USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE(NUCLEIC ACID,RNA) 02-MAR-93 1RAR 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 1RAR 1 VERSN REVDAT 1 31-OCT-93 1RAR 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. 1.90 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) : 1.90 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) : 0.172 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 : 944 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 24 REMARK 3 SOLVENT ATOMS : 104 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) : 0.012 ; 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 1RAR 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 (%): 57.85 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.92 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL 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 43.33333 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 21.66667 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 21.66667 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 43.33333 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 N GLU A 2 O HOH A 232 1.84 REMARK 500 O TYR A 115 O HOH A 213 2.11 REMARK 500 O HOH A 157 O HOH A 189 2.12 REMARK 500 O HOH A 164 O HOH A 202 2.17 REMARK 500 O HOH A 167 O HOH A 203 2.18 REMARK 500 O HOH A 164 O HOH A 181 2.18 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 1.58 REMARK 500 NZ LYS A 104 NZ LYS A 104 4556 1.71 REMARK 500 CE LYS A 104 NZ LYS A 104 4556 2.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 39 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 ASP A 83 CB - CG - OD1 ANGL. DEV. = 6.9 DEGREES REMARK 500 ARG A 85 NE - CZ - NH1 ANGL. DEV. = 6.1 DEGREES REMARK 500 TYR A 92 CB - CG - CD1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ASN A 103 N - CA - CB ANGL. DEV. = 12.3 DEGREES REMARK 500 GLU A 111 CA - CB - CG ANGL. DEV. = 14.4 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 LYS A 37 -76.37 -51.15 REMARK 500 HIS A 48 57.79 -98.40 REMARK 500 GLN A 60 -144.97 -100.23 REMARK 500 SER A 90 138.70 -25.71 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 200 DISTANCE = 5.88 ANGSTROMS REMARK 600 REMARK 600 HETEROGEN REMARK 600 REMARK 600 THE FLUORESCENT LABEL AEDANS, THREE CHLORIDE ANIONS AND REMARK 600 103 WATER MOLECULES WERE 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 CL A 126 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 127 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 128 REMARK 800 SITE_IDENTIFIER: AC4 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 1RAR 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 CL A 126 1 HET CL A 127 1 HET CL A 128 1 HET AEN A 125 21 HETNAM CL CHLORIDE ION HETNAM AEN 5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE FORMUL 2 CL 3(CL 1-) FORMUL 5 AEN C14 H16 N2 O4 S FORMUL 6 HOH *104(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 O HIS A 105 N 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 O HIS A 105 N 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 2.02 SSBOND *** CYS A 40 CYS A 95 1555 1555 1.97 SSBOND *** CYS A 58 CYS A 110 1555 1555 2.01 SSBOND *** CYS A 65 CYS A 72 1555 1555 2.06 LINK NE2 HIS A 12 C1' AEN A 125 1555 1555 1.50 CISPEP 1 TYR A 92 PRO A 93 0 1.13 CISPEP 2 ASN A 113 PRO A 114 0 0.25 SITE *** AC1 4 ARG A 10 ASN A 34 SER A 77 THR A 78 SITE *** AC2 3 HIS A 12 THR A 45 HOH A 183 SITE *** AC3 2 THR A 3 HOH A 145 SITE *** AC4 10 LYS A 7 GLN A 11 HIS A 12 ASN A 67 SITE *** AC4 10 VAL A 118 HIS A 119 PHE A 120 HOH A 164 SITE *** AC4 10 HOH A 174 HOH A 214 CRYST1 65.000 65.000 65.000 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 0.015385 0.008882 0.000000 0.00000 SCALE2 0.000000 0.017765 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015385 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 73 TYR OH : rot 18:sc= 0.412 USER MOD Set 1.2: A 115 TYR OH : rot 22:sc= 1.46 USER MOD Set 2.1: A 104 LYS NZ :NH3+ 170:sc= -0.504! (180deg=0) USER MOD Set 2.2: A 123 SER OG : rot -69:sc= 0.426 USER MOD Set 3.1: A 69 GLN : amide:sc= -1.69 K(o=-0.035,f=1.4) USER MOD Set 3.2: A 71 ASN : amide:sc= 1.66 K(o=-0.035,f=-2!) USER MOD Set 4.1: A 41 LYS NZ :NH3+ 174:sc= 0.631 (180deg=0.194) USER MOD Set 4.2: A 44 ASN : amide:sc= 1.58 K(o=2.2,f=-3) USER MOD Set 5.1: A 28 GLN : amide:sc= -0.0992 K(o=-0.099,f=0.61) USER MOD Set 5.2: A 32 SER OG : rot 170:sc= 0 USER MOD Set 6.1: A 30 MET CE :methyl -124:sc= -0.48 (180deg=-0.969) USER MOD Set 6.2: A 97 TYR OH : rot 147:sc= 1.26 USER MOD Set 7.1: A 24 ASN : amide:sc= -0.282 K(o=0.29,f=-1.2) USER MOD Set 7.2: A 27 ASN : amide:sc= 0.572 K(o=0.29,f=-5!) USER MOD Set 8.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: A 25 TYR OH : rot 170:sc= 1.07 USER MOD Set 8.3: A 48 HIS : no HD1:sc= 0.84 K(o=6.7,f=-0.89!) USER MOD Set 8.4: A 80 SER OG : rot -177:sc= 1.71 USER MOD Set 8.5: A 82 THR OG1 : rot -51:sc= 1.1 USER MOD Set 8.6: A 101 GLN : amide:sc= 1.97 K(o=6.7,f=-1.3!) USER MOD Set 9.1: A 21 SER OG : rot 180:sc= 0.277 USER MOD Set 9.2: A 22 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 3 THR OG1 : rot 174:sc= 1.34 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= 0.0612 (180deg=-0.0253) USER MOD Single : A 11 GLN : amide:sc= 0.811 K(o=0.81,f=-4.4!) USER MOD Single : A 13 MET CE :methyl -159:sc= -0.218 (180deg=-1.63) USER MOD Single : A 15 SER OG : rot -72:sc= 0.709 USER MOD Single : A 16 SER OG : rot -54:sc= 0.404 USER MOD Single : A 18 SER OG : rot -107:sc= 0.00493 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -175:sc= -0.369 (180deg=-0.549) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.126) USER MOD Single : A 34 ASN : amide:sc= 0.883 K(o=0.88,f=-1.4!) USER MOD Single : A 36 THR OG1 : rot -50:sc= 0.406 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -42:sc= 0.0168 USER MOD Single : A 50 SER OG : rot 180:sc= 0.097 USER MOD Single : A 55 GLN : amide:sc= -1.52! K(o=-1.5!,f=1.3) USER MOD Single : A 59 SER OG A: rot 74:sc= 1.05 USER MOD Single : A 59 SER OG B: rot -14:sc= 0.326 USER MOD Single : A 60 GLN : amide:sc= 0.923 K(o=0.92,f=-4.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.521 K(o=0.52,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -4.46! C(o=-4.5!,f=-16!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.472 X(o=0.47,f=0.65) USER MOD Single : A 75 SER OG : rot 101:sc= 1.27 USER MOD Single : A 76 TYR OH : rot 30:sc= 1.32 USER MOD Single : A 77 SER OG A: rot 180:sc= 0 USER MOD Single : A 77 SER OG B: rot 117:sc= 1.29 USER MOD Single : A 78 THR OG1 : rot 120:sc= 0.102 USER MOD Single : A 79 MET CE :methyl -141:sc= 0 (180deg=-0.162) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00697 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -113:sc= 0.907 USER MOD Single : A 91 LYS NZ :NH3+ 178:sc= -2.75! (180deg=-2.94!) USER MOD Single : A 92 TYR OH : rot -2:sc= 0.983 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.16) USER MOD Single : A 99 THR OG1 : rot -70:sc= 0.687 USER MOD Single : A 100 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 103 ASN : amide:sc= 1.08 X(o=1.1,f=0.92) USER MOD Single : A 105 HIS : no HE2:sc= -0.756 K(o=-0.76,f=0.014) USER MOD Single : A 113 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -4.38! K(o=-4.4!,f=0.96) USER MOD Single : A 125 AEN O3S : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 23.280 1.638 22.157 1.00 13.67 N ATOM 2 CA GLU A 2 24.039 2.799 22.673 1.00 13.42 C ATOM 3 C GLU A 2 24.063 2.813 24.189 1.00 13.12 C ATOM 4 O GLU A 2 22.982 2.565 24.790 1.00 12.94 O ATOM 5 CB GLU A 2 23.411 4.059 22.123 1.00 14.16 C ATOM 6 CG GLU A 2 24.006 5.422 22.318 1.00 15.38 C ATOM 7 CD GLU A 2 23.412 6.441 21.368 1.00 16.39 C ATOM 8 OE1 GLU A 2 22.176 6.421 21.229 1.00 16.70 O ATOM 9 OE2 GLU A 2 24.135 7.208 20.757 1.00 17.53 O ATOM 0 HA GLU A 2 24.963 2.740 22.382 1.00 13.42 H new ATOM 0 HB2 GLU A 2 23.328 3.930 21.165 1.00 14.16 H new ATOM 0 HB3 GLU A 2 22.511 4.098 22.483 1.00 14.16 H new ATOM 0 HG2 GLU A 2 23.860 5.710 23.233 1.00 15.38 H new ATOM 0 HG3 GLU A 2 24.966 5.377 22.184 1.00 15.38 H new ATOM 10 N THR A 3 25.201 3.056 24.819 1.00 12.34 N ATOM 11 CA THR A 3 25.225 3.063 26.295 1.00 12.08 C ATOM 12 C THR A 3 24.527 4.340 26.778 1.00 12.07 C ATOM 13 O THR A 3 24.397 5.272 25.947 1.00 11.76 O ATOM 14 CB THR A 3 26.671 2.885 26.853 1.00 12.19 C ATOM 15 OG1 THR A 3 27.344 4.145 26.490 1.00 12.55 O ATOM 16 CG2 THR A 3 27.415 1.654 26.306 1.00 11.70 C ATOM 0 H THR A 3 25.954 3.216 24.436 1.00 12.34 H new ATOM 0 HA THR A 3 24.738 2.300 26.645 1.00 12.08 H new ATOM 0 HB THR A 3 26.658 2.717 27.808 1.00 12.19 H new ATOM 0 HG1 THR A 3 28.112 4.161 26.830 1.00 12.55 H new ATOM 0 HG21 THR A 3 28.302 1.611 26.697 1.00 11.70 H new ATOM 0 HG22 THR A 3 26.923 0.850 26.534 1.00 11.70 H new ATOM 0 HG23 THR A 3 27.490 1.723 25.341 1.00 11.70 H new ATOM 17 N ALA A 4 24.116 4.362 28.046 1.00 11.30 N ATOM 18 CA ALA A 4 23.435 5.559 28.572 1.00 10.52 C ATOM 19 C ALA A 4 24.354 6.778 28.480 1.00 10.16 C ATOM 20 O ALA A 4 23.823 7.838 28.110 1.00 10.37 O ATOM 21 CB ALA A 4 22.941 5.367 30.002 1.00 10.13 C ATOM 0 H ALA A 4 24.215 3.718 28.607 1.00 11.30 H new ATOM 0 HA ALA A 4 22.652 5.708 28.020 1.00 10.52 H new ATOM 0 HB1 ALA A 4 22.502 6.177 30.304 1.00 10.13 H new ATOM 0 HB2 ALA A 4 22.313 4.629 30.031 1.00 10.13 H new ATOM 0 HB3 ALA A 4 23.694 5.173 30.581 1.00 10.13 H new ATOM 22 N ALA A 5 25.621 6.663 28.810 1.00 10.01 N ATOM 23 CA ALA A 5 26.539 7.810 28.747 1.00 9.69 C ATOM 24 C ALA A 5 26.701 8.337 27.316 1.00 9.66 C ATOM 25 O ALA A 5 26.718 9.562 27.088 1.00 9.64 O ATOM 26 CB ALA A 5 27.885 7.416 29.377 1.00 9.90 C ATOM 0 H ALA A 5 25.984 5.930 29.076 1.00 10.01 H new ATOM 0 HA ALA A 5 26.161 8.544 29.256 1.00 9.69 H new ATOM 0 HB1 ALA A 5 28.494 8.170 29.338 1.00 9.90 H new ATOM 0 HB2 ALA A 5 27.747 7.160 30.302 1.00 9.90 H new ATOM 0 HB3 ALA A 5 28.265 6.669 28.889 1.00 9.90 H new ATOM 27 N ALA A 6 26.814 7.427 26.349 1.00 8.68 N ATOM 28 CA ALA A 6 26.990 7.809 24.950 1.00 8.55 C ATOM 29 C ALA A 6 25.728 8.473 24.422 1.00 8.78 C ATOM 30 O ALA A 6 25.882 9.389 23.581 1.00 9.14 O ATOM 31 CB ALA A 6 27.386 6.582 24.144 1.00 8.18 C ATOM 0 H ALA A 6 26.791 6.578 26.485 1.00 8.68 H new ATOM 0 HA ALA A 6 27.703 8.462 24.867 1.00 8.55 H new ATOM 0 HB1 ALA A 6 27.504 6.830 23.214 1.00 8.18 H new ATOM 0 HB2 ALA A 6 28.217 6.222 24.490 1.00 8.18 H new ATOM 0 HB3 ALA A 6 26.689 5.911 24.213 1.00 8.18 H new ATOM 32 N LYS A 7 24.581 7.986 24.827 1.00 9.06 N ATOM 33 CA LYS A 7 23.310 8.587 24.352 1.00 10.12 C ATOM 34 C LYS A 7 23.190 10.033 24.849 1.00 10.10 C ATOM 35 O LYS A 7 22.769 10.982 24.123 1.00 9.85 O ATOM 36 CB LYS A 7 22.138 7.713 24.771 1.00 11.64 C ATOM 37 CG LYS A 7 20.807 8.281 24.251 1.00 14.42 C ATOM 38 CD LYS A 7 19.657 7.476 24.829 1.00 16.72 C ATOM 39 CE LYS A 7 18.895 6.735 23.763 1.00 18.72 C ATOM 40 NZ LYS A 7 19.786 5.691 23.195 1.00 20.42 N ATOM 0 H LYS A 7 24.493 7.322 25.366 1.00 9.06 H new ATOM 0 HA LYS A 7 23.302 8.626 23.383 1.00 10.12 H new ATOM 0 HB2 LYS A 7 22.264 6.814 24.430 1.00 11.64 H new ATOM 0 HB3 LYS A 7 22.109 7.648 25.738 1.00 11.64 H new ATOM 0 HG2 LYS A 7 20.721 9.214 24.503 1.00 14.42 H new ATOM 0 HG3 LYS A 7 20.785 8.246 23.282 1.00 14.42 H new ATOM 0 HD2 LYS A 7 20.001 6.843 25.479 1.00 16.72 H new ATOM 0 HD3 LYS A 7 19.054 8.070 25.303 1.00 16.72 H new ATOM 0 HE2 LYS A 7 18.096 6.331 24.137 1.00 18.72 H new ATOM 0 HE3 LYS A 7 18.605 7.346 23.068 1.00 18.72 H new ATOM 0 HZ1 LYS A 7 19.300 5.101 22.740 1.00 20.42 H new ATOM 0 HZ2 LYS A 7 20.378 6.070 22.649 1.00 20.42 H new ATOM 0 HZ3 LYS A 7 20.215 5.276 23.855 1.00 20.42 H new ATOM 41 N PHE A 8 23.599 10.258 26.101 1.00 9.74 N ATOM 42 CA PHE A 8 23.569 11.634 26.679 1.00 9.88 C ATOM 43 C PHE A 8 24.457 12.580 25.857 1.00 9.74 C ATOM 44 O PHE A 8 24.137 13.749 25.499 1.00 9.82 O ATOM 45 CB PHE A 8 23.948 11.645 28.170 1.00 9.97 C ATOM 46 CG PHE A 8 24.076 13.045 28.707 1.00 10.48 C ATOM 47 CD1 PHE A 8 25.311 13.707 28.619 1.00 11.32 C ATOM 48 CD2 PHE A 8 22.975 13.706 29.242 1.00 10.99 C ATOM 49 CE1 PHE A 8 25.452 15.025 29.096 1.00 11.16 C ATOM 50 CE2 PHE A 8 23.093 15.006 29.729 1.00 11.01 C ATOM 51 CZ PHE A 8 24.313 15.668 29.653 1.00 10.95 C ATOM 0 H PHE A 8 23.894 9.650 26.633 1.00 9.74 H new ATOM 0 HA PHE A 8 22.656 11.957 26.628 1.00 9.88 H new ATOM 0 HB2 PHE A 8 23.275 11.165 28.678 1.00 9.97 H new ATOM 0 HB3 PHE A 8 24.787 11.174 28.293 1.00 9.97 H new ATOM 0 HD1 PHE A 8 26.042 13.272 28.243 1.00 11.32 H new ATOM 0 HD2 PHE A 8 22.151 13.275 29.275 1.00 10.99 H new ATOM 0 HE1 PHE A 8 26.270 15.464 29.048 1.00 11.16 H new ATOM 0 HE2 PHE A 8 22.356 15.431 30.105 1.00 11.01 H new ATOM 0 HZ PHE A 8 24.385 16.540 29.969 1.00 10.95 H new ATOM 52 N GLU A 9 25.644 12.081 25.554 1.00 9.37 N ATOM 53 CA GLU A 9 26.653 12.842 24.798 1.00 9.55 C ATOM 54 C GLU A 9 26.130 13.223 23.430 1.00 9.38 C ATOM 55 O GLU A 9 26.222 14.381 23.003 1.00 9.42 O ATOM 56 CB GLU A 9 27.973 12.064 24.638 1.00 10.00 C ATOM 57 CG GLU A 9 28.750 11.856 25.944 1.00 11.05 C ATOM 58 CD GLU A 9 29.807 10.799 25.997 1.00 11.65 C ATOM 59 OE1 GLU A 9 29.877 10.022 25.027 1.00 11.54 O ATOM 60 OE2 GLU A 9 30.561 10.699 26.950 1.00 12.64 O ATOM 0 H GLU A 9 25.897 11.290 25.777 1.00 9.37 H new ATOM 0 HA GLU A 9 26.834 13.644 25.313 1.00 9.55 H new ATOM 0 HB2 GLU A 9 27.779 11.197 24.248 1.00 10.00 H new ATOM 0 HB3 GLU A 9 28.540 12.537 24.009 1.00 10.00 H new ATOM 0 HG2 GLU A 9 29.168 12.700 26.174 1.00 11.05 H new ATOM 0 HG3 GLU A 9 28.104 11.660 26.641 1.00 11.05 H new ATOM 61 N ARG A 10 25.616 12.220 22.733 1.00 9.54 N ATOM 62 CA ARG A 10 25.109 12.441 21.373 1.00 9.35 C ATOM 63 C ARG A 10 23.966 13.442 21.340 1.00 9.42 C ATOM 64 O ARG A 10 23.904 14.348 20.480 1.00 8.95 O ATOM 65 CB ARG A 10 24.704 11.086 20.751 1.00 10.09 C ATOM 66 CG ARG A 10 24.139 11.380 19.328 1.00 10.33 C ATOM 67 CD ARG A 10 23.732 10.100 18.681 1.00 11.25 C ATOM 68 NE ARG A 10 22.764 9.292 19.378 1.00 11.54 N ATOM 69 CZ ARG A 10 21.441 9.345 19.313 1.00 11.82 C ATOM 70 NH1 ARG A 10 20.854 10.235 18.519 1.00 12.12 N ATOM 71 NH2 ARG A 10 20.670 8.507 20.013 1.00 12.18 N ATOM 0 H ARG A 10 25.549 11.412 23.019 1.00 9.54 H new ATOM 0 HA ARG A 10 25.819 12.832 20.840 1.00 9.35 H new ATOM 0 HB2 ARG A 10 25.469 10.491 20.699 1.00 10.09 H new ATOM 0 HB3 ARG A 10 24.037 10.644 21.299 1.00 10.09 H new ATOM 0 HG2 ARG A 10 23.379 11.979 19.389 1.00 10.33 H new ATOM 0 HG3 ARG A 10 24.810 11.827 18.789 1.00 10.33 H new ATOM 0 HD2 ARG A 10 23.376 10.306 17.803 1.00 11.25 H new ATOM 0 HD3 ARG A 10 24.529 9.564 18.545 1.00 11.25 H new ATOM 0 HE ARG A 10 23.088 8.696 19.907 1.00 11.54 H new ATOM 0 HH11 ARG A 10 21.332 10.774 18.050 1.00 12.12 H new ATOM 0 HH12 ARG A 10 19.996 10.272 18.475 1.00 12.12 H new ATOM 0 HH21 ARG A 10 21.030 7.914 20.522 1.00 12.18 H new ATOM 0 HH22 ARG A 10 19.814 8.560 19.955 1.00 12.18 H new ATOM 72 N GLN A 11 23.032 13.322 22.265 1.00 9.26 N ATOM 73 CA GLN A 11 21.860 14.222 22.313 1.00 9.33 C ATOM 74 C GLN A 11 22.090 15.570 22.951 1.00 9.51 C ATOM 75 O GLN A 11 21.321 16.492 22.596 1.00 10.31 O ATOM 76 CB GLN A 11 20.737 13.479 23.065 1.00 10.25 C ATOM 77 CG GLN A 11 20.373 12.165 22.391 1.00 11.23 C ATOM 78 CD GLN A 11 19.085 11.629 22.960 1.00 12.58 C ATOM 79 OE1 GLN A 11 18.616 12.025 24.009 1.00 13.15 O ATOM 80 NE2 GLN A 11 18.408 10.698 22.285 1.00 13.24 N ATOM 0 H GLN A 11 23.046 12.726 22.885 1.00 9.26 H new ATOM 0 HA GLN A 11 21.633 14.429 21.393 1.00 9.33 H new ATOM 0 HB2 GLN A 11 21.019 13.307 23.977 1.00 10.25 H new ATOM 0 HB3 GLN A 11 19.951 14.046 23.113 1.00 10.25 H new ATOM 0 HG2 GLN A 11 20.281 12.299 21.435 1.00 11.23 H new ATOM 0 HG3 GLN A 11 21.085 11.519 22.520 1.00 11.23 H new ATOM 0 HE21 GLN A 11 18.715 10.399 21.540 1.00 13.24 H new ATOM 0 HE22 GLN A 11 17.664 10.397 22.595 1.00 13.24 H new ATOM 81 N HIS A 12 23.082 15.742 23.816 1.00 9.44 N ATOM 82 CA HIS A 12 23.258 17.059 24.470 1.00 9.26 C ATOM 83 C HIS A 12 24.602 17.768 24.414 1.00 9.63 C ATOM 84 O HIS A 12 24.593 18.933 24.890 1.00 9.53 O ATOM 85 CB HIS A 12 22.869 16.861 25.993 1.00 8.83 C ATOM 86 CG HIS A 12 21.457 16.376 26.094 1.00 9.39 C ATOM 87 ND1 HIS A 12 20.371 17.217 25.941 1.00 9.00 N ATOM 88 CD2 HIS A 12 20.943 15.138 26.280 1.00 9.17 C ATOM 89 CE1 HIS A 12 19.262 16.525 26.081 1.00 8.81 C ATOM 90 NE2 HIS A 12 19.565 15.252 26.286 1.00 10.25 N ATOM 0 H HIS A 12 23.652 15.139 24.040 1.00 9.44 H new ATOM 0 HA HIS A 12 22.696 17.652 23.947 1.00 9.26 H new ATOM 0 HB2 HIS A 12 23.470 16.223 26.409 1.00 8.83 H new ATOM 0 HB3 HIS A 12 22.968 17.698 26.473 1.00 8.83 H new ATOM 0 HD1 HIS A 12 20.414 18.061 25.780 1.00 9.00 H new ATOM 0 HD2 HIS A 12 21.429 14.352 26.385 1.00 9.17 H new ATOM 0 HE1 HIS A 12 18.401 16.874 26.042 1.00 8.81 H new ATOM 91 N MET A 13 25.680 17.165 23.935 1.00 9.26 N ATOM 92 CA MET A 13 26.944 17.919 23.967 1.00 10.05 C ATOM 93 C MET A 13 27.300 18.615 22.649 1.00 10.53 C ATOM 94 O MET A 13 27.242 17.959 21.588 1.00 10.92 O ATOM 95 CB MET A 13 28.080 16.987 24.375 1.00 10.36 C ATOM 96 CG MET A 13 28.026 16.388 25.748 1.00 10.73 C ATOM 97 SD MET A 13 28.096 17.729 26.997 1.00 11.50 S ATOM 98 CE MET A 13 29.609 18.568 26.574 1.00 11.57 C ATOM 0 H MET A 13 25.714 16.372 23.605 1.00 9.26 H new ATOM 0 HA MET A 13 26.818 18.628 24.617 1.00 10.05 H new ATOM 0 HB2 MET A 13 28.116 16.261 23.733 1.00 10.36 H new ATOM 0 HB3 MET A 13 28.913 17.478 24.295 1.00 10.36 H new ATOM 0 HG2 MET A 13 27.211 15.873 25.856 1.00 10.73 H new ATOM 0 HG3 MET A 13 28.767 15.775 25.874 1.00 10.73 H new ATOM 0 HE1 MET A 13 29.924 19.074 27.340 1.00 11.57 H new ATOM 0 HE2 MET A 13 30.281 17.916 26.320 1.00 11.57 H new ATOM 0 HE3 MET A 13 29.448 19.172 25.832 1.00 11.57 H new ATOM 99 N ASP A 14 27.637 19.895 22.731 1.00 10.92 N ATOM 100 CA ASP A 14 28.075 20.567 21.474 1.00 12.35 C ATOM 101 C ASP A 14 29.233 21.470 21.934 1.00 13.04 C ATOM 102 O ASP A 14 28.982 22.660 22.123 1.00 13.46 O ATOM 103 CB ASP A 14 27.017 21.309 20.680 1.00 12.68 C ATOM 104 CG ASP A 14 27.711 21.976 19.474 1.00 13.29 C ATOM 105 OD1 ASP A 14 28.919 21.734 19.241 1.00 13.25 O ATOM 106 OD2 ASP A 14 26.976 22.741 18.829 1.00 13.22 O ATOM 0 H ASP A 14 27.628 20.379 23.442 1.00 10.92 H new ATOM 0 HA ASP A 14 28.329 19.901 20.816 1.00 12.35 H new ATOM 0 HB2 ASP A 14 26.327 20.697 20.379 1.00 12.68 H new ATOM 0 HB3 ASP A 14 26.583 21.976 21.234 1.00 12.68 H new ATOM 107 N SER A 15 30.397 20.908 22.139 1.00 13.94 N ATOM 108 CA SER A 15 31.563 21.652 22.600 1.00 14.98 C ATOM 109 C SER A 15 32.279 22.384 21.451 1.00 16.29 C ATOM 110 O SER A 15 33.242 23.132 21.809 1.00 16.98 O ATOM 111 CB SER A 15 32.601 20.765 23.278 1.00 14.73 C ATOM 112 OG SER A 15 32.001 19.855 24.181 1.00 14.74 O ATOM 0 H SER A 15 30.546 20.070 22.015 1.00 13.94 H new ATOM 0 HA SER A 15 31.205 22.289 23.238 1.00 14.98 H new ATOM 0 HB2 SER A 15 33.097 20.274 22.605 1.00 14.73 H new ATOM 0 HB3 SER A 15 33.240 21.319 23.753 1.00 14.73 H new ATOM 0 HG SER A 15 31.732 20.270 24.860 1.00 14.74 H new ATOM 113 N SER A 16 31.866 22.170 20.226 1.00 16.54 N ATOM 114 CA SER A 16 32.608 22.837 19.127 1.00 18.10 C ATOM 115 C SER A 16 32.191 24.281 18.889 1.00 19.24 C ATOM 116 O SER A 16 32.886 24.950 18.087 1.00 19.65 O ATOM 117 CB SER A 16 32.459 21.992 17.862 1.00 17.87 C ATOM 118 OG SER A 16 31.144 22.200 17.361 1.00 18.38 O ATOM 0 H SER A 16 31.201 21.676 19.994 1.00 16.54 H new ATOM 0 HA SER A 16 33.541 22.894 19.388 1.00 18.10 H new ATOM 0 HB2 SER A 16 33.121 22.248 17.201 1.00 17.87 H new ATOM 0 HB3 SER A 16 32.604 21.054 18.060 1.00 17.87 H new ATOM 0 HG SER A 16 30.585 22.042 17.967 1.00 18.38 H new ATOM 119 N THR A 17 31.163 24.792 19.537 1.00 20.06 N ATOM 120 CA THR A 17 30.732 26.187 19.377 1.00 21.02 C ATOM 121 C THR A 17 30.469 26.735 20.779 1.00 21.41 C ATOM 122 O THR A 17 30.075 25.925 21.653 1.00 21.62 O ATOM 123 CB THR A 17 29.507 26.379 18.422 1.00 21.60 C ATOM 124 OG1 THR A 17 28.388 25.742 19.138 1.00 22.47 O ATOM 125 CG2 THR A 17 29.734 25.654 17.077 1.00 22.32 C ATOM 0 H THR A 17 30.683 24.342 20.091 1.00 20.06 H new ATOM 0 HA THR A 17 31.436 26.686 18.934 1.00 21.02 H new ATOM 0 HB THR A 17 29.352 27.314 18.216 1.00 21.60 H new ATOM 0 HG1 THR A 17 27.687 25.809 18.679 1.00 22.47 H new ATOM 0 HG21 THR A 17 28.963 25.787 16.503 1.00 22.32 H new ATOM 0 HG22 THR A 17 30.524 26.014 16.645 1.00 22.32 H new ATOM 0 HG23 THR A 17 29.857 24.705 17.237 1.00 22.32 H new ATOM 126 N SER A 18 30.698 28.021 20.955 1.00 21.58 N ATOM 127 CA SER A 18 30.492 28.593 22.304 1.00 22.15 C ATOM 128 C SER A 18 29.050 29.014 22.519 1.00 22.08 C ATOM 129 O SER A 18 28.649 29.189 23.667 1.00 21.70 O ATOM 130 CB SER A 18 31.446 29.762 22.527 1.00 22.78 C ATOM 131 OG SER A 18 31.143 30.787 21.598 1.00 24.31 O ATOM 0 H SER A 18 30.961 28.571 20.349 1.00 21.58 H new ATOM 0 HA SER A 18 30.687 27.904 22.958 1.00 22.15 H new ATOM 0 HB2 SER A 18 31.361 30.096 23.434 1.00 22.78 H new ATOM 0 HB3 SER A 18 32.365 29.471 22.417 1.00 22.78 H new ATOM 0 HG SER A 18 31.741 30.817 21.009 1.00 24.31 H new ATOM 132 N ALA A 19 28.324 29.176 21.442 1.00 22.62 N ATOM 133 CA ALA A 19 26.929 29.612 21.489 1.00 23.53 C ATOM 134 C ALA A 19 26.238 29.477 20.133 1.00 24.08 C ATOM 135 O ALA A 19 26.914 29.633 19.104 1.00 24.09 O ATOM 136 CB ALA A 19 26.834 31.062 21.934 1.00 23.24 C ATOM 0 H ALA A 19 28.619 29.037 20.646 1.00 22.62 H new ATOM 0 HA ALA A 19 26.482 29.034 22.127 1.00 23.53 H new ATOM 0 HB1 ALA A 19 25.903 31.333 21.959 1.00 23.24 H new ATOM 0 HB2 ALA A 19 27.221 31.155 22.818 1.00 23.24 H new ATOM 0 HB3 ALA A 19 27.317 31.625 21.309 1.00 23.24 H new ATOM 137 N ALA A 20 24.948 29.229 20.211 1.00 24.63 N ATOM 138 CA ALA A 20 24.096 29.089 19.037 1.00 25.71 C ATOM 139 C ALA A 20 24.378 30.247 18.078 1.00 26.42 C ATOM 140 O ALA A 20 24.117 31.406 18.341 1.00 26.94 O ATOM 141 CB ALA A 20 22.609 29.086 19.334 1.00 25.18 C ATOM 0 H ALA A 20 24.530 29.135 20.957 1.00 24.63 H new ATOM 0 HA ALA A 20 24.311 28.223 18.656 1.00 25.71 H new ATOM 0 HB1 ALA A 20 22.114 28.990 18.506 1.00 25.18 H new ATOM 0 HB2 ALA A 20 22.398 28.346 19.924 1.00 25.18 H new ATOM 0 HB3 ALA A 20 22.363 29.921 19.762 1.00 25.18 H new ATOM 142 N SER A 21 24.880 29.844 16.951 1.00 27.30 N ATOM 143 CA SER A 21 25.261 30.632 15.788 1.00 28.09 C ATOM 144 C SER A 21 24.171 31.566 15.258 1.00 27.75 C ATOM 145 O SER A 21 24.241 32.814 15.363 1.00 28.70 O ATOM 146 CB SER A 21 25.691 29.592 14.740 1.00 28.35 C ATOM 147 OG SER A 21 24.653 28.640 14.582 1.00 29.12 O ATOM 0 H SER A 21 25.029 29.007 16.818 1.00 27.30 H new ATOM 0 HA SER A 21 25.970 31.252 16.022 1.00 28.09 H new ATOM 0 HB2 SER A 21 25.878 30.027 13.894 1.00 28.35 H new ATOM 0 HB3 SER A 21 26.509 29.152 15.020 1.00 28.35 H new ATOM 0 HG SER A 21 24.881 28.069 14.009 1.00 29.12 H new ATOM 148 N SER A 22 23.156 30.911 14.695 1.00 26.68 N ATOM 149 CA SER A 22 21.998 31.521 14.105 1.00 24.85 C ATOM 150 C SER A 22 20.674 30.892 14.493 1.00 23.74 C ATOM 151 O SER A 22 20.652 29.917 15.250 1.00 23.43 O ATOM 152 CB SER A 22 22.076 31.350 12.588 1.00 25.57 C ATOM 153 OG SER A 22 22.083 29.945 12.307 1.00 25.46 O ATOM 0 H SER A 22 23.136 30.052 14.651 1.00 26.68 H new ATOM 0 HA SER A 22 22.013 32.439 14.419 1.00 24.85 H new ATOM 0 HB2 SER A 22 21.320 31.779 12.158 1.00 25.57 H new ATOM 0 HB3 SER A 22 22.877 31.771 12.239 1.00 25.57 H new ATOM 0 HG SER A 22 22.124 29.825 11.477 1.00 25.46 H new ATOM 154 N SER A 23 19.635 31.428 13.859 1.00 22.33 N ATOM 155 CA SER A 23 18.281 30.919 14.067 1.00 21.09 C ATOM 156 C SER A 23 18.136 29.520 13.478 1.00 19.83 C ATOM 157 O SER A 23 17.117 28.900 13.818 1.00 20.12 O ATOM 158 CB SER A 23 17.239 31.836 13.452 1.00 22.11 C ATOM 159 OG SER A 23 17.510 31.913 12.041 1.00 23.15 O ATOM 0 H SER A 23 19.691 32.084 13.306 1.00 22.33 H new ATOM 0 HA SER A 23 18.132 30.883 15.025 1.00 21.09 H new ATOM 0 HB2 SER A 23 16.346 31.492 13.610 1.00 22.11 H new ATOM 0 HB3 SER A 23 17.279 32.717 13.856 1.00 22.11 H new ATOM 0 HG SER A 23 16.945 32.415 11.674 1.00 23.15 H new ATOM 160 N ASN A 24 19.045 29.057 12.658 1.00 18.75 N ATOM 161 CA ASN A 24 18.936 27.730 12.040 1.00 18.18 C ATOM 162 C ASN A 24 19.773 26.697 12.786 1.00 16.55 C ATOM 163 O ASN A 24 19.747 25.558 12.294 1.00 15.99 O ATOM 164 CB ASN A 24 19.340 27.751 10.556 1.00 21.42 C ATOM 165 CG ASN A 24 18.803 26.581 9.754 1.00 24.34 C ATOM 166 OD1 ASN A 24 17.573 26.477 9.480 1.00 26.42 O ATOM 167 ND2 ASN A 24 19.584 25.596 9.250 1.00 25.61 N ATOM 0 H ASN A 24 19.751 29.493 12.433 1.00 18.75 H new ATOM 0 HA ASN A 24 18.001 27.477 12.097 1.00 18.18 H new ATOM 0 HB2 ASN A 24 19.025 28.577 10.156 1.00 21.42 H new ATOM 0 HB3 ASN A 24 20.308 27.757 10.494 1.00 21.42 H new ATOM 0 HD21 ASN A 24 19.232 24.965 8.784 1.00 25.61 H new ATOM 0 HD22 ASN A 24 20.431 25.602 9.396 1.00 25.61 H new ATOM 168 N TYR A 25 20.421 27.091 13.867 1.00 14.95 N ATOM 169 CA TYR A 25 21.253 26.121 14.620 1.00 13.62 C ATOM 170 C TYR A 25 20.492 24.846 14.982 1.00 13.11 C ATOM 171 O TYR A 25 21.022 23.720 14.761 1.00 12.66 O ATOM 172 CB TYR A 25 21.871 26.828 15.861 1.00 12.76 C ATOM 173 CG TYR A 25 22.568 25.904 16.849 1.00 12.66 C ATOM 174 CD1 TYR A 25 21.854 25.231 17.849 1.00 12.73 C ATOM 175 CD2 TYR A 25 23.940 25.658 16.761 1.00 12.48 C ATOM 176 CE1 TYR A 25 22.475 24.362 18.736 1.00 12.39 C ATOM 177 CE2 TYR A 25 24.592 24.803 17.643 1.00 12.06 C ATOM 178 CZ TYR A 25 23.845 24.158 18.629 1.00 12.51 C ATOM 179 OH TYR A 25 24.442 23.300 19.523 1.00 12.84 O ATOM 0 H TYR A 25 20.405 27.889 14.188 1.00 14.95 H new ATOM 0 HA TYR A 25 21.975 25.822 14.045 1.00 13.62 H new ATOM 0 HB2 TYR A 25 22.509 27.491 15.554 1.00 12.76 H new ATOM 0 HB3 TYR A 25 21.168 27.306 16.327 1.00 12.76 H new ATOM 0 HD1 TYR A 25 20.937 25.370 17.921 1.00 12.73 H new ATOM 0 HD2 TYR A 25 24.432 26.078 16.093 1.00 12.48 H new ATOM 0 HE1 TYR A 25 21.982 23.924 19.391 1.00 12.39 H new ATOM 0 HE2 TYR A 25 25.509 24.664 17.577 1.00 12.06 H new ATOM 0 HH TYR A 25 25.231 23.145 19.279 1.00 12.84 H new ATOM 180 N CYS A 26 19.277 25.010 15.536 1.00 12.64 N ATOM 181 CA CYS A 26 18.511 23.815 15.976 1.00 12.58 C ATOM 182 C CYS A 26 18.129 22.927 14.784 1.00 13.11 C ATOM 183 O CYS A 26 18.228 21.678 14.929 1.00 13.11 O ATOM 184 CB CYS A 26 17.321 24.235 16.844 1.00 11.19 C ATOM 185 SG CYS A 26 17.851 24.765 18.521 1.00 10.37 S ATOM 0 H CYS A 26 18.889 25.767 15.664 1.00 12.64 H new ATOM 0 HA CYS A 26 19.077 23.261 16.537 1.00 12.58 H new ATOM 0 HB2 CYS A 26 16.845 24.961 16.411 1.00 11.19 H new ATOM 0 HB3 CYS A 26 16.699 23.494 16.921 1.00 11.19 H new ATOM 186 N ASN A 27 17.718 23.503 13.676 1.00 13.49 N ATOM 187 CA ASN A 27 17.368 22.689 12.486 1.00 14.15 C ATOM 188 C ASN A 27 18.584 21.826 12.114 1.00 14.02 C ATOM 189 O ASN A 27 18.420 20.607 11.929 1.00 14.29 O ATOM 190 CB ASN A 27 16.858 23.568 11.337 1.00 14.73 C ATOM 191 CG ASN A 27 15.491 24.147 11.696 1.00 15.83 C ATOM 192 OD1 ASN A 27 14.670 23.629 12.465 1.00 15.69 O ATOM 193 ND2 ASN A 27 15.150 25.313 11.137 1.00 17.11 N ATOM 0 H ASN A 27 17.629 24.352 13.573 1.00 13.49 H new ATOM 0 HA ASN A 27 16.629 22.093 12.687 1.00 14.15 H new ATOM 0 HB2 ASN A 27 17.487 24.286 11.164 1.00 14.73 H new ATOM 0 HB3 ASN A 27 16.793 23.045 10.523 1.00 14.73 H new ATOM 0 HD21 ASN A 27 14.389 25.670 11.318 1.00 17.11 H new ATOM 0 HD22 ASN A 27 15.692 25.706 10.597 1.00 17.11 H new ATOM 194 N GLN A 28 19.738 22.434 12.037 1.00 14.11 N ATOM 195 CA GLN A 28 20.969 21.715 11.650 1.00 15.66 C ATOM 196 C GLN A 28 21.374 20.623 12.647 1.00 15.31 C ATOM 197 O GLN A 28 21.585 19.462 12.249 1.00 14.35 O ATOM 198 CB GLN A 28 22.141 22.700 11.426 1.00 18.20 C ATOM 199 CG GLN A 28 23.496 22.074 11.208 1.00 21.62 C ATOM 200 CD GLN A 28 24.549 21.913 12.269 1.00 23.20 C ATOM 201 OE1 GLN A 28 24.988 22.895 12.908 1.00 24.63 O ATOM 202 NE2 GLN A 28 25.077 20.697 12.506 1.00 23.48 N ATOM 0 H GLN A 28 19.852 23.270 12.202 1.00 14.11 H new ATOM 0 HA GLN A 28 20.764 21.267 10.814 1.00 15.66 H new ATOM 0 HB2 GLN A 28 21.933 23.254 10.658 1.00 18.20 H new ATOM 0 HB3 GLN A 28 22.196 23.290 12.194 1.00 18.20 H new ATOM 0 HG2 GLN A 28 23.326 21.183 10.863 1.00 21.62 H new ATOM 0 HG3 GLN A 28 23.912 22.581 10.493 1.00 21.62 H new ATOM 0 HE21 GLN A 28 24.787 20.011 12.076 1.00 23.48 H new ATOM 0 HE22 GLN A 28 25.704 20.606 13.088 1.00 23.48 H new ATOM 203 N MET A 29 21.480 21.062 13.914 1.00 15.14 N ATOM 204 CA MET A 29 21.911 20.098 14.964 1.00 15.42 C ATOM 205 C MET A 29 20.928 18.956 15.221 1.00 14.82 C ATOM 206 O MET A 29 21.451 17.819 15.444 1.00 14.72 O ATOM 207 CB MET A 29 22.218 20.863 16.266 1.00 16.32 C ATOM 208 CG MET A 29 23.454 21.690 16.109 1.00 17.63 C ATOM 209 SD MET A 29 24.970 20.673 16.007 1.00 19.27 S ATOM 210 CE MET A 29 24.861 19.486 17.338 1.00 17.92 C ATOM 0 H MET A 29 21.319 21.863 14.182 1.00 15.14 H new ATOM 0 HA MET A 29 22.711 19.665 14.628 1.00 15.42 H new ATOM 0 HB2 MET A 29 21.468 21.433 16.497 1.00 16.32 H new ATOM 0 HB3 MET A 29 22.333 20.236 16.997 1.00 16.32 H new ATOM 0 HG2 MET A 29 23.377 22.232 15.308 1.00 17.63 H new ATOM 0 HG3 MET A 29 23.528 22.301 16.859 1.00 17.63 H new ATOM 0 HE1 MET A 29 25.681 18.969 17.379 1.00 17.92 H new ATOM 0 HE2 MET A 29 24.731 19.953 18.178 1.00 17.92 H new ATOM 0 HE3 MET A 29 24.112 18.891 17.180 1.00 17.92 H new ATOM 211 N MET A 30 19.628 19.205 15.222 1.00 14.38 N ATOM 212 CA MET A 30 18.678 18.119 15.503 1.00 14.41 C ATOM 213 C MET A 30 18.825 17.076 14.393 1.00 15.57 C ATOM 214 O MET A 30 18.674 15.893 14.731 1.00 15.00 O ATOM 215 CB MET A 30 17.237 18.586 15.638 1.00 13.81 C ATOM 216 CG MET A 30 17.147 19.586 16.758 1.00 13.77 C ATOM 217 SD MET A 30 17.366 18.787 18.386 1.00 13.84 S ATOM 218 CE MET A 30 15.851 17.795 18.456 1.00 13.48 C ATOM 0 H MET A 30 19.273 19.973 15.067 1.00 14.38 H new ATOM 0 HA MET A 30 18.893 17.738 16.369 1.00 14.41 H new ATOM 0 HB2 MET A 30 16.936 18.986 14.807 1.00 13.81 H new ATOM 0 HB3 MET A 30 16.656 17.830 15.816 1.00 13.81 H new ATOM 0 HG2 MET A 30 17.824 20.270 16.638 1.00 13.77 H new ATOM 0 HG3 MET A 30 16.286 20.031 16.728 1.00 13.77 H new ATOM 0 HE1 MET A 30 15.355 18.017 19.260 1.00 13.48 H new ATOM 0 HE2 MET A 30 15.304 17.983 17.677 1.00 13.48 H new ATOM 0 HE3 MET A 30 16.081 16.853 18.469 1.00 13.48 H new ATOM 219 N LYS A 31 19.102 17.531 13.167 1.00 15.95 N ATOM 220 CA LYS A 31 19.256 16.546 12.089 1.00 17.56 C ATOM 221 C LYS A 31 20.617 15.833 12.129 1.00 17.25 C ATOM 222 O LYS A 31 20.627 14.588 11.996 1.00 17.30 O ATOM 223 CB LYS A 31 19.115 17.146 10.688 1.00 20.66 C ATOM 224 CG LYS A 31 17.666 17.234 10.175 1.00 24.41 C ATOM 225 CD LYS A 31 17.744 17.635 8.681 1.00 26.95 C ATOM 226 CE LYS A 31 18.635 16.620 7.956 1.00 29.10 C ATOM 227 NZ LYS A 31 17.924 15.280 7.897 1.00 30.53 N ATOM 0 H LYS A 31 19.200 18.356 12.945 1.00 15.95 H new ATOM 0 HA LYS A 31 18.535 15.918 12.252 1.00 17.56 H new ATOM 0 HB2 LYS A 31 19.500 18.036 10.689 1.00 20.66 H new ATOM 0 HB3 LYS A 31 19.635 16.613 10.066 1.00 20.66 H new ATOM 0 HG2 LYS A 31 17.212 16.383 10.280 1.00 24.41 H new ATOM 0 HG3 LYS A 31 17.161 17.889 10.681 1.00 24.41 H new ATOM 0 HD2 LYS A 31 16.857 17.648 8.288 1.00 26.95 H new ATOM 0 HD3 LYS A 31 18.108 18.530 8.590 1.00 26.95 H new ATOM 0 HE2 LYS A 31 18.835 16.932 7.059 1.00 29.10 H new ATOM 0 HE3 LYS A 31 19.482 16.528 8.420 1.00 29.10 H new ATOM 0 HZ1 LYS A 31 18.361 14.736 7.344 1.00 30.53 H new ATOM 0 HZ2 LYS A 31 17.901 14.920 8.711 1.00 30.53 H new ATOM 0 HZ3 LYS A 31 17.093 15.398 7.601 1.00 30.53 H new ATOM 228 N SER A 32 21.689 16.596 12.280 1.00 16.91 N ATOM 229 CA SER A 32 23.002 15.908 12.253 1.00 17.11 C ATOM 230 C SER A 32 23.160 14.989 13.463 1.00 17.13 C ATOM 231 O SER A 32 23.935 14.025 13.245 1.00 16.73 O ATOM 232 CB SER A 32 24.096 16.940 12.102 1.00 18.49 C ATOM 233 OG SER A 32 24.390 17.644 13.258 1.00 20.32 O ATOM 0 H SER A 32 21.700 17.449 12.392 1.00 16.91 H new ATOM 0 HA SER A 32 23.065 15.319 11.485 1.00 17.11 H new ATOM 0 HB2 SER A 32 24.902 16.497 11.794 1.00 18.49 H new ATOM 0 HB3 SER A 32 23.837 17.570 11.411 1.00 18.49 H new ATOM 0 HG SER A 32 25.089 18.095 13.142 1.00 20.32 H new ATOM 234 N ARG A 33 22.525 15.221 14.596 1.00 16.17 N ATOM 235 CA ARG A 33 22.701 14.277 15.722 1.00 16.68 C ATOM 236 C ARG A 33 21.687 13.133 15.646 1.00 16.93 C ATOM 237 O ARG A 33 21.520 12.320 16.579 1.00 17.01 O ATOM 238 CB ARG A 33 22.632 14.976 17.096 1.00 15.38 C ATOM 239 CG ARG A 33 23.848 15.830 17.402 1.00 14.44 C ATOM 240 CD ARG A 33 25.162 15.117 17.314 1.00 12.82 C ATOM 241 NE ARG A 33 26.253 16.052 17.536 1.00 12.49 N ATOM 242 CZ ARG A 33 26.678 16.495 18.720 1.00 12.01 C ATOM 243 NH1 ARG A 33 26.110 16.019 19.824 1.00 11.64 N ATOM 244 NH2 ARG A 33 27.626 17.417 18.825 1.00 11.46 N ATOM 0 H ARG A 33 22.003 15.888 14.747 1.00 16.17 H new ATOM 0 HA ARG A 33 23.593 13.906 15.636 1.00 16.68 H new ATOM 0 HB2 ARG A 33 21.838 15.533 17.128 1.00 15.38 H new ATOM 0 HB3 ARG A 33 22.535 14.304 17.788 1.00 15.38 H new ATOM 0 HG2 ARG A 33 23.861 16.581 16.788 1.00 14.44 H new ATOM 0 HG3 ARG A 33 23.753 16.195 18.296 1.00 14.44 H new ATOM 0 HD2 ARG A 33 25.197 14.406 17.973 1.00 12.82 H new ATOM 0 HD3 ARG A 33 25.255 14.701 16.442 1.00 12.82 H new ATOM 0 HE ARG A 33 26.662 16.347 16.839 1.00 12.49 H new ATOM 0 HH11 ARG A 33 25.480 15.436 19.767 1.00 11.64 H new ATOM 0 HH12 ARG A 33 26.372 16.294 20.595 1.00 11.64 H new ATOM 0 HH21 ARG A 33 27.985 17.747 18.117 1.00 11.46 H new ATOM 0 HH22 ARG A 33 27.881 17.685 19.601 1.00 11.46 H new ATOM 245 N ASN A 34 20.979 13.063 14.534 1.00 17.45 N ATOM 246 CA ASN A 34 19.991 12.021 14.262 1.00 18.16 C ATOM 247 C ASN A 34 18.775 12.082 15.148 1.00 18.93 C ATOM 248 O ASN A 34 18.222 11.016 15.439 1.00 18.73 O ATOM 249 CB ASN A 34 20.743 10.666 14.378 1.00 19.41 C ATOM 250 CG ASN A 34 21.633 10.480 13.140 1.00 20.18 C ATOM 251 OD1 ASN A 34 21.178 10.883 12.049 1.00 20.84 O ATOM 252 ND2 ASN A 34 22.832 9.927 13.242 1.00 20.42 N ATOM 0 H ASN A 34 21.058 13.633 13.895 1.00 17.45 H new ATOM 0 HA ASN A 34 19.622 12.145 13.373 1.00 18.16 H new ATOM 0 HB2 ASN A 34 21.283 10.650 15.184 1.00 19.41 H new ATOM 0 HB3 ASN A 34 20.108 9.936 14.447 1.00 19.41 H new ATOM 0 HD21 ASN A 34 23.324 9.836 12.543 1.00 20.42 H new ATOM 0 HD22 ASN A 34 23.118 9.659 14.007 1.00 20.42 H new ATOM 253 N LEU A 35 18.321 13.254 15.545 1.00 19.43 N ATOM 254 CA LEU A 35 17.136 13.339 16.417 1.00 20.70 C ATOM 255 C LEU A 35 15.882 13.592 15.599 1.00 21.98 C ATOM 256 O LEU A 35 14.830 13.840 16.224 1.00 22.56 O ATOM 257 CB LEU A 35 17.474 14.393 17.491 1.00 20.03 C ATOM 258 CG LEU A 35 18.765 14.190 18.294 1.00 19.89 C ATOM 259 CD1 LEU A 35 19.065 15.344 19.237 1.00 19.42 C ATOM 260 CD2 LEU A 35 18.582 12.927 19.127 1.00 20.04 C ATOM 0 H LEU A 35 18.670 14.010 15.331 1.00 19.43 H new ATOM 0 HA LEU A 35 16.929 12.508 16.872 1.00 20.70 H new ATOM 0 HB2 LEU A 35 17.524 15.259 17.057 1.00 20.03 H new ATOM 0 HB3 LEU A 35 16.734 14.432 18.117 1.00 20.03 H new ATOM 0 HG LEU A 35 19.506 14.129 17.671 1.00 19.89 H new ATOM 0 HD11 LEU A 35 19.888 15.164 19.717 1.00 19.42 H new ATOM 0 HD12 LEU A 35 19.162 16.163 18.726 1.00 19.42 H new ATOM 0 HD13 LEU A 35 18.337 15.442 19.870 1.00 19.42 H new ATOM 0 HD21 LEU A 35 19.382 12.766 19.651 1.00 20.04 H new ATOM 0 HD22 LEU A 35 17.824 13.038 19.722 1.00 20.04 H new ATOM 0 HD23 LEU A 35 18.423 12.172 18.539 1.00 20.04 H new ATOM 261 N THR A 36 15.972 13.546 14.281 1.00 23.42 N ATOM 262 CA THR A 36 14.805 13.773 13.407 1.00 25.14 C ATOM 263 C THR A 36 14.538 12.564 12.512 1.00 26.93 C ATOM 264 O THR A 36 13.649 12.564 11.639 1.00 27.01 O ATOM 265 CB THR A 36 14.942 15.083 12.553 1.00 24.32 C ATOM 266 OG1 THR A 36 16.066 14.939 11.650 1.00 23.61 O ATOM 267 CG2 THR A 36 15.120 16.338 13.441 1.00 24.66 C ATOM 0 H THR A 36 16.703 13.384 13.858 1.00 23.42 H new ATOM 0 HA THR A 36 14.040 13.893 13.991 1.00 25.14 H new ATOM 0 HB THR A 36 14.123 15.208 12.049 1.00 24.32 H new ATOM 0 HG1 THR A 36 16.739 14.679 12.080 1.00 23.61 H new ATOM 0 HG21 THR A 36 15.201 17.124 12.878 1.00 24.66 H new ATOM 0 HG22 THR A 36 14.350 16.435 14.023 1.00 24.66 H new ATOM 0 HG23 THR A 36 15.921 16.243 13.979 1.00 24.66 H new ATOM 268 N LYS A 37 15.301 11.520 12.774 1.00 28.66 N ATOM 269 CA LYS A 37 15.282 10.232 12.083 1.00 30.67 C ATOM 270 C LYS A 37 13.896 9.607 11.968 1.00 31.21 C ATOM 271 O LYS A 37 13.333 9.656 10.838 1.00 31.85 O ATOM 272 CB LYS A 37 16.189 9.224 12.796 1.00 32.15 C ATOM 273 CG LYS A 37 17.117 8.408 11.906 1.00 34.05 C ATOM 274 CD LYS A 37 16.485 7.187 11.258 1.00 35.61 C ATOM 275 CE LYS A 37 17.459 6.305 10.492 1.00 36.58 C ATOM 276 NZ LYS A 37 17.787 6.794 9.117 1.00 37.03 N ATOM 0 H LYS A 37 15.887 11.540 13.403 1.00 28.66 H new ATOM 0 HA LYS A 37 15.598 10.426 11.187 1.00 30.67 H new ATOM 0 HB2 LYS A 37 16.730 9.704 13.442 1.00 32.15 H new ATOM 0 HB3 LYS A 37 15.629 8.610 13.296 1.00 32.15 H new ATOM 0 HG2 LYS A 37 17.461 8.985 11.207 1.00 34.05 H new ATOM 0 HG3 LYS A 37 17.877 8.119 12.435 1.00 34.05 H new ATOM 0 HD2 LYS A 37 16.057 6.655 11.947 1.00 35.61 H new ATOM 0 HD3 LYS A 37 15.787 7.481 10.652 1.00 35.61 H new ATOM 0 HE2 LYS A 37 18.281 6.231 11.002 1.00 36.58 H new ATOM 0 HE3 LYS A 37 17.086 5.412 10.425 1.00 36.58 H new ATOM 0 HZ1 LYS A 37 18.359 6.232 8.730 1.00 37.03 H new ATOM 0 HZ2 LYS A 37 17.042 6.839 8.632 1.00 37.03 H new ATOM 0 HZ3 LYS A 37 18.156 7.602 9.169 1.00 37.03 H new ATOM 277 N ASP A 38 13.395 9.038 13.053 1.00 31.73 N ATOM 278 CA ASP A 38 12.051 8.401 12.939 1.00 32.56 C ATOM 279 C ASP A 38 10.901 9.293 13.369 1.00 32.13 C ATOM 280 O ASP A 38 9.714 8.920 13.229 1.00 32.89 O ATOM 281 CB ASP A 38 12.152 7.070 13.714 1.00 34.81 C ATOM 282 CG ASP A 38 13.000 6.147 12.817 1.00 36.39 C ATOM 283 OD1 ASP A 38 12.756 6.115 11.593 1.00 37.05 O ATOM 284 OD2 ASP A 38 13.911 5.509 13.399 1.00 37.50 O ATOM 0 H ASP A 38 13.772 8.999 13.825 1.00 31.73 H new ATOM 0 HA ASP A 38 11.826 8.237 12.010 1.00 32.56 H new ATOM 0 HB2 ASP A 38 12.570 7.199 14.580 1.00 34.81 H new ATOM 0 HB3 ASP A 38 11.274 6.691 13.877 1.00 34.81 H new ATOM 285 N ARG A 39 11.215 10.466 13.875 1.00 31.09 N ATOM 286 CA ARG A 39 10.213 11.428 14.336 1.00 29.83 C ATOM 287 C ARG A 39 10.948 12.720 14.696 1.00 27.96 C ATOM 288 O ARG A 39 12.197 12.767 14.610 1.00 27.62 O ATOM 289 CB ARG A 39 9.403 10.841 15.475 1.00 32.45 C ATOM 290 CG ARG A 39 10.157 10.356 16.694 1.00 35.99 C ATOM 291 CD ARG A 39 11.036 9.194 16.429 1.00 39.42 C ATOM 292 NE ARG A 39 10.560 7.818 16.534 1.00 42.04 N ATOM 293 CZ ARG A 39 10.233 7.231 17.705 1.00 43.35 C ATOM 294 NH1 ARG A 39 10.269 7.868 18.891 1.00 44.15 N ATOM 295 NH2 ARG A 39 9.897 5.935 17.768 1.00 43.70 N ATOM 0 H ARG A 39 12.025 10.739 13.966 1.00 31.09 H new ATOM 0 HA ARG A 39 9.564 11.633 13.645 1.00 29.83 H new ATOM 0 HB2 ARG A 39 8.765 11.512 15.765 1.00 32.45 H new ATOM 0 HB3 ARG A 39 8.891 10.096 15.124 1.00 32.45 H new ATOM 0 HG2 ARG A 39 10.694 11.084 17.043 1.00 35.99 H new ATOM 0 HG3 ARG A 39 9.519 10.118 17.385 1.00 35.99 H new ATOM 0 HD2 ARG A 39 11.378 9.303 15.528 1.00 39.42 H new ATOM 0 HD3 ARG A 39 11.793 9.274 17.031 1.00 39.42 H new ATOM 0 HE ARG A 39 10.484 7.357 15.812 1.00 42.04 H new ATOM 0 HH11 ARG A 39 10.510 8.693 18.929 1.00 44.15 H new ATOM 0 HH12 ARG A 39 10.051 7.450 19.610 1.00 44.15 H new ATOM 0 HH21 ARG A 39 9.886 5.458 17.052 1.00 43.70 H new ATOM 0 HH22 ARG A 39 9.692 5.580 18.524 1.00 43.70 H new ATOM 296 N CYS A 40 10.131 13.711 15.033 1.00 25.78 N ATOM 297 CA CYS A 40 10.721 15.011 15.412 1.00 23.45 C ATOM 298 C CYS A 40 10.878 15.012 16.931 1.00 21.70 C ATOM 299 O CYS A 40 9.789 15.046 17.534 1.00 21.73 O ATOM 300 CB CYS A 40 9.899 16.183 14.948 1.00 22.84 C ATOM 301 SG CYS A 40 9.631 16.356 13.178 1.00 22.67 S ATOM 0 H CYS A 40 9.272 13.668 15.052 1.00 25.78 H new ATOM 0 HA CYS A 40 11.580 15.114 14.974 1.00 23.45 H new ATOM 0 HB2 CYS A 40 9.032 16.130 15.379 1.00 22.84 H new ATOM 0 HB3 CYS A 40 10.325 16.994 15.267 1.00 22.84 H new ATOM 302 N LYS A 41 12.098 14.984 17.449 1.00 20.21 N ATOM 303 CA LYS A 41 12.232 15.052 18.944 1.00 18.24 C ATOM 304 C LYS A 41 11.654 16.424 19.287 1.00 16.82 C ATOM 305 O LYS A 41 12.149 17.424 18.714 1.00 16.32 O ATOM 306 CB LYS A 41 13.634 14.850 19.458 1.00 18.65 C ATOM 307 CG LYS A 41 13.740 14.613 20.972 1.00 18.64 C ATOM 308 CD LYS A 41 15.193 14.292 21.338 1.00 18.77 C ATOM 309 CE LYS A 41 15.311 13.783 22.768 1.00 19.07 C ATOM 310 NZ LYS A 41 15.390 14.923 23.724 1.00 18.69 N ATOM 0 H LYS A 41 12.832 14.930 17.005 1.00 20.21 H new ATOM 0 HA LYS A 41 11.763 14.323 19.379 1.00 18.24 H new ATOM 0 HB2 LYS A 41 14.028 14.093 18.997 1.00 18.65 H new ATOM 0 HB3 LYS A 41 14.164 15.629 19.228 1.00 18.65 H new ATOM 0 HG2 LYS A 41 13.441 15.400 21.454 1.00 18.64 H new ATOM 0 HG3 LYS A 41 13.160 13.881 21.236 1.00 18.64 H new ATOM 0 HD2 LYS A 41 15.542 13.625 20.726 1.00 18.77 H new ATOM 0 HD3 LYS A 41 15.738 15.087 21.231 1.00 18.77 H new ATOM 0 HE2 LYS A 41 14.546 13.226 22.983 1.00 19.07 H new ATOM 0 HE3 LYS A 41 16.101 13.226 22.855 1.00 19.07 H new ATOM 0 HZ1 LYS A 41 15.371 14.613 24.558 1.00 18.69 H new ATOM 0 HZ2 LYS A 41 16.148 15.370 23.591 1.00 18.69 H new ATOM 0 HZ3 LYS A 41 14.698 15.468 23.594 1.00 18.69 H new ATOM 311 N PRO A 42 10.663 16.467 20.146 1.00 15.79 N ATOM 312 CA PRO A 42 9.988 17.744 20.444 1.00 14.87 C ATOM 313 C PRO A 42 10.803 18.792 21.181 1.00 14.34 C ATOM 314 O PRO A 42 10.588 19.982 20.864 1.00 14.04 O ATOM 315 CB PRO A 42 8.746 17.312 21.211 1.00 14.88 C ATOM 316 CG PRO A 42 9.118 15.990 21.830 1.00 15.72 C ATOM 317 CD PRO A 42 10.042 15.319 20.808 1.00 15.73 C ATOM 0 HA PRO A 42 9.802 18.224 19.622 1.00 14.87 H new ATOM 0 HB2 PRO A 42 8.506 17.963 21.889 1.00 14.88 H new ATOM 0 HB3 PRO A 42 7.981 17.222 20.621 1.00 14.88 H new ATOM 0 HG2 PRO A 42 9.567 16.115 22.681 1.00 15.72 H new ATOM 0 HG3 PRO A 42 8.332 15.449 22.001 1.00 15.72 H new ATOM 0 HD2 PRO A 42 10.700 14.748 21.235 1.00 15.73 H new ATOM 0 HD3 PRO A 42 9.549 14.765 20.183 1.00 15.73 H new ATOM 318 N VAL A 43 11.673 18.419 22.078 1.00 13.05 N ATOM 319 CA VAL A 43 12.462 19.370 22.868 1.00 12.74 C ATOM 320 C VAL A 43 13.852 18.776 23.145 1.00 12.07 C ATOM 321 O VAL A 43 13.895 17.586 23.511 1.00 11.99 O ATOM 322 CB VAL A 43 11.763 19.754 24.179 1.00 13.16 C ATOM 323 CG1 VAL A 43 12.533 20.744 25.050 1.00 14.09 C ATOM 324 CG2 VAL A 43 10.341 20.255 23.997 1.00 13.72 C ATOM 0 H VAL A 43 11.838 17.595 22.262 1.00 13.05 H new ATOM 0 HA VAL A 43 12.555 20.186 22.352 1.00 12.74 H new ATOM 0 HB VAL A 43 11.736 18.906 24.649 1.00 13.16 H new ATOM 0 HG11 VAL A 43 12.024 20.932 25.854 1.00 14.09 H new ATOM 0 HG12 VAL A 43 13.391 20.362 25.293 1.00 14.09 H new ATOM 0 HG13 VAL A 43 12.674 21.568 24.557 1.00 14.09 H new ATOM 0 HG21 VAL A 43 9.963 20.478 24.862 1.00 13.72 H new ATOM 0 HG22 VAL A 43 10.345 21.044 23.433 1.00 13.72 H new ATOM 0 HG23 VAL A 43 9.805 19.563 23.579 1.00 13.72 H new ATOM 325 N ASN A 44 14.861 19.610 22.983 1.00 11.21 N ATOM 326 CA ASN A 44 16.235 19.108 23.224 1.00 10.76 C ATOM 327 C ASN A 44 17.176 20.252 23.577 1.00 10.42 C ATOM 328 O ASN A 44 17.127 21.239 22.812 1.00 11.30 O ATOM 329 CB ASN A 44 16.701 18.296 22.000 1.00 10.07 C ATOM 330 CG ASN A 44 17.961 17.517 22.351 1.00 9.95 C ATOM 331 OD1 ASN A 44 17.827 16.566 23.116 1.00 10.20 O ATOM 332 ND2 ASN A 44 19.123 17.861 21.829 1.00 9.60 N ATOM 0 H ASN A 44 14.797 20.434 22.746 1.00 11.21 H new ATOM 0 HA ASN A 44 16.242 18.513 23.990 1.00 10.76 H new ATOM 0 HB2 ASN A 44 16.001 17.686 21.720 1.00 10.07 H new ATOM 0 HB3 ASN A 44 16.875 18.891 21.254 1.00 10.07 H new ATOM 0 HD21 ASN A 44 19.831 17.411 22.021 1.00 9.60 H new ATOM 0 HD22 ASN A 44 19.173 18.535 21.297 1.00 9.60 H new ATOM 333 N THR A 45 17.973 20.114 24.612 1.00 9.55 N ATOM 334 CA THR A 45 18.928 21.122 25.007 1.00 9.07 C ATOM 335 C THR A 45 20.381 20.723 24.746 1.00 8.75 C ATOM 336 O THR A 45 20.786 19.656 25.204 1.00 8.59 O ATOM 337 CB THR A 45 18.808 21.506 26.549 1.00 9.85 C ATOM 338 OG1 THR A 45 17.393 21.831 26.742 1.00 10.36 O ATOM 339 CG2 THR A 45 19.637 22.753 26.922 1.00 9.81 C ATOM 0 H THR A 45 17.975 19.417 25.116 1.00 9.55 H new ATOM 0 HA THR A 45 18.702 21.884 24.452 1.00 9.07 H new ATOM 0 HB THR A 45 19.135 20.776 27.098 1.00 9.85 H new ATOM 0 HG1 THR A 45 17.118 22.283 26.090 1.00 10.36 H new ATOM 0 HG21 THR A 45 19.529 22.943 27.867 1.00 9.81 H new ATOM 0 HG22 THR A 45 20.574 22.588 26.730 1.00 9.81 H new ATOM 0 HG23 THR A 45 19.330 23.513 26.403 1.00 9.81 H new ATOM 340 N PHE A 46 21.108 21.574 24.048 1.00 8.43 N ATOM 341 CA PHE A 46 22.537 21.385 23.778 1.00 8.26 C ATOM 342 C PHE A 46 23.328 22.289 24.739 1.00 8.52 C ATOM 343 O PHE A 46 22.979 23.456 25.000 1.00 7.59 O ATOM 344 CB PHE A 46 22.936 21.669 22.340 1.00 7.93 C ATOM 345 CG PHE A 46 22.370 20.688 21.361 1.00 8.80 C ATOM 346 CD1 PHE A 46 22.972 19.447 21.196 1.00 9.02 C ATOM 347 CD2 PHE A 46 21.217 21.019 20.634 1.00 9.06 C ATOM 348 CE1 PHE A 46 22.461 18.522 20.284 1.00 9.65 C ATOM 349 CE2 PHE A 46 20.677 20.101 19.713 1.00 9.08 C ATOM 350 CZ PHE A 46 21.308 18.862 19.553 1.00 9.41 C ATOM 0 H PHE A 46 20.786 22.295 23.707 1.00 8.43 H new ATOM 0 HA PHE A 46 22.742 20.448 23.921 1.00 8.26 H new ATOM 0 HB2 PHE A 46 22.642 22.562 22.100 1.00 7.93 H new ATOM 0 HB3 PHE A 46 23.904 21.662 22.272 1.00 7.93 H new ATOM 0 HD1 PHE A 46 23.724 19.230 21.699 1.00 9.02 H new ATOM 0 HD2 PHE A 46 20.809 21.845 20.760 1.00 9.06 H new ATOM 0 HE1 PHE A 46 22.874 17.698 20.162 1.00 9.65 H new ATOM 0 HE2 PHE A 46 19.917 20.314 19.221 1.00 9.08 H new ATOM 0 HZ PHE A 46 20.957 18.249 18.949 1.00 9.41 H new ATOM 351 N VAL A 47 24.420 21.695 25.231 1.00 8.64 N ATOM 352 CA VAL A 47 25.339 22.378 26.163 1.00 9.05 C ATOM 353 C VAL A 47 26.660 22.691 25.451 1.00 9.71 C ATOM 354 O VAL A 47 27.282 21.785 24.857 1.00 9.48 O ATOM 355 CB VAL A 47 25.581 21.559 27.448 1.00 9.10 C ATOM 356 CG1 VAL A 47 26.431 22.381 28.422 1.00 9.18 C ATOM 357 CG2 VAL A 47 24.270 21.112 28.099 1.00 9.12 C ATOM 0 H VAL A 47 24.651 20.890 25.038 1.00 8.64 H new ATOM 0 HA VAL A 47 24.922 23.209 26.440 1.00 9.05 H new ATOM 0 HB VAL A 47 26.060 20.750 27.210 1.00 9.10 H new ATOM 0 HG11 VAL A 47 26.584 21.868 29.231 1.00 9.18 H new ATOM 0 HG12 VAL A 47 27.282 22.594 28.009 1.00 9.18 H new ATOM 0 HG13 VAL A 47 25.965 23.202 28.644 1.00 9.18 H new ATOM 0 HG21 VAL A 47 24.464 20.602 28.901 1.00 9.12 H new ATOM 0 HG22 VAL A 47 23.742 21.892 28.332 1.00 9.12 H new ATOM 0 HG23 VAL A 47 23.772 20.559 27.477 1.00 9.12 H new ATOM 358 N HIS A 48 27.064 23.944 25.498 1.00 9.86 N ATOM 359 CA HIS A 48 28.299 24.392 24.851 1.00 11.21 C ATOM 360 C HIS A 48 29.468 24.493 25.810 1.00 11.97 C ATOM 361 O HIS A 48 30.011 25.630 25.980 1.00 13.46 O ATOM 362 CB HIS A 48 28.070 25.772 24.206 1.00 11.42 C ATOM 363 CG HIS A 48 26.910 25.723 23.252 1.00 12.12 C ATOM 364 ND1 HIS A 48 26.983 25.188 21.988 1.00 12.51 N ATOM 365 CD2 HIS A 48 25.655 26.194 23.401 1.00 12.24 C ATOM 366 CE1 HIS A 48 25.803 25.321 21.412 1.00 13.10 C ATOM 367 NE2 HIS A 48 24.992 25.927 22.234 1.00 12.48 N ATOM 0 H HIS A 48 26.634 24.568 25.905 1.00 9.86 H new ATOM 0 HA HIS A 48 28.523 23.724 24.184 1.00 11.21 H new ATOM 0 HB2 HIS A 48 27.901 26.433 24.896 1.00 11.42 H new ATOM 0 HB3 HIS A 48 28.871 26.052 23.735 1.00 11.42 H new ATOM 0 HD2 HIS A 48 25.307 26.618 24.152 1.00 12.24 H new ATOM 0 HE1 HIS A 48 25.585 25.029 20.556 1.00 13.10 H new ATOM 0 HE2 HIS A 48 24.172 26.127 22.069 1.00 12.48 H new ATOM 368 N GLU A 49 29.837 23.440 26.479 1.00 11.99 N ATOM 369 CA GLU A 49 30.971 23.483 27.440 1.00 11.78 C ATOM 370 C GLU A 49 31.735 22.198 27.153 1.00 11.40 C ATOM 371 O GLU A 49 31.165 21.343 26.451 1.00 11.44 O ATOM 372 CB GLU A 49 30.566 23.612 28.885 1.00 12.25 C ATOM 373 CG GLU A 49 29.626 24.708 29.355 1.00 13.12 C ATOM 374 CD GLU A 49 30.141 26.117 29.272 1.00 14.70 C ATOM 375 OE1 GLU A 49 31.401 26.162 29.193 1.00 15.48 O ATOM 376 OE2 GLU A 49 29.436 27.120 29.262 1.00 14.99 O ATOM 0 H GLU A 49 29.459 22.671 26.410 1.00 11.99 H new ATOM 0 HA GLU A 49 31.508 24.281 27.314 1.00 11.78 H new ATOM 0 HB2 GLU A 49 30.163 22.767 29.140 1.00 12.25 H new ATOM 0 HB3 GLU A 49 31.384 23.703 29.399 1.00 12.25 H new ATOM 0 HG2 GLU A 49 28.810 24.652 28.833 1.00 13.12 H new ATOM 0 HG3 GLU A 49 29.386 24.527 30.277 1.00 13.12 H new ATOM 377 N SER A 50 32.952 22.111 27.650 1.00 11.16 N ATOM 378 CA SER A 50 33.774 20.911 27.439 1.00 10.84 C ATOM 379 C SER A 50 33.087 19.715 28.082 1.00 10.85 C ATOM 380 O SER A 50 32.341 19.882 29.065 1.00 10.97 O ATOM 381 CB SER A 50 35.156 21.115 28.016 1.00 10.63 C ATOM 382 OG SER A 50 35.086 21.091 29.432 1.00 10.23 O ATOM 0 H SER A 50 33.331 22.729 28.113 1.00 11.16 H new ATOM 0 HA SER A 50 33.871 20.745 26.488 1.00 10.84 H new ATOM 0 HB2 SER A 50 35.755 20.420 27.700 1.00 10.63 H new ATOM 0 HB3 SER A 50 35.521 21.962 27.715 1.00 10.63 H new ATOM 0 HG SER A 50 35.854 21.203 29.753 1.00 10.23 H new ATOM 383 N LEU A 51 33.325 18.520 27.587 1.00 10.97 N ATOM 384 CA LEU A 51 32.754 17.313 28.172 1.00 10.94 C ATOM 385 C LEU A 51 33.196 17.234 29.634 1.00 10.68 C ATOM 386 O LEU A 51 32.399 16.868 30.527 1.00 10.76 O ATOM 387 CB LEU A 51 33.152 16.084 27.330 1.00 11.68 C ATOM 388 CG LEU A 51 32.625 14.737 27.807 1.00 12.09 C ATOM 389 CD1 LEU A 51 31.092 14.726 27.798 1.00 12.38 C ATOM 390 CD2 LEU A 51 33.185 13.657 26.860 1.00 12.22 C ATOM 0 H LEU A 51 33.823 18.378 26.900 1.00 10.97 H new ATOM 0 HA LEU A 51 31.784 17.334 28.163 1.00 10.94 H new ATOM 0 HB2 LEU A 51 32.845 16.226 26.421 1.00 11.68 H new ATOM 0 HB3 LEU A 51 34.120 16.038 27.298 1.00 11.68 H new ATOM 0 HG LEU A 51 32.909 14.564 28.718 1.00 12.09 H new ATOM 0 HD11 LEU A 51 30.773 13.863 28.104 1.00 12.38 H new ATOM 0 HD12 LEU A 51 30.760 15.421 28.388 1.00 12.38 H new ATOM 0 HD13 LEU A 51 30.772 14.888 26.897 1.00 12.38 H new ATOM 0 HD21 LEU A 51 32.866 12.785 27.139 1.00 12.22 H new ATOM 0 HD22 LEU A 51 32.888 13.835 25.954 1.00 12.22 H new ATOM 0 HD23 LEU A 51 34.154 13.671 26.890 1.00 12.22 H new ATOM 391 N ALA A 52 34.459 17.541 29.891 1.00 10.54 N ATOM 392 CA ALA A 52 34.993 17.495 31.270 1.00 10.16 C ATOM 393 C ALA A 52 34.190 18.363 32.244 1.00 10.17 C ATOM 394 O ALA A 52 33.915 17.933 33.384 1.00 9.69 O ATOM 395 CB ALA A 52 36.450 17.937 31.340 1.00 10.43 C ATOM 0 H ALA A 52 35.030 17.779 29.293 1.00 10.54 H new ATOM 0 HA ALA A 52 34.919 16.564 31.533 1.00 10.16 H new ATOM 0 HB1 ALA A 52 36.758 17.892 32.259 1.00 10.43 H new ATOM 0 HB2 ALA A 52 36.993 17.352 30.788 1.00 10.43 H new ATOM 0 HB3 ALA A 52 36.528 18.849 31.018 1.00 10.43 H new ATOM 396 N ASP A 53 33.823 19.550 31.785 1.00 10.27 N ATOM 397 CA ASP A 53 33.071 20.505 32.622 1.00 10.42 C ATOM 398 C ASP A 53 31.661 19.991 32.911 1.00 9.92 C ATOM 399 O ASP A 53 31.105 20.258 34.005 1.00 10.66 O ATOM 400 CB ASP A 53 33.081 21.886 31.965 1.00 11.70 C ATOM 401 CG ASP A 53 34.337 22.683 32.254 1.00 13.37 C ATOM 402 OD1 ASP A 53 35.297 22.204 32.861 1.00 13.88 O ATOM 403 OD2 ASP A 53 34.390 23.876 31.871 1.00 14.60 O ATOM 0 H ASP A 53 33.995 19.832 30.991 1.00 10.27 H new ATOM 0 HA ASP A 53 33.505 20.591 33.485 1.00 10.42 H new ATOM 0 HB2 ASP A 53 32.987 21.781 31.005 1.00 11.70 H new ATOM 0 HB3 ASP A 53 32.310 22.388 32.272 1.00 11.70 H new ATOM 404 N VAL A 54 31.078 19.289 31.959 1.00 9.56 N ATOM 405 CA VAL A 54 29.706 18.756 32.170 1.00 8.65 C ATOM 406 C VAL A 54 29.821 17.545 33.086 1.00 8.82 C ATOM 407 O VAL A 54 28.989 17.361 33.987 1.00 8.32 O ATOM 408 CB VAL A 54 29.012 18.545 30.800 1.00 8.52 C ATOM 409 CG1 VAL A 54 27.640 17.868 30.994 1.00 8.43 C ATOM 410 CG2 VAL A 54 28.831 19.859 30.038 1.00 7.84 C ATOM 0 H VAL A 54 31.431 19.103 31.197 1.00 9.56 H new ATOM 0 HA VAL A 54 29.113 19.373 32.627 1.00 8.65 H new ATOM 0 HB VAL A 54 29.590 17.972 30.273 1.00 8.52 H new ATOM 0 HG11 VAL A 54 27.216 17.742 30.131 1.00 8.43 H new ATOM 0 HG12 VAL A 54 27.762 17.007 31.423 1.00 8.43 H new ATOM 0 HG13 VAL A 54 27.078 18.429 31.550 1.00 8.43 H new ATOM 0 HG21 VAL A 54 28.395 19.684 29.189 1.00 7.84 H new ATOM 0 HG22 VAL A 54 28.285 20.465 30.563 1.00 7.84 H new ATOM 0 HG23 VAL A 54 29.698 20.263 29.878 1.00 7.84 H new ATOM 411 N GLN A 55 30.815 16.711 32.835 1.00 8.73 N ATOM 412 CA GLN A 55 31.022 15.514 33.666 1.00 9.58 C ATOM 413 C GLN A 55 31.278 15.980 35.092 1.00 9.53 C ATOM 414 O GLN A 55 30.754 15.270 35.990 1.00 10.07 O ATOM 415 CB GLN A 55 32.143 14.593 33.152 1.00 10.53 C ATOM 416 CG GLN A 55 31.695 13.782 31.941 1.00 11.28 C ATOM 417 CD GLN A 55 32.846 13.037 31.291 1.00 12.74 C ATOM 418 OE1 GLN A 55 32.691 12.113 30.470 1.00 13.43 O ATOM 419 NE2 GLN A 55 34.028 13.492 31.657 1.00 12.65 N ATOM 0 H GLN A 55 31.382 16.809 32.196 1.00 8.73 H new ATOM 0 HA GLN A 55 30.224 14.964 33.625 1.00 9.58 H new ATOM 0 HB2 GLN A 55 32.918 15.127 32.916 1.00 10.53 H new ATOM 0 HB3 GLN A 55 32.418 13.991 33.861 1.00 10.53 H new ATOM 0 HG2 GLN A 55 31.014 13.147 32.213 1.00 11.28 H new ATOM 0 HG3 GLN A 55 31.287 14.374 31.290 1.00 11.28 H new ATOM 0 HE21 GLN A 55 34.084 14.133 32.228 1.00 12.65 H new ATOM 0 HE22 GLN A 55 34.743 13.148 31.325 1.00 12.65 H new ATOM 420 N ALA A 56 31.977 17.069 35.322 1.00 9.79 N ATOM 421 CA ALA A 56 32.284 17.570 36.680 1.00 9.74 C ATOM 422 C ALA A 56 31.034 17.927 37.475 1.00 9.92 C ATOM 423 O ALA A 56 31.113 17.952 38.715 1.00 9.96 O ATOM 424 CB ALA A 56 33.213 18.785 36.654 1.00 9.57 C ATOM 0 H ALA A 56 32.300 17.559 34.694 1.00 9.79 H new ATOM 0 HA ALA A 56 32.733 16.832 37.122 1.00 9.74 H new ATOM 0 HB1 ALA A 56 33.387 19.079 37.562 1.00 9.57 H new ATOM 0 HB2 ALA A 56 34.050 18.544 36.227 1.00 9.57 H new ATOM 0 HB3 ALA A 56 32.792 19.504 36.157 1.00 9.57 H new ATOM 425 N VAL A 57 29.909 18.147 36.826 1.00 9.64 N ATOM 426 CA VAL A 57 28.652 18.473 37.543 1.00 9.12 C ATOM 427 C VAL A 57 28.226 17.330 38.451 1.00 9.10 C ATOM 428 O VAL A 57 27.526 17.613 39.440 1.00 9.19 O ATOM 429 CB VAL A 57 27.562 18.910 36.509 1.00 8.21 C ATOM 430 CG1 VAL A 57 26.221 19.227 37.187 1.00 8.56 C ATOM 431 CG2 VAL A 57 28.007 20.172 35.793 1.00 7.77 C ATOM 0 H VAL A 57 29.833 18.117 35.970 1.00 9.64 H new ATOM 0 HA VAL A 57 28.793 19.226 38.138 1.00 9.12 H new ATOM 0 HB VAL A 57 27.448 18.169 35.893 1.00 8.21 H new ATOM 0 HG11 VAL A 57 25.574 19.493 36.515 1.00 8.56 H new ATOM 0 HG12 VAL A 57 25.899 18.439 37.652 1.00 8.56 H new ATOM 0 HG13 VAL A 57 26.342 19.950 37.823 1.00 8.56 H new ATOM 0 HG21 VAL A 57 27.328 20.438 35.154 1.00 7.77 H new ATOM 0 HG22 VAL A 57 28.137 20.883 36.440 1.00 7.77 H new ATOM 0 HG23 VAL A 57 28.841 20.003 35.327 1.00 7.77 H new ATOM 432 N CYS A 58 28.540 16.088 38.160 1.00 9.26 N ATOM 433 CA CYS A 58 28.140 14.947 39.002 1.00 9.97 C ATOM 434 C CYS A 58 28.764 15.006 40.409 1.00 10.10 C ATOM 435 O CYS A 58 28.414 14.161 41.245 1.00 9.92 O ATOM 436 CB CYS A 58 28.479 13.618 38.331 1.00 10.54 C ATOM 437 SG CYS A 58 27.553 13.357 36.784 1.00 11.34 S ATOM 0 H CYS A 58 28.995 15.865 37.465 1.00 9.26 H new ATOM 0 HA CYS A 58 27.178 15.009 39.106 1.00 9.97 H new ATOM 0 HB2 CYS A 58 29.430 13.588 38.143 1.00 10.54 H new ATOM 0 HB3 CYS A 58 28.288 12.892 38.945 1.00 10.54 H new ATOM 438 N SER A 59 29.633 15.950 40.646 1.00 10.35 N ATOM 439 CA SER A 59 30.248 16.089 41.992 1.00 11.67 C ATOM 440 C SER A 59 29.865 17.458 42.561 1.00 11.63 C ATOM 441 O SER A 59 30.488 17.861 43.567 1.00 12.83 O ATOM 442 CB SER A 59 31.757 15.936 42.042 1.00 11.56 C ATOM 443 OG ASER A 59 32.303 14.776 41.497 0.50 11.34 O ATOM 444 OG BSER A 59 32.384 16.753 41.075 0.50 11.61 O ATOM 0 H SER A 59 29.896 16.528 40.066 1.00 10.35 H new ATOM 0 HA SER A 59 29.900 15.353 42.519 1.00 11.67 H new ATOM 0 HB2ASER A 59 32.150 16.696 41.585 0.50 11.56 H new ATOM 0 HB2BSER A 59 32.080 16.171 42.926 0.50 11.56 H new ATOM 0 HB3ASER A 59 32.033 15.989 42.970 0.50 11.56 H new ATOM 0 HB3BSER A 59 31.996 15.008 41.890 0.50 11.56 H new ATOM 0 HG ASER A 59 32.273 14.819 40.659 0.50 11.61 H new ATOM 0 HG BSER A 59 31.812 17.023 40.522 0.50 11.61 H new ATOM 445 N GLN A 60 28.881 18.099 41.973 1.00 11.57 N ATOM 446 CA GLN A 60 28.470 19.437 42.460 1.00 11.64 C ATOM 447 C GLN A 60 27.223 19.336 43.338 1.00 12.23 C ATOM 448 O GLN A 60 27.144 18.368 44.127 1.00 12.20 O ATOM 449 CB GLN A 60 28.383 20.360 41.245 1.00 10.94 C ATOM 450 CG GLN A 60 29.814 20.558 40.712 1.00 10.91 C ATOM 451 CD GLN A 60 29.900 21.523 39.564 1.00 11.48 C ATOM 452 OE1 GLN A 60 28.986 22.295 39.217 1.00 11.92 O ATOM 453 NE2 GLN A 60 31.068 21.500 38.914 1.00 10.93 N ATOM 0 H GLN A 60 28.433 17.801 41.302 1.00 11.57 H new ATOM 0 HA GLN A 60 29.120 19.835 43.060 1.00 11.64 H new ATOM 0 HB2 GLN A 60 27.815 19.972 40.561 1.00 10.94 H new ATOM 0 HB3 GLN A 60 27.989 21.212 41.491 1.00 10.94 H new ATOM 0 HG2 GLN A 60 30.379 20.875 41.434 1.00 10.91 H new ATOM 0 HG3 GLN A 60 30.168 19.700 40.431 1.00 10.91 H new ATOM 0 HE21 GLN A 60 31.690 20.961 39.165 1.00 10.93 H new ATOM 0 HE22 GLN A 60 31.198 22.024 38.244 1.00 10.93 H new ATOM 454 N LYS A 61 26.335 20.302 43.297 1.00 12.51 N ATOM 455 CA LYS A 61 25.168 20.318 44.221 1.00 13.28 C ATOM 456 C LYS A 61 24.114 19.250 44.017 1.00 13.36 C ATOM 457 O LYS A 61 23.404 19.358 43.017 1.00 13.14 O ATOM 458 CB LYS A 61 24.505 21.710 44.121 1.00 13.43 C ATOM 459 CG LYS A 61 23.439 21.900 45.229 1.00 14.60 C ATOM 460 CD LYS A 61 24.173 22.115 46.563 1.00 14.81 C ATOM 461 CE LYS A 61 23.290 22.588 47.703 1.00 15.31 C ATOM 462 NZ LYS A 61 24.144 23.032 48.857 1.00 14.70 N ATOM 0 H LYS A 61 26.369 20.966 42.752 1.00 12.51 H new ATOM 0 HA LYS A 61 25.533 20.120 45.098 1.00 13.28 H new ATOM 0 HB2 LYS A 61 25.182 22.400 44.198 1.00 13.43 H new ATOM 0 HB3 LYS A 61 24.092 21.813 43.249 1.00 13.43 H new ATOM 0 HG2 LYS A 61 22.872 22.661 45.027 1.00 14.60 H new ATOM 0 HG3 LYS A 61 22.862 21.122 45.281 1.00 14.60 H new ATOM 0 HD2 LYS A 61 24.597 21.282 46.823 1.00 14.81 H new ATOM 0 HD3 LYS A 61 24.881 22.764 46.428 1.00 14.81 H new ATOM 0 HE2 LYS A 61 22.728 23.320 47.405 1.00 15.31 H new ATOM 0 HE3 LYS A 61 22.699 21.872 47.984 1.00 15.31 H new ATOM 0 HZ1 LYS A 61 23.623 23.309 49.523 1.00 14.70 H new ATOM 0 HZ2 LYS A 61 24.645 22.351 49.136 1.00 14.70 H new ATOM 0 HZ3 LYS A 61 24.671 23.700 48.597 1.00 14.70 H new ATOM 463 N ASN A 62 23.955 18.327 44.930 1.00 13.90 N ATOM 464 CA ASN A 62 22.944 17.244 44.802 1.00 15.07 C ATOM 465 C ASN A 62 21.549 17.785 45.064 1.00 15.43 C ATOM 466 O ASN A 62 21.299 18.427 46.131 1.00 15.51 O ATOM 467 CB ASN A 62 23.356 16.114 45.726 1.00 16.19 C ATOM 468 CG ASN A 62 22.454 14.909 45.750 1.00 17.71 C ATOM 469 OD1 ASN A 62 22.099 14.416 46.844 1.00 19.04 O ATOM 470 ND2 ASN A 62 22.033 14.341 44.618 1.00 17.60 N ATOM 0 H ASN A 62 24.419 18.289 45.653 1.00 13.90 H new ATOM 0 HA ASN A 62 22.910 16.891 43.899 1.00 15.07 H new ATOM 0 HB2 ASN A 62 24.246 15.823 45.473 1.00 16.19 H new ATOM 0 HB3 ASN A 62 23.418 16.466 46.628 1.00 16.19 H new ATOM 0 HD21 ASN A 62 21.526 13.647 44.648 1.00 17.60 H new ATOM 0 HD22 ASN A 62 22.269 14.669 43.859 1.00 17.60 H new ATOM 471 N VAL A 63 20.670 17.571 44.102 1.00 15.24 N ATOM 472 CA VAL A 63 19.263 18.027 44.181 1.00 15.20 C ATOM 473 C VAL A 63 18.334 16.927 43.681 1.00 15.82 C ATOM 474 O VAL A 63 18.809 15.920 43.100 1.00 15.77 O ATOM 475 CB VAL A 63 19.052 19.341 43.409 1.00 15.36 C ATOM 476 CG1 VAL A 63 19.778 20.558 43.955 1.00 14.54 C ATOM 477 CG2 VAL A 63 19.367 19.174 41.911 1.00 14.84 C ATOM 0 H VAL A 63 20.860 17.155 43.373 1.00 15.24 H new ATOM 0 HA VAL A 63 19.049 18.211 45.109 1.00 15.20 H new ATOM 0 HB VAL A 63 18.109 19.526 43.537 1.00 15.36 H new ATOM 0 HG11 VAL A 63 19.580 21.329 43.401 1.00 14.54 H new ATOM 0 HG12 VAL A 63 19.484 20.730 44.863 1.00 14.54 H new ATOM 0 HG13 VAL A 63 20.734 20.394 43.950 1.00 14.54 H new ATOM 0 HG21 VAL A 63 19.224 20.018 41.454 1.00 14.84 H new ATOM 0 HG22 VAL A 63 20.291 18.900 41.803 1.00 14.84 H new ATOM 0 HG23 VAL A 63 18.784 18.498 41.531 1.00 14.84 H new ATOM 478 N ALA A 64 17.022 17.105 43.876 1.00 16.26 N ATOM 479 CA ALA A 64 16.080 16.079 43.375 1.00 16.73 C ATOM 480 C ALA A 64 15.772 16.370 41.904 1.00 17.36 C ATOM 481 O ALA A 64 15.738 17.527 41.436 1.00 17.19 O ATOM 482 CB ALA A 64 14.795 16.008 44.166 1.00 16.89 C ATOM 0 H ALA A 64 16.664 17.777 44.276 1.00 16.26 H new ATOM 0 HA ALA A 64 16.509 15.215 43.477 1.00 16.73 H new ATOM 0 HB1 ALA A 64 14.222 15.321 43.791 1.00 16.89 H new ATOM 0 HB2 ALA A 64 14.995 15.793 45.090 1.00 16.89 H new ATOM 0 HB3 ALA A 64 14.342 16.865 44.125 1.00 16.89 H new ATOM 483 N CYS A 65 15.527 15.300 41.182 1.00 18.06 N ATOM 484 CA CYS A 65 15.160 15.272 39.771 1.00 19.43 C ATOM 485 C CYS A 65 13.669 15.587 39.691 1.00 20.72 C ATOM 486 O CYS A 65 13.036 15.348 40.727 1.00 20.95 O ATOM 487 CB CYS A 65 15.458 13.934 39.107 1.00 18.09 C ATOM 488 SG CYS A 65 17.155 13.324 39.320 1.00 17.08 S ATOM 0 H CYS A 65 15.572 14.511 41.520 1.00 18.06 H new ATOM 0 HA CYS A 65 15.691 15.926 39.291 1.00 19.43 H new ATOM 0 HB2 CYS A 65 14.845 13.271 39.460 1.00 18.09 H new ATOM 0 HB3 CYS A 65 15.275 14.013 38.158 1.00 18.09 H new ATOM 489 N LYS A 66 13.173 16.051 38.577 1.00 22.46 N ATOM 490 CA LYS A 66 11.742 16.366 38.436 1.00 24.67 C ATOM 491 C LYS A 66 10.906 15.112 38.706 1.00 25.42 C ATOM 492 O LYS A 66 9.749 15.177 39.188 1.00 25.77 O ATOM 493 CB LYS A 66 11.429 16.987 37.062 1.00 26.14 C ATOM 494 CG LYS A 66 11.878 18.440 37.045 1.00 28.16 C ATOM 495 CD LYS A 66 11.967 19.193 35.750 1.00 30.06 C ATOM 496 CE LYS A 66 10.682 19.654 35.114 1.00 31.58 C ATOM 497 NZ LYS A 66 10.858 20.830 34.177 1.00 32.69 N ATOM 0 H LYS A 66 13.640 16.199 37.870 1.00 22.46 H new ATOM 0 HA LYS A 66 11.505 17.036 39.096 1.00 24.67 H new ATOM 0 HB2 LYS A 66 11.881 16.491 36.362 1.00 26.14 H new ATOM 0 HB3 LYS A 66 10.478 16.931 36.880 1.00 26.14 H new ATOM 0 HG2 LYS A 66 11.274 18.933 37.622 1.00 28.16 H new ATOM 0 HG3 LYS A 66 12.756 18.474 37.457 1.00 28.16 H new ATOM 0 HD2 LYS A 66 12.523 19.974 35.897 1.00 30.06 H new ATOM 0 HD3 LYS A 66 12.431 18.631 35.110 1.00 30.06 H new ATOM 0 HE2 LYS A 66 10.289 18.915 34.623 1.00 31.58 H new ATOM 0 HE3 LYS A 66 10.054 19.897 35.812 1.00 31.58 H new ATOM 0 HZ1 LYS A 66 10.069 21.057 33.833 1.00 32.69 H new ATOM 0 HZ2 LYS A 66 11.195 21.520 34.627 1.00 32.69 H new ATOM 0 HZ3 LYS A 66 11.414 20.605 33.519 1.00 32.69 H new ATOM 498 N ASN A 67 11.512 13.968 38.420 1.00 26.08 N ATOM 499 CA ASN A 67 10.884 12.650 38.609 1.00 26.40 C ATOM 500 C ASN A 67 10.913 12.179 40.061 1.00 26.46 C ATOM 501 O ASN A 67 10.260 11.135 40.289 1.00 26.98 O ATOM 502 CB ASN A 67 11.560 11.644 37.682 1.00 27.15 C ATOM 503 CG ASN A 67 12.894 11.152 38.183 1.00 27.95 C ATOM 504 OD1 ASN A 67 13.222 11.152 39.374 1.00 28.54 O ATOM 505 ND2 ASN A 67 13.764 10.660 37.293 1.00 28.91 N ATOM 0 H ASN A 67 12.311 13.926 38.106 1.00 26.08 H new ATOM 0 HA ASN A 67 9.944 12.727 38.381 1.00 26.40 H new ATOM 0 HB2 ASN A 67 10.970 10.884 37.559 1.00 27.15 H new ATOM 0 HB3 ASN A 67 11.682 12.052 36.810 1.00 27.15 H new ATOM 0 HD21 ASN A 67 14.524 10.357 37.557 1.00 28.91 H new ATOM 0 HD22 ASN A 67 13.563 10.647 36.457 1.00 28.91 H new ATOM 506 N GLY A 68 11.575 12.814 40.996 1.00 26.22 N ATOM 507 CA GLY A 68 11.593 12.394 42.389 1.00 25.71 C ATOM 508 C GLY A 68 12.816 11.658 42.897 1.00 25.96 C ATOM 509 O GLY A 68 13.009 11.506 44.138 1.00 25.95 O ATOM 0 H GLY A 68 12.041 13.520 40.843 1.00 26.22 H new ATOM 0 HA2 GLY A 68 11.473 13.184 42.939 1.00 25.71 H new ATOM 0 HA3 GLY A 68 10.821 11.825 42.537 1.00 25.71 H new ATOM 510 N GLN A 69 13.655 11.199 41.985 1.00 25.51 N ATOM 511 CA GLN A 69 14.889 10.462 42.311 1.00 25.44 C ATOM 512 C GLN A 69 15.879 11.502 42.848 1.00 24.33 C ATOM 513 O GLN A 69 15.660 12.708 42.592 1.00 24.24 O ATOM 514 CB GLN A 69 15.467 9.685 41.147 1.00 27.56 C ATOM 515 CG GLN A 69 14.677 8.580 40.475 1.00 29.75 C ATOM 516 CD GLN A 69 15.462 7.973 39.321 1.00 31.59 C ATOM 517 OE1 GLN A 69 14.993 7.606 38.228 1.00 32.70 O ATOM 518 NE2 GLN A 69 16.789 7.874 39.511 1.00 32.23 N ATOM 0 H GLN A 69 13.531 11.303 41.140 1.00 25.51 H new ATOM 0 HA GLN A 69 14.693 9.777 42.969 1.00 25.44 H new ATOM 0 HB2 GLN A 69 15.693 10.331 40.459 1.00 27.56 H new ATOM 0 HB3 GLN A 69 16.300 9.293 41.453 1.00 27.56 H new ATOM 0 HG2 GLN A 69 14.463 7.891 41.123 1.00 29.75 H new ATOM 0 HG3 GLN A 69 13.835 8.933 40.148 1.00 29.75 H new ATOM 0 HE21 GLN A 69 17.136 8.121 40.258 1.00 32.23 H new ATOM 0 HE22 GLN A 69 17.291 7.563 38.886 1.00 32.23 H new ATOM 519 N THR A 70 16.897 11.037 43.536 1.00 23.25 N ATOM 520 CA THR A 70 17.875 12.003 44.090 1.00 22.25 C ATOM 521 C THR A 70 19.296 11.831 43.581 1.00 20.69 C ATOM 522 O THR A 70 20.269 11.998 44.352 1.00 20.33 O ATOM 523 CB THR A 70 17.833 11.968 45.677 1.00 23.15 C ATOM 524 OG1 THR A 70 18.217 10.613 46.021 1.00 23.96 O ATOM 525 CG2 THR A 70 16.514 12.446 46.258 1.00 23.50 C ATOM 0 H THR A 70 17.054 10.207 43.699 1.00 23.25 H new ATOM 0 HA THR A 70 17.599 12.875 43.768 1.00 22.25 H new ATOM 0 HB THR A 70 18.446 12.603 46.080 1.00 23.15 H new ATOM 0 HG1 THR A 70 18.217 10.525 46.856 1.00 23.96 H new ATOM 0 HG21 THR A 70 16.551 12.401 47.226 1.00 23.50 H new ATOM 0 HG22 THR A 70 16.352 13.362 45.983 1.00 23.50 H new ATOM 0 HG23 THR A 70 15.795 11.881 45.936 1.00 23.50 H new ATOM 526 N ASN A 71 19.389 11.492 42.295 1.00 19.36 N ATOM 527 CA ASN A 71 20.735 11.349 41.668 1.00 17.77 C ATOM 528 C ASN A 71 20.938 12.537 40.704 1.00 17.07 C ATOM 529 O ASN A 71 21.717 12.369 39.768 1.00 16.84 O ATOM 530 CB ASN A 71 20.909 9.981 41.031 1.00 17.82 C ATOM 531 CG ASN A 71 19.959 9.731 39.870 1.00 18.07 C ATOM 532 OD1 ASN A 71 18.769 10.075 39.973 1.00 17.86 O ATOM 533 ND2 ASN A 71 20.452 9.159 38.757 1.00 17.71 N ATOM 0 H ASN A 71 18.721 11.343 41.774 1.00 19.36 H new ATOM 0 HA ASN A 71 21.438 11.386 42.336 1.00 17.77 H new ATOM 0 HB2 ASN A 71 21.823 9.891 40.718 1.00 17.82 H new ATOM 0 HB3 ASN A 71 20.772 9.298 41.706 1.00 17.82 H new ATOM 0 HD21 ASN A 71 19.938 9.019 38.082 1.00 17.71 H new ATOM 0 HD22 ASN A 71 21.281 8.934 38.721 1.00 17.71 H new ATOM 534 N CYS A 72 20.294 13.670 40.879 1.00 15.92 N ATOM 535 CA CYS A 72 20.407 14.863 40.062 1.00 14.92 C ATOM 536 C CYS A 72 21.415 15.810 40.717 1.00 14.73 C ATOM 537 O CYS A 72 21.576 15.754 41.951 1.00 14.78 O ATOM 538 CB CYS A 72 19.073 15.568 39.843 1.00 15.57 C ATOM 539 SG CYS A 72 18.256 14.793 38.386 1.00 16.21 S ATOM 0 H CYS A 72 19.737 13.773 41.526 1.00 15.92 H new ATOM 0 HA CYS A 72 20.713 14.594 39.181 1.00 14.92 H new ATOM 0 HB2 CYS A 72 18.512 15.486 40.630 1.00 15.57 H new ATOM 0 HB3 CYS A 72 19.211 16.516 39.691 1.00 15.57 H new ATOM 540 N TYR A 73 22.087 16.621 39.919 1.00 13.66 N ATOM 541 CA TYR A 73 23.086 17.579 40.329 1.00 12.45 C ATOM 542 C TYR A 73 22.968 18.876 39.526 1.00 12.45 C ATOM 543 O TYR A 73 22.854 18.787 38.295 1.00 11.09 O ATOM 544 CB TYR A 73 24.512 17.023 40.151 1.00 13.24 C ATOM 545 CG TYR A 73 24.692 15.808 41.030 1.00 13.51 C ATOM 546 CD1 TYR A 73 24.250 14.565 40.614 1.00 13.89 C ATOM 547 CD2 TYR A 73 25.245 15.942 42.306 1.00 14.22 C ATOM 548 CE1 TYR A 73 24.376 13.442 41.416 1.00 14.69 C ATOM 549 CE2 TYR A 73 25.388 14.822 43.135 1.00 15.21 C ATOM 550 CZ TYR A 73 24.937 13.589 42.674 1.00 15.59 C ATOM 551 OH TYR A 73 25.073 12.467 43.453 1.00 17.65 O ATOM 0 H TYR A 73 21.961 16.624 39.068 1.00 13.66 H new ATOM 0 HA TYR A 73 22.927 17.759 41.269 1.00 12.45 H new ATOM 0 HB2 TYR A 73 24.664 16.788 39.222 1.00 13.24 H new ATOM 0 HB3 TYR A 73 25.165 17.701 40.383 1.00 13.24 H new ATOM 0 HD1 TYR A 73 23.858 14.481 39.775 1.00 13.89 H new ATOM 0 HD2 TYR A 73 25.519 16.778 42.606 1.00 14.22 H new ATOM 0 HE1 TYR A 73 24.091 12.609 41.117 1.00 14.69 H new ATOM 0 HE2 TYR A 73 25.776 14.901 43.976 1.00 15.21 H new ATOM 0 HH TYR A 73 25.023 11.782 42.969 1.00 17.65 H new ATOM 552 N GLN A 74 23.054 19.984 40.247 1.00 11.37 N ATOM 553 CA GLN A 74 22.976 21.305 39.668 1.00 11.74 C ATOM 554 C GLN A 74 24.383 21.895 39.635 1.00 11.38 C ATOM 555 O GLN A 74 25.103 21.799 40.638 1.00 11.26 O ATOM 556 CB GLN A 74 21.982 22.185 40.441 1.00 13.57 C ATOM 557 CG GLN A 74 21.717 23.560 39.836 1.00 14.84 C ATOM 558 CD GLN A 74 20.477 24.212 40.424 1.00 16.10 C ATOM 559 OE1 GLN A 74 20.506 25.420 40.651 1.00 17.10 O ATOM 560 NE2 GLN A 74 19.393 23.489 40.705 1.00 15.80 N ATOM 0 H GLN A 74 23.161 19.985 41.100 1.00 11.37 H new ATOM 0 HA GLN A 74 22.638 21.259 38.760 1.00 11.74 H new ATOM 0 HB2 GLN A 74 21.139 21.711 40.509 1.00 13.57 H new ATOM 0 HB3 GLN A 74 22.314 22.305 41.344 1.00 13.57 H new ATOM 0 HG2 GLN A 74 22.485 24.133 39.988 1.00 14.84 H new ATOM 0 HG3 GLN A 74 21.612 23.475 38.875 1.00 14.84 H new ATOM 0 HE21 GLN A 74 19.385 22.645 40.542 1.00 15.80 H new ATOM 0 HE22 GLN A 74 18.702 23.867 41.050 1.00 15.80 H new ATOM 561 N SER A 75 24.727 22.421 38.486 1.00 10.71 N ATOM 562 CA SER A 75 26.024 23.064 38.223 1.00 10.48 C ATOM 563 C SER A 75 26.135 24.316 39.086 1.00 10.44 C ATOM 564 O SER A 75 25.162 25.104 39.175 1.00 10.42 O ATOM 565 CB SER A 75 26.218 23.419 36.757 1.00 10.43 C ATOM 566 OG SER A 75 25.218 24.287 36.209 1.00 9.31 O ATOM 0 H SER A 75 24.205 22.422 37.803 1.00 10.71 H new ATOM 0 HA SER A 75 26.723 22.430 38.448 1.00 10.48 H new ATOM 0 HB2 SER A 75 27.086 23.840 36.652 1.00 10.43 H new ATOM 0 HB3 SER A 75 26.235 22.599 36.239 1.00 10.43 H new ATOM 0 HG SER A 75 25.515 25.072 36.176 1.00 9.31 H new ATOM 567 N TYR A 76 27.283 24.478 39.725 1.00 10.25 N ATOM 568 CA TYR A 76 27.497 25.661 40.557 1.00 10.42 C ATOM 569 C TYR A 76 27.426 26.947 39.727 1.00 10.50 C ATOM 570 O TYR A 76 26.941 28.015 40.148 1.00 10.60 O ATOM 571 CB TYR A 76 28.855 25.611 41.292 1.00 10.11 C ATOM 572 CG TYR A 76 29.062 24.533 42.320 1.00 10.66 C ATOM 573 CD1 TYR A 76 28.020 24.219 43.192 1.00 10.71 C ATOM 574 CD2 TYR A 76 30.265 23.844 42.474 1.00 10.72 C ATOM 575 CE1 TYR A 76 28.159 23.253 44.182 1.00 11.17 C ATOM 576 CE2 TYR A 76 30.411 22.863 43.453 1.00 11.40 C ATOM 577 CZ TYR A 76 29.377 22.585 44.318 1.00 11.13 C ATOM 578 OH TYR A 76 29.513 21.626 45.300 1.00 11.80 O ATOM 0 H TYR A 76 27.943 23.928 39.695 1.00 10.25 H new ATOM 0 HA TYR A 76 26.785 25.663 41.216 1.00 10.42 H new ATOM 0 HB2 TYR A 76 29.552 25.522 40.623 1.00 10.11 H new ATOM 0 HB3 TYR A 76 28.989 26.467 41.728 1.00 10.11 H new ATOM 0 HD1 TYR A 76 27.210 24.668 43.109 1.00 10.71 H new ATOM 0 HD2 TYR A 76 30.981 24.042 41.915 1.00 10.72 H new ATOM 0 HE1 TYR A 76 27.448 23.054 44.748 1.00 11.17 H new ATOM 0 HE2 TYR A 76 31.211 22.394 43.522 1.00 11.40 H new ATOM 0 HH TYR A 76 28.769 21.264 45.443 1.00 11.80 H new ATOM 579 N SER A 77 28.002 26.849 38.525 1.00 10.26 N ATOM 580 CA SER A 77 28.091 28.016 37.641 1.00 11.09 C ATOM 581 C SER A 77 27.118 27.924 36.472 1.00 10.76 C ATOM 582 O SER A 77 26.591 26.825 36.255 1.00 10.63 O ATOM 583 CB SER A 77 29.578 28.152 37.234 1.00 11.22 C ATOM 584 OG ASER A 77 29.782 29.405 36.612 0.40 12.10 O ATOM 585 OG BSER A 77 29.839 27.337 36.104 0.60 11.94 O ATOM 0 H SER A 77 28.343 26.127 38.206 1.00 10.26 H new ATOM 0 HA SER A 77 27.814 28.828 38.093 1.00 11.09 H new ATOM 0 HB2ASER A 77 30.146 28.072 38.016 0.40 11.22 H new ATOM 0 HB2BSER A 77 29.784 29.078 37.031 0.60 11.22 H new ATOM 0 HB3ASER A 77 29.825 27.435 36.629 0.40 11.22 H new ATOM 0 HB3BSER A 77 30.150 27.890 37.972 0.60 11.22 H new ATOM 0 HG ASER A 77 30.589 29.481 36.392 0.40 11.94 H new ATOM 0 HG BSER A 77 30.063 27.821 35.455 0.60 11.94 H new ATOM 586 N THR A 78 26.889 29.054 35.810 1.00 10.64 N ATOM 587 CA THR A 78 25.997 29.025 34.637 1.00 10.62 C ATOM 588 C THR A 78 26.825 28.509 33.472 1.00 10.62 C ATOM 589 O THR A 78 28.063 28.614 33.480 1.00 10.36 O ATOM 590 CB THR A 78 25.301 30.390 34.296 1.00 11.40 C ATOM 591 OG1 THR A 78 26.458 31.257 34.017 1.00 12.01 O ATOM 592 CG2 THR A 78 24.485 30.989 35.457 1.00 11.91 C ATOM 0 H THR A 78 27.222 29.822 36.007 1.00 10.64 H new ATOM 0 HA THR A 78 25.248 28.442 34.836 1.00 10.62 H new ATOM 0 HB THR A 78 24.658 30.291 33.577 1.00 11.40 H new ATOM 0 HG1 THR A 78 26.409 31.545 33.230 1.00 12.01 H new ATOM 0 HG21 THR A 78 24.086 31.827 35.174 1.00 11.91 H new ATOM 0 HG22 THR A 78 23.785 30.369 35.714 1.00 11.91 H new ATOM 0 HG23 THR A 78 25.069 31.149 36.215 1.00 11.91 H new ATOM 593 N MET A 79 26.174 27.933 32.483 1.00 10.60 N ATOM 594 CA MET A 79 26.769 27.353 31.272 1.00 10.05 C ATOM 595 C MET A 79 26.034 27.833 30.005 1.00 10.17 C ATOM 596 O MET A 79 24.827 28.149 30.099 1.00 10.15 O ATOM 597 CB MET A 79 26.764 25.835 31.356 1.00 10.29 C ATOM 598 CG MET A 79 27.697 25.318 32.422 1.00 11.01 C ATOM 599 SD MET A 79 27.677 23.483 32.361 1.00 12.89 S ATOM 600 CE MET A 79 28.920 23.178 33.638 1.00 13.14 C ATOM 0 H MET A 79 25.317 27.860 32.491 1.00 10.60 H new ATOM 0 HA MET A 79 27.688 27.656 31.212 1.00 10.05 H new ATOM 0 HB2 MET A 79 25.863 25.526 31.540 1.00 10.29 H new ATOM 0 HB3 MET A 79 27.021 25.465 30.497 1.00 10.29 H new ATOM 0 HG2 MET A 79 28.596 25.652 32.275 1.00 11.01 H new ATOM 0 HG3 MET A 79 27.418 25.630 33.297 1.00 11.01 H new ATOM 0 HE1 MET A 79 29.480 22.432 33.373 1.00 13.14 H new ATOM 0 HE2 MET A 79 29.469 23.970 33.751 1.00 13.14 H new ATOM 0 HE3 MET A 79 28.479 22.968 34.476 1.00 13.14 H new ATOM 601 N SER A 80 26.752 27.851 28.910 1.00 9.55 N ATOM 602 CA SER A 80 26.184 28.235 27.604 1.00 9.94 C ATOM 603 C SER A 80 25.328 27.072 27.095 1.00 9.74 C ATOM 604 O SER A 80 25.827 25.948 26.949 1.00 9.52 O ATOM 605 CB SER A 80 27.281 28.657 26.617 1.00 9.16 C ATOM 606 OG SER A 80 26.667 28.864 25.363 1.00 9.43 O ATOM 0 H SER A 80 27.586 27.644 28.884 1.00 9.55 H new ATOM 0 HA SER A 80 25.617 29.016 27.698 1.00 9.94 H new ATOM 0 HB2 SER A 80 27.719 29.467 26.920 1.00 9.16 H new ATOM 0 HB3 SER A 80 27.965 27.972 26.553 1.00 9.16 H new ATOM 0 HG SER A 80 27.253 29.057 24.792 1.00 9.43 H new ATOM 607 N ILE A 81 24.037 27.299 26.850 1.00 9.71 N ATOM 608 CA ILE A 81 23.129 26.256 26.383 1.00 9.68 C ATOM 609 C ILE A 81 22.235 26.803 25.263 1.00 9.62 C ATOM 610 O ILE A 81 22.141 28.045 25.127 1.00 9.76 O ATOM 611 CB ILE A 81 22.252 25.630 27.531 1.00 9.99 C ATOM 612 CG1 ILE A 81 21.232 26.735 27.914 1.00 10.82 C ATOM 613 CG2 ILE A 81 23.115 25.219 28.761 1.00 9.75 C ATOM 614 CD1 ILE A 81 20.119 26.267 28.846 1.00 13.19 C ATOM 0 H ILE A 81 23.663 28.067 26.951 1.00 9.71 H new ATOM 0 HA ILE A 81 23.682 25.536 26.042 1.00 9.68 H new ATOM 0 HB ILE A 81 21.815 24.816 27.235 1.00 9.99 H new ATOM 0 HG12 ILE A 81 21.708 27.467 28.337 1.00 10.82 H new ATOM 0 HG13 ILE A 81 20.833 27.088 27.103 1.00 10.82 H new ATOM 0 HG21 ILE A 81 22.543 24.839 29.446 1.00 9.75 H new ATOM 0 HG22 ILE A 81 23.774 24.561 28.489 1.00 9.75 H new ATOM 0 HG23 ILE A 81 23.567 26.001 29.116 1.00 9.75 H new ATOM 0 HD11 ILE A 81 19.525 27.009 29.039 1.00 13.19 H new ATOM 0 HD12 ILE A 81 19.618 25.554 28.420 1.00 13.19 H new ATOM 0 HD13 ILE A 81 20.506 25.939 29.673 1.00 13.19 H new ATOM 615 N THR A 82 21.641 25.881 24.537 1.00 9.12 N ATOM 616 CA THR A 82 20.712 26.279 23.462 1.00 9.40 C ATOM 617 C THR A 82 19.494 25.378 23.601 1.00 9.25 C ATOM 618 O THR A 82 19.719 24.149 23.522 1.00 8.66 O ATOM 619 CB THR A 82 21.268 26.225 21.997 1.00 9.05 C ATOM 620 OG1 THR A 82 22.490 26.996 21.935 1.00 8.86 O ATOM 621 CG2 THR A 82 20.216 26.655 20.956 1.00 9.90 C ATOM 0 H THR A 82 21.748 25.033 24.635 1.00 9.12 H new ATOM 0 HA THR A 82 20.519 27.222 23.582 1.00 9.40 H new ATOM 0 HB THR A 82 21.476 25.307 21.763 1.00 9.05 H new ATOM 0 HG1 THR A 82 22.359 27.756 22.269 1.00 8.86 H new ATOM 0 HG21 THR A 82 20.601 26.607 20.067 1.00 9.90 H new ATOM 0 HG22 THR A 82 19.449 26.064 21.008 1.00 9.90 H new ATOM 0 HG23 THR A 82 19.935 27.566 21.137 1.00 9.90 H new ATOM 622 N ASP A 83 18.338 25.947 23.779 1.00 9.75 N ATOM 623 CA ASP A 83 17.120 25.128 23.857 1.00 10.91 C ATOM 624 C ASP A 83 16.566 25.019 22.427 1.00 10.72 C ATOM 625 O ASP A 83 16.408 26.054 21.749 1.00 10.83 O ATOM 626 CB ASP A 83 16.101 25.669 24.854 1.00 13.89 C ATOM 627 CG ASP A 83 15.009 24.614 25.107 1.00 16.15 C ATOM 628 OD1 ASP A 83 15.204 23.373 25.191 1.00 17.73 O ATOM 629 OD2 ASP A 83 13.842 25.026 25.195 1.00 17.33 O ATOM 0 H ASP A 83 18.215 26.794 23.859 1.00 9.75 H new ATOM 0 HA ASP A 83 17.330 24.246 24.202 1.00 10.91 H new ATOM 0 HB2 ASP A 83 16.541 25.897 25.688 1.00 13.89 H new ATOM 0 HB3 ASP A 83 15.702 26.484 24.511 1.00 13.89 H new ATOM 630 N CYS A 84 16.273 23.809 22.010 1.00 10.87 N ATOM 631 CA CYS A 84 15.695 23.476 20.682 1.00 11.51 C ATOM 632 C CYS A 84 14.251 22.975 20.902 1.00 12.31 C ATOM 633 O CYS A 84 14.100 21.959 21.614 1.00 11.82 O ATOM 634 CB CYS A 84 16.481 22.455 19.874 1.00 10.43 C ATOM 635 SG CYS A 84 18.157 23.039 19.531 1.00 9.77 S ATOM 0 H CYS A 84 16.403 23.113 22.499 1.00 10.87 H new ATOM 0 HA CYS A 84 15.726 24.287 20.151 1.00 11.51 H new ATOM 0 HB2 CYS A 84 16.521 21.617 20.360 1.00 10.43 H new ATOM 0 HB3 CYS A 84 16.021 22.277 19.039 1.00 10.43 H new ATOM 636 N ARG A 85 13.293 23.679 20.323 1.00 13.00 N ATOM 637 CA ARG A 85 11.892 23.299 20.483 1.00 14.90 C ATOM 638 C ARG A 85 11.114 23.369 19.154 1.00 15.67 C ATOM 639 O ARG A 85 11.213 24.386 18.454 1.00 15.51 O ATOM 640 CB ARG A 85 11.083 24.158 21.480 1.00 15.64 C ATOM 641 CG ARG A 85 11.583 24.109 22.909 1.00 17.76 C ATOM 642 CD ARG A 85 10.455 24.426 23.871 1.00 18.63 C ATOM 643 NE ARG A 85 10.848 23.984 25.208 1.00 19.10 N ATOM 644 CZ ARG A 85 10.039 23.354 26.057 1.00 19.18 C ATOM 645 NH1 ARG A 85 8.790 23.003 25.832 1.00 18.42 N ATOM 646 NH2 ARG A 85 10.537 23.011 27.257 1.00 19.68 N ATOM 0 H ARG A 85 13.426 24.375 19.836 1.00 13.00 H new ATOM 0 HA ARG A 85 11.965 22.394 20.826 1.00 14.90 H new ATOM 0 HB2 ARG A 85 11.095 25.080 21.178 1.00 15.64 H new ATOM 0 HB3 ARG A 85 10.158 23.866 21.464 1.00 15.64 H new ATOM 0 HG2 ARG A 85 11.944 23.230 23.102 1.00 17.76 H new ATOM 0 HG3 ARG A 85 12.306 24.745 23.027 1.00 17.76 H new ATOM 0 HD2 ARG A 85 10.270 25.378 23.872 1.00 18.63 H new ATOM 0 HD3 ARG A 85 9.640 23.979 23.594 1.00 18.63 H new ATOM 0 HE ARG A 85 11.654 24.141 25.463 1.00 19.10 H new ATOM 0 HH11 ARG A 85 8.423 23.180 25.074 1.00 18.42 H new ATOM 0 HH12 ARG A 85 8.341 22.597 26.443 1.00 18.42 H new ATOM 0 HH21 ARG A 85 11.353 23.200 27.454 1.00 19.68 H new ATOM 0 HH22 ARG A 85 10.040 22.603 27.828 1.00 19.68 H new ATOM 647 N GLU A 86 10.346 22.334 18.892 1.00 16.74 N ATOM 648 CA GLU A 86 9.532 22.264 17.694 1.00 18.78 C ATOM 649 C GLU A 86 8.553 23.433 17.704 1.00 19.71 C ATOM 650 O GLU A 86 8.032 23.702 18.793 1.00 19.21 O ATOM 651 CB GLU A 86 8.641 21.045 17.530 1.00 19.78 C ATOM 652 CG GLU A 86 9.223 19.800 16.883 1.00 21.34 C ATOM 653 CD GLU A 86 8.131 18.787 16.574 1.00 21.78 C ATOM 654 OE1 GLU A 86 7.541 18.507 17.629 1.00 22.44 O ATOM 655 OE2 GLU A 86 7.902 18.358 15.473 1.00 21.41 O ATOM 0 H GLU A 86 10.279 21.647 19.405 1.00 16.74 H new ATOM 0 HA GLU A 86 10.189 22.252 16.980 1.00 18.78 H new ATOM 0 HB2 GLU A 86 8.318 20.796 18.410 1.00 19.78 H new ATOM 0 HB3 GLU A 86 7.868 21.313 17.009 1.00 19.78 H new ATOM 0 HG2 GLU A 86 9.685 20.042 16.065 1.00 21.34 H new ATOM 0 HG3 GLU A 86 9.881 19.402 17.474 1.00 21.34 H new ATOM 656 N THR A 87 8.349 24.021 16.556 1.00 21.16 N ATOM 657 CA THR A 87 7.411 25.137 16.409 1.00 23.44 C ATOM 658 C THR A 87 6.033 24.585 16.182 1.00 24.78 C ATOM 659 O THR A 87 5.946 23.452 15.673 1.00 25.23 O ATOM 660 CB THR A 87 7.862 26.094 15.246 1.00 23.50 C ATOM 661 OG1 THR A 87 7.804 25.115 14.142 1.00 23.92 O ATOM 662 CG2 THR A 87 9.304 26.587 15.461 1.00 23.87 C ATOM 0 H THR A 87 8.745 23.795 15.827 1.00 21.16 H new ATOM 0 HA THR A 87 7.401 25.670 17.219 1.00 23.44 H new ATOM 0 HB THR A 87 7.341 26.905 15.134 1.00 23.50 H new ATOM 0 HG1 THR A 87 8.025 25.489 13.423 1.00 23.92 H new ATOM 0 HG21 THR A 87 9.558 27.174 14.732 1.00 23.87 H new ATOM 0 HG22 THR A 87 9.359 27.071 16.300 1.00 23.87 H new ATOM 0 HG23 THR A 87 9.906 25.827 15.487 1.00 23.87 H new ATOM 663 N GLY A 88 5.007 25.317 16.517 1.00 26.46 N ATOM 664 CA GLY A 88 3.616 24.865 16.339 1.00 28.62 C ATOM 665 C GLY A 88 3.388 24.293 14.939 1.00 29.70 C ATOM 666 O GLY A 88 2.556 23.366 14.839 1.00 30.66 O ATOM 0 H GLY A 88 5.077 26.103 16.860 1.00 26.46 H new ATOM 0 HA2 GLY A 88 3.406 24.190 17.004 1.00 28.62 H new ATOM 0 HA3 GLY A 88 3.011 25.608 16.489 1.00 28.62 H new ATOM 667 N SER A 89 4.041 24.781 13.913 1.00 30.70 N ATOM 668 CA SER A 89 3.906 24.295 12.552 1.00 31.82 C ATOM 669 C SER A 89 4.427 22.876 12.277 1.00 32.28 C ATOM 670 O SER A 89 3.708 21.995 11.750 1.00 32.78 O ATOM 671 CB SER A 89 4.678 25.185 11.562 1.00 32.57 C ATOM 672 OG SER A 89 4.075 26.455 11.469 1.00 33.88 O ATOM 0 H SER A 89 4.599 25.431 13.986 1.00 30.70 H new ATOM 0 HA SER A 89 2.943 24.306 12.433 1.00 31.82 H new ATOM 0 HB2 SER A 89 5.599 25.278 11.852 1.00 32.57 H new ATOM 0 HB3 SER A 89 4.697 24.765 10.688 1.00 32.57 H new ATOM 0 HG SER A 89 4.506 26.931 10.927 1.00 33.88 H new ATOM 673 N SER A 90 5.693 22.680 12.566 1.00 32.24 N ATOM 674 CA SER A 90 6.451 21.445 12.368 1.00 32.05 C ATOM 675 C SER A 90 5.644 20.148 12.359 1.00 32.42 C ATOM 676 O SER A 90 4.730 19.873 13.154 1.00 32.41 O ATOM 677 CB SER A 90 7.528 21.380 13.475 1.00 30.75 C ATOM 678 OG SER A 90 8.351 20.238 13.319 1.00 29.30 O ATOM 0 H SER A 90 6.176 23.304 12.908 1.00 32.24 H new ATOM 0 HA SER A 90 6.821 21.494 11.473 1.00 32.05 H new ATOM 0 HB2 SER A 90 8.073 22.182 13.447 1.00 30.75 H new ATOM 0 HB3 SER A 90 7.100 21.358 14.345 1.00 30.75 H new ATOM 0 HG SER A 90 8.221 19.709 13.958 1.00 29.30 H new ATOM 679 N LYS A 91 6.040 19.295 11.424 1.00 33.04 N ATOM 680 CA LYS A 91 5.423 17.954 11.262 1.00 33.90 C ATOM 681 C LYS A 91 6.353 17.085 10.402 1.00 33.58 C ATOM 682 O LYS A 91 6.815 17.438 9.317 1.00 33.83 O ATOM 683 CB LYS A 91 4.011 17.973 10.689 1.00 35.28 C ATOM 684 CG LYS A 91 3.423 16.565 10.471 1.00 36.24 C ATOM 685 CD LYS A 91 2.041 16.650 9.829 1.00 37.27 C ATOM 686 CE LYS A 91 0.942 16.773 10.866 1.00 37.91 C ATOM 687 NZ LYS A 91 1.430 17.558 12.033 1.00 38.35 N ATOM 0 H LYS A 91 6.669 19.463 10.862 1.00 33.04 H new ATOM 0 HA LYS A 91 5.322 17.578 12.150 1.00 33.90 H new ATOM 0 HB2 LYS A 91 3.432 18.469 11.288 1.00 35.28 H new ATOM 0 HB3 LYS A 91 4.018 18.448 9.843 1.00 35.28 H new ATOM 0 HG2 LYS A 91 4.016 16.046 9.905 1.00 36.24 H new ATOM 0 HG3 LYS A 91 3.362 16.100 11.320 1.00 36.24 H new ATOM 0 HD2 LYS A 91 2.009 17.414 9.232 1.00 37.27 H new ATOM 0 HD3 LYS A 91 1.887 15.860 9.288 1.00 37.27 H new ATOM 0 HE2 LYS A 91 0.166 17.206 10.477 1.00 37.91 H new ATOM 0 HE3 LYS A 91 0.659 15.891 11.155 1.00 37.91 H new ATOM 0 HZ1 LYS A 91 0.772 17.651 12.625 1.00 38.35 H new ATOM 0 HZ2 LYS A 91 2.112 17.132 12.414 1.00 38.35 H new ATOM 0 HZ3 LYS A 91 1.698 18.361 11.759 1.00 38.35 H new ATOM 688 N TYR A 92 6.632 15.932 10.987 1.00 33.67 N ATOM 689 CA TYR A 92 7.519 14.918 10.407 1.00 33.68 C ATOM 690 C TYR A 92 7.087 14.691 8.959 1.00 33.29 C ATOM 691 O TYR A 92 5.880 14.633 8.669 1.00 33.48 O ATOM 692 CB TYR A 92 7.547 13.633 11.252 1.00 34.61 C ATOM 693 CG TYR A 92 8.662 12.694 10.834 1.00 35.37 C ATOM 694 CD1 TYR A 92 9.992 12.824 11.222 1.00 35.38 C ATOM 695 CD2 TYR A 92 8.330 11.642 9.977 1.00 36.08 C ATOM 696 CE1 TYR A 92 10.969 11.936 10.790 1.00 35.76 C ATOM 697 CE2 TYR A 92 9.303 10.740 9.533 1.00 36.26 C ATOM 698 CZ TYR A 92 10.615 10.893 9.947 1.00 36.15 C ATOM 699 OH TYR A 92 11.484 9.964 9.452 1.00 36.81 O ATOM 0 H TYR A 92 6.307 15.705 11.750 1.00 33.67 H new ATOM 0 HA TYR A 92 8.438 15.227 10.410 1.00 33.68 H new ATOM 0 HB2 TYR A 92 7.656 13.866 12.187 1.00 34.61 H new ATOM 0 HB3 TYR A 92 6.695 13.176 11.171 1.00 34.61 H new ATOM 0 HD1 TYR A 92 10.233 13.524 11.785 1.00 35.38 H new ATOM 0 HD2 TYR A 92 7.449 11.540 9.697 1.00 36.08 H new ATOM 0 HE1 TYR A 92 11.852 12.040 11.063 1.00 35.76 H new ATOM 0 HE2 TYR A 92 9.070 10.043 8.964 1.00 36.26 H new ATOM 0 HH TYR A 92 12.262 10.141 9.714 1.00 36.81 H new ATOM 700 N PRO A 93 8.047 14.589 8.071 1.00 32.84 N ATOM 701 CA PRO A 93 9.482 14.641 8.281 1.00 32.24 C ATOM 702 C PRO A 93 10.105 15.995 8.088 1.00 31.76 C ATOM 703 O PRO A 93 11.339 16.084 7.981 1.00 31.63 O ATOM 704 CB PRO A 93 9.935 13.605 7.245 1.00 32.43 C ATOM 705 CG PRO A 93 9.145 14.101 6.046 1.00 32.49 C ATOM 706 CD PRO A 93 7.754 14.382 6.633 1.00 32.79 C ATOM 0 HA PRO A 93 9.751 14.458 9.195 1.00 32.24 H new ATOM 0 HB2 PRO A 93 10.893 13.621 7.094 1.00 32.43 H new ATOM 0 HB3 PRO A 93 9.702 12.698 7.497 1.00 32.43 H new ATOM 0 HG2 PRO A 93 9.540 14.900 5.662 1.00 32.49 H new ATOM 0 HG3 PRO A 93 9.109 13.436 5.341 1.00 32.49 H new ATOM 0 HD2 PRO A 93 7.344 15.164 6.232 1.00 32.79 H new ATOM 0 HD3 PRO A 93 7.146 13.640 6.492 1.00 32.79 H new ATOM 707 N ASN A 94 9.299 17.033 8.013 1.00 31.25 N ATOM 708 CA ASN A 94 9.796 18.413 7.848 1.00 30.82 C ATOM 709 C ASN A 94 9.836 19.057 9.247 1.00 29.20 C ATOM 710 O ASN A 94 8.990 19.919 9.578 1.00 29.54 O ATOM 711 CB ASN A 94 8.970 19.230 6.871 1.00 33.80 C ATOM 712 CG ASN A 94 9.235 19.060 5.387 1.00 35.96 C ATOM 713 OD1 ASN A 94 8.602 18.215 4.709 1.00 37.08 O ATOM 714 ND2 ASN A 94 10.167 19.889 4.883 1.00 36.75 N ATOM 0 H ASN A 94 8.442 16.973 8.055 1.00 31.25 H new ATOM 0 HA ASN A 94 10.684 18.391 7.457 1.00 30.82 H new ATOM 0 HB2 ASN A 94 8.035 19.025 7.030 1.00 33.80 H new ATOM 0 HB3 ASN A 94 9.096 20.167 7.089 1.00 33.80 H new ATOM 0 HD21 ASN A 94 10.361 19.859 4.046 1.00 36.75 H new ATOM 0 HD22 ASN A 94 10.569 20.449 5.398 1.00 36.75 H new ATOM 715 N CYS A 95 10.758 18.592 10.054 1.00 27.11 N ATOM 716 CA CYS A 95 10.926 19.063 11.442 1.00 24.21 C ATOM 717 C CYS A 95 11.416 20.505 11.447 1.00 22.79 C ATOM 718 O CYS A 95 12.382 20.764 10.699 1.00 23.23 O ATOM 719 CB CYS A 95 11.874 18.129 12.172 1.00 23.27 C ATOM 720 SG CYS A 95 11.381 16.399 12.279 1.00 21.62 S ATOM 0 H CYS A 95 11.321 17.984 9.825 1.00 27.11 H new ATOM 0 HA CYS A 95 10.076 19.050 11.908 1.00 24.21 H new ATOM 0 HB2 CYS A 95 12.738 18.171 11.734 1.00 23.27 H new ATOM 0 HB3 CYS A 95 11.996 18.465 13.073 1.00 23.27 H new ATOM 721 N ALA A 96 10.786 21.361 12.234 1.00 20.45 N ATOM 722 CA ALA A 96 11.200 22.772 12.320 1.00 17.79 C ATOM 723 C ALA A 96 11.350 23.108 13.819 1.00 16.49 C ATOM 724 O ALA A 96 10.457 22.716 14.594 1.00 15.38 O ATOM 725 CB ALA A 96 10.254 23.727 11.640 1.00 17.24 C ATOM 0 H ALA A 96 10.115 21.155 12.731 1.00 20.45 H new ATOM 0 HA ALA A 96 12.038 22.882 11.844 1.00 17.79 H new ATOM 0 HB1 ALA A 96 10.586 24.634 11.735 1.00 17.24 H new ATOM 0 HB2 ALA A 96 10.190 23.503 10.698 1.00 17.24 H new ATOM 0 HB3 ALA A 96 9.377 23.660 12.049 1.00 17.24 H new ATOM 726 N TYR A 97 12.421 23.787 14.132 1.00 14.71 N ATOM 727 CA TYR A 97 12.730 24.168 15.504 1.00 13.77 C ATOM 728 C TYR A 97 13.055 25.620 15.752 1.00 13.32 C ATOM 729 O TYR A 97 13.708 26.257 14.899 1.00 13.59 O ATOM 730 CB TYR A 97 13.986 23.376 16.002 1.00 13.28 C ATOM 731 CG TYR A 97 13.697 21.889 16.110 1.00 12.30 C ATOM 732 CD1 TYR A 97 13.856 21.049 14.990 1.00 12.40 C ATOM 733 CD2 TYR A 97 13.261 21.341 17.312 1.00 11.76 C ATOM 734 CE1 TYR A 97 13.571 19.690 15.073 1.00 11.55 C ATOM 735 CE2 TYR A 97 12.989 19.975 17.403 1.00 11.65 C ATOM 736 CZ TYR A 97 13.144 19.158 16.281 1.00 11.31 C ATOM 737 OH TYR A 97 12.825 17.835 16.376 1.00 10.94 O ATOM 0 H TYR A 97 13.003 24.049 13.556 1.00 14.71 H new ATOM 0 HA TYR A 97 11.905 23.968 15.974 1.00 13.77 H new ATOM 0 HB2 TYR A 97 14.725 23.520 15.390 1.00 13.28 H new ATOM 0 HB3 TYR A 97 14.263 23.717 16.867 1.00 13.28 H new ATOM 0 HD1 TYR A 97 14.155 21.407 14.186 1.00 12.40 H new ATOM 0 HD2 TYR A 97 13.150 21.886 18.057 1.00 11.76 H new ATOM 0 HE1 TYR A 97 13.666 19.144 14.326 1.00 11.55 H new ATOM 0 HE2 TYR A 97 12.705 19.609 18.210 1.00 11.65 H new ATOM 0 HH TYR A 97 13.020 17.554 17.143 1.00 10.94 H new ATOM 738 N LYS A 98 12.645 26.083 16.934 1.00 12.64 N ATOM 739 CA LYS A 98 12.912 27.435 17.417 1.00 11.80 C ATOM 740 C LYS A 98 14.207 27.359 18.196 1.00 11.42 C ATOM 741 O LYS A 98 14.313 26.431 19.038 1.00 12.20 O ATOM 742 CB LYS A 98 11.808 28.016 18.301 1.00 11.78 C ATOM 743 CG LYS A 98 12.184 29.338 18.996 1.00 12.04 C ATOM 744 CD LYS A 98 11.021 29.787 19.895 1.00 12.93 C ATOM 745 CE LYS A 98 11.318 30.965 20.792 1.00 13.05 C ATOM 746 NZ LYS A 98 11.955 32.112 20.106 1.00 12.99 N ATOM 0 H LYS A 98 12.193 25.606 17.489 1.00 12.64 H new ATOM 0 HA LYS A 98 12.961 28.032 16.654 1.00 11.80 H new ATOM 0 HB2 LYS A 98 11.017 28.161 17.759 1.00 11.78 H new ATOM 0 HB3 LYS A 98 11.572 27.362 18.978 1.00 11.78 H new ATOM 0 HG2 LYS A 98 12.989 29.220 19.525 1.00 12.04 H new ATOM 0 HG3 LYS A 98 12.377 30.020 18.334 1.00 12.04 H new ATOM 0 HD2 LYS A 98 10.264 30.011 19.332 1.00 12.93 H new ATOM 0 HD3 LYS A 98 10.751 29.038 20.448 1.00 12.93 H new ATOM 0 HE2 LYS A 98 10.490 31.265 21.198 1.00 13.05 H new ATOM 0 HE3 LYS A 98 11.897 30.671 21.512 1.00 13.05 H new ATOM 0 HZ1 LYS A 98 11.903 32.834 20.624 1.00 12.99 H new ATOM 0 HZ2 LYS A 98 12.810 31.924 19.944 1.00 12.99 H new ATOM 0 HZ3 LYS A 98 11.535 32.269 19.337 1.00 12.99 H new ATOM 747 N THR A 99 15.172 28.206 18.004 1.00 10.75 N ATOM 748 CA THR A 99 16.438 28.225 18.721 1.00 10.30 C ATOM 749 C THR A 99 16.474 29.271 19.825 1.00 10.49 C ATOM 750 O THR A 99 16.283 30.452 19.459 1.00 10.67 O ATOM 751 CB THR A 99 17.647 28.471 17.732 1.00 9.53 C ATOM 752 OG1 THR A 99 17.548 27.414 16.737 1.00 9.27 O ATOM 753 CG2 THR A 99 19.027 28.544 18.392 1.00 10.04 C ATOM 0 H THR A 99 15.117 28.832 17.417 1.00 10.75 H new ATOM 0 HA THR A 99 16.524 27.352 19.134 1.00 10.30 H new ATOM 0 HB THR A 99 17.575 29.354 17.338 1.00 9.53 H new ATOM 0 HG1 THR A 99 17.740 26.677 17.091 1.00 9.27 H new ATOM 0 HG21 THR A 99 19.703 28.696 17.713 1.00 10.04 H new ATOM 0 HG22 THR A 99 19.042 29.273 19.032 1.00 10.04 H new ATOM 0 HG23 THR A 99 19.211 27.709 18.850 1.00 10.04 H new ATOM 754 N THR A 100 16.733 28.909 21.065 1.00 10.21 N ATOM 755 CA THR A 100 16.845 29.907 22.151 1.00 10.37 C ATOM 756 C THR A 100 18.192 29.729 22.889 1.00 10.71 C ATOM 757 O THR A 100 18.382 28.697 23.588 1.00 10.53 O ATOM 758 CB THR A 100 15.679 29.915 23.209 1.00 10.22 C ATOM 759 OG1 THR A 100 14.438 29.930 22.399 1.00 10.74 O ATOM 760 CG2 THR A 100 15.768 31.095 24.177 1.00 9.49 C ATOM 0 H THR A 100 16.850 28.094 21.315 1.00 10.21 H new ATOM 0 HA THR A 100 16.785 30.763 21.698 1.00 10.37 H new ATOM 0 HB THR A 100 15.717 29.141 23.792 1.00 10.22 H new ATOM 0 HG1 THR A 100 14.245 29.146 22.168 1.00 10.74 H new ATOM 0 HG21 THR A 100 15.030 31.054 24.806 1.00 9.49 H new ATOM 0 HG22 THR A 100 16.608 31.054 24.661 1.00 9.49 H new ATOM 0 HG23 THR A 100 15.723 31.926 23.679 1.00 9.49 H new ATOM 761 N GLN A 101 19.084 30.673 22.746 1.00 11.01 N ATOM 762 CA GLN A 101 20.419 30.649 23.373 1.00 11.90 C ATOM 763 C GLN A 101 20.331 31.257 24.768 1.00 12.07 C ATOM 764 O GLN A 101 19.550 32.213 24.865 1.00 11.92 O ATOM 765 CB GLN A 101 21.437 31.378 22.519 1.00 13.05 C ATOM 766 CG GLN A 101 22.775 31.594 23.208 1.00 14.55 C ATOM 767 CD GLN A 101 23.601 30.319 23.357 1.00 15.23 C ATOM 768 OE1 GLN A 101 23.548 29.410 22.530 1.00 14.93 O ATOM 769 NE2 GLN A 101 24.383 30.303 24.459 1.00 15.05 N ATOM 0 H GLN A 101 18.945 31.376 22.271 1.00 11.01 H new ATOM 0 HA GLN A 101 20.718 29.729 23.448 1.00 11.90 H new ATOM 0 HB2 GLN A 101 21.581 30.875 21.702 1.00 13.05 H new ATOM 0 HB3 GLN A 101 21.073 32.239 22.261 1.00 13.05 H new ATOM 0 HG2 GLN A 101 23.288 32.245 22.704 1.00 14.55 H new ATOM 0 HG3 GLN A 101 22.620 31.974 24.087 1.00 14.55 H new ATOM 0 HE21 GLN A 101 24.376 30.971 25.001 1.00 15.05 H new ATOM 0 HE22 GLN A 101 24.888 29.625 24.618 1.00 15.05 H new ATOM 770 N ALA A 102 21.015 30.763 25.767 1.00 11.91 N ATOM 771 CA ALA A 102 20.947 31.327 27.125 1.00 12.61 C ATOM 772 C ALA A 102 22.135 30.827 27.930 1.00 13.60 C ATOM 773 O ALA A 102 22.904 29.972 27.470 1.00 12.46 O ATOM 774 CB ALA A 102 19.598 30.970 27.742 1.00 12.50 C ATOM 0 H ALA A 102 21.541 30.086 25.695 1.00 11.91 H new ATOM 0 HA ALA A 102 21.005 32.295 27.113 1.00 12.61 H new ATOM 0 HB1 ALA A 102 19.544 31.338 28.638 1.00 12.50 H new ATOM 0 HB2 ALA A 102 18.885 31.340 27.198 1.00 12.50 H new ATOM 0 HB3 ALA A 102 19.506 30.005 27.783 1.00 12.50 H new ATOM 775 N ASN A 103 22.319 31.399 29.109 1.00 14.80 N ATOM 776 CA ASN A 103 23.370 31.032 30.071 1.00 16.41 C ATOM 777 C ASN A 103 22.631 30.679 31.381 1.00 16.36 C ATOM 778 O ASN A 103 22.150 31.634 32.000 1.00 17.13 O ATOM 779 CB ASN A 103 24.418 32.009 30.554 1.00 18.44 C ATOM 780 CG ASN A 103 25.298 32.334 29.383 1.00 19.79 C ATOM 781 OD1 ASN A 103 26.320 31.713 29.097 1.00 21.29 O ATOM 782 ND2 ASN A 103 24.730 33.336 28.728 1.00 21.73 N ATOM 0 H ASN A 103 21.819 32.039 29.391 1.00 14.80 H new ATOM 0 HA ASN A 103 23.865 30.371 29.562 1.00 16.41 H new ATOM 0 HB2 ASN A 103 24.002 32.813 30.902 1.00 18.44 H new ATOM 0 HB3 ASN A 103 24.938 31.623 31.276 1.00 18.44 H new ATOM 0 HD21 ASN A 103 25.083 33.629 28.000 1.00 21.73 H new ATOM 0 HD22 ASN A 103 24.009 33.693 29.030 1.00 21.73 H new ATOM 783 N LYS A 104 22.620 29.424 31.688 1.00 15.99 N ATOM 784 CA LYS A 104 21.941 28.936 32.857 1.00 15.53 C ATOM 785 C LYS A 104 22.686 27.788 33.516 1.00 15.05 C ATOM 786 O LYS A 104 23.596 27.212 32.910 1.00 15.04 O ATOM 787 CB LYS A 104 20.569 28.441 32.424 1.00 16.75 C ATOM 788 CG LYS A 104 19.861 29.528 31.563 1.00 18.72 C ATOM 789 CD LYS A 104 18.574 28.891 31.011 1.00 20.34 C ATOM 790 CE LYS A 104 17.491 28.898 32.135 1.00 21.12 C ATOM 791 NZ LYS A 104 16.625 27.767 31.815 1.00 21.71 N ATOM 0 H LYS A 104 23.009 28.814 31.224 1.00 15.99 H new ATOM 0 HA LYS A 104 21.882 29.657 33.503 1.00 15.53 H new ATOM 0 HB2 LYS A 104 20.658 27.621 31.914 1.00 16.75 H new ATOM 0 HB3 LYS A 104 20.031 28.233 33.204 1.00 16.75 H new ATOM 0 HG2 LYS A 104 19.655 30.310 32.098 1.00 18.72 H new ATOM 0 HG3 LYS A 104 20.436 29.822 30.840 1.00 18.72 H new ATOM 0 HD2 LYS A 104 18.259 29.385 30.238 1.00 20.34 H new ATOM 0 HD3 LYS A 104 18.747 27.983 30.717 1.00 20.34 H new ATOM 0 HE2 LYS A 104 17.892 28.799 33.013 1.00 21.12 H new ATOM 0 HE3 LYS A 104 16.995 29.732 32.143 1.00 21.12 H new ATOM 0 HZ1 LYS A 104 16.067 27.619 32.492 1.00 21.71 H new ATOM 0 HZ2 LYS A 104 16.157 27.950 31.080 1.00 21.71 H new ATOM 0 HZ3 LYS A 104 17.122 27.042 31.677 1.00 21.71 H new ATOM 792 N HIS A 105 22.257 27.483 34.713 1.00 13.82 N ATOM 793 CA HIS A 105 22.752 26.379 35.503 1.00 13.32 C ATOM 794 C HIS A 105 22.117 25.140 34.862 1.00 13.40 C ATOM 795 O HIS A 105 20.907 25.288 34.459 1.00 13.75 O ATOM 796 CB HIS A 105 22.391 26.343 37.001 1.00 13.10 C ATOM 797 CG HIS A 105 22.756 27.630 37.661 1.00 13.17 C ATOM 798 ND1 HIS A 105 23.895 27.800 38.391 1.00 13.86 N ATOM 799 CD2 HIS A 105 22.128 28.826 37.668 1.00 13.36 C ATOM 800 CE1 HIS A 105 23.969 29.046 38.848 1.00 13.72 C ATOM 801 NE2 HIS A 105 22.903 29.680 38.434 1.00 14.25 N ATOM 0 H HIS A 105 21.640 27.932 35.111 1.00 13.82 H new ATOM 0 HA HIS A 105 23.720 26.445 35.496 1.00 13.32 H new ATOM 0 HB2 HIS A 105 21.441 26.178 37.106 1.00 13.10 H new ATOM 0 HB3 HIS A 105 22.855 25.609 37.433 1.00 13.10 H new ATOM 0 HD1 HIS A 105 24.482 27.188 38.535 1.00 13.86 H new ATOM 0 HD2 HIS A 105 21.329 29.035 37.241 1.00 13.36 H new ATOM 0 HE1 HIS A 105 24.654 29.402 39.367 1.00 13.72 H new ATOM 802 N ILE A 106 22.848 24.048 34.802 1.00 12.26 N ATOM 803 CA ILE A 106 22.227 22.841 34.257 1.00 11.62 C ATOM 804 C ILE A 106 21.975 21.854 35.395 1.00 11.54 C ATOM 805 O ILE A 106 22.683 21.852 36.418 1.00 11.27 O ATOM 806 CB ILE A 106 23.079 22.219 33.093 1.00 11.03 C ATOM 807 CG1 ILE A 106 24.483 21.807 33.624 1.00 10.45 C ATOM 808 CG2 ILE A 106 23.256 23.122 31.874 1.00 10.46 C ATOM 809 CD1 ILE A 106 25.087 20.727 32.662 1.00 10.78 C ATOM 0 H ILE A 106 23.666 23.974 35.055 1.00 12.26 H new ATOM 0 HA ILE A 106 21.374 23.072 33.856 1.00 11.62 H new ATOM 0 HB ILE A 106 22.572 21.449 32.790 1.00 11.03 H new ATOM 0 HG12 ILE A 106 25.066 22.581 33.669 1.00 10.45 H new ATOM 0 HG13 ILE A 106 24.411 21.453 34.524 1.00 10.45 H new ATOM 0 HG21 ILE A 106 23.791 22.664 31.207 1.00 10.46 H new ATOM 0 HG22 ILE A 106 22.387 23.335 31.500 1.00 10.46 H new ATOM 0 HG23 ILE A 106 23.703 23.941 32.140 1.00 10.46 H new ATOM 0 HD11 ILE A 106 25.963 20.462 32.983 1.00 10.78 H new ATOM 0 HD12 ILE A 106 24.504 19.952 32.638 1.00 10.78 H new ATOM 0 HD13 ILE A 106 25.168 21.098 31.769 1.00 10.78 H new ATOM 810 N ILE A 107 20.987 21.005 35.227 1.00 11.14 N ATOM 811 CA ILE A 107 20.699 19.935 36.173 1.00 11.82 C ATOM 812 C ILE A 107 20.771 18.594 35.417 1.00 11.92 C ATOM 813 O ILE A 107 20.016 18.482 34.450 1.00 11.81 O ATOM 814 CB ILE A 107 19.346 20.125 36.919 1.00 12.19 C ATOM 815 CG1 ILE A 107 19.473 21.481 37.672 1.00 12.88 C ATOM 816 CG2 ILE A 107 19.078 18.933 37.888 1.00 12.35 C ATOM 817 CD1 ILE A 107 18.099 22.206 37.771 1.00 14.42 C ATOM 0 H ILE A 107 20.453 21.028 34.553 1.00 11.14 H new ATOM 0 HA ILE A 107 21.365 19.950 36.878 1.00 11.82 H new ATOM 0 HB ILE A 107 18.590 20.140 36.311 1.00 12.19 H new ATOM 0 HG12 ILE A 107 19.824 21.327 38.563 1.00 12.88 H new ATOM 0 HG13 ILE A 107 20.109 22.051 37.211 1.00 12.88 H new ATOM 0 HG21 ILE A 107 18.232 19.069 38.343 1.00 12.35 H new ATOM 0 HG22 ILE A 107 19.043 18.106 37.382 1.00 12.35 H new ATOM 0 HG23 ILE A 107 19.792 18.881 38.543 1.00 12.35 H new ATOM 0 HD11 ILE A 107 18.209 23.046 38.244 1.00 14.42 H new ATOM 0 HD12 ILE A 107 17.760 22.380 36.879 1.00 14.42 H new ATOM 0 HD13 ILE A 107 17.471 21.645 38.252 1.00 14.42 H new ATOM 818 N VAL A 108 21.577 17.652 35.864 1.00 11.91 N ATOM 819 CA VAL A 108 21.680 16.342 35.232 1.00 11.82 C ATOM 820 C VAL A 108 21.566 15.207 36.247 1.00 12.19 C ATOM 821 O VAL A 108 21.877 15.377 37.437 1.00 12.61 O ATOM 822 CB VAL A 108 23.008 16.147 34.442 1.00 12.35 C ATOM 823 CG1 VAL A 108 23.199 17.145 33.292 1.00 12.87 C ATOM 824 CG2 VAL A 108 24.236 16.286 35.340 1.00 12.06 C ATOM 0 H VAL A 108 22.087 17.750 36.549 1.00 11.91 H new ATOM 0 HA VAL A 108 20.936 16.311 34.610 1.00 11.82 H new ATOM 0 HB VAL A 108 22.930 15.249 34.084 1.00 12.35 H new ATOM 0 HG11 VAL A 108 24.042 16.967 32.846 1.00 12.87 H new ATOM 0 HG12 VAL A 108 22.471 17.051 32.658 1.00 12.87 H new ATOM 0 HG13 VAL A 108 23.205 18.048 33.645 1.00 12.87 H new ATOM 0 HG21 VAL A 108 25.039 16.158 34.812 1.00 12.06 H new ATOM 0 HG22 VAL A 108 24.248 17.171 35.737 1.00 12.06 H new ATOM 0 HG23 VAL A 108 24.201 15.617 36.042 1.00 12.06 H new ATOM 825 N ALA A 109 21.160 14.038 35.765 1.00 12.16 N ATOM 826 CA ALA A 109 21.047 12.798 36.520 1.00 12.41 C ATOM 827 C ALA A 109 22.349 12.033 36.208 1.00 12.63 C ATOM 828 O ALA A 109 22.754 11.975 35.035 1.00 11.97 O ATOM 829 CB ALA A 109 19.873 11.898 36.207 1.00 12.52 C ATOM 0 H ALA A 109 20.930 13.943 34.942 1.00 12.16 H new ATOM 0 HA ALA A 109 20.901 13.038 37.449 1.00 12.41 H new ATOM 0 HB1 ALA A 109 19.909 11.110 36.772 1.00 12.52 H new ATOM 0 HB2 ALA A 109 19.045 12.376 36.372 1.00 12.52 H new ATOM 0 HB3 ALA A 109 19.910 11.629 35.276 1.00 12.52 H new ATOM 830 N CYS A 110 22.971 11.530 37.244 1.00 12.97 N ATOM 831 CA CYS A 110 24.242 10.813 37.085 1.00 13.92 C ATOM 832 C CYS A 110 24.059 9.371 37.570 1.00 15.53 C ATOM 833 O CYS A 110 23.249 9.084 38.456 1.00 15.64 O ATOM 834 CB CYS A 110 25.377 11.511 37.805 1.00 12.37 C ATOM 835 SG CYS A 110 25.635 13.241 37.362 1.00 11.45 S ATOM 0 H CYS A 110 22.687 11.584 38.054 1.00 12.97 H new ATOM 0 HA CYS A 110 24.488 10.804 36.147 1.00 13.92 H new ATOM 0 HB2 CYS A 110 25.213 11.459 38.760 1.00 12.37 H new ATOM 0 HB3 CYS A 110 26.197 11.024 37.631 1.00 12.37 H new ATOM 836 N GLU A 111 24.872 8.524 36.967 1.00 16.78 N ATOM 837 CA GLU A 111 24.869 7.094 37.255 1.00 19.22 C ATOM 838 C GLU A 111 26.069 6.377 36.683 1.00 19.99 C ATOM 839 O GLU A 111 26.826 6.886 35.823 1.00 19.40 O ATOM 840 CB GLU A 111 23.611 6.592 36.628 1.00 21.62 C ATOM 841 CG GLU A 111 23.002 5.237 36.760 1.00 25.26 C ATOM 842 CD GLU A 111 21.765 5.125 35.886 1.00 27.41 C ATOM 843 OE1 GLU A 111 20.667 5.520 36.281 1.00 28.75 O ATOM 844 OE2 GLU A 111 22.037 4.629 34.751 1.00 28.78 O ATOM 0 H GLU A 111 25.448 8.760 36.373 1.00 16.78 H new ATOM 0 HA GLU A 111 24.913 6.932 38.210 1.00 19.22 H new ATOM 0 HB2 GLU A 111 22.920 7.210 36.915 1.00 21.62 H new ATOM 0 HB3 GLU A 111 23.732 6.724 35.675 1.00 21.62 H new ATOM 0 HG2 GLU A 111 23.648 4.560 36.505 1.00 25.26 H new ATOM 0 HG3 GLU A 111 22.767 5.070 37.686 1.00 25.26 H new ATOM 845 N GLY A 112 26.232 5.156 37.162 1.00 20.79 N ATOM 846 CA GLY A 112 27.272 4.229 36.763 1.00 22.16 C ATOM 847 C GLY A 112 28.639 4.461 37.369 1.00 23.06 C ATOM 848 O GLY A 112 28.815 5.274 38.292 1.00 23.31 O ATOM 0 H GLY A 112 25.710 4.828 37.762 1.00 20.79 H new ATOM 0 HA2 GLY A 112 26.985 3.331 36.992 1.00 22.16 H new ATOM 0 HA3 GLY A 112 27.357 4.262 35.797 1.00 22.16 H new ATOM 849 N ASN A 113 29.588 3.695 36.833 1.00 23.66 N ATOM 850 CA ASN A 113 30.981 3.781 37.253 1.00 24.86 C ATOM 851 C ASN A 113 31.816 3.717 35.971 1.00 24.01 C ATOM 852 O ASN A 113 31.806 2.631 35.384 1.00 25.10 O ATOM 853 CB ASN A 113 31.367 2.703 38.251 1.00 27.97 C ATOM 854 CG ASN A 113 32.848 2.840 38.585 1.00 30.43 C ATOM 855 OD1 ASN A 113 33.283 3.662 39.411 1.00 31.71 O ATOM 856 ND2 ASN A 113 33.660 2.003 37.920 1.00 32.18 N ATOM 0 H ASN A 113 29.441 3.113 36.217 1.00 23.66 H new ATOM 0 HA ASN A 113 31.141 4.609 37.732 1.00 24.86 H new ATOM 0 HB2 ASN A 113 30.833 2.786 39.057 1.00 27.97 H new ATOM 0 HB3 ASN A 113 31.187 1.825 37.881 1.00 27.97 H new ATOM 0 HD21 ASN A 113 34.508 2.025 38.060 1.00 32.18 H new ATOM 0 HD22 ASN A 113 33.332 1.445 37.354 1.00 32.18 H new ATOM 857 N PRO A 114 32.452 4.785 35.575 1.00 23.17 N ATOM 858 CA PRO A 114 32.467 6.095 36.243 1.00 22.08 C ATOM 859 C PRO A 114 31.108 6.762 36.317 1.00 20.57 C ATOM 860 O PRO A 114 30.245 6.517 35.468 1.00 20.25 O ATOM 861 CB PRO A 114 33.486 6.909 35.441 1.00 22.34 C ATOM 862 CG PRO A 114 33.416 6.263 34.073 1.00 22.79 C ATOM 863 CD PRO A 114 33.258 4.768 34.341 1.00 22.78 C ATOM 0 HA PRO A 114 32.710 6.014 37.179 1.00 22.08 H new ATOM 0 HB2 PRO A 114 33.252 7.850 35.409 1.00 22.34 H new ATOM 0 HB3 PRO A 114 34.376 6.851 35.823 1.00 22.34 H new ATOM 0 HG2 PRO A 114 32.668 6.608 33.561 1.00 22.79 H new ATOM 0 HG3 PRO A 114 34.219 6.444 33.559 1.00 22.79 H new ATOM 0 HD2 PRO A 114 32.806 4.311 33.614 1.00 22.78 H new ATOM 0 HD3 PRO A 114 34.112 4.326 34.467 1.00 22.78 H new ATOM 864 N TYR A 115 30.931 7.613 37.306 1.00 18.85 N ATOM 865 CA TYR A 115 29.696 8.380 37.580 1.00 16.77 C ATOM 866 C TYR A 115 29.608 9.620 36.707 1.00 15.40 C ATOM 867 O TYR A 115 30.237 10.643 36.992 1.00 14.95 O ATOM 868 CB TYR A 115 29.692 8.691 39.073 1.00 16.43 C ATOM 869 CG TYR A 115 28.401 9.066 39.736 1.00 15.71 C ATOM 870 CD1 TYR A 115 27.373 8.120 39.874 1.00 15.54 C ATOM 871 CD2 TYR A 115 28.235 10.338 40.299 1.00 15.27 C ATOM 872 CE1 TYR A 115 26.181 8.466 40.519 1.00 15.49 C ATOM 873 CE2 TYR A 115 27.055 10.672 40.952 1.00 15.13 C ATOM 874 CZ TYR A 115 26.048 9.736 41.062 1.00 15.05 C ATOM 875 OH TYR A 115 24.892 10.110 41.693 1.00 16.90 O ATOM 0 H TYR A 115 31.553 7.779 37.876 1.00 18.85 H new ATOM 0 HA TYR A 115 28.904 7.867 37.356 1.00 16.77 H new ATOM 0 HB2 TYR A 115 30.043 7.913 39.535 1.00 16.43 H new ATOM 0 HB3 TYR A 115 30.319 9.416 39.222 1.00 16.43 H new ATOM 0 HD1 TYR A 115 27.485 7.261 39.536 1.00 15.54 H new ATOM 0 HD2 TYR A 115 28.920 10.964 40.235 1.00 15.27 H new ATOM 0 HE1 TYR A 115 25.486 7.852 40.583 1.00 15.49 H new ATOM 0 HE2 TYR A 115 26.945 11.522 41.313 1.00 15.13 H new ATOM 0 HH TYR A 115 24.474 9.425 41.942 1.00 16.90 H new ATOM 876 N VAL A 116 28.836 9.522 35.650 1.00 14.15 N ATOM 877 CA VAL A 116 28.647 10.537 34.629 1.00 13.03 C ATOM 878 C VAL A 116 27.189 10.823 34.304 1.00 12.42 C ATOM 879 O VAL A 116 26.313 10.012 34.671 1.00 11.97 O ATOM 880 CB VAL A 116 29.391 10.037 33.366 1.00 12.84 C ATOM 881 CG1 VAL A 116 30.896 9.832 33.476 1.00 13.41 C ATOM 882 CG2 VAL A 116 28.762 8.689 32.981 1.00 12.14 C ATOM 0 H VAL A 116 28.374 8.814 35.494 1.00 14.15 H new ATOM 0 HA VAL A 116 28.999 11.379 34.958 1.00 13.03 H new ATOM 0 HB VAL A 116 29.290 10.745 32.711 1.00 12.84 H new ATOM 0 HG11 VAL A 116 31.243 9.520 32.626 1.00 13.41 H new ATOM 0 HG12 VAL A 116 31.321 10.672 33.709 1.00 13.41 H new ATOM 0 HG13 VAL A 116 31.084 9.173 34.163 1.00 13.41 H new ATOM 0 HG21 VAL A 116 29.202 8.340 32.190 1.00 12.14 H new ATOM 0 HG22 VAL A 116 28.868 8.061 33.713 1.00 12.14 H new ATOM 0 HG23 VAL A 116 27.818 8.813 32.797 1.00 12.14 H new ATOM 883 N PRO A 117 26.963 11.916 33.601 1.00 11.91 N ATOM 884 CA PRO A 117 25.618 12.332 33.194 1.00 11.62 C ATOM 885 C PRO A 117 24.934 11.346 32.251 1.00 11.56 C ATOM 886 O PRO A 117 25.586 10.905 31.277 1.00 10.99 O ATOM 887 CB PRO A 117 25.804 13.692 32.555 1.00 11.64 C ATOM 888 CG PRO A 117 27.156 14.155 32.994 1.00 11.77 C ATOM 889 CD PRO A 117 27.987 12.884 33.155 1.00 11.84 C ATOM 0 HA PRO A 117 25.023 12.364 33.959 1.00 11.62 H new ATOM 0 HB2 PRO A 117 25.751 13.634 31.588 1.00 11.64 H new ATOM 0 HB3 PRO A 117 25.113 14.310 32.841 1.00 11.64 H new ATOM 0 HG2 PRO A 117 27.551 14.751 32.339 1.00 11.77 H new ATOM 0 HG3 PRO A 117 27.103 14.646 33.829 1.00 11.77 H new ATOM 0 HD2 PRO A 117 28.406 12.614 32.323 1.00 11.84 H new ATOM 0 HD3 PRO A 117 28.696 12.992 33.808 1.00 11.84 H new ATOM 890 N VAL A 118 23.674 11.027 32.557 1.00 10.87 N ATOM 891 CA VAL A 118 22.900 10.102 31.706 1.00 11.68 C ATOM 892 C VAL A 118 21.588 10.758 31.246 1.00 12.10 C ATOM 893 O VAL A 118 20.949 10.242 30.312 1.00 12.29 O ATOM 894 CB VAL A 118 22.610 8.741 32.369 1.00 11.00 C ATOM 895 CG1 VAL A 118 23.842 7.880 32.537 1.00 10.92 C ATOM 896 CG2 VAL A 118 21.871 8.854 33.693 1.00 11.24 C ATOM 0 H VAL A 118 23.250 11.328 33.242 1.00 10.87 H new ATOM 0 HA VAL A 118 23.462 9.917 30.937 1.00 11.68 H new ATOM 0 HB VAL A 118 22.020 8.298 31.739 1.00 11.00 H new ATOM 0 HG11 VAL A 118 23.596 7.041 32.958 1.00 10.92 H new ATOM 0 HG12 VAL A 118 24.234 7.703 31.668 1.00 10.92 H new ATOM 0 HG13 VAL A 118 24.487 8.343 33.094 1.00 10.92 H new ATOM 0 HG21 VAL A 118 21.720 7.967 34.056 1.00 11.24 H new ATOM 0 HG22 VAL A 118 22.402 9.373 34.317 1.00 11.24 H new ATOM 0 HG23 VAL A 118 21.018 9.294 33.551 1.00 11.24 H new ATOM 897 N HIS A 119 21.198 11.861 31.865 1.00 12.90 N ATOM 898 CA HIS A 119 19.942 12.546 31.513 1.00 13.34 C ATOM 899 C HIS A 119 19.986 14.039 31.791 1.00 13.84 C ATOM 900 O HIS A 119 20.534 14.456 32.832 1.00 13.08 O ATOM 901 CB HIS A 119 18.729 11.933 32.275 1.00 14.53 C ATOM 902 CG HIS A 119 17.382 12.496 31.956 1.00 15.30 C ATOM 903 ND1 HIS A 119 16.911 12.731 30.681 1.00 16.07 N ATOM 904 CD2 HIS A 119 16.365 12.856 32.768 1.00 15.80 C ATOM 905 CE1 HIS A 119 15.672 13.189 30.720 1.00 15.75 C ATOM 906 NE2 HIS A 119 15.314 13.263 31.985 1.00 16.25 N ATOM 0 H HIS A 119 21.643 12.239 32.497 1.00 12.90 H new ATOM 0 HA HIS A 119 19.834 12.416 30.558 1.00 13.34 H new ATOM 0 HB2 HIS A 119 18.709 10.980 32.096 1.00 14.53 H new ATOM 0 HB3 HIS A 119 18.884 12.039 33.227 1.00 14.53 H new ATOM 0 HD2 HIS A 119 16.375 12.832 33.698 1.00 15.80 H new ATOM 0 HE1 HIS A 119 15.148 13.418 29.987 1.00 15.75 H new ATOM 0 HE2 HIS A 119 14.547 13.524 32.273 1.00 16.25 H new ATOM 907 N PHE A 120 19.433 14.808 30.852 1.00 13.90 N ATOM 908 CA PHE A 120 19.369 16.286 31.039 1.00 14.34 C ATOM 909 C PHE A 120 18.013 16.501 31.738 1.00 15.21 C ATOM 910 O PHE A 120 16.990 16.224 31.071 1.00 14.51 O ATOM 911 CB PHE A 120 19.518 17.111 29.788 1.00 13.97 C ATOM 912 CG PHE A 120 19.758 18.586 29.935 1.00 13.74 C ATOM 913 CD1 PHE A 120 18.663 19.451 30.037 1.00 14.18 C ATOM 914 CD2 PHE A 120 21.056 19.076 29.945 1.00 13.62 C ATOM 915 CE1 PHE A 120 18.858 20.841 30.159 1.00 14.35 C ATOM 916 CE2 PHE A 120 21.288 20.434 30.078 1.00 14.66 C ATOM 917 CZ PHE A 120 20.185 21.308 30.169 1.00 14.58 C ATOM 0 H PHE A 120 19.095 14.517 30.116 1.00 13.90 H new ATOM 0 HA PHE A 120 20.128 16.598 31.556 1.00 14.34 H new ATOM 0 HB2 PHE A 120 20.253 16.741 29.275 1.00 13.97 H new ATOM 0 HB3 PHE A 120 18.714 16.993 29.258 1.00 13.97 H new ATOM 0 HD1 PHE A 120 17.800 19.106 30.024 1.00 14.18 H new ATOM 0 HD2 PHE A 120 21.773 18.490 29.862 1.00 13.62 H new ATOM 0 HE1 PHE A 120 18.139 21.426 30.230 1.00 14.35 H new ATOM 0 HE2 PHE A 120 22.157 20.765 30.107 1.00 14.66 H new ATOM 0 HZ PHE A 120 20.340 22.222 30.238 1.00 14.58 H new ATOM 918 N ASP A 121 18.050 16.950 32.972 1.00 15.57 N ATOM 919 CA ASP A 121 16.765 17.161 33.681 1.00 17.01 C ATOM 920 C ASP A 121 16.139 18.522 33.371 1.00 17.08 C ATOM 921 O ASP A 121 14.939 18.603 33.035 1.00 17.14 O ATOM 922 CB ASP A 121 16.982 16.948 35.185 1.00 18.36 C ATOM 923 CG ASP A 121 15.669 16.848 35.950 1.00 20.03 C ATOM 924 OD1 ASP A 121 14.914 15.921 35.612 1.00 21.41 O ATOM 925 OD2 ASP A 121 15.354 17.633 36.864 1.00 20.74 O ATOM 0 H ASP A 121 18.762 17.137 33.417 1.00 15.57 H new ATOM 0 HA ASP A 121 16.123 16.509 33.360 1.00 17.01 H new ATOM 0 HB2 ASP A 121 17.497 16.138 35.324 1.00 18.36 H new ATOM 0 HB3 ASP A 121 17.506 17.682 35.541 1.00 18.36 H new ATOM 926 N ALA A 122 16.912 19.581 33.505 1.00 17.09 N ATOM 927 CA ALA A 122 16.481 20.941 33.301 1.00 17.33 C ATOM 928 C ALA A 122 17.600 21.951 33.375 1.00 17.62 C ATOM 929 O ALA A 122 18.723 21.507 33.647 1.00 17.49 O ATOM 930 CB ALA A 122 15.520 21.369 34.416 1.00 17.94 C ATOM 0 H ALA A 122 17.740 19.521 33.728 1.00 17.09 H new ATOM 0 HA ALA A 122 16.083 20.936 32.417 1.00 17.33 H new ATOM 0 HB1 ALA A 122 15.238 22.285 34.267 1.00 17.94 H new ATOM 0 HB2 ALA A 122 14.743 20.788 34.415 1.00 17.94 H new ATOM 0 HB3 ALA A 122 15.970 21.305 35.273 1.00 17.94 H new ATOM 931 N SER A 123 17.243 23.210 33.174 1.00 17.60 N ATOM 932 CA SER A 123 18.234 24.292 33.313 1.00 17.71 C ATOM 933 C SER A 123 17.531 25.348 34.174 1.00 17.50 C ATOM 934 O SER A 123 16.279 25.339 34.243 1.00 17.15 O ATOM 935 CB SER A 123 18.743 24.865 32.008 1.00 18.37 C ATOM 936 OG SER A 123 17.868 25.908 31.532 1.00 19.61 O ATOM 0 H SER A 123 16.450 23.466 32.960 1.00 17.60 H new ATOM 0 HA SER A 123 19.047 23.951 33.717 1.00 17.71 H new ATOM 0 HB2 SER A 123 19.638 25.219 32.132 1.00 18.37 H new ATOM 0 HB3 SER A 123 18.806 24.161 31.343 1.00 18.37 H new ATOM 0 HG SER A 123 17.137 25.572 31.290 1.00 19.61 H new ATOM 937 N VAL A 124 18.299 26.214 34.810 1.00 17.47 N ATOM 938 CA VAL A 124 17.731 27.323 35.602 1.00 17.77 C ATOM 939 C VAL A 124 18.689 28.539 35.454 1.00 17.54 C ATOM 940 O VAL A 124 19.801 28.376 36.004 1.00 16.65 O ATOM 941 CB VAL A 124 17.443 27.035 37.078 1.00 18.65 C ATOM 942 CG1 VAL A 124 18.394 26.181 37.842 1.00 19.09 C ATOM 943 CG2 VAL A 124 17.081 28.349 37.801 1.00 19.05 C ATOM 944 OXT VAL A 124 18.190 29.494 34.811 1.00 17.53 O ATOM 0 H VAL A 124 19.159 26.187 34.803 1.00 17.47 H new ATOM 0 HA VAL A 124 16.847 27.494 35.241 1.00 17.77 H new ATOM 0 HB VAL A 124 16.681 26.435 37.055 1.00 18.65 H new ATOM 0 HG11 VAL A 124 18.083 26.088 38.756 1.00 19.09 H new ATOM 0 HG12 VAL A 124 18.447 25.305 37.428 1.00 19.09 H new ATOM 0 HG13 VAL A 124 19.272 26.593 37.840 1.00 19.09 H new ATOM 0 HG21 VAL A 124 16.899 28.165 38.736 1.00 19.05 H new ATOM 0 HG22 VAL A 124 17.822 28.971 37.733 1.00 19.05 H new ATOM 0 HG23 VAL A 124 16.294 28.739 37.389 1.00 19.05 H new TER 945 VAL A 124 HETATM 946 CL CL A 126 23.507 8.218 15.793 1.00 19.53 CL HETATM 947 CL CL A 127 16.433 18.304 26.902 1.00 20.82 CL HETATM 948 CL CL A 128 30.021 4.721 27.144 1.00 24.58 CL HETATM 949 C1 AEN A 125 14.000 10.047 31.696 1.00 29.48 C HETATM 950 C2 AEN A 125 13.027 10.732 30.965 1.00 29.94 C HETATM 951 C3 AEN A 125 13.245 11.029 29.618 1.00 29.47 C HETATM 952 C4 AEN A 125 14.456 10.665 29.011 1.00 29.80 C HETATM 953 C5 AEN A 125 16.631 9.655 29.101 1.00 27.13 C HETATM 954 C6 AEN A 125 17.620 8.960 29.800 1.00 27.31 C HETATM 955 C7 AEN A 125 17.420 8.648 31.145 1.00 28.11 C HETATM 956 C8 AEN A 125 16.230 8.994 31.793 1.00 28.41 C HETATM 957 C9 AEN A 125 15.217 9.673 31.093 1.00 29.11 C HETATM 958 C10 AEN A 125 15.439 9.997 29.749 1.00 28.16 C HETATM 959 C1' AEN A 125 18.497 14.252 26.601 1.00 15.75 C HETATM 960 C2' AEN A 125 18.989 13.009 27.300 1.00 18.34 C HETATM 961 O2' AEN A 125 19.331 13.389 28.381 1.00 17.87 O HETATM 962 N3' AEN A 125 19.001 11.808 26.759 1.00 18.99 N HETATM 963 C4' AEN A 125 19.229 10.545 27.406 1.00 21.15 C HETATM 964 C5' AEN A 125 18.030 9.638 27.064 1.00 22.93 C HETATM 965 N6' AEN A 125 16.798 10.010 27.752 1.00 25.16 N HETATM 966 S AEN A 125 13.601 9.662 33.400 1.00 31.47 S HETATM 967 O1S AEN A 125 14.567 9.775 34.551 1.00 31.39 O HETATM 968 O2S AEN A 125 13.309 8.167 33.368 1.00 31.36 O HETATM 969 O3S AEN A 125 12.324 10.362 33.729 1.00 31.14 O HETATM 0 HOS3 AEN A 125 12.111 10.198 34.525 1.00 31.14 H new HETATM 0 HN'6 AEN A 125 16.181 10.442 27.336 1.00 25.16 H new HETATM 0 HN'3 AEN A 125 18.854 11.776 25.912 1.00 18.99 H new HETATM 0 H5'2 AEN A 125 17.877 9.665 26.107 1.00 22.93 H new HETATM 0 H5'1 AEN A 125 18.253 8.721 27.290 1.00 22.93 H new HETATM 0 H4'2 AEN A 125 20.059 10.147 27.099 1.00 21.15 H new HETATM 0 H4'1 AEN A 125 19.309 10.661 28.366 1.00 21.15 H new HETATM 0 H1'3 AEN A 125 17.758 14.634 27.101 1.00 15.75 H new HETATM 0 H1'1 AEN A 125 18.198 14.024 25.707 1.00 15.75 H new HETATM 0 H8 AEN A 125 16.103 8.765 32.727 1.00 28.41 H new HETATM 0 H7 AEN A 125 18.116 8.185 31.637 1.00 28.11 H new HETATM 0 H6 AEN A 125 18.440 8.696 29.354 1.00 27.31 H new HETATM 0 H4 AEN A 125 14.612 10.877 28.077 1.00 29.80 H new HETATM 0 H3 AEN A 125 12.561 11.486 29.104 1.00 29.47 H new HETATM 0 H2 AEN A 125 12.199 11.002 31.393 1.00 29.94 H new HETATM 970 O HOH A 129 24.696 1.670 29.829 1.00 20.90 O HETATM 971 O HOH A 130 31.546 19.824 45.135 1.00 18.63 O HETATM 972 O HOH A 131 27.706 11.137 29.641 1.00 12.41 O HETATM 973 O HOH A 132 33.664 24.313 29.302 1.00 14.06 O HETATM 974 O HOH A 133 16.393 26.321 14.168 1.00 12.69 O HETATM 975 O HOH A 134 26.726 5.534 33.226 1.00 19.12 O HETATM 976 O HOH A 135 30.804 18.402 21.153 1.00 19.22 O HETATM 977 O HOH A 136 17.688 33.837 26.387 1.00 30.07 O HETATM 978 O HOH A 137 21.152 8.242 28.576 1.00 12.31 O HETATM 979 O HOH A 138 23.506 25.889 46.701 1.00 24.78 O HETATM 980 O HOH A 139 31.730 22.205 35.802 1.00 14.93 O HETATM 981 O HOH A 140 36.588 17.538 27.840 1.00 17.63 O HETATM 982 O HOH A 141 14.950 29.998 15.786 1.00 10.17 O HETATM 983 O HOH A 142 29.691 24.614 37.540 1.00 18.66 O HETATM 984 O HOH A 143 35.117 18.362 25.222 1.00 16.53 O HETATM 985 O HOH A 144 18.400 33.149 21.071 1.00 20.66 O HETATM 986 O HOH A 145 14.335 32.116 18.979 1.00 16.13 O HETATM 987 O HOH A 146 28.503 16.693 45.780 1.00 31.89 O HETATM 988 O HOH A 147 30.222 10.996 29.671 1.00 19.39 O HETATM 989 O HOH A 148 27.507 3.240 22.919 1.00 13.68 O HETATM 990 O HOH A 149 31.490 25.227 32.657 1.00 24.51 O HETATM 991 O HOH A 150 18.059 13.475 11.987 1.00 25.54 O HETATM 992 O HOH A 151 22.915 27.131 41.391 1.00 28.84 O HETATM 993 O HOH A 152 16.942 33.188 28.771 1.00 28.28 O HETATM 994 O HOH A 153 24.343 33.121 25.958 1.00 22.43 O HETATM 995 O HOH A 154 27.434 22.989 16.224 1.00 25.72 O HETATM 996 O HOH A 155 29.833 5.106 33.308 1.00 24.91 O HETATM 997 O HOH A 156 27.761 4.957 20.560 1.00 24.00 O HETATM 998 O HOH A 157 29.650 19.208 17.849 1.00 32.42 O HETATM 999 O HOH A 158 31.581 25.026 35.505 1.00 22.26 O HETATM 1000 O HOH A 159 26.550 4.330 30.274 1.00 21.21 O HETATM 1001 O HOH A 160 3.255 30.784 17.295 1.00 26.09 O HETATM 1002 O HOH A 161 21.327 34.285 29.037 1.00 23.69 O HETATM 1003 O HOH A 162 32.463 14.384 38.814 1.00 34.16 O HETATM 1004 O HOH A 163 28.932 13.003 43.527 1.00 27.80 O HETATM 1005 O HOH A 164 15.730 11.502 36.507 1.00 35.57 O HETATM 1006 O HOH A 165 35.784 16.599 34.680 1.00 31.14 O HETATM 1007 O HOH A 166 19.738 6.540 28.275 1.00 42.59 O HETATM 1008 O HOH A 167 28.052 9.296 21.988 1.00 30.00 O HETATM 1009 O HOH A 168 22.476 19.176 9.654 1.00 30.54 O HETATM 1010 O HOH A 169 25.144 20.052 9.741 1.00 32.98 O HETATM 1011 O HOH A 170 24.848 4.677 40.095 1.00 27.05 O HETATM 1012 O HOH A 171 14.395 22.866 31.579 1.00 42.17 O HETATM 1013 O HOH A 172 22.533 16.478 50.050 1.00 36.16 O HETATM 1014 O HOH A 173 23.467 7.970 42.591 1.00 24.97 O HETATM 1015 O HOH A 174 13.039 6.114 31.507 1.00 66.25 O HETATM 1016 O HOH A 175 15.802 9.460 23.103 1.00 53.36 O HETATM 1017 O HOH A 176 31.519 11.879 38.823 1.00 43.64 O HETATM 1018 O HOH A 177 15.135 13.354 26.415 1.00 31.03 O HETATM 1019 O HOH A 178 30.816 5.926 30.841 1.00 30.46 O HETATM 1020 O HOH A 179 32.597 25.379 24.154 1.00 33.64 O HETATM 1021 O HOH A 180 30.631 28.056 33.263 1.00 26.12 O HETATM 1022 O HOH A 181 16.719 10.059 37.806 1.00 30.59 O HETATM 1023 O HOH A 182 32.075 29.170 31.720 1.00 37.12 O HETATM 1024 O HOH A 183 15.651 20.497 28.765 1.00 62.48 O HETATM 1025 O HOH A 184 36.211 21.155 24.395 1.00 30.40 O HETATM 1026 O HOH A 185 17.730 9.322 19.186 1.00 14.33 O HETATM 1027 O HOH A 186 36.124 14.353 29.645 1.00 33.09 O HETATM 1028 O HOH A 187 25.063 6.618 17.947 1.00 17.89 O HETATM 1029 O HOH A 188 15.515 19.774 11.410 1.00 40.94 O HETATM 1030 O HOH A 189 31.435 18.989 18.978 1.00 22.03 O HETATM 1031 O HOH A 190 5.466 31.313 14.731 1.00 18.90 O HETATM 1032 O HOH A 191 31.719 8.577 30.005 1.00 26.59 O HETATM 1033 O HOH A 192 24.505 3.633 33.362 1.00 42.98 O HETATM 1034 O HOH A 193 22.436 7.438 40.170 1.00 37.35 O HETATM 1035 O HOH A 194 22.969 16.631 8.527 1.00 32.12 O HETATM 1036 O HOH A 195 20.051 3.243 24.571 1.00 67.75 O HETATM 1037 O HOH A 196 13.190 14.034 9.087 1.00 50.64 O HETATM 1038 O HOH A 197 19.836 4.566 31.953 1.00 49.55 O HETATM 1039 O HOH A 198 31.686 29.421 18.540 1.00 37.29 O HETATM 1040 O HOH A 199 16.753 24.643 40.924 1.00 27.17 O HETATM 1041 O HOH A 200 37.779 9.205 29.958 1.00 44.80 O HETATM 1042 O HOH A 201 34.158 22.304 37.286 1.00 34.70 O HETATM 1043 O HOH A 202 16.573 13.176 35.414 1.00 23.80 O HETATM 1044 O HOH A 203 30.034 8.689 22.655 1.00 30.24 O HETATM 1045 O HOH A 204 6.918 15.510 17.734 1.00 31.28 O HETATM 1046 O HOH A 205 25.974 13.275 46.996 1.00 52.95 O HETATM 1047 O HOH A 206 33.460 11.392 35.147 1.00 36.01 O HETATM 1048 O HOH A 207 0.938 27.252 15.846 1.00 34.75 O HETATM 1049 O HOH A 208 34.399 9.118 31.271 1.00 33.93 O HETATM 1050 O HOH A 209 33.971 24.700 36.436 1.00 27.24 O HETATM 1051 O HOH A 210 24.260 10.892 8.219 1.00 39.00 O HETATM 1052 O HOH A 211 26.817 24.360 14.471 1.00 40.13 O HETATM 1053 O HOH A 212 11.789 15.444 23.919 1.00 39.12 O HETATM 1054 O HOH A 213 31.481 12.159 36.207 1.00 35.01 O HETATM 1055 O HOH A 214 17.623 9.322 34.683 1.00 44.27 O HETATM 1056 O HOH A 215 27.268 35.525 28.107 1.00 43.32 O HETATM 1057 O HOH A 216 7.798 14.076 40.452 1.00 44.01 O HETATM 1058 O HOH A 217 21.100 12.736 9.728 1.00 52.49 O HETATM 1059 O HOH A 218 27.524 -0.884 23.886 1.00 46.55 O HETATM 1060 O HOH A 219 26.728 7.677 20.550 1.00 20.33 O HETATM 1061 O HOH A 220 5.300 28.261 16.320 1.00 24.51 O HETATM 1062 O HOH A 221 19.112 7.471 36.720 1.00 37.64 O HETATM 1063 O HOH A 222 27.842 31.105 31.275 1.00 27.03 O HETATM 1064 O HOH A 223 16.946 34.949 23.670 1.00 49.38 O HETATM 1065 O HOH A 224 7.107 14.036 14.812 1.00 33.31 O HETATM 1066 O HOH A 225 24.134 24.558 42.340 1.00 32.17 O HETATM 1067 O HOH A 226 13.843 27.362 21.889 1.00 14.19 O HETATM 1068 O HOH A 227 36.641 20.522 34.477 1.00 57.60 O HETATM 1069 O HOH A 228 27.215 32.576 26.136 1.00 44.02 O HETATM 1070 O HOH A 229 27.225 21.787 8.798 1.00 38.54 O HETATM 1071 O HOH A 230 34.752 10.088 33.290 1.00 43.24 O HETATM 1072 O HOH A 231 13.442 13.817 46.560 1.00 40.92 O HETATM 1073 O HOH A 232 24.171 0.111 22.667 1.00 18.43 O CONECT 90 959 CONECT 185 635 CONECT 301 720 CONECT 437 835 CONECT 488 539 CONECT 539 488 CONECT 635 185 CONECT 720 301 CONECT 835 437 CONECT 949 950 957 966 CONECT 950 949 951 CONECT 951 950 952 CONECT 952 951 958 CONECT 953 954 958 965 CONECT 954 953 955 CONECT 955 954 956 CONECT 956 955 957 CONECT 957 949 956 958 CONECT 958 952 953 957 CONECT 959 90 960 CONECT 960 959 961 962 CONECT 961 960 CONECT 962 960 963 CONECT 963 962 964 CONECT 964 963 965 CONECT 965 953 964 CONECT 966 949 967 968 969 CONECT 967 966 CONECT 968 966 CONECT 969 966 END