USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER DE NOVO PROTEIN 27-MAR-11 3RA3 TITLE CRYSTAL STRUCTURE OF A SECTION OF A DE NOVO DESIGN GIGADALTON PROTEIN TITLE 2 FIBRE COMPND MOL_ID: 1; COMPND 2 MOLECULE: P1C; COMPND 3 CHAIN: A, E; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: P2F; COMPND 7 CHAIN: B, D; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: PEPTIDE SYNTHESIS WAS CARRIED OUT ACCORDING TO SOURCE 4 STANDARD FMOC SPPS PROTOCOLS; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: PEPTIDE SYNTHESIS WAS CARRIED OUT ACCORDING TO SOURCE 8 STANDARD FMOC SPPS PROTOCOLS KEYWDS COILED COIL DOMAIN, FIBER, KIH INTERACTIONS, SYNTHETIC BIOLOGY, KEYWDS 2 HELICAL RECONSTRUCTION, DE NOVO PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR N.R.ZACCAI,T.H.SHARP,M.BRUNING,D.N.WOOLFSON,R.L.BRADY REVDAT 2 19-JUN-13 3RA3 1 JRNL REVDAT 1 08-AUG-12 3RA3 0 JRNL AUTH T.H.SHARP,M.BRUNING,J.MANTELL,R.B.SESSIONS,A.R.THOMSON, JRNL AUTH 2 N.R.ZACCAI,R.L.BRADY,P.VERKADE,D.N.WOOLFSON JRNL TITL CRYO-TRANSMISSION ELECTRON MICROSCOPY STRUCTURE OF A JRNL TITL 2 GIGADALTON PEPTIDE FIBER OF DE NOVO DESIGN JRNL REF PROC.NATL.ACAD.SCI.USA V. 109 13266 2012 JRNL REFN ISSN 0027-8424 JRNL PMID 22847414 JRNL DOI 10.1073/PNAS.1118622109 REMARK 2 REMARK 2 RESOLUTION. 2.31 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0109 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.31 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.54 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 6762 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.194 REMARK 3 R VALUE (WORKING SET) : 0.188 REMARK 3 FREE R VALUE : 0.248 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.400 REMARK 3 FREE R VALUE TEST SET COUNT : 701 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.31 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.37 REMARK 3 REFLECTION IN BIN (WORKING SET) : 464 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.53 REMARK 3 BIN R VALUE (WORKING SET) : 0.2310 REMARK 3 BIN FREE R VALUE SET COUNT : 49 REMARK 3 BIN FREE R VALUE : 0.3640 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 857 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 34 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 45.75 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 5.04000 REMARK 3 B22 (A**2) : 5.04000 REMARK 3 B33 (A**2) : -10.08000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): 0.047 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.166 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.058 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.945 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.902 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 857 ; 0.020 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1140 ; 1.816 ; 2.030 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 102 ; 6.526 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 42 ;38.388 ;26.667 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 188 ;21.487 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 6 ;10.957 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 133 ; 0.104 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 606 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 526 ; 1.030 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 827 ; 2.034 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 331 ; 3.561 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 313 ; 6.262 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TWIN DETAILS REMARK 3 NUMBER OF TWIN DOMAINS : 2 REMARK 3 TWIN DOMAIN : 1 REMARK 3 TWIN OPERATOR : H, K, L REMARK 3 TWIN FRACTION : 0.819 REMARK 3 TWIN DOMAIN : 2 REMARK 3 TWIN OPERATOR : H+K, -K, -L REMARK 3 TWIN FRACTION : 0.181 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: U VALUES: REFINED INDIVIDUALLY REMARK 4 REMARK 4 3RA3 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-APR-11. REMARK 100 THE RCSB ID CODE IS RCSB064679. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DIAMOND REMARK 200 BEAMLINE : I04 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.7 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 : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6777 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.300 REMARK 200 RESOLUTION RANGE LOW (A) : 25.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 8.200 REMARK 200 R MERGE (I) : 0.10200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 21.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.38 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.8 REMARK 200 DATA REDUNDANCY IN SHELL : 5.00 REMARK 200 R MERGE FOR SHELL (I) : 0.60600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.950 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SHELXD REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 58.94 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.00 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M ZINC ACETATE, 0.1M SODIUM REMARK 280 ACETATE, 10%(W/V) PEG 3K, PH 4.5, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.06200 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 22.53100 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1390 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 4400 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1400 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 4500 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -13.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, D 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LYS B 1 REMARK 465 ILE B 2 REMARK 465 GLN B 28 REMARK 465 LYS D 1 REMARK 465 LYS E 27 REMARK 465 GLN E 28 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER E 25 66.18 -160.65 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA E 29 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU E 6 OE2 REMARK 620 2 GLU E 6 OE1 55.2 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA E 29 DBREF 3RA3 A 1 28 PDB 3RA3 3RA3 1 28 DBREF 3RA3 E 1 28 PDB 3RA3 3RA3 1 28 DBREF 3RA3 B 1 28 PDB 3RA3 3RA3 1 28 DBREF 3RA3 D 1 28 PDB 3RA3 3RA3 1 28 SEQRES 1 A 28 GLU ILE ASP ALA LEU GLU PHI GLU ASN ASP ALA LEU GLU SEQRES 2 A 28 GLN LYS ILE ALA ALA LEU LYS GLN LYS ILE ALA SER LEU SEQRES 3 A 28 LYS GLN SEQRES 1 B 28 LYS ILE ARG ARG LEU LYS GLN LYS ASN ALA ARG LEU LYS SEQRES 2 B 28 GLN GLU ILE ALA ALA LEU GLU TYR GLU ILE ALA ALA LEU SEQRES 3 B 28 GLU GLN SEQRES 1 D 28 LYS ILE ARG ARG LEU LYS GLN LYS ASN ALA ARG LEU LYS SEQRES 2 D 28 GLN GLU ILE ALA ALA LEU GLU TYR GLU ILE ALA ALA LEU SEQRES 3 D 28 GLU GLN SEQRES 1 E 28 GLU ILE ASP ALA LEU GLU PHI GLU ASN ASP ALA LEU GLU SEQRES 2 E 28 GLN LYS ILE ALA ALA LEU LYS GLN LYS ILE ALA SER LEU SEQRES 3 E 28 LYS GLN MODRES 3RA3 PHI A 7 PHE IODO-PHENYLALANINE MODRES 3RA3 PHI E 7 PHE IODO-PHENYLALANINE HET PHI A 7 12 HET PHI E 7 12 HET NA E 29 1 HETNAM PHI IODO-PHENYLALANINE HETNAM NA SODIUM ION FORMUL 1 PHI 2(C9 H10 I N O2) FORMUL 5 NA NA 1+ FORMUL 6 HOH *34(H2 O) HELIX 1 1 ASP A 3 GLN A 28 1 26 HELIX 2 2 ARG B 3 GLU B 27 1 25 HELIX 3 3 ILE D 2 GLU D 27 1 26 HELIX 4 4 ALA E 4 ILE E 23 1 20 LINK C GLU A 6 N PHI A 7 1555 1555 1.32 LINK C PHI A 7 N GLU A 8 1555 1555 1.33 LINK C GLU E 6 N PHI E 7 1555 1555 1.32 LINK C PHI E 7 N GLU E 8 1555 1555 1.33 LINK OE2 GLU E 6 NA NA E 29 1555 1555 2.27 LINK OE1 GLU E 6 NA NA E 29 1555 1555 2.44 CISPEP 1 GLU E 1 ILE E 2 0 9.59 CISPEP 2 SER E 25 LEU E 26 0 -17.16 SITE *** AC1 3 GLU A 6 ASP A 10 GLU E 6 CRYST1 45.082 45.082 67.593 90.00 90.00 120.00 P 32 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.022182 0.012807 0.000000 0.00000 SCALE2 0.000000 0.025613 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014794 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 7 PHI H2 : A 7 PHI N : A 6 GLU C :(H bumps) USER MOD NoAdj-H: E 7 PHI H2 : E 7 PHI N : E 6 GLU C :(H bumps) USER MOD Set 1.1: D 9 ASN : amide:sc= 0.888 K(o=1.6,f=-0.64) USER MOD Set 1.2: D 13 LYS NZ :NH3+ 144:sc= 0.0409 (180deg=0) USER MOD Set 1.3: E 9 ASN : amide:sc= 0.712 K(o=1.6,f=-2.6) USER MOD Set 2.1: A 9 ASN : amide:sc= -2.67 K(o=-4.5,f=2.3) USER MOD Set 2.2: B 9 ASN : amide:sc= -1 K(o=-4.5,f=2.3) USER MOD Set 2.3: B 13 LYS NZ :NH3+ -146:sc= -0.776 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 145:sc= 0.0457 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0.0196 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -1.11 (180deg=-2.37!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 22 LYS NZ :NH3+ 148:sc= -0.457 (180deg=-1.78!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 8 LYS NZ :NH3+ 143:sc= -1.82 (180deg=-3.69!) USER MOD Single : B 14 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.16) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : D 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 7 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.89) USER MOD Single : D 8 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.765) USER MOD Single : D 14 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.0025) USER MOD Single : D 21 TYR OH : rot 180:sc= 0 USER MOD Single : D 28 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : E 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 14 GLN : amide:sc= -0.0711 X(o=-0.071,f=-0.071) USER MOD Single : E 15 LYS NZ :NH3+ 161:sc= 0.0269 (180deg=0.00857) USER MOD Single : E 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 21 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : E 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 25 SER OG : rot -18:sc= 0.857 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.520 46.852 43.325 1.00 45.20 N ATOM 2 CA GLU A 1 2.544 45.998 43.965 1.00 44.14 C ATOM 3 C GLU A 1 3.549 45.700 42.877 1.00 43.45 C ATOM 4 O GLU A 1 3.152 45.369 41.741 1.00 43.15 O ATOM 5 CB GLU A 1 1.922 44.690 44.502 1.00 44.51 C ATOM 6 CG GLU A 1 2.751 43.434 44.150 1.00 46.27 C ATOM 7 CD GLU A 1 2.392 42.147 44.888 1.00 50.67 C ATOM 8 OE1 GLU A 1 2.700 42.061 46.081 1.00 50.59 O ATOM 9 OE2 GLU A 1 1.859 41.180 44.266 1.00 54.78 O ATOM 0 H1 GLU A 1 0.720 46.664 43.667 1.00 45.20 H new ATOM 0 H2 GLU A 1 1.712 47.708 43.474 1.00 45.20 H new ATOM 0 H3 GLU A 1 1.511 46.699 42.448 1.00 45.20 H new ATOM 0 HA GLU A 1 2.951 46.440 44.727 1.00 44.14 H new ATOM 0 HB2 GLU A 1 1.833 44.753 45.466 1.00 44.51 H new ATOM 0 HB3 GLU A 1 1.027 44.592 44.141 1.00 44.51 H new ATOM 0 HG2 GLU A 1 2.665 43.271 43.198 1.00 46.27 H new ATOM 0 HG3 GLU A 1 3.685 43.630 44.321 1.00 46.27 H new ATOM 10 N ILE A 2 4.840 45.851 43.186 1.00 42.17 N ATOM 11 CA ILE A 2 5.878 45.282 42.316 1.00 40.73 C ATOM 12 C ILE A 2 5.782 43.776 42.527 1.00 40.84 C ATOM 13 O ILE A 2 5.898 43.284 43.652 1.00 40.34 O ATOM 14 CB ILE A 2 7.301 45.747 42.662 1.00 40.40 C ATOM 15 CG1 ILE A 2 7.467 47.282 42.513 1.00 39.10 C ATOM 16 CG2 ILE A 2 8.347 44.933 41.825 1.00 39.77 C ATOM 17 CD1 ILE A 2 8.782 47.861 43.179 1.00 34.76 C ATOM 0 H ILE A 2 5.132 46.269 43.878 1.00 42.17 H new ATOM 0 HA ILE A 2 5.728 45.568 41.401 1.00 40.73 H new ATOM 0 HB ILE A 2 7.467 45.563 43.600 1.00 40.40 H new ATOM 0 HG12 ILE A 2 7.469 47.507 41.569 1.00 39.10 H new ATOM 0 HG13 ILE A 2 6.697 47.720 42.908 1.00 39.10 H new ATOM 0 HG21 ILE A 2 9.243 45.231 42.048 1.00 39.77 H new ATOM 0 HG22 ILE A 2 8.261 43.989 42.029 1.00 39.77 H new ATOM 0 HG23 ILE A 2 8.186 45.075 40.879 1.00 39.77 H new ATOM 0 HD11 ILE A 2 8.817 48.821 43.046 1.00 34.76 H new ATOM 0 HD12 ILE A 2 8.776 47.667 44.129 1.00 34.76 H new ATOM 0 HD13 ILE A 2 9.560 47.450 42.770 1.00 34.76 H new ATOM 18 N ASP A 3 5.533 43.048 41.452 1.00 41.15 N ATOM 19 CA ASP A 3 5.239 41.645 41.566 1.00 42.50 C ATOM 20 C ASP A 3 6.507 40.843 41.877 1.00 41.91 C ATOM 21 O ASP A 3 7.586 41.195 41.409 1.00 41.78 O ATOM 22 CB ASP A 3 4.601 41.163 40.263 1.00 42.80 C ATOM 23 CG ASP A 3 3.842 39.867 40.441 1.00 48.11 C ATOM 24 OD1 ASP A 3 4.299 38.851 39.869 1.00 53.55 O ATOM 25 OD2 ASP A 3 2.802 39.844 41.173 1.00 52.69 O ATOM 0 H ASP A 3 5.531 43.353 40.648 1.00 41.15 H new ATOM 0 HA ASP A 3 4.620 41.507 42.300 1.00 42.50 H new ATOM 0 HB2 ASP A 3 3.998 41.845 39.929 1.00 42.80 H new ATOM 0 HB3 ASP A 3 5.292 41.042 39.593 1.00 42.80 H new ATOM 26 N ALA A 4 6.354 39.740 42.601 1.00 42.06 N ATOM 27 CA ALA A 4 7.466 38.784 42.851 1.00 42.40 C ATOM 28 C ALA A 4 8.209 38.324 41.587 1.00 42.63 C ATOM 29 O ALA A 4 9.432 38.115 41.607 1.00 43.37 O ATOM 30 CB ALA A 4 6.959 37.596 43.661 1.00 42.32 C ATOM 0 H ALA A 4 5.610 39.513 42.967 1.00 42.06 H new ATOM 0 HA ALA A 4 8.131 39.270 43.363 1.00 42.40 H new ATOM 0 HB1 ALA A 4 7.689 36.977 43.820 1.00 42.32 H new ATOM 0 HB2 ALA A 4 6.610 37.909 44.510 1.00 42.32 H new ATOM 0 HB3 ALA A 4 6.255 37.145 43.169 1.00 42.32 H new ATOM 31 N LEU A 5 7.510 38.229 40.460 1.00 43.55 N ATOM 32 CA LEU A 5 8.203 37.945 39.171 1.00 43.07 C ATOM 33 C LEU A 5 9.040 39.076 38.609 1.00 42.71 C ATOM 34 O LEU A 5 9.948 38.805 37.819 1.00 43.16 O ATOM 35 CB LEU A 5 7.222 37.500 38.085 1.00 43.92 C ATOM 36 CG LEU A 5 6.927 36.015 37.996 1.00 45.42 C ATOM 37 CD1 LEU A 5 6.936 35.400 39.420 1.00 50.70 C ATOM 38 CD2 LEU A 5 5.597 35.849 37.342 1.00 46.69 C ATOM 0 H LEU A 5 6.657 38.320 40.404 1.00 43.55 H new ATOM 0 HA LEU A 5 8.815 37.231 39.410 1.00 43.07 H new ATOM 0 HB2 LEU A 5 6.383 37.967 38.226 1.00 43.92 H new ATOM 0 HB3 LEU A 5 7.568 37.791 37.227 1.00 43.92 H new ATOM 0 HG LEU A 5 7.601 35.555 37.471 1.00 45.42 H new ATOM 0 HD11 LEU A 5 6.747 34.450 39.364 1.00 50.70 H new ATOM 0 HD12 LEU A 5 7.808 35.533 39.825 1.00 50.70 H new ATOM 0 HD13 LEU A 5 6.259 35.832 39.964 1.00 50.70 H new ATOM 0 HD21 LEU A 5 5.385 34.905 37.273 1.00 46.69 H new ATOM 0 HD22 LEU A 5 4.918 36.294 37.872 1.00 46.69 H new ATOM 0 HD23 LEU A 5 5.622 36.240 36.454 1.00 46.69 H new ATOM 39 N GLU A 6 8.767 40.328 38.976 1.00 41.21 N ATOM 40 CA GLU A 6 9.656 41.406 38.545 1.00 40.53 C ATOM 41 C GLU A 6 10.993 41.265 39.242 1.00 40.16 C ATOM 42 O GLU A 6 12.039 41.432 38.644 1.00 41.93 O ATOM 43 CB GLU A 6 9.030 42.778 38.821 1.00 40.63 C ATOM 44 CG GLU A 6 9.965 43.937 38.510 1.00 39.02 C ATOM 45 CD GLU A 6 10.223 44.205 36.985 1.00 43.23 C ATOM 46 OE1 GLU A 6 11.152 45.030 36.696 1.00 39.59 O ATOM 47 OE2 GLU A 6 9.516 43.634 36.099 1.00 37.53 O ATOM 0 H GLU A 6 8.096 40.569 39.457 1.00 41.21 H new ATOM 0 HA GLU A 6 9.793 41.340 37.587 1.00 40.53 H new ATOM 0 HB2 GLU A 6 8.222 42.871 38.292 1.00 40.63 H new ATOM 0 HB3 GLU A 6 8.765 42.825 39.753 1.00 40.63 H new ATOM 0 HG2 GLU A 6 9.599 44.743 38.907 1.00 39.02 H new ATOM 0 HG3 GLU A 6 10.817 43.770 38.942 1.00 39.02 H new HETATM 48 N PHI A 7 10.951 40.987 40.533 1.00 39.82 N HETATM 49 CA PHI A 7 12.142 40.607 41.280 1.00 38.83 C HETATM 50 CB PHI A 7 11.756 40.180 42.726 1.00 38.15 C HETATM 51 CG PHI A 7 11.503 41.499 43.437 1.00 37.66 C HETATM 52 CD1 PHI A 7 12.609 42.250 43.820 1.00 36.56 C HETATM 53 CD2 PHI A 7 10.206 41.987 43.699 1.00 36.46 C HETATM 54 CE1 PHI A 7 12.456 43.486 44.464 1.00 39.85 C HETATM 55 CE2 PHI A 7 10.073 43.242 44.367 1.00 40.17 C HETATM 56 CZ PHI A 7 11.196 43.997 44.760 1.00 41.75 C HETATM 57 I PHI A 7 11.085 45.928 45.706 1.00 57.37 I HETATM 58 C PHI A 7 12.894 39.498 40.616 1.00 37.81 C HETATM 59 O PHI A 7 14.069 39.636 40.357 1.00 36.43 O HETATM 0 HE2 PHI A 7 9.185 43.584 44.555 1.00 40.17 H new HETATM 0 HE1 PHI A 7 13.245 43.995 44.708 1.00 39.85 H new HETATM 0 HD2 PHI A 7 9.422 41.482 43.432 1.00 36.46 H new HETATM 0 HD1 PHI A 7 13.500 41.913 43.639 1.00 36.56 H new HETATM 0 HB3 PHI A 7 10.967 39.615 42.732 1.00 38.15 H new HETATM 0 HB2 PHI A 7 12.468 39.677 43.151 1.00 38.15 H new HETATM 0 HA PHI A 7 12.722 41.384 41.309 1.00 38.83 H new HETATM 0 H PHI A 7 10.178 40.953 40.909 1.00 39.82 H new ATOM 60 N GLU A 8 12.215 38.381 40.367 1.00 37.37 N ATOM 61 CA GLU A 8 12.847 37.210 39.792 1.00 38.29 C ATOM 62 C GLU A 8 13.343 37.534 38.367 1.00 37.19 C ATOM 63 O GLU A 8 14.490 37.278 38.042 1.00 37.30 O ATOM 64 CB GLU A 8 11.922 35.963 39.853 1.00 38.90 C ATOM 65 CG GLU A 8 12.598 34.650 39.291 1.00 42.10 C ATOM 66 CD GLU A 8 11.648 33.439 39.259 1.00 45.05 C ATOM 67 OE1 GLU A 8 11.018 33.118 40.282 1.00 49.75 O ATOM 68 OE2 GLU A 8 11.502 32.807 38.198 1.00 45.54 O ATOM 0 H GLU A 8 11.376 38.286 40.528 1.00 37.37 H new ATOM 0 HA GLU A 8 13.623 36.975 40.325 1.00 38.29 H new ATOM 0 HB2 GLU A 8 11.654 35.812 40.773 1.00 38.90 H new ATOM 0 HB3 GLU A 8 11.114 36.144 39.348 1.00 38.90 H new ATOM 0 HG2 GLU A 8 12.924 34.821 38.393 1.00 42.10 H new ATOM 0 HG3 GLU A 8 13.370 34.433 39.837 1.00 42.10 H new ATOM 69 N ASN A 9 12.529 38.178 37.552 1.00 36.56 N ATOM 70 CA ASN A 9 13.017 38.588 36.202 1.00 35.67 C ATOM 71 C ASN A 9 14.271 39.476 36.223 1.00 36.55 C ATOM 72 O ASN A 9 15.199 39.262 35.463 1.00 36.81 O ATOM 73 CB ASN A 9 11.916 39.221 35.360 1.00 34.72 C ATOM 74 CG ASN A 9 10.816 38.248 34.962 1.00 33.30 C ATOM 75 OD1 ASN A 9 9.811 38.670 34.368 1.00 34.24 O ATOM 76 ND2 ASN A 9 10.969 36.959 35.284 1.00 28.30 N ATOM 0 H ASN A 9 11.715 38.391 37.732 1.00 36.56 H new ATOM 0 HA ASN A 9 13.287 37.757 35.780 1.00 35.67 H new ATOM 0 HB2 ASN A 9 11.523 39.956 35.856 1.00 34.72 H new ATOM 0 HB3 ASN A 9 12.310 39.598 34.558 1.00 34.72 H new ATOM 0 HD21 ASN A 9 10.358 36.389 35.079 1.00 28.30 H new ATOM 0 HD22 ASN A 9 11.678 36.700 35.696 1.00 28.30 H new ATOM 77 N ASP A 10 14.316 40.466 37.107 1.00 37.49 N ATOM 78 CA ASP A 10 15.508 41.311 37.254 1.00 37.71 C ATOM 79 C ASP A 10 16.780 40.608 37.767 1.00 37.20 C ATOM 80 O ASP A 10 17.887 40.889 37.316 1.00 37.45 O ATOM 81 CB ASP A 10 15.136 42.522 38.103 1.00 39.24 C ATOM 82 CG ASP A 10 14.381 43.586 37.284 1.00 44.10 C ATOM 83 OD1 ASP A 10 14.088 43.307 36.085 1.00 40.84 O ATOM 84 OD2 ASP A 10 14.101 44.708 37.831 1.00 46.78 O ATOM 0 H ASP A 10 13.668 40.669 37.635 1.00 37.49 H new ATOM 0 HA ASP A 10 15.769 41.580 36.359 1.00 37.71 H new ATOM 0 HB2 ASP A 10 14.585 42.237 38.849 1.00 39.24 H new ATOM 0 HB3 ASP A 10 15.940 42.913 38.478 1.00 39.24 H new ATOM 85 N ALA A 11 16.637 39.667 38.690 1.00 37.14 N ATOM 86 CA ALA A 11 17.740 38.796 39.023 1.00 37.00 C ATOM 87 C ALA A 11 18.226 37.918 37.798 1.00 37.69 C ATOM 88 O ALA A 11 19.426 37.787 37.568 1.00 36.59 O ATOM 89 CB ALA A 11 17.385 37.939 40.251 1.00 37.06 C ATOM 0 H ALA A 11 15.913 39.521 39.130 1.00 37.14 H new ATOM 0 HA ALA A 11 18.498 39.357 39.250 1.00 37.00 H new ATOM 0 HB1 ALA A 11 18.131 37.358 40.467 1.00 37.06 H new ATOM 0 HB2 ALA A 11 17.197 38.518 41.006 1.00 37.06 H new ATOM 0 HB3 ALA A 11 16.602 37.400 40.055 1.00 37.06 H new ATOM 90 N LEU A 12 17.285 37.394 37.000 1.00 38.00 N ATOM 91 CA LEU A 12 17.593 36.560 35.816 1.00 38.56 C ATOM 92 C LEU A 12 18.311 37.330 34.736 1.00 39.49 C ATOM 93 O LEU A 12 19.234 36.802 34.122 1.00 40.08 O ATOM 94 CB LEU A 12 16.340 35.869 35.250 1.00 37.38 C ATOM 95 CG LEU A 12 15.531 35.025 36.233 1.00 38.68 C ATOM 96 CD1 LEU A 12 14.223 34.460 35.625 1.00 36.30 C ATOM 97 CD2 LEU A 12 16.384 33.886 36.913 1.00 38.26 C ATOM 0 H LEU A 12 16.443 37.511 37.128 1.00 38.00 H new ATOM 0 HA LEU A 12 18.197 35.869 36.130 1.00 38.56 H new ATOM 0 HB2 LEU A 12 15.756 36.551 34.882 1.00 37.38 H new ATOM 0 HB3 LEU A 12 16.612 35.300 34.513 1.00 37.38 H new ATOM 0 HG LEU A 12 15.269 35.643 36.933 1.00 38.68 H new ATOM 0 HD11 LEU A 12 13.755 33.936 36.294 1.00 36.30 H new ATOM 0 HD12 LEU A 12 13.657 35.193 35.336 1.00 36.30 H new ATOM 0 HD13 LEU A 12 14.436 33.897 34.864 1.00 36.30 H new ATOM 0 HD21 LEU A 12 15.824 33.383 37.525 1.00 38.26 H new ATOM 0 HD22 LEU A 12 16.732 33.291 36.231 1.00 38.26 H new ATOM 0 HD23 LEU A 12 17.122 34.282 37.403 1.00 38.26 H new ATOM 98 N GLU A 13 17.925 38.582 34.519 1.00 41.14 N ATOM 99 CA GLU A 13 18.661 39.491 33.598 1.00 43.06 C ATOM 100 C GLU A 13 20.097 39.780 34.043 1.00 43.52 C ATOM 101 O GLU A 13 21.032 39.686 33.232 1.00 44.99 O ATOM 102 CB GLU A 13 17.867 40.784 33.333 1.00 43.93 C ATOM 103 CG GLU A 13 16.476 40.516 32.688 1.00 49.15 C ATOM 104 CD GLU A 13 15.845 41.736 32.000 1.00 56.79 C ATOM 105 OE1 GLU A 13 16.529 42.403 31.175 1.00 61.41 O ATOM 106 OE2 GLU A 13 14.648 42.024 32.260 1.00 57.93 O ATOM 0 H GLU A 13 17.237 38.940 34.891 1.00 41.14 H new ATOM 0 HA GLU A 13 18.743 39.015 32.757 1.00 43.06 H new ATOM 0 HB2 GLU A 13 17.745 41.261 34.169 1.00 43.93 H new ATOM 0 HB3 GLU A 13 18.383 41.362 32.750 1.00 43.93 H new ATOM 0 HG2 GLU A 13 16.567 39.803 32.037 1.00 49.15 H new ATOM 0 HG3 GLU A 13 15.870 40.197 33.375 1.00 49.15 H new ATOM 107 N GLN A 14 20.291 40.104 35.320 1.00 43.23 N ATOM 108 CA GLN A 14 21.640 40.188 35.910 1.00 43.35 C ATOM 109 C GLN A 14 22.432 38.925 35.584 1.00 42.40 C ATOM 110 O GLN A 14 23.537 38.996 35.032 1.00 42.50 O ATOM 111 CB GLN A 14 21.582 40.440 37.453 1.00 44.74 C ATOM 112 CG GLN A 14 22.883 40.165 38.229 1.00 48.43 C ATOM 113 CD GLN A 14 23.137 41.159 39.410 1.00 57.48 C ATOM 114 OE1 GLN A 14 23.028 42.404 39.253 1.00 59.03 O ATOM 115 NE2 GLN A 14 23.502 40.608 40.582 1.00 56.38 N ATOM 0 H GLN A 14 19.654 40.281 35.870 1.00 43.23 H new ATOM 0 HA GLN A 14 22.095 40.949 35.518 1.00 43.35 H new ATOM 0 HB2 GLN A 14 21.326 41.363 37.603 1.00 44.74 H new ATOM 0 HB3 GLN A 14 20.879 39.886 37.827 1.00 44.74 H new ATOM 0 HG2 GLN A 14 22.856 39.261 38.579 1.00 48.43 H new ATOM 0 HG3 GLN A 14 23.632 40.209 37.614 1.00 48.43 H new ATOM 0 HE21 GLN A 14 23.566 39.753 40.654 1.00 56.38 H new ATOM 0 HE22 GLN A 14 23.671 41.110 41.259 1.00 56.38 H new ATOM 116 N LYS A 15 21.870 37.774 35.917 1.00 40.89 N ATOM 117 CA LYS A 15 22.551 36.516 35.650 1.00 40.48 C ATOM 118 C LYS A 15 22.930 36.368 34.167 1.00 39.77 C ATOM 119 O LYS A 15 24.043 35.997 33.849 1.00 39.80 O ATOM 120 CB LYS A 15 21.719 35.342 36.166 1.00 40.78 C ATOM 121 CG LYS A 15 22.312 33.994 35.818 1.00 40.65 C ATOM 122 CD LYS A 15 21.996 32.948 36.897 1.00 43.79 C ATOM 123 CE LYS A 15 22.853 31.667 36.749 1.00 43.33 C ATOM 124 NZ LYS A 15 21.958 30.506 37.130 1.00 45.13 N ATOM 0 H LYS A 15 21.101 37.698 36.295 1.00 40.89 H new ATOM 0 HA LYS A 15 23.390 36.516 36.136 1.00 40.48 H new ATOM 0 HB2 LYS A 15 21.634 35.412 37.130 1.00 40.78 H new ATOM 0 HB3 LYS A 15 20.824 35.400 35.797 1.00 40.78 H new ATOM 0 HG2 LYS A 15 21.963 33.696 34.964 1.00 40.65 H new ATOM 0 HG3 LYS A 15 23.273 34.078 35.718 1.00 40.65 H new ATOM 0 HD2 LYS A 15 22.147 33.336 37.773 1.00 43.79 H new ATOM 0 HD3 LYS A 15 21.056 32.712 36.850 1.00 43.79 H new ATOM 0 HE2 LYS A 15 23.176 31.570 35.839 1.00 43.33 H new ATOM 0 HE3 LYS A 15 23.633 31.705 37.324 1.00 43.33 H new ATOM 0 HZ1 LYS A 15 22.321 29.745 36.844 1.00 45.13 H new ATOM 0 HZ2 LYS A 15 21.869 30.478 38.015 1.00 45.13 H new ATOM 0 HZ3 LYS A 15 21.158 30.612 36.755 1.00 45.13 H new ATOM 125 N ILE A 16 22.011 36.692 33.272 1.00 39.41 N ATOM 126 CA ILE A 16 22.288 36.731 31.841 1.00 39.76 C ATOM 127 C ILE A 16 23.496 37.610 31.437 1.00 41.27 C ATOM 128 O ILE A 16 24.382 37.170 30.663 1.00 42.97 O ATOM 129 CB ILE A 16 21.033 37.160 31.076 1.00 38.31 C ATOM 130 CG1 ILE A 16 20.083 35.959 31.023 1.00 38.26 C ATOM 131 CG2 ILE A 16 21.394 37.672 29.687 1.00 36.66 C ATOM 132 CD1 ILE A 16 18.694 36.210 30.536 1.00 32.61 C ATOM 0 H ILE A 16 21.201 36.898 33.477 1.00 39.41 H new ATOM 0 HA ILE A 16 22.540 35.826 31.598 1.00 39.76 H new ATOM 0 HB ILE A 16 20.591 37.896 31.528 1.00 38.31 H new ATOM 0 HG12 ILE A 16 20.484 35.283 30.454 1.00 38.26 H new ATOM 0 HG13 ILE A 16 20.026 35.581 31.915 1.00 38.26 H new ATOM 0 HG21 ILE A 16 20.587 37.938 29.220 1.00 36.66 H new ATOM 0 HG22 ILE A 16 21.987 38.435 29.767 1.00 36.66 H new ATOM 0 HG23 ILE A 16 21.839 36.969 29.188 1.00 36.66 H new ATOM 0 HD11 ILE A 16 18.192 35.380 30.548 1.00 32.61 H new ATOM 0 HD12 ILE A 16 18.261 36.858 31.113 1.00 32.61 H new ATOM 0 HD13 ILE A 16 18.726 36.555 29.630 1.00 32.61 H new ATOM 133 N ALA A 17 23.526 38.841 31.935 1.00 41.69 N ATOM 134 CA ALA A 17 24.625 39.749 31.628 1.00 42.81 C ATOM 135 C ALA A 17 25.931 39.167 32.126 1.00 42.61 C ATOM 136 O ALA A 17 26.977 39.319 31.465 1.00 42.82 O ATOM 137 CB ALA A 17 24.399 41.162 32.250 1.00 43.01 C ATOM 0 H ALA A 17 22.922 39.169 32.451 1.00 41.69 H new ATOM 0 HA ALA A 17 24.662 39.853 30.664 1.00 42.81 H new ATOM 0 HB1 ALA A 17 25.147 41.738 32.026 1.00 43.01 H new ATOM 0 HB2 ALA A 17 23.580 41.544 31.897 1.00 43.01 H new ATOM 0 HB3 ALA A 17 24.329 41.084 33.214 1.00 43.01 H new ATOM 138 N ALA A 18 25.879 38.502 33.272 1.00 41.79 N ATOM 139 CA ALA A 18 27.091 37.892 33.827 1.00 42.22 C ATOM 140 C ALA A 18 27.535 36.633 33.031 1.00 42.49 C ATOM 141 O ALA A 18 28.731 36.362 32.905 1.00 42.03 O ATOM 142 CB ALA A 18 26.908 37.577 35.286 1.00 42.09 C ATOM 0 H ALA A 18 25.167 38.390 33.741 1.00 41.79 H new ATOM 0 HA ALA A 18 27.805 38.542 33.741 1.00 42.22 H new ATOM 0 HB1 ALA A 18 27.719 37.175 35.635 1.00 42.09 H new ATOM 0 HB2 ALA A 18 26.718 38.394 35.772 1.00 42.09 H new ATOM 0 HB3 ALA A 18 26.169 36.958 35.393 1.00 42.09 H new ATOM 143 N LEU A 19 26.583 35.869 32.483 1.00 42.35 N ATOM 144 CA LEU A 19 26.981 34.729 31.632 1.00 42.28 C ATOM 145 C LEU A 19 27.530 35.169 30.256 1.00 42.04 C ATOM 146 O LEU A 19 28.513 34.631 29.782 1.00 41.18 O ATOM 147 CB LEU A 19 25.881 33.675 31.510 1.00 42.06 C ATOM 148 CG LEU A 19 25.348 33.072 32.822 1.00 41.58 C ATOM 149 CD1 LEU A 19 23.896 32.524 32.624 1.00 38.45 C ATOM 150 CD2 LEU A 19 26.295 32.032 33.442 1.00 38.16 C ATOM 0 H LEU A 19 25.736 35.982 32.582 1.00 42.35 H new ATOM 0 HA LEU A 19 27.720 34.301 32.092 1.00 42.28 H new ATOM 0 HB2 LEU A 19 25.134 34.071 31.034 1.00 42.06 H new ATOM 0 HB3 LEU A 19 26.216 32.951 30.959 1.00 42.06 H new ATOM 0 HG LEU A 19 25.309 33.790 33.473 1.00 41.58 H new ATOM 0 HD11 LEU A 19 23.575 32.148 33.459 1.00 38.45 H new ATOM 0 HD12 LEU A 19 23.311 33.248 32.350 1.00 38.45 H new ATOM 0 HD13 LEU A 19 23.900 31.836 31.940 1.00 38.45 H new ATOM 0 HD21 LEU A 19 25.907 31.689 34.262 1.00 38.16 H new ATOM 0 HD22 LEU A 19 26.427 31.302 32.818 1.00 38.16 H new ATOM 0 HD23 LEU A 19 27.149 32.448 33.638 1.00 38.16 H new ATOM 151 N LYS A 20 26.933 36.188 29.658 1.00 42.88 N ATOM 152 CA LYS A 20 27.498 36.760 28.445 1.00 45.22 C ATOM 153 C LYS A 20 28.951 37.229 28.589 1.00 45.98 C ATOM 154 O LYS A 20 29.727 37.150 27.637 1.00 46.39 O ATOM 155 CB LYS A 20 26.641 37.919 27.954 1.00 45.21 C ATOM 156 CG LYS A 20 25.335 37.446 27.390 1.00 47.89 C ATOM 157 CD LYS A 20 24.508 38.615 26.844 1.00 50.39 C ATOM 158 CE LYS A 20 23.200 38.085 26.284 1.00 48.61 C ATOM 159 NZ LYS A 20 23.563 36.775 25.663 1.00 47.94 N ATOM 0 H LYS A 20 26.208 36.560 29.933 1.00 42.88 H new ATOM 0 HA LYS A 20 27.502 36.038 27.797 1.00 45.22 H new ATOM 0 HB2 LYS A 20 26.474 38.531 28.688 1.00 45.21 H new ATOM 0 HB3 LYS A 20 27.126 38.415 27.276 1.00 45.21 H new ATOM 0 HG2 LYS A 20 25.500 36.805 26.681 1.00 47.89 H new ATOM 0 HG3 LYS A 20 24.831 36.984 28.079 1.00 47.89 H new ATOM 0 HD2 LYS A 20 24.333 39.258 27.549 1.00 50.39 H new ATOM 0 HD3 LYS A 20 25.004 39.080 26.152 1.00 50.39 H new ATOM 0 HE2 LYS A 20 22.536 37.973 26.982 1.00 48.61 H new ATOM 0 HE3 LYS A 20 22.823 38.694 25.630 1.00 48.61 H new ATOM 0 HZ1 LYS A 20 22.903 36.506 25.129 1.00 47.94 H new ATOM 0 HZ2 LYS A 20 24.309 36.868 25.187 1.00 47.94 H new ATOM 0 HZ3 LYS A 20 23.693 36.169 26.302 1.00 47.94 H new ATOM 160 N GLN A 21 29.287 37.732 29.770 1.00 47.00 N ATOM 161 CA GLN A 21 30.592 38.327 30.071 1.00 48.56 C ATOM 162 C GLN A 21 31.618 37.211 30.231 1.00 48.25 C ATOM 163 O GLN A 21 32.749 37.305 29.737 1.00 47.42 O ATOM 164 CB GLN A 21 30.491 39.132 31.369 1.00 48.84 C ATOM 165 CG GLN A 21 31.325 40.378 31.456 1.00 56.04 C ATOM 166 CD GLN A 21 31.009 41.184 32.727 1.00 64.76 C ATOM 167 OE1 GLN A 21 29.837 41.530 32.987 1.00 66.44 O ATOM 168 NE2 GLN A 21 32.057 41.483 33.532 1.00 65.11 N ATOM 0 H GLN A 21 28.749 37.739 30.441 1.00 47.00 H new ATOM 0 HA GLN A 21 30.865 38.917 29.351 1.00 48.56 H new ATOM 0 HB2 GLN A 21 29.562 39.379 31.501 1.00 48.84 H new ATOM 0 HB3 GLN A 21 30.737 38.551 32.106 1.00 48.84 H new ATOM 0 HG2 GLN A 21 32.265 40.140 31.449 1.00 56.04 H new ATOM 0 HG3 GLN A 21 31.166 40.930 30.674 1.00 56.04 H new ATOM 0 HE21 GLN A 21 32.850 41.227 33.319 1.00 65.11 H new ATOM 0 HE22 GLN A 21 31.929 41.929 34.256 1.00 65.11 H new ATOM 169 N LYS A 22 31.191 36.154 30.926 1.00 47.21 N ATOM 170 CA LYS A 22 31.950 34.956 31.052 1.00 46.62 C ATOM 171 C LYS A 22 32.198 34.316 29.664 1.00 46.63 C ATOM 172 O LYS A 22 33.293 33.838 29.375 1.00 45.27 O ATOM 173 CB LYS A 22 31.234 34.020 32.000 1.00 46.56 C ATOM 174 CG LYS A 22 31.780 32.638 32.022 1.00 48.21 C ATOM 175 CD LYS A 22 31.920 32.126 33.445 1.00 52.18 C ATOM 176 CE LYS A 22 33.077 31.138 33.490 1.00 53.44 C ATOM 177 NZ LYS A 22 34.323 31.836 33.017 1.00 53.08 N ATOM 0 H LYS A 22 30.436 36.132 31.337 1.00 47.21 H new ATOM 0 HA LYS A 22 32.825 35.153 31.422 1.00 46.62 H new ATOM 0 HB2 LYS A 22 31.278 34.388 32.896 1.00 46.56 H new ATOM 0 HB3 LYS A 22 30.296 33.982 31.754 1.00 46.56 H new ATOM 0 HG2 LYS A 22 31.196 32.049 31.519 1.00 48.21 H new ATOM 0 HG3 LYS A 22 32.645 32.622 31.583 1.00 48.21 H new ATOM 0 HD2 LYS A 22 32.082 32.863 34.054 1.00 52.18 H new ATOM 0 HD3 LYS A 22 31.099 31.697 33.731 1.00 52.18 H new ATOM 0 HE2 LYS A 22 33.200 30.805 34.393 1.00 53.44 H new ATOM 0 HE3 LYS A 22 32.887 30.371 32.928 1.00 53.44 H new ATOM 0 HZ1 LYS A 22 35.031 31.499 33.439 1.00 53.08 H new ATOM 0 HZ2 LYS A 22 34.416 31.716 32.140 1.00 53.08 H new ATOM 0 HZ3 LYS A 22 34.261 32.706 33.192 1.00 53.08 H new ATOM 178 N ILE A 23 31.201 34.339 28.791 1.00 46.75 N ATOM 179 CA ILE A 23 31.426 33.819 27.431 1.00 46.44 C ATOM 180 C ILE A 23 32.377 34.727 26.621 1.00 46.71 C ATOM 181 O ILE A 23 33.268 34.230 25.932 1.00 45.94 O ATOM 182 CB ILE A 23 30.098 33.553 26.671 1.00 46.08 C ATOM 183 CG1 ILE A 23 29.378 32.334 27.243 1.00 45.46 C ATOM 184 CG2 ILE A 23 30.362 33.375 25.157 1.00 44.32 C ATOM 185 CD1 ILE A 23 27.918 32.202 26.788 1.00 45.67 C ATOM 0 H ILE A 23 30.410 34.638 28.948 1.00 46.75 H new ATOM 0 HA ILE A 23 31.864 32.959 27.532 1.00 46.44 H new ATOM 0 HB ILE A 23 29.522 34.324 26.790 1.00 46.08 H new ATOM 0 HG12 ILE A 23 29.861 31.534 26.985 1.00 45.46 H new ATOM 0 HG13 ILE A 23 29.403 32.380 28.212 1.00 45.46 H new ATOM 0 HG21 ILE A 23 29.523 33.210 24.699 1.00 44.32 H new ATOM 0 HG22 ILE A 23 30.770 34.180 24.803 1.00 44.32 H new ATOM 0 HG23 ILE A 23 30.959 32.623 25.019 1.00 44.32 H new ATOM 0 HD11 ILE A 23 27.525 31.410 27.187 1.00 45.67 H new ATOM 0 HD12 ILE A 23 27.420 32.986 27.067 1.00 45.67 H new ATOM 0 HD13 ILE A 23 27.886 32.126 25.822 1.00 45.67 H new ATOM 186 N ALA A 24 32.162 36.042 26.683 1.00 47.73 N ATOM 187 CA ALA A 24 33.137 37.035 26.167 1.00 49.97 C ATOM 188 C ALA A 24 34.554 36.786 26.655 1.00 51.26 C ATOM 189 O ALA A 24 35.523 36.930 25.895 1.00 52.18 O ATOM 190 CB ALA A 24 32.716 38.463 26.540 1.00 49.82 C ATOM 0 H ALA A 24 31.453 36.392 27.022 1.00 47.73 H new ATOM 0 HA ALA A 24 33.135 36.932 25.202 1.00 49.97 H new ATOM 0 HB1 ALA A 24 33.367 39.093 26.193 1.00 49.82 H new ATOM 0 HB2 ALA A 24 31.845 38.654 26.158 1.00 49.82 H new ATOM 0 HB3 ALA A 24 32.670 38.545 27.505 1.00 49.82 H new ATOM 191 N SER A 25 34.678 36.392 27.912 1.00 52.85 N ATOM 192 CA SER A 25 35.981 36.091 28.496 1.00 55.43 C ATOM 193 C SER A 25 36.597 34.788 27.957 1.00 57.20 C ATOM 194 O SER A 25 37.760 34.770 27.587 1.00 58.31 O ATOM 195 CB SER A 25 35.900 36.102 30.030 1.00 55.24 C ATOM 196 OG SER A 25 36.617 35.019 30.595 1.00 57.56 O ATOM 0 H SER A 25 34.015 36.291 28.451 1.00 52.85 H new ATOM 0 HA SER A 25 36.588 36.796 28.220 1.00 55.43 H new ATOM 0 HB2 SER A 25 36.256 36.939 30.368 1.00 55.24 H new ATOM 0 HB3 SER A 25 34.971 36.056 30.307 1.00 55.24 H new ATOM 0 HG SER A 25 36.558 35.050 31.432 1.00 57.56 H new ATOM 197 N LEU A 26 35.825 33.706 27.896 1.00 58.57 N ATOM 198 CA LEU A 26 36.359 32.431 27.436 1.00 60.23 C ATOM 199 C LEU A 26 36.853 32.496 25.987 1.00 61.42 C ATOM 200 O LEU A 26 37.721 31.725 25.596 1.00 61.96 O ATOM 201 CB LEU A 26 35.325 31.300 27.561 1.00 59.70 C ATOM 202 CG LEU A 26 35.028 30.429 28.797 1.00 59.43 C ATOM 203 CD1 LEU A 26 36.035 30.532 29.982 1.00 58.04 C ATOM 204 CD2 LEU A 26 33.565 30.575 29.257 1.00 55.10 C ATOM 0 H LEU A 26 34.994 33.690 28.116 1.00 58.57 H new ATOM 0 HA LEU A 26 37.114 32.239 28.014 1.00 60.23 H new ATOM 0 HB2 LEU A 26 34.476 31.704 27.324 1.00 59.70 H new ATOM 0 HB3 LEU A 26 35.547 30.673 26.855 1.00 59.70 H new ATOM 0 HG LEU A 26 35.166 29.524 28.477 1.00 59.43 H new ATOM 0 HD11 LEU A 26 35.751 29.945 30.700 1.00 58.04 H new ATOM 0 HD12 LEU A 26 36.918 30.269 29.680 1.00 58.04 H new ATOM 0 HD13 LEU A 26 36.063 31.446 30.304 1.00 58.04 H new ATOM 0 HD21 LEU A 26 33.413 30.015 30.034 1.00 55.10 H new ATOM 0 HD22 LEU A 26 33.389 31.501 29.486 1.00 55.10 H new ATOM 0 HD23 LEU A 26 32.971 30.301 28.540 1.00 55.10 H new ATOM 205 N LYS A 27 36.261 33.380 25.193 1.00 63.33 N ATOM 206 CA LYS A 27 36.690 33.625 23.817 1.00 65.45 C ATOM 207 C LYS A 27 37.841 34.652 23.791 1.00 67.04 C ATOM 208 O LYS A 27 38.796 34.500 23.036 1.00 68.06 O ATOM 209 CB LYS A 27 35.515 34.139 22.967 1.00 65.43 C ATOM 210 CG LYS A 27 34.232 33.292 23.033 1.00 66.16 C ATOM 211 CD LYS A 27 33.029 34.044 22.429 1.00 66.75 C ATOM 212 CE LYS A 27 32.604 33.468 21.071 1.00 67.59 C ATOM 213 NZ LYS A 27 31.434 34.188 20.448 1.00 64.36 N ATOM 0 H LYS A 27 35.592 33.861 25.438 1.00 63.33 H new ATOM 0 HA LYS A 27 37.003 32.787 23.442 1.00 65.45 H new ATOM 0 HB2 LYS A 27 35.303 35.043 23.249 1.00 65.43 H new ATOM 0 HB3 LYS A 27 35.803 34.191 22.042 1.00 65.43 H new ATOM 0 HG2 LYS A 27 34.368 32.459 22.555 1.00 66.16 H new ATOM 0 HG3 LYS A 27 34.041 33.062 23.956 1.00 66.16 H new ATOM 0 HD2 LYS A 27 32.281 34.001 23.045 1.00 66.75 H new ATOM 0 HD3 LYS A 27 33.256 34.981 22.324 1.00 66.75 H new ATOM 0 HE2 LYS A 27 33.358 33.505 20.462 1.00 67.59 H new ATOM 0 HE3 LYS A 27 32.376 32.532 21.183 1.00 67.59 H new ATOM 0 HZ1 LYS A 27 31.235 33.811 19.667 1.00 64.36 H new ATOM 0 HZ2 LYS A 27 30.730 34.136 20.990 1.00 64.36 H new ATOM 0 HZ3 LYS A 27 31.646 35.043 20.319 1.00 64.36 H new ATOM 214 N GLN A 28 37.713 35.689 24.623 1.00 68.86 N ATOM 215 CA GLN A 28 38.708 36.757 24.839 1.00 69.95 C ATOM 216 C GLN A 28 39.134 37.477 23.561 1.00 70.58 C ATOM 217 O GLN A 28 38.442 38.395 23.098 1.00 71.05 O ATOM 218 CB GLN A 28 39.911 36.253 25.649 1.00 70.29 C ATOM 219 CG GLN A 28 40.595 37.350 26.483 1.00 71.77 C ATOM 220 CD GLN A 28 41.240 36.832 27.779 1.00 74.37 C ATOM 221 OE1 GLN A 28 40.549 36.298 28.657 1.00 73.89 O ATOM 222 NE2 GLN A 28 42.565 37.032 27.919 1.00 73.58 N ATOM 0 H GLN A 28 37.008 35.798 25.104 1.00 68.86 H new ATOM 0 HA GLN A 28 38.257 37.432 25.369 1.00 69.95 H new ATOM 0 HB2 GLN A 28 39.618 35.543 26.241 1.00 70.29 H new ATOM 0 HB3 GLN A 28 40.561 35.866 25.042 1.00 70.29 H new ATOM 0 HG2 GLN A 28 41.276 37.779 25.942 1.00 71.77 H new ATOM 0 HG3 GLN A 28 39.940 38.030 26.707 1.00 71.77 H new ATOM 0 HE21 GLN A 28 43.012 37.406 27.287 1.00 73.58 H new ATOM 0 HE22 GLN A 28 42.963 36.785 28.640 1.00 73.58 H new TER 223 GLN A 28 ATOM 224 N ARG B 3 0.400 35.896 30.520 1.00 53.34 N ATOM 225 CA ARG B 3 0.795 37.177 31.189 1.00 53.49 C ATOM 226 C ARG B 3 2.211 37.599 30.766 1.00 52.98 C ATOM 227 O ARG B 3 3.132 36.787 30.804 1.00 53.66 O ATOM 228 CB ARG B 3 0.708 37.014 32.716 1.00 53.86 C ATOM 229 CG ARG B 3 0.359 38.268 33.533 1.00 55.21 C ATOM 230 CD ARG B 3 1.422 39.366 33.406 1.00 55.22 C ATOM 231 NE ARG B 3 1.193 40.513 34.278 1.00 54.87 N ATOM 232 CZ ARG B 3 0.468 41.597 33.977 1.00 58.20 C ATOM 233 NH1 ARG B 3 -0.164 41.725 32.797 1.00 56.58 N ATOM 234 NH2 ARG B 3 0.363 42.566 34.884 1.00 59.83 N ATOM 0 HA ARG B 3 0.182 37.877 30.913 1.00 53.49 H new ATOM 0 HB2 ARG B 3 0.044 36.334 32.909 1.00 53.86 H new ATOM 0 HB3 ARG B 3 1.560 36.676 33.032 1.00 53.86 H new ATOM 0 HG2 ARG B 3 -0.497 38.615 33.237 1.00 55.21 H new ATOM 0 HG3 ARG B 3 0.259 38.025 34.467 1.00 55.21 H new ATOM 0 HD2 ARG B 3 2.292 38.987 33.607 1.00 55.22 H new ATOM 0 HD3 ARG B 3 1.451 39.671 32.486 1.00 55.22 H new ATOM 0 HE ARG B 3 1.557 40.491 35.057 1.00 54.87 H new ATOM 0 HH11 ARG B 3 -0.109 41.099 32.210 1.00 56.58 H new ATOM 0 HH12 ARG B 3 -0.623 42.433 32.630 1.00 56.58 H new ATOM 0 HH21 ARG B 3 0.757 42.488 35.645 1.00 59.83 H new ATOM 0 HH22 ARG B 3 -0.098 43.270 34.709 1.00 59.83 H new ATOM 235 N ARG B 4 2.371 38.865 30.365 1.00 52.34 N ATOM 236 CA ARG B 4 3.671 39.477 30.047 1.00 52.22 C ATOM 237 C ARG B 4 4.834 38.912 30.917 1.00 50.00 C ATOM 238 O ARG B 4 5.842 38.460 30.390 1.00 49.07 O ATOM 239 CB ARG B 4 3.604 41.016 30.211 1.00 53.06 C ATOM 240 CG ARG B 4 2.981 41.814 29.022 1.00 59.19 C ATOM 241 CD ARG B 4 2.627 43.297 29.424 1.00 66.02 C ATOM 242 NE ARG B 4 1.367 43.769 28.826 1.00 71.83 N ATOM 243 CZ ARG B 4 1.269 44.628 27.800 1.00 75.37 C ATOM 244 NH1 ARG B 4 2.364 45.144 27.235 1.00 75.98 N ATOM 245 NH2 ARG B 4 0.067 44.981 27.334 1.00 75.35 N ATOM 0 H ARG B 4 1.710 39.407 30.268 1.00 52.34 H new ATOM 0 HA ARG B 4 3.860 39.251 29.123 1.00 52.22 H new ATOM 0 HB2 ARG B 4 3.093 41.215 31.011 1.00 53.06 H new ATOM 0 HB3 ARG B 4 4.504 41.345 30.360 1.00 53.06 H new ATOM 0 HG2 ARG B 4 3.603 41.822 28.278 1.00 59.19 H new ATOM 0 HG3 ARG B 4 2.179 41.363 28.716 1.00 59.19 H new ATOM 0 HD2 ARG B 4 2.564 43.359 30.390 1.00 66.02 H new ATOM 0 HD3 ARG B 4 3.349 43.883 29.149 1.00 66.02 H new ATOM 0 HE ARG B 4 0.634 43.470 29.162 1.00 71.83 H new ATOM 0 HH11 ARG B 4 3.143 44.926 27.528 1.00 75.98 H new ATOM 0 HH12 ARG B 4 2.290 45.694 26.578 1.00 75.98 H new ATOM 0 HH21 ARG B 4 -0.645 44.657 27.692 1.00 75.35 H new ATOM 0 HH22 ARG B 4 0.006 45.532 26.676 1.00 75.35 H new ATOM 246 N LEU B 5 4.658 38.925 32.235 1.00 47.25 N ATOM 247 CA LEU B 5 5.758 38.682 33.148 1.00 46.05 C ATOM 248 C LEU B 5 6.140 37.191 33.216 1.00 44.09 C ATOM 249 O LEU B 5 7.280 36.875 33.383 1.00 43.13 O ATOM 250 CB LEU B 5 5.452 39.225 34.571 1.00 46.02 C ATOM 251 CG LEU B 5 5.541 40.723 34.903 1.00 47.01 C ATOM 252 CD1 LEU B 5 5.337 40.941 36.424 1.00 48.60 C ATOM 253 CD2 LEU B 5 6.826 41.453 34.381 1.00 45.87 C ATOM 0 H LEU B 5 3.903 39.074 32.618 1.00 47.25 H new ATOM 0 HA LEU B 5 6.519 39.167 32.792 1.00 46.05 H new ATOM 0 HB2 LEU B 5 4.551 38.942 34.792 1.00 46.02 H new ATOM 0 HB3 LEU B 5 6.051 38.766 35.181 1.00 46.02 H new ATOM 0 HG LEU B 5 4.820 41.144 34.409 1.00 47.01 H new ATOM 0 HD11 LEU B 5 5.394 41.888 36.626 1.00 48.60 H new ATOM 0 HD12 LEU B 5 4.464 40.608 36.685 1.00 48.60 H new ATOM 0 HD13 LEU B 5 6.025 40.464 36.915 1.00 48.60 H new ATOM 0 HD21 LEU B 5 6.794 42.388 34.637 1.00 45.87 H new ATOM 0 HD22 LEU B 5 7.613 41.039 34.768 1.00 45.87 H new ATOM 0 HD23 LEU B 5 6.868 41.384 33.414 1.00 45.87 H new ATOM 254 N LYS B 6 5.162 36.310 33.116 1.00 43.59 N ATOM 255 CA LYS B 6 5.384 34.877 33.089 1.00 44.08 C ATOM 256 C LYS B 6 6.085 34.443 31.775 1.00 43.98 C ATOM 257 O LYS B 6 6.957 33.576 31.806 1.00 44.86 O ATOM 258 CB LYS B 6 4.061 34.138 33.243 1.00 44.78 C ATOM 259 CG LYS B 6 3.413 34.218 34.638 1.00 48.51 C ATOM 260 CD LYS B 6 2.114 33.390 34.678 1.00 52.35 C ATOM 261 CE LYS B 6 1.895 32.692 36.030 1.00 56.16 C ATOM 262 NZ LYS B 6 1.599 31.229 35.750 1.00 58.12 N ATOM 0 H LYS B 6 4.333 36.532 33.061 1.00 43.59 H new ATOM 0 HA LYS B 6 5.965 34.649 33.831 1.00 44.08 H new ATOM 0 HB2 LYS B 6 3.434 34.491 32.592 1.00 44.78 H new ATOM 0 HB3 LYS B 6 4.203 33.204 33.023 1.00 44.78 H new ATOM 0 HG2 LYS B 6 4.033 33.890 35.308 1.00 48.51 H new ATOM 0 HG3 LYS B 6 3.220 35.143 34.859 1.00 48.51 H new ATOM 0 HD2 LYS B 6 1.359 33.970 34.492 1.00 52.35 H new ATOM 0 HD3 LYS B 6 2.139 32.723 33.974 1.00 52.35 H new ATOM 0 HE2 LYS B 6 2.682 32.779 36.590 1.00 56.16 H new ATOM 0 HE3 LYS B 6 1.159 33.103 36.510 1.00 56.16 H new ATOM 0 HZ1 LYS B 6 1.468 30.800 36.519 1.00 58.12 H new ATOM 0 HZ2 LYS B 6 0.868 31.165 35.246 1.00 58.12 H new ATOM 0 HZ3 LYS B 6 2.288 30.863 35.321 1.00 58.12 H new ATOM 263 N GLN B 7 5.706 35.068 30.655 1.00 42.90 N ATOM 264 CA GLN B 7 6.317 34.861 29.338 1.00 42.99 C ATOM 265 C GLN B 7 7.725 35.350 29.291 1.00 41.00 C ATOM 266 O GLN B 7 8.583 34.636 28.847 1.00 41.34 O ATOM 267 CB GLN B 7 5.499 35.532 28.185 1.00 43.56 C ATOM 268 CG GLN B 7 4.230 34.736 27.814 1.00 47.39 C ATOM 269 CD GLN B 7 3.183 35.483 26.949 1.00 53.71 C ATOM 270 OE1 GLN B 7 3.364 36.659 26.563 1.00 58.24 O ATOM 271 NE2 GLN B 7 2.071 34.792 26.655 1.00 50.59 N ATOM 0 H GLN B 7 5.066 35.642 30.642 1.00 42.90 H new ATOM 0 HA GLN B 7 6.312 33.901 29.199 1.00 42.99 H new ATOM 0 HB2 GLN B 7 5.247 36.430 28.453 1.00 43.56 H new ATOM 0 HB3 GLN B 7 6.063 35.618 27.401 1.00 43.56 H new ATOM 0 HG2 GLN B 7 4.501 33.934 27.340 1.00 47.39 H new ATOM 0 HG3 GLN B 7 3.799 34.449 28.634 1.00 47.39 H new ATOM 0 HE21 GLN B 7 1.979 33.985 26.937 1.00 50.59 H new ATOM 0 HE22 GLN B 7 1.450 35.156 26.185 1.00 50.59 H new ATOM 272 N LYS B 8 7.968 36.570 29.733 1.00 39.56 N ATOM 273 CA LYS B 8 9.340 37.027 29.895 1.00 39.37 C ATOM 274 C LYS B 8 10.206 36.155 30.882 1.00 37.72 C ATOM 275 O LYS B 8 11.380 35.947 30.661 1.00 37.85 O ATOM 276 CB LYS B 8 9.352 38.489 30.330 1.00 39.39 C ATOM 277 CG LYS B 8 10.729 39.032 30.324 1.00 42.37 C ATOM 278 CD LYS B 8 10.862 40.308 31.112 1.00 47.97 C ATOM 279 CE LYS B 8 10.194 41.472 30.432 1.00 54.08 C ATOM 280 NZ LYS B 8 8.691 41.330 30.326 1.00 56.05 N ATOM 0 H LYS B 8 7.364 37.145 29.943 1.00 39.56 H new ATOM 0 HA LYS B 8 9.759 36.928 29.026 1.00 39.37 H new ATOM 0 HB2 LYS B 8 8.792 39.012 29.735 1.00 39.39 H new ATOM 0 HB3 LYS B 8 8.973 38.569 31.219 1.00 39.39 H new ATOM 0 HG2 LYS B 8 11.335 38.368 30.689 1.00 42.37 H new ATOM 0 HG3 LYS B 8 11.004 39.194 29.408 1.00 42.37 H new ATOM 0 HD2 LYS B 8 10.474 40.184 31.992 1.00 47.97 H new ATOM 0 HD3 LYS B 8 11.802 40.508 31.243 1.00 47.97 H new ATOM 0 HE2 LYS B 8 10.401 42.284 30.920 1.00 54.08 H new ATOM 0 HE3 LYS B 8 10.565 41.573 29.542 1.00 54.08 H new ATOM 0 HZ1 LYS B 8 8.309 42.125 30.441 1.00 56.05 H new ATOM 0 HZ2 LYS B 8 8.479 41.013 29.522 1.00 56.05 H new ATOM 0 HZ3 LYS B 8 8.401 40.768 30.952 1.00 56.05 H new ATOM 281 N ASN B 9 9.619 35.695 31.970 1.00 36.41 N ATOM 282 CA ASN B 9 10.281 34.753 32.870 1.00 36.69 C ATOM 283 C ASN B 9 10.700 33.447 32.137 1.00 37.13 C ATOM 284 O ASN B 9 11.879 33.053 32.170 1.00 36.28 O ATOM 285 CB ASN B 9 9.339 34.417 34.031 1.00 36.70 C ATOM 286 CG ASN B 9 10.016 33.616 35.123 1.00 35.59 C ATOM 287 OD1 ASN B 9 10.857 34.122 35.844 1.00 39.36 O ATOM 288 ND2 ASN B 9 9.628 32.386 35.264 1.00 31.69 N ATOM 0 H ASN B 9 8.825 35.916 32.214 1.00 36.41 H new ATOM 0 HA ASN B 9 11.089 35.173 33.204 1.00 36.69 H new ATOM 0 HB2 ASN B 9 8.991 35.240 34.408 1.00 36.70 H new ATOM 0 HB3 ASN B 9 8.580 33.917 33.692 1.00 36.70 H new ATOM 0 HD21 ASN B 9 9.967 31.897 35.884 1.00 31.69 H new ATOM 0 HD22 ASN B 9 9.032 32.060 34.737 1.00 31.69 H new ATOM 289 N ALA B 10 9.743 32.804 31.460 1.00 35.79 N ATOM 290 CA ALA B 10 10.043 31.571 30.730 1.00 36.84 C ATOM 291 C ALA B 10 11.167 31.769 29.690 1.00 36.43 C ATOM 292 O ALA B 10 12.052 30.940 29.615 1.00 37.15 O ATOM 293 CB ALA B 10 8.745 30.930 30.087 1.00 36.98 C ATOM 0 H ALA B 10 8.924 33.062 31.412 1.00 35.79 H new ATOM 0 HA ALA B 10 10.376 30.935 31.383 1.00 36.84 H new ATOM 0 HB1 ALA B 10 8.985 30.118 29.614 1.00 36.98 H new ATOM 0 HB2 ALA B 10 8.107 30.719 30.787 1.00 36.98 H new ATOM 0 HB3 ALA B 10 8.347 31.560 29.466 1.00 36.98 H new ATOM 294 N ARG B 11 11.188 32.908 29.001 1.00 36.33 N ATOM 295 CA ARG B 11 12.232 33.254 28.021 1.00 36.64 C ATOM 296 C ARG B 11 13.543 33.698 28.628 1.00 35.59 C ATOM 297 O ARG B 11 14.608 33.438 28.055 1.00 34.81 O ATOM 298 CB ARG B 11 11.703 34.308 27.040 1.00 38.01 C ATOM 299 CG ARG B 11 10.180 34.033 26.733 1.00 45.42 C ATOM 300 CD ARG B 11 9.726 34.213 25.241 1.00 56.56 C ATOM 301 NE ARG B 11 8.311 34.646 25.151 1.00 62.61 N ATOM 302 CZ ARG B 11 7.680 34.947 24.012 1.00 65.77 C ATOM 303 NH1 ARG B 11 8.319 34.839 22.832 1.00 65.16 N ATOM 304 NH2 ARG B 11 6.406 35.348 24.050 1.00 65.15 N ATOM 0 H ARG B 11 10.587 33.517 29.088 1.00 36.33 H new ATOM 0 HA ARG B 11 12.437 32.431 27.550 1.00 36.64 H new ATOM 0 HB2 ARG B 11 11.811 35.196 27.416 1.00 38.01 H new ATOM 0 HB3 ARG B 11 12.217 34.284 26.218 1.00 38.01 H new ATOM 0 HG2 ARG B 11 9.974 33.125 27.006 1.00 45.42 H new ATOM 0 HG3 ARG B 11 9.646 34.624 27.287 1.00 45.42 H new ATOM 0 HD2 ARG B 11 10.294 34.868 24.806 1.00 56.56 H new ATOM 0 HD3 ARG B 11 9.840 33.376 24.764 1.00 56.56 H new ATOM 0 HE ARG B 11 7.865 34.708 25.884 1.00 62.61 H new ATOM 0 HH11 ARG B 11 9.137 34.575 22.809 1.00 65.16 H new ATOM 0 HH12 ARG B 11 7.909 35.034 22.102 1.00 65.16 H new ATOM 0 HH21 ARG B 11 5.997 35.411 24.804 1.00 65.15 H new ATOM 0 HH22 ARG B 11 5.995 35.543 23.320 1.00 65.15 H new ATOM 305 N LEU B 12 13.501 34.327 29.809 1.00 34.56 N ATOM 306 CA LEU B 12 14.775 34.588 30.493 1.00 33.74 C ATOM 307 C LEU B 12 15.438 33.302 30.934 1.00 33.02 C ATOM 308 O LEU B 12 16.640 33.171 30.809 1.00 33.41 O ATOM 309 CB LEU B 12 14.610 35.537 31.675 1.00 33.76 C ATOM 310 CG LEU B 12 14.240 36.947 31.246 1.00 32.55 C ATOM 311 CD1 LEU B 12 13.917 37.774 32.471 1.00 31.31 C ATOM 312 CD2 LEU B 12 15.368 37.618 30.363 1.00 30.25 C ATOM 0 H LEU B 12 12.791 34.597 30.212 1.00 34.56 H new ATOM 0 HA LEU B 12 15.352 35.024 29.847 1.00 33.74 H new ATOM 0 HB2 LEU B 12 13.924 35.193 32.268 1.00 33.76 H new ATOM 0 HB3 LEU B 12 15.437 35.563 32.182 1.00 33.76 H new ATOM 0 HG LEU B 12 13.453 36.902 30.681 1.00 32.55 H new ATOM 0 HD11 LEU B 12 13.680 38.675 32.200 1.00 31.31 H new ATOM 0 HD12 LEU B 12 13.172 37.373 32.945 1.00 31.31 H new ATOM 0 HD13 LEU B 12 14.692 37.805 33.054 1.00 31.31 H new ATOM 0 HD21 LEU B 12 15.093 38.513 30.112 1.00 30.25 H new ATOM 0 HD22 LEU B 12 16.193 37.665 30.872 1.00 30.25 H new ATOM 0 HD23 LEU B 12 15.512 37.088 29.563 1.00 30.25 H new ATOM 313 N LYS B 13 14.647 32.341 31.405 1.00 33.93 N ATOM 314 CA LYS B 13 15.162 31.013 31.784 1.00 34.97 C ATOM 315 C LYS B 13 15.760 30.259 30.602 1.00 34.98 C ATOM 316 O LYS B 13 16.809 29.649 30.744 1.00 36.27 O ATOM 317 CB LYS B 13 14.095 30.166 32.435 1.00 34.68 C ATOM 318 CG LYS B 13 13.861 30.509 33.864 1.00 39.44 C ATOM 319 CD LYS B 13 12.534 29.974 34.328 1.00 41.90 C ATOM 320 CE LYS B 13 12.345 30.231 35.824 1.00 43.56 C ATOM 321 NZ LYS B 13 10.942 29.854 36.226 1.00 45.18 N ATOM 0 H LYS B 13 13.799 32.434 31.516 1.00 33.93 H new ATOM 0 HA LYS B 13 15.870 31.178 32.426 1.00 34.97 H new ATOM 0 HB2 LYS B 13 13.265 30.269 31.944 1.00 34.68 H new ATOM 0 HB3 LYS B 13 14.348 29.232 32.370 1.00 34.68 H new ATOM 0 HG2 LYS B 13 14.573 30.141 34.411 1.00 39.44 H new ATOM 0 HG3 LYS B 13 13.885 31.472 33.979 1.00 39.44 H new ATOM 0 HD2 LYS B 13 11.817 30.396 33.829 1.00 41.90 H new ATOM 0 HD3 LYS B 13 12.483 29.022 34.149 1.00 41.90 H new ATOM 0 HE2 LYS B 13 12.988 29.714 36.334 1.00 43.56 H new ATOM 0 HE3 LYS B 13 12.509 31.166 36.025 1.00 43.56 H new ATOM 0 HZ1 LYS B 13 10.659 30.402 36.868 1.00 45.18 H new ATOM 0 HZ2 LYS B 13 10.403 29.921 35.521 1.00 45.18 H new ATOM 0 HZ3 LYS B 13 10.934 29.016 36.527 1.00 45.18 H new ATOM 322 N GLN B 14 15.104 30.313 29.442 1.00 35.55 N ATOM 323 CA GLN B 14 15.578 29.628 28.221 1.00 35.20 C ATOM 324 C GLN B 14 16.873 30.189 27.688 1.00 35.96 C ATOM 325 O GLN B 14 17.749 29.458 27.214 1.00 37.89 O ATOM 326 CB GLN B 14 14.492 29.617 27.166 1.00 34.50 C ATOM 327 CG GLN B 14 13.296 28.806 27.602 1.00 34.44 C ATOM 328 CD GLN B 14 12.266 28.618 26.504 1.00 37.29 C ATOM 329 OE1 GLN B 14 12.076 29.482 25.633 1.00 40.88 O ATOM 330 NE2 GLN B 14 11.621 27.466 26.518 1.00 36.67 N ATOM 0 H GLN B 14 14.369 30.747 29.334 1.00 35.55 H new ATOM 0 HA GLN B 14 15.777 28.712 28.469 1.00 35.20 H new ATOM 0 HB2 GLN B 14 14.215 30.527 26.978 1.00 34.50 H new ATOM 0 HB3 GLN B 14 14.847 29.252 26.340 1.00 34.50 H new ATOM 0 HG2 GLN B 14 13.597 27.936 27.907 1.00 34.44 H new ATOM 0 HG3 GLN B 14 12.876 29.242 28.360 1.00 34.44 H new ATOM 0 HE21 GLN B 14 11.780 26.892 27.138 1.00 36.67 H new ATOM 0 HE22 GLN B 14 11.042 27.290 25.907 1.00 36.67 H new ATOM 331 N GLU B 15 17.019 31.488 27.837 1.00 36.53 N ATOM 332 CA GLU B 15 18.224 32.189 27.495 1.00 36.97 C ATOM 333 C GLU B 15 19.384 31.851 28.435 1.00 35.26 C ATOM 334 O GLU B 15 20.496 31.667 27.993 1.00 36.79 O ATOM 335 CB GLU B 15 17.919 33.703 27.480 1.00 38.03 C ATOM 336 CG GLU B 15 19.172 34.606 27.654 1.00 44.20 C ATOM 337 CD GLU B 15 19.795 35.147 26.364 1.00 51.18 C ATOM 338 OE1 GLU B 15 20.427 34.345 25.616 1.00 56.08 O ATOM 339 OE2 GLU B 15 19.697 36.389 26.132 1.00 54.31 O ATOM 0 H GLU B 15 16.400 31.998 28.149 1.00 36.53 H new ATOM 0 HA GLU B 15 18.516 31.906 26.614 1.00 36.97 H new ATOM 0 HB2 GLU B 15 17.485 33.927 26.642 1.00 38.03 H new ATOM 0 HB3 GLU B 15 17.288 33.903 28.189 1.00 38.03 H new ATOM 0 HG2 GLU B 15 18.930 35.359 28.216 1.00 44.20 H new ATOM 0 HG3 GLU B 15 19.849 34.101 28.132 1.00 44.20 H new ATOM 340 N ILE B 16 19.132 31.776 29.727 1.00 33.38 N ATOM 341 CA ILE B 16 20.144 31.407 30.674 1.00 31.13 C ATOM 342 C ILE B 16 20.543 29.955 30.376 1.00 31.60 C ATOM 343 O ILE B 16 21.714 29.628 30.391 1.00 32.21 O ATOM 344 CB ILE B 16 19.609 31.616 32.116 1.00 32.18 C ATOM 345 CG1 ILE B 16 19.833 33.089 32.504 1.00 33.36 C ATOM 346 CG2 ILE B 16 20.268 30.689 33.188 1.00 26.03 C ATOM 347 CD1 ILE B 16 18.922 33.537 33.600 1.00 34.78 C ATOM 0 H ILE B 16 18.363 31.940 30.076 1.00 33.38 H new ATOM 0 HA ILE B 16 20.936 31.962 30.599 1.00 31.13 H new ATOM 0 HB ILE B 16 18.668 31.380 32.107 1.00 32.18 H new ATOM 0 HG12 ILE B 16 20.754 33.210 32.783 1.00 33.36 H new ATOM 0 HG13 ILE B 16 19.697 33.650 31.725 1.00 33.36 H new ATOM 0 HG21 ILE B 16 19.884 30.877 34.059 1.00 26.03 H new ATOM 0 HG22 ILE B 16 20.106 29.761 32.957 1.00 26.03 H new ATOM 0 HG23 ILE B 16 21.224 30.853 33.214 1.00 26.03 H new ATOM 0 HD11 ILE B 16 19.100 34.467 33.809 1.00 34.78 H new ATOM 0 HD12 ILE B 16 18.000 33.441 33.314 1.00 34.78 H new ATOM 0 HD13 ILE B 16 19.074 32.994 34.389 1.00 34.78 H new ATOM 348 N ALA B 17 19.576 29.073 30.114 1.00 30.82 N ATOM 349 CA ALA B 17 19.901 27.698 29.702 1.00 30.24 C ATOM 350 C ALA B 17 20.843 27.600 28.476 1.00 29.98 C ATOM 351 O ALA B 17 21.787 26.821 28.465 1.00 30.08 O ATOM 352 CB ALA B 17 18.618 26.887 29.449 1.00 29.39 C ATOM 0 H ALA B 17 18.735 29.245 30.167 1.00 30.82 H new ATOM 0 HA ALA B 17 20.393 27.319 30.447 1.00 30.24 H new ATOM 0 HB1 ALA B 17 18.853 25.985 29.179 1.00 29.39 H new ATOM 0 HB2 ALA B 17 18.090 26.853 30.262 1.00 29.39 H new ATOM 0 HB3 ALA B 17 18.101 27.310 28.746 1.00 29.39 H new ATOM 353 N ALA B 18 20.608 28.422 27.471 1.00 30.15 N ATOM 354 CA ALA B 18 21.398 28.396 26.252 1.00 30.79 C ATOM 355 C ALA B 18 22.779 28.844 26.536 1.00 31.89 C ATOM 356 O ALA B 18 23.726 28.305 25.983 1.00 33.78 O ATOM 357 CB ALA B 18 20.741 29.350 25.148 1.00 30.96 C ATOM 0 H ALA B 18 19.984 29.014 27.474 1.00 30.15 H new ATOM 0 HA ALA B 18 21.419 27.487 25.914 1.00 30.79 H new ATOM 0 HB1 ALA B 18 21.276 29.325 24.339 1.00 30.96 H new ATOM 0 HB2 ALA B 18 19.842 29.045 24.950 1.00 30.96 H new ATOM 0 HB3 ALA B 18 20.707 30.259 25.485 1.00 30.96 H new ATOM 358 N LEU B 19 22.914 29.848 27.403 1.00 32.29 N ATOM 359 CA LEU B 19 24.225 30.376 27.721 1.00 32.26 C ATOM 360 C LEU B 19 25.022 29.438 28.575 1.00 32.08 C ATOM 361 O LEU B 19 26.236 29.330 28.352 1.00 31.03 O ATOM 362 CB LEU B 19 24.117 31.736 28.409 1.00 33.26 C ATOM 363 CG LEU B 19 23.488 32.890 27.610 1.00 33.18 C ATOM 364 CD1 LEU B 19 23.128 34.049 28.531 1.00 31.88 C ATOM 365 CD2 LEU B 19 24.399 33.381 26.445 1.00 33.04 C ATOM 0 H LEU B 19 22.261 30.230 27.811 1.00 32.29 H new ATOM 0 HA LEU B 19 24.692 30.482 26.878 1.00 32.26 H new ATOM 0 HB2 LEU B 19 23.601 31.620 29.222 1.00 33.26 H new ATOM 0 HB3 LEU B 19 25.009 32.008 28.675 1.00 33.26 H new ATOM 0 HG LEU B 19 22.677 32.542 27.207 1.00 33.18 H new ATOM 0 HD11 LEU B 19 22.733 34.766 28.010 1.00 31.88 H new ATOM 0 HD12 LEU B 19 22.492 33.747 29.198 1.00 31.88 H new ATOM 0 HD13 LEU B 19 23.929 34.373 28.972 1.00 31.88 H new ATOM 0 HD21 LEU B 19 23.960 34.106 25.974 1.00 33.04 H new ATOM 0 HD22 LEU B 19 25.244 33.694 26.805 1.00 33.04 H new ATOM 0 HD23 LEU B 19 24.562 32.648 25.830 1.00 33.04 H new ATOM 366 N GLU B 20 24.381 28.768 29.549 1.00 32.35 N ATOM 367 CA GLU B 20 25.115 27.766 30.335 1.00 33.09 C ATOM 368 C GLU B 20 25.497 26.551 29.465 1.00 33.30 C ATOM 369 O GLU B 20 26.571 25.978 29.656 1.00 33.27 O ATOM 370 CB GLU B 20 24.366 27.325 31.598 1.00 34.08 C ATOM 371 CG GLU B 20 24.375 28.372 32.752 1.00 38.07 C ATOM 372 CD GLU B 20 23.215 28.154 33.751 1.00 44.14 C ATOM 373 OE1 GLU B 20 22.273 27.389 33.397 1.00 41.96 O ATOM 374 OE2 GLU B 20 23.239 28.749 34.891 1.00 47.74 O ATOM 0 H GLU B 20 23.555 28.874 29.762 1.00 32.35 H new ATOM 0 HA GLU B 20 25.929 28.199 30.637 1.00 33.09 H new ATOM 0 HB2 GLU B 20 23.446 27.128 31.363 1.00 34.08 H new ATOM 0 HB3 GLU B 20 24.759 26.500 31.922 1.00 34.08 H new ATOM 0 HG2 GLU B 20 25.220 28.322 33.225 1.00 38.07 H new ATOM 0 HG3 GLU B 20 24.313 29.264 32.377 1.00 38.07 H new ATOM 375 N TYR B 21 24.632 26.166 28.518 1.00 32.29 N ATOM 376 CA TYR B 21 25.038 25.193 27.491 1.00 32.79 C ATOM 377 C TYR B 21 26.322 25.609 26.724 1.00 33.16 C ATOM 378 O TYR B 21 27.274 24.855 26.625 1.00 32.88 O ATOM 379 CB TYR B 21 23.912 24.932 26.486 1.00 31.14 C ATOM 380 CG TYR B 21 24.103 23.676 25.636 1.00 30.07 C ATOM 381 CD1 TYR B 21 25.106 23.604 24.659 1.00 26.84 C ATOM 382 CD2 TYR B 21 23.231 22.589 25.771 1.00 30.93 C ATOM 383 CE1 TYR B 21 25.264 22.481 23.876 1.00 27.86 C ATOM 384 CE2 TYR B 21 23.356 21.457 24.971 1.00 30.31 C ATOM 385 CZ TYR B 21 24.372 21.406 24.051 1.00 29.60 C ATOM 386 OH TYR B 21 24.502 20.282 23.290 1.00 33.42 O ATOM 0 H TYR B 21 23.822 26.449 28.452 1.00 32.29 H new ATOM 0 HA TYR B 21 25.236 24.377 27.977 1.00 32.79 H new ATOM 0 HB2 TYR B 21 23.074 24.859 26.968 1.00 31.14 H new ATOM 0 HB3 TYR B 21 23.834 25.699 25.897 1.00 31.14 H new ATOM 0 HD1 TYR B 21 25.676 24.329 24.537 1.00 26.84 H new ATOM 0 HD2 TYR B 21 22.554 22.624 26.408 1.00 30.93 H new ATOM 0 HE1 TYR B 21 25.946 22.434 23.245 1.00 27.86 H new ATOM 0 HE2 TYR B 21 22.761 20.748 25.059 1.00 30.31 H new ATOM 0 HH TYR B 21 23.907 19.729 23.503 1.00 33.42 H new ATOM 387 N GLU B 22 26.348 26.804 26.162 1.00 34.41 N ATOM 388 CA GLU B 22 27.542 27.235 25.454 1.00 35.56 C ATOM 389 C GLU B 22 28.784 27.279 26.368 1.00 35.87 C ATOM 390 O GLU B 22 29.876 26.894 25.968 1.00 35.97 O ATOM 391 CB GLU B 22 27.270 28.584 24.784 1.00 36.59 C ATOM 392 CG GLU B 22 28.408 29.157 23.921 1.00 38.05 C ATOM 393 CD GLU B 22 27.987 30.461 23.258 1.00 39.56 C ATOM 394 OE1 GLU B 22 26.877 30.917 23.592 1.00 37.34 O ATOM 395 OE2 GLU B 22 28.748 31.032 22.419 1.00 43.77 O ATOM 0 H GLU B 22 25.702 27.371 26.176 1.00 34.41 H new ATOM 0 HA GLU B 22 27.749 26.580 24.769 1.00 35.56 H new ATOM 0 HB2 GLU B 22 26.481 28.494 24.227 1.00 36.59 H new ATOM 0 HB3 GLU B 22 27.057 29.230 25.475 1.00 36.59 H new ATOM 0 HG2 GLU B 22 29.191 29.309 24.472 1.00 38.05 H new ATOM 0 HG3 GLU B 22 28.660 28.512 23.242 1.00 38.05 H new ATOM 396 N ILE B 23 28.620 27.737 27.599 1.00 36.28 N ATOM 397 CA ILE B 23 29.735 27.814 28.545 1.00 36.51 C ATOM 398 C ILE B 23 30.367 26.444 28.741 1.00 37.53 C ATOM 399 O ILE B 23 31.580 26.287 28.578 1.00 38.43 O ATOM 400 CB ILE B 23 29.295 28.445 29.854 1.00 36.18 C ATOM 401 CG1 ILE B 23 29.078 29.943 29.612 1.00 36.55 C ATOM 402 CG2 ILE B 23 30.346 28.298 30.975 1.00 34.37 C ATOM 403 CD1 ILE B 23 28.480 30.660 30.847 1.00 38.34 C ATOM 0 H ILE B 23 27.868 28.011 27.913 1.00 36.28 H new ATOM 0 HA ILE B 23 30.419 28.392 28.174 1.00 36.51 H new ATOM 0 HB ILE B 23 28.487 27.991 30.140 1.00 36.18 H new ATOM 0 HG12 ILE B 23 29.924 30.356 29.379 1.00 36.55 H new ATOM 0 HG13 ILE B 23 28.486 30.063 28.853 1.00 36.55 H new ATOM 0 HG21 ILE B 23 30.016 28.717 31.785 1.00 34.37 H new ATOM 0 HG22 ILE B 23 30.512 27.357 31.142 1.00 34.37 H new ATOM 0 HG23 ILE B 23 31.172 28.728 30.703 1.00 34.37 H new ATOM 0 HD11 ILE B 23 28.361 31.602 30.648 1.00 38.34 H new ATOM 0 HD12 ILE B 23 27.622 30.265 31.067 1.00 38.34 H new ATOM 0 HD13 ILE B 23 29.082 30.563 31.601 1.00 38.34 H new ATOM 404 N ALA B 24 29.523 25.449 28.976 1.00 37.52 N ATOM 405 CA ALA B 24 29.975 24.086 29.109 1.00 38.30 C ATOM 406 C ALA B 24 30.616 23.517 27.842 1.00 39.20 C ATOM 407 O ALA B 24 31.501 22.675 27.938 1.00 38.28 O ATOM 408 CB ALA B 24 28.837 23.173 29.625 1.00 36.99 C ATOM 0 H ALA B 24 28.673 25.551 29.062 1.00 37.52 H new ATOM 0 HA ALA B 24 30.684 24.105 29.770 1.00 38.30 H new ATOM 0 HB1 ALA B 24 29.163 22.263 29.706 1.00 36.99 H new ATOM 0 HB2 ALA B 24 28.538 23.488 30.492 1.00 36.99 H new ATOM 0 HB3 ALA B 24 28.095 23.195 29.000 1.00 36.99 H new ATOM 409 N ALA B 25 30.137 23.923 26.661 1.00 41.37 N ATOM 410 CA ALA B 25 30.761 23.514 25.391 1.00 42.83 C ATOM 411 C ALA B 25 32.142 24.151 25.205 1.00 45.13 C ATOM 412 O ALA B 25 33.059 23.526 24.637 1.00 47.20 O ATOM 413 CB ALA B 25 29.877 23.871 24.228 1.00 42.53 C ATOM 0 H ALA B 25 29.452 24.435 26.571 1.00 41.37 H new ATOM 0 HA ALA B 25 30.875 22.551 25.425 1.00 42.83 H new ATOM 0 HB1 ALA B 25 30.303 23.595 23.401 1.00 42.53 H new ATOM 0 HB2 ALA B 25 29.024 23.418 24.319 1.00 42.53 H new ATOM 0 HB3 ALA B 25 29.734 24.830 24.213 1.00 42.53 H new ATOM 414 N LEU B 26 32.290 25.380 25.692 1.00 46.18 N ATOM 415 CA LEU B 26 33.483 26.194 25.476 1.00 47.53 C ATOM 416 C LEU B 26 34.644 25.789 26.350 1.00 49.54 C ATOM 417 O LEU B 26 35.792 26.157 26.061 1.00 50.21 O ATOM 418 CB LEU B 26 33.196 27.675 25.776 1.00 46.81 C ATOM 419 CG LEU B 26 32.388 28.465 24.757 1.00 44.14 C ATOM 420 CD1 LEU B 26 32.134 29.894 25.241 1.00 38.02 C ATOM 421 CD2 LEU B 26 33.141 28.492 23.405 1.00 48.54 C ATOM 0 H LEU B 26 31.689 25.771 26.166 1.00 46.18 H new ATOM 0 HA LEU B 26 33.719 26.056 24.545 1.00 47.53 H new ATOM 0 HB2 LEU B 26 32.730 27.722 26.626 1.00 46.81 H new ATOM 0 HB3 LEU B 26 34.047 28.125 25.894 1.00 46.81 H new ATOM 0 HG LEU B 26 31.529 28.029 24.643 1.00 44.14 H new ATOM 0 HD11 LEU B 26 31.618 30.375 24.575 1.00 38.02 H new ATOM 0 HD12 LEU B 26 31.641 29.870 26.076 1.00 38.02 H new ATOM 0 HD13 LEU B 26 32.982 30.344 25.380 1.00 38.02 H new ATOM 0 HD21 LEU B 26 32.625 28.996 22.757 1.00 48.54 H new ATOM 0 HD22 LEU B 26 34.007 28.912 23.525 1.00 48.54 H new ATOM 0 HD23 LEU B 26 33.264 27.585 23.085 1.00 48.54 H new ATOM 422 N GLU B 27 34.350 25.080 27.437 1.00 50.90 N ATOM 423 CA GLU B 27 35.343 24.823 28.452 1.00 51.31 C ATOM 424 C GLU B 27 35.989 23.439 28.236 1.00 52.37 C ATOM 425 O GLU B 27 35.600 22.432 28.845 1.00 53.63 O ATOM 426 CB GLU B 27 34.730 24.983 29.842 1.00 51.54 C ATOM 427 CG GLU B 27 34.618 26.442 30.373 1.00 51.17 C ATOM 428 CD GLU B 27 33.653 26.574 31.591 1.00 54.96 C ATOM 429 OE1 GLU B 27 33.621 27.635 32.272 1.00 54.27 O ATOM 430 OE2 GLU B 27 32.907 25.613 31.870 1.00 54.99 O ATOM 0 H GLU B 27 33.576 24.741 27.599 1.00 50.90 H new ATOM 0 HA GLU B 27 36.056 25.476 28.381 1.00 51.31 H new ATOM 0 HB2 GLU B 27 33.842 24.592 29.832 1.00 51.54 H new ATOM 0 HB3 GLU B 27 35.259 24.468 30.471 1.00 51.54 H new ATOM 0 HG2 GLU B 27 35.499 26.756 30.629 1.00 51.17 H new ATOM 0 HG3 GLU B 27 34.308 27.019 29.657 1.00 51.17 H new TER 431 GLU B 27 ATOM 432 N ILE D 2 41.558 12.865 34.274 1.00 61.06 N ATOM 433 CA ILE D 2 40.655 14.041 34.396 1.00 61.03 C ATOM 434 C ILE D 2 39.906 14.307 33.090 1.00 59.83 C ATOM 435 O ILE D 2 38.701 14.462 33.129 1.00 59.67 O ATOM 436 CB ILE D 2 41.381 15.332 34.899 1.00 61.39 C ATOM 437 CG1 ILE D 2 42.395 15.837 33.863 1.00 63.31 C ATOM 438 CG2 ILE D 2 42.026 15.082 36.238 1.00 62.64 C ATOM 439 CD1 ILE D 2 42.591 17.373 33.836 1.00 65.83 C ATOM 0 HA ILE D 2 40.008 13.809 35.080 1.00 61.03 H new ATOM 0 HB ILE D 2 40.720 16.033 35.013 1.00 61.39 H new ATOM 0 HG12 ILE D 2 43.252 15.418 34.038 1.00 63.31 H new ATOM 0 HG13 ILE D 2 42.111 15.545 32.983 1.00 63.31 H new ATOM 0 HG21 ILE D 2 42.472 15.889 36.538 1.00 62.64 H new ATOM 0 HG22 ILE D 2 41.347 14.830 36.883 1.00 62.64 H new ATOM 0 HG23 ILE D 2 42.675 14.366 36.156 1.00 62.64 H new ATOM 0 HD11 ILE D 2 43.244 17.604 33.157 1.00 65.83 H new ATOM 0 HD12 ILE D 2 41.746 17.804 33.631 1.00 65.83 H new ATOM 0 HD13 ILE D 2 42.905 17.675 34.703 1.00 65.83 H new ATOM 440 N ARG D 3 40.623 14.321 31.959 1.00 58.94 N ATOM 441 CA ARG D 3 40.057 14.539 30.615 1.00 57.81 C ATOM 442 C ARG D 3 38.716 13.862 30.333 1.00 56.23 C ATOM 443 O ARG D 3 37.775 14.524 29.920 1.00 56.29 O ATOM 444 CB ARG D 3 41.086 14.205 29.513 1.00 58.19 C ATOM 445 CG ARG D 3 40.507 13.901 28.081 1.00 61.03 C ATOM 446 CD ARG D 3 41.531 14.221 26.956 1.00 65.72 C ATOM 447 NE ARG D 3 41.736 13.144 25.962 1.00 68.27 N ATOM 448 CZ ARG D 3 41.275 13.122 24.697 1.00 69.69 C ATOM 449 NH1 ARG D 3 40.537 14.113 24.192 1.00 69.79 N ATOM 450 NH2 ARG D 3 41.562 12.089 23.909 1.00 68.91 N ATOM 0 H ARG D 3 41.475 14.201 31.950 1.00 58.94 H new ATOM 0 HA ARG D 3 39.854 15.487 30.599 1.00 57.81 H new ATOM 0 HB2 ARG D 3 41.704 14.949 29.439 1.00 58.19 H new ATOM 0 HB3 ARG D 3 41.601 13.436 29.802 1.00 58.19 H new ATOM 0 HG2 ARG D 3 40.252 12.967 28.028 1.00 61.03 H new ATOM 0 HG3 ARG D 3 39.702 14.423 27.942 1.00 61.03 H new ATOM 0 HD2 ARG D 3 41.238 15.020 26.490 1.00 65.72 H new ATOM 0 HD3 ARG D 3 42.385 14.429 27.366 1.00 65.72 H new ATOM 0 HE ARG D 3 42.196 12.464 26.218 1.00 68.27 H new ATOM 0 HH11 ARG D 3 40.341 14.795 24.679 1.00 69.79 H new ATOM 0 HH12 ARG D 3 40.257 14.070 23.380 1.00 69.79 H new ATOM 0 HH21 ARG D 3 42.040 11.440 24.208 1.00 68.91 H new ATOM 0 HH22 ARG D 3 41.270 12.071 23.100 1.00 68.91 H new ATOM 451 N ARG D 4 38.609 12.560 30.528 1.00 54.44 N ATOM 452 CA ARG D 4 37.343 11.896 30.174 1.00 53.53 C ATOM 453 C ARG D 4 36.217 12.189 31.189 1.00 51.48 C ATOM 454 O ARG D 4 35.037 12.105 30.856 1.00 50.54 O ATOM 455 CB ARG D 4 37.545 10.399 29.928 1.00 53.60 C ATOM 456 CG ARG D 4 37.016 9.422 30.974 1.00 58.51 C ATOM 457 CD ARG D 4 35.596 8.917 30.582 1.00 65.84 C ATOM 458 NE ARG D 4 35.400 7.459 30.563 1.00 68.13 N ATOM 459 CZ ARG D 4 35.591 6.693 29.483 1.00 71.58 C ATOM 460 NH1 ARG D 4 36.016 7.242 28.343 1.00 72.37 N ATOM 461 NH2 ARG D 4 35.364 5.381 29.533 1.00 70.71 N ATOM 0 H ARG D 4 39.223 12.051 30.850 1.00 54.44 H new ATOM 0 HA ARG D 4 37.044 12.280 29.335 1.00 53.53 H new ATOM 0 HB2 ARG D 4 37.130 10.179 29.079 1.00 53.60 H new ATOM 0 HB3 ARG D 4 38.497 10.240 29.828 1.00 53.60 H new ATOM 0 HG2 ARG D 4 37.622 8.669 31.056 1.00 58.51 H new ATOM 0 HG3 ARG D 4 36.983 9.855 31.841 1.00 58.51 H new ATOM 0 HD2 ARG D 4 34.956 9.301 31.201 1.00 65.84 H new ATOM 0 HD3 ARG D 4 35.383 9.264 29.701 1.00 65.84 H new ATOM 0 HE ARG D 4 35.147 7.076 31.290 1.00 68.13 H new ATOM 0 HH11 ARG D 4 36.167 8.088 28.303 1.00 72.37 H new ATOM 0 HH12 ARG D 4 36.139 6.750 27.648 1.00 72.37 H new ATOM 0 HH21 ARG D 4 35.092 5.019 30.264 1.00 70.71 H new ATOM 0 HH22 ARG D 4 35.489 4.896 28.834 1.00 70.71 H new ATOM 462 N LEU D 5 36.608 12.515 32.421 1.00 49.44 N ATOM 463 CA LEU D 5 35.653 12.944 33.447 1.00 48.02 C ATOM 464 C LEU D 5 35.160 14.380 33.119 1.00 47.04 C ATOM 465 O LEU D 5 33.990 14.665 33.321 1.00 45.97 O ATOM 466 CB LEU D 5 36.249 12.839 34.860 1.00 47.49 C ATOM 467 CG LEU D 5 36.392 11.474 35.546 1.00 45.93 C ATOM 468 CD1 LEU D 5 37.243 11.610 36.811 1.00 49.69 C ATOM 469 CD2 LEU D 5 35.084 10.905 35.933 1.00 45.89 C ATOM 0 H LEU D 5 37.426 12.495 32.685 1.00 49.44 H new ATOM 0 HA LEU D 5 34.888 12.347 33.438 1.00 48.02 H new ATOM 0 HB2 LEU D 5 37.133 13.237 34.828 1.00 47.49 H new ATOM 0 HB3 LEU D 5 35.708 13.396 35.441 1.00 47.49 H new ATOM 0 HG LEU D 5 36.814 10.881 34.905 1.00 45.93 H new ATOM 0 HD11 LEU D 5 37.329 10.743 37.238 1.00 49.69 H new ATOM 0 HD12 LEU D 5 38.123 11.942 36.575 1.00 49.69 H new ATOM 0 HD13 LEU D 5 36.817 12.231 37.422 1.00 49.69 H new ATOM 0 HD21 LEU D 5 35.219 10.045 36.362 1.00 45.89 H new ATOM 0 HD22 LEU D 5 34.639 11.507 36.550 1.00 45.89 H new ATOM 0 HD23 LEU D 5 34.535 10.789 35.142 1.00 45.89 H new ATOM 470 N LYS D 6 36.049 15.217 32.560 1.00 45.47 N ATOM 471 CA LYS D 6 35.746 16.606 32.195 1.00 46.31 C ATOM 472 C LYS D 6 34.765 16.691 31.044 1.00 44.64 C ATOM 473 O LYS D 6 33.928 17.554 31.008 1.00 44.84 O ATOM 474 CB LYS D 6 37.004 17.428 31.885 1.00 46.72 C ATOM 475 CG LYS D 6 37.771 17.769 33.146 1.00 50.36 C ATOM 476 CD LYS D 6 38.850 18.823 32.922 1.00 55.30 C ATOM 477 CE LYS D 6 39.513 19.153 34.253 1.00 58.70 C ATOM 478 NZ LYS D 6 40.351 20.410 34.199 1.00 62.26 N ATOM 0 H LYS D 6 36.858 14.986 32.381 1.00 45.47 H new ATOM 0 HA LYS D 6 35.330 16.996 32.979 1.00 46.31 H new ATOM 0 HB2 LYS D 6 37.577 16.929 31.282 1.00 46.72 H new ATOM 0 HB3 LYS D 6 36.753 18.245 31.427 1.00 46.72 H new ATOM 0 HG2 LYS D 6 37.150 18.087 33.820 1.00 50.36 H new ATOM 0 HG3 LYS D 6 38.181 16.963 33.497 1.00 50.36 H new ATOM 0 HD2 LYS D 6 39.511 18.496 32.292 1.00 55.30 H new ATOM 0 HD3 LYS D 6 38.461 19.623 32.535 1.00 55.30 H new ATOM 0 HE2 LYS D 6 38.829 19.255 34.933 1.00 58.70 H new ATOM 0 HE3 LYS D 6 40.073 18.408 34.523 1.00 58.70 H new ATOM 0 HZ1 LYS D 6 40.715 20.559 34.997 1.00 62.26 H new ATOM 0 HZ2 LYS D 6 40.995 20.312 33.593 1.00 62.26 H new ATOM 0 HZ3 LYS D 6 39.836 21.101 33.975 1.00 62.26 H new ATOM 479 N GLN D 7 34.857 15.744 30.146 1.00 43.85 N ATOM 480 CA GLN D 7 33.993 15.669 29.007 1.00 44.29 C ATOM 481 C GLN D 7 32.597 15.204 29.404 1.00 42.48 C ATOM 482 O GLN D 7 31.607 15.692 28.863 1.00 43.29 O ATOM 483 CB GLN D 7 34.605 14.716 27.974 1.00 44.76 C ATOM 484 CG GLN D 7 35.866 15.294 27.344 1.00 49.60 C ATOM 485 CD GLN D 7 36.568 14.272 26.457 1.00 56.22 C ATOM 486 OE1 GLN D 7 35.920 13.394 25.883 1.00 58.13 O ATOM 487 NE2 GLN D 7 37.904 14.381 26.349 1.00 60.20 N ATOM 0 H GLN D 7 35.439 15.112 30.184 1.00 43.85 H new ATOM 0 HA GLN D 7 33.905 16.554 28.620 1.00 44.29 H new ATOM 0 HB2 GLN D 7 34.815 13.870 28.400 1.00 44.76 H new ATOM 0 HB3 GLN D 7 33.953 14.530 27.280 1.00 44.76 H new ATOM 0 HG2 GLN D 7 35.637 16.077 26.819 1.00 49.60 H new ATOM 0 HG3 GLN D 7 36.472 15.588 28.042 1.00 49.60 H new ATOM 0 HE21 GLN D 7 38.319 15.008 26.766 1.00 60.20 H new ATOM 0 HE22 GLN D 7 38.343 13.824 25.863 1.00 60.20 H new ATOM 488 N LYS D 8 32.557 14.245 30.326 1.00 40.80 N ATOM 489 CA LYS D 8 31.354 13.775 30.959 1.00 39.10 C ATOM 490 C LYS D 8 30.761 14.963 31.701 1.00 36.44 C ATOM 491 O LYS D 8 29.620 15.263 31.514 1.00 35.95 O ATOM 492 CB LYS D 8 31.647 12.580 31.899 1.00 39.85 C ATOM 493 CG LYS D 8 30.387 11.701 32.240 1.00 43.58 C ATOM 494 CD LYS D 8 30.650 10.487 33.221 1.00 49.07 C ATOM 495 CE LYS D 8 31.882 9.585 32.837 1.00 53.76 C ATOM 496 NZ LYS D 8 32.701 9.024 34.046 1.00 53.69 N ATOM 0 H LYS D 8 33.264 13.841 30.604 1.00 40.80 H new ATOM 0 HA LYS D 8 30.720 13.440 30.306 1.00 39.10 H new ATOM 0 HB2 LYS D 8 32.320 12.016 31.488 1.00 39.85 H new ATOM 0 HB3 LYS D 8 32.026 12.917 32.726 1.00 39.85 H new ATOM 0 HG2 LYS D 8 29.709 12.273 32.633 1.00 43.58 H new ATOM 0 HG3 LYS D 8 30.020 11.354 31.412 1.00 43.58 H new ATOM 0 HD2 LYS D 8 30.786 10.834 34.116 1.00 49.07 H new ATOM 0 HD3 LYS D 8 29.855 9.932 33.249 1.00 49.07 H new ATOM 0 HE2 LYS D 8 31.564 8.838 32.306 1.00 53.76 H new ATOM 0 HE3 LYS D 8 32.479 10.101 32.273 1.00 53.76 H new ATOM 0 HZ1 LYS D 8 33.552 8.920 33.806 1.00 53.69 H new ATOM 0 HZ2 LYS D 8 32.653 9.594 34.727 1.00 53.69 H new ATOM 0 HZ3 LYS D 8 32.365 8.238 34.293 1.00 53.69 H new ATOM 497 N ASN D 9 31.563 15.690 32.458 1.00 35.13 N ATOM 498 CA ASN D 9 31.067 16.839 33.211 1.00 35.92 C ATOM 499 C ASN D 9 30.344 17.833 32.289 1.00 35.47 C ATOM 500 O ASN D 9 29.224 18.288 32.565 1.00 35.55 O ATOM 501 CB ASN D 9 32.224 17.506 33.975 1.00 35.77 C ATOM 502 CG ASN D 9 31.760 18.586 34.981 1.00 35.60 C ATOM 503 OD1 ASN D 9 32.017 19.760 34.762 1.00 34.46 O ATOM 504 ND2 ASN D 9 31.100 18.186 36.090 1.00 32.02 N ATOM 0 H ASN D 9 32.404 15.538 32.553 1.00 35.13 H new ATOM 0 HA ASN D 9 30.416 16.531 33.860 1.00 35.92 H new ATOM 0 HB2 ASN D 9 32.723 16.824 34.451 1.00 35.77 H new ATOM 0 HB3 ASN D 9 32.833 17.909 33.337 1.00 35.77 H new ATOM 0 HD21 ASN D 9 30.845 18.766 36.672 1.00 32.02 H new ATOM 0 HD22 ASN D 9 30.935 17.351 36.214 1.00 32.02 H new ATOM 505 N ALA D 10 30.978 18.130 31.166 1.00 35.63 N ATOM 506 CA ALA D 10 30.447 19.088 30.219 1.00 35.47 C ATOM 507 C ALA D 10 29.137 18.552 29.607 1.00 35.07 C ATOM 508 O ALA D 10 28.168 19.324 29.406 1.00 33.81 O ATOM 509 CB ALA D 10 31.493 19.324 29.115 1.00 36.32 C ATOM 0 H ALA D 10 31.729 17.781 30.933 1.00 35.63 H new ATOM 0 HA ALA D 10 30.254 19.925 30.669 1.00 35.47 H new ATOM 0 HB1 ALA D 10 31.148 19.965 28.474 1.00 36.32 H new ATOM 0 HB2 ALA D 10 32.309 19.670 29.510 1.00 36.32 H new ATOM 0 HB3 ALA D 10 31.683 18.486 28.664 1.00 36.32 H new ATOM 510 N ARG D 11 29.120 17.244 29.311 1.00 34.76 N ATOM 511 CA ARG D 11 27.921 16.586 28.714 1.00 36.32 C ATOM 512 C ARG D 11 26.740 16.518 29.669 1.00 34.89 C ATOM 513 O ARG D 11 25.598 16.641 29.265 1.00 35.36 O ATOM 514 CB ARG D 11 28.257 15.178 28.181 1.00 37.23 C ATOM 515 CG ARG D 11 29.198 15.171 26.900 1.00 43.78 C ATOM 516 CD ARG D 11 29.863 13.767 26.659 1.00 52.75 C ATOM 517 NE ARG D 11 30.323 13.535 25.268 1.00 58.36 N ATOM 518 CZ ARG D 11 29.698 12.747 24.375 1.00 60.47 C ATOM 519 NH1 ARG D 11 28.594 12.077 24.710 1.00 60.69 N ATOM 520 NH2 ARG D 11 30.179 12.613 23.142 1.00 59.03 N ATOM 0 H ARG D 11 29.785 16.715 29.444 1.00 34.76 H new ATOM 0 HA ARG D 11 27.655 17.149 27.970 1.00 36.32 H new ATOM 0 HB2 ARG D 11 28.686 14.670 28.887 1.00 37.23 H new ATOM 0 HB3 ARG D 11 27.430 14.720 27.964 1.00 37.23 H new ATOM 0 HG2 ARG D 11 28.680 15.420 26.119 1.00 43.78 H new ATOM 0 HG3 ARG D 11 29.891 15.841 27.006 1.00 43.78 H new ATOM 0 HD2 ARG D 11 30.620 13.673 27.258 1.00 52.75 H new ATOM 0 HD3 ARG D 11 29.226 13.075 26.897 1.00 52.75 H new ATOM 0 HE ARG D 11 31.042 13.933 25.014 1.00 58.36 H new ATOM 0 HH11 ARG D 11 28.274 12.146 25.505 1.00 60.69 H new ATOM 0 HH12 ARG D 11 28.203 11.576 24.131 1.00 60.69 H new ATOM 0 HH21 ARG D 11 30.894 13.032 22.912 1.00 59.03 H new ATOM 0 HH22 ARG D 11 29.775 12.108 22.575 1.00 59.03 H new ATOM 521 N LEU D 12 27.015 16.317 30.951 1.00 34.33 N ATOM 522 CA LEU D 12 25.977 16.364 31.990 1.00 32.86 C ATOM 523 C LEU D 12 25.474 17.800 32.238 1.00 32.99 C ATOM 524 O LEU D 12 24.296 18.012 32.439 1.00 33.14 O ATOM 525 CB LEU D 12 26.501 15.755 33.289 1.00 32.15 C ATOM 526 CG LEU D 12 26.881 14.263 33.259 1.00 31.72 C ATOM 527 CD1 LEU D 12 27.650 13.832 34.477 1.00 27.18 C ATOM 528 CD2 LEU D 12 25.665 13.319 32.984 1.00 31.83 C ATOM 0 H LEU D 12 27.804 16.150 31.249 1.00 34.33 H new ATOM 0 HA LEU D 12 25.223 15.842 31.673 1.00 32.86 H new ATOM 0 HB2 LEU D 12 27.282 16.259 33.565 1.00 32.15 H new ATOM 0 HB3 LEU D 12 25.826 15.880 33.974 1.00 32.15 H new ATOM 0 HG LEU D 12 27.477 14.172 32.499 1.00 31.72 H new ATOM 0 HD11 LEU D 12 27.863 12.888 34.408 1.00 27.18 H new ATOM 0 HD12 LEU D 12 28.471 14.345 34.540 1.00 27.18 H new ATOM 0 HD13 LEU D 12 27.112 13.984 35.270 1.00 27.18 H new ATOM 0 HD21 LEU D 12 25.966 12.397 32.977 1.00 31.83 H new ATOM 0 HD22 LEU D 12 25.000 13.436 33.680 1.00 31.83 H new ATOM 0 HD23 LEU D 12 25.274 13.537 32.124 1.00 31.83 H new ATOM 529 N LYS D 13 26.351 18.790 32.201 1.00 32.60 N ATOM 530 CA LYS D 13 25.883 20.182 32.250 1.00 33.23 C ATOM 531 C LYS D 13 24.987 20.549 31.068 1.00 33.16 C ATOM 532 O LYS D 13 23.995 21.266 31.218 1.00 32.79 O ATOM 533 CB LYS D 13 27.038 21.170 32.315 1.00 32.69 C ATOM 534 CG LYS D 13 27.731 21.175 33.656 1.00 34.24 C ATOM 535 CD LYS D 13 29.063 21.962 33.601 1.00 38.17 C ATOM 536 CE LYS D 13 29.694 22.030 34.999 1.00 42.38 C ATOM 537 NZ LYS D 13 31.072 22.695 35.006 1.00 45.93 N ATOM 0 H LYS D 13 27.204 18.691 32.149 1.00 32.60 H new ATOM 0 HA LYS D 13 25.359 20.243 33.064 1.00 33.23 H new ATOM 0 HB2 LYS D 13 27.683 20.953 31.624 1.00 32.69 H new ATOM 0 HB3 LYS D 13 26.706 22.061 32.124 1.00 32.69 H new ATOM 0 HG2 LYS D 13 27.147 21.570 34.322 1.00 34.24 H new ATOM 0 HG3 LYS D 13 27.904 20.263 33.936 1.00 34.24 H new ATOM 0 HD2 LYS D 13 29.675 21.533 32.983 1.00 38.17 H new ATOM 0 HD3 LYS D 13 28.904 22.858 33.266 1.00 38.17 H new ATOM 0 HE2 LYS D 13 29.102 22.520 35.591 1.00 42.38 H new ATOM 0 HE3 LYS D 13 29.773 21.132 35.356 1.00 42.38 H new ATOM 0 HZ1 LYS D 13 31.169 23.169 35.753 1.00 45.93 H new ATOM 0 HZ2 LYS D 13 31.704 22.069 34.968 1.00 45.93 H new ATOM 0 HZ3 LYS D 13 31.146 23.234 34.301 1.00 45.93 H new ATOM 538 N GLN D 14 25.353 20.074 29.891 1.00 33.09 N ATOM 539 CA GLN D 14 24.573 20.369 28.714 1.00 32.88 C ATOM 540 C GLN D 14 23.230 19.624 28.800 1.00 33.11 C ATOM 541 O GLN D 14 22.236 20.174 28.436 1.00 32.87 O ATOM 542 CB GLN D 14 25.340 19.944 27.466 1.00 32.81 C ATOM 543 CG GLN D 14 26.598 20.768 27.325 1.00 33.34 C ATOM 544 CD GLN D 14 27.484 20.303 26.175 1.00 33.18 C ATOM 545 OE1 GLN D 14 28.281 21.053 25.686 1.00 35.27 O ATOM 546 NE2 GLN D 14 27.334 19.088 25.771 1.00 30.70 N ATOM 0 H GLN D 14 26.046 19.582 29.756 1.00 33.09 H new ATOM 0 HA GLN D 14 24.405 21.323 28.661 1.00 32.88 H new ATOM 0 HB2 GLN D 14 25.566 19.002 27.522 1.00 32.81 H new ATOM 0 HB3 GLN D 14 24.782 20.056 26.681 1.00 32.81 H new ATOM 0 HG2 GLN D 14 26.357 21.697 27.187 1.00 33.34 H new ATOM 0 HG3 GLN D 14 27.102 20.726 28.153 1.00 33.34 H new ATOM 0 HE21 GLN D 14 26.751 18.579 26.146 1.00 30.70 H new ATOM 0 HE22 GLN D 14 27.817 18.787 25.126 1.00 30.70 H new ATOM 547 N GLU D 15 23.203 18.399 29.305 1.00 32.12 N ATOM 548 CA GLU D 15 21.925 17.736 29.439 1.00 33.14 C ATOM 549 C GLU D 15 21.004 18.462 30.483 1.00 32.46 C ATOM 550 O GLU D 15 19.809 18.685 30.224 1.00 32.74 O ATOM 551 CB GLU D 15 22.131 16.234 29.730 1.00 33.78 C ATOM 552 CG GLU D 15 20.860 15.551 30.132 1.00 39.33 C ATOM 553 CD GLU D 15 20.932 14.030 30.075 1.00 47.32 C ATOM 554 OE1 GLU D 15 22.024 13.472 30.357 1.00 47.45 O ATOM 555 OE2 GLU D 15 19.878 13.393 29.741 1.00 49.21 O ATOM 0 H GLU D 15 23.888 17.950 29.567 1.00 32.12 H new ATOM 0 HA GLU D 15 21.448 17.794 28.596 1.00 33.14 H new ATOM 0 HB2 GLU D 15 22.492 15.801 28.941 1.00 33.78 H new ATOM 0 HB3 GLU D 15 22.788 16.131 30.436 1.00 33.78 H new ATOM 0 HG2 GLU D 15 20.629 15.821 31.034 1.00 39.33 H new ATOM 0 HG3 GLU D 15 20.143 15.854 29.553 1.00 39.33 H new ATOM 556 N ILE D 16 21.572 18.915 31.600 1.00 30.83 N ATOM 557 CA ILE D 16 20.815 19.702 32.555 1.00 30.65 C ATOM 558 C ILE D 16 20.263 21.012 31.945 1.00 31.87 C ATOM 559 O ILE D 16 19.138 21.425 32.256 1.00 30.29 O ATOM 560 CB ILE D 16 21.668 20.039 33.713 1.00 30.97 C ATOM 561 CG1 ILE D 16 21.856 18.778 34.570 1.00 31.27 C ATOM 562 CG2 ILE D 16 21.077 21.230 34.555 1.00 27.73 C ATOM 563 CD1 ILE D 16 22.834 18.966 35.691 1.00 32.54 C ATOM 0 H ILE D 16 22.392 18.775 31.818 1.00 30.83 H new ATOM 0 HA ILE D 16 20.059 19.160 32.829 1.00 30.65 H new ATOM 0 HB ILE D 16 22.531 20.343 33.392 1.00 30.97 H new ATOM 0 HG12 ILE D 16 20.998 18.513 34.938 1.00 31.27 H new ATOM 0 HG13 ILE D 16 22.158 18.051 34.003 1.00 31.27 H new ATOM 0 HG21 ILE D 16 21.664 21.420 35.304 1.00 27.73 H new ATOM 0 HG22 ILE D 16 21.004 22.018 33.994 1.00 27.73 H new ATOM 0 HG23 ILE D 16 20.199 20.987 34.887 1.00 27.73 H new ATOM 0 HD11 ILE D 16 22.911 18.141 36.195 1.00 32.54 H new ATOM 0 HD12 ILE D 16 23.701 19.205 35.328 1.00 32.54 H new ATOM 0 HD13 ILE D 16 22.523 19.674 36.277 1.00 32.54 H new ATOM 564 N ALA D 17 21.058 21.667 31.092 1.00 31.14 N ATOM 565 CA ALA D 17 20.581 22.886 30.477 1.00 31.73 C ATOM 566 C ALA D 17 19.409 22.601 29.562 1.00 31.22 C ATOM 567 O ALA D 17 18.454 23.358 29.562 1.00 29.79 O ATOM 568 CB ALA D 17 21.733 23.665 29.700 1.00 30.32 C ATOM 0 H ALA D 17 21.852 21.424 30.867 1.00 31.14 H new ATOM 0 HA ALA D 17 20.282 23.468 31.193 1.00 31.73 H new ATOM 0 HB1 ALA D 17 21.368 24.473 29.305 1.00 30.32 H new ATOM 0 HB2 ALA D 17 22.441 23.900 30.321 1.00 30.32 H new ATOM 0 HB3 ALA D 17 22.092 23.098 29.000 1.00 30.32 H new ATOM 569 N ALA D 18 19.497 21.533 28.767 1.00 30.94 N ATOM 570 CA ALA D 18 18.435 21.231 27.824 1.00 32.80 C ATOM 571 C ALA D 18 17.130 20.871 28.527 1.00 33.88 C ATOM 572 O ALA D 18 16.053 21.205 28.029 1.00 35.07 O ATOM 573 CB ALA D 18 18.846 20.121 26.835 1.00 33.28 C ATOM 0 H ALA D 18 20.156 20.981 28.762 1.00 30.94 H new ATOM 0 HA ALA D 18 18.281 22.042 27.315 1.00 32.80 H new ATOM 0 HB1 ALA D 18 18.115 19.946 26.222 1.00 33.28 H new ATOM 0 HB2 ALA D 18 19.626 20.406 26.334 1.00 33.28 H new ATOM 0 HB3 ALA D 18 19.056 19.311 27.326 1.00 33.28 H new ATOM 574 N LEU D 19 17.230 20.198 29.678 1.00 32.95 N ATOM 575 CA LEU D 19 16.064 19.851 30.444 1.00 33.21 C ATOM 576 C LEU D 19 15.492 21.063 31.103 1.00 32.53 C ATOM 577 O LEU D 19 14.309 21.167 31.265 1.00 33.88 O ATOM 578 CB LEU D 19 16.372 18.783 31.523 1.00 31.43 C ATOM 579 CG LEU D 19 16.935 17.509 30.921 1.00 34.35 C ATOM 580 CD1 LEU D 19 17.661 16.601 32.006 1.00 28.24 C ATOM 581 CD2 LEU D 19 15.891 16.725 30.024 1.00 34.61 C ATOM 0 H LEU D 19 17.974 19.938 30.022 1.00 32.95 H new ATOM 0 HA LEU D 19 15.420 19.477 29.822 1.00 33.21 H new ATOM 0 HB2 LEU D 19 17.005 19.144 32.163 1.00 31.43 H new ATOM 0 HB3 LEU D 19 15.561 18.577 32.013 1.00 31.43 H new ATOM 0 HG LEU D 19 17.629 17.783 30.301 1.00 34.35 H new ATOM 0 HD11 LEU D 19 18.005 15.800 31.580 1.00 28.24 H new ATOM 0 HD12 LEU D 19 18.395 17.096 32.404 1.00 28.24 H new ATOM 0 HD13 LEU D 19 17.027 16.353 32.697 1.00 28.24 H new ATOM 0 HD21 LEU D 19 16.307 15.924 29.669 1.00 34.61 H new ATOM 0 HD22 LEU D 19 15.122 16.479 30.562 1.00 34.61 H new ATOM 0 HD23 LEU D 19 15.604 17.292 29.291 1.00 34.61 H new ATOM 582 N GLU D 20 16.328 21.966 31.536 1.00 33.35 N ATOM 583 CA GLU D 20 15.808 23.166 32.170 1.00 35.02 C ATOM 584 C GLU D 20 15.087 24.065 31.162 1.00 35.10 C ATOM 585 O GLU D 20 14.053 24.659 31.494 1.00 35.45 O ATOM 586 CB GLU D 20 16.918 23.906 32.943 1.00 35.57 C ATOM 587 CG GLU D 20 17.192 23.217 34.314 1.00 37.60 C ATOM 588 CD GLU D 20 18.398 23.789 35.055 1.00 44.15 C ATOM 589 OE1 GLU D 20 19.275 24.392 34.384 1.00 40.71 O ATOM 590 OE2 GLU D 20 18.480 23.618 36.317 1.00 47.19 O ATOM 0 H GLU D 20 17.185 21.917 31.480 1.00 33.35 H new ATOM 0 HA GLU D 20 15.141 22.901 32.822 1.00 35.02 H new ATOM 0 HB2 GLU D 20 17.732 23.920 32.415 1.00 35.57 H new ATOM 0 HB3 GLU D 20 16.657 24.829 33.087 1.00 35.57 H new ATOM 0 HG2 GLU D 20 16.406 23.305 34.875 1.00 37.60 H new ATOM 0 HG3 GLU D 20 17.331 22.268 34.169 1.00 37.60 H new ATOM 591 N TYR D 21 15.631 24.144 29.953 1.00 34.35 N ATOM 592 CA TYR D 21 14.996 24.825 28.829 1.00 36.09 C ATOM 593 C TYR D 21 13.614 24.244 28.593 1.00 36.79 C ATOM 594 O TYR D 21 12.666 24.986 28.450 1.00 38.03 O ATOM 595 CB TYR D 21 15.897 24.767 27.557 1.00 35.17 C ATOM 596 CG TYR D 21 15.264 25.282 26.255 1.00 33.90 C ATOM 597 CD1 TYR D 21 14.335 24.505 25.542 1.00 35.93 C ATOM 598 CD2 TYR D 21 15.614 26.524 25.718 1.00 30.53 C ATOM 599 CE1 TYR D 21 13.712 24.989 24.355 1.00 32.30 C ATOM 600 CE2 TYR D 21 14.991 27.003 24.545 1.00 35.57 C ATOM 601 CZ TYR D 21 14.075 26.214 23.860 1.00 33.53 C ATOM 602 OH TYR D 21 13.500 26.695 22.705 1.00 37.11 O ATOM 0 H TYR D 21 16.394 23.797 29.759 1.00 34.35 H new ATOM 0 HA TYR D 21 14.888 25.765 29.042 1.00 36.09 H new ATOM 0 HB2 TYR D 21 16.701 25.281 27.729 1.00 35.17 H new ATOM 0 HB3 TYR D 21 16.172 23.847 27.420 1.00 35.17 H new ATOM 0 HD1 TYR D 21 14.122 23.655 25.852 1.00 35.93 H new ATOM 0 HD2 TYR D 21 16.264 27.040 26.138 1.00 30.53 H new ATOM 0 HE1 TYR D 21 13.066 24.479 23.921 1.00 32.30 H new ATOM 0 HE2 TYR D 21 15.195 27.853 24.228 1.00 35.57 H new ATOM 0 HH TYR D 21 13.818 27.452 22.527 1.00 37.11 H new ATOM 603 N GLU D 22 13.493 22.921 28.581 1.00 38.46 N ATOM 604 CA GLU D 22 12.189 22.292 28.363 1.00 39.86 C ATOM 605 C GLU D 22 11.215 22.607 29.497 1.00 39.82 C ATOM 606 O GLU D 22 10.045 22.946 29.235 1.00 39.65 O ATOM 607 CB GLU D 22 12.337 20.772 28.171 1.00 40.23 C ATOM 608 CG GLU D 22 11.068 19.983 28.395 1.00 45.44 C ATOM 609 CD GLU D 22 11.048 18.624 27.663 1.00 54.46 C ATOM 610 OE1 GLU D 22 12.107 17.930 27.594 1.00 55.98 O ATOM 611 OE2 GLU D 22 9.946 18.254 27.164 1.00 56.72 O ATOM 0 H GLU D 22 14.145 22.372 28.696 1.00 38.46 H new ATOM 0 HA GLU D 22 11.818 22.666 27.548 1.00 39.86 H new ATOM 0 HB2 GLU D 22 12.655 20.601 27.271 1.00 40.23 H new ATOM 0 HB3 GLU D 22 13.018 20.446 28.780 1.00 40.23 H new ATOM 0 HG2 GLU D 22 10.954 19.831 29.346 1.00 45.44 H new ATOM 0 HG3 GLU D 22 10.311 20.512 28.100 1.00 45.44 H new ATOM 612 N ILE D 23 11.668 22.446 30.750 1.00 39.85 N ATOM 613 CA ILE D 23 10.854 22.829 31.909 1.00 40.26 C ATOM 614 C ILE D 23 10.246 24.275 31.851 1.00 41.25 C ATOM 615 O ILE D 23 9.046 24.472 32.123 1.00 41.01 O ATOM 616 CB ILE D 23 11.594 22.630 33.198 1.00 39.82 C ATOM 617 CG1 ILE D 23 11.783 21.136 33.475 1.00 40.25 C ATOM 618 CG2 ILE D 23 10.809 23.254 34.393 1.00 40.40 C ATOM 619 CD1 ILE D 23 12.760 20.832 34.670 1.00 36.97 C ATOM 0 H ILE D 23 12.439 22.119 30.946 1.00 39.85 H new ATOM 0 HA ILE D 23 10.096 22.224 31.872 1.00 40.26 H new ATOM 0 HB ILE D 23 12.456 23.067 33.112 1.00 39.82 H new ATOM 0 HG12 ILE D 23 10.919 20.739 33.665 1.00 40.25 H new ATOM 0 HG13 ILE D 23 12.122 20.707 32.674 1.00 40.25 H new ATOM 0 HG21 ILE D 23 11.305 23.114 35.215 1.00 40.40 H new ATOM 0 HG22 ILE D 23 10.694 24.206 34.243 1.00 40.40 H new ATOM 0 HG23 ILE D 23 9.939 22.831 34.465 1.00 40.40 H new ATOM 0 HD11 ILE D 23 12.835 19.872 34.791 1.00 36.97 H new ATOM 0 HD12 ILE D 23 13.635 21.202 34.475 1.00 36.97 H new ATOM 0 HD13 ILE D 23 12.413 21.234 35.482 1.00 36.97 H new ATOM 620 N ALA D 24 11.059 25.267 31.509 1.00 41.62 N ATOM 621 CA ALA D 24 10.560 26.629 31.371 1.00 43.72 C ATOM 622 C ALA D 24 9.502 26.785 30.253 1.00 45.55 C ATOM 623 O ALA D 24 8.614 27.620 30.384 1.00 46.72 O ATOM 624 CB ALA D 24 11.706 27.641 31.185 1.00 43.14 C ATOM 0 H ALA D 24 11.900 25.174 31.353 1.00 41.62 H new ATOM 0 HA ALA D 24 10.110 26.827 32.207 1.00 43.72 H new ATOM 0 HB1 ALA D 24 11.338 28.534 31.097 1.00 43.14 H new ATOM 0 HB2 ALA D 24 12.295 27.609 31.955 1.00 43.14 H new ATOM 0 HB3 ALA D 24 12.208 27.418 30.386 1.00 43.14 H new ATOM 625 N ALA D 25 9.555 25.994 29.189 1.00 47.12 N ATOM 626 CA ALA D 25 8.437 25.985 28.233 1.00 50.06 C ATOM 627 C ALA D 25 7.207 25.339 28.867 1.00 52.40 C ATOM 628 O ALA D 25 6.108 25.818 28.693 1.00 53.31 O ATOM 629 CB ALA D 25 8.801 25.260 26.936 1.00 49.04 C ATOM 0 H ALA D 25 10.207 25.466 28.999 1.00 47.12 H new ATOM 0 HA ALA D 25 8.238 26.907 28.008 1.00 50.06 H new ATOM 0 HB1 ALA D 25 8.042 25.275 26.333 1.00 49.04 H new ATOM 0 HB2 ALA D 25 9.555 25.704 26.517 1.00 49.04 H new ATOM 0 HB3 ALA D 25 9.038 24.341 27.135 1.00 49.04 H new ATOM 630 N LEU D 26 7.394 24.247 29.606 1.00 55.06 N ATOM 631 CA LEU D 26 6.256 23.482 30.092 1.00 57.55 C ATOM 632 C LEU D 26 5.605 24.152 31.292 1.00 59.68 C ATOM 633 O LEU D 26 4.466 23.858 31.620 1.00 60.42 O ATOM 634 CB LEU D 26 6.630 22.024 30.419 1.00 57.17 C ATOM 635 CG LEU D 26 7.099 21.045 29.340 1.00 55.65 C ATOM 636 CD1 LEU D 26 7.718 19.831 29.984 1.00 55.56 C ATOM 637 CD2 LEU D 26 5.968 20.615 28.429 1.00 57.31 C ATOM 0 H LEU D 26 8.164 23.938 29.833 1.00 55.06 H new ATOM 0 HA LEU D 26 5.609 23.460 29.369 1.00 57.55 H new ATOM 0 HB2 LEU D 26 7.331 22.059 31.089 1.00 57.17 H new ATOM 0 HB3 LEU D 26 5.854 21.624 30.841 1.00 57.17 H new ATOM 0 HG LEU D 26 7.757 21.506 28.796 1.00 55.65 H new ATOM 0 HD11 LEU D 26 8.013 19.214 29.296 1.00 55.56 H new ATOM 0 HD12 LEU D 26 8.478 20.102 30.522 1.00 55.56 H new ATOM 0 HD13 LEU D 26 7.062 19.394 30.549 1.00 55.56 H new ATOM 0 HD21 LEU D 26 6.306 19.997 27.762 1.00 57.31 H new ATOM 0 HD22 LEU D 26 5.278 20.178 28.953 1.00 57.31 H new ATOM 0 HD23 LEU D 26 5.594 21.394 27.988 1.00 57.31 H new ATOM 638 N GLU D 27 6.316 25.065 31.934 1.00 62.38 N ATOM 639 CA GLU D 27 5.741 25.807 33.036 1.00 64.94 C ATOM 640 C GLU D 27 5.373 27.204 32.574 1.00 66.34 C ATOM 641 O GLU D 27 4.945 28.021 33.393 1.00 67.04 O ATOM 642 CB GLU D 27 6.738 25.908 34.202 1.00 65.54 C ATOM 643 CG GLU D 27 7.143 24.589 34.843 1.00 67.75 C ATOM 644 CD GLU D 27 6.203 24.124 35.952 1.00 73.82 C ATOM 645 OE1 GLU D 27 4.971 23.996 35.704 1.00 75.68 O ATOM 646 OE2 GLU D 27 6.703 23.874 37.083 1.00 76.09 O ATOM 0 H GLU D 27 7.130 25.268 31.747 1.00 62.38 H new ATOM 0 HA GLU D 27 4.948 25.339 33.340 1.00 64.94 H new ATOM 0 HB2 GLU D 27 7.539 26.352 33.883 1.00 65.54 H new ATOM 0 HB3 GLU D 27 6.352 26.476 34.887 1.00 65.54 H new ATOM 0 HG2 GLU D 27 7.182 23.905 34.157 1.00 67.75 H new ATOM 0 HG3 GLU D 27 8.038 24.678 35.206 1.00 67.75 H new ATOM 647 N GLN D 28 5.540 27.475 31.270 1.00 67.73 N ATOM 648 CA GLN D 28 5.451 28.842 30.693 1.00 68.86 C ATOM 649 C GLN D 28 4.092 29.515 30.887 1.00 69.88 C ATOM 650 O GLN D 28 4.006 30.752 30.964 1.00 70.60 O ATOM 651 CB GLN D 28 5.853 28.847 29.196 1.00 69.46 C ATOM 652 CG GLN D 28 5.264 29.976 28.312 1.00 69.74 C ATOM 653 CD GLN D 28 5.707 29.887 26.855 1.00 73.94 C ATOM 654 OE1 GLN D 28 6.293 28.876 26.415 1.00 73.77 O ATOM 655 NE2 GLN D 28 5.417 30.950 26.084 1.00 74.86 N ATOM 0 H GLN D 28 5.710 26.868 30.685 1.00 67.73 H new ATOM 0 HA GLN D 28 6.087 29.374 31.196 1.00 68.86 H new ATOM 0 HB2 GLN D 28 6.820 28.897 29.144 1.00 69.46 H new ATOM 0 HB3 GLN D 28 5.592 27.996 28.811 1.00 69.46 H new ATOM 0 HG2 GLN D 28 4.296 29.940 28.353 1.00 69.74 H new ATOM 0 HG3 GLN D 28 5.531 30.835 28.674 1.00 69.74 H new ATOM 0 HE21 GLN D 28 5.012 31.629 26.422 1.00 74.86 H new ATOM 0 HE22 GLN D 28 5.636 30.951 25.252 1.00 74.86 H new TER 656 GLN D 28 ATOM 657 N GLU E 1 43.205 7.853 41.444 1.00 62.56 N ATOM 658 CA GLU E 1 42.774 8.862 42.461 1.00 62.49 C ATOM 659 C GLU E 1 42.042 8.211 43.664 1.00 61.47 C ATOM 660 O GLU E 1 42.723 7.485 44.410 1.00 61.92 O ATOM 661 CB GLU E 1 42.041 10.047 41.814 1.00 62.87 C ATOM 662 CG GLU E 1 42.864 11.331 41.671 1.00 66.03 C ATOM 663 CD GLU E 1 43.473 11.535 40.274 1.00 69.98 C ATOM 664 OE1 GLU E 1 43.052 10.841 39.322 1.00 70.21 O ATOM 665 OE2 GLU E 1 44.368 12.413 40.125 1.00 71.48 O ATOM 0 H1 GLU E 1 43.619 8.266 40.773 1.00 62.56 H new ATOM 0 H2 GLU E 1 43.761 7.270 41.821 1.00 62.56 H new ATOM 0 H3 GLU E 1 42.491 7.423 41.132 1.00 62.56 H new ATOM 0 HA GLU E 1 43.571 9.251 42.854 1.00 62.49 H new ATOM 0 HB2 GLU E 1 41.736 9.777 40.934 1.00 62.87 H new ATOM 0 HB3 GLU E 1 41.250 10.245 42.340 1.00 62.87 H new ATOM 0 HG2 GLU E 1 42.299 12.091 41.881 1.00 66.03 H new ATOM 0 HG3 GLU E 1 43.579 11.320 42.326 1.00 66.03 H new ATOM 666 N ILE E 2 40.732 8.388 43.931 1.00 60.36 N ATOM 667 CA ILE E 2 39.623 9.017 43.160 1.00 58.26 C ATOM 668 C ILE E 2 39.512 10.555 43.063 1.00 56.37 C ATOM 669 O ILE E 2 39.887 11.298 43.967 1.00 56.92 O ATOM 670 CB ILE E 2 38.265 8.468 43.653 1.00 58.18 C ATOM 671 CG1 ILE E 2 37.777 9.228 44.902 1.00 57.97 C ATOM 672 CG2 ILE E 2 38.391 6.957 43.952 1.00 59.27 C ATOM 673 CD1 ILE E 2 36.328 9.546 44.882 1.00 53.34 C ATOM 0 H ILE E 2 40.426 8.099 44.681 1.00 60.36 H new ATOM 0 HA ILE E 2 39.864 8.762 42.256 1.00 58.26 H new ATOM 0 HB ILE E 2 37.607 8.600 42.953 1.00 58.18 H new ATOM 0 HG12 ILE E 2 37.972 8.697 45.690 1.00 57.97 H new ATOM 0 HG13 ILE E 2 38.280 10.054 44.985 1.00 57.97 H new ATOM 0 HG21 ILE E 2 37.537 6.616 44.261 1.00 59.27 H new ATOM 0 HG22 ILE E 2 38.653 6.488 43.144 1.00 59.27 H new ATOM 0 HG23 ILE E 2 39.062 6.818 44.638 1.00 59.27 H new ATOM 0 HD11 ILE E 2 36.090 10.022 45.693 1.00 53.34 H new ATOM 0 HD12 ILE E 2 36.129 10.101 44.112 1.00 53.34 H new ATOM 0 HD13 ILE E 2 35.817 8.723 44.828 1.00 53.34 H new ATOM 674 N ASP E 3 38.943 10.984 41.940 1.00 54.17 N ATOM 675 CA ASP E 3 38.950 12.355 41.458 1.00 51.85 C ATOM 676 C ASP E 3 37.668 13.074 41.872 1.00 49.66 C ATOM 677 O ASP E 3 36.583 12.470 41.847 1.00 48.68 O ATOM 678 CB ASP E 3 39.056 12.307 39.932 1.00 52.74 C ATOM 679 CG ASP E 3 39.527 13.628 39.312 1.00 55.28 C ATOM 680 OD1 ASP E 3 38.976 14.707 39.663 1.00 54.42 O ATOM 681 OD2 ASP E 3 40.440 13.573 38.431 1.00 60.14 O ATOM 0 H ASP E 3 38.521 10.452 41.413 1.00 54.17 H new ATOM 0 HA ASP E 3 39.698 12.841 41.839 1.00 51.85 H new ATOM 0 HB2 ASP E 3 39.672 11.601 39.679 1.00 52.74 H new ATOM 0 HB3 ASP E 3 38.190 12.074 39.562 1.00 52.74 H new ATOM 682 N ALA E 4 37.789 14.350 42.252 1.00 46.80 N ATOM 683 CA ALA E 4 36.644 15.121 42.800 1.00 45.88 C ATOM 684 C ALA E 4 35.435 15.271 41.837 1.00 44.66 C ATOM 685 O ALA E 4 34.310 15.506 42.268 1.00 44.77 O ATOM 686 CB ALA E 4 37.119 16.488 43.307 1.00 45.27 C ATOM 0 H ALA E 4 38.523 14.795 42.204 1.00 46.80 H new ATOM 0 HA ALA E 4 36.304 14.594 43.540 1.00 45.88 H new ATOM 0 HB1 ALA E 4 36.364 16.982 43.662 1.00 45.27 H new ATOM 0 HB2 ALA E 4 37.780 16.362 44.006 1.00 45.27 H new ATOM 0 HB3 ALA E 4 37.514 16.986 42.574 1.00 45.27 H new ATOM 687 N LEU E 5 35.682 15.070 40.544 1.00 43.33 N ATOM 688 CA LEU E 5 34.715 15.284 39.475 1.00 42.03 C ATOM 689 C LEU E 5 33.717 14.156 39.427 1.00 41.06 C ATOM 690 O LEU E 5 32.587 14.300 38.977 1.00 39.48 O ATOM 691 CB LEU E 5 35.492 15.358 38.168 1.00 42.74 C ATOM 692 CG LEU E 5 35.265 16.500 37.184 1.00 44.32 C ATOM 693 CD1 LEU E 5 34.859 17.856 37.827 1.00 44.35 C ATOM 694 CD2 LEU E 5 36.565 16.600 36.440 1.00 45.20 C ATOM 0 H LEU E 5 36.445 14.796 40.257 1.00 43.33 H new ATOM 0 HA LEU E 5 34.220 16.104 39.627 1.00 42.03 H new ATOM 0 HB2 LEU E 5 36.434 15.364 38.398 1.00 42.74 H new ATOM 0 HB3 LEU E 5 35.322 14.532 37.689 1.00 42.74 H new ATOM 0 HG LEU E 5 34.503 16.308 36.615 1.00 44.32 H new ATOM 0 HD11 LEU E 5 34.736 18.520 37.131 1.00 44.35 H new ATOM 0 HD12 LEU E 5 34.030 17.746 38.318 1.00 44.35 H new ATOM 0 HD13 LEU E 5 35.557 18.149 38.433 1.00 44.35 H new ATOM 0 HD21 LEU E 5 36.509 17.312 35.784 1.00 45.20 H new ATOM 0 HD22 LEU E 5 37.282 16.792 37.065 1.00 45.20 H new ATOM 0 HD23 LEU E 5 36.746 15.760 35.990 1.00 45.20 H new ATOM 695 N GLU E 6 34.160 13.022 39.940 1.00 40.98 N ATOM 696 CA GLU E 6 33.336 11.858 40.084 1.00 41.93 C ATOM 697 C GLU E 6 32.133 12.085 41.038 1.00 41.00 C ATOM 698 O GLU E 6 31.029 11.601 40.798 1.00 41.67 O ATOM 699 CB GLU E 6 34.209 10.666 40.520 1.00 42.57 C ATOM 700 CG GLU E 6 33.566 9.328 40.111 1.00 48.06 C ATOM 701 CD GLU E 6 34.271 8.596 38.976 1.00 48.31 C ATOM 702 OE1 GLU E 6 35.512 8.532 38.968 1.00 46.55 O ATOM 703 OE2 GLU E 6 33.572 7.990 38.130 1.00 50.21 O ATOM 0 H GLU E 6 34.967 12.913 40.218 1.00 40.98 H new ATOM 0 HA GLU E 6 32.940 11.658 39.222 1.00 41.93 H new ATOM 0 HB2 GLU E 6 35.089 10.742 40.118 1.00 42.57 H new ATOM 0 HB3 GLU E 6 34.334 10.688 41.482 1.00 42.57 H new ATOM 0 HG2 GLU E 6 33.541 8.746 40.887 1.00 48.06 H new ATOM 0 HG3 GLU E 6 32.646 9.493 39.850 1.00 48.06 H new HETATM 704 N PHI E 7 32.351 12.850 42.096 1.00 39.55 N HETATM 705 CA PHI E 7 31.283 13.185 43.017 1.00 38.38 C HETATM 706 CB PHI E 7 31.915 13.792 44.288 1.00 38.19 C HETATM 707 CG PHI E 7 32.486 12.799 45.253 1.00 38.53 C HETATM 708 CD1 PHI E 7 31.660 11.805 45.814 1.00 39.19 C HETATM 709 CD2 PHI E 7 33.831 12.852 45.624 1.00 41.38 C HETATM 710 CE1 PHI E 7 32.179 10.874 46.720 1.00 37.34 C HETATM 711 CE2 PHI E 7 34.356 11.919 46.559 1.00 38.07 C HETATM 712 CZ PHI E 7 33.527 10.924 47.113 1.00 39.89 C HETATM 713 I PHI E 7 34.228 9.511 48.560 1.00 37.64 I HETATM 714 C PHI E 7 30.451 14.266 42.415 1.00 37.56 C HETATM 715 O PHI E 7 29.248 14.284 42.544 1.00 36.50 O HETATM 0 HE2 PHI E 7 35.290 11.968 46.817 1.00 38.07 H new HETATM 0 HE1 PHI E 7 31.600 10.185 47.082 1.00 37.34 H new HETATM 0 HD2 PHI E 7 34.410 13.529 45.241 1.00 41.38 H new HETATM 0 HD1 PHI E 7 30.722 11.766 45.570 1.00 39.19 H new HETATM 0 HB3 PHI E 7 32.619 14.404 44.021 1.00 38.19 H new HETATM 0 HB2 PHI E 7 31.241 14.317 44.747 1.00 38.19 H new HETATM 0 HA PHI E 7 30.758 12.393 43.210 1.00 38.38 H new HETATM 0 H PHI E 7 33.169 13.002 42.313 1.00 39.55 H new ATOM 716 N GLU E 8 31.114 15.208 41.759 1.00 37.73 N ATOM 717 CA GLU E 8 30.423 16.315 41.123 1.00 37.80 C ATOM 718 C GLU E 8 29.530 15.787 39.986 1.00 36.98 C ATOM 719 O GLU E 8 28.347 16.150 39.887 1.00 37.85 O ATOM 720 CB GLU E 8 31.459 17.370 40.735 1.00 38.13 C ATOM 721 CG GLU E 8 32.211 17.738 42.044 1.00 45.73 C ATOM 722 CD GLU E 8 33.572 18.467 41.925 1.00 55.58 C ATOM 723 OE1 GLU E 8 34.244 18.418 40.855 1.00 57.24 O ATOM 724 OE2 GLU E 8 33.975 19.077 42.962 1.00 57.87 O ATOM 0 H GLU E 8 31.969 15.223 41.671 1.00 37.73 H new ATOM 0 HA GLU E 8 29.804 16.763 41.721 1.00 37.80 H new ATOM 0 HB2 GLU E 8 32.073 17.024 40.068 1.00 38.13 H new ATOM 0 HB3 GLU E 8 31.031 18.151 40.350 1.00 38.13 H new ATOM 0 HG2 GLU E 8 31.622 18.294 42.578 1.00 45.73 H new ATOM 0 HG3 GLU E 8 32.356 16.919 42.543 1.00 45.73 H new ATOM 725 N ASN E 9 30.049 14.874 39.177 1.00 35.07 N ATOM 726 CA ASN E 9 29.238 14.283 38.128 1.00 33.47 C ATOM 727 C ASN E 9 28.072 13.473 38.658 1.00 33.89 C ATOM 728 O ASN E 9 26.991 13.483 38.065 1.00 34.36 O ATOM 729 CB ASN E 9 30.086 13.390 37.207 1.00 32.05 C ATOM 730 CG ASN E 9 31.053 14.189 36.357 1.00 31.75 C ATOM 731 OD1 ASN E 9 31.048 15.411 36.365 1.00 31.23 O ATOM 732 ND2 ASN E 9 31.929 13.500 35.670 1.00 30.57 N ATOM 0 H ASN E 9 30.858 14.587 39.218 1.00 35.07 H new ATOM 0 HA ASN E 9 28.878 15.032 37.627 1.00 33.47 H new ATOM 0 HB2 ASN E 9 30.582 12.754 37.745 1.00 32.05 H new ATOM 0 HB3 ASN E 9 29.500 12.877 36.629 1.00 32.05 H new ATOM 0 HD21 ASN E 9 32.527 13.907 35.204 1.00 30.57 H new ATOM 0 HD22 ASN E 9 31.907 12.640 35.684 1.00 30.57 H new ATOM 733 N ASP E 10 28.300 12.719 39.743 1.00 34.72 N ATOM 734 CA ASP E 10 27.231 11.990 40.382 1.00 34.12 C ATOM 735 C ASP E 10 26.112 12.912 40.821 1.00 33.15 C ATOM 736 O ASP E 10 24.989 12.605 40.570 1.00 33.89 O ATOM 737 CB ASP E 10 27.720 11.146 41.568 1.00 34.81 C ATOM 738 CG ASP E 10 26.595 10.322 42.186 1.00 38.44 C ATOM 739 OD1 ASP E 10 26.080 10.723 43.280 1.00 43.29 O ATOM 740 OD2 ASP E 10 26.158 9.329 41.544 1.00 41.95 O ATOM 0 H ASP E 10 29.070 12.625 40.114 1.00 34.72 H new ATOM 0 HA ASP E 10 26.884 11.380 39.712 1.00 34.12 H new ATOM 0 HB2 ASP E 10 28.429 10.553 41.272 1.00 34.81 H new ATOM 0 HB3 ASP E 10 28.101 11.729 42.243 1.00 34.81 H new ATOM 741 N ALA E 11 26.423 14.007 41.493 1.00 33.29 N ATOM 742 CA ALA E 11 25.447 15.069 41.800 1.00 34.51 C ATOM 743 C ALA E 11 24.770 15.624 40.533 1.00 34.99 C ATOM 744 O ALA E 11 23.568 15.820 40.529 1.00 35.95 O ATOM 745 CB ALA E 11 26.111 16.217 42.629 1.00 33.47 C ATOM 0 H ALA E 11 27.213 14.167 41.792 1.00 33.29 H new ATOM 0 HA ALA E 11 24.750 14.665 42.340 1.00 34.51 H new ATOM 0 HB1 ALA E 11 25.452 16.903 42.819 1.00 33.47 H new ATOM 0 HB2 ALA E 11 26.453 15.858 43.463 1.00 33.47 H new ATOM 0 HB3 ALA E 11 26.841 16.603 42.120 1.00 33.47 H new ATOM 746 N LEU E 12 25.508 15.812 39.429 1.00 35.46 N ATOM 747 CA LEU E 12 24.823 16.259 38.209 1.00 36.30 C ATOM 748 C LEU E 12 23.853 15.205 37.691 1.00 36.58 C ATOM 749 O LEU E 12 22.741 15.522 37.198 1.00 35.86 O ATOM 750 CB LEU E 12 25.772 16.736 37.122 1.00 35.02 C ATOM 751 CG LEU E 12 26.654 17.941 37.490 1.00 36.68 C ATOM 752 CD1 LEU E 12 27.659 18.133 36.339 1.00 36.39 C ATOM 753 CD2 LEU E 12 25.858 19.273 37.752 1.00 38.14 C ATOM 0 H LEU E 12 26.358 15.694 39.365 1.00 35.46 H new ATOM 0 HA LEU E 12 24.305 17.038 38.465 1.00 36.30 H new ATOM 0 HB2 LEU E 12 26.349 15.998 36.872 1.00 35.02 H new ATOM 0 HB3 LEU E 12 25.250 16.966 36.337 1.00 35.02 H new ATOM 0 HG LEU E 12 27.093 17.748 38.333 1.00 36.68 H new ATOM 0 HD11 LEU E 12 28.236 18.888 36.535 1.00 36.39 H new ATOM 0 HD12 LEU E 12 28.197 17.332 36.242 1.00 36.39 H new ATOM 0 HD13 LEU E 12 27.178 18.301 35.514 1.00 36.39 H new ATOM 0 HD21 LEU E 12 26.480 19.983 37.977 1.00 38.14 H new ATOM 0 HD22 LEU E 12 25.364 19.517 36.954 1.00 38.14 H new ATOM 0 HD23 LEU E 12 25.239 19.141 38.487 1.00 38.14 H new ATOM 754 N GLU E 13 24.253 13.955 37.842 1.00 37.81 N ATOM 755 CA GLU E 13 23.381 12.830 37.468 1.00 40.18 C ATOM 756 C GLU E 13 22.088 12.738 38.276 1.00 40.01 C ATOM 757 O GLU E 13 21.044 12.376 37.744 1.00 40.52 O ATOM 758 CB GLU E 13 24.156 11.514 37.542 1.00 40.93 C ATOM 759 CG GLU E 13 24.548 10.990 36.196 1.00 45.79 C ATOM 760 CD GLU E 13 25.714 10.014 36.270 1.00 55.14 C ATOM 761 OE1 GLU E 13 26.331 9.877 37.363 1.00 58.41 O ATOM 762 OE2 GLU E 13 26.028 9.392 35.225 1.00 58.48 O ATOM 0 H GLU E 13 25.020 13.726 38.157 1.00 37.81 H new ATOM 0 HA GLU E 13 23.103 13.002 36.555 1.00 40.18 H new ATOM 0 HB2 GLU E 13 24.954 11.644 38.078 1.00 40.93 H new ATOM 0 HB3 GLU E 13 23.614 10.850 37.997 1.00 40.93 H new ATOM 0 HG2 GLU E 13 23.786 10.549 35.789 1.00 45.79 H new ATOM 0 HG3 GLU E 13 24.787 11.733 35.620 1.00 45.79 H new ATOM 763 N GLN E 14 22.164 13.085 39.553 1.00 40.85 N ATOM 764 CA GLN E 14 20.999 13.078 40.441 1.00 42.04 C ATOM 765 C GLN E 14 20.113 14.276 40.094 1.00 41.74 C ATOM 766 O GLN E 14 18.872 14.197 40.106 1.00 42.39 O ATOM 767 CB GLN E 14 21.421 13.119 41.928 1.00 41.59 C ATOM 768 CG GLN E 14 22.344 11.932 42.405 1.00 46.42 C ATOM 769 CD GLN E 14 21.790 10.540 42.015 1.00 54.00 C ATOM 770 OE1 GLN E 14 22.322 9.861 41.115 1.00 57.44 O ATOM 771 NE2 GLN E 14 20.693 10.137 42.661 1.00 56.81 N ATOM 0 H GLN E 14 22.894 13.333 39.935 1.00 40.85 H new ATOM 0 HA GLN E 14 20.504 12.254 40.311 1.00 42.04 H new ATOM 0 HB2 GLN E 14 21.884 13.955 42.094 1.00 41.59 H new ATOM 0 HB3 GLN E 14 20.620 13.125 42.475 1.00 41.59 H new ATOM 0 HG2 GLN E 14 23.228 12.042 42.021 1.00 46.42 H new ATOM 0 HG3 GLN E 14 22.446 11.975 43.369 1.00 46.42 H new ATOM 0 HE21 GLN E 14 20.351 10.630 43.277 1.00 56.81 H new ATOM 0 HE22 GLN E 14 20.328 9.384 42.461 1.00 56.81 H new ATOM 772 N LYS E 15 20.744 15.392 39.782 1.00 41.04 N ATOM 773 CA LYS E 15 19.983 16.526 39.313 1.00 40.65 C ATOM 774 C LYS E 15 19.190 16.172 38.049 1.00 40.60 C ATOM 775 O LYS E 15 18.004 16.487 37.935 1.00 41.38 O ATOM 776 CB LYS E 15 20.921 17.693 39.073 1.00 41.55 C ATOM 777 CG LYS E 15 20.363 18.755 38.158 1.00 40.49 C ATOM 778 CD LYS E 15 19.529 19.709 38.897 1.00 43.75 C ATOM 779 CE LYS E 15 20.323 20.965 39.184 1.00 48.05 C ATOM 780 NZ LYS E 15 19.433 22.150 38.938 1.00 50.67 N ATOM 0 H LYS E 15 21.594 15.512 39.833 1.00 41.04 H new ATOM 0 HA LYS E 15 19.336 16.780 39.990 1.00 40.65 H new ATOM 0 HB2 LYS E 15 21.142 18.098 39.926 1.00 41.55 H new ATOM 0 HB3 LYS E 15 21.749 17.357 38.696 1.00 41.55 H new ATOM 0 HG2 LYS E 15 21.091 19.227 37.724 1.00 40.49 H new ATOM 0 HG3 LYS E 15 19.838 18.338 37.457 1.00 40.49 H new ATOM 0 HD2 LYS E 15 18.737 19.927 38.381 1.00 43.75 H new ATOM 0 HD3 LYS E 15 19.225 19.311 39.728 1.00 43.75 H new ATOM 0 HE2 LYS E 15 20.638 20.964 40.101 1.00 48.05 H new ATOM 0 HE3 LYS E 15 21.107 21.007 38.615 1.00 48.05 H new ATOM 0 HZ1 LYS E 15 19.768 22.864 39.351 1.00 50.67 H new ATOM 0 HZ2 LYS E 15 19.385 22.309 38.064 1.00 50.67 H new ATOM 0 HZ3 LYS E 15 18.618 21.980 39.254 1.00 50.67 H new ATOM 781 N ILE E 16 19.846 15.508 37.108 1.00 40.39 N ATOM 782 CA ILE E 16 19.232 15.083 35.865 1.00 39.97 C ATOM 783 C ILE E 16 18.001 14.194 36.093 1.00 40.54 C ATOM 784 O ILE E 16 16.963 14.440 35.509 1.00 41.06 O ATOM 785 CB ILE E 16 20.304 14.424 34.965 1.00 40.31 C ATOM 786 CG1 ILE E 16 21.189 15.507 34.362 1.00 38.85 C ATOM 787 CG2 ILE E 16 19.723 13.494 33.863 1.00 38.89 C ATOM 788 CD1 ILE E 16 22.509 14.963 33.802 1.00 38.70 C ATOM 0 H ILE E 16 20.675 15.289 37.177 1.00 40.39 H new ATOM 0 HA ILE E 16 18.888 15.862 35.401 1.00 39.97 H new ATOM 0 HB ILE E 16 20.831 13.840 35.532 1.00 40.31 H new ATOM 0 HG12 ILE E 16 20.703 15.956 33.652 1.00 38.85 H new ATOM 0 HG13 ILE E 16 21.382 16.174 35.039 1.00 38.85 H new ATOM 0 HG21 ILE E 16 20.449 13.118 33.341 1.00 38.89 H new ATOM 0 HG22 ILE E 16 19.218 12.777 34.278 1.00 38.89 H new ATOM 0 HG23 ILE E 16 19.139 14.006 33.282 1.00 38.89 H new ATOM 0 HD11 ILE E 16 23.030 15.693 33.433 1.00 38.70 H new ATOM 0 HD12 ILE E 16 23.011 14.536 34.514 1.00 38.70 H new ATOM 0 HD13 ILE E 16 22.322 14.315 33.105 1.00 38.70 H new ATOM 789 N ALA E 17 18.093 13.174 36.944 1.00 41.29 N ATOM 790 CA ALA E 17 16.913 12.278 37.163 1.00 41.52 C ATOM 791 C ALA E 17 15.705 13.029 37.712 1.00 40.73 C ATOM 792 O ALA E 17 14.592 12.807 37.265 1.00 41.55 O ATOM 793 CB ALA E 17 17.252 11.024 38.061 1.00 41.11 C ATOM 0 H ALA E 17 18.795 12.974 37.398 1.00 41.29 H new ATOM 0 HA ALA E 17 16.677 11.944 36.283 1.00 41.52 H new ATOM 0 HB1 ALA E 17 16.457 10.480 38.171 1.00 41.11 H new ATOM 0 HB2 ALA E 17 17.947 10.498 37.634 1.00 41.11 H new ATOM 0 HB3 ALA E 17 17.561 11.323 38.931 1.00 41.11 H new ATOM 794 N ALA E 18 15.951 13.921 38.656 1.00 40.25 N ATOM 795 CA ALA E 18 14.956 14.860 39.174 1.00 41.12 C ATOM 796 C ALA E 18 14.273 15.743 38.134 1.00 41.66 C ATOM 797 O ALA E 18 13.062 15.936 38.172 1.00 42.23 O ATOM 798 CB ALA E 18 15.590 15.751 40.244 1.00 41.42 C ATOM 0 H ALA E 18 16.722 14.004 39.028 1.00 40.25 H new ATOM 0 HA ALA E 18 14.255 14.297 39.539 1.00 41.12 H new ATOM 0 HB1 ALA E 18 14.926 16.371 40.584 1.00 41.42 H new ATOM 0 HB2 ALA E 18 15.919 15.200 40.971 1.00 41.42 H new ATOM 0 HB3 ALA E 18 16.328 16.248 39.856 1.00 41.42 H new ATOM 799 N LEU E 19 15.047 16.294 37.207 1.00 42.36 N ATOM 800 CA LEU E 19 14.468 17.166 36.201 1.00 42.02 C ATOM 801 C LEU E 19 13.636 16.346 35.251 1.00 42.59 C ATOM 802 O LEU E 19 12.559 16.760 34.881 1.00 42.08 O ATOM 803 CB LEU E 19 15.556 17.912 35.417 1.00 40.81 C ATOM 804 CG LEU E 19 16.383 18.970 36.131 1.00 39.91 C ATOM 805 CD1 LEU E 19 17.494 19.543 35.240 1.00 34.20 C ATOM 806 CD2 LEU E 19 15.556 20.084 36.691 1.00 37.54 C ATOM 0 H LEU E 19 15.897 16.177 37.145 1.00 42.36 H new ATOM 0 HA LEU E 19 13.914 17.824 36.649 1.00 42.02 H new ATOM 0 HB2 LEU E 19 16.170 17.249 35.064 1.00 40.81 H new ATOM 0 HB3 LEU E 19 15.130 18.337 34.656 1.00 40.81 H new ATOM 0 HG LEU E 19 16.794 18.504 36.876 1.00 39.91 H new ATOM 0 HD11 LEU E 19 17.994 20.211 35.735 1.00 34.20 H new ATOM 0 HD12 LEU E 19 18.092 18.829 34.968 1.00 34.20 H new ATOM 0 HD13 LEU E 19 17.100 19.951 34.453 1.00 34.20 H new ATOM 0 HD21 LEU E 19 16.134 20.726 37.133 1.00 37.54 H new ATOM 0 HD22 LEU E 19 15.075 20.523 35.972 1.00 37.54 H new ATOM 0 HD23 LEU E 19 14.922 19.726 37.332 1.00 37.54 H new ATOM 807 N LYS E 20 14.154 15.190 34.847 1.00 43.91 N ATOM 808 CA LYS E 20 13.416 14.283 33.991 1.00 46.15 C ATOM 809 C LYS E 20 12.097 13.914 34.626 1.00 48.26 C ATOM 810 O LYS E 20 11.075 13.869 33.943 1.00 48.77 O ATOM 811 CB LYS E 20 14.195 13.014 33.738 1.00 45.52 C ATOM 812 CG LYS E 20 15.130 13.099 32.576 1.00 45.40 C ATOM 813 CD LYS E 20 16.071 11.919 32.577 1.00 45.25 C ATOM 814 CE LYS E 20 16.958 11.991 31.384 1.00 49.93 C ATOM 815 NZ LYS E 20 17.731 10.719 31.233 1.00 57.35 N ATOM 0 H LYS E 20 14.940 14.915 35.063 1.00 43.91 H new ATOM 0 HA LYS E 20 13.265 14.741 33.149 1.00 46.15 H new ATOM 0 HB2 LYS E 20 14.702 12.792 34.534 1.00 45.52 H new ATOM 0 HB3 LYS E 20 13.571 12.287 33.587 1.00 45.52 H new ATOM 0 HG2 LYS E 20 14.626 13.119 31.747 1.00 45.40 H new ATOM 0 HG3 LYS E 20 15.636 13.925 32.620 1.00 45.40 H new ATOM 0 HD2 LYS E 20 16.603 11.918 33.388 1.00 45.25 H new ATOM 0 HD3 LYS E 20 15.567 11.091 32.568 1.00 45.25 H new ATOM 0 HE2 LYS E 20 16.427 12.150 30.588 1.00 49.93 H new ATOM 0 HE3 LYS E 20 17.569 12.739 31.472 1.00 49.93 H new ATOM 0 HZ1 LYS E 20 18.257 10.774 30.517 1.00 57.35 H new ATOM 0 HZ2 LYS E 20 18.230 10.587 31.958 1.00 57.35 H new ATOM 0 HZ3 LYS E 20 17.166 10.038 31.134 1.00 57.35 H new ATOM 816 N GLN E 21 12.132 13.661 35.934 1.00 50.24 N ATOM 817 CA GLN E 21 10.950 13.289 36.691 1.00 52.45 C ATOM 818 C GLN E 21 9.988 14.491 36.844 1.00 53.01 C ATOM 819 O GLN E 21 8.762 14.329 36.781 1.00 51.89 O ATOM 820 CB GLN E 21 11.411 12.690 38.018 1.00 52.72 C ATOM 821 CG GLN E 21 10.413 12.504 39.130 1.00 56.55 C ATOM 822 CD GLN E 21 11.089 11.918 40.390 1.00 63.45 C ATOM 823 OE1 GLN E 21 12.215 11.372 40.319 1.00 65.26 O ATOM 824 NE2 GLN E 21 10.415 12.037 41.544 1.00 62.85 N ATOM 0 H GLN E 21 12.850 13.702 36.406 1.00 50.24 H new ATOM 0 HA GLN E 21 10.431 12.616 36.222 1.00 52.45 H new ATOM 0 HB2 GLN E 21 11.799 11.822 37.827 1.00 52.72 H new ATOM 0 HB3 GLN E 21 12.125 13.251 38.358 1.00 52.72 H new ATOM 0 HG2 GLN E 21 10.002 13.356 39.346 1.00 56.55 H new ATOM 0 HG3 GLN E 21 9.702 11.913 38.836 1.00 56.55 H new ATOM 0 HE21 GLN E 21 9.644 12.418 41.554 1.00 62.85 H new ATOM 0 HE22 GLN E 21 10.754 11.732 42.273 1.00 62.85 H new ATOM 825 N LYS E 22 10.554 15.687 37.034 1.00 53.88 N ATOM 826 CA LYS E 22 9.774 16.926 37.022 1.00 54.98 C ATOM 827 C LYS E 22 9.074 17.122 35.673 1.00 55.81 C ATOM 828 O LYS E 22 7.868 17.379 35.652 1.00 56.40 O ATOM 829 CB LYS E 22 10.640 18.126 37.374 1.00 54.85 C ATOM 830 CG LYS E 22 9.887 19.447 37.378 1.00 57.83 C ATOM 831 CD LYS E 22 10.507 20.460 38.342 1.00 59.54 C ATOM 832 CE LYS E 22 10.034 21.873 38.026 1.00 60.96 C ATOM 833 NZ LYS E 22 10.906 22.910 38.717 1.00 60.83 N ATOM 0 H LYS E 22 11.395 15.801 37.172 1.00 53.88 H new ATOM 0 HA LYS E 22 9.088 16.851 37.703 1.00 54.98 H new ATOM 0 HB2 LYS E 22 11.033 17.985 38.250 1.00 54.85 H new ATOM 0 HB3 LYS E 22 11.372 18.183 36.740 1.00 54.85 H new ATOM 0 HG2 LYS E 22 9.881 19.817 36.481 1.00 57.83 H new ATOM 0 HG3 LYS E 22 8.962 19.290 37.626 1.00 57.83 H new ATOM 0 HD2 LYS E 22 10.268 20.232 39.254 1.00 59.54 H new ATOM 0 HD3 LYS E 22 11.474 20.418 38.283 1.00 59.54 H new ATOM 0 HE2 LYS E 22 10.054 22.017 37.067 1.00 60.96 H new ATOM 0 HE3 LYS E 22 9.113 21.980 38.310 1.00 60.96 H new ATOM 0 HZ1 LYS E 22 10.611 23.726 38.518 1.00 60.83 H new ATOM 0 HZ2 LYS E 22 10.870 22.789 39.598 1.00 60.83 H new ATOM 0 HZ3 LYS E 22 11.747 22.823 38.440 1.00 60.83 H new ATOM 834 N ILE E 23 9.828 17.010 34.565 1.00 55.89 N ATOM 835 CA ILE E 23 9.265 16.848 33.235 1.00 56.55 C ATOM 836 C ILE E 23 8.435 15.580 33.360 1.00 58.31 C ATOM 837 O ILE E 23 8.585 14.859 34.344 1.00 59.42 O ATOM 838 CB ILE E 23 10.381 16.658 32.164 1.00 56.49 C ATOM 839 CG1 ILE E 23 11.238 17.911 32.061 1.00 54.58 C ATOM 840 CG2 ILE E 23 9.822 16.261 30.751 1.00 53.77 C ATOM 841 CD1 ILE E 23 12.526 17.656 31.348 1.00 53.19 C ATOM 0 H ILE E 23 10.688 17.027 34.577 1.00 55.89 H new ATOM 0 HA ILE E 23 8.754 17.622 32.951 1.00 56.55 H new ATOM 0 HB ILE E 23 10.927 15.915 32.465 1.00 56.49 H new ATOM 0 HG12 ILE E 23 10.743 18.602 31.594 1.00 54.58 H new ATOM 0 HG13 ILE E 23 11.424 18.248 32.951 1.00 54.58 H new ATOM 0 HG21 ILE E 23 10.559 16.157 30.129 1.00 53.77 H new ATOM 0 HG22 ILE E 23 9.336 15.424 30.819 1.00 53.77 H new ATOM 0 HG23 ILE E 23 9.226 16.956 30.432 1.00 53.77 H new ATOM 0 HD11 ILE E 23 13.040 18.477 31.304 1.00 53.19 H new ATOM 0 HD12 ILE E 23 13.034 16.982 31.827 1.00 53.19 H new ATOM 0 HD13 ILE E 23 12.342 17.342 30.449 1.00 53.19 H new ATOM 842 N ALA E 24 7.547 15.282 32.416 1.00 59.45 N ATOM 843 CA ALA E 24 6.655 14.141 32.667 1.00 60.60 C ATOM 844 C ALA E 24 5.746 14.528 33.854 1.00 60.86 C ATOM 845 O ALA E 24 5.482 13.736 34.746 1.00 60.47 O ATOM 846 CB ALA E 24 7.483 12.858 32.981 1.00 59.71 C ATOM 0 H ALA E 24 7.443 15.694 31.668 1.00 59.45 H new ATOM 0 HA ALA E 24 6.117 13.941 31.885 1.00 60.60 H new ATOM 0 HB1 ALA E 24 6.880 12.116 33.144 1.00 59.71 H new ATOM 0 HB2 ALA E 24 8.056 12.649 32.226 1.00 59.71 H new ATOM 0 HB3 ALA E 24 8.029 13.010 33.768 1.00 59.71 H new ATOM 847 N SER E 25 5.369 15.809 33.873 1.00 61.70 N ATOM 848 CA SER E 25 4.290 16.358 34.687 1.00 61.61 C ATOM 849 C SER E 25 3.930 17.684 34.018 1.00 62.37 C ATOM 850 O SER E 25 4.225 18.746 34.578 1.00 62.22 O ATOM 851 CB SER E 25 4.736 16.604 36.128 1.00 61.45 C ATOM 852 OG SER E 25 5.357 15.458 36.675 1.00 60.07 O ATOM 0 H SER E 25 5.755 16.406 33.389 1.00 61.70 H new ATOM 0 HA SER E 25 3.541 15.744 34.737 1.00 61.61 H new ATOM 0 HB2 SER E 25 5.352 17.353 36.155 1.00 61.45 H new ATOM 0 HB3 SER E 25 3.969 16.848 36.669 1.00 61.45 H new ATOM 0 HG SER E 25 5.159 14.785 36.213 1.00 60.07 H new ATOM 853 N LEU E 26 3.390 17.665 32.792 1.00 62.61 N ATOM 854 CA LEU E 26 3.418 16.537 31.863 1.00 63.77 C ATOM 855 C LEU E 26 3.527 17.209 30.524 1.00 64.18 C ATOM 856 O LEU E 26 2.962 18.302 30.351 1.00 65.21 O ATOM 857 CB LEU E 26 2.139 15.665 31.932 1.00 64.15 C ATOM 858 CG LEU E 26 2.237 14.167 31.555 1.00 64.61 C ATOM 859 CD1 LEU E 26 1.368 13.323 32.464 1.00 64.31 C ATOM 860 CD2 LEU E 26 1.921 13.869 30.069 1.00 66.64 C ATOM 0 H LEU E 26 2.978 18.347 32.468 1.00 62.61 H new ATOM 0 HA LEU E 26 4.141 15.922 32.061 1.00 63.77 H new ATOM 0 HB2 LEU E 26 1.796 15.718 32.838 1.00 64.15 H new ATOM 0 HB3 LEU E 26 1.475 16.071 31.353 1.00 64.15 H new ATOM 0 HG LEU E 26 3.168 13.926 31.683 1.00 64.61 H new ATOM 0 HD11 LEU E 26 1.445 12.390 32.210 1.00 64.31 H new ATOM 0 HD12 LEU E 26 1.658 13.433 33.383 1.00 64.31 H new ATOM 0 HD13 LEU E 26 0.444 13.605 32.382 1.00 64.31 H new ATOM 0 HD21 LEU E 26 2.002 12.916 29.906 1.00 66.64 H new ATOM 0 HD22 LEU E 26 1.017 14.156 29.866 1.00 66.64 H new ATOM 0 HD23 LEU E 26 2.546 14.348 29.503 1.00 66.64 H new TER 861 LEU E 26 HETATM 862 NA NA E 29 35.279 6.706 37.374 1.00 27.40 NA HETATM 863 O HOH A 29 10.287 36.379 43.436 1.00 45.82 O HETATM 864 O HOH A 30 10.341 41.800 34.372 1.00 54.21 O HETATM 865 O HOH A 31 29.254 37.010 24.806 1.00 48.89 O HETATM 866 O HOH A 32 40.253 31.688 24.825 1.00 63.59 O HETATM 867 O HOH A 33 8.523 31.380 39.250 1.00 57.99 O HETATM 868 O HOH A 34 3.840 39.495 43.553 1.00 49.58 O HETATM 869 O HOH A 35 0.088 38.539 42.723 1.00 70.98 O HETATM 870 O HOH B 30 27.804 25.849 32.127 1.00 39.66 O HETATM 871 O HOH B 31 21.897 24.911 34.281 1.00 52.81 O HETATM 872 O HOH B 32 17.415 28.246 33.261 1.00 34.63 O HETATM 873 O HOH B 33 21.188 33.122 23.616 1.00 85.03 O HETATM 874 O HOH B 34 28.494 32.856 20.667 1.00 63.44 O HETATM 875 O HOH B 35 22.161 25.904 36.621 1.00 62.92 O HETATM 876 O HOH B 36 31.895 22.108 30.882 1.00 55.13 O HETATM 877 O HOH B 37 26.590 33.352 22.593 1.00 51.21 O HETATM 878 O HOH B 38 9.197 28.768 25.688 1.00 57.73 O HETATM 879 O HOH B 39 24.321 30.763 24.289 1.00 40.12 O HETATM 880 O HOH D 29 23.890 23.305 33.180 1.00 31.57 O HETATM 881 O HOH D 31 30.923 20.049 38.525 1.00 45.30 O HETATM 882 O HOH D 32 33.742 21.684 35.980 1.00 59.34 O HETATM 883 O HOH D 33 7.736 19.218 26.280 1.00 49.57 O HETATM 884 O HOH D 34 31.831 12.170 27.536 1.00 64.01 O HETATM 885 O HOH D 35 31.864 10.467 36.464 1.00 71.67 O HETATM 886 O HOH D 36 13.704 25.636 33.952 1.00 40.31 O HETATM 887 O HOH D 37 32.584 7.804 30.692 1.00 84.27 O HETATM 888 O HOH D 38 21.216 12.687 26.148 1.00 59.22 O HETATM 889 O HOH E 30 33.667 17.262 45.064 1.00 61.90 O HETATM 890 O HOH E 31 17.625 12.187 42.140 1.00 55.86 O HETATM 891 O HOH E 32 20.573 10.736 35.625 1.00 43.05 O HETATM 892 O HOH E 33 30.297 9.954 38.883 1.00 51.14 O HETATM 893 O HOH E 34 40.442 15.566 42.938 1.00 51.17 O HETATM 894 O HOH E 35 11.794 15.790 40.803 1.00 53.37 O HETATM 895 O HOH E 36 18.425 10.182 34.192 1.00 48.12 O HETATM 896 O HOH E 37 27.898 14.214 44.717 1.00 58.65 O CONECT 41 48 CONECT 48 41 49 CONECT 49 48 50 58 CONECT 50 49 51 CONECT 51 50 52 53 CONECT 52 51 54 CONECT 53 51 55 CONECT 54 52 56 CONECT 55 53 56 CONECT 56 54 55 57 CONECT 57 56 CONECT 58 49 59 60 CONECT 59 58 CONECT 60 58 CONECT 697 704 CONECT 702 862 CONECT 703 862 CONECT 704 697 705 CONECT 705 704 706 714 CONECT 706 705 707 CONECT 707 706 708 709 CONECT 708 707 710 CONECT 709 707 711 CONECT 710 708 712 CONECT 711 709 712 CONECT 712 710 711 713 CONECT 713 712 CONECT 714 705 715 716 CONECT 715 714 CONECT 716 714 CONECT 862 702 703 END