USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE (NUCLEIC ACID,RNA) 13-AUG-91 6RAT 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,S.K.BURLEY REVDAT 4 02-MAR-11 6RAT 1 AUTHOR JRNL REVDAT 3 24-FEB-09 6RAT 1 VERSN REVDAT 2 01-APR-03 6RAT 1 JRNL REVDAT 1 15-JUL-93 6RAT 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 : 14779 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) : 0.152 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 951 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 0 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.026 ; 0.030 REMARK 3 ANGLE DISTANCE (A) : 0.035 ; 0.040 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.046 ; 0.050 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.018 ; 0.025 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.150 ; 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) : 4.100 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 14.500; 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 6RAT 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 (%): 42.43 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.14 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 19.11000 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 9 CD GLU A 9 OE1 0.073 REMARK 500 HIS A 12 CG HIS A 12 CD2 0.072 REMARK 500 GLU A 111 CD GLU A 111 OE2 -0.086 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 ASP A 14 CB - CG - OD2 ANGL. DEV. = -7.5 DEGREES REMARK 500 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 6.9 DEGREES REMARK 500 PRO A 42 C - N - CA ANGL. DEV. = 9.7 DEGREES REMARK 500 TYR A 73 CB - CG - CD1 ANGL. DEV. = -4.5 DEGREES REMARK 500 GLU A 86 OE1 - CD - OE2 ANGL. DEV. = 14.0 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 GLN A 60 -139.67 -101.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 85 0.15 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 6RAT 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 2.03 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.07 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.14 CISPEP 1 TYR A 92 PRO A 93 0 1.56 CISPEP 2 ASN A 113 PRO A 114 0 1.55 CRYST1 30.150 38.220 53.020 90.00 106.45 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 0.033167 0.000000 0.009793 0.00000 SCALE2 0.000000 0.026164 0.000000 0.00000 SCALE3 0.000000 0.000000 0.019666 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 THR OG1 : rot -103:sc= 0.552 USER MOD Set 1.2: A 25 TYR OH : rot -1:sc= 1.27 USER MOD Set 1.3: A 29 MET CE :methyl -140:sc= -0.316 (180deg=-1.56!) USER MOD Set 1.4: A 48 HIS : +bothHN:sc= 1.41 K(o=7.3,f=-4.3!) USER MOD Set 1.5: A 80 SER OG : rot 174:sc= 1.55 USER MOD Set 1.6: A 82 THR OG1 : rot -43:sc= 1.67 USER MOD Set 1.7: A 101 GLN : amide:sc= 1.13 K(o=7.3,f=1.4!) USER MOD Set 2.1: A 91 LYS NZ :NH3+ -163:sc= 0.279 (180deg=0.169) USER MOD Set 2.2: A 94 ASN :FLIP amide:sc= -0.431 F(o=-8!,f=-0.15) USER MOD Set 3.1: A 73 TYR OH : rot 16:sc= 0.603 USER MOD Set 3.2: A 115 TYR OH : rot 30:sc= 0.543 USER MOD Set 4.1: A 67 ASN : amide:sc= 0.332 K(o=1.9,f=-3.3!) USER MOD Set 4.2: A 69 GLN : amide:sc= 0.229 K(o=1.9,f=-2.1) USER MOD Set 4.3: A 71 ASN : amide:sc= 1.32 K(o=1.9,f=-5.7!) USER MOD Set 5.1: A 12 HIS : no HE2:sc= 0.756 K(o=1.9,f=-2.5!) USER MOD Set 5.2: A 41 LYS NZ :NH3+ -156:sc= 0.176 (180deg=0) USER MOD Set 5.3: A 44 ASN : amide:sc= 0.952 K(o=1.9,f=-3) USER MOD Set 6.1: A 30 MET CE :methyl 142:sc= -0.0491 (180deg=-0.244) USER MOD Set 6.2: A 97 TYR OH : rot -13:sc= 1.27 USER MOD Set 7.1: A 24 ASN : amide:sc= 0.172 K(o=1.2,f=-2.2) USER MOD Set 7.2: A 27 ASN : amide:sc= 1.05 K(o=1.2,f=-6.1!) USER MOD Single : A 1 LYS N :NH3+ -115:sc= 0.248 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -163:sc= -0.0187 (180deg=-0.111) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 13 MET CE :methyl -155:sc= -0.278 (180deg=-1.08) USER MOD Single : A 15 SER OG : rot -49:sc= 1.35 USER MOD Single : A 16 SER OG : rot -52:sc= 1.27 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.759 X(o=-0.76,f=-0.49) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc=-0.00915 X(o=-0.0092,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -91:sc= 1.02 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0371 USER MOD Single : A 55 GLN :FLIP amide:sc= -3.52! C(o=-4.6!,f=-3.5!) USER MOD Single : A 59 SER OG : rot -18:sc= 0.166 USER MOD Single : A 60 GLN : amide:sc= 0.0663 K(o=0.066,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.188 (180deg=-0.377) USER MOD Single : A 62 ASN : amide:sc= 0.914 K(o=0.91,f=-0.00046) 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=-0.018) USER MOD Single : A 75 SER OG : rot 97:sc= 1.57 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -121:sc= 1.53 USER MOD Single : A 92 TYR OH : rot -19:sc= 1.28 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 126:sc= 0.806 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS :FLIP no HE2:sc= -0.0496 F(o=-1.6,f=-0.05) USER MOD Single : A 113 ASN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 1.17 K(o=1.2,f=-4.9!) USER MOD Single : A 123 SER OG : rot 180:sc= -0.289 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 28.017 45.470 53.077 1.00 15.26 N ATOM 2 CA LYS A 1 27.805 44.171 52.365 1.00 13.21 C ATOM 3 C LYS A 1 27.005 44.476 51.094 1.00 10.54 C ATOM 4 O LYS A 1 26.598 45.623 50.942 1.00 13.31 O ATOM 5 CB LYS A 1 27.143 43.139 53.280 1.00 15.77 C ATOM 6 CG LYS A 1 25.697 43.445 53.687 1.00 31.96 C ATOM 7 CD LYS A 1 25.066 42.375 54.602 1.00 46.44 C ATOM 8 CE LYS A 1 24.342 41.305 53.789 1.00 40.61 C ATOM 9 NZ LYS A 1 23.075 41.840 53.179 1.00 45.71 N ATOM 0 H1 LYS A 1 28.886 45.663 53.091 1.00 15.26 H new ATOM 0 H2 LYS A 1 27.577 46.117 52.653 1.00 15.26 H new ATOM 0 H3 LYS A 1 27.715 45.404 53.912 1.00 15.26 H new ATOM 0 HA LYS A 1 28.648 43.764 52.111 1.00 13.21 H new ATOM 0 HB2 LYS A 1 27.161 42.277 52.835 1.00 15.77 H new ATOM 0 HB3 LYS A 1 27.678 43.054 54.085 1.00 15.77 H new ATOM 0 HG2 LYS A 1 25.672 44.302 54.141 1.00 31.96 H new ATOM 0 HG3 LYS A 1 25.157 43.533 52.886 1.00 31.96 H new ATOM 0 HD2 LYS A 1 25.757 41.961 55.143 1.00 46.44 H new ATOM 0 HD3 LYS A 1 24.442 42.797 55.213 1.00 46.44 H new ATOM 0 HE2 LYS A 1 24.927 40.978 53.088 1.00 40.61 H new ATOM 0 HE3 LYS A 1 24.134 40.549 54.360 1.00 40.61 H new ATOM 0 HZ1 LYS A 1 22.557 41.162 52.927 1.00 45.71 H new ATOM 0 HZ2 LYS A 1 22.643 42.336 53.778 1.00 45.71 H new ATOM 0 HZ3 LYS A 1 23.275 42.339 52.470 1.00 45.71 H new ATOM 10 N GLU A 2 26.929 43.521 50.230 1.00 7.22 N ATOM 11 CA GLU A 2 26.189 43.750 48.959 1.00 8.37 C ATOM 12 C GLU A 2 24.774 44.209 49.162 1.00 7.66 C ATOM 13 O GLU A 2 24.036 43.636 50.027 1.00 10.18 O ATOM 14 CB GLU A 2 26.143 42.451 48.196 1.00 9.03 C ATOM 15 CG GLU A 2 25.509 42.413 46.773 1.00 8.77 C ATOM 16 CD GLU A 2 25.479 40.961 46.265 1.00 12.99 C ATOM 17 OE1 GLU A 2 25.238 40.006 46.976 1.00 10.38 O ATOM 18 OE2 GLU A 2 25.733 40.885 44.994 1.00 8.67 O ATOM 0 H GLU A 2 27.277 42.740 50.322 1.00 7.22 H new ATOM 0 HA GLU A 2 26.659 44.452 48.482 1.00 8.37 H new ATOM 0 HB2 GLU A 2 27.055 42.130 48.116 1.00 9.03 H new ATOM 0 HB3 GLU A 2 25.664 41.810 48.744 1.00 9.03 H new ATOM 0 HG2 GLU A 2 24.610 42.776 46.799 1.00 8.77 H new ATOM 0 HG3 GLU A 2 26.021 42.968 46.165 1.00 8.77 H new ATOM 19 N THR A 3 24.351 45.202 48.451 1.00 6.35 N ATOM 20 CA THR A 3 22.995 45.737 48.552 1.00 8.17 C ATOM 21 C THR A 3 21.985 44.782 47.891 1.00 9.42 C ATOM 22 O THR A 3 22.316 43.941 47.078 1.00 8.23 O ATOM 23 CB THR A 3 22.904 47.151 47.942 1.00 13.39 C ATOM 24 OG1 THR A 3 23.084 47.037 46.519 1.00 11.06 O ATOM 25 CG2 THR A 3 23.959 48.106 48.451 1.00 10.10 C ATOM 0 H THR A 3 24.841 45.610 47.874 1.00 6.35 H new ATOM 0 HA THR A 3 22.771 45.811 49.493 1.00 8.17 H new ATOM 0 HB THR A 3 22.038 47.508 48.194 1.00 13.39 H new ATOM 0 HG1 THR A 3 23.036 47.799 46.168 1.00 11.06 H new ATOM 0 HG21 THR A 3 23.843 48.971 48.028 1.00 10.10 H new ATOM 0 HG22 THR A 3 23.872 48.202 49.412 1.00 10.10 H new ATOM 0 HG23 THR A 3 24.840 47.758 48.240 1.00 10.10 H new ATOM 26 N ALA A 4 20.720 44.973 48.298 1.00 8.58 N ATOM 27 CA ALA A 4 19.635 44.133 47.688 1.00 8.12 C ATOM 28 C ALA A 4 19.603 44.400 46.163 1.00 10.08 C ATOM 29 O ALA A 4 19.376 43.483 45.400 1.00 7.86 O ATOM 30 CB ALA A 4 18.325 44.438 48.349 1.00 9.62 C ATOM 0 H ALA A 4 20.466 45.544 48.889 1.00 8.58 H new ATOM 0 HA ALA A 4 19.809 43.189 47.827 1.00 8.12 H new ATOM 0 HB1 ALA A 4 17.627 43.893 47.952 1.00 9.62 H new ATOM 0 HB2 ALA A 4 18.387 44.242 49.297 1.00 9.62 H new ATOM 0 HB3 ALA A 4 18.111 45.376 48.226 1.00 9.62 H new ATOM 31 N ALA A 5 19.768 45.661 45.807 1.00 5.92 N ATOM 32 CA ALA A 5 19.677 46.043 44.383 1.00 8.09 C ATOM 33 C ALA A 5 20.851 45.355 43.570 1.00 7.59 C ATOM 34 O ALA A 5 20.594 44.820 42.502 1.00 7.64 O ATOM 35 CB ALA A 5 19.752 47.533 44.231 1.00 7.57 C ATOM 0 H ALA A 5 19.930 46.308 46.350 1.00 5.92 H new ATOM 0 HA ALA A 5 18.824 45.742 44.033 1.00 8.09 H new ATOM 0 HB1 ALA A 5 19.691 47.766 43.291 1.00 7.57 H new ATOM 0 HB2 ALA A 5 19.019 47.945 44.714 1.00 7.57 H new ATOM 0 HB3 ALA A 5 20.595 47.853 44.589 1.00 7.57 H new ATOM 36 N ALA A 6 22.042 45.393 44.129 1.00 6.20 N ATOM 37 CA ALA A 6 23.201 44.782 43.468 1.00 6.67 C ATOM 38 C ALA A 6 22.990 43.254 43.367 1.00 11.80 C ATOM 39 O ALA A 6 23.365 42.604 42.401 1.00 6.80 O ATOM 40 CB ALA A 6 24.467 45.164 44.180 1.00 6.80 C ATOM 0 H ALA A 6 22.212 45.763 44.887 1.00 6.20 H new ATOM 0 HA ALA A 6 23.289 45.117 42.562 1.00 6.67 H new ATOM 0 HB1 ALA A 6 25.225 44.755 43.734 1.00 6.80 H new ATOM 0 HB2 ALA A 6 24.567 46.129 44.167 1.00 6.80 H new ATOM 0 HB3 ALA A 6 24.427 44.856 45.099 1.00 6.80 H new ATOM 41 N LYS A 7 22.479 42.681 44.485 1.00 5.49 N ATOM 42 CA LYS A 7 22.193 41.229 44.536 1.00 7.21 C ATOM 43 C LYS A 7 21.227 40.846 43.417 1.00 8.14 C ATOM 44 O LYS A 7 21.392 39.815 42.757 1.00 6.88 O ATOM 45 CB LYS A 7 21.637 40.846 45.909 1.00 6.11 C ATOM 46 CG LYS A 7 21.486 39.318 45.909 1.00 11.72 C ATOM 47 CD LYS A 7 21.156 38.860 47.332 1.00 19.59 C ATOM 48 CE LYS A 7 20.629 37.408 47.383 1.00 31.49 C ATOM 49 NZ LYS A 7 20.691 36.911 48.807 1.00 34.87 N ATOM 0 H LYS A 7 22.296 43.109 45.208 1.00 5.49 H new ATOM 0 HA LYS A 7 23.018 40.736 44.402 1.00 7.21 H new ATOM 0 HB2 LYS A 7 22.236 41.134 46.616 1.00 6.11 H new ATOM 0 HB3 LYS A 7 20.783 41.277 46.068 1.00 6.11 H new ATOM 0 HG2 LYS A 7 20.783 39.049 45.297 1.00 11.72 H new ATOM 0 HG3 LYS A 7 22.305 38.899 45.602 1.00 11.72 H new ATOM 0 HD2 LYS A 7 21.951 38.931 47.883 1.00 19.59 H new ATOM 0 HD3 LYS A 7 20.492 39.455 47.714 1.00 19.59 H new ATOM 0 HE2 LYS A 7 19.717 37.371 47.055 1.00 31.49 H new ATOM 0 HE3 LYS A 7 21.161 36.838 46.806 1.00 31.49 H new ATOM 0 HZ1 LYS A 7 20.389 36.075 48.843 1.00 34.87 H new ATOM 0 HZ2 LYS A 7 21.533 36.934 49.093 1.00 34.87 H new ATOM 0 HZ3 LYS A 7 20.188 37.431 49.325 1.00 34.87 H new ATOM 50 N PHE A 8 20.233 41.649 43.214 1.00 5.60 N ATOM 51 CA PHE A 8 19.222 41.420 42.146 1.00 5.09 C ATOM 52 C PHE A 8 19.959 41.420 40.774 1.00 7.14 C ATOM 53 O PHE A 8 19.657 40.541 39.960 1.00 7.87 O ATOM 54 CB PHE A 8 18.092 42.413 42.197 1.00 6.23 C ATOM 55 CG PHE A 8 17.082 42.184 41.130 1.00 4.01 C ATOM 56 CD1 PHE A 8 17.307 42.719 39.859 1.00 7.30 C ATOM 57 CD2 PHE A 8 15.937 41.420 41.333 1.00 6.26 C ATOM 58 CE1 PHE A 8 16.402 42.528 38.842 1.00 7.18 C ATOM 59 CE2 PHE A 8 15.002 41.229 40.316 1.00 8.99 C ATOM 60 CZ PHE A 8 15.287 41.764 39.045 1.00 6.68 C ATOM 0 H PHE A 8 20.095 42.359 43.679 1.00 5.60 H new ATOM 0 HA PHE A 8 18.797 40.559 42.283 1.00 5.09 H new ATOM 0 HB2 PHE A 8 17.659 42.362 43.064 1.00 6.23 H new ATOM 0 HB3 PHE A 8 18.450 43.310 42.112 1.00 6.23 H new ATOM 0 HD1 PHE A 8 18.080 43.211 39.699 1.00 7.30 H new ATOM 0 HD2 PHE A 8 15.792 41.029 42.164 1.00 6.26 H new ATOM 0 HE1 PHE A 8 16.549 42.921 38.012 1.00 7.18 H new ATOM 0 HE2 PHE A 8 14.213 40.762 40.473 1.00 8.99 H new ATOM 0 HZ PHE A 8 14.710 41.596 38.335 1.00 6.68 H new ATOM 61 N GLU A 9 20.802 42.375 40.570 1.00 5.93 N ATOM 62 CA GLU A 9 21.569 42.413 39.299 1.00 6.61 C ATOM 63 C GLU A 9 22.398 41.152 39.147 1.00 7.24 C ATOM 64 O GLU A 9 22.442 40.541 38.079 1.00 8.80 O ATOM 65 CB GLU A 9 22.488 43.636 39.249 1.00 10.61 C ATOM 66 CG GLU A 9 21.690 44.935 39.096 1.00 9.43 C ATOM 67 CD GLU A 9 22.608 46.119 38.842 1.00 17.80 C ATOM 68 OE1 GLU A 9 23.647 45.814 38.079 1.00 13.36 O ATOM 69 OE2 GLU A 9 22.398 47.189 39.350 1.00 18.16 O ATOM 0 H GLU A 9 20.967 43.014 41.121 1.00 5.93 H new ATOM 0 HA GLU A 9 20.933 42.471 38.569 1.00 6.61 H new ATOM 0 HB2 GLU A 9 23.020 43.676 40.059 1.00 10.61 H new ATOM 0 HB3 GLU A 9 23.107 43.546 38.508 1.00 10.61 H new ATOM 0 HG2 GLU A 9 21.062 44.847 38.362 1.00 9.43 H new ATOM 0 HG3 GLU A 9 21.169 45.093 39.898 1.00 9.43 H new ATOM 70 N ARG A 10 23.077 40.770 40.215 1.00 4.02 N ATOM 71 CA ARG A 10 23.966 39.586 40.164 1.00 5.50 C ATOM 72 C ARG A 10 23.182 38.286 39.960 1.00 5.44 C ATOM 73 O ARG A 10 23.618 37.408 39.198 1.00 7.02 O ATOM 74 CB ARG A 10 24.750 39.433 41.486 1.00 5.53 C ATOM 75 CG ARG A 10 25.700 38.248 41.536 1.00 4.76 C ATOM 76 CD ARG A 10 26.650 38.325 42.706 1.00 6.81 C ATOM 77 NE ARG A 10 25.943 38.363 43.977 1.00 8.06 N ATOM 78 CZ ARG A 10 25.432 37.331 44.587 1.00 12.77 C ATOM 79 NH1 ARG A 10 25.491 36.070 44.078 1.00 12.57 N ATOM 80 NH2 ARG A 10 24.815 37.484 45.756 1.00 8.66 N ATOM 0 H ARG A 10 23.048 41.167 40.977 1.00 4.02 H new ATOM 0 HA ARG A 10 24.564 39.733 39.415 1.00 5.50 H new ATOM 0 HB2 ARG A 10 25.258 40.245 41.641 1.00 5.53 H new ATOM 0 HB3 ARG A 10 24.115 39.353 42.215 1.00 5.53 H new ATOM 0 HG2 ARG A 10 25.187 37.427 41.592 1.00 4.76 H new ATOM 0 HG3 ARG A 10 26.209 38.209 40.711 1.00 4.76 H new ATOM 0 HD2 ARG A 10 27.245 37.559 42.690 1.00 6.81 H new ATOM 0 HD3 ARG A 10 27.204 39.117 42.621 1.00 6.81 H new ATOM 0 HE ARG A 10 25.855 39.129 44.357 1.00 8.06 H new ATOM 0 HH11 ARG A 10 25.878 35.929 43.323 1.00 12.57 H new ATOM 0 HH12 ARG A 10 25.141 35.415 44.511 1.00 12.57 H new ATOM 0 HH21 ARG A 10 24.753 38.265 46.110 1.00 8.66 H new ATOM 0 HH22 ARG A 10 24.478 36.802 46.157 1.00 8.66 H new ATOM 81 N GLN A 11 22.038 38.134 40.672 1.00 6.76 N ATOM 82 CA GLN A 11 21.284 36.911 40.469 1.00 5.50 C ATOM 83 C GLN A 11 20.409 36.873 39.249 1.00 5.35 C ATOM 84 O GLN A 11 20.077 35.726 38.842 1.00 9.25 O ATOM 85 CB GLN A 11 20.367 36.643 41.740 1.00 6.67 C ATOM 86 CG GLN A 11 21.182 36.567 42.960 1.00 10.01 C ATOM 87 CD GLN A 11 20.309 36.032 44.078 1.00 17.75 C ATOM 88 OE1 GLN A 11 20.807 35.000 44.739 1.00 19.32 O flip ATOM 89 NE2 GLN A 11 19.225 36.529 44.383 1.00 17.05 N flip ATOM 0 H GLN A 11 21.713 38.696 41.236 1.00 6.76 H new ATOM 0 HA GLN A 11 21.958 36.227 40.335 1.00 5.50 H new ATOM 0 HB2 GLN A 11 19.711 37.352 41.827 1.00 6.67 H new ATOM 0 HB3 GLN A 11 19.875 35.815 41.621 1.00 6.67 H new ATOM 0 HG2 GLN A 11 21.947 35.987 42.821 1.00 10.01 H new ATOM 0 HG3 GLN A 11 21.529 37.443 43.191 1.00 10.01 H new ATOM 0 HE21 GLN A 11 18.920 37.200 43.940 1.00 17.05 H new ATOM 0 HE22 GLN A 11 18.773 36.205 45.039 1.00 17.05 H new ATOM 90 N HIS A 12 19.927 38.019 38.740 1.00 5.62 N ATOM 91 CA HIS A 12 18.901 37.981 37.723 1.00 5.00 C ATOM 92 C HIS A 12 19.126 38.707 36.452 1.00 5.55 C ATOM 93 O HIS A 12 18.146 38.554 35.588 1.00 8.06 O ATOM 94 CB HIS A 12 17.561 38.477 38.384 1.00 6.49 C ATOM 95 CG HIS A 12 17.156 37.637 39.554 1.00 7.67 C ATOM 96 ND1 HIS A 12 16.779 36.338 39.401 1.00 6.37 N ATOM 97 CD2 HIS A 12 17.082 38.019 40.926 1.00 7.93 C ATOM 98 CE1 HIS A 12 16.449 35.879 40.621 1.00 8.82 C ATOM 99 NE2 HIS A 12 16.630 36.873 41.536 1.00 7.48 N ATOM 0 H HIS A 12 20.183 38.806 38.973 1.00 5.62 H new ATOM 0 HA HIS A 12 18.889 37.057 37.428 1.00 5.00 H new ATOM 0 HB2 HIS A 12 17.667 39.397 38.671 1.00 6.49 H new ATOM 0 HB3 HIS A 12 16.853 38.466 37.721 1.00 6.49 H new ATOM 0 HD1 HIS A 12 16.756 35.895 38.664 1.00 6.37 H new ATOM 0 HD2 HIS A 12 17.288 38.840 41.312 1.00 7.93 H new ATOM 0 HE1 HIS A 12 16.146 35.020 40.810 1.00 8.82 H new ATOM 100 N MET A 13 20.150 39.471 36.351 1.00 5.59 N ATOM 101 CA MET A 13 20.315 40.273 35.080 1.00 6.97 C ATOM 102 C MET A 13 21.383 39.700 34.215 1.00 4.70 C ATOM 103 O MET A 13 22.453 39.395 34.673 1.00 7.31 O ATOM 104 CB MET A 13 20.661 41.764 35.436 1.00 5.99 C ATOM 105 CG MET A 13 19.547 42.566 36.046 1.00 6.67 C ATOM 106 SD MET A 13 18.070 42.642 35.029 1.00 9.11 S ATOM 107 CE MET A 13 18.836 43.254 33.453 1.00 12.84 C ATOM 0 H MET A 13 20.762 39.573 36.946 1.00 5.59 H new ATOM 0 HA MET A 13 19.479 40.239 34.589 1.00 6.97 H new ATOM 0 HB2 MET A 13 21.412 41.766 36.050 1.00 5.99 H new ATOM 0 HB3 MET A 13 20.954 42.212 34.627 1.00 5.99 H new ATOM 0 HG2 MET A 13 19.318 42.183 36.907 1.00 6.67 H new ATOM 0 HG3 MET A 13 19.862 43.468 36.212 1.00 6.67 H new ATOM 0 HE1 MET A 13 18.166 43.718 32.926 1.00 12.84 H new ATOM 0 HE2 MET A 13 19.562 43.863 33.661 1.00 12.84 H new ATOM 0 HE3 MET A 13 19.180 42.502 32.947 1.00 12.84 H new ATOM 108 N ASP A 14 20.990 39.586 32.894 1.00 7.30 N ATOM 109 CA ASP A 14 22.029 39.165 31.928 1.00 8.60 C ATOM 110 C ASP A 14 21.801 40.044 30.657 1.00 9.00 C ATOM 111 O ASP A 14 21.183 39.547 29.691 1.00 7.53 O ATOM 112 CB ASP A 14 22.058 37.675 31.623 1.00 6.70 C ATOM 113 CG ASP A 14 23.293 37.446 30.606 1.00 8.02 C ATOM 114 OD1 ASP A 14 24.061 38.363 30.453 1.00 9.50 O ATOM 115 OD2 ASP A 14 23.277 36.299 30.148 1.00 10.83 O ATOM 0 H ASP A 14 20.204 39.735 32.578 1.00 7.30 H new ATOM 0 HA ASP A 14 22.909 39.305 32.312 1.00 8.60 H new ATOM 0 HB2 ASP A 14 22.177 37.158 32.435 1.00 6.70 H new ATOM 0 HB3 ASP A 14 21.222 37.387 31.223 1.00 6.70 H new ATOM 116 N SER A 15 22.299 41.267 30.707 1.00 7.34 N ATOM 117 CA SER A 15 22.117 42.184 29.589 1.00 6.56 C ATOM 118 C SER A 15 23.064 41.878 28.420 1.00 9.91 C ATOM 119 O SER A 15 22.958 42.528 27.352 1.00 12.64 O ATOM 120 CB SER A 15 22.403 43.636 30.047 1.00 8.74 C ATOM 121 OG SER A 15 21.380 43.941 31.063 1.00 19.86 O ATOM 0 H SER A 15 22.742 41.587 31.371 1.00 7.34 H new ATOM 0 HA SER A 15 21.200 42.076 29.291 1.00 6.56 H new ATOM 0 HB2 SER A 15 23.296 43.715 30.417 1.00 8.74 H new ATOM 0 HB3 SER A 15 22.349 44.254 29.301 1.00 8.74 H new ATOM 0 HG SER A 15 20.621 43.736 30.767 1.00 19.86 H new ATOM 122 N SER A 16 24.014 41.038 28.674 1.00 8.42 N ATOM 123 CA SER A 16 25.067 40.655 27.759 1.00 9.27 C ATOM 124 C SER A 16 24.690 39.662 26.691 1.00 11.11 C ATOM 125 O SER A 16 25.517 39.509 25.725 1.00 11.96 O ATOM 126 CB SER A 16 26.319 40.197 28.521 1.00 13.32 C ATOM 127 OG SER A 16 26.153 38.821 28.877 1.00 26.18 O ATOM 0 H SER A 16 24.078 40.641 29.434 1.00 8.42 H new ATOM 0 HA SER A 16 25.258 41.468 27.266 1.00 9.27 H new ATOM 0 HB2 SER A 16 27.109 40.310 27.970 1.00 13.32 H new ATOM 0 HB3 SER A 16 26.447 40.738 29.316 1.00 13.32 H new ATOM 0 HG SER A 16 25.417 38.720 29.269 1.00 26.18 H new ATOM 128 N THR A 17 23.605 39.012 26.793 1.00 7.83 N ATOM 129 CA THR A 17 23.107 38.057 25.827 1.00 7.14 C ATOM 130 C THR A 17 21.615 38.325 25.674 1.00 10.39 C ATOM 131 O THR A 17 20.893 38.783 26.589 1.00 8.84 O ATOM 132 CB THR A 17 23.424 36.605 26.284 1.00 11.20 C ATOM 133 OG1 THR A 17 22.611 36.338 27.403 1.00 10.07 O ATOM 134 CG2 THR A 17 24.900 36.414 26.589 1.00 10.46 C ATOM 0 H THR A 17 23.080 39.104 27.468 1.00 7.83 H new ATOM 0 HA THR A 17 23.539 38.155 24.964 1.00 7.14 H new ATOM 0 HB THR A 17 23.230 35.976 25.571 1.00 11.20 H new ATOM 0 HG1 THR A 17 23.071 36.394 28.104 1.00 10.07 H new ATOM 0 HG21 THR A 17 25.057 35.499 26.870 1.00 10.46 H new ATOM 0 HG22 THR A 17 25.422 36.602 25.793 1.00 10.46 H new ATOM 0 HG23 THR A 17 25.165 37.019 27.299 1.00 10.46 H new ATOM 135 N SER A 18 21.102 37.981 24.454 1.00 8.04 N ATOM 136 CA SER A 18 19.670 38.172 24.200 1.00 8.83 C ATOM 137 C SER A 18 18.827 36.987 24.607 1.00 6.46 C ATOM 138 O SER A 18 17.592 37.140 24.708 1.00 10.77 O ATOM 139 CB SER A 18 19.383 38.516 22.726 1.00 21.03 C ATOM 140 OG SER A 18 19.834 37.446 21.912 1.00 34.95 O ATOM 0 H SER A 18 21.554 37.653 23.801 1.00 8.04 H new ATOM 0 HA SER A 18 19.418 38.924 24.759 1.00 8.83 H new ATOM 0 HB2 SER A 18 18.433 38.662 22.594 1.00 21.03 H new ATOM 0 HB3 SER A 18 19.833 39.339 22.479 1.00 21.03 H new ATOM 0 HG SER A 18 19.681 37.623 21.105 1.00 34.95 H new ATOM 141 N ALA A 19 19.520 35.879 24.810 1.00 9.30 N ATOM 142 CA ALA A 19 18.843 34.618 25.166 1.00 10.32 C ATOM 143 C ALA A 19 19.943 33.625 25.522 1.00 12.60 C ATOM 144 O ALA A 19 21.118 33.854 25.318 1.00 11.07 O ATOM 145 CB ALA A 19 18.013 34.083 23.997 1.00 9.40 C ATOM 0 H ALA A 19 20.376 35.824 24.750 1.00 9.30 H new ATOM 0 HA ALA A 19 18.231 34.758 25.906 1.00 10.32 H new ATOM 0 HB1 ALA A 19 17.580 33.255 24.259 1.00 9.40 H new ATOM 0 HB2 ALA A 19 17.339 34.736 23.753 1.00 9.40 H new ATOM 0 HB3 ALA A 19 18.593 33.918 23.237 1.00 9.40 H new ATOM 146 N ALA A 20 19.476 32.479 26.081 1.00 7.94 N ATOM 147 CA ALA A 20 20.456 31.409 26.437 1.00 8.22 C ATOM 148 C ALA A 20 20.922 30.835 25.064 1.00 7.30 C ATOM 149 O ALA A 20 20.017 30.606 24.251 1.00 14.87 O ATOM 150 CB ALA A 20 19.719 30.453 27.301 1.00 7.99 C ATOM 0 H ALA A 20 18.651 32.306 26.254 1.00 7.94 H new ATOM 0 HA ALA A 20 21.244 31.682 26.932 1.00 8.22 H new ATOM 0 HB1 ALA A 20 20.311 29.731 27.564 1.00 7.99 H new ATOM 0 HB2 ALA A 20 19.399 30.913 28.093 1.00 7.99 H new ATOM 0 HB3 ALA A 20 18.965 30.089 26.811 1.00 7.99 H new ATOM 151 N SER A 21 22.172 30.606 24.912 1.00 9.88 N ATOM 152 CA SER A 21 22.622 30.071 23.590 1.00 17.07 C ATOM 153 C SER A 21 22.818 28.581 23.539 1.00 23.51 C ATOM 154 O SER A 21 23.118 28.008 22.421 1.00 15.32 O ATOM 155 CB SER A 21 23.933 30.835 23.234 1.00 15.19 C ATOM 156 OG SER A 21 24.958 30.377 24.047 1.00 21.10 O ATOM 0 H SER A 21 22.785 30.731 25.502 1.00 9.88 H new ATOM 0 HA SER A 21 21.919 30.221 22.938 1.00 17.07 H new ATOM 0 HB2 SER A 21 24.158 30.697 22.301 1.00 15.19 H new ATOM 0 HB3 SER A 21 23.809 31.789 23.357 1.00 15.19 H new ATOM 0 HG SER A 21 25.668 30.784 23.859 1.00 21.10 H new ATOM 157 N SER A 22 22.729 27.932 24.657 1.00 10.73 N ATOM 158 CA SER A 22 22.925 26.480 24.708 1.00 9.48 C ATOM 159 C SER A 22 22.354 25.945 26.030 1.00 15.94 C ATOM 160 O SER A 22 22.038 26.747 26.894 1.00 9.60 O ATOM 161 CB SER A 22 24.386 26.136 24.556 1.00 10.37 C ATOM 162 OG SER A 22 25.065 26.365 25.827 1.00 13.42 O ATOM 0 H SER A 22 22.555 28.297 25.416 1.00 10.73 H new ATOM 0 HA SER A 22 22.455 26.059 23.971 1.00 9.48 H new ATOM 0 HB2 SER A 22 24.485 25.210 24.286 1.00 10.37 H new ATOM 0 HB3 SER A 22 24.787 26.679 23.860 1.00 10.37 H new ATOM 0 HG SER A 22 25.879 26.174 25.748 1.00 13.42 H new ATOM 163 N SER A 23 22.233 24.645 26.030 1.00 10.38 N ATOM 164 CA SER A 23 21.662 23.996 27.250 1.00 7.93 C ATOM 165 C SER A 23 22.582 24.225 28.420 1.00 10.30 C ATOM 166 O SER A 23 21.996 24.111 29.589 1.00 12.85 O ATOM 167 CB SER A 23 21.376 22.506 26.996 1.00 8.92 C ATOM 168 OG SER A 23 22.626 21.856 26.844 1.00 13.04 O ATOM 0 H SER A 23 22.453 24.118 25.387 1.00 10.38 H new ATOM 0 HA SER A 23 20.808 24.401 27.466 1.00 7.93 H new ATOM 0 HB2 SER A 23 20.879 22.122 27.735 1.00 8.92 H new ATOM 0 HB3 SER A 23 20.833 22.393 26.200 1.00 8.92 H new ATOM 0 HG SER A 23 22.501 21.037 26.705 1.00 13.04 H new ATOM 169 N ASN A 24 23.802 24.569 28.267 1.00 9.36 N ATOM 170 CA ASN A 24 24.708 24.836 29.386 1.00 10.86 C ATOM 171 C ASN A 24 24.648 26.250 29.996 1.00 6.64 C ATOM 172 O ASN A 24 25.417 26.480 30.962 1.00 9.33 O ATOM 173 CB ASN A 24 26.199 24.493 29.030 1.00 12.72 C ATOM 174 CG ASN A 24 26.320 23.041 29.538 1.00 36.97 C ATOM 175 OD1 ASN A 24 26.411 22.811 30.758 1.00 36.61 O ATOM 176 ND2 ASN A 24 26.213 22.162 28.572 1.00 40.34 N ATOM 0 H ASN A 24 24.169 24.666 27.495 1.00 9.36 H new ATOM 0 HA ASN A 24 24.371 24.239 30.073 1.00 10.86 H new ATOM 0 HB2 ASN A 24 26.370 24.561 28.078 1.00 12.72 H new ATOM 0 HB3 ASN A 24 26.825 25.087 29.474 1.00 12.72 H new ATOM 0 HD21 ASN A 24 26.200 21.322 28.755 1.00 40.34 H new ATOM 0 HD22 ASN A 24 26.156 22.425 27.755 1.00 40.34 H new ATOM 177 N TYR A 25 23.804 27.091 29.487 1.00 7.08 N ATOM 178 CA TYR A 25 23.714 28.466 29.996 1.00 6.23 C ATOM 179 C TYR A 25 23.565 28.505 31.521 1.00 5.56 C ATOM 180 O TYR A 25 24.349 29.192 32.233 1.00 9.71 O ATOM 181 CB TYR A 25 22.568 29.154 29.284 1.00 7.11 C ATOM 182 CG TYR A 25 22.373 30.606 29.741 1.00 8.00 C ATOM 183 CD1 TYR A 25 23.095 31.676 29.131 1.00 6.61 C ATOM 184 CD2 TYR A 25 21.515 30.874 30.809 1.00 9.58 C ATOM 185 CE1 TYR A 25 22.930 32.975 29.589 1.00 7.32 C ATOM 186 CE2 TYR A 25 21.320 32.173 31.267 1.00 8.39 C ATOM 187 CZ TYR A 25 22.012 33.204 30.657 1.00 8.49 C ATOM 188 OH TYR A 25 21.817 34.465 31.114 1.00 9.15 O ATOM 0 H TYR A 25 23.263 26.908 28.844 1.00 7.08 H new ATOM 0 HA TYR A 25 24.539 28.941 29.810 1.00 6.23 H new ATOM 0 HB2 TYR A 25 22.731 29.139 28.328 1.00 7.11 H new ATOM 0 HB3 TYR A 25 21.750 28.657 29.441 1.00 7.11 H new ATOM 0 HD1 TYR A 25 23.676 31.502 28.426 1.00 6.61 H new ATOM 0 HD2 TYR A 25 21.066 30.172 31.222 1.00 9.58 H new ATOM 0 HE1 TYR A 25 23.406 33.678 29.210 1.00 7.32 H new ATOM 0 HE2 TYR A 25 20.736 32.345 31.970 1.00 8.39 H new ATOM 0 HH TYR A 25 22.310 34.996 30.690 1.00 9.15 H new ATOM 189 N CYS A 26 22.556 27.779 31.978 1.00 4.43 N ATOM 190 CA CYS A 26 22.301 27.779 33.453 1.00 8.43 C ATOM 191 C CYS A 26 23.447 27.244 34.266 1.00 5.84 C ATOM 192 O CYS A 26 23.840 27.893 35.283 1.00 7.13 O ATOM 193 CB CYS A 26 20.991 27.053 33.707 1.00 6.69 C ATOM 194 SG CYS A 26 19.544 27.932 33.199 1.00 7.63 S ATOM 0 H CYS A 26 22.024 27.300 31.501 1.00 4.43 H new ATOM 0 HA CYS A 26 22.224 28.696 33.758 1.00 8.43 H new ATOM 0 HB2 CYS A 26 21.014 26.200 33.246 1.00 6.69 H new ATOM 0 HB3 CYS A 26 20.921 26.861 34.655 1.00 6.69 H new ATOM 195 N ASN A 27 24.004 26.136 33.809 1.00 6.35 N ATOM 196 CA ASN A 27 25.150 25.601 34.622 1.00 6.00 C ATOM 197 C ASN A 27 26.235 26.671 34.724 1.00 11.94 C ATOM 198 O ASN A 27 26.854 26.862 35.791 1.00 11.31 O ATOM 199 CB ASN A 27 25.707 24.340 33.961 1.00 8.68 C ATOM 200 CG ASN A 27 24.743 23.155 34.165 1.00 10.00 C ATOM 201 OD1 ASN A 27 23.855 23.117 35.029 1.00 10.97 O ATOM 202 ND2 ASN A 27 24.907 22.162 33.300 1.00 18.37 N ATOM 0 H ASN A 27 23.781 25.696 33.104 1.00 6.35 H new ATOM 0 HA ASN A 27 24.843 25.373 35.513 1.00 6.00 H new ATOM 0 HB2 ASN A 27 25.840 24.497 33.013 1.00 8.68 H new ATOM 0 HB3 ASN A 27 26.575 24.127 34.338 1.00 8.68 H new ATOM 0 HD21 ASN A 27 24.392 21.474 33.332 1.00 18.37 H new ATOM 0 HD22 ASN A 27 25.529 22.206 32.707 1.00 18.37 H new ATOM 203 N GLN A 28 26.565 27.320 33.605 1.00 7.62 N ATOM 204 CA GLN A 28 27.620 28.314 33.605 1.00 6.55 C ATOM 205 C GLN A 28 27.259 29.575 34.419 1.00 5.89 C ATOM 206 O GLN A 28 28.148 30.033 35.181 1.00 10.16 O ATOM 207 CB GLN A 28 27.934 28.696 32.131 1.00 14.74 C ATOM 208 CG GLN A 28 28.370 27.473 31.368 1.00 33.04 C ATOM 209 CD GLN A 28 28.294 27.549 29.894 1.00 59.95 C ATOM 210 OE1 GLN A 28 27.796 28.505 29.233 1.00 54.32 O ATOM 211 NE2 GLN A 28 28.835 26.518 29.182 1.00 56.39 N ATOM 0 H GLN A 28 26.188 27.195 32.842 1.00 7.62 H new ATOM 0 HA GLN A 28 28.398 27.928 34.036 1.00 6.55 H new ATOM 0 HB2 GLN A 28 27.149 29.084 31.715 1.00 14.74 H new ATOM 0 HB3 GLN A 28 28.631 29.370 32.104 1.00 14.74 H new ATOM 0 HG2 GLN A 28 29.287 27.273 31.614 1.00 33.04 H new ATOM 0 HG3 GLN A 28 27.828 26.724 31.661 1.00 33.04 H new ATOM 0 HE21 GLN A 28 29.184 25.848 29.593 1.00 56.39 H new ATOM 0 HE22 GLN A 28 28.827 26.538 28.322 1.00 56.39 H new ATOM 212 N MET A 29 26.053 30.071 34.215 1.00 7.51 N ATOM 213 CA MET A 29 25.632 31.294 34.927 1.00 9.00 C ATOM 214 C MET A 29 25.438 31.179 36.402 1.00 8.69 C ATOM 215 O MET A 29 25.800 32.058 37.215 1.00 8.28 O ATOM 216 CB MET A 29 24.396 31.867 34.215 1.00 7.88 C ATOM 217 CG MET A 29 24.786 32.287 32.792 1.00 12.18 C ATOM 218 SD MET A 29 25.811 33.816 32.792 1.00 14.64 S ATOM 219 CE MET A 29 24.561 34.924 33.555 1.00 14.31 C ATOM 0 H MET A 29 25.466 29.734 33.684 1.00 7.51 H new ATOM 0 HA MET A 29 26.381 31.909 34.877 1.00 9.00 H new ATOM 0 HB2 MET A 29 23.689 31.204 34.186 1.00 7.88 H new ATOM 0 HB3 MET A 29 24.050 32.629 34.706 1.00 7.88 H new ATOM 0 HG2 MET A 29 25.277 31.568 32.365 1.00 12.18 H new ATOM 0 HG3 MET A 29 23.984 32.434 32.266 1.00 12.18 H new ATOM 0 HE1 MET A 29 24.588 35.791 33.120 1.00 14.31 H new ATOM 0 HE2 MET A 29 23.678 34.537 33.450 1.00 14.31 H new ATOM 0 HE3 MET A 29 24.756 35.031 34.499 1.00 14.31 H new ATOM 220 N MET A 30 24.851 30.033 36.757 1.00 9.76 N ATOM 221 CA MET A 30 24.596 29.766 38.232 1.00 8.38 C ATOM 222 C MET A 30 25.938 29.766 38.893 1.00 6.63 C ATOM 223 O MET A 30 26.075 30.224 40.062 1.00 9.37 O ATOM 224 CB MET A 30 23.798 28.505 38.384 1.00 6.77 C ATOM 225 CG MET A 30 22.366 28.619 37.825 1.00 9.34 C ATOM 226 SD MET A 30 21.313 29.766 38.740 1.00 8.81 S ATOM 227 CE MET A 30 20.983 28.963 40.265 1.00 9.52 C ATOM 0 H MET A 30 24.597 29.415 36.216 1.00 9.76 H new ATOM 0 HA MET A 30 24.054 30.443 38.666 1.00 8.38 H new ATOM 0 HB2 MET A 30 24.259 27.781 37.931 1.00 6.77 H new ATOM 0 HB3 MET A 30 23.754 28.269 39.324 1.00 6.77 H new ATOM 0 HG2 MET A 30 22.411 28.904 36.899 1.00 9.34 H new ATOM 0 HG3 MET A 30 21.955 27.741 37.832 1.00 9.34 H new ATOM 0 HE1 MET A 30 20.980 29.617 40.981 1.00 9.52 H new ATOM 0 HE2 MET A 30 20.117 28.528 40.221 1.00 9.52 H new ATOM 0 HE3 MET A 30 21.669 28.299 40.436 1.00 9.52 H new ATOM 228 N LYS A 31 26.931 29.154 38.283 1.00 7.91 N ATOM 229 CA LYS A 31 28.258 29.040 38.893 1.00 6.33 C ATOM 230 C LYS A 31 28.966 30.377 38.944 1.00 8.20 C ATOM 231 O LYS A 31 29.449 30.912 39.960 1.00 10.91 O ATOM 232 CB LYS A 31 29.131 28.046 38.079 1.00 11.61 C ATOM 233 CG LYS A 31 30.532 28.008 38.639 1.00 15.70 C ATOM 234 CD LYS A 31 30.639 27.206 39.910 1.00 27.71 C ATOM 235 CE LYS A 31 32.026 27.282 40.520 1.00 48.92 C ATOM 236 NZ LYS A 31 31.907 27.091 42.045 1.00 56.76 N ATOM 0 H LYS A 31 26.865 28.791 37.506 1.00 7.91 H new ATOM 0 HA LYS A 31 28.134 28.719 39.800 1.00 6.33 H new ATOM 0 HB2 LYS A 31 28.739 27.159 38.110 1.00 11.61 H new ATOM 0 HB3 LYS A 31 29.155 28.313 37.147 1.00 11.61 H new ATOM 0 HG2 LYS A 31 31.130 27.632 37.974 1.00 15.70 H new ATOM 0 HG3 LYS A 31 30.831 28.915 38.809 1.00 15.70 H new ATOM 0 HD2 LYS A 31 29.987 27.530 40.551 1.00 27.71 H new ATOM 0 HD3 LYS A 31 30.419 26.280 39.726 1.00 27.71 H new ATOM 0 HE2 LYS A 31 32.599 26.598 40.139 1.00 48.92 H new ATOM 0 HE3 LYS A 31 32.435 28.138 40.319 1.00 48.92 H new ATOM 0 HZ1 LYS A 31 32.716 27.134 42.414 1.00 56.76 H new ATOM 0 HZ2 LYS A 31 31.392 27.732 42.385 1.00 56.76 H new ATOM 0 HZ3 LYS A 31 31.544 26.297 42.218 1.00 56.76 H new ATOM 237 N SER A 32 29.040 31.065 37.774 1.00 10.44 N ATOM 238 CA SER A 32 29.718 32.326 37.622 1.00 9.23 C ATOM 239 C SER A 32 29.176 33.472 38.435 1.00 8.72 C ATOM 240 O SER A 32 29.990 34.351 38.842 1.00 12.10 O ATOM 241 CB SER A 32 29.837 32.708 36.097 1.00 12.04 C ATOM 242 OG SER A 32 28.661 33.204 35.588 1.00 19.05 O ATOM 0 H SER A 32 28.681 30.783 37.045 1.00 10.44 H new ATOM 0 HA SER A 32 30.600 32.177 37.998 1.00 9.23 H new ATOM 0 HB2 SER A 32 30.539 33.368 35.985 1.00 12.04 H new ATOM 0 HB3 SER A 32 30.101 31.925 35.590 1.00 12.04 H new ATOM 0 HG SER A 32 28.765 33.396 34.777 1.00 19.05 H new ATOM 243 N ARG A 33 27.881 33.472 38.639 1.00 6.69 N ATOM 244 CA ARG A 33 27.219 34.542 39.452 1.00 7.55 C ATOM 245 C ARG A 33 27.266 34.198 40.926 1.00 11.64 C ATOM 246 O ARG A 33 26.664 34.962 41.740 1.00 8.74 O ATOM 247 CB ARG A 33 25.832 34.809 38.944 1.00 4.97 C ATOM 248 CG ARG A 33 25.771 35.421 37.520 1.00 7.31 C ATOM 249 CD ARG A 33 26.464 36.758 37.520 1.00 7.31 C ATOM 250 NE ARG A 33 26.342 37.408 36.198 1.00 10.39 N ATOM 251 CZ ARG A 33 25.226 37.981 35.791 1.00 9.85 C ATOM 252 NH1 ARG A 33 24.143 38.210 36.503 1.00 9.15 N ATOM 253 NH2 ARG A 33 25.180 38.439 34.520 1.00 9.10 N ATOM 0 H ARG A 33 27.344 32.876 38.329 1.00 6.69 H new ATOM 0 HA ARG A 33 27.710 35.373 39.352 1.00 7.55 H new ATOM 0 HB2 ARG A 33 25.334 33.977 38.947 1.00 4.97 H new ATOM 0 HB3 ARG A 33 25.385 35.410 39.561 1.00 4.97 H new ATOM 0 HG2 ARG A 33 26.195 34.825 36.883 1.00 7.31 H new ATOM 0 HG3 ARG A 33 24.848 35.524 37.241 1.00 7.31 H new ATOM 0 HD2 ARG A 33 26.078 37.328 38.203 1.00 7.31 H new ATOM 0 HD3 ARG A 33 27.401 36.642 37.744 1.00 7.31 H new ATOM 0 HE ARG A 33 27.024 37.413 35.675 1.00 10.39 H new ATOM 0 HH11 ARG A 33 24.115 37.977 37.330 1.00 9.15 H new ATOM 0 HH12 ARG A 33 23.463 38.593 36.141 1.00 9.15 H new ATOM 0 HH21 ARG A 33 25.864 38.352 34.007 1.00 9.10 H new ATOM 0 HH22 ARG A 33 24.466 38.817 34.225 1.00 9.10 H new ATOM 254 N ASN A 34 27.914 33.090 41.282 1.00 10.26 N ATOM 255 CA ASN A 34 28.081 32.631 42.655 1.00 7.76 C ATOM 256 C ASN A 34 26.801 32.173 43.316 1.00 13.24 C ATOM 257 O ASN A 34 26.727 32.211 44.587 1.00 12.00 O ATOM 258 CB ASN A 34 28.850 33.625 43.519 1.00 11.98 C ATOM 259 CG ASN A 34 30.251 33.892 43.062 1.00 26.47 C ATOM 260 OD1 ASN A 34 30.567 35.039 42.604 1.00 35.58 O ATOM 261 ND2 ASN A 34 31.079 32.861 43.112 1.00 30.81 N ATOM 0 H ASN A 34 28.281 32.567 40.707 1.00 10.26 H new ATOM 0 HA ASN A 34 28.630 31.834 42.581 1.00 7.76 H new ATOM 0 HB2 ASN A 34 28.363 34.464 43.538 1.00 11.98 H new ATOM 0 HB3 ASN A 34 28.877 33.291 44.429 1.00 11.98 H new ATOM 0 HD21 ASN A 34 31.885 32.943 42.824 1.00 30.81 H new ATOM 0 HD22 ASN A 34 30.811 32.109 43.432 1.00 30.81 H new ATOM 262 N LEU A 35 25.806 31.714 42.604 1.00 10.63 N ATOM 263 CA LEU A 35 24.586 31.218 43.163 1.00 11.15 C ATOM 264 C LEU A 35 24.723 29.804 43.723 1.00 10.89 C ATOM 265 O LEU A 35 23.774 29.383 44.383 1.00 21.90 O ATOM 266 CB LEU A 35 23.471 31.370 42.146 1.00 9.70 C ATOM 267 CG LEU A 35 23.560 32.822 41.536 1.00 22.99 C ATOM 268 CD1 LEU A 35 22.580 32.975 40.469 1.00 17.12 C ATOM 269 CD2 LEU A 35 23.486 33.892 42.604 1.00 20.51 C ATOM 0 H LEU A 35 25.825 31.682 41.745 1.00 10.63 H new ATOM 0 HA LEU A 35 24.355 31.753 43.938 1.00 11.15 H new ATOM 0 HB2 LEU A 35 23.557 30.703 41.447 1.00 9.70 H new ATOM 0 HB3 LEU A 35 22.608 31.231 42.566 1.00 9.70 H new ATOM 0 HG LEU A 35 24.433 32.944 41.132 1.00 22.99 H new ATOM 0 HD11 LEU A 35 22.641 33.870 40.099 1.00 17.12 H new ATOM 0 HD12 LEU A 35 22.757 32.325 39.771 1.00 17.12 H new ATOM 0 HD13 LEU A 35 21.689 32.833 40.825 1.00 17.12 H new ATOM 0 HD21 LEU A 35 23.544 34.767 42.190 1.00 20.51 H new ATOM 0 HD22 LEU A 35 22.645 33.816 43.081 1.00 20.51 H new ATOM 0 HD23 LEU A 35 24.222 33.780 43.226 1.00 20.51 H new ATOM 270 N THR A 36 25.852 29.154 43.468 1.00 7.78 N ATOM 271 CA THR A 36 26.003 27.740 43.977 1.00 11.23 C ATOM 272 C THR A 36 27.149 27.664 44.994 1.00 14.26 C ATOM 273 O THR A 36 27.617 26.518 45.248 1.00 16.50 O ATOM 274 CB THR A 36 26.228 26.823 42.706 1.00 12.68 C ATOM 275 OG1 THR A 36 27.478 27.206 42.146 1.00 13.19 O ATOM 276 CG2 THR A 36 25.067 26.976 41.740 1.00 13.98 C ATOM 0 H THR A 36 26.522 29.469 43.030 1.00 7.78 H new ATOM 0 HA THR A 36 25.215 27.433 44.453 1.00 11.23 H new ATOM 0 HB THR A 36 26.256 25.880 42.932 1.00 12.68 H new ATOM 0 HG1 THR A 36 27.636 26.739 41.466 1.00 13.19 H new ATOM 0 HG21 THR A 36 25.214 26.411 40.965 1.00 13.98 H new ATOM 0 HG22 THR A 36 24.243 26.714 42.180 1.00 13.98 H new ATOM 0 HG23 THR A 36 25.001 27.901 41.457 1.00 13.98 H new ATOM 277 N LYS A 37 27.557 28.772 45.553 1.00 15.86 N ATOM 278 CA LYS A 37 28.703 28.810 46.468 1.00 20.51 C ATOM 279 C LYS A 37 28.478 28.008 47.739 1.00 10.66 C ATOM 280 O LYS A 37 29.382 27.167 48.044 1.00 14.49 O ATOM 281 CB LYS A 37 29.155 30.262 46.773 1.00 18.62 C ATOM 282 CG LYS A 37 30.361 30.262 47.688 1.00 33.87 C ATOM 283 CD LYS A 37 30.994 31.638 47.891 1.00 29.00 C ATOM 284 CE LYS A 37 31.598 31.753 49.315 1.00 45.22 C ATOM 285 NZ LYS A 37 30.469 32.058 50.281 1.00 44.65 N ATOM 0 H LYS A 37 27.186 29.537 45.422 1.00 15.86 H new ATOM 0 HA LYS A 37 29.432 28.373 46.000 1.00 20.51 H new ATOM 0 HB2 LYS A 37 29.370 30.720 45.945 1.00 18.62 H new ATOM 0 HB3 LYS A 37 28.428 30.752 47.188 1.00 18.62 H new ATOM 0 HG2 LYS A 37 30.099 29.907 48.552 1.00 33.87 H new ATOM 0 HG3 LYS A 37 31.030 29.660 47.325 1.00 33.87 H new ATOM 0 HD2 LYS A 37 31.687 31.783 47.227 1.00 29.00 H new ATOM 0 HD3 LYS A 37 30.327 32.330 47.760 1.00 29.00 H new ATOM 0 HE2 LYS A 37 32.042 30.927 49.563 1.00 45.22 H new ATOM 0 HE3 LYS A 37 32.267 32.454 49.344 1.00 45.22 H new ATOM 0 HZ1 LYS A 37 30.795 32.128 51.106 1.00 44.65 H new ATOM 0 HZ2 LYS A 37 30.079 32.824 50.050 1.00 44.65 H new ATOM 0 HZ3 LYS A 37 29.869 31.401 50.254 1.00 44.65 H new ATOM 286 N ASP A 38 27.379 28.275 48.400 1.00 12.22 N ATOM 287 CA ASP A 38 27.064 27.588 49.671 1.00 9.15 C ATOM 288 C ASP A 38 26.220 26.327 49.467 1.00 13.07 C ATOM 289 O ASP A 38 26.266 25.410 50.332 1.00 12.96 O ATOM 290 CB ASP A 38 26.387 28.581 50.637 1.00 16.46 C ATOM 291 CG ASP A 38 27.352 29.651 51.044 1.00 32.14 C ATOM 292 OD1 ASP A 38 28.527 29.269 51.349 1.00 35.25 O ATOM 293 OD2 ASP A 38 27.035 30.835 50.993 1.00 39.56 O ATOM 0 H ASP A 38 26.790 28.848 48.146 1.00 12.22 H new ATOM 0 HA ASP A 38 27.897 27.283 50.063 1.00 9.15 H new ATOM 0 HB2 ASP A 38 25.613 28.980 50.210 1.00 16.46 H new ATOM 0 HB3 ASP A 38 26.066 28.110 51.422 1.00 16.46 H new ATOM 294 N ARG A 39 25.375 26.327 48.451 1.00 8.57 N ATOM 295 CA ARG A 39 24.426 25.257 48.196 1.00 6.15 C ATOM 296 C ARG A 39 23.912 25.410 46.773 1.00 9.91 C ATOM 297 O ARG A 39 24.198 26.480 46.112 1.00 9.39 O ATOM 298 CB ARG A 39 23.237 25.410 49.162 1.00 11.76 C ATOM 299 CG ARG A 39 22.363 26.632 48.959 1.00 12.08 C ATOM 300 CD ARG A 39 21.355 26.747 50.128 1.00 17.66 C ATOM 301 NE ARG A 39 20.436 27.855 49.874 1.00 20.02 N ATOM 302 CZ ARG A 39 19.335 27.740 49.112 1.00 20.78 C ATOM 303 NH1 ARG A 39 19.063 26.594 48.502 1.00 35.61 N ATOM 304 NH2 ARG A 39 18.506 28.810 48.959 1.00 33.02 N ATOM 0 H ARG A 39 25.335 26.965 47.875 1.00 8.57 H new ATOM 0 HA ARG A 39 24.848 24.392 48.319 1.00 6.15 H new ATOM 0 HB2 ARG A 39 22.679 24.620 49.086 1.00 11.76 H new ATOM 0 HB3 ARG A 39 23.581 25.428 50.069 1.00 11.76 H new ATOM 0 HG2 ARG A 39 22.912 27.430 48.913 1.00 12.08 H new ATOM 0 HG3 ARG A 39 21.888 26.566 48.116 1.00 12.08 H new ATOM 0 HD2 ARG A 39 20.859 25.919 50.223 1.00 17.66 H new ATOM 0 HD3 ARG A 39 21.828 26.892 50.962 1.00 17.66 H new ATOM 0 HE ARG A 39 20.609 28.619 50.230 1.00 20.02 H new ATOM 0 HH11 ARG A 39 19.592 25.922 48.594 1.00 35.61 H new ATOM 0 HH12 ARG A 39 18.358 26.523 48.015 1.00 35.61 H new ATOM 0 HH21 ARG A 39 18.688 29.554 49.349 1.00 33.02 H new ATOM 0 HH22 ARG A 39 17.800 28.741 48.472 1.00 33.02 H new ATOM 305 N CYS A 40 23.219 24.454 46.265 1.00 7.47 N ATOM 306 CA CYS A 40 22.630 24.569 44.892 1.00 8.61 C ATOM 307 C CYS A 40 21.289 25.257 45.044 1.00 6.78 C ATOM 308 O CYS A 40 20.310 24.645 45.502 1.00 10.34 O ATOM 309 CB CYS A 40 22.448 23.232 44.180 1.00 11.66 C ATOM 310 SG CYS A 40 23.879 22.162 44.129 1.00 9.25 S ATOM 0 H CYS A 40 23.053 23.711 46.665 1.00 7.47 H new ATOM 0 HA CYS A 40 23.247 25.072 44.337 1.00 8.61 H new ATOM 0 HB2 CYS A 40 21.724 22.752 44.613 1.00 11.66 H new ATOM 0 HB3 CYS A 40 22.167 23.408 43.269 1.00 11.66 H new ATOM 311 N LYS A 41 21.259 26.518 44.638 1.00 11.59 N ATOM 312 CA LYS A 41 19.963 27.282 44.638 1.00 9.65 C ATOM 313 C LYS A 41 19.103 26.518 43.672 1.00 14.39 C ATOM 314 O LYS A 41 19.569 26.288 42.502 1.00 13.17 O ATOM 315 CB LYS A 41 20.174 28.734 44.231 1.00 12.76 C ATOM 316 CG LYS A 41 18.968 29.613 44.231 1.00 36.42 C ATOM 317 CD LYS A 41 19.164 31.027 43.672 1.00 25.54 C ATOM 318 CE LYS A 41 17.808 31.753 43.672 1.00 29.23 C ATOM 319 NZ LYS A 41 18.003 33.204 43.417 1.00 31.91 N ATOM 0 H LYS A 41 21.943 26.960 44.362 1.00 11.59 H new ATOM 0 HA LYS A 41 19.551 27.342 45.514 1.00 9.65 H new ATOM 0 HB2 LYS A 41 20.832 29.123 44.828 1.00 12.76 H new ATOM 0 HB3 LYS A 41 20.557 28.746 43.340 1.00 12.76 H new ATOM 0 HG2 LYS A 41 18.271 29.175 43.717 1.00 36.42 H new ATOM 0 HG3 LYS A 41 18.644 29.687 45.142 1.00 36.42 H new ATOM 0 HD2 LYS A 41 19.806 31.515 44.211 1.00 25.54 H new ATOM 0 HD3 LYS A 41 19.523 30.985 42.772 1.00 25.54 H new ATOM 0 HE2 LYS A 41 17.230 31.373 42.992 1.00 29.23 H new ATOM 0 HE3 LYS A 41 17.365 31.624 44.525 1.00 29.23 H new ATOM 0 HZ1 LYS A 41 17.315 33.659 43.750 1.00 31.91 H new ATOM 0 HZ2 LYS A 41 18.755 33.476 43.808 1.00 31.91 H new ATOM 0 HZ3 LYS A 41 18.056 33.347 42.540 1.00 31.91 H new ATOM 320 N PRO A 42 17.929 26.097 43.977 1.00 10.13 N ATOM 321 CA PRO A 42 17.039 25.257 43.214 1.00 8.91 C ATOM 322 C PRO A 42 16.495 25.792 41.892 1.00 11.64 C ATOM 323 O PRO A 42 16.344 25.066 40.875 1.00 11.90 O ATOM 324 CB PRO A 42 15.940 24.760 44.180 1.00 15.88 C ATOM 325 CG PRO A 42 15.941 25.792 45.299 1.00 19.29 C ATOM 326 CD PRO A 42 17.358 26.288 45.400 1.00 13.05 C ATOM 0 HA PRO A 42 17.577 24.527 42.870 1.00 8.91 H new ATOM 0 HB2 PRO A 42 15.076 24.712 43.741 1.00 15.88 H new ATOM 0 HB3 PRO A 42 16.137 23.872 44.516 1.00 15.88 H new ATOM 0 HG2 PRO A 42 15.331 26.520 45.101 1.00 19.29 H new ATOM 0 HG3 PRO A 42 15.650 25.398 46.136 1.00 19.29 H new ATOM 0 HD2 PRO A 42 17.389 27.218 45.672 1.00 13.05 H new ATOM 0 HD3 PRO A 42 17.864 25.783 46.056 1.00 13.05 H new ATOM 327 N VAL A 43 16.134 27.053 41.892 1.00 10.63 N ATOM 328 CA VAL A 43 15.545 27.740 40.723 1.00 10.00 C ATOM 329 C VAL A 43 16.072 29.192 40.672 1.00 10.39 C ATOM 330 O VAL A 43 16.269 29.804 41.740 1.00 11.61 O ATOM 331 CB VAL A 43 14.008 27.740 40.825 1.00 12.41 C ATOM 332 CG1 VAL A 43 13.451 26.365 41.079 1.00 15.10 C ATOM 333 CG2 VAL A 43 13.512 28.734 41.892 1.00 17.68 C ATOM 0 H VAL A 43 16.219 27.562 42.580 1.00 10.63 H new ATOM 0 HA VAL A 43 15.799 27.273 39.912 1.00 10.00 H new ATOM 0 HB VAL A 43 13.676 28.031 39.961 1.00 12.41 H new ATOM 0 HG11 VAL A 43 12.484 26.413 41.136 1.00 15.10 H new ATOM 0 HG12 VAL A 43 13.703 25.774 40.352 1.00 15.10 H new ATOM 0 HG13 VAL A 43 13.807 26.021 41.913 1.00 15.10 H new ATOM 0 HG21 VAL A 43 12.543 28.710 41.931 1.00 17.68 H new ATOM 0 HG22 VAL A 43 13.876 28.489 42.757 1.00 17.68 H new ATOM 0 HG23 VAL A 43 13.804 29.630 41.661 1.00 17.68 H new ATOM 334 N ASN A 44 16.221 29.651 39.452 1.00 7.13 N ATOM 335 CA ASN A 44 16.703 31.027 39.249 1.00 8.28 C ATOM 336 C ASN A 44 16.310 31.409 37.825 1.00 10.99 C ATOM 337 O ASN A 44 16.339 30.568 36.910 1.00 15.94 O ATOM 338 CB ASN A 44 18.195 31.179 39.503 1.00 7.03 C ATOM 339 CG ASN A 44 18.542 32.670 39.554 1.00 10.27 C ATOM 340 OD1 ASN A 44 17.985 33.434 40.316 1.00 15.09 O ATOM 341 ND2 ASN A 44 19.475 33.128 38.740 1.00 8.22 N ATOM 0 H ASN A 44 16.058 29.207 38.734 1.00 7.13 H new ATOM 0 HA ASN A 44 16.297 31.627 39.894 1.00 8.28 H new ATOM 0 HB2 ASN A 44 18.438 30.750 40.338 1.00 7.03 H new ATOM 0 HB3 ASN A 44 18.701 30.741 38.801 1.00 7.03 H new ATOM 0 HD21 ASN A 44 19.684 33.962 38.752 1.00 8.22 H new ATOM 0 HD22 ASN A 44 19.873 32.592 38.198 1.00 8.22 H new ATOM 342 N THR A 45 15.948 32.670 37.723 1.00 6.38 N ATOM 343 CA THR A 45 15.586 33.281 36.402 1.00 4.86 C ATOM 344 C THR A 45 16.580 34.427 36.097 1.00 8.63 C ATOM 345 O THR A 45 16.867 35.230 36.961 1.00 7.19 O ATOM 346 CB THR A 45 14.184 33.816 36.351 1.00 8.77 C ATOM 347 OG1 THR A 45 13.296 32.746 36.707 1.00 10.39 O ATOM 348 CG2 THR A 45 13.806 34.351 34.978 1.00 9.67 C ATOM 0 H THR A 45 15.897 33.210 38.390 1.00 6.38 H new ATOM 0 HA THR A 45 15.637 32.576 35.738 1.00 4.86 H new ATOM 0 HB THR A 45 14.118 34.562 36.968 1.00 8.77 H new ATOM 0 HG1 THR A 45 13.055 32.339 36.013 1.00 10.39 H new ATOM 0 HG21 THR A 45 12.895 34.683 34.999 1.00 9.67 H new ATOM 0 HG22 THR A 45 14.407 35.073 34.735 1.00 9.67 H new ATOM 0 HG23 THR A 45 13.875 33.639 34.323 1.00 9.67 H new ATOM 349 N PHE A 46 17.000 34.427 34.876 1.00 7.24 N ATOM 350 CA PHE A 46 17.873 35.497 34.368 1.00 5.31 C ATOM 351 C PHE A 46 17.074 36.261 33.300 1.00 8.63 C ATOM 352 O PHE A 46 16.335 35.650 32.538 1.00 8.24 O ATOM 353 CB PHE A 46 19.153 35.000 33.707 1.00 5.90 C ATOM 354 CG PHE A 46 20.148 34.427 34.724 1.00 4.14 C ATOM 355 CD1 PHE A 46 21.008 35.268 35.385 1.00 6.44 C ATOM 356 CD2 PHE A 46 20.179 33.052 34.927 1.00 6.07 C ATOM 357 CE1 PHE A 46 21.943 34.771 36.300 1.00 11.81 C ATOM 358 CE2 PHE A 46 21.084 32.517 35.842 1.00 8.27 C ATOM 359 CZ PHE A 46 21.958 33.357 36.554 1.00 8.44 C ATOM 0 H PHE A 46 16.803 33.821 34.298 1.00 7.24 H new ATOM 0 HA PHE A 46 18.138 36.037 35.129 1.00 5.31 H new ATOM 0 HB2 PHE A 46 18.933 34.318 33.053 1.00 5.90 H new ATOM 0 HB3 PHE A 46 19.571 35.731 33.225 1.00 5.90 H new ATOM 0 HD1 PHE A 46 20.969 36.183 35.222 1.00 6.44 H new ATOM 0 HD2 PHE A 46 19.602 32.495 34.457 1.00 6.07 H new ATOM 0 HE1 PHE A 46 22.538 35.340 36.732 1.00 11.81 H new ATOM 0 HE2 PHE A 46 21.110 31.598 35.983 1.00 8.27 H new ATOM 0 HZ PHE A 46 22.541 33.000 37.184 1.00 8.44 H new ATOM 360 N VAL A 47 17.164 37.599 33.300 1.00 6.73 N ATOM 361 CA VAL A 47 16.440 38.439 32.385 1.00 3.95 C ATOM 362 C VAL A 47 17.448 39.051 31.419 1.00 4.96 C ATOM 363 O VAL A 47 18.443 39.662 31.826 1.00 8.19 O ATOM 364 CB VAL A 47 15.672 39.547 33.148 1.00 8.53 C ATOM 365 CG1 VAL A 47 14.798 40.426 32.233 1.00 8.16 C ATOM 366 CG2 VAL A 47 14.770 38.936 34.266 1.00 9.02 C ATOM 0 H VAL A 47 17.661 38.036 33.849 1.00 6.73 H new ATOM 0 HA VAL A 47 15.783 37.916 31.899 1.00 3.95 H new ATOM 0 HB VAL A 47 16.357 40.112 33.538 1.00 8.53 H new ATOM 0 HG11 VAL A 47 14.345 41.098 32.766 1.00 8.16 H new ATOM 0 HG12 VAL A 47 15.358 40.862 31.572 1.00 8.16 H new ATOM 0 HG13 VAL A 47 14.140 39.872 31.784 1.00 8.16 H new ATOM 0 HG21 VAL A 47 14.301 39.648 34.728 1.00 9.02 H new ATOM 0 HG22 VAL A 47 14.126 38.330 33.867 1.00 9.02 H new ATOM 0 HG23 VAL A 47 15.322 38.450 34.898 1.00 9.02 H new ATOM 367 N HIS A 48 17.116 38.860 30.097 1.00 8.59 N ATOM 368 CA HIS A 48 18.003 39.356 29.030 1.00 7.39 C ATOM 369 C HIS A 48 17.505 40.655 28.470 1.00 10.30 C ATOM 370 O HIS A 48 16.962 40.694 27.352 1.00 9.34 O ATOM 371 CB HIS A 48 17.987 38.286 27.962 1.00 6.73 C ATOM 372 CG HIS A 48 18.560 36.949 28.369 1.00 5.78 C ATOM 373 ND1 HIS A 48 19.871 36.682 28.318 1.00 7.97 N ATOM 374 CD2 HIS A 48 17.867 35.841 28.776 1.00 11.01 C ATOM 375 CE1 HIS A 48 19.991 35.421 28.725 1.00 9.97 C ATOM 376 NE2 HIS A 48 18.817 34.886 29.030 1.00 8.04 N ATOM 0 H HIS A 48 16.406 38.459 29.824 1.00 8.59 H new ATOM 0 HA HIS A 48 18.897 39.525 29.367 1.00 7.39 H new ATOM 0 HB2 HIS A 48 17.070 38.153 27.674 1.00 6.73 H new ATOM 0 HB3 HIS A 48 18.481 38.611 27.193 1.00 6.73 H new ATOM 0 HD1 HIS A 48 20.502 37.213 28.074 1.00 7.97 H new ATOM 0 HD2 HIS A 48 16.945 35.754 28.862 1.00 11.01 H new ATOM 0 HE1 HIS A 48 20.801 34.969 28.788 1.00 9.97 H new ATOM 0 HE2 HIS A 48 18.678 34.092 29.330 1.00 8.04 H new ATOM 377 N GLU A 49 17.567 41.687 29.284 1.00 7.44 N ATOM 378 CA GLU A 49 17.159 43.024 28.928 1.00 8.63 C ATOM 379 C GLU A 49 18.079 44.018 29.589 1.00 7.27 C ATOM 380 O GLU A 49 18.909 43.712 30.453 1.00 8.81 O ATOM 381 CB GLU A 49 15.714 43.292 29.335 1.00 8.25 C ATOM 382 CG GLU A 49 14.674 42.298 28.877 1.00 6.40 C ATOM 383 CD GLU A 49 14.250 42.298 27.454 1.00 12.69 C ATOM 384 OE1 GLU A 49 14.551 43.407 26.844 1.00 12.62 O ATOM 385 OE2 GLU A 49 13.602 41.420 26.894 1.00 11.19 O ATOM 0 H GLU A 49 17.859 41.625 30.090 1.00 7.44 H new ATOM 0 HA GLU A 49 17.214 43.117 27.964 1.00 8.63 H new ATOM 0 HB2 GLU A 49 15.678 43.340 30.303 1.00 8.25 H new ATOM 0 HB3 GLU A 49 15.464 44.166 28.998 1.00 8.25 H new ATOM 0 HG2 GLU A 49 15.008 41.411 29.082 1.00 6.40 H new ATOM 0 HG3 GLU A 49 13.881 42.435 29.418 1.00 6.40 H new ATOM 386 N SER A 50 17.943 45.279 29.131 1.00 8.24 N ATOM 387 CA SER A 50 18.757 46.349 29.741 1.00 7.22 C ATOM 388 C SER A 50 18.292 46.540 31.216 1.00 6.64 C ATOM 389 O SER A 50 17.117 46.311 31.521 1.00 9.64 O ATOM 390 CB SER A 50 18.666 47.724 29.030 1.00 7.29 C ATOM 391 OG SER A 50 17.310 48.145 29.131 1.00 10.03 O ATOM 0 H SER A 50 17.413 45.526 28.500 1.00 8.24 H new ATOM 0 HA SER A 50 19.680 46.060 29.665 1.00 7.22 H new ATOM 0 HB2 SER A 50 19.259 48.368 29.448 1.00 7.29 H new ATOM 0 HB3 SER A 50 18.936 47.650 28.101 1.00 7.29 H new ATOM 0 HG SER A 50 17.220 48.891 28.757 1.00 10.03 H new ATOM 392 N LEU A 51 19.242 46.998 31.978 1.00 7.37 N ATOM 393 CA LEU A 51 18.972 47.304 33.402 1.00 9.76 C ATOM 394 C LEU A 51 17.857 48.336 33.504 1.00 12.59 C ATOM 395 O LEU A 51 16.879 48.183 34.266 1.00 11.45 O ATOM 396 CB LEU A 51 20.313 47.648 33.961 1.00 17.63 C ATOM 397 CG LEU A 51 20.827 47.266 35.283 1.00 36.12 C ATOM 398 CD1 LEU A 51 22.198 47.915 35.436 1.00 21.02 C ATOM 399 CD2 LEU A 51 19.909 47.724 36.452 1.00 37.13 C ATOM 0 H LEU A 51 20.049 47.146 31.719 1.00 7.37 H new ATOM 0 HA LEU A 51 18.613 46.580 33.938 1.00 9.76 H new ATOM 0 HB2 LEU A 51 20.958 47.306 33.322 1.00 17.63 H new ATOM 0 HB3 LEU A 51 20.368 48.616 33.929 1.00 17.63 H new ATOM 0 HG LEU A 51 20.867 46.298 35.330 1.00 36.12 H new ATOM 0 HD11 LEU A 51 22.571 47.684 36.301 1.00 21.02 H new ATOM 0 HD12 LEU A 51 22.787 47.596 34.735 1.00 21.02 H new ATOM 0 HD13 LEU A 51 22.109 48.879 35.369 1.00 21.02 H new ATOM 0 HD21 LEU A 51 20.297 47.446 37.296 1.00 37.13 H new ATOM 0 HD22 LEU A 51 19.825 48.690 36.438 1.00 37.13 H new ATOM 0 HD23 LEU A 51 19.032 47.322 36.351 1.00 37.13 H new ATOM 400 N ALA A 52 17.917 49.406 32.690 1.00 8.88 N ATOM 401 CA ALA A 52 16.862 50.399 32.690 1.00 7.20 C ATOM 402 C ALA A 52 15.476 49.864 32.385 1.00 6.93 C ATOM 403 O ALA A 52 14.452 50.323 32.995 1.00 8.96 O ATOM 404 CB ALA A 52 17.223 51.507 31.673 1.00 9.91 C ATOM 0 H ALA A 52 18.559 49.562 32.140 1.00 8.88 H new ATOM 0 HA ALA A 52 16.812 50.739 33.597 1.00 7.20 H new ATOM 0 HB1 ALA A 52 16.523 52.179 31.664 1.00 9.91 H new ATOM 0 HB2 ALA A 52 18.063 51.919 31.928 1.00 9.91 H new ATOM 0 HB3 ALA A 52 17.309 51.119 30.788 1.00 9.91 H new ATOM 405 N ASP A 53 15.354 48.909 31.470 1.00 7.61 N ATOM 406 CA ASP A 53 14.043 48.374 31.114 1.00 9.08 C ATOM 407 C ASP A 53 13.442 47.533 32.334 1.00 3.86 C ATOM 408 O ASP A 53 12.267 47.495 32.436 1.00 7.85 O ATOM 409 CB ASP A 53 14.087 47.495 29.843 1.00 8.86 C ATOM 410 CG ASP A 53 14.101 48.297 28.572 1.00 19.43 C ATOM 411 OD1 ASP A 53 14.026 49.558 28.623 1.00 17.55 O ATOM 412 OD2 ASP A 53 14.160 47.610 27.555 1.00 14.77 O ATOM 0 H ASP A 53 16.014 48.558 31.045 1.00 7.61 H new ATOM 0 HA ASP A 53 13.470 49.132 30.922 1.00 9.08 H new ATOM 0 HB2 ASP A 53 14.876 46.932 29.873 1.00 8.86 H new ATOM 0 HB3 ASP A 53 13.318 46.904 29.838 1.00 8.86 H new ATOM 413 N VAL A 54 14.392 46.922 32.995 1.00 6.36 N ATOM 414 CA VAL A 54 13.896 46.081 34.165 1.00 8.41 C ATOM 415 C VAL A 54 13.611 46.998 35.334 1.00 7.55 C ATOM 416 O VAL A 54 12.572 46.769 35.995 1.00 7.54 O ATOM 417 CB VAL A 54 14.860 44.973 34.470 1.00 6.27 C ATOM 418 CG1 VAL A 54 14.425 44.209 35.741 1.00 9.95 C ATOM 419 CG2 VAL A 54 14.995 43.941 33.300 1.00 6.95 C ATOM 0 H VAL A 54 15.238 46.944 32.844 1.00 6.36 H new ATOM 0 HA VAL A 54 13.064 45.634 33.943 1.00 8.41 H new ATOM 0 HB VAL A 54 15.721 45.399 34.602 1.00 6.27 H new ATOM 0 HG11 VAL A 54 15.058 43.497 35.924 1.00 9.95 H new ATOM 0 HG12 VAL A 54 14.400 44.820 36.494 1.00 9.95 H new ATOM 0 HG13 VAL A 54 13.543 43.829 35.605 1.00 9.95 H new ATOM 0 HG21 VAL A 54 15.628 43.249 33.550 1.00 6.95 H new ATOM 0 HG22 VAL A 54 14.131 43.539 33.122 1.00 6.95 H new ATOM 0 HG23 VAL A 54 15.310 44.395 32.503 1.00 6.95 H new ATOM 420 N GLN A 55 14.455 47.992 35.537 1.00 10.36 N ATOM 421 CA GLN A 55 14.155 48.985 36.656 1.00 5.52 C ATOM 422 C GLN A 55 12.844 49.635 36.402 1.00 9.11 C ATOM 423 O GLN A 55 12.107 49.979 37.368 1.00 9.95 O ATOM 424 CB GLN A 55 15.285 50.017 36.707 1.00 5.56 C ATOM 425 CG GLN A 55 16.566 49.406 37.266 1.00 8.72 C ATOM 426 CD GLN A 55 17.771 50.323 37.062 1.00 9.08 C ATOM 427 OE1 GLN A 55 18.841 49.979 37.723 1.00 14.74 O flip ATOM 428 NE2 GLN A 55 17.755 51.316 36.300 1.00 10.05 N flip ATOM 0 H GLN A 55 15.174 48.137 35.089 1.00 10.36 H new ATOM 0 HA GLN A 55 14.104 48.532 37.512 1.00 5.52 H new ATOM 0 HB2 GLN A 55 15.451 50.363 35.816 1.00 5.56 H new ATOM 0 HB3 GLN A 55 15.015 50.769 37.258 1.00 5.56 H new ATOM 0 HG2 GLN A 55 16.452 49.228 38.213 1.00 8.72 H new ATOM 0 HG3 GLN A 55 16.732 48.553 36.835 1.00 8.72 H new ATOM 0 HE21 GLN A 55 17.036 51.521 35.876 1.00 10.05 H new ATOM 0 HE22 GLN A 55 18.463 51.793 36.201 1.00 10.05 H new ATOM 429 N ALA A 56 12.496 49.940 35.131 1.00 7.60 N ATOM 430 CA ALA A 56 11.200 50.590 34.826 1.00 9.21 C ATOM 431 C ALA A 56 9.995 49.788 35.232 1.00 8.08 C ATOM 432 O ALA A 56 8.865 50.323 35.283 1.00 10.03 O ATOM 433 CB ALA A 56 11.108 50.819 33.300 1.00 11.54 C ATOM 0 H ALA A 56 12.988 49.781 34.444 1.00 7.60 H new ATOM 0 HA ALA A 56 11.186 51.414 35.337 1.00 9.21 H new ATOM 0 HB1 ALA A 56 10.263 51.245 33.087 1.00 11.54 H new ATOM 0 HB2 ALA A 56 11.838 51.390 33.014 1.00 11.54 H new ATOM 0 HB3 ALA A 56 11.165 49.967 32.841 1.00 11.54 H new ATOM 434 N VAL A 57 10.161 48.488 35.486 1.00 7.60 N ATOM 435 CA VAL A 57 9.002 47.686 35.842 1.00 8.00 C ATOM 436 C VAL A 57 8.400 48.183 37.164 1.00 7.89 C ATOM 437 O VAL A 57 7.165 47.992 37.368 1.00 7.33 O ATOM 438 CB VAL A 57 9.378 46.196 35.791 1.00 6.33 C ATOM 439 CG1 VAL A 57 8.249 45.317 36.351 1.00 7.75 C ATOM 440 CG2 VAL A 57 9.768 45.737 34.368 1.00 6.76 C ATOM 0 H VAL A 57 10.911 48.068 35.458 1.00 7.60 H new ATOM 0 HA VAL A 57 8.284 47.789 35.198 1.00 8.00 H new ATOM 0 HB VAL A 57 10.160 46.088 36.354 1.00 6.33 H new ATOM 0 HG11 VAL A 57 8.512 44.385 36.307 1.00 7.75 H new ATOM 0 HG12 VAL A 57 8.077 45.560 37.274 1.00 7.75 H new ATOM 0 HG13 VAL A 57 7.444 45.450 35.826 1.00 7.75 H new ATOM 0 HG21 VAL A 57 9.997 44.794 34.383 1.00 6.76 H new ATOM 0 HG22 VAL A 57 9.021 45.878 33.766 1.00 6.76 H new ATOM 0 HG23 VAL A 57 10.532 46.250 34.060 1.00 6.76 H new ATOM 441 N CYS A 58 9.275 48.756 37.978 1.00 7.24 N ATOM 442 CA CYS A 58 8.824 49.291 39.299 1.00 9.19 C ATOM 443 C CYS A 58 7.800 50.399 39.198 1.00 12.63 C ATOM 444 O CYS A 58 7.198 50.858 40.215 1.00 12.25 O ATOM 445 CB CYS A 58 10.000 49.749 40.215 1.00 8.89 C ATOM 446 SG CYS A 58 11.131 48.374 40.570 1.00 9.13 S ATOM 0 H CYS A 58 10.113 48.853 37.810 1.00 7.24 H new ATOM 0 HA CYS A 58 8.392 48.528 39.713 1.00 9.19 H new ATOM 0 HB2 CYS A 58 10.487 50.469 39.784 1.00 8.89 H new ATOM 0 HB3 CYS A 58 9.647 50.103 41.046 1.00 8.89 H new ATOM 447 N SER A 59 7.558 50.858 37.978 1.00 9.36 N ATOM 448 CA SER A 59 6.533 51.889 37.774 1.00 8.68 C ATOM 449 C SER A 59 5.477 51.392 36.757 1.00 10.14 C ATOM 450 O SER A 59 4.784 52.233 36.147 1.00 16.41 O ATOM 451 CB SER A 59 7.150 53.227 37.317 1.00 15.20 C ATOM 452 OG SER A 59 7.812 53.035 36.097 1.00 25.16 O ATOM 0 H SER A 59 7.963 50.597 37.265 1.00 9.36 H new ATOM 0 HA SER A 59 6.098 52.052 38.625 1.00 8.68 H new ATOM 0 HB2 SER A 59 6.457 53.899 37.219 1.00 15.20 H new ATOM 0 HB3 SER A 59 7.771 53.555 37.986 1.00 15.20 H new ATOM 0 HG SER A 59 7.955 52.215 35.982 1.00 25.16 H new ATOM 453 N GLN A 60 5.372 50.093 36.605 1.00 10.28 N ATOM 454 CA GLN A 60 4.361 49.444 35.741 1.00 8.73 C ATOM 455 C GLN A 60 3.217 48.909 36.554 1.00 9.93 C ATOM 456 O GLN A 60 2.721 49.597 37.520 1.00 11.04 O ATOM 457 CB GLN A 60 5.038 48.450 34.775 1.00 8.34 C ATOM 458 CG GLN A 60 5.956 49.329 33.910 1.00 8.75 C ATOM 459 CD GLN A 60 6.784 48.527 32.944 1.00 12.83 C ATOM 460 OE1 GLN A 60 6.543 47.380 32.639 1.00 12.65 O ATOM 461 NE2 GLN A 60 7.808 49.214 32.436 1.00 13.96 N ATOM 0 H GLN A 60 5.890 49.534 37.003 1.00 10.28 H new ATOM 0 HA GLN A 60 3.942 50.098 35.160 1.00 8.73 H new ATOM 0 HB2 GLN A 60 5.543 47.776 35.257 1.00 8.34 H new ATOM 0 HB3 GLN A 60 4.384 47.981 34.234 1.00 8.34 H new ATOM 0 HG2 GLN A 60 5.416 49.966 33.416 1.00 8.75 H new ATOM 0 HG3 GLN A 60 6.544 49.842 34.486 1.00 8.75 H new ATOM 0 HE21 GLN A 60 7.943 50.027 32.680 1.00 13.96 H new ATOM 0 HE22 GLN A 60 8.333 48.844 31.864 1.00 13.96 H new ATOM 462 N LYS A 61 2.660 47.762 36.300 1.00 9.29 N ATOM 463 CA LYS A 61 1.485 47.228 36.910 1.00 11.04 C ATOM 464 C LYS A 61 1.713 46.654 38.283 1.00 8.29 C ATOM 465 O LYS A 61 2.361 45.623 38.435 1.00 10.49 O ATOM 466 CB LYS A 61 0.791 46.158 35.995 1.00 11.05 C ATOM 467 CG LYS A 61 -0.594 45.890 36.503 1.00 14.70 C ATOM 468 CD LYS A 61 -1.604 45.088 35.741 1.00 37.94 C ATOM 469 CE LYS A 61 -2.884 44.935 36.503 1.00 30.75 C ATOM 470 NZ LYS A 61 -3.290 46.158 37.266 1.00 26.64 N ATOM 0 H LYS A 61 2.989 47.226 35.713 1.00 9.29 H new ATOM 0 HA LYS A 61 0.896 47.991 37.019 1.00 11.04 H new ATOM 0 HB2 LYS A 61 0.754 46.476 35.079 1.00 11.05 H new ATOM 0 HB3 LYS A 61 1.309 45.338 35.990 1.00 11.05 H new ATOM 0 HG2 LYS A 61 -0.492 45.456 37.364 1.00 14.70 H new ATOM 0 HG3 LYS A 61 -0.999 46.756 36.668 1.00 14.70 H new ATOM 0 HD2 LYS A 61 -1.784 45.518 34.891 1.00 37.94 H new ATOM 0 HD3 LYS A 61 -1.239 44.211 35.544 1.00 37.94 H new ATOM 0 HE2 LYS A 61 -3.593 44.702 35.883 1.00 30.75 H new ATOM 0 HE3 LYS A 61 -2.794 44.194 37.122 1.00 30.75 H new ATOM 0 HZ1 LYS A 61 -4.160 46.119 37.449 1.00 26.64 H new ATOM 0 HZ2 LYS A 61 -2.829 46.201 38.026 1.00 26.64 H new ATOM 0 HZ3 LYS A 61 -3.123 46.882 36.777 1.00 26.64 H new ATOM 471 N ASN A 62 1.141 47.380 39.299 1.00 11.55 N ATOM 472 CA ASN A 62 1.263 46.922 40.723 1.00 8.05 C ATOM 473 C ASN A 62 0.375 45.699 40.875 1.00 9.59 C ATOM 474 O ASN A 62 -0.831 45.776 40.570 1.00 10.30 O ATOM 475 CB ASN A 62 0.842 48.068 41.638 1.00 10.31 C ATOM 476 CG ASN A 62 1.070 47.839 43.112 1.00 11.56 C ATOM 477 OD1 ASN A 62 0.257 48.336 43.926 1.00 15.73 O ATOM 478 ND2 ASN A 62 2.155 47.151 43.519 1.00 9.56 N ATOM 0 H ASN A 62 0.698 48.109 39.188 1.00 11.55 H new ATOM 0 HA ASN A 62 2.171 46.680 40.963 1.00 8.05 H new ATOM 0 HB2 ASN A 62 1.324 48.867 41.372 1.00 10.31 H new ATOM 0 HB3 ASN A 62 -0.101 48.245 41.496 1.00 10.31 H new ATOM 0 HD21 ASN A 62 2.305 47.043 44.359 1.00 9.56 H new ATOM 0 HD22 ASN A 62 2.697 46.820 42.939 1.00 9.56 H new ATOM 479 N VAL A 63 0.963 44.667 41.435 1.00 7.91 N ATOM 480 CA VAL A 63 0.255 43.407 41.689 1.00 11.23 C ATOM 481 C VAL A 63 0.769 42.833 43.011 1.00 7.34 C ATOM 482 O VAL A 63 1.854 43.216 43.417 1.00 8.12 O ATOM 483 CB VAL A 63 0.450 42.413 40.520 1.00 11.33 C ATOM 484 CG1 VAL A 63 -0.064 42.948 39.198 1.00 11.99 C ATOM 485 CG2 VAL A 63 1.881 41.955 40.367 1.00 12.31 C ATOM 0 H VAL A 63 1.786 44.664 41.684 1.00 7.91 H new ATOM 0 HA VAL A 63 -0.699 43.568 41.755 1.00 11.23 H new ATOM 0 HB VAL A 63 -0.087 41.642 40.762 1.00 11.33 H new ATOM 0 HG11 VAL A 63 0.083 42.288 38.503 1.00 11.99 H new ATOM 0 HG12 VAL A 63 -1.013 43.135 39.271 1.00 11.99 H new ATOM 0 HG13 VAL A 63 0.409 43.764 38.973 1.00 11.99 H new ATOM 0 HG21 VAL A 63 1.945 41.336 39.623 1.00 12.31 H new ATOM 0 HG22 VAL A 63 2.450 42.722 40.199 1.00 12.31 H new ATOM 0 HG23 VAL A 63 2.168 41.512 41.181 1.00 12.31 H new ATOM 486 N ALA A 64 -0.074 41.993 43.621 1.00 8.43 N ATOM 487 CA ALA A 64 0.394 41.381 44.892 1.00 11.56 C ATOM 488 C ALA A 64 1.493 40.350 44.536 1.00 10.26 C ATOM 489 O ALA A 64 1.402 39.624 43.519 1.00 10.67 O ATOM 490 CB ALA A 64 -0.720 40.617 45.604 1.00 9.05 C ATOM 0 H ALA A 64 -0.860 41.772 43.351 1.00 8.43 H new ATOM 0 HA ALA A 64 0.709 42.090 45.474 1.00 11.56 H new ATOM 0 HB1 ALA A 64 -0.376 40.234 46.426 1.00 9.05 H new ATOM 0 HB2 ALA A 64 -1.448 41.224 45.811 1.00 9.05 H new ATOM 0 HB3 ALA A 64 -1.045 39.907 45.028 1.00 9.05 H new ATOM 491 N CYS A 65 2.519 40.273 45.349 1.00 5.32 N ATOM 492 CA CYS A 65 3.558 39.242 45.197 1.00 4.14 C ATOM 493 C CYS A 65 2.926 37.904 45.604 1.00 6.42 C ATOM 494 O CYS A 65 1.857 37.866 46.265 1.00 7.43 O ATOM 495 CB CYS A 65 4.674 39.509 46.214 1.00 9.09 C ATOM 496 SG CYS A 65 5.367 41.152 46.112 1.00 8.89 S ATOM 0 H CYS A 65 2.647 40.809 46.009 1.00 5.32 H new ATOM 0 HA CYS A 65 3.901 39.239 44.290 1.00 4.14 H new ATOM 0 HB2 CYS A 65 4.325 39.370 47.108 1.00 9.09 H new ATOM 0 HB3 CYS A 65 5.382 38.860 46.082 1.00 9.09 H new ATOM 497 N LYS A 66 3.618 36.834 45.299 1.00 6.84 N ATOM 498 CA LYS A 66 3.091 35.497 45.654 1.00 7.89 C ATOM 499 C LYS A 66 2.882 35.382 47.180 1.00 10.17 C ATOM 500 O LYS A 66 1.948 34.656 47.586 1.00 12.76 O ATOM 501 CB LYS A 66 4.025 34.351 45.248 1.00 11.55 C ATOM 502 CG LYS A 66 4.144 34.160 43.723 1.00 19.71 C ATOM 503 CD LYS A 66 5.273 33.243 43.367 1.00 26.50 C ATOM 504 CE LYS A 66 5.151 32.670 41.943 1.00 37.24 C ATOM 505 NZ LYS A 66 6.341 31.829 41.689 1.00 35.05 N ATOM 0 H LYS A 66 4.378 36.836 44.897 1.00 6.84 H new ATOM 0 HA LYS A 66 2.256 35.415 45.168 1.00 7.89 H new ATOM 0 HB2 LYS A 66 4.907 34.518 45.615 1.00 11.55 H new ATOM 0 HB3 LYS A 66 3.704 33.526 45.645 1.00 11.55 H new ATOM 0 HG2 LYS A 66 3.313 33.800 43.376 1.00 19.71 H new ATOM 0 HG3 LYS A 66 4.280 35.021 43.298 1.00 19.71 H new ATOM 0 HD2 LYS A 66 6.112 33.724 43.447 1.00 26.50 H new ATOM 0 HD3 LYS A 66 5.303 32.512 44.004 1.00 26.50 H new ATOM 0 HE2 LYS A 66 4.340 32.146 41.856 1.00 37.24 H new ATOM 0 HE3 LYS A 66 5.096 33.387 41.292 1.00 37.24 H new ATOM 0 HZ1 LYS A 66 6.293 31.486 40.869 1.00 35.05 H new ATOM 0 HZ2 LYS A 66 7.076 32.326 41.759 1.00 35.05 H new ATOM 0 HZ3 LYS A 66 6.371 31.169 42.285 1.00 35.05 H new ATOM 506 N ASN A 67 3.711 36.032 47.942 1.00 7.09 N ATOM 507 CA ASN A 67 3.577 35.956 49.417 1.00 6.96 C ATOM 508 C ASN A 67 2.614 36.949 50.027 1.00 14.87 C ATOM 509 O ASN A 67 2.585 37.025 51.247 1.00 11.82 O ATOM 510 CB ASN A 67 4.994 36.070 50.027 1.00 9.31 C ATOM 511 CG ASN A 67 5.386 37.560 50.230 1.00 18.36 C ATOM 512 OD1 ASN A 67 5.009 38.477 49.467 1.00 13.78 O ATOM 513 ND2 ASN A 67 6.156 37.828 51.298 1.00 25.99 N ATOM 0 H ASN A 67 4.357 36.523 47.658 1.00 7.09 H new ATOM 0 HA ASN A 67 3.173 35.101 49.632 1.00 6.96 H new ATOM 0 HB2 ASN A 67 5.024 35.604 50.877 1.00 9.31 H new ATOM 0 HB3 ASN A 67 5.638 35.638 49.444 1.00 9.31 H new ATOM 0 HD21 ASN A 67 6.395 38.637 51.463 1.00 25.99 H new ATOM 0 HD22 ASN A 67 6.410 37.190 51.816 1.00 25.99 H new ATOM 514 N GLY A 68 1.920 37.751 49.213 1.00 8.39 N ATOM 515 CA GLY A 68 0.956 38.707 49.722 1.00 6.65 C ATOM 516 C GLY A 68 1.439 40.120 49.823 1.00 8.77 C ATOM 517 O GLY A 68 0.580 41.038 49.874 1.00 9.62 O ATOM 0 H GLY A 68 2.000 37.750 48.357 1.00 8.39 H new ATOM 0 HA2 GLY A 68 0.174 38.690 49.149 1.00 6.65 H new ATOM 0 HA3 GLY A 68 0.670 38.416 50.602 1.00 6.65 H new ATOM 518 N GLN A 69 2.719 40.350 49.773 1.00 9.26 N ATOM 519 CA GLN A 69 3.246 41.764 49.823 1.00 7.55 C ATOM 520 C GLN A 69 2.688 42.528 48.654 1.00 10.01 C ATOM 521 O GLN A 69 2.400 41.916 47.586 1.00 10.13 O ATOM 522 CB GLN A 69 4.738 41.764 49.773 1.00 6.23 C ATOM 523 CG GLN A 69 5.417 41.343 51.044 1.00 11.14 C ATOM 524 CD GLN A 69 6.938 41.267 50.891 1.00 14.19 C ATOM 525 OE1 GLN A 69 7.617 40.503 51.552 1.00 16.35 O ATOM 526 NE2 GLN A 69 7.540 42.107 49.976 1.00 12.69 N ATOM 0 H GLN A 69 3.322 39.740 49.711 1.00 9.26 H new ATOM 0 HA GLN A 69 2.971 42.185 50.653 1.00 7.55 H new ATOM 0 HB2 GLN A 69 5.024 41.173 49.059 1.00 6.23 H new ATOM 0 HB3 GLN A 69 5.040 42.656 49.541 1.00 6.23 H new ATOM 0 HG2 GLN A 69 5.196 41.971 51.750 1.00 11.14 H new ATOM 0 HG3 GLN A 69 5.078 40.477 51.318 1.00 11.14 H new ATOM 0 HE21 GLN A 69 7.061 42.647 49.508 1.00 12.69 H new ATOM 0 HE22 GLN A 69 8.394 42.090 49.874 1.00 12.69 H new ATOM 527 N THR A 70 2.567 43.827 48.756 1.00 7.55 N ATOM 528 CA THR A 70 1.949 44.667 47.688 1.00 5.01 C ATOM 529 C THR A 70 2.972 45.546 46.976 1.00 6.83 C ATOM 530 O THR A 70 2.520 46.463 46.265 1.00 11.04 O ATOM 531 CB THR A 70 0.744 45.432 48.298 1.00 9.59 C ATOM 532 OG1 THR A 70 1.212 46.196 49.366 1.00 11.11 O ATOM 533 CG2 THR A 70 -0.400 44.553 48.705 1.00 9.03 C ATOM 0 H THR A 70 2.834 44.275 49.440 1.00 7.55 H new ATOM 0 HA THR A 70 1.607 44.105 46.976 1.00 5.01 H new ATOM 0 HB THR A 70 0.370 46.001 47.607 1.00 9.59 H new ATOM 0 HG1 THR A 70 0.573 46.620 49.709 1.00 11.11 H new ATOM 0 HG21 THR A 70 -1.112 45.098 49.075 1.00 9.03 H new ATOM 0 HG22 THR A 70 -0.731 44.073 47.930 1.00 9.03 H new ATOM 0 HG23 THR A 70 -0.099 43.918 49.374 1.00 9.03 H new ATOM 534 N ASN A 71 4.238 45.241 47.078 1.00 7.22 N ATOM 535 CA ASN A 71 5.277 45.967 46.417 1.00 8.18 C ATOM 536 C ASN A 71 5.772 45.202 45.146 1.00 5.81 C ATOM 537 O ASN A 71 6.947 45.432 44.841 1.00 7.45 O ATOM 538 CB ASN A 71 6.498 46.311 47.281 1.00 7.96 C ATOM 539 CG ASN A 71 7.237 45.164 47.841 1.00 9.93 C ATOM 540 OD1 ASN A 71 6.589 44.133 48.196 1.00 10.65 O ATOM 541 ND2 ASN A 71 8.562 45.279 47.942 1.00 9.99 N ATOM 0 H ASN A 71 4.525 44.582 47.551 1.00 7.22 H new ATOM 0 HA ASN A 71 4.857 46.810 46.185 1.00 8.18 H new ATOM 0 HB2 ASN A 71 7.112 46.839 46.747 1.00 7.96 H new ATOM 0 HB3 ASN A 71 6.205 46.874 48.015 1.00 7.96 H new ATOM 0 HD21 ASN A 71 9.027 44.631 48.263 1.00 9.99 H new ATOM 0 HD22 ASN A 71 8.952 46.002 47.686 1.00 9.99 H new ATOM 542 N CYS A 72 4.898 44.438 44.536 1.00 5.45 N ATOM 543 CA CYS A 72 5.288 43.750 43.316 1.00 5.80 C ATOM 544 C CYS A 72 4.715 44.476 42.096 1.00 7.01 C ATOM 545 O CYS A 72 3.720 45.202 42.197 1.00 7.99 O ATOM 546 CB CYS A 72 4.852 42.260 43.367 1.00 9.43 C ATOM 547 SG CYS A 72 6.163 41.190 44.129 1.00 8.24 S ATOM 0 H CYS A 72 4.090 44.301 44.798 1.00 5.45 H new ATOM 0 HA CYS A 72 6.255 43.762 43.237 1.00 5.80 H new ATOM 0 HB2 CYS A 72 4.031 42.180 43.877 1.00 9.43 H new ATOM 0 HB3 CYS A 72 4.660 41.947 42.469 1.00 9.43 H new ATOM 548 N TYR A 73 5.437 44.285 40.977 1.00 6.94 N ATOM 549 CA TYR A 73 5.013 44.935 39.757 1.00 7.99 C ATOM 550 C TYR A 73 5.238 43.941 38.588 1.00 6.68 C ATOM 551 O TYR A 73 6.308 43.330 38.537 1.00 7.11 O ATOM 552 CB TYR A 73 5.887 46.196 39.452 1.00 9.56 C ATOM 553 CG TYR A 73 5.557 47.228 40.570 1.00 6.08 C ATOM 554 CD1 TYR A 73 6.326 47.151 41.740 1.00 6.26 C ATOM 555 CD2 TYR A 73 4.592 48.183 40.367 1.00 9.04 C ATOM 556 CE1 TYR A 73 6.056 48.068 42.757 1.00 10.81 C ATOM 557 CE2 TYR A 73 4.277 49.100 41.435 1.00 9.07 C ATOM 558 CZ TYR A 73 5.047 48.985 42.604 1.00 10.60 C ATOM 559 OH TYR A 73 4.822 49.864 43.672 1.00 23.21 O ATOM 0 H TYR A 73 6.145 43.801 40.917 1.00 6.94 H new ATOM 0 HA TYR A 73 4.085 45.200 39.855 1.00 7.99 H new ATOM 0 HB2 TYR A 73 6.831 45.973 39.453 1.00 9.56 H new ATOM 0 HB3 TYR A 73 5.682 46.557 38.575 1.00 9.56 H new ATOM 0 HD1 TYR A 73 6.993 46.510 41.835 1.00 6.26 H new ATOM 0 HD2 TYR A 73 4.147 48.238 39.552 1.00 9.04 H new ATOM 0 HE1 TYR A 73 6.560 48.057 43.538 1.00 10.81 H new ATOM 0 HE2 TYR A 73 3.601 49.733 41.354 1.00 9.07 H new ATOM 0 HH TYR A 73 5.484 49.852 44.189 1.00 23.21 H new ATOM 560 N GLN A 74 4.258 43.980 37.723 1.00 7.10 N ATOM 561 CA GLN A 74 4.317 43.139 36.503 1.00 8.62 C ATOM 562 C GLN A 74 4.617 43.980 35.283 1.00 10.01 C ATOM 563 O GLN A 74 4.074 45.088 35.080 1.00 8.69 O ATOM 564 CB GLN A 74 2.976 42.451 36.351 1.00 10.64 C ATOM 565 CG GLN A 74 2.945 41.611 35.029 1.00 8.50 C ATOM 566 CD GLN A 74 1.574 40.999 34.978 1.00 26.35 C ATOM 567 OE1 GLN A 74 1.228 40.159 35.842 1.00 29.56 O ATOM 568 NE2 GLN A 74 0.774 41.420 34.012 1.00 42.45 N ATOM 0 H GLN A 74 3.554 44.468 37.799 1.00 7.10 H new ATOM 0 HA GLN A 74 5.028 42.484 36.586 1.00 8.62 H new ATOM 0 HB2 GLN A 74 2.813 41.873 37.113 1.00 10.64 H new ATOM 0 HB3 GLN A 74 2.266 43.111 36.339 1.00 10.64 H new ATOM 0 HG2 GLN A 74 3.107 42.172 34.254 1.00 8.50 H new ATOM 0 HG3 GLN A 74 3.633 40.927 35.033 1.00 8.50 H new ATOM 0 HE21 GLN A 74 1.056 41.998 33.441 1.00 42.45 H new ATOM 0 HE22 GLN A 74 -0.028 41.115 33.955 1.00 42.45 H new ATOM 569 N SER A 75 5.520 43.445 34.470 1.00 7.80 N ATOM 570 CA SER A 75 5.925 44.133 33.199 1.00 8.40 C ATOM 571 C SER A 75 4.764 44.171 32.233 1.00 9.93 C ATOM 572 O SER A 75 4.011 43.216 32.029 1.00 9.63 O ATOM 573 CB SER A 75 7.175 43.559 32.639 1.00 7.43 C ATOM 574 OG SER A 75 6.979 42.222 32.182 1.00 10.22 O ATOM 0 H SER A 75 5.917 42.696 34.614 1.00 7.80 H new ATOM 0 HA SER A 75 6.147 45.058 33.390 1.00 8.40 H new ATOM 0 HB2 SER A 75 7.485 44.111 31.904 1.00 7.43 H new ATOM 0 HB3 SER A 75 7.870 43.572 33.316 1.00 7.43 H new ATOM 0 HG SER A 75 6.838 42.227 31.354 1.00 10.22 H new ATOM 575 N TYR A 76 4.643 45.393 31.623 1.00 10.54 N ATOM 576 CA TYR A 76 3.618 45.585 30.606 1.00 10.29 C ATOM 577 C TYR A 76 3.978 44.667 29.386 1.00 13.50 C ATOM 578 O TYR A 76 3.074 44.133 28.776 1.00 17.09 O ATOM 579 CB TYR A 76 3.557 47.037 30.097 1.00 9.68 C ATOM 580 CG TYR A 76 3.001 47.954 31.165 1.00 16.24 C ATOM 581 CD1 TYR A 76 1.872 47.533 31.928 1.00 12.97 C ATOM 582 CD2 TYR A 76 3.528 49.176 31.419 1.00 17.80 C ATOM 583 CE1 TYR A 76 1.315 48.336 32.894 1.00 22.85 C ATOM 584 CE2 TYR A 76 2.987 50.055 32.436 1.00 18.88 C ATOM 585 CZ TYR A 76 1.873 49.597 33.148 1.00 19.49 C ATOM 586 OH TYR A 76 1.347 50.437 34.114 1.00 29.11 O ATOM 0 H TYR A 76 5.132 46.080 31.790 1.00 10.54 H new ATOM 0 HA TYR A 76 2.759 45.368 31.000 1.00 10.29 H new ATOM 0 HB2 TYR A 76 4.445 47.332 29.840 1.00 9.68 H new ATOM 0 HB3 TYR A 76 3.002 47.083 29.303 1.00 9.68 H new ATOM 0 HD1 TYR A 76 1.504 46.694 31.768 1.00 12.97 H new ATOM 0 HD2 TYR A 76 4.262 49.460 30.924 1.00 17.80 H new ATOM 0 HE1 TYR A 76 0.574 48.046 33.375 1.00 22.85 H new ATOM 0 HE2 TYR A 76 3.364 50.888 32.608 1.00 18.88 H new ATOM 0 HH TYR A 76 1.794 51.148 34.141 1.00 29.11 H new ATOM 587 N SER A 77 5.258 44.591 29.131 1.00 10.62 N ATOM 588 CA SER A 77 5.694 43.789 27.962 1.00 11.24 C ATOM 589 C SER A 77 6.327 42.490 28.369 1.00 15.24 C ATOM 590 O SER A 77 6.765 42.298 29.538 1.00 12.72 O ATOM 591 CB SER A 77 6.733 44.591 27.199 1.00 20.47 C ATOM 592 OG SER A 77 6.130 45.776 26.691 1.00 39.82 O ATOM 0 H SER A 77 5.884 44.969 29.585 1.00 10.62 H new ATOM 0 HA SER A 77 4.911 43.592 27.425 1.00 11.24 H new ATOM 0 HB2 SER A 77 7.475 44.817 27.782 1.00 20.47 H new ATOM 0 HB3 SER A 77 7.095 44.062 26.471 1.00 20.47 H new ATOM 0 HG SER A 77 6.702 46.223 26.269 1.00 39.82 H new ATOM 593 N THR A 78 6.341 41.572 27.403 1.00 12.36 N ATOM 594 CA THR A 78 7.050 40.273 27.657 1.00 10.49 C ATOM 595 C THR A 78 8.541 40.655 27.606 1.00 15.07 C ATOM 596 O THR A 78 8.977 41.687 26.945 1.00 13.90 O ATOM 597 CB THR A 78 6.702 39.127 26.691 1.00 12.21 C ATOM 598 OG1 THR A 78 7.107 39.586 25.420 1.00 19.91 O ATOM 599 CG2 THR A 78 5.226 38.783 26.691 1.00 11.05 C ATOM 0 H THR A 78 5.974 41.654 26.630 1.00 12.36 H new ATOM 0 HA THR A 78 6.774 39.896 28.507 1.00 10.49 H new ATOM 0 HB THR A 78 7.149 38.308 26.956 1.00 12.21 H new ATOM 0 HG1 THR A 78 6.943 38.997 24.844 1.00 19.91 H new ATOM 0 HG21 THR A 78 5.063 38.058 26.068 1.00 11.05 H new ATOM 0 HG22 THR A 78 4.957 38.510 27.582 1.00 11.05 H new ATOM 0 HG23 THR A 78 4.712 39.561 26.423 1.00 11.05 H new ATOM 600 N MET A 79 9.355 39.815 28.216 1.00 8.74 N ATOM 601 CA MET A 79 10.801 40.006 28.216 1.00 10.17 C ATOM 602 C MET A 79 11.479 38.669 27.962 1.00 9.01 C ATOM 603 O MET A 79 10.846 37.637 28.165 1.00 9.96 O ATOM 604 CB MET A 79 11.315 40.579 29.538 1.00 8.60 C ATOM 605 CG MET A 79 10.803 42.031 29.741 1.00 8.88 C ATOM 606 SD MET A 79 11.528 42.642 31.267 1.00 10.87 S ATOM 607 CE MET A 79 11.121 44.400 31.012 1.00 14.75 C ATOM 0 H MET A 79 9.090 39.117 28.643 1.00 8.74 H new ATOM 0 HA MET A 79 11.011 40.644 27.516 1.00 10.17 H new ATOM 0 HB2 MET A 79 11.020 40.021 30.274 1.00 8.60 H new ATOM 0 HB3 MET A 79 12.285 40.569 29.545 1.00 8.60 H new ATOM 0 HG2 MET A 79 11.059 42.592 28.992 1.00 8.88 H new ATOM 0 HG3 MET A 79 9.834 42.049 29.791 1.00 8.88 H new ATOM 0 HE1 MET A 79 11.445 44.920 31.764 1.00 14.75 H new ATOM 0 HE2 MET A 79 11.542 44.715 30.197 1.00 14.75 H new ATOM 0 HE3 MET A 79 10.159 44.502 30.939 1.00 14.75 H new ATOM 608 N SER A 80 12.684 38.745 27.454 1.00 6.65 N ATOM 609 CA SER A 80 13.452 37.522 27.199 1.00 6.18 C ATOM 610 C SER A 80 14.011 37.064 28.572 1.00 6.47 C ATOM 611 O SER A 80 14.749 37.828 29.233 1.00 9.27 O ATOM 612 CB SER A 80 14.565 37.790 26.183 1.00 10.25 C ATOM 613 OG SER A 80 15.424 36.682 26.132 1.00 10.95 O ATOM 0 H SER A 80 13.084 39.478 27.247 1.00 6.65 H new ATOM 0 HA SER A 80 12.901 36.824 26.813 1.00 6.18 H new ATOM 0 HB2 SER A 80 14.184 37.957 25.307 1.00 10.25 H new ATOM 0 HB3 SER A 80 15.061 38.585 26.433 1.00 10.25 H new ATOM 0 HG SER A 80 15.985 36.790 25.516 1.00 10.95 H new ATOM 614 N ILE A 81 13.634 35.841 28.928 1.00 7.94 N ATOM 615 CA ILE A 81 14.133 35.306 30.199 1.00 7.36 C ATOM 616 C ILE A 81 14.645 33.892 29.996 1.00 7.07 C ATOM 617 O ILE A 81 14.252 33.166 29.081 1.00 9.05 O ATOM 618 CB ILE A 81 13.034 35.306 31.267 1.00 7.78 C ATOM 619 CG1 ILE A 81 11.919 34.351 30.860 1.00 9.06 C ATOM 620 CG2 ILE A 81 12.522 36.720 31.470 1.00 7.60 C ATOM 621 CD1 ILE A 81 10.896 33.930 31.877 1.00 17.46 C ATOM 0 H ILE A 81 13.116 35.323 28.477 1.00 7.94 H new ATOM 0 HA ILE A 81 14.856 35.876 30.504 1.00 7.36 H new ATOM 0 HB ILE A 81 13.393 34.995 32.113 1.00 7.78 H new ATOM 0 HG12 ILE A 81 11.442 34.759 30.120 1.00 9.06 H new ATOM 0 HG13 ILE A 81 12.337 33.545 30.518 1.00 9.06 H new ATOM 0 HG21 ILE A 81 11.826 36.719 32.146 1.00 7.60 H new ATOM 0 HG22 ILE A 81 13.252 37.290 31.759 1.00 7.60 H new ATOM 0 HG23 ILE A 81 12.160 37.056 30.635 1.00 7.60 H new ATOM 0 HD11 ILE A 81 10.259 33.326 31.465 1.00 17.46 H new ATOM 0 HD12 ILE A 81 11.338 33.480 32.614 1.00 17.46 H new ATOM 0 HD13 ILE A 81 10.429 34.713 32.210 1.00 17.46 H new ATOM 622 N THR A 82 15.504 33.472 30.962 1.00 5.91 N ATOM 623 CA THR A 82 16.002 32.096 31.012 1.00 7.58 C ATOM 624 C THR A 82 15.672 31.523 32.436 1.00 11.91 C ATOM 625 O THR A 82 16.170 32.096 33.402 1.00 7.95 O ATOM 626 CB THR A 82 17.493 31.905 30.758 1.00 10.14 C ATOM 627 OG1 THR A 82 17.808 32.479 29.487 1.00 9.37 O ATOM 628 CG2 THR A 82 17.915 30.453 30.758 1.00 8.87 C ATOM 0 H THR A 82 15.802 33.978 31.590 1.00 5.91 H new ATOM 0 HA THR A 82 15.561 31.632 30.283 1.00 7.58 H new ATOM 0 HB THR A 82 17.972 32.339 31.481 1.00 10.14 H new ATOM 0 HG1 THR A 82 17.213 32.274 28.931 1.00 9.37 H new ATOM 0 HG21 THR A 82 18.869 30.393 30.592 1.00 8.87 H new ATOM 0 HG22 THR A 82 17.711 30.057 31.620 1.00 8.87 H new ATOM 0 HG23 THR A 82 17.436 29.977 30.062 1.00 8.87 H new ATOM 629 N ASP A 83 14.888 30.453 32.436 1.00 8.32 N ATOM 630 CA ASP A 83 14.603 29.766 33.707 1.00 6.70 C ATOM 631 C ASP A 83 15.658 28.696 33.910 1.00 8.89 C ATOM 632 O ASP A 83 15.974 27.932 32.944 1.00 9.45 O ATOM 633 CB ASP A 83 13.217 29.192 33.707 1.00 9.33 C ATOM 634 CG ASP A 83 12.163 30.186 34.114 1.00 28.05 C ATOM 635 OD1 ASP A 83 12.435 31.332 34.520 1.00 53.61 O ATOM 636 OD2 ASP A 83 11.003 29.804 33.961 1.00 36.27 O ATOM 0 H ASP A 83 14.518 30.111 31.739 1.00 8.32 H new ATOM 0 HA ASP A 83 14.638 30.395 34.445 1.00 6.70 H new ATOM 0 HB2 ASP A 83 13.012 28.857 32.820 1.00 9.33 H new ATOM 0 HB3 ASP A 83 13.188 28.433 34.310 1.00 9.33 H new ATOM 637 N CYS A 84 16.172 28.581 35.131 1.00 5.63 N ATOM 638 CA CYS A 84 17.151 27.588 35.486 1.00 3.84 C ATOM 639 C CYS A 84 16.520 26.709 36.605 1.00 12.76 C ATOM 640 O CYS A 84 16.129 27.320 37.622 1.00 11.40 O ATOM 641 CB CYS A 84 18.432 28.161 36.046 1.00 6.66 C ATOM 642 SG CYS A 84 19.245 29.269 34.826 1.00 8.87 S ATOM 0 H CYS A 84 15.950 29.095 35.784 1.00 5.63 H new ATOM 0 HA CYS A 84 17.379 27.104 34.677 1.00 3.84 H new ATOM 0 HB2 CYS A 84 18.242 28.654 36.859 1.00 6.66 H new ATOM 0 HB3 CYS A 84 19.035 27.440 36.286 1.00 6.66 H new ATOM 643 N ARG A 85 16.399 25.448 36.402 1.00 8.79 N ATOM 644 CA ARG A 85 15.798 24.531 37.418 1.00 6.95 C ATOM 645 C ARG A 85 16.807 23.385 37.673 1.00 12.42 C ATOM 646 O ARG A 85 17.303 22.811 36.707 1.00 10.20 O ATOM 647 CB ARG A 85 14.486 23.958 36.961 1.00 8.79 C ATOM 648 CG ARG A 85 13.477 25.028 36.605 1.00 27.30 C ATOM 649 CD ARG A 85 12.075 24.569 36.452 1.00 34.17 C ATOM 650 NE ARG A 85 11.262 25.754 36.859 1.00 48.71 N ATOM 651 CZ ARG A 85 11.038 26.021 38.130 1.00 57.07 C ATOM 652 NH1 ARG A 85 10.873 25.028 38.994 1.00 44.90 N ATOM 653 NH2 ARG A 85 10.827 27.282 38.537 1.00 45.46 N ATOM 0 H ARG A 85 16.652 25.055 35.680 1.00 8.79 H new ATOM 0 HA ARG A 85 15.619 25.034 38.228 1.00 6.95 H new ATOM 0 HB2 ARG A 85 14.636 23.390 36.189 1.00 8.79 H new ATOM 0 HB3 ARG A 85 14.121 23.394 37.661 1.00 8.79 H new ATOM 0 HG2 ARG A 85 13.502 25.713 37.291 1.00 27.30 H new ATOM 0 HG3 ARG A 85 13.755 25.447 35.775 1.00 27.30 H new ATOM 0 HD2 ARG A 85 11.885 24.305 35.538 1.00 34.17 H new ATOM 0 HD3 ARG A 85 11.889 23.801 37.014 1.00 34.17 H new ATOM 0 HE ARG A 85 10.935 26.270 36.254 1.00 48.71 H new ATOM 0 HH11 ARG A 85 10.912 24.212 38.724 1.00 44.90 H new ATOM 0 HH12 ARG A 85 10.727 25.200 39.824 1.00 44.90 H new ATOM 0 HH21 ARG A 85 10.837 27.925 37.966 1.00 45.46 H new ATOM 0 HH22 ARG A 85 10.682 27.447 39.368 1.00 45.46 H new ATOM 654 N GLU A 86 17.095 23.117 38.944 1.00 9.40 N ATOM 655 CA GLU A 86 18.059 22.047 39.249 1.00 6.83 C ATOM 656 C GLU A 86 17.546 20.710 38.740 1.00 10.12 C ATOM 657 O GLU A 86 16.341 20.404 38.740 1.00 12.77 O ATOM 658 CB GLU A 86 18.196 22.009 40.825 1.00 10.81 C ATOM 659 CG GLU A 86 19.312 21.168 41.333 1.00 15.23 C ATOM 660 CD GLU A 86 19.524 21.168 42.858 1.00 6.33 C ATOM 661 OE1 GLU A 86 18.395 21.512 43.417 1.00 13.05 O ATOM 662 OE2 GLU A 86 20.624 20.863 43.214 1.00 11.23 O ATOM 0 H GLU A 86 16.761 23.522 39.625 1.00 9.40 H new ATOM 0 HA GLU A 86 18.913 22.214 38.821 1.00 6.83 H new ATOM 0 HB2 GLU A 86 18.317 22.915 41.149 1.00 10.81 H new ATOM 0 HB3 GLU A 86 17.364 21.682 41.202 1.00 10.81 H new ATOM 0 HG2 GLU A 86 19.160 20.254 41.046 1.00 15.23 H new ATOM 0 HG3 GLU A 86 20.134 21.464 40.911 1.00 15.23 H new ATOM 663 N THR A 87 18.450 19.907 38.232 1.00 12.50 N ATOM 664 CA THR A 87 18.133 18.570 37.673 1.00 15.27 C ATOM 665 C THR A 87 18.300 17.500 38.740 1.00 9.59 C ATOM 666 O THR A 87 18.934 17.729 39.757 1.00 8.71 O ATOM 667 CB THR A 87 18.990 18.226 36.402 1.00 11.00 C ATOM 668 OG1 THR A 87 20.286 17.920 36.910 1.00 15.27 O ATOM 669 CG2 THR A 87 19.050 19.411 35.486 1.00 13.70 C ATOM 0 H THR A 87 19.285 20.107 38.192 1.00 12.50 H new ATOM 0 HA THR A 87 17.207 18.593 37.386 1.00 15.27 H new ATOM 0 HB THR A 87 18.617 17.492 35.890 1.00 11.00 H new ATOM 0 HG1 THR A 87 20.798 17.724 36.273 1.00 15.27 H new ATOM 0 HG21 THR A 87 19.581 19.190 34.705 1.00 13.70 H new ATOM 0 HG22 THR A 87 18.152 19.652 35.209 1.00 13.70 H new ATOM 0 HG23 THR A 87 19.456 20.159 35.951 1.00 13.70 H new ATOM 670 N GLY A 88 17.772 16.316 38.384 1.00 12.88 N ATOM 671 CA GLY A 88 17.833 15.169 39.299 1.00 7.48 C ATOM 672 C GLY A 88 19.265 14.749 39.554 1.00 10.78 C ATOM 673 O GLY A 88 19.537 14.099 40.570 1.00 12.21 O ATOM 0 H GLY A 88 17.383 16.161 37.633 1.00 12.88 H new ATOM 0 HA2 GLY A 88 17.406 15.399 40.139 1.00 7.48 H new ATOM 0 HA3 GLY A 88 17.337 14.425 38.923 1.00 7.48 H new ATOM 674 N SER A 89 20.213 15.055 38.689 1.00 8.93 N ATOM 675 CA SER A 89 21.614 14.711 38.842 1.00 9.98 C ATOM 676 C SER A 89 22.443 15.743 39.604 1.00 10.47 C ATOM 677 O SER A 89 23.664 15.551 39.859 1.00 14.74 O ATOM 678 CB SER A 89 22.260 14.367 37.469 1.00 14.55 C ATOM 679 OG SER A 89 21.642 13.106 37.113 1.00 17.05 O ATOM 0 H SER A 89 20.052 15.488 37.964 1.00 8.93 H new ATOM 0 HA SER A 89 21.623 13.919 39.402 1.00 9.98 H new ATOM 0 HB2 SER A 89 22.080 15.053 36.807 1.00 14.55 H new ATOM 0 HB3 SER A 89 23.224 14.286 37.538 1.00 14.55 H new ATOM 0 HG SER A 89 21.940 12.847 36.371 1.00 17.05 H new ATOM 680 N SER A 90 21.766 16.851 39.960 1.00 7.61 N ATOM 681 CA SER A 90 22.460 17.920 40.672 1.00 8.31 C ATOM 682 C SER A 90 22.853 17.424 42.096 1.00 7.21 C ATOM 683 O SER A 90 22.025 16.851 42.757 1.00 12.06 O ATOM 684 CB SER A 90 21.526 19.105 40.774 1.00 6.85 C ATOM 685 OG SER A 90 22.295 20.175 41.333 1.00 9.01 O ATOM 0 H SER A 90 20.933 16.993 39.801 1.00 7.61 H new ATOM 0 HA SER A 90 23.267 18.176 40.198 1.00 8.31 H new ATOM 0 HB2 SER A 90 21.178 19.348 39.902 1.00 6.85 H new ATOM 0 HB3 SER A 90 20.763 18.897 41.336 1.00 6.85 H new ATOM 0 HG SER A 90 21.937 20.434 42.047 1.00 9.01 H new ATOM 686 N LYS A 91 24.089 17.653 42.401 1.00 9.45 N ATOM 687 CA LYS A 91 24.723 17.233 43.621 1.00 10.29 C ATOM 688 C LYS A 91 25.838 18.188 44.028 1.00 7.47 C ATOM 689 O LYS A 91 26.892 18.188 43.417 1.00 11.28 O ATOM 690 CB LYS A 91 25.295 15.819 43.519 1.00 18.92 C ATOM 691 CG LYS A 91 25.869 15.284 44.841 1.00 20.20 C ATOM 692 CD LYS A 91 27.255 14.673 44.638 1.00 39.36 C ATOM 693 CE LYS A 91 28.369 15.704 44.739 1.00 50.73 C ATOM 694 NZ LYS A 91 28.910 16.163 43.417 1.00 22.85 N ATOM 0 H LYS A 91 24.620 18.082 41.878 1.00 9.45 H new ATOM 0 HA LYS A 91 24.028 17.239 44.298 1.00 10.29 H new ATOM 0 HB2 LYS A 91 24.598 15.219 43.213 1.00 18.92 H new ATOM 0 HB3 LYS A 91 25.993 15.810 42.846 1.00 18.92 H new ATOM 0 HG2 LYS A 91 25.923 16.005 45.488 1.00 20.20 H new ATOM 0 HG3 LYS A 91 25.270 14.616 45.209 1.00 20.20 H new ATOM 0 HD2 LYS A 91 27.399 13.980 45.301 1.00 39.36 H new ATOM 0 HD3 LYS A 91 27.292 14.246 43.768 1.00 39.36 H new ATOM 0 HE2 LYS A 91 28.038 16.475 45.226 1.00 50.73 H new ATOM 0 HE3 LYS A 91 29.096 15.329 45.261 1.00 50.73 H new ATOM 0 HZ1 LYS A 91 29.697 16.559 43.540 1.00 22.85 H new ATOM 0 HZ2 LYS A 91 29.012 15.462 42.878 1.00 22.85 H new ATOM 0 HZ3 LYS A 91 28.342 16.740 43.048 1.00 22.85 H new ATOM 695 N TYR A 92 25.583 18.952 45.095 1.00 7.89 N ATOM 696 CA TYR A 92 26.563 19.907 45.553 1.00 9.02 C ATOM 697 C TYR A 92 27.919 19.258 45.756 1.00 12.20 C ATOM 698 O TYR A 92 27.979 18.188 46.366 1.00 11.27 O ATOM 699 CB TYR A 92 26.052 20.557 46.875 1.00 9.14 C ATOM 700 CG TYR A 92 26.941 21.703 47.332 1.00 7.70 C ATOM 701 CD1 TYR A 92 26.790 23.002 46.925 1.00 8.36 C ATOM 702 CD2 TYR A 92 28.012 21.398 48.196 1.00 12.01 C ATOM 703 CE1 TYR A 92 27.649 23.996 47.383 1.00 6.83 C ATOM 704 CE2 TYR A 92 28.886 22.353 48.603 1.00 10.21 C ATOM 705 CZ TYR A 92 28.705 23.690 48.196 1.00 8.91 C ATOM 706 OH TYR A 92 29.549 24.645 48.705 1.00 11.81 O ATOM 0 H TYR A 92 24.856 18.926 45.554 1.00 7.89 H new ATOM 0 HA TYR A 92 26.678 20.592 44.876 1.00 9.02 H new ATOM 0 HB2 TYR A 92 25.148 20.883 46.745 1.00 9.14 H new ATOM 0 HB3 TYR A 92 26.013 19.883 47.571 1.00 9.14 H new ATOM 0 HD1 TYR A 92 26.105 23.222 46.336 1.00 8.36 H new ATOM 0 HD2 TYR A 92 28.122 20.524 48.493 1.00 12.01 H new ATOM 0 HE1 TYR A 92 27.503 24.880 47.133 1.00 6.83 H new ATOM 0 HE2 TYR A 92 29.603 22.126 49.150 1.00 10.21 H new ATOM 0 HH TYR A 92 29.483 25.348 48.250 1.00 11.81 H new ATOM 707 N PRO A 93 29.003 19.907 45.349 1.00 11.41 N ATOM 708 CA PRO A 93 29.123 21.207 44.739 1.00 9.89 C ATOM 709 C PRO A 93 28.940 21.245 43.214 1.00 11.72 C ATOM 710 O PRO A 93 29.060 22.276 42.604 1.00 15.63 O ATOM 711 CB PRO A 93 30.539 21.665 45.146 1.00 11.07 C ATOM 712 CG PRO A 93 31.368 20.328 45.095 1.00 16.33 C ATOM 713 CD PRO A 93 30.359 19.296 45.553 1.00 13.76 C ATOM 0 HA PRO A 93 28.408 21.787 45.044 1.00 9.89 H new ATOM 0 HB2 PRO A 93 30.891 22.330 44.534 1.00 11.07 H new ATOM 0 HB3 PRO A 93 30.548 22.061 46.032 1.00 11.07 H new ATOM 0 HG2 PRO A 93 31.695 20.140 44.201 1.00 16.33 H new ATOM 0 HG3 PRO A 93 32.141 20.361 45.680 1.00 16.33 H new ATOM 0 HD2 PRO A 93 30.448 18.476 45.043 1.00 13.76 H new ATOM 0 HD3 PRO A 93 30.498 19.067 46.485 1.00 13.76 H new ATOM 714 N ASN A 94 28.578 20.060 42.706 1.00 14.79 N ATOM 715 CA ASN A 94 28.351 19.946 41.231 1.00 14.36 C ATOM 716 C ASN A 94 26.874 20.137 40.926 1.00 8.14 C ATOM 717 O ASN A 94 26.151 19.181 40.621 1.00 13.86 O ATOM 718 CB ASN A 94 28.877 18.608 40.774 1.00 13.77 C ATOM 719 CG ASN A 94 30.369 18.494 41.130 1.00 17.54 C ATOM 720 OD1 ASN A 94 30.701 17.424 41.841 1.00 33.49 O flip ATOM 721 ND2 ASN A 94 31.122 19.411 40.723 1.00 26.25 N flip ATOM 0 H ASN A 94 28.460 19.339 43.159 1.00 14.79 H new ATOM 0 HA ASN A 94 28.827 20.637 40.745 1.00 14.36 H new ATOM 0 HB2 ASN A 94 28.378 17.892 41.197 1.00 13.77 H new ATOM 0 HB3 ASN A 94 28.755 18.512 39.817 1.00 13.77 H new ATOM 0 HD21 ASN A 94 30.797 20.063 40.266 1.00 26.25 H new ATOM 0 HD22 ASN A 94 31.963 19.388 40.901 1.00 26.25 H new ATOM 722 N CYS A 95 26.498 21.436 41.079 1.00 10.32 N ATOM 723 CA CYS A 95 25.081 21.818 40.875 1.00 8.96 C ATOM 724 C CYS A 95 24.763 21.703 39.401 1.00 8.85 C ATOM 725 O CYS A 95 25.651 22.200 38.639 1.00 14.86 O ATOM 726 CB CYS A 95 24.780 23.193 41.384 1.00 8.62 C ATOM 727 SG CYS A 95 25.249 23.308 43.163 1.00 9.45 S ATOM 0 H CYS A 95 27.026 22.080 41.291 1.00 10.32 H new ATOM 0 HA CYS A 95 24.519 21.215 41.387 1.00 8.96 H new ATOM 0 HB2 CYS A 95 25.268 23.853 40.868 1.00 8.62 H new ATOM 0 HB3 CYS A 95 23.836 23.389 41.275 1.00 8.62 H new ATOM 728 N ALA A 96 23.633 21.207 39.045 1.00 8.29 N ATOM 729 CA ALA A 96 23.300 21.054 37.622 1.00 10.63 C ATOM 730 C ALA A 96 21.899 21.550 37.368 1.00 8.93 C ATOM 731 O ALA A 96 20.996 21.283 38.181 1.00 9.06 O ATOM 732 CB ALA A 96 23.420 19.602 37.215 1.00 11.27 C ATOM 0 H ALA A 96 23.023 20.943 39.591 1.00 8.29 H new ATOM 0 HA ALA A 96 23.921 21.579 37.093 1.00 10.63 H new ATOM 0 HB1 ALA A 96 23.199 19.510 36.275 1.00 11.27 H new ATOM 0 HB2 ALA A 96 24.329 19.298 37.364 1.00 11.27 H new ATOM 0 HB3 ALA A 96 22.809 19.066 37.745 1.00 11.27 H new ATOM 733 N TYR A 97 21.657 22.200 36.249 1.00 6.27 N ATOM 734 CA TYR A 97 20.436 22.773 35.893 1.00 5.84 C ATOM 735 C TYR A 97 19.952 22.582 34.470 1.00 4.88 C ATOM 736 O TYR A 97 20.810 22.429 33.605 1.00 8.86 O ATOM 737 CB TYR A 97 20.602 24.416 35.944 1.00 9.54 C ATOM 738 CG TYR A 97 20.950 24.760 37.418 1.00 6.46 C ATOM 739 CD1 TYR A 97 19.896 25.028 38.333 1.00 8.47 C ATOM 740 CD2 TYR A 97 22.246 24.836 37.825 1.00 5.39 C ATOM 741 CE1 TYR A 97 20.199 25.333 39.655 1.00 7.12 C ATOM 742 CE2 TYR A 97 22.564 25.142 39.198 1.00 8.41 C ATOM 743 CZ TYR A 97 21.525 25.371 40.062 1.00 7.71 C ATOM 744 OH TYR A 97 21.828 25.639 41.384 1.00 10.22 O ATOM 0 H TYR A 97 22.262 22.313 35.649 1.00 6.27 H new ATOM 0 HA TYR A 97 19.820 22.343 36.506 1.00 5.84 H new ATOM 0 HB2 TYR A 97 21.302 24.714 35.342 1.00 9.54 H new ATOM 0 HB3 TYR A 97 19.784 24.857 35.667 1.00 9.54 H new ATOM 0 HD1 TYR A 97 19.011 25.000 38.050 1.00 8.47 H new ATOM 0 HD2 TYR A 97 22.931 24.690 37.214 1.00 5.39 H new ATOM 0 HE1 TYR A 97 19.518 25.510 40.263 1.00 7.12 H new ATOM 0 HE2 TYR A 97 23.447 25.183 39.488 1.00 8.41 H new ATOM 0 HH TYR A 97 21.144 25.929 41.775 1.00 10.22 H new ATOM 745 N LYS A 98 18.657 22.620 34.368 1.00 6.54 N ATOM 746 CA LYS A 98 17.992 22.582 33.046 1.00 6.47 C ATOM 747 C LYS A 98 17.706 24.034 32.690 1.00 9.86 C ATOM 748 O LYS A 98 17.225 24.836 33.504 1.00 9.17 O ATOM 749 CB LYS A 98 16.727 21.780 33.148 1.00 11.12 C ATOM 750 CG LYS A 98 15.611 21.856 32.233 1.00 22.53 C ATOM 751 CD LYS A 98 15.821 22.085 30.809 1.00 33.49 C ATOM 752 CE LYS A 98 16.422 20.939 29.996 1.00 46.15 C ATOM 753 NZ LYS A 98 15.909 21.054 28.572 1.00 40.28 N ATOM 0 H LYS A 98 18.120 22.668 35.038 1.00 6.54 H new ATOM 0 HA LYS A 98 18.538 22.163 32.363 1.00 6.47 H new ATOM 0 HB2 LYS A 98 17.003 20.850 33.152 1.00 11.12 H new ATOM 0 HB3 LYS A 98 16.362 21.971 34.026 1.00 11.12 H new ATOM 0 HG2 LYS A 98 15.118 21.025 32.317 1.00 22.53 H new ATOM 0 HG3 LYS A 98 15.030 22.564 32.552 1.00 22.53 H new ATOM 0 HD2 LYS A 98 14.967 22.318 30.413 1.00 33.49 H new ATOM 0 HD3 LYS A 98 16.399 22.858 30.711 1.00 33.49 H new ATOM 0 HE2 LYS A 98 17.391 20.984 30.012 1.00 46.15 H new ATOM 0 HE3 LYS A 98 16.171 20.084 30.379 1.00 46.15 H new ATOM 0 HZ1 LYS A 98 16.248 20.394 28.080 1.00 40.28 H new ATOM 0 HZ2 LYS A 98 15.021 20.998 28.571 1.00 40.28 H new ATOM 0 HZ3 LYS A 98 16.157 21.837 28.229 1.00 40.28 H new ATOM 754 N THR A 99 18.066 24.378 31.470 1.00 8.40 N ATOM 755 CA THR A 99 17.870 25.715 30.911 1.00 10.00 C ATOM 756 C THR A 99 16.618 25.830 30.047 1.00 8.98 C ATOM 757 O THR A 99 16.467 24.989 29.131 1.00 9.42 O ATOM 758 CB THR A 99 19.134 26.021 29.996 1.00 5.91 C ATOM 759 OG1 THR A 99 20.280 25.983 30.809 1.00 8.06 O ATOM 760 CG2 THR A 99 18.968 27.397 29.335 1.00 7.73 C ATOM 0 H THR A 99 18.442 23.831 30.923 1.00 8.40 H new ATOM 0 HA THR A 99 17.765 26.340 31.645 1.00 10.00 H new ATOM 0 HB THR A 99 19.220 25.361 29.290 1.00 5.91 H new ATOM 0 HG1 THR A 99 20.837 25.445 30.484 1.00 8.06 H new ATOM 0 HG21 THR A 99 19.739 27.583 28.777 1.00 7.73 H new ATOM 0 HG22 THR A 99 18.166 27.399 28.789 1.00 7.73 H new ATOM 0 HG23 THR A 99 18.894 28.079 30.021 1.00 7.73 H new ATOM 761 N THR A 100 15.760 26.747 30.301 1.00 8.54 N ATOM 762 CA THR A 100 14.524 26.976 29.589 1.00 9.68 C ATOM 763 C THR A 100 14.463 28.505 29.182 1.00 14.87 C ATOM 764 O THR A 100 14.434 29.345 30.097 1.00 13.28 O ATOM 765 CB THR A 100 13.229 26.594 30.301 1.00 9.70 C ATOM 766 OG1 THR A 100 13.395 25.295 30.758 1.00 15.46 O ATOM 767 CG2 THR A 100 12.023 26.709 29.386 1.00 10.33 C ATOM 0 H THR A 100 15.876 27.308 30.943 1.00 8.54 H new ATOM 0 HA THR A 100 14.558 26.374 28.829 1.00 9.68 H new ATOM 0 HB THR A 100 13.056 27.202 31.037 1.00 9.70 H new ATOM 0 HG1 THR A 100 12.700 25.048 31.159 1.00 15.46 H new ATOM 0 HG21 THR A 100 11.222 26.459 29.873 1.00 10.33 H new ATOM 0 HG22 THR A 100 11.939 27.624 29.074 1.00 10.33 H new ATOM 0 HG23 THR A 100 12.136 26.118 28.625 1.00 10.33 H new ATOM 768 N GLN A 101 14.386 28.734 27.911 1.00 12.14 N ATOM 769 CA GLN A 101 14.326 30.148 27.403 1.00 7.08 C ATOM 770 C GLN A 101 12.909 30.415 26.996 1.00 12.66 C ATOM 771 O GLN A 101 12.246 29.498 26.386 1.00 12.58 O ATOM 772 CB GLN A 101 15.334 30.186 26.234 1.00 9.64 C ATOM 773 CG GLN A 101 15.227 31.523 25.471 1.00 13.11 C ATOM 774 CD GLN A 101 15.741 32.670 26.284 1.00 13.90 C ATOM 775 OE1 GLN A 101 16.736 32.555 26.996 1.00 12.19 O ATOM 776 NE2 GLN A 101 15.047 33.816 26.081 1.00 11.65 N ATOM 0 H GLN A 101 14.365 28.126 27.303 1.00 12.14 H new ATOM 0 HA GLN A 101 14.562 30.835 28.046 1.00 7.08 H new ATOM 0 HB2 GLN A 101 16.236 30.072 26.573 1.00 9.64 H new ATOM 0 HB3 GLN A 101 15.164 29.447 25.629 1.00 9.64 H new ATOM 0 HG2 GLN A 101 15.728 31.464 24.643 1.00 13.11 H new ATOM 0 HG3 GLN A 101 14.301 31.686 25.232 1.00 13.11 H new ATOM 0 HE21 GLN A 101 14.358 33.816 25.566 1.00 11.65 H new ATOM 0 HE22 GLN A 101 15.295 34.543 26.467 1.00 11.65 H new ATOM 777 N ALA A 102 12.427 31.600 27.301 1.00 9.34 N ATOM 778 CA ALA A 102 11.071 31.982 26.996 1.00 9.69 C ATOM 779 C ALA A 102 10.951 33.510 26.996 1.00 8.99 C ATOM 780 O ALA A 102 11.870 34.236 27.352 1.00 10.34 O ATOM 781 CB ALA A 102 10.123 31.409 28.064 1.00 13.22 C ATOM 0 H ALA A 102 12.884 32.212 27.696 1.00 9.34 H new ATOM 0 HA ALA A 102 10.833 31.635 26.122 1.00 9.69 H new ATOM 0 HB1 ALA A 102 9.211 31.666 27.859 1.00 13.22 H new ATOM 0 HB2 ALA A 102 10.192 30.441 28.072 1.00 13.22 H new ATOM 0 HB3 ALA A 102 10.368 31.758 28.935 1.00 13.22 H new ATOM 782 N ASN A 103 9.790 33.930 26.539 1.00 8.89 N ATOM 783 CA ASN A 103 9.444 35.344 26.488 1.00 8.00 C ATOM 784 C ASN A 103 8.134 35.459 27.352 1.00 14.29 C ATOM 785 O ASN A 103 7.124 34.962 26.894 1.00 13.03 O ATOM 786 CB ASN A 103 9.276 35.917 25.115 1.00 16.80 C ATOM 787 CG ASN A 103 10.662 35.956 24.403 1.00 41.36 C ATOM 788 OD1 ASN A 103 10.992 34.962 23.692 1.00 57.97 O ATOM 789 ND2 ASN A 103 11.400 37.025 24.657 1.00 47.58 N ATOM 0 H ASN A 103 9.174 33.406 26.247 1.00 8.89 H new ATOM 0 HA ASN A 103 10.177 35.878 26.833 1.00 8.00 H new ATOM 0 HB2 ASN A 103 8.652 35.380 24.603 1.00 16.80 H new ATOM 0 HB3 ASN A 103 8.903 36.811 25.169 1.00 16.80 H new ATOM 0 HD21 ASN A 103 12.190 37.091 24.325 1.00 47.58 H new ATOM 0 HD22 ASN A 103 11.089 37.654 25.154 1.00 47.58 H new ATOM 790 N LYS A 104 8.316 36.070 28.470 1.00 10.02 N ATOM 791 CA LYS A 104 7.217 36.185 29.436 1.00 9.73 C ATOM 792 C LYS A 104 7.218 37.522 30.148 1.00 6.19 C ATOM 793 O LYS A 104 8.257 38.248 30.097 1.00 8.50 O ATOM 794 CB LYS A 104 7.550 35.153 30.555 1.00 10.74 C ATOM 795 CG LYS A 104 7.640 33.701 30.047 1.00 15.50 C ATOM 796 CD LYS A 104 6.450 32.861 30.402 1.00 28.14 C ATOM 797 CE LYS A 104 6.557 32.249 31.775 1.00 35.54 C ATOM 798 NZ LYS A 104 6.481 30.759 31.623 1.00 36.76 N ATOM 0 H LYS A 104 9.056 36.434 28.714 1.00 10.02 H new ATOM 0 HA LYS A 104 6.374 36.061 28.972 1.00 9.73 H new ATOM 0 HB2 LYS A 104 8.393 35.396 30.968 1.00 10.74 H new ATOM 0 HB3 LYS A 104 6.870 35.205 31.245 1.00 10.74 H new ATOM 0 HG2 LYS A 104 7.743 33.710 29.082 1.00 15.50 H new ATOM 0 HG3 LYS A 104 8.438 33.288 30.413 1.00 15.50 H new ATOM 0 HD2 LYS A 104 5.649 33.406 30.357 1.00 28.14 H new ATOM 0 HD3 LYS A 104 6.350 32.155 29.744 1.00 28.14 H new ATOM 0 HE2 LYS A 104 7.392 32.505 32.197 1.00 35.54 H new ATOM 0 HE3 LYS A 104 5.841 32.569 32.346 1.00 35.54 H new ATOM 0 HZ1 LYS A 104 6.542 30.375 32.424 1.00 36.76 H new ATOM 0 HZ2 LYS A 104 5.705 30.538 31.247 1.00 36.76 H new ATOM 0 HZ3 LYS A 104 7.150 30.478 31.108 1.00 36.76 H new ATOM 799 N HIS A 105 6.074 37.828 30.758 1.00 7.93 N ATOM 800 CA HIS A 105 6.044 39.051 31.572 1.00 11.93 C ATOM 801 C HIS A 105 6.739 38.669 32.894 1.00 11.17 C ATOM 802 O HIS A 105 6.513 37.560 33.351 1.00 11.60 O ATOM 803 CB HIS A 105 4.644 39.471 31.928 1.00 10.26 C ATOM 804 CG HIS A 105 3.904 39.853 30.657 1.00 11.54 C ATOM 805 ND1 HIS A 105 3.693 41.076 30.148 1.00 15.80 N flip ATOM 806 CD2 HIS A 105 3.331 38.860 29.945 1.00 11.06 C flip ATOM 807 CE1 HIS A 105 2.908 40.808 29.030 1.00 16.29 C flip ATOM 808 NE2 HIS A 105 2.712 39.509 28.979 1.00 17.58 N flip ATOM 0 H HIS A 105 5.344 37.375 30.722 1.00 7.93 H new ATOM 0 HA HIS A 105 6.461 39.777 31.082 1.00 11.93 H new ATOM 0 HB2 HIS A 105 4.182 38.748 32.380 1.00 10.26 H new ATOM 0 HB3 HIS A 105 4.665 40.222 32.542 1.00 10.26 H new ATOM 0 HD1 HIS A 105 3.973 41.835 30.439 1.00 15.80 H new ATOM 0 HD2 HIS A 105 3.365 37.943 30.098 1.00 11.06 H new ATOM 0 HE1 HIS A 105 2.581 41.436 28.427 1.00 16.29 H new ATOM 809 N ILE A 106 7.477 39.586 33.453 1.00 7.66 N ATOM 810 CA ILE A 106 8.172 39.318 34.775 1.00 5.28 C ATOM 811 C ILE A 106 7.435 40.120 35.842 1.00 8.41 C ATOM 812 O ILE A 106 6.772 41.114 35.639 1.00 7.76 O ATOM 813 CB ILE A 106 9.603 39.700 34.724 1.00 9.08 C ATOM 814 CG1 ILE A 106 9.889 41.190 34.470 1.00 8.52 C ATOM 815 CG2 ILE A 106 10.295 38.898 33.605 1.00 6.61 C ATOM 816 CD1 ILE A 106 11.351 41.611 34.927 1.00 8.14 C ATOM 0 H ILE A 106 7.613 40.369 33.124 1.00 7.66 H new ATOM 0 HA ILE A 106 8.148 38.370 34.978 1.00 5.28 H new ATOM 0 HB ILE A 106 9.945 39.503 35.610 1.00 9.08 H new ATOM 0 HG12 ILE A 106 9.780 41.381 33.525 1.00 8.52 H new ATOM 0 HG13 ILE A 106 9.237 41.728 34.945 1.00 8.52 H new ATOM 0 HG21 ILE A 106 11.233 39.142 33.564 1.00 6.61 H new ATOM 0 HG22 ILE A 106 10.216 37.949 33.790 1.00 6.61 H new ATOM 0 HG23 ILE A 106 9.872 39.097 32.755 1.00 6.61 H new ATOM 0 HD11 ILE A 106 11.487 42.555 34.749 1.00 8.14 H new ATOM 0 HD12 ILE A 106 11.454 41.444 35.877 1.00 8.14 H new ATOM 0 HD13 ILE A 106 12.006 41.092 34.435 1.00 8.14 H new ATOM 817 N ILE A 107 7.557 39.586 37.062 1.00 8.55 N ATOM 818 CA ILE A 107 6.955 40.197 38.283 1.00 7.51 C ATOM 819 C ILE A 107 8.146 40.312 39.249 1.00 5.39 C ATOM 820 O ILE A 107 8.825 39.318 39.604 1.00 6.28 O ATOM 821 CB ILE A 107 5.841 39.395 38.893 1.00 7.19 C ATOM 822 CG1 ILE A 107 4.680 39.280 37.927 1.00 8.03 C ATOM 823 CG2 ILE A 107 5.345 40.082 40.164 1.00 8.73 C ATOM 824 CD1 ILE A 107 3.521 38.401 38.384 1.00 11.46 C ATOM 0 H ILE A 107 7.989 38.859 37.216 1.00 8.55 H new ATOM 0 HA ILE A 107 6.530 41.043 38.073 1.00 7.51 H new ATOM 0 HB ILE A 107 6.182 38.511 39.099 1.00 7.19 H new ATOM 0 HG12 ILE A 107 4.338 40.171 37.751 1.00 8.03 H new ATOM 0 HG13 ILE A 107 5.015 38.933 37.085 1.00 8.03 H new ATOM 0 HG21 ILE A 107 4.626 39.561 40.554 1.00 8.73 H new ATOM 0 HG22 ILE A 107 6.074 40.153 40.800 1.00 8.73 H new ATOM 0 HG23 ILE A 107 5.019 40.969 39.946 1.00 8.73 H new ATOM 0 HD11 ILE A 107 2.832 38.392 37.701 1.00 11.46 H new ATOM 0 HD12 ILE A 107 3.839 37.497 38.533 1.00 11.46 H new ATOM 0 HD13 ILE A 107 3.153 38.754 39.209 1.00 11.46 H new ATOM 825 N VAL A 108 8.418 41.534 39.655 1.00 7.36 N ATOM 826 CA VAL A 108 9.489 41.840 40.621 1.00 7.23 C ATOM 827 C VAL A 108 8.932 42.604 41.791 1.00 3.85 C ATOM 828 O VAL A 108 7.908 43.216 41.689 1.00 5.39 O ATOM 829 CB VAL A 108 10.633 42.642 39.910 1.00 7.63 C ATOM 830 CG1 VAL A 108 11.279 41.878 38.740 1.00 13.56 C ATOM 831 CG2 VAL A 108 10.120 43.980 39.401 1.00 8.97 C ATOM 0 H VAL A 108 7.989 42.228 39.383 1.00 7.36 H new ATOM 0 HA VAL A 108 9.863 41.011 40.959 1.00 7.23 H new ATOM 0 HB VAL A 108 11.316 42.777 40.586 1.00 7.63 H new ATOM 0 HG11 VAL A 108 11.976 42.423 38.343 1.00 13.56 H new ATOM 0 HG12 VAL A 108 11.664 41.050 39.067 1.00 13.56 H new ATOM 0 HG13 VAL A 108 10.605 41.679 38.072 1.00 13.56 H new ATOM 0 HG21 VAL A 108 10.842 44.459 38.965 1.00 8.97 H new ATOM 0 HG22 VAL A 108 9.402 43.831 38.766 1.00 8.97 H new ATOM 0 HG23 VAL A 108 9.788 44.504 40.147 1.00 8.97 H new ATOM 832 N ALA A 109 9.687 42.490 42.909 1.00 6.30 N ATOM 833 CA ALA A 109 9.372 43.292 44.078 1.00 5.84 C ATOM 834 C ALA A 109 10.396 44.438 44.078 1.00 7.10 C ATOM 835 O ALA A 109 11.586 44.247 43.824 1.00 6.84 O ATOM 836 CB ALA A 109 9.433 42.528 45.400 1.00 9.78 C ATOM 0 H ALA A 109 10.363 41.966 42.995 1.00 6.30 H new ATOM 0 HA ALA A 109 8.453 43.597 44.018 1.00 5.84 H new ATOM 0 HB1 ALA A 109 9.212 43.127 46.130 1.00 9.78 H new ATOM 0 HB2 ALA A 109 8.798 41.795 45.380 1.00 9.78 H new ATOM 0 HB3 ALA A 109 10.328 42.177 45.530 1.00 9.78 H new ATOM 837 N CYS A 110 9.839 45.661 44.333 1.00 8.98 N ATOM 838 CA CYS A 110 10.698 46.845 44.383 1.00 7.11 C ATOM 839 C CYS A 110 10.775 47.457 45.756 1.00 8.16 C ATOM 840 O CYS A 110 9.796 47.380 46.519 1.00 8.30 O ATOM 841 CB CYS A 110 10.094 47.877 43.367 1.00 11.41 C ATOM 842 SG CYS A 110 9.972 47.113 41.740 1.00 9.30 S ATOM 0 H CYS A 110 9.002 45.804 44.472 1.00 8.98 H new ATOM 0 HA CYS A 110 11.607 46.593 44.155 1.00 7.11 H new ATOM 0 HB2 CYS A 110 9.218 48.166 43.666 1.00 11.41 H new ATOM 0 HB3 CYS A 110 10.654 48.668 43.323 1.00 11.41 H new ATOM 843 N GLU A 111 11.890 48.106 45.959 1.00 7.55 N ATOM 844 CA GLU A 111 12.147 48.794 47.231 1.00 7.67 C ATOM 845 C GLU A 111 13.186 49.902 47.078 1.00 12.01 C ATOM 846 O GLU A 111 13.999 49.788 46.163 1.00 11.83 O ATOM 847 CB GLU A 111 12.721 47.915 48.349 1.00 10.74 C ATOM 848 CG GLU A 111 11.998 46.654 48.756 1.00 10.35 C ATOM 849 CD GLU A 111 12.692 45.737 49.773 1.00 11.90 C ATOM 850 OE1 GLU A 111 13.837 46.196 50.179 1.00 20.87 O ATOM 851 OE2 GLU A 111 12.240 44.706 50.078 1.00 16.63 O ATOM 0 H GLU A 111 12.524 48.171 45.382 1.00 7.55 H new ATOM 0 HA GLU A 111 11.262 49.112 47.470 1.00 7.67 H new ATOM 0 HB2 GLU A 111 13.619 47.661 48.086 1.00 10.74 H new ATOM 0 HB3 GLU A 111 12.803 48.470 49.140 1.00 10.74 H new ATOM 0 HG2 GLU A 111 11.136 46.908 49.121 1.00 10.35 H new ATOM 0 HG3 GLU A 111 11.825 46.136 47.954 1.00 10.35 H new ATOM 852 N GLY A 112 13.157 50.819 47.993 1.00 11.55 N ATOM 853 CA GLY A 112 14.152 51.889 48.095 1.00 9.84 C ATOM 854 C GLY A 112 13.895 53.150 47.332 1.00 5.45 C ATOM 855 O GLY A 112 12.855 53.418 46.773 1.00 11.37 O ATOM 0 H GLY A 112 12.549 50.856 48.600 1.00 11.55 H new ATOM 0 HA2 GLY A 112 14.247 52.121 49.032 1.00 9.84 H new ATOM 0 HA3 GLY A 112 15.006 51.532 47.804 1.00 9.84 H new ATOM 856 N ASN A 113 14.964 53.953 47.383 1.00 14.39 N ATOM 857 CA ASN A 113 14.964 55.252 46.671 1.00 14.15 C ATOM 858 C ASN A 113 16.409 55.404 46.163 1.00 15.06 C ATOM 859 O ASN A 113 17.359 55.596 46.925 1.00 21.93 O ATOM 860 CB ASN A 113 14.362 56.360 47.485 1.00 21.14 C ATOM 861 CG ASN A 113 14.693 57.697 46.773 1.00 30.27 C ATOM 862 OD1 ASN A 113 15.537 58.423 47.281 1.00 44.78 O ATOM 863 ND2 ASN A 113 13.953 57.926 45.705 1.00 34.21 N ATOM 0 H ASN A 113 15.687 53.775 47.813 1.00 14.39 H new ATOM 0 HA ASN A 113 14.370 55.296 45.905 1.00 14.15 H new ATOM 0 HB2 ASN A 113 13.402 56.243 47.562 1.00 21.14 H new ATOM 0 HB3 ASN A 113 14.722 56.355 48.386 1.00 21.14 H new ATOM 0 HD21 ASN A 113 14.036 58.666 45.275 1.00 34.21 H new ATOM 0 HD22 ASN A 113 13.387 57.335 45.439 1.00 34.21 H new ATOM 864 N PRO A 114 16.649 55.252 44.841 1.00 11.00 N ATOM 865 CA PRO A 114 15.654 54.984 43.824 1.00 8.80 C ATOM 866 C PRO A 114 14.946 53.647 44.078 1.00 6.38 C ATOM 867 O PRO A 114 15.534 52.730 44.638 1.00 12.58 O ATOM 868 CB PRO A 114 16.436 55.022 42.502 1.00 18.04 C ATOM 869 CG PRO A 114 17.852 55.328 42.807 1.00 21.92 C ATOM 870 CD PRO A 114 18.004 55.404 44.333 1.00 18.27 C ATOM 0 HA PRO A 114 14.933 55.633 43.817 1.00 8.80 H new ATOM 0 HB2 PRO A 114 16.366 54.170 42.043 1.00 18.04 H new ATOM 0 HB3 PRO A 114 16.065 55.695 41.909 1.00 18.04 H new ATOM 0 HG2 PRO A 114 18.433 54.642 42.442 1.00 21.92 H new ATOM 0 HG3 PRO A 114 18.113 56.168 42.398 1.00 21.92 H new ATOM 0 HD2 PRO A 114 18.587 54.703 44.665 1.00 18.27 H new ATOM 0 HD3 PRO A 114 18.392 56.250 44.608 1.00 18.27 H new ATOM 871 N TYR A 115 13.755 53.570 43.621 1.00 10.65 N ATOM 872 CA TYR A 115 12.867 52.386 43.773 1.00 10.29 C ATOM 873 C TYR A 115 13.197 51.431 42.655 1.00 10.88 C ATOM 874 O TYR A 115 12.759 51.622 41.486 1.00 12.30 O ATOM 875 CB TYR A 115 11.465 52.921 43.723 1.00 11.41 C ATOM 876 CG TYR A 115 10.336 52.004 44.180 1.00 9.53 C ATOM 877 CD1 TYR A 115 10.337 51.469 45.502 1.00 10.33 C ATOM 878 CD2 TYR A 115 9.251 51.736 43.367 1.00 9.14 C ATOM 879 CE1 TYR A 115 9.283 50.666 45.909 1.00 11.41 C ATOM 880 CE2 TYR A 115 8.196 50.972 43.773 1.00 10.92 C ATOM 881 CZ TYR A 115 8.213 50.437 45.044 1.00 12.99 C ATOM 882 OH TYR A 115 7.113 49.711 45.400 1.00 15.63 O ATOM 0 H TYR A 115 13.385 54.214 43.187 1.00 10.65 H new ATOM 0 HA TYR A 115 12.978 51.896 44.603 1.00 10.29 H new ATOM 0 HB2 TYR A 115 11.434 53.725 44.265 1.00 11.41 H new ATOM 0 HB3 TYR A 115 11.280 53.188 42.809 1.00 11.41 H new ATOM 0 HD1 TYR A 115 11.037 51.657 46.085 1.00 10.33 H new ATOM 0 HD2 TYR A 115 9.240 52.091 42.508 1.00 9.14 H new ATOM 0 HE1 TYR A 115 9.289 50.281 46.756 1.00 11.41 H new ATOM 0 HE2 TYR A 115 7.478 50.815 43.203 1.00 10.92 H new ATOM 0 HH TYR A 115 6.981 49.789 46.226 1.00 15.63 H new ATOM 883 N VAL A 116 13.860 50.361 43.062 1.00 9.36 N ATOM 884 CA VAL A 116 14.341 49.367 42.045 1.00 7.95 C ATOM 885 C VAL A 116 13.980 47.992 42.452 1.00 9.14 C ATOM 886 O VAL A 116 13.695 47.686 43.621 1.00 6.83 O ATOM 887 CB VAL A 116 15.863 49.558 41.892 1.00 7.25 C ATOM 888 CG1 VAL A 116 16.299 50.896 41.333 1.00 8.56 C ATOM 889 CG2 VAL A 116 16.617 49.329 43.214 1.00 11.39 C ATOM 0 H VAL A 116 14.047 50.175 43.881 1.00 9.36 H new ATOM 0 HA VAL A 116 13.915 49.512 41.186 1.00 7.95 H new ATOM 0 HB VAL A 116 16.095 48.880 41.238 1.00 7.25 H new ATOM 0 HG11 VAL A 116 17.267 50.922 41.274 1.00 8.56 H new ATOM 0 HG12 VAL A 116 15.918 51.017 40.449 1.00 8.56 H new ATOM 0 HG13 VAL A 116 15.992 51.607 41.917 1.00 8.56 H new ATOM 0 HG21 VAL A 116 17.568 49.459 43.071 1.00 11.39 H new ATOM 0 HG22 VAL A 116 16.301 49.959 43.880 1.00 11.39 H new ATOM 0 HG23 VAL A 116 16.458 48.424 43.525 1.00 11.39 H new ATOM 890 N PRO A 117 14.130 47.037 41.536 1.00 8.87 N ATOM 891 CA PRO A 117 13.889 45.623 41.740 1.00 6.26 C ATOM 892 C PRO A 117 14.914 45.088 42.757 1.00 6.63 C ATOM 893 O PRO A 117 16.150 45.241 42.655 1.00 7.63 O ATOM 894 CB PRO A 117 14.023 44.973 40.367 1.00 6.65 C ATOM 895 CG PRO A 117 13.736 46.119 39.401 1.00 11.08 C ATOM 896 CD PRO A 117 14.505 47.266 40.062 1.00 10.49 C ATOM 0 HA PRO A 117 13.011 45.430 42.103 1.00 6.26 H new ATOM 0 HB2 PRO A 117 14.910 44.605 40.231 1.00 6.65 H new ATOM 0 HB3 PRO A 117 13.393 44.244 40.254 1.00 6.65 H new ATOM 0 HG2 PRO A 117 14.057 45.932 38.505 1.00 11.08 H new ATOM 0 HG3 PRO A 117 12.787 46.308 39.329 1.00 11.08 H new ATOM 0 HD2 PRO A 117 15.461 47.206 39.910 1.00 10.49 H new ATOM 0 HD3 PRO A 117 14.221 48.136 39.739 1.00 10.49 H new ATOM 897 N VAL A 118 14.358 44.285 43.723 1.00 5.94 N ATOM 898 CA VAL A 118 15.203 43.636 44.739 1.00 8.28 C ATOM 899 C VAL A 118 14.886 42.146 44.790 1.00 5.72 C ATOM 900 O VAL A 118 15.655 41.381 45.451 1.00 10.23 O ATOM 901 CB VAL A 118 15.099 44.362 46.112 1.00 9.10 C ATOM 902 CG1 VAL A 118 15.731 45.776 46.010 1.00 8.30 C ATOM 903 CG2 VAL A 118 13.683 44.438 46.620 1.00 8.84 C ATOM 0 H VAL A 118 13.517 44.118 43.792 1.00 5.94 H new ATOM 0 HA VAL A 118 16.138 43.713 44.491 1.00 8.28 H new ATOM 0 HB VAL A 118 15.594 43.837 46.760 1.00 9.10 H new ATOM 0 HG11 VAL A 118 15.663 46.224 46.868 1.00 8.30 H new ATOM 0 HG12 VAL A 118 16.665 45.696 45.760 1.00 8.30 H new ATOM 0 HG13 VAL A 118 15.260 46.293 45.338 1.00 8.30 H new ATOM 0 HG21 VAL A 118 13.670 44.897 47.474 1.00 8.84 H new ATOM 0 HG22 VAL A 118 13.136 44.925 45.983 1.00 8.84 H new ATOM 0 HG23 VAL A 118 13.330 43.541 46.730 1.00 8.84 H new ATOM 904 N HIS A 119 13.831 41.687 44.180 1.00 5.05 N ATOM 905 CA HIS A 119 13.500 40.273 44.180 1.00 7.47 C ATOM 906 C HIS A 119 12.760 39.929 42.909 1.00 6.64 C ATOM 907 O HIS A 119 11.931 40.694 42.452 1.00 7.62 O ATOM 908 CB HIS A 119 12.703 39.891 45.451 1.00 13.30 C ATOM 909 CG HIS A 119 11.663 38.860 45.400 1.00 25.44 C ATOM 910 ND1 HIS A 119 11.950 37.522 45.654 1.00 35.13 N ATOM 911 CD2 HIS A 119 10.337 38.974 45.095 1.00 29.77 C ATOM 912 CE1 HIS A 119 10.820 36.873 45.502 1.00 19.11 C ATOM 913 NE2 HIS A 119 9.795 37.713 45.197 1.00 16.25 N ATOM 0 H HIS A 119 13.275 42.181 43.748 1.00 5.05 H new ATOM 0 HA HIS A 119 14.316 39.749 44.202 1.00 7.47 H new ATOM 0 HB2 HIS A 119 13.348 39.613 46.120 1.00 13.30 H new ATOM 0 HB3 HIS A 119 12.285 40.702 45.780 1.00 13.30 H new ATOM 0 HD2 HIS A 119 9.887 39.754 44.863 1.00 29.77 H new ATOM 0 HE1 HIS A 119 10.731 35.952 45.592 1.00 19.11 H new ATOM 0 HE2 HIS A 119 8.969 37.498 45.089 1.00 16.25 H new ATOM 914 N PHE A 120 13.016 38.707 42.452 1.00 7.30 N ATOM 915 CA PHE A 120 12.276 38.210 41.282 1.00 6.28 C ATOM 916 C PHE A 120 11.132 37.331 41.791 1.00 8.64 C ATOM 917 O PHE A 120 11.419 36.299 42.452 1.00 9.56 O ATOM 918 CB PHE A 120 13.270 37.408 40.367 1.00 6.11 C ATOM 919 CG PHE A 120 12.636 37.102 39.045 1.00 6.03 C ATOM 920 CD1 PHE A 120 11.762 36.032 38.944 1.00 6.99 C ATOM 921 CD2 PHE A 120 12.891 37.981 37.978 1.00 10.52 C ATOM 922 CE1 PHE A 120 11.128 35.765 37.723 1.00 9.18 C ATOM 923 CE2 PHE A 120 12.272 37.675 36.707 1.00 11.36 C ATOM 924 CZ PHE A 120 11.383 36.605 36.656 1.00 10.69 C ATOM 0 H PHE A 120 13.592 38.163 42.786 1.00 7.30 H new ATOM 0 HA PHE A 120 11.901 38.932 40.754 1.00 6.28 H new ATOM 0 HB2 PHE A 120 14.081 37.923 40.231 1.00 6.11 H new ATOM 0 HB3 PHE A 120 13.529 36.583 40.807 1.00 6.11 H new ATOM 0 HD1 PHE A 120 11.597 35.493 39.684 1.00 6.99 H new ATOM 0 HD2 PHE A 120 13.435 38.728 38.085 1.00 10.52 H new ATOM 0 HE1 PHE A 120 10.551 35.041 37.633 1.00 9.18 H new ATOM 0 HE2 PHE A 120 12.462 38.177 35.948 1.00 11.36 H new ATOM 0 HZ PHE A 120 10.934 36.446 35.857 1.00 10.69 H new ATOM 925 N ASP A 121 9.911 37.713 41.536 1.00 8.67 N ATOM 926 CA ASP A 121 8.752 36.987 42.096 1.00 6.22 C ATOM 927 C ASP A 121 8.269 35.879 41.181 1.00 9.76 C ATOM 928 O ASP A 121 7.968 34.771 41.689 1.00 12.25 O ATOM 929 CB ASP A 121 7.653 37.981 42.452 1.00 8.39 C ATOM 930 CG ASP A 121 6.750 37.408 43.570 1.00 12.60 C ATOM 931 OD1 ASP A 121 7.293 37.064 44.587 1.00 17.16 O ATOM 932 OD2 ASP A 121 5.529 37.331 43.316 1.00 9.63 O ATOM 0 H ASP A 121 9.708 38.388 41.043 1.00 8.67 H new ATOM 0 HA ASP A 121 9.030 36.539 42.910 1.00 6.22 H new ATOM 0 HB2 ASP A 121 8.048 38.818 42.744 1.00 8.39 H new ATOM 0 HB3 ASP A 121 7.120 38.178 41.666 1.00 8.39 H new ATOM 933 N ALA A 122 8.072 36.147 39.910 1.00 9.66 N ATOM 934 CA ALA A 122 7.498 35.153 38.994 1.00 8.40 C ATOM 935 C ALA A 122 7.557 35.688 37.571 1.00 9.41 C ATOM 936 O ALA A 122 7.903 36.834 37.317 1.00 10.11 O ATOM 937 CB ALA A 122 6.022 35.077 39.401 1.00 13.51 C ATOM 0 H ALA A 122 8.261 36.901 39.543 1.00 9.66 H new ATOM 0 HA ALA A 122 7.962 34.302 39.034 1.00 8.40 H new ATOM 0 HB1 ALA A 122 5.563 34.434 38.838 1.00 13.51 H new ATOM 0 HB2 ALA A 122 5.956 34.799 40.328 1.00 13.51 H new ATOM 0 HB3 ALA A 122 5.612 35.950 39.295 1.00 13.51 H new ATOM 938 N SER A 123 7.255 34.771 36.656 1.00 12.61 N ATOM 939 CA SER A 123 7.163 35.115 35.232 1.00 11.81 C ATOM 940 C SER A 123 5.731 34.618 34.876 1.00 12.67 C ATOM 941 O SER A 123 5.325 33.587 35.436 1.00 16.16 O ATOM 942 CB SER A 123 8.262 34.542 34.368 1.00 15.20 C ATOM 943 OG SER A 123 8.322 33.128 34.368 1.00 20.04 O ATOM 0 H SER A 123 7.099 33.944 36.835 1.00 12.61 H new ATOM 0 HA SER A 123 7.294 36.061 35.060 1.00 11.81 H new ATOM 0 HB2 SER A 123 8.137 34.850 33.457 1.00 15.20 H new ATOM 0 HB3 SER A 123 9.114 34.892 34.672 1.00 15.20 H new ATOM 0 HG SER A 123 8.949 32.874 33.870 1.00 20.04 H new ATOM 944 N VAL A 124 5.083 35.421 34.012 1.00 13.84 N ATOM 945 CA VAL A 124 3.696 34.962 33.707 1.00 10.66 C ATOM 946 C VAL A 124 3.514 35.115 32.182 1.00 14.48 C ATOM 947 O VAL A 124 2.474 34.580 31.724 1.00 20.20 O ATOM 948 CB VAL A 124 2.658 35.688 34.571 1.00 18.84 C ATOM 949 CG1 VAL A 124 2.825 35.306 36.046 1.00 16.35 C ATOM 950 CG2 VAL A 124 2.688 37.178 34.368 1.00 18.46 C ATOM 951 OXT VAL A 124 4.236 35.956 31.572 1.00 16.00 O ATOM 0 H VAL A 124 5.369 36.138 33.634 1.00 13.84 H new ATOM 0 HA VAL A 124 3.554 34.031 33.940 1.00 10.66 H new ATOM 0 HB VAL A 124 1.779 35.396 34.283 1.00 18.84 H new ATOM 0 HG11 VAL A 124 2.162 35.773 36.578 1.00 16.35 H new ATOM 0 HG12 VAL A 124 2.705 34.349 36.148 1.00 16.35 H new ATOM 0 HG13 VAL A 124 3.713 35.554 36.346 1.00 16.35 H new ATOM 0 HG21 VAL A 124 2.018 37.595 34.932 1.00 18.46 H new ATOM 0 HG22 VAL A 124 3.565 37.519 34.603 1.00 18.46 H new ATOM 0 HG23 VAL A 124 2.500 37.382 33.438 1.00 18.46 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