USER MOD reduce.3.24.130724 H: found=0, std=0, add=1198, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 01-DEC-02 1NB0 TITLE CRYSTAL STRUCTURE OF HUMAN RIBOFLAVIN KINASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN FLJ11149; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: RIBOFLAVIN KINASE; COMPND 5 EC: 2.7.1.26; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 ORGAN: BRAIN; SOURCE 6 GENE: FLJ11149; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 0 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PPROEX-HTA KEYWDS BETA BARREL, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR S.KARTHIKEYAN,Q.ZHOU,F.MSEEH,N.V.GRISHIN,A.L.OSTERMAN,H.ZHANG REVDAT 3 13-JUL-11 1NB0 1 VERSN REVDAT 2 24-FEB-09 1NB0 1 VERSN REVDAT 1 11-MAR-03 1NB0 0 JRNL AUTH S.KARTHIKEYAN,Q.ZHOU,F.MSEEH,N.V.GRISHIN,A.L.OSTERMAN, JRNL AUTH 2 H.ZHANG JRNL TITL CRYSTAL STRUCTURE OF HUMAN RIBOFLAVIN KINASE REVEALS A BETA JRNL TITL 2 BARREL FOLD AND A NOVEL ACTIVE SITE ARCH JRNL REF STRUCTURE V. 11 265 2003 JRNL REFN ISSN 0969-2126 JRNL PMID 12623014 JRNL DOI 10.1016/S0969-2126(03)00024-8 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.27 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) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 49.39 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 94.4 REMARK 3 NUMBER OF REFLECTIONS : 15843 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) : 0.186 REMARK 3 R VALUE (WORKING SET) : 0.184 REMARK 3 FREE R VALUE : 0.221 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.200 REMARK 3 FREE R VALUE TEST SET COUNT : 861 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.74 REMARK 3 REFLECTION IN BIN (WORKING SET) : 895 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2140 REMARK 3 BIN FREE R VALUE SET COUNT : 74 REMARK 3 BIN FREE R VALUE : 0.2430 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1177 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 28 REMARK 3 SOLVENT ATOMS : 130 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 20.32 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.50 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.21000 REMARK 3 B22 (A**2) : -0.21000 REMARK 3 B33 (A**2) : 0.32000 REMARK 3 B12 (A**2) : -0.11000 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): 0.116 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.113 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.075 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.264 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.954 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.940 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1251 ; 0.015 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1693 ; 1.611 ; 1.978 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 146 ; 6.017 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 176 ; 0.120 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 945 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 523 ; 0.227 ; 0.200 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): 114 ; 0.158 ; 0.200 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): 42 ; 0.180 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 17 ; 0.158 ; 0.200 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): 729 ; 1.042 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1178 ; 1.907 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 522 ; 2.511 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 515 ; 3.779 ; 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 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 9 A 155 REMARK 3 ORIGIN FOR THE GROUP (A): 23.9860 6.4160 7.8820 REMARK 3 T TENSOR REMARK 3 T11: 0.1375 T22: 0.1355 REMARK 3 T33: 0.0809 T12: 0.0356 REMARK 3 T13: -0.0212 T23: -0.0139 REMARK 3 L TENSOR REMARK 3 L11: 0.7481 L22: 2.3148 REMARK 3 L33: 1.7423 L12: -0.3628 REMARK 3 L13: 0.1217 L23: -0.6373 REMARK 3 S TENSOR REMARK 3 S11: 0.0557 S12: 0.0404 S13: 0.0264 REMARK 3 S21: -0.0512 S22: -0.0192 S23: 0.0046 REMARK 3 S31: 0.0593 S32: 0.0646 S33: -0.0365 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH 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: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 1NB0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-DEC-02. REMARK 100 THE RCSB ID CODE IS RCSB017728. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-AUG-02 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-BM REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0080 REMARK 200 MONOCHROMATOR : ROSENBAUM-ROCK DOUBLE CRYSTAL REMARK 200 MONOCHROMATOR REMARK 200 OPTICS : MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : CUSTOM-MADE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17010 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.9 REMARK 200 DATA REDUNDANCY : 12.470 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.03600 REMARK 200 FOR THE DATA SET : 49.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 83.2 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.20000 REMARK 200 FOR SHELL : 4.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 39.69 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.06 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NA CADODALYTE, MG ACETATE, PEG 8000, REMARK 280 PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-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 27.50167 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 55.00333 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 55.00333 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 27.50167 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG A 9 CB CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 148 CB - CG - OD2 ANGL. DEV. = 5.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 80 175.34 67.08 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 MG A 201 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 THR A 34 O REMARK 620 2 HOH A 402 O 91.0 REMARK 620 3 ADP A 301 O1B 96.2 92.3 REMARK 620 4 THR A 34 OG1 86.9 87.8 176.9 REMARK 620 5 HOH A 408 O 171.8 90.1 91.9 85.1 REMARK 620 6 ADP A 301 O2A 89.9 175.2 92.2 87.6 88.3 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ADP A 301 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NB9 RELATED DB: PDB REMARK 900 RELATED ID: 1NBG RELATED DB: PDB DBREF 1NB0 A 9 155 UNP Q969G6 RIFK_HUMAN 9 155 SEQADV 1NB0 TYR A 142 UNP Q969G6 HIS 142 CONFLICT SEQRES 1 A 147 ARG HIS LEU PRO TYR PHE CYS ARG GLY GLN VAL VAL ARG SEQRES 2 A 147 GLY PHE GLY ARG GLY SER LYS GLN LEU GLY ILE PRO THR SEQRES 3 A 147 ALA ASN PHE PRO GLU GLN VAL VAL ASP ASN LEU PRO ALA SEQRES 4 A 147 ASP ILE SER THR GLY ILE TYR TYR GLY TRP ALA SER VAL SEQRES 5 A 147 GLY SER GLY ASP VAL HIS LYS MET VAL VAL SER ILE GLY SEQRES 6 A 147 TRP ASN PRO TYR TYR LYS ASN THR LYS LYS SER MET GLU SEQRES 7 A 147 THR HIS ILE MET HIS THR PHE LYS GLU ASP PHE TYR GLY SEQRES 8 A 147 GLU ILE LEU ASN VAL ALA ILE VAL GLY TYR LEU ARG PRO SEQRES 9 A 147 GLU LYS ASN PHE ASP SER LEU GLU SER LEU ILE SER ALA SEQRES 10 A 147 ILE GLN GLY ASP ILE GLU GLU ALA LYS LYS ARG LEU GLU SEQRES 11 A 147 LEU PRO GLU TYR LEU LYS ILE LYS GLU ASP ASN PHE PHE SEQRES 12 A 147 GLN VAL SER LYS HET MG A 201 1 HET ADP A 301 27 HETNAM MG MAGNESIUM ION HETNAM ADP ADENOSINE-5'-DIPHOSPHATE FORMUL 2 MG MG 2+ FORMUL 3 ADP C10 H15 N5 O10 P2 FORMUL 4 HOH *130(H2 O) HELIX 1 1 GLY A 26 GLY A 31 5 6 HELIX 2 2 PRO A 38 ASN A 44 1 7 HELIX 3 3 SER A 118 LEU A 137 1 20 HELIX 4 4 LEU A 139 LYS A 144 1 6 HELIX 5 5 ILE A 145 GLU A 147 5 3 HELIX 6 6 ASP A 148 SER A 154 1 7 SHEET 1 A 6 TYR A 13 GLN A 18 0 SHEET 2 A 6 ILE A 101 ARG A 111 -1 O LEU A 102 N GLY A 17 SHEET 3 A 6 GLY A 52 VAL A 60 -1 N SER A 59 O ASN A 103 SHEET 4 A 6 HIS A 66 TRP A 74 -1 O VAL A 70 N TYR A 54 SHEET 5 A 6 LYS A 83 ILE A 89 -1 O HIS A 88 N VAL A 69 SHEET 6 A 6 ALA A 35 ASN A 36 -1 N ALA A 35 O THR A 87 LINK MG MG A 201 O THR A 34 1555 1555 2.15 LINK MG MG A 201 O HOH A 402 1555 1555 2.07 LINK MG MG A 201 O1B ADP A 301 1555 1555 2.04 LINK MG MG A 201 OG1 THR A 34 1555 1555 2.14 LINK MG MG A 201 O HOH A 408 1555 1555 2.14 LINK MG MG A 201 O2A ADP A 301 1555 1555 2.05 CISPEP 1 LEU A 11 PRO A 12 0 -2.34 SITE *** AC1 4 THR A 34 ADP A 301 HOH A 402 HOH A 408 SITE *** AC2 23 VAL A 19 GLY A 22 GLY A 26 SER A 27 SITE *** AC2 23 LYS A 28 PRO A 33 THR A 34 ASN A 36 SITE *** AC2 23 THR A 87 ILE A 89 HIS A 91 PHE A 93 SITE *** AC2 23 ASP A 96 PHE A 97 TYR A 98 MG A 201 SITE *** AC2 23 HOH A 401 HOH A 402 HOH A 406 HOH A 408 SITE *** AC2 23 HOH A 422 HOH A 426 HOH A 452 CRYST1 57.096 57.096 82.505 90.00 90.00 120.00 P 31 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.017514 0.010112 0.000000 0.00000 SCALE2 0.000000 0.020224 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012120 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 149 ASN : amide:sc= -1.5! C(o=-3.6!,f=-1.1!) USER MOD Set 1.2: A 152 GLN : amide:sc= -2.15! K(o=-3.6!,f=-1.1) USER MOD Set 2.1: A 118 SER OG : rot 180:sc= 0.434 USER MOD Set 2.2: A 121 SER OG : rot -72:sc= 0.196 USER MOD Set 3.1: A 59 SER OG : rot -97:sc= 0.526 USER MOD Set 3.2: A 103 ASN : amide:sc= 0.645 K(o=1.2,f=-2.5!) USER MOD Set 4.1: A 80 ASN : amide:sc= -0.23 K(o=-1.5,f=-0.31) USER MOD Set 4.2: A 82 LYS NZ :NH3+ -154:sc= -1.32 (180deg=-1.77!) USER MOD Single : A 10 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-7!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 93:sc= -0.928 USER MOD Single : A 18 GLN : amide:sc= -0.111 K(o=-0.11,f=0.62) USER MOD Single : A 27 SER OG : rot -122:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -1.25! (180deg=-1.57!) USER MOD Single : A 29 GLN : amide:sc= 0.488 X(o=0.49,f=0.58) USER MOD Single : A 36 ASN : amide:sc= 2.88 K(o=2.9,f=1) USER MOD Single : A 40 GLN : amide:sc= -0.401 K(o=-0.4,f=0.57) USER MOD Single : A 44 ASN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 51 THR OG1 : rot 70:sc= 0.202 USER MOD Single : A 54 TYR OH : rot 5:sc= 1.24 USER MOD Single : A 55 TYR OH : rot -31:sc= 1.67 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 3.23 (180deg=3.23) USER MOD Single : A 68 MET CE :methyl 147:sc= -0.296 (180deg=-0.699) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.59 K(o=0.59,f=-7.1!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 89:sc= 0.915 USER MOD Single : A 85 MET CE A:methyl -177:sc= -3.69! (180deg=-3.77!) USER MOD Single : A 85 MET CE B:methyl 177:sc= -0.698 (180deg=-0.778) USER MOD Single : A 87 THR OG1 : rot 87:sc= 0.39 USER MOD Single : A 88 HIS : no HE2:sc= 1.65 K(o=1.8,f=-5.7!) USER MOD Single : A 90 MET CE :methyl -165:sc= 0 (180deg=-0.235) USER MOD Single : A 91 HIS : no HD1:sc= 0.103 X(o=0.1,f=-0.11) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= -0.222 (180deg=-1.18!) USER MOD Single : A 98 TYR OH : rot 1:sc= 2.63 USER MOD Single : A 109 TYR OH : rot 7:sc= 0.499 USER MOD Single : A 114 LYS NZ :NH3+ -160:sc= 0.96 (180deg=0.756) USER MOD Single : A 115 ASN : amide:sc= 0.331 X(o=0.33,f=-0.16) USER MOD Single : A 124 SER OG : rot 32:sc= 1.02 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 134 LYS NZ :NH3+ 175:sc= 0.16 (180deg=0.153) USER MOD Single : A 135 LYS NZ :NH3+ 167:sc= 0.672 (180deg=0.578) USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 155:sc= 0.62 (180deg=0.356) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0.0862 USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 301 ADP O2' : rot -23:sc= 0.823 USER MOD Single : A 301 ADP O3' : rot 17:sc= 1.84 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 9 31.562 -0.926 -4.999 1.00 27.05 N ATOM 2 CA ARG A 9 32.360 -2.199 -4.980 1.00 26.61 C ATOM 3 C ARG A 9 32.002 -3.129 -3.820 1.00 26.22 C ATOM 4 O ARG A 9 31.799 -4.342 -4.018 1.00 27.11 O ATOM 5 N HIS A 10 31.953 -2.585 -2.608 1.00 24.16 N ATOM 6 CA HIS A 10 31.537 -3.395 -1.474 1.00 22.37 C ATOM 7 C HIS A 10 30.130 -3.021 -1.009 1.00 20.29 C ATOM 8 O HIS A 10 29.797 -3.199 0.156 1.00 18.62 O ATOM 9 CB HIS A 10 32.550 -3.360 -0.313 1.00 23.44 C ATOM 10 CG HIS A 10 33.619 -4.412 -0.420 1.00 25.47 C ATOM 11 ND1 HIS A 10 34.808 -4.201 -1.087 1.00 27.63 N ATOM 12 CD2 HIS A 10 33.664 -5.691 0.031 1.00 27.27 C ATOM 13 CE1 HIS A 10 35.545 -5.297 -1.032 1.00 28.66 C ATOM 14 NE2 HIS A 10 34.872 -6.218 -0.362 1.00 30.02 N ATOM 0 H HIS A 10 32.152 -1.769 -2.425 1.00 24.16 H new ATOM 0 HA HIS A 10 31.512 -4.314 -1.784 1.00 22.37 H new ATOM 0 HB2 HIS A 10 32.968 -2.485 -0.284 1.00 23.44 H new ATOM 0 HB3 HIS A 10 32.075 -3.475 0.525 1.00 23.44 H new ATOM 0 HD2 HIS A 10 33.002 -6.129 0.515 1.00 27.27 H new ATOM 0 HE1 HIS A 10 36.392 -5.403 -1.401 1.00 28.66 H new ATOM 0 HE2 HIS A 10 35.146 -7.017 -0.199 1.00 30.02 H new ATOM 15 N LEU A 11 29.312 -2.528 -1.951 1.00 16.75 N ATOM 16 CA LEU A 11 27.883 -2.330 -1.708 1.00 14.36 C ATOM 17 C LEU A 11 27.038 -3.449 -2.331 1.00 13.50 C ATOM 18 O LEU A 11 27.433 -3.987 -3.393 1.00 13.64 O ATOM 19 CB LEU A 11 27.448 -0.941 -2.212 1.00 13.37 C ATOM 20 CG LEU A 11 28.195 0.288 -1.641 1.00 12.48 C ATOM 21 CD1 LEU A 11 27.540 1.568 -2.114 1.00 13.84 C ATOM 22 CD2 LEU A 11 28.263 0.299 -0.109 1.00 12.23 C ATOM 0 H LEU A 11 29.571 -2.303 -2.739 1.00 16.75 H new ATOM 0 HA LEU A 11 27.730 -2.370 -0.751 1.00 14.36 H new ATOM 0 HB2 LEU A 11 27.544 -0.929 -3.177 1.00 13.37 H new ATOM 0 HB3 LEU A 11 26.503 -0.834 -2.019 1.00 13.37 H new ATOM 0 HG LEU A 11 29.105 0.227 -1.973 1.00 12.48 H new ATOM 0 HD11 LEU A 11 28.017 2.330 -1.749 1.00 13.84 H new ATOM 0 HD12 LEU A 11 27.564 1.605 -3.083 1.00 13.84 H new ATOM 0 HD13 LEU A 11 26.618 1.590 -1.813 1.00 13.84 H new ATOM 0 HD21 LEU A 11 28.741 1.089 0.188 1.00 12.23 H new ATOM 0 HD22 LEU A 11 27.364 0.309 0.255 1.00 12.23 H new ATOM 0 HD23 LEU A 11 28.728 -0.494 0.200 1.00 12.23 H new ATOM 23 N PRO A 12 25.917 -3.847 -1.704 1.00 11.91 N ATOM 24 CA PRO A 12 25.445 -3.320 -0.414 1.00 10.35 C ATOM 25 C PRO A 12 26.275 -3.803 0.762 1.00 9.41 C ATOM 26 O PRO A 12 26.764 -4.972 0.776 1.00 9.20 O ATOM 27 CB PRO A 12 24.018 -3.875 -0.324 1.00 10.82 C ATOM 28 CG PRO A 12 24.094 -5.141 -1.072 1.00 11.13 C ATOM 29 CD PRO A 12 24.964 -4.827 -2.262 1.00 12.17 C ATOM 0 HA PRO A 12 25.504 -2.353 -0.373 1.00 10.35 H new ATOM 0 HB2 PRO A 12 23.748 -4.020 0.596 1.00 10.82 H new ATOM 0 HB3 PRO A 12 23.373 -3.266 -0.716 1.00 10.82 H new ATOM 0 HG2 PRO A 12 24.478 -5.848 -0.531 1.00 11.13 H new ATOM 0 HG3 PRO A 12 23.214 -5.441 -1.348 1.00 11.13 H new ATOM 0 HD2 PRO A 12 25.414 -5.617 -2.600 1.00 12.17 H new ATOM 0 HD3 PRO A 12 24.452 -4.456 -2.997 1.00 12.17 H new ATOM 30 N TYR A 13 26.454 -2.913 1.731 1.00 8.19 N ATOM 31 CA TYR A 13 27.220 -3.230 2.927 1.00 8.60 C ATOM 32 C TYR A 13 26.278 -3.293 4.122 1.00 8.43 C ATOM 33 O TYR A 13 25.576 -2.338 4.417 1.00 9.31 O ATOM 34 CB TYR A 13 28.259 -2.138 3.160 1.00 9.82 C ATOM 35 CG TYR A 13 29.191 -2.508 4.267 1.00 10.11 C ATOM 36 CD1 TYR A 13 30.204 -3.403 4.035 1.00 11.56 C ATOM 37 CD2 TYR A 13 29.044 -1.967 5.543 1.00 13.19 C ATOM 38 CE1 TYR A 13 31.073 -3.791 5.073 1.00 15.01 C ATOM 39 CE2 TYR A 13 29.904 -2.336 6.581 1.00 14.45 C ATOM 40 CZ TYR A 13 30.905 -3.246 6.329 1.00 15.22 C ATOM 41 OH TYR A 13 31.786 -3.633 7.324 1.00 18.61 O ATOM 0 H TYR A 13 26.137 -2.114 1.714 1.00 8.19 H new ATOM 0 HA TYR A 13 27.664 -4.085 2.816 1.00 8.60 H new ATOM 0 HB2 TYR A 13 28.764 -1.989 2.345 1.00 9.82 H new ATOM 0 HB3 TYR A 13 27.813 -1.304 3.374 1.00 9.82 H new ATOM 0 HD1 TYR A 13 30.318 -3.758 3.183 1.00 11.56 H new ATOM 0 HD2 TYR A 13 28.365 -1.353 5.706 1.00 13.19 H new ATOM 0 HE1 TYR A 13 31.751 -4.407 4.914 1.00 15.01 H new ATOM 0 HE2 TYR A 13 29.801 -1.972 7.430 1.00 14.45 H new ATOM 0 HH TYR A 13 31.590 -3.240 8.040 1.00 18.61 H new ATOM 42 N PHE A 14 26.324 -4.397 4.847 1.00 8.12 N ATOM 43 CA PHE A 14 25.417 -4.632 5.949 1.00 8.22 C ATOM 44 C PHE A 14 26.182 -4.629 7.241 1.00 8.10 C ATOM 45 O PHE A 14 27.190 -5.330 7.375 1.00 9.57 O ATOM 46 CB PHE A 14 24.759 -6.018 5.788 1.00 8.03 C ATOM 47 CG PHE A 14 23.860 -6.119 4.605 1.00 7.34 C ATOM 48 CD1 PHE A 14 22.521 -5.793 4.711 1.00 9.13 C ATOM 49 CD2 PHE A 14 24.346 -6.583 3.386 1.00 8.40 C ATOM 50 CE1 PHE A 14 21.663 -5.878 3.631 1.00 8.37 C ATOM 51 CE2 PHE A 14 23.519 -6.650 2.264 1.00 9.13 C ATOM 52 CZ PHE A 14 22.154 -6.324 2.376 1.00 11.56 C ATOM 0 H PHE A 14 26.886 -5.034 4.712 1.00 8.12 H new ATOM 0 HA PHE A 14 24.743 -3.935 5.954 1.00 8.22 H new ATOM 0 HB2 PHE A 14 25.454 -6.691 5.715 1.00 8.03 H new ATOM 0 HB3 PHE A 14 24.251 -6.221 6.589 1.00 8.03 H new ATOM 0 HD1 PHE A 14 22.188 -5.509 5.532 1.00 9.13 H new ATOM 0 HD2 PHE A 14 25.234 -6.852 3.318 1.00 8.40 H new ATOM 0 HE1 PHE A 14 20.768 -5.644 3.726 1.00 8.37 H new ATOM 0 HE2 PHE A 14 23.869 -6.910 1.443 1.00 9.13 H new ATOM 0 HZ PHE A 14 21.586 -6.399 1.643 1.00 11.56 H new ATOM 53 N CYS A 15 25.714 -3.851 8.198 1.00 7.79 N ATOM 54 CA CYS A 15 26.351 -3.843 9.526 1.00 7.91 C ATOM 55 C CYS A 15 25.399 -3.460 10.637 1.00 7.97 C ATOM 56 O CYS A 15 24.315 -2.939 10.370 1.00 8.04 O ATOM 57 CB CYS A 15 27.613 -2.981 9.550 1.00 9.11 C ATOM 58 SG CYS A 15 27.253 -1.271 9.233 1.00 13.42 S ATOM 0 H CYS A 15 25.040 -3.324 8.114 1.00 7.79 H new ATOM 0 HA CYS A 15 26.618 -4.760 9.697 1.00 7.91 H new ATOM 0 HB2 CYS A 15 28.045 -3.065 10.414 1.00 9.11 H new ATOM 0 HB3 CYS A 15 28.240 -3.308 8.886 1.00 9.11 H new ATOM 0 HG CYS A 15 27.087 -0.697 10.274 1.00 13.42 H new ATOM 59 N ARG A 16 25.758 -3.775 11.882 1.00 7.32 N ATOM 60 CA ARG A 16 24.892 -3.501 13.013 1.00 8.37 C ATOM 61 C ARG A 16 25.753 -3.043 14.152 1.00 8.95 C ATOM 62 O ARG A 16 26.890 -3.517 14.314 1.00 11.22 O ATOM 63 CB ARG A 16 24.169 -4.762 13.507 1.00 7.74 C ATOM 64 CG ARG A 16 23.600 -5.695 12.448 1.00 8.25 C ATOM 65 CD ARG A 16 22.922 -6.881 13.095 1.00 7.10 C ATOM 66 NE ARG A 16 22.574 -7.898 12.129 1.00 6.29 N ATOM 67 CZ ARG A 16 21.366 -8.022 11.603 1.00 6.90 C ATOM 68 NH1 ARG A 16 20.400 -7.137 11.942 1.00 10.03 N ATOM 69 NH2 ARG A 16 21.120 -9.019 10.762 1.00 10.18 N ATOM 0 H ARG A 16 26.504 -4.150 12.087 1.00 7.32 H new ATOM 0 HA ARG A 16 24.238 -2.843 12.731 1.00 8.37 H new ATOM 0 HB2 ARG A 16 24.789 -5.270 14.054 1.00 7.74 H new ATOM 0 HB3 ARG A 16 23.442 -4.485 14.086 1.00 7.74 H new ATOM 0 HG2 ARG A 16 22.965 -5.215 11.894 1.00 8.25 H new ATOM 0 HG3 ARG A 16 24.311 -6.001 11.864 1.00 8.25 H new ATOM 0 HD2 ARG A 16 23.509 -7.261 13.767 1.00 7.10 H new ATOM 0 HD3 ARG A 16 22.121 -6.584 13.554 1.00 7.10 H new ATOM 0 HE ARG A 16 23.184 -8.452 11.883 1.00 6.29 H new ATOM 0 HH11 ARG A 16 20.574 -6.501 12.495 1.00 10.03 H new ATOM 0 HH12 ARG A 16 19.612 -7.210 11.605 1.00 10.03 H new ATOM 0 HH21 ARG A 16 21.743 -9.578 10.563 1.00 10.18 H new ATOM 0 HH22 ARG A 16 20.338 -9.106 10.416 1.00 10.18 H new ATOM 70 N GLY A 17 25.202 -2.188 14.995 1.00 8.90 N ATOM 71 CA GLY A 17 25.988 -1.766 16.151 1.00 9.73 C ATOM 72 C GLY A 17 25.140 -1.030 17.160 1.00 9.40 C ATOM 73 O GLY A 17 24.034 -0.543 16.858 1.00 8.93 O ATOM 0 H GLY A 17 24.414 -1.851 14.928 1.00 8.90 H new ATOM 0 HA2 GLY A 17 26.391 -2.542 16.570 1.00 9.73 H new ATOM 0 HA3 GLY A 17 26.714 -1.193 15.858 1.00 9.73 H new ATOM 74 N GLN A 18 25.679 -0.935 18.377 1.00 9.79 N ATOM 75 CA GLN A 18 25.033 -0.179 19.448 1.00 9.72 C ATOM 76 C GLN A 18 25.095 1.311 19.087 1.00 9.91 C ATOM 77 O GLN A 18 26.091 1.794 18.527 1.00 11.07 O ATOM 78 CB GLN A 18 25.686 -0.533 20.816 1.00 10.98 C ATOM 79 CG GLN A 18 25.401 -2.079 21.171 1.00 13.69 C ATOM 80 CD GLN A 18 25.629 -2.576 22.646 1.00 23.26 C ATOM 81 OE1 GLN A 18 26.594 -2.186 23.295 1.00 22.81 O ATOM 82 NE2 GLN A 18 24.767 -3.530 23.113 1.00 20.24 N ATOM 0 H GLN A 18 26.423 -1.304 18.602 1.00 9.79 H new ATOM 0 HA GLN A 18 24.096 -0.414 19.541 1.00 9.72 H new ATOM 0 HB2 GLN A 18 26.642 -0.371 20.779 1.00 10.98 H new ATOM 0 HB3 GLN A 18 25.328 0.039 21.513 1.00 10.98 H new ATOM 0 HG2 GLN A 18 24.479 -2.268 20.937 1.00 13.69 H new ATOM 0 HG3 GLN A 18 25.958 -2.621 20.590 1.00 13.69 H new ATOM 0 HE21 GLN A 18 24.100 -3.780 22.631 1.00 20.24 H new ATOM 0 HE22 GLN A 18 24.892 -3.880 23.889 1.00 20.24 H new ATOM 83 N VAL A 19 24.023 2.031 19.392 1.00 8.63 N ATOM 84 CA VAL A 19 23.979 3.469 19.081 1.00 8.18 C ATOM 85 C VAL A 19 24.607 4.210 20.256 1.00 7.81 C ATOM 86 O VAL A 19 24.184 4.039 21.394 1.00 8.36 O ATOM 87 CB VAL A 19 22.532 3.910 18.817 1.00 8.02 C ATOM 88 CG1 VAL A 19 22.463 5.452 18.724 1.00 8.15 C ATOM 89 CG2 VAL A 19 22.024 3.267 17.535 1.00 8.71 C ATOM 0 H VAL A 19 23.318 1.720 19.773 1.00 8.63 H new ATOM 0 HA VAL A 19 24.478 3.672 18.274 1.00 8.18 H new ATOM 0 HB VAL A 19 21.966 3.622 19.550 1.00 8.02 H new ATOM 0 HG11 VAL A 19 21.547 5.726 18.557 1.00 8.15 H new ATOM 0 HG12 VAL A 19 22.769 5.841 19.558 1.00 8.15 H new ATOM 0 HG13 VAL A 19 23.029 5.758 17.998 1.00 8.15 H new ATOM 0 HG21 VAL A 19 21.110 3.548 17.372 1.00 8.71 H new ATOM 0 HG22 VAL A 19 22.584 3.541 16.792 1.00 8.71 H new ATOM 0 HG23 VAL A 19 22.054 2.301 17.623 1.00 8.71 H new ATOM 90 N VAL A 20 25.647 4.992 19.966 1.00 7.27 N ATOM 91 CA VAL A 20 26.472 5.611 21.023 1.00 7.82 C ATOM 92 C VAL A 20 26.556 7.118 20.824 1.00 7.68 C ATOM 93 O VAL A 20 26.333 7.620 19.722 1.00 7.18 O ATOM 94 CB VAL A 20 27.884 5.004 21.102 1.00 7.33 C ATOM 95 CG1 VAL A 20 27.780 3.515 21.438 1.00 8.69 C ATOM 96 CG2 VAL A 20 28.669 5.241 19.811 1.00 8.23 C ATOM 0 H VAL A 20 25.897 5.181 19.165 1.00 7.27 H new ATOM 0 HA VAL A 20 26.032 5.424 21.867 1.00 7.82 H new ATOM 0 HB VAL A 20 28.378 5.447 21.809 1.00 7.33 H new ATOM 0 HG11 VAL A 20 28.670 3.131 21.488 1.00 8.69 H new ATOM 0 HG12 VAL A 20 27.333 3.406 22.292 1.00 8.69 H new ATOM 0 HG13 VAL A 20 27.271 3.062 20.747 1.00 8.69 H new ATOM 0 HG21 VAL A 20 29.552 4.848 19.892 1.00 8.23 H new ATOM 0 HG22 VAL A 20 28.200 4.831 19.067 1.00 8.23 H new ATOM 0 HG23 VAL A 20 28.753 6.194 19.654 1.00 8.23 H new ATOM 97 N ARG A 21 26.817 7.830 21.922 1.00 6.81 N ATOM 98 CA ARG A 21 26.858 9.286 21.852 1.00 8.43 C ATOM 99 C ARG A 21 28.117 9.755 21.158 1.00 7.09 C ATOM 100 O ARG A 21 29.160 9.088 21.225 1.00 8.10 O ATOM 101 CB ARG A 21 26.817 9.894 23.262 1.00 8.04 C ATOM 102 CG ARG A 21 25.410 9.941 23.824 1.00 11.90 C ATOM 103 CD ARG A 21 25.173 10.794 25.118 1.00 15.21 C ATOM 104 NE AARG A 21 23.751 11.015 25.399 0.50 16.91 N ATOM 105 NE BARG A 21 23.764 10.625 25.499 0.50 15.66 N ATOM 106 CZ AARG A 21 23.026 12.037 24.962 0.50 16.43 C ATOM 107 CZ BARG A 21 23.265 9.590 26.186 0.50 12.49 C ATOM 108 NH1AARG A 21 23.563 12.989 24.207 0.30 15.22 N ATOM 109 NH1BARG A 21 21.965 9.533 26.420 0.30 10.41 N ATOM 110 NH2AARG A 21 21.744 12.117 25.299 0.50 19.63 N ATOM 111 NH2BARG A 21 24.053 8.615 26.641 0.50 13.50 N ATOM 0 H ARG A 21 26.970 7.496 22.700 1.00 6.81 H new ATOM 0 HA ARG A 21 26.083 9.577 21.347 1.00 8.43 H new ATOM 0 HB2 ARG A 21 27.383 9.373 23.854 1.00 8.04 H new ATOM 0 HB3 ARG A 21 27.184 10.792 23.236 1.00 8.04 H new ATOM 0 HG2 ARG A 21 24.822 10.280 23.131 1.00 11.90 H new ATOM 0 HG3 ARG A 21 25.132 9.031 24.011 1.00 11.90 H new ATOM 0 HD2AARG A 21 25.582 10.347 25.875 0.50 15.21 H new ATOM 0 HD2BARG A 21 25.759 10.500 25.833 0.50 15.21 H new ATOM 0 HD3AARG A 21 25.617 11.651 25.021 0.50 15.21 H new ATOM 0 HD3BARG A 21 25.373 11.729 24.953 0.50 15.21 H new ATOM 0 HE AARG A 21 23.352 10.432 25.889 0.50 15.66 H new ATOM 0 HE BARG A 21 23.214 11.242 25.261 0.50 15.66 H new ATOM 0 HH11AARG A 21 24.395 12.950 23.993 0.30 10.41 H new ATOM 0 HH11BARG A 21 21.448 10.157 26.132 0.30 10.41 H new ATOM 0 HH12AARG A 21 23.079 13.644 23.932 0.30 10.41 H new ATOM 0 HH12BARG A 21 21.636 8.872 26.860 0.30 10.41 H new ATOM 0 HH21AARG A 21 21.391 11.510 25.796 0.50 13.50 H new ATOM 0 HH21BARG A 21 24.900 8.643 26.495 0.50 13.50 H new ATOM 0 HH22AARG A 21 21.266 12.776 25.020 0.50 13.50 H new ATOM 0 HH22BARG A 21 23.714 7.958 27.080 0.50 13.50 H new ATOM 112 N GLY A 22 28.023 10.938 20.571 1.00 5.90 N ATOM 113 CA GLY A 22 29.165 11.586 19.952 1.00 6.03 C ATOM 114 C GLY A 22 29.631 12.780 20.766 1.00 5.61 C ATOM 115 O GLY A 22 29.193 13.007 21.898 1.00 5.58 O ATOM 0 H GLY A 22 27.292 11.389 20.521 1.00 5.90 H new ATOM 0 HA2 GLY A 22 29.891 10.949 19.863 1.00 6.03 H new ATOM 0 HA3 GLY A 22 28.929 11.875 19.056 1.00 6.03 H new ATOM 116 N PHE A 23 30.521 13.555 20.177 1.00 6.05 N ATOM 117 CA PHE A 23 31.166 14.650 20.888 1.00 7.80 C ATOM 118 C PHE A 23 30.868 15.981 20.151 1.00 9.25 C ATOM 119 O PHE A 23 30.183 16.001 19.107 1.00 12.21 O ATOM 120 CB PHE A 23 32.644 14.279 21.100 1.00 6.01 C ATOM 121 CG PHE A 23 32.777 12.970 21.808 1.00 6.38 C ATOM 122 CD1 PHE A 23 32.611 12.904 23.200 1.00 9.04 C ATOM 123 CD2 PHE A 23 32.921 11.781 21.085 1.00 7.44 C ATOM 124 CE1 PHE A 23 32.650 11.690 23.850 1.00 8.02 C ATOM 125 CE2 PHE A 23 32.950 10.569 21.734 1.00 8.20 C ATOM 126 CZ PHE A 23 32.829 10.545 23.147 1.00 9.80 C ATOM 0 H PHE A 23 30.770 13.466 19.359 1.00 6.05 H new ATOM 0 HA PHE A 23 30.814 14.795 21.780 1.00 7.80 H new ATOM 0 HB2 PHE A 23 33.095 14.233 20.242 1.00 6.01 H new ATOM 0 HB3 PHE A 23 33.084 14.974 21.614 1.00 6.01 H new ATOM 0 HD1 PHE A 23 32.474 13.685 23.687 1.00 9.04 H new ATOM 0 HD2 PHE A 23 32.998 11.810 20.159 1.00 7.44 H new ATOM 0 HE1 PHE A 23 32.553 11.656 24.774 1.00 8.02 H new ATOM 0 HE2 PHE A 23 33.047 9.778 21.254 1.00 8.20 H new ATOM 0 HZ PHE A 23 32.873 9.732 23.597 1.00 9.80 H new ATOM 127 N GLY A 24 31.286 17.095 20.718 1.00 11.84 N ATOM 128 CA GLY A 24 30.785 18.380 20.202 1.00 12.69 C ATOM 129 C GLY A 24 29.260 18.539 20.343 1.00 13.43 C ATOM 130 O GLY A 24 28.641 17.902 21.212 1.00 14.27 O ATOM 0 H GLY A 24 31.837 17.144 21.377 1.00 11.84 H new ATOM 0 HA2 GLY A 24 31.225 19.105 20.674 1.00 12.69 H new ATOM 0 HA3 GLY A 24 31.028 18.463 19.266 1.00 12.69 H new ATOM 131 N ARG A 25 28.643 19.379 19.510 1.00 11.81 N ATOM 132 CA ARG A 25 27.202 19.584 19.622 1.00 12.02 C ATOM 133 C ARG A 25 26.474 18.656 18.658 1.00 11.24 C ATOM 134 O ARG A 25 26.806 18.586 17.477 1.00 13.99 O ATOM 135 CB AARG A 25 26.792 21.042 19.386 0.50 11.12 C ATOM 136 CB BARG A 25 26.846 21.043 19.305 0.50 11.12 C ATOM 137 CG AARG A 25 25.313 21.294 19.712 0.50 11.15 C ATOM 138 CG BARG A 25 27.741 22.080 19.974 0.50 10.35 C ATOM 139 CD AARG A 25 24.914 22.752 19.890 0.50 9.91 C ATOM 140 CD BARG A 25 27.328 23.534 19.710 0.50 11.88 C ATOM 141 NE AARG A 25 25.496 23.333 21.100 0.50 10.36 N ATOM 142 NE BARG A 25 27.791 24.402 20.787 0.50 11.58 N ATOM 143 CZ AARG A 25 25.016 23.181 22.330 0.50 6.62 C ATOM 144 CZ BARG A 25 29.041 24.824 20.916 0.50 12.03 C ATOM 145 NH1AARG A 25 23.911 22.487 22.568 0.50 10.46 N ATOM 146 NH1BARG A 25 29.960 24.492 20.016 0.50 13.36 N ATOM 147 NH2AARG A 25 25.622 23.743 23.327 0.50 7.29 N ATOM 148 NH2BARG A 25 29.370 25.576 21.941 0.50 12.15 N ATOM 0 H ARG A 25 29.031 19.829 18.888 1.00 11.81 H new ATOM 0 HA ARG A 25 26.947 19.371 20.533 1.00 12.02 H new ATOM 0 HB2AARG A 25 27.344 21.623 19.932 0.50 11.12 H new ATOM 0 HB2BARG A 25 26.886 21.171 18.344 0.50 11.12 H new ATOM 0 HB3AARG A 25 26.961 21.277 18.460 0.50 11.12 H new ATOM 0 HB3BARG A 25 25.928 21.205 19.574 0.50 11.12 H new ATOM 0 HG2AARG A 25 24.773 20.913 19.002 0.50 10.35 H new ATOM 0 HG2BARG A 25 27.740 21.923 20.931 0.50 10.35 H new ATOM 0 HG3AARG A 25 25.092 20.814 20.525 0.50 10.35 H new ATOM 0 HG3BARG A 25 28.652 21.952 19.666 0.50 10.35 H new ATOM 0 HD2AARG A 25 25.201 23.262 19.116 0.50 11.88 H new ATOM 0 HD2BARG A 25 27.699 23.833 18.865 0.50 11.88 H new ATOM 0 HD3AARG A 25 23.947 22.820 19.932 0.50 11.88 H new ATOM 0 HD3BARG A 25 26.363 23.593 19.633 0.50 11.88 H new ATOM 0 HE AARG A 25 26.205 23.811 21.008 0.50 11.58 H new ATOM 0 HE BARG A 25 27.217 24.656 21.375 0.50 11.58 H new ATOM 0 HH11AARG A 25 23.485 22.121 21.917 0.50 13.36 H new ATOM 0 HH11BARG A 25 29.746 24.000 19.344 0.50 13.36 H new ATOM 0 HH12AARG A 25 23.621 22.403 23.373 0.50 13.36 H new ATOM 0 HH12BARG A 25 30.769 24.769 20.105 0.50 13.36 H new ATOM 0 HH21AARG A 25 26.330 24.211 23.191 0.50 12.15 H new ATOM 0 HH21BARG A 25 28.776 25.792 22.524 0.50 12.15 H new ATOM 0 HH22AARG A 25 25.316 23.648 24.125 0.50 12.15 H new ATOM 0 HH22BARG A 25 30.180 25.852 22.029 0.50 12.15 H new ATOM 149 N GLY A 26 25.485 17.951 19.148 1.00 10.99 N ATOM 150 CA GLY A 26 24.797 16.985 18.308 1.00 9.22 C ATOM 151 C GLY A 26 24.041 17.631 17.167 1.00 9.41 C ATOM 152 O GLY A 26 23.528 18.736 17.315 1.00 9.80 O ATOM 0 H GLY A 26 25.193 18.009 19.955 1.00 10.99 H new ATOM 0 HA2 GLY A 26 25.443 16.358 17.948 1.00 9.22 H new ATOM 0 HA3 GLY A 26 24.178 16.473 18.852 1.00 9.22 H new ATOM 153 N SER A 27 23.931 16.935 16.044 1.00 8.38 N ATOM 154 CA SER A 27 23.170 17.468 14.888 1.00 8.21 C ATOM 155 C SER A 27 21.648 17.481 15.090 1.00 8.18 C ATOM 156 O SER A 27 20.931 17.954 14.206 1.00 9.16 O ATOM 157 CB SER A 27 23.531 16.712 13.600 1.00 7.61 C ATOM 158 OG SER A 27 23.170 15.341 13.715 1.00 7.95 O ATOM 0 H SER A 27 24.280 16.159 15.918 1.00 8.38 H new ATOM 0 HA SER A 27 23.438 18.397 14.808 1.00 8.21 H new ATOM 0 HB2 SER A 27 23.073 17.111 12.844 1.00 7.61 H new ATOM 0 HB3 SER A 27 24.483 16.789 13.428 1.00 7.61 H new ATOM 0 HG SER A 27 23.850 14.861 13.601 1.00 7.95 H new ATOM 159 N LYS A 28 21.161 16.968 16.225 1.00 7.60 N ATOM 160 CA LYS A 28 19.822 17.331 16.735 1.00 8.30 C ATOM 161 C LYS A 28 19.596 18.838 16.712 1.00 7.91 C ATOM 162 O LYS A 28 18.467 19.296 16.518 1.00 9.41 O ATOM 163 CB LYS A 28 19.616 16.877 18.189 1.00 8.44 C ATOM 164 CG LYS A 28 19.009 15.515 18.318 1.00 11.79 C ATOM 165 CD LYS A 28 18.952 15.078 19.768 1.00 11.70 C ATOM 166 CE LYS A 28 18.310 13.710 19.930 1.00 14.55 C ATOM 167 NZ LYS A 28 18.290 13.382 21.405 1.00 19.79 N ATOM 0 H LYS A 28 21.587 16.407 16.718 1.00 7.60 H new ATOM 0 HA LYS A 28 19.196 16.881 16.147 1.00 8.30 H new ATOM 0 HB2 LYS A 28 20.472 16.885 18.645 1.00 8.44 H new ATOM 0 HB3 LYS A 28 19.047 17.519 18.642 1.00 8.44 H new ATOM 0 HG2 LYS A 28 18.114 15.520 17.943 1.00 11.79 H new ATOM 0 HG3 LYS A 28 19.528 14.876 17.805 1.00 11.79 H new ATOM 0 HD2 LYS A 28 19.850 15.057 20.134 1.00 11.70 H new ATOM 0 HD3 LYS A 28 18.452 15.731 20.282 1.00 11.70 H new ATOM 0 HE2 LYS A 28 17.409 13.712 19.570 1.00 14.55 H new ATOM 0 HE3 LYS A 28 18.810 13.039 19.439 1.00 14.55 H new ATOM 0 HZ1 LYS A 28 17.746 12.692 21.549 1.00 19.79 H new ATOM 0 HZ2 LYS A 28 19.112 13.172 21.674 1.00 19.79 H new ATOM 0 HZ3 LYS A 28 18.000 14.088 21.862 1.00 19.79 H new ATOM 168 N GLN A 29 20.652 19.618 16.929 1.00 7.47 N ATOM 169 CA GLN A 29 20.513 21.084 16.914 1.00 8.15 C ATOM 170 C GLN A 29 19.980 21.566 15.560 1.00 9.69 C ATOM 171 O GLN A 29 19.333 22.620 15.507 1.00 10.69 O ATOM 172 CB GLN A 29 21.823 21.807 17.246 1.00 8.35 C ATOM 173 CG GLN A 29 22.914 21.594 16.184 1.00 13.67 C ATOM 174 CD GLN A 29 24.185 22.430 16.374 1.00 17.30 C ATOM 175 OE1 GLN A 29 24.119 23.617 16.621 1.00 17.75 O ATOM 176 NE2 GLN A 29 25.343 21.791 16.213 1.00 23.49 N ATOM 0 H GLN A 29 21.447 19.330 17.085 1.00 7.47 H new ATOM 0 HA GLN A 29 19.875 21.306 17.610 1.00 8.15 H new ATOM 0 HB2 GLN A 29 21.648 22.757 17.337 1.00 8.35 H new ATOM 0 HB3 GLN A 29 22.150 21.496 18.105 1.00 8.35 H new ATOM 0 HG2 GLN A 29 23.160 20.656 16.178 1.00 13.67 H new ATOM 0 HG3 GLN A 29 22.540 21.795 15.312 1.00 13.67 H new ATOM 0 HE21 GLN A 29 25.349 20.949 16.039 1.00 23.49 H new ATOM 0 HE22 GLN A 29 26.085 22.221 16.283 1.00 23.49 H new ATOM 177 N LEU A 30 20.289 20.818 14.497 1.00 8.98 N ATOM 178 CA LEU A 30 19.835 21.138 13.130 1.00 10.89 C ATOM 179 C LEU A 30 18.524 20.466 12.747 1.00 10.55 C ATOM 180 O LEU A 30 18.020 20.700 11.649 1.00 12.04 O ATOM 181 CB LEU A 30 20.897 20.733 12.092 1.00 10.58 C ATOM 182 CG LEU A 30 22.329 21.170 12.366 1.00 13.01 C ATOM 183 CD1 LEU A 30 23.228 20.643 11.292 1.00 17.40 C ATOM 184 CD2 LEU A 30 22.465 22.705 12.503 1.00 14.15 C ATOM 0 H LEU A 30 20.770 20.107 14.545 1.00 8.98 H new ATOM 0 HA LEU A 30 19.693 22.098 13.130 1.00 10.89 H new ATOM 0 HB2 LEU A 30 20.887 19.766 12.011 1.00 10.58 H new ATOM 0 HB3 LEU A 30 20.631 21.093 11.231 1.00 10.58 H new ATOM 0 HG LEU A 30 22.595 20.797 13.221 1.00 13.01 H new ATOM 0 HD11 LEU A 30 24.140 20.922 11.468 1.00 17.40 H new ATOM 0 HD12 LEU A 30 23.184 19.674 11.279 1.00 17.40 H new ATOM 0 HD13 LEU A 30 22.944 20.991 10.432 1.00 17.40 H new ATOM 0 HD21 LEU A 30 23.392 22.934 12.676 1.00 14.15 H new ATOM 0 HD22 LEU A 30 22.176 23.130 11.681 1.00 14.15 H new ATOM 0 HD23 LEU A 30 21.913 23.015 13.238 1.00 14.15 H new ATOM 185 N GLY A 31 17.959 19.688 13.657 1.00 11.08 N ATOM 186 CA GLY A 31 16.741 18.949 13.429 1.00 10.47 C ATOM 187 C GLY A 31 17.065 17.710 12.615 1.00 11.14 C ATOM 188 O GLY A 31 16.134 17.057 12.116 1.00 11.90 O ATOM 0 H GLY A 31 18.286 19.575 14.444 1.00 11.08 H new ATOM 0 HA2 GLY A 31 16.337 18.699 14.275 1.00 10.47 H new ATOM 0 HA3 GLY A 31 16.097 19.501 12.959 1.00 10.47 H new ATOM 189 N ILE A 32 18.363 17.357 12.511 1.00 10.07 N ATOM 190 CA ILE A 32 18.768 16.211 11.675 1.00 8.41 C ATOM 191 C ILE A 32 19.681 15.265 12.502 1.00 7.53 C ATOM 192 O ILE A 32 20.903 15.285 12.318 1.00 7.36 O ATOM 193 CB ILE A 32 19.448 16.651 10.355 1.00 8.33 C ATOM 194 CG1 ILE A 32 18.557 17.684 9.622 1.00 10.58 C ATOM 195 CG2 ILE A 32 19.697 15.388 9.459 1.00 8.97 C ATOM 196 CD1 ILE A 32 19.167 18.368 8.413 1.00 15.11 C ATOM 0 H ILE A 32 19.010 17.761 12.909 1.00 10.07 H new ATOM 0 HA ILE A 32 17.968 15.730 11.412 1.00 8.41 H new ATOM 0 HB ILE A 32 20.301 17.072 10.547 1.00 8.33 H new ATOM 0 HG12 ILE A 32 17.744 17.237 9.340 1.00 10.58 H new ATOM 0 HG13 ILE A 32 18.298 18.368 10.259 1.00 10.58 H new ATOM 0 HG21 ILE A 32 20.123 15.658 8.630 1.00 8.97 H new ATOM 0 HG22 ILE A 32 20.272 14.765 9.930 1.00 8.97 H new ATOM 0 HG23 ILE A 32 18.850 14.959 9.262 1.00 8.97 H new ATOM 0 HD11 ILE A 32 18.526 18.990 8.035 1.00 15.11 H new ATOM 0 HD12 ILE A 32 19.965 18.850 8.682 1.00 15.11 H new ATOM 0 HD13 ILE A 32 19.401 17.702 7.748 1.00 15.11 H new ATOM 197 N PRO A 33 19.109 14.498 13.435 1.00 7.50 N ATOM 198 CA PRO A 33 19.949 13.714 14.364 1.00 6.49 C ATOM 199 C PRO A 33 20.723 12.656 13.603 1.00 6.62 C ATOM 200 O PRO A 33 20.221 12.134 12.604 1.00 5.30 O ATOM 201 CB PRO A 33 18.958 13.007 15.293 1.00 7.41 C ATOM 202 CG PRO A 33 17.609 13.147 14.636 1.00 8.49 C ATOM 203 CD PRO A 33 17.668 14.338 13.713 1.00 8.00 C ATOM 0 HA PRO A 33 20.582 14.279 14.835 1.00 6.49 H new ATOM 0 HB2 PRO A 33 19.194 12.073 15.408 1.00 7.41 H new ATOM 0 HB3 PRO A 33 18.959 13.410 16.175 1.00 7.41 H new ATOM 0 HG2 PRO A 33 17.387 12.343 14.140 1.00 8.49 H new ATOM 0 HG3 PRO A 33 16.916 13.269 15.304 1.00 8.49 H new ATOM 0 HD2 PRO A 33 17.164 14.183 12.899 1.00 8.00 H new ATOM 0 HD3 PRO A 33 17.296 15.131 14.130 1.00 8.00 H new ATOM 204 N THR A 34 21.943 12.390 14.064 1.00 5.52 N ATOM 205 CA THR A 34 22.854 11.448 13.398 1.00 5.49 C ATOM 206 C THR A 34 23.365 10.445 14.444 1.00 5.65 C ATOM 207 O THR A 34 24.049 10.812 15.399 1.00 4.72 O ATOM 208 CB THR A 34 24.073 12.165 12.818 1.00 4.71 C ATOM 209 OG1 THR A 34 24.491 13.204 13.730 1.00 5.43 O ATOM 210 CG2 THR A 34 23.670 12.919 11.567 1.00 7.27 C ATOM 0 H THR A 34 22.270 12.750 14.773 1.00 5.52 H new ATOM 0 HA THR A 34 22.368 11.013 12.680 1.00 5.49 H new ATOM 0 HB THR A 34 24.760 11.501 12.653 1.00 4.71 H new ATOM 0 HG21 THR A 34 24.444 13.374 11.200 1.00 7.27 H new ATOM 0 HG22 THR A 34 23.321 12.295 10.911 1.00 7.27 H new ATOM 0 HG23 THR A 34 22.987 13.571 11.788 1.00 7.27 H new ATOM 211 N ALA A 35 23.035 9.187 14.243 1.00 4.20 N ATOM 212 CA ALA A 35 23.416 8.135 15.175 1.00 4.47 C ATOM 213 C ALA A 35 24.797 7.589 14.837 1.00 5.19 C ATOM 214 O ALA A 35 25.085 7.284 13.646 1.00 5.97 O ATOM 215 CB ALA A 35 22.385 7.021 15.091 1.00 4.43 C ATOM 0 H ALA A 35 22.584 8.913 13.564 1.00 4.20 H new ATOM 0 HA ALA A 35 23.448 8.497 16.074 1.00 4.47 H new ATOM 0 HB1 ALA A 35 22.625 6.311 15.707 1.00 4.43 H new ATOM 0 HB2 ALA A 35 21.511 7.370 15.325 1.00 4.43 H new ATOM 0 HB3 ALA A 35 22.361 6.670 14.187 1.00 4.43 H new ATOM 216 N ASN A 36 25.599 7.418 15.891 1.00 5.70 N ATOM 217 CA ASN A 36 26.946 6.805 15.825 1.00 6.92 C ATOM 218 C ASN A 36 26.993 5.351 16.261 1.00 7.69 C ATOM 219 O ASN A 36 26.210 4.898 17.097 1.00 7.17 O ATOM 220 CB ASN A 36 27.961 7.605 16.674 1.00 5.78 C ATOM 221 CG ASN A 36 27.756 9.098 16.542 1.00 6.57 C ATOM 222 OD1 ASN A 36 28.019 9.681 15.482 1.00 8.44 O ATOM 223 ND2 ASN A 36 27.216 9.723 17.581 1.00 5.11 N ATOM 0 H ASN A 36 25.376 7.659 16.686 1.00 5.70 H new ATOM 0 HA ASN A 36 27.183 6.833 14.885 1.00 6.92 H new ATOM 0 HB2 ASN A 36 27.876 7.349 17.606 1.00 5.78 H new ATOM 0 HB3 ASN A 36 28.863 7.377 16.398 1.00 5.78 H new ATOM 0 HD21 ASN A 36 27.036 10.563 17.532 1.00 5.11 H new ATOM 0 HD22 ASN A 36 27.046 9.288 18.303 1.00 5.11 H new ATOM 224 N PHE A 37 27.945 4.616 15.676 1.00 11.97 N ATOM 225 CA PHE A 37 28.280 3.247 16.110 1.00 13.09 C ATOM 226 C PHE A 37 29.596 3.243 16.907 1.00 14.37 C ATOM 227 O PHE A 37 30.363 4.176 16.752 1.00 16.13 O ATOM 228 CB PHE A 37 28.601 2.428 14.857 1.00 13.88 C ATOM 229 CG PHE A 37 27.405 1.966 14.053 1.00 12.91 C ATOM 230 CD1 PHE A 37 26.294 1.411 14.659 1.00 14.36 C ATOM 231 CD2 PHE A 37 27.482 1.983 12.670 1.00 12.89 C ATOM 232 CE1 PHE A 37 25.222 0.905 13.845 1.00 13.64 C ATOM 233 CE2 PHE A 37 26.448 1.462 11.866 1.00 13.05 C ATOM 234 CZ PHE A 37 25.321 0.958 12.461 1.00 13.78 C ATOM 0 H PHE A 37 28.418 4.896 15.014 1.00 11.97 H new ATOM 0 HA PHE A 37 27.541 2.902 16.635 1.00 13.09 H new ATOM 0 HB2 PHE A 37 29.172 2.959 14.281 1.00 13.88 H new ATOM 0 HB3 PHE A 37 29.113 1.648 15.122 1.00 13.88 H new ATOM 0 HD1 PHE A 37 26.240 1.365 15.586 1.00 14.36 H new ATOM 0 HD2 PHE A 37 28.234 2.347 12.262 1.00 12.89 H new ATOM 0 HE1 PHE A 37 24.464 0.543 14.245 1.00 13.64 H new ATOM 0 HE2 PHE A 37 26.530 1.460 10.940 1.00 13.05 H new ATOM 0 HZ PHE A 37 24.619 0.650 11.935 1.00 13.78 H new ATOM 235 N PRO A 38 29.892 2.206 17.696 1.00 14.71 N ATOM 236 CA PRO A 38 31.223 2.105 18.329 1.00 14.13 C ATOM 237 C PRO A 38 32.340 2.037 17.252 1.00 14.24 C ATOM 238 O PRO A 38 32.082 1.648 16.125 1.00 12.94 O ATOM 239 CB PRO A 38 31.135 0.826 19.160 1.00 14.67 C ATOM 240 CG PRO A 38 29.701 0.583 19.343 1.00 15.11 C ATOM 241 CD PRO A 38 29.016 1.087 18.091 1.00 14.92 C ATOM 0 HA PRO A 38 31.449 2.874 18.876 1.00 14.13 H new ATOM 0 HB2 PRO A 38 31.561 0.083 18.705 1.00 14.67 H new ATOM 0 HB3 PRO A 38 31.584 0.931 20.013 1.00 14.67 H new ATOM 0 HG2 PRO A 38 29.525 -0.362 19.476 1.00 15.11 H new ATOM 0 HG3 PRO A 38 29.370 1.047 20.128 1.00 15.11 H new ATOM 0 HD2 PRO A 38 28.966 0.404 17.404 1.00 14.92 H new ATOM 0 HD3 PRO A 38 28.108 1.380 18.266 1.00 14.92 H new ATOM 242 N GLU A 39 33.555 2.466 17.595 1.00 12.82 N ATOM 243 CA GLU A 39 34.713 2.473 16.686 1.00 14.13 C ATOM 244 C GLU A 39 34.902 1.104 15.986 1.00 13.11 C ATOM 245 O GLU A 39 35.263 1.049 14.787 1.00 13.00 O ATOM 246 CB GLU A 39 35.971 2.882 17.499 1.00 14.81 C ATOM 247 CG GLU A 39 37.330 2.776 16.813 1.00 19.95 C ATOM 248 CD GLU A 39 38.498 3.233 17.687 1.00 25.19 C ATOM 249 OE1 GLU A 39 38.345 3.267 18.943 1.00 27.06 O ATOM 250 OE2 GLU A 39 39.588 3.545 17.119 1.00 27.48 O ATOM 0 H GLU A 39 33.737 2.769 18.379 1.00 12.82 H new ATOM 0 HA GLU A 39 34.563 3.117 15.976 1.00 14.13 H new ATOM 0 HB2 GLU A 39 35.854 3.801 17.787 1.00 14.81 H new ATOM 0 HB3 GLU A 39 35.998 2.335 18.300 1.00 14.81 H new ATOM 0 HG2 GLU A 39 37.477 1.855 16.546 1.00 19.95 H new ATOM 0 HG3 GLU A 39 37.316 3.308 16.002 1.00 19.95 H new ATOM 251 N GLN A 40 34.632 0.019 16.716 1.00 13.30 N ATOM 252 CA GLN A 40 34.768 -1.362 16.191 1.00 13.65 C ATOM 253 C GLN A 40 34.013 -1.536 14.875 1.00 13.06 C ATOM 254 O GLN A 40 34.486 -2.231 13.955 1.00 12.51 O ATOM 255 CB GLN A 40 34.238 -2.403 17.215 1.00 14.83 C ATOM 256 CG GLN A 40 32.678 -2.494 17.198 1.00 17.97 C ATOM 257 CD GLN A 40 32.012 -3.195 18.405 1.00 23.75 C ATOM 258 OE1 GLN A 40 30.914 -3.807 18.261 1.00 21.96 O ATOM 259 NE2 GLN A 40 32.635 -3.089 19.573 1.00 21.62 N ATOM 0 H GLN A 40 34.364 0.055 17.532 1.00 13.30 H new ATOM 0 HA GLN A 40 35.714 -1.512 16.037 1.00 13.65 H new ATOM 0 HB2 GLN A 40 34.615 -3.274 17.015 1.00 14.83 H new ATOM 0 HB3 GLN A 40 34.538 -2.162 18.105 1.00 14.83 H new ATOM 0 HG2 GLN A 40 32.322 -1.594 17.136 1.00 17.97 H new ATOM 0 HG3 GLN A 40 32.410 -2.961 16.391 1.00 17.97 H new ATOM 0 HE21 GLN A 40 33.380 -2.663 19.626 1.00 21.62 H new ATOM 0 HE22 GLN A 40 32.293 -3.446 20.277 1.00 21.62 H new ATOM 260 N VAL A 41 32.820 -0.932 14.767 1.00 12.01 N ATOM 261 CA VAL A 41 32.023 -1.117 13.575 1.00 12.53 C ATOM 262 C VAL A 41 32.702 -0.402 12.418 1.00 12.38 C ATOM 263 O VAL A 41 32.916 -0.994 11.363 1.00 10.76 O ATOM 264 CB VAL A 41 30.542 -0.610 13.718 1.00 11.76 C ATOM 265 CG1 VAL A 41 29.858 -0.619 12.383 1.00 15.09 C ATOM 266 CG2 VAL A 41 29.805 -1.461 14.743 1.00 14.74 C ATOM 0 H VAL A 41 32.471 -0.424 15.366 1.00 12.01 H new ATOM 0 HA VAL A 41 31.965 -2.072 13.415 1.00 12.53 H new ATOM 0 HB VAL A 41 30.540 0.306 14.036 1.00 11.76 H new ATOM 0 HG11 VAL A 41 28.946 -0.305 12.484 1.00 15.09 H new ATOM 0 HG12 VAL A 41 30.334 -0.036 11.771 1.00 15.09 H new ATOM 0 HG13 VAL A 41 29.851 -1.522 12.029 1.00 15.09 H new ATOM 0 HG21 VAL A 41 28.892 -1.146 14.829 1.00 14.74 H new ATOM 0 HG22 VAL A 41 29.801 -2.387 14.453 1.00 14.74 H new ATOM 0 HG23 VAL A 41 30.252 -1.394 15.601 1.00 14.74 H new ATOM 267 N VAL A 42 33.050 0.871 12.644 1.00 12.30 N ATOM 268 CA VAL A 42 33.625 1.699 11.590 1.00 13.97 C ATOM 269 C VAL A 42 34.964 1.086 11.134 1.00 14.05 C ATOM 270 O VAL A 42 35.293 1.102 9.948 1.00 14.17 O ATOM 271 CB VAL A 42 33.852 3.158 12.077 1.00 14.26 C ATOM 272 CG1 VAL A 42 34.314 4.027 10.927 1.00 16.60 C ATOM 273 CG2 VAL A 42 32.560 3.722 12.695 1.00 17.50 C ATOM 0 H VAL A 42 32.959 1.268 13.401 1.00 12.30 H new ATOM 0 HA VAL A 42 33.002 1.726 10.847 1.00 13.97 H new ATOM 0 HB VAL A 42 34.542 3.156 12.758 1.00 14.26 H new ATOM 0 HG11 VAL A 42 34.452 4.934 11.242 1.00 16.60 H new ATOM 0 HG12 VAL A 42 35.146 3.678 10.572 1.00 16.60 H new ATOM 0 HG13 VAL A 42 33.640 4.027 10.230 1.00 16.60 H new ATOM 0 HG21 VAL A 42 32.715 4.632 12.995 1.00 17.50 H new ATOM 0 HG22 VAL A 42 31.854 3.717 12.030 1.00 17.50 H new ATOM 0 HG23 VAL A 42 32.296 3.174 13.450 1.00 17.50 H new ATOM 274 N ASP A 43 35.721 0.526 12.077 1.00 14.42 N ATOM 275 CA ASP A 43 37.017 -0.082 11.731 1.00 15.15 C ATOM 276 C ASP A 43 36.936 -1.299 10.827 1.00 15.45 C ATOM 277 O ASP A 43 37.937 -1.659 10.162 1.00 15.42 O ATOM 278 CB ASP A 43 37.828 -0.359 12.979 1.00 16.62 C ATOM 279 CG ASP A 43 38.291 0.912 13.634 1.00 17.98 C ATOM 280 OD1 ASP A 43 38.068 2.017 13.054 1.00 21.88 O ATOM 281 OD2 ASP A 43 38.854 0.910 14.728 1.00 23.19 O ATOM 0 H ASP A 43 35.512 0.485 12.910 1.00 14.42 H new ATOM 0 HA ASP A 43 37.478 0.581 11.193 1.00 15.15 H new ATOM 0 HB2 ASP A 43 37.293 -0.870 13.606 1.00 16.62 H new ATOM 0 HB3 ASP A 43 38.597 -0.905 12.751 1.00 16.62 H new ATOM 282 N ASN A 44 35.763 -1.916 10.757 1.00 14.46 N ATOM 283 CA ASN A 44 35.625 -3.078 9.899 1.00 15.52 C ATOM 284 C ASN A 44 35.112 -2.778 8.524 1.00 15.72 C ATOM 285 O ASN A 44 34.919 -3.702 7.737 1.00 16.07 O ATOM 286 CB ASN A 44 34.813 -4.173 10.575 1.00 15.71 C ATOM 287 CG ASN A 44 35.670 -5.002 11.481 1.00 16.96 C ATOM 288 OD1 ASN A 44 36.335 -5.942 11.032 1.00 18.40 O ATOM 289 ND2 ASN A 44 35.763 -4.595 12.752 1.00 19.25 N ATOM 0 H ASN A 44 35.054 -1.685 11.186 1.00 14.46 H new ATOM 0 HA ASN A 44 36.529 -3.404 9.763 1.00 15.52 H new ATOM 0 HB2 ASN A 44 34.090 -3.775 11.084 1.00 15.71 H new ATOM 0 HB3 ASN A 44 34.407 -4.740 9.901 1.00 15.71 H new ATOM 0 HD21 ASN A 44 36.302 -4.992 13.292 1.00 19.25 H new ATOM 0 HD22 ASN A 44 35.284 -3.937 13.029 1.00 19.25 H new ATOM 290 N LEU A 45 34.874 -1.491 8.227 1.00 15.87 N ATOM 291 CA LEU A 45 34.545 -1.093 6.859 1.00 17.05 C ATOM 292 C LEU A 45 35.719 -1.428 5.937 1.00 17.69 C ATOM 293 O LEU A 45 36.870 -1.270 6.319 1.00 17.36 O ATOM 294 CB LEU A 45 34.290 0.415 6.765 1.00 16.96 C ATOM 295 CG LEU A 45 33.066 1.049 7.397 1.00 16.97 C ATOM 296 CD1 LEU A 45 33.280 2.597 7.556 1.00 20.50 C ATOM 297 CD2 LEU A 45 31.880 0.743 6.574 1.00 20.17 C ATOM 0 H LEU A 45 34.899 -0.847 8.796 1.00 15.87 H new ATOM 0 HA LEU A 45 33.743 -1.571 6.595 1.00 17.05 H new ATOM 0 HB2 LEU A 45 35.065 0.857 7.145 1.00 16.96 H new ATOM 0 HB3 LEU A 45 34.269 0.640 5.822 1.00 16.96 H new ATOM 0 HG LEU A 45 32.924 0.683 8.284 1.00 16.97 H new ATOM 0 HD11 LEU A 45 32.492 2.993 7.961 1.00 20.50 H new ATOM 0 HD12 LEU A 45 34.051 2.761 8.122 1.00 20.50 H new ATOM 0 HD13 LEU A 45 33.429 2.994 6.684 1.00 20.50 H new ATOM 0 HD21 LEU A 45 31.095 1.147 6.975 1.00 20.17 H new ATOM 0 HD22 LEU A 45 32.005 1.099 5.680 1.00 20.17 H new ATOM 0 HD23 LEU A 45 31.759 -0.218 6.525 1.00 20.17 H new ATOM 298 N PRO A 46 35.436 -1.890 4.727 1.00 19.89 N ATOM 299 CA PRO A 46 36.486 -2.072 3.713 1.00 21.54 C ATOM 300 C PRO A 46 37.133 -0.730 3.398 1.00 23.33 C ATOM 301 O PRO A 46 36.456 0.278 3.595 1.00 23.37 O ATOM 302 CB PRO A 46 35.697 -2.540 2.482 1.00 21.87 C ATOM 303 CG PRO A 46 34.447 -3.094 3.009 1.00 21.42 C ATOM 304 CD PRO A 46 34.111 -2.300 4.239 1.00 20.37 C ATOM 0 HA PRO A 46 37.186 -2.683 3.992 1.00 21.54 H new ATOM 0 HB2 PRO A 46 35.525 -1.802 1.876 1.00 21.87 H new ATOM 0 HB3 PRO A 46 36.192 -3.208 1.982 1.00 21.87 H new ATOM 0 HG2 PRO A 46 33.737 -3.029 2.352 1.00 21.42 H new ATOM 0 HG3 PRO A 46 34.550 -4.034 3.223 1.00 21.42 H new ATOM 0 HD2 PRO A 46 33.550 -1.536 4.033 1.00 20.37 H new ATOM 0 HD3 PRO A 46 33.634 -2.834 4.894 1.00 20.37 H new ATOM 305 N ALA A 47 38.365 -0.702 2.885 1.00 24.95 N ATOM 306 CA ALA A 47 38.957 0.566 2.403 1.00 26.10 C ATOM 307 C ALA A 47 38.290 1.157 1.137 1.00 27.37 C ATOM 308 O ALA A 47 38.241 2.381 0.965 1.00 27.00 O ATOM 309 CB ALA A 47 40.421 0.437 2.222 1.00 26.13 C ATOM 0 H ALA A 47 38.873 -1.391 2.805 1.00 24.95 H new ATOM 0 HA ALA A 47 38.776 1.209 3.106 1.00 26.10 H new ATOM 0 HB1 ALA A 47 40.784 1.279 1.906 1.00 26.13 H new ATOM 0 HB2 ALA A 47 40.833 0.205 3.069 1.00 26.13 H new ATOM 0 HB3 ALA A 47 40.607 -0.258 1.572 1.00 26.13 H new ATOM 310 N ASP A 48 37.760 0.294 0.268 1.00 28.33 N ATOM 311 CA ASP A 48 37.099 0.747 -0.971 1.00 28.93 C ATOM 312 C ASP A 48 35.889 1.585 -0.622 1.00 28.35 C ATOM 313 O ASP A 48 35.268 2.237 -1.485 1.00 28.86 O ATOM 314 CB ASP A 48 36.689 -0.436 -1.854 1.00 29.59 C ATOM 315 CG ASP A 48 35.991 -1.521 -1.071 1.00 31.11 C ATOM 316 OD1 ASP A 48 34.761 -1.392 -0.856 1.00 32.43 O ATOM 317 OD2 ASP A 48 36.597 -2.527 -0.618 1.00 32.88 O ATOM 0 H ASP A 48 37.770 -0.560 0.373 1.00 28.33 H new ATOM 0 HA ASP A 48 37.731 1.283 -1.475 1.00 28.93 H new ATOM 0 HB2 ASP A 48 36.103 -0.122 -2.560 1.00 29.59 H new ATOM 0 HB3 ASP A 48 37.477 -0.805 -2.283 1.00 29.59 H new ATOM 318 N ILE A 49 35.548 1.552 0.661 1.00 27.05 N ATOM 319 CA ILE A 49 34.667 2.517 1.220 1.00 25.95 C ATOM 320 C ILE A 49 35.400 3.877 1.210 1.00 24.08 C ATOM 321 O ILE A 49 36.455 4.111 1.842 1.00 23.57 O ATOM 322 CB ILE A 49 34.199 2.060 2.592 1.00 26.90 C ATOM 323 CG1 ILE A 49 32.670 1.998 2.597 1.00 28.61 C ATOM 324 CG2 ILE A 49 34.814 2.909 3.705 1.00 27.95 C ATOM 325 CD1 ILE A 49 32.111 0.597 2.232 1.00 28.88 C ATOM 0 H ILE A 49 35.830 0.962 1.219 1.00 27.05 H new ATOM 0 HA ILE A 49 33.854 2.620 0.700 1.00 25.95 H new ATOM 0 HB ILE A 49 34.517 1.163 2.781 1.00 26.90 H new ATOM 0 HG12 ILE A 49 32.345 2.250 3.476 1.00 28.61 H new ATOM 0 HG13 ILE A 49 32.324 2.651 1.969 1.00 28.61 H new ATOM 0 HG21 ILE A 49 34.497 2.593 4.566 1.00 27.95 H new ATOM 0 HG22 ILE A 49 35.781 2.837 3.671 1.00 27.95 H new ATOM 0 HG23 ILE A 49 34.555 3.836 3.586 1.00 27.95 H new ATOM 0 HD11 ILE A 49 31.141 0.620 2.252 1.00 28.88 H new ATOM 0 HD12 ILE A 49 32.410 0.351 1.343 1.00 28.88 H new ATOM 0 HD13 ILE A 49 32.432 -0.057 2.873 1.00 28.88 H new ATOM 326 N SER A 50 34.862 4.731 0.373 1.00 19.59 N ATOM 327 CA SER A 50 35.310 6.088 0.249 1.00 17.14 C ATOM 328 C SER A 50 34.603 6.888 1.313 1.00 13.68 C ATOM 329 O SER A 50 33.473 6.571 1.703 1.00 12.43 O ATOM 330 CB SER A 50 34.826 6.599 -1.099 1.00 16.45 C ATOM 331 OG SER A 50 34.993 5.585 -2.071 1.00 21.59 O ATOM 0 H SER A 50 34.210 4.531 -0.151 1.00 19.59 H new ATOM 0 HA SER A 50 36.274 6.157 0.331 1.00 17.14 H new ATOM 0 HB2 SER A 50 33.893 6.857 -1.043 1.00 16.45 H new ATOM 0 HB3 SER A 50 35.324 7.391 -1.354 1.00 16.45 H new ATOM 0 HG SER A 50 34.725 5.864 -2.816 1.00 21.59 H new ATOM 332 N THR A 51 35.217 7.980 1.735 1.00 10.69 N ATOM 333 CA THR A 51 34.422 8.977 2.436 1.00 8.75 C ATOM 334 C THR A 51 33.378 9.566 1.504 1.00 8.20 C ATOM 335 O THR A 51 33.524 9.514 0.259 1.00 8.40 O ATOM 336 CB THR A 51 35.302 10.071 3.044 1.00 8.52 C ATOM 337 OG1 THR A 51 36.061 10.710 2.000 1.00 8.87 O ATOM 338 CG2 THR A 51 36.360 9.446 3.938 1.00 10.15 C ATOM 0 H THR A 51 36.052 8.161 1.634 1.00 10.69 H new ATOM 0 HA THR A 51 33.966 8.538 3.170 1.00 8.75 H new ATOM 0 HB THR A 51 34.721 10.683 3.523 1.00 8.52 H new ATOM 0 HG1 THR A 51 35.546 11.166 1.518 1.00 8.87 H new ATOM 0 HG21 THR A 51 36.914 10.144 4.320 1.00 10.15 H new ATOM 0 HG22 THR A 51 35.929 8.949 4.651 1.00 10.15 H new ATOM 0 HG23 THR A 51 36.913 8.845 3.414 1.00 10.15 H new ATOM 339 N GLY A 52 32.326 10.109 2.089 1.00 6.58 N ATOM 340 CA GLY A 52 31.250 10.748 1.349 1.00 6.53 C ATOM 341 C GLY A 52 29.892 10.379 1.954 1.00 7.50 C ATOM 342 O GLY A 52 29.787 9.805 3.070 1.00 7.63 O ATOM 0 H GLY A 52 32.213 10.118 2.942 1.00 6.58 H new ATOM 0 HA2 GLY A 52 31.366 11.711 1.364 1.00 6.53 H new ATOM 0 HA3 GLY A 52 31.282 10.473 0.419 1.00 6.53 H new ATOM 343 N ILE A 53 28.856 10.677 1.190 1.00 6.45 N ATOM 344 CA ILE A 53 27.488 10.501 1.642 1.00 6.59 C ATOM 345 C ILE A 53 26.908 9.310 0.898 1.00 6.20 C ATOM 346 O ILE A 53 27.005 9.219 -0.319 1.00 7.26 O ATOM 347 CB ILE A 53 26.623 11.787 1.385 1.00 7.35 C ATOM 348 CG1 ILE A 53 27.271 13.037 2.007 1.00 9.30 C ATOM 349 CG2 ILE A 53 25.244 11.594 1.944 1.00 9.50 C ATOM 350 CD1 ILE A 53 27.582 12.937 3.512 1.00 12.76 C ATOM 0 H ILE A 53 28.926 10.988 0.391 1.00 6.45 H new ATOM 0 HA ILE A 53 27.478 10.346 2.600 1.00 6.59 H new ATOM 0 HB ILE A 53 26.569 11.925 0.426 1.00 7.35 H new ATOM 0 HG12 ILE A 53 28.096 13.225 1.533 1.00 9.30 H new ATOM 0 HG13 ILE A 53 26.682 13.794 1.863 1.00 9.30 H new ATOM 0 HG21 ILE A 53 24.715 12.391 1.783 1.00 9.50 H new ATOM 0 HG22 ILE A 53 24.823 10.834 1.513 1.00 9.50 H new ATOM 0 HG23 ILE A 53 25.301 11.432 2.899 1.00 9.50 H new ATOM 0 HD11 ILE A 53 27.986 13.765 3.815 1.00 12.76 H new ATOM 0 HD12 ILE A 53 26.760 12.780 4.003 1.00 12.76 H new ATOM 0 HD13 ILE A 53 28.196 12.202 3.668 1.00 12.76 H new ATOM 351 N TYR A 54 26.309 8.392 1.646 1.00 6.42 N ATOM 352 CA TYR A 54 25.695 7.179 1.065 1.00 6.24 C ATOM 353 C TYR A 54 24.231 7.140 1.492 1.00 6.58 C ATOM 354 O TYR A 54 23.791 7.902 2.394 1.00 7.61 O ATOM 355 CB TYR A 54 26.393 5.935 1.639 1.00 6.14 C ATOM 356 CG TYR A 54 27.827 5.750 1.256 1.00 6.09 C ATOM 357 CD1 TYR A 54 28.850 6.499 1.867 1.00 7.06 C ATOM 358 CD2 TYR A 54 28.189 4.743 0.346 1.00 6.38 C ATOM 359 CE1 TYR A 54 30.202 6.290 1.536 1.00 6.61 C ATOM 360 CE2 TYR A 54 29.524 4.502 0.048 1.00 8.30 C ATOM 361 CZ TYR A 54 30.523 5.290 0.616 1.00 8.64 C ATOM 362 OH TYR A 54 31.830 5.026 0.244 1.00 12.44 O ATOM 0 H TYR A 54 26.242 8.445 2.502 1.00 6.42 H new ATOM 0 HA TYR A 54 25.779 7.192 0.099 1.00 6.24 H new ATOM 0 HB2 TYR A 54 26.338 5.973 2.607 1.00 6.14 H new ATOM 0 HB3 TYR A 54 25.898 5.150 1.357 1.00 6.14 H new ATOM 0 HD1 TYR A 54 28.629 7.143 2.500 1.00 7.06 H new ATOM 0 HD2 TYR A 54 27.527 4.232 -0.061 1.00 6.38 H new ATOM 0 HE1 TYR A 54 30.870 6.809 1.923 1.00 6.61 H new ATOM 0 HE2 TYR A 54 29.752 3.812 -0.533 1.00 8.30 H new ATOM 0 HH TYR A 54 32.353 5.495 0.704 1.00 12.44 H new ATOM 363 N TYR A 55 23.465 6.222 0.921 1.00 7.53 N ATOM 364 CA TYR A 55 22.050 6.073 1.283 1.00 7.63 C ATOM 365 C TYR A 55 21.715 4.597 1.379 1.00 7.81 C ATOM 366 O TYR A 55 22.443 3.737 0.883 1.00 7.54 O ATOM 367 CB TYR A 55 21.115 6.816 0.316 1.00 8.74 C ATOM 368 CG TYR A 55 21.256 6.409 -1.119 1.00 7.50 C ATOM 369 CD1 TYR A 55 22.223 6.984 -1.936 1.00 10.69 C ATOM 370 CD2 TYR A 55 20.467 5.390 -1.664 1.00 9.84 C ATOM 371 CE1 TYR A 55 22.367 6.594 -3.260 1.00 9.39 C ATOM 372 CE2 TYR A 55 20.606 4.996 -2.968 1.00 11.48 C ATOM 373 CZ TYR A 55 21.556 5.601 -3.767 1.00 10.43 C ATOM 374 OH TYR A 55 21.663 5.192 -5.057 1.00 13.71 O ATOM 0 H TYR A 55 23.740 5.671 0.320 1.00 7.53 H new ATOM 0 HA TYR A 55 21.907 6.487 2.149 1.00 7.63 H new ATOM 0 HB2 TYR A 55 20.197 6.668 0.594 1.00 8.74 H new ATOM 0 HB3 TYR A 55 21.284 7.768 0.388 1.00 8.74 H new ATOM 0 HD1 TYR A 55 22.783 7.641 -1.589 1.00 10.69 H new ATOM 0 HD2 TYR A 55 19.833 4.970 -1.128 1.00 9.84 H new ATOM 0 HE1 TYR A 55 23.006 6.999 -3.801 1.00 9.39 H new ATOM 0 HE2 TYR A 55 20.063 4.324 -3.314 1.00 11.48 H new ATOM 0 HH TYR A 55 21.910 5.836 -5.536 1.00 13.71 H new ATOM 375 N GLY A 56 20.643 4.289 2.073 1.00 7.14 N ATOM 376 CA GLY A 56 20.345 2.898 2.311 1.00 7.74 C ATOM 377 C GLY A 56 19.128 2.751 3.202 1.00 7.82 C ATOM 378 O GLY A 56 18.259 3.641 3.248 1.00 6.79 O ATOM 0 H GLY A 56 20.087 4.853 2.408 1.00 7.14 H new ATOM 0 HA2 GLY A 56 20.188 2.448 1.466 1.00 7.74 H new ATOM 0 HA3 GLY A 56 21.108 2.466 2.726 1.00 7.74 H new ATOM 379 N TRP A 57 19.127 1.652 3.950 1.00 6.88 N ATOM 380 CA TRP A 57 17.977 1.284 4.789 1.00 6.51 C ATOM 381 C TRP A 57 18.469 1.061 6.192 1.00 6.93 C ATOM 382 O TRP A 57 19.620 0.635 6.412 1.00 6.79 O ATOM 383 CB TRP A 57 17.313 -0.012 4.281 1.00 5.93 C ATOM 384 CG TRP A 57 16.760 0.122 2.885 1.00 6.63 C ATOM 385 CD1 TRP A 57 17.327 -0.312 1.717 1.00 6.02 C ATOM 386 CD2 TRP A 57 15.530 0.745 2.526 1.00 6.26 C ATOM 387 NE1 TRP A 57 16.526 0.033 0.652 1.00 5.74 N ATOM 388 CE2 TRP A 57 15.401 0.651 1.123 1.00 6.35 C ATOM 389 CE3 TRP A 57 14.505 1.363 3.259 1.00 8.32 C ATOM 390 CZ2 TRP A 57 14.295 1.180 0.419 1.00 6.42 C ATOM 391 CZ3 TRP A 57 13.412 1.891 2.562 1.00 8.76 C ATOM 392 CH2 TRP A 57 13.304 1.762 1.156 1.00 8.42 C ATOM 0 H TRP A 57 19.785 1.099 3.989 1.00 6.88 H new ATOM 0 HA TRP A 57 17.321 1.998 4.757 1.00 6.51 H new ATOM 0 HB2 TRP A 57 17.963 -0.732 4.299 1.00 5.93 H new ATOM 0 HB3 TRP A 57 16.597 -0.262 4.885 1.00 5.93 H new ATOM 0 HD1 TRP A 57 18.133 -0.771 1.653 1.00 6.02 H new ATOM 0 HE1 TRP A 57 16.704 -0.116 -0.176 1.00 5.74 H new ATOM 0 HE3 TRP A 57 14.551 1.420 4.186 1.00 8.32 H new ATOM 0 HZ2 TRP A 57 14.245 1.133 -0.508 1.00 6.42 H new ATOM 0 HZ3 TRP A 57 12.743 2.335 3.032 1.00 8.76 H new ATOM 0 HH2 TRP A 57 12.543 2.080 0.726 1.00 8.42 H new ATOM 393 N ALA A 58 17.610 1.356 7.161 1.00 6.81 N ATOM 394 CA ALA A 58 17.990 1.166 8.572 1.00 7.84 C ATOM 395 C ALA A 58 16.805 0.758 9.396 1.00 7.33 C ATOM 396 O ALA A 58 15.698 1.217 9.153 1.00 7.88 O ATOM 397 CB ALA A 58 18.590 2.486 9.162 1.00 7.36 C ATOM 0 H ALA A 58 16.816 1.662 7.035 1.00 6.81 H new ATOM 0 HA ALA A 58 18.657 0.463 8.603 1.00 7.84 H new ATOM 0 HB1 ALA A 58 18.835 2.344 10.090 1.00 7.36 H new ATOM 0 HB2 ALA A 58 19.378 2.738 8.655 1.00 7.36 H new ATOM 0 HB3 ALA A 58 17.930 3.195 9.107 1.00 7.36 H new ATOM 398 N SER A 59 17.057 -0.026 10.443 1.00 7.42 N ATOM 399 CA SER A 59 16.034 -0.272 11.446 1.00 6.63 C ATOM 400 C SER A 59 16.721 -0.195 12.820 1.00 7.77 C ATOM 401 O SER A 59 17.942 -0.407 12.925 1.00 6.68 O ATOM 402 CB SER A 59 15.392 -1.647 11.223 1.00 7.04 C ATOM 403 OG SER A 59 16.321 -2.711 11.481 1.00 6.37 O ATOM 0 H SER A 59 17.808 -0.420 10.587 1.00 7.42 H new ATOM 0 HA SER A 59 15.323 0.386 11.390 1.00 6.63 H new ATOM 0 HB2 SER A 59 14.620 -1.743 11.803 1.00 7.04 H new ATOM 0 HB3 SER A 59 15.071 -1.711 10.310 1.00 7.04 H new ATOM 0 HG SER A 59 16.660 -2.969 10.757 1.00 6.37 H new ATOM 404 N VAL A 60 15.924 0.082 13.853 1.00 8.31 N ATOM 405 CA VAL A 60 16.415 0.124 15.237 1.00 10.50 C ATOM 406 C VAL A 60 15.775 -1.006 16.046 1.00 11.50 C ATOM 407 O VAL A 60 14.520 -1.152 16.086 1.00 10.78 O ATOM 408 CB VAL A 60 16.095 1.507 15.897 1.00 10.58 C ATOM 409 CG1 VAL A 60 16.555 1.533 17.386 1.00 12.02 C ATOM 410 CG2 VAL A 60 16.791 2.604 15.128 1.00 12.58 C ATOM 0 H VAL A 60 15.084 0.251 13.774 1.00 8.31 H new ATOM 0 HA VAL A 60 17.378 0.007 15.229 1.00 10.50 H new ATOM 0 HB VAL A 60 15.135 1.647 15.873 1.00 10.58 H new ATOM 0 HG11 VAL A 60 16.347 2.397 17.774 1.00 12.02 H new ATOM 0 HG12 VAL A 60 16.093 0.838 17.880 1.00 12.02 H new ATOM 0 HG13 VAL A 60 17.512 1.380 17.432 1.00 12.02 H new ATOM 0 HG21 VAL A 60 16.593 3.461 15.536 1.00 12.58 H new ATOM 0 HG22 VAL A 60 17.749 2.452 15.143 1.00 12.58 H new ATOM 0 HG23 VAL A 60 16.479 2.604 14.210 1.00 12.58 H new ATOM 411 N GLY A 61 16.634 -1.819 16.668 1.00 12.08 N ATOM 412 CA GLY A 61 16.187 -3.012 17.400 1.00 13.83 C ATOM 413 C GLY A 61 15.256 -3.830 16.515 1.00 14.22 C ATOM 414 O GLY A 61 15.610 -4.191 15.391 1.00 15.22 O ATOM 0 H GLY A 61 17.485 -1.697 16.678 1.00 12.08 H new ATOM 0 HA2 GLY A 61 16.952 -3.547 17.664 1.00 13.83 H new ATOM 0 HA3 GLY A 61 15.729 -2.751 18.214 1.00 13.83 H new ATOM 415 N SER A 62 14.040 -4.055 16.984 1.00 15.39 N ATOM 416 CA SER A 62 13.083 -4.900 16.271 1.00 15.62 C ATOM 417 C SER A 62 12.099 -4.086 15.424 1.00 15.43 C ATOM 418 O SER A 62 11.117 -4.639 14.909 1.00 15.34 O ATOM 419 CB SER A 62 12.330 -5.820 17.260 1.00 16.56 C ATOM 420 OG SER A 62 11.611 -5.045 18.214 1.00 19.05 O ATOM 0 H SER A 62 13.742 -3.726 17.721 1.00 15.39 H new ATOM 0 HA SER A 62 13.592 -5.451 15.656 1.00 15.62 H new ATOM 0 HB2 SER A 62 11.717 -6.394 16.774 1.00 16.56 H new ATOM 0 HB3 SER A 62 12.961 -6.399 17.715 1.00 16.56 H new ATOM 0 HG SER A 62 11.206 -5.557 18.743 1.00 19.05 H new ATOM 421 N GLY A 63 12.391 -2.790 15.267 1.00 13.78 N ATOM 422 CA GLY A 63 11.540 -1.844 14.550 1.00 12.10 C ATOM 423 C GLY A 63 11.484 -2.032 13.044 1.00 11.58 C ATOM 424 O GLY A 63 12.163 -2.875 12.470 1.00 11.62 O ATOM 0 H GLY A 63 13.106 -2.432 15.583 1.00 13.78 H new ATOM 0 HA2 GLY A 63 10.639 -1.911 14.903 1.00 12.10 H new ATOM 0 HA3 GLY A 63 11.852 -0.945 14.737 1.00 12.10 H new ATOM 425 N ASP A 64 10.650 -1.230 12.394 1.00 10.29 N ATOM 426 CA ASP A 64 10.485 -1.295 10.947 1.00 9.81 C ATOM 427 C ASP A 64 11.690 -0.695 10.228 1.00 8.51 C ATOM 428 O ASP A 64 12.508 0.009 10.858 1.00 9.60 O ATOM 429 CB ASP A 64 9.214 -0.550 10.554 1.00 10.46 C ATOM 430 CG ASP A 64 7.943 -1.308 10.912 1.00 13.95 C ATOM 431 OD1 ASP A 64 7.976 -2.525 11.201 1.00 16.47 O ATOM 432 OD2 ASP A 64 6.838 -0.734 10.911 1.00 19.58 O ATOM 0 H ASP A 64 10.164 -0.633 12.778 1.00 10.29 H new ATOM 0 HA ASP A 64 10.415 -2.226 10.682 1.00 9.81 H new ATOM 0 HB2 ASP A 64 9.203 0.315 10.994 1.00 10.46 H new ATOM 0 HB3 ASP A 64 9.226 -0.382 9.599 1.00 10.46 H new ATOM 433 N VAL A 65 11.800 -1.022 8.933 1.00 6.92 N ATOM 434 CA VAL A 65 12.898 -0.578 8.083 1.00 6.67 C ATOM 435 C VAL A 65 12.536 0.758 7.433 1.00 6.23 C ATOM 436 O VAL A 65 11.479 0.895 6.805 1.00 5.83 O ATOM 437 CB VAL A 65 13.266 -1.635 7.001 1.00 7.07 C ATOM 438 CG1 VAL A 65 14.493 -1.168 6.202 1.00 8.63 C ATOM 439 CG2 VAL A 65 13.543 -3.025 7.692 1.00 7.90 C ATOM 0 H VAL A 65 11.227 -1.516 8.524 1.00 6.92 H new ATOM 0 HA VAL A 65 13.682 -0.464 8.642 1.00 6.67 H new ATOM 0 HB VAL A 65 12.524 -1.737 6.384 1.00 7.07 H new ATOM 0 HG11 VAL A 65 14.714 -1.832 5.531 1.00 8.63 H new ATOM 0 HG12 VAL A 65 14.294 -0.324 5.767 1.00 8.63 H new ATOM 0 HG13 VAL A 65 15.246 -1.052 6.803 1.00 8.63 H new ATOM 0 HG21 VAL A 65 13.772 -3.682 7.017 1.00 7.90 H new ATOM 0 HG22 VAL A 65 14.279 -2.935 8.317 1.00 7.90 H new ATOM 0 HG23 VAL A 65 12.749 -3.314 8.168 1.00 7.90 H new ATOM 440 N HIS A 66 13.431 1.733 7.586 1.00 6.78 N ATOM 441 CA HIS A 66 13.218 3.085 7.051 1.00 7.00 C ATOM 442 C HIS A 66 14.388 3.507 6.166 1.00 6.39 C ATOM 443 O HIS A 66 15.492 2.928 6.242 1.00 8.26 O ATOM 444 CB HIS A 66 13.099 4.089 8.204 1.00 7.92 C ATOM 445 CG HIS A 66 12.040 3.730 9.204 1.00 9.98 C ATOM 446 ND1 HIS A 66 10.698 3.847 8.937 1.00 11.58 N ATOM 447 CD2 HIS A 66 12.131 3.267 10.469 1.00 10.35 C ATOM 448 CE1 HIS A 66 9.998 3.462 9.991 1.00 10.60 C ATOM 449 NE2 HIS A 66 10.843 3.099 10.932 1.00 11.89 N ATOM 0 H HIS A 66 14.178 1.633 8.001 1.00 6.78 H new ATOM 0 HA HIS A 66 12.402 3.074 6.526 1.00 7.00 H new ATOM 0 HB2 HIS A 66 13.954 4.152 8.658 1.00 7.92 H new ATOM 0 HB3 HIS A 66 12.906 4.967 7.840 1.00 7.92 H new ATOM 0 HD2 HIS A 66 12.914 3.094 10.939 1.00 10.35 H new ATOM 0 HE1 HIS A 66 9.070 3.450 10.056 1.00 10.60 H new ATOM 0 HE2 HIS A 66 10.627 2.804 11.711 1.00 11.89 H new ATOM 450 N LYS A 67 14.163 4.533 5.347 1.00 6.35 N ATOM 451 CA LYS A 67 15.210 5.091 4.510 1.00 6.30 C ATOM 452 C LYS A 67 16.211 5.819 5.396 1.00 5.80 C ATOM 453 O LYS A 67 15.849 6.276 6.490 1.00 6.66 O ATOM 454 CB LYS A 67 14.606 6.037 3.464 1.00 5.28 C ATOM 455 CG LYS A 67 13.598 5.346 2.557 1.00 5.72 C ATOM 456 CD LYS A 67 13.148 6.303 1.429 1.00 5.88 C ATOM 457 CE LYS A 67 12.254 5.577 0.407 1.00 5.03 C ATOM 458 NZ LYS A 67 11.659 6.545 -0.643 1.00 5.84 N ATOM 0 H LYS A 67 13.400 4.921 5.264 1.00 6.35 H new ATOM 0 HA LYS A 67 15.667 4.381 4.033 1.00 6.30 H new ATOM 0 HB2 LYS A 67 14.173 6.778 3.916 1.00 5.28 H new ATOM 0 HB3 LYS A 67 15.319 6.411 2.923 1.00 5.28 H new ATOM 0 HG2 LYS A 67 13.993 4.547 2.174 1.00 5.72 H new ATOM 0 HG3 LYS A 67 12.829 5.062 3.075 1.00 5.72 H new ATOM 0 HD2 LYS A 67 12.665 7.052 1.811 1.00 5.88 H new ATOM 0 HD3 LYS A 67 13.927 6.667 0.980 1.00 5.88 H new ATOM 0 HE2 LYS A 67 12.772 4.892 -0.044 1.00 5.03 H new ATOM 0 HE3 LYS A 67 11.533 5.126 0.874 1.00 5.03 H new ATOM 0 HZ1 LYS A 67 11.150 6.089 -1.213 1.00 5.84 H new ATOM 0 HZ2 LYS A 67 11.165 7.161 -0.233 1.00 5.84 H new ATOM 0 HZ3 LYS A 67 12.319 6.943 -1.088 1.00 5.84 H new ATOM 459 N MET A 68 17.461 5.921 4.945 1.00 6.41 N ATOM 460 CA MET A 68 18.461 6.608 5.749 1.00 7.13 C ATOM 461 C MET A 68 19.570 7.129 4.831 1.00 7.70 C ATOM 462 O MET A 68 19.685 6.708 3.653 1.00 7.08 O ATOM 463 CB MET A 68 19.031 5.700 6.845 1.00 6.89 C ATOM 464 CG MET A 68 19.703 4.409 6.310 1.00 6.66 C ATOM 465 SD MET A 68 21.289 4.720 5.539 1.00 11.38 S ATOM 466 CE MET A 68 22.120 3.124 5.822 1.00 9.61 C ATOM 0 H MET A 68 17.742 5.607 4.195 1.00 6.41 H new ATOM 0 HA MET A 68 18.039 7.356 6.200 1.00 7.13 H new ATOM 0 HB2 MET A 68 19.681 6.201 7.362 1.00 6.89 H new ATOM 0 HB3 MET A 68 18.316 5.453 7.452 1.00 6.89 H new ATOM 0 HG2 MET A 68 19.821 3.784 7.042 1.00 6.66 H new ATOM 0 HG3 MET A 68 19.113 3.985 5.667 1.00 6.66 H new ATOM 0 HE1 MET A 68 22.715 2.933 5.080 1.00 9.61 H new ATOM 0 HE2 MET A 68 22.632 3.167 6.645 1.00 9.61 H new ATOM 0 HE3 MET A 68 21.455 2.421 5.892 1.00 9.61 H new ATOM 467 N VAL A 69 20.311 8.101 5.350 1.00 6.69 N ATOM 468 CA VAL A 69 21.567 8.524 4.730 1.00 7.22 C ATOM 469 C VAL A 69 22.693 8.315 5.753 1.00 7.29 C ATOM 470 O VAL A 69 22.496 8.473 6.976 1.00 7.41 O ATOM 471 CB VAL A 69 21.571 9.983 4.290 1.00 7.88 C ATOM 472 CG1 VAL A 69 20.609 10.179 3.101 1.00 10.05 C ATOM 473 CG2 VAL A 69 21.165 10.872 5.405 1.00 10.96 C ATOM 0 H VAL A 69 20.105 8.532 6.065 1.00 6.69 H new ATOM 0 HA VAL A 69 21.690 7.992 3.928 1.00 7.22 H new ATOM 0 HB VAL A 69 22.473 10.214 4.020 1.00 7.88 H new ATOM 0 HG11 VAL A 69 20.618 11.110 2.828 1.00 10.05 H new ATOM 0 HG12 VAL A 69 20.893 9.622 2.359 1.00 10.05 H new ATOM 0 HG13 VAL A 69 19.710 9.929 3.367 1.00 10.05 H new ATOM 0 HG21 VAL A 69 21.174 11.794 5.104 1.00 10.96 H new ATOM 0 HG22 VAL A 69 20.270 10.637 5.697 1.00 10.96 H new ATOM 0 HG23 VAL A 69 21.784 10.768 6.144 1.00 10.96 H new ATOM 474 N VAL A 70 23.851 7.947 5.256 1.00 6.98 N ATOM 475 CA VAL A 70 25.010 7.740 6.131 1.00 7.89 C ATOM 476 C VAL A 70 26.112 8.592 5.614 1.00 8.01 C ATOM 477 O VAL A 70 26.371 8.581 4.408 1.00 8.84 O ATOM 478 CB VAL A 70 25.526 6.270 6.084 1.00 9.28 C ATOM 479 CG1 VAL A 70 26.850 6.167 6.912 1.00 11.89 C ATOM 480 CG2 VAL A 70 24.511 5.315 6.663 1.00 11.59 C ATOM 0 H VAL A 70 24.000 7.809 4.420 1.00 6.98 H new ATOM 0 HA VAL A 70 24.746 7.953 7.040 1.00 7.89 H new ATOM 0 HB VAL A 70 25.681 6.030 5.157 1.00 9.28 H new ATOM 0 HG11 VAL A 70 27.177 5.254 6.887 1.00 11.89 H new ATOM 0 HG12 VAL A 70 27.517 6.760 6.531 1.00 11.89 H new ATOM 0 HG13 VAL A 70 26.678 6.423 7.831 1.00 11.89 H new ATOM 0 HG21 VAL A 70 24.857 4.410 6.621 1.00 11.59 H new ATOM 0 HG22 VAL A 70 24.335 5.551 7.587 1.00 11.59 H new ATOM 0 HG23 VAL A 70 23.688 5.370 6.153 1.00 11.59 H new ATOM 481 N SER A 71 26.796 9.282 6.522 1.00 7.47 N ATOM 482 CA SER A 71 27.996 10.033 6.192 1.00 8.36 C ATOM 483 C SER A 71 29.229 9.279 6.681 1.00 8.36 C ATOM 484 O SER A 71 29.335 8.947 7.875 1.00 8.23 O ATOM 485 CB SER A 71 27.916 11.400 6.860 1.00 10.46 C ATOM 486 OG SER A 71 29.053 12.159 6.521 1.00 17.77 O ATOM 0 H SER A 71 26.573 9.326 7.351 1.00 7.47 H new ATOM 0 HA SER A 71 28.064 10.144 5.231 1.00 8.36 H new ATOM 0 HB2 SER A 71 27.111 11.862 6.577 1.00 10.46 H new ATOM 0 HB3 SER A 71 27.860 11.297 7.823 1.00 10.46 H new ATOM 0 HG SER A 71 29.007 12.913 6.889 1.00 17.77 H new ATOM 487 N ILE A 72 30.160 9.001 5.779 1.00 6.82 N ATOM 488 CA ILE A 72 31.463 8.397 6.175 1.00 8.21 C ATOM 489 C ILE A 72 32.519 9.462 6.007 1.00 7.16 C ATOM 490 O ILE A 72 32.631 10.072 4.928 1.00 7.43 O ATOM 491 CB ILE A 72 31.788 7.167 5.307 1.00 7.90 C ATOM 492 CG1AILE A 72 30.711 6.091 5.569 0.50 8.23 C ATOM 493 CG1BILE A 72 30.623 6.158 5.327 0.50 9.23 C ATOM 494 CG2 ILE A 72 33.180 6.618 5.663 1.00 9.23 C ATOM 495 CD1AILE A 72 30.891 4.749 4.822 0.50 6.29 C ATOM 496 CD1BILE A 72 30.519 5.329 6.570 0.50 9.96 C ATOM 0 H ILE A 72 30.074 9.147 4.936 1.00 6.82 H new ATOM 0 HA ILE A 72 31.428 8.091 7.095 1.00 8.21 H new ATOM 0 HB AILE A 72 31.791 7.415 4.369 0.50 7.90 H new ATOM 0 HB BILE A 72 31.860 7.413 4.372 0.50 7.90 H new ATOM 0 HG12AILE A 72 30.687 5.909 6.521 0.50 9.23 H new ATOM 0 HG12BILE A 72 29.792 6.643 5.209 0.50 9.23 H new ATOM 0 HG13AILE A 72 29.847 6.460 5.329 0.50 9.23 H new ATOM 0 HG13BILE A 72 30.715 5.564 4.566 0.50 9.23 H new ATOM 0 HG21 ILE A 72 33.374 5.844 5.111 1.00 9.23 H new ATOM 0 HG22 ILE A 72 33.848 7.303 5.505 1.00 9.23 H new ATOM 0 HG23 ILE A 72 33.197 6.360 6.598 1.00 9.23 H new ATOM 0 HD11AILE A 72 30.166 4.149 5.056 0.50 9.96 H new ATOM 0 HD11BILE A 72 29.763 4.726 6.495 0.50 9.96 H new ATOM 0 HD12AILE A 72 30.883 4.908 3.865 0.50 9.96 H new ATOM 0 HD12BILE A 72 31.333 4.813 6.684 0.50 9.96 H new ATOM 0 HD13AILE A 72 31.737 4.348 5.076 0.50 9.96 H new ATOM 0 HD13BILE A 72 30.394 5.910 7.337 0.50 9.96 H new ATOM 497 N GLY A 73 33.261 9.733 7.070 1.00 6.83 N ATOM 498 CA GLY A 73 34.215 10.814 7.041 1.00 7.22 C ATOM 499 C GLY A 73 35.512 10.403 7.676 1.00 6.77 C ATOM 500 O GLY A 73 35.682 9.236 8.037 1.00 7.18 O ATOM 0 H GLY A 73 33.224 9.302 7.813 1.00 6.83 H new ATOM 0 HA2 GLY A 73 34.372 11.087 6.124 1.00 7.22 H new ATOM 0 HA3 GLY A 73 33.852 11.583 7.507 1.00 7.22 H new ATOM 501 N TRP A 74 36.453 11.341 7.770 1.00 7.51 N ATOM 502 CA TRP A 74 37.704 11.084 8.467 1.00 9.14 C ATOM 503 C TRP A 74 37.529 11.581 9.897 1.00 12.01 C ATOM 504 O TRP A 74 36.897 12.618 10.127 1.00 12.64 O ATOM 505 CB TRP A 74 38.864 11.798 7.808 1.00 9.25 C ATOM 506 CG TRP A 74 39.166 11.254 6.453 1.00 8.43 C ATOM 507 CD1 TRP A 74 38.925 11.867 5.245 1.00 11.10 C ATOM 508 CD2 TRP A 74 39.747 9.996 6.158 1.00 9.76 C ATOM 509 NE1 TRP A 74 39.333 11.050 4.218 1.00 10.75 N ATOM 510 CE2 TRP A 74 39.840 9.894 4.746 1.00 11.92 C ATOM 511 CE3 TRP A 74 40.222 8.932 6.942 1.00 10.02 C ATOM 512 CZ2 TRP A 74 40.386 8.776 4.110 1.00 13.28 C ATOM 513 CZ3 TRP A 74 40.766 7.815 6.307 1.00 13.66 C ATOM 514 CH2 TRP A 74 40.846 7.750 4.899 1.00 13.53 C ATOM 0 H TRP A 74 36.384 12.131 7.436 1.00 7.51 H new ATOM 0 HA TRP A 74 37.906 10.136 8.444 1.00 9.14 H new ATOM 0 HB2 TRP A 74 38.661 12.744 7.737 1.00 9.25 H new ATOM 0 HB3 TRP A 74 39.651 11.718 8.369 1.00 9.25 H new ATOM 0 HD1 TRP A 74 38.543 12.708 5.139 1.00 11.10 H new ATOM 0 HE1 TRP A 74 39.279 11.235 3.380 1.00 10.75 H new ATOM 0 HE3 TRP A 74 40.175 8.971 7.870 1.00 10.02 H new ATOM 0 HZ2 TRP A 74 40.436 8.728 3.183 1.00 13.28 H new ATOM 0 HZ3 TRP A 74 41.080 7.104 6.818 1.00 13.66 H new ATOM 0 HH2 TRP A 74 41.217 6.998 4.498 1.00 13.53 H new ATOM 515 N ASN A 75 38.036 10.796 10.835 1.00 13.71 N ATOM 516 CA ASN A 75 38.094 11.229 12.230 1.00 16.36 C ATOM 517 C ASN A 75 39.396 11.978 12.491 1.00 17.25 C ATOM 518 O ASN A 75 40.487 11.372 12.440 1.00 18.02 O ATOM 519 CB ASN A 75 37.989 10.032 13.182 1.00 16.41 C ATOM 520 CG ASN A 75 37.750 10.458 14.629 1.00 19.11 C ATOM 521 OD1 ASN A 75 38.082 11.568 15.023 1.00 21.76 O ATOM 522 ND2 ASN A 75 37.155 9.568 15.413 1.00 19.94 N ATOM 0 H ASN A 75 38.352 10.010 10.689 1.00 13.71 H new ATOM 0 HA ASN A 75 37.342 11.820 12.393 1.00 16.36 H new ATOM 0 HB2 ASN A 75 37.265 9.455 12.893 1.00 16.41 H new ATOM 0 HB3 ASN A 75 38.805 9.510 13.132 1.00 16.41 H new ATOM 0 HD21 ASN A 75 36.988 9.762 16.234 1.00 19.94 H new ATOM 0 HD22 ASN A 75 36.936 8.797 15.100 1.00 19.94 H new ATOM 523 N PRO A 76 39.285 13.270 12.801 1.00 18.01 N ATOM 524 CA PRO A 76 40.460 14.070 13.225 1.00 20.07 C ATOM 525 C PRO A 76 41.216 13.534 14.486 1.00 21.74 C ATOM 526 O PRO A 76 42.437 13.680 14.633 1.00 22.98 O ATOM 527 CB PRO A 76 39.853 15.465 13.496 1.00 19.55 C ATOM 528 CG PRO A 76 38.526 15.486 12.694 1.00 19.26 C ATOM 529 CD PRO A 76 38.034 14.063 12.766 1.00 17.75 C ATOM 0 HA PRO A 76 41.149 14.049 12.542 1.00 20.07 H new ATOM 0 HB2 PRO A 76 39.693 15.601 14.443 1.00 19.55 H new ATOM 0 HB3 PRO A 76 40.451 16.171 13.205 1.00 19.55 H new ATOM 0 HG2 PRO A 76 37.886 16.103 13.082 1.00 19.26 H new ATOM 0 HG3 PRO A 76 38.670 15.766 11.777 1.00 19.26 H new ATOM 0 HD2 PRO A 76 37.492 13.911 13.556 1.00 17.75 H new ATOM 0 HD3 PRO A 76 37.487 13.834 11.998 1.00 17.75 H new ATOM 530 N TYR A 77 40.493 12.866 15.367 1.00 23.65 N ATOM 531 CA TYR A 77 40.930 12.703 16.755 1.00 24.62 C ATOM 532 C TYR A 77 41.592 11.374 17.157 1.00 25.59 C ATOM 533 O TYR A 77 42.136 11.287 18.262 1.00 26.04 O ATOM 534 CB TYR A 77 39.767 12.988 17.719 1.00 24.46 C ATOM 535 CG TYR A 77 38.964 14.259 17.489 1.00 23.96 C ATOM 536 CD1 TYR A 77 39.529 15.523 17.649 1.00 24.60 C ATOM 537 CD2 TYR A 77 37.614 14.183 17.162 1.00 25.94 C ATOM 538 CE1 TYR A 77 38.765 16.668 17.465 1.00 24.51 C ATOM 539 CE2 TYR A 77 36.849 15.311 16.983 1.00 23.87 C ATOM 540 CZ TYR A 77 37.418 16.541 17.134 1.00 24.67 C ATOM 541 OH TYR A 77 36.617 17.643 16.929 1.00 26.50 O ATOM 0 H TYR A 77 39.739 12.494 15.186 1.00 23.65 H new ATOM 0 HA TYR A 77 41.646 13.354 16.823 1.00 24.62 H new ATOM 0 HB2 TYR A 77 39.155 12.236 17.682 1.00 24.46 H new ATOM 0 HB3 TYR A 77 40.125 13.018 18.620 1.00 24.46 H new ATOM 0 HD1 TYR A 77 40.426 15.600 17.881 1.00 24.60 H new ATOM 0 HD2 TYR A 77 37.219 13.347 17.062 1.00 25.94 H new ATOM 0 HE1 TYR A 77 39.148 17.510 17.562 1.00 24.51 H new ATOM 0 HE2 TYR A 77 35.949 15.236 16.760 1.00 23.87 H new ATOM 0 HH TYR A 77 35.838 17.392 16.738 1.00 26.50 H new ATOM 542 N TYR A 78 41.549 10.334 16.326 1.00 25.91 N ATOM 543 CA TYR A 78 42.247 9.106 16.729 1.00 27.15 C ATOM 544 C TYR A 78 43.575 8.963 16.006 1.00 28.00 C ATOM 545 O TYR A 78 43.717 9.460 14.884 1.00 28.39 O ATOM 546 CB TYR A 78 41.421 7.849 16.478 1.00 27.49 C ATOM 547 CG TYR A 78 40.093 7.776 17.201 1.00 27.85 C ATOM 548 CD1 TYR A 78 39.872 8.476 18.401 1.00 28.32 C ATOM 549 CD2 TYR A 78 39.052 6.989 16.679 1.00 28.36 C ATOM 550 CE1 TYR A 78 38.636 8.388 19.054 1.00 28.93 C ATOM 551 CE2 TYR A 78 37.824 6.891 17.326 1.00 28.56 C ATOM 552 CZ TYR A 78 37.621 7.593 18.514 1.00 27.33 C ATOM 553 OH TYR A 78 36.401 7.500 19.132 1.00 27.12 O ATOM 0 H TYR A 78 41.147 10.311 15.566 1.00 25.91 H new ATOM 0 HA TYR A 78 42.396 9.192 17.684 1.00 27.15 H new ATOM 0 HB2 TYR A 78 41.255 7.777 15.525 1.00 27.49 H new ATOM 0 HB3 TYR A 78 41.951 7.078 16.733 1.00 27.49 H new ATOM 0 HD1 TYR A 78 40.550 9.000 18.763 1.00 28.32 H new ATOM 0 HD2 TYR A 78 39.187 6.524 15.885 1.00 28.36 H new ATOM 0 HE1 TYR A 78 38.491 8.857 19.844 1.00 28.93 H new ATOM 0 HE2 TYR A 78 37.146 6.363 16.970 1.00 28.56 H new ATOM 0 HH TYR A 78 35.901 6.990 18.690 1.00 27.12 H new ATOM 554 N LYS A 79 44.543 8.284 16.634 1.00 28.68 N ATOM 555 CA LYS A 79 45.798 7.998 15.938 1.00 29.36 C ATOM 556 C LYS A 79 45.536 7.035 14.778 1.00 29.64 C ATOM 557 O LYS A 79 44.539 6.285 14.775 1.00 29.42 O ATOM 558 CB LYS A 79 46.954 7.550 16.856 1.00 29.51 C ATOM 559 CG LYS A 79 46.615 6.591 17.979 1.00 29.67 C ATOM 560 CD LYS A 79 47.881 6.245 18.758 1.00 29.44 C ATOM 561 CE LYS A 79 47.802 4.838 19.336 1.00 30.05 C ATOM 562 NZ LYS A 79 49.131 4.168 19.360 1.00 29.21 N ATOM 0 H LYS A 79 44.494 7.989 17.440 1.00 28.68 H new ATOM 0 HA LYS A 79 46.122 8.837 15.576 1.00 29.36 H new ATOM 0 HB2 LYS A 79 47.634 7.136 16.302 1.00 29.51 H new ATOM 0 HB3 LYS A 79 47.351 8.343 17.248 1.00 29.51 H new ATOM 0 HG2 LYS A 79 45.959 6.991 18.571 1.00 29.67 H new ATOM 0 HG3 LYS A 79 46.216 5.784 17.618 1.00 29.67 H new ATOM 0 HD2 LYS A 79 48.653 6.315 18.174 1.00 29.44 H new ATOM 0 HD3 LYS A 79 48.008 6.886 19.475 1.00 29.44 H new ATOM 0 HE2 LYS A 79 47.445 4.879 20.237 1.00 30.05 H new ATOM 0 HE3 LYS A 79 47.183 4.308 18.810 1.00 30.05 H new ATOM 0 HZ1 LYS A 79 49.046 3.351 19.703 1.00 29.21 H new ATOM 0 HZ2 LYS A 79 49.449 4.110 18.531 1.00 29.21 H new ATOM 0 HZ3 LYS A 79 49.694 4.642 19.861 1.00 29.21 H new ATOM 563 N ASN A 80 46.419 7.103 13.781 1.00 30.00 N ATOM 564 CA ASN A 80 46.200 6.481 12.478 1.00 29.87 C ATOM 565 C ASN A 80 45.039 7.178 11.733 1.00 29.25 C ATOM 566 O ASN A 80 44.409 8.107 12.268 1.00 29.76 O ATOM 567 CB ASN A 80 46.058 4.951 12.623 1.00 30.23 C ATOM 568 CG ASN A 80 47.006 4.374 13.690 1.00 31.39 C ATOM 569 OD1 ASN A 80 48.206 4.688 13.723 1.00 32.31 O ATOM 570 ND2 ASN A 80 46.463 3.544 14.574 1.00 33.51 N ATOM 0 H ASN A 80 47.170 7.517 13.845 1.00 30.00 H new ATOM 0 HA ASN A 80 46.978 6.609 11.912 1.00 29.87 H new ATOM 0 HB2 ASN A 80 45.142 4.734 12.856 1.00 30.23 H new ATOM 0 HB3 ASN A 80 46.241 4.529 11.769 1.00 30.23 H new ATOM 0 HD21 ASN A 80 46.947 3.203 15.198 1.00 33.51 H new ATOM 0 HD22 ASN A 80 45.627 3.347 14.522 1.00 33.51 H new ATOM 571 N THR A 81 44.782 6.784 10.491 1.00 28.09 N ATOM 572 CA THR A 81 43.753 7.456 9.695 1.00 26.31 C ATOM 573 C THR A 81 42.435 6.736 9.919 1.00 24.22 C ATOM 574 O THR A 81 42.079 5.838 9.145 1.00 25.22 O ATOM 575 CB THR A 81 44.094 7.433 8.185 1.00 26.56 C ATOM 576 OG1 THR A 81 44.818 6.235 7.877 1.00 27.82 O ATOM 577 CG2 THR A 81 45.073 8.548 7.831 1.00 27.94 C ATOM 0 H THR A 81 45.185 6.138 10.091 1.00 28.09 H new ATOM 0 HA THR A 81 43.699 8.384 9.973 1.00 26.31 H new ATOM 0 HB THR A 81 43.254 7.515 7.706 1.00 26.56 H new ATOM 0 HG1 THR A 81 45.002 6.221 7.057 1.00 27.82 H new ATOM 0 HG21 THR A 81 45.272 8.515 6.882 1.00 27.94 H new ATOM 0 HG22 THR A 81 44.678 9.407 8.048 1.00 27.94 H new ATOM 0 HG23 THR A 81 45.892 8.432 8.337 1.00 27.94 H new ATOM 578 N LYS A 82 41.714 7.117 10.970 1.00 20.62 N ATOM 579 CA LYS A 82 40.454 6.455 11.277 1.00 16.89 C ATOM 580 C LYS A 82 39.287 7.212 10.678 1.00 14.17 C ATOM 581 O LYS A 82 39.307 8.426 10.565 1.00 12.31 O ATOM 582 CB LYS A 82 40.247 6.284 12.786 1.00 17.72 C ATOM 583 CG LYS A 82 41.294 5.383 13.475 1.00 19.06 C ATOM 584 CD LYS A 82 41.150 3.918 13.049 1.00 23.48 C ATOM 585 CE LYS A 82 42.018 3.007 13.893 1.00 25.41 C ATOM 586 NZ LYS A 82 43.383 2.829 13.305 1.00 27.50 N ATOM 0 H LYS A 82 41.934 7.749 11.511 1.00 20.62 H new ATOM 0 HA LYS A 82 40.496 5.571 10.880 1.00 16.89 H new ATOM 0 HB2 LYS A 82 40.263 7.159 13.205 1.00 17.72 H new ATOM 0 HB3 LYS A 82 39.365 5.912 12.940 1.00 17.72 H new ATOM 0 HG2 LYS A 82 42.185 5.697 13.257 1.00 19.06 H new ATOM 0 HG3 LYS A 82 41.197 5.451 14.438 1.00 19.06 H new ATOM 0 HD2 LYS A 82 40.222 3.647 13.127 1.00 23.48 H new ATOM 0 HD3 LYS A 82 41.395 3.826 12.115 1.00 23.48 H new ATOM 0 HE2 LYS A 82 42.097 3.375 14.787 1.00 25.41 H new ATOM 0 HE3 LYS A 82 41.589 2.141 13.979 1.00 25.41 H new ATOM 0 HZ1 LYS A 82 43.722 2.050 13.571 1.00 27.50 H new ATOM 0 HZ2 LYS A 82 43.328 2.841 12.417 1.00 27.50 H new ATOM 0 HZ3 LYS A 82 43.912 3.491 13.577 1.00 27.50 H new ATOM 587 N LYS A 83 38.248 6.469 10.325 1.00 12.29 N ATOM 588 CA LYS A 83 37.075 7.077 9.774 1.00 10.00 C ATOM 589 C LYS A 83 36.009 7.227 10.830 1.00 9.60 C ATOM 590 O LYS A 83 36.140 6.729 11.952 1.00 10.00 O ATOM 591 CB LYS A 83 36.549 6.262 8.607 1.00 10.61 C ATOM 592 CG LYS A 83 37.488 6.248 7.387 1.00 10.82 C ATOM 593 CD LYS A 83 36.875 5.377 6.303 1.00 12.61 C ATOM 594 CE LYS A 83 37.636 5.536 4.996 1.00 14.83 C ATOM 595 NZ LYS A 83 38.807 4.612 4.981 1.00 16.74 N ATOM 0 H LYS A 83 38.212 5.613 10.400 1.00 12.29 H new ATOM 0 HA LYS A 83 37.315 7.960 9.450 1.00 10.00 H new ATOM 0 HB2 LYS A 83 36.401 5.350 8.901 1.00 10.61 H new ATOM 0 HB3 LYS A 83 35.687 6.617 8.338 1.00 10.61 H new ATOM 0 HG2 LYS A 83 37.622 7.150 7.057 1.00 10.82 H new ATOM 0 HG3 LYS A 83 38.360 5.906 7.639 1.00 10.82 H new ATOM 0 HD2 LYS A 83 36.890 4.448 6.581 1.00 12.61 H new ATOM 0 HD3 LYS A 83 35.945 5.620 6.173 1.00 12.61 H new ATOM 0 HE2 LYS A 83 37.052 5.344 4.246 1.00 14.83 H new ATOM 0 HE3 LYS A 83 37.935 6.453 4.895 1.00 14.83 H new ATOM 0 HZ1 LYS A 83 39.251 4.707 4.215 1.00 16.74 H new ATOM 0 HZ2 LYS A 83 39.347 4.805 5.662 1.00 16.74 H new ATOM 0 HZ3 LYS A 83 38.523 3.772 5.057 1.00 16.74 H new ATOM 596 N SER A 84 34.957 7.939 10.458 1.00 8.53 N ATOM 597 CA SER A 84 33.767 8.154 11.278 1.00 7.65 C ATOM 598 C SER A 84 32.556 7.747 10.461 1.00 7.74 C ATOM 599 O SER A 84 32.596 7.777 9.236 1.00 7.46 O ATOM 600 CB SER A 84 33.682 9.638 11.621 1.00 9.37 C ATOM 601 OG SER A 84 33.495 10.387 10.420 1.00 14.15 O ATOM 0 H SER A 84 34.911 8.327 9.692 1.00 8.53 H new ATOM 0 HA SER A 84 33.804 7.633 12.096 1.00 7.65 H new ATOM 0 HB2 SER A 84 32.946 9.798 12.233 1.00 9.37 H new ATOM 0 HB3 SER A 84 34.492 9.924 12.071 1.00 9.37 H new ATOM 0 HG SER A 84 32.674 10.459 10.259 1.00 14.15 H new ATOM 602 N MET A 85 31.462 7.368 11.109 1.00 5.72 N ATOM 603 CA MET A 85 30.259 6.992 10.380 1.00 5.75 C ATOM 604 C MET A 85 29.067 7.461 11.225 1.00 7.30 C ATOM 605 O MET A 85 29.035 7.227 12.419 1.00 7.30 O ATOM 606 CB MET A 85 30.189 5.468 10.138 1.00 7.74 C ATOM 607 CG MET A 85 28.857 4.876 9.742 1.00 12.03 C ATOM 608 SD AMET A 85 28.954 3.181 8.947 0.50 15.42 S ATOM 609 SD BMET A 85 29.083 3.071 9.865 0.50 16.86 S ATOM 610 CE AMET A 85 30.449 2.706 9.672 0.50 2.00 C ATOM 611 CE BMET A 85 27.586 2.635 8.967 0.50 15.97 C ATOM 0 H MET A 85 31.395 7.322 11.965 1.00 5.72 H new ATOM 0 HA MET A 85 30.255 7.406 9.503 1.00 5.75 H new ATOM 0 HB2 MET A 85 30.831 5.247 9.445 1.00 7.74 H new ATOM 0 HB3 MET A 85 30.483 5.024 10.949 1.00 7.74 H new ATOM 0 HG2AMET A 85 28.296 4.817 10.531 0.50 12.03 H new ATOM 0 HG2BMET A 85 28.149 5.182 10.330 0.50 12.03 H new ATOM 0 HG3AMET A 85 28.418 5.483 9.126 0.50 12.03 H new ATOM 0 HG3BMET A 85 28.611 5.138 8.841 0.50 12.03 H new ATOM 0 HE1AMET A 85 30.709 1.834 9.336 0.50 15.97 H new ATOM 0 HE1BMET A 85 27.534 1.671 8.873 0.50 15.97 H new ATOM 0 HE2AMET A 85 31.136 3.354 9.452 0.50 15.97 H new ATOM 0 HE2BMET A 85 26.811 2.955 9.455 0.50 15.97 H new ATOM 0 HE3AMET A 85 30.342 2.663 10.635 0.50 15.97 H new ATOM 0 HE3BMET A 85 27.605 3.044 8.088 0.50 15.97 H new ATOM 612 N GLU A 86 28.089 8.087 10.575 1.00 6.54 N ATOM 613 CA GLU A 86 26.923 8.582 11.284 1.00 7.69 C ATOM 614 C GLU A 86 25.712 8.451 10.361 1.00 7.85 C ATOM 615 O GLU A 86 25.824 8.664 9.144 1.00 9.55 O ATOM 616 CB GLU A 86 27.159 9.999 11.784 1.00 9.66 C ATOM 617 CG GLU A 86 27.126 11.043 10.712 1.00 11.31 C ATOM 618 CD GLU A 86 27.353 12.450 11.269 1.00 18.53 C ATOM 619 OE1 GLU A 86 27.622 12.614 12.494 1.00 17.40 O ATOM 620 OE2 GLU A 86 27.290 13.398 10.450 1.00 22.47 O ATOM 0 H GLU A 86 28.085 8.233 9.727 1.00 6.54 H new ATOM 0 HA GLU A 86 26.750 8.056 12.080 1.00 7.69 H new ATOM 0 HB2 GLU A 86 26.486 10.212 12.450 1.00 9.66 H new ATOM 0 HB3 GLU A 86 28.020 10.035 12.229 1.00 9.66 H new ATOM 0 HG2 GLU A 86 27.806 10.846 10.049 1.00 11.31 H new ATOM 0 HG3 GLU A 86 26.270 11.011 10.258 1.00 11.31 H new ATOM 621 N THR A 87 24.592 8.025 10.942 1.00 6.18 N ATOM 622 CA THR A 87 23.408 7.691 10.142 1.00 6.46 C ATOM 623 C THR A 87 22.242 8.541 10.566 1.00 5.23 C ATOM 624 O THR A 87 21.944 8.602 11.769 1.00 5.63 O ATOM 625 CB THR A 87 23.056 6.204 10.445 1.00 6.26 C ATOM 626 OG1 THR A 87 24.160 5.371 10.002 1.00 7.64 O ATOM 627 CG2 THR A 87 21.822 5.778 9.620 1.00 8.78 C ATOM 0 H THR A 87 24.494 7.922 11.790 1.00 6.18 H new ATOM 0 HA THR A 87 23.587 7.840 9.200 1.00 6.46 H new ATOM 0 HB THR A 87 22.884 6.107 11.395 1.00 6.26 H new ATOM 0 HG1 THR A 87 24.733 5.316 10.614 1.00 7.64 H new ATOM 0 HG21 THR A 87 21.608 4.852 9.813 1.00 8.78 H new ATOM 0 HG22 THR A 87 21.067 6.340 9.854 1.00 8.78 H new ATOM 0 HG23 THR A 87 22.016 5.875 8.674 1.00 8.78 H new ATOM 628 N HIS A 88 21.589 9.186 9.611 1.00 5.62 N ATOM 629 CA HIS A 88 20.356 9.889 9.920 1.00 5.27 C ATOM 630 C HIS A 88 19.254 9.055 9.288 1.00 6.17 C ATOM 631 O HIS A 88 19.303 8.787 8.070 1.00 6.44 O ATOM 632 CB HIS A 88 20.316 11.268 9.242 1.00 5.13 C ATOM 633 CG HIS A 88 18.949 11.889 9.291 1.00 6.61 C ATOM 634 ND1 HIS A 88 18.349 12.260 10.468 1.00 6.06 N ATOM 635 CD2 HIS A 88 18.031 12.117 8.310 1.00 7.82 C ATOM 636 CE1 HIS A 88 17.132 12.721 10.219 1.00 6.01 C ATOM 637 NE2 HIS A 88 16.923 12.663 8.913 1.00 7.45 N ATOM 0 H HIS A 88 21.838 9.229 8.789 1.00 5.62 H new ATOM 0 HA HIS A 88 20.269 10.011 10.878 1.00 5.27 H new ATOM 0 HB2 HIS A 88 20.952 11.858 9.676 1.00 5.13 H new ATOM 0 HB3 HIS A 88 20.596 11.180 8.317 1.00 5.13 H new ATOM 0 HD1 HIS A 88 18.708 12.202 11.247 1.00 6.06 H new ATOM 0 HD2 HIS A 88 18.135 11.937 7.403 1.00 7.82 H new ATOM 0 HE1 HIS A 88 16.528 13.032 10.854 1.00 6.01 H new ATOM 638 N ILE A 89 18.263 8.662 10.093 1.00 6.50 N ATOM 639 CA ILE A 89 17.138 7.860 9.597 1.00 6.20 C ATOM 640 C ILE A 89 15.975 8.801 9.221 1.00 6.47 C ATOM 641 O ILE A 89 15.631 9.680 9.998 1.00 6.87 O ATOM 642 CB ILE A 89 16.704 6.852 10.642 1.00 6.68 C ATOM 643 CG1 ILE A 89 17.874 5.938 11.034 1.00 6.20 C ATOM 644 CG2 ILE A 89 15.568 5.950 10.102 1.00 5.29 C ATOM 645 CD1 ILE A 89 17.576 5.054 12.291 1.00 10.27 C ATOM 0 H ILE A 89 18.223 8.849 10.931 1.00 6.50 H new ATOM 0 HA ILE A 89 17.413 7.366 8.809 1.00 6.20 H new ATOM 0 HB ILE A 89 16.395 7.356 11.411 1.00 6.68 H new ATOM 0 HG12 ILE A 89 18.090 5.361 10.285 1.00 6.20 H new ATOM 0 HG13 ILE A 89 18.657 6.483 11.208 1.00 6.20 H new ATOM 0 HG21 ILE A 89 15.307 5.314 10.786 1.00 5.29 H new ATOM 0 HG22 ILE A 89 14.805 6.499 9.863 1.00 5.29 H new ATOM 0 HG23 ILE A 89 15.880 5.471 9.318 1.00 5.29 H new ATOM 0 HD11 ILE A 89 18.348 4.501 12.488 1.00 10.27 H new ATOM 0 HD12 ILE A 89 17.385 5.626 13.051 1.00 10.27 H new ATOM 0 HD13 ILE A 89 16.810 4.487 12.113 1.00 10.27 H new ATOM 646 N MET A 90 15.342 8.567 8.067 1.00 6.13 N ATOM 647 CA MET A 90 14.220 9.393 7.630 1.00 7.40 C ATOM 648 C MET A 90 12.950 8.793 8.223 1.00 7.22 C ATOM 649 O MET A 90 12.130 8.159 7.524 1.00 7.68 O ATOM 650 CB MET A 90 14.143 9.453 6.096 1.00 7.81 C ATOM 651 CG MET A 90 15.116 10.502 5.515 1.00 9.43 C ATOM 652 SD MET A 90 16.805 9.826 5.275 1.00 10.50 S ATOM 653 CE MET A 90 16.605 9.215 3.539 1.00 8.05 C ATOM 0 H MET A 90 15.550 7.933 7.524 1.00 6.13 H new ATOM 0 HA MET A 90 14.334 10.306 7.937 1.00 7.40 H new ATOM 0 HB2 MET A 90 14.350 8.580 5.727 1.00 7.81 H new ATOM 0 HB3 MET A 90 13.236 9.667 5.826 1.00 7.81 H new ATOM 0 HG2 MET A 90 14.774 10.822 4.666 1.00 9.43 H new ATOM 0 HG3 MET A 90 15.157 11.267 6.110 1.00 9.43 H new ATOM 0 HE1 MET A 90 17.333 8.612 3.322 1.00 8.05 H new ATOM 0 HE2 MET A 90 15.761 8.745 3.457 1.00 8.05 H new ATOM 0 HE3 MET A 90 16.616 9.968 2.927 1.00 8.05 H new ATOM 654 N HIS A 91 12.828 9.000 9.528 1.00 6.92 N ATOM 655 CA HIS A 91 11.687 8.579 10.311 1.00 6.93 C ATOM 656 C HIS A 91 11.695 9.423 11.571 1.00 7.54 C ATOM 657 O HIS A 91 12.748 9.655 12.160 1.00 6.90 O ATOM 658 CB HIS A 91 11.844 7.113 10.743 1.00 7.27 C ATOM 659 CG HIS A 91 10.684 6.624 11.547 1.00 7.82 C ATOM 660 ND1 HIS A 91 9.405 6.548 11.029 1.00 11.22 N ATOM 661 CD2 HIS A 91 10.591 6.263 12.845 1.00 9.23 C ATOM 662 CE1 HIS A 91 8.579 6.130 11.971 1.00 10.45 C ATOM 663 NE2 HIS A 91 9.277 5.941 13.079 1.00 11.75 N ATOM 0 H HIS A 91 13.429 9.403 9.993 1.00 6.92 H new ATOM 0 HA HIS A 91 10.873 8.676 9.793 1.00 6.93 H new ATOM 0 HB2 HIS A 91 11.945 6.556 9.955 1.00 7.27 H new ATOM 0 HB3 HIS A 91 12.657 7.018 11.263 1.00 7.27 H new ATOM 0 HD2 HIS A 91 11.285 6.237 13.463 1.00 9.23 H new ATOM 0 HE1 HIS A 91 7.665 5.992 11.872 1.00 10.45 H new ATOM 0 HE2 HIS A 91 8.958 5.661 13.827 1.00 11.75 H new ATOM 664 N THR A 92 10.527 9.859 12.008 1.00 8.61 N ATOM 665 CA THR A 92 10.449 10.592 13.274 1.00 10.39 C ATOM 666 C THR A 92 10.246 9.633 14.432 1.00 11.21 C ATOM 667 O THR A 92 9.208 8.972 14.527 1.00 12.30 O ATOM 668 CB THR A 92 9.320 11.624 13.227 1.00 10.71 C ATOM 669 OG1 THR A 92 9.548 12.535 12.150 1.00 13.53 O ATOM 670 CG2 THR A 92 9.358 12.499 14.468 1.00 11.80 C ATOM 0 H THR A 92 9.777 9.748 11.601 1.00 8.61 H new ATOM 0 HA THR A 92 11.287 11.061 13.409 1.00 10.39 H new ATOM 0 HB THR A 92 8.486 11.136 13.142 1.00 10.71 H new ATOM 0 HG1 THR A 92 8.927 13.100 12.124 1.00 13.53 H new ATOM 0 HG21 THR A 92 8.639 13.149 14.428 1.00 11.80 H new ATOM 0 HG22 THR A 92 9.250 11.946 15.258 1.00 11.80 H new ATOM 0 HG23 THR A 92 10.209 12.962 14.512 1.00 11.80 H new ATOM 671 N PHE A 93 11.248 9.557 15.301 1.00 12.50 N ATOM 672 CA PHE A 93 11.213 8.730 16.491 1.00 13.46 C ATOM 673 C PHE A 93 10.674 9.562 17.648 1.00 15.23 C ATOM 674 O PHE A 93 10.954 10.766 17.743 1.00 16.89 O ATOM 675 CB PHE A 93 12.616 8.207 16.820 1.00 12.63 C ATOM 676 CG PHE A 93 13.112 7.154 15.856 1.00 11.67 C ATOM 677 CD1 PHE A 93 13.766 7.532 14.692 1.00 11.04 C ATOM 678 CD2 PHE A 93 12.906 5.789 16.114 1.00 12.43 C ATOM 679 CE1 PHE A 93 14.245 6.580 13.777 1.00 11.16 C ATOM 680 CE2 PHE A 93 13.355 4.813 15.203 1.00 12.64 C ATOM 681 CZ PHE A 93 14.031 5.223 14.016 1.00 11.47 C ATOM 0 H PHE A 93 11.982 9.996 15.209 1.00 12.50 H new ATOM 0 HA PHE A 93 10.636 7.965 16.340 1.00 13.46 H new ATOM 0 HB2 PHE A 93 13.238 8.951 16.822 1.00 12.63 H new ATOM 0 HB3 PHE A 93 12.613 7.838 17.717 1.00 12.63 H new ATOM 0 HD1 PHE A 93 13.890 8.436 14.514 1.00 11.04 H new ATOM 0 HD2 PHE A 93 12.470 5.527 16.893 1.00 12.43 H new ATOM 0 HE1 PHE A 93 14.703 6.854 13.015 1.00 11.16 H new ATOM 0 HE2 PHE A 93 13.212 3.910 15.374 1.00 12.64 H new ATOM 0 HZ PHE A 93 14.328 4.588 13.404 1.00 11.47 H new ATOM 682 N LYS A 94 9.924 8.919 18.524 1.00 17.38 N ATOM 683 CA LYS A 94 9.317 9.610 19.655 1.00 18.96 C ATOM 684 C LYS A 94 10.287 9.677 20.834 1.00 19.00 C ATOM 685 O LYS A 94 10.102 10.463 21.750 1.00 19.21 O ATOM 686 CB LYS A 94 7.979 8.961 20.053 1.00 19.45 C ATOM 687 CG LYS A 94 8.043 7.488 20.494 1.00 22.83 C ATOM 688 CD LYS A 94 7.641 7.305 21.966 1.00 29.05 C ATOM 689 CE LYS A 94 6.285 6.612 22.124 1.00 30.71 C ATOM 690 NZ LYS A 94 5.326 7.008 21.040 1.00 32.98 N ATOM 0 H LYS A 94 9.751 8.078 18.485 1.00 17.38 H new ATOM 0 HA LYS A 94 9.122 10.521 19.383 1.00 18.96 H new ATOM 0 HB2 LYS A 94 7.592 9.479 20.776 1.00 19.45 H new ATOM 0 HB3 LYS A 94 7.372 9.028 19.300 1.00 19.45 H new ATOM 0 HG2 LYS A 94 7.456 6.958 19.932 1.00 22.83 H new ATOM 0 HG3 LYS A 94 8.943 7.151 20.362 1.00 22.83 H new ATOM 0 HD2 LYS A 94 8.321 6.785 22.421 1.00 29.05 H new ATOM 0 HD3 LYS A 94 7.610 8.172 22.399 1.00 29.05 H new ATOM 0 HE2 LYS A 94 6.410 5.650 22.110 1.00 30.71 H new ATOM 0 HE3 LYS A 94 5.906 6.836 22.988 1.00 30.71 H new ATOM 0 HZ1 LYS A 94 4.491 6.919 21.335 1.00 32.98 H new ATOM 0 HZ2 LYS A 94 5.470 7.856 20.811 1.00 32.98 H new ATOM 0 HZ3 LYS A 94 5.447 6.485 20.330 1.00 32.98 H new ATOM 691 N GLU A 95 11.353 8.882 20.770 1.00 18.57 N ATOM 692 CA GLU A 95 12.251 8.681 21.893 1.00 18.19 C ATOM 693 C GLU A 95 13.645 8.485 21.321 1.00 17.21 C ATOM 694 O GLU A 95 13.771 7.930 20.235 1.00 16.95 O ATOM 695 CB GLU A 95 11.812 7.402 22.589 1.00 19.44 C ATOM 696 CG GLU A 95 12.542 7.039 23.850 1.00 24.10 C ATOM 697 CD GLU A 95 11.607 6.384 24.843 1.00 29.44 C ATOM 698 OE1 GLU A 95 11.314 5.182 24.669 1.00 31.84 O ATOM 699 OE2 GLU A 95 11.149 7.079 25.775 1.00 31.88 O ATOM 0 H GLU A 95 11.573 8.442 20.065 1.00 18.57 H new ATOM 0 HA GLU A 95 12.242 9.426 22.514 1.00 18.19 H new ATOM 0 HB2 GLU A 95 10.868 7.478 22.797 1.00 19.44 H new ATOM 0 HB3 GLU A 95 11.906 6.668 21.962 1.00 19.44 H new ATOM 0 HG2 GLU A 95 13.274 6.437 23.643 1.00 24.10 H new ATOM 0 HG3 GLU A 95 12.932 7.835 24.243 1.00 24.10 H new ATOM 700 N ASP A 96 14.681 8.920 22.034 1.00 15.73 N ATOM 701 CA ASP A 96 16.046 8.536 21.636 1.00 14.15 C ATOM 702 C ASP A 96 16.221 7.029 21.745 1.00 12.73 C ATOM 703 O ASP A 96 15.452 6.348 22.440 1.00 13.54 O ATOM 704 CB ASP A 96 17.077 9.222 22.511 1.00 14.41 C ATOM 705 CG ASP A 96 17.300 10.657 22.128 1.00 17.16 C ATOM 706 OD1 ASP A 96 16.860 11.103 21.039 1.00 16.03 O ATOM 707 OD2 ASP A 96 17.916 11.424 22.890 1.00 21.15 O ATOM 0 H ASP A 96 14.626 9.422 22.730 1.00 15.73 H new ATOM 0 HA ASP A 96 16.178 8.814 20.716 1.00 14.15 H new ATOM 0 HB2 ASP A 96 16.790 9.179 23.437 1.00 14.41 H new ATOM 0 HB3 ASP A 96 17.917 8.741 22.452 1.00 14.41 H new ATOM 708 N PHE A 97 17.261 6.510 21.099 1.00 10.63 N ATOM 709 CA PHE A 97 17.519 5.080 21.120 1.00 10.07 C ATOM 710 C PHE A 97 18.976 4.723 21.384 1.00 9.27 C ATOM 711 O PHE A 97 19.542 3.814 20.798 1.00 9.06 O ATOM 712 CB PHE A 97 16.951 4.381 19.849 1.00 9.91 C ATOM 713 CG PHE A 97 17.283 5.062 18.527 1.00 8.93 C ATOM 714 CD1 PHE A 97 18.483 4.784 17.842 1.00 6.07 C ATOM 715 CD2 PHE A 97 16.345 5.911 17.926 1.00 8.27 C ATOM 716 CE1 PHE A 97 18.767 5.381 16.593 1.00 8.32 C ATOM 717 CE2 PHE A 97 16.627 6.515 16.682 1.00 9.09 C ATOM 718 CZ PHE A 97 17.846 6.236 16.011 1.00 7.42 C ATOM 0 H PHE A 97 17.827 6.971 20.644 1.00 10.63 H new ATOM 0 HA PHE A 97 17.036 4.730 21.885 1.00 10.07 H new ATOM 0 HB2 PHE A 97 17.287 3.472 19.821 1.00 9.91 H new ATOM 0 HB3 PHE A 97 15.986 4.324 19.933 1.00 9.91 H new ATOM 0 HD1 PHE A 97 19.099 4.197 18.219 1.00 6.07 H new ATOM 0 HD2 PHE A 97 15.533 6.077 18.348 1.00 8.27 H new ATOM 0 HE1 PHE A 97 19.571 5.200 16.162 1.00 8.32 H new ATOM 0 HE2 PHE A 97 16.011 7.098 16.300 1.00 9.09 H new ATOM 0 HZ PHE A 97 18.025 6.625 15.185 1.00 7.42 H new ATOM 719 N TYR A 98 19.596 5.446 22.309 1.00 9.43 N ATOM 720 CA TYR A 98 20.950 5.103 22.721 1.00 9.30 C ATOM 721 C TYR A 98 20.983 3.711 23.297 1.00 10.15 C ATOM 722 O TYR A 98 20.079 3.304 24.052 1.00 9.57 O ATOM 723 CB TYR A 98 21.496 6.129 23.729 1.00 10.13 C ATOM 724 CG TYR A 98 21.803 7.449 23.068 1.00 8.48 C ATOM 725 CD1 TYR A 98 22.968 7.627 22.291 1.00 8.67 C ATOM 726 CD2 TYR A 98 20.914 8.531 23.177 1.00 9.62 C ATOM 727 CE1 TYR A 98 23.230 8.854 21.674 1.00 6.81 C ATOM 728 CE2 TYR A 98 21.164 9.792 22.528 1.00 7.40 C ATOM 729 CZ TYR A 98 22.344 9.929 21.796 1.00 7.41 C ATOM 730 OH TYR A 98 22.632 11.119 21.169 1.00 7.31 O ATOM 0 H TYR A 98 19.256 6.129 22.705 1.00 9.43 H new ATOM 0 HA TYR A 98 21.523 5.125 21.939 1.00 9.30 H new ATOM 0 HB2 TYR A 98 20.847 6.264 24.437 1.00 10.13 H new ATOM 0 HB3 TYR A 98 22.300 5.779 24.144 1.00 10.13 H new ATOM 0 HD1 TYR A 98 23.566 6.922 22.189 1.00 8.67 H new ATOM 0 HD2 TYR A 98 20.141 8.430 23.684 1.00 9.62 H new ATOM 0 HE1 TYR A 98 24.007 8.957 21.174 1.00 6.81 H new ATOM 0 HE2 TYR A 98 20.557 10.494 22.595 1.00 7.40 H new ATOM 0 HH TYR A 98 23.352 11.045 20.743 1.00 7.31 H new ATOM 731 N GLY A 99 22.016 2.976 22.929 1.00 10.16 N ATOM 732 CA GLY A 99 22.220 1.654 23.498 1.00 11.28 C ATOM 733 C GLY A 99 21.500 0.578 22.694 1.00 11.47 C ATOM 734 O GLY A 99 21.813 -0.610 22.831 1.00 13.37 O ATOM 0 H GLY A 99 22.608 3.220 22.355 1.00 10.16 H new ATOM 0 HA2 GLY A 99 23.169 1.456 23.526 1.00 11.28 H new ATOM 0 HA3 GLY A 99 21.900 1.643 24.414 1.00 11.28 H new ATOM 735 N GLU A 100 20.530 0.980 21.863 1.00 11.51 N ATOM 736 CA GLU A 100 19.780 0.016 21.045 1.00 11.33 C ATOM 737 C GLU A 100 20.641 -0.368 19.862 1.00 10.01 C ATOM 738 O GLU A 100 21.623 0.318 19.540 1.00 10.19 O ATOM 739 CB GLU A 100 18.467 0.607 20.526 1.00 12.08 C ATOM 740 CG GLU A 100 17.447 0.958 21.610 1.00 17.41 C ATOM 741 CD GLU A 100 16.944 -0.266 22.312 1.00 26.59 C ATOM 742 OE1 GLU A 100 16.122 -1.007 21.707 1.00 32.67 O ATOM 743 OE2 GLU A 100 17.381 -0.511 23.460 1.00 32.58 O ATOM 0 H GLU A 100 20.292 1.800 21.759 1.00 11.51 H new ATOM 0 HA GLU A 100 19.564 -0.753 21.596 1.00 11.33 H new ATOM 0 HB2 GLU A 100 18.667 1.408 20.017 1.00 12.08 H new ATOM 0 HB3 GLU A 100 18.063 -0.026 19.912 1.00 12.08 H new ATOM 0 HG2 GLU A 100 17.853 1.558 22.255 1.00 17.41 H new ATOM 0 HG3 GLU A 100 16.701 1.433 21.212 1.00 17.41 H new ATOM 744 N ILE A 101 20.292 -1.465 19.207 1.00 8.86 N ATOM 745 CA ILE A 101 21.068 -1.862 18.021 1.00 7.50 C ATOM 746 C ILE A 101 20.543 -1.258 16.721 1.00 8.24 C ATOM 747 O ILE A 101 19.391 -1.491 16.332 1.00 10.07 O ATOM 748 CB ILE A 101 21.159 -3.415 17.871 1.00 7.98 C ATOM 749 CG1 ILE A 101 21.727 -4.069 19.150 1.00 6.65 C ATOM 750 CG2 ILE A 101 21.950 -3.780 16.617 1.00 8.71 C ATOM 751 CD1 ILE A 101 22.927 -3.353 19.705 1.00 8.60 C ATOM 0 H ILE A 101 19.637 -1.982 19.415 1.00 8.86 H new ATOM 0 HA ILE A 101 21.956 -1.503 18.176 1.00 7.50 H new ATOM 0 HB ILE A 101 20.264 -3.773 17.760 1.00 7.98 H new ATOM 0 HG12 ILE A 101 21.033 -4.096 19.827 1.00 6.65 H new ATOM 0 HG13 ILE A 101 21.969 -4.988 18.955 1.00 6.65 H new ATOM 0 HG21 ILE A 101 22.000 -4.745 16.535 1.00 8.71 H new ATOM 0 HG22 ILE A 101 21.507 -3.412 15.836 1.00 8.71 H new ATOM 0 HG23 ILE A 101 22.846 -3.415 16.682 1.00 8.71 H new ATOM 0 HD11 ILE A 101 23.236 -3.809 20.503 1.00 8.60 H new ATOM 0 HD12 ILE A 101 23.635 -3.347 19.042 1.00 8.60 H new ATOM 0 HD13 ILE A 101 22.685 -2.440 19.928 1.00 8.60 H new ATOM 752 N LEU A 102 21.392 -0.503 16.039 1.00 6.82 N ATOM 753 CA LEU A 102 21.003 0.031 14.742 1.00 8.05 C ATOM 754 C LEU A 102 21.495 -0.941 13.659 1.00 8.35 C ATOM 755 O LEU A 102 22.684 -1.278 13.594 1.00 8.60 O ATOM 756 CB LEU A 102 21.592 1.449 14.596 1.00 8.74 C ATOM 757 CG LEU A 102 21.672 2.068 13.203 1.00 8.92 C ATOM 758 CD1 LEU A 102 20.236 2.333 12.772 1.00 7.85 C ATOM 759 CD2 LEU A 102 22.486 3.365 13.249 1.00 11.63 C ATOM 0 H LEU A 102 22.183 -0.291 16.302 1.00 6.82 H new ATOM 0 HA LEU A 102 20.041 0.111 14.651 1.00 8.05 H new ATOM 0 HB2 LEU A 102 21.067 2.045 15.153 1.00 8.74 H new ATOM 0 HB3 LEU A 102 22.490 1.434 14.964 1.00 8.74 H new ATOM 0 HG LEU A 102 22.116 1.480 12.572 1.00 8.92 H new ATOM 0 HD11 LEU A 102 20.232 2.729 11.887 1.00 7.85 H new ATOM 0 HD12 LEU A 102 19.744 1.497 12.754 1.00 7.85 H new ATOM 0 HD13 LEU A 102 19.816 2.942 13.400 1.00 7.85 H new ATOM 0 HD21 LEU A 102 22.531 3.751 12.360 1.00 11.63 H new ATOM 0 HD22 LEU A 102 22.060 3.994 13.852 1.00 11.63 H new ATOM 0 HD23 LEU A 102 23.383 3.173 13.564 1.00 11.63 H new ATOM 760 N ASN A 103 20.572 -1.363 12.799 1.00 7.02 N ATOM 761 CA ASN A 103 20.869 -2.243 11.687 1.00 6.22 C ATOM 762 C ASN A 103 20.879 -1.469 10.385 1.00 7.27 C ATOM 763 O ASN A 103 19.876 -0.842 10.037 1.00 6.18 O ATOM 764 CB ASN A 103 19.773 -3.340 11.605 1.00 6.66 C ATOM 765 CG ASN A 103 19.484 -3.986 12.950 1.00 8.85 C ATOM 766 OD1 ASN A 103 20.322 -4.720 13.485 1.00 10.16 O ATOM 767 ND2 ASN A 103 18.327 -3.689 13.529 1.00 9.56 N ATOM 0 H ASN A 103 19.743 -1.139 12.851 1.00 7.02 H new ATOM 0 HA ASN A 103 21.742 -2.641 11.827 1.00 6.22 H new ATOM 0 HB2 ASN A 103 18.956 -2.950 11.256 1.00 6.66 H new ATOM 0 HB3 ASN A 103 20.052 -4.024 10.976 1.00 6.66 H new ATOM 0 HD21 ASN A 103 18.139 -4.011 14.304 1.00 9.56 H new ATOM 0 HD22 ASN A 103 17.766 -3.175 13.129 1.00 9.56 H new ATOM 768 N VAL A 104 22.000 -1.487 9.677 1.00 6.63 N ATOM 769 CA VAL A 104 22.058 -0.712 8.427 1.00 7.80 C ATOM 770 C VAL A 104 22.440 -1.509 7.195 1.00 7.54 C ATOM 771 O VAL A 104 23.252 -2.434 7.265 1.00 6.89 O ATOM 772 CB VAL A 104 22.976 0.563 8.516 1.00 8.92 C ATOM 773 CG1 VAL A 104 22.588 1.515 9.707 1.00 7.76 C ATOM 774 CG2 VAL A 104 24.412 0.213 8.521 1.00 11.47 C ATOM 0 H VAL A 104 22.714 -1.919 9.884 1.00 6.63 H new ATOM 0 HA VAL A 104 21.136 -0.432 8.319 1.00 7.80 H new ATOM 0 HB VAL A 104 22.813 1.071 7.706 1.00 8.92 H new ATOM 0 HG11 VAL A 104 23.183 2.281 9.716 1.00 7.76 H new ATOM 0 HG12 VAL A 104 21.673 1.817 9.595 1.00 7.76 H new ATOM 0 HG13 VAL A 104 22.669 1.034 10.545 1.00 7.76 H new ATOM 0 HG21 VAL A 104 24.943 1.023 8.577 1.00 11.47 H new ATOM 0 HG22 VAL A 104 24.605 -0.352 9.285 1.00 11.47 H new ATOM 0 HG23 VAL A 104 24.632 -0.262 7.704 1.00 11.47 H new ATOM 775 N ALA A 105 21.829 -1.158 6.072 1.00 6.15 N ATOM 776 CA ALA A 105 22.230 -1.651 4.761 1.00 6.87 C ATOM 777 C ALA A 105 22.572 -0.431 3.920 1.00 6.99 C ATOM 778 O ALA A 105 21.683 0.378 3.617 1.00 6.96 O ATOM 779 CB ALA A 105 21.084 -2.454 4.106 1.00 7.59 C ATOM 0 H ALA A 105 21.160 -0.619 6.049 1.00 6.15 H new ATOM 0 HA ALA A 105 22.991 -2.248 4.835 1.00 6.87 H new ATOM 0 HB1 ALA A 105 21.369 -2.774 3.236 1.00 7.59 H new ATOM 0 HB2 ALA A 105 20.856 -3.210 4.669 1.00 7.59 H new ATOM 0 HB3 ALA A 105 20.307 -1.883 4.002 1.00 7.59 H new ATOM 780 N ILE A 106 23.852 -0.255 3.614 1.00 6.15 N ATOM 781 CA ILE A 106 24.313 0.904 2.835 1.00 7.18 C ATOM 782 C ILE A 106 24.237 0.447 1.389 1.00 7.55 C ATOM 783 O ILE A 106 24.901 -0.520 1.005 1.00 7.25 O ATOM 784 CB ILE A 106 25.767 1.274 3.179 1.00 7.74 C ATOM 785 CG1 ILE A 106 25.953 1.463 4.705 1.00 8.55 C ATOM 786 CG2 ILE A 106 26.220 2.500 2.390 1.00 10.07 C ATOM 787 CD1 ILE A 106 27.379 1.811 5.097 1.00 9.83 C ATOM 0 H ILE A 106 24.478 -0.796 3.847 1.00 6.15 H new ATOM 0 HA ILE A 106 23.775 1.690 3.019 1.00 7.18 H new ATOM 0 HB ILE A 106 26.337 0.535 2.915 1.00 7.74 H new ATOM 0 HG12 ILE A 106 25.359 2.165 5.013 1.00 8.55 H new ATOM 0 HG13 ILE A 106 25.689 0.648 5.160 1.00 8.55 H new ATOM 0 HG21 ILE A 106 27.137 2.714 2.623 1.00 10.07 H new ATOM 0 HG22 ILE A 106 26.163 2.313 1.440 1.00 10.07 H new ATOM 0 HG23 ILE A 106 25.648 3.253 2.605 1.00 10.07 H new ATOM 0 HD11 ILE A 106 27.434 1.917 6.060 1.00 9.83 H new ATOM 0 HD12 ILE A 106 27.975 1.099 4.816 1.00 9.83 H new ATOM 0 HD13 ILE A 106 27.640 2.640 4.666 1.00 9.83 H new ATOM 788 N VAL A 107 23.415 1.123 0.590 1.00 8.37 N ATOM 789 CA VAL A 107 23.126 0.595 -0.750 1.00 8.41 C ATOM 790 C VAL A 107 23.716 1.387 -1.918 1.00 8.66 C ATOM 791 O VAL A 107 23.963 0.813 -2.972 1.00 9.25 O ATOM 792 CB VAL A 107 21.596 0.256 -0.988 1.00 9.54 C ATOM 793 CG1 VAL A 107 20.992 -0.534 0.171 1.00 9.52 C ATOM 794 CG2 VAL A 107 20.819 1.520 -1.222 1.00 10.48 C ATOM 0 H VAL A 107 23.025 1.863 0.790 1.00 8.37 H new ATOM 0 HA VAL A 107 23.611 -0.245 -0.748 1.00 8.41 H new ATOM 0 HB VAL A 107 21.541 -0.307 -1.776 1.00 9.54 H new ATOM 0 HG11 VAL A 107 20.058 -0.719 -0.015 1.00 9.52 H new ATOM 0 HG12 VAL A 107 21.472 -1.370 0.278 1.00 9.52 H new ATOM 0 HG13 VAL A 107 21.061 -0.015 0.988 1.00 9.52 H new ATOM 0 HG21 VAL A 107 19.885 1.304 -1.367 1.00 10.48 H new ATOM 0 HG22 VAL A 107 20.900 2.098 -0.447 1.00 10.48 H new ATOM 0 HG23 VAL A 107 21.170 1.976 -2.003 1.00 10.48 H new ATOM 795 N GLY A 108 23.964 2.685 -1.738 1.00 7.76 N ATOM 796 CA GLY A 108 24.360 3.538 -2.841 1.00 9.00 C ATOM 797 C GLY A 108 25.183 4.708 -2.369 1.00 9.49 C ATOM 798 O GLY A 108 25.125 5.082 -1.196 1.00 8.79 O ATOM 0 H GLY A 108 23.906 3.086 -0.979 1.00 7.76 H new ATOM 0 HA2 GLY A 108 24.870 3.021 -3.484 1.00 9.00 H new ATOM 0 HA3 GLY A 108 23.570 3.862 -3.301 1.00 9.00 H new ATOM 799 N TYR A 109 25.985 5.263 -3.282 1.00 9.33 N ATOM 800 CA TYR A 109 26.793 6.441 -2.978 1.00 9.78 C ATOM 801 C TYR A 109 26.173 7.671 -3.605 1.00 10.33 C ATOM 802 O TYR A 109 25.871 7.677 -4.795 1.00 10.44 O ATOM 803 CB TYR A 109 28.136 6.257 -3.632 1.00 10.31 C ATOM 804 CG TYR A 109 29.223 7.232 -3.248 1.00 12.33 C ATOM 805 CD1 TYR A 109 29.728 7.257 -1.956 1.00 11.04 C ATOM 806 CD2 TYR A 109 29.787 8.082 -4.201 1.00 14.30 C ATOM 807 CE1 TYR A 109 30.776 8.114 -1.608 1.00 12.99 C ATOM 808 CE2 TYR A 109 30.834 8.958 -3.864 1.00 14.87 C ATOM 809 CZ TYR A 109 31.323 8.958 -2.576 1.00 12.86 C ATOM 810 OH TYR A 109 32.377 9.780 -2.229 1.00 14.75 O ATOM 0 H TYR A 109 26.074 4.969 -4.085 1.00 9.33 H new ATOM 0 HA TYR A 109 26.857 6.547 -2.016 1.00 9.78 H new ATOM 0 HB2 TYR A 109 28.449 5.361 -3.431 1.00 10.31 H new ATOM 0 HB3 TYR A 109 28.013 6.305 -4.593 1.00 10.31 H new ATOM 0 HD1 TYR A 109 29.363 6.695 -1.311 1.00 11.04 H new ATOM 0 HD2 TYR A 109 29.465 8.069 -5.073 1.00 14.30 H new ATOM 0 HE1 TYR A 109 31.106 8.122 -0.739 1.00 12.99 H new ATOM 0 HE2 TYR A 109 31.192 9.531 -4.503 1.00 14.87 H new ATOM 0 HH TYR A 109 32.631 9.596 -1.450 1.00 14.75 H new ATOM 811 N LEU A 110 26.045 8.732 -2.824 1.00 10.17 N ATOM 812 CA LEU A 110 25.488 10.000 -3.310 1.00 11.31 C ATOM 813 C LEU A 110 26.528 10.961 -3.827 1.00 11.34 C ATOM 814 O LEU A 110 26.448 11.453 -4.972 1.00 12.19 O ATOM 815 CB LEU A 110 24.721 10.688 -2.166 1.00 12.45 C ATOM 816 CG LEU A 110 23.220 10.608 -2.050 1.00 14.79 C ATOM 817 CD1 LEU A 110 22.741 11.611 -1.015 1.00 13.71 C ATOM 818 CD2 LEU A 110 22.460 10.724 -3.392 1.00 13.00 C ATOM 0 H LEU A 110 26.277 8.744 -1.996 1.00 10.17 H new ATOM 0 HA LEU A 110 24.907 9.776 -4.054 1.00 11.31 H new ATOM 0 HB2 LEU A 110 25.085 10.341 -1.337 1.00 12.45 H new ATOM 0 HB3 LEU A 110 24.949 11.630 -2.203 1.00 12.45 H new ATOM 0 HG LEU A 110 23.005 9.711 -1.751 1.00 14.79 H new ATOM 0 HD11 LEU A 110 21.775 11.561 -0.939 1.00 13.71 H new ATOM 0 HD12 LEU A 110 23.144 11.408 -0.156 1.00 13.71 H new ATOM 0 HD13 LEU A 110 22.998 12.506 -1.288 1.00 13.71 H new ATOM 0 HD21 LEU A 110 21.506 10.663 -3.230 1.00 13.00 H new ATOM 0 HD22 LEU A 110 22.663 11.577 -3.807 1.00 13.00 H new ATOM 0 HD23 LEU A 110 22.734 10.005 -3.982 1.00 13.00 H new ATOM 819 N ARG A 111 27.518 11.252 -2.995 1.00 9.47 N ATOM 820 CA ARG A 111 28.528 12.230 -3.320 1.00 9.33 C ATOM 821 C ARG A 111 29.756 12.171 -2.430 1.00 9.82 C ATOM 822 O ARG A 111 29.673 11.676 -1.279 1.00 8.38 O ATOM 823 CB ARG A 111 27.894 13.640 -3.209 1.00 9.54 C ATOM 824 CG ARG A 111 27.510 14.053 -1.766 1.00 7.67 C ATOM 825 CD ARG A 111 27.077 15.512 -1.727 1.00 7.79 C ATOM 826 NE ARG A 111 26.594 15.918 -0.385 1.00 8.87 N ATOM 827 CZ ARG A 111 27.369 16.288 0.621 1.00 8.28 C ATOM 828 NH1 ARG A 111 28.698 16.293 0.496 1.00 10.91 N ATOM 829 NH2 ARG A 111 26.824 16.625 1.787 1.00 8.06 N ATOM 0 H ARG A 111 27.619 10.883 -2.224 1.00 9.47 H new ATOM 0 HA ARG A 111 28.833 12.033 -4.219 1.00 9.33 H new ATOM 0 HB2 ARG A 111 28.517 14.292 -3.566 1.00 9.54 H new ATOM 0 HB3 ARG A 111 27.100 13.671 -3.765 1.00 9.54 H new ATOM 0 HG2 ARG A 111 26.791 13.488 -1.442 1.00 7.67 H new ATOM 0 HG3 ARG A 111 28.266 13.918 -1.173 1.00 7.67 H new ATOM 0 HD2 ARG A 111 27.823 16.076 -1.985 1.00 7.79 H new ATOM 0 HD3 ARG A 111 26.374 15.656 -2.379 1.00 7.79 H new ATOM 0 HE ARG A 111 25.745 15.912 -0.250 1.00 8.87 H new ATOM 0 HH11 ARG A 111 29.061 16.054 -0.246 1.00 10.91 H new ATOM 0 HH12 ARG A 111 29.191 16.536 1.157 1.00 10.91 H new ATOM 0 HH21 ARG A 111 25.970 16.602 1.885 1.00 8.06 H new ATOM 0 HH22 ARG A 111 27.326 16.866 2.443 1.00 8.06 H new ATOM 830 N PRO A 112 30.883 12.715 -2.914 1.00 9.38 N ATOM 831 CA PRO A 112 32.053 12.908 -2.073 1.00 9.87 C ATOM 832 C PRO A 112 31.770 13.933 -1.001 1.00 9.86 C ATOM 833 O PRO A 112 30.791 14.702 -1.096 1.00 9.77 O ATOM 834 CB PRO A 112 33.097 13.443 -3.061 1.00 10.03 C ATOM 835 CG PRO A 112 32.277 14.120 -4.091 1.00 12.12 C ATOM 836 CD PRO A 112 31.130 13.194 -4.301 1.00 10.32 C ATOM 0 HA PRO A 112 32.333 12.102 -1.611 1.00 9.87 H new ATOM 0 HB2 PRO A 112 33.713 14.058 -2.633 1.00 10.03 H new ATOM 0 HB3 PRO A 112 33.630 12.727 -3.441 1.00 10.03 H new ATOM 0 HG2 PRO A 112 31.979 14.993 -3.791 1.00 12.12 H new ATOM 0 HG3 PRO A 112 32.778 14.257 -4.910 1.00 12.12 H new ATOM 0 HD2 PRO A 112 30.358 13.647 -4.674 1.00 10.32 H new ATOM 0 HD3 PRO A 112 31.352 12.468 -4.905 1.00 10.32 H new ATOM 837 N GLU A 113 32.612 13.955 0.016 1.00 10.29 N ATOM 838 CA GLU A 113 32.572 15.039 0.978 1.00 11.61 C ATOM 839 C GLU A 113 32.851 16.357 0.265 1.00 11.43 C ATOM 840 O GLU A 113 33.597 16.409 -0.739 1.00 9.68 O ATOM 841 CB GLU A 113 33.593 14.828 2.084 1.00 12.75 C ATOM 842 CG GLU A 113 33.112 13.765 3.047 1.00 17.99 C ATOM 843 CD GLU A 113 33.869 13.765 4.341 1.00 21.42 C ATOM 844 OE1 GLU A 113 35.109 13.772 4.273 1.00 21.97 O ATOM 845 OE2 GLU A 113 33.194 13.753 5.402 1.00 24.22 O ATOM 0 H GLU A 113 33.211 13.356 0.167 1.00 10.29 H new ATOM 0 HA GLU A 113 31.690 15.061 1.381 1.00 11.61 H new ATOM 0 HB2 GLU A 113 34.444 14.565 1.701 1.00 12.75 H new ATOM 0 HB3 GLU A 113 33.741 15.661 2.559 1.00 12.75 H new ATOM 0 HG2 GLU A 113 32.169 13.903 3.229 1.00 17.99 H new ATOM 0 HG3 GLU A 113 33.196 12.894 2.628 1.00 17.99 H new ATOM 846 N LYS A 114 32.232 17.413 0.779 1.00 12.22 N ATOM 847 CA LYS A 114 32.398 18.767 0.242 1.00 13.06 C ATOM 848 C LYS A 114 32.659 19.753 1.376 1.00 13.14 C ATOM 849 O LYS A 114 32.272 19.509 2.531 1.00 12.68 O ATOM 850 CB LYS A 114 31.159 19.200 -0.586 1.00 13.09 C ATOM 851 CG LYS A 114 30.750 18.192 -1.684 1.00 15.61 C ATOM 852 CD LYS A 114 29.530 18.599 -2.535 1.00 14.55 C ATOM 853 CE LYS A 114 29.658 17.942 -3.933 1.00 18.54 C ATOM 854 NZ LYS A 114 28.372 17.882 -4.706 1.00 17.15 N ATOM 0 H LYS A 114 31.700 17.368 1.453 1.00 12.22 H new ATOM 0 HA LYS A 114 33.164 18.765 -0.354 1.00 13.06 H new ATOM 0 HB2 LYS A 114 30.409 19.330 0.016 1.00 13.09 H new ATOM 0 HB3 LYS A 114 31.342 20.058 -1.000 1.00 13.09 H new ATOM 0 HG2 LYS A 114 31.507 18.056 -2.275 1.00 15.61 H new ATOM 0 HG3 LYS A 114 30.562 17.338 -1.264 1.00 15.61 H new ATOM 0 HD2 LYS A 114 28.709 18.314 -2.104 1.00 14.55 H new ATOM 0 HD3 LYS A 114 29.486 19.564 -2.620 1.00 14.55 H new ATOM 0 HE2 LYS A 114 30.313 18.435 -4.452 1.00 18.54 H new ATOM 0 HE3 LYS A 114 30.001 17.041 -3.825 1.00 18.54 H new ATOM 0 HZ1 LYS A 114 28.436 17.261 -5.341 1.00 17.15 H new ATOM 0 HZ2 LYS A 114 27.704 17.676 -4.156 1.00 17.15 H new ATOM 0 HZ3 LYS A 114 28.213 18.674 -5.081 1.00 17.15 H new ATOM 855 N ASN A 115 33.312 20.864 1.059 1.00 13.30 N ATOM 856 CA ASN A 115 33.506 21.938 2.029 1.00 15.28 C ATOM 857 C ASN A 115 32.383 22.943 1.855 1.00 15.05 C ATOM 858 O ASN A 115 32.075 23.344 0.737 1.00 15.34 O ATOM 859 CB ASN A 115 34.861 22.642 1.820 1.00 15.14 C ATOM 860 CG ASN A 115 36.028 21.750 2.153 1.00 18.66 C ATOM 861 OD1 ASN A 115 35.936 20.892 3.046 1.00 23.12 O ATOM 862 ND2 ASN A 115 37.138 21.927 1.432 1.00 21.21 N ATOM 0 H ASN A 115 33.653 21.018 0.284 1.00 13.30 H new ATOM 0 HA ASN A 115 33.500 21.563 2.923 1.00 15.28 H new ATOM 0 HB2 ASN A 115 34.933 22.933 0.898 1.00 15.14 H new ATOM 0 HB3 ASN A 115 34.898 23.438 2.373 1.00 15.14 H new ATOM 0 HD21 ASN A 115 37.828 21.435 1.578 1.00 21.21 H new ATOM 0 HD22 ASN A 115 37.162 22.532 0.822 1.00 21.21 H new ATOM 863 N PHE A 116 31.772 23.348 2.954 1.00 15.90 N ATOM 864 CA PHE A 116 30.712 24.340 2.875 1.00 16.11 C ATOM 865 C PHE A 116 31.145 25.615 3.596 1.00 17.40 C ATOM 866 O PHE A 116 31.821 25.561 4.629 1.00 18.64 O ATOM 867 CB PHE A 116 29.406 23.768 3.438 1.00 15.75 C ATOM 868 CG PHE A 116 28.890 22.573 2.668 1.00 12.66 C ATOM 869 CD1 PHE A 116 28.272 22.736 1.443 1.00 13.07 C ATOM 870 CD2 PHE A 116 29.026 21.296 3.164 1.00 13.70 C ATOM 871 CE1 PHE A 116 27.827 21.640 0.724 1.00 11.06 C ATOM 872 CE2 PHE A 116 28.547 20.200 2.473 1.00 13.74 C ATOM 873 CZ PHE A 116 27.947 20.375 1.223 1.00 12.95 C ATOM 0 H PHE A 116 31.951 23.067 3.747 1.00 15.90 H new ATOM 0 HA PHE A 116 30.545 24.569 1.947 1.00 16.11 H new ATOM 0 HB2 PHE A 116 29.546 23.512 4.363 1.00 15.75 H new ATOM 0 HB3 PHE A 116 28.729 24.463 3.435 1.00 15.75 H new ATOM 0 HD1 PHE A 116 28.154 23.591 1.098 1.00 13.07 H new ATOM 0 HD2 PHE A 116 29.450 21.168 3.982 1.00 13.70 H new ATOM 0 HE1 PHE A 116 27.440 21.767 -0.112 1.00 11.06 H new ATOM 0 HE2 PHE A 116 28.624 19.348 2.838 1.00 13.74 H new ATOM 0 HZ PHE A 116 27.635 19.644 0.740 1.00 12.95 H new ATOM 874 N ASP A 117 30.759 26.763 3.068 1.00 17.94 N ATOM 875 CA ASP A 117 31.243 28.012 3.655 1.00 18.30 C ATOM 876 C ASP A 117 30.337 28.659 4.704 1.00 17.27 C ATOM 877 O ASP A 117 30.639 29.765 5.173 1.00 17.47 O ATOM 878 CB ASP A 117 31.621 29.030 2.570 1.00 20.07 C ATOM 879 CG ASP A 117 30.447 29.436 1.694 1.00 23.31 C ATOM 880 OD1 ASP A 117 29.271 29.289 2.128 1.00 28.32 O ATOM 881 OD2 ASP A 117 30.619 29.916 0.542 1.00 27.63 O ATOM 0 H ASP A 117 30.235 26.848 2.392 1.00 17.94 H new ATOM 0 HA ASP A 117 32.033 27.741 4.148 1.00 18.30 H new ATOM 0 HB2 ASP A 117 31.991 29.821 2.992 1.00 20.07 H new ATOM 0 HB3 ASP A 117 32.319 28.654 2.011 1.00 20.07 H new ATOM 882 N SER A 118 29.229 27.999 5.051 1.00 14.89 N ATOM 883 CA SER A 118 28.304 28.519 6.051 1.00 12.86 C ATOM 884 C SER A 118 27.393 27.425 6.527 1.00 12.29 C ATOM 885 O SER A 118 27.236 26.398 5.852 1.00 10.05 O ATOM 886 CB SER A 118 27.437 29.641 5.463 1.00 13.10 C ATOM 887 OG SER A 118 26.652 29.151 4.387 1.00 11.69 O ATOM 0 H SER A 118 28.997 27.243 4.714 1.00 14.89 H new ATOM 0 HA SER A 118 28.831 28.866 6.788 1.00 12.86 H new ATOM 0 HB2 SER A 118 26.860 30.006 6.152 1.00 13.10 H new ATOM 0 HB3 SER A 118 28.003 30.366 5.154 1.00 13.10 H new ATOM 0 HG SER A 118 26.182 29.774 4.076 1.00 11.69 H new ATOM 888 N LEU A 119 26.741 27.658 7.666 1.00 11.87 N ATOM 889 CA LEU A 119 25.735 26.714 8.114 1.00 10.88 C ATOM 890 C LEU A 119 24.567 26.683 7.135 1.00 9.16 C ATOM 891 O LEU A 119 23.973 25.646 6.967 1.00 8.27 O ATOM 892 CB LEU A 119 25.202 27.062 9.510 1.00 12.13 C ATOM 893 CG LEU A 119 26.191 26.701 10.624 1.00 15.57 C ATOM 894 CD1 LEU A 119 25.807 27.454 11.893 1.00 19.93 C ATOM 895 CD2 LEU A 119 26.222 25.204 10.849 1.00 16.71 C ATOM 0 H LEU A 119 26.865 28.338 8.177 1.00 11.87 H new ATOM 0 HA LEU A 119 26.161 25.844 8.156 1.00 10.88 H new ATOM 0 HB2 LEU A 119 25.006 28.011 9.551 1.00 12.13 H new ATOM 0 HB3 LEU A 119 24.366 26.593 9.660 1.00 12.13 H new ATOM 0 HG LEU A 119 27.087 26.966 10.364 1.00 15.57 H new ATOM 0 HD11 LEU A 119 26.429 27.230 12.603 1.00 19.93 H new ATOM 0 HD12 LEU A 119 25.839 28.409 11.725 1.00 19.93 H new ATOM 0 HD13 LEU A 119 24.909 27.203 12.159 1.00 19.93 H new ATOM 0 HD21 LEU A 119 26.852 24.996 11.556 1.00 16.71 H new ATOM 0 HD22 LEU A 119 25.338 24.896 11.104 1.00 16.71 H new ATOM 0 HD23 LEU A 119 26.496 24.759 10.031 1.00 16.71 H new ATOM 896 N GLU A 120 24.250 27.818 6.523 1.00 7.99 N ATOM 897 CA GLU A 120 23.159 27.888 5.553 1.00 8.04 C ATOM 898 C GLU A 120 23.433 26.926 4.392 1.00 6.75 C ATOM 899 O GLU A 120 22.563 26.148 4.012 1.00 6.11 O ATOM 900 CB GLU A 120 23.004 29.300 5.040 1.00 8.78 C ATOM 901 CG GLU A 120 21.684 29.536 4.349 1.00 12.71 C ATOM 902 CD GLU A 120 21.583 30.933 3.817 1.00 12.06 C ATOM 903 OE1 GLU A 120 21.944 31.870 4.548 1.00 13.41 O ATOM 904 OE2 GLU A 120 21.147 31.099 2.645 1.00 16.32 O ATOM 0 H GLU A 120 24.656 28.564 6.655 1.00 7.99 H new ATOM 0 HA GLU A 120 22.332 27.627 5.989 1.00 8.04 H new ATOM 0 HB2 GLU A 120 23.090 29.919 5.782 1.00 8.78 H new ATOM 0 HB3 GLU A 120 23.726 29.495 4.422 1.00 8.78 H new ATOM 0 HG2 GLU A 120 21.581 28.903 3.621 1.00 12.71 H new ATOM 0 HG3 GLU A 120 20.958 29.373 4.971 1.00 12.71 H new ATOM 905 N SER A 121 24.652 26.961 3.855 1.00 6.05 N ATOM 906 CA SER A 121 24.950 26.028 2.754 1.00 6.72 C ATOM 907 C SER A 121 25.035 24.587 3.209 1.00 6.37 C ATOM 908 O SER A 121 24.577 23.669 2.494 1.00 4.74 O ATOM 909 CB SER A 121 26.201 26.475 1.958 1.00 8.37 C ATOM 910 OG SER A 121 27.317 26.638 2.794 1.00 16.47 O ATOM 0 H SER A 121 25.292 27.484 4.093 1.00 6.05 H new ATOM 0 HA SER A 121 24.196 26.063 2.145 1.00 6.72 H new ATOM 0 HB2 SER A 121 26.402 25.817 1.274 1.00 8.37 H new ATOM 0 HB3 SER A 121 26.013 27.310 1.502 1.00 8.37 H new ATOM 0 HG SER A 121 27.218 27.328 3.263 1.00 16.47 H new ATOM 911 N LEU A 122 25.600 24.354 4.400 1.00 4.57 N ATOM 912 CA LEU A 122 25.617 23.024 4.984 1.00 6.40 C ATOM 913 C LEU A 122 24.228 22.423 5.187 1.00 6.03 C ATOM 914 O LEU A 122 23.950 21.295 4.775 1.00 5.76 O ATOM 915 CB LEU A 122 26.390 23.048 6.314 1.00 6.63 C ATOM 916 CG LEU A 122 26.358 21.739 7.139 1.00 8.73 C ATOM 917 CD1 LEU A 122 27.051 20.591 6.385 1.00 13.71 C ATOM 918 CD2 LEU A 122 27.002 21.929 8.505 1.00 15.56 C ATOM 0 H LEU A 122 25.977 24.959 4.880 1.00 4.57 H new ATOM 0 HA LEU A 122 26.066 22.448 4.346 1.00 6.40 H new ATOM 0 HB2 LEU A 122 27.316 23.269 6.126 1.00 6.63 H new ATOM 0 HB3 LEU A 122 26.033 23.764 6.862 1.00 6.63 H new ATOM 0 HG LEU A 122 25.426 21.505 7.270 1.00 8.73 H new ATOM 0 HD11 LEU A 122 27.017 19.784 6.922 1.00 13.71 H new ATOM 0 HD12 LEU A 122 26.597 20.437 5.542 1.00 13.71 H new ATOM 0 HD13 LEU A 122 27.976 20.827 6.215 1.00 13.71 H new ATOM 0 HD21 LEU A 122 26.967 21.094 8.998 1.00 15.56 H new ATOM 0 HD22 LEU A 122 27.927 22.199 8.392 1.00 15.56 H new ATOM 0 HD23 LEU A 122 26.523 22.614 8.996 1.00 15.56 H new ATOM 919 N ILE A 123 23.342 23.191 5.814 1.00 6.36 N ATOM 920 CA ILE A 123 22.032 22.662 6.140 1.00 6.36 C ATOM 921 C ILE A 123 21.253 22.414 4.847 1.00 5.50 C ATOM 922 O ILE A 123 20.595 21.370 4.699 1.00 7.27 O ATOM 923 CB ILE A 123 21.297 23.632 7.067 1.00 6.94 C ATOM 924 CG1 ILE A 123 21.915 23.583 8.483 1.00 6.23 C ATOM 925 CG2 ILE A 123 19.795 23.297 7.123 1.00 8.52 C ATOM 926 CD1 ILE A 123 21.436 24.769 9.382 1.00 7.21 C ATOM 0 H ILE A 123 23.479 24.005 6.054 1.00 6.36 H new ATOM 0 HA ILE A 123 22.119 21.817 6.609 1.00 6.36 H new ATOM 0 HB ILE A 123 21.394 24.531 6.715 1.00 6.94 H new ATOM 0 HG12 ILE A 123 21.680 22.743 8.907 1.00 6.23 H new ATOM 0 HG13 ILE A 123 22.882 23.604 8.412 1.00 6.23 H new ATOM 0 HG21 ILE A 123 19.346 23.921 7.714 1.00 8.52 H new ATOM 0 HG22 ILE A 123 19.415 23.365 6.233 1.00 8.52 H new ATOM 0 HG23 ILE A 123 19.677 22.394 7.457 1.00 8.52 H new ATOM 0 HD11 ILE A 123 21.847 24.698 10.258 1.00 7.21 H new ATOM 0 HD12 ILE A 123 21.692 25.610 8.972 1.00 7.21 H new ATOM 0 HD13 ILE A 123 20.471 24.736 9.475 1.00 7.21 H new ATOM 927 N SER A 124 21.371 23.330 3.885 1.00 6.56 N ATOM 928 CA SER A 124 20.690 23.121 2.603 1.00 5.46 C ATOM 929 C SER A 124 21.199 21.859 1.905 1.00 6.50 C ATOM 930 O SER A 124 20.425 21.077 1.331 1.00 5.52 O ATOM 931 CB SER A 124 20.890 24.339 1.704 1.00 7.58 C ATOM 932 OG SER A 124 20.351 24.042 0.433 1.00 9.84 O ATOM 0 H SER A 124 21.825 24.058 3.948 1.00 6.56 H new ATOM 0 HA SER A 124 19.743 23.004 2.777 1.00 5.46 H new ATOM 0 HB2 SER A 124 20.451 25.116 2.084 1.00 7.58 H new ATOM 0 HB3 SER A 124 21.833 24.554 1.630 1.00 7.58 H new ATOM 0 HG SER A 124 19.699 23.520 0.520 1.00 9.84 H new ATOM 933 N ALA A 125 22.512 21.655 1.977 1.00 6.02 N ATOM 934 CA ALA A 125 23.118 20.474 1.388 1.00 6.60 C ATOM 935 C ALA A 125 22.619 19.185 2.010 1.00 8.25 C ATOM 936 O ALA A 125 22.301 18.228 1.273 1.00 9.58 O ATOM 937 CB ALA A 125 24.632 20.539 1.453 1.00 6.19 C ATOM 0 H ALA A 125 23.065 22.189 2.362 1.00 6.02 H new ATOM 0 HA ALA A 125 22.845 20.468 0.457 1.00 6.60 H new ATOM 0 HB1 ALA A 125 25.008 19.739 1.053 1.00 6.19 H new ATOM 0 HB2 ALA A 125 24.944 21.319 0.968 1.00 6.19 H new ATOM 0 HB3 ALA A 125 24.914 20.600 2.379 1.00 6.19 H new ATOM 938 N ILE A 126 22.567 19.153 3.337 1.00 8.32 N ATOM 939 CA ILE A 126 22.112 17.971 4.062 1.00 9.39 C ATOM 940 C ILE A 126 20.670 17.677 3.672 1.00 9.26 C ATOM 941 O ILE A 126 20.324 16.523 3.342 1.00 9.17 O ATOM 942 CB ILE A 126 22.247 18.140 5.588 1.00 10.53 C ATOM 943 CG1 ILE A 126 23.719 18.205 6.032 1.00 11.32 C ATOM 944 CG2 ILE A 126 21.504 16.989 6.318 1.00 14.01 C ATOM 945 CD1 ILE A 126 23.820 18.936 7.468 1.00 12.99 C ATOM 0 H ILE A 126 22.793 19.812 3.841 1.00 8.32 H new ATOM 0 HA ILE A 126 22.677 17.222 3.817 1.00 9.39 H new ATOM 0 HB ILE A 126 21.839 18.986 5.830 1.00 10.53 H new ATOM 0 HG12 ILE A 126 24.089 17.310 6.088 1.00 11.32 H new ATOM 0 HG13 ILE A 126 24.243 18.689 5.375 1.00 11.32 H new ATOM 0 HG21 ILE A 126 21.594 17.103 7.277 1.00 14.01 H new ATOM 0 HG22 ILE A 126 20.564 17.006 6.077 1.00 14.01 H new ATOM 0 HG23 ILE A 126 21.889 16.138 6.056 1.00 14.01 H new ATOM 0 HD11 ILE A 126 24.748 18.976 7.746 1.00 12.99 H new ATOM 0 HD12 ILE A 126 23.464 19.836 7.399 1.00 12.99 H new ATOM 0 HD13 ILE A 126 23.308 18.436 8.123 1.00 12.99 H new ATOM 946 N GLN A 127 19.822 18.702 3.707 1.00 9.01 N ATOM 947 CA GLN A 127 18.423 18.514 3.313 1.00 10.25 C ATOM 948 C GLN A 127 18.296 17.982 1.889 1.00 9.48 C ATOM 949 O GLN A 127 17.477 17.101 1.628 1.00 10.07 O ATOM 950 CB GLN A 127 17.647 19.817 3.485 1.00 11.03 C ATOM 951 CG GLN A 127 17.565 20.238 4.981 1.00 15.70 C ATOM 952 CD GLN A 127 16.914 21.578 5.146 1.00 20.28 C ATOM 953 OE1 GLN A 127 16.610 22.243 4.146 1.00 22.72 O ATOM 954 NE2 GLN A 127 16.728 22.015 6.396 1.00 19.99 N ATOM 0 H GLN A 127 20.029 19.501 3.950 1.00 9.01 H new ATOM 0 HA GLN A 127 18.038 17.843 3.898 1.00 10.25 H new ATOM 0 HB2 GLN A 127 18.076 20.520 2.973 1.00 11.03 H new ATOM 0 HB3 GLN A 127 16.751 19.711 3.128 1.00 11.03 H new ATOM 0 HG2 GLN A 127 17.065 19.572 5.478 1.00 15.70 H new ATOM 0 HG3 GLN A 127 18.458 20.263 5.360 1.00 15.70 H new ATOM 0 HE21 GLN A 127 16.954 21.520 7.062 1.00 19.99 H new ATOM 0 HE22 GLN A 127 16.383 22.791 6.533 1.00 19.99 H new ATOM 955 N GLY A 128 19.111 18.491 0.962 1.00 8.75 N ATOM 956 CA GLY A 128 19.077 18.037 -0.418 1.00 7.82 C ATOM 957 C GLY A 128 19.566 16.590 -0.569 1.00 7.70 C ATOM 958 O GLY A 128 19.028 15.859 -1.420 1.00 7.26 O ATOM 0 H GLY A 128 19.693 19.104 1.119 1.00 8.75 H new ATOM 0 HA2 GLY A 128 18.171 18.107 -0.757 1.00 7.82 H new ATOM 0 HA3 GLY A 128 19.629 18.621 -0.962 1.00 7.82 H new ATOM 959 N ASP A 129 20.566 16.185 0.234 1.00 7.85 N ATOM 960 CA ASP A 129 21.047 14.800 0.250 1.00 7.21 C ATOM 961 C ASP A 129 19.891 13.897 0.680 1.00 8.25 C ATOM 962 O ASP A 129 19.638 12.866 0.056 1.00 8.46 O ATOM 963 CB ASP A 129 22.161 14.574 1.267 1.00 8.19 C ATOM 964 CG ASP A 129 23.489 15.254 0.901 1.00 8.36 C ATOM 965 OD1 ASP A 129 23.742 15.540 -0.289 1.00 10.23 O ATOM 966 OD2 ASP A 129 24.345 15.485 1.811 1.00 10.46 O ATOM 0 H ASP A 129 20.979 16.706 0.780 1.00 7.85 H new ATOM 0 HA ASP A 129 21.383 14.605 -0.639 1.00 7.21 H new ATOM 0 HB2 ASP A 129 21.868 14.902 2.132 1.00 8.19 H new ATOM 0 HB3 ASP A 129 22.312 13.620 1.361 1.00 8.19 H new ATOM 967 N ILE A 130 19.187 14.295 1.739 1.00 7.36 N ATOM 968 CA ILE A 130 18.074 13.490 2.218 1.00 7.38 C ATOM 969 C ILE A 130 16.973 13.358 1.122 1.00 7.10 C ATOM 970 O ILE A 130 16.484 12.249 0.867 1.00 7.51 O ATOM 971 CB ILE A 130 17.519 14.095 3.521 1.00 8.38 C ATOM 972 CG1 ILE A 130 18.508 13.858 4.673 1.00 8.21 C ATOM 973 CG2 ILE A 130 16.060 13.570 3.806 1.00 8.49 C ATOM 974 CD1 ILE A 130 18.246 14.750 5.917 1.00 8.70 C ATOM 0 H ILE A 130 19.336 15.015 2.185 1.00 7.36 H new ATOM 0 HA ILE A 130 18.388 12.593 2.412 1.00 7.38 H new ATOM 0 HB ILE A 130 17.433 15.057 3.429 1.00 8.38 H new ATOM 0 HG12 ILE A 130 18.465 12.926 4.939 1.00 8.21 H new ATOM 0 HG13 ILE A 130 19.409 14.020 4.353 1.00 8.21 H new ATOM 0 HG21 ILE A 130 15.730 13.962 4.629 1.00 8.49 H new ATOM 0 HG22 ILE A 130 15.477 13.820 3.072 1.00 8.49 H new ATOM 0 HG23 ILE A 130 16.075 12.604 3.892 1.00 8.49 H new ATOM 0 HD11 ILE A 130 18.902 14.550 6.603 1.00 8.70 H new ATOM 0 HD12 ILE A 130 18.315 15.684 5.666 1.00 8.70 H new ATOM 0 HD13 ILE A 130 17.356 14.573 6.261 1.00 8.70 H new ATOM 975 N GLU A 131 16.629 14.447 0.434 1.00 6.46 N ATOM 976 CA GLU A 131 15.576 14.370 -0.568 1.00 7.46 C ATOM 977 C GLU A 131 16.014 13.495 -1.752 1.00 7.38 C ATOM 978 O GLU A 131 15.238 12.710 -2.269 1.00 7.04 O ATOM 979 CB GLU A 131 15.144 15.786 -0.978 1.00 8.29 C ATOM 980 CG GLU A 131 14.512 16.546 0.198 1.00 11.86 C ATOM 981 CD GLU A 131 13.297 15.819 0.800 1.00 17.12 C ATOM 982 OE1 GLU A 131 12.404 15.419 0.029 1.00 18.06 O ATOM 983 OE2 GLU A 131 13.256 15.607 2.038 1.00 15.13 O ATOM 0 H GLU A 131 16.986 15.223 0.531 1.00 6.46 H new ATOM 0 HA GLU A 131 14.795 13.935 -0.193 1.00 7.46 H new ATOM 0 HB2 GLU A 131 15.913 16.278 -1.306 1.00 8.29 H new ATOM 0 HB3 GLU A 131 14.508 15.733 -1.709 1.00 8.29 H new ATOM 0 HG2 GLU A 131 15.180 16.676 0.889 1.00 11.86 H new ATOM 0 HG3 GLU A 131 14.239 17.427 -0.102 1.00 11.86 H new ATOM 984 N GLU A 132 17.283 13.601 -2.141 1.00 7.31 N ATOM 985 CA GLU A 132 17.800 12.796 -3.241 1.00 7.11 C ATOM 986 C GLU A 132 17.809 11.310 -2.866 1.00 7.03 C ATOM 987 O GLU A 132 17.452 10.459 -3.675 1.00 6.95 O ATOM 988 CB GLU A 132 19.196 13.276 -3.652 1.00 7.09 C ATOM 989 CG GLU A 132 19.809 12.540 -4.863 1.00 8.88 C ATOM 990 CD GLU A 132 19.054 12.719 -6.183 1.00 12.95 C ATOM 991 OE1 GLU A 132 18.150 13.580 -6.330 1.00 12.30 O ATOM 992 OE2 GLU A 132 19.368 11.942 -7.113 1.00 14.64 O ATOM 0 H GLU A 132 17.857 14.131 -1.782 1.00 7.31 H new ATOM 0 HA GLU A 132 17.212 12.905 -4.005 1.00 7.11 H new ATOM 0 HB2 GLU A 132 19.151 14.223 -3.856 1.00 7.09 H new ATOM 0 HB3 GLU A 132 19.793 13.177 -2.894 1.00 7.09 H new ATOM 0 HG2 GLU A 132 20.721 12.849 -4.984 1.00 8.88 H new ATOM 0 HG3 GLU A 132 19.855 11.593 -4.659 1.00 8.88 H new ATOM 993 N ALA A 133 18.254 11.010 -1.654 1.00 5.90 N ATOM 994 CA ALA A 133 18.294 9.634 -1.132 1.00 5.99 C ATOM 995 C ALA A 133 16.888 9.028 -1.159 1.00 5.65 C ATOM 996 O ALA A 133 16.708 7.907 -1.628 1.00 6.41 O ATOM 997 CB ALA A 133 18.843 9.631 0.291 1.00 6.57 C ATOM 0 H ALA A 133 18.546 11.599 -1.100 1.00 5.90 H new ATOM 0 HA ALA A 133 18.878 9.098 -1.691 1.00 5.99 H new ATOM 0 HB1 ALA A 133 18.866 8.721 0.627 1.00 6.57 H new ATOM 0 HB2 ALA A 133 19.741 9.999 0.293 1.00 6.57 H new ATOM 0 HB3 ALA A 133 18.272 10.171 0.859 1.00 6.57 H new ATOM 998 N LYS A 134 15.891 9.792 -0.720 1.00 5.44 N ATOM 999 CA LYS A 134 14.500 9.304 -0.761 1.00 6.69 C ATOM 1000 C LYS A 134 14.071 8.886 -2.148 1.00 6.84 C ATOM 1001 O LYS A 134 13.400 7.856 -2.323 1.00 7.35 O ATOM 1002 CB LYS A 134 13.536 10.356 -0.215 1.00 7.23 C ATOM 1003 CG LYS A 134 13.641 10.535 1.266 1.00 7.88 C ATOM 1004 CD LYS A 134 12.675 11.680 1.601 1.00 14.00 C ATOM 1005 CE LYS A 134 12.579 11.922 3.078 1.00 16.66 C ATOM 1006 NZ LYS A 134 11.736 13.172 3.286 1.00 19.02 N ATOM 0 H LYS A 134 15.988 10.584 -0.399 1.00 5.44 H new ATOM 0 HA LYS A 134 14.470 8.516 -0.196 1.00 6.69 H new ATOM 0 HB2 LYS A 134 13.711 11.205 -0.651 1.00 7.23 H new ATOM 0 HB3 LYS A 134 12.627 10.103 -0.441 1.00 7.23 H new ATOM 0 HG2 LYS A 134 13.397 9.722 1.736 1.00 7.88 H new ATOM 0 HG3 LYS A 134 14.549 10.754 1.529 1.00 7.88 H new ATOM 0 HD2 LYS A 134 12.972 12.491 1.160 1.00 14.00 H new ATOM 0 HD3 LYS A 134 11.795 11.472 1.250 1.00 14.00 H new ATOM 0 HE2 LYS A 134 12.175 11.161 3.522 1.00 16.66 H new ATOM 0 HE3 LYS A 134 13.462 12.039 3.462 1.00 16.66 H new ATOM 0 HZ1 LYS A 134 11.602 13.298 4.157 1.00 19.02 H new ATOM 0 HZ2 LYS A 134 12.161 13.877 2.946 1.00 19.02 H new ATOM 0 HZ3 LYS A 134 10.952 13.073 2.877 1.00 19.02 H new ATOM 1007 N LYS A 135 14.467 9.662 -3.159 1.00 6.46 N ATOM 1008 CA LYS A 135 14.091 9.346 -4.536 1.00 7.34 C ATOM 1009 C LYS A 135 14.789 8.096 -5.057 1.00 7.52 C ATOM 1010 O LYS A 135 14.147 7.266 -5.747 1.00 7.25 O ATOM 1011 CB LYS A 135 14.349 10.549 -5.466 1.00 7.83 C ATOM 1012 CG LYS A 135 13.510 11.750 -5.113 1.00 10.83 C ATOM 1013 CD LYS A 135 14.047 13.019 -5.810 1.00 15.32 C ATOM 1014 CE LYS A 135 13.560 14.295 -5.112 1.00 20.06 C ATOM 1015 NZ LYS A 135 13.908 15.477 -5.945 1.00 22.76 N ATOM 0 H LYS A 135 14.949 10.369 -3.069 1.00 6.46 H new ATOM 0 HA LYS A 135 13.140 9.157 -4.533 1.00 7.34 H new ATOM 0 HB2 LYS A 135 15.287 10.791 -5.422 1.00 7.83 H new ATOM 0 HB3 LYS A 135 14.165 10.289 -6.382 1.00 7.83 H new ATOM 0 HG2 LYS A 135 12.590 11.596 -5.378 1.00 10.83 H new ATOM 0 HG3 LYS A 135 13.511 11.879 -4.152 1.00 10.83 H new ATOM 0 HD2 LYS A 135 15.017 13.001 -5.814 1.00 15.32 H new ATOM 0 HD3 LYS A 135 13.760 13.026 -6.737 1.00 15.32 H new ATOM 0 HE2 LYS A 135 12.601 14.255 -4.975 1.00 20.06 H new ATOM 0 HE3 LYS A 135 13.969 14.373 -4.236 1.00 20.06 H new ATOM 0 HZ1 LYS A 135 13.469 16.191 -5.645 1.00 22.76 H new ATOM 0 HZ2 LYS A 135 14.784 15.626 -5.898 1.00 22.76 H new ATOM 0 HZ3 LYS A 135 13.679 15.322 -6.791 1.00 22.76 H new ATOM 1016 N ARG A 136 16.086 7.970 -4.763 1.00 6.39 N ATOM 1017 CA ARG A 136 16.896 6.897 -5.340 1.00 6.90 C ATOM 1018 C ARG A 136 16.505 5.553 -4.751 1.00 7.18 C ATOM 1019 O ARG A 136 16.633 4.489 -5.398 1.00 8.62 O ATOM 1020 CB ARG A 136 18.391 7.172 -5.097 1.00 7.87 C ATOM 1021 CG ARG A 136 18.914 8.379 -5.926 1.00 9.12 C ATOM 1022 CD ARG A 136 20.405 8.338 -6.187 1.00 12.64 C ATOM 1023 NE ARG A 136 20.880 9.621 -6.693 1.00 13.20 N ATOM 1024 CZ ARG A 136 22.160 9.923 -6.883 1.00 13.51 C ATOM 1025 NH1 ARG A 136 23.110 9.019 -6.655 1.00 13.61 N ATOM 1026 NH2 ARG A 136 22.484 11.132 -7.329 1.00 15.63 N ATOM 0 H ARG A 136 16.514 8.495 -4.233 1.00 6.39 H new ATOM 0 HA ARG A 136 16.733 6.870 -6.296 1.00 6.90 H new ATOM 0 HB2 ARG A 136 18.537 7.344 -4.153 1.00 7.87 H new ATOM 0 HB3 ARG A 136 18.904 6.381 -5.324 1.00 7.87 H new ATOM 0 HG2 ARG A 136 18.446 8.405 -6.775 1.00 9.12 H new ATOM 0 HG3 ARG A 136 18.698 9.201 -5.458 1.00 9.12 H new ATOM 0 HD2 ARG A 136 20.875 8.115 -5.368 1.00 12.64 H new ATOM 0 HD3 ARG A 136 20.606 7.639 -6.828 1.00 12.64 H new ATOM 0 HE ARG A 136 20.293 10.221 -6.881 1.00 13.20 H new ATOM 0 HH11 ARG A 136 22.898 8.232 -6.382 1.00 13.61 H new ATOM 0 HH12 ARG A 136 23.936 9.222 -6.780 1.00 13.61 H new ATOM 0 HH21 ARG A 136 21.868 11.710 -7.492 1.00 15.63 H new ATOM 0 HH22 ARG A 136 23.310 11.337 -7.455 1.00 15.63 H new ATOM 1027 N LEU A 137 16.029 5.590 -3.511 1.00 6.70 N ATOM 1028 CA LEU A 137 15.685 4.354 -2.817 1.00 7.10 C ATOM 1029 C LEU A 137 14.370 3.749 -3.325 1.00 7.43 C ATOM 1030 O LEU A 137 14.003 2.633 -2.914 1.00 8.55 O ATOM 1031 CB LEU A 137 15.613 4.609 -1.313 1.00 6.74 C ATOM 1032 CG LEU A 137 16.995 4.768 -0.653 1.00 4.48 C ATOM 1033 CD1 LEU A 137 16.889 5.435 0.702 1.00 5.50 C ATOM 1034 CD2 LEU A 137 17.647 3.406 -0.485 1.00 6.49 C ATOM 0 H LEU A 137 15.899 6.310 -3.059 1.00 6.70 H new ATOM 0 HA LEU A 137 16.383 3.707 -3.003 1.00 7.10 H new ATOM 0 HB2 LEU A 137 15.091 5.411 -1.152 1.00 6.74 H new ATOM 0 HB3 LEU A 137 15.142 3.874 -0.889 1.00 6.74 H new ATOM 0 HG LEU A 137 17.535 5.329 -1.232 1.00 4.48 H new ATOM 0 HD11 LEU A 137 17.774 5.521 1.091 1.00 5.50 H new ATOM 0 HD12 LEU A 137 16.495 6.315 0.600 1.00 5.50 H new ATOM 0 HD13 LEU A 137 16.331 4.897 1.285 1.00 5.50 H new ATOM 0 HD21 LEU A 137 18.517 3.512 -0.069 1.00 6.49 H new ATOM 0 HD22 LEU A 137 17.087 2.846 0.075 1.00 6.49 H new ATOM 0 HD23 LEU A 137 17.754 2.989 -1.354 1.00 6.49 H new ATOM 1035 N GLU A 138 13.675 4.489 -4.178 1.00 8.67 N ATOM 1036 CA GLU A 138 12.467 3.982 -4.834 1.00 8.51 C ATOM 1037 C GLU A 138 12.771 3.134 -6.045 1.00 8.86 C ATOM 1038 O GLU A 138 11.888 2.444 -6.562 1.00 8.71 O ATOM 1039 CB GLU A 138 11.558 5.152 -5.238 1.00 9.82 C ATOM 1040 CG GLU A 138 10.793 5.796 -4.094 1.00 11.51 C ATOM 1041 CD GLU A 138 10.018 4.788 -3.262 1.00 14.32 C ATOM 1042 OE1 GLU A 138 9.239 3.956 -3.805 1.00 16.20 O ATOM 1043 OE2 GLU A 138 10.169 4.820 -2.044 1.00 12.85 O ATOM 0 H GLU A 138 13.885 5.294 -4.395 1.00 8.67 H new ATOM 0 HA GLU A 138 12.015 3.413 -4.191 1.00 8.51 H new ATOM 0 HB2 GLU A 138 12.100 5.831 -5.669 1.00 9.82 H new ATOM 0 HB3 GLU A 138 10.921 4.836 -5.898 1.00 9.82 H new ATOM 0 HG2 GLU A 138 11.415 6.271 -3.521 1.00 11.51 H new ATOM 0 HG3 GLU A 138 10.178 6.455 -4.452 1.00 11.51 H new ATOM 1044 N LEU A 139 14.002 3.190 -6.527 1.00 9.10 N ATOM 1045 CA LEU A 139 14.388 2.390 -7.676 1.00 9.88 C ATOM 1046 C LEU A 139 14.254 0.932 -7.267 1.00 9.72 C ATOM 1047 O LEU A 139 14.690 0.561 -6.187 1.00 7.86 O ATOM 1048 CB LEU A 139 15.825 2.707 -8.075 1.00 11.12 C ATOM 1049 CG LEU A 139 16.124 4.035 -8.780 1.00 13.11 C ATOM 1050 CD1 LEU A 139 17.663 4.243 -8.807 1.00 16.31 C ATOM 1051 CD2 LEU A 139 15.536 4.035 -10.193 1.00 15.59 C ATOM 0 H LEU A 139 14.628 3.684 -6.204 1.00 9.10 H new ATOM 0 HA LEU A 139 13.824 2.582 -8.441 1.00 9.88 H new ATOM 0 HB2 LEU A 139 16.366 2.674 -7.271 1.00 11.12 H new ATOM 0 HB3 LEU A 139 16.133 1.992 -8.654 1.00 11.12 H new ATOM 0 HG LEU A 139 15.712 4.769 -8.298 1.00 13.11 H new ATOM 0 HD11 LEU A 139 17.869 5.081 -9.251 1.00 16.31 H new ATOM 0 HD12 LEU A 139 18.002 4.267 -7.899 1.00 16.31 H new ATOM 0 HD13 LEU A 139 18.080 3.512 -9.289 1.00 16.31 H new ATOM 0 HD21 LEU A 139 15.733 4.880 -10.626 1.00 15.59 H new ATOM 0 HD22 LEU A 139 15.927 3.311 -10.706 1.00 15.59 H new ATOM 0 HD23 LEU A 139 14.575 3.914 -10.144 1.00 15.59 H new ATOM 1052 N PRO A 140 13.619 0.111 -8.099 1.00 10.37 N ATOM 1053 CA PRO A 140 13.329 -1.286 -7.724 1.00 10.63 C ATOM 1054 C PRO A 140 14.534 -2.054 -7.167 1.00 10.93 C ATOM 1055 O PRO A 140 14.388 -2.822 -6.219 1.00 10.56 O ATOM 1056 CB PRO A 140 12.884 -1.912 -9.059 1.00 10.51 C ATOM 1057 CG PRO A 140 12.337 -0.776 -9.806 1.00 11.89 C ATOM 1058 CD PRO A 140 13.111 0.449 -9.440 1.00 10.85 C ATOM 0 HA PRO A 140 12.675 -1.324 -7.009 1.00 10.63 H new ATOM 0 HB2 PRO A 140 13.628 -2.322 -9.527 1.00 10.51 H new ATOM 0 HB3 PRO A 140 12.218 -2.604 -8.924 1.00 10.51 H new ATOM 0 HG2 PRO A 140 12.397 -0.940 -10.760 1.00 11.89 H new ATOM 0 HG3 PRO A 140 11.397 -0.656 -9.597 1.00 11.89 H new ATOM 0 HD2 PRO A 140 13.831 0.623 -10.066 1.00 10.85 H new ATOM 0 HD3 PRO A 140 12.550 1.240 -9.426 1.00 10.85 H new ATOM 1059 N GLU A 141 15.705 -1.818 -7.745 1.00 11.70 N ATOM 1060 CA GLU A 141 16.946 -2.475 -7.350 1.00 13.06 C ATOM 1061 C GLU A 141 17.379 -2.171 -5.896 1.00 11.81 C ATOM 1062 O GLU A 141 18.064 -2.969 -5.243 1.00 11.81 O ATOM 1063 CB GLU A 141 18.007 -2.088 -8.366 1.00 13.88 C ATOM 1064 CG GLU A 141 19.382 -1.708 -7.880 1.00 19.80 C ATOM 1065 CD GLU A 141 20.235 -1.158 -9.022 1.00 27.47 C ATOM 1066 OE1 GLU A 141 19.672 -0.479 -9.946 1.00 29.67 O ATOM 1067 OE2 GLU A 141 21.467 -1.418 -9.002 1.00 30.70 O ATOM 0 H GLU A 141 15.803 -1.260 -8.392 1.00 11.70 H new ATOM 0 HA GLU A 141 16.810 -3.435 -7.350 1.00 13.06 H new ATOM 0 HB2 GLU A 141 18.109 -2.832 -8.980 1.00 13.88 H new ATOM 0 HB3 GLU A 141 17.662 -1.341 -8.880 1.00 13.88 H new ATOM 0 HG2 GLU A 141 19.308 -1.043 -7.178 1.00 19.80 H new ATOM 0 HG3 GLU A 141 19.817 -2.483 -7.492 1.00 19.80 H new ATOM 1068 N TYR A 142 16.966 -1.017 -5.394 1.00 10.90 N ATOM 1069 CA TYR A 142 17.292 -0.614 -4.028 1.00 9.83 C ATOM 1070 C TYR A 142 16.098 -0.839 -3.139 1.00 10.08 C ATOM 1071 O TYR A 142 16.228 -1.243 -1.980 1.00 9.47 O ATOM 1072 CB TYR A 142 17.685 0.858 -3.977 1.00 9.06 C ATOM 1073 CG TYR A 142 18.917 1.167 -4.778 1.00 10.39 C ATOM 1074 CD1 TYR A 142 20.051 0.358 -4.686 1.00 11.90 C ATOM 1075 CD2 TYR A 142 18.942 2.273 -5.645 1.00 13.14 C ATOM 1076 CE1 TYR A 142 21.188 0.639 -5.436 1.00 16.42 C ATOM 1077 CE2 TYR A 142 20.063 2.570 -6.392 1.00 16.70 C ATOM 1078 CZ TYR A 142 21.177 1.755 -6.300 1.00 17.00 C ATOM 1079 OH TYR A 142 22.275 2.060 -7.068 1.00 19.39 O ATOM 0 H TYR A 142 16.492 -0.446 -5.829 1.00 10.90 H new ATOM 0 HA TYR A 142 18.041 -1.148 -3.721 1.00 9.83 H new ATOM 0 HB2 TYR A 142 16.948 1.396 -4.307 1.00 9.06 H new ATOM 0 HB3 TYR A 142 17.833 1.116 -3.054 1.00 9.06 H new ATOM 0 HD1 TYR A 142 20.046 -0.377 -4.117 1.00 11.90 H new ATOM 0 HD2 TYR A 142 18.189 2.814 -5.716 1.00 13.14 H new ATOM 0 HE1 TYR A 142 21.943 0.100 -5.369 1.00 16.42 H new ATOM 0 HE2 TYR A 142 20.070 3.312 -6.953 1.00 16.70 H new ATOM 0 HH TYR A 142 22.115 2.746 -7.526 1.00 19.39 H new ATOM 1080 N LEU A 143 14.915 -0.578 -3.687 1.00 9.50 N ATOM 1081 CA LEU A 143 13.694 -0.832 -2.930 1.00 10.30 C ATOM 1082 C LEU A 143 13.595 -2.250 -2.353 1.00 10.07 C ATOM 1083 O LEU A 143 13.141 -2.440 -1.234 1.00 11.07 O ATOM 1084 CB LEU A 143 12.458 -0.494 -3.785 1.00 10.10 C ATOM 1085 CG LEU A 143 11.137 -0.291 -3.037 1.00 11.65 C ATOM 1086 CD1 LEU A 143 11.243 0.665 -1.841 1.00 11.23 C ATOM 1087 CD2 LEU A 143 10.050 0.182 -3.989 1.00 10.79 C ATOM 0 H LEU A 143 14.798 -0.261 -4.478 1.00 9.50 H new ATOM 0 HA LEU A 143 13.727 -0.245 -2.158 1.00 10.30 H new ATOM 0 HB2 LEU A 143 12.649 0.314 -4.287 1.00 10.10 H new ATOM 0 HB3 LEU A 143 12.333 -1.206 -4.431 1.00 10.10 H new ATOM 0 HG LEU A 143 10.902 -1.159 -2.674 1.00 11.65 H new ATOM 0 HD11 LEU A 143 10.376 0.748 -1.415 1.00 11.23 H new ATOM 0 HD12 LEU A 143 11.884 0.315 -1.203 1.00 11.23 H new ATOM 0 HD13 LEU A 143 11.536 1.537 -2.148 1.00 11.23 H new ATOM 0 HD21 LEU A 143 9.222 0.305 -3.499 1.00 10.79 H new ATOM 0 HD22 LEU A 143 10.316 1.024 -4.391 1.00 10.79 H new ATOM 0 HD23 LEU A 143 9.918 -0.481 -4.685 1.00 10.79 H new ATOM 1088 N LYS A 144 14.050 -3.243 -3.104 1.00 9.29 N ATOM 1089 CA LYS A 144 14.007 -4.635 -2.653 1.00 10.09 C ATOM 1090 C LYS A 144 14.859 -4.926 -1.419 1.00 9.60 C ATOM 1091 O LYS A 144 14.585 -5.873 -0.677 1.00 9.77 O ATOM 1092 CB LYS A 144 14.449 -5.555 -3.785 1.00 10.29 C ATOM 1093 CG LYS A 144 15.924 -5.381 -4.123 1.00 13.43 C ATOM 1094 CD LYS A 144 16.522 -6.607 -4.765 1.00 17.19 C ATOM 1095 CE LYS A 144 17.194 -6.244 -6.056 1.00 18.67 C ATOM 1096 NZ LYS A 144 18.589 -5.756 -5.840 1.00 17.51 N ATOM 0 H LYS A 144 14.391 -3.135 -3.886 1.00 9.29 H new ATOM 0 HA LYS A 144 13.086 -4.800 -2.398 1.00 10.09 H new ATOM 0 HB2 LYS A 144 14.283 -6.477 -3.534 1.00 10.29 H new ATOM 0 HB3 LYS A 144 13.914 -5.375 -4.574 1.00 10.29 H new ATOM 0 HG2 LYS A 144 16.028 -4.624 -4.721 1.00 13.43 H new ATOM 0 HG3 LYS A 144 16.415 -5.172 -3.313 1.00 13.43 H new ATOM 0 HD2 LYS A 144 17.164 -7.015 -4.163 1.00 17.19 H new ATOM 0 HD3 LYS A 144 15.828 -7.265 -4.928 1.00 17.19 H new ATOM 0 HE2 LYS A 144 17.209 -7.018 -6.641 1.00 18.67 H new ATOM 0 HE3 LYS A 144 16.678 -5.558 -6.507 1.00 18.67 H new ATOM 0 HZ1 LYS A 144 19.069 -5.892 -6.577 1.00 17.51 H new ATOM 0 HZ2 LYS A 144 18.574 -4.886 -5.653 1.00 17.51 H new ATOM 0 HZ3 LYS A 144 18.957 -6.198 -5.161 1.00 17.51 H new ATOM 1097 N ILE A 145 15.892 -4.115 -1.186 1.00 9.20 N ATOM 1098 CA ILE A 145 16.827 -4.372 -0.088 1.00 9.44 C ATOM 1099 C ILE A 145 16.154 -4.179 1.270 1.00 9.84 C ATOM 1100 O ILE A 145 16.538 -4.789 2.272 1.00 9.14 O ATOM 1101 CB ILE A 145 18.116 -3.531 -0.230 1.00 8.91 C ATOM 1102 CG1 ILE A 145 18.772 -3.907 -1.574 1.00 11.94 C ATOM 1103 CG2 ILE A 145 19.079 -3.807 0.991 1.00 9.29 C ATOM 1104 CD1 ILE A 145 19.894 -3.031 -2.061 1.00 13.21 C ATOM 0 H ILE A 145 16.069 -3.413 -1.650 1.00 9.20 H new ATOM 0 HA ILE A 145 17.096 -5.302 -0.140 1.00 9.44 H new ATOM 0 HB ILE A 145 17.918 -2.582 -0.224 1.00 8.91 H new ATOM 0 HG12 ILE A 145 19.109 -4.814 -1.501 1.00 11.94 H new ATOM 0 HG13 ILE A 145 18.080 -3.915 -2.254 1.00 11.94 H new ATOM 0 HG21 ILE A 145 19.885 -3.276 0.894 1.00 9.29 H new ATOM 0 HG22 ILE A 145 18.631 -3.567 1.817 1.00 9.29 H new ATOM 0 HG23 ILE A 145 19.313 -4.748 1.012 1.00 9.29 H new ATOM 0 HD11 ILE A 145 20.222 -3.367 -2.910 1.00 13.21 H new ATOM 0 HD12 ILE A 145 19.570 -2.124 -2.176 1.00 13.21 H new ATOM 0 HD13 ILE A 145 20.614 -3.036 -1.411 1.00 13.21 H new ATOM 1105 N LYS A 146 15.092 -3.394 1.257 1.00 9.80 N ATOM 1106 CA LYS A 146 14.262 -3.184 2.424 1.00 11.46 C ATOM 1107 C LYS A 146 13.773 -4.529 2.991 1.00 11.78 C ATOM 1108 O LYS A 146 13.561 -4.672 4.217 1.00 11.06 O ATOM 1109 CB LYS A 146 13.074 -2.324 1.999 1.00 11.46 C ATOM 1110 CG LYS A 146 12.348 -1.734 3.159 1.00 15.03 C ATOM 1111 CD LYS A 146 11.065 -1.060 2.709 1.00 14.67 C ATOM 1112 CE LYS A 146 10.383 -0.511 3.952 1.00 17.85 C ATOM 1113 NZ LYS A 146 8.997 -0.037 3.708 1.00 19.42 N ATOM 0 H LYS A 146 14.830 -2.963 0.561 1.00 9.80 H new ATOM 0 HA LYS A 146 14.770 -2.741 3.121 1.00 11.46 H new ATOM 0 HB2 LYS A 146 13.386 -1.611 1.421 1.00 11.46 H new ATOM 0 HB3 LYS A 146 12.459 -2.863 1.478 1.00 11.46 H new ATOM 0 HG2 LYS A 146 12.144 -2.428 3.805 1.00 15.03 H new ATOM 0 HG3 LYS A 146 12.917 -1.089 3.607 1.00 15.03 H new ATOM 0 HD2 LYS A 146 11.256 -0.346 2.080 1.00 14.67 H new ATOM 0 HD3 LYS A 146 10.488 -1.693 2.253 1.00 14.67 H new ATOM 0 HE2 LYS A 146 10.366 -1.201 4.634 1.00 17.85 H new ATOM 0 HE3 LYS A 146 10.911 0.223 4.304 1.00 17.85 H new ATOM 0 HZ1 LYS A 146 8.651 0.272 4.467 1.00 19.42 H new ATOM 0 HZ2 LYS A 146 9.008 0.614 3.101 1.00 19.42 H new ATOM 0 HZ3 LYS A 146 8.500 -0.712 3.409 1.00 19.42 H new ATOM 1114 N GLU A 147 13.603 -5.516 2.099 1.00 10.61 N ATOM 1115 CA GLU A 147 13.016 -6.797 2.461 1.00 11.14 C ATOM 1116 C GLU A 147 14.051 -7.884 2.711 1.00 10.63 C ATOM 1117 O GLU A 147 13.697 -9.058 2.890 1.00 9.17 O ATOM 1118 CB GLU A 147 12.034 -7.269 1.365 1.00 11.62 C ATOM 1119 CG GLU A 147 10.984 -6.240 0.953 1.00 16.46 C ATOM 1120 CD GLU A 147 9.842 -6.126 1.945 1.00 21.93 C ATOM 1121 OE1 GLU A 147 10.107 -5.950 3.163 1.00 26.71 O ATOM 1122 OE2 GLU A 147 8.666 -6.217 1.506 1.00 27.05 O ATOM 0 H GLU A 147 13.827 -5.454 1.271 1.00 10.61 H new ATOM 0 HA GLU A 147 12.544 -6.650 3.296 1.00 11.14 H new ATOM 0 HB2 GLU A 147 12.544 -7.523 0.580 1.00 11.62 H new ATOM 0 HB3 GLU A 147 11.580 -8.067 1.678 1.00 11.62 H new ATOM 0 HG2 GLU A 147 11.409 -5.373 0.856 1.00 16.46 H new ATOM 0 HG3 GLU A 147 10.627 -6.480 0.083 1.00 16.46 H new ATOM 1123 N ASP A 148 15.327 -7.489 2.761 1.00 9.57 N ATOM 1124 CA ASP A 148 16.405 -8.461 2.917 1.00 9.92 C ATOM 1125 C ASP A 148 16.256 -9.183 4.264 1.00 9.43 C ATOM 1126 O ASP A 148 15.835 -8.568 5.250 1.00 10.28 O ATOM 1127 CB ASP A 148 17.778 -7.750 2.872 1.00 9.65 C ATOM 1128 CG ASP A 148 18.930 -8.741 2.666 1.00 11.44 C ATOM 1129 OD1 ASP A 148 19.381 -9.318 3.662 1.00 10.97 O ATOM 1130 OD2 ASP A 148 19.378 -9.068 1.547 1.00 12.72 O ATOM 0 H ASP A 148 15.584 -6.670 2.707 1.00 9.57 H new ATOM 0 HA ASP A 148 16.354 -9.103 2.191 1.00 9.92 H new ATOM 0 HB2 ASP A 148 17.781 -7.098 2.154 1.00 9.65 H new ATOM 0 HB3 ASP A 148 17.916 -7.262 3.699 1.00 9.65 H new ATOM 1131 N ASN A 149 16.618 -10.468 4.300 1.00 9.62 N ATOM 1132 CA ASN A 149 16.565 -11.237 5.558 1.00 9.75 C ATOM 1133 C ASN A 149 17.406 -10.619 6.658 1.00 8.86 C ATOM 1134 O ASN A 149 17.164 -10.857 7.847 1.00 8.76 O ATOM 1135 CB ASN A 149 16.964 -12.691 5.337 1.00 10.57 C ATOM 1136 CG ASN A 149 15.859 -13.497 4.720 1.00 14.78 C ATOM 1137 OD1 ASN A 149 14.685 -13.079 4.718 1.00 17.45 O ATOM 1138 ND2 ASN A 149 16.215 -14.649 4.167 1.00 15.20 N ATOM 0 H ASN A 149 16.895 -10.913 3.618 1.00 9.62 H new ATOM 0 HA ASN A 149 15.641 -11.210 5.853 1.00 9.75 H new ATOM 0 HB2 ASN A 149 17.746 -12.726 4.764 1.00 10.57 H new ATOM 0 HB3 ASN A 149 17.216 -13.088 6.186 1.00 10.57 H new ATOM 0 HD21 ASN A 149 15.624 -15.144 3.785 1.00 15.20 H new ATOM 0 HD22 ASN A 149 17.037 -14.901 4.190 1.00 15.20 H new ATOM 1139 N PHE A 150 18.404 -9.826 6.271 1.00 8.51 N ATOM 1140 CA PHE A 150 19.212 -9.069 7.248 1.00 8.12 C ATOM 1141 C PHE A 150 18.295 -8.366 8.253 1.00 9.03 C ATOM 1142 O PHE A 150 18.573 -8.341 9.458 1.00 8.82 O ATOM 1143 CB PHE A 150 20.082 -8.011 6.500 1.00 7.58 C ATOM 1144 CG PHE A 150 20.863 -7.093 7.404 1.00 8.47 C ATOM 1145 CD1 PHE A 150 22.031 -7.511 8.017 1.00 6.86 C ATOM 1146 CD2 PHE A 150 20.428 -5.770 7.613 1.00 7.73 C ATOM 1147 CE1 PHE A 150 22.762 -6.626 8.849 1.00 7.57 C ATOM 1148 CE2 PHE A 150 21.144 -4.885 8.427 1.00 8.92 C ATOM 1149 CZ PHE A 150 22.294 -5.309 9.053 1.00 9.23 C ATOM 0 H PHE A 150 18.634 -9.708 5.451 1.00 8.51 H new ATOM 0 HA PHE A 150 19.791 -9.684 7.725 1.00 8.12 H new ATOM 0 HB2 PHE A 150 20.702 -8.474 5.915 1.00 7.58 H new ATOM 0 HB3 PHE A 150 19.504 -7.475 5.935 1.00 7.58 H new ATOM 0 HD1 PHE A 150 22.339 -8.378 7.882 1.00 6.86 H new ATOM 0 HD2 PHE A 150 19.647 -5.478 7.201 1.00 7.73 H new ATOM 0 HE1 PHE A 150 23.547 -6.911 9.259 1.00 7.57 H new ATOM 0 HE2 PHE A 150 20.844 -4.013 8.545 1.00 8.92 H new ATOM 0 HZ PHE A 150 22.762 -4.729 9.609 1.00 9.23 H new ATOM 1150 N PHE A 151 17.223 -7.747 7.741 1.00 10.29 N ATOM 1151 CA PHE A 151 16.348 -6.991 8.606 1.00 12.92 C ATOM 1152 C PHE A 151 15.320 -7.853 9.308 1.00 16.53 C ATOM 1153 O PHE A 151 14.794 -7.453 10.344 1.00 16.80 O ATOM 1154 CB PHE A 151 15.640 -5.912 7.802 1.00 12.43 C ATOM 1155 CG PHE A 151 16.543 -4.836 7.350 1.00 8.14 C ATOM 1156 CD1 PHE A 151 17.116 -3.961 8.266 1.00 7.71 C ATOM 1157 CD2 PHE A 151 16.823 -4.678 5.984 1.00 8.89 C ATOM 1158 CE1 PHE A 151 17.973 -2.951 7.833 1.00 7.79 C ATOM 1159 CE2 PHE A 151 17.686 -3.661 5.532 1.00 7.50 C ATOM 1160 CZ PHE A 151 18.261 -2.797 6.450 1.00 7.68 C ATOM 0 H PHE A 151 16.998 -7.759 6.911 1.00 10.29 H new ATOM 0 HA PHE A 151 16.906 -6.594 9.293 1.00 12.92 H new ATOM 0 HB2 PHE A 151 15.218 -6.318 7.029 1.00 12.43 H new ATOM 0 HB3 PHE A 151 14.932 -5.527 8.342 1.00 12.43 H new ATOM 0 HD1 PHE A 151 16.926 -4.050 9.172 1.00 7.71 H new ATOM 0 HD2 PHE A 151 16.432 -5.254 5.367 1.00 8.89 H new ATOM 0 HE1 PHE A 151 18.359 -2.375 8.453 1.00 7.79 H new ATOM 0 HE2 PHE A 151 17.868 -3.570 4.625 1.00 7.50 H new ATOM 0 HZ PHE A 151 18.832 -2.121 6.163 1.00 7.68 H new ATOM 1161 N GLN A 152 15.028 -9.008 8.732 1.00 20.00 N ATOM 1162 CA GLN A 152 14.085 -9.950 9.332 1.00 24.32 C ATOM 1163 C GLN A 152 14.654 -10.665 10.569 1.00 26.10 C ATOM 1164 O GLN A 152 13.908 -10.964 11.496 1.00 26.43 O ATOM 1165 CB GLN A 152 13.551 -10.917 8.273 1.00 24.98 C ATOM 1166 CG GLN A 152 12.222 -10.438 7.633 1.00 28.45 C ATOM 1167 CD GLN A 152 12.224 -10.466 6.102 1.00 33.83 C ATOM 1168 OE1 GLN A 152 11.554 -9.647 5.452 1.00 36.39 O ATOM 1169 NE2 GLN A 152 12.959 -11.413 5.523 1.00 35.70 N ATOM 0 H GLN A 152 15.366 -9.271 7.986 1.00 20.00 H new ATOM 0 HA GLN A 152 13.332 -9.439 9.669 1.00 24.32 H new ATOM 0 HB2 GLN A 152 14.218 -11.028 7.577 1.00 24.98 H new ATOM 0 HB3 GLN A 152 13.415 -11.788 8.677 1.00 24.98 H new ATOM 0 HG2 GLN A 152 11.498 -10.996 7.957 1.00 28.45 H new ATOM 0 HG3 GLN A 152 12.038 -9.533 7.931 1.00 28.45 H new ATOM 0 HE21 GLN A 152 13.410 -11.963 6.006 1.00 35.70 H new ATOM 0 HE22 GLN A 152 12.983 -11.475 4.666 1.00 35.70 H new ATOM 1170 N VAL A 153 15.968 -10.895 10.618 1.00 28.08 N ATOM 1171 CA VAL A 153 16.558 -11.506 11.814 1.00 29.92 C ATOM 1172 C VAL A 153 16.297 -10.657 13.051 1.00 31.30 C ATOM 1173 O VAL A 153 15.956 -11.186 14.112 1.00 31.27 O ATOM 1174 CB VAL A 153 18.084 -11.900 11.699 1.00 30.15 C ATOM 1175 CG1 VAL A 153 18.668 -11.591 10.354 1.00 30.15 C ATOM 1176 CG2 VAL A 153 18.937 -11.279 12.830 1.00 30.12 C ATOM 0 H VAL A 153 16.523 -10.711 9.988 1.00 28.08 H new ATOM 0 HA VAL A 153 16.098 -12.356 11.903 1.00 29.92 H new ATOM 0 HB VAL A 153 18.112 -12.864 11.804 1.00 30.15 H new ATOM 0 HG11 VAL A 153 19.602 -11.852 10.339 1.00 30.15 H new ATOM 0 HG12 VAL A 153 18.185 -12.081 9.671 1.00 30.15 H new ATOM 0 HG13 VAL A 153 18.596 -10.639 10.180 1.00 30.15 H new ATOM 0 HG21 VAL A 153 19.863 -11.546 12.721 1.00 30.12 H new ATOM 0 HG22 VAL A 153 18.873 -10.312 12.790 1.00 30.12 H new ATOM 0 HG23 VAL A 153 18.611 -11.589 13.689 1.00 30.12 H new ATOM 1177 N SER A 154 16.408 -9.339 12.895 1.00 32.86 N ATOM 1178 CA SER A 154 16.256 -8.420 14.019 1.00 34.24 C ATOM 1179 C SER A 154 14.799 -8.232 14.483 1.00 35.23 C ATOM 1180 O SER A 154 14.569 -7.624 15.536 1.00 35.53 O ATOM 1181 CB SER A 154 16.925 -7.071 13.716 1.00 34.13 C ATOM 1182 OG SER A 154 17.420 -7.029 12.386 1.00 34.36 O ATOM 0 H SER A 154 16.572 -8.956 12.142 1.00 32.86 H new ATOM 0 HA SER A 154 16.712 -8.836 14.767 1.00 34.24 H new ATOM 0 HB2 SER A 154 16.286 -6.353 13.848 1.00 34.13 H new ATOM 0 HB3 SER A 154 17.653 -6.921 14.339 1.00 34.13 H new ATOM 0 HG SER A 154 17.779 -6.283 12.244 1.00 34.36 H new ATOM 1183 N LYS A 155 13.830 -8.741 13.708 1.00 36.35 N ATOM 1184 CA LYS A 155 12.442 -8.912 14.202 1.00 37.08 C ATOM 1185 C LYS A 155 12.066 -10.380 14.512 1.00 37.50 C ATOM 1186 O LYS A 155 11.807 -10.815 15.644 1.00 37.71 O ATOM 1187 CB LYS A 155 11.391 -8.263 13.278 1.00 37.27 C ATOM 1188 CG LYS A 155 11.878 -7.778 11.911 1.00 37.28 C ATOM 1189 CD LYS A 155 11.757 -6.266 11.784 1.00 37.26 C ATOM 1190 CE LYS A 155 10.558 -5.847 10.943 1.00 36.81 C ATOM 1191 NZ LYS A 155 10.922 -5.586 9.521 1.00 35.44 N ATOM 1192 OXT LYS A 155 11.986 -11.292 13.685 1.00 37.78 O ATOM 0 H LYS A 155 13.950 -8.994 12.895 1.00 36.35 H new ATOM 0 HA LYS A 155 12.429 -8.435 15.047 1.00 37.08 H new ATOM 0 HB2 LYS A 155 10.678 -8.904 13.134 1.00 37.27 H new ATOM 0 HB3 LYS A 155 11.003 -7.507 13.746 1.00 37.27 H new ATOM 0 HG2 LYS A 155 12.802 -8.042 11.782 1.00 37.28 H new ATOM 0 HG3 LYS A 155 11.361 -8.206 11.211 1.00 37.28 H new ATOM 0 HD2 LYS A 155 11.681 -5.875 12.668 1.00 37.26 H new ATOM 0 HD3 LYS A 155 12.568 -5.912 11.386 1.00 37.26 H new ATOM 0 HE2 LYS A 155 9.883 -6.542 10.979 1.00 36.81 H new ATOM 0 HE3 LYS A 155 10.162 -5.048 11.325 1.00 36.81 H new ATOM 0 HZ1 LYS A 155 10.195 -5.345 9.068 1.00 35.44 H new ATOM 0 HZ2 LYS A 155 11.525 -4.932 9.484 1.00 35.44 H new ATOM 0 HZ3 LYS A 155 11.264 -6.325 9.161 1.00 35.44 H new TER 1193 LYS A 155 HETATM 1194 MG MG A 201 25.099 12.657 15.712 1.00 18.88 MG HETATM 1195 PB ADP A 301 25.080 12.260 18.932 1.00 19.24 P HETATM 1196 O1B ADP A 301 25.722 12.236 17.603 1.00 19.90 O HETATM 1197 O2B ADP A 301 24.539 10.932 19.427 1.00 21.39 O HETATM 1198 O3B ADP A 301 26.106 12.831 19.890 1.00 18.86 O HETATM 1199 PA ADP A 301 22.792 13.701 17.804 1.00 18.60 P HETATM 1200 O1A ADP A 301 22.345 15.118 18.143 1.00 19.48 O HETATM 1201 O2A ADP A 301 23.367 13.525 16.391 1.00 18.31 O HETATM 1202 O3A ADP A 301 23.850 13.290 18.907 1.00 17.71 O HETATM 1203 O5' ADP A 301 21.559 12.777 18.013 1.00 17.27 O HETATM 1204 C5' ADP A 301 21.634 11.386 17.674 1.00 17.43 C HETATM 1205 C4' ADP A 301 20.602 10.598 18.446 1.00 19.27 C HETATM 1206 O4' ADP A 301 19.309 10.937 18.025 1.00 19.03 O HETATM 1207 C3' ADP A 301 20.680 9.083 18.137 1.00 19.35 C HETATM 1208 O3' ADP A 301 21.592 8.378 18.969 1.00 19.52 O HETATM 1209 C2' ADP A 301 19.260 8.628 18.447 1.00 19.54 C HETATM 1210 O2' ADP A 301 19.126 8.298 19.827 1.00 21.97 O HETATM 1211 C1' ADP A 301 18.399 9.859 18.217 1.00 19.07 C HETATM 1212 N9 ADP A 301 17.532 9.876 17.029 1.00 20.07 N HETATM 1213 C8 ADP A 301 16.188 10.183 17.056 1.00 21.95 C HETATM 1214 N7 ADP A 301 15.710 10.179 15.809 1.00 19.80 N HETATM 1215 C5 ADP A 301 16.742 9.867 14.956 1.00 18.11 C HETATM 1216 C6 ADP A 301 16.794 9.713 13.572 1.00 19.96 C HETATM 1217 N6 ADP A 301 15.783 10.032 12.776 1.00 18.29 N HETATM 1218 N1 ADP A 301 18.031 9.377 13.006 1.00 17.35 N HETATM 1219 C2 ADP A 301 19.140 9.231 13.806 1.00 17.78 C HETATM 1220 N3 ADP A 301 19.086 9.350 15.170 1.00 16.90 N HETATM 1221 C4 ADP A 301 17.884 9.681 15.723 1.00 19.33 C HETATM 0 HO3' ADP A 301 21.772 8.843 19.645 1.00 19.52 H new HETATM 0 HO2' ADP A 301 19.880 8.109 20.145 1.00 21.97 H new HETATM 0 HN62 ADP A 301 15.854 9.922 11.926 1.00 18.29 H new HETATM 0 HN61 ADP A 301 15.056 10.349 13.110 1.00 18.29 H new HETATM 0 H5'2 ADP A 301 21.491 11.271 16.722 1.00 17.43 H new HETATM 0 H5'1 ADP A 301 22.521 11.047 17.870 1.00 17.43 H new HETATM 0 H8 ADP A 301 15.671 10.372 17.855 1.00 21.95 H new HETATM 0 H4' ADP A 301 20.777 10.797 19.379 1.00 19.27 H new HETATM 0 H3' ADP A 301 20.992 8.915 17.234 1.00 19.35 H new HETATM 0 H2' ADP A 301 19.021 7.858 17.908 1.00 19.54 H new HETATM 0 H2 ADP A 301 19.994 9.036 13.388 1.00 17.78 H new HETATM 0 H1' ADP A 301 17.803 9.899 18.982 1.00 19.07 H new HETATM 1222 O HOH A 401 24.222 8.602 18.298 1.00 18.15 O HETATM 1223 O HOH A 402 26.822 11.860 14.876 1.00 16.59 O HETATM 1224 O HOH A 403 26.036 5.173 12.104 1.00 19.11 O HETATM 1225 O HOH A 404 28.077 -2.412 18.838 1.00 23.78 O HETATM 1226 O HOH A 405 13.268 1.113 13.143 1.00 22.30 O HETATM 1227 O HOH A 406 13.471 11.623 14.926 1.00 24.71 O HETATM 1228 O HOH A 407 22.116 32.098 7.286 1.00 25.95 O HETATM 1229 O HOH A 408 26.014 14.591 15.766 1.00 19.96 O HETATM 1230 O HOH A 409 10.278 8.229 1.126 1.00 31.17 O HETATM 1231 O HOH A 410 31.993 7.088 13.987 1.00 26.90 O HETATM 1232 O HOH A 411 11.891 6.360 5.469 1.00 27.71 O HETATM 1233 O HOH A 412 28.259 -6.562 4.050 1.00 26.82 O HETATM 1234 O HOH A 413 12.489 13.296 -1.954 1.00 29.08 O HETATM 1235 O HOH A 414 23.432 17.956 -1.371 1.00 27.23 O HETATM 1236 O HOH A 415 24.223 14.790 4.482 1.00 32.22 O HETATM 1237 O HOH A 416 21.389 13.345 21.987 1.00 34.02 O HETATM 1238 O HOH A 417 18.348 23.164 10.613 1.00 31.79 O HETATM 1239 O HOH A 418 24.412 30.673 8.197 1.00 32.82 O HETATM 1240 O HOH A 419 34.929 12.263 -0.290 1.00 29.18 O HETATM 1241 O HOH A 420 18.096 21.715 -0.058 1.00 32.46 O HETATM 1242 O HOH A 421 25.205 4.068 24.127 1.00 32.15 O HETATM 1243 O HOH A 422 27.600 14.558 18.519 1.00 28.10 O HETATM 1244 O HOH A 423 30.231 16.834 2.832 1.00 28.99 O HETATM 1245 O HOH A 424 30.920 10.771 9.512 1.00 28.40 O HETATM 1246 O HOH A 425 27.097 15.282 13.462 1.00 31.55 O HETATM 1247 O HOH A 426 22.485 15.697 20.801 1.00 29.43 O HETATM 1248 O HOH A 427 38.491 3.531 10.574 1.00 31.96 O HETATM 1249 O HOH A 428 30.584 9.461 14.599 1.00 25.61 O HETATM 1250 O HOH A 429 30.679 8.489 18.856 1.00 31.77 O HETATM 1251 O HOH A 430 16.715 15.449 -5.371 1.00 32.00 O HETATM 1252 O HOH A 431 15.018 17.107 3.467 1.00 39.66 O HETATM 1253 O HOH A 432 18.137 6.639 24.681 1.00 33.54 O HETATM 1254 O HOH A 433 11.438 8.549 3.895 1.00 33.73 O HETATM 1255 O HOH A 434 25.540 10.639 -7.200 1.00 29.74 O HETATM 1256 O HOH A 435 23.893 -1.876 -3.606 1.00 31.30 O HETATM 1257 O HOH A 436 23.466 6.090 -6.511 1.00 34.83 O HETATM 1258 O HOH A 437 30.066 7.680 23.394 1.00 30.79 O HETATM 1259 O HOH A 438 14.649 13.459 7.737 1.00 33.07 O HETATM 1260 O HOH A 439 27.163 25.373 23.286 1.00 31.93 O HETATM 1261 O HOH A 440 24.802 18.674 22.371 1.00 38.73 O HETATM 1262 O HOH A 441 16.279 -0.310 -10.217 1.00 41.59 O HETATM 1263 O HOH A 442 17.745 -6.326 -8.619 1.00 48.18 O HETATM 1264 O HOH A 443 15.481 -8.504 -0.520 1.00 38.82 O HETATM 1265 O HOH A 444 21.707 19.364 -2.098 1.00 36.09 O HETATM 1266 O HOH A 445 24.178 11.232 8.126 1.00 31.82 O HETATM 1267 O HOH A 446 18.457 -7.992 -0.736 1.00 36.04 O HETATM 1268 O HOH A 447 31.544 12.788 17.677 1.00 31.58 O HETATM 1269 O HOH A 448 14.356 -4.574 12.809 1.00 36.24 O HETATM 1270 O HOH A 449 37.212 23.098 -1.240 1.00 39.73 O HETATM 1271 O HOH A 450 9.819 -2.901 7.765 1.00 26.85 O HETATM 1272 O HOH A 451 17.397 -4.485 -10.979 1.00 45.94 O HETATM 1273 O HOH A 452 28.417 20.530 -5.527 1.00 29.76 O HETATM 1274 O HOH A 453 14.272 10.056 24.590 1.00 38.99 O HETATM 1275 O HOH A 454 9.360 5.969 17.877 1.00 50.20 O HETATM 1276 O HOH A 455 34.239 -0.526 19.463 1.00 32.16 O HETATM 1277 O HOH A 456 8.644 5.190 15.723 1.00 43.91 O HETATM 1278 O HOH A 457 17.872 17.163 -3.473 1.00 34.17 O HETATM 1279 O HOH A 458 8.071 9.670 10.556 1.00 31.85 O HETATM 1280 O HOH A 459 11.058 -4.638 5.708 1.00 39.09 O HETATM 1281 O HOH A 460 37.391 2.122 8.498 1.00 43.45 O HETATM 1282 O HOH A 461 30.965 12.639 4.655 1.00 43.01 O HETATM 1283 O HOH A 462 11.572 1.848 15.066 1.00 40.94 O HETATM 1284 O HOH A 463 8.698 6.841 8.317 1.00 40.63 O HETATM 1285 O HOH A 464 19.972 13.049 -9.433 1.00 38.01 O HETATM 1286 O HOH A 465 12.774 7.901 -7.875 1.00 43.77 O HETATM 1287 O HOH A 466 28.457 13.037 24.535 1.00 29.61 O HETATM 1288 O HOH A 467 31.870 4.459 -3.685 1.00 45.77 O HETATM 1289 O HOH A 468 12.870 5.230 19.975 1.00 49.60 O HETATM 1290 O HOH A 469 26.822 6.162 24.323 1.00 32.98 O HETATM 1291 O HOH A 470 22.884 13.644 7.771 1.00 44.46 O HETATM 1292 O HOH A 471 38.006 8.459 0.685 1.00 46.96 O HETATM 1293 O HOH A 472 36.698 5.273 13.965 1.00 36.03 O HETATM 1294 O HOH A 473 22.820 15.942 10.230 1.00 33.64 O HETATM 1295 O HOH A 474 10.269 11.711 -1.979 1.00 43.72 O HETATM 1296 O HOH A 475 21.991 22.358 -1.185 1.00 38.81 O HETATM 1297 O HOH A 476 22.941 -1.985 24.664 1.00 38.06 O HETATM 1298 O HOH A 477 25.403 16.372 10.743 1.00 36.41 O HETATM 1299 O HOH A 478 17.410 3.713 24.470 1.00 42.63 O HETATM 1300 O HOH A 479 25.959 3.980 -5.910 1.00 33.76 O HETATM 1301 O HOH A 480 25.945 19.416 14.797 1.00 38.18 O HETATM 1302 O HOH A 481 31.667 6.030 18.441 1.00 39.74 O HETATM 1303 O HOH A 482 29.450 13.253 16.170 1.00 46.42 O HETATM 1304 O HOH A 483 29.863 5.625 14.033 1.00 34.53 O HETATM 1305 O HOH A 484 25.025 1.404 -5.642 1.00 45.71 O HETATM 1306 O HOH A 485 12.558 0.879 17.395 1.00 54.87 O HETATM 1307 O HOH A 486 14.250 13.309 12.601 1.00 39.01 O HETATM 1308 O HOH A 487 16.715 23.264 1.741 1.00 44.84 O HETATM 1309 O HOH A 488 37.926 1.929 6.084 1.00 40.68 O HETATM 1310 O HOH A 489 20.454 -6.624 -9.578 1.00 50.00 O HETATM 1311 O HOH A 490 9.998 3.025 4.982 1.00 51.26 O HETATM 1312 O HOH A 491 36.571 18.311 2.294 1.00 50.77 O HETATM 1313 O HOH A 492 13.926 12.423 18.300 1.00 45.58 O HETATM 1314 O HOH A 493 7.412 2.393 -2.804 1.00 50.88 O HETATM 1315 O HOH A 494 36.118 13.850 6.774 1.00 37.13 O HETATM 1316 O HOH A 495 8.793 2.590 -6.024 1.00 46.36 O HETATM 1317 O HOH A 496 8.748 -4.389 13.219 1.00 48.70 O HETATM 1318 O HOH A 497 8.794 0.225 6.798 1.00 41.18 O HETATM 1319 O HOH A 498 14.765 14.950 10.672 1.00 39.16 O HETATM 1320 O HOH A 499 6.915 2.274 10.115 1.00 42.79 O HETATM 1321 O HOH A 500 39.843 5.119 2.436 1.00 42.59 O HETATM 1322 O HOH A 501 14.015 15.830 6.324 1.00 45.93 O HETATM 1323 O HOH A 502 21.806 -10.184 0.998 1.00 37.44 O HETATM 1324 O HOH A 503 14.616 2.937 11.571 1.00 47.24 O HETATM 1325 O HOH A 504 42.714 6.323 1.773 1.00 55.52 O HETATM 1326 O HOH A 505 15.387 18.887 -2.563 1.00 38.71 O HETATM 1327 O HOH A 506 34.317 12.979 10.722 1.00 43.90 O HETATM 1328 O HOH A 507 12.835 12.858 10.520 1.00 56.03 O HETATM 1329 O HOH A 508 34.249 6.454 15.264 1.00 46.25 O HETATM 1330 O HOH A 509 27.641 29.912 9.159 1.00 45.02 O HETATM 1331 O HOH A 510 32.115 10.293 17.595 1.00 47.80 O HETATM 1332 O HOH A 511 37.045 13.090 2.441 1.00 46.64 O HETATM 1333 O HOH A 512 21.811 15.125 25.775 1.00 50.20 O HETATM 1334 O HOH A 513 10.130 1.953 13.399 1.00 41.33 O HETATM 1335 O HOH A 514 41.575 9.983 9.962 1.00 50.52 O HETATM 1336 O HOH A 515 21.954 6.145 27.417 1.00 41.50 O HETATM 1337 O HOH A 516 41.430 0.728 15.222 1.00 48.03 O HETATM 1338 O HOH A 517 10.663 -3.436 -0.882 1.00 44.32 O HETATM 1339 O HOH A 518 30.083 20.689 17.560 1.00 42.94 O HETATM 1340 O HOH A 519 8.901 0.155 13.895 1.00 41.70 O HETATM 1341 O HOH A 520 29.761 12.588 11.191 1.00 54.16 O HETATM 1342 O HOH A 521 26.970 8.285 -7.211 1.00 46.12 O HETATM 1343 O HOH A 522 34.104 21.385 -1.706 1.00 45.80 O HETATM 1344 O HOH A 523 20.307 33.245 1.755 1.00 47.94 O HETATM 1345 O HOH A 524 15.888 19.919 -0.167 1.00 39.95 O HETATM 1346 O HOH A 525 29.161 0.821 23.764 1.00 58.74 O HETATM 1347 O HOH A 526 28.489 -1.348 21.680 1.00 50.03 O HETATM 1348 O HOH A 527 28.228 16.818 4.247 1.00 43.57 O HETATM 1349 O HOH A 528 9.718 4.780 6.541 1.00 42.73 O HETATM 1350 O HOH A 529 30.997 -7.913 6.393 1.00 42.15 O HETATM 1351 O HOH A 530 22.642 -11.484 11.180 1.00 40.69 O CONECT 207 1194 CONECT 209 1194 CONECT 1194 207 209 1196 1201 CONECT 1194 1223 1229 CONECT 1195 1196 1197 1198 1202 CONECT 1196 1194 1195 CONECT 1197 1195 CONECT 1198 1195 CONECT 1199 1200 1201 1202 1203 CONECT 1200 1199 CONECT 1201 1194 1199 CONECT 1202 1195 1199 CONECT 1203 1199 1204 CONECT 1204 1203 1205 CONECT 1205 1204 1206 1207 CONECT 1206 1205 1211 CONECT 1207 1205 1208 1209 CONECT 1208 1207 CONECT 1209 1207 1210 1211 CONECT 1210 1209 CONECT 1211 1206 1209 1212 CONECT 1212 1211 1213 1221 CONECT 1213 1212 1214 CONECT 1214 1213 1215 CONECT 1215 1214 1216 1221 CONECT 1216 1215 1217 1218 CONECT 1217 1216 CONECT 1218 1216 1219 CONECT 1219 1218 1220 CONECT 1220 1219 1221 CONECT 1221 1212 1215 1220 CONECT 1223 1194 CONECT 1229 1194 END