USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE(O-GLYCOSYL) 27-MAR-92 1LHK 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 1LHK 1 VERSN REVDAT 1 31-JAN-94 1LHK 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 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 : 10105 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) : 0.153 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 : 1028 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 115 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) : 0.016 ; 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 1LHK 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 (%): 38.24 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 28.34000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.93000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.52000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.93000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.34000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.52000 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 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 162 O HOH A 218 2554 2.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 14 CD - NE - CZ ANGL. DEV. = 56.2 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = 3.2 DEGREES REMARK 500 ARG A 50 CD - NE - CZ ANGL. DEV. = 20.3 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 5.1 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 6.8 DEGREES REMARK 500 ASP A 87 CB - CG - OD2 ANGL. DEV. = -6.8 DEGREES REMARK 500 ARG A 98 NE - CZ - NH1 ANGL. DEV. = -4.8 DEGREES REMARK 500 ARG A 98 NE - CZ - NH2 ANGL. DEV. = 7.1 DEGREES REMARK 500 ARG A 101 NE - CZ - NH1 ANGL. DEV. = 7.0 DEGREES REMARK 500 ARG A 101 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES REMARK 500 ARG A 113 NE - CZ - NH2 ANGL. DEV. = -4.9 DEGREES REMARK 500 ARG A 115 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES REMARK 500 ASP A 120 CB - CG - OD2 ANGL. DEV. = -6.9 DEGREES 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 132 DISTANCE = 6.13 ANGSTROMS REMARK 650 REMARK 650 HELIX REMARK 650 PRO91 CONTRIBUTES TO THIS HELIX DBREF 1LHK A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 1LHK PRO A 91 UNP P61626 ASP 109 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 PRO SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO 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 *115(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 1SEE REMARK 5 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 2.02 SSBOND *** CYS A 30 CYS A 116 1555 1555 2.05 SSBOND *** CYS A 65 CYS A 81 1555 1555 2.01 SSBOND *** CYS A 77 CYS A 95 1555 1555 1.98 CRYST1 56.680 61.040 33.860 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 0.017643 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016383 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029533 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 127:sc= 1.5 USER MOD Set 1.2: A 70 THR OG1 : rot 82:sc= 2.51 USER MOD Set 2.1: A 44 ASN : amide:sc= 0.211 X(o=4.3,f=3.9) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.52 K(o=4.3,f=3.6) USER MOD Set 2.3: A 51 SER OG : rot -68:sc= 1.54 USER MOD Set 2.4: A 60 ASN : amide:sc= 3.04 K(o=4.3,f=-1.9!) USER MOD Set 3.1: A 24 SER OG : rot 160:sc= 0.487 USER MOD Set 3.2: A 27 ASN : amide:sc= 1.59 K(o=2.1,f=-1.3!) USER MOD Set 4.1: A 1 LYS N :NH3+ 173:sc= 2.62 (180deg=1.49) USER MOD Set 4.2: A 40 THR OG1 : rot 97:sc= 1.66 USER MOD Single : A 1 LYS NZ :NH3+ -166:sc= 0.816 (180deg=0.717) USER MOD Single : A 11 THR OG1 : rot 76:sc= 0.817 USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.0947 (180deg=-0.562) USER MOD Single : A 17 MET CE :methyl 165:sc= -0.272 (180deg=-0.885) USER MOD Single : A 20 TYR OH : rot 30:sc= 0.448 USER MOD Single : A 29 MET CE :methyl -168:sc= -0.248 (180deg=-0.552) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.873) USER MOD Single : A 36 SER OG : rot -104:sc= 1.05 USER MOD Single : A 38 TYR OH : rot 180:sc= 0.873 USER MOD Single : A 39 ASN : amide:sc= 1.43 K(o=1.4,f=-2.5) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0.871 USER MOD Single : A 52 THR OG1 : rot 86:sc= 1.92 USER MOD Single : A 54 TYR OH : rot -172:sc= 2.39 USER MOD Single : A 58 GLN : amide:sc= 2.09 K(o=2.1,f=0.54) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 2.05 K(o=2,f=-1.3) USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= 0.237 (180deg=0.0762) USER MOD Single : A 75 ASN : amide:sc= -0.155 K(o=-0.16,f=-5.8!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0042 X(o=-0.0042,f=0.0025) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 82 SER OG : rot -87:sc= 0.142 USER MOD Single : A 86 GLN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.116 K(o=0.12,f=-1.5) USER MOD Single : A 97 LYS NZ :NH3+ -161:sc= 2.24 (180deg=1.94) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 117 GLN :FLIP amide:sc= -0.0359 F(o=-2.3!,f=-0.036) USER MOD Single : A 118 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.21) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 TYR OH : rot 30:sc= 1.46 USER MOD Single : A 126 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.918 19.568 23.086 1.00 10.80 N ATOM 2 CA LYS A 1 1.448 20.429 22.004 1.00 12.63 C ATOM 3 C LYS A 1 2.682 19.801 21.362 1.00 12.13 C ATOM 4 O LYS A 1 3.480 19.126 22.064 1.00 12.50 O ATOM 5 CB LYS A 1 1.742 21.795 22.621 1.00 13.01 C ATOM 6 CG LYS A 1 3.017 22.496 22.296 1.00 16.75 C ATOM 7 CD LYS A 1 3.043 23.931 22.844 1.00 18.38 C ATOM 8 CE LYS A 1 3.839 24.846 21.906 1.00 21.34 C ATOM 9 NZ LYS A 1 4.425 25.920 22.755 1.00 26.06 N ATOM 0 H1 LYS A 1 0.265 19.996 23.513 1.00 10.80 H new ATOM 0 H2 LYS A 1 0.600 18.814 22.737 1.00 10.80 H new ATOM 0 H3 LYS A 1 1.571 19.376 23.660 1.00 10.80 H new ATOM 0 HA LYS A 1 0.802 20.528 21.287 1.00 12.63 H new ATOM 0 HB2 LYS A 1 1.015 22.387 22.373 1.00 13.01 H new ATOM 0 HB3 LYS A 1 1.707 21.691 23.585 1.00 13.01 H new ATOM 0 HG2 LYS A 1 3.762 21.997 22.665 1.00 16.75 H new ATOM 0 HG3 LYS A 1 3.137 22.516 21.334 1.00 16.75 H new ATOM 0 HD2 LYS A 1 2.137 24.264 22.938 1.00 18.38 H new ATOM 0 HD3 LYS A 1 3.442 23.939 23.728 1.00 18.38 H new ATOM 0 HE2 LYS A 1 4.536 24.349 21.449 1.00 21.34 H new ATOM 0 HE3 LYS A 1 3.264 25.223 21.222 1.00 21.34 H new ATOM 0 HZ1 LYS A 1 4.722 26.580 22.237 1.00 26.06 H new ATOM 0 HZ2 LYS A 1 3.802 26.235 23.308 1.00 26.06 H new ATOM 0 HZ3 LYS A 1 5.102 25.588 23.229 1.00 26.06 H new ATOM 10 N VAL A 2 2.843 20.051 20.078 1.00 10.18 N ATOM 11 CA VAL A 2 4.013 19.569 19.336 1.00 11.46 C ATOM 12 C VAL A 2 4.864 20.822 19.032 1.00 11.64 C ATOM 13 O VAL A 2 4.425 21.612 18.186 1.00 11.15 O ATOM 14 CB VAL A 2 3.685 18.789 18.042 1.00 11.99 C ATOM 15 CG1 VAL A 2 4.905 18.412 17.222 1.00 12.65 C ATOM 16 CG2 VAL A 2 2.877 17.539 18.371 1.00 10.46 C ATOM 0 H VAL A 2 2.285 20.502 19.604 1.00 10.18 H new ATOM 0 HA VAL A 2 4.484 18.917 19.878 1.00 11.46 H new ATOM 0 HB VAL A 2 3.163 19.394 17.492 1.00 11.99 H new ATOM 0 HG11 VAL A 2 4.625 17.928 16.429 1.00 12.65 H new ATOM 0 HG12 VAL A 2 5.379 19.216 16.959 1.00 12.65 H new ATOM 0 HG13 VAL A 2 5.491 17.851 17.753 1.00 12.65 H new ATOM 0 HG21 VAL A 2 2.677 17.058 17.553 1.00 10.46 H new ATOM 0 HG22 VAL A 2 3.391 16.968 18.964 1.00 10.46 H new ATOM 0 HG23 VAL A 2 2.048 17.794 18.806 1.00 10.46 H new ATOM 17 N PHE A 3 5.986 20.904 19.719 1.00 10.99 N ATOM 18 CA PHE A 3 6.850 22.094 19.467 1.00 12.02 C ATOM 19 C PHE A 3 7.584 22.008 18.129 1.00 11.75 C ATOM 20 O PHE A 3 7.846 20.895 17.676 1.00 10.79 O ATOM 21 CB PHE A 3 7.924 22.172 20.574 1.00 12.33 C ATOM 22 CG PHE A 3 7.525 22.810 21.854 1.00 12.05 C ATOM 23 CD1 PHE A 3 7.835 24.166 22.072 1.00 12.04 C ATOM 24 CD2 PHE A 3 6.867 22.101 22.853 1.00 13.20 C ATOM 25 CE1 PHE A 3 7.500 24.753 23.277 1.00 12.35 C ATOM 26 CE2 PHE A 3 6.477 22.717 24.051 1.00 14.41 C ATOM 27 CZ PHE A 3 6.808 24.067 24.278 1.00 12.74 C ATOM 0 H PHE A 3 6.270 20.337 20.300 1.00 10.99 H new ATOM 0 HA PHE A 3 6.272 22.873 19.457 1.00 12.02 H new ATOM 0 HB2 PHE A 3 8.224 21.270 20.767 1.00 12.33 H new ATOM 0 HB3 PHE A 3 8.687 22.656 20.221 1.00 12.33 H new ATOM 0 HD1 PHE A 3 8.261 24.662 21.411 1.00 12.04 H new ATOM 0 HD2 PHE A 3 6.682 21.199 22.724 1.00 13.20 H new ATOM 0 HE1 PHE A 3 7.744 25.638 23.427 1.00 12.35 H new ATOM 0 HE2 PHE A 3 6.003 22.237 24.691 1.00 14.41 H new ATOM 0 HZ PHE A 3 6.572 24.490 25.072 1.00 12.74 H new ATOM 28 N GLU A 4 7.912 23.190 17.585 1.00 11.56 N ATOM 29 CA GLU A 4 8.762 23.232 16.401 1.00 12.68 C ATOM 30 C GLU A 4 10.158 23.280 17.028 1.00 11.28 C ATOM 31 O GLU A 4 10.236 23.795 18.178 1.00 11.31 O ATOM 32 CB GLU A 4 8.656 24.462 15.527 1.00 17.70 C ATOM 33 CG GLU A 4 7.283 25.060 15.334 1.00 26.22 C ATOM 34 CD GLU A 4 6.713 24.715 13.995 1.00 31.06 C ATOM 35 OE1 GLU A 4 6.476 25.548 13.136 1.00 34.45 O ATOM 36 OE2 GLU A 4 6.587 23.474 13.947 1.00 34.04 O ATOM 0 H GLU A 4 7.657 23.956 17.882 1.00 11.56 H new ATOM 0 HA GLU A 4 8.528 22.493 15.818 1.00 12.68 H new ATOM 0 HB2 GLU A 4 9.231 25.147 15.902 1.00 17.70 H new ATOM 0 HB3 GLU A 4 9.012 24.240 14.652 1.00 17.70 H new ATOM 0 HG2 GLU A 4 6.689 24.740 16.031 1.00 26.22 H new ATOM 0 HG3 GLU A 4 7.334 26.024 15.426 1.00 26.22 H new ATOM 37 N ARG A 5 11.165 22.821 16.338 1.00 9.90 N ATOM 38 CA ARG A 5 12.522 22.780 16.851 1.00 9.27 C ATOM 39 C ARG A 5 13.047 24.071 17.470 1.00 9.37 C ATOM 40 O ARG A 5 13.439 24.065 18.663 1.00 8.05 O ATOM 41 CB ARG A 5 13.506 22.298 15.777 1.00 11.52 C ATOM 42 CG ARG A 5 14.929 22.081 16.241 1.00 10.71 C ATOM 43 CD ARG A 5 15.796 21.508 15.146 1.00 13.57 C ATOM 44 NE ARG A 5 15.824 22.387 13.980 1.00 14.80 N ATOM 45 CZ ARG A 5 16.745 23.342 13.762 1.00 15.89 C ATOM 46 NH1 ARG A 5 16.708 24.081 12.642 1.00 17.11 N ATOM 47 NH2 ARG A 5 17.715 23.580 14.645 1.00 14.53 N ATOM 0 H ARG A 5 11.088 22.515 15.538 1.00 9.90 H new ATOM 0 HA ARG A 5 12.465 22.146 17.583 1.00 9.27 H new ATOM 0 HB2 ARG A 5 13.173 21.465 15.407 1.00 11.52 H new ATOM 0 HB3 ARG A 5 13.514 22.946 15.055 1.00 11.52 H new ATOM 0 HG2 ARG A 5 15.303 22.924 16.542 1.00 10.71 H new ATOM 0 HG3 ARG A 5 14.933 21.481 17.003 1.00 10.71 H new ATOM 0 HD2 ARG A 5 16.698 21.379 15.478 1.00 13.57 H new ATOM 0 HD3 ARG A 5 15.461 20.635 14.888 1.00 13.57 H new ATOM 0 HE ARG A 5 15.206 22.286 13.390 1.00 14.80 H new ATOM 0 HH11 ARG A 5 16.092 23.945 12.057 1.00 17.11 H new ATOM 0 HH12 ARG A 5 17.300 24.690 12.509 1.00 17.11 H new ATOM 0 HH21 ARG A 5 17.760 23.119 15.370 1.00 14.53 H new ATOM 0 HH22 ARG A 5 18.296 24.195 14.490 1.00 14.53 H new ATOM 48 N CYS A 6 13.102 25.170 16.700 1.00 9.03 N ATOM 49 CA CYS A 6 13.649 26.423 17.275 1.00 9.70 C ATOM 50 C CYS A 6 12.802 27.017 18.391 1.00 10.64 C ATOM 51 O CYS A 6 13.382 27.606 19.365 1.00 11.27 O ATOM 52 CB CYS A 6 14.113 27.365 16.176 1.00 10.68 C ATOM 53 SG CYS A 6 15.460 26.652 15.151 1.00 11.90 S ATOM 0 H CYS A 6 12.843 25.217 15.881 1.00 9.03 H new ATOM 0 HA CYS A 6 14.457 26.208 17.767 1.00 9.70 H new ATOM 0 HB2 CYS A 6 13.360 27.586 15.606 1.00 10.68 H new ATOM 0 HB3 CYS A 6 14.420 28.194 16.575 1.00 10.68 H new ATOM 54 N GLU A 7 11.502 26.871 18.306 1.00 9.74 N ATOM 55 CA GLU A 7 10.613 27.329 19.379 1.00 10.91 C ATOM 56 C GLU A 7 10.986 26.628 20.679 1.00 10.13 C ATOM 57 O GLU A 7 11.125 27.268 21.755 1.00 9.54 O ATOM 58 CB GLU A 7 9.163 27.057 19.054 1.00 14.03 C ATOM 59 CG GLU A 7 8.045 27.377 20.023 1.00 19.43 C ATOM 60 CD GLU A 7 6.711 26.725 19.728 1.00 21.46 C ATOM 61 OE1 GLU A 7 6.506 25.836 18.897 1.00 21.58 O ATOM 62 OE2 GLU A 7 5.847 27.196 20.510 1.00 22.69 O ATOM 0 H GLU A 7 11.100 26.509 17.638 1.00 9.74 H new ATOM 0 HA GLU A 7 10.723 28.288 19.473 1.00 10.91 H new ATOM 0 HB2 GLU A 7 8.967 27.536 18.234 1.00 14.03 H new ATOM 0 HB3 GLU A 7 9.095 26.111 18.853 1.00 14.03 H new ATOM 0 HG2 GLU A 7 8.326 27.112 20.913 1.00 19.43 H new ATOM 0 HG3 GLU A 7 7.919 28.339 20.039 1.00 19.43 H new ATOM 63 N LEU A 8 11.240 25.294 20.580 1.00 9.50 N ATOM 64 CA LEU A 8 11.606 24.605 21.866 1.00 8.33 C ATOM 65 C LEU A 8 12.972 25.050 22.390 1.00 7.07 C ATOM 66 O LEU A 8 13.139 25.145 23.604 1.00 7.37 O ATOM 67 CB LEU A 8 11.522 23.088 21.635 1.00 8.63 C ATOM 68 CG LEU A 8 11.943 22.217 22.820 1.00 7.86 C ATOM 69 CD1 LEU A 8 10.967 22.360 23.982 1.00 7.49 C ATOM 70 CD2 LEU A 8 11.965 20.755 22.327 1.00 9.78 C ATOM 0 H LEU A 8 11.213 24.812 19.868 1.00 9.50 H new ATOM 0 HA LEU A 8 10.980 24.855 22.563 1.00 8.33 H new ATOM 0 HB2 LEU A 8 10.609 22.863 21.397 1.00 8.63 H new ATOM 0 HB3 LEU A 8 12.078 22.861 20.873 1.00 8.63 H new ATOM 0 HG LEU A 8 12.816 22.492 23.141 1.00 7.86 H new ATOM 0 HD11 LEU A 8 11.256 21.799 24.719 1.00 7.49 H new ATOM 0 HD12 LEU A 8 10.942 23.285 24.272 1.00 7.49 H new ATOM 0 HD13 LEU A 8 10.081 22.087 23.696 1.00 7.49 H new ATOM 0 HD21 LEU A 8 12.229 20.172 23.056 1.00 9.78 H new ATOM 0 HD22 LEU A 8 11.081 20.505 22.017 1.00 9.78 H new ATOM 0 HD23 LEU A 8 12.599 20.669 21.598 1.00 9.78 H new ATOM 71 N ALA A 9 13.903 25.222 21.466 1.00 7.64 N ATOM 72 CA ALA A 9 15.276 25.564 21.864 1.00 8.55 C ATOM 73 C ALA A 9 15.266 26.896 22.642 1.00 8.77 C ATOM 74 O ALA A 9 15.929 27.011 23.675 1.00 8.32 O ATOM 75 CB ALA A 9 16.140 25.607 20.615 1.00 7.78 C ATOM 0 H ALA A 9 13.774 25.149 20.619 1.00 7.64 H new ATOM 0 HA ALA A 9 15.652 24.897 22.459 1.00 8.55 H new ATOM 0 HB1 ALA A 9 17.051 25.832 20.859 1.00 7.78 H new ATOM 0 HB2 ALA A 9 16.126 24.739 20.182 1.00 7.78 H new ATOM 0 HB3 ALA A 9 15.794 26.278 20.005 1.00 7.78 H new ATOM 76 N ARG A 10 14.472 27.825 22.119 1.00 9.14 N ATOM 77 CA ARG A 10 14.386 29.178 22.779 1.00 8.99 C ATOM 78 C ARG A 10 13.711 29.050 24.122 1.00 8.64 C ATOM 79 O ARG A 10 14.221 29.710 25.058 1.00 8.53 O ATOM 80 CB ARG A 10 13.695 30.181 21.846 1.00 8.75 C ATOM 81 CG ARG A 10 14.636 30.512 20.665 1.00 9.48 C ATOM 82 CD ARG A 10 14.043 31.616 19.859 1.00 11.45 C ATOM 83 NE ARG A 10 12.825 31.280 19.155 1.00 12.56 N ATOM 84 CZ ARG A 10 12.803 30.894 17.863 1.00 10.56 C ATOM 85 NH1 ARG A 10 11.651 30.646 17.270 1.00 11.95 N ATOM 86 NH2 ARG A 10 13.910 30.759 17.165 1.00 10.82 N ATOM 0 H ARG A 10 13.987 27.724 21.416 1.00 9.14 H new ATOM 0 HA ARG A 10 15.276 29.526 22.944 1.00 8.99 H new ATOM 0 HB2 ARG A 10 12.862 29.810 21.515 1.00 8.75 H new ATOM 0 HB3 ARG A 10 13.472 30.990 22.332 1.00 8.75 H new ATOM 0 HG2 ARG A 10 15.509 30.773 20.997 1.00 9.48 H new ATOM 0 HG3 ARG A 10 14.766 29.726 20.111 1.00 9.48 H new ATOM 0 HD2 ARG A 10 13.863 32.366 20.447 1.00 11.45 H new ATOM 0 HD3 ARG A 10 14.701 31.915 19.212 1.00 11.45 H new ATOM 0 HE ARG A 10 12.079 31.329 19.581 1.00 12.56 H new ATOM 0 HH11 ARG A 10 10.915 30.731 17.707 1.00 11.95 H new ATOM 0 HH12 ARG A 10 11.636 30.400 16.446 1.00 11.95 H new ATOM 0 HH21 ARG A 10 14.672 30.918 17.532 1.00 10.82 H new ATOM 0 HH22 ARG A 10 13.872 30.512 16.342 1.00 10.82 H new ATOM 87 N THR A 11 12.690 28.192 24.177 1.00 8.22 N ATOM 88 CA THR A 11 11.960 27.960 25.439 1.00 8.83 C ATOM 89 C THR A 11 12.839 27.366 26.535 1.00 9.18 C ATOM 90 O THR A 11 12.839 27.832 27.697 1.00 8.53 O ATOM 91 CB THR A 11 10.641 27.120 25.247 1.00 9.84 C ATOM 92 OG1 THR A 11 9.876 27.809 24.208 1.00 13.18 O ATOM 93 CG2 THR A 11 9.832 26.970 26.539 1.00 9.70 C ATOM 0 H THR A 11 12.403 27.737 23.506 1.00 8.22 H new ATOM 0 HA THR A 11 11.691 28.843 25.737 1.00 8.83 H new ATOM 0 HB THR A 11 10.856 26.209 24.991 1.00 9.84 H new ATOM 0 HG1 THR A 11 10.220 27.655 23.458 1.00 13.18 H new ATOM 0 HG21 THR A 11 9.035 26.447 26.363 1.00 9.70 H new ATOM 0 HG22 THR A 11 10.371 26.521 27.209 1.00 9.70 H new ATOM 0 HG23 THR A 11 9.577 27.847 26.865 1.00 9.70 H new ATOM 94 N LEU A 12 13.582 26.316 26.152 1.00 8.37 N ATOM 95 CA LEU A 12 14.509 25.668 27.098 1.00 8.58 C ATOM 96 C LEU A 12 15.588 26.647 27.540 1.00 9.68 C ATOM 97 O LEU A 12 15.942 26.628 28.727 1.00 9.82 O ATOM 98 CB LEU A 12 15.057 24.425 26.409 1.00 8.93 C ATOM 99 CG LEU A 12 14.083 23.269 26.178 1.00 10.90 C ATOM 100 CD1 LEU A 12 14.862 22.031 25.627 1.00 11.07 C ATOM 101 CD2 LEU A 12 13.362 22.872 27.459 1.00 11.14 C ATOM 0 H LEU A 12 13.566 25.969 25.365 1.00 8.37 H new ATOM 0 HA LEU A 12 14.062 25.397 27.915 1.00 8.58 H new ATOM 0 HB2 LEU A 12 15.417 24.692 25.549 1.00 8.93 H new ATOM 0 HB3 LEU A 12 15.800 24.092 26.936 1.00 8.93 H new ATOM 0 HG LEU A 12 13.419 23.567 25.536 1.00 10.90 H new ATOM 0 HD11 LEU A 12 14.244 21.298 25.481 1.00 11.07 H new ATOM 0 HD12 LEU A 12 15.290 22.265 24.788 1.00 11.07 H new ATOM 0 HD13 LEU A 12 15.537 21.761 26.269 1.00 11.07 H new ATOM 0 HD21 LEU A 12 12.755 22.138 27.275 1.00 11.14 H new ATOM 0 HD22 LEU A 12 14.012 22.594 28.123 1.00 11.14 H new ATOM 0 HD23 LEU A 12 12.860 23.630 27.796 1.00 11.14 H new ATOM 102 N LYS A 13 16.098 27.466 26.614 1.00 9.95 N ATOM 103 CA LYS A 13 17.159 28.422 27.022 1.00 10.92 C ATOM 104 C LYS A 13 16.646 29.355 28.118 1.00 10.65 C ATOM 105 O LYS A 13 17.338 29.578 29.135 1.00 9.93 O ATOM 106 CB LYS A 13 17.660 29.281 25.841 1.00 13.52 C ATOM 107 CG LYS A 13 18.940 30.061 26.259 1.00 15.55 C ATOM 108 CD LYS A 13 19.648 30.567 25.031 1.00 20.19 C ATOM 109 CE LYS A 13 20.801 31.519 25.335 1.00 22.49 C ATOM 110 NZ LYS A 13 21.484 31.048 26.570 1.00 24.12 N ATOM 0 H LYS A 13 15.865 27.493 25.786 1.00 9.95 H new ATOM 0 HA LYS A 13 17.899 27.888 27.351 1.00 10.92 H new ATOM 0 HB2 LYS A 13 17.852 28.715 25.077 1.00 13.52 H new ATOM 0 HB3 LYS A 13 16.968 29.903 25.566 1.00 13.52 H new ATOM 0 HG2 LYS A 13 18.703 30.804 26.836 1.00 15.55 H new ATOM 0 HG3 LYS A 13 19.530 29.483 26.768 1.00 15.55 H new ATOM 0 HD2 LYS A 13 19.988 29.810 24.529 1.00 20.19 H new ATOM 0 HD3 LYS A 13 19.007 31.020 24.462 1.00 20.19 H new ATOM 0 HE2 LYS A 13 21.424 31.542 24.592 1.00 22.49 H new ATOM 0 HE3 LYS A 13 20.470 32.423 25.456 1.00 22.49 H new ATOM 0 HZ1 LYS A 13 22.281 31.438 26.636 1.00 24.12 H new ATOM 0 HZ2 LYS A 13 20.991 31.259 27.281 1.00 24.12 H new ATOM 0 HZ3 LYS A 13 21.589 30.165 26.533 1.00 24.12 H new ATOM 111 N ARG A 14 15.463 29.899 27.899 1.00 10.79 N ATOM 112 CA ARG A 14 14.818 30.807 28.847 1.00 12.12 C ATOM 113 C ARG A 14 14.616 30.162 30.208 1.00 11.93 C ATOM 114 O ARG A 14 14.690 30.826 31.253 1.00 10.26 O ATOM 115 CB ARG A 14 13.456 31.259 28.313 1.00 17.61 C ATOM 116 CG ARG A 14 13.221 32.549 27.587 1.00 24.03 C ATOM 117 CD ARG A 14 12.775 32.349 26.153 1.00 29.67 C ATOM 118 NE ARG A 14 11.432 32.058 25.967 1.00 31.73 N ATOM 119 CZ ARG A 14 10.196 31.785 25.798 1.00 33.67 C ATOM 120 NH1 ARG A 14 9.429 32.697 25.144 1.00 36.05 N ATOM 121 NH2 ARG A 14 9.558 30.712 26.274 1.00 31.45 N ATOM 0 H ARG A 14 15.001 29.754 27.188 1.00 10.79 H new ATOM 0 HA ARG A 14 15.409 31.569 28.950 1.00 12.12 H new ATOM 0 HB2 ARG A 14 13.152 30.555 27.718 1.00 17.61 H new ATOM 0 HB3 ARG A 14 12.856 31.265 29.075 1.00 17.61 H new ATOM 0 HG2 ARG A 14 12.549 33.063 28.061 1.00 24.03 H new ATOM 0 HG3 ARG A 14 14.037 33.073 27.596 1.00 24.03 H new ATOM 0 HD2 ARG A 14 12.985 33.153 25.653 1.00 29.67 H new ATOM 0 HD3 ARG A 14 13.300 31.630 25.768 1.00 29.67 H new ATOM 0 HE ARG A 14 11.311 32.833 25.613 1.00 31.73 H new ATOM 0 HH11 ARG A 14 9.780 33.429 24.860 1.00 36.05 H new ATOM 0 HH12 ARG A 14 8.593 32.542 25.015 1.00 36.05 H new ATOM 0 HH21 ARG A 14 9.985 30.130 26.741 1.00 31.45 H new ATOM 0 HH22 ARG A 14 8.720 30.603 26.113 1.00 31.45 H new ATOM 122 N LEU A 15 14.353 28.850 30.198 1.00 11.05 N ATOM 123 CA LEU A 15 14.108 28.069 31.428 1.00 10.68 C ATOM 124 C LEU A 15 15.382 27.614 32.108 1.00 10.53 C ATOM 125 O LEU A 15 15.317 26.850 33.098 1.00 10.91 O ATOM 126 CB LEU A 15 13.085 26.958 31.129 1.00 11.45 C ATOM 127 CG LEU A 15 11.684 27.371 30.738 1.00 11.92 C ATOM 128 CD1 LEU A 15 10.866 26.177 30.221 1.00 13.60 C ATOM 129 CD2 LEU A 15 10.959 27.920 31.960 1.00 13.98 C ATOM 0 H LEU A 15 14.311 28.383 29.477 1.00 11.05 H new ATOM 0 HA LEU A 15 13.709 28.643 32.100 1.00 10.68 H new ATOM 0 HB2 LEU A 15 13.443 26.408 30.415 1.00 11.45 H new ATOM 0 HB3 LEU A 15 13.020 26.394 31.916 1.00 11.45 H new ATOM 0 HG LEU A 15 11.763 28.038 30.038 1.00 11.92 H new ATOM 0 HD11 LEU A 15 9.975 26.475 29.980 1.00 13.60 H new ATOM 0 HD12 LEU A 15 11.302 25.799 29.442 1.00 13.60 H new ATOM 0 HD13 LEU A 15 10.804 25.502 30.915 1.00 13.60 H new ATOM 0 HD21 LEU A 15 10.060 28.186 31.711 1.00 13.98 H new ATOM 0 HD22 LEU A 15 10.915 27.235 32.645 1.00 13.98 H new ATOM 0 HD23 LEU A 15 11.440 28.690 32.303 1.00 13.98 H new ATOM 130 N GLY A 16 16.529 28.048 31.593 1.00 8.62 N ATOM 131 CA GLY A 16 17.822 27.799 32.168 1.00 9.45 C ATOM 132 C GLY A 16 18.407 26.405 32.002 1.00 9.45 C ATOM 133 O GLY A 16 19.127 25.992 32.927 1.00 9.35 O ATOM 0 H GLY A 16 16.565 28.513 30.870 1.00 8.62 H new ATOM 0 HA2 GLY A 16 18.447 28.434 31.785 1.00 9.45 H new ATOM 0 HA3 GLY A 16 17.769 27.991 33.117 1.00 9.45 H new ATOM 134 N MET A 17 18.151 25.783 30.886 1.00 9.09 N ATOM 135 CA MET A 17 18.655 24.387 30.674 1.00 10.15 C ATOM 136 C MET A 17 20.032 24.356 30.056 1.00 10.39 C ATOM 137 O MET A 17 20.732 23.316 30.113 1.00 11.18 O ATOM 138 CB MET A 17 17.650 23.670 29.756 1.00 10.29 C ATOM 139 CG MET A 17 16.348 23.481 30.474 1.00 14.30 C ATOM 140 SD MET A 17 16.580 22.123 31.684 1.00 18.29 S ATOM 141 CE MET A 17 16.035 20.782 30.569 1.00 18.48 C ATOM 0 H MET A 17 17.701 26.113 30.232 1.00 9.09 H new ATOM 0 HA MET A 17 18.732 23.945 31.534 1.00 10.15 H new ATOM 0 HB2 MET A 17 17.511 24.189 28.948 1.00 10.29 H new ATOM 0 HB3 MET A 17 18.006 22.810 29.483 1.00 10.29 H new ATOM 0 HG2 MET A 17 16.085 24.299 30.925 1.00 14.30 H new ATOM 0 HG3 MET A 17 15.641 23.263 29.847 1.00 14.30 H new ATOM 0 HE1 MET A 17 16.301 19.925 30.939 1.00 18.48 H new ATOM 0 HE2 MET A 17 15.070 20.809 30.478 1.00 18.48 H new ATOM 0 HE3 MET A 17 16.445 20.899 29.698 1.00 18.48 H new ATOM 142 N ASP A 18 20.436 25.445 29.431 1.00 10.83 N ATOM 143 CA ASP A 18 21.765 25.435 28.778 1.00 11.86 C ATOM 144 C ASP A 18 22.893 25.317 29.785 1.00 12.24 C ATOM 145 O ASP A 18 23.184 26.263 30.556 1.00 12.74 O ATOM 146 CB ASP A 18 21.944 26.606 27.797 1.00 12.99 C ATOM 147 CG ASP A 18 23.202 26.393 26.972 1.00 15.74 C ATOM 148 OD1 ASP A 18 23.641 25.264 26.630 1.00 14.23 O ATOM 149 OD2 ASP A 18 23.814 27.430 26.589 1.00 16.98 O ATOM 0 H ASP A 18 19.991 26.178 29.365 1.00 10.83 H new ATOM 0 HA ASP A 18 21.808 24.632 28.235 1.00 11.86 H new ATOM 0 HB2 ASP A 18 21.171 26.672 27.214 1.00 12.99 H new ATOM 0 HB3 ASP A 18 22.004 27.442 28.285 1.00 12.99 H new ATOM 150 N GLY A 19 23.563 24.173 29.794 1.00 11.57 N ATOM 151 CA GLY A 19 24.691 23.967 30.718 1.00 11.28 C ATOM 152 C GLY A 19 24.254 23.494 32.091 1.00 11.60 C ATOM 153 O GLY A 19 25.137 23.407 32.953 1.00 11.96 O ATOM 0 H GLY A 19 23.389 23.504 29.282 1.00 11.57 H new ATOM 0 HA2 GLY A 19 25.301 23.316 30.336 1.00 11.28 H new ATOM 0 HA3 GLY A 19 25.184 24.798 30.809 1.00 11.28 H new ATOM 154 N TYR A 20 22.979 23.200 32.263 1.00 10.86 N ATOM 155 CA TYR A 20 22.471 22.733 33.579 1.00 11.00 C ATOM 156 C TYR A 20 23.220 21.438 33.954 1.00 10.39 C ATOM 157 O TYR A 20 23.157 20.463 33.198 1.00 9.08 O ATOM 158 CB TYR A 20 20.928 22.565 33.609 1.00 10.94 C ATOM 159 CG TYR A 20 20.442 22.326 35.034 1.00 11.85 C ATOM 160 CD1 TYR A 20 20.233 23.364 35.934 1.00 12.00 C ATOM 161 CD2 TYR A 20 20.239 21.042 35.505 1.00 10.79 C ATOM 162 CE1 TYR A 20 19.829 23.146 37.241 1.00 12.81 C ATOM 163 CE2 TYR A 20 19.793 20.791 36.791 1.00 10.72 C ATOM 164 CZ TYR A 20 19.600 21.834 37.681 1.00 13.18 C ATOM 165 OH TYR A 20 19.193 21.534 38.949 1.00 12.35 O ATOM 0 H TYR A 20 22.382 23.258 31.647 1.00 10.86 H new ATOM 0 HA TYR A 20 22.650 23.413 34.248 1.00 11.00 H new ATOM 0 HB2 TYR A 20 20.504 23.358 33.246 1.00 10.94 H new ATOM 0 HB3 TYR A 20 20.668 21.821 33.044 1.00 10.94 H new ATOM 0 HD1 TYR A 20 20.370 24.238 35.648 1.00 12.00 H new ATOM 0 HD2 TYR A 20 20.408 20.323 34.939 1.00 10.79 H new ATOM 0 HE1 TYR A 20 19.711 23.863 37.821 1.00 12.81 H new ATOM 0 HE2 TYR A 20 19.622 19.917 37.059 1.00 10.72 H new ATOM 0 HH TYR A 20 18.733 22.168 39.253 1.00 12.35 H new ATOM 166 N ARG A 21 23.854 21.477 35.114 1.00 12.08 N ATOM 167 CA ARG A 21 24.638 20.351 35.640 1.00 13.50 C ATOM 168 C ARG A 21 25.563 19.789 34.550 1.00 12.72 C ATOM 169 O ARG A 21 25.786 18.571 34.437 1.00 12.25 O ATOM 170 CB ARG A 21 23.716 19.273 36.224 1.00 17.72 C ATOM 171 CG ARG A 21 23.161 19.544 37.609 1.00 21.62 C ATOM 172 CD ARG A 21 24.185 19.281 38.638 1.00 28.13 C ATOM 173 NE ARG A 21 24.334 17.876 39.068 1.00 31.04 N ATOM 174 CZ ARG A 21 25.235 17.548 40.023 1.00 31.81 C ATOM 175 NH1 ARG A 21 25.263 16.299 40.451 1.00 33.90 N ATOM 176 NH2 ARG A 21 26.118 18.410 40.530 1.00 31.96 N ATOM 0 H ARG A 21 23.846 22.164 35.631 1.00 12.08 H new ATOM 0 HA ARG A 21 25.199 20.670 36.364 1.00 13.50 H new ATOM 0 HB2 ARG A 21 22.971 19.148 35.616 1.00 17.72 H new ATOM 0 HB3 ARG A 21 24.205 18.435 36.250 1.00 17.72 H new ATOM 0 HG2 ARG A 21 22.864 20.465 37.669 1.00 21.62 H new ATOM 0 HG3 ARG A 21 22.385 18.984 37.767 1.00 21.62 H new ATOM 0 HD2 ARG A 21 25.041 19.589 38.301 1.00 28.13 H new ATOM 0 HD3 ARG A 21 23.977 19.818 39.419 1.00 28.13 H new ATOM 0 HE ARG A 21 23.847 17.264 38.710 1.00 31.04 H new ATOM 0 HH11 ARG A 21 24.718 15.720 40.123 1.00 33.90 H new ATOM 0 HH12 ARG A 21 25.826 16.065 41.057 1.00 33.90 H new ATOM 0 HH21 ARG A 21 26.134 19.223 40.250 1.00 31.96 H new ATOM 0 HH22 ARG A 21 26.671 18.153 41.136 1.00 31.96 H new ATOM 177 N GLY A 22 26.126 20.676 33.744 1.00 10.86 N ATOM 178 CA GLY A 22 27.043 20.408 32.658 1.00 9.01 C ATOM 179 C GLY A 22 26.418 19.931 31.370 1.00 8.55 C ATOM 180 O GLY A 22 27.185 19.497 30.481 1.00 10.42 O ATOM 0 H GLY A 22 25.967 21.517 33.828 1.00 10.86 H new ATOM 0 HA2 GLY A 22 27.544 21.218 32.474 1.00 9.01 H new ATOM 0 HA3 GLY A 22 27.681 19.740 32.954 1.00 9.01 H new ATOM 181 N ILE A 23 25.101 20.001 31.201 1.00 8.61 N ATOM 182 CA ILE A 23 24.468 19.507 29.966 1.00 7.68 C ATOM 183 C ILE A 23 24.099 20.659 29.024 1.00 8.25 C ATOM 184 O ILE A 23 23.256 21.455 29.409 1.00 8.16 O ATOM 185 CB ILE A 23 23.165 18.676 30.273 1.00 7.03 C ATOM 186 CG1 ILE A 23 23.493 17.584 31.344 1.00 6.30 C ATOM 187 CG2 ILE A 23 22.494 18.169 28.985 1.00 6.79 C ATOM 188 CD1 ILE A 23 22.191 17.209 32.146 1.00 6.04 C ATOM 0 H ILE A 23 24.555 20.327 31.780 1.00 8.61 H new ATOM 0 HA ILE A 23 25.122 18.934 29.537 1.00 7.68 H new ATOM 0 HB ILE A 23 22.484 19.243 30.667 1.00 7.03 H new ATOM 0 HG12 ILE A 23 23.854 16.794 30.912 1.00 6.30 H new ATOM 0 HG13 ILE A 23 24.174 17.911 31.952 1.00 6.30 H new ATOM 0 HG21 ILE A 23 21.698 17.663 29.212 1.00 6.79 H new ATOM 0 HG22 ILE A 23 22.249 18.925 28.429 1.00 6.79 H new ATOM 0 HG23 ILE A 23 23.112 17.599 28.501 1.00 6.79 H new ATOM 0 HD11 ILE A 23 22.402 16.532 32.808 1.00 6.04 H new ATOM 0 HD12 ILE A 23 21.846 17.999 32.591 1.00 6.04 H new ATOM 0 HD13 ILE A 23 21.522 16.865 31.534 1.00 6.04 H new ATOM 189 N SER A 24 24.705 20.608 27.840 1.00 8.77 N ATOM 190 CA SER A 24 24.451 21.662 26.833 1.00 7.73 C ATOM 191 C SER A 24 23.028 21.570 26.311 1.00 8.03 C ATOM 192 O SER A 24 22.326 20.518 26.252 1.00 7.07 O ATOM 193 CB SER A 24 25.454 21.576 25.683 1.00 8.42 C ATOM 194 OG SER A 24 25.120 20.455 24.828 1.00 10.87 O ATOM 0 H SER A 24 25.254 19.993 27.596 1.00 8.77 H new ATOM 0 HA SER A 24 24.564 22.523 27.265 1.00 7.73 H new ATOM 0 HB2 SER A 24 25.444 22.400 25.171 1.00 8.42 H new ATOM 0 HB3 SER A 24 26.353 21.471 26.033 1.00 8.42 H new ATOM 0 HG SER A 24 25.479 20.559 24.076 1.00 10.87 H new ATOM 195 N LEU A 25 22.553 22.749 25.846 1.00 7.63 N ATOM 196 CA LEU A 25 21.184 22.794 25.281 1.00 7.94 C ATOM 197 C LEU A 25 20.938 21.757 24.172 1.00 8.31 C ATOM 198 O LEU A 25 19.838 21.178 24.123 1.00 8.47 O ATOM 199 CB LEU A 25 20.966 24.257 24.790 1.00 8.94 C ATOM 200 CG LEU A 25 19.569 24.524 24.255 1.00 10.88 C ATOM 201 CD1 LEU A 25 18.478 24.320 25.288 1.00 11.33 C ATOM 202 CD2 LEU A 25 19.506 25.975 23.732 1.00 10.76 C ATOM 0 H LEU A 25 22.982 23.495 25.847 1.00 7.63 H new ATOM 0 HA LEU A 25 20.536 22.551 25.961 1.00 7.94 H new ATOM 0 HB2 LEU A 25 21.143 24.865 25.524 1.00 8.94 H new ATOM 0 HB3 LEU A 25 21.613 24.455 24.095 1.00 8.94 H new ATOM 0 HG LEU A 25 19.407 23.882 23.547 1.00 10.88 H new ATOM 0 HD11 LEU A 25 17.614 24.505 24.887 1.00 11.33 H new ATOM 0 HD12 LEU A 25 18.498 23.403 25.603 1.00 11.33 H new ATOM 0 HD13 LEU A 25 18.623 24.921 26.035 1.00 11.33 H new ATOM 0 HD21 LEU A 25 18.618 26.157 23.388 1.00 10.76 H new ATOM 0 HD22 LEU A 25 19.703 26.589 24.456 1.00 10.76 H new ATOM 0 HD23 LEU A 25 20.157 26.092 23.023 1.00 10.76 H new ATOM 203 N ALA A 26 21.898 21.592 23.295 1.00 7.90 N ATOM 204 CA ALA A 26 21.793 20.652 22.152 1.00 7.84 C ATOM 205 C ALA A 26 21.530 19.226 22.636 1.00 7.91 C ATOM 206 O ALA A 26 20.858 18.485 21.897 1.00 6.88 O ATOM 207 CB ALA A 26 23.038 20.740 21.256 1.00 8.32 C ATOM 0 H ALA A 26 22.645 22.017 23.328 1.00 7.90 H new ATOM 0 HA ALA A 26 21.031 20.912 21.611 1.00 7.84 H new ATOM 0 HB1 ALA A 26 22.949 20.119 20.516 1.00 8.32 H new ATOM 0 HB2 ALA A 26 23.126 21.642 20.911 1.00 8.32 H new ATOM 0 HB3 ALA A 26 23.826 20.515 21.774 1.00 8.32 H new ATOM 208 N ASN A 27 22.053 18.878 23.792 1.00 7.96 N ATOM 209 CA ASN A 27 21.847 17.526 24.386 1.00 6.39 C ATOM 210 C ASN A 27 20.390 17.390 24.810 1.00 7.30 C ATOM 211 O ASN A 27 19.746 16.342 24.556 1.00 6.11 O ATOM 212 CB ASN A 27 22.797 17.276 25.556 1.00 7.88 C ATOM 213 CG ASN A 27 24.120 16.747 24.988 1.00 10.43 C ATOM 214 OD1 ASN A 27 24.159 15.645 24.414 1.00 9.32 O ATOM 215 ND2 ASN A 27 25.198 17.543 25.060 1.00 10.61 N ATOM 0 H ASN A 27 22.540 19.401 24.271 1.00 7.96 H new ATOM 0 HA ASN A 27 22.050 16.851 23.719 1.00 6.39 H new ATOM 0 HB2 ASN A 27 22.945 18.095 26.054 1.00 7.88 H new ATOM 0 HB3 ASN A 27 22.413 16.635 26.174 1.00 7.88 H new ATOM 0 HD21 ASN A 27 25.940 17.295 24.704 1.00 10.61 H new ATOM 0 HD22 ASN A 27 25.147 18.301 25.463 1.00 10.61 H new ATOM 216 N TRP A 28 19.897 18.427 25.489 1.00 5.79 N ATOM 217 CA TRP A 28 18.465 18.403 25.893 1.00 6.39 C ATOM 218 C TRP A 28 17.571 18.313 24.649 1.00 6.14 C ATOM 219 O TRP A 28 16.539 17.609 24.665 1.00 6.51 O ATOM 220 CB TRP A 28 18.150 19.643 26.700 1.00 7.14 C ATOM 221 CG TRP A 28 18.761 19.737 28.045 1.00 7.68 C ATOM 222 CD1 TRP A 28 19.723 20.621 28.467 1.00 8.00 C ATOM 223 CD2 TRP A 28 18.452 18.910 29.176 1.00 8.53 C ATOM 224 NE1 TRP A 28 19.997 20.426 29.808 1.00 6.96 N ATOM 225 CE2 TRP A 28 19.212 19.392 30.254 1.00 8.62 C ATOM 226 CE3 TRP A 28 17.560 17.854 29.369 1.00 9.57 C ATOM 227 CZ2 TRP A 28 19.174 18.794 31.503 1.00 10.23 C ATOM 228 CZ3 TRP A 28 17.493 17.254 30.608 1.00 8.50 C ATOM 229 CH2 TRP A 28 18.274 17.731 31.659 1.00 10.51 C ATOM 0 H TRP A 28 20.340 19.127 25.722 1.00 5.79 H new ATOM 0 HA TRP A 28 18.293 17.623 26.444 1.00 6.39 H new ATOM 0 HB2 TRP A 28 18.429 20.417 26.186 1.00 7.14 H new ATOM 0 HB3 TRP A 28 17.187 19.702 26.801 1.00 7.14 H new ATOM 0 HD1 TRP A 28 20.132 21.259 27.928 1.00 8.00 H new ATOM 0 HE1 TRP A 28 20.560 20.874 30.280 1.00 6.96 H new ATOM 0 HE3 TRP A 28 17.019 17.560 28.672 1.00 9.57 H new ATOM 0 HZ2 TRP A 28 19.717 19.083 32.201 1.00 10.23 H new ATOM 0 HZ3 TRP A 28 16.926 16.530 30.743 1.00 8.50 H new ATOM 0 HH2 TRP A 28 18.195 17.329 32.494 1.00 10.51 H new ATOM 230 N MET A 29 17.925 19.023 23.605 1.00 5.43 N ATOM 231 CA MET A 29 17.166 18.987 22.330 1.00 6.24 C ATOM 232 C MET A 29 17.219 17.549 21.738 1.00 6.46 C ATOM 233 O MET A 29 16.153 17.003 21.389 1.00 8.14 O ATOM 234 CB MET A 29 17.654 20.018 21.313 1.00 5.85 C ATOM 235 CG MET A 29 17.334 21.429 21.811 1.00 7.48 C ATOM 236 SD MET A 29 15.567 21.819 21.744 1.00 10.58 S ATOM 237 CE MET A 29 15.162 21.639 20.039 1.00 9.20 C ATOM 0 H MET A 29 18.608 19.546 23.593 1.00 5.43 H new ATOM 0 HA MET A 29 16.247 19.226 22.529 1.00 6.24 H new ATOM 0 HB2 MET A 29 18.610 19.923 21.177 1.00 5.85 H new ATOM 0 HB3 MET A 29 17.229 19.865 20.455 1.00 5.85 H new ATOM 0 HG2 MET A 29 17.646 21.523 22.725 1.00 7.48 H new ATOM 0 HG3 MET A 29 17.823 22.074 21.276 1.00 7.48 H new ATOM 0 HE1 MET A 29 14.281 22.010 19.875 1.00 9.20 H new ATOM 0 HE2 MET A 29 15.816 22.110 19.499 1.00 9.20 H new ATOM 0 HE3 MET A 29 15.165 20.698 19.803 1.00 9.20 H new ATOM 238 N CYS A 30 18.410 17.003 21.649 1.00 7.15 N ATOM 239 CA CYS A 30 18.581 15.631 21.141 1.00 8.13 C ATOM 240 C CYS A 30 17.685 14.679 21.937 1.00 8.53 C ATOM 241 O CYS A 30 16.976 13.852 21.353 1.00 7.99 O ATOM 242 CB CYS A 30 20.069 15.237 21.241 1.00 9.08 C ATOM 243 SG CYS A 30 20.298 13.607 20.366 1.00 9.33 S ATOM 0 H CYS A 30 19.141 17.397 21.873 1.00 7.15 H new ATOM 0 HA CYS A 30 18.317 15.577 20.209 1.00 8.13 H new ATOM 0 HB2 CYS A 30 20.628 15.919 20.837 1.00 9.08 H new ATOM 0 HB3 CYS A 30 20.338 15.163 22.170 1.00 9.08 H new ATOM 244 N LEU A 31 17.706 14.815 23.288 1.00 8.55 N ATOM 245 CA LEU A 31 16.838 13.977 24.134 1.00 8.54 C ATOM 246 C LEU A 31 15.357 14.104 23.823 1.00 9.71 C ATOM 247 O LEU A 31 14.660 13.058 23.641 1.00 8.07 O ATOM 248 CB LEU A 31 17.122 14.284 25.621 1.00 8.31 C ATOM 249 CG LEU A 31 16.305 13.489 26.649 1.00 7.06 C ATOM 250 CD1 LEU A 31 16.718 12.020 26.663 1.00 10.74 C ATOM 251 CD2 LEU A 31 16.583 14.091 28.038 1.00 8.46 C ATOM 0 H LEU A 31 18.203 15.372 23.715 1.00 8.55 H new ATOM 0 HA LEU A 31 17.058 13.053 23.935 1.00 8.54 H new ATOM 0 HB2 LEU A 31 18.063 14.123 25.790 1.00 8.31 H new ATOM 0 HB3 LEU A 31 16.964 15.229 25.772 1.00 8.31 H new ATOM 0 HG LEU A 31 15.364 13.540 26.418 1.00 7.06 H new ATOM 0 HD11 LEU A 31 16.188 11.541 27.319 1.00 10.74 H new ATOM 0 HD12 LEU A 31 16.571 11.634 25.785 1.00 10.74 H new ATOM 0 HD13 LEU A 31 17.658 11.950 26.893 1.00 10.74 H new ATOM 0 HD21 LEU A 31 16.077 13.605 28.708 1.00 8.46 H new ATOM 0 HD22 LEU A 31 17.530 14.024 28.236 1.00 8.46 H new ATOM 0 HD23 LEU A 31 16.317 15.024 28.046 1.00 8.46 H new ATOM 252 N ALA A 32 14.821 15.351 23.806 1.00 7.08 N ATOM 253 CA ALA A 32 13.377 15.523 23.532 1.00 6.10 C ATOM 254 C ALA A 32 12.998 14.991 22.145 1.00 7.50 C ATOM 255 O ALA A 32 11.899 14.455 21.977 1.00 6.92 O ATOM 256 CB ALA A 32 13.019 17.013 23.645 1.00 6.88 C ATOM 0 H ALA A 32 15.259 16.078 23.945 1.00 7.08 H new ATOM 0 HA ALA A 32 12.876 15.011 24.185 1.00 6.10 H new ATOM 0 HB1 ALA A 32 12.073 17.133 23.466 1.00 6.88 H new ATOM 0 HB2 ALA A 32 13.221 17.328 24.540 1.00 6.88 H new ATOM 0 HB3 ALA A 32 13.536 17.520 23.000 1.00 6.88 H new ATOM 257 N LYS A 33 13.935 15.180 21.201 1.00 6.74 N ATOM 258 CA LYS A 33 13.668 14.727 19.827 1.00 8.80 C ATOM 259 C LYS A 33 13.403 13.209 19.796 1.00 8.80 C ATOM 260 O LYS A 33 12.370 12.772 19.258 1.00 8.86 O ATOM 261 CB LYS A 33 14.791 15.080 18.868 1.00 9.62 C ATOM 262 CG LYS A 33 14.396 14.910 17.395 1.00 14.10 C ATOM 263 CD LYS A 33 14.739 13.499 16.925 1.00 18.29 C ATOM 264 CE LYS A 33 14.469 13.363 15.433 1.00 20.08 C ATOM 265 NZ LYS A 33 14.811 11.972 15.026 1.00 24.50 N ATOM 0 H LYS A 33 14.700 15.552 21.328 1.00 6.74 H new ATOM 0 HA LYS A 33 12.874 15.198 19.528 1.00 8.80 H new ATOM 0 HB2 LYS A 33 15.064 15.998 19.021 1.00 9.62 H new ATOM 0 HB3 LYS A 33 15.560 14.520 19.058 1.00 9.62 H new ATOM 0 HG2 LYS A 33 13.446 15.074 17.286 1.00 14.10 H new ATOM 0 HG3 LYS A 33 14.861 15.563 16.850 1.00 14.10 H new ATOM 0 HD2 LYS A 33 15.671 13.306 17.111 1.00 18.29 H new ATOM 0 HD3 LYS A 33 14.212 12.850 17.417 1.00 18.29 H new ATOM 0 HE2 LYS A 33 13.538 13.554 15.238 1.00 20.08 H new ATOM 0 HE3 LYS A 33 15.000 14.002 14.933 1.00 20.08 H new ATOM 0 HZ1 LYS A 33 14.985 11.952 14.153 1.00 24.50 H new ATOM 0 HZ2 LYS A 33 15.528 11.698 15.477 1.00 24.50 H new ATOM 0 HZ3 LYS A 33 14.125 11.433 15.204 1.00 24.50 H new ATOM 266 N TRP A 34 14.340 12.467 20.370 1.00 9.97 N ATOM 267 CA TRP A 34 14.230 10.980 20.344 1.00 10.27 C ATOM 268 C TRP A 34 13.240 10.421 21.343 1.00 10.52 C ATOM 269 O TRP A 34 12.756 9.289 21.088 1.00 11.32 O ATOM 270 CB TRP A 34 15.654 10.414 20.501 1.00 11.93 C ATOM 271 CG TRP A 34 16.442 10.719 19.267 1.00 13.10 C ATOM 272 CD1 TRP A 34 17.442 11.624 19.125 1.00 12.84 C ATOM 273 CD2 TRP A 34 16.247 10.110 17.980 1.00 14.63 C ATOM 274 NE1 TRP A 34 17.876 11.630 17.818 1.00 14.13 N ATOM 275 CE2 TRP A 34 17.166 10.719 17.102 1.00 14.88 C ATOM 276 CE3 TRP A 34 15.386 9.096 17.516 1.00 14.99 C ATOM 277 CZ2 TRP A 34 17.262 10.355 15.757 1.00 15.54 C ATOM 278 CZ3 TRP A 34 15.494 8.740 16.183 1.00 15.64 C ATOM 279 CH2 TRP A 34 16.414 9.335 15.320 1.00 16.42 C ATOM 0 H TRP A 34 15.034 12.777 20.773 1.00 9.97 H new ATOM 0 HA TRP A 34 13.855 10.697 19.495 1.00 10.27 H new ATOM 0 HB2 TRP A 34 16.085 10.804 21.278 1.00 11.93 H new ATOM 0 HB3 TRP A 34 15.619 9.456 20.647 1.00 11.93 H new ATOM 0 HD1 TRP A 34 17.782 12.158 19.806 1.00 12.84 H new ATOM 0 HE1 TRP A 34 18.499 12.132 17.504 1.00 14.13 H new ATOM 0 HE3 TRP A 34 14.772 8.684 18.080 1.00 14.99 H new ATOM 0 HZ2 TRP A 34 17.861 10.771 15.181 1.00 15.54 H new ATOM 0 HZ3 TRP A 34 14.931 8.079 15.850 1.00 15.64 H new ATOM 0 HH2 TRP A 34 16.464 9.047 14.437 1.00 16.42 H new ATOM 280 N GLU A 35 12.994 11.089 22.450 1.00 8.65 N ATOM 281 CA GLU A 35 12.057 10.580 23.417 1.00 8.48 C ATOM 282 C GLU A 35 10.603 10.780 22.997 1.00 9.29 C ATOM 283 O GLU A 35 9.824 9.831 23.059 1.00 8.94 O ATOM 284 CB GLU A 35 12.265 11.113 24.832 1.00 9.65 C ATOM 285 CG GLU A 35 13.568 10.681 25.502 1.00 11.12 C ATOM 286 CD GLU A 35 13.538 9.234 25.949 1.00 13.42 C ATOM 287 OE1 GLU A 35 12.529 8.565 25.771 1.00 12.18 O ATOM 288 OE2 GLU A 35 14.631 8.913 26.475 1.00 16.63 O ATOM 0 H GLU A 35 13.360 11.839 22.659 1.00 8.65 H new ATOM 0 HA GLU A 35 12.246 9.629 23.440 1.00 8.48 H new ATOM 0 HB2 GLU A 35 12.237 12.082 24.805 1.00 9.65 H new ATOM 0 HB3 GLU A 35 11.522 10.823 25.384 1.00 9.65 H new ATOM 0 HG2 GLU A 35 14.304 10.810 24.884 1.00 11.12 H new ATOM 0 HG3 GLU A 35 13.738 11.250 26.269 1.00 11.12 H new ATOM 289 N SER A 36 10.215 11.979 22.559 1.00 9.45 N ATOM 290 CA SER A 36 8.841 12.280 22.191 1.00 9.53 C ATOM 291 C SER A 36 8.611 12.943 20.856 1.00 10.19 C ATOM 292 O SER A 36 7.407 13.160 20.526 1.00 12.45 O ATOM 293 CB SER A 36 8.217 13.225 23.265 1.00 10.24 C ATOM 294 OG SER A 36 8.958 14.460 23.230 1.00 11.51 O ATOM 0 H SER A 36 10.752 12.644 22.468 1.00 9.45 H new ATOM 0 HA SER A 36 8.430 11.403 22.132 1.00 9.53 H new ATOM 0 HB2 SER A 36 7.279 13.384 23.077 1.00 10.24 H new ATOM 0 HB3 SER A 36 8.266 12.821 24.146 1.00 10.24 H new ATOM 0 HG SER A 36 9.472 14.497 23.893 1.00 11.51 H new ATOM 295 N GLY A 37 9.637 13.263 20.106 1.00 9.15 N ATOM 296 CA GLY A 37 9.402 13.991 18.834 1.00 9.36 C ATOM 297 C GLY A 37 8.875 15.390 19.229 1.00 9.77 C ATOM 298 O GLY A 37 8.095 15.974 18.478 1.00 10.30 O ATOM 0 H GLY A 37 10.459 13.086 20.287 1.00 9.15 H new ATOM 0 HA2 GLY A 37 10.221 14.062 18.319 1.00 9.36 H new ATOM 0 HA3 GLY A 37 8.758 13.522 18.280 1.00 9.36 H new ATOM 299 N TYR A 38 9.292 15.949 20.330 1.00 10.00 N ATOM 300 CA TYR A 38 8.909 17.260 20.858 1.00 10.39 C ATOM 301 C TYR A 38 7.421 17.374 21.186 1.00 11.31 C ATOM 302 O TYR A 38 6.821 18.464 21.159 1.00 10.88 O ATOM 303 CB TYR A 38 9.300 18.368 19.868 1.00 9.33 C ATOM 304 CG TYR A 38 10.701 18.399 19.312 1.00 8.96 C ATOM 305 CD1 TYR A 38 10.914 18.601 17.957 1.00 8.56 C ATOM 306 CD2 TYR A 38 11.823 18.208 20.119 1.00 9.00 C ATOM 307 CE1 TYR A 38 12.195 18.653 17.373 1.00 9.81 C ATOM 308 CE2 TYR A 38 13.102 18.224 19.585 1.00 9.01 C ATOM 309 CZ TYR A 38 13.279 18.474 18.234 1.00 10.72 C ATOM 310 OH TYR A 38 14.568 18.502 17.759 1.00 10.52 O ATOM 0 H TYR A 38 9.855 15.551 20.844 1.00 10.00 H new ATOM 0 HA TYR A 38 9.392 17.365 21.692 1.00 10.39 H new ATOM 0 HB2 TYR A 38 8.689 18.316 19.116 1.00 9.33 H new ATOM 0 HB3 TYR A 38 9.141 19.219 20.305 1.00 9.33 H new ATOM 0 HD1 TYR A 38 10.173 18.708 17.405 1.00 8.56 H new ATOM 0 HD2 TYR A 38 11.711 18.067 21.031 1.00 9.00 H new ATOM 0 HE1 TYR A 38 12.312 18.799 16.462 1.00 9.81 H new ATOM 0 HE2 TYR A 38 13.838 18.068 20.131 1.00 9.01 H new ATOM 0 HH TYR A 38 15.104 18.381 18.395 1.00 10.52 H new ATOM 311 N ASN A 39 6.802 16.255 21.542 1.00 10.42 N ATOM 312 CA ASN A 39 5.376 16.159 21.866 1.00 10.75 C ATOM 313 C ASN A 39 5.139 16.130 23.372 1.00 10.45 C ATOM 314 O ASN A 39 5.549 15.150 24.016 1.00 11.56 O ATOM 315 CB ASN A 39 4.826 14.876 21.166 1.00 10.62 C ATOM 316 CG ASN A 39 3.302 14.833 21.238 1.00 11.82 C ATOM 317 OD1 ASN A 39 2.606 15.690 21.801 1.00 11.10 O ATOM 318 ND2 ASN A 39 2.716 13.790 20.622 1.00 12.44 N ATOM 0 H ASN A 39 7.212 15.502 21.605 1.00 10.42 H new ATOM 0 HA ASN A 39 4.905 16.943 21.544 1.00 10.75 H new ATOM 0 HB2 ASN A 39 5.111 14.860 20.239 1.00 10.62 H new ATOM 0 HB3 ASN A 39 5.197 14.086 21.590 1.00 10.62 H new ATOM 0 HD21 ASN A 39 1.859 13.718 20.619 1.00 12.44 H new ATOM 0 HD22 ASN A 39 3.198 13.195 20.231 1.00 12.44 H new ATOM 319 N THR A 40 4.454 17.109 23.956 1.00 9.26 N ATOM 320 CA THR A 40 4.226 17.112 25.387 1.00 10.31 C ATOM 321 C THR A 40 3.163 16.101 25.794 1.00 10.92 C ATOM 322 O THR A 40 3.137 15.808 27.027 1.00 11.53 O ATOM 323 CB THR A 40 3.837 18.563 25.903 1.00 10.43 C ATOM 324 OG1 THR A 40 2.577 18.876 25.216 1.00 10.61 O ATOM 325 CG2 THR A 40 4.901 19.616 25.554 1.00 10.92 C ATOM 0 H THR A 40 4.115 17.779 23.537 1.00 9.26 H new ATOM 0 HA THR A 40 5.060 16.849 25.807 1.00 10.31 H new ATOM 0 HB THR A 40 3.762 18.578 26.870 1.00 10.43 H new ATOM 0 HG1 THR A 40 1.931 18.706 25.725 1.00 10.61 H new ATOM 0 HG21 THR A 40 4.621 20.483 25.888 1.00 10.92 H new ATOM 0 HG22 THR A 40 5.746 19.370 25.962 1.00 10.92 H new ATOM 0 HG23 THR A 40 5.009 19.661 24.591 1.00 10.92 H new ATOM 326 N ARG A 41 2.317 15.664 24.888 1.00 11.90 N ATOM 327 CA ARG A 41 1.284 14.709 25.403 1.00 15.84 C ATOM 328 C ARG A 41 1.683 13.246 25.230 1.00 15.51 C ATOM 329 O ARG A 41 0.825 12.387 25.545 1.00 16.10 O ATOM 330 CB ARG A 41 -0.124 14.997 24.883 1.00 20.45 C ATOM 331 CG ARG A 41 -0.376 14.527 23.467 1.00 25.11 C ATOM 332 CD ARG A 41 -1.824 14.629 23.083 1.00 32.30 C ATOM 333 NE ARG A 41 -2.662 13.572 23.665 1.00 36.40 N ATOM 334 CZ ARG A 41 -3.972 13.739 23.886 1.00 39.38 C ATOM 335 NH1 ARG A 41 -4.580 14.863 23.470 1.00 41.45 N ATOM 336 NH2 ARG A 41 -4.665 12.876 24.629 1.00 39.88 N ATOM 0 H ARG A 41 2.295 15.864 24.052 1.00 11.90 H new ATOM 0 HA ARG A 41 1.248 14.868 26.359 1.00 15.84 H new ATOM 0 HB2 ARG A 41 -0.767 14.573 25.472 1.00 20.45 H new ATOM 0 HB3 ARG A 41 -0.284 15.953 24.928 1.00 20.45 H new ATOM 0 HG2 ARG A 41 0.157 15.056 22.853 1.00 25.11 H new ATOM 0 HG3 ARG A 41 -0.084 13.607 23.377 1.00 25.11 H new ATOM 0 HD2 ARG A 41 -2.165 15.493 23.363 1.00 32.30 H new ATOM 0 HD3 ARG A 41 -1.898 14.595 22.116 1.00 32.30 H new ATOM 0 HE ARG A 41 -2.299 12.820 23.871 1.00 36.40 H new ATOM 0 HH11 ARG A 41 -4.128 15.471 23.064 1.00 41.45 H new ATOM 0 HH12 ARG A 41 -5.421 14.974 23.610 1.00 41.45 H new ATOM 0 HH21 ARG A 41 -4.271 12.195 24.977 1.00 39.88 H new ATOM 0 HH22 ARG A 41 -5.506 13.000 24.760 1.00 39.88 H new ATOM 337 N ALA A 42 2.890 12.970 24.739 1.00 15.00 N ATOM 338 CA ALA A 42 3.316 11.564 24.538 1.00 15.56 C ATOM 339 C ALA A 42 3.344 10.786 25.870 1.00 14.55 C ATOM 340 O ALA A 42 3.823 11.256 26.882 1.00 11.98 O ATOM 341 CB ALA A 42 4.709 11.518 23.923 1.00 13.91 C ATOM 0 H ALA A 42 3.473 13.562 24.517 1.00 15.00 H new ATOM 0 HA ALA A 42 2.671 11.150 23.943 1.00 15.56 H new ATOM 0 HB1 ALA A 42 4.977 10.594 23.796 1.00 13.91 H new ATOM 0 HB2 ALA A 42 4.700 11.972 23.066 1.00 13.91 H new ATOM 0 HB3 ALA A 42 5.339 11.958 24.515 1.00 13.91 H new ATOM 342 N THR A 43 2.859 9.557 25.774 1.00 15.43 N ATOM 343 CA THR A 43 2.853 8.611 26.911 1.00 15.33 C ATOM 344 C THR A 43 3.243 7.234 26.321 1.00 16.55 C ATOM 345 O THR A 43 2.885 6.904 25.172 1.00 16.20 O ATOM 346 CB THR A 43 1.552 8.504 27.772 1.00 16.61 C ATOM 347 OG1 THR A 43 0.520 8.025 26.843 1.00 19.01 O ATOM 348 CG2 THR A 43 1.076 9.792 28.459 1.00 15.54 C ATOM 0 H THR A 43 2.521 9.236 25.051 1.00 15.43 H new ATOM 0 HA THR A 43 3.481 8.958 27.564 1.00 15.33 H new ATOM 0 HB THR A 43 1.736 7.914 28.519 1.00 16.61 H new ATOM 0 HG1 THR A 43 -0.210 7.945 27.251 1.00 19.01 H new ATOM 0 HG21 THR A 43 0.267 9.611 28.962 1.00 15.54 H new ATOM 0 HG22 THR A 43 1.766 10.112 29.061 1.00 15.54 H new ATOM 0 HG23 THR A 43 0.894 10.469 27.788 1.00 15.54 H new ATOM 349 N ASN A 44 4.011 6.499 27.097 1.00 16.06 N ATOM 350 CA ASN A 44 4.469 5.157 26.668 1.00 16.89 C ATOM 351 C ASN A 44 4.317 4.225 27.884 1.00 15.58 C ATOM 352 O ASN A 44 5.060 4.459 28.830 1.00 13.42 O ATOM 353 CB ASN A 44 5.931 5.166 26.242 1.00 20.67 C ATOM 354 CG ASN A 44 6.480 3.741 26.142 1.00 25.38 C ATOM 355 OD1 ASN A 44 6.096 3.026 25.208 1.00 27.82 O ATOM 356 ND2 ASN A 44 7.318 3.305 27.076 1.00 26.91 N ATOM 0 H ASN A 44 4.287 6.741 27.875 1.00 16.06 H new ATOM 0 HA ASN A 44 3.943 4.865 25.907 1.00 16.89 H new ATOM 0 HB2 ASN A 44 6.019 5.611 25.385 1.00 20.67 H new ATOM 0 HB3 ASN A 44 6.455 5.674 26.881 1.00 20.67 H new ATOM 0 HD21 ASN A 44 7.614 2.498 27.045 1.00 26.91 H new ATOM 0 HD22 ASN A 44 7.564 3.830 27.711 1.00 26.91 H new ATOM 357 N TYR A 45 3.425 3.249 27.764 1.00 15.74 N ATOM 358 CA TYR A 45 3.286 2.285 28.883 1.00 14.87 C ATOM 359 C TYR A 45 4.358 1.198 28.689 1.00 14.71 C ATOM 360 O TYR A 45 4.618 0.730 27.571 1.00 16.11 O ATOM 361 CB TYR A 45 1.862 1.712 28.868 1.00 15.41 C ATOM 362 CG TYR A 45 1.635 0.614 29.880 1.00 16.48 C ATOM 363 CD1 TYR A 45 1.401 -0.726 29.520 1.00 18.29 C ATOM 364 CD2 TYR A 45 1.700 0.950 31.226 1.00 15.86 C ATOM 365 CE1 TYR A 45 1.193 -1.710 30.511 1.00 17.89 C ATOM 366 CE2 TYR A 45 1.505 -0.007 32.217 1.00 17.80 C ATOM 367 CZ TYR A 45 1.229 -1.336 31.843 1.00 17.33 C ATOM 368 OH TYR A 45 1.052 -2.186 32.914 1.00 17.79 O ATOM 0 H TYR A 45 2.910 3.119 27.087 1.00 15.74 H new ATOM 0 HA TYR A 45 3.420 2.703 29.748 1.00 14.87 H new ATOM 0 HB2 TYR A 45 1.232 2.430 29.036 1.00 15.41 H new ATOM 0 HB3 TYR A 45 1.670 1.368 27.982 1.00 15.41 H new ATOM 0 HD1 TYR A 45 1.383 -0.966 28.622 1.00 18.29 H new ATOM 0 HD2 TYR A 45 1.877 1.830 31.469 1.00 15.86 H new ATOM 0 HE1 TYR A 45 1.034 -2.595 30.273 1.00 17.89 H new ATOM 0 HE2 TYR A 45 1.556 0.228 33.115 1.00 17.80 H new ATOM 0 HH TYR A 45 1.114 -1.751 33.630 1.00 17.79 H new ATOM 369 N ASN A 46 5.002 0.783 29.746 1.00 14.32 N ATOM 370 CA ASN A 46 6.033 -0.259 29.772 1.00 15.37 C ATOM 371 C ASN A 46 5.353 -1.511 30.387 1.00 15.29 C ATOM 372 O ASN A 46 5.325 -1.625 31.631 1.00 15.18 O ATOM 373 CB ASN A 46 7.266 0.197 30.537 1.00 14.13 C ATOM 374 CG ASN A 46 7.806 1.500 29.973 1.00 18.36 C ATOM 375 OD1 ASN A 46 8.234 1.543 28.791 1.00 19.90 O ATOM 376 ND2 ASN A 46 7.728 2.546 30.781 1.00 18.44 N ATOM 0 H ASN A 46 4.851 1.113 30.526 1.00 14.32 H new ATOM 0 HA ASN A 46 6.366 -0.464 28.884 1.00 15.37 H new ATOM 0 HB2 ASN A 46 7.044 0.314 31.474 1.00 14.13 H new ATOM 0 HB3 ASN A 46 7.951 -0.488 30.491 1.00 14.13 H new ATOM 0 HD21 ASN A 46 7.980 3.321 30.507 1.00 18.44 H new ATOM 0 HD22 ASN A 46 7.425 2.450 31.580 1.00 18.44 H new ATOM 377 N ALA A 47 4.789 -2.336 29.522 1.00 16.16 N ATOM 378 CA ALA A 47 4.080 -3.549 30.025 1.00 17.61 C ATOM 379 C ALA A 47 4.945 -4.414 30.939 1.00 17.53 C ATOM 380 O ALA A 47 4.464 -5.045 31.905 1.00 17.82 O ATOM 381 CB ALA A 47 3.605 -4.402 28.838 1.00 17.88 C ATOM 0 H ALA A 47 4.792 -2.236 28.668 1.00 16.16 H new ATOM 0 HA ALA A 47 3.328 -3.232 30.549 1.00 17.61 H new ATOM 0 HB1 ALA A 47 3.145 -5.189 29.169 1.00 17.88 H new ATOM 0 HB2 ALA A 47 3.000 -3.882 28.287 1.00 17.88 H new ATOM 0 HB3 ALA A 47 4.370 -4.674 28.308 1.00 17.88 H new ATOM 382 N GLY A 48 6.234 -4.426 30.628 1.00 17.98 N ATOM 383 CA GLY A 48 7.254 -5.172 31.331 1.00 17.31 C ATOM 384 C GLY A 48 7.368 -4.896 32.806 1.00 16.75 C ATOM 385 O GLY A 48 7.599 -5.858 33.600 1.00 17.08 O ATOM 0 H GLY A 48 6.549 -3.975 29.967 1.00 17.98 H new ATOM 0 HA2 GLY A 48 7.081 -6.119 31.209 1.00 17.31 H new ATOM 0 HA3 GLY A 48 8.111 -4.985 30.917 1.00 17.31 H new ATOM 386 N ASP A 49 7.263 -3.638 33.235 1.00 15.65 N ATOM 387 CA ASP A 49 7.393 -3.316 34.680 1.00 13.70 C ATOM 388 C ASP A 49 6.230 -2.491 35.237 1.00 12.87 C ATOM 389 O ASP A 49 6.287 -2.043 36.397 1.00 11.82 O ATOM 390 CB ASP A 49 8.737 -2.663 34.951 1.00 15.79 C ATOM 391 CG ASP A 49 8.734 -1.171 34.590 1.00 17.32 C ATOM 392 OD1 ASP A 49 7.917 -0.700 33.816 1.00 17.73 O ATOM 393 OD2 ASP A 49 9.576 -0.443 35.138 1.00 20.77 O ATOM 0 H ASP A 49 7.119 -2.961 32.725 1.00 15.65 H new ATOM 0 HA ASP A 49 7.351 -4.157 35.161 1.00 13.70 H new ATOM 0 HB2 ASP A 49 8.964 -2.768 35.888 1.00 15.79 H new ATOM 0 HB3 ASP A 49 9.425 -3.117 34.440 1.00 15.79 H new ATOM 394 N ARG A 50 5.207 -2.282 34.444 1.00 12.20 N ATOM 395 CA ARG A 50 3.999 -1.562 34.811 1.00 14.03 C ATOM 396 C ARG A 50 4.207 -0.065 35.102 1.00 13.17 C ATOM 397 O ARG A 50 3.362 0.533 35.820 1.00 14.87 O ATOM 398 CB ARG A 50 3.321 -2.278 36.004 1.00 15.81 C ATOM 399 CG ARG A 50 2.946 -3.742 35.614 1.00 20.56 C ATOM 400 CD ARG A 50 2.230 -4.373 36.749 1.00 21.79 C ATOM 401 NE ARG A 50 1.498 -5.546 36.432 1.00 26.76 N ATOM 402 CZ ARG A 50 0.539 -6.028 35.667 1.00 27.44 C ATOM 403 NH1 ARG A 50 -0.131 -5.339 34.745 1.00 28.52 N ATOM 404 NH2 ARG A 50 0.185 -7.310 35.854 1.00 27.08 N ATOM 0 H ARG A 50 5.190 -2.568 33.633 1.00 12.20 H new ATOM 0 HA ARG A 50 3.419 -1.578 34.034 1.00 14.03 H new ATOM 0 HB2 ARG A 50 3.918 -2.283 36.768 1.00 15.81 H new ATOM 0 HB3 ARG A 50 2.524 -1.793 36.270 1.00 15.81 H new ATOM 0 HG2 ARG A 50 2.387 -3.745 34.821 1.00 20.56 H new ATOM 0 HG3 ARG A 50 3.746 -4.247 35.399 1.00 20.56 H new ATOM 0 HD2 ARG A 50 2.877 -4.590 37.438 1.00 21.79 H new ATOM 0 HD3 ARG A 50 1.619 -3.722 37.128 1.00 21.79 H new ATOM 0 HE ARG A 50 1.791 -6.185 36.927 1.00 26.76 H new ATOM 0 HH11 ARG A 50 0.051 -4.509 34.612 1.00 28.52 H new ATOM 0 HH12 ARG A 50 -0.746 -5.724 34.283 1.00 28.52 H new ATOM 0 HH21 ARG A 50 0.580 -7.782 36.454 1.00 27.08 H new ATOM 0 HH22 ARG A 50 -0.437 -7.659 35.373 1.00 27.08 H new ATOM 405 N SER A 51 5.265 0.503 34.545 1.00 11.41 N ATOM 406 CA SER A 51 5.479 1.990 34.759 1.00 10.56 C ATOM 407 C SER A 51 5.058 2.648 33.445 1.00 11.52 C ATOM 408 O SER A 51 4.866 1.936 32.447 1.00 11.18 O ATOM 409 CB SER A 51 6.959 2.229 35.061 1.00 9.95 C ATOM 410 OG SER A 51 7.746 1.860 33.902 1.00 10.64 O ATOM 0 H SER A 51 5.855 0.102 34.064 1.00 11.41 H new ATOM 0 HA SER A 51 4.970 2.353 35.501 1.00 10.56 H new ATOM 0 HB2 SER A 51 7.109 3.161 35.284 1.00 9.95 H new ATOM 0 HB3 SER A 51 7.232 1.706 35.831 1.00 9.95 H new ATOM 0 HG SER A 51 7.709 1.028 33.791 1.00 10.64 H new ATOM 411 N THR A 52 4.962 3.991 33.457 1.00 11.08 N ATOM 412 CA THR A 52 4.639 4.787 32.271 1.00 10.26 C ATOM 413 C THR A 52 5.619 5.981 32.203 1.00 9.38 C ATOM 414 O THR A 52 6.029 6.586 33.203 1.00 7.79 O ATOM 415 CB THR A 52 3.153 5.327 32.308 1.00 12.14 C ATOM 416 OG1 THR A 52 2.269 4.162 32.451 1.00 13.96 O ATOM 417 CG2 THR A 52 2.710 6.160 31.089 1.00 11.10 C ATOM 0 H THR A 52 5.085 4.463 34.165 1.00 11.08 H new ATOM 0 HA THR A 52 4.724 4.221 31.488 1.00 10.26 H new ATOM 0 HB THR A 52 3.100 5.945 33.054 1.00 12.14 H new ATOM 0 HG1 THR A 52 2.191 3.968 33.264 1.00 13.96 H new ATOM 0 HG21 THR A 52 1.790 6.442 31.207 1.00 11.10 H new ATOM 0 HG22 THR A 52 3.279 6.941 31.006 1.00 11.10 H new ATOM 0 HG23 THR A 52 2.782 5.621 30.285 1.00 11.10 H new ATOM 418 N ASP A 53 5.966 6.283 30.974 1.00 9.31 N ATOM 419 CA ASP A 53 6.849 7.401 30.600 1.00 9.42 C ATOM 420 C ASP A 53 5.917 8.550 30.129 1.00 8.72 C ATOM 421 O ASP A 53 5.064 8.335 29.269 1.00 9.00 O ATOM 422 CB ASP A 53 7.772 7.032 29.462 1.00 12.40 C ATOM 423 CG ASP A 53 8.714 5.868 29.860 1.00 12.96 C ATOM 424 OD1 ASP A 53 9.162 5.860 30.986 1.00 12.38 O ATOM 425 OD2 ASP A 53 8.941 5.092 28.916 1.00 16.13 O ATOM 0 H ASP A 53 5.690 5.833 30.295 1.00 9.31 H new ATOM 0 HA ASP A 53 7.404 7.649 31.356 1.00 9.42 H new ATOM 0 HB2 ASP A 53 7.248 6.777 28.687 1.00 12.40 H new ATOM 0 HB3 ASP A 53 8.299 7.805 29.206 1.00 12.40 H new ATOM 426 N TYR A 54 6.161 9.735 30.728 1.00 8.97 N ATOM 427 CA TYR A 54 5.293 10.870 30.402 1.00 8.10 C ATOM 428 C TYR A 54 5.960 12.140 29.853 1.00 8.68 C ATOM 429 O TYR A 54 6.965 12.606 30.395 1.00 9.26 O ATOM 430 CB TYR A 54 4.630 11.318 31.728 1.00 8.19 C ATOM 431 CG TYR A 54 3.646 10.349 32.343 1.00 7.29 C ATOM 432 CD1 TYR A 54 2.286 10.390 32.012 1.00 9.02 C ATOM 433 CD2 TYR A 54 4.070 9.388 33.270 1.00 8.65 C ATOM 434 CE1 TYR A 54 1.368 9.498 32.572 1.00 9.55 C ATOM 435 CE2 TYR A 54 3.184 8.483 33.866 1.00 8.05 C ATOM 436 CZ TYR A 54 1.836 8.548 33.502 1.00 10.34 C ATOM 437 OH TYR A 54 0.966 7.642 34.093 1.00 11.83 O ATOM 0 H TYR A 54 6.789 9.891 31.294 1.00 8.97 H new ATOM 0 HA TYR A 54 4.711 10.538 29.701 1.00 8.10 H new ATOM 0 HB2 TYR A 54 5.331 11.493 32.375 1.00 8.19 H new ATOM 0 HB3 TYR A 54 4.172 12.159 31.571 1.00 8.19 H new ATOM 0 HD1 TYR A 54 1.986 11.027 31.404 1.00 9.02 H new ATOM 0 HD2 TYR A 54 4.971 9.350 33.497 1.00 8.65 H new ATOM 0 HE1 TYR A 54 0.469 9.530 32.337 1.00 9.55 H new ATOM 0 HE2 TYR A 54 3.483 7.857 34.486 1.00 8.05 H new ATOM 0 HH TYR A 54 1.369 7.220 34.697 1.00 11.83 H new ATOM 438 N GLY A 55 5.263 12.689 28.855 1.00 10.02 N ATOM 439 CA GLY A 55 5.655 13.993 28.297 1.00 8.76 C ATOM 440 C GLY A 55 6.771 14.094 27.356 1.00 8.65 C ATOM 441 O GLY A 55 7.276 13.091 26.783 1.00 8.16 O ATOM 0 H GLY A 55 4.571 12.332 28.490 1.00 10.02 H new ATOM 0 HA2 GLY A 55 4.874 14.362 27.855 1.00 8.76 H new ATOM 0 HA3 GLY A 55 5.859 14.575 29.046 1.00 8.76 H new ATOM 442 N ILE A 56 7.201 15.372 27.193 1.00 7.23 N ATOM 443 CA ILE A 56 8.290 15.651 26.216 1.00 7.98 C ATOM 444 C ILE A 56 9.608 14.943 26.496 1.00 7.55 C ATOM 445 O ILE A 56 10.343 14.667 25.501 1.00 8.12 O ATOM 446 CB ILE A 56 8.454 17.220 26.107 1.00 8.67 C ATOM 447 CG1 ILE A 56 9.206 17.568 24.793 1.00 10.17 C ATOM 448 CG2 ILE A 56 9.075 17.806 27.395 1.00 9.24 C ATOM 449 CD1 ILE A 56 8.823 19.030 24.344 1.00 13.06 C ATOM 0 H ILE A 56 6.894 16.057 27.614 1.00 7.23 H new ATOM 0 HA ILE A 56 8.026 15.275 25.362 1.00 7.98 H new ATOM 0 HB ILE A 56 7.587 17.651 26.044 1.00 8.67 H new ATOM 0 HG12 ILE A 56 10.164 17.501 24.929 1.00 10.17 H new ATOM 0 HG13 ILE A 56 8.973 16.933 24.097 1.00 10.17 H new ATOM 0 HG21 ILE A 56 9.165 18.767 27.303 1.00 9.24 H new ATOM 0 HG22 ILE A 56 8.501 17.606 28.151 1.00 9.24 H new ATOM 0 HG23 ILE A 56 9.950 17.413 27.541 1.00 9.24 H new ATOM 0 HD11 ILE A 56 9.291 19.250 23.524 1.00 13.06 H new ATOM 0 HD12 ILE A 56 7.866 19.082 24.194 1.00 13.06 H new ATOM 0 HD13 ILE A 56 9.076 19.659 25.038 1.00 13.06 H new ATOM 450 N PHE A 57 9.868 14.734 27.776 1.00 6.76 N ATOM 451 CA PHE A 57 11.150 14.076 28.118 1.00 9.44 C ATOM 452 C PHE A 57 10.927 12.593 28.529 1.00 9.51 C ATOM 453 O PHE A 57 11.939 11.977 28.980 1.00 9.32 O ATOM 454 CB PHE A 57 11.927 14.764 29.222 1.00 10.65 C ATOM 455 CG PHE A 57 12.373 16.167 28.896 1.00 14.11 C ATOM 456 CD1 PHE A 57 11.829 17.232 29.625 1.00 15.29 C ATOM 457 CD2 PHE A 57 13.301 16.395 27.884 1.00 13.91 C ATOM 458 CE1 PHE A 57 12.204 18.539 29.359 1.00 15.69 C ATOM 459 CE2 PHE A 57 13.711 17.713 27.616 1.00 16.31 C ATOM 460 CZ PHE A 57 13.153 18.776 28.347 1.00 15.49 C ATOM 0 H PHE A 57 9.359 14.945 28.437 1.00 6.76 H new ATOM 0 HA PHE A 57 11.678 14.135 27.307 1.00 9.44 H new ATOM 0 HB2 PHE A 57 11.377 14.790 30.021 1.00 10.65 H new ATOM 0 HB3 PHE A 57 12.709 14.230 29.433 1.00 10.65 H new ATOM 0 HD1 PHE A 57 11.208 17.060 30.296 1.00 15.29 H new ATOM 0 HD2 PHE A 57 13.645 15.685 27.392 1.00 13.91 H new ATOM 0 HE1 PHE A 57 11.836 19.245 29.839 1.00 15.69 H new ATOM 0 HE2 PHE A 57 14.348 17.880 26.959 1.00 16.31 H new ATOM 0 HZ PHE A 57 13.415 19.648 28.159 1.00 15.49 H new ATOM 461 N GLN A 58 9.704 12.134 28.362 1.00 7.97 N ATOM 462 CA GLN A 58 9.369 10.713 28.708 1.00 8.86 C ATOM 463 C GLN A 58 9.916 10.365 30.092 1.00 9.18 C ATOM 464 O GLN A 58 10.715 9.420 30.296 1.00 9.49 O ATOM 465 CB GLN A 58 9.875 9.769 27.639 1.00 8.49 C ATOM 466 CG GLN A 58 9.126 9.874 26.308 1.00 9.65 C ATOM 467 CD GLN A 58 7.709 9.376 26.446 1.00 12.69 C ATOM 468 OE1 GLN A 58 7.491 8.154 26.213 1.00 13.27 O ATOM 469 NE2 GLN A 58 6.715 10.195 26.814 1.00 11.77 N ATOM 0 H GLN A 58 9.047 12.598 28.057 1.00 7.97 H new ATOM 0 HA GLN A 58 8.405 10.612 28.741 1.00 8.86 H new ATOM 0 HB2 GLN A 58 10.816 9.945 27.484 1.00 8.49 H new ATOM 0 HB3 GLN A 58 9.807 8.858 27.966 1.00 8.49 H new ATOM 0 HG2 GLN A 58 9.121 10.796 26.008 1.00 9.65 H new ATOM 0 HG3 GLN A 58 9.590 9.358 25.630 1.00 9.65 H new ATOM 0 HE21 GLN A 58 6.877 11.025 26.970 1.00 11.77 H new ATOM 0 HE22 GLN A 58 5.915 9.891 26.895 1.00 11.77 H new ATOM 470 N ILE A 59 9.472 11.074 31.084 1.00 8.35 N ATOM 471 CA ILE A 59 9.889 10.864 32.480 1.00 9.15 C ATOM 472 C ILE A 59 9.100 9.689 33.082 1.00 8.74 C ATOM 473 O ILE A 59 7.886 9.657 32.982 1.00 8.28 O ATOM 474 CB ILE A 59 9.724 12.230 33.235 1.00 10.17 C ATOM 475 CG1 ILE A 59 10.804 13.202 32.682 1.00 10.88 C ATOM 476 CG2 ILE A 59 9.907 12.064 34.778 1.00 11.20 C ATOM 477 CD1 ILE A 59 10.703 14.655 33.211 1.00 11.33 C ATOM 0 H ILE A 59 8.905 11.713 30.987 1.00 8.35 H new ATOM 0 HA ILE A 59 10.821 10.607 32.558 1.00 9.15 H new ATOM 0 HB ILE A 59 8.829 12.573 33.088 1.00 10.17 H new ATOM 0 HG12 ILE A 59 11.681 12.851 32.903 1.00 10.88 H new ATOM 0 HG13 ILE A 59 10.741 13.218 31.714 1.00 10.88 H new ATOM 0 HG21 ILE A 59 9.799 12.925 35.211 1.00 11.20 H new ATOM 0 HG22 ILE A 59 9.242 11.445 35.118 1.00 11.20 H new ATOM 0 HG23 ILE A 59 10.794 11.718 34.964 1.00 11.20 H new ATOM 0 HD11 ILE A 59 11.409 15.192 32.819 1.00 11.33 H new ATOM 0 HD12 ILE A 59 9.841 15.028 32.969 1.00 11.33 H new ATOM 0 HD13 ILE A 59 10.795 14.655 34.177 1.00 11.33 H new ATOM 478 N ASN A 60 9.800 8.795 33.738 1.00 9.84 N ATOM 479 CA ASN A 60 9.227 7.568 34.321 1.00 10.59 C ATOM 480 C ASN A 60 8.580 7.670 35.681 1.00 10.18 C ATOM 481 O ASN A 60 9.133 8.211 36.651 1.00 11.04 O ATOM 482 CB ASN A 60 10.263 6.436 34.228 1.00 12.66 C ATOM 483 CG ASN A 60 9.616 5.053 34.424 1.00 12.15 C ATOM 484 OD1 ASN A 60 9.709 4.529 35.525 1.00 13.86 O ATOM 485 ND2 ASN A 60 9.059 4.513 33.352 1.00 12.59 N ATOM 0 H ASN A 60 10.646 8.871 33.869 1.00 9.84 H new ATOM 0 HA ASN A 60 8.450 7.368 33.776 1.00 10.59 H new ATOM 0 HB2 ASN A 60 10.701 6.469 33.363 1.00 12.66 H new ATOM 0 HB3 ASN A 60 10.950 6.570 34.900 1.00 12.66 H new ATOM 0 HD21 ASN A 60 8.721 3.723 33.395 1.00 12.59 H new ATOM 0 HD22 ASN A 60 9.035 4.952 32.613 1.00 12.59 H new ATOM 486 N SER A 61 7.372 7.075 35.716 1.00 9.85 N ATOM 487 CA SER A 61 6.541 7.022 36.917 1.00 11.28 C ATOM 488 C SER A 61 7.121 6.173 38.036 1.00 11.97 C ATOM 489 O SER A 61 6.607 6.364 39.157 1.00 12.21 O ATOM 490 CB SER A 61 5.119 6.522 36.641 1.00 10.72 C ATOM 491 OG SER A 61 5.071 5.168 36.203 1.00 12.94 O ATOM 0 H SER A 61 7.017 6.691 35.033 1.00 9.85 H new ATOM 0 HA SER A 61 6.517 7.947 37.207 1.00 11.28 H new ATOM 0 HB2 SER A 61 4.589 6.613 37.448 1.00 10.72 H new ATOM 0 HB3 SER A 61 4.709 7.088 35.968 1.00 10.72 H new ATOM 0 HG SER A 61 4.543 4.734 36.691 1.00 12.94 H new ATOM 492 N ARG A 62 8.097 5.284 37.783 1.00 13.17 N ATOM 493 CA ARG A 62 8.598 4.498 38.935 1.00 14.42 C ATOM 494 C ARG A 62 9.326 5.381 39.946 1.00 15.82 C ATOM 495 O ARG A 62 9.274 5.114 41.159 1.00 15.76 O ATOM 496 CB ARG A 62 9.501 3.355 38.486 1.00 16.85 C ATOM 497 CG ARG A 62 10.045 2.489 39.652 1.00 19.94 C ATOM 498 CD ARG A 62 10.543 1.153 39.176 1.00 23.62 C ATOM 499 NE ARG A 62 9.491 0.359 38.485 1.00 25.55 N ATOM 500 CZ ARG A 62 8.421 -0.061 39.190 1.00 25.67 C ATOM 501 NH1 ARG A 62 8.333 0.092 40.513 1.00 25.90 N ATOM 502 NH2 ARG A 62 7.365 -0.541 38.526 1.00 25.11 N ATOM 0 H ARG A 62 8.460 5.126 37.019 1.00 13.17 H new ATOM 0 HA ARG A 62 7.820 4.116 39.371 1.00 14.42 H new ATOM 0 HB2 ARG A 62 9.008 2.786 37.875 1.00 16.85 H new ATOM 0 HB3 ARG A 62 10.250 3.722 37.990 1.00 16.85 H new ATOM 0 HG2 ARG A 62 10.766 2.962 40.096 1.00 19.94 H new ATOM 0 HG3 ARG A 62 9.344 2.357 40.310 1.00 19.94 H new ATOM 0 HD2 ARG A 62 11.290 1.287 38.572 1.00 23.62 H new ATOM 0 HD3 ARG A 62 10.878 0.648 39.934 1.00 23.62 H new ATOM 0 HE ARG A 62 9.564 0.171 37.649 1.00 25.55 H new ATOM 0 HH11 ARG A 62 8.973 0.470 40.946 1.00 25.90 H new ATOM 0 HH12 ARG A 62 7.636 -0.187 40.933 1.00 25.90 H new ATOM 0 HH21 ARG A 62 7.377 -0.577 37.667 1.00 25.11 H new ATOM 0 HH22 ARG A 62 6.673 -0.814 38.958 1.00 25.11 H new ATOM 503 N TYR A 63 10.024 6.430 39.453 1.00 15.81 N ATOM 504 CA TYR A 63 10.789 7.266 40.360 1.00 16.02 C ATOM 505 C TYR A 63 10.472 8.745 40.477 1.00 15.15 C ATOM 506 O TYR A 63 10.725 9.291 41.545 1.00 14.89 O ATOM 507 CB TYR A 63 12.299 7.260 39.897 1.00 20.85 C ATOM 508 CG TYR A 63 12.791 5.870 39.573 1.00 24.95 C ATOM 509 CD1 TYR A 63 12.876 5.444 38.248 1.00 25.74 C ATOM 510 CD2 TYR A 63 13.091 4.970 40.603 1.00 26.76 C ATOM 511 CE1 TYR A 63 13.294 4.150 37.951 1.00 28.46 C ATOM 512 CE2 TYR A 63 13.522 3.666 40.312 1.00 28.03 C ATOM 513 CZ TYR A 63 13.610 3.284 38.994 1.00 28.32 C ATOM 514 OH TYR A 63 14.015 2.013 38.700 1.00 32.81 O ATOM 0 H TYR A 63 10.058 6.656 38.624 1.00 15.81 H new ATOM 0 HA TYR A 63 10.565 6.865 41.214 1.00 16.02 H new ATOM 0 HB2 TYR A 63 12.398 7.827 39.116 1.00 20.85 H new ATOM 0 HB3 TYR A 63 12.852 7.642 40.597 1.00 20.85 H new ATOM 0 HD1 TYR A 63 12.652 6.027 37.559 1.00 25.74 H new ATOM 0 HD2 TYR A 63 13.004 5.239 41.489 1.00 26.76 H new ATOM 0 HE1 TYR A 63 13.361 3.868 37.067 1.00 28.46 H new ATOM 0 HE2 TYR A 63 13.743 3.074 40.995 1.00 28.03 H new ATOM 0 HH TYR A 63 14.174 1.598 39.413 1.00 32.81 H new ATOM 515 N TRP A 64 9.979 9.322 39.392 1.00 13.72 N ATOM 516 CA TRP A 64 9.800 10.764 39.324 1.00 12.87 C ATOM 517 C TRP A 64 8.480 11.429 39.493 1.00 12.73 C ATOM 518 O TRP A 64 8.490 12.596 39.981 1.00 13.16 O ATOM 519 CB TRP A 64 10.441 11.162 37.949 1.00 10.64 C ATOM 520 CG TRP A 64 11.785 10.552 37.760 1.00 11.80 C ATOM 521 CD1 TRP A 64 12.113 9.531 36.902 1.00 13.39 C ATOM 522 CD2 TRP A 64 12.993 10.848 38.490 1.00 12.00 C ATOM 523 NE1 TRP A 64 13.437 9.185 37.044 1.00 13.09 N ATOM 524 CE2 TRP A 64 14.000 10.015 37.984 1.00 12.94 C ATOM 525 CE3 TRP A 64 13.277 11.766 39.498 1.00 10.84 C ATOM 526 CZ2 TRP A 64 15.311 10.055 38.466 1.00 12.41 C ATOM 527 CZ3 TRP A 64 14.580 11.830 39.981 1.00 13.17 C ATOM 528 CH2 TRP A 64 15.571 10.964 39.491 1.00 12.97 C ATOM 0 H TRP A 64 9.741 8.897 38.683 1.00 13.72 H new ATOM 0 HA TRP A 64 10.205 11.095 40.141 1.00 12.87 H new ATOM 0 HB2 TRP A 64 9.856 10.882 37.228 1.00 10.64 H new ATOM 0 HB3 TRP A 64 10.515 12.128 37.896 1.00 10.64 H new ATOM 0 HD1 TRP A 64 11.522 9.129 36.307 1.00 13.39 H new ATOM 0 HE1 TRP A 64 13.843 8.558 36.618 1.00 13.09 H new ATOM 0 HE3 TRP A 64 12.613 12.321 39.839 1.00 10.84 H new ATOM 0 HZ2 TRP A 64 15.976 9.504 38.121 1.00 12.41 H new ATOM 0 HZ3 TRP A 64 14.797 12.453 40.636 1.00 13.17 H new ATOM 0 HH2 TRP A 64 16.424 10.998 39.860 1.00 12.97 H new ATOM 529 N CYS A 65 7.386 10.814 39.098 1.00 11.78 N ATOM 530 CA CYS A 65 6.080 11.518 39.283 1.00 11.27 C ATOM 531 C CYS A 65 5.122 10.457 39.813 1.00 11.34 C ATOM 532 O CYS A 65 5.446 9.277 39.607 1.00 12.82 O ATOM 533 CB CYS A 65 5.666 12.113 37.946 1.00 9.32 C ATOM 534 SG CYS A 65 5.386 10.924 36.626 1.00 10.35 S ATOM 0 H CYS A 65 7.349 10.034 38.738 1.00 11.78 H new ATOM 0 HA CYS A 65 6.106 12.259 39.909 1.00 11.27 H new ATOM 0 HB2 CYS A 65 4.854 12.627 38.076 1.00 9.32 H new ATOM 0 HB3 CYS A 65 6.353 12.735 37.660 1.00 9.32 H new ATOM 535 N ASN A 66 4.047 10.877 40.417 1.00 10.92 N ATOM 536 CA ASN A 66 3.044 9.928 40.925 1.00 10.95 C ATOM 537 C ASN A 66 1.888 9.748 39.955 1.00 9.85 C ATOM 538 O ASN A 66 1.226 10.741 39.615 1.00 8.42 O ATOM 539 CB ASN A 66 2.547 10.349 42.319 1.00 12.13 C ATOM 540 CG ASN A 66 1.562 9.290 42.852 1.00 14.35 C ATOM 541 OD1 ASN A 66 1.855 8.080 42.734 1.00 13.41 O ATOM 542 ND2 ASN A 66 0.444 9.806 43.342 1.00 12.23 N ATOM 0 H ASN A 66 3.860 11.705 40.553 1.00 10.92 H new ATOM 0 HA ASN A 66 3.478 9.064 41.009 1.00 10.95 H new ATOM 0 HB2 ASN A 66 3.297 10.442 42.927 1.00 12.13 H new ATOM 0 HB3 ASN A 66 2.112 11.215 42.271 1.00 12.13 H new ATOM 0 HD21 ASN A 66 -0.181 9.287 43.624 1.00 12.23 H new ATOM 0 HD22 ASN A 66 0.344 10.659 43.378 1.00 12.23 H new ATOM 543 N ASP A 67 1.620 8.490 39.565 1.00 9.37 N ATOM 544 CA ASP A 67 0.459 8.198 38.723 1.00 9.32 C ATOM 545 C ASP A 67 -0.451 7.233 39.517 1.00 10.21 C ATOM 546 O ASP A 67 -1.526 6.824 39.068 1.00 10.25 O ATOM 547 CB ASP A 67 0.756 7.810 37.305 1.00 10.33 C ATOM 548 CG ASP A 67 1.435 6.452 37.177 1.00 10.06 C ATOM 549 OD1 ASP A 67 1.710 5.818 38.214 1.00 11.70 O ATOM 550 OD2 ASP A 67 1.673 6.137 36.019 1.00 10.44 O ATOM 0 H ASP A 67 2.094 7.804 39.777 1.00 9.37 H new ATOM 0 HA ASP A 67 -0.025 9.020 38.550 1.00 9.32 H new ATOM 0 HB2 ASP A 67 -0.072 7.799 36.800 1.00 10.33 H new ATOM 0 HB3 ASP A 67 1.324 8.487 36.904 1.00 10.33 H new ATOM 551 N GLY A 68 -0.046 6.881 40.732 1.00 11.03 N ATOM 552 CA GLY A 68 -0.823 6.005 41.594 1.00 13.46 C ATOM 553 C GLY A 68 -0.895 4.540 41.237 1.00 13.92 C ATOM 554 O GLY A 68 -0.976 3.714 42.182 1.00 15.28 O ATOM 0 H GLY A 68 0.694 7.147 41.081 1.00 11.03 H new ATOM 0 HA2 GLY A 68 -0.462 6.075 42.491 1.00 13.46 H new ATOM 0 HA3 GLY A 68 -1.730 6.348 41.626 1.00 13.46 H new ATOM 555 N LYS A 69 -0.781 4.202 39.972 1.00 13.84 N ATOM 556 CA LYS A 69 -0.890 2.815 39.518 1.00 13.86 C ATOM 557 C LYS A 69 0.454 2.144 39.291 1.00 14.45 C ATOM 558 O LYS A 69 0.442 0.969 38.838 1.00 15.20 O ATOM 559 CB LYS A 69 -1.810 2.720 38.314 1.00 12.82 C ATOM 560 CG LYS A 69 -1.191 3.306 37.046 1.00 11.98 C ATOM 561 CD LYS A 69 -2.079 3.173 35.837 1.00 14.14 C ATOM 562 CE LYS A 69 -1.434 3.948 34.709 1.00 16.76 C ATOM 563 NZ LYS A 69 -2.313 4.138 33.540 1.00 20.95 N ATOM 0 H LYS A 69 -0.637 4.767 39.340 1.00 13.84 H new ATOM 0 HA LYS A 69 -1.293 2.308 40.240 1.00 13.86 H new ATOM 0 HB2 LYS A 69 -2.036 1.790 38.158 1.00 12.82 H new ATOM 0 HB3 LYS A 69 -2.639 3.185 38.508 1.00 12.82 H new ATOM 0 HG2 LYS A 69 -0.993 4.244 37.193 1.00 11.98 H new ATOM 0 HG3 LYS A 69 -0.347 2.862 36.870 1.00 11.98 H new ATOM 0 HD2 LYS A 69 -2.185 2.240 35.593 1.00 14.14 H new ATOM 0 HD3 LYS A 69 -2.965 3.519 36.025 1.00 14.14 H new ATOM 0 HE2 LYS A 69 -1.158 4.817 35.041 1.00 16.76 H new ATOM 0 HE3 LYS A 69 -0.630 3.484 34.427 1.00 16.76 H new ATOM 0 HZ1 LYS A 69 -2.075 4.878 33.106 1.00 20.95 H new ATOM 0 HZ2 LYS A 69 -2.238 3.438 32.995 1.00 20.95 H new ATOM 0 HZ3 LYS A 69 -3.157 4.213 33.812 1.00 20.95 H new ATOM 564 N THR A 70 1.566 2.761 39.587 1.00 11.96 N ATOM 565 CA THR A 70 2.849 2.059 39.405 1.00 14.29 C ATOM 566 C THR A 70 3.252 1.432 40.723 1.00 14.61 C ATOM 567 O THR A 70 3.369 2.135 41.749 1.00 15.45 O ATOM 568 CB THR A 70 3.981 3.087 38.946 1.00 14.08 C ATOM 569 OG1 THR A 70 3.413 3.753 37.778 1.00 12.76 O ATOM 570 CG2 THR A 70 5.315 2.372 38.716 1.00 14.17 C ATOM 0 H THR A 70 1.622 3.565 39.888 1.00 11.96 H new ATOM 0 HA THR A 70 2.748 1.377 38.723 1.00 14.29 H new ATOM 0 HB THR A 70 4.210 3.749 39.617 1.00 14.08 H new ATOM 0 HG1 THR A 70 2.903 4.372 38.028 1.00 12.76 H new ATOM 0 HG21 THR A 70 5.984 3.017 38.439 1.00 14.17 H new ATOM 0 HG22 THR A 70 5.600 1.945 39.539 1.00 14.17 H new ATOM 0 HG23 THR A 70 5.207 1.700 38.024 1.00 14.17 H new ATOM 571 N PRO A 71 3.481 0.130 40.748 1.00 16.15 N ATOM 572 CA PRO A 71 3.884 -0.517 42.015 1.00 16.55 C ATOM 573 C PRO A 71 5.285 -0.133 42.454 1.00 16.73 C ATOM 574 O PRO A 71 6.222 -0.019 41.651 1.00 17.60 O ATOM 575 CB PRO A 71 3.794 -2.017 41.743 1.00 16.71 C ATOM 576 CG PRO A 71 3.491 -2.187 40.286 1.00 17.91 C ATOM 577 CD PRO A 71 3.371 -0.799 39.622 1.00 17.25 C ATOM 0 HA PRO A 71 3.308 -0.233 42.742 1.00 16.55 H new ATOM 0 HB2 PRO A 71 4.627 -2.457 41.973 1.00 16.71 H new ATOM 0 HB3 PRO A 71 3.100 -2.422 42.286 1.00 16.71 H new ATOM 0 HG2 PRO A 71 4.192 -2.702 39.857 1.00 17.91 H new ATOM 0 HG3 PRO A 71 2.665 -2.683 40.173 1.00 17.91 H new ATOM 0 HD2 PRO A 71 4.074 -0.654 38.969 1.00 17.25 H new ATOM 0 HD3 PRO A 71 2.526 -0.698 39.157 1.00 17.25 H new ATOM 578 N GLY A 72 5.425 0.025 43.750 1.00 17.54 N ATOM 579 CA GLY A 72 6.637 0.338 44.477 1.00 18.99 C ATOM 580 C GLY A 72 7.334 1.569 43.930 1.00 19.75 C ATOM 581 O GLY A 72 8.563 1.665 43.864 1.00 21.79 O ATOM 0 H GLY A 72 4.752 -0.055 44.279 1.00 17.54 H new ATOM 0 HA2 GLY A 72 6.423 0.479 45.413 1.00 18.99 H new ATOM 0 HA3 GLY A 72 7.242 -0.419 44.435 1.00 18.99 H new ATOM 582 N ALA A 73 6.531 2.542 43.532 1.00 19.24 N ATOM 583 CA ALA A 73 7.119 3.763 42.936 1.00 18.56 C ATOM 584 C ALA A 73 7.300 4.866 43.962 1.00 17.92 C ATOM 585 O ALA A 73 6.712 4.845 45.062 1.00 17.93 O ATOM 586 CB ALA A 73 6.172 4.141 41.788 1.00 19.02 C ATOM 0 H ALA A 73 5.673 2.532 43.589 1.00 19.24 H new ATOM 0 HA ALA A 73 8.018 3.614 42.603 1.00 18.56 H new ATOM 0 HB1 ALA A 73 6.500 4.941 41.348 1.00 19.02 H new ATOM 0 HB2 ALA A 73 6.133 3.413 41.148 1.00 19.02 H new ATOM 0 HB3 ALA A 73 5.284 4.308 42.142 1.00 19.02 H new ATOM 587 N VAL A 74 8.168 5.802 43.572 1.00 16.27 N ATOM 588 CA VAL A 74 8.407 7.007 44.372 1.00 15.80 C ATOM 589 C VAL A 74 8.086 8.207 43.426 1.00 14.21 C ATOM 590 O VAL A 74 7.851 8.020 42.226 1.00 13.12 O ATOM 591 CB VAL A 74 9.737 7.102 45.102 1.00 15.39 C ATOM 592 CG1 VAL A 74 9.756 6.064 46.247 1.00 17.55 C ATOM 593 CG2 VAL A 74 10.919 6.950 44.171 1.00 16.15 C ATOM 0 H VAL A 74 8.629 5.759 42.847 1.00 16.27 H new ATOM 0 HA VAL A 74 7.823 6.997 45.146 1.00 15.80 H new ATOM 0 HB VAL A 74 9.823 7.991 45.480 1.00 15.39 H new ATOM 0 HG11 VAL A 74 10.602 6.118 46.719 1.00 17.55 H new ATOM 0 HG12 VAL A 74 9.030 6.249 46.864 1.00 17.55 H new ATOM 0 HG13 VAL A 74 9.648 5.173 45.878 1.00 17.55 H new ATOM 0 HG21 VAL A 74 11.742 7.017 44.679 1.00 16.15 H new ATOM 0 HG22 VAL A 74 10.879 6.084 43.735 1.00 16.15 H new ATOM 0 HG23 VAL A 74 10.895 7.651 43.501 1.00 16.15 H new ATOM 594 N ASN A 75 8.097 9.366 44.032 1.00 13.59 N ATOM 595 CA ASN A 75 7.765 10.623 43.314 1.00 14.27 C ATOM 596 C ASN A 75 8.796 11.702 43.646 1.00 14.14 C ATOM 597 O ASN A 75 8.477 12.694 44.330 1.00 15.24 O ATOM 598 CB ASN A 75 6.312 10.925 43.766 1.00 13.34 C ATOM 599 CG ASN A 75 5.798 12.249 43.246 1.00 12.91 C ATOM 600 OD1 ASN A 75 6.433 12.825 42.342 1.00 15.32 O ATOM 601 ND2 ASN A 75 4.700 12.754 43.804 1.00 14.40 N ATOM 0 H ASN A 75 8.292 9.472 44.863 1.00 13.59 H new ATOM 0 HA ASN A 75 7.803 10.570 42.346 1.00 14.27 H new ATOM 0 HB2 ASN A 75 5.728 10.214 43.460 1.00 13.34 H new ATOM 0 HB3 ASN A 75 6.273 10.926 44.735 1.00 13.34 H new ATOM 0 HD21 ASN A 75 4.396 13.515 43.543 1.00 14.40 H new ATOM 0 HD22 ASN A 75 4.295 12.319 44.426 1.00 14.40 H new ATOM 602 N ALA A 76 10.002 11.504 43.182 1.00 14.45 N ATOM 603 CA ALA A 76 11.129 12.404 43.443 1.00 14.81 C ATOM 604 C ALA A 76 10.864 13.831 42.999 1.00 15.80 C ATOM 605 O ALA A 76 11.370 14.761 43.688 1.00 15.43 O ATOM 606 CB ALA A 76 12.452 11.828 42.973 1.00 13.03 C ATOM 0 H ALA A 76 10.209 10.829 42.692 1.00 14.45 H new ATOM 0 HA ALA A 76 11.218 12.470 44.407 1.00 14.81 H new ATOM 0 HB1 ALA A 76 13.165 12.456 43.166 1.00 13.03 H new ATOM 0 HB2 ALA A 76 12.624 10.992 43.435 1.00 13.03 H new ATOM 0 HB3 ALA A 76 12.414 11.667 42.017 1.00 13.03 H new ATOM 607 N CYS A 77 10.109 14.054 41.927 1.00 15.56 N ATOM 608 CA CYS A 77 9.839 15.439 41.496 1.00 14.87 C ATOM 609 C CYS A 77 8.684 16.031 42.295 1.00 15.33 C ATOM 610 O CYS A 77 8.410 17.236 42.115 1.00 14.71 O ATOM 611 CB CYS A 77 9.558 15.502 39.997 1.00 12.89 C ATOM 612 SG CYS A 77 11.015 15.089 38.983 1.00 12.24 S ATOM 0 H CYS A 77 9.749 13.441 41.442 1.00 15.56 H new ATOM 0 HA CYS A 77 10.632 15.971 41.669 1.00 14.87 H new ATOM 0 HB2 CYS A 77 8.836 14.890 39.782 1.00 12.89 H new ATOM 0 HB3 CYS A 77 9.252 16.393 39.767 1.00 12.89 H new ATOM 613 N HIS A 78 8.022 15.240 43.111 1.00 14.95 N ATOM 614 CA HIS A 78 6.877 15.751 43.865 1.00 16.95 C ATOM 615 C HIS A 78 5.804 16.340 42.960 1.00 16.35 C ATOM 616 O HIS A 78 5.319 17.471 43.176 1.00 16.42 O ATOM 617 CB HIS A 78 7.291 16.891 44.882 1.00 21.76 C ATOM 618 CG HIS A 78 8.400 16.340 45.739 1.00 24.95 C ATOM 619 ND1 HIS A 78 9.615 16.973 45.936 1.00 26.83 N ATOM 620 CD2 HIS A 78 8.440 15.147 46.393 1.00 25.35 C ATOM 621 CE1 HIS A 78 10.350 16.196 46.720 1.00 27.32 C ATOM 622 NE2 HIS A 78 9.664 15.091 47.003 1.00 27.46 N ATOM 0 H HIS A 78 8.209 14.412 43.248 1.00 14.95 H new ATOM 0 HA HIS A 78 6.532 14.979 44.341 1.00 16.95 H new ATOM 0 HB2 HIS A 78 7.587 17.683 44.407 1.00 21.76 H new ATOM 0 HB3 HIS A 78 6.534 17.154 45.429 1.00 21.76 H new ATOM 0 HD2 HIS A 78 7.771 14.501 46.420 1.00 25.35 H new ATOM 0 HE1 HIS A 78 11.207 16.392 47.023 1.00 27.32 H new ATOM 0 HE2 HIS A 78 9.946 14.443 47.493 1.00 27.46 H new ATOM 623 N LEU A 79 5.388 15.597 41.951 1.00 15.27 N ATOM 624 CA LEU A 79 4.358 16.052 41.031 1.00 16.09 C ATOM 625 C LEU A 79 3.437 14.882 40.626 1.00 14.46 C ATOM 626 O LEU A 79 3.927 13.760 40.627 1.00 14.70 O ATOM 627 CB LEU A 79 5.015 16.377 39.651 1.00 17.68 C ATOM 628 CG LEU A 79 5.919 17.547 39.488 1.00 19.97 C ATOM 629 CD1 LEU A 79 6.363 17.668 38.018 1.00 18.79 C ATOM 630 CD2 LEU A 79 5.079 18.790 39.858 1.00 20.92 C ATOM 0 H LEU A 79 5.694 14.812 41.778 1.00 15.27 H new ATOM 0 HA LEU A 79 3.904 16.789 41.469 1.00 16.09 H new ATOM 0 HB2 LEU A 79 5.517 15.591 39.383 1.00 17.68 H new ATOM 0 HB3 LEU A 79 4.294 16.484 39.011 1.00 17.68 H new ATOM 0 HG LEU A 79 6.710 17.459 40.043 1.00 19.97 H new ATOM 0 HD11 LEU A 79 6.952 18.433 37.919 1.00 18.79 H new ATOM 0 HD12 LEU A 79 6.834 16.862 37.755 1.00 18.79 H new ATOM 0 HD13 LEU A 79 5.583 17.786 37.453 1.00 18.79 H new ATOM 0 HD21 LEU A 79 5.624 19.587 39.768 1.00 20.92 H new ATOM 0 HD22 LEU A 79 4.315 18.853 39.264 1.00 20.92 H new ATOM 0 HD23 LEU A 79 4.770 18.711 40.774 1.00 20.92 H new ATOM 631 N SER A 80 2.247 15.260 40.211 1.00 12.08 N ATOM 632 CA SER A 80 1.324 14.256 39.646 1.00 10.90 C ATOM 633 C SER A 80 1.936 14.051 38.252 1.00 11.46 C ATOM 634 O SER A 80 2.455 15.002 37.620 1.00 10.91 O ATOM 635 CB SER A 80 -0.060 14.871 39.482 1.00 10.20 C ATOM 636 OG SER A 80 -0.830 14.090 38.590 1.00 11.49 O ATOM 0 H SER A 80 1.946 16.065 40.239 1.00 12.08 H new ATOM 0 HA SER A 80 1.227 13.453 40.181 1.00 10.90 H new ATOM 0 HB2 SER A 80 -0.503 14.924 40.343 1.00 10.20 H new ATOM 0 HB3 SER A 80 0.018 15.778 39.146 1.00 10.20 H new ATOM 0 HG SER A 80 -1.592 14.432 38.504 1.00 11.49 H new ATOM 637 N CYS A 81 1.883 12.846 37.710 1.00 11.09 N ATOM 638 CA CYS A 81 2.383 12.606 36.348 1.00 8.59 C ATOM 639 C CYS A 81 1.552 13.444 35.381 1.00 8.31 C ATOM 640 O CYS A 81 2.068 13.758 34.287 1.00 9.19 O ATOM 641 CB CYS A 81 2.327 11.107 36.015 1.00 8.79 C ATOM 642 SG CYS A 81 3.554 10.192 36.997 1.00 9.44 S ATOM 0 H CYS A 81 1.565 12.151 38.104 1.00 11.09 H new ATOM 0 HA CYS A 81 3.313 12.872 36.272 1.00 8.59 H new ATOM 0 HB2 CYS A 81 1.438 10.763 36.195 1.00 8.79 H new ATOM 0 HB3 CYS A 81 2.496 10.973 35.069 1.00 8.79 H new ATOM 643 N SER A 82 0.354 13.795 35.690 1.00 8.52 N ATOM 644 CA SER A 82 -0.536 14.612 34.855 1.00 9.61 C ATOM 645 C SER A 82 0.180 15.928 34.511 1.00 9.95 C ATOM 646 O SER A 82 0.040 16.424 33.370 1.00 9.96 O ATOM 647 CB SER A 82 -1.832 14.961 35.600 1.00 12.68 C ATOM 648 OG SER A 82 -2.687 15.762 34.755 1.00 16.48 O ATOM 0 H SER A 82 -0.011 13.563 36.433 1.00 8.52 H new ATOM 0 HA SER A 82 -0.755 14.105 34.057 1.00 9.61 H new ATOM 0 HB2 SER A 82 -2.293 14.148 35.861 1.00 12.68 H new ATOM 0 HB3 SER A 82 -1.625 15.445 36.415 1.00 12.68 H new ATOM 0 HG SER A 82 -2.490 16.574 34.846 1.00 16.48 H new ATOM 649 N ALA A 83 0.923 16.445 35.449 1.00 10.07 N ATOM 650 CA ALA A 83 1.656 17.697 35.268 1.00 10.78 C ATOM 651 C ALA A 83 2.623 17.689 34.097 1.00 12.67 C ATOM 652 O ALA A 83 2.980 18.768 33.545 1.00 14.01 O ATOM 653 CB ALA A 83 2.369 18.147 36.522 1.00 10.34 C ATOM 0 H ALA A 83 1.028 16.087 36.224 1.00 10.07 H new ATOM 0 HA ALA A 83 0.962 18.342 35.059 1.00 10.78 H new ATOM 0 HB1 ALA A 83 2.837 18.978 36.348 1.00 10.34 H new ATOM 0 HB2 ALA A 83 1.722 18.284 37.231 1.00 10.34 H new ATOM 0 HB3 ALA A 83 3.007 17.468 36.793 1.00 10.34 H new ATOM 654 N LEU A 84 3.079 16.521 33.723 1.00 12.25 N ATOM 655 CA LEU A 84 4.007 16.300 32.644 1.00 11.17 C ATOM 656 C LEU A 84 3.322 16.149 31.287 1.00 11.34 C ATOM 657 O LEU A 84 4.073 15.884 30.322 1.00 11.22 O ATOM 658 CB LEU A 84 4.906 15.096 32.992 1.00 10.66 C ATOM 659 CG LEU A 84 5.632 15.102 34.324 1.00 12.43 C ATOM 660 CD1 LEU A 84 6.508 13.848 34.473 1.00 13.14 C ATOM 661 CD2 LEU A 84 6.512 16.342 34.388 1.00 12.34 C ATOM 0 H LEU A 84 2.843 15.792 34.113 1.00 12.25 H new ATOM 0 HA LEU A 84 4.562 17.090 32.550 1.00 11.17 H new ATOM 0 HB2 LEU A 84 4.357 14.297 32.958 1.00 10.66 H new ATOM 0 HB3 LEU A 84 5.572 15.012 32.292 1.00 10.66 H new ATOM 0 HG LEU A 84 4.981 15.107 35.043 1.00 12.43 H new ATOM 0 HD11 LEU A 84 6.963 13.871 35.329 1.00 13.14 H new ATOM 0 HD12 LEU A 84 5.950 13.056 34.424 1.00 13.14 H new ATOM 0 HD13 LEU A 84 7.164 13.825 33.759 1.00 13.14 H new ATOM 0 HD21 LEU A 84 6.984 16.361 35.235 1.00 12.34 H new ATOM 0 HD22 LEU A 84 7.154 16.321 33.661 1.00 12.34 H new ATOM 0 HD23 LEU A 84 5.960 17.135 34.308 1.00 12.34 H new ATOM 662 N LEU A 85 2.015 16.312 31.207 1.00 10.46 N ATOM 663 CA LEU A 85 1.317 16.197 29.922 1.00 10.09 C ATOM 664 C LEU A 85 0.754 17.567 29.507 1.00 10.22 C ATOM 665 O LEU A 85 0.059 17.620 28.498 1.00 11.05 O ATOM 666 CB LEU A 85 0.200 15.144 29.971 1.00 10.99 C ATOM 667 CG LEU A 85 0.601 13.710 30.341 1.00 11.40 C ATOM 668 CD1 LEU A 85 -0.622 12.819 30.430 1.00 11.04 C ATOM 669 CD2 LEU A 85 1.569 13.206 29.284 1.00 11.59 C ATOM 0 H LEU A 85 1.507 16.490 31.878 1.00 10.46 H new ATOM 0 HA LEU A 85 1.960 15.902 29.258 1.00 10.09 H new ATOM 0 HB2 LEU A 85 -0.467 15.443 30.609 1.00 10.99 H new ATOM 0 HB3 LEU A 85 -0.229 15.121 29.101 1.00 10.99 H new ATOM 0 HG LEU A 85 1.028 13.695 31.212 1.00 11.40 H new ATOM 0 HD11 LEU A 85 -0.350 11.918 30.664 1.00 11.04 H new ATOM 0 HD12 LEU A 85 -1.224 13.162 31.109 1.00 11.04 H new ATOM 0 HD13 LEU A 85 -1.076 12.806 29.573 1.00 11.04 H new ATOM 0 HD21 LEU A 85 1.837 12.299 29.497 1.00 11.59 H new ATOM 0 HD22 LEU A 85 1.136 13.219 28.416 1.00 11.59 H new ATOM 0 HD23 LEU A 85 2.352 13.778 29.263 1.00 11.59 H new ATOM 670 N GLN A 86 1.063 18.597 30.245 1.00 11.23 N ATOM 671 CA GLN A 86 0.583 19.971 29.905 1.00 11.07 C ATOM 672 C GLN A 86 1.338 20.573 28.732 1.00 11.78 C ATOM 673 O GLN A 86 2.489 20.176 28.473 1.00 11.65 O ATOM 674 CB GLN A 86 0.886 20.912 31.100 1.00 12.51 C ATOM 675 CG GLN A 86 0.304 20.443 32.417 1.00 17.44 C ATOM 676 CD GLN A 86 0.401 21.422 33.551 1.00 20.38 C ATOM 677 OE1 GLN A 86 -0.198 22.503 33.539 1.00 25.32 O ATOM 678 NE2 GLN A 86 1.098 21.165 34.639 1.00 22.50 N ATOM 0 H GLN A 86 1.548 18.554 30.954 1.00 11.23 H new ATOM 0 HA GLN A 86 -0.361 19.893 29.695 1.00 11.07 H new ATOM 0 HB2 GLN A 86 1.847 21.000 31.195 1.00 12.51 H new ATOM 0 HB3 GLN A 86 0.539 21.795 30.900 1.00 12.51 H new ATOM 0 HG2 GLN A 86 -0.631 20.223 32.280 1.00 17.44 H new ATOM 0 HG3 GLN A 86 0.753 19.624 32.678 1.00 17.44 H new ATOM 0 HE21 GLN A 86 1.536 20.428 34.705 1.00 22.50 H new ATOM 0 HE22 GLN A 86 1.115 21.734 35.283 1.00 22.50 H new ATOM 679 N ASP A 87 0.734 21.571 28.089 1.00 11.00 N ATOM 680 CA ASP A 87 1.432 22.309 27.001 1.00 12.79 C ATOM 681 C ASP A 87 2.536 23.179 27.651 1.00 12.59 C ATOM 682 O ASP A 87 3.534 23.429 26.991 1.00 12.70 O ATOM 683 CB ASP A 87 0.482 23.155 26.172 1.00 13.94 C ATOM 684 CG ASP A 87 -0.406 22.383 25.216 1.00 15.89 C ATOM 685 OD1 ASP A 87 -0.333 21.157 25.000 1.00 15.25 O ATOM 686 OD2 ASP A 87 -1.225 23.143 24.631 1.00 16.10 O ATOM 0 H ASP A 87 -0.065 21.842 28.254 1.00 11.00 H new ATOM 0 HA ASP A 87 1.822 21.672 26.383 1.00 12.79 H new ATOM 0 HB2 ASP A 87 -0.082 23.665 26.774 1.00 13.94 H new ATOM 0 HB3 ASP A 87 1.003 23.794 25.661 1.00 13.94 H new ATOM 687 N ASN A 88 2.318 23.640 28.870 1.00 12.58 N ATOM 688 CA ASN A 88 3.307 24.457 29.564 1.00 14.01 C ATOM 689 C ASN A 88 4.395 23.486 30.067 1.00 12.22 C ATOM 690 O ASN A 88 4.013 22.659 30.885 1.00 11.59 O ATOM 691 CB ASN A 88 2.738 25.272 30.724 1.00 19.12 C ATOM 692 CG ASN A 88 3.871 26.219 31.208 1.00 21.76 C ATOM 693 OD1 ASN A 88 4.588 25.906 32.118 1.00 21.12 O ATOM 694 ND2 ASN A 88 4.089 27.405 30.581 1.00 26.61 N ATOM 0 H ASN A 88 1.600 23.492 29.319 1.00 12.58 H new ATOM 0 HA ASN A 88 3.656 25.120 28.948 1.00 14.01 H new ATOM 0 HB2 ASN A 88 1.963 25.781 30.439 1.00 19.12 H new ATOM 0 HB3 ASN A 88 2.446 24.690 31.443 1.00 19.12 H new ATOM 0 HD21 ASN A 88 4.731 27.916 30.838 1.00 26.61 H new ATOM 0 HD22 ASN A 88 3.585 27.645 29.927 1.00 26.61 H new ATOM 695 N ILE A 89 5.625 23.618 29.608 1.00 11.91 N ATOM 696 CA ILE A 89 6.670 22.659 30.009 1.00 11.31 C ATOM 697 C ILE A 89 7.430 23.018 31.260 1.00 10.41 C ATOM 698 O ILE A 89 8.343 22.232 31.582 1.00 9.11 O ATOM 699 CB ILE A 89 7.626 22.400 28.785 1.00 12.85 C ATOM 700 CG1 ILE A 89 8.438 23.668 28.430 1.00 11.47 C ATOM 701 CG2 ILE A 89 6.875 21.794 27.578 1.00 12.20 C ATOM 702 CD1 ILE A 89 9.613 23.373 27.455 1.00 15.04 C ATOM 0 H ILE A 89 5.885 24.239 29.073 1.00 11.91 H new ATOM 0 HA ILE A 89 6.215 21.839 30.257 1.00 11.31 H new ATOM 0 HB ILE A 89 8.272 21.727 29.050 1.00 12.85 H new ATOM 0 HG12 ILE A 89 7.847 24.325 28.029 1.00 11.47 H new ATOM 0 HG13 ILE A 89 8.789 24.062 29.244 1.00 11.47 H new ATOM 0 HG21 ILE A 89 7.498 21.650 26.848 1.00 12.20 H new ATOM 0 HG22 ILE A 89 6.478 20.947 27.835 1.00 12.20 H new ATOM 0 HG23 ILE A 89 6.177 22.404 27.292 1.00 12.20 H new ATOM 0 HD11 ILE A 89 10.089 24.196 27.264 1.00 15.04 H new ATOM 0 HD12 ILE A 89 10.220 22.736 27.863 1.00 15.04 H new ATOM 0 HD13 ILE A 89 9.263 23.003 26.629 1.00 15.04 H new ATOM 703 N ALA A 90 7.063 24.081 31.956 1.00 8.86 N ATOM 704 CA ALA A 90 7.833 24.461 33.162 1.00 9.43 C ATOM 705 C ALA A 90 7.969 23.352 34.200 1.00 9.21 C ATOM 706 O ALA A 90 9.124 23.087 34.598 1.00 9.22 O ATOM 707 CB ALA A 90 7.383 25.790 33.718 1.00 8.75 C ATOM 0 H ALA A 90 6.396 24.590 31.767 1.00 8.86 H new ATOM 0 HA ALA A 90 8.748 24.591 32.868 1.00 9.43 H new ATOM 0 HB1 ALA A 90 7.908 26.006 34.505 1.00 8.75 H new ATOM 0 HB2 ALA A 90 7.507 26.480 33.048 1.00 8.75 H new ATOM 0 HB3 ALA A 90 6.445 25.739 33.959 1.00 8.75 H new ATOM 708 N PRO A 91 6.892 22.652 34.524 1.00 10.07 N ATOM 709 CA PRO A 91 6.952 21.527 35.483 1.00 10.35 C ATOM 710 C PRO A 91 7.805 20.389 34.921 1.00 10.05 C ATOM 711 O PRO A 91 8.607 19.828 35.679 1.00 10.20 O ATOM 712 CB PRO A 91 5.486 21.130 35.741 1.00 11.62 C ATOM 713 CG PRO A 91 4.730 22.402 35.350 1.00 11.81 C ATOM 714 CD PRO A 91 5.518 22.948 34.142 1.00 9.66 C ATOM 0 HA PRO A 91 7.381 21.765 36.320 1.00 10.35 H new ATOM 0 HB2 PRO A 91 5.217 20.369 35.203 1.00 11.62 H new ATOM 0 HB3 PRO A 91 5.334 20.889 36.668 1.00 11.62 H new ATOM 0 HG2 PRO A 91 3.809 22.210 35.115 1.00 11.81 H new ATOM 0 HG3 PRO A 91 4.710 23.041 36.079 1.00 11.81 H new ATOM 0 HD2 PRO A 91 5.267 22.507 33.315 1.00 9.66 H new ATOM 0 HD3 PRO A 91 5.373 23.898 34.012 1.00 9.66 H new ATOM 715 N ALA A 92 7.689 20.091 33.639 1.00 9.91 N ATOM 716 CA ALA A 92 8.506 19.013 33.033 1.00 10.64 C ATOM 717 C ALA A 92 9.986 19.363 33.103 1.00 11.96 C ATOM 718 O ALA A 92 10.902 18.513 33.303 1.00 11.90 O ATOM 719 CB ALA A 92 8.000 18.712 31.612 1.00 9.58 C ATOM 0 H ALA A 92 7.154 20.487 33.095 1.00 9.91 H new ATOM 0 HA ALA A 92 8.407 18.191 33.539 1.00 10.64 H new ATOM 0 HB1 ALA A 92 8.537 18.006 31.220 1.00 9.58 H new ATOM 0 HB2 ALA A 92 7.073 18.428 31.652 1.00 9.58 H new ATOM 0 HB3 ALA A 92 8.070 19.512 31.067 1.00 9.58 H new ATOM 720 N VAL A 93 10.284 20.651 32.888 1.00 10.16 N ATOM 721 CA VAL A 93 11.693 21.107 32.925 1.00 9.61 C ATOM 722 C VAL A 93 12.208 20.999 34.351 1.00 9.70 C ATOM 723 O VAL A 93 13.356 20.542 34.573 1.00 9.32 O ATOM 724 CB VAL A 93 11.835 22.526 32.300 1.00 9.79 C ATOM 725 CG1 VAL A 93 13.117 23.229 32.747 1.00 10.72 C ATOM 726 CG2 VAL A 93 11.760 22.491 30.791 1.00 8.58 C ATOM 0 H VAL A 93 9.706 21.266 32.723 1.00 10.16 H new ATOM 0 HA VAL A 93 12.252 20.536 32.376 1.00 9.61 H new ATOM 0 HB VAL A 93 11.081 23.039 32.629 1.00 9.79 H new ATOM 0 HG11 VAL A 93 13.165 24.106 32.336 1.00 10.72 H new ATOM 0 HG12 VAL A 93 13.114 23.324 33.712 1.00 10.72 H new ATOM 0 HG13 VAL A 93 13.886 22.703 32.477 1.00 10.72 H new ATOM 0 HG21 VAL A 93 11.852 23.391 30.441 1.00 8.58 H new ATOM 0 HG22 VAL A 93 12.475 21.935 30.444 1.00 8.58 H new ATOM 0 HG23 VAL A 93 10.904 22.125 30.518 1.00 8.58 H new ATOM 727 N ALA A 94 11.389 21.425 35.324 1.00 9.86 N ATOM 728 CA ALA A 94 11.856 21.368 36.723 1.00 9.93 C ATOM 729 C ALA A 94 12.158 19.915 37.126 1.00 10.09 C ATOM 730 O ALA A 94 13.099 19.646 37.878 1.00 10.40 O ATOM 731 CB ALA A 94 10.866 22.058 37.632 1.00 9.41 C ATOM 0 H ALA A 94 10.596 21.737 35.207 1.00 9.86 H new ATOM 0 HA ALA A 94 12.691 21.852 36.814 1.00 9.93 H new ATOM 0 HB1 ALA A 94 11.183 22.015 38.548 1.00 9.41 H new ATOM 0 HB2 ALA A 94 10.774 22.986 37.366 1.00 9.41 H new ATOM 0 HB3 ALA A 94 10.005 21.617 37.567 1.00 9.41 H new ATOM 732 N CYS A 95 11.385 18.992 36.627 1.00 8.90 N ATOM 733 CA CYS A 95 11.550 17.551 36.927 1.00 8.60 C ATOM 734 C CYS A 95 12.792 17.006 36.222 1.00 8.40 C ATOM 735 O CYS A 95 13.520 16.219 36.880 1.00 8.56 O ATOM 736 CB CYS A 95 10.271 16.801 36.565 1.00 10.21 C ATOM 737 SG CYS A 95 10.299 15.065 37.134 1.00 11.53 S ATOM 0 H CYS A 95 10.732 19.162 36.093 1.00 8.90 H new ATOM 0 HA CYS A 95 11.694 17.419 37.877 1.00 8.60 H new ATOM 0 HB2 CYS A 95 9.510 17.256 36.958 1.00 10.21 H new ATOM 0 HB3 CYS A 95 10.148 16.822 35.603 1.00 10.21 H new ATOM 738 N ALA A 96 12.987 17.346 34.971 1.00 6.76 N ATOM 739 CA ALA A 96 14.162 16.892 34.223 1.00 8.42 C ATOM 740 C ALA A 96 15.426 17.375 34.944 1.00 8.30 C ATOM 741 O ALA A 96 16.445 16.655 34.973 1.00 8.39 O ATOM 742 CB ALA A 96 14.115 17.351 32.770 1.00 9.62 C ATOM 0 H ALA A 96 12.451 17.845 34.520 1.00 6.76 H new ATOM 0 HA ALA A 96 14.171 15.922 34.194 1.00 8.42 H new ATOM 0 HB1 ALA A 96 14.905 17.035 32.305 1.00 9.62 H new ATOM 0 HB2 ALA A 96 13.322 16.991 32.342 1.00 9.62 H new ATOM 0 HB3 ALA A 96 14.088 18.320 32.737 1.00 9.62 H new ATOM 743 N LYS A 97 15.361 18.595 35.516 1.00 7.16 N ATOM 744 CA LYS A 97 16.509 19.110 36.258 1.00 7.53 C ATOM 745 C LYS A 97 16.749 18.204 37.454 1.00 8.83 C ATOM 746 O LYS A 97 17.917 17.823 37.748 1.00 10.07 O ATOM 747 CB LYS A 97 16.326 20.570 36.716 1.00 8.80 C ATOM 748 CG LYS A 97 16.528 21.593 35.574 1.00 9.15 C ATOM 749 CD LYS A 97 16.173 22.998 36.074 1.00 10.19 C ATOM 750 CE LYS A 97 16.310 24.016 34.933 1.00 11.72 C ATOM 751 NZ LYS A 97 15.888 25.352 35.417 1.00 12.92 N ATOM 0 H LYS A 97 14.680 19.119 35.483 1.00 7.16 H new ATOM 0 HA LYS A 97 17.277 19.111 35.665 1.00 7.53 H new ATOM 0 HB2 LYS A 97 15.436 20.678 37.086 1.00 8.80 H new ATOM 0 HB3 LYS A 97 16.955 20.761 37.429 1.00 8.80 H new ATOM 0 HG2 LYS A 97 17.448 21.572 35.267 1.00 9.15 H new ATOM 0 HG3 LYS A 97 15.971 21.359 34.815 1.00 9.15 H new ATOM 0 HD2 LYS A 97 15.266 23.007 36.417 1.00 10.19 H new ATOM 0 HD3 LYS A 97 16.757 23.245 36.808 1.00 10.19 H new ATOM 0 HE2 LYS A 97 17.228 24.048 34.622 1.00 11.72 H new ATOM 0 HE3 LYS A 97 15.764 23.747 34.178 1.00 11.72 H new ATOM 0 HZ1 LYS A 97 15.701 25.875 34.721 1.00 12.92 H new ATOM 0 HZ2 LYS A 97 15.164 25.268 35.928 1.00 12.92 H new ATOM 0 HZ3 LYS A 97 16.546 25.717 35.893 1.00 12.92 H new ATOM 752 N ARG A 98 15.667 17.827 38.136 1.00 8.65 N ATOM 753 CA ARG A 98 15.772 16.909 39.301 1.00 9.34 C ATOM 754 C ARG A 98 16.379 15.580 38.870 1.00 8.19 C ATOM 755 O ARG A 98 17.303 15.072 39.524 1.00 8.34 O ATOM 756 CB ARG A 98 14.408 16.700 39.962 1.00 9.72 C ATOM 757 CG ARG A 98 14.404 15.525 40.950 1.00 13.64 C ATOM 758 CD ARG A 98 15.034 15.912 42.256 1.00 15.73 C ATOM 759 NE ARG A 98 15.329 14.820 43.159 1.00 18.78 N ATOM 760 CZ ARG A 98 16.173 13.793 43.033 1.00 19.21 C ATOM 761 NH1 ARG A 98 16.145 12.898 44.030 1.00 19.95 N ATOM 762 NH2 ARG A 98 17.075 13.597 42.063 1.00 18.40 N ATOM 0 H ARG A 98 14.867 18.082 37.952 1.00 8.65 H new ATOM 0 HA ARG A 98 16.357 17.315 39.959 1.00 9.34 H new ATOM 0 HB2 ARG A 98 14.151 17.511 40.428 1.00 9.72 H new ATOM 0 HB3 ARG A 98 13.741 16.543 39.276 1.00 9.72 H new ATOM 0 HG2 ARG A 98 13.492 15.230 41.102 1.00 13.64 H new ATOM 0 HG3 ARG A 98 14.884 14.775 40.566 1.00 13.64 H new ATOM 0 HD2 ARG A 98 15.859 16.388 42.070 1.00 15.73 H new ATOM 0 HD3 ARG A 98 14.444 16.534 42.709 1.00 15.73 H new ATOM 0 HE ARG A 98 14.889 14.835 43.898 1.00 18.78 H new ATOM 0 HH11 ARG A 98 15.607 13.008 44.692 1.00 19.95 H new ATOM 0 HH12 ARG A 98 16.665 12.213 44.008 1.00 19.95 H new ATOM 0 HH21 ARG A 98 17.155 14.171 41.428 1.00 18.40 H new ATOM 0 HH22 ARG A 98 17.574 12.897 42.075 1.00 18.40 H new ATOM 763 N VAL A 99 15.968 15.015 37.750 1.00 8.84 N ATOM 764 CA VAL A 99 16.537 13.738 37.276 1.00 9.64 C ATOM 765 C VAL A 99 18.055 13.808 37.131 1.00 10.58 C ATOM 766 O VAL A 99 18.762 12.885 37.597 1.00 12.70 O ATOM 767 CB VAL A 99 15.897 13.280 35.950 1.00 9.71 C ATOM 768 CG1 VAL A 99 16.588 12.054 35.340 1.00 8.86 C ATOM 769 CG2 VAL A 99 14.406 13.104 36.104 1.00 8.77 C ATOM 0 H VAL A 99 15.360 15.345 37.239 1.00 8.84 H new ATOM 0 HA VAL A 99 16.329 13.079 37.957 1.00 9.64 H new ATOM 0 HB VAL A 99 16.037 13.989 35.303 1.00 9.71 H new ATOM 0 HG11 VAL A 99 16.145 11.812 34.512 1.00 8.86 H new ATOM 0 HG12 VAL A 99 17.518 12.263 35.160 1.00 8.86 H new ATOM 0 HG13 VAL A 99 16.538 11.311 35.962 1.00 8.86 H new ATOM 0 HG21 VAL A 99 14.025 12.816 35.260 1.00 8.77 H new ATOM 0 HG22 VAL A 99 14.227 12.435 36.783 1.00 8.77 H new ATOM 0 HG23 VAL A 99 14.006 13.947 36.368 1.00 8.77 H new ATOM 770 N VAL A 100 18.583 14.823 36.464 1.00 9.78 N ATOM 771 CA VAL A 100 20.031 14.927 36.238 1.00 11.33 C ATOM 772 C VAL A 100 20.826 15.281 37.472 1.00 11.84 C ATOM 773 O VAL A 100 22.074 15.182 37.400 1.00 13.42 O ATOM 774 CB VAL A 100 20.371 15.784 35.009 1.00 9.79 C ATOM 775 CG1 VAL A 100 19.714 15.254 33.740 1.00 11.00 C ATOM 776 CG2 VAL A 100 20.001 17.245 35.282 1.00 11.29 C ATOM 0 H VAL A 100 18.124 15.469 36.130 1.00 9.78 H new ATOM 0 HA VAL A 100 20.327 14.028 36.025 1.00 11.33 H new ATOM 0 HB VAL A 100 21.327 15.732 34.853 1.00 9.79 H new ATOM 0 HG11 VAL A 100 19.953 15.821 32.990 1.00 11.00 H new ATOM 0 HG12 VAL A 100 20.020 14.349 33.571 1.00 11.00 H new ATOM 0 HG13 VAL A 100 18.750 15.254 33.850 1.00 11.00 H new ATOM 0 HG21 VAL A 100 20.216 17.784 34.505 1.00 11.29 H new ATOM 0 HG22 VAL A 100 19.051 17.309 35.466 1.00 11.29 H new ATOM 0 HG23 VAL A 100 20.501 17.568 36.048 1.00 11.29 H new ATOM 777 N ARG A 101 20.198 15.646 38.561 1.00 12.80 N ATOM 778 CA ARG A 101 20.920 15.952 39.796 1.00 15.90 C ATOM 779 C ARG A 101 21.436 14.667 40.439 1.00 17.76 C ATOM 780 O ARG A 101 22.320 14.710 41.333 1.00 19.03 O ATOM 781 CB ARG A 101 20.046 16.779 40.737 1.00 15.82 C ATOM 782 CG ARG A 101 19.929 18.246 40.343 1.00 16.73 C ATOM 783 CD ARG A 101 19.650 19.165 41.482 1.00 16.47 C ATOM 784 NE ARG A 101 18.301 19.092 42.006 1.00 16.27 N ATOM 785 CZ ARG A 101 17.182 19.569 41.501 1.00 15.36 C ATOM 786 NH1 ARG A 101 17.034 20.239 40.371 1.00 15.37 N ATOM 787 NH2 ARG A 101 16.101 19.359 42.229 1.00 16.39 N ATOM 0 H ARG A 101 19.344 15.727 38.619 1.00 12.80 H new ATOM 0 HA ARG A 101 21.697 16.496 39.590 1.00 15.90 H new ATOM 0 HB2 ARG A 101 19.158 16.389 40.765 1.00 15.82 H new ATOM 0 HB3 ARG A 101 20.409 16.722 41.635 1.00 15.82 H new ATOM 0 HG2 ARG A 101 20.754 18.522 39.913 1.00 16.73 H new ATOM 0 HG3 ARG A 101 19.222 18.338 39.686 1.00 16.73 H new ATOM 0 HD2 ARG A 101 20.273 18.969 42.199 1.00 16.47 H new ATOM 0 HD3 ARG A 101 19.824 20.076 41.196 1.00 16.47 H new ATOM 0 HE ARG A 101 18.219 18.677 42.755 1.00 16.27 H new ATOM 0 HH11 ARG A 101 17.718 20.406 39.877 1.00 15.37 H new ATOM 0 HH12 ARG A 101 16.254 20.508 40.130 1.00 15.37 H new ATOM 0 HH21 ARG A 101 16.161 18.936 42.976 1.00 16.39 H new ATOM 0 HH22 ARG A 101 15.337 19.645 41.957 1.00 16.39 H new ATOM 788 N ASP A 102 20.914 13.528 39.997 1.00 18.90 N ATOM 789 CA ASP A 102 21.321 12.180 40.463 1.00 18.65 C ATOM 790 C ASP A 102 22.624 11.842 39.723 1.00 17.61 C ATOM 791 O ASP A 102 22.866 12.403 38.654 1.00 17.42 O ATOM 792 CB ASP A 102 20.223 11.181 40.128 1.00 20.32 C ATOM 793 CG ASP A 102 19.248 10.867 41.245 1.00 21.28 C ATOM 794 OD1 ASP A 102 18.604 9.801 41.060 1.00 23.87 O ATOM 795 OD2 ASP A 102 19.144 11.664 42.193 1.00 21.23 O ATOM 0 H ASP A 102 20.295 13.505 39.401 1.00 18.90 H new ATOM 0 HA ASP A 102 21.460 12.149 41.422 1.00 18.65 H new ATOM 0 HB2 ASP A 102 19.721 11.521 39.371 1.00 20.32 H new ATOM 0 HB3 ASP A 102 20.640 10.352 39.844 1.00 20.32 H new ATOM 796 N PRO A 103 23.422 10.962 40.295 1.00 18.75 N ATOM 797 CA PRO A 103 24.723 10.588 39.737 1.00 18.56 C ATOM 798 C PRO A 103 24.798 10.290 38.269 1.00 18.71 C ATOM 799 O PRO A 103 25.747 10.738 37.571 1.00 18.44 O ATOM 800 CB PRO A 103 25.233 9.451 40.646 1.00 20.32 C ATOM 801 CG PRO A 103 24.439 9.575 41.916 1.00 20.05 C ATOM 802 CD PRO A 103 23.150 10.302 41.596 1.00 19.15 C ATOM 0 HA PRO A 103 25.303 11.365 39.747 1.00 18.56 H new ATOM 0 HB2 PRO A 103 25.098 8.584 40.232 1.00 20.32 H new ATOM 0 HB3 PRO A 103 26.184 9.539 40.817 1.00 20.32 H new ATOM 0 HG2 PRO A 103 24.251 8.698 42.285 1.00 20.05 H new ATOM 0 HG3 PRO A 103 24.945 10.061 42.586 1.00 20.05 H new ATOM 0 HD2 PRO A 103 22.402 9.688 41.533 1.00 19.15 H new ATOM 0 HD3 PRO A 103 22.928 10.950 42.283 1.00 19.15 H new ATOM 803 N GLN A 104 23.869 9.549 37.702 1.00 17.85 N ATOM 804 CA GLN A 104 23.877 9.199 36.273 1.00 18.66 C ATOM 805 C GLN A 104 23.775 10.426 35.340 1.00 16.18 C ATOM 806 O GLN A 104 24.196 10.331 34.165 1.00 15.30 O ATOM 807 CB GLN A 104 22.702 8.277 35.941 1.00 21.67 C ATOM 808 CG GLN A 104 22.765 6.868 36.461 1.00 25.83 C ATOM 809 CD GLN A 104 21.769 6.030 35.667 1.00 27.85 C ATOM 810 OE1 GLN A 104 20.588 5.959 35.969 1.00 30.38 O ATOM 811 NE2 GLN A 104 22.268 5.415 34.591 1.00 29.51 N ATOM 0 H GLN A 104 23.200 9.224 38.133 1.00 17.85 H new ATOM 0 HA GLN A 104 24.730 8.763 36.120 1.00 18.66 H new ATOM 0 HB2 GLN A 104 21.892 8.687 36.283 1.00 21.67 H new ATOM 0 HB3 GLN A 104 22.615 8.237 34.976 1.00 21.67 H new ATOM 0 HG2 GLN A 104 23.662 6.511 36.365 1.00 25.83 H new ATOM 0 HG3 GLN A 104 22.550 6.845 37.407 1.00 25.83 H new ATOM 0 HE21 GLN A 104 23.105 5.485 34.405 1.00 29.51 H new ATOM 0 HE22 GLN A 104 21.752 4.950 34.084 1.00 29.51 H new ATOM 812 N GLY A 105 23.184 11.507 35.843 1.00 15.05 N ATOM 813 CA GLY A 105 23.043 12.729 34.985 1.00 12.43 C ATOM 814 C GLY A 105 22.149 12.376 33.812 1.00 12.04 C ATOM 815 O GLY A 105 21.184 11.651 33.951 1.00 12.86 O ATOM 0 H GLY A 105 22.865 11.573 36.639 1.00 15.05 H new ATOM 0 HA2 GLY A 105 22.660 13.460 35.495 1.00 12.43 H new ATOM 0 HA3 GLY A 105 23.912 13.026 34.672 1.00 12.43 H new ATOM 816 N ILE A 106 22.415 12.893 32.645 1.00 12.89 N ATOM 817 CA ILE A 106 21.699 12.683 31.396 1.00 14.54 C ATOM 818 C ILE A 106 21.679 11.234 30.914 1.00 15.14 C ATOM 819 O ILE A 106 20.821 10.874 30.081 1.00 14.75 O ATOM 820 CB ILE A 106 22.412 13.639 30.357 1.00 15.40 C ATOM 821 CG1 ILE A 106 21.595 13.774 29.052 1.00 18.58 C ATOM 822 CG2 ILE A 106 23.859 13.209 30.082 1.00 17.16 C ATOM 823 CD1 ILE A 106 20.222 14.493 29.178 1.00 17.49 C ATOM 0 H ILE A 106 23.080 13.428 32.541 1.00 12.89 H new ATOM 0 HA ILE A 106 20.757 12.886 31.511 1.00 14.54 H new ATOM 0 HB ILE A 106 22.452 14.520 30.762 1.00 15.40 H new ATOM 0 HG12 ILE A 106 22.133 14.254 28.403 1.00 18.58 H new ATOM 0 HG13 ILE A 106 21.443 12.886 28.693 1.00 18.58 H new ATOM 0 HG21 ILE A 106 24.262 13.817 29.442 1.00 17.16 H new ATOM 0 HG22 ILE A 106 24.365 13.229 30.909 1.00 17.16 H new ATOM 0 HG23 ILE A 106 23.866 12.309 29.720 1.00 17.16 H new ATOM 0 HD11 ILE A 106 19.792 14.525 28.309 1.00 17.49 H new ATOM 0 HD12 ILE A 106 19.658 14.007 29.799 1.00 17.49 H new ATOM 0 HD13 ILE A 106 20.358 15.396 29.504 1.00 17.49 H new ATOM 824 N ARG A 107 22.599 10.410 31.395 1.00 15.75 N ATOM 825 CA ARG A 107 22.710 8.995 31.031 1.00 16.74 C ATOM 826 C ARG A 107 21.537 8.193 31.545 1.00 17.10 C ATOM 827 O ARG A 107 21.335 7.051 31.122 1.00 17.14 O ATOM 828 CB ARG A 107 23.975 8.316 31.600 1.00 20.21 C ATOM 829 CG ARG A 107 25.241 8.777 30.902 1.00 25.12 C ATOM 830 CD ARG A 107 26.515 8.539 31.641 1.00 28.35 C ATOM 831 NE ARG A 107 27.671 8.566 30.746 1.00 31.25 N ATOM 832 CZ ARG A 107 28.091 9.624 30.048 1.00 32.91 C ATOM 833 NH1 ARG A 107 29.128 9.511 29.200 1.00 32.92 N ATOM 834 NH2 ARG A 107 27.484 10.811 30.208 1.00 32.75 N ATOM 0 H ARG A 107 23.197 10.662 31.960 1.00 15.75 H new ATOM 0 HA ARG A 107 22.743 9.000 30.062 1.00 16.74 H new ATOM 0 HB2 ARG A 107 24.043 8.508 32.548 1.00 20.21 H new ATOM 0 HB3 ARG A 107 23.891 7.354 31.510 1.00 20.21 H new ATOM 0 HG2 ARG A 107 25.297 8.330 30.043 1.00 25.12 H new ATOM 0 HG3 ARG A 107 25.164 9.727 30.723 1.00 25.12 H new ATOM 0 HD2 ARG A 107 26.622 9.215 32.329 1.00 28.35 H new ATOM 0 HD3 ARG A 107 26.473 7.681 32.091 1.00 28.35 H new ATOM 0 HE ARG A 107 28.119 7.837 30.662 1.00 31.25 H new ATOM 0 HH11 ARG A 107 29.525 8.754 29.105 1.00 32.92 H new ATOM 0 HH12 ARG A 107 29.394 10.196 28.753 1.00 32.92 H new ATOM 0 HH21 ARG A 107 26.828 10.888 30.758 1.00 32.75 H new ATOM 0 HH22 ARG A 107 27.752 11.495 29.760 1.00 32.75 H new ATOM 835 N ALA A 108 20.798 8.780 32.444 1.00 16.24 N ATOM 836 CA ALA A 108 19.618 8.170 33.045 1.00 17.02 C ATOM 837 C ALA A 108 18.682 7.736 31.910 1.00 17.23 C ATOM 838 O ALA A 108 17.907 6.768 32.099 1.00 18.73 O ATOM 839 CB ALA A 108 18.960 9.148 33.997 1.00 15.80 C ATOM 0 H ALA A 108 20.963 9.570 32.740 1.00 16.24 H new ATOM 0 HA ALA A 108 19.853 7.389 33.569 1.00 17.02 H new ATOM 0 HB1 ALA A 108 18.176 8.736 34.393 1.00 15.80 H new ATOM 0 HB2 ALA A 108 19.587 9.390 34.697 1.00 15.80 H new ATOM 0 HB3 ALA A 108 18.696 9.945 33.511 1.00 15.80 H new ATOM 840 N TRP A 109 18.716 8.445 30.793 1.00 15.12 N ATOM 841 CA TRP A 109 17.849 8.093 29.643 1.00 14.42 C ATOM 842 C TRP A 109 18.624 7.237 28.665 1.00 14.40 C ATOM 843 O TRP A 109 19.608 7.737 28.059 1.00 14.13 O ATOM 844 CB TRP A 109 17.323 9.358 28.955 1.00 13.84 C ATOM 845 CG TRP A 109 16.235 10.132 29.609 1.00 12.64 C ATOM 846 CD1 TRP A 109 14.883 9.901 29.491 1.00 12.40 C ATOM 847 CD2 TRP A 109 16.371 11.291 30.446 1.00 11.59 C ATOM 848 NE1 TRP A 109 14.187 10.808 30.226 1.00 12.71 N ATOM 849 CE2 TRP A 109 15.070 11.676 30.819 1.00 12.25 C ATOM 850 CE3 TRP A 109 17.459 12.013 30.903 1.00 12.06 C ATOM 851 CZ2 TRP A 109 14.811 12.808 31.609 1.00 10.95 C ATOM 852 CZ3 TRP A 109 17.241 13.133 31.714 1.00 12.92 C ATOM 853 CH2 TRP A 109 15.934 13.507 32.056 1.00 12.45 C ATOM 0 H TRP A 109 19.223 9.128 30.667 1.00 15.12 H new ATOM 0 HA TRP A 109 17.085 7.590 29.967 1.00 14.42 H new ATOM 0 HB2 TRP A 109 18.075 9.958 28.829 1.00 13.84 H new ATOM 0 HB3 TRP A 109 17.012 9.104 28.072 1.00 13.84 H new ATOM 0 HD1 TRP A 109 14.501 9.223 28.982 1.00 12.40 H new ATOM 0 HE1 TRP A 109 13.331 10.834 30.307 1.00 12.71 H new ATOM 0 HE3 TRP A 109 18.324 11.758 30.675 1.00 12.06 H new ATOM 0 HZ2 TRP A 109 13.946 13.075 31.821 1.00 10.95 H new ATOM 0 HZ3 TRP A 109 17.963 13.629 32.026 1.00 12.92 H new ATOM 0 HH2 TRP A 109 15.810 14.250 32.602 1.00 12.45 H new ATOM 854 N VAL A 110 18.190 5.994 28.419 1.00 14.50 N ATOM 855 CA VAL A 110 18.952 5.140 27.470 1.00 15.56 C ATOM 856 C VAL A 110 18.956 5.689 26.071 1.00 14.30 C ATOM 857 O VAL A 110 19.927 5.506 25.296 1.00 14.56 O ATOM 858 CB VAL A 110 18.455 3.662 27.578 1.00 18.92 C ATOM 859 CG1 VAL A 110 17.078 3.527 26.924 1.00 20.33 C ATOM 860 CG2 VAL A 110 19.409 2.675 26.914 1.00 20.30 C ATOM 0 H VAL A 110 17.492 5.633 28.768 1.00 14.50 H new ATOM 0 HA VAL A 110 19.888 5.147 27.723 1.00 15.56 H new ATOM 0 HB VAL A 110 18.411 3.449 28.523 1.00 18.92 H new ATOM 0 HG11 VAL A 110 16.775 2.608 26.994 1.00 20.33 H new ATOM 0 HG12 VAL A 110 16.447 4.110 27.374 1.00 20.33 H new ATOM 0 HG13 VAL A 110 17.138 3.777 25.989 1.00 20.33 H new ATOM 0 HG21 VAL A 110 19.060 1.775 27.007 1.00 20.30 H new ATOM 0 HG22 VAL A 110 19.496 2.892 25.973 1.00 20.30 H new ATOM 0 HG23 VAL A 110 20.279 2.729 27.340 1.00 20.30 H new ATOM 861 N ALA A 111 17.882 6.335 25.680 1.00 13.02 N ATOM 862 CA ALA A 111 17.786 6.944 24.344 1.00 13.25 C ATOM 863 C ALA A 111 18.937 7.944 24.145 1.00 12.57 C ATOM 864 O ALA A 111 19.492 8.069 23.020 1.00 12.26 O ATOM 865 CB ALA A 111 16.445 7.698 24.246 1.00 15.44 C ATOM 0 H ALA A 111 17.182 6.441 26.169 1.00 13.02 H new ATOM 0 HA ALA A 111 17.839 6.254 23.664 1.00 13.25 H new ATOM 0 HB1 ALA A 111 16.366 8.106 23.369 1.00 15.44 H new ATOM 0 HB2 ALA A 111 15.713 7.076 24.379 1.00 15.44 H new ATOM 0 HB3 ALA A 111 16.411 8.388 24.927 1.00 15.44 H new ATOM 866 N TRP A 112 19.304 8.634 25.228 1.00 11.58 N ATOM 867 CA TRP A 112 20.415 9.636 25.109 1.00 11.02 C ATOM 868 C TRP A 112 21.719 8.953 24.689 1.00 10.55 C ATOM 869 O TRP A 112 22.436 9.367 23.773 1.00 9.44 O ATOM 870 CB TRP A 112 20.483 10.579 26.320 1.00 11.28 C ATOM 871 CG TRP A 112 21.591 11.568 26.157 1.00 11.03 C ATOM 872 CD1 TRP A 112 21.496 12.818 25.593 1.00 10.82 C ATOM 873 CD2 TRP A 112 22.968 11.385 26.514 1.00 12.35 C ATOM 874 NE1 TRP A 112 22.726 13.424 25.567 1.00 11.86 N ATOM 875 CE2 TRP A 112 23.654 12.603 26.132 1.00 12.42 C ATOM 876 CE3 TRP A 112 23.695 10.372 27.113 1.00 11.17 C ATOM 877 CZ2 TRP A 112 25.003 12.771 26.347 1.00 12.28 C ATOM 878 CZ3 TRP A 112 25.057 10.541 27.345 1.00 12.27 C ATOM 879 CH2 TRP A 112 25.704 11.718 26.966 1.00 13.60 C ATOM 0 H TRP A 112 18.954 8.556 26.010 1.00 11.58 H new ATOM 0 HA TRP A 112 20.224 10.249 24.382 1.00 11.02 H new ATOM 0 HB2 TRP A 112 19.639 11.046 26.420 1.00 11.28 H new ATOM 0 HB3 TRP A 112 20.620 10.063 27.130 1.00 11.28 H new ATOM 0 HD1 TRP A 112 20.710 13.199 25.274 1.00 10.82 H new ATOM 0 HE1 TRP A 112 22.887 14.204 25.243 1.00 11.86 H new ATOM 0 HE3 TRP A 112 23.275 9.580 27.360 1.00 11.17 H new ATOM 0 HZ2 TRP A 112 25.437 13.553 26.092 1.00 12.28 H new ATOM 0 HZ3 TRP A 112 25.541 9.862 27.757 1.00 12.27 H new ATOM 0 HH2 TRP A 112 26.616 11.809 27.125 1.00 13.60 H new ATOM 880 N ARG A 113 22.043 7.841 25.352 1.00 11.46 N ATOM 881 CA ARG A 113 23.233 7.034 25.043 1.00 11.75 C ATOM 882 C ARG A 113 23.180 6.503 23.611 1.00 11.47 C ATOM 883 O ARG A 113 24.172 6.569 22.856 1.00 11.93 O ATOM 884 CB ARG A 113 23.366 5.834 25.967 1.00 13.95 C ATOM 885 CG ARG A 113 23.347 6.153 27.453 1.00 17.75 C ATOM 886 CD ARG A 113 23.440 4.852 28.217 1.00 21.41 C ATOM 887 NE ARG A 113 22.758 4.980 29.478 1.00 25.10 N ATOM 888 CZ ARG A 113 22.291 3.971 30.228 1.00 27.72 C ATOM 889 NH1 ARG A 113 22.402 2.699 29.842 1.00 26.20 N ATOM 890 NH2 ARG A 113 21.750 4.329 31.403 1.00 26.63 N ATOM 0 H ARG A 113 21.574 7.528 26.002 1.00 11.46 H new ATOM 0 HA ARG A 113 23.993 7.625 25.163 1.00 11.75 H new ATOM 0 HB2 ARG A 113 22.644 5.215 25.775 1.00 13.95 H new ATOM 0 HB3 ARG A 113 24.195 5.376 25.760 1.00 13.95 H new ATOM 0 HG2 ARG A 113 24.088 6.734 27.684 1.00 17.75 H new ATOM 0 HG3 ARG A 113 22.533 6.625 27.687 1.00 17.75 H new ATOM 0 HD2 ARG A 113 23.046 4.133 27.698 1.00 21.41 H new ATOM 0 HD3 ARG A 113 24.370 4.619 28.364 1.00 21.41 H new ATOM 0 HE ARG A 113 22.639 5.777 29.778 1.00 25.10 H new ATOM 0 HH11 ARG A 113 22.781 2.508 29.094 1.00 26.20 H new ATOM 0 HH12 ARG A 113 22.094 2.070 30.341 1.00 26.20 H new ATOM 0 HH21 ARG A 113 21.721 5.159 31.628 1.00 26.63 H new ATOM 0 HH22 ARG A 113 21.432 3.729 31.931 1.00 26.63 H new ATOM 891 N ASN A 114 22.018 5.954 23.228 1.00 12.79 N ATOM 892 CA ASN A 114 21.903 5.383 21.862 1.00 12.22 C ATOM 893 C ASN A 114 21.991 6.404 20.734 1.00 13.51 C ATOM 894 O ASN A 114 22.653 6.179 19.699 1.00 12.49 O ATOM 895 CB ASN A 114 20.585 4.603 21.644 1.00 14.11 C ATOM 896 CG ASN A 114 20.370 3.526 22.681 1.00 14.74 C ATOM 897 OD1 ASN A 114 21.339 3.000 23.219 1.00 15.96 O ATOM 898 ND2 ASN A 114 19.114 3.231 22.989 1.00 17.10 N ATOM 0 H ASN A 114 21.311 5.900 23.714 1.00 12.79 H new ATOM 0 HA ASN A 114 22.672 4.793 21.820 1.00 12.22 H new ATOM 0 HB2 ASN A 114 19.839 5.222 21.666 1.00 14.11 H new ATOM 0 HB3 ASN A 114 20.593 4.201 20.761 1.00 14.11 H new ATOM 0 HD21 ASN A 114 18.946 2.644 23.594 1.00 17.10 H new ATOM 0 HD22 ASN A 114 18.467 3.627 22.583 1.00 17.10 H new ATOM 899 N ARG A 115 21.247 7.499 20.961 1.00 12.67 N ATOM 900 CA ARG A 115 21.100 8.523 19.923 1.00 13.36 C ATOM 901 C ARG A 115 21.849 9.826 20.001 1.00 12.42 C ATOM 902 O ARG A 115 21.844 10.447 18.916 1.00 13.23 O ATOM 903 CB ARG A 115 19.592 8.916 19.898 1.00 16.27 C ATOM 904 CG ARG A 115 18.619 7.697 19.957 1.00 16.47 C ATOM 905 CD ARG A 115 18.501 7.197 18.540 1.00 19.06 C ATOM 906 NE ARG A 115 17.507 6.124 18.451 1.00 21.38 N ATOM 907 CZ ARG A 115 17.139 5.627 17.260 1.00 21.25 C ATOM 908 NH1 ARG A 115 17.636 6.108 16.133 1.00 21.75 N ATOM 909 NH2 ARG A 115 16.270 4.624 17.297 1.00 22.27 N ATOM 0 H ARG A 115 20.829 7.662 21.695 1.00 12.67 H new ATOM 0 HA ARG A 115 21.485 8.086 19.147 1.00 13.36 H new ATOM 0 HB2 ARG A 115 19.407 9.502 20.648 1.00 16.27 H new ATOM 0 HB3 ARG A 115 19.412 9.423 19.091 1.00 16.27 H new ATOM 0 HG2 ARG A 115 18.964 7.005 20.543 1.00 16.47 H new ATOM 0 HG3 ARG A 115 17.753 7.959 20.307 1.00 16.47 H new ATOM 0 HD2 ARG A 115 18.248 7.928 17.954 1.00 19.06 H new ATOM 0 HD3 ARG A 115 19.362 6.873 18.234 1.00 19.06 H new ATOM 0 HE ARG A 115 17.156 5.809 19.170 1.00 21.38 H new ATOM 0 HH11 ARG A 115 18.206 6.751 16.155 1.00 21.75 H new ATOM 0 HH12 ARG A 115 17.389 5.777 15.378 1.00 21.75 H new ATOM 0 HH21 ARG A 115 15.980 4.334 18.053 1.00 22.27 H new ATOM 0 HH22 ARG A 115 15.997 4.264 16.565 1.00 22.27 H new ATOM 910 N CYS A 116 22.373 10.168 21.148 1.00 11.10 N ATOM 911 CA CYS A 116 23.001 11.490 21.322 1.00 11.63 C ATOM 912 C CYS A 116 24.429 11.479 21.813 1.00 11.03 C ATOM 913 O CYS A 116 25.185 12.383 21.423 1.00 11.54 O ATOM 914 CB CYS A 116 22.156 12.324 22.357 1.00 10.04 C ATOM 915 SG CYS A 116 20.371 12.381 22.001 1.00 10.31 S ATOM 0 H CYS A 116 22.386 9.666 21.846 1.00 11.10 H new ATOM 0 HA CYS A 116 23.018 11.876 20.432 1.00 11.63 H new ATOM 0 HB2 CYS A 116 22.286 11.948 23.242 1.00 10.04 H new ATOM 0 HB3 CYS A 116 22.499 13.231 22.381 1.00 10.04 H new ATOM 916 N GLN A 117 24.788 10.555 22.669 1.00 10.32 N ATOM 917 CA GLN A 117 26.159 10.498 23.220 1.00 12.05 C ATOM 918 C GLN A 117 27.201 10.313 22.128 1.00 11.85 C ATOM 919 O GLN A 117 27.073 9.487 21.222 1.00 10.54 O ATOM 920 CB GLN A 117 26.256 9.477 24.333 1.00 12.42 C ATOM 921 CG GLN A 117 27.693 9.169 24.755 1.00 15.88 C ATOM 922 CD GLN A 117 27.659 8.134 25.851 1.00 18.94 C ATOM 923 OE1 GLN A 117 26.591 7.355 25.932 1.00 23.48 O flip ATOM 924 NE2 GLN A 117 28.555 8.011 26.682 1.00 19.61 N flip ATOM 0 H GLN A 117 24.263 9.938 22.958 1.00 10.32 H new ATOM 0 HA GLN A 117 26.361 11.357 23.623 1.00 12.05 H new ATOM 0 HB2 GLN A 117 25.763 9.801 25.103 1.00 12.42 H new ATOM 0 HB3 GLN A 117 25.827 8.655 24.047 1.00 12.42 H new ATOM 0 HG2 GLN A 117 28.204 8.842 23.998 1.00 15.88 H new ATOM 0 HG3 GLN A 117 28.133 9.975 25.067 1.00 15.88 H new ATOM 0 HE21 GLN A 117 29.253 8.512 26.639 1.00 19.61 H new ATOM 0 HE22 GLN A 117 28.484 7.424 27.307 1.00 19.61 H new ATOM 925 N ASN A 118 28.223 11.154 22.235 1.00 12.72 N ATOM 926 CA ASN A 118 29.347 11.154 21.314 1.00 16.14 C ATOM 927 C ASN A 118 28.963 11.435 19.878 1.00 16.25 C ATOM 928 O ASN A 118 29.756 11.002 19.008 1.00 20.76 O ATOM 929 CB ASN A 118 30.191 9.848 21.449 1.00 20.48 C ATOM 930 CG ASN A 118 30.815 9.762 22.826 1.00 23.71 C ATOM 931 OD1 ASN A 118 30.782 8.724 23.515 1.00 27.70 O ATOM 932 ND2 ASN A 118 31.382 10.847 23.344 1.00 25.38 N ATOM 0 H ASN A 118 28.282 11.748 22.854 1.00 12.72 H new ATOM 0 HA ASN A 118 29.906 11.902 21.577 1.00 16.14 H new ATOM 0 HB2 ASN A 118 29.627 9.074 21.294 1.00 20.48 H new ATOM 0 HB3 ASN A 118 30.885 9.833 20.772 1.00 20.48 H new ATOM 0 HD21 ASN A 118 31.715 10.822 24.137 1.00 25.38 H new ATOM 0 HD22 ASN A 118 31.416 11.574 22.887 1.00 25.38 H new ATOM 933 N ARG A 119 27.884 12.082 19.557 1.00 14.69 N ATOM 934 CA ARG A 119 27.502 12.420 18.186 1.00 14.38 C ATOM 935 C ARG A 119 27.626 13.972 18.059 1.00 13.50 C ATOM 936 O ARG A 119 27.722 14.672 19.068 1.00 14.02 O ATOM 937 CB ARG A 119 26.036 12.209 17.797 1.00 15.11 C ATOM 938 CG ARG A 119 25.320 10.959 18.241 1.00 18.17 C ATOM 939 CD ARG A 119 25.498 9.798 17.387 1.00 18.81 C ATOM 940 NE ARG A 119 24.782 8.587 17.830 1.00 18.97 N ATOM 941 CZ ARG A 119 24.303 7.711 16.960 1.00 19.31 C ATOM 942 NH1 ARG A 119 23.774 6.564 17.343 1.00 19.18 N ATOM 943 NH2 ARG A 119 24.291 8.048 15.660 1.00 21.01 N ATOM 0 H ARG A 119 27.317 12.356 20.143 1.00 14.69 H new ATOM 0 HA ARG A 119 28.064 11.851 17.637 1.00 14.38 H new ATOM 0 HB2 ARG A 119 25.534 12.967 18.136 1.00 15.11 H new ATOM 0 HB3 ARG A 119 25.985 12.245 16.829 1.00 15.11 H new ATOM 0 HG2 ARG A 119 25.622 10.733 19.135 1.00 18.17 H new ATOM 0 HG3 ARG A 119 24.372 11.153 18.302 1.00 18.17 H new ATOM 0 HD2 ARG A 119 25.202 10.023 16.491 1.00 18.81 H new ATOM 0 HD3 ARG A 119 26.445 9.596 17.331 1.00 18.81 H new ATOM 0 HE ARG A 119 24.673 8.447 18.671 1.00 18.97 H new ATOM 0 HH11 ARG A 119 23.733 6.367 18.179 1.00 19.18 H new ATOM 0 HH12 ARG A 119 23.470 6.013 16.756 1.00 19.18 H new ATOM 0 HH21 ARG A 119 24.589 8.815 15.412 1.00 21.01 H new ATOM 0 HH22 ARG A 119 23.985 7.496 15.076 1.00 21.01 H new ATOM 944 N ASP A 120 27.538 14.392 16.820 1.00 13.04 N ATOM 945 CA ASP A 120 27.546 15.841 16.507 1.00 13.49 C ATOM 946 C ASP A 120 26.073 16.270 16.752 1.00 13.97 C ATOM 947 O ASP A 120 25.209 15.993 15.901 1.00 14.58 O ATOM 948 CB ASP A 120 28.024 16.036 15.070 1.00 14.10 C ATOM 949 CG ASP A 120 28.074 17.543 14.745 1.00 16.49 C ATOM 950 OD1 ASP A 120 27.874 18.370 15.686 1.00 18.34 O ATOM 951 OD2 ASP A 120 28.378 17.740 13.567 1.00 15.65 O ATOM 0 H ASP A 120 27.473 13.875 16.136 1.00 13.04 H new ATOM 0 HA ASP A 120 28.147 16.380 17.044 1.00 13.49 H new ATOM 0 HB2 ASP A 120 28.902 15.641 14.955 1.00 14.10 H new ATOM 0 HB3 ASP A 120 27.426 15.582 14.456 1.00 14.10 H new ATOM 952 N VAL A 121 25.773 16.880 17.885 1.00 12.21 N ATOM 953 CA VAL A 121 24.415 17.300 18.190 1.00 13.38 C ATOM 954 C VAL A 121 24.118 18.772 17.804 1.00 13.99 C ATOM 955 O VAL A 121 23.001 19.234 18.090 1.00 11.82 O ATOM 956 CB VAL A 121 24.047 17.049 19.683 1.00 12.98 C ATOM 957 CG1 VAL A 121 23.875 15.567 19.999 1.00 15.34 C ATOM 958 CG2 VAL A 121 25.014 17.723 20.621 1.00 12.97 C ATOM 0 H VAL A 121 26.347 17.063 18.498 1.00 12.21 H new ATOM 0 HA VAL A 121 23.850 16.743 17.632 1.00 13.38 H new ATOM 0 HB VAL A 121 23.181 17.460 19.828 1.00 12.98 H new ATOM 0 HG11 VAL A 121 23.647 15.460 20.936 1.00 15.34 H new ATOM 0 HG12 VAL A 121 23.165 15.199 19.450 1.00 15.34 H new ATOM 0 HG13 VAL A 121 24.703 15.098 19.812 1.00 15.34 H new ATOM 0 HG21 VAL A 121 24.753 17.545 21.538 1.00 12.97 H new ATOM 0 HG22 VAL A 121 25.908 17.379 20.467 1.00 12.97 H new ATOM 0 HG23 VAL A 121 25.005 18.680 20.463 1.00 12.97 H new ATOM 959 N ARG A 122 25.061 19.441 17.170 1.00 15.99 N ATOM 960 CA ARG A 122 24.845 20.868 16.792 1.00 18.92 C ATOM 961 C ARG A 122 23.607 21.051 15.948 1.00 18.79 C ATOM 962 O ARG A 122 22.951 22.112 16.074 1.00 18.54 O ATOM 963 CB ARG A 122 26.061 21.480 16.068 1.00 21.71 C ATOM 964 CG ARG A 122 27.332 21.428 16.927 1.00 24.74 C ATOM 965 CD ARG A 122 28.556 21.820 16.166 1.00 28.02 C ATOM 966 NE ARG A 122 29.074 20.764 15.289 1.00 30.80 N ATOM 967 CZ ARG A 122 30.083 21.028 14.430 1.00 32.54 C ATOM 968 NH1 ARG A 122 30.600 22.271 14.435 1.00 32.99 N ATOM 969 NH2 ARG A 122 30.535 20.104 13.580 1.00 30.76 N ATOM 0 H ARG A 122 25.824 19.115 16.944 1.00 15.99 H new ATOM 0 HA ARG A 122 24.723 21.342 17.630 1.00 18.92 H new ATOM 0 HB2 ARG A 122 26.214 21.004 15.237 1.00 21.71 H new ATOM 0 HB3 ARG A 122 25.867 22.401 15.835 1.00 21.71 H new ATOM 0 HG2 ARG A 122 27.227 22.018 17.690 1.00 24.74 H new ATOM 0 HG3 ARG A 122 27.446 20.530 17.276 1.00 24.74 H new ATOM 0 HD2 ARG A 122 28.356 22.604 15.631 1.00 28.02 H new ATOM 0 HD3 ARG A 122 29.249 22.075 16.795 1.00 28.02 H new ATOM 0 HE ARG A 122 28.734 19.975 15.322 1.00 30.80 H new ATOM 0 HH11 ARG A 122 30.287 22.865 14.973 1.00 32.99 H new ATOM 0 HH12 ARG A 122 31.243 22.471 13.900 1.00 32.99 H new ATOM 0 HH21 ARG A 122 30.183 19.319 13.571 1.00 30.76 H new ATOM 0 HH22 ARG A 122 31.178 20.293 13.042 1.00 30.76 H new ATOM 970 N GLN A 123 23.281 20.079 15.135 1.00 18.92 N ATOM 971 CA GLN A 123 22.133 20.060 14.253 1.00 20.62 C ATOM 972 C GLN A 123 20.833 20.487 14.954 1.00 19.83 C ATOM 973 O GLN A 123 20.067 21.219 14.332 1.00 19.91 O ATOM 974 CB GLN A 123 21.822 18.685 13.608 1.00 24.55 C ATOM 975 CG GLN A 123 21.548 17.564 14.586 1.00 27.95 C ATOM 976 CD GLN A 123 21.193 16.261 13.909 1.00 31.94 C ATOM 977 OE1 GLN A 123 20.039 16.007 13.532 1.00 33.25 O ATOM 978 NE2 GLN A 123 22.202 15.390 13.756 1.00 33.12 N ATOM 0 H GLN A 123 23.752 19.362 15.075 1.00 18.92 H new ATOM 0 HA GLN A 123 22.401 20.691 13.566 1.00 20.62 H new ATOM 0 HB2 GLN A 123 21.052 18.783 13.026 1.00 24.55 H new ATOM 0 HB3 GLN A 123 22.571 18.430 13.047 1.00 24.55 H new ATOM 0 HG2 GLN A 123 22.330 17.430 15.144 1.00 27.95 H new ATOM 0 HG3 GLN A 123 20.822 17.825 15.174 1.00 27.95 H new ATOM 0 HE21 GLN A 123 22.992 15.595 14.028 1.00 33.12 H new ATOM 0 HE22 GLN A 123 22.059 14.627 13.386 1.00 33.12 H new ATOM 979 N TYR A 124 20.625 19.999 16.163 1.00 18.65 N ATOM 980 CA TYR A 124 19.391 20.301 16.898 1.00 17.42 C ATOM 981 C TYR A 124 19.192 21.773 17.262 1.00 16.97 C ATOM 982 O TYR A 124 18.003 22.103 17.430 1.00 17.16 O ATOM 983 CB TYR A 124 19.261 19.445 18.164 1.00 15.40 C ATOM 984 CG TYR A 124 19.339 17.969 17.792 1.00 16.85 C ATOM 985 CD1 TYR A 124 18.208 17.315 17.315 1.00 17.38 C ATOM 986 CD2 TYR A 124 20.516 17.248 17.924 1.00 18.04 C ATOM 987 CE1 TYR A 124 18.252 15.970 16.941 1.00 19.05 C ATOM 988 CE2 TYR A 124 20.552 15.877 17.588 1.00 18.50 C ATOM 989 CZ TYR A 124 19.431 15.259 17.080 1.00 17.73 C ATOM 990 OH TYR A 124 19.492 13.938 16.726 1.00 19.25 O ATOM 0 H TYR A 124 21.178 19.492 16.582 1.00 18.65 H new ATOM 0 HA TYR A 124 18.689 20.078 16.267 1.00 17.42 H new ATOM 0 HB2 TYR A 124 19.967 19.668 18.790 1.00 15.40 H new ATOM 0 HB3 TYR A 124 18.419 19.632 18.607 1.00 15.40 H new ATOM 0 HD1 TYR A 124 17.407 17.782 17.244 1.00 17.38 H new ATOM 0 HD2 TYR A 124 21.285 17.669 18.235 1.00 18.04 H new ATOM 0 HE1 TYR A 124 17.493 15.554 16.600 1.00 19.05 H new ATOM 0 HE2 TYR A 124 21.335 15.390 17.710 1.00 18.50 H new ATOM 0 HH TYR A 124 18.950 13.790 16.102 1.00 19.25 H new ATOM 991 N VAL A 125 20.235 22.565 17.352 1.00 15.93 N ATOM 992 CA VAL A 125 20.074 23.983 17.704 1.00 15.85 C ATOM 993 C VAL A 125 20.509 24.918 16.550 1.00 17.12 C ATOM 994 O VAL A 125 20.404 26.157 16.752 1.00 15.83 O ATOM 995 CB VAL A 125 20.862 24.343 18.979 1.00 15.13 C ATOM 996 CG1 VAL A 125 20.352 23.689 20.266 1.00 16.30 C ATOM 997 CG2 VAL A 125 22.349 24.083 18.803 1.00 16.04 C ATOM 0 H VAL A 125 21.047 22.316 17.217 1.00 15.93 H new ATOM 0 HA VAL A 125 19.128 24.116 17.870 1.00 15.85 H new ATOM 0 HB VAL A 125 20.709 25.294 19.096 1.00 15.13 H new ATOM 0 HG11 VAL A 125 20.904 23.970 21.013 1.00 16.30 H new ATOM 0 HG12 VAL A 125 19.434 23.958 20.424 1.00 16.30 H new ATOM 0 HG13 VAL A 125 20.395 22.724 20.178 1.00 16.30 H new ATOM 0 HG21 VAL A 125 22.818 24.318 19.619 1.00 16.04 H new ATOM 0 HG22 VAL A 125 22.493 23.144 18.607 1.00 16.04 H new ATOM 0 HG23 VAL A 125 22.687 24.621 18.070 1.00 16.04 H new ATOM 998 N GLN A 126 20.982 24.365 15.457 1.00 17.52 N ATOM 999 CA GLN A 126 21.449 25.235 14.366 1.00 19.51 C ATOM 1000 C GLN A 126 20.339 26.138 13.848 1.00 18.57 C ATOM 1001 O GLN A 126 19.201 25.748 13.527 1.00 18.76 O ATOM 1002 CB GLN A 126 22.167 24.458 13.273 1.00 23.76 C ATOM 1003 CG GLN A 126 21.277 23.530 12.506 1.00 30.76 C ATOM 1004 CD GLN A 126 21.945 22.719 11.427 1.00 35.57 C ATOM 1005 OE1 GLN A 126 23.135 23.167 11.024 1.00 38.48 O flip ATOM 1006 NE2 GLN A 126 21.406 21.701 10.938 1.00 37.68 N flip ATOM 0 H GLN A 126 21.047 23.519 15.314 1.00 17.52 H new ATOM 0 HA GLN A 126 22.120 25.829 14.737 1.00 19.51 H new ATOM 0 HB2 GLN A 126 22.574 25.086 12.656 1.00 23.76 H new ATOM 0 HB3 GLN A 126 22.887 23.945 13.672 1.00 23.76 H new ATOM 0 HG2 GLN A 126 20.858 22.920 13.133 1.00 30.76 H new ATOM 0 HG3 GLN A 126 20.567 24.052 12.101 1.00 30.76 H new ATOM 0 HE21 GLN A 126 20.637 21.442 11.224 1.00 37.68 H new ATOM 0 HE22 GLN A 126 21.804 21.260 10.316 1.00 37.68 H new ATOM 1007 N GLY A 127 20.705 27.423 13.762 1.00 18.26 N ATOM 1008 CA GLY A 127 19.884 28.516 13.296 1.00 16.49 C ATOM 1009 C GLY A 127 18.753 28.953 14.189 1.00 16.67 C ATOM 1010 O GLY A 127 17.902 29.755 13.706 1.00 17.66 O ATOM 0 H GLY A 127 21.492 27.683 13.992 1.00 18.26 H new ATOM 0 HA2 GLY A 127 20.460 29.281 13.143 1.00 16.49 H new ATOM 0 HA3 GLY A 127 19.510 28.266 12.437 1.00 16.49 H new ATOM 1011 N CYS A 128 18.699 28.544 15.442 1.00 13.34 N ATOM 1012 CA CYS A 128 17.616 28.904 16.339 1.00 13.74 C ATOM 1013 C CYS A 128 17.873 30.197 17.126 1.00 14.17 C ATOM 1014 O CYS A 128 16.968 30.638 17.852 1.00 14.02 O ATOM 1015 CB CYS A 128 17.307 27.744 17.334 1.00 11.96 C ATOM 1016 SG CYS A 128 16.913 26.188 16.470 1.00 11.88 S ATOM 0 H CYS A 128 19.298 28.043 15.802 1.00 13.34 H new ATOM 0 HA CYS A 128 16.849 29.065 15.768 1.00 13.74 H new ATOM 0 HB2 CYS A 128 18.071 27.606 17.915 1.00 11.96 H new ATOM 0 HB3 CYS A 128 16.561 27.996 17.901 1.00 11.96 H new ATOM 1017 N GLY A 129 19.067 30.730 17.022 1.00 15.77 N ATOM 1018 CA GLY A 129 19.450 31.965 17.720 1.00 16.90 C ATOM 1019 C GLY A 129 19.621 31.731 19.185 1.00 19.51 C ATOM 1020 O GLY A 129 19.383 32.646 20.011 1.00 21.63 O ATOM 0 H GLY A 129 19.696 30.392 16.542 1.00 15.77 H new ATOM 0 HA2 GLY A 129 20.277 32.307 17.346 1.00 16.90 H new ATOM 0 HA3 GLY A 129 18.772 32.644 17.576 1.00 16.90 H new ATOM 1021 N VAL A 130 20.021 30.547 19.602 1.00 19.85 N ATOM 1022 CA VAL A 130 20.236 30.260 21.031 1.00 21.71 C ATOM 1023 C VAL A 130 21.761 30.104 21.210 1.00 22.99 C ATOM 1024 O VAL A 130 22.455 29.945 20.185 1.00 24.28 O ATOM 1025 CB VAL A 130 19.454 29.051 21.531 1.00 21.58 C ATOM 1026 CG1 VAL A 130 17.950 29.198 21.434 1.00 21.15 C ATOM 1027 CG2 VAL A 130 19.893 27.797 20.750 1.00 21.82 C ATOM 1028 OXT VAL A 130 22.137 30.123 22.384 1.00 25.89 O ATOM 0 H VAL A 130 20.178 29.882 19.079 1.00 19.85 H new ATOM 0 HA VAL A 130 19.895 30.986 21.577 1.00 21.71 H new ATOM 0 HB VAL A 130 19.659 28.970 22.476 1.00 21.58 H new ATOM 0 HG11 VAL A 130 17.524 28.394 21.769 1.00 21.15 H new ATOM 0 HG12 VAL A 130 17.664 29.959 21.963 1.00 21.15 H new ATOM 0 HG13 VAL A 130 17.697 29.336 20.508 1.00 21.15 H new ATOM 0 HG21 VAL A 130 19.396 27.027 21.068 1.00 21.82 H new ATOM 0 HG22 VAL A 130 19.718 27.927 19.805 1.00 21.82 H new ATOM 0 HG23 VAL A 130 20.842 27.647 20.885 1.00 21.82 H new TER 1029 VAL A 130 HETATM 1030 O HOH A 131 12.314 19.198 13.240 1.00 26.44 O HETATM 1031 O HOH A 132 4.232 17.829 13.362 1.00 33.70 O HETATM 1032 O HOH A 133 12.101 25.324 13.824 1.00 13.56 O HETATM 1033 O HOH A 134 17.727 13.930 13.752 1.00 53.80 O HETATM 1034 O HOH A 135 10.519 20.850 14.075 1.00 19.66 O HETATM 1035 O HOH A 136 27.304 12.117 14.476 1.00 12.14 O HETATM 1036 O HOH A 137 14.863 17.977 14.909 1.00 15.40 O HETATM 1037 O HOH A 138 10.960 29.435 15.009 1.00 23.00 O HETATM 1038 O HOH A 139 8.381 19.418 15.229 1.00 21.41 O HETATM 1039 O HOH A 140 28.865 9.243 15.303 1.00 17.37 O HETATM 1040 O HOH A 141 3.945 21.956 15.762 1.00 33.43 O HETATM 1041 O HOH A 142 10.312 26.874 15.508 1.00 25.91 O HETATM 1042 O HOH A 143 7.886 16.584 15.294 1.00 35.64 O HETATM 1043 O HOH A 144 10.007 17.504 15.256 1.00 74.67 O HETATM 1044 O HOH A 145 21.787 12.686 16.955 1.00 23.77 O HETATM 1045 O HOH A 146 6.126 14.366 17.215 1.00 37.62 O HETATM 1046 O HOH A 147 21.475 28.473 17.631 1.00 23.91 O HETATM 1047 O HOH A 148 19.331 26.869 35.437 1.00 42.06 O HETATM 1048 O HOH A 149 28.065 18.601 18.942 1.00 34.13 O HETATM 1049 O HOH A 150 9.197 31.071 18.822 1.00 25.17 O HETATM 1050 O HOH A 151 14.161 6.384 19.364 1.00 47.55 O HETATM 1051 O HOH A 152 4.996 12.073 19.863 1.00 28.63 O HETATM 1052 O HOH A 153 24.980 7.712 20.431 1.00 19.97 O HETATM 1053 O HOH A 154 16.634 4.797 21.059 1.00 22.70 O HETATM 1054 O HOH A 155 4.647 8.936 21.459 1.00 29.24 O HETATM 1055 O HOH A 156 0.547 17.318 21.493 1.00 13.70 O HETATM 1056 O HOH A 157 -2.404 22.409 22.261 1.00 28.50 O HETATM 1057 O HOH A 158 26.592 21.311 22.417 1.00 23.20 O HETATM 1058 O HOH A 159 24.243 23.688 22.784 1.00 8.78 O HETATM 1059 O HOH A 160 9.762 6.713 23.351 1.00 55.81 O HETATM 1060 O HOH A 161 2.266 8.955 22.412 1.00 49.72 O HETATM 1061 O HOH A 162 26.779 5.463 23.273 1.00 27.69 O HETATM 1062 O HOH A 163 26.322 14.371 23.178 1.00 20.49 O HETATM 1063 O HOH A 164 -2.020 19.990 22.928 1.00 51.34 O HETATM 1064 O HOH A 165 4.616 5.251 23.658 1.00 38.82 O HETATM 1065 O HOH A 166 6.530 7.205 23.828 1.00 39.31 O HETATM 1066 O HOH A 167 15.594 32.112 24.633 1.00 23.44 O HETATM 1067 O HOH A 168 1.465 3.161 25.350 1.00 29.11 O HETATM 1068 O HOH A 169 4.100 25.763 25.746 1.00 28.86 O HETATM 1069 O HOH A 170 -3.048 25.117 25.473 1.00 39.62 O HETATM 1070 O HOH A 171 1.596 26.724 26.239 1.00 52.44 O HETATM 1071 O HOH A 172 9.302 6.183 26.088 1.00 29.50 O HETATM 1072 O HOH A 173 0.050 18.773 26.289 1.00 16.73 O HETATM 1073 O HOH A 174 15.054 6.356 27.112 1.00 12.38 O HETATM 1074 O HOH A 175 27.048 18.696 27.463 1.00 7.16 O HETATM 1075 O HOH A 176 -2.192 16.240 27.606 1.00 31.42 O HETATM 1076 O HOH A 177 5.884 26.358 27.901 1.00 27.82 O HETATM 1077 O HOH A 178 -0.382 5.049 28.496 1.00 42.21 O HETATM 1078 O HOH A 179 10.183 29.829 28.441 1.00 24.36 O HETATM 1079 O HOH A 180 7.746 29.096 28.497 1.00 38.36 O HETATM 1080 O HOH A 181 8.428 -3.094 28.918 1.00 40.86 O HETATM 1081 O HOH A 182 6.124 17.106 29.108 1.00 11.57 O HETATM 1082 O HOH A 183 12.105 7.169 29.813 1.00 33.39 O HETATM 1083 O HOH A 184 19.770 28.300 29.548 1.00 12.34 O HETATM 1084 O HOH A 185 -1.174 23.606 29.670 1.00 8.57 O HETATM 1085 O HOH A 186 4.867 19.527 29.441 1.00 17.65 O HETATM 1086 O HOH A 187 15.821 5.025 30.143 1.00 27.22 O HETATM 1087 O HOH A 188 8.300 14.963 30.292 1.00 7.21 O HETATM 1088 O HOH A 189 11.595 4.101 31.172 1.00 34.30 O HETATM 1089 O HOH A 190 -0.307 4.280 31.116 1.00 20.62 O HETATM 1090 O HOH A 191 23.120 28.652 14.227 1.00 30.97 O HETATM 1091 O HOH A 192 25.718 5.205 31.369 1.00 57.25 O HETATM 1092 O HOH A 193 -2.402 17.331 31.872 1.00 20.45 O HETATM 1093 O HOH A 194 6.819 30.053 32.189 1.00 23.99 O HETATM 1094 O HOH A 195 1.886 -4.958 32.386 1.00 32.66 O HETATM 1095 O HOH A 196 -1.140 6.715 32.367 1.00 25.42 O HETATM 1096 O HOH A 197 4.956 20.252 32.162 1.00 10.74 O HETATM 1097 O HOH A 198 -1.947 23.866 32.144 1.00 52.21 O HETATM 1098 O HOH A 199 15.647 8.553 32.852 1.00 33.75 O HETATM 1099 O HOH A 200 12.491 8.786 33.130 1.00 25.05 O HETATM 1100 O HOH A 201 -0.173 27.201 32.892 1.00 55.59 O HETATM 1101 O HOH A 202 17.941 4.504 33.417 1.00 48.73 O HETATM 1102 O HOH A 203 2.855 25.313 33.700 1.00 47.78 O HETATM 1103 O HOH A 204 4.959 28.492 34.581 1.00 35.11 O HETATM 1104 O HOH A 205 24.589 15.889 34.809 1.00 21.18 O HETATM 1105 O HOH A 206 1.920 3.416 35.074 1.00 11.17 O HETATM 1106 O HOH A 207 -2.074 18.832 35.113 1.00 22.43 O HETATM 1107 O HOH A 208 10.928 2.005 35.223 1.00 23.03 O HETATM 1108 O HOH A 209 10.833 25.264 35.137 1.00 22.41 O HETATM 1109 O HOH A 210 0.964 0.432 36.112 1.00 29.65 O HETATM 1110 O HOH A 211 13.508 25.074 36.566 1.00 22.68 O HETATM 1111 O HOH A 212 20.212 10.779 36.428 1.00 21.12 O HETATM 1112 O HOH A 213 24.068 23.759 36.991 1.00 27.19 O HETATM 1113 O HOH A 214 18.609 8.416 37.282 1.00 42.50 O HETATM 1114 O HOH A 215 26.244 22.913 37.495 1.00 38.55 O HETATM 1115 O HOH A 216 24.653 15.125 37.959 1.00 24.87 O HETATM 1116 O HOH A 217 21.663 8.044 38.946 1.00 39.97 O HETATM 1117 O HOH A 218 0.629 -3.844 39.140 1.00 44.71 O HETATM 1118 O HOH A 219 3.210 -1.815 45.350 1.00 27.27 O HETATM 1119 O HOH A 220 15.781 6.061 38.892 1.00 59.70 O HETATM 1120 O HOH A 221 13.788 24.182 39.312 1.00 34.43 O HETATM 1121 O HOH A 222 14.352 20.910 39.880 1.00 24.63 O HETATM 1122 O HOH A 223 9.782 19.021 40.050 1.00 38.36 O HETATM 1123 O HOH A 224 3.668 6.443 40.287 1.00 12.99 O HETATM 1124 O HOH A 225 1.115 18.315 40.465 1.00 5.00 O HETATM 1125 O HOH A 226 19.059 23.730 40.376 1.00 56.75 O HETATM 1126 O HOH A 227 5.861 7.411 41.058 1.00 10.30 O HETATM 1127 O HOH A 228 3.006 20.804 42.015 1.00 41.72 O HETATM 1128 O HOH A 229 2.396 4.686 42.022 1.00 16.75 O HETATM 1129 O HOH A 230 11.307 0.185 42.314 1.00 48.79 O HETATM 1130 O HOH A 231 -2.921 2.161 42.792 1.00 48.72 O HETATM 1131 O HOH A 232 5.895 20.027 42.829 1.00 30.82 O HETATM 1132 O HOH A 233 0.048 13.159 42.817 1.00 5.00 O HETATM 1133 O HOH A 234 10.631 3.490 43.196 1.00 41.64 O HETATM 1134 O HOH A 235 4.667 7.429 43.144 1.00 18.82 O HETATM 1135 O HOH A 236 1.205 1.001 42.849 1.00 51.03 O HETATM 1136 O HOH A 237 0.266 17.630 43.410 1.00 25.45 O HETATM 1137 O HOH A 238 24.530 25.742 24.343 1.00 31.07 O HETATM 1138 O HOH A 239 2.566 14.985 43.769 1.00 23.31 O HETATM 1139 O HOH A 240 1.727 5.819 44.314 1.00 36.48 O HETATM 1140 O HOH A 241 13.348 14.572 45.639 1.00 33.13 O HETATM 1141 O HOH A 242 4.648 7.893 45.794 1.00 27.41 O HETATM 1142 O HOH A 243 3.497 10.814 46.080 1.00 24.40 O HETATM 1143 O HOH A 244 14.017 9.375 45.941 1.00 53.98 O HETATM 1144 O HOH A 245 9.634 0.257 46.123 1.00 61.40 O CONECT 53 1016 CONECT 243 915 CONECT 534 642 CONECT 612 737 CONECT 642 534 CONECT 737 612 CONECT 915 243 CONECT 1016 53 END