USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE(O-GLYCOSYL) 27-MAR-92 1LHJ TITLE ROLE OF PROLINE RESIDUES IN HUMAN LYSOZYME STABILITY: A TITLE 2 SCANNING CALORIMETRIC STUDY COMBINED WITH X-RAY STRUCTURE TITLE 3 ANALYSIS OF PROLINE MUTANTS COMPND MOL_ID: 1; COMPND 2 MOLECULE: HUMAN LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS HYDROLASE(O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR K.INAKA,M.MATSUSHIMA,T.HERNING,R.KUROKI,K.YUTANI,M.KIKUCHI REVDAT 2 24-FEB-09 1LHJ 1 VERSN REVDAT 1 31-JAN-94 1LHJ 0 JRNL AUTH T.HERNING,K.YUTANI,K.INAKA,R.KUROKI,M.MATSUSHIMA, JRNL AUTH 2 M.KIKUCHI JRNL TITL ROLE OF PROLINE RESIDUES IN HUMAN LYSOZYME JRNL TITL 2 STABILITY: A SCANNING CALORIMETRIC STUDY COMBINED JRNL TITL 3 WITH X-RAY STRUCTURE ANALYSIS OF PROLINE MUTANTS. JRNL REF BIOCHEMISTRY V. 31 7077 1992 JRNL REFN ISSN 0006-2960 JRNL PMID 1643041 JRNL DOI 10.1021/BI00146A008 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.INAKA,R.KUROKI,M.KIKUCHI,M.MATSUSHIMA REMARK 1 TITL CRYSTAL STRUCTURES OF THE APO-AND HOLOMUTANT HUMAN REMARK 1 TITL 2 LYSOZYMES WITH AN INTRODUCED CA BINDING SITE REMARK 1 REF J.BIOL.CHEM. V. 266 20666 1991 REMARK 1 REFN ISSN 0021-9258 REMARK 1 REFERENCE 2 REMARK 1 AUTH T.HERNING,K.YUTANI,Y.TANIYAMA,M.KIKUCHI REMARK 1 TITL EFFECTS OF PROLINE MUTATIONS ON THE UNFOLDING AND REMARK 1 TITL 2 REFOLDING OF HUMAN LYSOZYME: THE SLOW REFOLDING REMARK 1 TITL 3 KINITICS PHASE DOES NOT RESULT FROM PROLINE REMARK 1 TITL 4 CIS-TRANS ISOMERIZATION REMARK 1 REF BIOCHEMISTRY V. 30 9882 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH T.HERNING,K.YUTANI,K.INAKA,R.KUROKI,M.MATSUSHIMA, REMARK 1 AUTH 2 M.KIKUCHI REMARK 1 TITL ROLE OF PROLINE RESIDUES IN HUMAN LYSOZYME REMARK 1 TITL 2 STABILITY: A SCANNING CALORIMETRIC STUDY COMBINED REMARK 1 TITL 3 WITH X-RAY STRUCTURE ANALYSIS OF PROLINE MUTANTS REMARK 1 REF BIOCHEMISTRY V. 31 7077 1992 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. 1.80 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 5.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 9358 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.152 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1026 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 128 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) : 0.017 ; 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: NULL REMARK 4 REMARK 4 1LHJ 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 (%): 38.23 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.99 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 28.23000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.92000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.60500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.92000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.23000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.60500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 NH1 ARG A 115 O HOH A 200 1.82 REMARK 500 O VAL A 74 O HOH A 233 2.04 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 O HOH A 203 O HOH A 215 4457 1.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLU A 7 CG - CD - OE2 ANGL. DEV. = -12.2 DEGREES REMARK 500 ARG A 14 CD - NE - CZ ANGL. DEV. = 11.0 DEGREES REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 8.9 DEGREES REMARK 500 ARG A 21 NE - CZ - NH1 ANGL. DEV. = -4.7 DEGREES REMARK 500 ARG A 41 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 ARG A 98 CD - NE - CZ ANGL. DEV. = 35.4 DEGREES REMARK 500 ARG A 101 NE - CZ - NH1 ANGL. DEV. = 5.0 DEGREES REMARK 500 ARG A 101 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES REMARK 500 GLY A 103 C - N - CA ANGL. DEV. = 13.0 DEGREES REMARK 500 ARG A 113 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES REMARK 500 ARG A 115 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 ARG A 115 NE - CZ - NH2 ANGL. DEV. = -4.9 DEGREES REMARK 500 ASP A 120 CB - CG - OD2 ANGL. DEV. = -7.1 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 ARG A 101 9.41 -63.13 REMARK 500 GLN A 104 -39.69 -140.55 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 131 DISTANCE = 6.55 ANGSTROMS DBREF 1LHJ A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 1LHJ GLY A 103 UNP P61626 PRO 121 CONFLICT SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP GLY GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL FORMUL 2 HOH *128(H2 O) HELIX 1 A ARG A 5 ARG A 14 1 10 HELIX 2 B LEU A 25 GLU A 35 1 11 HELIX 3 E SER A 80 LEU A 85 5 6 HELIX 4 C ALA A 90 VAL A 99 1 10 HELIX 5 D VAL A 110 CYS A 116 1 7 SHEET 1 A 2 LYS A 1 PHE A 3 0 SHEET 2 A 2 TYR A 38 THR A 40 -1 N THR A 40 O LYS A 1 SHEET 1 B 3 ALA A 42 ASN A 46 0 SHEET 2 B 3 SER A 51 GLY A 55 -1 N GLY A 55 O ALA A 42 SHEET 3 B 3 ILE A 59 SER A 61 -1 N SER A 61 O THR A 52 SSBOND *** CYS A 6 CYS A 128 1555 1555 2.03 SSBOND *** CYS A 30 CYS A 116 1555 1555 2.06 SSBOND *** CYS A 65 CYS A 81 1555 1555 2.01 SSBOND *** CYS A 77 CYS A 95 1555 1555 2.03 CRYST1 56.460 61.210 33.840 90.00 90.00 90.00 P 21 21 21 4 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 0.017712 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016337 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029551 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 145:sc= 1.57 USER MOD Set 1.2: A 70 THR OG1 : rot 79:sc= 2.36 USER MOD Set 2.1: A 44 ASN :FLIP amide:sc= -0.182 F(o=4.1,f=4.8) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.0217 K(o=4.8,f=4) USER MOD Set 2.3: A 51 SER OG : rot -79:sc= 1.81 USER MOD Set 2.4: A 60 ASN : amide:sc= 3.19 K(o=4.8,f=-1.7!) USER MOD Set 3.1: A 29 MET CE :methyl -159:sc= -0.215 (180deg=-1) USER MOD Set 3.2: A 38 TYR OH : rot 180:sc= 1.09 USER MOD Set 4.1: A 24 SER OG : rot 166:sc= 0.626 USER MOD Set 4.2: A 27 ASN : amide:sc= 1.61 K(o=2.2,f=-1.2!) USER MOD Set 5.1: A 1 LYS N :NH3+ -179:sc= 3.1 (180deg=2.42) USER MOD Set 5.2: A 40 THR OG1 : rot 115:sc= 1.25 USER MOD Single : A 1 LYS NZ :NH3+ -170:sc= 0.531 (180deg=0.488) USER MOD Single : A 11 THR OG1 : rot 77:sc= 0.677 USER MOD Single : A 13 LYS NZ :NH3+ 143:sc= -0.0588 (180deg=-0.699) USER MOD Single : A 17 MET CE :methyl 173:sc= -0.843 (180deg=-1.02) USER MOD Single : A 20 TYR OH : rot 30:sc= 0.42 USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 0.758 (180deg=0.558) USER MOD Single : A 36 SER OG : rot -107:sc= 0.781 USER MOD Single : A 39 ASN : amide:sc= 1.2 K(o=1.2,f=-5.3!) USER MOD Single : A 43 THR OG1 : rot 113:sc= 1.25 USER MOD Single : A 45 TYR OH : rot 180:sc= 1.3 USER MOD Single : A 52 THR OG1 : rot 90:sc= 2.16 USER MOD Single : A 54 TYR OH : rot -168:sc= 2.27 USER MOD Single : A 58 GLN : amide:sc= 1.38 K(o=1.4,f=0.84) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.0239 K(o=0.024,f=-0.59) USER MOD Single : A 69 LYS NZ :NH3+ 143:sc= 0.204 (180deg=0.00452) USER MOD Single : A 75 ASN : amide:sc= 0.968 K(o=0.97,f=-4.6!) USER MOD Single : A 78 HIS : no HD1:sc= 1.71 K(o=1.7,f=-7.4!) USER MOD Single : A 80 SER OG : rot 180:sc= 0.133 USER MOD Single : A 82 SER OG : rot -21:sc= 0.466 USER MOD Single : A 86 GLN : amide:sc= 1.37 K(o=1.4,f=-0.33) USER MOD Single : A 88 ASN : amide:sc= 0.418 K(o=0.42,f=-5.4!) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 2.88 (180deg=2.71) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 117 GLN :FLIP amide:sc= 0.312 F(o=-0.3,f=0.31) USER MOD Single : A 118 ASN :FLIP amide:sc=-0.000658 F(o=-0.78,f=-0.00066) USER MOD Single : A 123 GLN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : A 124 TYR OH : rot -173:sc= 2.15 USER MOD Single : A 126 GLN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.818 19.582 23.338 1.00 11.97 N ATOM 2 CA LYS A 1 1.403 20.465 22.267 1.00 11.11 C ATOM 3 C LYS A 1 2.676 19.863 21.671 1.00 11.19 C ATOM 4 O LYS A 1 3.474 19.214 22.397 1.00 10.41 O ATOM 5 CB LYS A 1 1.693 21.816 22.869 1.00 12.39 C ATOM 6 CG LYS A 1 2.762 22.666 22.250 1.00 14.64 C ATOM 7 CD LYS A 1 2.939 23.961 23.056 1.00 15.11 C ATOM 8 CE LYS A 1 4.053 24.776 22.380 1.00 17.75 C ATOM 9 NZ LYS A 1 3.876 26.180 22.782 1.00 21.18 N ATOM 0 H1 LYS A 1 0.073 19.952 23.654 1.00 11.97 H new ATOM 0 H2 LYS A 1 0.630 18.783 22.994 1.00 11.97 H new ATOM 0 H3 LYS A 1 1.406 19.489 24.000 1.00 11.97 H new ATOM 0 HA LYS A 1 0.763 20.549 21.543 1.00 11.11 H new ATOM 0 HB2 LYS A 1 0.868 22.326 22.857 1.00 12.39 H new ATOM 0 HB3 LYS A 1 1.929 21.679 23.800 1.00 12.39 H new ATOM 0 HG2 LYS A 1 3.599 22.177 22.223 1.00 14.64 H new ATOM 0 HG3 LYS A 1 2.527 22.877 21.333 1.00 14.64 H new ATOM 0 HD2 LYS A 1 2.111 24.466 23.077 1.00 15.11 H new ATOM 0 HD3 LYS A 1 3.172 23.761 23.976 1.00 15.11 H new ATOM 0 HE2 LYS A 1 4.926 24.451 22.650 1.00 17.75 H new ATOM 0 HE3 LYS A 1 4.003 24.688 21.415 1.00 17.75 H new ATOM 0 HZ1 LYS A 1 4.413 26.698 22.296 1.00 21.18 H new ATOM 0 HZ2 LYS A 1 3.030 26.423 22.649 1.00 21.18 H new ATOM 0 HZ3 LYS A 1 4.078 26.270 23.644 1.00 21.18 H new ATOM 10 N VAL A 2 2.793 20.075 20.348 1.00 9.79 N ATOM 11 CA VAL A 2 3.992 19.617 19.639 1.00 10.31 C ATOM 12 C VAL A 2 4.833 20.890 19.397 1.00 10.71 C ATOM 13 O VAL A 2 4.331 21.712 18.602 1.00 10.80 O ATOM 14 CB VAL A 2 3.669 18.833 18.340 1.00 10.43 C ATOM 15 CG1 VAL A 2 4.917 18.567 17.522 1.00 11.77 C ATOM 16 CG2 VAL A 2 2.956 17.526 18.607 1.00 11.72 C ATOM 0 H VAL A 2 2.206 20.470 19.859 1.00 9.79 H new ATOM 0 HA VAL A 2 4.487 18.968 20.164 1.00 10.31 H new ATOM 0 HB VAL A 2 3.070 19.404 17.833 1.00 10.43 H new ATOM 0 HG11 VAL A 2 4.680 18.077 16.719 1.00 11.77 H new ATOM 0 HG12 VAL A 2 5.328 19.410 17.276 1.00 11.77 H new ATOM 0 HG13 VAL A 2 5.543 18.044 18.047 1.00 11.77 H new ATOM 0 HG21 VAL A 2 2.778 17.077 17.766 1.00 11.72 H new ATOM 0 HG22 VAL A 2 3.514 16.960 19.163 1.00 11.72 H new ATOM 0 HG23 VAL A 2 2.118 17.702 19.063 1.00 11.72 H new ATOM 17 N PHE A 3 5.966 21.056 20.058 1.00 9.52 N ATOM 18 CA PHE A 3 6.795 22.253 19.796 1.00 10.41 C ATOM 19 C PHE A 3 7.559 22.135 18.477 1.00 10.47 C ATOM 20 O PHE A 3 7.900 21.084 17.968 1.00 9.02 O ATOM 21 CB PHE A 3 7.873 22.398 20.900 1.00 10.64 C ATOM 22 CG PHE A 3 7.434 22.943 22.225 1.00 9.89 C ATOM 23 CD1 PHE A 3 7.672 24.302 22.507 1.00 11.82 C ATOM 24 CD2 PHE A 3 6.819 22.149 23.185 1.00 9.97 C ATOM 25 CE1 PHE A 3 7.307 24.847 23.729 1.00 9.97 C ATOM 26 CE2 PHE A 3 6.425 22.682 24.413 1.00 11.51 C ATOM 27 CZ PHE A 3 6.677 24.044 24.671 1.00 13.20 C ATOM 0 H PHE A 3 6.278 20.513 20.648 1.00 9.52 H new ATOM 0 HA PHE A 3 6.189 23.010 19.771 1.00 10.41 H new ATOM 0 HB2 PHE A 3 8.267 21.525 21.051 1.00 10.64 H new ATOM 0 HB3 PHE A 3 8.577 22.971 20.558 1.00 10.64 H new ATOM 0 HD1 PHE A 3 8.079 24.840 21.867 1.00 11.82 H new ATOM 0 HD2 PHE A 3 6.668 21.249 23.007 1.00 9.97 H new ATOM 0 HE1 PHE A 3 7.482 25.741 23.916 1.00 9.97 H new ATOM 0 HE2 PHE A 3 6.004 22.149 25.048 1.00 11.51 H new ATOM 0 HZ PHE A 3 6.417 24.411 25.485 1.00 13.20 H new ATOM 28 N GLU A 4 7.845 23.321 17.881 1.00 10.81 N ATOM 29 CA GLU A 4 8.701 23.434 16.700 1.00 11.23 C ATOM 30 C GLU A 4 10.088 23.512 17.377 1.00 10.18 C ATOM 31 O GLU A 4 10.147 23.976 18.543 1.00 9.35 O ATOM 32 CB GLU A 4 8.523 24.683 15.865 1.00 17.94 C ATOM 33 CG GLU A 4 7.052 25.063 15.708 1.00 26.14 C ATOM 34 CD GLU A 4 6.508 25.016 14.311 1.00 30.85 C ATOM 35 OE1 GLU A 4 6.108 26.070 13.806 1.00 33.88 O ATOM 36 OE2 GLU A 4 6.506 23.856 13.822 1.00 34.22 O ATOM 0 H GLU A 4 7.541 24.075 18.162 1.00 10.81 H new ATOM 0 HA GLU A 4 8.525 22.714 16.075 1.00 11.23 H new ATOM 0 HB2 GLU A 4 9.004 25.418 16.277 1.00 17.94 H new ATOM 0 HB3 GLU A 4 8.915 24.544 14.989 1.00 17.94 H new ATOM 0 HG2 GLU A 4 6.522 24.470 16.263 1.00 26.14 H new ATOM 0 HG3 GLU A 4 6.929 25.961 16.054 1.00 26.14 H new ATOM 37 N ARG A 5 11.063 23.048 16.665 1.00 9.24 N ATOM 38 CA ARG A 5 12.439 22.990 17.172 1.00 9.66 C ATOM 39 C ARG A 5 12.922 24.302 17.822 1.00 10.30 C ATOM 40 O ARG A 5 13.272 24.328 19.009 1.00 8.13 O ATOM 41 CB ARG A 5 13.355 22.627 15.980 1.00 9.85 C ATOM 42 CG ARG A 5 14.802 22.352 16.375 1.00 10.70 C ATOM 43 CD ARG A 5 15.604 21.890 15.194 1.00 12.26 C ATOM 44 NE ARG A 5 15.596 22.838 14.092 1.00 12.46 N ATOM 45 CZ ARG A 5 16.534 23.757 13.884 1.00 15.59 C ATOM 46 NH1 ARG A 5 16.484 24.573 12.838 1.00 16.45 N ATOM 47 NH2 ARG A 5 17.579 23.941 14.710 1.00 16.26 N ATOM 0 H ARG A 5 10.969 22.749 15.864 1.00 9.24 H new ATOM 0 HA ARG A 5 12.472 22.325 17.877 1.00 9.66 H new ATOM 0 HB2 ARG A 5 12.996 21.844 15.534 1.00 9.85 H new ATOM 0 HB3 ARG A 5 13.337 23.353 15.337 1.00 9.85 H new ATOM 0 HG2 ARG A 5 15.198 23.157 16.744 1.00 10.70 H new ATOM 0 HG3 ARG A 5 14.828 21.677 17.072 1.00 10.70 H new ATOM 0 HD2 ARG A 5 16.520 21.735 15.473 1.00 12.26 H new ATOM 0 HD3 ARG A 5 15.254 21.040 14.885 1.00 12.26 H new ATOM 0 HE ARG A 5 14.940 22.802 13.537 1.00 12.46 H new ATOM 0 HH11 ARG A 5 15.835 24.514 12.277 1.00 16.45 H new ATOM 0 HH12 ARG A 5 17.101 25.161 12.721 1.00 16.45 H new ATOM 0 HH21 ARG A 5 17.664 23.452 15.412 1.00 16.26 H new ATOM 0 HH22 ARG A 5 18.163 24.548 14.536 1.00 16.26 H new ATOM 48 N CYS A 6 12.997 25.387 17.023 1.00 8.66 N ATOM 49 CA CYS A 6 13.514 26.650 17.621 1.00 9.01 C ATOM 50 C CYS A 6 12.710 27.228 18.747 1.00 9.59 C ATOM 51 O CYS A 6 13.310 27.825 19.698 1.00 7.54 O ATOM 52 CB CYS A 6 13.890 27.649 16.514 1.00 9.61 C ATOM 53 SG CYS A 6 15.300 27.039 15.533 1.00 11.24 S ATOM 0 H CYS A 6 12.773 25.421 16.193 1.00 8.66 H new ATOM 0 HA CYS A 6 14.327 26.411 18.093 1.00 9.01 H new ATOM 0 HB2 CYS A 6 13.127 27.795 15.933 1.00 9.61 H new ATOM 0 HB3 CYS A 6 14.114 28.506 16.910 1.00 9.61 H new ATOM 54 N GLU A 7 11.392 27.056 18.666 1.00 9.17 N ATOM 55 CA GLU A 7 10.517 27.557 19.763 1.00 9.70 C ATOM 56 C GLU A 7 10.902 26.873 21.069 1.00 9.18 C ATOM 57 O GLU A 7 11.033 27.458 22.138 1.00 9.08 O ATOM 58 CB GLU A 7 9.080 27.255 19.428 1.00 11.52 C ATOM 59 CG GLU A 7 7.926 27.645 20.316 1.00 16.96 C ATOM 60 CD GLU A 7 6.647 26.850 20.120 1.00 19.96 C ATOM 61 OE1 GLU A 7 6.495 25.853 19.376 1.00 19.56 O ATOM 62 OE2 GLU A 7 5.798 27.348 20.918 1.00 20.31 O ATOM 0 H GLU A 7 10.984 26.669 18.016 1.00 9.17 H new ATOM 0 HA GLU A 7 10.628 28.516 19.862 1.00 9.70 H new ATOM 0 HB2 GLU A 7 8.909 27.659 18.563 1.00 11.52 H new ATOM 0 HB3 GLU A 7 9.022 26.294 19.309 1.00 11.52 H new ATOM 0 HG2 GLU A 7 8.205 27.554 21.240 1.00 16.96 H new ATOM 0 HG3 GLU A 7 7.730 28.584 20.170 1.00 16.96 H new ATOM 63 N LEU A 8 11.076 25.534 21.003 1.00 7.81 N ATOM 64 CA LEU A 8 11.431 24.785 22.221 1.00 7.48 C ATOM 65 C LEU A 8 12.808 25.188 22.713 1.00 5.00 C ATOM 66 O LEU A 8 13.001 25.296 23.920 1.00 6.83 O ATOM 67 CB LEU A 8 11.341 23.251 21.896 1.00 7.81 C ATOM 68 CG LEU A 8 11.840 22.359 23.013 1.00 8.82 C ATOM 69 CD1 LEU A 8 10.999 22.460 24.291 1.00 8.74 C ATOM 70 CD2 LEU A 8 11.915 20.885 22.571 1.00 8.68 C ATOM 0 H LEU A 8 10.996 25.061 20.289 1.00 7.81 H new ATOM 0 HA LEU A 8 10.813 24.990 22.940 1.00 7.48 H new ATOM 0 HB2 LEU A 8 10.418 23.024 21.700 1.00 7.81 H new ATOM 0 HB3 LEU A 8 11.855 23.068 21.094 1.00 7.81 H new ATOM 0 HG LEU A 8 12.731 22.683 23.218 1.00 8.82 H new ATOM 0 HD11 LEU A 8 11.365 21.869 24.967 1.00 8.74 H new ATOM 0 HD12 LEU A 8 11.015 23.373 24.618 1.00 8.74 H new ATOM 0 HD13 LEU A 8 10.084 22.202 24.098 1.00 8.74 H new ATOM 0 HD21 LEU A 8 12.237 20.342 23.307 1.00 8.68 H new ATOM 0 HD22 LEU A 8 11.032 20.581 22.308 1.00 8.68 H new ATOM 0 HD23 LEU A 8 12.523 20.803 21.819 1.00 8.68 H new ATOM 71 N ALA A 9 13.744 25.399 21.823 1.00 6.47 N ATOM 72 CA ALA A 9 15.141 25.737 22.179 1.00 7.51 C ATOM 73 C ALA A 9 15.170 27.045 23.000 1.00 8.50 C ATOM 74 O ALA A 9 15.881 27.118 24.026 1.00 8.21 O ATOM 75 CB ALA A 9 16.012 25.821 20.941 1.00 9.27 C ATOM 0 H ALA A 9 13.605 25.354 20.975 1.00 6.47 H new ATOM 0 HA ALA A 9 15.509 25.029 22.731 1.00 7.51 H new ATOM 0 HB1 ALA A 9 16.920 26.043 21.199 1.00 9.27 H new ATOM 0 HB2 ALA A 9 16.006 24.966 20.482 1.00 9.27 H new ATOM 0 HB3 ALA A 9 15.667 26.508 20.349 1.00 9.27 H new ATOM 76 N ARG A 10 14.395 27.985 22.505 1.00 8.27 N ATOM 77 CA ARG A 10 14.307 29.301 23.204 1.00 8.44 C ATOM 78 C ARG A 10 13.606 29.131 24.525 1.00 7.76 C ATOM 79 O ARG A 10 14.016 29.817 25.493 1.00 7.68 O ATOM 80 CB ARG A 10 13.637 30.369 22.322 1.00 6.25 C ATOM 81 CG ARG A 10 14.561 30.743 21.156 1.00 8.22 C ATOM 82 CD ARG A 10 14.016 31.874 20.332 1.00 10.81 C ATOM 83 NE ARG A 10 12.701 31.529 19.740 1.00 10.69 N ATOM 84 CZ ARG A 10 12.633 31.126 18.448 1.00 8.93 C ATOM 85 NH1 ARG A 10 11.470 30.914 17.888 1.00 10.59 N ATOM 86 NH2 ARG A 10 13.737 31.011 17.719 1.00 9.68 N ATOM 0 H ARG A 10 13.918 27.910 21.793 1.00 8.27 H new ATOM 0 HA ARG A 10 15.206 29.622 23.379 1.00 8.44 H new ATOM 0 HB2 ARG A 10 12.793 30.034 21.981 1.00 6.25 H new ATOM 0 HB3 ARG A 10 13.437 31.157 22.851 1.00 6.25 H new ATOM 0 HG2 ARG A 10 15.432 30.990 21.504 1.00 8.22 H new ATOM 0 HG3 ARG A 10 14.692 29.967 20.589 1.00 8.22 H new ATOM 0 HD2 ARG A 10 13.925 32.665 20.886 1.00 10.81 H new ATOM 0 HD3 ARG A 10 14.643 32.093 19.625 1.00 10.81 H new ATOM 0 HE ARG A 10 11.986 31.584 20.214 1.00 10.69 H new ATOM 0 HH11 ARG A 10 10.748 31.030 18.340 1.00 10.59 H new ATOM 0 HH12 ARG A 10 11.428 30.658 17.068 1.00 10.59 H new ATOM 0 HH21 ARG A 10 14.502 31.193 18.066 1.00 9.68 H new ATOM 0 HH22 ARG A 10 13.686 30.755 16.900 1.00 9.68 H new ATOM 87 N THR A 11 12.607 28.282 24.567 1.00 8.12 N ATOM 88 CA THR A 11 11.866 28.015 25.834 1.00 7.96 C ATOM 89 C THR A 11 12.790 27.409 26.863 1.00 8.61 C ATOM 90 O THR A 11 12.750 27.862 28.028 1.00 8.23 O ATOM 91 CB THR A 11 10.574 27.143 25.592 1.00 9.47 C ATOM 92 OG1 THR A 11 9.768 27.880 24.653 1.00 10.06 O ATOM 93 CG2 THR A 11 9.757 26.853 26.872 1.00 9.14 C ATOM 0 H THR A 11 12.323 27.838 23.887 1.00 8.12 H new ATOM 0 HA THR A 11 11.550 28.862 26.185 1.00 7.96 H new ATOM 0 HB THR A 11 10.842 26.270 25.264 1.00 9.47 H new ATOM 0 HG1 THR A 11 10.091 27.798 23.882 1.00 10.06 H new ATOM 0 HG21 THR A 11 8.982 26.315 26.646 1.00 9.14 H new ATOM 0 HG22 THR A 11 10.310 26.372 27.507 1.00 9.14 H new ATOM 0 HG23 THR A 11 9.466 27.690 27.267 1.00 9.14 H new ATOM 94 N LEU A 12 13.586 26.418 26.427 1.00 8.28 N ATOM 95 CA LEU A 12 14.552 25.770 27.325 1.00 8.59 C ATOM 96 C LEU A 12 15.611 26.727 27.834 1.00 9.61 C ATOM 97 O LEU A 12 16.026 26.616 29.011 1.00 9.56 O ATOM 98 CB LEU A 12 15.196 24.508 26.664 1.00 7.46 C ATOM 99 CG LEU A 12 14.180 23.374 26.403 1.00 9.91 C ATOM 100 CD1 LEU A 12 14.873 22.159 25.751 1.00 11.06 C ATOM 101 CD2 LEU A 12 13.474 22.883 27.677 1.00 11.39 C ATOM 0 H LEU A 12 13.581 26.111 25.624 1.00 8.28 H new ATOM 0 HA LEU A 12 14.049 25.475 28.100 1.00 8.59 H new ATOM 0 HB2 LEU A 12 15.609 24.765 25.824 1.00 7.46 H new ATOM 0 HB3 LEU A 12 15.904 24.175 27.238 1.00 7.46 H new ATOM 0 HG LEU A 12 13.514 23.757 25.811 1.00 9.91 H new ATOM 0 HD11 LEU A 12 14.220 21.459 25.595 1.00 11.06 H new ATOM 0 HD12 LEU A 12 15.268 22.426 24.906 1.00 11.06 H new ATOM 0 HD13 LEU A 12 15.568 21.827 26.341 1.00 11.06 H new ATOM 0 HD21 LEU A 12 12.852 22.175 27.450 1.00 11.39 H new ATOM 0 HD22 LEU A 12 14.134 22.545 28.303 1.00 11.39 H new ATOM 0 HD23 LEU A 12 12.991 23.619 28.084 1.00 11.39 H new ATOM 102 N LYS A 13 16.083 27.583 26.924 1.00 9.25 N ATOM 103 CA LYS A 13 17.134 28.532 27.383 1.00 9.81 C ATOM 104 C LYS A 13 16.538 29.429 28.480 1.00 8.77 C ATOM 105 O LYS A 13 17.217 29.653 29.488 1.00 9.58 O ATOM 106 CB LYS A 13 17.616 29.417 26.223 1.00 12.36 C ATOM 107 CG LYS A 13 18.878 30.203 26.670 1.00 14.38 C ATOM 108 CD LYS A 13 19.513 30.866 25.459 1.00 19.10 C ATOM 109 CE LYS A 13 20.694 31.780 25.839 1.00 20.22 C ATOM 110 NZ LYS A 13 21.654 30.870 26.560 1.00 24.30 N ATOM 0 H LYS A 13 15.841 27.641 26.101 1.00 9.25 H new ATOM 0 HA LYS A 13 17.889 28.027 27.722 1.00 9.81 H new ATOM 0 HB2 LYS A 13 17.820 28.870 25.448 1.00 12.36 H new ATOM 0 HB3 LYS A 13 16.915 30.033 25.959 1.00 12.36 H new ATOM 0 HG2 LYS A 13 18.638 30.873 27.329 1.00 14.38 H new ATOM 0 HG3 LYS A 13 19.512 29.603 27.093 1.00 14.38 H new ATOM 0 HD2 LYS A 13 19.822 30.182 24.844 1.00 19.10 H new ATOM 0 HD3 LYS A 13 18.842 31.387 24.990 1.00 19.10 H new ATOM 0 HE2 LYS A 13 21.103 32.174 25.053 1.00 20.22 H new ATOM 0 HE3 LYS A 13 20.406 32.512 26.407 1.00 20.22 H new ATOM 0 HZ1 LYS A 13 22.490 31.095 26.352 1.00 24.30 H new ATOM 0 HZ2 LYS A 13 21.535 30.949 27.439 1.00 24.30 H new ATOM 0 HZ3 LYS A 13 21.505 30.027 26.316 1.00 24.30 H new ATOM 111 N ARG A 14 15.320 29.907 28.325 1.00 7.64 N ATOM 112 CA ARG A 14 14.738 30.786 29.380 1.00 11.42 C ATOM 113 C ARG A 14 14.549 30.090 30.711 1.00 10.69 C ATOM 114 O ARG A 14 14.588 30.741 31.757 1.00 9.62 O ATOM 115 CB ARG A 14 13.415 31.409 28.950 1.00 14.30 C ATOM 116 CG ARG A 14 13.567 32.456 27.843 1.00 20.29 C ATOM 117 CD ARG A 14 12.255 33.124 27.566 1.00 22.92 C ATOM 118 NE ARG A 14 11.115 32.242 27.465 1.00 26.50 N ATOM 119 CZ ARG A 14 10.434 31.712 26.457 1.00 27.28 C ATOM 120 NH1 ARG A 14 10.710 31.918 25.149 1.00 28.03 N ATOM 121 NH2 ARG A 14 9.399 30.917 26.814 1.00 25.76 N ATOM 0 H ARG A 14 14.811 29.754 27.649 1.00 7.64 H new ATOM 0 HA ARG A 14 15.398 31.487 29.501 1.00 11.42 H new ATOM 0 HB2 ARG A 14 12.820 30.708 28.643 1.00 14.30 H new ATOM 0 HB3 ARG A 14 12.994 31.821 29.720 1.00 14.30 H new ATOM 0 HG2 ARG A 14 14.224 33.119 28.106 1.00 20.29 H new ATOM 0 HG3 ARG A 14 13.898 32.034 27.035 1.00 20.29 H new ATOM 0 HD2 ARG A 14 12.084 33.769 28.270 1.00 22.92 H new ATOM 0 HD3 ARG A 14 12.333 33.622 26.738 1.00 22.92 H new ATOM 0 HE ARG A 14 10.808 32.007 28.233 1.00 26.50 H new ATOM 0 HH11 ARG A 14 11.368 32.424 24.923 1.00 28.03 H new ATOM 0 HH12 ARG A 14 10.228 31.543 24.544 1.00 28.03 H new ATOM 0 HH21 ARG A 14 9.224 30.787 27.646 1.00 25.76 H new ATOM 0 HH22 ARG A 14 8.916 30.542 26.209 1.00 25.76 H new ATOM 122 N LEU A 15 14.375 28.750 30.629 1.00 10.38 N ATOM 123 CA LEU A 15 14.154 27.940 31.823 1.00 10.17 C ATOM 124 C LEU A 15 15.450 27.530 32.494 1.00 10.82 C ATOM 125 O LEU A 15 15.334 26.755 33.473 1.00 11.47 O ATOM 126 CB LEU A 15 13.184 26.762 31.497 1.00 9.67 C ATOM 127 CG LEU A 15 11.744 27.197 31.232 1.00 10.48 C ATOM 128 CD1 LEU A 15 10.901 26.051 30.704 1.00 11.94 C ATOM 129 CD2 LEU A 15 11.057 27.720 32.512 1.00 10.83 C ATOM 0 H LEU A 15 14.383 28.306 29.892 1.00 10.38 H new ATOM 0 HA LEU A 15 13.711 28.481 32.495 1.00 10.17 H new ATOM 0 HB2 LEU A 15 13.517 26.287 30.719 1.00 9.67 H new ATOM 0 HB3 LEU A 15 13.192 26.135 32.237 1.00 9.67 H new ATOM 0 HG LEU A 15 11.802 27.905 30.571 1.00 10.48 H new ATOM 0 HD11 LEU A 15 9.995 26.361 30.547 1.00 11.94 H new ATOM 0 HD12 LEU A 15 11.280 25.727 29.872 1.00 11.94 H new ATOM 0 HD13 LEU A 15 10.888 25.332 31.355 1.00 11.94 H new ATOM 0 HD21 LEU A 15 10.147 27.986 32.306 1.00 10.83 H new ATOM 0 HD22 LEU A 15 11.044 27.019 33.182 1.00 10.83 H new ATOM 0 HD23 LEU A 15 11.547 28.484 32.853 1.00 10.83 H new ATOM 130 N GLY A 16 16.572 27.994 31.983 1.00 8.87 N ATOM 131 CA GLY A 16 17.862 27.742 32.609 1.00 8.90 C ATOM 132 C GLY A 16 18.498 26.390 32.322 1.00 8.97 C ATOM 133 O GLY A 16 19.340 25.971 33.148 1.00 9.20 O ATOM 0 H GLY A 16 16.613 28.464 31.264 1.00 8.87 H new ATOM 0 HA2 GLY A 16 18.479 28.435 32.325 1.00 8.90 H new ATOM 0 HA3 GLY A 16 17.757 27.831 33.569 1.00 8.90 H new ATOM 134 N MET A 17 18.154 25.818 31.189 1.00 8.87 N ATOM 135 CA MET A 17 18.697 24.444 30.886 1.00 10.13 C ATOM 136 C MET A 17 20.042 24.469 30.221 1.00 9.84 C ATOM 137 O MET A 17 20.710 23.400 30.173 1.00 10.54 O ATOM 138 CB MET A 17 17.682 23.673 30.024 1.00 9.50 C ATOM 139 CG MET A 17 16.400 23.439 30.810 1.00 14.45 C ATOM 140 SD MET A 17 16.802 22.032 31.910 1.00 17.25 S ATOM 141 CE MET A 17 16.183 20.673 30.874 1.00 18.79 C ATOM 0 H MET A 17 17.638 26.159 30.592 1.00 8.87 H new ATOM 0 HA MET A 17 18.827 23.993 31.735 1.00 10.13 H new ATOM 0 HB2 MET A 17 17.488 24.173 29.216 1.00 9.50 H new ATOM 0 HB3 MET A 17 18.060 22.824 29.748 1.00 9.50 H new ATOM 0 HG2 MET A 17 16.147 24.226 31.318 1.00 14.45 H new ATOM 0 HG3 MET A 17 15.657 23.229 30.223 1.00 14.45 H new ATOM 0 HE1 MET A 17 16.424 19.824 31.276 1.00 18.79 H new ATOM 0 HE2 MET A 17 15.218 20.734 30.803 1.00 18.79 H new ATOM 0 HE3 MET A 17 16.577 20.735 29.990 1.00 18.79 H new ATOM 142 N ASP A 18 20.422 25.595 29.663 1.00 10.11 N ATOM 143 CA ASP A 18 21.727 25.626 28.972 1.00 11.21 C ATOM 144 C ASP A 18 22.903 25.558 29.936 1.00 11.18 C ATOM 145 O ASP A 18 23.281 26.475 30.710 1.00 10.64 O ATOM 146 CB ASP A 18 21.800 26.778 27.949 1.00 13.24 C ATOM 147 CG ASP A 18 22.986 26.625 26.999 1.00 15.25 C ATOM 148 OD1 ASP A 18 23.513 25.560 26.616 1.00 13.94 O ATOM 149 OD2 ASP A 18 23.457 27.705 26.572 1.00 17.34 O ATOM 0 H ASP A 18 19.976 26.330 29.661 1.00 10.11 H new ATOM 0 HA ASP A 18 21.803 24.813 28.449 1.00 11.21 H new ATOM 0 HB2 ASP A 18 20.977 26.807 27.436 1.00 13.24 H new ATOM 0 HB3 ASP A 18 21.870 27.623 28.419 1.00 13.24 H new ATOM 150 N GLY A 19 23.565 24.383 29.870 1.00 9.96 N ATOM 151 CA GLY A 19 24.730 24.083 30.715 1.00 10.31 C ATOM 152 C GLY A 19 24.364 23.656 32.148 1.00 10.88 C ATOM 153 O GLY A 19 25.254 23.637 33.015 1.00 10.82 O ATOM 0 H GLY A 19 23.348 23.745 29.335 1.00 9.96 H new ATOM 0 HA2 GLY A 19 25.248 23.377 30.298 1.00 10.31 H new ATOM 0 HA3 GLY A 19 25.300 24.867 30.756 1.00 10.31 H new ATOM 154 N TYR A 20 23.116 23.315 32.397 1.00 10.06 N ATOM 155 CA TYR A 20 22.624 22.873 33.718 1.00 9.97 C ATOM 156 C TYR A 20 23.397 21.583 34.033 1.00 9.57 C ATOM 157 O TYR A 20 23.337 20.632 33.240 1.00 7.88 O ATOM 158 CB TYR A 20 21.094 22.625 33.698 1.00 10.27 C ATOM 159 CG TYR A 20 20.649 22.256 35.104 1.00 10.64 C ATOM 160 CD1 TYR A 20 20.460 23.267 36.048 1.00 11.96 C ATOM 161 CD2 TYR A 20 20.488 20.941 35.515 1.00 12.28 C ATOM 162 CE1 TYR A 20 20.104 22.956 37.363 1.00 13.94 C ATOM 163 CE2 TYR A 20 20.097 20.629 36.816 1.00 12.90 C ATOM 164 CZ TYR A 20 19.915 21.633 37.732 1.00 13.49 C ATOM 165 OH TYR A 20 19.576 21.330 39.018 1.00 15.91 O ATOM 0 H TYR A 20 22.502 23.330 31.795 1.00 10.06 H new ATOM 0 HA TYR A 20 22.770 23.550 34.397 1.00 9.97 H new ATOM 0 HB2 TYR A 20 20.627 23.419 33.394 1.00 10.27 H new ATOM 0 HB3 TYR A 20 20.876 21.912 33.077 1.00 10.27 H new ATOM 0 HD1 TYR A 20 20.572 24.156 35.799 1.00 11.96 H new ATOM 0 HD2 TYR A 20 20.644 20.253 34.909 1.00 12.28 H new ATOM 0 HE1 TYR A 20 19.994 23.635 37.989 1.00 13.94 H new ATOM 0 HE2 TYR A 20 19.960 19.743 37.062 1.00 12.90 H new ATOM 0 HH TYR A 20 19.134 21.963 39.348 1.00 15.91 H new ATOM 166 N ARG A 21 24.128 21.593 35.126 1.00 10.17 N ATOM 167 CA ARG A 21 24.964 20.426 35.528 1.00 10.76 C ATOM 168 C ARG A 21 25.815 19.893 34.384 1.00 9.60 C ATOM 169 O ARG A 21 25.967 18.680 34.184 1.00 9.60 O ATOM 170 CB ARG A 21 24.163 19.301 36.161 1.00 14.20 C ATOM 171 CG ARG A 21 23.320 19.719 37.369 1.00 19.33 C ATOM 172 CD ARG A 21 24.230 19.629 38.574 1.00 26.09 C ATOM 173 NE ARG A 21 24.423 18.193 38.876 1.00 28.93 N ATOM 174 CZ ARG A 21 25.292 17.636 39.713 1.00 29.14 C ATOM 175 NH1 ARG A 21 25.201 16.319 39.840 1.00 27.84 N ATOM 176 NH2 ARG A 21 26.219 18.345 40.384 1.00 29.59 N ATOM 0 H ARG A 21 24.169 22.260 35.667 1.00 10.17 H new ATOM 0 HA ARG A 21 25.560 20.773 36.210 1.00 10.76 H new ATOM 0 HB2 ARG A 21 23.577 18.920 35.489 1.00 14.20 H new ATOM 0 HB3 ARG A 21 24.774 18.599 36.435 1.00 14.20 H new ATOM 0 HG2 ARG A 21 22.981 20.621 37.258 1.00 19.33 H new ATOM 0 HG3 ARG A 21 22.551 19.137 37.472 1.00 19.33 H new ATOM 0 HD2 ARG A 21 25.081 20.057 38.392 1.00 26.09 H new ATOM 0 HD3 ARG A 21 23.838 20.088 39.333 1.00 26.09 H new ATOM 0 HE ARG A 21 23.906 17.649 38.456 1.00 28.93 H new ATOM 0 HH11 ARG A 21 24.607 15.884 39.395 1.00 27.84 H new ATOM 0 HH12 ARG A 21 25.736 15.900 40.367 1.00 27.84 H new ATOM 0 HH21 ARG A 21 26.267 19.197 40.280 1.00 29.59 H new ATOM 0 HH22 ARG A 21 26.763 17.946 40.917 1.00 29.59 H new ATOM 177 N GLY A 22 26.368 20.782 33.574 1.00 6.90 N ATOM 178 CA GLY A 22 27.234 20.524 32.472 1.00 7.58 C ATOM 179 C GLY A 22 26.649 20.068 31.189 1.00 6.99 C ATOM 180 O GLY A 22 27.324 19.644 30.238 1.00 8.23 O ATOM 0 H GLY A 22 26.225 21.624 33.676 1.00 6.90 H new ATOM 0 HA2 GLY A 22 27.732 21.337 32.294 1.00 7.58 H new ATOM 0 HA3 GLY A 22 27.876 19.855 32.755 1.00 7.58 H new ATOM 181 N ILE A 23 25.323 20.175 31.135 1.00 8.35 N ATOM 182 CA ILE A 23 24.605 19.707 29.914 1.00 8.53 C ATOM 183 C ILE A 23 24.242 20.851 28.979 1.00 9.18 C ATOM 184 O ILE A 23 23.419 21.664 29.381 1.00 9.12 O ATOM 185 CB ILE A 23 23.307 18.896 30.317 1.00 7.61 C ATOM 186 CG1 ILE A 23 23.689 17.750 31.288 1.00 6.39 C ATOM 187 CG2 ILE A 23 22.564 18.429 29.033 1.00 7.95 C ATOM 188 CD1 ILE A 23 22.455 17.306 32.146 1.00 5.59 C ATOM 0 H ILE A 23 24.826 20.499 31.757 1.00 8.35 H new ATOM 0 HA ILE A 23 25.213 19.125 29.431 1.00 8.53 H new ATOM 0 HB ILE A 23 22.680 19.457 30.800 1.00 7.61 H new ATOM 0 HG12 ILE A 23 24.026 16.993 30.784 1.00 6.39 H new ATOM 0 HG13 ILE A 23 24.405 18.042 31.873 1.00 6.39 H new ATOM 0 HG21 ILE A 23 21.769 17.932 29.282 1.00 7.95 H new ATOM 0 HG22 ILE A 23 22.310 19.203 28.506 1.00 7.95 H new ATOM 0 HG23 ILE A 23 23.149 17.860 28.509 1.00 7.95 H new ATOM 0 HD11 ILE A 23 22.718 16.589 32.745 1.00 5.59 H new ATOM 0 HD12 ILE A 23 22.134 18.060 32.666 1.00 5.59 H new ATOM 0 HD13 ILE A 23 21.748 16.994 31.559 1.00 5.59 H new ATOM 189 N SER A 24 24.844 20.819 27.785 1.00 9.62 N ATOM 190 CA SER A 24 24.514 21.896 26.818 1.00 7.90 C ATOM 191 C SER A 24 23.081 21.733 26.319 1.00 8.89 C ATOM 192 O SER A 24 22.395 20.657 26.288 1.00 7.83 O ATOM 193 CB SER A 24 25.482 21.805 25.657 1.00 8.19 C ATOM 194 OG SER A 24 25.125 20.769 24.762 1.00 9.43 O ATOM 0 H SER A 24 25.410 20.229 27.520 1.00 9.62 H new ATOM 0 HA SER A 24 24.589 22.762 27.247 1.00 7.90 H new ATOM 0 HB2 SER A 24 25.501 22.651 25.183 1.00 8.19 H new ATOM 0 HB3 SER A 24 26.378 21.649 25.993 1.00 8.19 H new ATOM 0 HG SER A 24 25.551 20.860 24.044 1.00 9.43 H new ATOM 195 N LEU A 25 22.558 22.923 25.903 1.00 8.00 N ATOM 196 CA LEU A 25 21.230 22.966 25.332 1.00 8.43 C ATOM 197 C LEU A 25 20.974 21.954 24.199 1.00 9.13 C ATOM 198 O LEU A 25 19.869 21.351 24.172 1.00 7.49 O ATOM 199 CB LEU A 25 21.028 24.435 24.829 1.00 9.72 C ATOM 200 CG LEU A 25 19.574 24.659 24.477 1.00 12.83 C ATOM 201 CD1 LEU A 25 18.626 24.459 25.653 1.00 12.85 C ATOM 202 CD2 LEU A 25 19.425 26.119 23.978 1.00 14.04 C ATOM 0 H LEU A 25 22.962 23.681 25.951 1.00 8.00 H new ATOM 0 HA LEU A 25 20.589 22.707 26.013 1.00 8.43 H new ATOM 0 HB2 LEU A 25 21.304 25.062 25.516 1.00 9.72 H new ATOM 0 HB3 LEU A 25 21.587 24.600 24.053 1.00 9.72 H new ATOM 0 HG LEU A 25 19.334 24.004 23.803 1.00 12.83 H new ATOM 0 HD11 LEU A 25 17.714 24.616 25.364 1.00 12.85 H new ATOM 0 HD12 LEU A 25 18.708 23.551 25.984 1.00 12.85 H new ATOM 0 HD13 LEU A 25 18.852 25.082 26.361 1.00 12.85 H new ATOM 0 HD21 LEU A 25 18.499 26.289 23.745 1.00 14.04 H new ATOM 0 HD22 LEU A 25 19.699 26.730 24.679 1.00 14.04 H new ATOM 0 HD23 LEU A 25 19.984 26.253 23.197 1.00 14.04 H new ATOM 203 N ALA A 26 21.942 21.803 23.284 1.00 9.02 N ATOM 204 CA ALA A 26 21.807 20.897 22.131 1.00 7.23 C ATOM 205 C ALA A 26 21.601 19.480 22.642 1.00 6.91 C ATOM 206 O ALA A 26 20.874 18.752 21.934 1.00 7.18 O ATOM 207 CB ALA A 26 22.993 21.010 21.189 1.00 9.15 C ATOM 0 H ALA A 26 22.693 22.221 23.314 1.00 9.02 H new ATOM 0 HA ALA A 26 21.032 21.152 21.606 1.00 7.23 H new ATOM 0 HB1 ALA A 26 22.873 20.402 20.443 1.00 9.15 H new ATOM 0 HB2 ALA A 26 23.058 21.919 20.858 1.00 9.15 H new ATOM 0 HB3 ALA A 26 23.807 20.781 21.664 1.00 9.15 H new ATOM 208 N ASN A 27 22.148 19.150 23.800 1.00 7.62 N ATOM 209 CA ASN A 27 21.958 17.757 24.316 1.00 6.37 C ATOM 210 C ASN A 27 20.525 17.566 24.767 1.00 6.81 C ATOM 211 O ASN A 27 19.928 16.496 24.540 1.00 8.20 O ATOM 212 CB ASN A 27 22.979 17.449 25.419 1.00 8.39 C ATOM 213 CG ASN A 27 24.286 16.945 24.834 1.00 11.40 C ATOM 214 OD1 ASN A 27 24.337 15.845 24.215 1.00 10.80 O ATOM 215 ND2 ASN A 27 25.379 17.712 24.954 1.00 10.09 N ATOM 0 H ASN A 27 22.615 19.673 24.298 1.00 7.62 H new ATOM 0 HA ASN A 27 22.121 17.118 23.604 1.00 6.37 H new ATOM 0 HB2 ASN A 27 23.144 18.249 25.943 1.00 8.39 H new ATOM 0 HB3 ASN A 27 22.615 16.784 26.024 1.00 8.39 H new ATOM 0 HD21 ASN A 27 26.124 17.457 24.608 1.00 10.09 H new ATOM 0 HD22 ASN A 27 25.335 18.459 25.377 1.00 10.09 H new ATOM 216 N TRP A 28 19.965 18.543 25.422 1.00 7.02 N ATOM 217 CA TRP A 28 18.567 18.477 25.902 1.00 7.36 C ATOM 218 C TRP A 28 17.629 18.395 24.689 1.00 6.93 C ATOM 219 O TRP A 28 16.633 17.689 24.769 1.00 5.72 O ATOM 220 CB TRP A 28 18.255 19.733 26.742 1.00 7.32 C ATOM 221 CG TRP A 28 18.885 19.811 28.084 1.00 8.14 C ATOM 222 CD1 TRP A 28 19.846 20.700 28.518 1.00 7.71 C ATOM 223 CD2 TRP A 28 18.584 18.990 29.203 1.00 7.87 C ATOM 224 NE1 TRP A 28 20.094 20.527 29.849 1.00 8.43 N ATOM 225 CE2 TRP A 28 19.343 19.476 30.307 1.00 8.61 C ATOM 226 CE3 TRP A 28 17.706 17.936 29.395 1.00 8.86 C ATOM 227 CZ2 TRP A 28 19.292 18.920 31.564 1.00 9.35 C ATOM 228 CZ3 TRP A 28 17.644 17.375 30.674 1.00 8.33 C ATOM 229 CH2 TRP A 28 18.414 17.830 31.733 1.00 9.51 C ATOM 0 H TRP A 28 20.367 19.278 25.614 1.00 7.02 H new ATOM 0 HA TRP A 28 18.439 17.692 26.457 1.00 7.36 H new ATOM 0 HB2 TRP A 28 18.528 20.513 26.234 1.00 7.32 H new ATOM 0 HB3 TRP A 28 17.293 19.790 26.855 1.00 7.32 H new ATOM 0 HD1 TRP A 28 20.267 21.330 27.979 1.00 7.71 H new ATOM 0 HE1 TRP A 28 20.633 21.000 30.323 1.00 8.43 H new ATOM 0 HE3 TRP A 28 17.178 17.614 28.700 1.00 8.86 H new ATOM 0 HZ2 TRP A 28 19.809 19.246 32.265 1.00 9.35 H new ATOM 0 HZ3 TRP A 28 17.061 16.666 30.821 1.00 8.33 H new ATOM 0 HH2 TRP A 28 18.351 17.413 32.562 1.00 9.51 H new ATOM 230 N MET A 29 17.944 19.110 23.636 1.00 7.16 N ATOM 231 CA MET A 29 17.130 19.150 22.386 1.00 5.90 C ATOM 232 C MET A 29 17.152 17.733 21.772 1.00 5.61 C ATOM 233 O MET A 29 16.111 17.186 21.400 1.00 6.23 O ATOM 234 CB MET A 29 17.614 20.224 21.434 1.00 6.63 C ATOM 235 CG MET A 29 17.335 21.662 21.864 1.00 5.87 C ATOM 236 SD MET A 29 15.539 21.951 21.886 1.00 10.10 S ATOM 237 CE MET A 29 15.072 21.587 20.206 1.00 8.70 C ATOM 0 H MET A 29 18.647 19.605 23.602 1.00 7.16 H new ATOM 0 HA MET A 29 16.212 19.395 22.583 1.00 5.90 H new ATOM 0 HB2 MET A 29 18.571 20.119 21.313 1.00 6.63 H new ATOM 0 HB3 MET A 29 17.201 20.076 20.569 1.00 6.63 H new ATOM 0 HG2 MET A 29 17.709 21.825 22.744 1.00 5.87 H new ATOM 0 HG3 MET A 29 17.765 22.281 21.254 1.00 5.87 H new ATOM 0 HE1 MET A 29 14.223 22.012 20.007 1.00 8.70 H new ATOM 0 HE2 MET A 29 15.751 21.924 19.601 1.00 8.70 H new ATOM 0 HE3 MET A 29 14.987 20.627 20.094 1.00 8.70 H new ATOM 238 N CYS A 30 18.372 17.217 21.743 1.00 5.79 N ATOM 239 CA CYS A 30 18.570 15.843 21.179 1.00 7.68 C ATOM 240 C CYS A 30 17.720 14.833 21.941 1.00 6.97 C ATOM 241 O CYS A 30 17.004 13.989 21.387 1.00 6.63 O ATOM 242 CB CYS A 30 20.070 15.482 21.195 1.00 7.60 C ATOM 243 SG CYS A 30 20.353 13.892 20.271 1.00 8.95 S ATOM 0 H CYS A 30 19.083 17.609 22.026 1.00 5.79 H new ATOM 0 HA CYS A 30 18.276 15.822 20.255 1.00 7.68 H new ATOM 0 HB2 CYS A 30 20.586 16.196 20.790 1.00 7.60 H new ATOM 0 HB3 CYS A 30 20.379 15.392 22.110 1.00 7.60 H new ATOM 244 N LEU A 31 17.778 14.938 23.257 1.00 8.23 N ATOM 245 CA LEU A 31 16.985 14.044 24.121 1.00 7.69 C ATOM 246 C LEU A 31 15.511 14.242 23.848 1.00 8.88 C ATOM 247 O LEU A 31 14.837 13.211 23.654 1.00 7.83 O ATOM 248 CB LEU A 31 17.328 14.296 25.599 1.00 6.81 C ATOM 249 CG LEU A 31 16.456 13.518 26.596 1.00 6.30 C ATOM 250 CD1 LEU A 31 16.771 12.034 26.553 1.00 9.40 C ATOM 251 CD2 LEU A 31 16.712 14.093 27.982 1.00 7.24 C ATOM 0 H LEU A 31 18.262 15.511 23.678 1.00 8.23 H new ATOM 0 HA LEU A 31 17.204 13.120 23.922 1.00 7.69 H new ATOM 0 HB2 LEU A 31 18.257 14.062 25.748 1.00 6.81 H new ATOM 0 HB3 LEU A 31 17.241 15.245 25.782 1.00 6.81 H new ATOM 0 HG LEU A 31 15.519 13.611 26.364 1.00 6.30 H new ATOM 0 HD11 LEU A 31 16.209 11.565 27.190 1.00 9.40 H new ATOM 0 HD12 LEU A 31 16.602 11.693 25.661 1.00 9.40 H new ATOM 0 HD13 LEU A 31 17.703 11.894 26.781 1.00 9.40 H new ATOM 0 HD21 LEU A 31 16.172 13.619 28.634 1.00 7.24 H new ATOM 0 HD22 LEU A 31 17.651 13.993 28.206 1.00 7.24 H new ATOM 0 HD23 LEU A 31 16.476 15.034 27.991 1.00 7.24 H new ATOM 252 N ALA A 32 15.021 15.496 23.853 1.00 6.34 N ATOM 253 CA ALA A 32 13.547 15.645 23.633 1.00 7.41 C ATOM 254 C ALA A 32 13.096 15.122 22.281 1.00 7.96 C ATOM 255 O ALA A 32 11.965 14.613 22.169 1.00 6.54 O ATOM 256 CB ALA A 32 13.219 17.144 23.834 1.00 8.74 C ATOM 0 H ALA A 32 15.470 16.220 23.970 1.00 6.34 H new ATOM 0 HA ALA A 32 13.055 15.102 24.268 1.00 7.41 H new ATOM 0 HB1 ALA A 32 12.269 17.288 23.700 1.00 8.74 H new ATOM 0 HB2 ALA A 32 13.463 17.411 24.734 1.00 8.74 H new ATOM 0 HB3 ALA A 32 13.719 17.674 23.194 1.00 8.74 H new ATOM 257 N LYS A 33 13.954 15.354 21.288 1.00 7.52 N ATOM 258 CA LYS A 33 13.609 14.922 19.910 1.00 9.50 C ATOM 259 C LYS A 33 13.377 13.391 19.857 1.00 10.05 C ATOM 260 O LYS A 33 12.337 12.925 19.359 1.00 9.02 O ATOM 261 CB LYS A 33 14.699 15.337 18.935 1.00 10.49 C ATOM 262 CG LYS A 33 14.285 15.150 17.454 1.00 17.00 C ATOM 263 CD LYS A 33 14.562 13.722 16.996 1.00 22.20 C ATOM 264 CE LYS A 33 14.201 13.536 15.518 1.00 23.67 C ATOM 265 NZ LYS A 33 14.612 12.137 15.161 1.00 28.19 N ATOM 0 H LYS A 33 14.716 15.744 21.374 1.00 7.52 H new ATOM 0 HA LYS A 33 12.784 15.360 19.649 1.00 9.50 H new ATOM 0 HB2 LYS A 33 14.926 16.268 19.088 1.00 10.49 H new ATOM 0 HB3 LYS A 33 15.499 14.817 19.111 1.00 10.49 H new ATOM 0 HG2 LYS A 33 13.342 15.352 17.349 1.00 17.00 H new ATOM 0 HG3 LYS A 33 14.773 15.775 16.895 1.00 17.00 H new ATOM 0 HD2 LYS A 33 15.499 13.512 17.132 1.00 22.20 H new ATOM 0 HD3 LYS A 33 14.050 13.101 17.537 1.00 22.20 H new ATOM 0 HE2 LYS A 33 13.250 13.665 15.374 1.00 23.67 H new ATOM 0 HE3 LYS A 33 14.662 14.185 14.964 1.00 23.67 H new ATOM 0 HZ1 LYS A 33 14.641 12.053 14.275 1.00 28.19 H new ATOM 0 HZ2 LYS A 33 15.417 11.968 15.501 1.00 28.19 H new ATOM 0 HZ3 LYS A 33 14.022 11.560 15.494 1.00 28.19 H new ATOM 266 N TRP A 34 14.342 12.633 20.353 1.00 10.07 N ATOM 267 CA TRP A 34 14.225 11.144 20.301 1.00 11.36 C ATOM 268 C TRP A 34 13.254 10.597 21.329 1.00 11.67 C ATOM 269 O TRP A 34 12.620 9.545 21.017 1.00 11.85 O ATOM 270 CB TRP A 34 15.653 10.602 20.386 1.00 11.64 C ATOM 271 CG TRP A 34 16.434 11.007 19.166 1.00 15.90 C ATOM 272 CD1 TRP A 34 17.413 11.961 19.059 1.00 16.14 C ATOM 273 CD2 TRP A 34 16.306 10.432 17.853 1.00 18.85 C ATOM 274 NE1 TRP A 34 17.884 12.024 17.770 1.00 16.92 N ATOM 275 CE2 TRP A 34 17.229 11.096 17.009 1.00 19.05 C ATOM 276 CE3 TRP A 34 15.495 9.404 17.329 1.00 21.08 C ATOM 277 CZ2 TRP A 34 17.346 10.783 15.668 1.00 19.82 C ATOM 278 CZ3 TRP A 34 15.626 9.084 15.975 1.00 21.76 C ATOM 279 CH2 TRP A 34 16.526 9.769 15.168 1.00 22.08 C ATOM 0 H TRP A 34 15.061 12.931 20.718 1.00 10.07 H new ATOM 0 HA TRP A 34 13.824 10.840 19.472 1.00 11.36 H new ATOM 0 HB2 TRP A 34 16.088 10.941 21.184 1.00 11.64 H new ATOM 0 HB3 TRP A 34 15.635 9.635 20.461 1.00 11.64 H new ATOM 0 HD1 TRP A 34 17.716 12.491 19.761 1.00 16.14 H new ATOM 0 HE1 TRP A 34 18.493 12.561 17.487 1.00 16.92 H new ATOM 0 HE3 TRP A 34 14.889 8.951 17.870 1.00 21.08 H new ATOM 0 HZ2 TRP A 34 17.948 11.231 15.119 1.00 19.82 H new ATOM 0 HZ3 TRP A 34 15.105 8.405 15.610 1.00 21.76 H new ATOM 0 HH2 TRP A 34 16.584 9.545 14.267 1.00 22.08 H new ATOM 280 N GLU A 35 13.063 11.272 22.462 1.00 9.60 N ATOM 281 CA GLU A 35 12.132 10.699 23.448 1.00 10.84 C ATOM 282 C GLU A 35 10.647 10.820 23.093 1.00 11.19 C ATOM 283 O GLU A 35 9.869 9.861 23.228 1.00 8.78 O ATOM 284 CB GLU A 35 12.369 11.212 24.867 1.00 11.54 C ATOM 285 CG GLU A 35 13.670 10.716 25.540 1.00 14.15 C ATOM 286 CD GLU A 35 13.558 9.311 26.096 1.00 17.05 C ATOM 287 OE1 GLU A 35 12.591 8.591 25.905 1.00 17.30 O ATOM 288 OE2 GLU A 35 14.564 8.993 26.754 1.00 17.95 O ATOM 0 H GLU A 35 13.434 12.018 22.676 1.00 9.60 H new ATOM 0 HA GLU A 35 12.346 9.753 23.416 1.00 10.84 H new ATOM 0 HB2 GLU A 35 12.382 12.182 24.847 1.00 11.54 H new ATOM 0 HB3 GLU A 35 11.616 10.950 25.420 1.00 11.54 H new ATOM 0 HG2 GLU A 35 14.393 10.745 24.894 1.00 14.15 H new ATOM 0 HG3 GLU A 35 13.907 11.323 26.258 1.00 14.15 H new ATOM 289 N SER A 36 10.230 12.004 22.651 1.00 10.40 N ATOM 290 CA SER A 36 8.866 12.322 22.328 1.00 9.57 C ATOM 291 C SER A 36 8.585 13.080 21.047 1.00 10.43 C ATOM 292 O SER A 36 7.368 13.404 20.837 1.00 10.71 O ATOM 293 CB SER A 36 8.366 13.270 23.477 1.00 9.87 C ATOM 294 OG SER A 36 9.112 14.484 23.402 1.00 8.02 O ATOM 0 H SER A 36 10.766 12.665 22.530 1.00 10.40 H new ATOM 0 HA SER A 36 8.432 11.461 22.220 1.00 9.57 H new ATOM 0 HB2 SER A 36 7.417 13.448 23.381 1.00 9.87 H new ATOM 0 HB3 SER A 36 8.489 12.849 24.342 1.00 9.87 H new ATOM 0 HG SER A 36 9.659 14.516 24.038 1.00 8.02 H new ATOM 295 N GLY A 37 9.567 13.390 20.248 1.00 9.88 N ATOM 296 CA GLY A 37 9.296 14.208 19.035 1.00 10.23 C ATOM 297 C GLY A 37 8.813 15.609 19.490 1.00 10.44 C ATOM 298 O GLY A 37 8.026 16.227 18.751 1.00 10.83 O ATOM 0 H GLY A 37 10.387 13.157 20.361 1.00 9.88 H new ATOM 0 HA2 GLY A 37 10.097 14.286 18.494 1.00 10.23 H new ATOM 0 HA3 GLY A 37 8.622 13.781 18.483 1.00 10.23 H new ATOM 299 N TYR A 38 9.261 16.086 20.630 1.00 8.49 N ATOM 300 CA TYR A 38 8.897 17.410 21.158 1.00 9.71 C ATOM 301 C TYR A 38 7.412 17.526 21.482 1.00 10.31 C ATOM 302 O TYR A 38 6.801 18.623 21.472 1.00 9.32 O ATOM 303 CB TYR A 38 9.252 18.539 20.118 1.00 8.47 C ATOM 304 CG TYR A 38 10.613 18.582 19.487 1.00 7.57 C ATOM 305 CD1 TYR A 38 10.775 18.837 18.133 1.00 8.54 C ATOM 306 CD2 TYR A 38 11.763 18.376 20.260 1.00 8.05 C ATOM 307 CE1 TYR A 38 12.028 18.915 17.533 1.00 11.28 C ATOM 308 CE2 TYR A 38 13.024 18.443 19.684 1.00 9.52 C ATOM 309 CZ TYR A 38 13.165 18.717 18.325 1.00 9.55 C ATOM 310 OH TYR A 38 14.434 18.757 17.805 1.00 10.81 O ATOM 0 H TYR A 38 9.798 15.650 21.140 1.00 8.49 H new ATOM 0 HA TYR A 38 9.406 17.519 21.977 1.00 9.71 H new ATOM 0 HB2 TYR A 38 8.603 18.482 19.399 1.00 8.47 H new ATOM 0 HB3 TYR A 38 9.112 19.391 20.560 1.00 8.47 H new ATOM 0 HD1 TYR A 38 10.018 18.960 17.607 1.00 8.54 H new ATOM 0 HD2 TYR A 38 11.681 18.193 21.168 1.00 8.05 H new ATOM 0 HE1 TYR A 38 12.108 19.095 16.624 1.00 11.28 H new ATOM 0 HE2 TYR A 38 13.780 18.304 20.208 1.00 9.52 H new ATOM 0 HH TYR A 38 14.992 18.619 18.417 1.00 10.81 H new ATOM 311 N ASN A 39 6.840 16.374 21.842 1.00 9.14 N ATOM 312 CA ASN A 39 5.392 16.290 22.165 1.00 9.91 C ATOM 313 C ASN A 39 5.132 16.207 23.675 1.00 9.35 C ATOM 314 O ASN A 39 5.513 15.157 24.247 1.00 7.72 O ATOM 315 CB ASN A 39 4.787 15.045 21.453 1.00 10.28 C ATOM 316 CG ASN A 39 3.286 14.972 21.661 1.00 10.55 C ATOM 317 OD1 ASN A 39 2.627 15.774 22.337 1.00 10.06 O ATOM 318 ND2 ASN A 39 2.723 13.913 21.028 1.00 13.81 N ATOM 0 H ASN A 39 7.263 15.628 21.908 1.00 9.14 H new ATOM 0 HA ASN A 39 4.967 17.103 21.850 1.00 9.91 H new ATOM 0 HB2 ASN A 39 4.983 15.084 20.504 1.00 10.28 H new ATOM 0 HB3 ASN A 39 5.203 14.239 21.796 1.00 10.28 H new ATOM 0 HD21 ASN A 39 1.876 13.777 21.087 1.00 13.81 H new ATOM 0 HD22 ASN A 39 3.213 13.377 20.567 1.00 13.81 H new ATOM 319 N THR A 40 4.481 17.224 24.224 1.00 8.32 N ATOM 320 CA THR A 40 4.263 17.213 25.686 1.00 9.76 C ATOM 321 C THR A 40 3.209 16.192 26.152 1.00 10.55 C ATOM 322 O THR A 40 3.152 15.962 27.372 1.00 12.12 O ATOM 323 CB THR A 40 3.844 18.655 26.210 1.00 9.48 C ATOM 324 OG1 THR A 40 2.547 18.857 25.555 1.00 10.21 O ATOM 325 CG2 THR A 40 4.830 19.783 25.883 1.00 10.38 C ATOM 0 H THR A 40 4.167 17.904 23.802 1.00 8.32 H new ATOM 0 HA THR A 40 5.115 16.946 26.066 1.00 9.76 H new ATOM 0 HB THR A 40 3.822 18.688 27.179 1.00 9.48 H new ATOM 0 HG1 THR A 40 1.942 18.895 26.137 1.00 10.21 H new ATOM 0 HG21 THR A 40 4.494 20.620 26.239 1.00 10.38 H new ATOM 0 HG22 THR A 40 5.692 19.585 26.282 1.00 10.38 H new ATOM 0 HG23 THR A 40 4.929 19.858 24.921 1.00 10.38 H new ATOM 326 N ARG A 41 2.432 15.641 25.241 1.00 10.70 N ATOM 327 CA ARG A 41 1.378 14.689 25.596 1.00 13.55 C ATOM 328 C ARG A 41 1.809 13.229 25.359 1.00 11.61 C ATOM 329 O ARG A 41 0.972 12.333 25.528 1.00 12.66 O ATOM 330 CB ARG A 41 0.037 14.951 24.854 1.00 17.50 C ATOM 331 CG ARG A 41 -0.585 16.288 25.262 1.00 26.44 C ATOM 332 CD ARG A 41 -1.934 16.544 24.674 1.00 33.70 C ATOM 333 NE ARG A 41 -1.955 16.805 23.250 1.00 39.56 N ATOM 334 CZ ARG A 41 -2.854 16.378 22.356 1.00 42.25 C ATOM 335 NH1 ARG A 41 -3.932 15.649 22.667 1.00 44.13 N ATOM 336 NH2 ARG A 41 -2.664 16.629 21.053 1.00 43.31 N ATOM 0 H ARG A 41 2.494 15.802 24.399 1.00 10.70 H new ATOM 0 HA ARG A 41 1.229 14.829 26.544 1.00 13.55 H new ATOM 0 HB2 ARG A 41 0.190 14.944 23.896 1.00 17.50 H new ATOM 0 HB3 ARG A 41 -0.585 14.232 25.047 1.00 17.50 H new ATOM 0 HG2 ARG A 41 -0.654 16.319 26.229 1.00 26.44 H new ATOM 0 HG3 ARG A 41 0.013 17.005 24.998 1.00 26.44 H new ATOM 0 HD2 ARG A 41 -2.499 15.776 24.854 1.00 33.70 H new ATOM 0 HD3 ARG A 41 -2.330 17.302 25.132 1.00 33.70 H new ATOM 0 HE ARG A 41 -1.315 17.291 22.943 1.00 39.56 H new ATOM 0 HH11 ARG A 41 -4.080 15.427 23.485 1.00 44.13 H new ATOM 0 HH12 ARG A 41 -4.477 15.402 22.049 1.00 44.13 H new ATOM 0 HH21 ARG A 41 -1.967 17.062 20.796 1.00 43.31 H new ATOM 0 HH22 ARG A 41 -3.239 16.357 20.474 1.00 43.31 H new ATOM 337 N ALA A 42 3.033 13.024 24.978 1.00 11.42 N ATOM 338 CA ALA A 42 3.466 11.636 24.705 1.00 12.20 C ATOM 339 C ALA A 42 3.514 10.823 25.996 1.00 11.82 C ATOM 340 O ALA A 42 3.923 11.273 27.067 1.00 9.98 O ATOM 341 CB ALA A 42 4.811 11.627 24.001 1.00 12.29 C ATOM 0 H ALA A 42 3.630 13.632 24.866 1.00 11.42 H new ATOM 0 HA ALA A 42 2.817 11.221 24.116 1.00 12.20 H new ATOM 0 HB1 ALA A 42 5.081 10.711 23.829 1.00 12.29 H new ATOM 0 HB2 ALA A 42 4.740 12.106 23.160 1.00 12.29 H new ATOM 0 HB3 ALA A 42 5.473 12.059 24.563 1.00 12.29 H new ATOM 342 N THR A 43 3.093 9.562 25.808 1.00 12.56 N ATOM 343 CA THR A 43 3.144 8.620 26.954 1.00 13.60 C ATOM 344 C THR A 43 3.551 7.247 26.363 1.00 14.50 C ATOM 345 O THR A 43 3.188 6.972 25.203 1.00 14.86 O ATOM 346 CB THR A 43 1.880 8.473 27.828 1.00 15.68 C ATOM 347 OG1 THR A 43 0.917 7.831 26.925 1.00 19.39 O ATOM 348 CG2 THR A 43 1.292 9.752 28.422 1.00 18.42 C ATOM 0 H THR A 43 2.790 9.240 25.070 1.00 12.56 H new ATOM 0 HA THR A 43 3.779 8.993 27.586 1.00 13.60 H new ATOM 0 HB THR A 43 2.104 7.973 28.628 1.00 15.68 H new ATOM 0 HG1 THR A 43 0.752 7.054 27.198 1.00 19.39 H new ATOM 0 HG21 THR A 43 0.506 9.534 28.947 1.00 18.42 H new ATOM 0 HG22 THR A 43 1.952 10.178 28.990 1.00 18.42 H new ATOM 0 HG23 THR A 43 1.043 10.357 27.706 1.00 18.42 H new ATOM 349 N ASN A 44 4.295 6.512 27.172 1.00 13.78 N ATOM 350 CA ASN A 44 4.731 5.177 26.761 1.00 14.12 C ATOM 351 C ASN A 44 4.487 4.250 27.959 1.00 13.01 C ATOM 352 O ASN A 44 5.117 4.442 28.983 1.00 11.44 O ATOM 353 CB ASN A 44 6.207 5.180 26.351 1.00 17.06 C ATOM 354 CG ASN A 44 6.708 3.730 26.180 1.00 20.96 C ATOM 355 OD1 ASN A 44 7.102 3.110 27.291 1.00 21.54 O flip ATOM 356 ND2 ASN A 44 6.670 3.202 25.072 1.00 21.49 N flip ATOM 0 H ASN A 44 4.558 6.757 27.953 1.00 13.78 H new ATOM 0 HA ASN A 44 4.235 4.874 25.984 1.00 14.12 H new ATOM 0 HB2 ASN A 44 6.319 5.669 25.521 1.00 17.06 H new ATOM 0 HB3 ASN A 44 6.737 5.636 27.023 1.00 17.06 H new ATOM 0 HD21 ASN A 44 6.406 3.654 24.389 1.00 21.49 H new ATOM 0 HD22 ASN A 44 6.907 2.381 24.979 1.00 21.49 H new ATOM 357 N TYR A 45 3.632 3.260 27.796 1.00 14.12 N ATOM 358 CA TYR A 45 3.443 2.288 28.921 1.00 14.10 C ATOM 359 C TYR A 45 4.449 1.151 28.737 1.00 14.33 C ATOM 360 O TYR A 45 4.615 0.583 27.636 1.00 14.38 O ATOM 361 CB TYR A 45 1.990 1.819 28.939 1.00 14.50 C ATOM 362 CG TYR A 45 1.748 0.716 29.929 1.00 14.48 C ATOM 363 CD1 TYR A 45 1.517 -0.620 29.446 1.00 15.66 C ATOM 364 CD2 TYR A 45 1.756 0.985 31.274 1.00 14.36 C ATOM 365 CE1 TYR A 45 1.259 -1.658 30.364 1.00 15.77 C ATOM 366 CE2 TYR A 45 1.526 -0.050 32.208 1.00 16.04 C ATOM 367 CZ TYR A 45 1.283 -1.359 31.725 1.00 14.76 C ATOM 368 OH TYR A 45 1.061 -2.275 32.706 1.00 15.87 O ATOM 0 H TYR A 45 3.162 3.115 27.091 1.00 14.12 H new ATOM 0 HA TYR A 45 3.612 2.693 29.786 1.00 14.10 H new ATOM 0 HB2 TYR A 45 1.414 2.570 29.151 1.00 14.50 H new ATOM 0 HB3 TYR A 45 1.742 1.513 28.053 1.00 14.50 H new ATOM 0 HD1 TYR A 45 1.538 -0.797 28.533 1.00 15.66 H new ATOM 0 HD2 TYR A 45 1.913 1.852 31.572 1.00 14.36 H new ATOM 0 HE1 TYR A 45 1.077 -2.521 30.069 1.00 15.77 H new ATOM 0 HE2 TYR A 45 1.534 0.125 33.121 1.00 16.04 H new ATOM 0 HH TYR A 45 1.119 -1.902 33.456 1.00 15.87 H new ATOM 369 N ASN A 46 5.170 0.806 29.780 1.00 13.78 N ATOM 370 CA ASN A 46 6.172 -0.290 29.768 1.00 15.29 C ATOM 371 C ASN A 46 5.437 -1.516 30.365 1.00 14.47 C ATOM 372 O ASN A 46 5.381 -1.636 31.584 1.00 14.17 O ATOM 373 CB ASN A 46 7.450 0.067 30.526 1.00 16.41 C ATOM 374 CG ASN A 46 8.048 1.393 30.057 1.00 19.30 C ATOM 375 OD1 ASN A 46 8.514 1.384 28.897 1.00 19.09 O ATOM 376 ND2 ASN A 46 8.001 2.466 30.827 1.00 17.73 N ATOM 0 H ASN A 46 5.104 1.199 30.542 1.00 13.78 H new ATOM 0 HA ASN A 46 6.488 -0.472 28.869 1.00 15.29 H new ATOM 0 HB2 ASN A 46 7.257 0.119 31.475 1.00 16.41 H new ATOM 0 HB3 ASN A 46 8.103 -0.640 30.407 1.00 16.41 H new ATOM 0 HD21 ASN A 46 8.303 3.217 30.537 1.00 17.73 H new ATOM 0 HD22 ASN A 46 7.669 2.413 31.618 1.00 17.73 H new ATOM 377 N ALA A 47 4.911 -2.311 29.466 1.00 15.84 N ATOM 378 CA ALA A 47 4.157 -3.533 29.865 1.00 17.29 C ATOM 379 C ALA A 47 4.966 -4.452 30.785 1.00 14.85 C ATOM 380 O ALA A 47 4.371 -5.088 31.662 1.00 16.16 O ATOM 381 CB ALA A 47 3.764 -4.351 28.627 1.00 17.58 C ATOM 0 H ALA A 47 4.965 -2.184 28.617 1.00 15.84 H new ATOM 0 HA ALA A 47 3.373 -3.218 30.342 1.00 17.29 H new ATOM 0 HB1 ALA A 47 3.275 -5.142 28.903 1.00 17.58 H new ATOM 0 HB2 ALA A 47 3.205 -3.811 28.047 1.00 17.58 H new ATOM 0 HB3 ALA A 47 4.564 -4.617 28.148 1.00 17.58 H new ATOM 382 N GLY A 48 6.239 -4.489 30.502 1.00 15.51 N ATOM 383 CA GLY A 48 7.229 -5.292 31.234 1.00 15.37 C ATOM 384 C GLY A 48 7.405 -5.003 32.701 1.00 15.46 C ATOM 385 O GLY A 48 7.624 -5.948 33.514 1.00 14.68 O ATOM 0 H GLY A 48 6.583 -4.036 29.857 1.00 15.51 H new ATOM 0 HA2 GLY A 48 6.987 -6.226 31.139 1.00 15.37 H new ATOM 0 HA3 GLY A 48 8.089 -5.177 30.800 1.00 15.37 H new ATOM 386 N ASP A 49 7.310 -3.705 33.086 1.00 13.58 N ATOM 387 CA ASP A 49 7.497 -3.384 34.513 1.00 12.82 C ATOM 388 C ASP A 49 6.338 -2.585 35.117 1.00 11.50 C ATOM 389 O ASP A 49 6.442 -2.260 36.329 1.00 12.12 O ATOM 390 CB ASP A 49 8.888 -2.845 34.803 1.00 13.43 C ATOM 391 CG ASP A 49 8.972 -1.346 34.580 1.00 18.01 C ATOM 392 OD1 ASP A 49 8.172 -0.861 33.778 1.00 16.48 O ATOM 393 OD2 ASP A 49 9.741 -0.675 35.312 1.00 21.28 O ATOM 0 H ASP A 49 7.148 -3.038 32.567 1.00 13.58 H new ATOM 0 HA ASP A 49 7.456 -4.222 35.000 1.00 12.82 H new ATOM 0 HB2 ASP A 49 9.129 -3.049 35.720 1.00 13.43 H new ATOM 0 HB3 ASP A 49 9.533 -3.293 34.234 1.00 13.43 H new ATOM 394 N ARG A 50 5.296 -2.318 34.377 1.00 10.49 N ATOM 395 CA ARG A 50 4.100 -1.636 34.853 1.00 12.19 C ATOM 396 C ARG A 50 4.322 -0.144 35.139 1.00 12.42 C ATOM 397 O ARG A 50 3.506 0.507 35.808 1.00 14.28 O ATOM 398 CB ARG A 50 3.491 -2.363 36.076 1.00 12.98 C ATOM 399 CG ARG A 50 2.956 -3.765 35.674 1.00 17.64 C ATOM 400 CD ARG A 50 2.198 -4.379 36.825 1.00 21.78 C ATOM 401 NE ARG A 50 1.790 -5.751 36.530 1.00 26.45 N ATOM 402 CZ ARG A 50 0.719 -6.152 35.831 1.00 27.14 C ATOM 403 NH1 ARG A 50 -0.142 -5.303 35.227 1.00 28.80 N ATOM 404 NH2 ARG A 50 0.447 -7.449 35.812 1.00 25.54 N ATOM 0 H ARG A 50 5.252 -2.534 33.546 1.00 10.49 H new ATOM 0 HA ARG A 50 3.459 -1.674 34.126 1.00 12.19 H new ATOM 0 HB2 ARG A 50 4.162 -2.455 36.770 1.00 12.98 H new ATOM 0 HB3 ARG A 50 2.770 -1.831 36.448 1.00 12.98 H new ATOM 0 HG2 ARG A 50 2.377 -3.688 34.900 1.00 17.64 H new ATOM 0 HG3 ARG A 50 3.694 -4.340 35.420 1.00 17.64 H new ATOM 0 HD2 ARG A 50 2.753 -4.370 37.620 1.00 21.78 H new ATOM 0 HD3 ARG A 50 1.414 -3.842 37.020 1.00 21.78 H new ATOM 0 HE ARG A 50 2.296 -6.373 36.841 1.00 26.45 H new ATOM 0 HH11 ARG A 50 -0.017 -4.454 35.280 1.00 28.80 H new ATOM 0 HH12 ARG A 50 -0.815 -5.612 34.790 1.00 28.80 H new ATOM 0 HH21 ARG A 50 0.951 -8.000 36.239 1.00 25.54 H new ATOM 0 HH22 ARG A 50 -0.233 -7.739 35.373 1.00 25.54 H new ATOM 405 N SER A 51 5.409 0.393 34.615 1.00 12.13 N ATOM 406 CA SER A 51 5.663 1.860 34.809 1.00 10.41 C ATOM 407 C SER A 51 5.254 2.551 33.511 1.00 10.26 C ATOM 408 O SER A 51 5.056 1.901 32.457 1.00 9.35 O ATOM 409 CB SER A 51 7.147 2.019 35.130 1.00 9.04 C ATOM 410 OG SER A 51 7.998 1.840 34.010 1.00 7.94 O ATOM 0 H SER A 51 6.003 -0.031 34.160 1.00 12.13 H new ATOM 0 HA SER A 51 5.158 2.257 35.536 1.00 10.41 H new ATOM 0 HB2 SER A 51 7.296 2.903 35.501 1.00 9.04 H new ATOM 0 HB3 SER A 51 7.391 1.379 35.817 1.00 9.04 H new ATOM 0 HG SER A 51 8.095 1.019 33.860 1.00 7.94 H new ATOM 411 N THR A 52 5.157 3.889 33.536 1.00 9.06 N ATOM 412 CA THR A 52 4.819 4.654 32.309 1.00 7.69 C ATOM 413 C THR A 52 5.755 5.889 32.235 1.00 8.58 C ATOM 414 O THR A 52 6.113 6.402 33.313 1.00 8.68 O ATOM 415 CB THR A 52 3.355 5.222 32.358 1.00 9.71 C ATOM 416 OG1 THR A 52 2.498 4.029 32.514 1.00 10.59 O ATOM 417 CG2 THR A 52 2.897 6.001 31.116 1.00 6.45 C ATOM 0 H THR A 52 5.280 4.371 34.238 1.00 9.06 H new ATOM 0 HA THR A 52 4.913 4.054 31.553 1.00 7.69 H new ATOM 0 HB THR A 52 3.303 5.871 33.077 1.00 9.71 H new ATOM 0 HG1 THR A 52 2.389 3.867 33.331 1.00 10.59 H new ATOM 0 HG21 THR A 52 1.986 6.308 31.244 1.00 6.45 H new ATOM 0 HG22 THR A 52 3.479 6.765 30.980 1.00 6.45 H new ATOM 0 HG23 THR A 52 2.937 5.423 30.338 1.00 6.45 H new ATOM 418 N ASP A 53 6.094 6.252 31.035 1.00 8.09 N ATOM 419 CA ASP A 53 6.980 7.389 30.711 1.00 7.25 C ATOM 420 C ASP A 53 6.074 8.529 30.226 1.00 6.74 C ATOM 421 O ASP A 53 5.241 8.245 29.383 1.00 7.11 O ATOM 422 CB ASP A 53 8.038 7.032 29.684 1.00 10.49 C ATOM 423 CG ASP A 53 8.907 5.856 30.128 1.00 10.54 C ATOM 424 OD1 ASP A 53 9.316 5.804 31.265 1.00 11.81 O ATOM 425 OD2 ASP A 53 9.113 5.075 29.202 1.00 14.57 O ATOM 0 H ASP A 53 5.814 5.838 30.335 1.00 8.09 H new ATOM 0 HA ASP A 53 7.481 7.656 31.498 1.00 7.25 H new ATOM 0 HB2 ASP A 53 7.608 6.813 28.843 1.00 10.49 H new ATOM 0 HB3 ASP A 53 8.602 7.805 29.522 1.00 10.49 H new ATOM 426 N TYR A 54 6.314 9.698 30.819 1.00 6.00 N ATOM 427 CA TYR A 54 5.435 10.836 30.548 1.00 7.11 C ATOM 428 C TYR A 54 6.116 12.105 30.030 1.00 7.51 C ATOM 429 O TYR A 54 7.194 12.489 30.530 1.00 8.92 O ATOM 430 CB TYR A 54 4.871 11.240 31.969 1.00 7.28 C ATOM 431 CG TYR A 54 3.859 10.258 32.534 1.00 8.21 C ATOM 432 CD1 TYR A 54 2.518 10.310 32.156 1.00 7.97 C ATOM 433 CD2 TYR A 54 4.270 9.228 33.404 1.00 8.83 C ATOM 434 CE1 TYR A 54 1.587 9.415 32.695 1.00 8.39 C ATOM 435 CE2 TYR A 54 3.346 8.312 33.929 1.00 8.57 C ATOM 436 CZ TYR A 54 2.008 8.397 33.551 1.00 9.01 C ATOM 437 OH TYR A 54 1.084 7.520 34.073 1.00 9.94 O ATOM 0 H TYR A 54 6.960 9.852 31.365 1.00 6.00 H new ATOM 0 HA TYR A 54 4.805 10.555 29.866 1.00 7.11 H new ATOM 0 HB2 TYR A 54 5.612 11.320 32.590 1.00 7.28 H new ATOM 0 HB3 TYR A 54 4.458 12.115 31.906 1.00 7.28 H new ATOM 0 HD1 TYR A 54 2.239 10.947 31.538 1.00 7.97 H new ATOM 0 HD2 TYR A 54 5.168 9.154 33.634 1.00 8.83 H new ATOM 0 HE1 TYR A 54 0.686 9.499 32.482 1.00 8.39 H new ATOM 0 HE2 TYR A 54 3.624 7.654 34.524 1.00 8.57 H new ATOM 0 HH TYR A 54 1.439 7.073 34.689 1.00 9.94 H new ATOM 438 N GLY A 55 5.425 12.691 29.048 1.00 8.82 N ATOM 439 CA GLY A 55 5.869 14.022 28.566 1.00 8.65 C ATOM 440 C GLY A 55 6.990 14.092 27.601 1.00 7.89 C ATOM 441 O GLY A 55 7.534 13.084 27.070 1.00 6.64 O ATOM 0 H GLY A 55 4.731 12.363 28.660 1.00 8.82 H new ATOM 0 HA2 GLY A 55 5.104 14.458 28.160 1.00 8.65 H new ATOM 0 HA3 GLY A 55 6.116 14.548 29.342 1.00 8.65 H new ATOM 442 N ILE A 56 7.402 15.373 27.409 1.00 6.38 N ATOM 443 CA ILE A 56 8.472 15.679 26.438 1.00 5.91 C ATOM 444 C ILE A 56 9.805 14.998 26.725 1.00 5.59 C ATOM 445 O ILE A 56 10.530 14.721 25.719 1.00 7.19 O ATOM 446 CB ILE A 56 8.517 17.264 26.383 1.00 6.07 C ATOM 447 CG1 ILE A 56 9.187 17.727 25.087 1.00 10.10 C ATOM 448 CG2 ILE A 56 9.038 17.847 27.696 1.00 7.46 C ATOM 449 CD1 ILE A 56 8.775 19.216 24.719 1.00 9.46 C ATOM 0 H ILE A 56 7.081 16.056 27.822 1.00 6.38 H new ATOM 0 HA ILE A 56 8.279 15.307 25.563 1.00 5.91 H new ATOM 0 HB ILE A 56 7.624 17.639 26.327 1.00 6.07 H new ATOM 0 HG12 ILE A 56 10.151 17.671 25.182 1.00 10.10 H new ATOM 0 HG13 ILE A 56 8.938 17.132 24.362 1.00 10.10 H new ATOM 0 HG21 ILE A 56 9.056 18.815 27.636 1.00 7.46 H new ATOM 0 HG22 ILE A 56 8.455 17.579 28.423 1.00 7.46 H new ATOM 0 HG23 ILE A 56 9.935 17.518 27.863 1.00 7.46 H new ATOM 0 HD11 ILE A 56 9.215 19.479 23.895 1.00 9.46 H new ATOM 0 HD12 ILE A 56 7.813 19.266 24.602 1.00 9.46 H new ATOM 0 HD13 ILE A 56 9.045 19.813 25.434 1.00 9.46 H new ATOM 450 N PHE A 57 10.095 14.753 27.997 1.00 7.32 N ATOM 451 CA PHE A 57 11.382 14.090 28.346 1.00 8.19 C ATOM 452 C PHE A 57 11.144 12.601 28.701 1.00 9.58 C ATOM 453 O PHE A 57 12.146 11.962 29.143 1.00 9.53 O ATOM 454 CB PHE A 57 12.075 14.799 29.516 1.00 8.95 C ATOM 455 CG PHE A 57 12.492 16.217 29.160 1.00 11.80 C ATOM 456 CD1 PHE A 57 11.868 17.294 29.864 1.00 13.64 C ATOM 457 CD2 PHE A 57 13.457 16.453 28.208 1.00 13.24 C ATOM 458 CE1 PHE A 57 12.173 18.593 29.509 1.00 14.41 C ATOM 459 CE2 PHE A 57 13.828 17.761 27.860 1.00 12.96 C ATOM 460 CZ PHE A 57 13.162 18.815 28.561 1.00 13.95 C ATOM 0 H PHE A 57 9.589 14.949 28.664 1.00 7.32 H new ATOM 0 HA PHE A 57 11.962 14.145 27.570 1.00 8.19 H new ATOM 0 HB2 PHE A 57 11.477 14.821 30.279 1.00 8.95 H new ATOM 0 HB3 PHE A 57 12.857 14.291 29.783 1.00 8.95 H new ATOM 0 HD1 PHE A 57 11.265 17.122 30.551 1.00 13.64 H new ATOM 0 HD2 PHE A 57 13.870 15.734 27.788 1.00 13.24 H new ATOM 0 HE1 PHE A 57 11.723 19.308 29.899 1.00 14.41 H new ATOM 0 HE2 PHE A 57 14.471 17.933 27.210 1.00 12.96 H new ATOM 0 HZ PHE A 57 13.404 19.693 28.372 1.00 13.95 H new ATOM 461 N GLN A 58 9.905 12.178 28.588 1.00 9.12 N ATOM 462 CA GLN A 58 9.518 10.764 28.908 1.00 8.92 C ATOM 463 C GLN A 58 10.079 10.358 30.260 1.00 8.02 C ATOM 464 O GLN A 58 10.935 9.420 30.386 1.00 9.62 O ATOM 465 CB GLN A 58 9.973 9.849 27.748 1.00 7.29 C ATOM 466 CG GLN A 58 9.145 9.950 26.490 1.00 7.40 C ATOM 467 CD GLN A 58 7.756 9.431 26.684 1.00 8.47 C ATOM 468 OE1 GLN A 58 7.550 8.208 26.538 1.00 11.39 O ATOM 469 NE2 GLN A 58 6.783 10.261 27.003 1.00 8.37 N ATOM 0 H GLN A 58 9.252 12.674 28.329 1.00 9.12 H new ATOM 0 HA GLN A 58 8.555 10.677 28.985 1.00 8.92 H new ATOM 0 HB2 GLN A 58 10.894 10.060 27.530 1.00 7.29 H new ATOM 0 HB3 GLN A 58 9.958 8.929 28.055 1.00 7.29 H new ATOM 0 HG2 GLN A 58 9.105 10.876 26.204 1.00 7.40 H new ATOM 0 HG3 GLN A 58 9.578 9.452 25.779 1.00 7.40 H new ATOM 0 HE21 GLN A 58 6.947 11.100 27.099 1.00 8.37 H new ATOM 0 HE22 GLN A 58 5.984 9.964 27.116 1.00 8.37 H new ATOM 470 N ILE A 59 9.641 11.023 31.300 1.00 7.00 N ATOM 471 CA ILE A 59 10.099 10.799 32.699 1.00 7.83 C ATOM 472 C ILE A 59 9.335 9.613 33.265 1.00 8.33 C ATOM 473 O ILE A 59 8.104 9.567 33.075 1.00 8.08 O ATOM 474 CB ILE A 59 9.933 12.140 33.470 1.00 8.73 C ATOM 475 CG1 ILE A 59 11.153 13.045 33.025 1.00 10.36 C ATOM 476 CG2 ILE A 59 9.916 11.969 35.012 1.00 9.60 C ATOM 477 CD1 ILE A 59 11.066 14.498 33.510 1.00 8.95 C ATOM 0 H ILE A 59 9.049 11.643 31.235 1.00 7.00 H new ATOM 0 HA ILE A 59 11.037 10.562 32.772 1.00 7.83 H new ATOM 0 HB ILE A 59 9.074 12.537 33.255 1.00 8.73 H new ATOM 0 HG12 ILE A 59 11.974 12.651 33.360 1.00 10.36 H new ATOM 0 HG13 ILE A 59 11.210 13.040 32.057 1.00 10.36 H new ATOM 0 HG21 ILE A 59 9.810 12.837 35.433 1.00 9.60 H new ATOM 0 HG22 ILE A 59 9.177 11.395 35.266 1.00 9.60 H new ATOM 0 HG23 ILE A 59 10.750 11.569 35.303 1.00 9.60 H new ATOM 0 HD11 ILE A 59 11.843 14.990 33.201 1.00 8.95 H new ATOM 0 HD12 ILE A 59 10.262 14.910 33.156 1.00 8.95 H new ATOM 0 HD13 ILE A 59 11.038 14.515 34.479 1.00 8.95 H new ATOM 478 N ASN A 60 10.040 8.680 33.900 1.00 7.73 N ATOM 479 CA ASN A 60 9.360 7.431 34.375 1.00 8.71 C ATOM 480 C ASN A 60 8.678 7.536 35.704 1.00 8.32 C ATOM 481 O ASN A 60 9.155 8.195 36.655 1.00 9.08 O ATOM 482 CB ASN A 60 10.420 6.313 34.268 1.00 9.48 C ATOM 483 CG ASN A 60 9.868 4.908 34.553 1.00 10.60 C ATOM 484 OD1 ASN A 60 9.918 4.416 35.681 1.00 11.78 O ATOM 485 ND2 ASN A 60 9.335 4.299 33.507 1.00 11.30 N ATOM 0 H ASN A 60 10.882 8.729 34.070 1.00 7.73 H new ATOM 0 HA ASN A 60 8.594 7.231 33.814 1.00 8.71 H new ATOM 0 HB2 ASN A 60 10.804 6.326 33.377 1.00 9.48 H new ATOM 0 HB3 ASN A 60 11.140 6.501 34.890 1.00 9.48 H new ATOM 0 HD21 ASN A 60 8.997 3.513 33.593 1.00 11.30 H new ATOM 0 HD22 ASN A 60 9.326 4.689 32.741 1.00 11.30 H new ATOM 486 N SER A 61 7.532 6.817 35.788 1.00 8.02 N ATOM 487 CA SER A 61 6.707 6.812 36.981 1.00 7.89 C ATOM 488 C SER A 61 7.200 5.980 38.159 1.00 9.15 C ATOM 489 O SER A 61 6.612 6.112 39.242 1.00 8.03 O ATOM 490 CB SER A 61 5.265 6.389 36.620 1.00 8.98 C ATOM 491 OG SER A 61 5.214 5.012 36.300 1.00 9.07 O ATOM 0 H SER A 61 7.229 6.328 35.149 1.00 8.02 H new ATOM 0 HA SER A 61 6.753 7.727 37.299 1.00 7.89 H new ATOM 0 HB2 SER A 61 4.672 6.575 37.365 1.00 8.98 H new ATOM 0 HB3 SER A 61 4.948 6.913 35.868 1.00 8.98 H new ATOM 0 HG SER A 61 4.488 4.688 36.571 1.00 9.07 H new ATOM 492 N ARG A 62 8.227 5.170 37.988 1.00 9.79 N ATOM 493 CA ARG A 62 8.692 4.354 39.124 1.00 12.05 C ATOM 494 C ARG A 62 9.495 5.181 40.119 1.00 13.12 C ATOM 495 O ARG A 62 9.412 4.994 41.351 1.00 12.55 O ATOM 496 CB ARG A 62 9.526 3.160 38.633 1.00 13.64 C ATOM 497 CG ARG A 62 10.298 2.422 39.710 1.00 17.05 C ATOM 498 CD ARG A 62 10.640 1.015 39.394 1.00 18.93 C ATOM 499 NE ARG A 62 9.651 0.299 38.584 1.00 20.99 N ATOM 500 CZ ARG A 62 8.580 -0.276 39.181 1.00 22.35 C ATOM 501 NH1 ARG A 62 8.524 -0.313 40.522 1.00 22.27 N ATOM 502 NH2 ARG A 62 7.524 -0.665 38.461 1.00 20.91 N ATOM 0 H ARG A 62 8.664 5.070 37.254 1.00 9.79 H new ATOM 0 HA ARG A 62 7.904 4.020 39.580 1.00 12.05 H new ATOM 0 HB2 ARG A 62 8.934 2.531 38.191 1.00 13.64 H new ATOM 0 HB3 ARG A 62 10.154 3.476 37.965 1.00 13.64 H new ATOM 0 HG2 ARG A 62 11.119 2.907 39.888 1.00 17.05 H new ATOM 0 HG3 ARG A 62 9.777 2.437 40.528 1.00 17.05 H new ATOM 0 HD2 ARG A 62 11.490 1.001 38.927 1.00 18.93 H new ATOM 0 HD3 ARG A 62 10.765 0.533 40.226 1.00 18.93 H new ATOM 0 HE ARG A 62 9.750 0.244 37.732 1.00 20.99 H new ATOM 0 HH11 ARG A 62 9.162 0.025 40.989 1.00 22.27 H new ATOM 0 HH12 ARG A 62 7.850 -0.675 40.914 1.00 22.27 H new ATOM 0 HH21 ARG A 62 7.519 -0.551 37.609 1.00 20.91 H new ATOM 0 HH22 ARG A 62 6.849 -1.029 38.850 1.00 20.91 H new ATOM 503 N TYR A 63 10.235 6.139 39.535 1.00 13.85 N ATOM 504 CA TYR A 63 11.122 6.985 40.314 1.00 13.76 C ATOM 505 C TYR A 63 10.847 8.443 40.511 1.00 13.86 C ATOM 506 O TYR A 63 11.169 9.002 41.594 1.00 13.55 O ATOM 507 CB TYR A 63 12.493 6.937 39.525 1.00 18.98 C ATOM 508 CG TYR A 63 13.035 5.528 39.390 1.00 24.80 C ATOM 509 CD1 TYR A 63 13.073 4.824 38.188 1.00 26.49 C ATOM 510 CD2 TYR A 63 13.480 4.878 40.547 1.00 26.39 C ATOM 511 CE1 TYR A 63 13.595 3.524 38.133 1.00 29.01 C ATOM 512 CE2 TYR A 63 13.989 3.587 40.505 1.00 28.50 C ATOM 513 CZ TYR A 63 14.040 2.914 39.299 1.00 29.72 C ATOM 514 OH TYR A 63 14.568 1.636 39.356 1.00 32.84 O ATOM 0 H TYR A 63 10.230 6.306 38.691 1.00 13.85 H new ATOM 0 HA TYR A 63 11.051 6.626 41.212 1.00 13.76 H new ATOM 0 HB2 TYR A 63 12.368 7.318 38.642 1.00 18.98 H new ATOM 0 HB3 TYR A 63 13.146 7.489 39.983 1.00 18.98 H new ATOM 0 HD1 TYR A 63 12.748 5.222 37.413 1.00 26.49 H new ATOM 0 HD2 TYR A 63 13.434 5.321 41.363 1.00 26.39 H new ATOM 0 HE1 TYR A 63 13.643 3.073 37.321 1.00 29.01 H new ATOM 0 HE2 TYR A 63 14.293 3.178 41.283 1.00 28.50 H new ATOM 0 HH TYR A 63 14.777 1.454 40.149 1.00 32.84 H new ATOM 515 N TRP A 64 10.276 9.029 39.465 1.00 12.03 N ATOM 516 CA TRP A 64 10.127 10.513 39.454 1.00 11.46 C ATOM 517 C TRP A 64 8.807 11.152 39.706 1.00 11.24 C ATOM 518 O TRP A 64 8.766 12.231 40.346 1.00 11.70 O ATOM 519 CB TRP A 64 10.721 10.967 38.084 1.00 11.45 C ATOM 520 CG TRP A 64 12.049 10.325 37.811 1.00 11.20 C ATOM 521 CD1 TRP A 64 12.321 9.367 36.894 1.00 11.86 C ATOM 522 CD2 TRP A 64 13.264 10.579 38.536 1.00 11.82 C ATOM 523 NE1 TRP A 64 13.655 8.986 37.019 1.00 14.34 N ATOM 524 CE2 TRP A 64 14.248 9.738 37.990 1.00 13.38 C ATOM 525 CE3 TRP A 64 13.585 11.476 39.565 1.00 12.77 C ATOM 526 CZ2 TRP A 64 15.560 9.722 38.456 1.00 14.11 C ATOM 527 CZ3 TRP A 64 14.902 11.443 40.037 1.00 15.61 C ATOM 528 CH2 TRP A 64 15.873 10.587 39.486 1.00 13.61 C ATOM 0 H TRP A 64 9.974 8.620 38.771 1.00 12.03 H new ATOM 0 HA TRP A 64 10.588 10.824 40.249 1.00 11.46 H new ATOM 0 HB2 TRP A 64 10.101 10.742 37.373 1.00 11.45 H new ATOM 0 HB3 TRP A 64 10.821 11.932 38.079 1.00 11.45 H new ATOM 0 HD1 TRP A 64 11.715 9.019 36.280 1.00 11.86 H new ATOM 0 HE1 TRP A 64 14.043 8.373 36.557 1.00 14.34 H new ATOM 0 HE3 TRP A 64 12.955 12.063 39.916 1.00 12.77 H new ATOM 0 HZ2 TRP A 64 16.198 9.153 38.089 1.00 14.11 H new ATOM 0 HZ3 TRP A 64 15.143 12.005 40.738 1.00 15.61 H new ATOM 0 HH2 TRP A 64 16.740 10.604 39.821 1.00 13.61 H new ATOM 529 N CYS A 65 7.729 10.570 39.191 1.00 10.76 N ATOM 530 CA CYS A 65 6.399 11.224 39.411 1.00 10.06 C ATOM 531 C CYS A 65 5.396 10.191 39.911 1.00 10.12 C ATOM 532 O CYS A 65 5.630 8.990 39.674 1.00 11.18 O ATOM 533 CB CYS A 65 5.962 11.908 38.118 1.00 8.16 C ATOM 534 SG CYS A 65 5.647 10.830 36.691 1.00 9.13 S ATOM 0 H CYS A 65 7.721 9.841 38.735 1.00 10.76 H new ATOM 0 HA CYS A 65 6.457 11.909 40.095 1.00 10.06 H new ATOM 0 HB2 CYS A 65 5.154 12.413 38.301 1.00 8.16 H new ATOM 0 HB3 CYS A 65 6.646 12.549 37.868 1.00 8.16 H new ATOM 535 N ASN A 66 4.307 10.672 40.504 1.00 9.85 N ATOM 536 CA ASN A 66 3.284 9.706 40.973 1.00 10.03 C ATOM 537 C ASN A 66 2.109 9.568 40.048 1.00 9.44 C ATOM 538 O ASN A 66 1.478 10.586 39.778 1.00 8.73 O ATOM 539 CB ASN A 66 2.788 10.125 42.384 1.00 10.28 C ATOM 540 CG ASN A 66 1.838 9.070 42.956 1.00 11.49 C ATOM 541 OD1 ASN A 66 2.066 7.855 42.883 1.00 12.01 O ATOM 542 ND2 ASN A 66 0.724 9.577 43.469 1.00 12.08 N ATOM 0 H ASN A 66 4.136 11.503 40.644 1.00 9.85 H new ATOM 0 HA ASN A 66 3.715 8.838 40.998 1.00 10.03 H new ATOM 0 HB2 ASN A 66 3.546 10.241 42.978 1.00 10.28 H new ATOM 0 HB3 ASN A 66 2.335 10.981 42.332 1.00 10.28 H new ATOM 0 HD21 ASN A 66 0.113 9.053 43.773 1.00 12.08 H new ATOM 0 HD22 ASN A 66 0.613 10.429 43.497 1.00 12.08 H new ATOM 543 N ASP A 67 1.798 8.327 39.653 1.00 9.27 N ATOM 544 CA ASP A 67 0.628 8.059 38.810 1.00 9.88 C ATOM 545 C ASP A 67 -0.302 7.061 39.547 1.00 10.36 C ATOM 546 O ASP A 67 -1.331 6.622 39.042 1.00 9.97 O ATOM 547 CB ASP A 67 0.987 7.676 37.374 1.00 10.56 C ATOM 548 CG ASP A 67 1.614 6.294 37.230 1.00 10.27 C ATOM 549 OD1 ASP A 67 1.856 5.577 38.255 1.00 10.59 O ATOM 550 OD2 ASP A 67 1.842 5.938 36.044 1.00 10.50 O ATOM 0 H ASP A 67 2.253 7.628 39.863 1.00 9.27 H new ATOM 0 HA ASP A 67 0.128 8.881 38.682 1.00 9.88 H new ATOM 0 HB2 ASP A 67 0.184 7.713 36.830 1.00 10.56 H new ATOM 0 HB3 ASP A 67 1.602 8.337 37.018 1.00 10.56 H new ATOM 551 N GLY A 68 0.017 6.741 40.778 1.00 10.80 N ATOM 552 CA GLY A 68 -0.698 5.872 41.673 1.00 12.46 C ATOM 553 C GLY A 68 -0.729 4.400 41.294 1.00 12.75 C ATOM 554 O GLY A 68 -0.937 3.628 42.235 1.00 13.44 O ATOM 0 H GLY A 68 0.727 7.058 41.146 1.00 10.80 H new ATOM 0 HA2 GLY A 68 -0.304 5.952 42.556 1.00 12.46 H new ATOM 0 HA3 GLY A 68 -1.612 6.189 41.741 1.00 12.46 H new ATOM 555 N LYS A 69 -0.543 4.058 40.045 1.00 13.37 N ATOM 556 CA LYS A 69 -0.645 2.667 39.589 1.00 13.84 C ATOM 557 C LYS A 69 0.674 1.974 39.365 1.00 13.58 C ATOM 558 O LYS A 69 0.592 0.837 38.823 1.00 15.81 O ATOM 559 CB LYS A 69 -1.488 2.604 38.308 1.00 14.05 C ATOM 560 CG LYS A 69 -0.921 3.298 37.073 1.00 14.42 C ATOM 561 CD LYS A 69 -1.833 3.092 35.887 1.00 16.17 C ATOM 562 CE LYS A 69 -1.271 3.673 34.599 1.00 20.74 C ATOM 563 NZ LYS A 69 -2.442 4.156 33.747 1.00 25.86 N ATOM 0 H LYS A 69 -0.352 4.619 39.421 1.00 13.37 H new ATOM 0 HA LYS A 69 -1.072 2.185 40.314 1.00 13.84 H new ATOM 0 HB2 LYS A 69 -1.635 1.671 38.089 1.00 14.05 H new ATOM 0 HB3 LYS A 69 -2.357 2.991 38.499 1.00 14.05 H new ATOM 0 HG2 LYS A 69 -0.817 4.247 37.247 1.00 14.42 H new ATOM 0 HG3 LYS A 69 -0.039 2.947 36.874 1.00 14.42 H new ATOM 0 HD2 LYS A 69 -1.990 2.142 35.767 1.00 16.17 H new ATOM 0 HD3 LYS A 69 -2.693 3.500 36.072 1.00 16.17 H new ATOM 0 HE2 LYS A 69 -0.668 4.407 34.793 1.00 20.74 H new ATOM 0 HE3 LYS A 69 -0.758 3.003 34.121 1.00 20.74 H new ATOM 0 HZ1 LYS A 69 -2.213 4.905 33.324 1.00 25.86 H new ATOM 0 HZ2 LYS A 69 -2.653 3.531 33.150 1.00 25.86 H new ATOM 0 HZ3 LYS A 69 -3.144 4.315 34.270 1.00 25.86 H new ATOM 564 N THR A 70 1.788 2.550 39.711 1.00 13.15 N ATOM 565 CA THR A 70 3.120 1.899 39.503 1.00 13.24 C ATOM 566 C THR A 70 3.582 1.312 40.816 1.00 13.31 C ATOM 567 O THR A 70 3.761 1.962 41.848 1.00 12.50 O ATOM 568 CB THR A 70 4.199 2.943 38.953 1.00 13.80 C ATOM 569 OG1 THR A 70 3.661 3.613 37.773 1.00 11.15 O ATOM 570 CG2 THR A 70 5.567 2.301 38.654 1.00 12.83 C ATOM 0 H THR A 70 1.830 3.328 40.075 1.00 13.15 H new ATOM 0 HA THR A 70 3.029 1.199 38.838 1.00 13.24 H new ATOM 0 HB THR A 70 4.364 3.593 39.654 1.00 13.80 H new ATOM 0 HG1 THR A 70 3.122 4.212 38.012 1.00 11.15 H new ATOM 0 HG21 THR A 70 6.178 2.979 38.325 1.00 12.83 H new ATOM 0 HG22 THR A 70 5.926 1.910 39.466 1.00 12.83 H new ATOM 0 HG23 THR A 70 5.460 1.609 37.982 1.00 12.83 H new ATOM 571 N PRO A 71 3.821 0.010 40.818 1.00 14.12 N ATOM 572 CA PRO A 71 4.242 -0.621 42.093 1.00 15.15 C ATOM 573 C PRO A 71 5.633 -0.214 42.487 1.00 15.49 C ATOM 574 O PRO A 71 6.486 -0.076 41.622 1.00 15.59 O ATOM 575 CB PRO A 71 4.061 -2.116 41.800 1.00 14.78 C ATOM 576 CG PRO A 71 3.452 -2.289 40.459 1.00 14.86 C ATOM 577 CD PRO A 71 3.661 -0.943 39.716 1.00 14.21 C ATOM 0 HA PRO A 71 3.726 -0.348 42.868 1.00 15.15 H new ATOM 0 HB2 PRO A 71 4.918 -2.568 41.837 1.00 14.78 H new ATOM 0 HB3 PRO A 71 3.497 -2.522 42.477 1.00 14.78 H new ATOM 0 HG2 PRO A 71 3.872 -3.019 39.979 1.00 14.86 H new ATOM 0 HG3 PRO A 71 2.509 -2.503 40.531 1.00 14.86 H new ATOM 0 HD2 PRO A 71 4.443 -0.965 39.142 1.00 14.21 H new ATOM 0 HD3 PRO A 71 2.903 -0.720 39.154 1.00 14.21 H new ATOM 578 N GLY A 72 5.894 -0.051 43.784 1.00 16.08 N ATOM 579 CA GLY A 72 7.187 0.288 44.346 1.00 19.09 C ATOM 580 C GLY A 72 7.712 1.633 43.901 1.00 20.24 C ATOM 581 O GLY A 72 8.939 1.900 43.864 1.00 22.74 O ATOM 0 H GLY A 72 5.286 -0.141 44.386 1.00 16.08 H new ATOM 0 HA2 GLY A 72 7.122 0.280 45.314 1.00 19.09 H new ATOM 0 HA3 GLY A 72 7.827 -0.397 44.099 1.00 19.09 H new ATOM 582 N ALA A 73 6.787 2.522 43.542 1.00 19.48 N ATOM 583 CA ALA A 73 7.188 3.829 43.039 1.00 19.16 C ATOM 584 C ALA A 73 7.563 4.822 44.122 1.00 19.21 C ATOM 585 O ALA A 73 7.072 4.821 45.249 1.00 20.43 O ATOM 586 CB ALA A 73 6.018 4.390 42.202 1.00 19.84 C ATOM 0 H ALA A 73 5.938 2.390 43.581 1.00 19.48 H new ATOM 0 HA ALA A 73 7.992 3.705 42.510 1.00 19.16 H new ATOM 0 HB1 ALA A 73 6.258 5.263 41.854 1.00 19.84 H new ATOM 0 HB2 ALA A 73 5.830 3.789 41.465 1.00 19.84 H new ATOM 0 HB3 ALA A 73 5.230 4.472 42.761 1.00 19.84 H new ATOM 587 N VAL A 74 8.475 5.672 43.753 1.00 17.90 N ATOM 588 CA VAL A 74 8.928 6.796 44.582 1.00 19.92 C ATOM 589 C VAL A 74 8.524 8.001 43.682 1.00 19.98 C ATOM 590 O VAL A 74 8.249 7.827 42.462 1.00 21.49 O ATOM 591 CB VAL A 74 10.356 6.654 45.032 1.00 20.60 C ATOM 592 CG1 VAL A 74 10.434 5.380 45.954 1.00 24.00 C ATOM 593 CG2 VAL A 74 11.384 6.537 43.931 1.00 22.62 C ATOM 0 H VAL A 74 8.873 5.627 42.992 1.00 17.90 H new ATOM 0 HA VAL A 74 8.530 6.886 45.462 1.00 19.92 H new ATOM 0 HB VAL A 74 10.584 7.477 45.492 1.00 20.60 H new ATOM 0 HG11 VAL A 74 11.346 5.259 46.263 1.00 24.00 H new ATOM 0 HG12 VAL A 74 9.847 5.497 46.718 1.00 24.00 H new ATOM 0 HG13 VAL A 74 10.157 4.598 45.450 1.00 24.00 H new ATOM 0 HG21 VAL A 74 12.268 6.450 44.321 1.00 22.62 H new ATOM 0 HG22 VAL A 74 11.192 5.755 43.390 1.00 22.62 H new ATOM 0 HG23 VAL A 74 11.353 7.330 43.374 1.00 22.62 H new ATOM 594 N ASN A 75 8.416 9.118 44.292 1.00 18.38 N ATOM 595 CA ASN A 75 7.985 10.340 43.595 1.00 15.99 C ATOM 596 C ASN A 75 9.061 11.375 43.957 1.00 15.61 C ATOM 597 O ASN A 75 8.813 12.293 44.761 1.00 15.84 O ATOM 598 CB ASN A 75 6.558 10.590 44.098 1.00 15.18 C ATOM 599 CG ASN A 75 6.000 11.905 43.585 1.00 14.74 C ATOM 600 OD1 ASN A 75 6.594 12.486 42.680 1.00 14.46 O ATOM 601 ND2 ASN A 75 4.894 12.352 44.167 1.00 14.55 N ATOM 0 H ASN A 75 8.584 9.226 45.128 1.00 18.38 H new ATOM 0 HA ASN A 75 7.926 10.334 42.627 1.00 15.99 H new ATOM 0 HB2 ASN A 75 5.983 9.862 43.814 1.00 15.18 H new ATOM 0 HB3 ASN A 75 6.553 10.593 45.068 1.00 15.18 H new ATOM 0 HD21 ASN A 75 4.546 13.097 43.914 1.00 14.55 H new ATOM 0 HD22 ASN A 75 4.525 11.897 44.797 1.00 14.55 H new ATOM 602 N ALA A 76 10.235 11.126 43.366 1.00 15.24 N ATOM 603 CA ALA A 76 11.387 11.996 43.659 1.00 15.31 C ATOM 604 C ALA A 76 11.087 13.425 43.243 1.00 16.44 C ATOM 605 O ALA A 76 11.568 14.277 44.049 1.00 16.90 O ATOM 606 CB ALA A 76 12.720 11.507 43.180 1.00 14.98 C ATOM 0 H ALA A 76 10.385 10.485 42.813 1.00 15.24 H new ATOM 0 HA ALA A 76 11.496 11.967 44.622 1.00 15.31 H new ATOM 0 HB1 ALA A 76 13.406 12.148 43.422 1.00 14.98 H new ATOM 0 HB2 ALA A 76 12.918 10.651 43.592 1.00 14.98 H new ATOM 0 HB3 ALA A 76 12.700 11.404 42.216 1.00 14.98 H new ATOM 607 N CYS A 77 10.316 13.647 42.166 1.00 14.55 N ATOM 608 CA CYS A 77 10.041 15.071 41.847 1.00 14.00 C ATOM 609 C CYS A 77 8.909 15.696 42.637 1.00 13.60 C ATOM 610 O CYS A 77 8.631 16.911 42.466 1.00 12.66 O ATOM 611 CB CYS A 77 9.825 15.302 40.348 1.00 11.76 C ATOM 612 SG CYS A 77 11.239 14.865 39.333 1.00 10.27 S ATOM 0 H CYS A 77 9.969 13.055 41.648 1.00 14.55 H new ATOM 0 HA CYS A 77 10.851 15.527 42.126 1.00 14.00 H new ATOM 0 HB2 CYS A 77 9.057 14.785 40.057 1.00 11.76 H new ATOM 0 HB3 CYS A 77 9.609 16.236 40.202 1.00 11.76 H new ATOM 613 N HIS A 78 8.229 14.934 43.455 1.00 13.49 N ATOM 614 CA HIS A 78 7.089 15.379 44.246 1.00 14.00 C ATOM 615 C HIS A 78 6.051 16.032 43.343 1.00 14.35 C ATOM 616 O HIS A 78 5.555 17.170 43.569 1.00 13.93 O ATOM 617 CB HIS A 78 7.457 16.312 45.424 1.00 19.71 C ATOM 618 CG HIS A 78 8.876 16.209 45.880 1.00 26.99 C ATOM 619 ND1 HIS A 78 9.727 17.311 45.989 1.00 30.22 N ATOM 620 CD2 HIS A 78 9.615 15.122 46.265 1.00 29.19 C ATOM 621 CE1 HIS A 78 10.912 16.889 46.396 1.00 30.79 C ATOM 622 NE2 HIS A 78 10.885 15.575 46.558 1.00 30.27 N ATOM 0 H HIS A 78 8.419 14.104 43.577 1.00 13.49 H new ATOM 0 HA HIS A 78 6.718 14.582 44.657 1.00 14.00 H new ATOM 0 HB2 HIS A 78 7.280 17.229 45.162 1.00 19.71 H new ATOM 0 HB3 HIS A 78 6.874 16.113 46.173 1.00 19.71 H new ATOM 0 HD2 HIS A 78 9.317 14.243 46.319 1.00 29.19 H new ATOM 0 HE1 HIS A 78 11.652 17.432 46.546 1.00 30.79 H new ATOM 0 HE2 HIS A 78 11.548 15.086 46.805 1.00 30.27 H new ATOM 623 N LEU A 79 5.633 15.322 42.286 1.00 11.82 N ATOM 624 CA LEU A 79 4.635 15.780 41.354 1.00 12.35 C ATOM 625 C LEU A 79 3.736 14.614 40.892 1.00 11.24 C ATOM 626 O LEU A 79 4.279 13.523 40.772 1.00 10.79 O ATOM 627 CB LEU A 79 5.312 16.162 39.990 1.00 14.52 C ATOM 628 CG LEU A 79 6.144 17.403 39.871 1.00 15.98 C ATOM 629 CD1 LEU A 79 6.918 17.412 38.552 1.00 15.63 C ATOM 630 CD2 LEU A 79 5.227 18.611 39.977 1.00 17.39 C ATOM 0 H LEU A 79 5.940 14.541 42.099 1.00 11.82 H new ATOM 0 HA LEU A 79 4.166 16.499 41.805 1.00 12.35 H new ATOM 0 HB2 LEU A 79 5.874 15.415 39.731 1.00 14.52 H new ATOM 0 HB3 LEU A 79 4.605 16.227 39.329 1.00 14.52 H new ATOM 0 HG LEU A 79 6.798 17.431 40.587 1.00 15.98 H new ATOM 0 HD11 LEU A 79 7.449 18.221 38.494 1.00 15.63 H new ATOM 0 HD12 LEU A 79 7.502 16.639 38.514 1.00 15.63 H new ATOM 0 HD13 LEU A 79 6.294 17.382 37.810 1.00 15.63 H new ATOM 0 HD21 LEU A 79 5.752 19.423 39.902 1.00 17.39 H new ATOM 0 HD22 LEU A 79 4.571 18.583 39.263 1.00 17.39 H new ATOM 0 HD23 LEU A 79 4.773 18.598 40.834 1.00 17.39 H new ATOM 631 N SER A 80 2.530 14.990 40.550 1.00 9.84 N ATOM 632 CA SER A 80 1.606 14.018 39.922 1.00 9.05 C ATOM 633 C SER A 80 2.144 13.838 38.493 1.00 9.20 C ATOM 634 O SER A 80 2.625 14.851 37.896 1.00 8.22 O ATOM 635 CB SER A 80 0.224 14.665 39.856 1.00 9.78 C ATOM 636 OG SER A 80 -0.498 14.033 38.809 1.00 12.76 O ATOM 0 H SER A 80 2.211 15.781 40.661 1.00 9.84 H new ATOM 0 HA SER A 80 1.546 13.177 40.401 1.00 9.05 H new ATOM 0 HB2 SER A 80 -0.241 14.562 40.701 1.00 9.78 H new ATOM 0 HB3 SER A 80 0.302 15.617 39.690 1.00 9.78 H new ATOM 0 HG SER A 80 -1.265 14.371 38.753 1.00 12.76 H new ATOM 637 N CYS A 81 2.138 12.641 37.906 1.00 8.26 N ATOM 638 CA CYS A 81 2.597 12.441 36.553 1.00 7.74 C ATOM 639 C CYS A 81 1.742 13.317 35.621 1.00 7.31 C ATOM 640 O CYS A 81 2.203 13.614 34.519 1.00 8.97 O ATOM 641 CB CYS A 81 2.593 10.981 36.067 1.00 7.13 C ATOM 642 SG CYS A 81 3.827 10.052 37.063 1.00 9.03 S ATOM 0 H CYS A 81 1.864 11.923 38.293 1.00 8.26 H new ATOM 0 HA CYS A 81 3.532 12.698 36.536 1.00 7.74 H new ATOM 0 HB2 CYS A 81 1.711 10.591 36.170 1.00 7.13 H new ATOM 0 HB3 CYS A 81 2.815 10.936 35.124 1.00 7.13 H new ATOM 643 N SER A 82 0.561 13.702 36.001 1.00 7.17 N ATOM 644 CA SER A 82 -0.271 14.597 35.155 1.00 8.73 C ATOM 645 C SER A 82 0.500 15.898 34.829 1.00 8.79 C ATOM 646 O SER A 82 0.380 16.474 33.722 1.00 10.42 O ATOM 647 CB SER A 82 -1.521 15.004 35.945 1.00 8.96 C ATOM 648 OG SER A 82 -2.450 15.639 35.072 1.00 9.41 O ATOM 0 H SER A 82 0.195 13.471 36.744 1.00 7.17 H new ATOM 0 HA SER A 82 -0.498 14.126 34.338 1.00 8.73 H new ATOM 0 HB2 SER A 82 -1.927 14.222 36.352 1.00 8.96 H new ATOM 0 HB3 SER A 82 -1.278 15.605 36.666 1.00 8.96 H new ATOM 0 HG SER A 82 -2.046 15.927 34.394 1.00 9.41 H new ATOM 649 N ALA A 83 1.231 16.385 35.772 1.00 8.39 N ATOM 650 CA ALA A 83 2.004 17.624 35.631 1.00 9.00 C ATOM 651 C ALA A 83 2.968 17.599 34.437 1.00 9.89 C ATOM 652 O ALA A 83 3.365 18.672 33.934 1.00 9.16 O ATOM 653 CB ALA A 83 2.776 17.896 36.930 1.00 8.73 C ATOM 0 H ALA A 83 1.312 16.014 36.544 1.00 8.39 H new ATOM 0 HA ALA A 83 1.372 18.339 35.459 1.00 9.00 H new ATOM 0 HB1 ALA A 83 3.287 18.715 36.837 1.00 8.73 H new ATOM 0 HB2 ALA A 83 2.150 17.987 37.665 1.00 8.73 H new ATOM 0 HB3 ALA A 83 3.379 17.158 37.109 1.00 8.73 H new ATOM 654 N LEU A 84 3.373 16.406 34.059 1.00 8.90 N ATOM 655 CA LEU A 84 4.293 16.190 32.975 1.00 9.91 C ATOM 656 C LEU A 84 3.598 16.064 31.626 1.00 9.59 C ATOM 657 O LEU A 84 4.295 15.708 30.650 1.00 12.27 O ATOM 658 CB LEU A 84 5.154 14.950 33.295 1.00 9.75 C ATOM 659 CG LEU A 84 5.918 14.960 34.610 1.00 11.03 C ATOM 660 CD1 LEU A 84 6.752 13.666 34.686 1.00 12.79 C ATOM 661 CD2 LEU A 84 6.850 16.154 34.766 1.00 13.21 C ATOM 0 H LEU A 84 3.111 15.680 34.438 1.00 8.90 H new ATOM 0 HA LEU A 84 4.864 16.970 32.895 1.00 9.91 H new ATOM 0 HB2 LEU A 84 4.575 14.172 33.289 1.00 9.75 H new ATOM 0 HB3 LEU A 84 5.794 14.834 32.575 1.00 9.75 H new ATOM 0 HG LEU A 84 5.265 15.022 35.325 1.00 11.03 H new ATOM 0 HD11 LEU A 84 7.249 13.650 35.519 1.00 12.79 H new ATOM 0 HD12 LEU A 84 6.161 12.897 34.648 1.00 12.79 H new ATOM 0 HD13 LEU A 84 7.371 13.635 33.940 1.00 12.79 H new ATOM 0 HD21 LEU A 84 7.304 16.100 35.621 1.00 13.21 H new ATOM 0 HD22 LEU A 84 7.506 16.149 34.051 1.00 13.21 H new ATOM 0 HD23 LEU A 84 6.334 16.975 34.725 1.00 13.21 H new ATOM 662 N LEU A 85 2.313 16.289 31.565 1.00 9.61 N ATOM 663 CA LEU A 85 1.553 16.202 30.321 1.00 10.65 C ATOM 664 C LEU A 85 1.000 17.605 29.974 1.00 12.27 C ATOM 665 O LEU A 85 0.272 17.694 28.999 1.00 14.04 O ATOM 666 CB LEU A 85 0.482 15.111 30.391 1.00 10.37 C ATOM 667 CG LEU A 85 0.930 13.652 30.536 1.00 10.62 C ATOM 668 CD1 LEU A 85 -0.289 12.744 30.500 1.00 12.54 C ATOM 669 CD2 LEU A 85 1.861 13.240 29.397 1.00 10.48 C ATOM 0 H LEU A 85 1.837 16.501 32.249 1.00 9.61 H new ATOM 0 HA LEU A 85 2.133 15.928 29.593 1.00 10.65 H new ATOM 0 HB2 LEU A 85 -0.099 15.316 31.140 1.00 10.37 H new ATOM 0 HB3 LEU A 85 -0.057 15.175 29.587 1.00 10.37 H new ATOM 0 HG LEU A 85 1.403 13.569 31.379 1.00 10.62 H new ATOM 0 HD11 LEU A 85 -0.008 11.820 30.592 1.00 12.54 H new ATOM 0 HD12 LEU A 85 -0.885 12.974 31.230 1.00 12.54 H new ATOM 0 HD13 LEU A 85 -0.753 12.858 29.656 1.00 12.54 H new ATOM 0 HD21 LEU A 85 2.127 12.315 29.515 1.00 10.48 H new ATOM 0 HD22 LEU A 85 1.399 13.337 28.550 1.00 10.48 H new ATOM 0 HD23 LEU A 85 2.649 13.806 29.402 1.00 10.48 H new ATOM 670 N GLN A 86 1.429 18.631 30.649 1.00 13.39 N ATOM 671 CA GLN A 86 0.917 20.020 30.376 1.00 13.93 C ATOM 672 C GLN A 86 1.582 20.677 29.188 1.00 12.90 C ATOM 673 O GLN A 86 2.716 20.284 28.866 1.00 13.31 O ATOM 674 CB GLN A 86 1.205 20.921 31.575 1.00 15.47 C ATOM 675 CG GLN A 86 0.749 20.451 32.938 1.00 18.99 C ATOM 676 CD GLN A 86 1.159 21.501 33.981 1.00 20.27 C ATOM 677 OE1 GLN A 86 0.621 22.623 33.881 1.00 23.38 O ATOM 678 NE2 GLN A 86 2.063 21.187 34.881 1.00 18.47 N ATOM 0 H GLN A 86 2.015 18.584 31.276 1.00 13.39 H new ATOM 0 HA GLN A 86 -0.032 19.920 30.199 1.00 13.93 H new ATOM 0 HB2 GLN A 86 2.163 21.066 31.615 1.00 15.47 H new ATOM 0 HB3 GLN A 86 0.795 21.783 31.405 1.00 15.47 H new ATOM 0 HG2 GLN A 86 -0.213 20.326 32.946 1.00 18.99 H new ATOM 0 HG3 GLN A 86 1.149 19.593 33.149 1.00 18.99 H new ATOM 0 HE21 GLN A 86 2.396 20.394 34.897 1.00 18.47 H new ATOM 0 HE22 GLN A 86 2.322 21.774 35.454 1.00 18.47 H new ATOM 679 N ASP A 87 0.932 21.696 28.600 1.00 12.88 N ATOM 680 CA ASP A 87 1.535 22.398 27.455 1.00 13.47 C ATOM 681 C ASP A 87 2.709 23.263 27.962 1.00 12.61 C ATOM 682 O ASP A 87 3.631 23.497 27.164 1.00 14.48 O ATOM 683 CB ASP A 87 0.503 23.179 26.643 1.00 16.00 C ATOM 684 CG ASP A 87 -0.515 22.294 25.931 1.00 19.96 C ATOM 685 OD1 ASP A 87 -0.277 21.106 25.714 1.00 19.81 O ATOM 686 OD2 ASP A 87 -1.566 22.886 25.562 1.00 24.64 O ATOM 0 H ASP A 87 0.161 21.989 28.842 1.00 12.88 H new ATOM 0 HA ASP A 87 1.889 21.749 26.828 1.00 13.47 H new ATOM 0 HB2 ASP A 87 0.033 23.788 27.233 1.00 16.00 H new ATOM 0 HB3 ASP A 87 0.965 23.721 25.985 1.00 16.00 H new ATOM 687 N ASN A 88 2.596 23.718 29.187 1.00 11.65 N ATOM 688 CA ASN A 88 3.623 24.549 29.830 1.00 13.24 C ATOM 689 C ASN A 88 4.679 23.545 30.356 1.00 11.71 C ATOM 690 O ASN A 88 4.190 22.808 31.251 1.00 12.68 O ATOM 691 CB ASN A 88 3.037 25.329 31.025 1.00 14.86 C ATOM 692 CG ASN A 88 4.058 26.299 31.595 1.00 17.91 C ATOM 693 OD1 ASN A 88 5.140 25.892 32.024 1.00 17.51 O ATOM 694 ND2 ASN A 88 3.767 27.628 31.559 1.00 19.59 N ATOM 0 H ASN A 88 1.916 23.558 29.688 1.00 11.65 H new ATOM 0 HA ASN A 88 3.988 25.199 29.209 1.00 13.24 H new ATOM 0 HB2 ASN A 88 2.247 25.815 30.742 1.00 14.86 H new ATOM 0 HB3 ASN A 88 2.756 24.708 31.715 1.00 14.86 H new ATOM 0 HD21 ASN A 88 4.343 28.202 31.839 1.00 19.59 H new ATOM 0 HD22 ASN A 88 3.007 27.894 31.256 1.00 19.59 H new ATOM 695 N ILE A 89 5.881 23.606 29.832 1.00 10.32 N ATOM 696 CA ILE A 89 6.869 22.579 30.362 1.00 11.22 C ATOM 697 C ILE A 89 7.614 22.941 31.629 1.00 10.20 C ATOM 698 O ILE A 89 8.572 22.184 31.989 1.00 8.86 O ATOM 699 CB ILE A 89 7.778 22.167 29.174 1.00 12.01 C ATOM 700 CG1 ILE A 89 8.659 23.389 28.792 1.00 13.44 C ATOM 701 CG2 ILE A 89 6.955 21.558 27.993 1.00 11.18 C ATOM 702 CD1 ILE A 89 9.733 23.096 27.713 1.00 16.92 C ATOM 0 H ILE A 89 6.161 24.155 29.233 1.00 10.32 H new ATOM 0 HA ILE A 89 6.366 21.816 30.688 1.00 11.22 H new ATOM 0 HB ILE A 89 8.373 21.445 29.431 1.00 12.01 H new ATOM 0 HG12 ILE A 89 8.083 24.101 28.473 1.00 13.44 H new ATOM 0 HG13 ILE A 89 9.101 23.717 29.591 1.00 13.44 H new ATOM 0 HG21 ILE A 89 7.556 21.314 27.272 1.00 11.18 H new ATOM 0 HG22 ILE A 89 6.482 20.769 28.301 1.00 11.18 H new ATOM 0 HG23 ILE A 89 6.315 22.213 27.672 1.00 11.18 H new ATOM 0 HD11 ILE A 89 10.238 23.904 27.531 1.00 16.92 H new ATOM 0 HD12 ILE A 89 10.334 22.405 28.033 1.00 16.92 H new ATOM 0 HD13 ILE A 89 9.300 22.795 26.899 1.00 16.92 H new ATOM 703 N ALA A 90 7.208 23.978 32.370 1.00 8.15 N ATOM 704 CA ALA A 90 8.008 24.303 33.584 1.00 8.69 C ATOM 705 C ALA A 90 8.228 23.151 34.569 1.00 8.08 C ATOM 706 O ALA A 90 9.373 22.955 35.053 1.00 8.42 O ATOM 707 CB ALA A 90 7.437 25.526 34.285 1.00 8.95 C ATOM 0 H ALA A 90 6.526 24.479 32.214 1.00 8.15 H new ATOM 0 HA ALA A 90 8.898 24.495 33.249 1.00 8.69 H new ATOM 0 HB1 ALA A 90 7.967 25.725 35.072 1.00 8.95 H new ATOM 0 HB2 ALA A 90 7.458 26.285 33.681 1.00 8.95 H new ATOM 0 HB3 ALA A 90 6.521 25.349 34.549 1.00 8.95 H new ATOM 708 N ASP A 91 7.168 22.452 34.888 1.00 8.70 N ATOM 709 CA ASP A 91 7.197 21.293 35.831 1.00 9.34 C ATOM 710 C ASP A 91 8.091 20.183 35.284 1.00 9.57 C ATOM 711 O ASP A 91 8.861 19.592 36.058 1.00 9.24 O ATOM 712 CB ASP A 91 5.816 20.773 36.191 1.00 12.79 C ATOM 713 CG ASP A 91 4.969 21.786 36.959 1.00 17.74 C ATOM 714 OD1 ASP A 91 3.792 21.978 36.625 1.00 20.92 O ATOM 715 OD2 ASP A 91 5.518 22.434 37.878 1.00 18.47 O ATOM 0 H ASP A 91 6.385 22.618 34.572 1.00 8.70 H new ATOM 0 HA ASP A 91 7.576 21.618 36.663 1.00 9.34 H new ATOM 0 HB2 ASP A 91 5.350 20.522 35.378 1.00 12.79 H new ATOM 0 HB3 ASP A 91 5.909 19.968 36.725 1.00 12.79 H new ATOM 716 N ALA A 92 7.944 19.881 34.008 1.00 8.93 N ATOM 717 CA ALA A 92 8.766 18.831 33.379 1.00 7.65 C ATOM 718 C ALA A 92 10.228 19.218 33.422 1.00 9.29 C ATOM 719 O ALA A 92 11.124 18.358 33.643 1.00 9.06 O ATOM 720 CB ALA A 92 8.242 18.529 31.978 1.00 7.08 C ATOM 0 H ALA A 92 7.381 20.262 33.481 1.00 8.93 H new ATOM 0 HA ALA A 92 8.696 18.002 33.878 1.00 7.65 H new ATOM 0 HB1 ALA A 92 8.787 17.838 31.570 1.00 7.08 H new ATOM 0 HB2 ALA A 92 7.323 18.224 32.035 1.00 7.08 H new ATOM 0 HB3 ALA A 92 8.282 19.333 31.437 1.00 7.08 H new ATOM 721 N VAL A 93 10.555 20.498 33.202 1.00 8.44 N ATOM 722 CA VAL A 93 11.968 20.945 33.255 1.00 7.98 C ATOM 723 C VAL A 93 12.502 20.834 34.682 1.00 7.94 C ATOM 724 O VAL A 93 13.643 20.411 34.926 1.00 8.12 O ATOM 725 CB VAL A 93 12.108 22.398 32.704 1.00 8.33 C ATOM 726 CG1 VAL A 93 13.430 23.012 33.191 1.00 10.25 C ATOM 727 CG2 VAL A 93 12.015 22.385 31.176 1.00 9.76 C ATOM 0 H VAL A 93 9.988 21.119 33.023 1.00 8.44 H new ATOM 0 HA VAL A 93 12.502 20.366 32.688 1.00 7.98 H new ATOM 0 HB VAL A 93 11.384 22.949 33.039 1.00 8.33 H new ATOM 0 HG11 VAL A 93 13.514 23.915 32.847 1.00 10.25 H new ATOM 0 HG12 VAL A 93 13.439 23.034 34.161 1.00 10.25 H new ATOM 0 HG13 VAL A 93 14.173 22.475 32.873 1.00 10.25 H new ATOM 0 HG21 VAL A 93 12.103 23.290 30.839 1.00 9.76 H new ATOM 0 HG22 VAL A 93 12.727 21.835 30.813 1.00 9.76 H new ATOM 0 HG23 VAL A 93 11.157 22.022 30.907 1.00 9.76 H new ATOM 728 N ALA A 94 11.684 21.279 35.642 1.00 8.25 N ATOM 729 CA ALA A 94 12.171 21.212 37.042 1.00 9.46 C ATOM 730 C ALA A 94 12.351 19.700 37.362 1.00 8.65 C ATOM 731 O ALA A 94 13.297 19.414 38.135 1.00 10.33 O ATOM 732 CB ALA A 94 11.247 21.975 37.956 1.00 9.75 C ATOM 0 H ALA A 94 10.896 21.603 35.526 1.00 8.25 H new ATOM 0 HA ALA A 94 13.027 21.648 37.178 1.00 9.46 H new ATOM 0 HB1 ALA A 94 11.577 21.923 38.867 1.00 9.75 H new ATOM 0 HB2 ALA A 94 11.211 22.904 37.678 1.00 9.75 H new ATOM 0 HB3 ALA A 94 10.358 21.590 37.912 1.00 9.75 H new ATOM 733 N CYS A 95 11.522 18.848 36.815 1.00 6.56 N ATOM 734 CA CYS A 95 11.714 17.398 37.127 1.00 8.25 C ATOM 735 C CYS A 95 12.978 16.860 36.427 1.00 8.56 C ATOM 736 O CYS A 95 13.772 16.102 37.055 1.00 8.77 O ATOM 737 CB CYS A 95 10.469 16.587 36.862 1.00 9.28 C ATOM 738 SG CYS A 95 10.562 14.837 37.425 1.00 10.40 S ATOM 0 H CYS A 95 10.871 19.042 36.288 1.00 6.56 H new ATOM 0 HA CYS A 95 11.866 17.303 38.080 1.00 8.25 H new ATOM 0 HB2 CYS A 95 9.718 17.016 37.301 1.00 9.28 H new ATOM 0 HB3 CYS A 95 10.286 16.599 35.910 1.00 9.28 H new ATOM 739 N ALA A 96 13.151 17.217 35.165 1.00 7.12 N ATOM 740 CA ALA A 96 14.334 16.776 34.414 1.00 7.75 C ATOM 741 C ALA A 96 15.597 17.211 35.119 1.00 8.06 C ATOM 742 O ALA A 96 16.629 16.498 35.100 1.00 8.18 O ATOM 743 CB ALA A 96 14.231 17.189 32.960 1.00 9.01 C ATOM 0 H ALA A 96 12.604 17.710 34.720 1.00 7.12 H new ATOM 0 HA ALA A 96 14.376 15.807 34.393 1.00 7.75 H new ATOM 0 HB1 ALA A 96 15.020 16.889 32.482 1.00 9.01 H new ATOM 0 HB2 ALA A 96 13.442 16.787 32.564 1.00 9.01 H new ATOM 0 HB3 ALA A 96 14.166 18.155 32.902 1.00 9.01 H new ATOM 744 N LYS A 97 15.588 18.420 35.720 1.00 8.76 N ATOM 745 CA LYS A 97 16.774 18.921 36.442 1.00 8.49 C ATOM 746 C LYS A 97 17.093 18.002 37.640 1.00 9.62 C ATOM 747 O LYS A 97 18.279 17.724 37.906 1.00 9.24 O ATOM 748 CB LYS A 97 16.540 20.339 36.947 1.00 8.22 C ATOM 749 CG LYS A 97 16.698 21.350 35.777 1.00 10.75 C ATOM 750 CD LYS A 97 16.422 22.788 36.302 1.00 9.43 C ATOM 751 CE LYS A 97 16.497 23.786 35.115 1.00 10.80 C ATOM 752 NZ LYS A 97 16.143 25.124 35.661 1.00 11.24 N ATOM 0 H LYS A 97 14.915 18.955 35.720 1.00 8.76 H new ATOM 0 HA LYS A 97 17.522 18.925 35.825 1.00 8.49 H new ATOM 0 HB2 LYS A 97 15.652 20.412 37.330 1.00 8.22 H new ATOM 0 HB3 LYS A 97 17.172 20.548 37.653 1.00 8.22 H new ATOM 0 HG2 LYS A 97 17.593 21.295 35.407 1.00 10.75 H new ATOM 0 HG3 LYS A 97 16.081 21.132 35.061 1.00 10.75 H new ATOM 0 HD2 LYS A 97 15.547 22.830 36.719 1.00 9.43 H new ATOM 0 HD3 LYS A 97 17.072 23.027 36.981 1.00 9.43 H new ATOM 0 HE2 LYS A 97 17.387 23.796 34.729 1.00 10.80 H new ATOM 0 HE3 LYS A 97 15.884 23.529 34.409 1.00 10.80 H new ATOM 0 HZ1 LYS A 97 16.018 25.695 34.990 1.00 11.24 H new ATOM 0 HZ2 LYS A 97 15.395 25.061 36.140 1.00 11.24 H new ATOM 0 HZ3 LYS A 97 16.804 25.417 36.180 1.00 11.24 H new ATOM 753 N ARG A 98 16.028 17.538 38.278 1.00 10.11 N ATOM 754 CA ARG A 98 16.127 16.629 39.443 1.00 11.87 C ATOM 755 C ARG A 98 16.716 15.309 38.961 1.00 10.66 C ATOM 756 O ARG A 98 17.634 14.760 39.604 1.00 11.29 O ATOM 757 CB ARG A 98 14.792 16.396 40.104 1.00 14.76 C ATOM 758 CG ARG A 98 14.751 15.616 41.392 1.00 19.86 C ATOM 759 CD ARG A 98 15.878 15.782 42.335 1.00 22.15 C ATOM 760 NE ARG A 98 16.288 14.535 42.861 1.00 28.25 N ATOM 761 CZ ARG A 98 17.090 13.577 43.247 1.00 26.67 C ATOM 762 NH1 ARG A 98 16.578 12.474 43.784 1.00 26.82 N ATOM 763 NH2 ARG A 98 18.411 13.710 43.188 1.00 26.42 N ATOM 0 H ARG A 98 15.221 17.734 38.057 1.00 10.11 H new ATOM 0 HA ARG A 98 16.697 17.039 40.112 1.00 11.87 H new ATOM 0 HB2 ARG A 98 14.391 17.263 40.272 1.00 14.76 H new ATOM 0 HB3 ARG A 98 14.223 15.939 39.465 1.00 14.76 H new ATOM 0 HG2 ARG A 98 13.935 15.854 41.859 1.00 19.86 H new ATOM 0 HG3 ARG A 98 14.686 14.674 41.168 1.00 19.86 H new ATOM 0 HD2 ARG A 98 16.623 16.206 41.882 1.00 22.15 H new ATOM 0 HD3 ARG A 98 15.614 16.371 43.059 1.00 22.15 H new ATOM 0 HE ARG A 98 15.525 14.183 43.042 1.00 28.25 H new ATOM 0 HH11 ARG A 98 15.726 12.395 43.875 1.00 26.82 H new ATOM 0 HH12 ARG A 98 17.098 11.839 44.041 1.00 26.82 H new ATOM 0 HH21 ARG A 98 18.757 14.439 42.891 1.00 26.42 H new ATOM 0 HH22 ARG A 98 18.920 13.067 43.447 1.00 26.42 H new ATOM 764 N VAL A 99 16.230 14.836 37.825 1.00 9.83 N ATOM 765 CA VAL A 99 16.801 13.551 37.326 1.00 9.38 C ATOM 766 C VAL A 99 18.313 13.578 37.178 1.00 11.30 C ATOM 767 O VAL A 99 18.992 12.613 37.587 1.00 9.19 O ATOM 768 CB VAL A 99 16.190 13.239 35.959 1.00 9.14 C ATOM 769 CG1 VAL A 99 16.863 12.058 35.287 1.00 12.60 C ATOM 770 CG2 VAL A 99 14.689 13.025 36.122 1.00 10.12 C ATOM 0 H VAL A 99 15.615 15.197 37.344 1.00 9.83 H new ATOM 0 HA VAL A 99 16.587 12.873 37.986 1.00 9.38 H new ATOM 0 HB VAL A 99 16.339 13.995 35.370 1.00 9.14 H new ATOM 0 HG11 VAL A 99 16.447 11.895 34.426 1.00 12.60 H new ATOM 0 HG12 VAL A 99 17.805 12.252 35.159 1.00 12.60 H new ATOM 0 HG13 VAL A 99 16.769 11.271 35.846 1.00 12.60 H new ATOM 0 HG21 VAL A 99 14.295 12.827 35.258 1.00 10.12 H new ATOM 0 HG22 VAL A 99 14.531 12.283 36.727 1.00 10.12 H new ATOM 0 HG23 VAL A 99 14.285 13.829 36.485 1.00 10.12 H new ATOM 771 N VAL A 100 18.786 14.653 36.531 1.00 10.82 N ATOM 772 CA VAL A 100 20.228 14.751 36.257 1.00 15.04 C ATOM 773 C VAL A 100 21.035 14.992 37.518 1.00 16.75 C ATOM 774 O VAL A 100 22.217 14.580 37.516 1.00 16.08 O ATOM 775 CB VAL A 100 20.539 15.687 35.069 1.00 14.07 C ATOM 776 CG1 VAL A 100 19.862 15.172 33.772 1.00 14.71 C ATOM 777 CG2 VAL A 100 20.107 17.131 35.294 1.00 14.76 C ATOM 0 H VAL A 100 18.310 15.313 36.252 1.00 10.82 H new ATOM 0 HA VAL A 100 20.534 13.884 35.949 1.00 15.04 H new ATOM 0 HB VAL A 100 21.505 15.677 34.984 1.00 14.07 H new ATOM 0 HG11 VAL A 100 20.069 15.772 33.039 1.00 14.71 H new ATOM 0 HG12 VAL A 100 20.192 14.284 33.565 1.00 14.71 H new ATOM 0 HG13 VAL A 100 18.901 15.138 33.900 1.00 14.71 H new ATOM 0 HG21 VAL A 100 20.331 17.661 34.513 1.00 14.76 H new ATOM 0 HG22 VAL A 100 19.149 17.163 35.442 1.00 14.76 H new ATOM 0 HG23 VAL A 100 20.566 17.489 36.070 1.00 14.76 H new ATOM 778 N ARG A 101 20.446 15.595 38.525 1.00 18.12 N ATOM 779 CA ARG A 101 21.230 15.808 39.752 1.00 23.26 C ATOM 780 C ARG A 101 21.653 14.503 40.401 1.00 26.44 C ATOM 781 O ARG A 101 22.235 14.471 41.481 1.00 27.92 O ATOM 782 CB ARG A 101 20.476 16.710 40.733 1.00 24.95 C ATOM 783 CG ARG A 101 20.362 18.144 40.274 1.00 25.51 C ATOM 784 CD ARG A 101 20.184 19.096 41.414 1.00 25.28 C ATOM 785 NE ARG A 101 18.906 18.863 42.066 1.00 25.28 N ATOM 786 CZ ARG A 101 17.727 19.381 41.745 1.00 23.55 C ATOM 787 NH1 ARG A 101 17.502 20.199 40.731 1.00 22.56 N ATOM 788 NH2 ARG A 101 16.711 19.054 42.548 1.00 24.36 N ATOM 0 H ARG A 101 19.635 15.882 38.537 1.00 18.12 H new ATOM 0 HA ARG A 101 22.047 16.263 39.495 1.00 23.26 H new ATOM 0 HB2 ARG A 101 19.585 16.351 40.871 1.00 24.95 H new ATOM 0 HB3 ARG A 101 20.927 16.688 41.592 1.00 24.95 H new ATOM 0 HG2 ARG A 101 21.158 18.386 39.776 1.00 25.51 H new ATOM 0 HG3 ARG A 101 19.611 18.227 39.666 1.00 25.51 H new ATOM 0 HD2 ARG A 101 20.906 18.985 42.053 1.00 25.28 H new ATOM 0 HD3 ARG A 101 20.229 20.010 41.091 1.00 25.28 H new ATOM 0 HE ARG A 101 18.915 18.327 42.738 1.00 25.28 H new ATOM 0 HH11 ARG A 101 18.150 20.435 40.217 1.00 22.56 H new ATOM 0 HH12 ARG A 101 16.708 20.495 40.585 1.00 22.56 H new ATOM 0 HH21 ARG A 101 16.845 18.538 43.223 1.00 24.36 H new ATOM 0 HH22 ARG A 101 15.923 19.360 42.390 1.00 24.36 H new ATOM 789 N ASP A 102 21.475 13.374 39.769 1.00 30.17 N ATOM 790 CA ASP A 102 21.801 12.009 40.139 1.00 31.89 C ATOM 791 C ASP A 102 22.904 11.317 39.355 1.00 32.03 C ATOM 792 O ASP A 102 22.676 10.889 38.220 1.00 33.49 O ATOM 793 CB ASP A 102 20.468 11.207 40.039 1.00 32.30 C ATOM 794 CG ASP A 102 19.803 11.596 41.363 1.00 36.69 C ATOM 795 OD1 ASP A 102 19.628 10.745 42.234 1.00 38.31 O ATOM 796 OD2 ASP A 102 19.534 12.825 41.465 1.00 37.30 O ATOM 0 H ASP A 102 21.104 13.385 38.993 1.00 30.17 H new ATOM 0 HA ASP A 102 22.179 12.040 41.032 1.00 31.89 H new ATOM 0 HB2 ASP A 102 19.938 11.468 39.270 1.00 32.30 H new ATOM 0 HB3 ASP A 102 20.618 10.251 39.969 1.00 32.30 H new ATOM 797 N GLY A 103 24.029 11.099 39.988 1.00 33.39 N ATOM 798 CA GLY A 103 25.279 10.490 39.657 1.00 32.41 C ATOM 799 C GLY A 103 25.352 9.553 38.447 1.00 32.74 C ATOM 800 O GLY A 103 26.040 8.497 38.386 1.00 31.36 O ATOM 0 H GLY A 103 24.075 11.370 40.803 1.00 33.39 H new ATOM 0 HA2 GLY A 103 25.923 11.202 39.516 1.00 32.41 H new ATOM 0 HA3 GLY A 103 25.575 9.989 40.433 1.00 32.41 H new ATOM 801 N GLN A 104 24.594 9.985 37.457 1.00 30.43 N ATOM 802 CA GLN A 104 24.330 9.517 36.147 1.00 28.25 C ATOM 803 C GLN A 104 24.248 10.725 35.183 1.00 24.68 C ATOM 804 O GLN A 104 24.708 10.538 34.030 1.00 24.78 O ATOM 805 CB GLN A 104 23.075 8.660 35.987 1.00 31.75 C ATOM 806 CG GLN A 104 23.373 7.198 35.737 1.00 33.38 C ATOM 807 CD GLN A 104 22.116 6.350 35.671 1.00 35.77 C ATOM 808 OE1 GLN A 104 21.046 6.712 36.174 1.00 36.07 O ATOM 809 NE2 GLN A 104 22.270 5.187 35.043 1.00 35.43 N ATOM 0 H GLN A 104 24.141 10.705 37.587 1.00 30.43 H new ATOM 0 HA GLN A 104 25.069 8.926 35.935 1.00 28.25 H new ATOM 0 HB2 GLN A 104 22.533 8.740 36.787 1.00 31.75 H new ATOM 0 HB3 GLN A 104 22.547 9.006 35.251 1.00 31.75 H new ATOM 0 HG2 GLN A 104 23.863 7.109 34.905 1.00 33.38 H new ATOM 0 HG3 GLN A 104 23.948 6.863 36.443 1.00 33.38 H new ATOM 0 HE21 GLN A 104 23.034 4.977 34.708 1.00 35.43 H new ATOM 0 HE22 GLN A 104 21.606 4.645 34.972 1.00 35.43 H new ATOM 810 N GLY A 105 23.639 11.833 35.609 1.00 21.38 N ATOM 811 CA GLY A 105 23.573 12.982 34.668 1.00 17.43 C ATOM 812 C GLY A 105 22.653 12.697 33.482 1.00 16.25 C ATOM 813 O GLY A 105 21.610 12.050 33.639 1.00 15.41 O ATOM 0 H GLY A 105 23.278 11.949 36.381 1.00 21.38 H new ATOM 0 HA2 GLY A 105 23.257 13.768 35.140 1.00 17.43 H new ATOM 0 HA3 GLY A 105 24.464 13.185 34.344 1.00 17.43 H new ATOM 814 N ILE A 106 23.012 13.182 32.298 1.00 14.67 N ATOM 815 CA ILE A 106 22.187 13.039 31.083 1.00 14.72 C ATOM 816 C ILE A 106 22.093 11.556 30.632 1.00 14.57 C ATOM 817 O ILE A 106 21.112 11.114 30.010 1.00 13.06 O ATOM 818 CB ILE A 106 22.740 14.024 29.997 1.00 14.42 C ATOM 819 CG1 ILE A 106 21.829 14.106 28.751 1.00 15.93 C ATOM 820 CG2 ILE A 106 24.198 13.682 29.574 1.00 14.06 C ATOM 821 CD1 ILE A 106 20.412 14.713 28.987 1.00 16.41 C ATOM 0 H ILE A 106 23.747 13.609 32.168 1.00 14.67 H new ATOM 0 HA ILE A 106 21.265 13.287 31.256 1.00 14.72 H new ATOM 0 HB ILE A 106 22.746 14.897 30.420 1.00 14.42 H new ATOM 0 HG12 ILE A 106 22.281 14.635 28.075 1.00 15.93 H new ATOM 0 HG13 ILE A 106 21.724 13.212 28.389 1.00 15.93 H new ATOM 0 HG21 ILE A 106 24.497 14.315 28.903 1.00 14.06 H new ATOM 0 HG22 ILE A 106 24.780 13.733 30.348 1.00 14.06 H new ATOM 0 HG23 ILE A 106 24.227 12.785 29.207 1.00 14.06 H new ATOM 0 HD11 ILE A 106 19.920 14.721 28.151 1.00 16.41 H new ATOM 0 HD12 ILE A 106 19.934 14.176 29.638 1.00 16.41 H new ATOM 0 HD13 ILE A 106 20.500 15.620 29.319 1.00 16.41 H new ATOM 822 N ARG A 107 23.130 10.822 31.054 1.00 13.93 N ATOM 823 CA ARG A 107 23.190 9.386 30.740 1.00 15.68 C ATOM 824 C ARG A 107 22.058 8.620 31.394 1.00 14.96 C ATOM 825 O ARG A 107 21.835 7.461 31.016 1.00 13.10 O ATOM 826 CB ARG A 107 24.535 8.757 31.188 1.00 19.91 C ATOM 827 CG ARG A 107 25.733 9.187 30.334 1.00 23.16 C ATOM 828 CD ARG A 107 27.011 8.695 30.967 1.00 25.64 C ATOM 829 NE ARG A 107 28.167 8.768 30.108 1.00 25.73 N ATOM 830 CZ ARG A 107 28.681 9.892 29.599 1.00 28.94 C ATOM 831 NH1 ARG A 107 29.747 9.774 28.780 1.00 28.52 N ATOM 832 NH2 ARG A 107 28.144 11.090 29.889 1.00 26.64 N ATOM 0 H ARG A 107 23.792 11.125 31.511 1.00 13.93 H new ATOM 0 HA ARG A 107 23.108 9.319 29.776 1.00 15.68 H new ATOM 0 HB2 ARG A 107 24.704 8.999 32.112 1.00 19.91 H new ATOM 0 HB3 ARG A 107 24.457 7.791 31.157 1.00 19.91 H new ATOM 0 HG2 ARG A 107 25.647 8.828 29.437 1.00 23.16 H new ATOM 0 HG3 ARG A 107 25.753 10.153 30.253 1.00 23.16 H new ATOM 0 HD2 ARG A 107 27.183 9.214 31.768 1.00 25.64 H new ATOM 0 HD3 ARG A 107 26.887 7.775 31.247 1.00 25.64 H new ATOM 0 HE ARG A 107 28.557 8.029 29.907 1.00 25.73 H new ATOM 0 HH11 ARG A 107 30.070 8.997 28.604 1.00 28.52 H new ATOM 0 HH12 ARG A 107 30.104 10.476 28.434 1.00 28.52 H new ATOM 0 HH21 ARG A 107 27.460 11.140 30.408 1.00 26.64 H new ATOM 0 HH22 ARG A 107 28.484 11.806 29.555 1.00 26.64 H new ATOM 833 N ALA A 108 21.360 9.233 32.323 1.00 14.84 N ATOM 834 CA ALA A 108 20.182 8.596 32.965 1.00 15.22 C ATOM 835 C ALA A 108 19.209 8.060 31.927 1.00 15.74 C ATOM 836 O ALA A 108 18.534 7.032 32.191 1.00 16.42 O ATOM 837 CB ALA A 108 19.470 9.574 33.889 1.00 16.22 C ATOM 0 H ALA A 108 21.537 10.024 32.612 1.00 14.84 H new ATOM 0 HA ALA A 108 20.508 7.850 33.492 1.00 15.22 H new ATOM 0 HB1 ALA A 108 18.706 9.137 34.296 1.00 16.22 H new ATOM 0 HB2 ALA A 108 20.081 9.868 34.582 1.00 16.22 H new ATOM 0 HB3 ALA A 108 19.169 10.341 33.378 1.00 16.22 H new ATOM 838 N TRP A 109 19.115 8.712 30.760 1.00 14.40 N ATOM 839 CA TRP A 109 18.213 8.309 29.677 1.00 12.84 C ATOM 840 C TRP A 109 18.966 7.454 28.654 1.00 11.77 C ATOM 841 O TRP A 109 19.944 7.966 28.063 1.00 10.43 O ATOM 842 CB TRP A 109 17.624 9.527 28.968 1.00 11.22 C ATOM 843 CG TRP A 109 16.541 10.295 29.642 1.00 10.83 C ATOM 844 CD1 TRP A 109 15.183 10.121 29.523 1.00 11.47 C ATOM 845 CD2 TRP A 109 16.706 11.411 30.539 1.00 10.51 C ATOM 846 NE1 TRP A 109 14.507 11.014 30.300 1.00 11.62 N ATOM 847 CE2 TRP A 109 15.406 11.850 30.897 1.00 10.69 C ATOM 848 CE3 TRP A 109 17.825 12.088 30.995 1.00 11.81 C ATOM 849 CZ2 TRP A 109 15.198 12.921 31.754 1.00 10.99 C ATOM 850 CZ3 TRP A 109 17.628 13.169 31.837 1.00 11.98 C ATOM 851 CH2 TRP A 109 16.337 13.591 32.203 1.00 11.30 C ATOM 0 H TRP A 109 19.581 9.411 30.576 1.00 14.40 H new ATOM 0 HA TRP A 109 17.491 7.795 30.071 1.00 12.84 H new ATOM 0 HB2 TRP A 109 18.352 10.142 28.788 1.00 11.22 H new ATOM 0 HB3 TRP A 109 17.283 9.231 28.109 1.00 11.22 H new ATOM 0 HD1 TRP A 109 14.779 9.480 28.984 1.00 11.47 H new ATOM 0 HE1 TRP A 109 13.653 11.046 30.398 1.00 11.62 H new ATOM 0 HE3 TRP A 109 18.681 11.825 30.744 1.00 11.81 H new ATOM 0 HZ2 TRP A 109 14.344 13.179 32.016 1.00 10.99 H new ATOM 0 HZ3 TRP A 109 18.366 13.627 32.168 1.00 11.98 H new ATOM 0 HH2 TRP A 109 16.240 14.332 32.756 1.00 11.30 H new ATOM 852 N VAL A 110 18.586 6.198 28.487 1.00 11.57 N ATOM 853 CA VAL A 110 19.291 5.375 27.501 1.00 12.09 C ATOM 854 C VAL A 110 19.141 5.930 26.103 1.00 11.61 C ATOM 855 O VAL A 110 20.060 5.690 25.297 1.00 12.67 O ATOM 856 CB VAL A 110 18.976 3.842 27.552 1.00 16.79 C ATOM 857 CG1 VAL A 110 19.093 3.249 28.945 1.00 16.23 C ATOM 858 CG2 VAL A 110 17.646 3.572 26.866 1.00 16.64 C ATOM 0 H VAL A 110 17.948 5.809 28.913 1.00 11.57 H new ATOM 0 HA VAL A 110 20.223 5.435 27.763 1.00 12.09 H new ATOM 0 HB VAL A 110 19.661 3.370 27.054 1.00 16.79 H new ATOM 0 HG11 VAL A 110 18.887 2.302 28.912 1.00 16.23 H new ATOM 0 HG12 VAL A 110 19.997 3.372 29.274 1.00 16.23 H new ATOM 0 HG13 VAL A 110 18.470 3.694 29.540 1.00 16.23 H new ATOM 0 HG21 VAL A 110 17.452 2.622 26.898 1.00 16.64 H new ATOM 0 HG22 VAL A 110 16.942 4.061 27.320 1.00 16.64 H new ATOM 0 HG23 VAL A 110 17.694 3.860 25.941 1.00 16.64 H new ATOM 859 N ALA A 111 18.072 6.580 25.711 1.00 12.36 N ATOM 860 CA ALA A 111 17.896 7.184 24.389 1.00 11.04 C ATOM 861 C ALA A 111 19.047 8.176 24.136 1.00 10.61 C ATOM 862 O ALA A 111 19.576 8.289 23.023 1.00 10.48 O ATOM 863 CB ALA A 111 16.542 7.931 24.298 1.00 11.88 C ATOM 0 H ALA A 111 17.390 6.693 26.223 1.00 12.36 H new ATOM 0 HA ALA A 111 17.903 6.482 23.720 1.00 11.04 H new ATOM 0 HB1 ALA A 111 16.447 8.322 23.416 1.00 11.88 H new ATOM 0 HB2 ALA A 111 15.816 7.306 24.454 1.00 11.88 H new ATOM 0 HB3 ALA A 111 16.514 8.633 24.967 1.00 11.88 H new ATOM 864 N TRP A 112 19.441 8.924 25.163 1.00 10.56 N ATOM 865 CA TRP A 112 20.541 9.896 24.987 1.00 9.99 C ATOM 866 C TRP A 112 21.808 9.139 24.604 1.00 9.70 C ATOM 867 O TRP A 112 22.508 9.508 23.656 1.00 7.27 O ATOM 868 CB TRP A 112 20.689 10.845 26.193 1.00 9.45 C ATOM 869 CG TRP A 112 21.808 11.804 25.947 1.00 10.53 C ATOM 870 CD1 TRP A 112 21.705 13.041 25.339 1.00 8.81 C ATOM 871 CD2 TRP A 112 23.198 11.615 26.294 1.00 11.22 C ATOM 872 NE1 TRP A 112 22.965 13.601 25.280 1.00 10.28 N ATOM 873 CE2 TRP A 112 23.885 12.802 25.865 1.00 10.13 C ATOM 874 CE3 TRP A 112 23.909 10.598 26.914 1.00 10.43 C ATOM 875 CZ2 TRP A 112 25.256 12.924 26.019 1.00 10.28 C ATOM 876 CZ3 TRP A 112 25.277 10.734 27.107 1.00 10.91 C ATOM 877 CH2 TRP A 112 25.953 11.889 26.658 1.00 11.78 C ATOM 0 H TRP A 112 19.101 8.893 25.952 1.00 10.56 H new ATOM 0 HA TRP A 112 20.336 10.501 24.257 1.00 9.99 H new ATOM 0 HB2 TRP A 112 19.862 11.330 26.337 1.00 9.45 H new ATOM 0 HB3 TRP A 112 20.862 10.333 26.999 1.00 9.45 H new ATOM 0 HD1 TRP A 112 20.921 13.429 25.024 1.00 8.81 H new ATOM 0 HE1 TRP A 112 23.142 14.361 24.918 1.00 10.28 H new ATOM 0 HE3 TRP A 112 23.471 9.829 27.199 1.00 10.43 H new ATOM 0 HZ2 TRP A 112 25.704 13.676 25.705 1.00 10.28 H new ATOM 0 HZ3 TRP A 112 25.752 10.059 27.535 1.00 10.91 H new ATOM 0 HH2 TRP A 112 26.871 11.964 26.788 1.00 11.78 H new ATOM 878 N ARG A 113 22.107 8.042 25.309 1.00 9.79 N ATOM 879 CA ARG A 113 23.286 7.241 24.951 1.00 11.39 C ATOM 880 C ARG A 113 23.223 6.701 23.509 1.00 11.39 C ATOM 881 O ARG A 113 24.258 6.694 22.781 1.00 11.83 O ATOM 882 CB ARG A 113 23.416 6.059 25.904 1.00 12.36 C ATOM 883 CG ARG A 113 23.724 6.418 27.360 1.00 14.23 C ATOM 884 CD ARG A 113 23.508 5.102 28.083 1.00 19.82 C ATOM 885 NE ARG A 113 22.980 5.268 29.416 1.00 22.83 N ATOM 886 CZ ARG A 113 22.744 4.200 30.187 1.00 25.63 C ATOM 887 NH1 ARG A 113 22.955 2.963 29.713 1.00 25.08 N ATOM 888 NH2 ARG A 113 22.330 4.447 31.427 1.00 26.09 N ATOM 0 H ARG A 113 21.655 7.750 25.980 1.00 9.79 H new ATOM 0 HA ARG A 113 24.054 7.830 25.019 1.00 11.39 H new ATOM 0 HB2 ARG A 113 22.590 5.552 25.880 1.00 12.36 H new ATOM 0 HB3 ARG A 113 24.117 5.475 25.576 1.00 12.36 H new ATOM 0 HG2 ARG A 113 24.632 6.742 27.466 1.00 14.23 H new ATOM 0 HG3 ARG A 113 23.134 7.112 27.692 1.00 14.23 H new ATOM 0 HD2 ARG A 113 22.899 4.551 27.566 1.00 19.82 H new ATOM 0 HD3 ARG A 113 24.351 4.624 28.132 1.00 19.82 H new ATOM 0 HE ARG A 113 22.816 6.057 29.716 1.00 22.83 H new ATOM 0 HH11 ARG A 113 23.243 2.854 28.910 1.00 25.08 H new ATOM 0 HH12 ARG A 113 22.802 2.279 30.212 1.00 25.08 H new ATOM 0 HH21 ARG A 113 22.228 5.259 31.693 1.00 26.09 H new ATOM 0 HH22 ARG A 113 22.164 3.795 31.963 1.00 26.09 H new ATOM 889 N ASN A 114 22.029 6.249 23.090 1.00 11.82 N ATOM 890 CA ASN A 114 21.855 5.660 21.754 1.00 11.98 C ATOM 891 C ASN A 114 21.928 6.612 20.565 1.00 13.29 C ATOM 892 O ASN A 114 22.450 6.290 19.464 1.00 11.90 O ATOM 893 CB ASN A 114 20.478 4.978 21.641 1.00 11.54 C ATOM 894 CG ASN A 114 20.292 3.784 22.552 1.00 13.60 C ATOM 895 OD1 ASN A 114 21.253 3.255 23.100 1.00 16.34 O ATOM 896 ND2 ASN A 114 19.035 3.377 22.692 1.00 16.24 N ATOM 0 H ASN A 114 21.312 6.275 23.564 1.00 11.82 H new ATOM 0 HA ASN A 114 22.611 5.055 21.696 1.00 11.98 H new ATOM 0 HB2 ASN A 114 19.789 5.632 21.839 1.00 11.54 H new ATOM 0 HB3 ASN A 114 20.345 4.694 20.723 1.00 11.54 H new ATOM 0 HD21 ASN A 114 18.855 2.702 23.193 1.00 16.24 H new ATOM 0 HD22 ASN A 114 18.401 3.789 22.282 1.00 16.24 H new ATOM 897 N ARG A 115 21.277 7.788 20.783 1.00 12.38 N ATOM 898 CA ARG A 115 21.137 8.760 19.732 1.00 11.87 C ATOM 899 C ARG A 115 21.894 10.063 19.803 1.00 10.96 C ATOM 900 O ARG A 115 21.902 10.712 18.725 1.00 12.16 O ATOM 901 CB ARG A 115 19.621 9.209 19.654 1.00 15.04 C ATOM 902 CG ARG A 115 18.657 7.987 19.682 1.00 18.15 C ATOM 903 CD ARG A 115 18.441 7.498 18.292 1.00 18.68 C ATOM 904 NE ARG A 115 17.400 6.491 18.218 1.00 22.64 N ATOM 905 CZ ARG A 115 17.040 5.869 17.081 1.00 22.75 C ATOM 906 NH1 ARG A 115 17.620 6.089 15.903 1.00 22.60 N ATOM 907 NH2 ARG A 115 16.031 5.004 17.196 1.00 23.02 N ATOM 0 H ARG A 115 20.923 8.015 21.533 1.00 12.38 H new ATOM 0 HA ARG A 115 21.507 8.273 18.979 1.00 11.87 H new ATOM 0 HB2 ARG A 115 19.419 9.798 20.398 1.00 15.04 H new ATOM 0 HB3 ARG A 115 19.475 9.718 18.841 1.00 15.04 H new ATOM 0 HG2 ARG A 115 19.031 7.280 20.230 1.00 18.15 H new ATOM 0 HG3 ARG A 115 17.810 8.239 20.083 1.00 18.15 H new ATOM 0 HD2 ARG A 115 18.206 8.246 17.721 1.00 18.68 H new ATOM 0 HD3 ARG A 115 19.270 7.129 17.949 1.00 18.68 H new ATOM 0 HE ARG A 115 16.989 6.279 18.943 1.00 22.64 H new ATOM 0 HH11 ARG A 115 18.263 6.656 15.840 1.00 22.60 H new ATOM 0 HH12 ARG A 115 17.351 5.664 15.205 1.00 22.60 H new ATOM 0 HH21 ARG A 115 15.659 4.877 17.961 1.00 23.02 H new ATOM 0 HH22 ARG A 115 15.753 4.573 16.505 1.00 23.02 H new ATOM 908 N CYS A 116 22.403 10.395 20.949 1.00 9.23 N ATOM 909 CA CYS A 116 23.051 11.716 21.106 1.00 10.43 C ATOM 910 C CYS A 116 24.516 11.715 21.483 1.00 9.98 C ATOM 911 O CYS A 116 25.278 12.532 20.925 1.00 8.76 O ATOM 912 CB CYS A 116 22.262 12.505 22.195 1.00 7.58 C ATOM 913 SG CYS A 116 20.483 12.608 21.873 1.00 8.92 S ATOM 0 H CYS A 116 22.399 9.900 21.653 1.00 9.23 H new ATOM 0 HA CYS A 116 23.025 12.121 20.225 1.00 10.43 H new ATOM 0 HB2 CYS A 116 22.403 12.081 23.056 1.00 7.58 H new ATOM 0 HB3 CYS A 116 22.624 13.403 22.258 1.00 7.58 H new ATOM 914 N GLN A 117 24.876 10.825 22.379 1.00 9.44 N ATOM 915 CA GLN A 117 26.239 10.670 22.906 1.00 10.89 C ATOM 916 C GLN A 117 27.250 10.472 21.787 1.00 11.89 C ATOM 917 O GLN A 117 27.079 9.711 20.842 1.00 10.43 O ATOM 918 CB GLN A 117 26.306 9.607 24.000 1.00 11.75 C ATOM 919 CG GLN A 117 27.724 9.227 24.409 1.00 14.92 C ATOM 920 CD GLN A 117 27.741 8.239 25.557 1.00 16.81 C ATOM 921 OE1 GLN A 117 26.834 7.280 25.561 1.00 20.19 O flip ATOM 922 NE2 GLN A 117 28.557 8.375 26.486 1.00 14.56 N flip ATOM 0 H GLN A 117 24.320 10.265 22.720 1.00 9.44 H new ATOM 0 HA GLN A 117 26.491 11.500 23.341 1.00 10.89 H new ATOM 0 HB2 GLN A 117 25.829 9.929 24.781 1.00 11.75 H new ATOM 0 HB3 GLN A 117 25.843 8.811 23.694 1.00 11.75 H new ATOM 0 HG2 GLN A 117 28.187 8.844 23.648 1.00 14.92 H new ATOM 0 HG3 GLN A 117 28.211 10.026 24.665 1.00 14.92 H new ATOM 0 HE21 GLN A 117 29.138 9.009 26.459 1.00 14.56 H new ATOM 0 HE22 GLN A 117 28.540 7.835 27.156 1.00 14.56 H new ATOM 923 N ASN A 118 28.316 11.272 21.917 1.00 12.46 N ATOM 924 CA ASN A 118 29.409 11.270 20.940 1.00 16.81 C ATOM 925 C ASN A 118 28.956 11.664 19.548 1.00 16.04 C ATOM 926 O ASN A 118 29.759 11.367 18.610 1.00 19.95 O ATOM 927 CB ASN A 118 30.187 9.945 20.911 1.00 19.32 C ATOM 928 CG ASN A 118 30.817 9.607 22.247 1.00 21.84 C ATOM 929 OD1 ASN A 118 31.141 10.584 23.069 1.00 25.92 O flip ATOM 930 ND2 ASN A 118 31.011 8.404 22.500 1.00 22.98 N flip ATOM 0 H ASN A 118 28.424 11.825 22.567 1.00 12.46 H new ATOM 0 HA ASN A 118 30.022 11.955 21.249 1.00 16.81 H new ATOM 0 HB2 ASN A 118 29.588 9.228 20.650 1.00 19.32 H new ATOM 0 HB3 ASN A 118 30.880 9.996 20.234 1.00 19.32 H new ATOM 0 HD21 ASN A 118 30.782 7.802 21.930 1.00 22.98 H new ATOM 0 HD22 ASN A 118 31.374 8.174 23.245 1.00 22.98 H new ATOM 931 N ARG A 119 27.817 12.228 19.336 1.00 14.08 N ATOM 932 CA ARG A 119 27.382 12.624 18.008 1.00 13.70 C ATOM 933 C ARG A 119 27.468 14.169 17.904 1.00 12.98 C ATOM 934 O ARG A 119 27.618 14.823 18.925 1.00 12.96 O ATOM 935 CB ARG A 119 25.946 12.207 17.667 1.00 13.18 C ATOM 936 CG ARG A 119 25.895 10.639 17.769 1.00 13.90 C ATOM 937 CD ARG A 119 24.627 10.208 17.125 1.00 15.09 C ATOM 938 NE ARG A 119 24.345 8.820 17.509 1.00 13.81 N ATOM 939 CZ ARG A 119 24.110 7.842 16.662 1.00 14.55 C ATOM 940 NH1 ARG A 119 23.766 6.671 17.160 1.00 15.11 N ATOM 941 NH2 ARG A 119 24.309 8.004 15.369 1.00 16.19 N ATOM 0 H ARG A 119 27.250 12.404 19.958 1.00 14.08 H new ATOM 0 HA ARG A 119 27.966 12.170 17.380 1.00 13.70 H new ATOM 0 HB2 ARG A 119 25.314 12.613 18.281 1.00 13.18 H new ATOM 0 HB3 ARG A 119 25.704 12.502 16.775 1.00 13.18 H new ATOM 0 HG2 ARG A 119 26.659 10.240 17.325 1.00 13.90 H new ATOM 0 HG3 ARG A 119 25.925 10.353 18.696 1.00 13.90 H new ATOM 0 HD2 ARG A 119 23.898 10.786 17.399 1.00 15.09 H new ATOM 0 HD3 ARG A 119 24.699 10.281 16.160 1.00 15.09 H new ATOM 0 HE ARG A 119 24.333 8.633 18.348 1.00 13.81 H new ATOM 0 HH11 ARG A 119 23.702 6.568 18.011 1.00 15.11 H new ATOM 0 HH12 ARG A 119 23.605 6.010 16.634 1.00 15.11 H new ATOM 0 HH21 ARG A 119 24.596 8.757 15.069 1.00 16.19 H new ATOM 0 HH22 ARG A 119 24.152 7.357 14.825 1.00 16.19 H new ATOM 942 N ASP A 120 27.327 14.620 16.675 1.00 13.81 N ATOM 943 CA ASP A 120 27.380 16.078 16.402 1.00 13.66 C ATOM 944 C ASP A 120 25.939 16.536 16.665 1.00 13.98 C ATOM 945 O ASP A 120 25.089 16.221 15.810 1.00 16.39 O ATOM 946 CB ASP A 120 27.896 16.328 14.984 1.00 15.47 C ATOM 947 CG ASP A 120 27.886 17.841 14.704 1.00 17.88 C ATOM 948 OD1 ASP A 120 27.559 18.661 15.577 1.00 17.63 O ATOM 949 OD2 ASP A 120 28.216 18.084 13.527 1.00 19.85 O ATOM 0 H ASP A 120 27.201 14.124 15.984 1.00 13.81 H new ATOM 0 HA ASP A 120 27.997 16.582 16.956 1.00 13.66 H new ATOM 0 HB2 ASP A 120 28.795 15.976 14.888 1.00 15.47 H new ATOM 0 HB3 ASP A 120 27.339 15.865 14.339 1.00 15.47 H new ATOM 950 N VAL A 121 25.707 17.154 17.805 1.00 13.14 N ATOM 951 CA VAL A 121 24.375 17.607 18.178 1.00 13.58 C ATOM 952 C VAL A 121 24.091 19.068 17.845 1.00 13.86 C ATOM 953 O VAL A 121 22.979 19.554 18.173 1.00 12.09 O ATOM 954 CB VAL A 121 24.052 17.293 19.672 1.00 13.35 C ATOM 955 CG1 VAL A 121 23.804 15.801 19.848 1.00 15.66 C ATOM 956 CG2 VAL A 121 25.069 17.802 20.658 1.00 13.49 C ATOM 0 H VAL A 121 26.315 17.325 18.389 1.00 13.14 H new ATOM 0 HA VAL A 121 23.772 17.092 17.620 1.00 13.58 H new ATOM 0 HB VAL A 121 23.244 17.787 19.882 1.00 13.35 H new ATOM 0 HG11 VAL A 121 23.604 15.614 20.778 1.00 15.66 H new ATOM 0 HG12 VAL A 121 23.054 15.530 19.296 1.00 15.66 H new ATOM 0 HG13 VAL A 121 24.596 15.308 19.582 1.00 15.66 H new ATOM 0 HG21 VAL A 121 24.794 17.566 21.558 1.00 13.49 H new ATOM 0 HG22 VAL A 121 25.932 17.402 20.469 1.00 13.49 H new ATOM 0 HG23 VAL A 121 25.137 18.767 20.584 1.00 13.49 H new ATOM 957 N ARG A 122 25.014 19.714 17.153 1.00 15.21 N ATOM 958 CA ARG A 122 24.757 21.160 16.796 1.00 15.67 C ATOM 959 C ARG A 122 23.516 21.365 15.984 1.00 15.55 C ATOM 960 O ARG A 122 22.878 22.425 16.166 1.00 16.04 O ATOM 961 CB ARG A 122 25.958 21.703 15.998 1.00 18.33 C ATOM 962 CG ARG A 122 27.270 21.543 16.703 1.00 21.40 C ATOM 963 CD ARG A 122 28.486 21.920 15.926 1.00 25.40 C ATOM 964 NE ARG A 122 28.840 20.982 14.869 1.00 28.60 N ATOM 965 CZ ARG A 122 29.959 21.129 14.131 1.00 30.61 C ATOM 966 NH1 ARG A 122 30.745 22.189 14.377 1.00 32.16 N ATOM 967 NH2 ARG A 122 30.281 20.250 13.183 1.00 30.03 N ATOM 0 H ARG A 122 25.761 19.385 16.881 1.00 15.21 H new ATOM 0 HA ARG A 122 24.635 21.635 17.633 1.00 15.67 H new ATOM 0 HB2 ARG A 122 26.001 21.247 15.143 1.00 18.33 H new ATOM 0 HB3 ARG A 122 25.813 22.644 15.810 1.00 18.33 H new ATOM 0 HG2 ARG A 122 27.248 22.077 17.513 1.00 21.40 H new ATOM 0 HG3 ARG A 122 27.358 20.617 16.976 1.00 21.40 H new ATOM 0 HD2 ARG A 122 28.347 22.796 15.533 1.00 25.40 H new ATOM 0 HD3 ARG A 122 29.235 21.999 16.537 1.00 25.40 H new ATOM 0 HE ARG A 122 28.320 20.315 14.711 1.00 28.60 H new ATOM 0 HH11 ARG A 122 30.529 22.751 14.991 1.00 32.16 H new ATOM 0 HH12 ARG A 122 31.464 22.306 13.921 1.00 32.16 H new ATOM 0 HH21 ARG A 122 29.771 19.574 13.033 1.00 30.03 H new ATOM 0 HH22 ARG A 122 30.998 20.359 12.721 1.00 30.03 H new ATOM 968 N GLN A 123 23.120 20.500 15.084 1.00 14.49 N ATOM 969 CA GLN A 123 21.934 20.646 14.247 1.00 15.70 C ATOM 970 C GLN A 123 20.676 20.982 15.048 1.00 15.01 C ATOM 971 O GLN A 123 19.781 21.684 14.554 1.00 14.88 O ATOM 972 CB GLN A 123 21.630 19.375 13.404 1.00 19.69 C ATOM 973 CG GLN A 123 21.149 18.245 14.285 1.00 23.90 C ATOM 974 CD GLN A 123 20.349 17.083 13.822 1.00 26.52 C ATOM 975 OE1 GLN A 123 19.117 17.026 13.704 1.00 27.23 O ATOM 976 NE2 GLN A 123 21.063 15.983 13.580 1.00 27.70 N ATOM 0 H GLN A 123 23.550 19.771 14.928 1.00 14.49 H new ATOM 0 HA GLN A 123 22.152 21.385 13.658 1.00 15.70 H new ATOM 0 HB2 GLN A 123 20.956 19.579 12.736 1.00 19.69 H new ATOM 0 HB3 GLN A 123 22.429 19.100 12.927 1.00 19.69 H new ATOM 0 HG2 GLN A 123 21.944 17.873 14.698 1.00 23.90 H new ATOM 0 HG3 GLN A 123 20.630 18.661 14.991 1.00 23.90 H new ATOM 0 HE21 GLN A 123 21.919 16.001 13.656 1.00 27.70 H new ATOM 0 HE22 GLN A 123 20.667 15.256 13.348 1.00 27.70 H new ATOM 977 N TYR A 124 20.566 20.463 16.283 1.00 14.21 N ATOM 978 CA TYR A 124 19.372 20.696 17.061 1.00 13.57 C ATOM 979 C TYR A 124 19.169 22.164 17.443 1.00 14.09 C ATOM 980 O TYR A 124 17.964 22.473 17.582 1.00 16.15 O ATOM 981 CB TYR A 124 19.235 19.797 18.282 1.00 12.10 C ATOM 982 CG TYR A 124 19.226 18.335 17.837 1.00 14.14 C ATOM 983 CD1 TYR A 124 18.059 17.708 17.432 1.00 15.09 C ATOM 984 CD2 TYR A 124 20.407 17.596 17.844 1.00 14.87 C ATOM 985 CE1 TYR A 124 18.077 16.360 17.040 1.00 15.04 C ATOM 986 CE2 TYR A 124 20.430 16.233 17.444 1.00 14.04 C ATOM 987 CZ TYR A 124 19.256 15.643 17.052 1.00 14.50 C ATOM 988 OH TYR A 124 19.289 14.333 16.666 1.00 14.93 O ATOM 0 H TYR A 124 21.167 19.984 16.669 1.00 14.21 H new ATOM 0 HA TYR A 124 18.657 20.450 16.454 1.00 13.57 H new ATOM 0 HB2 TYR A 124 19.969 19.954 18.896 1.00 12.10 H new ATOM 0 HB3 TYR A 124 18.417 20.005 18.759 1.00 12.10 H new ATOM 0 HD1 TYR A 124 17.259 18.183 17.420 1.00 15.09 H new ATOM 0 HD2 TYR A 124 21.197 18.004 18.116 1.00 14.87 H new ATOM 0 HE1 TYR A 124 17.288 15.947 16.770 1.00 15.04 H new ATOM 0 HE2 TYR A 124 21.225 15.751 17.448 1.00 14.04 H new ATOM 0 HH TYR A 124 20.053 14.016 16.815 1.00 14.93 H new ATOM 989 N VAL A 125 20.207 22.948 17.552 1.00 12.92 N ATOM 990 CA VAL A 125 19.992 24.363 17.916 1.00 14.47 C ATOM 991 C VAL A 125 20.338 25.336 16.781 1.00 15.44 C ATOM 992 O VAL A 125 20.150 26.526 17.068 1.00 13.80 O ATOM 993 CB VAL A 125 20.844 24.726 19.167 1.00 14.21 C ATOM 994 CG1 VAL A 125 20.383 23.925 20.378 1.00 14.73 C ATOM 995 CG2 VAL A 125 22.332 24.511 18.878 1.00 13.76 C ATOM 0 H VAL A 125 21.025 22.713 17.429 1.00 12.92 H new ATOM 0 HA VAL A 125 19.045 24.457 18.104 1.00 14.47 H new ATOM 0 HB VAL A 125 20.717 25.665 19.373 1.00 14.21 H new ATOM 0 HG11 VAL A 125 20.923 24.162 21.148 1.00 14.73 H new ATOM 0 HG12 VAL A 125 19.452 24.124 20.563 1.00 14.73 H new ATOM 0 HG13 VAL A 125 20.480 22.977 20.195 1.00 14.73 H new ATOM 0 HG21 VAL A 125 22.851 24.741 19.665 1.00 13.76 H new ATOM 0 HG22 VAL A 125 22.486 23.581 18.649 1.00 13.76 H new ATOM 0 HG23 VAL A 125 22.603 25.075 18.137 1.00 13.76 H new ATOM 996 N GLN A 126 20.767 24.874 15.665 1.00 15.29 N ATOM 997 CA GLN A 126 21.187 25.714 14.546 1.00 18.51 C ATOM 998 C GLN A 126 20.129 26.664 14.093 1.00 17.87 C ATOM 999 O GLN A 126 19.004 26.225 13.823 1.00 18.88 O ATOM 1000 CB GLN A 126 21.693 24.860 13.393 1.00 24.07 C ATOM 1001 CG GLN A 126 20.799 24.658 12.192 1.00 31.00 C ATOM 1002 CD GLN A 126 21.326 23.532 11.317 1.00 36.81 C ATOM 1003 OE1 GLN A 126 20.609 22.568 10.954 1.00 40.06 O ATOM 1004 NE2 GLN A 126 22.632 23.634 11.015 1.00 38.23 N ATOM 0 H GLN A 126 20.835 24.032 15.504 1.00 15.29 H new ATOM 0 HA GLN A 126 21.917 26.264 14.871 1.00 18.51 H new ATOM 0 HB2 GLN A 126 22.523 25.252 13.079 1.00 24.07 H new ATOM 0 HB3 GLN A 126 21.910 23.984 13.749 1.00 24.07 H new ATOM 0 HG2 GLN A 126 19.897 24.452 12.485 1.00 31.00 H new ATOM 0 HG3 GLN A 126 20.750 25.479 11.677 1.00 31.00 H new ATOM 0 HE21 GLN A 126 23.084 24.314 11.286 1.00 38.23 H new ATOM 0 HE22 GLN A 126 23.015 23.020 10.551 1.00 38.23 H new ATOM 1005 N GLY A 127 20.467 27.966 14.034 1.00 17.71 N ATOM 1006 CA GLY A 127 19.542 28.998 13.566 1.00 15.54 C ATOM 1007 C GLY A 127 18.487 29.449 14.543 1.00 14.80 C ATOM 1008 O GLY A 127 17.658 30.341 14.212 1.00 14.24 O ATOM 0 H GLY A 127 21.239 28.267 14.265 1.00 17.71 H new ATOM 0 HA2 GLY A 127 20.061 29.773 13.301 1.00 15.54 H new ATOM 0 HA3 GLY A 127 19.097 28.668 12.770 1.00 15.54 H new ATOM 1009 N CYS A 128 18.495 28.881 15.749 1.00 13.26 N ATOM 1010 CA CYS A 128 17.481 29.213 16.727 1.00 12.80 C ATOM 1011 C CYS A 128 17.707 30.511 17.521 1.00 12.65 C ATOM 1012 O CYS A 128 16.731 30.870 18.211 1.00 12.00 O ATOM 1013 CB CYS A 128 17.207 28.050 17.706 1.00 11.89 C ATOM 1014 SG CYS A 128 16.757 26.521 16.845 1.00 11.21 S ATOM 0 H CYS A 128 19.078 28.306 16.012 1.00 13.26 H new ATOM 0 HA CYS A 128 16.700 29.374 16.174 1.00 12.80 H new ATOM 0 HB2 CYS A 128 17.996 27.894 18.248 1.00 11.89 H new ATOM 0 HB3 CYS A 128 16.492 28.301 18.311 1.00 11.89 H new ATOM 1015 N GLY A 129 18.875 31.091 17.481 1.00 13.41 N ATOM 1016 CA GLY A 129 19.052 32.342 18.271 1.00 15.20 C ATOM 1017 C GLY A 129 19.333 32.044 19.735 1.00 17.82 C ATOM 1018 O GLY A 129 19.100 32.937 20.587 1.00 18.99 O ATOM 0 H GLY A 129 19.560 30.819 17.038 1.00 13.41 H new ATOM 0 HA2 GLY A 129 19.783 32.860 17.899 1.00 15.20 H new ATOM 0 HA3 GLY A 129 18.253 32.887 18.199 1.00 15.20 H new ATOM 1019 N VAL A 130 19.800 30.832 20.035 1.00 17.79 N ATOM 1020 CA VAL A 130 20.131 30.496 21.445 1.00 19.69 C ATOM 1021 C VAL A 130 21.652 30.434 21.678 1.00 20.54 C ATOM 1022 O VAL A 130 22.412 30.368 20.694 1.00 22.06 O ATOM 1023 CB VAL A 130 19.407 29.231 21.909 1.00 19.42 C ATOM 1024 CG1 VAL A 130 17.902 29.422 21.830 1.00 17.32 C ATOM 1025 CG2 VAL A 130 19.893 28.013 21.138 1.00 19.01 C ATOM 1026 OXT VAL A 130 22.044 30.474 22.846 1.00 20.58 O ATOM 0 H VAL A 130 19.933 30.201 19.466 1.00 17.79 H new ATOM 0 HA VAL A 130 19.802 31.219 22.002 1.00 19.69 H new ATOM 0 HB VAL A 130 19.621 29.067 22.841 1.00 19.42 H new ATOM 0 HG11 VAL A 130 17.457 28.613 22.127 1.00 17.32 H new ATOM 0 HG12 VAL A 130 17.639 30.162 22.399 1.00 17.32 H new ATOM 0 HG13 VAL A 130 17.647 29.613 20.914 1.00 17.32 H new ATOM 0 HG21 VAL A 130 19.421 27.224 21.448 1.00 19.01 H new ATOM 0 HG22 VAL A 130 19.723 28.140 20.192 1.00 19.01 H new ATOM 0 HG23 VAL A 130 20.845 27.897 21.282 1.00 19.01 H new TER 1027 VAL A 130 HETATM 1028 O HOH A 131 4.397 17.674 13.328 1.00 48.62 O HETATM 1029 O HOH A 132 12.207 19.112 13.790 1.00 24.80 O HETATM 1030 O HOH A 133 17.556 14.241 14.268 1.00 31.34 O HETATM 1031 O HOH A 134 27.242 12.511 14.276 1.00 20.57 O HETATM 1032 O HOH A 135 10.428 21.186 14.442 1.00 19.68 O HETATM 1033 O HOH A 136 11.593 25.628 14.463 1.00 16.69 O HETATM 1034 O HOH A 137 14.579 18.302 14.972 1.00 15.41 O HETATM 1035 O HOH A 138 28.479 9.309 14.976 1.00 25.94 O HETATM 1036 O HOH A 139 8.959 17.555 14.979 1.00 28.77 O HETATM 1037 O HOH A 140 10.037 15.535 15.372 1.00 52.04 O HETATM 1038 O HOH A 141 10.779 29.806 15.455 1.00 19.10 O HETATM 1039 O HOH A 142 8.283 19.875 15.537 1.00 22.23 O HETATM 1040 O HOH A 143 10.232 26.912 15.847 1.00 19.94 O HETATM 1041 O HOH A 144 4.162 22.163 16.072 1.00 39.99 O HETATM 1042 O HOH A 145 21.638 13.002 17.018 1.00 19.60 O HETATM 1043 O HOH A 146 6.178 14.576 17.135 1.00 29.41 O HETATM 1044 O HOH A 147 21.033 29.149 17.981 1.00 24.39 O HETATM 1045 O HOH A 148 19.466 25.674 35.856 1.00 34.20 O HETATM 1046 O HOH A 149 9.031 31.271 19.104 1.00 27.73 O HETATM 1047 O HOH A 150 28.024 18.452 19.157 1.00 23.11 O HETATM 1048 O HOH A 151 5.150 11.964 20.009 1.00 24.46 O HETATM 1049 O HOH A 152 24.977 7.855 20.263 1.00 15.17 O HETATM 1050 O HOH A 153 14.787 6.665 20.443 1.00 32.15 O HETATM 1051 O HOH A 154 16.663 5.113 21.044 1.00 22.79 O HETATM 1052 O HOH A 155 4.909 9.432 21.612 1.00 29.26 O HETATM 1053 O HOH A 156 0.561 17.409 21.857 1.00 15.57 O HETATM 1054 O HOH A 157 -2.169 23.069 22.034 1.00 34.73 O HETATM 1055 O HOH A 158 26.464 20.952 22.229 1.00 29.45 O HETATM 1056 O HOH A 159 2.765 8.984 22.724 1.00 41.16 O HETATM 1057 O HOH A 160 24.096 23.789 22.932 1.00 11.89 O HETATM 1058 O HOH A 161 26.359 14.640 22.942 1.00 15.91 O HETATM 1059 O HOH A 162 26.552 5.694 23.112 1.00 24.52 O HETATM 1060 O HOH A 163 -1.660 20.415 23.312 1.00 37.05 O HETATM 1061 O HOH A 164 4.276 5.173 23.376 1.00 33.86 O HETATM 1062 O HOH A 165 10.852 6.941 23.762 1.00 38.68 O HETATM 1063 O HOH A 166 6.516 7.490 24.256 1.00 41.30 O HETATM 1064 O HOH A 167 15.521 32.206 24.999 1.00 21.93 O HETATM 1065 O HOH A 168 1.930 3.105 25.519 1.00 31.68 O HETATM 1066 O HOH A 169 4.085 26.000 26.208 1.00 25.70 O HETATM 1067 O HOH A 170 9.296 6.131 26.348 1.00 23.61 O HETATM 1068 O HOH A 171 5.382 -2.215 26.720 1.00 31.26 O HETATM 1069 O HOH A 172 -3.742 26.965 26.727 1.00 77.15 O HETATM 1070 O HOH A 173 0.065 19.089 26.808 1.00 25.35 O HETATM 1071 O HOH A 174 10.305 35.274 27.129 1.00 38.43 O HETATM 1072 O HOH A 175 15.501 6.467 27.178 1.00 14.94 O HETATM 1073 O HOH A 176 27.228 19.075 27.238 1.00 8.22 O HETATM 1074 O HOH A 177 17.147 33.333 27.268 1.00 42.73 O HETATM 1075 O HOH A 178 0.173 5.349 27.582 1.00 34.27 O HETATM 1076 O HOH A 179 27.869 6.355 29.006 1.00 42.70 O HETATM 1077 O HOH A 180 6.578 26.098 28.529 1.00 17.50 O HETATM 1078 O HOH A 181 10.452 29.587 28.873 1.00 23.34 O HETATM 1079 O HOH A 182 6.148 17.344 29.250 1.00 13.34 O HETATM 1080 O HOH A 183 -2.536 17.406 29.219 1.00 41.89 O HETATM 1081 O HOH A 184 12.529 7.603 29.353 1.00 25.86 O HETATM 1082 O HOH A 185 8.685 -2.714 29.530 1.00 38.32 O HETATM 1083 O HOH A 186 7.702 28.659 29.535 1.00 24.70 O HETATM 1084 O HOH A 187 11.442 3.207 29.975 1.00 57.55 O HETATM 1085 O HOH A 188 19.771 28.390 29.991 1.00 13.17 O HETATM 1086 O HOH A 189 16.143 5.202 30.079 1.00 26.01 O HETATM 1087 O HOH A 190 4.954 19.337 30.235 1.00 16.70 O HETATM 1088 O HOH A 191 8.579 14.993 30.575 1.00 8.52 O HETATM 1089 O HOH A 192 14.637 6.830 30.797 1.00 35.13 O HETATM 1090 O HOH A 193 25.714 4.981 30.895 1.00 43.73 O HETATM 1091 O HOH A 194 22.964 29.178 31.092 1.00 30.20 O HETATM 1092 O HOH A 195 -0.218 23.788 31.186 1.00 30.89 O HETATM 1093 O HOH A 196 -0.143 4.265 31.393 1.00 19.13 O HETATM 1094 O HOH A 197 23.336 27.830 14.600 1.00 30.03 O HETATM 1095 O HOH A 198 -1.563 17.977 31.601 1.00 43.80 O HETATM 1096 O HOH A 199 1.658 -4.848 32.313 1.00 25.61 O HETATM 1097 O HOH A 200 18.612 7.611 15.975 1.00 57.62 O HETATM 1098 O HOH A 201 5.205 20.468 32.730 1.00 11.08 O HETATM 1099 O HOH A 202 7.103 29.625 32.796 1.00 23.78 O HETATM 1100 O HOH A 203 -0.864 6.548 32.850 1.00 25.06 O HETATM 1101 O HOH A 204 15.676 8.683 32.943 1.00 22.94 O HETATM 1102 O HOH A 205 12.644 8.674 33.264 1.00 25.47 O HETATM 1103 O HOH A 206 23.444 26.770 33.152 1.00 33.55 O HETATM 1104 O HOH A 207 4.331 23.341 34.075 1.00 15.55 O HETATM 1105 O HOH A 208 25.046 16.153 34.823 1.00 14.05 O HETATM 1106 O HOH A 209 1.979 3.283 35.051 1.00 10.91 O HETATM 1107 O HOH A 210 5.338 28.583 35.086 1.00 35.78 O HETATM 1108 O HOH A 211 -1.974 18.608 35.300 1.00 19.97 O HETATM 1109 O HOH A 212 10.911 1.824 35.578 1.00 19.25 O HETATM 1110 O HOH A 213 10.913 25.126 35.696 1.00 27.60 O HETATM 1111 O HOH A 214 1.017 0.300 36.162 1.00 26.39 O HETATM 1112 O HOH A 215 27.359 23.895 36.396 1.00 38.90 O HETATM 1113 O HOH A 216 17.733 7.930 36.516 1.00 41.81 O HETATM 1114 O HOH A 217 13.645 24.800 36.886 1.00 23.53 O HETATM 1115 O HOH A 218 24.011 23.598 37.000 1.00 30.68 O HETATM 1116 O HOH A 219 17.896 26.235 37.463 1.00 31.58 O HETATM 1117 O HOH A 220 24.812 15.506 37.523 1.00 21.69 O HETATM 1118 O HOH A 221 7.625 24.610 38.207 1.00 39.99 O HETATM 1119 O HOH A 222 -0.938 -1.193 38.272 1.00 35.09 O HETATM 1120 O HOH A 223 14.051 23.630 39.014 1.00 52.98 O HETATM 1121 O HOH A 224 25.801 1.987 27.993 1.00 32.57 O HETATM 1122 O HOH A 225 22.459 7.349 39.341 1.00 54.71 O HETATM 1123 O HOH A 226 14.676 20.734 40.262 1.00 22.38 O HETATM 1124 O HOH A 227 3.810 6.254 40.354 1.00 13.45 O HETATM 1125 O HOH A 228 10.181 18.691 40.472 1.00 35.22 O HETATM 1126 O HOH A 229 16.767 6.516 40.726 1.00 57.67 O HETATM 1127 O HOH A 230 1.361 17.941 40.865 1.00 8.93 O HETATM 1128 O HOH A 231 19.155 23.015 40.968 1.00 42.41 O HETATM 1129 O HOH A 232 -1.047 -0.840 40.995 1.00 54.63 O HETATM 1130 O HOH A 233 6.694 7.342 41.232 1.00 25.18 O HETATM 1131 O HOH A 234 2.547 4.487 41.939 1.00 15.67 O HETATM 1132 O HOH A 235 3.018 20.597 42.031 1.00 38.20 O HETATM 1133 O HOH A 236 15.007 8.722 42.233 1.00 40.82 O HETATM 1134 O HOH A 237 10.906 0.371 42.596 1.00 51.78 O HETATM 1135 O HOH A 238 0.279 12.827 43.089 1.00 5.00 O HETATM 1136 O HOH A 239 4.718 7.288 43.337 1.00 43.68 O HETATM 1137 O HOH A 240 24.954 25.327 24.431 1.00 29.52 O HETATM 1138 O HOH A 241 7.382 19.186 43.695 1.00 52.23 O HETATM 1139 O HOH A 242 11.280 3.160 43.437 1.00 45.72 O HETATM 1140 O HOH A 243 0.874 1.476 43.526 1.00 38.00 O HETATM 1141 O HOH A 244 0.352 17.440 43.982 1.00 22.58 O HETATM 1142 O HOH A 245 3.058 14.283 44.153 1.00 26.05 O HETATM 1143 O HOH A 246 2.409 5.763 44.347 1.00 41.32 O HETATM 1144 O HOH A 247 14.311 17.158 44.359 1.00 32.49 O HETATM 1145 O HOH A 248 -0.928 4.331 44.781 1.00 40.28 O HETATM 1146 O HOH A 249 2.664 16.630 44.786 1.00 28.98 O HETATM 1147 O HOH A 250 4.394 3.060 45.018 1.00 48.86 O HETATM 1148 O HOH A 251 22.971 25.936 21.989 1.00 50.79 O HETATM 1149 O HOH A 252 4.853 8.070 45.826 1.00 35.83 O HETATM 1150 O HOH A 253 3.659 10.425 46.134 1.00 51.64 O HETATM 1151 O HOH A 254 12.842 14.329 46.245 1.00 28.19 O HETATM 1152 O HOH A 255 9.685 0.501 46.505 1.00 37.60 O HETATM 1153 O HOH A 256 1.667 7.850 46.624 1.00 40.55 O HETATM 1154 O HOH A 257 13.712 11.105 46.743 1.00 34.79 O HETATM 1155 O HOH A 258 7.168 2.651 47.536 1.00 45.74 O CONECT 53 1014 CONECT 243 913 CONECT 534 642 CONECT 612 738 CONECT 642 534 CONECT 738 612 CONECT 913 243 CONECT 1014 53 END