 0 HE2 HIS A 119 9.177 37.313 45.849 1.00 30.44 H new ATOM 914 N PHE A 120 12.947 39.066 42.634 1.00 8.00 N ATOM 915 CA PHE A 120 12.240 38.453 41.462 1.00 8.68 C ATOM 916 C PHE A 120 11.157 37.572 42.022 1.00 11.90 C ATOM 917 O PHE A 120 11.488 36.576 42.634 1.00 10.75 O ATOM 918 CB PHE A 120 13.323 37.611 40.697 1.00 4.03 C ATOM 919 CG PHE A 120 12.616 37.113 39.422 1.00 20.44 C ATOM 920 CD1 PHE A 120 11.796 36.040 39.422 1.00 31.10 C ATOM 921 CD2 PHE A 120 12.684 37.994 38.300 1.00 21.26 C ATOM 922 CE1 PHE A 120 11.149 35.657 38.249 1.00 5.41 C ATOM 923 CE2 PHE A 120 12.098 37.611 37.127 1.00 9.18 C ATOM 924 CZ PHE A 120 11.262 36.500 37.076 1.00 9.99 C ATOM 0 H PHE A 120 13.597 38.602 42.953 1.00 8.00 H new ATOM 0 HA PHE A 120 11.841 39.099 40.858 1.00 8.68 H new ATOM 0 HB2 PHE A 120 14.099 38.151 40.480 1.00 4.03 H new ATOM 0 HB3 PHE A 120 13.637 36.869 41.237 1.00 4.03 H new ATOM 0 HD1 PHE A 120 11.663 35.557 40.205 1.00 31.10 H new ATOM 0 HD2 PHE A 120 13.119 38.813 38.367 1.00 21.26 H new ATOM 0 HE1 PHE A 120 10.652 34.872 38.219 1.00 5.41 H new ATOM 0 HE2 PHE A 120 12.260 38.099 36.352 1.00 9.18 H new ATOM 0 HZ PHE A 120 10.784 36.302 36.303 1.00 9.99 H new ATOM 925 N ASP A 121 9.851 37.802 41.818 1.00 4.98 N ATOM 926 CA ASP A 121 8.769 37.113 42.379 1.00 7.80 C ATOM 927 C ASP A 121 8.226 35.925 41.563 1.00 17.81 C ATOM 928 O ASP A 121 8.102 34.815 42.073 1.00 13.56 O ATOM 929 CB ASP A 121 7.612 38.108 42.685 1.00 3.21 C ATOM 930 CG ASP A 121 6.633 37.534 43.705 1.00 15.14 C ATOM 931 OD1 ASP A 121 7.037 36.998 44.776 1.00 17.77 O ATOM 932 OD2 ASP A 121 5.449 37.572 43.399 1.00 9.33 O ATOM 0 H ASP A 121 9.589 38.431 41.293 1.00 4.98 H new ATOM 0 HA ASP A 121 9.126 36.716 43.189 1.00 7.80 H new ATOM 0 HB2 ASP A 121 7.980 38.940 43.021 1.00 3.21 H new ATOM 0 HB3 ASP A 121 7.139 38.318 41.864 1.00 3.21 H new ATOM 933 N ALA A 122 8.021 36.193 40.340 1.00 10.17 N ATOM 934 CA ALA A 122 7.464 35.159 39.371 1.00 6.14 C ATOM 935 C ALA A 122 7.533 35.619 37.943 1.00 19.10 C ATOM 936 O ALA A 122 7.777 36.768 37.739 1.00 7.98 O ATOM 937 CB ALA A 122 6.002 35.044 39.779 1.00 12.61 C ATOM 0 H ALA A 122 8.180 36.960 39.985 1.00 10.17 H new ATOM 0 HA ALA A 122 7.964 34.329 39.413 1.00 6.14 H new ATOM 0 HB1 ALA A 122 5.557 34.398 39.209 1.00 12.61 H new ATOM 0 HB2 ALA A 122 5.946 34.753 40.703 1.00 12.61 H new ATOM 0 HB3 ALA A 122 5.571 35.908 39.686 1.00 12.61 H new ATOM 938 N SER A 123 7.234 34.700 37.025 1.00 8.64 N ATOM 939 CA SER A 123 7.228 35.159 35.546 1.00 5.96 C ATOM 940 C SER A 123 5.816 34.623 35.189 1.00 22.71 C ATOM 941 O SER A 123 5.449 33.512 35.597 1.00 15.47 O ATOM 942 CB SER A 123 8.342 34.853 34.679 1.00 8.72 C ATOM 943 OG SER A 123 8.465 33.436 34.475 1.00 23.23 O ATOM 0 H SER A 123 7.043 33.875 37.173 1.00 8.64 H new ATOM 0 HA SER A 123 7.378 36.107 35.407 1.00 5.96 H new ATOM 0 HB2 SER A 123 8.222 35.296 33.825 1.00 8.72 H new ATOM 0 HB3 SER A 123 9.161 35.199 35.066 1.00 8.72 H new ATOM 0 HG SER A 123 9.242 33.257 34.211 1.00 23.23 H new ATOM 944 N VAL A 124 5.121 35.504 34.475 1.00 16.60 N ATOM 945 CA VAL A 124 3.755 35.198 34.067 1.00 16.89 C ATOM 946 C VAL A 124 3.536 35.389 32.588 1.00 8.49 C ATOM 947 O VAL A 124 2.961 34.317 32.078 1.00 25.68 O ATOM 948 CB VAL A 124 2.777 36.002 34.985 1.00 34.77 C ATOM 949 CG1 VAL A 124 2.557 35.351 36.311 1.00 7.47 C ATOM 950 CG2 VAL A 124 3.308 37.381 35.240 1.00 16.33 C ATOM 951 OXT VAL A 124 4.330 36.079 31.874 1.00 13.34 O ATOM 0 H VAL A 124 5.416 36.271 34.221 1.00 16.60 H new ATOM 0 HA VAL A 124 3.571 34.254 34.194 1.00 16.89 H new ATOM 0 HB VAL A 124 1.933 36.033 34.508 1.00 34.77 H new ATOM 0 HG11 VAL A 124 1.945 35.889 36.838 1.00 7.47 H new ATOM 0 HG12 VAL A 124 2.179 34.467 36.179 1.00 7.47 H new ATOM 0 HG13 VAL A 124 3.404 35.273 36.778 1.00 7.47 H new ATOM 0 HG21 VAL A 124 2.690 37.865 35.810 1.00 16.33 H new ATOM 0 HG22 VAL A 124 4.171 37.320 35.678 1.00 16.33 H new ATOM 0 HG23 VAL A 124 3.406 37.851 34.397 1.00 16.33 H new TER 952 VAL A 124 CONECT 194 642 CONECT 310 727 CONECT 446 842 CONECT 496 547 CONECT 547 496 CONECT 642 194 CONECT 727 310 CONECT 842 446 END