USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE(NUCLEIC ACID,RNA) 02-MAR-93 1RAS TITLE CRYSTAL STRUCTURE OF A FLUORESCENT DERIVATIVE OF RNASE A 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 S.BAUDET-NESSLER,M.JULLIEN,M.-P.CROSIO,J.JANIN REVDAT 2 24-FEB-09 1RAS 1 VERSN REVDAT 1 31-OCT-93 1RAS 0 JRNL AUTH S.BAUDET-NESSLER,M.JULLIEN,M.P.CROSIO,J.JANIN JRNL TITL CRYSTAL STRUCTURE OF A FLUORESCENT DERIVATIVE OF JRNL TITL 2 RNASE A. JRNL REF BIOCHEMISTRY V. 32 8457 1993 JRNL REFN ISSN 0006-2960 JRNL PMID 8357795 JRNL DOI 10.1021/BI00084A010 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.JULLIEN,J.-R.GAREL REMARK 1 TITL FLUORESCENT PROBE OF RIBONUCLEASE A CONFORMATION REMARK 1 REF BIOCHEMISTRY V. 20 7021 1981 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. 1.70 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) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL 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) : 0.203 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 : 942 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 21 REMARK 3 SOLVENT ATOMS : 100 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) : 0.011 ; NULL REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL 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) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL 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: REFINEMENT WAS STARTED FROM THE REMARK 3 ISOMORPHOUS STRUCTURE OF THE SEMISYNTHETIC (1-118:111- REMARK 3 124(D121A)). REMARK 4 REMARK 4 1RAS 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 (%): 57.99 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.93 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CSCL WAS WASHED OUT IN 80% REMARK 280 AMMONIUM SULFATE BEFORE DATA COLLECTION. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 43.34667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 21.67333 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 21.67333 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 43.34667 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: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OD2 ASP A 83 O HOH A 223 2.01 REMARK 500 O HOH A 177 O HOH A 194 2.05 REMARK 500 O HOH A 159 O HOH A 172 2.11 REMARK 500 O HOH A 168 O HOH A 188 2.15 REMARK 500 OD2 ASP A 121 O HOH A 210 2.16 REMARK 500 NZ LYS A 41 O HOH A 193 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 CE LYS A 104 CE LYS A 104 4556 1.95 REMARK 500 N GLU A 2 O HOH A 212 6655 2.03 REMARK 500 O HOH A 165 O HOH A 216 2654 2.05 REMARK 500 O HOH A 217 O HOH A 165 3665 2.10 REMARK 500 OD2 ASP A 83 O HOH A 221 4556 2.12 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 38 CB - CG - OD2 ANGL. DEV. = -5.6 DEGREES REMARK 500 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 GLN A 69 CB - CA - C ANGL. DEV. = 12.2 DEGREES REMARK 500 ARG A 85 NE - CZ - NH1 ANGL. DEV. = 6.1 DEGREES REMARK 500 ARG A 85 NE - CZ - NH2 ANGL. DEV. = -7.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS A 48 69.64 -104.96 REMARK 500 GLN A 60 -142.30 -94.72 REMARK 500 ALA A 122 -175.76 -175.96 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 197 DISTANCE = 6.77 ANGSTROMS REMARK 600 REMARK 600 HETEROGEN REMARK 600 REMARK 600 THE FLUORESCENT LABEL AEDANS AND 99 WATER MOLECULES WERE REMARK 600 ADDED TO THE MODEL. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AEN A 125 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4SRN RELATED DB: PDB DBREF 1RAS A 2 124 UNP P61823 RNAS1_BOVIN 28 150 SEQRES 1 A 123 GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET ASP SEQRES 2 A 123 SER SER THR SER ALA ALA SER SER SER ASN TYR CYS ASN SEQRES 3 A 123 GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG CYS SEQRES 4 A 123 LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA ASP SEQRES 5 A 123 VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS LYS SEQRES 6 A 123 ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR MET SEQRES 7 A 123 SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS TYR SEQRES 8 A 123 PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS HIS SEQRES 9 A 123 ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO VAL SEQRES 10 A 123 HIS PHE ASP ALA SER VAL HET AEN A 125 21 HETNAM AEN 5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE FORMUL 2 AEN C14 H16 N2 O4 S FORMUL 3 HOH *100(H2 O) 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 4 VAL A 116 VAL A 124 0 SHEET 2 A 4 TYR A 97 GLU A 111 -1 N HIS A 105 O VAL A 124 SHEET 3 A 4 CYS A 72 GLN A 74 -1 O TYR A 73 N VAL A 108 SHEET 4 A 4 LYS A 61 VAL A 63 -1 O LYS A 61 N GLN A 74 SHEET 1 B 4 VAL A 116 VAL A 124 0 SHEET 2 B 4 TYR A 97 GLU A 111 -1 N HIS A 105 O VAL A 124 SHEET 3 B 4 MET A 79 GLU A 86 -1 N MET A 79 O LYS A 104 SHEET 4 B 4 VAL A 43 VAL A 47 -1 N ASN A 44 O CYS A 84 SSBOND *** CYS A 26 CYS A 84 1555 1555 2.01 SSBOND *** CYS A 40 CYS A 95 1555 1555 2.00 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.05 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.05 LINK NE2 HIS A 12 C1' AEN A 125 1555 1555 1.51 CISPEP 1 TYR A 92 PRO A 93 0 1.40 CISPEP 2 ASN A 113 PRO A 114 0 -0.19 SITE *** AC1 7 GLN A 11 HIS A 12 ASN A 67 VAL A 118 SITE *** AC1 7 HIS A 119 PHE A 120 HOH A 161 CRYST1 65.100 65.100 65.020 90.00 90.00 120.00 P 32 2 1 6 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 0.015361 0.008869 0.000000 0.00000 SCALE2 0.000000 0.017737 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015380 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 NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 125 AEN C1' :(H bumps) USER MOD NoAdj-H: A 125 AENH1'2 : A 125 AEN C1' : A 12 HIS NE2 :(H bumps) USER MOD Set 1.1: A 67 ASN : amide:sc= -2.76! C(o=-2.8!,f=-16!) USER MOD Set 1.2: A 125 AEN O3S : rot 150:sc= 0 USER MOD Set 2.1: A 104 LYS NZ :NH3+ 178:sc= 1.11 (180deg=0) USER MOD Set 2.2: A 123 SER OG : rot 180:sc= 1.04 USER MOD Set 3.1: A 73 TYR OH : rot -171:sc= 0.3 USER MOD Set 3.2: A 115 TYR OH : rot -1:sc= 1.79 USER MOD Set 4.1: A 30 MET CE :methyl -127:sc= -0.635 (180deg=-1.39) USER MOD Set 4.2: A 97 TYR OH : rot 153:sc= 1.13 USER MOD Set 5.1: A 17 THR OG1 : rot 52:sc= 0.656 USER MOD Set 5.2: A 25 TYR OH : rot -166:sc= 1.27 USER MOD Set 5.3: A 48 HIS : no HD1:sc= 1.28 K(o=5.5,f=-4.2!) USER MOD Set 5.4: A 80 SER OG : rot 175:sc= 1.7 USER MOD Set 5.5: A 82 THR OG1 : rot -44:sc= 1.08 USER MOD Set 5.6: A 101 GLN : amide:sc= -0.463! C(o=5.5!,f=0.94!) USER MOD Set 6.1: A 21 SER OG : rot 141:sc= 0.502 USER MOD Set 6.2: A 22 SER OG : rot 180:sc= 0.0767 USER MOD Set 7.1: A 11 GLN : amide:sc= 0.621 K(o=3.9,f=-1.5!) USER MOD Set 7.2: A 41 LYS NZ :NH3+ -109:sc= 1.21 (180deg=0) USER MOD Set 7.3: A 44 ASN : amide:sc= 2.11 K(o=3.9,f=-6.1!) USER MOD Single : A 3 THR OG1 : rot 175:sc= 0.189 USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00963) USER MOD Single : A 13 MET CE :methyl -159:sc= -0.361 (180deg=-1.38) USER MOD Single : A 15 SER OG : rot -90:sc= 1.26 USER MOD Single : A 16 SER OG : rot -64:sc= 1.35 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.011) USER MOD Single : A 27 ASN : amide:sc= 0.502 K(o=0.5,f=-6.1!) USER MOD Single : A 28 GLN : amide:sc= 1.23 K(o=1.2,f=-1.2) USER MOD Single : A 29 MET CE :methyl -159:sc= -0.497 (180deg=-1.64!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -142:sc= 2.02 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 36 THR OG1 : rot -49:sc= -0.0293 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0918 USER MOD Single : A 55 GLN : amide:sc= -1.05! K(o=-1!,f=0.46) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 1.52 K(o=1.5,f=-3.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.419 X(o=0.42,f=-0.01) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.14) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.633 K(o=0.63,f=-4.5!) USER MOD Single : A 74 GLN : amide:sc= 0.58 X(o=0.58,f=0.62) USER MOD Single : A 75 SER OG : rot 91:sc= 1.33 USER MOD Single : A 76 TYR OH : rot -166:sc= 1.68 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 18:sc= 0.157 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 -113:sc= 0.944 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 15:sc= 1.3 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 0.869 (180deg=0.867) USER MOD Single : A 99 THR OG1 : rot -69:sc= 0.979 USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.619 USER MOD Single : A 103 ASN : amide:sc= -0.0676 K(o=-0.068,f=0.62) USER MOD Single : A 105 HIS : no HD1:sc= -0.437 K(o=-0.44,f=0.88) USER MOD Single : A 113 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.58) USER MOD Single : A 119 HIS : no HD1:sc= -7.01! K(o=-7!,f=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 23.678 1.440 22.292 1.00 19.77 N ATOM 2 CA GLU A 2 24.340 2.664 22.765 1.00 19.12 C ATOM 3 C GLU A 2 24.334 2.657 24.293 1.00 18.57 C ATOM 4 O GLU A 2 23.258 2.401 24.893 1.00 18.82 O ATOM 5 CB GLU A 2 23.568 3.902 22.291 1.00 19.98 C ATOM 6 CG GLU A 2 24.308 5.169 21.974 1.00 20.52 C ATOM 7 CD GLU A 2 23.572 6.308 21.309 1.00 20.58 C ATOM 8 OE1 GLU A 2 22.325 6.218 21.372 1.00 20.24 O ATOM 9 OE2 GLU A 2 24.160 7.213 20.744 1.00 20.58 O ATOM 0 HA GLU A 2 25.245 2.693 22.416 1.00 19.12 H new ATOM 0 HB2 GLU A 2 23.076 3.648 21.495 1.00 19.98 H new ATOM 0 HB3 GLU A 2 22.913 4.113 22.974 1.00 19.98 H new ATOM 0 HG2 GLU A 2 24.678 5.506 22.805 1.00 20.52 H new ATOM 0 HG3 GLU A 2 25.057 4.934 21.405 1.00 20.52 H new ATOM 10 N THR A 3 25.478 2.938 24.896 1.00 17.28 N ATOM 11 CA THR A 3 25.593 2.972 26.360 1.00 16.32 C ATOM 12 C THR A 3 24.870 4.231 26.853 1.00 15.42 C ATOM 13 O THR A 3 24.704 5.149 26.046 1.00 13.98 O ATOM 14 CB THR A 3 27.095 2.917 26.794 1.00 16.96 C ATOM 15 OG1 THR A 3 27.605 4.238 26.429 1.00 18.11 O ATOM 16 CG2 THR A 3 27.939 1.806 26.136 1.00 17.16 C ATOM 0 H THR A 3 26.209 3.114 24.479 1.00 17.28 H new ATOM 0 HA THR A 3 25.175 2.196 26.765 1.00 16.32 H new ATOM 0 HB THR A 3 27.159 2.701 27.738 1.00 16.96 H new ATOM 0 HG1 THR A 3 28.398 4.315 26.694 1.00 18.11 H new ATOM 0 HG21 THR A 3 28.850 1.853 26.466 1.00 17.16 H new ATOM 0 HG22 THR A 3 27.561 0.940 26.354 1.00 17.16 H new ATOM 0 HG23 THR A 3 27.938 1.926 25.173 1.00 17.16 H new ATOM 17 N ALA A 4 24.489 4.236 28.103 1.00 15.46 N ATOM 18 CA ALA A 4 23.785 5.395 28.669 1.00 16.01 C ATOM 19 C ALA A 4 24.628 6.657 28.491 1.00 16.00 C ATOM 20 O ALA A 4 24.053 7.670 28.049 1.00 15.95 O ATOM 21 CB ALA A 4 23.374 5.240 30.127 1.00 16.48 C ATOM 0 H ALA A 4 24.620 3.588 28.654 1.00 15.46 H new ATOM 0 HA ALA A 4 22.955 5.466 28.172 1.00 16.01 H new ATOM 0 HB1 ALA A 4 22.918 6.044 30.422 1.00 16.48 H new ATOM 0 HB2 ALA A 4 22.779 4.480 30.216 1.00 16.48 H new ATOM 0 HB3 ALA A 4 24.163 5.098 30.673 1.00 16.48 H new ATOM 22 N ALA A 5 25.905 6.595 28.835 1.00 15.57 N ATOM 23 CA ALA A 5 26.770 7.785 28.695 1.00 15.40 C ATOM 24 C ALA A 5 26.865 8.250 27.258 1.00 15.08 C ATOM 25 O ALA A 5 26.813 9.473 26.985 1.00 15.55 O ATOM 26 CB ALA A 5 28.134 7.479 29.294 1.00 15.90 C ATOM 0 H ALA A 5 26.295 5.895 29.146 1.00 15.57 H new ATOM 0 HA ALA A 5 26.374 8.524 29.182 1.00 15.40 H new ATOM 0 HB1 ALA A 5 28.708 8.256 29.206 1.00 15.90 H new ATOM 0 HB2 ALA A 5 28.033 7.257 30.233 1.00 15.90 H new ATOM 0 HB3 ALA A 5 28.532 6.729 28.826 1.00 15.90 H new ATOM 27 N ALA A 6 26.988 7.364 26.284 1.00 14.26 N ATOM 28 CA ALA A 6 27.092 7.712 24.876 1.00 14.02 C ATOM 29 C ALA A 6 25.821 8.376 24.345 1.00 14.22 C ATOM 30 O ALA A 6 25.891 9.282 23.495 1.00 14.22 O ATOM 31 CB ALA A 6 27.472 6.507 24.031 1.00 13.65 C ATOM 0 H ALA A 6 27.014 6.516 26.427 1.00 14.26 H new ATOM 0 HA ALA A 6 27.805 8.365 24.805 1.00 14.02 H new ATOM 0 HB1 ALA A 6 27.533 6.771 23.100 1.00 13.65 H new ATOM 0 HB2 ALA A 6 28.329 6.162 24.326 1.00 13.65 H new ATOM 0 HB3 ALA A 6 26.796 5.818 24.128 1.00 13.65 H new ATOM 32 N LYS A 7 24.678 7.898 24.791 1.00 14.31 N ATOM 33 CA LYS A 7 23.389 8.450 24.323 1.00 14.45 C ATOM 34 C LYS A 7 23.295 9.897 24.819 1.00 13.57 C ATOM 35 O LYS A 7 22.881 10.794 24.072 1.00 13.80 O ATOM 36 CB LYS A 7 22.217 7.580 24.767 1.00 15.92 C ATOM 37 CG LYS A 7 20.868 8.041 24.208 1.00 17.67 C ATOM 38 CD LYS A 7 19.716 7.126 24.532 1.00 20.07 C ATOM 39 CE LYS A 7 19.545 5.971 23.554 1.00 21.90 C ATOM 40 NZ LYS A 7 20.193 4.737 24.058 1.00 23.95 N ATOM 0 H LYS A 7 24.610 7.258 25.362 1.00 14.31 H new ATOM 0 HA LYS A 7 23.345 8.449 23.354 1.00 14.45 H new ATOM 0 HB2 LYS A 7 22.379 6.665 24.488 1.00 15.92 H new ATOM 0 HB3 LYS A 7 22.174 7.578 25.736 1.00 15.92 H new ATOM 0 HG2 LYS A 7 20.672 8.926 24.554 1.00 17.67 H new ATOM 0 HG3 LYS A 7 20.940 8.123 23.244 1.00 17.67 H new ATOM 0 HD2 LYS A 7 19.842 6.766 25.424 1.00 20.07 H new ATOM 0 HD3 LYS A 7 18.897 7.646 24.550 1.00 20.07 H new ATOM 0 HE2 LYS A 7 18.600 5.806 23.407 1.00 21.90 H new ATOM 0 HE3 LYS A 7 19.927 6.212 22.696 1.00 21.90 H new ATOM 0 HZ1 LYS A 7 20.442 4.230 23.370 1.00 23.95 H new ATOM 0 HZ2 LYS A 7 20.908 4.953 24.541 1.00 23.95 H new ATOM 0 HZ3 LYS A 7 19.618 4.286 24.566 1.00 23.95 H new ATOM 41 N PHE A 8 23.673 10.128 26.066 1.00 13.16 N ATOM 42 CA PHE A 8 23.660 11.486 26.646 1.00 13.14 C ATOM 43 C PHE A 8 24.538 12.410 25.797 1.00 13.37 C ATOM 44 O PHE A 8 24.169 13.567 25.479 1.00 13.47 O ATOM 45 CB PHE A 8 24.170 11.540 28.091 1.00 13.18 C ATOM 46 CG PHE A 8 24.301 12.932 28.661 1.00 13.84 C ATOM 47 CD1 PHE A 8 23.165 13.553 29.198 1.00 13.95 C ATOM 48 CD2 PHE A 8 25.498 13.621 28.649 1.00 13.83 C ATOM 49 CE1 PHE A 8 23.231 14.829 29.732 1.00 14.40 C ATOM 50 CE2 PHE A 8 25.606 14.909 29.161 1.00 14.27 C ATOM 51 CZ PHE A 8 24.452 15.519 29.704 1.00 14.60 C ATOM 0 H PHE A 8 23.944 9.515 26.605 1.00 13.16 H new ATOM 0 HA PHE A 8 22.733 11.771 26.651 1.00 13.14 H new ATOM 0 HB2 PHE A 8 23.567 11.029 28.653 1.00 13.18 H new ATOM 0 HB3 PHE A 8 25.035 11.104 28.132 1.00 13.18 H new ATOM 0 HD1 PHE A 8 22.353 13.100 29.196 1.00 13.95 H new ATOM 0 HD2 PHE A 8 26.252 13.212 28.289 1.00 13.83 H new ATOM 0 HE1 PHE A 8 22.476 15.223 30.104 1.00 14.40 H new ATOM 0 HE2 PHE A 8 26.420 15.359 29.147 1.00 14.27 H new ATOM 0 HZ PHE A 8 24.503 16.383 30.045 1.00 14.60 H new ATOM 52 N GLU A 9 25.754 11.943 25.526 1.00 13.46 N ATOM 53 CA GLU A 9 26.720 12.763 24.748 1.00 13.71 C ATOM 54 C GLU A 9 26.192 13.145 23.388 1.00 14.05 C ATOM 55 O GLU A 9 26.228 14.306 22.947 1.00 13.68 O ATOM 56 CB GLU A 9 28.037 12.020 24.645 1.00 14.12 C ATOM 57 CG GLU A 9 28.775 11.897 25.997 1.00 15.20 C ATOM 58 CD GLU A 9 29.921 10.901 25.939 1.00 16.62 C ATOM 59 OE1 GLU A 9 29.986 10.242 24.885 1.00 17.06 O ATOM 60 OE2 GLU A 9 30.706 10.721 26.844 1.00 17.41 O ATOM 0 H GLU A 9 26.047 11.173 25.772 1.00 13.46 H new ATOM 0 HA GLU A 9 26.859 13.598 25.221 1.00 13.71 H new ATOM 0 HB2 GLU A 9 27.874 11.132 24.291 1.00 14.12 H new ATOM 0 HB3 GLU A 9 28.611 12.477 24.011 1.00 14.12 H new ATOM 0 HG2 GLU A 9 29.118 12.767 26.256 1.00 15.20 H new ATOM 0 HG3 GLU A 9 28.146 11.624 26.683 1.00 15.20 H new ATOM 61 N ARG A 10 25.649 12.168 22.672 1.00 13.76 N ATOM 62 CA ARG A 10 25.104 12.368 21.341 1.00 13.81 C ATOM 63 C ARG A 10 23.923 13.343 21.406 1.00 13.71 C ATOM 64 O ARG A 10 23.869 14.261 20.552 1.00 13.94 O ATOM 65 CB ARG A 10 24.646 11.043 20.712 1.00 13.95 C ATOM 66 CG ARG A 10 24.085 11.229 19.307 1.00 14.32 C ATOM 67 CD ARG A 10 23.637 9.936 18.720 1.00 15.22 C ATOM 68 NE ARG A 10 22.687 9.108 19.441 1.00 15.60 N ATOM 69 CZ ARG A 10 21.353 9.132 19.490 1.00 15.19 C ATOM 70 NH1 ARG A 10 20.641 10.047 18.830 1.00 14.99 N ATOM 71 NH2 ARG A 10 20.711 8.221 20.234 1.00 15.92 N ATOM 0 H ARG A 10 25.587 11.357 22.953 1.00 13.76 H new ATOM 0 HA ARG A 10 25.807 12.737 20.784 1.00 13.81 H new ATOM 0 HB2 ARG A 10 25.395 10.428 20.679 1.00 13.95 H new ATOM 0 HB3 ARG A 10 23.970 10.637 21.276 1.00 13.95 H new ATOM 0 HG2 ARG A 10 23.339 11.848 19.335 1.00 14.32 H new ATOM 0 HG3 ARG A 10 24.762 11.626 18.737 1.00 14.32 H new ATOM 0 HD2 ARG A 10 23.251 10.131 17.852 1.00 15.22 H new ATOM 0 HD3 ARG A 10 24.429 9.399 18.564 1.00 15.22 H new ATOM 0 HE ARG A 10 23.048 8.493 19.922 1.00 15.60 H new ATOM 0 HH11 ARG A 10 21.041 10.643 18.356 1.00 14.99 H new ATOM 0 HH12 ARG A 10 19.782 10.041 18.878 1.00 14.99 H new ATOM 0 HH21 ARG A 10 21.158 7.631 20.672 1.00 15.92 H new ATOM 0 HH22 ARG A 10 19.852 8.226 20.274 1.00 15.92 H new ATOM 72 N GLN A 11 23.043 13.126 22.364 1.00 13.10 N ATOM 73 CA GLN A 11 21.863 14.027 22.404 1.00 13.71 C ATOM 74 C GLN A 11 22.104 15.375 23.053 1.00 14.18 C ATOM 75 O GLN A 11 21.249 16.260 22.781 1.00 14.93 O ATOM 76 CB GLN A 11 20.691 13.296 23.092 1.00 14.14 C ATOM 77 CG GLN A 11 20.347 11.988 22.396 1.00 15.44 C ATOM 78 CD GLN A 11 19.065 11.399 22.947 1.00 16.89 C ATOM 79 OE1 GLN A 11 18.535 11.765 23.992 1.00 17.66 O ATOM 80 NE2 GLN A 11 18.492 10.444 22.223 1.00 17.75 N ATOM 0 H GLN A 11 23.084 12.515 22.968 1.00 13.10 H new ATOM 0 HA GLN A 11 21.651 14.235 21.480 1.00 13.71 H new ATOM 0 HB2 GLN A 11 20.921 13.118 24.017 1.00 14.14 H new ATOM 0 HB3 GLN A 11 19.911 13.872 23.099 1.00 14.14 H new ATOM 0 HG2 GLN A 11 20.253 12.140 21.443 1.00 15.44 H new ATOM 0 HG3 GLN A 11 21.073 11.356 22.512 1.00 15.44 H new ATOM 0 HE21 GLN A 11 18.857 10.182 21.490 1.00 17.75 H new ATOM 0 HE22 GLN A 11 17.756 10.087 22.487 1.00 17.75 H new ATOM 81 N HIS A 12 23.149 15.603 23.849 1.00 13.59 N ATOM 82 CA HIS A 12 23.285 16.912 24.507 1.00 13.50 C ATOM 83 C HIS A 12 24.584 17.670 24.423 1.00 14.16 C ATOM 84 O HIS A 12 24.623 18.851 24.886 1.00 14.64 O ATOM 85 CB HIS A 12 22.951 16.678 26.048 1.00 13.11 C ATOM 86 CG HIS A 12 21.523 16.219 26.141 1.00 13.39 C ATOM 87 ND1 HIS A 12 20.448 17.058 25.967 1.00 13.50 N ATOM 88 CD2 HIS A 12 20.981 14.990 26.322 1.00 13.26 C ATOM 89 CE1 HIS A 12 19.313 16.399 26.063 1.00 13.67 C ATOM 90 NE2 HIS A 12 19.589 15.107 26.285 1.00 14.52 N ATOM 0 H HIS A 12 23.773 15.037 24.020 1.00 13.59 H new ATOM 0 HA HIS A 12 22.682 17.485 24.008 1.00 13.50 H new ATOM 0 HB2 HIS A 12 23.547 16.014 26.429 1.00 13.11 H new ATOM 0 HB3 HIS A 12 23.079 17.497 26.552 1.00 13.11 H new ATOM 0 HD1 HIS A 12 20.509 17.902 25.815 1.00 13.50 H new ATOM 0 HD2 HIS A 12 21.456 14.201 26.450 1.00 13.26 H new ATOM 0 HE1 HIS A 12 18.463 16.768 25.989 1.00 13.67 H new ATOM 91 N MET A 13 25.648 17.078 23.898 1.00 13.19 N ATOM 92 CA MET A 13 26.927 17.771 23.852 1.00 13.94 C ATOM 93 C MET A 13 27.268 18.429 22.530 1.00 14.23 C ATOM 94 O MET A 13 27.178 17.767 21.519 1.00 14.98 O ATOM 95 CB MET A 13 28.062 16.829 24.249 1.00 14.30 C ATOM 96 CG MET A 13 27.992 16.310 25.658 1.00 14.89 C ATOM 97 SD MET A 13 28.154 17.624 26.935 1.00 15.30 S ATOM 98 CE MET A 13 29.570 18.502 26.252 1.00 15.63 C ATOM 0 H MET A 13 25.652 16.284 23.566 1.00 13.19 H new ATOM 0 HA MET A 13 26.829 18.495 24.490 1.00 13.94 H new ATOM 0 HB2 MET A 13 28.066 16.074 23.640 1.00 14.30 H new ATOM 0 HB3 MET A 13 28.906 17.293 24.131 1.00 14.30 H new ATOM 0 HG2 MET A 13 27.147 15.850 25.784 1.00 14.89 H new ATOM 0 HG3 MET A 13 28.695 15.654 25.788 1.00 14.89 H new ATOM 0 HE1 MET A 13 29.998 19.020 26.952 1.00 15.63 H new ATOM 0 HE2 MET A 13 30.203 17.863 25.890 1.00 15.63 H new ATOM 0 HE3 MET A 13 29.272 19.097 25.546 1.00 15.63 H new ATOM 99 N ASP A 14 27.611 19.701 22.628 1.00 15.00 N ATOM 100 CA ASP A 14 28.055 20.424 21.427 1.00 16.01 C ATOM 101 C ASP A 14 29.216 21.329 21.903 1.00 16.77 C ATOM 102 O ASP A 14 29.012 22.523 22.028 1.00 16.58 O ATOM 103 CB ASP A 14 26.991 21.143 20.621 1.00 16.35 C ATOM 104 CG ASP A 14 27.640 21.835 19.400 1.00 17.40 C ATOM 105 OD1 ASP A 14 28.764 21.476 18.961 1.00 17.74 O ATOM 106 OD2 ASP A 14 26.983 22.754 18.896 1.00 17.66 O ATOM 0 H ASP A 14 27.599 20.162 23.354 1.00 15.00 H new ATOM 0 HA ASP A 14 28.341 19.783 20.757 1.00 16.01 H new ATOM 0 HB2 ASP A 14 26.316 20.512 20.325 1.00 16.35 H new ATOM 0 HB3 ASP A 14 26.542 21.800 21.175 1.00 16.35 H new ATOM 107 N SER A 15 30.386 20.797 22.163 1.00 17.51 N ATOM 108 CA SER A 15 31.534 21.575 22.620 1.00 18.98 C ATOM 109 C SER A 15 32.265 22.206 21.436 1.00 20.32 C ATOM 110 O SER A 15 33.312 22.850 21.701 1.00 21.79 O ATOM 111 CB SER A 15 32.502 20.730 23.406 1.00 19.32 C ATOM 112 OG SER A 15 31.913 19.982 24.450 1.00 19.74 O ATOM 0 H SER A 15 30.549 19.957 22.080 1.00 17.51 H new ATOM 0 HA SER A 15 31.191 22.273 23.200 1.00 18.98 H new ATOM 0 HB2 SER A 15 32.948 20.120 22.798 1.00 19.32 H new ATOM 0 HB3 SER A 15 33.185 21.306 23.782 1.00 19.32 H new ATOM 0 HG SER A 15 31.913 20.437 25.156 1.00 19.74 H new ATOM 113 N SER A 16 31.783 22.047 20.230 1.00 20.74 N ATOM 114 CA SER A 16 32.464 22.616 19.061 1.00 22.60 C ATOM 115 C SER A 16 32.171 24.097 18.843 1.00 23.58 C ATOM 116 O SER A 16 32.864 24.800 18.068 1.00 24.08 O ATOM 117 CB SER A 16 32.100 21.793 17.816 1.00 22.85 C ATOM 118 OG SER A 16 30.797 22.254 17.455 1.00 24.63 O ATOM 0 H SER A 16 31.062 21.614 20.050 1.00 20.74 H new ATOM 0 HA SER A 16 33.418 22.565 19.229 1.00 22.60 H new ATOM 0 HB2 SER A 16 32.737 21.936 17.099 1.00 22.85 H new ATOM 0 HB3 SER A 16 32.098 20.842 18.008 1.00 22.85 H new ATOM 0 HG SER A 16 30.253 22.065 18.067 1.00 24.63 H new ATOM 119 N THR A 17 31.148 24.602 19.503 1.00 24.55 N ATOM 120 CA THR A 17 30.692 25.997 19.421 1.00 25.02 C ATOM 121 C THR A 17 30.428 26.544 20.831 1.00 25.24 C ATOM 122 O THR A 17 29.935 25.807 21.705 1.00 24.99 O ATOM 123 CB THR A 17 29.354 26.170 18.595 1.00 25.43 C ATOM 124 OG1 THR A 17 28.319 25.324 19.203 1.00 25.32 O ATOM 125 CG2 THR A 17 29.402 25.882 17.095 1.00 25.69 C ATOM 0 H THR A 17 30.671 24.128 20.039 1.00 24.55 H new ATOM 0 HA THR A 17 31.400 26.481 18.968 1.00 25.02 H new ATOM 0 HB THR A 17 29.166 27.120 18.644 1.00 25.43 H new ATOM 0 HG1 THR A 17 28.279 25.479 20.028 1.00 25.32 H new ATOM 0 HG21 THR A 17 28.523 26.025 16.710 1.00 25.69 H new ATOM 0 HG22 THR A 17 30.041 26.477 16.671 1.00 25.69 H new ATOM 0 HG23 THR A 17 29.673 24.962 16.950 1.00 25.69 H new ATOM 126 N SER A 18 30.719 27.835 20.950 1.00 25.46 N ATOM 127 CA SER A 18 30.493 28.531 22.223 1.00 26.38 C ATOM 128 C SER A 18 29.014 28.860 22.412 1.00 26.01 C ATOM 129 O SER A 18 28.572 29.090 23.556 1.00 26.21 O ATOM 130 CB SER A 18 31.393 29.758 22.329 1.00 27.37 C ATOM 131 OG SER A 18 31.031 30.621 21.242 1.00 29.74 O ATOM 0 H SER A 18 31.043 28.323 20.320 1.00 25.46 H new ATOM 0 HA SER A 18 30.736 27.940 22.953 1.00 26.38 H new ATOM 0 HB2 SER A 18 31.269 30.205 23.181 1.00 27.37 H new ATOM 0 HB3 SER A 18 32.328 29.506 22.274 1.00 27.37 H new ATOM 0 HG SER A 18 31.505 31.314 21.264 1.00 29.74 H new ATOM 132 N ALA A 19 28.247 28.884 21.348 1.00 25.98 N ATOM 133 CA ALA A 19 26.814 29.181 21.417 1.00 26.74 C ATOM 134 C ALA A 19 26.197 29.111 20.022 1.00 27.07 C ATOM 135 O ALA A 19 26.974 29.353 19.077 1.00 27.10 O ATOM 136 CB ALA A 19 26.555 30.593 21.946 1.00 26.93 C ATOM 0 H ALA A 19 28.534 28.729 20.552 1.00 25.98 H new ATOM 0 HA ALA A 19 26.421 28.526 22.014 1.00 26.74 H new ATOM 0 HB1 ALA A 19 25.599 30.756 21.979 1.00 26.93 H new ATOM 0 HB2 ALA A 19 26.928 30.678 22.837 1.00 26.93 H new ATOM 0 HB3 ALA A 19 26.973 31.241 21.358 1.00 26.93 H new ATOM 137 N ALA A 20 24.906 28.854 19.976 1.00 27.17 N ATOM 138 CA ALA A 20 24.183 28.788 18.701 1.00 27.96 C ATOM 139 C ALA A 20 24.469 30.058 17.883 1.00 29.11 C ATOM 140 O ALA A 20 24.380 31.199 18.340 1.00 29.38 O ATOM 141 CB ALA A 20 22.680 28.633 18.901 1.00 27.24 C ATOM 0 H ALA A 20 24.418 28.713 20.670 1.00 27.17 H new ATOM 0 HA ALA A 20 24.496 28.004 18.224 1.00 27.96 H new ATOM 0 HB1 ALA A 20 22.241 28.593 18.037 1.00 27.24 H new ATOM 0 HB2 ALA A 20 22.501 27.816 19.392 1.00 27.24 H new ATOM 0 HB3 ALA A 20 22.340 29.391 19.402 1.00 27.24 H new ATOM 142 N SER A 21 24.788 29.813 16.641 1.00 30.21 N ATOM 143 CA SER A 21 25.115 30.816 15.644 1.00 31.30 C ATOM 144 C SER A 21 23.934 31.675 15.203 1.00 31.28 C ATOM 145 O SER A 21 23.914 32.926 15.256 1.00 32.55 O ATOM 146 CB SER A 21 25.500 29.986 14.375 1.00 32.37 C ATOM 147 OG SER A 21 24.503 28.921 14.339 1.00 33.01 O ATOM 0 H SER A 21 24.824 29.012 16.329 1.00 30.21 H new ATOM 0 HA SER A 21 25.790 31.406 16.014 1.00 31.30 H new ATOM 0 HB2 SER A 21 25.470 30.529 13.572 1.00 32.37 H new ATOM 0 HB3 SER A 21 26.400 29.629 14.442 1.00 32.37 H new ATOM 0 HG SER A 21 24.273 28.779 13.544 1.00 33.01 H new ATOM 148 N SER A 22 22.956 30.947 14.685 1.00 29.55 N ATOM 149 CA SER A 22 21.756 31.545 14.115 1.00 27.95 C ATOM 150 C SER A 22 20.496 30.819 14.520 1.00 26.57 C ATOM 151 O SER A 22 20.563 29.854 15.295 1.00 26.52 O ATOM 152 CB SER A 22 21.906 31.323 12.600 1.00 28.63 C ATOM 153 OG SER A 22 21.741 29.931 12.327 1.00 29.20 O ATOM 0 H SER A 22 22.968 30.088 14.653 1.00 29.55 H new ATOM 0 HA SER A 22 21.679 32.468 14.405 1.00 27.95 H new ATOM 0 HB2 SER A 22 21.245 31.842 12.116 1.00 28.63 H new ATOM 0 HB3 SER A 22 22.778 31.624 12.300 1.00 28.63 H new ATOM 0 HG SER A 22 21.819 29.796 11.502 1.00 29.20 H new ATOM 154 N SER A 23 19.401 31.273 13.914 1.00 24.80 N ATOM 155 CA SER A 23 18.113 30.633 14.201 1.00 23.43 C ATOM 156 C SER A 23 18.038 29.246 13.594 1.00 22.25 C ATOM 157 O SER A 23 17.140 28.474 14.004 1.00 22.97 O ATOM 158 CB SER A 23 16.971 31.509 13.675 1.00 23.96 C ATOM 159 OG SER A 23 17.203 31.689 12.279 1.00 23.94 O ATOM 0 H SER A 23 19.377 31.925 13.354 1.00 24.80 H new ATOM 0 HA SER A 23 18.028 30.538 15.163 1.00 23.43 H new ATOM 0 HB2 SER A 23 16.112 31.085 13.830 1.00 23.96 H new ATOM 0 HB3 SER A 23 16.952 32.363 14.134 1.00 23.96 H new ATOM 0 HG SER A 23 16.593 32.166 11.953 1.00 23.94 H new ATOM 160 N ASN A 24 18.885 28.862 12.656 1.00 21.30 N ATOM 161 CA ASN A 24 18.769 27.509 12.075 1.00 20.84 C ATOM 162 C ASN A 24 19.600 26.488 12.844 1.00 19.08 C ATOM 163 O ASN A 24 19.609 25.310 12.403 1.00 18.36 O ATOM 164 CB ASN A 24 19.118 27.560 10.583 1.00 24.12 C ATOM 165 CG ASN A 24 18.045 28.330 9.834 1.00 27.04 C ATOM 166 OD1 ASN A 24 18.384 29.314 9.136 1.00 29.16 O ATOM 167 ND2 ASN A 24 16.750 27.971 9.952 1.00 28.08 N ATOM 0 H ASN A 24 19.522 29.345 12.340 1.00 21.30 H new ATOM 0 HA ASN A 24 17.851 27.207 12.156 1.00 20.84 H new ATOM 0 HB2 ASN A 24 19.981 27.985 10.458 1.00 24.12 H new ATOM 0 HB3 ASN A 24 19.191 26.660 10.228 1.00 24.12 H new ATOM 0 HD21 ASN A 24 16.140 28.420 9.544 1.00 28.08 H new ATOM 0 HD22 ASN A 24 16.534 27.293 10.435 1.00 28.08 H new ATOM 168 N TYR A 25 20.280 26.934 13.901 1.00 15.91 N ATOM 169 CA TYR A 25 21.104 25.984 14.663 1.00 14.62 C ATOM 170 C TYR A 25 20.345 24.718 15.069 1.00 14.48 C ATOM 171 O TYR A 25 20.882 23.614 14.852 1.00 14.44 O ATOM 172 CB TYR A 25 21.769 26.665 15.860 1.00 14.07 C ATOM 173 CG TYR A 25 22.458 25.716 16.819 1.00 14.50 C ATOM 174 CD1 TYR A 25 21.762 25.054 17.849 1.00 14.07 C ATOM 175 CD2 TYR A 25 23.840 25.465 16.687 1.00 14.57 C ATOM 176 CE1 TYR A 25 22.435 24.204 18.715 1.00 14.39 C ATOM 177 CE2 TYR A 25 24.512 24.615 17.565 1.00 14.29 C ATOM 178 CZ TYR A 25 23.803 23.972 18.563 1.00 14.38 C ATOM 179 OH TYR A 25 24.436 23.124 19.439 1.00 14.95 O ATOM 0 H TYR A 25 20.283 27.745 14.187 1.00 15.91 H new ATOM 0 HA TYR A 25 21.806 25.685 14.064 1.00 14.62 H new ATOM 0 HB2 TYR A 25 22.420 27.305 15.533 1.00 14.07 H new ATOM 0 HB3 TYR A 25 21.097 27.167 16.347 1.00 14.07 H new ATOM 0 HD1 TYR A 25 20.847 25.187 17.949 1.00 14.07 H new ATOM 0 HD2 TYR A 25 24.313 25.875 16.000 1.00 14.57 H new ATOM 0 HE1 TYR A 25 21.970 23.785 19.403 1.00 14.39 H new ATOM 0 HE2 TYR A 25 25.428 24.482 17.480 1.00 14.29 H new ATOM 0 HH TYR A 25 25.268 23.212 19.362 1.00 14.95 H new ATOM 180 N CYS A 26 19.169 24.839 15.670 1.00 13.95 N ATOM 181 CA CYS A 26 18.413 23.656 16.119 1.00 14.52 C ATOM 182 C CYS A 26 18.017 22.742 14.972 1.00 15.54 C ATOM 183 O CYS A 26 18.140 21.512 15.141 1.00 15.46 O ATOM 184 CB CYS A 26 17.210 24.070 16.974 1.00 13.86 C ATOM 185 SG CYS A 26 17.782 24.602 18.606 1.00 13.39 S ATOM 0 H CYS A 26 18.785 25.591 15.831 1.00 13.95 H new ATOM 0 HA CYS A 26 19.007 23.131 16.678 1.00 14.52 H new ATOM 0 HB2 CYS A 26 16.725 24.790 16.540 1.00 13.86 H new ATOM 0 HB3 CYS A 26 16.594 23.326 17.063 1.00 13.86 H new ATOM 186 N ASN A 27 17.566 23.304 13.870 1.00 16.73 N ATOM 187 CA ASN A 27 17.156 22.497 12.695 1.00 18.15 C ATOM 188 C ASN A 27 18.321 21.613 12.238 1.00 18.88 C ATOM 189 O ASN A 27 18.053 20.423 11.968 1.00 19.44 O ATOM 190 CB ASN A 27 16.617 23.364 11.553 1.00 18.91 C ATOM 191 CG ASN A 27 15.238 23.903 11.833 1.00 19.30 C ATOM 192 OD1 ASN A 27 14.426 23.368 12.587 1.00 20.16 O ATOM 193 ND2 ASN A 27 14.906 25.033 11.223 1.00 21.10 N ATOM 0 H ASN A 27 17.483 24.153 13.764 1.00 16.73 H new ATOM 0 HA ASN A 27 16.421 21.925 12.965 1.00 18.15 H new ATOM 0 HB2 ASN A 27 17.225 24.104 11.400 1.00 18.91 H new ATOM 0 HB3 ASN A 27 16.596 22.840 10.737 1.00 18.91 H new ATOM 0 HD21 ASN A 27 14.132 25.382 11.357 1.00 21.10 H new ATOM 0 HD22 ASN A 27 15.465 25.416 10.694 1.00 21.10 H new ATOM 194 N GLN A 28 19.505 22.187 12.160 1.00 19.40 N ATOM 195 CA GLN A 28 20.686 21.412 11.737 1.00 20.13 C ATOM 196 C GLN A 28 21.144 20.357 12.749 1.00 19.70 C ATOM 197 O GLN A 28 21.440 19.201 12.393 1.00 18.76 O ATOM 198 CB GLN A 28 21.820 22.379 11.403 1.00 22.44 C ATOM 199 CG GLN A 28 21.477 23.322 10.246 1.00 25.18 C ATOM 200 CD GLN A 28 22.369 24.538 10.283 1.00 27.30 C ATOM 201 OE1 GLN A 28 23.396 24.580 10.965 1.00 28.88 O ATOM 202 NE2 GLN A 28 22.032 25.625 9.578 1.00 28.47 N ATOM 0 H GLN A 28 19.659 23.013 12.342 1.00 19.40 H new ATOM 0 HA GLN A 28 20.427 20.905 10.952 1.00 20.13 H new ATOM 0 HB2 GLN A 28 22.033 22.904 12.190 1.00 22.44 H new ATOM 0 HB3 GLN A 28 22.615 21.872 11.176 1.00 22.44 H new ATOM 0 HG2 GLN A 28 21.584 22.859 9.400 1.00 25.18 H new ATOM 0 HG3 GLN A 28 20.547 23.593 10.305 1.00 25.18 H new ATOM 0 HE21 GLN A 28 21.321 25.621 9.095 1.00 28.47 H new ATOM 0 HE22 GLN A 28 22.527 26.328 9.608 1.00 28.47 H new ATOM 203 N MET A 29 21.243 20.742 14.013 1.00 19.13 N ATOM 204 CA MET A 29 21.696 19.861 15.084 1.00 19.39 C ATOM 205 C MET A 29 20.722 18.735 15.426 1.00 18.88 C ATOM 206 O MET A 29 21.217 17.615 15.770 1.00 18.77 O ATOM 207 CB MET A 29 22.117 20.629 16.346 1.00 19.96 C ATOM 208 CG MET A 29 23.303 21.501 16.126 1.00 21.52 C ATOM 209 SD MET A 29 24.886 20.578 16.036 1.00 23.26 S ATOM 210 CE MET A 29 24.743 19.551 17.495 1.00 22.99 C ATOM 0 H MET A 29 21.046 21.536 14.279 1.00 19.13 H new ATOM 0 HA MET A 29 22.486 19.431 14.719 1.00 19.39 H new ATOM 0 HB2 MET A 29 21.374 21.173 16.651 1.00 19.96 H new ATOM 0 HB3 MET A 29 22.314 19.996 17.054 1.00 19.96 H new ATOM 0 HG2 MET A 29 23.181 21.999 15.303 1.00 21.52 H new ATOM 0 HG3 MET A 29 23.356 22.150 16.845 1.00 21.52 H new ATOM 0 HE1 MET A 29 25.624 19.251 17.768 1.00 22.99 H new ATOM 0 HE2 MET A 29 24.340 20.063 18.213 1.00 22.99 H new ATOM 0 HE3 MET A 29 24.187 18.781 17.296 1.00 22.99 H new ATOM 211 N MET A 30 19.429 19.020 15.388 1.00 17.79 N ATOM 212 CA MET A 30 18.452 17.975 15.721 1.00 17.93 C ATOM 213 C MET A 30 18.586 16.905 14.623 1.00 19.50 C ATOM 214 O MET A 30 18.460 15.704 14.939 1.00 20.07 O ATOM 215 CB MET A 30 17.054 18.508 15.880 1.00 17.08 C ATOM 216 CG MET A 30 16.983 19.508 17.004 1.00 16.46 C ATOM 217 SD MET A 30 17.146 18.691 18.618 1.00 16.65 S ATOM 218 CE MET A 30 15.703 17.628 18.626 1.00 15.95 C ATOM 0 H MET A 30 19.097 19.785 15.180 1.00 17.79 H new ATOM 0 HA MET A 30 18.637 17.589 16.591 1.00 17.93 H new ATOM 0 HB2 MET A 30 16.767 18.925 15.053 1.00 17.08 H new ATOM 0 HB3 MET A 30 16.443 17.775 16.055 1.00 17.08 H new ATOM 0 HG2 MET A 30 17.687 20.167 16.899 1.00 16.46 H new ATOM 0 HG3 MET A 30 16.139 19.985 16.963 1.00 16.46 H new ATOM 0 HE1 MET A 30 15.191 17.783 19.435 1.00 15.95 H new ATOM 0 HE2 MET A 30 15.152 17.825 17.853 1.00 15.95 H new ATOM 0 HE3 MET A 30 15.984 16.700 18.594 1.00 15.95 H new ATOM 219 N LYS A 31 18.828 17.362 13.410 1.00 20.14 N ATOM 220 CA LYS A 31 18.988 16.443 12.278 1.00 21.78 C ATOM 221 C LYS A 31 20.274 15.632 12.335 1.00 21.48 C ATOM 222 O LYS A 31 20.182 14.400 12.224 1.00 22.05 O ATOM 223 CB LYS A 31 19.027 17.171 10.925 1.00 23.62 C ATOM 224 CG LYS A 31 17.667 17.268 10.247 1.00 26.34 C ATOM 225 CD LYS A 31 17.827 17.759 8.801 1.00 28.00 C ATOM 226 CE LYS A 31 18.613 16.772 7.958 1.00 28.83 C ATOM 227 NZ LYS A 31 17.595 15.815 7.418 1.00 30.40 N ATOM 0 H LYS A 31 18.905 18.195 13.212 1.00 20.14 H new ATOM 0 HA LYS A 31 18.212 15.865 12.350 1.00 21.78 H new ATOM 0 HB2 LYS A 31 19.379 18.065 11.057 1.00 23.62 H new ATOM 0 HB3 LYS A 31 19.642 16.708 10.335 1.00 23.62 H new ATOM 0 HG2 LYS A 31 17.232 16.401 10.255 1.00 26.34 H new ATOM 0 HG3 LYS A 31 17.095 17.877 10.741 1.00 26.34 H new ATOM 0 HD2 LYS A 31 16.951 17.897 8.407 1.00 28.00 H new ATOM 0 HD3 LYS A 31 18.277 18.618 8.798 1.00 28.00 H new ATOM 0 HE2 LYS A 31 19.085 17.223 7.240 1.00 28.83 H new ATOM 0 HE3 LYS A 31 19.280 16.310 8.490 1.00 28.83 H new ATOM 0 HZ1 LYS A 31 18.000 15.206 6.910 1.00 30.40 H new ATOM 0 HZ2 LYS A 31 17.181 15.410 8.093 1.00 30.40 H new ATOM 0 HZ3 LYS A 31 16.999 16.260 6.929 1.00 30.40 H new ATOM 228 N SER A 32 21.415 16.260 12.460 1.00 20.95 N ATOM 229 CA SER A 32 22.721 15.598 12.486 1.00 21.16 C ATOM 230 C SER A 32 22.966 14.690 13.681 1.00 21.06 C ATOM 231 O SER A 32 23.788 13.759 13.603 1.00 21.50 O ATOM 232 CB SER A 32 23.856 16.570 12.262 1.00 21.62 C ATOM 233 OG SER A 32 24.079 17.478 13.310 1.00 22.03 O ATOM 0 H SER A 32 21.467 17.115 12.536 1.00 20.95 H new ATOM 0 HA SER A 32 22.696 14.990 11.730 1.00 21.16 H new ATOM 0 HB2 SER A 32 24.671 16.065 12.111 1.00 21.62 H new ATOM 0 HB3 SER A 32 23.679 17.071 11.451 1.00 21.62 H new ATOM 0 HG SER A 32 24.284 18.228 12.992 1.00 22.03 H new ATOM 234 N ARG A 33 22.292 14.902 14.783 1.00 20.28 N ATOM 235 CA ARG A 33 22.461 14.047 15.968 1.00 20.25 C ATOM 236 C ARG A 33 21.431 12.932 15.960 1.00 21.00 C ATOM 237 O ARG A 33 21.233 12.188 16.937 1.00 21.22 O ATOM 238 CB ARG A 33 22.427 14.895 17.239 1.00 19.25 C ATOM 239 CG ARG A 33 23.592 15.846 17.441 1.00 17.86 C ATOM 240 CD ARG A 33 24.904 15.156 17.281 1.00 16.79 C ATOM 241 NE ARG A 33 26.025 16.069 17.521 1.00 16.77 N ATOM 242 CZ ARG A 33 26.475 16.442 18.717 1.00 15.71 C ATOM 243 NH1 ARG A 33 25.940 15.989 19.846 1.00 15.06 N ATOM 244 NH2 ARG A 33 27.488 17.300 18.764 1.00 15.68 N ATOM 0 H ARG A 33 21.722 15.538 14.882 1.00 20.28 H new ATOM 0 HA ARG A 33 23.331 13.619 15.946 1.00 20.25 H new ATOM 0 HB2 ARG A 33 21.607 15.413 17.238 1.00 19.25 H new ATOM 0 HB3 ARG A 33 22.385 14.298 18.003 1.00 19.25 H new ATOM 0 HG2 ARG A 33 23.530 16.574 16.803 1.00 17.86 H new ATOM 0 HG3 ARG A 33 23.539 16.239 18.326 1.00 17.86 H new ATOM 0 HD2 ARG A 33 24.956 14.410 17.898 1.00 16.79 H new ATOM 0 HD3 ARG A 33 24.970 14.789 16.386 1.00 16.79 H new ATOM 0 HE ARG A 33 26.426 16.391 16.831 1.00 16.77 H new ATOM 0 HH11 ARG A 33 25.281 15.437 19.818 1.00 15.06 H new ATOM 0 HH12 ARG A 33 26.252 16.248 20.604 1.00 15.06 H new ATOM 0 HH21 ARG A 33 27.833 17.598 18.035 1.00 15.68 H new ATOM 0 HH22 ARG A 33 27.798 17.558 19.524 1.00 15.68 H new ATOM 245 N ASN A 34 20.728 12.817 14.854 1.00 22.59 N ATOM 246 CA ASN A 34 19.712 11.824 14.564 1.00 24.41 C ATOM 247 C ASN A 34 18.502 11.930 15.454 1.00 25.33 C ATOM 248 O ASN A 34 17.955 10.845 15.740 1.00 25.20 O ATOM 249 CB ASN A 34 20.388 10.429 14.695 1.00 26.62 C ATOM 250 CG ASN A 34 21.277 10.208 13.477 1.00 28.48 C ATOM 251 OD1 ASN A 34 20.747 9.882 12.397 1.00 29.86 O ATOM 252 ND2 ASN A 34 22.584 10.402 13.575 1.00 29.56 N ATOM 0 H ASN A 34 20.840 13.361 14.197 1.00 22.59 H new ATOM 0 HA ASN A 34 19.372 11.969 13.667 1.00 24.41 H new ATOM 0 HB2 ASN A 34 20.914 10.384 15.509 1.00 26.62 H new ATOM 0 HB3 ASN A 34 19.716 9.732 14.753 1.00 26.62 H new ATOM 0 HD21 ASN A 34 23.086 10.303 12.884 1.00 29.56 H new ATOM 0 HD22 ASN A 34 22.930 10.627 14.330 1.00 29.56 H new ATOM 253 N LEU A 35 18.112 13.148 15.843 1.00 25.44 N ATOM 254 CA LEU A 35 16.949 13.245 16.724 1.00 26.31 C ATOM 255 C LEU A 35 15.634 13.422 15.994 1.00 27.58 C ATOM 256 O LEU A 35 14.590 13.630 16.653 1.00 27.67 O ATOM 257 CB LEU A 35 17.294 14.350 17.727 1.00 26.35 C ATOM 258 CG LEU A 35 18.620 14.205 18.447 1.00 26.71 C ATOM 259 CD1 LEU A 35 18.855 15.362 19.404 1.00 26.77 C ATOM 260 CD2 LEU A 35 18.720 12.865 19.170 1.00 26.95 C ATOM 0 H LEU A 35 18.484 13.891 15.622 1.00 25.44 H new ATOM 0 HA LEU A 35 16.784 12.410 17.189 1.00 26.31 H new ATOM 0 HB2 LEU A 35 17.292 15.199 17.259 1.00 26.35 H new ATOM 0 HB3 LEU A 35 16.588 14.391 18.391 1.00 26.35 H new ATOM 0 HG LEU A 35 19.320 14.228 17.775 1.00 26.71 H new ATOM 0 HD11 LEU A 35 19.708 15.245 19.850 1.00 26.77 H new ATOM 0 HD12 LEU A 35 18.862 16.196 18.908 1.00 26.77 H new ATOM 0 HD13 LEU A 35 18.145 15.385 20.065 1.00 26.77 H new ATOM 0 HD21 LEU A 35 19.577 12.803 19.620 1.00 26.95 H new ATOM 0 HD22 LEU A 35 18.007 12.796 19.824 1.00 26.95 H new ATOM 0 HD23 LEU A 35 18.640 12.143 18.527 1.00 26.95 H new ATOM 261 N THR A 36 15.674 13.339 14.675 1.00 29.00 N ATOM 262 CA THR A 36 14.476 13.479 13.833 1.00 30.45 C ATOM 263 C THR A 36 14.304 12.258 12.936 1.00 32.80 C ATOM 264 O THR A 36 13.618 12.253 11.901 1.00 32.94 O ATOM 265 CB THR A 36 14.591 14.813 13.019 1.00 29.56 C ATOM 266 OG1 THR A 36 15.677 14.602 12.082 1.00 28.61 O ATOM 267 CG2 THR A 36 14.749 16.072 13.883 1.00 29.56 C ATOM 0 H THR A 36 16.397 13.199 14.231 1.00 29.00 H new ATOM 0 HA THR A 36 13.679 13.525 14.384 1.00 30.45 H new ATOM 0 HB THR A 36 13.761 15.001 12.554 1.00 29.56 H new ATOM 0 HG1 THR A 36 16.344 14.295 12.490 1.00 28.61 H new ATOM 0 HG21 THR A 36 14.813 16.852 13.310 1.00 29.56 H new ATOM 0 HG22 THR A 36 13.980 16.163 14.467 1.00 29.56 H new ATOM 0 HG23 THR A 36 15.554 15.998 14.419 1.00 29.56 H new ATOM 268 N LYS A 37 14.949 11.179 13.355 1.00 35.55 N ATOM 269 CA LYS A 37 14.919 9.917 12.598 1.00 38.19 C ATOM 270 C LYS A 37 13.530 9.331 12.428 1.00 39.08 C ATOM 271 O LYS A 37 13.152 9.167 11.231 1.00 39.97 O ATOM 272 CB LYS A 37 15.922 8.890 13.125 1.00 39.47 C ATOM 273 CG LYS A 37 17.234 8.854 12.303 1.00 40.88 C ATOM 274 CD LYS A 37 16.935 8.181 10.963 1.00 42.01 C ATOM 275 CE LYS A 37 18.109 7.617 10.204 1.00 42.74 C ATOM 276 NZ LYS A 37 18.397 8.348 8.945 1.00 43.15 N ATOM 0 H LYS A 37 15.414 11.148 14.078 1.00 35.55 H new ATOM 0 HA LYS A 37 15.206 10.157 11.703 1.00 38.19 H new ATOM 0 HB2 LYS A 37 16.131 9.093 14.050 1.00 39.47 H new ATOM 0 HB3 LYS A 37 15.514 8.010 13.113 1.00 39.47 H new ATOM 0 HG2 LYS A 37 17.571 9.753 12.163 1.00 40.88 H new ATOM 0 HG3 LYS A 37 17.921 8.365 12.782 1.00 40.88 H new ATOM 0 HD2 LYS A 37 16.304 7.461 11.121 1.00 42.01 H new ATOM 0 HD3 LYS A 37 16.490 8.828 10.393 1.00 42.01 H new ATOM 0 HE2 LYS A 37 18.895 7.640 10.772 1.00 42.74 H new ATOM 0 HE3 LYS A 37 17.936 6.685 9.998 1.00 42.74 H new ATOM 0 HZ1 LYS A 37 19.096 7.976 8.538 1.00 43.15 H new ATOM 0 HZ2 LYS A 37 17.687 8.309 8.410 1.00 43.15 H new ATOM 0 HZ3 LYS A 37 18.581 9.199 9.131 1.00 43.15 H new ATOM 277 N ASP A 38 12.795 9.038 13.489 1.00 39.70 N ATOM 278 CA ASP A 38 11.452 8.431 13.284 1.00 40.14 C ATOM 279 C ASP A 38 10.305 9.285 13.779 1.00 39.67 C ATOM 280 O ASP A 38 9.120 9.026 13.501 1.00 39.62 O ATOM 281 CB ASP A 38 11.448 7.005 13.843 1.00 41.33 C ATOM 282 CG ASP A 38 12.352 6.121 12.972 1.00 42.58 C ATOM 283 OD1 ASP A 38 12.196 6.029 11.730 1.00 42.82 O ATOM 284 OD2 ASP A 38 13.248 5.534 13.640 1.00 43.28 O ATOM 0 H ASP A 38 13.026 9.168 14.307 1.00 39.70 H new ATOM 0 HA ASP A 38 11.289 8.384 12.329 1.00 40.14 H new ATOM 0 HB2 ASP A 38 11.763 7.004 14.760 1.00 41.33 H new ATOM 0 HB3 ASP A 38 10.545 6.652 13.853 1.00 41.33 H new ATOM 285 N ARG A 39 10.700 10.304 14.510 1.00 38.56 N ATOM 286 CA ARG A 39 9.764 11.275 15.086 1.00 37.41 C ATOM 287 C ARG A 39 10.561 12.568 15.339 1.00 35.46 C ATOM 288 O ARG A 39 11.809 12.503 15.378 1.00 35.33 O ATOM 289 CB ARG A 39 9.089 10.800 16.350 1.00 38.85 C ATOM 290 CG ARG A 39 9.918 10.057 17.373 1.00 40.56 C ATOM 291 CD ARG A 39 10.565 8.817 16.831 1.00 41.91 C ATOM 292 NE ARG A 39 10.432 7.661 17.704 1.00 43.33 N ATOM 293 CZ ARG A 39 9.998 7.694 18.976 1.00 43.84 C ATOM 294 NH1 ARG A 39 9.624 8.819 19.597 1.00 44.04 N ATOM 295 NH2 ARG A 39 9.922 6.546 19.670 1.00 44.21 N ATOM 0 H ARG A 39 11.525 10.463 14.694 1.00 38.56 H new ATOM 0 HA ARG A 39 9.036 11.416 14.461 1.00 37.41 H new ATOM 0 HB2 ARG A 39 8.704 11.575 16.788 1.00 38.85 H new ATOM 0 HB3 ARG A 39 8.352 10.224 16.093 1.00 38.85 H new ATOM 0 HG2 ARG A 39 10.606 10.650 17.714 1.00 40.56 H new ATOM 0 HG3 ARG A 39 9.353 9.817 18.124 1.00 40.56 H new ATOM 0 HD2 ARG A 39 10.174 8.608 15.968 1.00 41.91 H new ATOM 0 HD3 ARG A 39 11.507 8.992 16.680 1.00 41.91 H new ATOM 0 HE ARG A 39 10.649 6.894 17.380 1.00 43.33 H new ATOM 0 HH11 ARG A 39 9.655 9.571 19.180 1.00 44.04 H new ATOM 0 HH12 ARG A 39 9.353 8.790 20.413 1.00 44.04 H new ATOM 0 HH21 ARG A 39 10.149 5.804 19.300 1.00 44.21 H new ATOM 0 HH22 ARG A 39 9.646 6.553 20.484 1.00 44.21 H new ATOM 296 N CYS A 40 9.787 13.642 15.442 1.00 32.51 N ATOM 297 CA CYS A 40 10.459 14.929 15.695 1.00 29.86 C ATOM 298 C CYS A 40 10.595 14.941 17.210 1.00 28.33 C ATOM 299 O CYS A 40 9.520 15.037 17.821 1.00 28.57 O ATOM 300 CB CYS A 40 9.689 16.142 15.249 1.00 29.52 C ATOM 301 SG CYS A 40 9.295 16.258 13.491 1.00 28.94 S ATOM 0 H CYS A 40 8.930 13.661 15.376 1.00 32.51 H new ATOM 0 HA CYS A 40 11.289 14.985 15.196 1.00 29.86 H new ATOM 0 HB2 CYS A 40 8.857 16.172 15.747 1.00 29.52 H new ATOM 0 HB3 CYS A 40 10.197 16.930 15.497 1.00 29.52 H new ATOM 302 N LYS A 41 11.790 14.811 17.743 1.00 26.87 N ATOM 303 CA LYS A 41 11.842 14.889 19.242 1.00 24.97 C ATOM 304 C LYS A 41 11.404 16.346 19.510 1.00 22.85 C ATOM 305 O LYS A 41 11.925 17.300 18.901 1.00 21.56 O ATOM 306 CB LYS A 41 13.218 14.594 19.760 1.00 26.25 C ATOM 307 CG LYS A 41 13.321 14.869 21.272 1.00 27.36 C ATOM 308 CD LYS A 41 14.819 15.002 21.555 1.00 28.79 C ATOM 309 CE LYS A 41 15.416 13.664 21.943 1.00 29.50 C ATOM 310 NZ LYS A 41 16.698 13.986 22.648 1.00 30.58 N ATOM 0 H LYS A 41 12.533 14.688 17.328 1.00 26.87 H new ATOM 0 HA LYS A 41 11.280 14.238 19.691 1.00 24.97 H new ATOM 0 HB2 LYS A 41 13.440 13.667 19.582 1.00 26.25 H new ATOM 0 HB3 LYS A 41 13.867 15.137 19.286 1.00 26.25 H new ATOM 0 HG2 LYS A 41 12.845 15.679 21.514 1.00 27.36 H new ATOM 0 HG3 LYS A 41 12.930 14.146 21.787 1.00 27.36 H new ATOM 0 HD2 LYS A 41 15.271 15.347 20.769 1.00 28.79 H new ATOM 0 HD3 LYS A 41 14.962 15.643 22.269 1.00 28.79 H new ATOM 0 HE2 LYS A 41 14.815 13.168 22.521 1.00 29.50 H new ATOM 0 HE3 LYS A 41 15.577 13.113 21.161 1.00 29.50 H new ATOM 0 HZ1 LYS A 41 17.386 13.756 22.133 1.00 30.58 H new ATOM 0 HZ2 LYS A 41 16.733 14.859 22.816 1.00 30.58 H new ATOM 0 HZ3 LYS A 41 16.737 13.535 23.414 1.00 30.58 H new ATOM 311 N PRO A 42 10.428 16.483 20.380 1.00 21.33 N ATOM 312 CA PRO A 42 9.860 17.788 20.692 1.00 20.15 C ATOM 313 C PRO A 42 10.777 18.769 21.395 1.00 18.78 C ATOM 314 O PRO A 42 10.691 19.948 20.972 1.00 19.40 O ATOM 315 CB PRO A 42 8.617 17.520 21.531 1.00 20.49 C ATOM 316 CG PRO A 42 8.512 16.043 21.692 1.00 21.02 C ATOM 317 CD PRO A 42 9.739 15.397 21.090 1.00 21.26 C ATOM 0 HA PRO A 42 9.672 18.234 19.851 1.00 20.15 H new ATOM 0 HB2 PRO A 42 8.685 17.956 22.395 1.00 20.49 H new ATOM 0 HB3 PRO A 42 7.826 17.875 21.096 1.00 20.49 H new ATOM 0 HG2 PRO A 42 8.438 15.812 22.631 1.00 21.02 H new ATOM 0 HG3 PRO A 42 7.711 15.714 21.255 1.00 21.02 H new ATOM 0 HD2 PRO A 42 10.305 15.011 21.776 1.00 21.26 H new ATOM 0 HD3 PRO A 42 9.497 14.679 20.484 1.00 21.26 H new ATOM 318 N VAL A 43 11.519 18.332 22.381 1.00 16.79 N ATOM 319 CA VAL A 43 12.386 19.293 23.121 1.00 16.27 C ATOM 320 C VAL A 43 13.794 18.741 23.344 1.00 15.07 C ATOM 321 O VAL A 43 13.831 17.543 23.643 1.00 15.26 O ATOM 322 CB VAL A 43 11.674 19.684 24.444 1.00 16.51 C ATOM 323 CG1 VAL A 43 12.500 20.619 25.299 1.00 16.95 C ATOM 324 CG2 VAL A 43 10.269 20.256 24.265 1.00 16.96 C ATOM 0 H VAL A 43 11.555 17.516 22.651 1.00 16.79 H new ATOM 0 HA VAL A 43 12.512 20.094 22.588 1.00 16.27 H new ATOM 0 HB VAL A 43 11.577 18.837 24.906 1.00 16.51 H new ATOM 0 HG11 VAL A 43 12.012 20.832 26.110 1.00 16.95 H new ATOM 0 HG12 VAL A 43 13.339 20.191 25.530 1.00 16.95 H new ATOM 0 HG13 VAL A 43 12.679 21.435 24.806 1.00 16.95 H new ATOM 0 HG21 VAL A 43 9.895 20.474 25.133 1.00 16.96 H new ATOM 0 HG22 VAL A 43 10.313 21.058 23.722 1.00 16.96 H new ATOM 0 HG23 VAL A 43 9.706 19.600 23.826 1.00 16.96 H new ATOM 325 N ASN A 44 14.833 19.550 23.225 1.00 13.54 N ATOM 326 CA ASN A 44 16.176 19.022 23.463 1.00 13.67 C ATOM 327 C ASN A 44 17.170 20.135 23.767 1.00 12.95 C ATOM 328 O ASN A 44 17.109 21.104 23.003 1.00 13.03 O ATOM 329 CB ASN A 44 16.618 18.163 22.262 1.00 14.19 C ATOM 330 CG ASN A 44 17.851 17.329 22.627 1.00 14.96 C ATOM 331 OD1 ASN A 44 17.711 16.328 23.336 1.00 16.07 O ATOM 332 ND2 ASN A 44 19.025 17.725 22.166 1.00 14.69 N ATOM 0 H ASN A 44 14.792 20.383 23.014 1.00 13.54 H new ATOM 0 HA ASN A 44 16.154 18.455 24.250 1.00 13.67 H new ATOM 0 HB2 ASN A 44 15.893 17.578 21.991 1.00 14.19 H new ATOM 0 HB3 ASN A 44 16.819 18.735 21.505 1.00 14.19 H new ATOM 0 HD21 ASN A 44 19.735 17.279 22.357 1.00 14.69 H new ATOM 0 HD22 ASN A 44 19.079 18.429 21.675 1.00 14.69 H new ATOM 333 N THR A 45 18.004 19.927 24.766 1.00 12.55 N ATOM 334 CA THR A 45 19.001 20.960 25.116 1.00 13.16 C ATOM 335 C THR A 45 20.446 20.579 24.826 1.00 13.52 C ATOM 336 O THR A 45 20.929 19.521 25.282 1.00 13.79 O ATOM 337 CB THR A 45 18.937 21.384 26.644 1.00 13.75 C ATOM 338 OG1 THR A 45 17.513 21.663 26.904 1.00 14.48 O ATOM 339 CG2 THR A 45 19.813 22.611 26.923 1.00 14.14 C ATOM 0 H THR A 45 18.023 19.218 25.252 1.00 12.55 H new ATOM 0 HA THR A 45 18.748 21.697 24.538 1.00 13.16 H new ATOM 0 HB THR A 45 19.278 20.688 27.227 1.00 13.75 H new ATOM 0 HG1 THR A 45 17.414 21.893 27.706 1.00 14.48 H new ATOM 0 HG21 THR A 45 19.753 22.845 27.862 1.00 14.14 H new ATOM 0 HG22 THR A 45 20.735 22.408 26.699 1.00 14.14 H new ATOM 0 HG23 THR A 45 19.506 23.357 26.384 1.00 14.14 H new ATOM 340 N PHE A 46 21.118 21.460 24.096 1.00 13.01 N ATOM 341 CA PHE A 46 22.536 21.287 23.748 1.00 13.09 C ATOM 342 C PHE A 46 23.385 22.109 24.727 1.00 13.88 C ATOM 343 O PHE A 46 23.014 23.285 24.976 1.00 13.89 O ATOM 344 CB PHE A 46 22.775 21.649 22.283 1.00 12.97 C ATOM 345 CG PHE A 46 22.206 20.629 21.341 1.00 13.48 C ATOM 346 CD1 PHE A 46 22.867 19.399 21.145 1.00 14.45 C ATOM 347 CD2 PHE A 46 21.032 20.867 20.649 1.00 13.90 C ATOM 348 CE1 PHE A 46 22.379 18.428 20.271 1.00 14.32 C ATOM 349 CE2 PHE A 46 20.510 19.915 19.757 1.00 13.78 C ATOM 350 CZ PHE A 46 21.175 18.697 19.579 1.00 14.51 C ATOM 0 H PHE A 46 20.768 22.181 23.784 1.00 13.01 H new ATOM 0 HA PHE A 46 22.802 20.358 23.836 1.00 13.09 H new ATOM 0 HB2 PHE A 46 22.378 22.514 22.097 1.00 12.97 H new ATOM 0 HB3 PHE A 46 23.728 21.735 22.125 1.00 12.97 H new ATOM 0 HD1 PHE A 46 23.653 19.230 21.613 1.00 14.45 H new ATOM 0 HD2 PHE A 46 20.581 21.670 20.776 1.00 13.90 H new ATOM 0 HE1 PHE A 46 22.833 17.626 20.147 1.00 14.32 H new ATOM 0 HE2 PHE A 46 19.727 20.093 19.288 1.00 13.78 H new ATOM 0 HZ PHE A 46 20.823 18.059 19.001 1.00 14.51 H new ATOM 351 N VAL A 47 24.453 21.535 25.236 1.00 13.69 N ATOM 352 CA VAL A 47 25.382 22.184 26.175 1.00 14.32 C ATOM 353 C VAL A 47 26.686 22.545 25.451 1.00 14.06 C ATOM 354 O VAL A 47 27.251 21.649 24.838 1.00 13.29 O ATOM 355 CB VAL A 47 25.640 21.294 27.423 1.00 14.56 C ATOM 356 CG1 VAL A 47 26.409 22.098 28.472 1.00 14.94 C ATOM 357 CG2 VAL A 47 24.320 20.822 28.045 1.00 15.05 C ATOM 0 H VAL A 47 24.677 20.727 25.046 1.00 13.69 H new ATOM 0 HA VAL A 47 24.977 23.004 26.498 1.00 14.32 H new ATOM 0 HB VAL A 47 26.152 20.520 27.141 1.00 14.56 H new ATOM 0 HG11 VAL A 47 26.570 21.543 29.251 1.00 14.94 H new ATOM 0 HG12 VAL A 47 27.257 22.387 28.101 1.00 14.94 H new ATOM 0 HG13 VAL A 47 25.888 22.874 28.731 1.00 14.94 H new ATOM 0 HG21 VAL A 47 24.507 20.270 28.820 1.00 15.05 H new ATOM 0 HG22 VAL A 47 23.796 21.592 28.316 1.00 15.05 H new ATOM 0 HG23 VAL A 47 23.821 20.305 27.393 1.00 15.05 H new ATOM 358 N HIS A 48 27.064 23.822 25.510 1.00 14.77 N ATOM 359 CA HIS A 48 28.296 24.282 24.846 1.00 15.31 C ATOM 360 C HIS A 48 29.419 24.535 25.857 1.00 16.42 C ATOM 361 O HIS A 48 29.826 25.685 26.105 1.00 17.42 O ATOM 362 CB HIS A 48 28.207 25.612 24.059 1.00 15.90 C ATOM 363 CG HIS A 48 27.050 25.597 23.104 1.00 15.90 C ATOM 364 ND1 HIS A 48 27.167 25.243 21.794 1.00 16.55 N ATOM 365 CD2 HIS A 48 25.752 25.897 23.302 1.00 16.14 C ATOM 366 CE1 HIS A 48 25.973 25.309 21.228 1.00 16.63 C ATOM 367 NE2 HIS A 48 25.095 25.696 22.125 1.00 16.40 N ATOM 0 H HIS A 48 26.628 24.437 25.925 1.00 14.77 H new ATOM 0 HA HIS A 48 28.461 23.552 24.229 1.00 15.31 H new ATOM 0 HB2 HIS A 48 28.110 26.352 24.678 1.00 15.90 H new ATOM 0 HB3 HIS A 48 29.032 25.758 23.570 1.00 15.90 H new ATOM 0 HD2 HIS A 48 25.372 26.189 24.099 1.00 16.14 H new ATOM 0 HE1 HIS A 48 25.786 25.113 20.338 1.00 16.63 H new ATOM 0 HE2 HIS A 48 24.252 25.804 21.993 1.00 16.40 H new ATOM 368 N GLU A 49 29.912 23.475 26.423 1.00 15.95 N ATOM 369 CA GLU A 49 31.013 23.471 27.398 1.00 16.21 C ATOM 370 C GLU A 49 31.771 22.173 27.075 1.00 15.36 C ATOM 371 O GLU A 49 31.203 21.346 26.334 1.00 15.28 O ATOM 372 CB GLU A 49 30.537 23.527 28.835 1.00 16.47 C ATOM 373 CG GLU A 49 29.692 24.691 29.314 1.00 17.28 C ATOM 374 CD GLU A 49 30.300 26.063 29.197 1.00 18.13 C ATOM 375 OE1 GLU A 49 31.553 26.047 29.173 1.00 18.72 O ATOM 376 OE2 GLU A 49 29.632 27.089 29.136 1.00 17.95 O ATOM 0 H GLU A 49 29.614 22.686 26.255 1.00 15.95 H new ATOM 0 HA GLU A 49 31.572 24.260 27.324 1.00 16.21 H new ATOM 0 HB2 GLU A 49 30.031 22.716 29.002 1.00 16.47 H new ATOM 0 HB3 GLU A 49 31.324 23.491 29.400 1.00 16.47 H new ATOM 0 HG2 GLU A 49 28.860 24.686 28.816 1.00 17.28 H new ATOM 0 HG3 GLU A 49 29.467 24.538 30.245 1.00 17.28 H new ATOM 377 N SER A 50 32.972 22.045 27.606 1.00 15.43 N ATOM 378 CA SER A 50 33.767 20.834 27.364 1.00 15.94 C ATOM 379 C SER A 50 33.104 19.642 28.064 1.00 16.55 C ATOM 380 O SER A 50 32.392 19.809 29.090 1.00 16.64 O ATOM 381 CB SER A 50 35.200 20.990 27.888 1.00 15.76 C ATOM 382 OG SER A 50 35.154 20.969 29.308 1.00 15.50 O ATOM 0 H SER A 50 33.350 22.634 28.105 1.00 15.43 H new ATOM 0 HA SER A 50 33.806 20.686 26.406 1.00 15.94 H new ATOM 0 HB2 SER A 50 35.762 20.272 27.556 1.00 15.76 H new ATOM 0 HB3 SER A 50 35.587 21.822 27.574 1.00 15.76 H new ATOM 0 HG SER A 50 35.931 21.052 29.615 1.00 15.50 H new ATOM 383 N LEU A 51 33.374 18.461 27.511 1.00 16.98 N ATOM 384 CA LEU A 51 32.842 17.220 28.116 1.00 17.36 C ATOM 385 C LEU A 51 33.268 17.191 29.571 1.00 17.10 C ATOM 386 O LEU A 51 32.414 16.943 30.442 1.00 17.51 O ATOM 387 CB LEU A 51 33.284 16.021 27.280 1.00 18.15 C ATOM 388 CG LEU A 51 32.778 14.618 27.650 1.00 18.99 C ATOM 389 CD1 LEU A 51 31.240 14.561 27.709 1.00 19.23 C ATOM 390 CD2 LEU A 51 33.235 13.715 26.487 1.00 19.08 C ATOM 0 H LEU A 51 33.850 18.348 26.804 1.00 16.98 H new ATOM 0 HA LEU A 51 31.873 17.184 28.113 1.00 17.36 H new ATOM 0 HB2 LEU A 51 33.021 16.193 26.362 1.00 18.15 H new ATOM 0 HB3 LEU A 51 34.253 15.995 27.297 1.00 18.15 H new ATOM 0 HG LEU A 51 33.117 14.354 28.520 1.00 18.99 H new ATOM 0 HD11 LEU A 51 30.958 13.663 27.945 1.00 19.23 H new ATOM 0 HD12 LEU A 51 30.918 15.186 28.377 1.00 19.23 H new ATOM 0 HD13 LEU A 51 30.874 14.798 26.843 1.00 19.23 H new ATOM 0 HD21 LEU A 51 32.948 12.803 26.653 1.00 19.08 H new ATOM 0 HD22 LEU A 51 32.843 14.031 25.658 1.00 19.08 H new ATOM 0 HD23 LEU A 51 34.202 13.741 26.417 1.00 19.08 H new ATOM 391 N ALA A 52 34.521 17.437 29.905 1.00 16.38 N ATOM 392 CA ALA A 52 35.021 17.467 31.287 1.00 16.15 C ATOM 393 C ALA A 52 34.252 18.382 32.231 1.00 15.69 C ATOM 394 O ALA A 52 34.005 17.997 33.393 1.00 15.97 O ATOM 395 CB ALA A 52 36.509 17.876 31.314 1.00 16.54 C ATOM 0 H ALA A 52 35.132 17.598 29.322 1.00 16.38 H new ATOM 0 HA ALA A 52 34.894 16.562 31.611 1.00 16.15 H new ATOM 0 HB1 ALA A 52 36.824 17.891 32.231 1.00 16.54 H new ATOM 0 HB2 ALA A 52 37.030 17.236 30.804 1.00 16.54 H new ATOM 0 HB3 ALA A 52 36.609 18.758 30.923 1.00 16.54 H new ATOM 396 N ASP A 53 33.887 19.565 31.775 1.00 15.56 N ATOM 397 CA ASP A 53 33.113 20.509 32.604 1.00 15.85 C ATOM 398 C ASP A 53 31.684 19.964 32.865 1.00 15.76 C ATOM 399 O ASP A 53 31.142 20.242 33.955 1.00 16.00 O ATOM 400 CB ASP A 53 33.092 21.933 32.059 1.00 16.10 C ATOM 401 CG ASP A 53 34.395 22.688 32.227 1.00 17.07 C ATOM 402 OD1 ASP A 53 35.337 22.213 32.849 1.00 17.98 O ATOM 403 OD2 ASP A 53 34.514 23.780 31.665 1.00 17.88 O ATOM 0 H ASP A 53 34.072 19.854 30.986 1.00 15.56 H new ATOM 0 HA ASP A 53 33.577 20.574 33.453 1.00 15.85 H new ATOM 0 HB2 ASP A 53 32.868 21.903 31.116 1.00 16.10 H new ATOM 0 HB3 ASP A 53 32.385 22.427 32.503 1.00 16.10 H new ATOM 404 N VAL A 54 31.116 19.254 31.903 1.00 15.36 N ATOM 405 CA VAL A 54 29.741 18.714 32.121 1.00 14.86 C ATOM 406 C VAL A 54 29.849 17.540 33.081 1.00 14.47 C ATOM 407 O VAL A 54 29.105 17.445 34.063 1.00 14.61 O ATOM 408 CB VAL A 54 29.014 18.460 30.787 1.00 14.78 C ATOM 409 CG1 VAL A 54 27.633 17.840 31.026 1.00 13.95 C ATOM 410 CG2 VAL A 54 28.908 19.749 29.985 1.00 14.14 C ATOM 0 H VAL A 54 31.474 19.069 31.143 1.00 15.36 H new ATOM 0 HA VAL A 54 29.157 19.360 32.548 1.00 14.86 H new ATOM 0 HB VAL A 54 29.535 17.826 30.270 1.00 14.78 H new ATOM 0 HG11 VAL A 54 27.194 17.689 30.174 1.00 13.95 H new ATOM 0 HG12 VAL A 54 27.734 16.995 31.492 1.00 13.95 H new ATOM 0 HG13 VAL A 54 27.096 18.443 31.563 1.00 13.95 H new ATOM 0 HG21 VAL A 54 28.449 19.573 29.149 1.00 14.14 H new ATOM 0 HG22 VAL A 54 28.410 20.407 30.495 1.00 14.14 H new ATOM 0 HG23 VAL A 54 29.797 20.089 29.799 1.00 14.14 H new ATOM 411 N GLN A 55 30.822 16.695 32.794 1.00 15.17 N ATOM 412 CA GLN A 55 31.111 15.512 33.632 1.00 16.09 C ATOM 413 C GLN A 55 31.336 15.913 35.084 1.00 16.42 C ATOM 414 O GLN A 55 30.892 15.227 36.017 1.00 17.05 O ATOM 415 CB GLN A 55 32.299 14.699 33.101 1.00 16.43 C ATOM 416 CG GLN A 55 31.925 13.885 31.873 1.00 17.46 C ATOM 417 CD GLN A 55 33.068 13.048 31.346 1.00 18.36 C ATOM 418 OE1 GLN A 55 32.952 12.128 30.553 1.00 19.08 O ATOM 419 NE2 GLN A 55 34.253 13.432 31.795 1.00 18.98 N ATOM 0 H GLN A 55 31.340 16.778 32.113 1.00 15.17 H new ATOM 0 HA GLN A 55 30.330 14.938 33.589 1.00 16.09 H new ATOM 0 HB2 GLN A 55 33.029 15.299 32.881 1.00 16.43 H new ATOM 0 HB3 GLN A 55 32.621 14.105 33.797 1.00 16.43 H new ATOM 0 HG2 GLN A 55 31.180 13.304 32.091 1.00 17.46 H new ATOM 0 HG3 GLN A 55 31.621 14.485 31.174 1.00 17.46 H new ATOM 0 HE21 GLN A 55 34.311 14.083 32.354 1.00 18.98 H new ATOM 0 HE22 GLN A 55 34.965 13.030 31.528 1.00 18.98 H new ATOM 420 N ALA A 56 32.016 17.039 35.303 1.00 16.54 N ATOM 421 CA ALA A 56 32.328 17.545 36.650 1.00 15.89 C ATOM 422 C ALA A 56 31.103 17.853 37.492 1.00 15.79 C ATOM 423 O ALA A 56 31.139 17.862 38.736 1.00 15.12 O ATOM 424 CB ALA A 56 33.241 18.748 36.470 1.00 15.71 C ATOM 0 H ALA A 56 32.314 17.539 34.670 1.00 16.54 H new ATOM 0 HA ALA A 56 32.774 16.851 37.160 1.00 15.89 H new ATOM 0 HB1 ALA A 56 33.471 19.113 37.339 1.00 15.71 H new ATOM 0 HB2 ALA A 56 34.050 18.475 36.010 1.00 15.71 H new ATOM 0 HB3 ALA A 56 32.785 19.425 35.946 1.00 15.71 H new ATOM 425 N VAL A 57 29.989 18.093 36.798 1.00 15.60 N ATOM 426 CA VAL A 57 28.735 18.424 37.495 1.00 15.65 C ATOM 427 C VAL A 57 28.320 17.287 38.414 1.00 15.61 C ATOM 428 O VAL A 57 27.667 17.611 39.435 1.00 15.85 O ATOM 429 CB VAL A 57 27.707 18.931 36.462 1.00 15.49 C ATOM 430 CG1 VAL A 57 26.341 19.133 37.125 1.00 15.44 C ATOM 431 CG2 VAL A 57 28.215 20.191 35.746 1.00 14.74 C ATOM 0 H VAL A 57 29.934 18.071 35.940 1.00 15.60 H new ATOM 0 HA VAL A 57 28.836 19.165 38.113 1.00 15.65 H new ATOM 0 HB VAL A 57 27.593 18.257 35.774 1.00 15.49 H new ATOM 0 HG11 VAL A 57 25.705 19.451 36.466 1.00 15.44 H new ATOM 0 HG12 VAL A 57 26.031 18.290 37.492 1.00 15.44 H new ATOM 0 HG13 VAL A 57 26.421 19.786 37.838 1.00 15.44 H new ATOM 0 HG21 VAL A 57 27.552 20.488 35.104 1.00 14.74 H new ATOM 0 HG22 VAL A 57 28.371 20.893 36.397 1.00 14.74 H new ATOM 0 HG23 VAL A 57 29.044 19.989 35.284 1.00 14.74 H new ATOM 432 N CYS A 58 28.682 16.046 38.103 1.00 15.96 N ATOM 433 CA CYS A 58 28.333 14.906 38.963 1.00 16.83 C ATOM 434 C CYS A 58 28.926 14.998 40.366 1.00 17.34 C ATOM 435 O CYS A 58 28.535 14.203 41.252 1.00 17.35 O ATOM 436 CB CYS A 58 28.634 13.577 38.298 1.00 17.23 C ATOM 437 SG CYS A 58 27.738 13.293 36.749 1.00 18.19 S ATOM 0 H CYS A 58 29.130 15.838 37.399 1.00 15.96 H new ATOM 0 HA CYS A 58 27.372 14.953 39.084 1.00 16.83 H new ATOM 0 HB2 CYS A 58 29.586 13.525 38.122 1.00 17.23 H new ATOM 0 HB3 CYS A 58 28.420 12.862 38.918 1.00 17.23 H new ATOM 438 N SER A 59 29.811 15.955 40.599 1.00 18.61 N ATOM 439 CA SER A 59 30.441 16.232 41.907 1.00 19.31 C ATOM 440 C SER A 59 29.959 17.566 42.490 1.00 19.23 C ATOM 441 O SER A 59 30.580 18.006 43.485 1.00 19.81 O ATOM 442 CB SER A 59 31.953 16.397 41.843 1.00 19.73 C ATOM 443 OG SER A 59 32.576 15.221 41.375 1.00 21.98 O ATOM 0 H SER A 59 30.080 16.489 39.981 1.00 18.61 H new ATOM 0 HA SER A 59 30.194 15.460 42.441 1.00 19.31 H new ATOM 0 HB2 SER A 59 32.175 17.138 41.258 1.00 19.73 H new ATOM 0 HB3 SER A 59 32.294 16.618 42.724 1.00 19.73 H new ATOM 0 HG SER A 59 33.408 15.336 41.347 1.00 21.98 H new ATOM 444 N GLN A 60 28.958 18.173 41.899 1.00 18.66 N ATOM 445 CA GLN A 60 28.472 19.474 42.365 1.00 18.33 C ATOM 446 C GLN A 60 27.310 19.404 43.322 1.00 18.50 C ATOM 447 O GLN A 60 27.385 18.508 44.186 1.00 18.97 O ATOM 448 CB GLN A 60 28.405 20.455 41.190 1.00 17.51 C ATOM 449 CG GLN A 60 29.810 20.527 40.588 1.00 17.73 C ATOM 450 CD GLN A 60 29.933 21.452 39.436 1.00 17.92 C ATOM 451 OE1 GLN A 60 29.115 22.350 39.220 1.00 19.25 O ATOM 452 NE2 GLN A 60 30.977 21.212 38.663 1.00 18.77 N ATOM 0 H GLN A 60 28.535 17.856 41.220 1.00 18.66 H new ATOM 0 HA GLN A 60 29.120 19.869 42.969 1.00 18.33 H new ATOM 0 HB2 GLN A 60 27.763 20.154 40.528 1.00 17.51 H new ATOM 0 HB3 GLN A 60 28.115 21.331 41.490 1.00 17.51 H new ATOM 0 HG2 GLN A 60 30.433 20.803 41.279 1.00 17.73 H new ATOM 0 HG3 GLN A 60 30.075 19.638 40.305 1.00 17.73 H new ATOM 0 HE21 GLN A 60 31.518 20.573 38.858 1.00 18.77 H new ATOM 0 HE22 GLN A 60 31.115 21.695 37.965 1.00 18.77 H new ATOM 453 N LYS A 61 26.334 20.295 43.272 1.00 18.42 N ATOM 454 CA LYS A 61 25.238 20.272 44.269 1.00 18.55 C ATOM 455 C LYS A 61 24.225 19.154 44.035 1.00 18.77 C ATOM 456 O LYS A 61 23.609 19.050 42.978 1.00 18.00 O ATOM 457 CB LYS A 61 24.614 21.655 44.227 1.00 19.19 C ATOM 458 CG LYS A 61 23.618 21.937 45.358 1.00 20.52 C ATOM 459 CD LYS A 61 24.379 22.081 46.695 1.00 21.31 C ATOM 460 CE LYS A 61 23.408 22.350 47.825 1.00 22.43 C ATOM 461 NZ LYS A 61 24.068 23.064 48.946 1.00 23.00 N ATOM 0 H LYS A 61 26.274 20.919 42.683 1.00 18.42 H new ATOM 0 HA LYS A 61 25.585 20.071 45.152 1.00 18.55 H new ATOM 0 HB2 LYS A 61 25.321 22.318 44.261 1.00 19.19 H new ATOM 0 HB3 LYS A 61 24.161 21.767 43.377 1.00 19.19 H new ATOM 0 HG2 LYS A 61 23.121 22.748 45.169 1.00 20.52 H new ATOM 0 HG3 LYS A 61 22.972 21.216 45.419 1.00 20.52 H new ATOM 0 HD2 LYS A 61 24.881 21.271 46.877 1.00 21.31 H new ATOM 0 HD3 LYS A 61 25.021 22.805 46.633 1.00 21.31 H new ATOM 0 HE2 LYS A 61 22.664 22.878 47.496 1.00 22.43 H new ATOM 0 HE3 LYS A 61 23.041 21.511 48.145 1.00 22.43 H new ATOM 0 HZ1 LYS A 61 23.477 23.209 49.595 1.00 23.00 H new ATOM 0 HZ2 LYS A 61 24.737 22.569 49.260 1.00 23.00 H new ATOM 0 HZ3 LYS A 61 24.386 23.843 48.656 1.00 23.00 H new ATOM 462 N ASN A 62 24.019 18.280 45.010 1.00 18.87 N ATOM 463 CA ASN A 62 23.071 17.155 44.895 1.00 19.70 C ATOM 464 C ASN A 62 21.689 17.730 45.164 1.00 20.25 C ATOM 465 O ASN A 62 21.465 18.447 46.147 1.00 20.87 O ATOM 466 CB ASN A 62 23.513 15.994 45.774 1.00 20.11 C ATOM 467 CG ASN A 62 22.604 14.782 45.688 1.00 21.00 C ATOM 468 OD1 ASN A 62 22.201 14.293 46.752 1.00 21.64 O ATOM 469 ND2 ASN A 62 22.291 14.306 44.491 1.00 20.78 N ATOM 0 H ASN A 62 24.424 18.315 45.768 1.00 18.87 H new ATOM 0 HA ASN A 62 23.045 16.754 44.012 1.00 19.70 H new ATOM 0 HB2 ASN A 62 24.412 15.732 45.522 1.00 20.11 H new ATOM 0 HB3 ASN A 62 23.553 16.294 46.696 1.00 20.11 H new ATOM 0 HD21 ASN A 62 21.780 13.618 44.422 1.00 20.78 H new ATOM 0 HD22 ASN A 62 22.599 14.685 43.783 1.00 20.78 H new ATOM 470 N VAL A 63 20.766 17.449 44.275 1.00 20.14 N ATOM 471 CA VAL A 63 19.375 17.887 44.301 1.00 20.60 C ATOM 472 C VAL A 63 18.503 16.721 43.806 1.00 21.07 C ATOM 473 O VAL A 63 19.048 15.754 43.265 1.00 21.21 O ATOM 474 CB VAL A 63 19.141 19.082 43.347 1.00 20.53 C ATOM 475 CG1 VAL A 63 19.787 20.395 43.825 1.00 20.91 C ATOM 476 CG2 VAL A 63 19.660 18.712 41.957 1.00 20.58 C ATOM 0 H VAL A 63 20.939 16.963 43.587 1.00 20.14 H new ATOM 0 HA VAL A 63 19.152 18.157 45.206 1.00 20.60 H new ATOM 0 HB VAL A 63 18.186 19.251 43.328 1.00 20.53 H new ATOM 0 HG11 VAL A 63 19.602 21.099 43.184 1.00 20.91 H new ATOM 0 HG12 VAL A 63 19.420 20.641 44.689 1.00 20.91 H new ATOM 0 HG13 VAL A 63 20.746 20.274 43.904 1.00 20.91 H new ATOM 0 HG21 VAL A 63 19.518 19.455 41.350 1.00 20.58 H new ATOM 0 HG22 VAL A 63 20.608 18.513 42.008 1.00 20.58 H new ATOM 0 HG23 VAL A 63 19.184 17.933 41.630 1.00 20.58 H new ATOM 477 N ALA A 64 17.208 16.904 43.965 1.00 21.88 N ATOM 478 CA ALA A 64 16.259 15.861 43.485 1.00 22.07 C ATOM 479 C ALA A 64 16.010 16.111 41.991 1.00 22.46 C ATOM 480 O ALA A 64 16.110 17.246 41.479 1.00 22.45 O ATOM 481 CB ALA A 64 14.980 15.883 44.302 1.00 21.88 C ATOM 0 H ALA A 64 16.847 17.593 44.332 1.00 21.88 H new ATOM 0 HA ALA A 64 16.631 14.973 43.599 1.00 22.07 H new ATOM 0 HB1 ALA A 64 14.375 15.198 43.975 1.00 21.88 H new ATOM 0 HB2 ALA A 64 15.188 15.712 45.234 1.00 21.88 H new ATOM 0 HB3 ALA A 64 14.558 16.752 44.219 1.00 21.88 H new ATOM 482 N CYS A 65 15.703 15.004 41.317 1.00 23.10 N ATOM 483 CA CYS A 65 15.380 14.960 39.891 1.00 23.52 C ATOM 484 C CYS A 65 13.859 15.231 39.838 1.00 25.56 C ATOM 485 O CYS A 65 13.167 14.995 40.844 1.00 25.78 O ATOM 486 CB CYS A 65 15.726 13.642 39.219 1.00 22.16 C ATOM 487 SG CYS A 65 17.425 13.084 39.392 1.00 20.40 S ATOM 0 H CYS A 65 15.676 14.230 41.691 1.00 23.10 H new ATOM 0 HA CYS A 65 15.906 15.611 39.401 1.00 23.52 H new ATOM 0 HB2 CYS A 65 15.142 12.955 39.577 1.00 22.16 H new ATOM 0 HB3 CYS A 65 15.526 13.720 38.273 1.00 22.16 H new ATOM 488 N LYS A 66 13.377 15.721 38.707 1.00 27.39 N ATOM 489 CA LYS A 66 11.961 16.034 38.505 1.00 29.16 C ATOM 490 C LYS A 66 11.113 14.810 38.850 1.00 29.83 C ATOM 491 O LYS A 66 9.952 14.910 39.292 1.00 29.66 O ATOM 492 CB LYS A 66 11.750 16.487 37.064 1.00 30.75 C ATOM 493 CG LYS A 66 10.592 15.778 36.384 1.00 32.95 C ATOM 494 CD LYS A 66 9.215 16.013 37.005 1.00 34.88 C ATOM 495 CE LYS A 66 8.130 15.196 36.304 1.00 35.98 C ATOM 496 NZ LYS A 66 6.968 14.853 37.169 1.00 36.75 N ATOM 0 H LYS A 66 13.868 15.886 38.020 1.00 27.39 H new ATOM 0 HA LYS A 66 11.685 16.757 39.090 1.00 29.16 H new ATOM 0 HB2 LYS A 66 11.590 17.444 37.051 1.00 30.75 H new ATOM 0 HB3 LYS A 66 12.562 16.328 36.558 1.00 30.75 H new ATOM 0 HG2 LYS A 66 10.562 16.059 35.456 1.00 32.95 H new ATOM 0 HG3 LYS A 66 10.771 14.825 36.386 1.00 32.95 H new ATOM 0 HD2 LYS A 66 9.240 15.778 37.946 1.00 34.88 H new ATOM 0 HD3 LYS A 66 8.994 16.956 36.954 1.00 34.88 H new ATOM 0 HE2 LYS A 66 7.812 15.693 35.534 1.00 35.98 H new ATOM 0 HE3 LYS A 66 8.524 14.375 35.968 1.00 35.98 H new ATOM 0 HZ1 LYS A 66 6.378 14.380 36.700 1.00 36.75 H new ATOM 0 HZ2 LYS A 66 7.247 14.373 37.865 1.00 36.75 H new ATOM 0 HZ3 LYS A 66 6.583 15.601 37.460 1.00 36.75 H new ATOM 497 N ASN A 67 11.730 13.643 38.658 1.00 30.03 N ATOM 498 CA ASN A 67 11.054 12.379 38.947 1.00 30.72 C ATOM 499 C ASN A 67 11.192 12.021 40.416 1.00 30.71 C ATOM 500 O ASN A 67 10.680 10.926 40.731 1.00 31.49 O ATOM 501 CB ASN A 67 11.552 11.269 38.040 1.00 31.57 C ATOM 502 CG ASN A 67 12.962 10.789 38.349 1.00 32.10 C ATOM 503 OD1 ASN A 67 13.546 10.959 39.429 1.00 32.09 O ATOM 504 ND2 ASN A 67 13.513 10.128 37.323 1.00 32.63 N ATOM 0 H ASN A 67 12.534 13.562 38.363 1.00 30.03 H new ATOM 0 HA ASN A 67 10.108 12.489 38.762 1.00 30.72 H new ATOM 0 HB2 ASN A 67 10.944 10.516 38.105 1.00 31.57 H new ATOM 0 HB3 ASN A 67 11.522 11.579 37.121 1.00 31.57 H new ATOM 0 HD21 ASN A 67 14.305 9.800 37.398 1.00 32.63 H new ATOM 0 HD22 ASN A 67 13.075 10.031 36.589 1.00 32.63 H new ATOM 505 N GLY A 68 11.845 12.809 41.237 1.00 29.98 N ATOM 506 CA GLY A 68 11.989 12.494 42.652 1.00 29.29 C ATOM 507 C GLY A 68 13.150 11.586 42.990 1.00 29.44 C ATOM 508 O GLY A 68 13.406 11.375 44.200 1.00 29.33 O ATOM 0 H GLY A 68 12.221 13.545 40.998 1.00 29.98 H new ATOM 0 HA2 GLY A 68 12.090 13.323 43.145 1.00 29.29 H new ATOM 0 HA3 GLY A 68 11.170 12.078 42.962 1.00 29.29 H new ATOM 509 N GLN A 69 13.842 11.098 41.971 1.00 29.27 N ATOM 510 CA GLN A 69 15.025 10.228 42.283 1.00 29.93 C ATOM 511 C GLN A 69 16.083 11.183 42.828 1.00 28.83 C ATOM 512 O GLN A 69 15.955 12.410 42.592 1.00 28.51 O ATOM 513 CB GLN A 69 15.277 9.320 41.098 1.00 31.88 C ATOM 514 CG GLN A 69 14.565 7.984 41.089 1.00 34.06 C ATOM 515 CD GLN A 69 13.175 7.903 41.666 1.00 35.85 C ATOM 516 OE1 GLN A 69 12.923 7.841 42.891 1.00 36.78 O ATOM 517 NE2 GLN A 69 12.150 7.863 40.786 1.00 36.67 N ATOM 0 H GLN A 69 13.677 11.233 41.138 1.00 29.27 H new ATOM 0 HA GLN A 69 14.946 9.560 42.982 1.00 29.93 H new ATOM 0 HB2 GLN A 69 15.027 9.800 40.293 1.00 31.88 H new ATOM 0 HB3 GLN A 69 16.231 9.153 41.044 1.00 31.88 H new ATOM 0 HG2 GLN A 69 14.520 7.680 40.169 1.00 34.06 H new ATOM 0 HG3 GLN A 69 15.121 7.351 41.570 1.00 34.06 H new ATOM 0 HE21 GLN A 69 12.307 7.905 39.941 1.00 36.67 H new ATOM 0 HE22 GLN A 69 11.341 7.796 41.071 1.00 36.67 H new ATOM 518 N THR A 70 17.086 10.737 43.568 1.00 27.63 N ATOM 519 CA THR A 70 18.053 11.696 44.132 1.00 26.74 C ATOM 520 C THR A 70 19.453 11.630 43.549 1.00 25.37 C ATOM 521 O THR A 70 20.409 11.959 44.289 1.00 25.46 O ATOM 522 CB THR A 70 18.002 11.711 45.712 1.00 27.19 C ATOM 523 OG1 THR A 70 17.821 10.373 46.236 1.00 28.09 O ATOM 524 CG2 THR A 70 16.922 12.611 46.315 1.00 27.55 C ATOM 0 H THR A 70 17.231 9.911 43.757 1.00 27.63 H new ATOM 0 HA THR A 70 17.754 12.570 43.835 1.00 26.74 H new ATOM 0 HB THR A 70 18.860 12.081 45.973 1.00 27.19 H new ATOM 0 HG1 THR A 70 17.798 10.401 47.075 1.00 28.09 H new ATOM 0 HG21 THR A 70 16.962 12.560 47.283 1.00 27.55 H new ATOM 0 HG22 THR A 70 17.070 13.527 46.033 1.00 27.55 H new ATOM 0 HG23 THR A 70 16.049 12.317 46.012 1.00 27.55 H new ATOM 525 N ASN A 71 19.583 11.263 42.279 1.00 23.60 N ATOM 526 CA ASN A 71 20.957 11.199 41.693 1.00 21.85 C ATOM 527 C ASN A 71 21.180 12.363 40.725 1.00 20.30 C ATOM 528 O ASN A 71 21.955 12.215 39.765 1.00 19.78 O ATOM 529 CB ASN A 71 21.195 9.797 41.112 1.00 22.49 C ATOM 530 CG ASN A 71 20.223 9.510 39.964 1.00 22.81 C ATOM 531 OD1 ASN A 71 19.018 9.821 40.103 1.00 22.99 O ATOM 532 ND2 ASN A 71 20.685 8.979 38.829 1.00 22.68 N ATOM 0 H ASN A 71 18.938 11.054 41.750 1.00 23.60 H new ATOM 0 HA ASN A 71 21.637 11.319 42.374 1.00 21.85 H new ATOM 0 HB2 ASN A 71 22.108 9.726 40.793 1.00 22.49 H new ATOM 0 HB3 ASN A 71 21.085 9.131 41.809 1.00 22.49 H new ATOM 0 HD21 ASN A 71 20.150 8.842 38.169 1.00 22.68 H new ATOM 0 HD22 ASN A 71 21.517 8.774 38.758 1.00 22.68 H new ATOM 533 N CYS A 72 20.544 13.484 40.953 1.00 18.75 N ATOM 534 CA CYS A 72 20.666 14.701 40.129 1.00 18.71 C ATOM 535 C CYS A 72 21.640 15.690 40.772 1.00 18.46 C ATOM 536 O CYS A 72 21.848 15.675 41.995 1.00 18.60 O ATOM 537 CB CYS A 72 19.343 15.338 39.769 1.00 18.94 C ATOM 538 SG CYS A 72 18.517 14.486 38.373 1.00 19.55 S ATOM 0 H CYS A 72 20.003 13.580 41.614 1.00 18.75 H new ATOM 0 HA CYS A 72 21.035 14.422 39.277 1.00 18.71 H new ATOM 0 HB2 CYS A 72 18.759 15.326 40.544 1.00 18.94 H new ATOM 0 HB3 CYS A 72 19.487 16.269 39.537 1.00 18.94 H new ATOM 539 N TYR A 73 22.293 16.505 39.963 1.00 18.01 N ATOM 540 CA TYR A 73 23.292 17.495 40.410 1.00 17.65 C ATOM 541 C TYR A 73 23.109 18.773 39.612 1.00 17.26 C ATOM 542 O TYR A 73 22.894 18.619 38.373 1.00 17.06 O ATOM 543 CB TYR A 73 24.715 16.930 40.145 1.00 17.60 C ATOM 544 CG TYR A 73 24.985 15.763 41.055 1.00 18.41 C ATOM 545 CD1 TYR A 73 25.488 15.943 42.360 1.00 18.72 C ATOM 546 CD2 TYR A 73 24.678 14.476 40.606 1.00 18.54 C ATOM 547 CE1 TYR A 73 25.678 14.831 43.178 1.00 19.57 C ATOM 548 CE2 TYR A 73 24.854 13.367 41.417 1.00 19.60 C ATOM 549 CZ TYR A 73 25.354 13.564 42.704 1.00 20.10 C ATOM 550 OH TYR A 73 25.555 12.426 43.449 1.00 21.83 O ATOM 0 H TYR A 73 22.172 16.507 39.111 1.00 18.01 H new ATOM 0 HA TYR A 73 23.180 17.677 41.356 1.00 17.65 H new ATOM 0 HB2 TYR A 73 24.793 16.652 39.219 1.00 17.60 H new ATOM 0 HB3 TYR A 73 25.378 17.623 40.290 1.00 17.60 H new ATOM 0 HD1 TYR A 73 25.691 16.795 42.672 1.00 18.72 H new ATOM 0 HD2 TYR A 73 24.348 14.361 39.744 1.00 18.54 H new ATOM 0 HE1 TYR A 73 26.020 14.935 44.037 1.00 19.57 H new ATOM 0 HE2 TYR A 73 24.644 12.514 41.112 1.00 19.60 H new ATOM 0 HH TYR A 73 25.422 11.750 42.969 1.00 21.83 H new ATOM 551 N GLN A 74 23.181 19.886 40.308 1.00 17.14 N ATOM 552 CA GLN A 74 23.032 21.228 39.718 1.00 17.48 C ATOM 553 C GLN A 74 24.415 21.872 39.642 1.00 17.67 C ATOM 554 O GLN A 74 25.120 21.876 40.666 1.00 17.97 O ATOM 555 CB GLN A 74 22.086 22.141 40.492 1.00 18.73 C ATOM 556 CG GLN A 74 21.726 23.463 39.799 1.00 19.48 C ATOM 557 CD GLN A 74 20.573 24.193 40.477 1.00 20.62 C ATOM 558 OE1 GLN A 74 20.665 25.330 40.977 1.00 21.39 O ATOM 559 NE2 GLN A 74 19.413 23.551 40.553 1.00 20.20 N ATOM 0 H GLN A 74 23.321 19.899 41.157 1.00 17.14 H new ATOM 0 HA GLN A 74 22.636 21.116 38.839 1.00 17.48 H new ATOM 0 HB2 GLN A 74 21.266 21.654 40.671 1.00 18.73 H new ATOM 0 HB3 GLN A 74 22.488 22.344 41.351 1.00 18.73 H new ATOM 0 HG2 GLN A 74 22.506 24.040 39.788 1.00 19.48 H new ATOM 0 HG3 GLN A 74 21.491 23.285 38.875 1.00 19.48 H new ATOM 0 HE21 GLN A 74 19.333 22.765 40.213 1.00 20.20 H new ATOM 0 HE22 GLN A 74 18.741 23.921 40.943 1.00 20.20 H new ATOM 560 N SER A 75 24.740 22.392 38.475 1.00 16.79 N ATOM 561 CA SER A 75 26.085 23.004 38.274 1.00 16.40 C ATOM 562 C SER A 75 26.188 24.252 39.126 1.00 16.17 C ATOM 563 O SER A 75 25.190 24.991 39.234 1.00 16.22 O ATOM 564 CB SER A 75 26.311 23.273 36.797 1.00 15.91 C ATOM 565 OG SER A 75 25.493 24.314 36.280 1.00 15.35 O ATOM 0 H SER A 75 24.224 22.412 37.787 1.00 16.79 H new ATOM 0 HA SER A 75 26.788 22.398 38.557 1.00 16.40 H new ATOM 0 HB2 SER A 75 27.243 23.503 36.656 1.00 15.91 H new ATOM 0 HB3 SER A 75 26.141 22.459 36.297 1.00 15.91 H new ATOM 0 HG SER A 75 25.899 25.047 36.343 1.00 15.35 H new ATOM 566 N TYR A 76 27.362 24.457 39.697 1.00 16.85 N ATOM 567 CA TYR A 76 27.627 25.635 40.540 1.00 17.23 C ATOM 568 C TYR A 76 27.536 26.937 39.751 1.00 17.65 C ATOM 569 O TYR A 76 27.022 28.004 40.149 1.00 18.49 O ATOM 570 CB TYR A 76 29.048 25.499 41.128 1.00 16.80 C ATOM 571 CG TYR A 76 29.172 24.494 42.241 1.00 17.34 C ATOM 572 CD1 TYR A 76 28.112 24.257 43.132 1.00 17.54 C ATOM 573 CD2 TYR A 76 30.328 23.745 42.431 1.00 17.40 C ATOM 574 CE1 TYR A 76 28.207 23.336 44.167 1.00 17.46 C ATOM 575 CE2 TYR A 76 30.415 22.800 43.455 1.00 17.68 C ATOM 576 CZ TYR A 76 29.380 22.618 44.343 1.00 17.36 C ATOM 577 OH TYR A 76 29.526 21.700 45.353 1.00 17.73 O ATOM 0 H TYR A 76 28.033 23.925 39.614 1.00 16.85 H new ATOM 0 HA TYR A 76 26.956 25.669 41.239 1.00 17.23 H new ATOM 0 HB2 TYR A 76 29.658 25.252 40.415 1.00 16.80 H new ATOM 0 HB3 TYR A 76 29.333 26.366 41.457 1.00 16.80 H new ATOM 0 HD1 TYR A 76 27.320 24.733 43.025 1.00 17.54 H new ATOM 0 HD2 TYR A 76 31.055 23.876 41.866 1.00 17.40 H new ATOM 0 HE1 TYR A 76 27.487 23.201 44.740 1.00 17.46 H new ATOM 0 HE2 TYR A 76 31.185 22.285 43.538 1.00 17.68 H new ATOM 0 HH TYR A 76 30.338 21.501 45.436 1.00 17.73 H new ATOM 578 N SER A 77 28.074 26.889 38.552 1.00 17.70 N ATOM 579 CA SER A 77 28.139 28.004 37.630 1.00 18.11 C ATOM 580 C SER A 77 27.153 27.869 36.493 1.00 17.79 C ATOM 581 O SER A 77 26.523 26.819 36.288 1.00 17.31 O ATOM 582 CB SER A 77 29.584 28.114 37.116 1.00 19.56 C ATOM 583 OG SER A 77 29.845 29.491 36.833 1.00 22.15 O ATOM 0 H SER A 77 28.429 26.172 38.236 1.00 17.70 H new ATOM 0 HA SER A 77 27.889 28.818 38.095 1.00 18.11 H new ATOM 0 HB2 SER A 77 30.207 27.780 37.780 1.00 19.56 H new ATOM 0 HB3 SER A 77 29.703 27.575 36.318 1.00 19.56 H new ATOM 0 HG SER A 77 30.632 29.575 36.551 1.00 22.15 H new ATOM 584 N THR A 78 27.055 28.978 35.778 1.00 18.05 N ATOM 585 CA THR A 78 26.149 29.009 34.599 1.00 17.90 C ATOM 586 C THR A 78 26.979 28.419 33.464 1.00 17.66 C ATOM 587 O THR A 78 28.217 28.417 33.546 1.00 17.85 O ATOM 588 CB THR A 78 25.577 30.420 34.252 1.00 18.30 C ATOM 589 OG1 THR A 78 26.777 31.250 34.161 1.00 19.93 O ATOM 590 CG2 THR A 78 24.543 31.013 35.193 1.00 18.63 C ATOM 0 H THR A 78 27.481 29.708 35.937 1.00 18.05 H new ATOM 0 HA THR A 78 25.342 28.501 34.777 1.00 17.90 H new ATOM 0 HB THR A 78 25.050 30.363 33.440 1.00 18.30 H new ATOM 0 HG1 THR A 78 27.452 30.758 34.069 1.00 19.93 H new ATOM 0 HG21 THR A 78 24.271 31.885 34.867 1.00 18.63 H new ATOM 0 HG22 THR A 78 23.770 30.428 35.235 1.00 18.63 H new ATOM 0 HG23 THR A 78 24.927 31.105 36.079 1.00 18.63 H new ATOM 591 N MET A 79 26.290 27.904 32.459 1.00 16.67 N ATOM 592 CA MET A 79 26.898 27.283 31.269 1.00 15.60 C ATOM 593 C MET A 79 26.068 27.721 30.036 1.00 14.55 C ATOM 594 O MET A 79 24.867 28.042 30.076 1.00 14.30 O ATOM 595 CB MET A 79 26.932 25.759 31.323 1.00 16.16 C ATOM 596 CG MET A 79 27.623 25.214 32.544 1.00 17.26 C ATOM 597 SD MET A 79 27.703 23.401 32.376 1.00 18.57 S ATOM 598 CE MET A 79 28.929 22.963 33.584 1.00 18.48 C ATOM 0 H MET A 79 25.430 27.901 32.440 1.00 16.67 H new ATOM 0 HA MET A 79 27.821 27.577 31.222 1.00 15.60 H new ATOM 0 HB2 MET A 79 26.023 25.422 31.298 1.00 16.16 H new ATOM 0 HB3 MET A 79 27.381 25.425 30.531 1.00 16.16 H new ATOM 0 HG2 MET A 79 28.514 25.588 32.625 1.00 17.26 H new ATOM 0 HG3 MET A 79 27.138 25.460 33.347 1.00 17.26 H new ATOM 0 HE1 MET A 79 29.056 22.001 33.582 1.00 18.48 H new ATOM 0 HE2 MET A 79 29.768 23.400 33.367 1.00 18.48 H new ATOM 0 HE3 MET A 79 28.634 23.248 34.463 1.00 18.48 H new ATOM 599 N SER A 80 26.768 27.703 28.924 1.00 13.89 N ATOM 600 CA SER A 80 26.197 28.061 27.622 1.00 14.08 C ATOM 601 C SER A 80 25.349 26.896 27.129 1.00 13.82 C ATOM 602 O SER A 80 25.836 25.776 26.933 1.00 15.00 O ATOM 603 CB SER A 80 27.307 28.410 26.616 1.00 14.03 C ATOM 604 OG SER A 80 26.714 28.695 25.349 1.00 14.46 O ATOM 0 H SER A 80 27.598 27.482 28.891 1.00 13.89 H new ATOM 0 HA SER A 80 25.639 28.849 27.712 1.00 14.08 H new ATOM 0 HB2 SER A 80 27.814 29.176 26.929 1.00 14.03 H new ATOM 0 HB3 SER A 80 27.930 27.671 26.535 1.00 14.03 H new ATOM 0 HG SER A 80 27.307 28.955 24.814 1.00 14.46 H new ATOM 605 N ILE A 81 24.074 27.150 26.932 1.00 13.98 N ATOM 606 CA ILE A 81 23.146 26.107 26.447 1.00 14.15 C ATOM 607 C ILE A 81 22.291 26.661 25.320 1.00 14.05 C ATOM 608 O ILE A 81 22.161 27.884 25.105 1.00 13.94 O ATOM 609 CB ILE A 81 22.272 25.525 27.620 1.00 15.24 C ATOM 610 CG1 ILE A 81 21.299 26.607 28.172 1.00 16.22 C ATOM 611 CG2 ILE A 81 23.117 24.945 28.805 1.00 15.10 C ATOM 612 CD1 ILE A 81 19.851 26.520 27.626 1.00 17.82 C ATOM 0 H ILE A 81 23.709 27.917 27.069 1.00 13.98 H new ATOM 0 HA ILE A 81 23.664 25.366 26.096 1.00 14.15 H new ATOM 0 HB ILE A 81 21.774 24.788 27.232 1.00 15.24 H new ATOM 0 HG12 ILE A 81 21.271 26.536 29.139 1.00 16.22 H new ATOM 0 HG13 ILE A 81 21.658 27.483 27.963 1.00 16.22 H new ATOM 0 HG21 ILE A 81 22.522 24.604 29.491 1.00 15.10 H new ATOM 0 HG22 ILE A 81 23.680 24.225 28.479 1.00 15.10 H new ATOM 0 HG23 ILE A 81 23.673 25.646 29.179 1.00 15.10 H new ATOM 0 HD11 ILE A 81 19.314 27.226 28.018 1.00 17.82 H new ATOM 0 HD12 ILE A 81 19.862 26.621 26.661 1.00 17.82 H new ATOM 0 HD13 ILE A 81 19.469 25.658 27.856 1.00 17.82 H new ATOM 613 N THR A 82 21.724 25.748 24.558 1.00 13.68 N ATOM 614 CA THR A 82 20.815 26.089 23.475 1.00 13.73 C ATOM 615 C THR A 82 19.574 25.192 23.644 1.00 14.39 C ATOM 616 O THR A 82 19.746 23.966 23.579 1.00 14.75 O ATOM 617 CB THR A 82 21.313 25.927 22.002 1.00 13.17 C ATOM 618 OG1 THR A 82 22.495 26.759 21.894 1.00 13.33 O ATOM 619 CG2 THR A 82 20.207 26.300 21.023 1.00 13.26 C ATOM 0 H THR A 82 21.854 24.903 24.652 1.00 13.68 H new ATOM 0 HA THR A 82 20.672 27.044 23.566 1.00 13.73 H new ATOM 0 HB THR A 82 21.541 25.011 21.778 1.00 13.17 H new ATOM 0 HG1 THR A 82 22.350 27.500 22.261 1.00 13.33 H new ATOM 0 HG21 THR A 82 20.530 26.195 20.114 1.00 13.26 H new ATOM 0 HG22 THR A 82 19.442 25.721 21.163 1.00 13.26 H new ATOM 0 HG23 THR A 82 19.944 27.222 21.168 1.00 13.26 H new ATOM 620 N ASP A 83 18.435 25.789 23.818 1.00 14.88 N ATOM 621 CA ASP A 83 17.157 25.097 23.925 1.00 16.85 C ATOM 622 C ASP A 83 16.602 24.976 22.494 1.00 15.29 C ATOM 623 O ASP A 83 16.576 25.962 21.751 1.00 15.00 O ATOM 624 CB ASP A 83 16.199 25.861 24.867 1.00 20.56 C ATOM 625 CG ASP A 83 14.784 25.788 24.306 1.00 24.44 C ATOM 626 OD1 ASP A 83 13.975 24.864 24.580 1.00 26.53 O ATOM 627 OD2 ASP A 83 14.403 26.695 23.497 1.00 27.16 O ATOM 0 H ASP A 83 18.364 26.644 23.882 1.00 14.88 H new ATOM 0 HA ASP A 83 17.259 24.215 24.315 1.00 16.85 H new ATOM 0 HB2 ASP A 83 16.226 25.475 25.757 1.00 20.56 H new ATOM 0 HB3 ASP A 83 16.479 26.786 24.950 1.00 20.56 H new ATOM 628 N CYS A 84 16.173 23.781 22.125 1.00 14.20 N ATOM 629 CA CYS A 84 15.590 23.475 20.807 1.00 13.81 C ATOM 630 C CYS A 84 14.188 22.957 21.106 1.00 14.70 C ATOM 631 O CYS A 84 14.076 21.988 21.872 1.00 14.37 O ATOM 632 CB CYS A 84 16.345 22.430 19.986 1.00 13.64 C ATOM 633 SG CYS A 84 18.062 22.893 19.632 1.00 13.65 S ATOM 0 H CYS A 84 16.210 23.096 22.644 1.00 14.20 H new ATOM 0 HA CYS A 84 15.620 24.277 20.263 1.00 13.81 H new ATOM 0 HB2 CYS A 84 16.337 21.586 20.464 1.00 13.64 H new ATOM 0 HB3 CYS A 84 15.877 22.287 19.149 1.00 13.64 H new ATOM 634 N ARG A 85 13.195 23.612 20.546 1.00 16.01 N ATOM 635 CA ARG A 85 11.788 23.239 20.712 1.00 18.37 C ATOM 636 C ARG A 85 11.042 23.317 19.366 1.00 19.21 C ATOM 637 O ARG A 85 11.130 24.325 18.656 1.00 18.68 O ATOM 638 CB ARG A 85 10.955 24.130 21.639 1.00 19.04 C ATOM 639 CG ARG A 85 11.383 24.307 23.066 1.00 20.81 C ATOM 640 CD ARG A 85 10.094 24.430 23.881 1.00 21.29 C ATOM 641 NE ARG A 85 10.448 23.969 25.225 1.00 21.53 N ATOM 642 CZ ARG A 85 9.664 23.291 26.056 1.00 21.14 C ATOM 643 NH1 ARG A 85 8.435 22.895 25.818 1.00 21.04 N ATOM 644 NH2 ARG A 85 10.253 23.040 27.229 1.00 22.01 N ATOM 0 H ARG A 85 13.311 24.302 20.046 1.00 16.01 H new ATOM 0 HA ARG A 85 11.856 22.350 21.095 1.00 18.37 H new ATOM 0 HB2 ARG A 85 10.913 25.011 21.236 1.00 19.04 H new ATOM 0 HB3 ARG A 85 10.051 23.778 21.647 1.00 19.04 H new ATOM 0 HG2 ARG A 85 11.913 23.552 23.366 1.00 20.81 H new ATOM 0 HG3 ARG A 85 11.935 25.098 23.167 1.00 20.81 H new ATOM 0 HD2 ARG A 85 9.775 25.346 23.897 1.00 21.29 H new ATOM 0 HD3 ARG A 85 9.385 23.889 23.500 1.00 21.29 H new ATOM 0 HE ARG A 85 11.240 24.155 25.503 1.00 21.53 H new ATOM 0 HH11 ARG A 85 8.065 23.072 25.062 1.00 21.04 H new ATOM 0 HH12 ARG A 85 8.000 22.459 26.418 1.00 21.04 H new ATOM 0 HH21 ARG A 85 11.056 23.313 27.374 1.00 22.01 H new ATOM 0 HH22 ARG A 85 9.829 22.606 27.839 1.00 22.01 H new ATOM 645 N GLU A 86 10.314 22.234 19.112 1.00 20.40 N ATOM 646 CA GLU A 86 9.513 22.145 17.889 1.00 22.11 C ATOM 647 C GLU A 86 8.487 23.284 17.897 1.00 22.94 C ATOM 648 O GLU A 86 7.931 23.620 18.953 1.00 21.91 O ATOM 649 CB GLU A 86 8.642 20.891 17.845 1.00 23.10 C ATOM 650 CG GLU A 86 9.240 19.594 17.297 1.00 25.04 C ATOM 651 CD GLU A 86 8.078 18.702 16.902 1.00 25.94 C ATOM 652 OE1 GLU A 86 7.448 18.381 17.927 1.00 26.86 O ATOM 653 OE2 GLU A 86 7.769 18.419 15.773 1.00 26.75 O ATOM 0 H GLU A 86 10.268 21.546 19.626 1.00 20.40 H new ATOM 0 HA GLU A 86 10.143 22.161 17.151 1.00 22.11 H new ATOM 0 HB2 GLU A 86 8.337 20.714 18.749 1.00 23.10 H new ATOM 0 HB3 GLU A 86 7.856 21.098 17.315 1.00 23.10 H new ATOM 0 HG2 GLU A 86 9.809 19.775 16.533 1.00 25.04 H new ATOM 0 HG3 GLU A 86 9.793 19.161 17.966 1.00 25.04 H new ATOM 654 N THR A 87 8.263 23.786 16.706 1.00 24.88 N ATOM 655 CA THR A 87 7.290 24.866 16.467 1.00 27.39 C ATOM 656 C THR A 87 5.884 24.285 16.459 1.00 28.89 C ATOM 657 O THR A 87 5.635 23.093 16.205 1.00 29.32 O ATOM 658 CB THR A 87 7.655 25.648 15.152 1.00 27.71 C ATOM 659 OG1 THR A 87 7.429 24.653 14.083 1.00 28.63 O ATOM 660 CG2 THR A 87 9.094 26.172 15.160 1.00 27.85 C ATOM 0 H THR A 87 8.667 23.518 15.996 1.00 24.88 H new ATOM 0 HA THR A 87 7.323 25.518 17.184 1.00 27.39 H new ATOM 0 HB THR A 87 7.119 26.448 15.038 1.00 27.71 H new ATOM 0 HG1 THR A 87 7.603 24.998 13.337 1.00 28.63 H new ATOM 0 HG21 THR A 87 9.271 26.645 14.332 1.00 27.85 H new ATOM 0 HG22 THR A 87 9.214 26.776 15.909 1.00 27.85 H new ATOM 0 HG23 THR A 87 9.709 25.427 15.244 1.00 27.85 H new ATOM 661 N GLY A 88 4.924 25.122 16.772 1.00 30.81 N ATOM 662 CA GLY A 88 3.515 24.716 16.848 1.00 33.58 C ATOM 663 C GLY A 88 3.051 24.050 15.564 1.00 35.41 C ATOM 664 O GLY A 88 2.127 23.216 15.588 1.00 36.51 O ATOM 0 H GLY A 88 5.058 25.952 16.950 1.00 30.81 H new ATOM 0 HA2 GLY A 88 3.394 24.105 17.592 1.00 33.58 H new ATOM 0 HA3 GLY A 88 2.963 25.494 17.027 1.00 33.58 H new ATOM 665 N SER A 89 3.652 24.417 14.470 1.00 36.81 N ATOM 666 CA SER A 89 3.359 23.933 13.129 1.00 38.44 C ATOM 667 C SER A 89 4.176 22.734 12.691 1.00 39.26 C ATOM 668 O SER A 89 3.781 22.149 11.649 1.00 40.08 O ATOM 669 CB SER A 89 3.554 25.093 12.150 1.00 39.13 C ATOM 670 OG SER A 89 4.407 24.806 11.056 1.00 40.19 O ATOM 0 H SER A 89 4.288 24.995 14.477 1.00 36.81 H new ATOM 0 HA SER A 89 2.442 23.617 13.137 1.00 38.44 H new ATOM 0 HB2 SER A 89 2.687 25.360 11.807 1.00 39.13 H new ATOM 0 HB3 SER A 89 3.914 25.852 12.635 1.00 39.13 H new ATOM 0 HG SER A 89 4.467 25.483 10.562 1.00 40.19 H new ATOM 671 N SER A 90 5.222 22.366 13.404 1.00 39.31 N ATOM 672 CA SER A 90 6.052 21.215 12.987 1.00 39.86 C ATOM 673 C SER A 90 5.309 19.881 12.845 1.00 40.77 C ATOM 674 O SER A 90 4.383 19.526 13.596 1.00 41.11 O ATOM 675 CB SER A 90 7.265 21.140 13.914 1.00 38.61 C ATOM 676 OG SER A 90 8.107 20.074 13.531 1.00 37.65 O ATOM 0 H SER A 90 5.479 22.754 14.127 1.00 39.31 H new ATOM 0 HA SER A 90 6.341 21.376 12.075 1.00 39.86 H new ATOM 0 HB2 SER A 90 7.756 21.976 13.883 1.00 38.61 H new ATOM 0 HB3 SER A 90 6.973 21.017 14.831 1.00 38.61 H new ATOM 0 HG SER A 90 8.104 19.485 14.130 1.00 37.65 H new ATOM 677 N LYS A 91 5.743 19.095 11.862 1.00 41.81 N ATOM 678 CA LYS A 91 5.163 17.765 11.578 1.00 42.88 C ATOM 679 C LYS A 91 6.145 16.848 10.834 1.00 42.67 C ATOM 680 O LYS A 91 6.761 17.274 9.826 1.00 42.58 O ATOM 681 CB LYS A 91 3.846 17.925 10.805 1.00 43.75 C ATOM 682 CG LYS A 91 2.654 17.241 11.477 1.00 44.74 C ATOM 683 CD LYS A 91 1.484 16.973 10.543 1.00 45.46 C ATOM 684 CE LYS A 91 1.761 15.803 9.609 1.00 46.07 C ATOM 685 NZ LYS A 91 0.558 14.945 9.453 1.00 46.17 N ATOM 0 H LYS A 91 6.386 19.313 11.334 1.00 41.81 H new ATOM 0 HA LYS A 91 4.978 17.332 12.426 1.00 42.88 H new ATOM 0 HB2 LYS A 91 3.652 18.870 10.704 1.00 43.75 H new ATOM 0 HB3 LYS A 91 3.957 17.561 9.913 1.00 43.75 H new ATOM 0 HG2 LYS A 91 2.949 16.400 11.859 1.00 44.74 H new ATOM 0 HG3 LYS A 91 2.348 17.795 12.212 1.00 44.74 H new ATOM 0 HD2 LYS A 91 0.689 16.788 11.066 1.00 45.46 H new ATOM 0 HD3 LYS A 91 1.300 17.768 10.019 1.00 45.46 H new ATOM 0 HE2 LYS A 91 2.038 16.137 8.741 1.00 46.07 H new ATOM 0 HE3 LYS A 91 2.496 15.274 9.958 1.00 46.07 H new ATOM 0 HZ1 LYS A 91 0.744 14.270 8.904 1.00 46.17 H new ATOM 0 HZ2 LYS A 91 0.317 14.624 10.247 1.00 46.17 H new ATOM 0 HZ3 LYS A 91 -0.109 15.427 9.114 1.00 46.17 H new ATOM 686 N TYR A 92 6.295 15.612 11.331 1.00 42.18 N ATOM 687 CA TYR A 92 7.216 14.632 10.729 1.00 41.79 C ATOM 688 C TYR A 92 6.804 14.325 9.286 1.00 41.55 C ATOM 689 O TYR A 92 5.598 14.177 9.009 1.00 41.91 O ATOM 690 CB TYR A 92 7.349 13.329 11.535 1.00 41.96 C ATOM 691 CG TYR A 92 8.449 12.429 11.018 1.00 42.21 C ATOM 692 CD1 TYR A 92 9.769 12.521 11.456 1.00 42.35 C ATOM 693 CD2 TYR A 92 8.160 11.469 10.046 1.00 42.58 C ATOM 694 CE1 TYR A 92 10.784 11.696 10.978 1.00 42.38 C ATOM 695 CE2 TYR A 92 9.158 10.636 9.542 1.00 42.70 C ATOM 696 CZ TYR A 92 10.463 10.752 10.008 1.00 42.69 C ATOM 697 OH TYR A 92 11.384 9.900 9.465 1.00 43.00 O ATOM 0 H TYR A 92 5.871 15.320 12.020 1.00 42.18 H new ATOM 0 HA TYR A 92 8.093 15.047 10.739 1.00 41.79 H new ATOM 0 HB2 TYR A 92 7.524 13.545 12.464 1.00 41.96 H new ATOM 0 HB3 TYR A 92 6.506 12.850 11.509 1.00 41.96 H new ATOM 0 HD1 TYR A 92 9.981 13.162 12.096 1.00 42.35 H new ATOM 0 HD2 TYR A 92 7.289 11.384 9.730 1.00 42.58 H new ATOM 0 HE1 TYR A 92 11.653 11.774 11.299 1.00 42.38 H new ATOM 0 HE2 TYR A 92 8.951 10.002 8.894 1.00 42.70 H new ATOM 0 HH TYR A 92 12.078 9.898 9.939 1.00 43.00 H new ATOM 698 N PRO A 93 7.765 14.226 8.378 1.00 41.00 N ATOM 699 CA PRO A 93 9.202 14.346 8.575 1.00 40.19 C ATOM 700 C PRO A 93 9.823 15.721 8.474 1.00 39.43 C ATOM 701 O PRO A 93 11.082 15.796 8.533 1.00 39.84 O ATOM 702 CB PRO A 93 9.732 13.467 7.412 1.00 40.27 C ATOM 703 CG PRO A 93 8.819 13.943 6.295 1.00 40.37 C ATOM 704 CD PRO A 93 7.444 13.937 6.964 1.00 40.62 C ATOM 0 HA PRO A 93 9.427 14.097 9.485 1.00 40.19 H new ATOM 0 HB2 PRO A 93 10.669 13.629 7.221 1.00 40.27 H new ATOM 0 HB3 PRO A 93 9.638 12.518 7.590 1.00 40.27 H new ATOM 0 HG2 PRO A 93 9.064 14.828 5.981 1.00 40.37 H new ATOM 0 HG3 PRO A 93 8.849 13.351 5.527 1.00 40.37 H new ATOM 0 HD2 PRO A 93 6.856 14.609 6.584 1.00 40.62 H new ATOM 0 HD3 PRO A 93 6.999 13.081 6.864 1.00 40.62 H new ATOM 705 N ASN A 94 8.984 16.724 8.315 1.00 38.10 N ATOM 706 CA ASN A 94 9.478 18.114 8.199 1.00 36.98 C ATOM 707 C ASN A 94 9.517 18.727 9.614 1.00 35.17 C ATOM 708 O ASN A 94 8.594 19.492 9.964 1.00 35.08 O ATOM 709 CB ASN A 94 8.629 18.922 7.240 1.00 38.05 C ATOM 710 CG ASN A 94 8.666 18.633 5.758 1.00 38.72 C ATOM 711 OD1 ASN A 94 7.849 17.867 5.221 1.00 39.11 O ATOM 712 ND2 ASN A 94 9.593 19.273 5.045 1.00 39.01 N ATOM 0 H ASN A 94 8.129 16.640 8.270 1.00 38.10 H new ATOM 0 HA ASN A 94 10.373 18.123 7.826 1.00 36.98 H new ATOM 0 HB2 ASN A 94 7.707 18.831 7.527 1.00 38.05 H new ATOM 0 HB3 ASN A 94 8.872 19.854 7.357 1.00 38.05 H new ATOM 0 HD21 ASN A 94 9.635 19.160 4.194 1.00 39.01 H new ATOM 0 HD22 ASN A 94 10.149 19.799 5.437 1.00 39.01 H new ATOM 713 N CYS A 95 10.548 18.358 10.351 1.00 32.62 N ATOM 714 CA CYS A 95 10.713 18.845 11.742 1.00 30.42 C ATOM 715 C CYS A 95 11.286 20.254 11.738 1.00 29.12 C ATOM 716 O CYS A 95 12.352 20.480 11.138 1.00 30.06 O ATOM 717 CB CYS A 95 11.617 17.894 12.510 1.00 29.70 C ATOM 718 SG CYS A 95 11.051 16.165 12.541 1.00 29.01 S ATOM 0 H CYS A 95 11.170 17.829 10.081 1.00 32.62 H new ATOM 0 HA CYS A 95 9.848 18.873 12.180 1.00 30.42 H new ATOM 0 HB2 CYS A 95 12.504 17.924 12.119 1.00 29.70 H new ATOM 0 HB3 CYS A 95 11.698 18.211 13.423 1.00 29.70 H new ATOM 719 N ALA A 96 10.626 21.184 12.393 1.00 26.80 N ATOM 720 CA ALA A 96 11.063 22.592 12.474 1.00 24.25 C ATOM 721 C ALA A 96 11.259 22.988 13.940 1.00 22.19 C ATOM 722 O ALA A 96 10.409 22.631 14.776 1.00 22.12 O ATOM 723 CB ALA A 96 10.040 23.464 11.763 1.00 24.20 C ATOM 0 H ALA A 96 9.894 21.027 12.817 1.00 26.80 H new ATOM 0 HA ALA A 96 11.917 22.716 12.032 1.00 24.25 H new ATOM 0 HB1 ALA A 96 10.317 24.392 11.810 1.00 24.20 H new ATOM 0 HB2 ALA A 96 9.974 23.193 10.834 1.00 24.20 H new ATOM 0 HB3 ALA A 96 9.175 23.363 12.191 1.00 24.20 H new ATOM 724 N TYR A 97 12.327 23.692 14.242 1.00 19.09 N ATOM 725 CA TYR A 97 12.597 24.058 15.631 1.00 17.61 C ATOM 726 C TYR A 97 12.900 25.525 15.845 1.00 17.20 C ATOM 727 O TYR A 97 13.417 26.165 14.930 1.00 17.56 O ATOM 728 CB TYR A 97 13.887 23.283 16.095 1.00 17.01 C ATOM 729 CG TYR A 97 13.583 21.811 16.268 1.00 15.86 C ATOM 730 CD1 TYR A 97 13.666 20.956 15.174 1.00 16.16 C ATOM 731 CD2 TYR A 97 13.169 21.322 17.509 1.00 15.66 C ATOM 732 CE1 TYR A 97 13.340 19.600 15.296 1.00 16.48 C ATOM 733 CE2 TYR A 97 12.863 19.967 17.650 1.00 15.79 C ATOM 734 CZ TYR A 97 12.938 19.120 16.549 1.00 16.20 C ATOM 735 OH TYR A 97 12.629 17.789 16.700 1.00 17.06 O ATOM 0 H TYR A 97 12.908 23.970 13.672 1.00 19.09 H new ATOM 0 HA TYR A 97 11.792 23.839 16.127 1.00 17.61 H new ATOM 0 HB2 TYR A 97 14.594 23.399 15.441 1.00 17.01 H new ATOM 0 HB3 TYR A 97 14.211 23.653 16.931 1.00 17.01 H new ATOM 0 HD1 TYR A 97 13.942 21.289 14.351 1.00 16.16 H new ATOM 0 HD2 TYR A 97 13.098 21.896 18.237 1.00 15.66 H new ATOM 0 HE1 TYR A 97 13.389 19.031 14.562 1.00 16.48 H new ATOM 0 HE2 TYR A 97 12.609 19.631 18.479 1.00 15.79 H new ATOM 0 HH TYR A 97 12.770 17.557 17.495 1.00 17.06 H new ATOM 736 N LYS A 98 12.599 25.954 17.044 1.00 16.84 N ATOM 737 CA LYS A 98 12.885 27.333 17.503 1.00 16.64 C ATOM 738 C LYS A 98 14.159 27.192 18.365 1.00 16.13 C ATOM 739 O LYS A 98 14.252 26.248 19.191 1.00 16.07 O ATOM 740 CB LYS A 98 11.765 27.947 18.318 1.00 16.84 C ATOM 741 CG LYS A 98 12.086 29.226 19.052 1.00 17.58 C ATOM 742 CD LYS A 98 10.864 29.663 19.840 1.00 19.24 C ATOM 743 CE LYS A 98 11.148 30.649 20.940 1.00 20.08 C ATOM 744 NZ LYS A 98 11.766 31.892 20.422 1.00 21.16 N ATOM 0 H LYS A 98 12.217 25.463 17.638 1.00 16.84 H new ATOM 0 HA LYS A 98 12.989 27.928 16.744 1.00 16.64 H new ATOM 0 HB2 LYS A 98 11.017 28.118 17.725 1.00 16.84 H new ATOM 0 HB3 LYS A 98 11.468 27.291 18.968 1.00 16.84 H new ATOM 0 HG2 LYS A 98 12.839 29.090 19.649 1.00 17.58 H new ATOM 0 HG3 LYS A 98 12.344 29.918 18.423 1.00 17.58 H new ATOM 0 HD2 LYS A 98 10.222 30.055 19.228 1.00 19.24 H new ATOM 0 HD3 LYS A 98 10.445 28.878 20.226 1.00 19.24 H new ATOM 0 HE2 LYS A 98 10.322 30.866 21.400 1.00 20.08 H new ATOM 0 HE3 LYS A 98 11.739 30.243 21.594 1.00 20.08 H new ATOM 0 HZ1 LYS A 98 11.893 32.462 21.093 1.00 21.16 H new ATOM 0 HZ2 LYS A 98 12.548 31.700 20.044 1.00 21.16 H new ATOM 0 HZ3 LYS A 98 11.228 32.262 19.817 1.00 21.16 H new ATOM 745 N THR A 99 15.095 28.092 18.151 1.00 14.65 N ATOM 746 CA THR A 99 16.355 28.077 18.855 1.00 14.40 C ATOM 747 C THR A 99 16.408 29.146 19.939 1.00 14.58 C ATOM 748 O THR A 99 16.135 30.306 19.542 1.00 14.46 O ATOM 749 CB THR A 99 17.587 28.356 17.863 1.00 13.68 C ATOM 750 OG1 THR A 99 17.510 27.362 16.834 1.00 13.44 O ATOM 751 CG2 THR A 99 18.939 28.406 18.563 1.00 13.97 C ATOM 0 H THR A 99 15.016 28.736 17.587 1.00 14.65 H new ATOM 0 HA THR A 99 16.426 27.193 19.248 1.00 14.40 H new ATOM 0 HB THR A 99 17.516 29.245 17.481 1.00 13.68 H new ATOM 0 HG1 THR A 99 17.693 26.609 17.157 1.00 13.44 H new ATOM 0 HG21 THR A 99 19.636 28.577 17.910 1.00 13.97 H new ATOM 0 HG22 THR A 99 18.935 29.116 19.224 1.00 13.97 H new ATOM 0 HG23 THR A 99 19.108 27.557 19.001 1.00 13.97 H new ATOM 752 N THR A 100 16.789 28.753 21.138 1.00 13.91 N ATOM 753 CA THR A 100 16.947 29.767 22.186 1.00 14.80 C ATOM 754 C THR A 100 18.284 29.553 22.921 1.00 15.67 C ATOM 755 O THR A 100 18.443 28.500 23.608 1.00 15.38 O ATOM 756 CB THR A 100 15.758 29.823 23.229 1.00 14.77 C ATOM 757 OG1 THR A 100 14.540 29.887 22.422 1.00 15.69 O ATOM 758 CG2 THR A 100 15.934 31.019 24.168 1.00 14.97 C ATOM 0 H THR A 100 16.957 27.942 21.370 1.00 13.91 H new ATOM 0 HA THR A 100 16.937 30.624 21.731 1.00 14.80 H new ATOM 0 HB THR A 100 15.725 29.050 23.814 1.00 14.77 H new ATOM 0 HG1 THR A 100 14.249 29.110 22.292 1.00 15.69 H new ATOM 0 HG21 THR A 100 15.200 31.043 24.802 1.00 14.97 H new ATOM 0 HG22 THR A 100 16.773 30.933 24.648 1.00 14.97 H new ATOM 0 HG23 THR A 100 15.940 31.839 23.650 1.00 14.97 H new ATOM 759 N GLN A 101 19.170 30.522 22.781 1.00 15.93 N ATOM 760 CA GLN A 101 20.517 30.507 23.436 1.00 16.89 C ATOM 761 C GLN A 101 20.397 31.183 24.803 1.00 17.95 C ATOM 762 O GLN A 101 19.561 32.129 24.927 1.00 17.81 O ATOM 763 CB GLN A 101 21.513 31.237 22.540 1.00 16.98 C ATOM 764 CG GLN A 101 22.892 31.413 23.089 1.00 18.28 C ATOM 765 CD GLN A 101 23.647 30.124 23.361 1.00 18.46 C ATOM 766 OE1 GLN A 101 23.535 29.188 22.579 1.00 18.79 O ATOM 767 NE2 GLN A 101 24.421 30.032 24.454 1.00 18.71 N ATOM 0 H GLN A 101 19.027 31.223 22.304 1.00 15.93 H new ATOM 0 HA GLN A 101 20.834 29.599 23.564 1.00 16.89 H new ATOM 0 HB2 GLN A 101 21.579 30.754 21.701 1.00 16.98 H new ATOM 0 HB3 GLN A 101 21.153 32.114 22.335 1.00 16.98 H new ATOM 0 HG2 GLN A 101 23.407 31.948 22.465 1.00 18.28 H new ATOM 0 HG3 GLN A 101 22.834 31.918 23.915 1.00 18.28 H new ATOM 0 HE21 GLN A 101 24.487 30.700 24.992 1.00 18.71 H new ATOM 0 HE22 GLN A 101 24.851 29.305 24.617 1.00 18.71 H new ATOM 768 N ALA A 102 21.133 30.743 25.795 1.00 17.44 N ATOM 769 CA ALA A 102 21.089 31.289 27.150 1.00 18.14 C ATOM 770 C ALA A 102 22.261 30.729 27.947 1.00 19.43 C ATOM 771 O ALA A 102 22.899 29.770 27.501 1.00 19.12 O ATOM 772 CB ALA A 102 19.790 30.911 27.852 1.00 18.04 C ATOM 0 H ALA A 102 21.694 30.097 25.707 1.00 17.44 H new ATOM 0 HA ALA A 102 21.141 32.256 27.095 1.00 18.14 H new ATOM 0 HB1 ALA A 102 19.785 31.284 28.747 1.00 18.04 H new ATOM 0 HB2 ALA A 102 19.037 31.263 27.351 1.00 18.04 H new ATOM 0 HB3 ALA A 102 19.720 29.945 27.905 1.00 18.04 H new ATOM 773 N ASN A 103 22.532 31.298 29.099 1.00 20.48 N ATOM 774 CA ASN A 103 23.595 30.861 30.014 1.00 22.42 C ATOM 775 C ASN A 103 22.863 30.463 31.306 1.00 22.52 C ATOM 776 O ASN A 103 22.433 31.457 31.954 1.00 23.55 O ATOM 777 CB ASN A 103 24.581 31.937 30.433 1.00 24.73 C ATOM 778 CG ASN A 103 25.633 32.143 29.389 1.00 26.91 C ATOM 779 OD1 ASN A 103 26.575 31.375 29.157 1.00 28.25 O ATOM 780 ND2 ASN A 103 25.436 33.292 28.741 1.00 29.30 N ATOM 0 H ASN A 103 22.093 31.976 29.393 1.00 20.48 H new ATOM 0 HA ASN A 103 24.103 30.171 29.559 1.00 22.42 H new ATOM 0 HB2 ASN A 103 24.108 32.770 30.588 1.00 24.73 H new ATOM 0 HB3 ASN A 103 24.999 31.687 31.272 1.00 24.73 H new ATOM 0 HD21 ASN A 103 25.981 33.535 28.122 1.00 29.30 H new ATOM 0 HD22 ASN A 103 24.764 33.789 28.942 1.00 29.30 H new ATOM 781 N LYS A 104 22.757 29.205 31.605 1.00 21.11 N ATOM 782 CA LYS A 104 22.038 28.818 32.814 1.00 20.80 C ATOM 783 C LYS A 104 22.770 27.700 33.546 1.00 19.65 C ATOM 784 O LYS A 104 23.719 27.123 33.032 1.00 19.51 O ATOM 785 CB LYS A 104 20.653 28.254 32.448 1.00 21.83 C ATOM 786 CG LYS A 104 19.744 29.214 31.667 1.00 23.81 C ATOM 787 CD LYS A 104 18.524 28.529 31.093 1.00 25.50 C ATOM 788 CE LYS A 104 17.318 28.314 32.019 1.00 26.31 C ATOM 789 NZ LYS A 104 16.651 27.076 31.488 1.00 27.44 N ATOM 0 H LYS A 104 23.081 28.557 31.142 1.00 21.11 H new ATOM 0 HA LYS A 104 21.968 29.610 33.370 1.00 20.80 H new ATOM 0 HB2 LYS A 104 20.776 27.448 31.923 1.00 21.83 H new ATOM 0 HB3 LYS A 104 20.199 27.994 33.265 1.00 21.83 H new ATOM 0 HG2 LYS A 104 19.460 29.933 32.253 1.00 23.81 H new ATOM 0 HG3 LYS A 104 20.251 29.619 30.946 1.00 23.81 H new ATOM 0 HD2 LYS A 104 18.224 29.046 30.329 1.00 25.50 H new ATOM 0 HD3 LYS A 104 18.800 27.662 30.758 1.00 25.50 H new ATOM 0 HE2 LYS A 104 17.597 28.197 32.941 1.00 26.31 H new ATOM 0 HE3 LYS A 104 16.717 29.075 31.999 1.00 26.31 H new ATOM 0 HZ1 LYS A 104 15.952 26.872 32.000 1.00 27.44 H new ATOM 0 HZ2 LYS A 104 16.376 27.221 30.654 1.00 27.44 H new ATOM 0 HZ3 LYS A 104 17.230 26.400 31.495 1.00 27.44 H new ATOM 790 N HIS A 105 22.285 27.392 34.731 1.00 18.52 N ATOM 791 CA HIS A 105 22.863 26.279 35.506 1.00 18.77 C ATOM 792 C HIS A 105 22.184 25.026 34.888 1.00 18.55 C ATOM 793 O HIS A 105 20.983 25.136 34.490 1.00 19.36 O ATOM 794 CB HIS A 105 22.544 26.343 37.009 1.00 18.65 C ATOM 795 CG HIS A 105 22.903 27.642 37.662 1.00 19.05 C ATOM 796 ND1 HIS A 105 24.093 27.897 38.282 1.00 19.64 N ATOM 797 CD2 HIS A 105 22.188 28.788 37.829 1.00 19.60 C ATOM 798 CE1 HIS A 105 24.145 29.111 38.772 1.00 19.13 C ATOM 799 NE2 HIS A 105 23.007 29.678 38.537 1.00 19.84 N ATOM 0 H HIS A 105 21.631 27.800 35.112 1.00 18.52 H new ATOM 0 HA HIS A 105 23.832 26.288 35.456 1.00 18.77 H new ATOM 0 HB2 HIS A 105 21.596 26.181 37.135 1.00 18.65 H new ATOM 0 HB3 HIS A 105 23.016 25.625 37.460 1.00 18.65 H new ATOM 0 HD2 HIS A 105 21.322 28.949 37.531 1.00 19.60 H new ATOM 0 HE1 HIS A 105 24.870 29.496 39.210 1.00 19.13 H new ATOM 0 HE2 HIS A 105 22.788 30.474 38.777 1.00 19.84 H new ATOM 800 N ILE A 106 22.897 23.936 34.825 1.00 17.39 N ATOM 801 CA ILE A 106 22.285 22.699 34.297 1.00 16.67 C ATOM 802 C ILE A 106 22.095 21.702 35.445 1.00 16.48 C ATOM 803 O ILE A 106 22.795 21.746 36.472 1.00 15.88 O ATOM 804 CB ILE A 106 23.106 22.085 33.105 1.00 15.66 C ATOM 805 CG1 ILE A 106 24.439 21.515 33.653 1.00 15.59 C ATOM 806 CG2 ILE A 106 23.260 23.156 32.016 1.00 15.67 C ATOM 807 CD1 ILE A 106 25.176 20.531 32.706 1.00 15.34 C ATOM 0 H ILE A 106 23.718 23.867 35.070 1.00 17.39 H new ATOM 0 HA ILE A 106 21.416 22.917 33.925 1.00 16.67 H new ATOM 0 HB ILE A 106 22.651 21.337 32.687 1.00 15.66 H new ATOM 0 HG12 ILE A 106 25.033 22.255 33.852 1.00 15.59 H new ATOM 0 HG13 ILE A 106 24.260 21.061 34.491 1.00 15.59 H new ATOM 0 HG21 ILE A 106 23.765 22.792 31.273 1.00 15.67 H new ATOM 0 HG22 ILE A 106 22.383 23.431 31.706 1.00 15.67 H new ATOM 0 HG23 ILE A 106 23.729 23.923 32.380 1.00 15.67 H new ATOM 0 HD11 ILE A 106 25.995 20.227 33.128 1.00 15.34 H new ATOM 0 HD12 ILE A 106 24.605 19.769 32.523 1.00 15.34 H new ATOM 0 HD13 ILE A 106 25.390 20.981 31.874 1.00 15.34 H new ATOM 808 N ILE A 107 21.114 20.818 35.229 1.00 16.26 N ATOM 809 CA ILE A 107 20.839 19.768 36.219 1.00 17.04 C ATOM 810 C ILE A 107 20.894 18.419 35.460 1.00 16.73 C ATOM 811 O ILE A 107 20.113 18.296 34.493 1.00 16.17 O ATOM 812 CB ILE A 107 19.532 19.943 37.058 1.00 17.29 C ATOM 813 CG1 ILE A 107 19.527 21.255 37.880 1.00 17.81 C ATOM 814 CG2 ILE A 107 19.292 18.688 37.952 1.00 17.13 C ATOM 815 CD1 ILE A 107 18.999 22.446 37.064 1.00 18.35 C ATOM 0 H ILE A 107 20.608 20.807 34.534 1.00 16.26 H new ATOM 0 HA ILE A 107 21.516 19.817 36.911 1.00 17.04 H new ATOM 0 HB ILE A 107 18.790 20.019 36.438 1.00 17.29 H new ATOM 0 HG12 ILE A 107 18.978 21.138 38.671 1.00 17.81 H new ATOM 0 HG13 ILE A 107 20.427 21.447 38.185 1.00 17.81 H new ATOM 0 HG21 ILE A 107 18.479 18.808 38.467 1.00 17.13 H new ATOM 0 HG22 ILE A 107 19.205 17.902 37.390 1.00 17.13 H new ATOM 0 HG23 ILE A 107 20.043 18.572 38.555 1.00 17.13 H new ATOM 0 HD11 ILE A 107 19.012 23.246 37.613 1.00 18.35 H new ATOM 0 HD12 ILE A 107 19.562 22.580 36.285 1.00 18.35 H new ATOM 0 HD13 ILE A 107 18.090 22.265 36.778 1.00 18.35 H new ATOM 816 N VAL A 108 21.772 17.528 35.911 1.00 16.41 N ATOM 817 CA VAL A 108 21.888 16.232 35.222 1.00 15.71 C ATOM 818 C VAL A 108 21.769 15.093 36.204 1.00 15.87 C ATOM 819 O VAL A 108 22.059 15.312 37.389 1.00 16.86 O ATOM 820 CB VAL A 108 23.222 16.171 34.435 1.00 15.64 C ATOM 821 CG1 VAL A 108 23.355 17.112 33.242 1.00 15.96 C ATOM 822 CG2 VAL A 108 24.413 16.367 35.380 1.00 15.89 C ATOM 0 H VAL A 108 22.293 17.640 36.586 1.00 16.41 H new ATOM 0 HA VAL A 108 21.159 16.143 34.588 1.00 15.71 H new ATOM 0 HB VAL A 108 23.218 15.282 34.047 1.00 15.64 H new ATOM 0 HG11 VAL A 108 24.223 16.989 32.828 1.00 15.96 H new ATOM 0 HG12 VAL A 108 22.658 16.916 32.596 1.00 15.96 H new ATOM 0 HG13 VAL A 108 23.268 18.030 33.543 1.00 15.96 H new ATOM 0 HG21 VAL A 108 25.239 16.326 34.873 1.00 15.89 H new ATOM 0 HG22 VAL A 108 24.343 17.232 35.814 1.00 15.89 H new ATOM 0 HG23 VAL A 108 24.412 15.667 36.052 1.00 15.89 H new ATOM 823 N ALA A 109 21.384 13.922 35.721 1.00 15.87 N ATOM 824 CA ALA A 109 21.262 12.704 36.527 1.00 15.96 C ATOM 825 C ALA A 109 22.551 11.927 36.238 1.00 16.24 C ATOM 826 O ALA A 109 22.933 11.848 35.054 1.00 15.67 O ATOM 827 CB ALA A 109 20.072 11.812 36.188 1.00 15.87 C ATOM 0 H ALA A 109 21.180 13.804 34.894 1.00 15.87 H new ATOM 0 HA ALA A 109 21.123 12.955 37.453 1.00 15.96 H new ATOM 0 HB1 ALA A 109 20.074 11.035 36.769 1.00 15.87 H new ATOM 0 HB2 ALA A 109 19.249 12.309 36.315 1.00 15.87 H new ATOM 0 HB3 ALA A 109 20.136 11.524 35.264 1.00 15.87 H new ATOM 828 N CYS A 110 23.161 11.433 37.288 1.00 16.90 N ATOM 829 CA CYS A 110 24.420 10.708 37.117 1.00 18.74 C ATOM 830 C CYS A 110 24.300 9.255 37.573 1.00 20.34 C ATOM 831 O CYS A 110 23.596 8.935 38.523 1.00 20.40 O ATOM 832 CB CYS A 110 25.605 11.397 37.809 1.00 18.47 C ATOM 833 SG CYS A 110 25.794 13.159 37.377 1.00 18.30 S ATOM 0 H CYS A 110 22.880 11.498 38.098 1.00 16.90 H new ATOM 0 HA CYS A 110 24.604 10.716 36.165 1.00 18.74 H new ATOM 0 HB2 CYS A 110 25.497 11.319 38.770 1.00 18.47 H new ATOM 0 HB3 CYS A 110 26.421 10.927 37.577 1.00 18.47 H new ATOM 834 N GLU A 111 25.095 8.453 36.895 1.00 22.28 N ATOM 835 CA GLU A 111 25.153 7.016 37.151 1.00 24.72 C ATOM 836 C GLU A 111 26.439 6.388 36.618 1.00 25.65 C ATOM 837 O GLU A 111 27.226 6.901 35.802 1.00 25.07 O ATOM 838 CB GLU A 111 23.956 6.433 36.401 1.00 25.72 C ATOM 839 CG GLU A 111 23.203 5.199 36.863 1.00 28.00 C ATOM 840 CD GLU A 111 22.156 4.812 35.833 1.00 29.00 C ATOM 841 OE1 GLU A 111 21.052 5.311 35.722 1.00 29.39 O ATOM 842 OE2 GLU A 111 22.618 3.933 35.069 1.00 30.31 O ATOM 0 H GLU A 111 25.621 8.720 36.269 1.00 22.28 H new ATOM 0 HA GLU A 111 25.135 6.837 38.104 1.00 24.72 H new ATOM 0 HB2 GLU A 111 23.301 7.145 36.335 1.00 25.72 H new ATOM 0 HB3 GLU A 111 24.262 6.246 35.500 1.00 25.72 H new ATOM 0 HG2 GLU A 111 23.822 4.465 36.997 1.00 28.00 H new ATOM 0 HG3 GLU A 111 22.778 5.372 37.718 1.00 28.00 H new ATOM 843 N GLY A 112 26.651 5.186 37.152 1.00 26.99 N ATOM 844 CA GLY A 112 27.720 4.262 36.859 1.00 28.17 C ATOM 845 C GLY A 112 29.045 4.494 37.537 1.00 29.49 C ATOM 846 O GLY A 112 29.183 5.200 38.556 1.00 29.80 O ATOM 0 H GLY A 112 26.118 4.871 37.749 1.00 26.99 H new ATOM 0 HA2 GLY A 112 27.417 3.370 37.091 1.00 28.17 H new ATOM 0 HA3 GLY A 112 27.869 4.270 35.900 1.00 28.17 H new ATOM 847 N ASN A 113 30.041 3.896 36.888 1.00 30.37 N ATOM 848 CA ASN A 113 31.416 4.054 37.430 1.00 31.68 C ATOM 849 C ASN A 113 32.408 3.874 36.299 1.00 31.13 C ATOM 850 O ASN A 113 32.611 2.748 35.808 1.00 32.19 O ATOM 851 CB ASN A 113 31.461 3.047 38.580 1.00 33.79 C ATOM 852 CG ASN A 113 32.876 2.490 38.600 1.00 35.57 C ATOM 853 OD1 ASN A 113 33.700 3.182 39.220 1.00 37.28 O ATOM 854 ND2 ASN A 113 33.051 1.368 37.904 1.00 36.21 N ATOM 0 H ASN A 113 29.965 3.420 36.176 1.00 30.37 H new ATOM 0 HA ASN A 113 31.654 4.925 37.784 1.00 31.68 H new ATOM 0 HB2 ASN A 113 31.245 3.474 39.424 1.00 33.79 H new ATOM 0 HB3 ASN A 113 30.812 2.339 38.446 1.00 33.79 H new ATOM 0 HD21 ASN A 113 33.835 1.021 37.838 1.00 36.21 H new ATOM 0 HD22 ASN A 113 32.380 0.991 37.521 1.00 36.21 H new ATOM 855 N PRO A 114 33.024 4.940 35.816 1.00 30.05 N ATOM 856 CA PRO A 114 32.889 6.343 36.221 1.00 28.45 C ATOM 857 C PRO A 114 31.471 6.896 36.333 1.00 26.57 C ATOM 858 O PRO A 114 30.579 6.542 35.551 1.00 26.31 O ATOM 859 CB PRO A 114 33.631 7.066 35.080 1.00 29.46 C ATOM 860 CG PRO A 114 33.634 6.060 33.930 1.00 29.51 C ATOM 861 CD PRO A 114 33.963 4.766 34.675 1.00 29.45 C ATOM 0 HA PRO A 114 33.229 6.463 37.122 1.00 28.45 H new ATOM 0 HB2 PRO A 114 33.180 7.888 34.830 1.00 29.46 H new ATOM 0 HB3 PRO A 114 34.534 7.306 35.342 1.00 29.46 H new ATOM 0 HG2 PRO A 114 32.776 6.016 33.479 1.00 29.51 H new ATOM 0 HG3 PRO A 114 34.298 6.275 33.256 1.00 29.51 H new ATOM 0 HD2 PRO A 114 33.779 3.970 34.151 1.00 29.45 H new ATOM 0 HD3 PRO A 114 34.891 4.715 34.953 1.00 29.45 H new ATOM 862 N TYR A 115 31.246 7.759 37.303 1.00 24.42 N ATOM 863 CA TYR A 115 29.940 8.387 37.584 1.00 22.54 C ATOM 864 C TYR A 115 29.799 9.577 36.643 1.00 21.49 C ATOM 865 O TYR A 115 30.400 10.602 36.967 1.00 21.02 O ATOM 866 CB TYR A 115 29.923 8.880 39.025 1.00 21.71 C ATOM 867 CG TYR A 115 28.636 9.157 39.721 1.00 21.26 C ATOM 868 CD1 TYR A 115 27.627 8.170 39.797 1.00 21.29 C ATOM 869 CD2 TYR A 115 28.430 10.379 40.373 1.00 20.52 C ATOM 870 CE1 TYR A 115 26.440 8.444 40.489 1.00 21.39 C ATOM 871 CE2 TYR A 115 27.257 10.647 41.055 1.00 20.60 C ATOM 872 CZ TYR A 115 26.254 9.685 41.112 1.00 20.92 C ATOM 873 OH TYR A 115 25.096 9.979 41.780 1.00 21.05 O ATOM 0 H TYR A 115 31.864 8.014 37.844 1.00 24.42 H new ATOM 0 HA TYR A 115 29.215 7.756 37.456 1.00 22.54 H new ATOM 0 HB2 TYR A 115 30.399 8.223 39.557 1.00 21.71 H new ATOM 0 HB3 TYR A 115 30.444 9.698 39.053 1.00 21.71 H new ATOM 0 HD1 TYR A 115 27.750 7.343 39.390 1.00 21.29 H new ATOM 0 HD2 TYR A 115 29.098 11.026 40.347 1.00 20.52 H new ATOM 0 HE1 TYR A 115 25.772 7.799 40.535 1.00 21.39 H new ATOM 0 HE2 TYR A 115 27.139 11.469 41.475 1.00 20.60 H new ATOM 0 HH TYR A 115 24.569 9.327 41.727 1.00 21.05 H new ATOM 874 N VAL A 116 29.054 9.382 35.585 1.00 20.68 N ATOM 875 CA VAL A 116 28.846 10.405 34.555 1.00 19.93 C ATOM 876 C VAL A 116 27.367 10.684 34.285 1.00 19.12 C ATOM 877 O VAL A 116 26.509 9.908 34.702 1.00 18.06 O ATOM 878 CB VAL A 116 29.551 9.930 33.259 1.00 20.04 C ATOM 879 CG1 VAL A 116 31.043 9.688 33.504 1.00 21.37 C ATOM 880 CG2 VAL A 116 28.912 8.666 32.709 1.00 20.19 C ATOM 0 H VAL A 116 28.641 8.644 35.429 1.00 20.68 H new ATOM 0 HA VAL A 116 29.223 11.241 34.871 1.00 19.93 H new ATOM 0 HB VAL A 116 29.449 10.637 32.603 1.00 20.04 H new ATOM 0 HG11 VAL A 116 31.462 9.392 32.681 1.00 21.37 H new ATOM 0 HG12 VAL A 116 31.460 10.512 33.801 1.00 21.37 H new ATOM 0 HG13 VAL A 116 31.153 9.007 34.185 1.00 21.37 H new ATOM 0 HG21 VAL A 116 29.374 8.395 31.900 1.00 20.19 H new ATOM 0 HG22 VAL A 116 28.974 7.958 33.369 1.00 20.19 H new ATOM 0 HG23 VAL A 116 27.979 8.837 32.506 1.00 20.19 H new ATOM 881 N PRO A 117 27.144 11.800 33.584 1.00 18.87 N ATOM 882 CA PRO A 117 25.782 12.229 33.242 1.00 18.08 C ATOM 883 C PRO A 117 25.134 11.247 32.275 1.00 17.20 C ATOM 884 O PRO A 117 25.797 10.842 31.299 1.00 16.38 O ATOM 885 CB PRO A 117 25.935 13.605 32.602 1.00 18.36 C ATOM 886 CG PRO A 117 27.337 14.047 32.936 1.00 18.69 C ATOM 887 CD PRO A 117 28.138 12.766 33.105 1.00 18.70 C ATOM 0 HA PRO A 117 25.209 12.262 34.024 1.00 18.08 H new ATOM 0 HB2 PRO A 117 25.801 13.561 31.642 1.00 18.36 H new ATOM 0 HB3 PRO A 117 25.279 14.228 32.952 1.00 18.36 H new ATOM 0 HG2 PRO A 117 27.707 14.599 32.229 1.00 18.69 H new ATOM 0 HG3 PRO A 117 27.352 14.578 33.748 1.00 18.69 H new ATOM 0 HD2 PRO A 117 28.538 12.482 32.268 1.00 18.70 H new ATOM 0 HD3 PRO A 117 28.862 12.879 33.741 1.00 18.70 H new ATOM 888 N VAL A 118 23.875 10.916 32.560 1.00 16.13 N ATOM 889 CA VAL A 118 23.125 9.987 31.696 1.00 15.59 C ATOM 890 C VAL A 118 21.800 10.617 31.218 1.00 15.59 C ATOM 891 O VAL A 118 21.227 10.111 30.240 1.00 15.39 O ATOM 892 CB VAL A 118 22.928 8.599 32.314 1.00 15.53 C ATOM 893 CG1 VAL A 118 24.222 7.793 32.451 1.00 15.63 C ATOM 894 CG2 VAL A 118 22.124 8.632 33.601 1.00 15.23 C ATOM 0 H VAL A 118 23.437 11.211 33.239 1.00 16.13 H new ATOM 0 HA VAL A 118 23.676 9.834 30.913 1.00 15.59 H new ATOM 0 HB VAL A 118 22.391 8.114 31.668 1.00 15.53 H new ATOM 0 HG11 VAL A 118 24.025 6.930 32.847 1.00 15.63 H new ATOM 0 HG12 VAL A 118 24.617 7.664 31.575 1.00 15.63 H new ATOM 0 HG13 VAL A 118 24.845 8.274 33.018 1.00 15.63 H new ATOM 0 HG21 VAL A 118 22.030 7.731 33.947 1.00 15.23 H new ATOM 0 HG22 VAL A 118 22.582 9.183 34.255 1.00 15.23 H new ATOM 0 HG23 VAL A 118 21.245 9.003 33.424 1.00 15.23 H new ATOM 895 N HIS A 119 21.403 11.691 31.888 1.00 15.43 N ATOM 896 CA HIS A 119 20.141 12.350 31.508 1.00 15.67 C ATOM 897 C HIS A 119 20.205 13.849 31.794 1.00 15.71 C ATOM 898 O HIS A 119 20.716 14.204 32.873 1.00 15.59 O ATOM 899 CB HIS A 119 18.942 11.787 32.332 1.00 16.18 C ATOM 900 CG HIS A 119 17.578 12.342 31.979 1.00 16.50 C ATOM 901 ND1 HIS A 119 17.057 12.454 30.711 1.00 17.11 N ATOM 902 CD2 HIS A 119 16.614 12.801 32.789 1.00 16.19 C ATOM 903 CE1 HIS A 119 15.830 12.944 30.729 1.00 16.13 C ATOM 904 NE2 HIS A 119 15.559 13.153 31.995 1.00 17.29 N ATOM 0 H HIS A 119 21.827 12.050 32.544 1.00 15.43 H new ATOM 0 HA HIS A 119 20.015 12.181 30.561 1.00 15.67 H new ATOM 0 HB2 HIS A 119 18.919 10.824 32.220 1.00 16.18 H new ATOM 0 HB3 HIS A 119 19.109 11.959 33.272 1.00 16.18 H new ATOM 0 HD2 HIS A 119 16.655 12.867 33.716 1.00 16.19 H new ATOM 0 HE1 HIS A 119 15.277 13.106 29.999 1.00 16.13 H new ATOM 0 HE2 HIS A 119 14.815 13.470 32.287 1.00 17.29 H new ATOM 905 N PHE A 120 19.682 14.630 30.879 1.00 15.13 N ATOM 906 CA PHE A 120 19.623 16.085 31.076 1.00 16.28 C ATOM 907 C PHE A 120 18.266 16.317 31.765 1.00 17.10 C ATOM 908 O PHE A 120 17.234 16.124 31.099 1.00 16.30 O ATOM 909 CB PHE A 120 19.732 16.885 29.798 1.00 17.05 C ATOM 910 CG PHE A 120 19.939 18.358 29.968 1.00 17.29 C ATOM 911 CD1 PHE A 120 21.253 18.855 30.112 1.00 18.17 C ATOM 912 CD2 PHE A 120 18.844 19.220 30.022 1.00 17.76 C ATOM 913 CE1 PHE A 120 21.486 20.226 30.279 1.00 18.03 C ATOM 914 CE2 PHE A 120 19.049 20.614 30.193 1.00 17.93 C ATOM 915 CZ PHE A 120 20.374 21.090 30.291 1.00 18.01 C ATOM 0 H PHE A 120 19.353 14.353 30.134 1.00 15.13 H new ATOM 0 HA PHE A 120 20.380 16.390 31.600 1.00 16.28 H new ATOM 0 HB2 PHE A 120 20.468 16.530 29.276 1.00 17.05 H new ATOM 0 HB3 PHE A 120 18.924 16.747 29.280 1.00 17.05 H new ATOM 0 HD1 PHE A 120 21.972 18.265 30.096 1.00 18.17 H new ATOM 0 HD2 PHE A 120 17.981 18.882 29.946 1.00 17.76 H new ATOM 0 HE1 PHE A 120 22.350 20.556 30.379 1.00 18.03 H new ATOM 0 HE2 PHE A 120 18.328 21.199 30.239 1.00 17.93 H new ATOM 0 HZ PHE A 120 20.518 22.006 30.366 1.00 18.01 H new ATOM 916 N ASP A 121 18.317 16.709 33.018 1.00 18.49 N ATOM 917 CA ASP A 121 17.057 16.950 33.739 1.00 20.91 C ATOM 918 C ASP A 121 16.453 18.301 33.386 1.00 20.49 C ATOM 919 O ASP A 121 15.274 18.391 32.995 1.00 20.59 O ATOM 920 CB ASP A 121 17.255 16.808 35.244 1.00 24.18 C ATOM 921 CG ASP A 121 17.548 15.390 35.645 1.00 27.98 C ATOM 922 OD1 ASP A 121 18.479 14.782 35.044 1.00 30.07 O ATOM 923 OD2 ASP A 121 16.879 14.807 36.520 1.00 30.19 O ATOM 0 H ASP A 121 19.037 16.842 33.469 1.00 18.49 H new ATOM 0 HA ASP A 121 16.424 16.272 33.454 1.00 20.91 H new ATOM 0 HB2 ASP A 121 17.985 17.380 35.528 1.00 24.18 H new ATOM 0 HB3 ASP A 121 16.458 17.115 35.704 1.00 24.18 H new ATOM 924 N ALA A 122 17.191 19.376 33.534 1.00 19.66 N ATOM 925 CA ALA A 122 16.619 20.692 33.231 1.00 19.47 C ATOM 926 C ALA A 122 17.732 21.710 33.399 1.00 19.84 C ATOM 927 O ALA A 122 18.843 21.262 33.691 1.00 19.21 O ATOM 928 CB ALA A 122 15.585 20.950 34.325 1.00 19.78 C ATOM 0 H ALA A 122 18.008 19.381 33.802 1.00 19.66 H new ATOM 0 HA ALA A 122 16.235 20.742 32.342 1.00 19.47 H new ATOM 0 HB1 ALA A 122 15.168 21.813 34.179 1.00 19.78 H new ATOM 0 HB2 ALA A 122 14.908 20.256 34.301 1.00 19.78 H new ATOM 0 HB3 ALA A 122 16.022 20.945 35.191 1.00 19.78 H new ATOM 929 N SER A 123 17.365 22.963 33.248 1.00 20.25 N ATOM 930 CA SER A 123 18.354 24.043 33.453 1.00 20.20 C ATOM 931 C SER A 123 17.593 25.126 34.212 1.00 19.43 C ATOM 932 O SER A 123 16.348 25.132 34.209 1.00 18.09 O ATOM 933 CB SER A 123 18.970 24.446 32.133 1.00 21.35 C ATOM 934 OG SER A 123 18.068 25.054 31.252 1.00 23.07 O ATOM 0 H SER A 123 16.574 23.223 33.033 1.00 20.25 H new ATOM 0 HA SER A 123 19.130 23.792 33.978 1.00 20.20 H new ATOM 0 HB2 SER A 123 19.706 25.055 32.301 1.00 21.35 H new ATOM 0 HB3 SER A 123 19.345 23.659 31.707 1.00 21.35 H new ATOM 0 HG SER A 123 18.465 25.256 30.540 1.00 23.07 H new ATOM 935 N VAL A 124 18.328 25.993 34.867 1.00 19.47 N ATOM 936 CA VAL A 124 17.728 27.138 35.584 1.00 19.90 C ATOM 937 C VAL A 124 18.641 28.371 35.461 1.00 19.14 C ATOM 938 O VAL A 124 19.792 28.304 35.923 1.00 18.67 O ATOM 939 CB VAL A 124 17.283 26.802 37.003 1.00 20.72 C ATOM 940 CG1 VAL A 124 18.300 26.007 37.763 1.00 21.28 C ATOM 941 CG2 VAL A 124 16.732 28.068 37.706 1.00 21.67 C ATOM 942 OXT VAL A 124 18.182 29.357 34.856 1.00 18.92 O ATOM 0 H VAL A 124 19.185 25.952 34.920 1.00 19.47 H new ATOM 0 HA VAL A 124 16.891 27.367 35.151 1.00 19.90 H new ATOM 0 HB VAL A 124 16.535 26.186 36.966 1.00 20.72 H new ATOM 0 HG11 VAL A 124 17.966 25.822 38.655 1.00 21.28 H new ATOM 0 HG12 VAL A 124 18.468 25.171 37.301 1.00 21.28 H new ATOM 0 HG13 VAL A 124 19.125 26.513 37.826 1.00 21.28 H new ATOM 0 HG21 VAL A 124 16.452 27.842 38.607 1.00 21.67 H new ATOM 0 HG22 VAL A 124 17.425 28.745 37.743 1.00 21.67 H new ATOM 0 HG23 VAL A 124 15.973 28.410 37.208 1.00 21.67 H new TER 943 VAL A 124 HETATM 944 C1 AEN A 125 14.459 9.594 31.919 1.00 33.26 C HETATM 945 C2 AEN A 125 13.442 10.163 31.148 1.00 33.34 C HETATM 946 C3 AEN A 125 13.631 10.406 29.781 1.00 32.97 C HETATM 947 C4 AEN A 125 14.859 10.094 29.191 1.00 33.05 C HETATM 948 C5 AEN A 125 17.105 9.243 29.336 1.00 29.14 C HETATM 949 C6 AEN A 125 18.125 8.675 30.080 1.00 29.50 C HETATM 950 C7 AEN A 125 17.956 8.390 31.435 1.00 30.58 C HETATM 951 C8 AEN A 125 16.749 8.692 32.051 1.00 31.35 C HETATM 952 C9 AEN A 125 15.697 9.260 31.318 1.00 32.12 C HETATM 953 C10 AEN A 125 15.884 9.523 29.960 1.00 31.09 C HETATM 954 C1' AEN A 125 18.595 13.990 26.488 1.00 17.40 C HETATM 955 C2' AEN A 125 19.048 12.754 27.232 1.00 19.77 C HETATM 956 O2' AEN A 125 19.373 13.029 28.383 1.00 20.10 O HETATM 957 N3' AEN A 125 19.179 11.522 26.716 1.00 20.61 N HETATM 958 C4' AEN A 125 19.639 10.418 27.550 1.00 22.18 C HETATM 959 C5' AEN A 125 18.588 9.310 27.362 1.00 24.80 C HETATM 960 N6' AEN A 125 17.274 9.535 27.975 1.00 26.65 N HETATM 961 S AEN A 125 14.094 9.275 33.645 1.00 35.39 S HETATM 962 O1S AEN A 125 15.167 9.428 34.679 1.00 35.44 O HETATM 963 O2S AEN A 125 13.591 7.847 33.711 1.00 35.35 O HETATM 964 O3S AEN A 125 12.891 10.113 33.985 1.00 35.73 O HETATM 0 HOS3 AEN A 125 12.444 9.731 34.585 1.00 35.73 H new HETATM 0 HN'6 AEN A 125 16.620 9.840 27.508 1.00 26.65 H new HETATM 0 HN'3 AEN A 125 18.991 11.383 25.889 1.00 20.61 H new HETATM 0 H5'2 AEN A 125 18.459 9.174 26.410 1.00 24.80 H new HETATM 0 H5'1 AEN A 125 18.951 8.485 27.719 1.00 24.80 H new HETATM 0 H4'2 AEN A 125 20.520 10.116 27.278 1.00 22.18 H new HETATM 0 H4'1 AEN A 125 19.705 10.685 28.480 1.00 22.18 H new HETATM 0 H1'3 AEN A 125 17.832 14.380 26.942 1.00 17.40 H new HETATM 0 H1'1 AEN A 125 18.344 13.749 25.583 1.00 17.40 H new HETATM 0 H8 AEN A 125 16.632 8.509 32.996 1.00 31.35 H new HETATM 0 H7 AEN A 125 18.676 7.984 31.943 1.00 30.58 H new HETATM 0 H6 AEN A 125 18.971 8.472 29.652 1.00 29.50 H new HETATM 0 H4 AEN A 125 15.003 10.273 28.248 1.00 33.05 H new HETATM 0 H3 AEN A 125 12.916 10.788 29.249 1.00 32.97 H new HETATM 0 H2 AEN A 125 12.596 10.392 31.564 1.00 33.34 H new HETATM 965 O HOH A 126 25.115 1.210 30.220 1.00 19.43 O HETATM 966 O HOH A 127 31.196 19.881 45.342 1.00 24.54 O HETATM 967 O HOH A 128 27.822 11.020 29.496 1.00 17.47 O HETATM 968 O HOH A 129 33.784 24.575 29.276 1.00 22.23 O HETATM 969 O HOH A 130 16.282 26.244 14.410 1.00 16.31 O HETATM 970 O HOH A 131 26.847 5.431 33.084 1.00 30.84 O HETATM 971 O HOH A 132 31.020 18.320 21.082 1.00 29.67 O HETATM 972 O HOH A 133 18.070 33.691 26.601 1.00 38.77 O HETATM 973 O HOH A 134 21.330 8.013 28.603 1.00 15.78 O HETATM 974 O HOH A 135 23.453 25.716 47.362 1.00 44.15 O HETATM 975 O HOH A 136 31.558 22.215 35.819 1.00 17.18 O HETATM 976 O HOH A 137 36.578 17.600 27.829 1.00 25.05 O HETATM 977 O HOH A 138 14.879 29.771 15.814 1.00 15.69 O HETATM 978 O HOH A 139 29.592 24.595 37.654 1.00 22.25 O HETATM 979 O HOH A 140 34.994 18.369 25.032 1.00 19.09 O HETATM 980 O HOH A 141 18.240 33.017 21.294 1.00 27.96 O HETATM 981 O HOH A 142 14.209 31.971 19.064 1.00 26.39 O HETATM 982 O HOH A 143 28.221 16.693 46.117 1.00 34.19 O HETATM 983 O HOH A 144 30.389 10.972 29.748 1.00 24.47 O HETATM 984 O HOH A 145 27.794 3.124 22.886 1.00 22.32 O HETATM 985 O HOH A 146 31.867 24.997 32.645 1.00 34.31 O HETATM 986 O HOH A 147 18.181 12.820 11.868 1.00 28.31 O HETATM 987 O HOH A 148 22.851 26.364 41.552 1.00 41.42 O HETATM 988 O HOH A 149 16.400 33.353 29.193 1.00 34.97 O HETATM 989 O HOH A 150 24.618 32.557 26.087 1.00 31.95 O HETATM 990 O HOH A 151 27.680 22.495 16.055 1.00 42.41 O HETATM 991 O HOH A 152 30.099 4.964 33.502 1.00 25.63 O HETATM 992 O HOH A 153 28.105 4.873 20.627 1.00 26.73 O HETATM 993 O HOH A 154 29.144 19.396 17.600 1.00 29.13 O HETATM 994 O HOH A 155 31.543 25.071 35.604 1.00 25.32 O HETATM 995 O HOH A 156 27.261 4.382 30.267 1.00 19.61 O HETATM 996 O HOH A 157 25.633 18.118 47.551 1.00 37.89 O HETATM 997 O HOH A 158 21.080 34.440 29.062 1.00 32.13 O HETATM 998 O HOH A 159 32.572 14.636 38.727 1.00 43.18 O HETATM 999 O HOH A 160 29.099 12.861 43.700 1.00 33.52 O HETATM 1000 O HOH A 161 15.967 10.963 36.693 1.00 35.09 O HETATM 1001 O HOH A 162 35.536 16.680 34.809 1.00 31.67 O HETATM 1002 O HOH A 163 20.168 5.474 28.535 1.00 40.06 O HETATM 1003 O HOH A 164 26.001 31.469 39.202 1.00 28.56 O HETATM 1004 O HOH A 165 28.149 9.022 21.492 1.00 24.67 O HETATM 1005 O HOH A 166 22.114 18.917 9.690 1.00 30.24 O HETATM 1006 O HOH A 167 25.005 4.659 39.965 1.00 35.11 O HETATM 1007 O HOH A 168 22.421 16.715 48.602 1.00 49.18 O HETATM 1008 O HOH A 169 23.696 8.126 42.808 1.00 35.48 O HETATM 1009 O HOH A 170 17.443 4.842 27.691 1.00 50.78 O HETATM 1010 O HOH A 171 21.238 7.161 16.823 1.00 42.94 O HETATM 1011 O HOH A 172 32.409 12.542 38.953 1.00 56.67 O HETATM 1012 O HOH A 173 14.904 13.336 27.113 1.00 25.92 O HETATM 1013 O HOH A 174 13.051 24.091 27.515 1.00 45.51 O HETATM 1014 O HOH A 175 31.383 6.002 31.730 1.00 51.28 O HETATM 1015 O HOH A 176 33.021 24.603 24.216 1.00 46.45 O HETATM 1016 O HOH A 177 31.515 28.930 32.581 1.00 38.57 O HETATM 1017 O HOH A 178 17.414 9.699 37.841 1.00 41.02 O HETATM 1018 O HOH A 179 32.560 30.874 31.451 1.00 39.09 O HETATM 1019 O HOH A 180 13.564 21.436 27.819 1.00 78.86 O HETATM 1020 O HOH A 181 36.546 20.793 24.494 1.00 46.64 O HETATM 1021 O HOH A 182 17.666 9.214 19.143 1.00 35.81 O HETATM 1022 O HOH A 183 36.058 14.385 28.910 1.00 38.60 O HETATM 1023 O HOH A 184 15.360 19.652 12.156 1.00 31.88 O HETATM 1024 O HOH A 185 23.432 8.179 15.603 1.00 39.67 O HETATM 1025 O HOH A 186 16.856 18.233 26.923 1.00 20.02 O HETATM 1026 O HOH A 187 30.470 4.961 27.247 1.00 28.24 O HETATM 1027 O HOH A 188 23.139 14.832 49.351 1.00 41.61 O HETATM 1028 O HOH A 189 25.454 -3.356 23.772 1.00 51.37 O HETATM 1029 O HOH A 190 19.494 7.702 36.858 1.00 50.63 O HETATM 1030 O HOH A 191 28.122 14.122 45.987 1.00 35.21 O HETATM 1031 O HOH A 192 30.423 29.596 29.893 1.00 40.78 O HETATM 1032 O HOH A 193 15.701 15.108 24.243 1.00 43.87 O HETATM 1033 O HOH A 194 30.758 27.373 33.673 1.00 29.69 O HETATM 1034 O HOH A 195 24.024 10.180 44.091 1.00 45.13 O HETATM 1035 O HOH A 196 24.788 19.928 12.473 1.00 32.94 O HETATM 1036 O HOH A 197 27.331 -0.703 32.720 1.00 55.08 O HETATM 1037 O HOH A 198 23.513 26.622 12.656 1.00 37.26 O HETATM 1038 O HOH A 199 35.606 8.784 29.348 1.00 47.66 O HETATM 1039 O HOH A 200 12.453 13.756 30.599 1.00 40.47 O HETATM 1040 O HOH A 201 24.406 14.838 9.104 1.00 34.81 O HETATM 1041 O HOH A 202 34.376 10.769 39.869 1.00 53.58 O HETATM 1042 O HOH A 203 37.629 12.703 33.468 1.00 49.18 O HETATM 1043 O HOH A 204 19.736 22.079 47.990 1.00 44.07 O HETATM 1044 O HOH A 205 23.754 24.761 50.884 1.00 56.61 O HETATM 1045 O HOH A 206 22.899 6.546 40.409 1.00 51.37 O HETATM 1046 O HOH A 207 7.691 13.649 40.360 1.00 58.31 O HETATM 1047 O HOH A 208 22.218 1.006 27.266 1.00 41.46 O HETATM 1048 O HOH A 209 20.876 23.686 49.395 1.00 34.07 O HETATM 1049 O HOH A 210 16.492 13.135 35.203 1.00 27.11 O HETATM 1050 O HOH A 211 25.944 34.179 33.546 1.00 39.54 O HETATM 1051 O HOH A 212 19.346 35.258 22.579 1.00 46.00 O HETATM 1052 O HOH A 213 15.555 17.537 36.647 1.00 24.06 O HETATM 1053 O HOH A 214 37.900 21.013 30.482 1.00 46.25 O HETATM 1054 O HOH A 215 26.456 17.055 14.983 1.00 21.12 O HETATM 1055 O HOH A 216 25.602 29.118 42.128 1.00 25.39 O HETATM 1056 O HOH A 217 25.135 26.168 44.320 1.00 28.31 O HETATM 1057 O HOH A 218 27.004 -1.084 24.140 1.00 39.44 O HETATM 1058 O HOH A 219 16.678 16.028 28.220 1.00 44.00 O HETATM 1059 O HOH A 220 32.323 29.573 18.566 1.00 44.94 O HETATM 1060 O HOH A 221 16.806 24.117 40.631 1.00 36.46 O HETATM 1061 O HOH A 222 13.029 11.261 17.631 1.00 37.69 O HETATM 1062 O HOH A 223 13.430 27.310 21.845 1.00 20.24 O HETATM 1063 O HOH A 224 13.621 13.123 36.787 1.00 44.26 O HETATM 1064 O HOH A 225 36.847 20.110 33.541 1.00 49.32 O CONECT 90 954 CONECT 185 633 CONECT 301 718 CONECT 437 833 CONECT 487 538 CONECT 538 487 CONECT 633 185 CONECT 718 301 CONECT 833 437 CONECT 944 945 952 961 CONECT 945 944 946 CONECT 946 945 947 CONECT 947 946 953 CONECT 948 949 953 960 CONECT 949 948 950 CONECT 950 949 951 CONECT 951 950 952 CONECT 952 944 951 953 CONECT 953 947 948 952 CONECT 954 90 955 CONECT 955 954 956 957 CONECT 956 955 CONECT 957 955 958 CONECT 958 957 959 CONECT 959 958 960 CONECT 960 948 959 CONECT 961 944 962 963 964 CONECT 962 961 CONECT 963 961 CONECT 964 961 END