USER MOD reduce.3.24.130724 H: found=0, std=0, add=1242, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 02-DEC-02 1NB9 TITLE CRYSTAL STRUCTURE OF 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 GENE: FLJ11149; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PPROEX-HTA KEYWDS TRANSFERASE, BETA BARREL, RIBOFLAVIN, RIBOFLAVIN KINASE EXPDTA X-RAY DIFFRACTION AUTHOR S.KARTHIKEYAN,Q.ZHOU,F.MSEEH,N.V.GRISHIN,A.L.OSTERMAN,H.ZHANG REVDAT 3 13-JUL-11 1NB9 1 VERSN REVDAT 2 24-FEB-09 1NB9 1 VERSN REVDAT 1 11-MAR-03 1NB9 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 (%) : 97.6 REMARK 3 NUMBER OF REFLECTIONS : 16284 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) : 0.185 REMARK 3 R VALUE (WORKING SET) : 0.184 REMARK 3 FREE R VALUE : 0.206 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 866 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) : 1067 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.3010 REMARK 3 BIN FREE R VALUE SET COUNT : 59 REMARK 3 BIN FREE R VALUE : 0.3190 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 : 55 REMARK 3 SOLVENT ATOMS : 118 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 26.84 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 20.83 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.29000 REMARK 3 B22 (A**2) : 0.29000 REMARK 3 B33 (A**2) : -0.44000 REMARK 3 B12 (A**2) : 0.15000 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): 0.114 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.104 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.068 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.024 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.961 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.959 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1291 ; 0.016 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1751 ; 1.725 ; 2.003 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 146 ; 6.097 ; 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): 183 ; 0.117 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 964 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 544 ; 0.214 ; 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): 113 ; 0.153 ; 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): 47 ; 0.195 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 12 ; 0.168 ; 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): 732 ; 1.002 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1188 ; 1.799 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 559 ; 2.536 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 563 ; 4.104 ; 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): -6.3140 23.8390 33.4110 REMARK 3 T TENSOR REMARK 3 T11: 0.0129 T22: 0.0680 REMARK 3 T33: 0.0408 T12: 0.0165 REMARK 3 T13: 0.0002 T23: 0.0088 REMARK 3 L TENSOR REMARK 3 L11: 1.9446 L22: 0.7347 REMARK 3 L33: 1.5882 L12: 0.5016 REMARK 3 L13: 0.6070 L23: 0.1609 REMARK 3 S TENSOR REMARK 3 S11: 0.0070 S12: 0.0133 S13: -0.0097 REMARK 3 S21: 0.0281 S22: 0.0289 S23: 0.0125 REMARK 3 S31: -0.0074 S32: -0.0652 S33: -0.0359 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 1NB9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-DEC-02. REMARK 100 THE RCSB ID CODE IS RCSB017737. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-SEP-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) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH3R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : MIRRORS REMARK 200 OPTICS : OSMIC MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17163 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 (%) : 97.5 REMARK 200 DATA REDUNDANCY : 7.200 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.03000 REMARK 200 FOR THE DATA SET : 42.2000 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 (%) : 90.3 REMARK 200 DATA REDUNDANCY IN SHELL : 3.40 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.26300 REMARK 200 FOR SHELL : 5.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 1NB0 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 38.18 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.01 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 27.50033 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 55.00067 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 55.00067 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 27.50033 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: 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 -137.35 62.01 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 ADP A 301 O1B 96.1 REMARK 620 3 HOH A 502 O 91.1 90.5 REMARK 620 4 ADP A 301 O2A 89.6 93.8 175.6 REMARK 620 5 THR A 34 OG1 85.0 178.0 87.8 87.9 REMARK 620 6 HOH A 568 O 171.3 92.1 91.7 87.0 87.0 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 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE RBF A 401 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NB0 RELATED DB: PDB REMARK 900 RELATED ID: 1NBG RELATED DB: PDB DBREF 1NB9 A 9 155 UNP Q969G6 RIFK_HUMAN 9 155 SEQADV 1NB9 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 HET RBF A 401 27 HETNAM MG MAGNESIUM ION HETNAM ADP ADENOSINE-5'-DIPHOSPHATE HETNAM RBF RIBOFLAVIN HETSYN RBF RIBOFLAVINE; VITAMIN B2 FORMUL 2 MG MG 2+ FORMUL 3 ADP C10 H15 N5 O10 P2 FORMUL 4 RBF C17 H20 N4 O6 FORMUL 5 HOH *118(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 VAL A 153 1 6 SHEET 1 A 6 TYR A 13 GLN A 18 0 SHEET 2 A 6 ILE A 101 ARG A 111 -1 O VAL A 104 N CYS A 15 SHEET 3 A 6 GLY A 52 VAL A 60 -1 N ILE A 53 O LEU A 110 SHEET 4 A 6 HIS A 66 TRP A 74 -1 O ILE A 72 N GLY A 52 SHEET 5 A 6 LYS A 83 ILE A 89 -1 O GLU A 86 N SER A 71 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 2.16 LINK MG MG A 201 O1B ADP A 301 1555 1555 2.06 LINK MG MG A 201 O HOH A 502 1555 1555 2.11 LINK MG MG A 201 O2A ADP A 301 1555 1555 2.00 LINK MG MG A 201 OG1 THR A 34 1555 1555 2.16 LINK MG MG A 201 O HOH A 568 1555 1555 2.08 CISPEP 1 LEU A 11 PRO A 12 0 -0.38 SITE *** AC1 4 THR A 34 ADP A 301 HOH A 502 HOH A 568 SITE *** AC2 24 VAL A 19 ARG A 21 GLY A 22 GLY A 26 SITE *** AC2 24 SER A 27 LYS A 28 PRO A 33 THR A 34 SITE *** AC2 24 ASN A 36 THR A 87 ILE A 89 HIS A 91 SITE *** AC2 24 PHE A 93 ASP A 96 PHE A 97 TYR A 98 SITE *** AC2 24 MG A 201 HOH A 501 HOH A 502 HOH A 508 SITE *** AC2 24 HOH A 509 HOH A 518 HOH A 523 HOH A 568 SITE *** AC3 11 THR A 34 ILE A 53 VAL A 69 GLU A 86 SITE *** AC3 11 ARG A 111 LYS A 114 PHE A 116 LEU A 122 SITE *** AC3 11 ASP A 129 HOH A 548 HOH A 568 CRYST1 56.957 56.957 82.501 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 0.017557 0.010137 0.000000 0.00000 SCALE2 0.000000 0.020273 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012121 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= -0.13 K(o=-0.22,f=-1.9!) USER MOD Set 1.2: A 152 GLN :FLIP amide:sc= -0.0861 F(o=-0.85,f=-0.22) USER MOD Set 2.1: A 118 SER OG : rot -26:sc= 0.224 USER MOD Set 2.2: A 121 SER OG A: rot 3:sc= 0.337 USER MOD Set 2.3: A 121 SER OG B: rot 180:sc= 0 USER MOD Set 3.1: A 59 SER OG : rot -95:sc= 0.735 USER MOD Set 3.2: A 103 ASN : amide:sc= 0.464 K(o=1.2,f=-1.1!) USER MOD Set 4.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 54 TYR OH : rot 11:sc= 1.31 USER MOD Single : A 10 HIS : no HE2:sc= -2.03! C(o=-2!,f=-7.6!) USER MOD Single : A 13 TYR OH : rot -169:sc= 1.38 USER MOD Single : A 15 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 18 GLN :FLIP amide:sc= 0.589 F(o=-0.39,f=0.59) USER MOD Single : A 27 SER OG : rot -118:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= -0.386! (180deg=-0.743!) USER MOD Single : A 29 GLN : amide:sc= -0.083 K(o=-0.083,f=-1.1) USER MOD Single : A 36 ASN : amide:sc= 3.16 K(o=3.2,f=1.3) USER MOD Single : A 40 GLN :FLIP amide:sc= 0.372 F(o=-0.49,f=0.37) USER MOD Single : A 44 ASN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 51 THR OG1 : rot 135:sc= 1.51 USER MOD Single : A 55 TYR OH : rot -29:sc= 1.61 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= 1.28 K(o=1.3,f=-3.9!) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 2.86 (180deg=2.82) USER MOD Single : A 68 MET CE :methyl 140:sc= -0.37 (180deg=-1.12) USER MOD Single : A 71 SER OG : rot -116:sc= 2.45 USER MOD Single : A 75 ASN : amide:sc= 0.43 K(o=0.43,f=-6.5!) 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 80 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.13) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0.507 (180deg=0.475) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG A: rot 85:sc= 0.979 USER MOD Single : A 84 SER OG B: rot 180:sc= 0 USER MOD Single : A 85 MET CE A:methyl 180:sc= -0.372 (180deg=-0.372) USER MOD Single : A 85 MET CE B:methyl 176:sc= -2.66! (180deg=-2.89!) USER MOD Single : A 87 THR OG1 : rot 89:sc= 0.307 USER MOD Single : A 88 HIS : +bothHN:sc= 2.04 K(o=2,f=-6.4!) USER MOD Single : A 90 MET CE :methyl -165:sc= 0 (180deg=-0.163) USER MOD Single : A 91 HIS : no HD1:sc= 1.27 K(o=1.3,f=-2.6!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= -0.333 (180deg=-1.35!) USER MOD Single : A 98 TYR OH : rot 31:sc= 2.6 USER MOD Single : A 109 TYR OH : rot 6:sc= 0.224 USER MOD Single : A 114 LYS NZ A:NH3+ 173:sc= 1.21 (180deg=1.08) USER MOD Single : A 114 LYS NZ B:NH3+ -128:sc= 0.684 (180deg=-0.446) USER MOD Single : A 115 ASN : amide:sc=-0.00268 X(o=-0.0027,f=-0.43) USER MOD Single : A 124 SER OG : rot 69:sc= 0.00252 USER MOD Single : A 127 GLN : amide:sc=-0.00494 K(o=-0.0049,f=-1.1) USER MOD Single : A 134 LYS NZ :NH3+ 175:sc= 0.552 (180deg=0.54) USER MOD Single : A 135 LYS NZ :NH3+ 158:sc= 0.954 (180deg=0.697) USER MOD Single : A 142 TYR OH : rot 180:sc= 0.98 USER MOD Single : A 144 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.23) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0.206 USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 301 ADP O2' : rot -17:sc= 0.716 USER MOD Single : A 301 ADP O3' : rot 18:sc= 1.62 USER MOD Single : A 401 RBF O2' : rot -122:sc= 0.489 USER MOD Single : A 401 RBF O3' : rot 115:sc= 1.31 USER MOD Single : A 401 RBF O4' : rot 180:sc= 0.811 USER MOD Single : A 401 RBF O5' : rot 77:sc= 1.5 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 9 -16.890 27.086 46.374 1.00 31.35 N ATOM 2 CA ARG A 9 -18.385 26.959 46.272 1.00 31.24 C ATOM 3 C ARG A 9 -18.828 25.996 45.169 1.00 30.91 C ATOM 4 O ARG A 9 -19.614 25.066 45.401 1.00 31.68 O ATOM 5 N HIS A 10 -18.349 26.231 43.954 1.00 29.31 N ATOM 6 CA HIS A 10 -18.764 25.396 42.835 1.00 28.29 C ATOM 7 C HIS A 10 -17.656 24.424 42.439 1.00 26.47 C ATOM 8 O HIS A 10 -17.570 24.051 41.275 1.00 26.91 O ATOM 9 CB HIS A 10 -19.210 26.237 41.617 1.00 28.54 C ATOM 10 CG HIS A 10 -20.640 26.694 41.684 1.00 30.09 C ATOM 11 ND1 HIS A 10 -21.006 27.916 42.208 1.00 32.18 N ATOM 12 CD2 HIS A 10 -21.790 26.093 41.291 1.00 30.59 C ATOM 13 CE1 HIS A 10 -22.319 28.051 42.133 1.00 32.22 C ATOM 14 NE2 HIS A 10 -22.820 26.956 41.586 1.00 32.96 N ATOM 0 H HIS A 10 -17.793 26.857 43.758 1.00 29.31 H new ATOM 0 HA HIS A 10 -19.533 24.885 43.132 1.00 28.29 H new ATOM 0 HB2 HIS A 10 -18.634 27.014 41.543 1.00 28.54 H new ATOM 0 HB3 HIS A 10 -19.084 25.714 40.810 1.00 28.54 H new ATOM 0 HD1 HIS A 10 -20.464 28.500 42.533 1.00 32.18 H new ATOM 0 HD2 HIS A 10 -21.868 25.255 40.896 1.00 30.59 H new ATOM 0 HE1 HIS A 10 -22.807 28.790 42.417 1.00 32.22 H new ATOM 15 N LEU A 11 -16.813 24.025 43.403 1.00 24.89 N ATOM 16 CA LEU A 11 -15.860 22.928 43.161 1.00 22.21 C ATOM 17 C LEU A 11 -16.337 21.603 43.784 1.00 22.20 C ATOM 18 O LEU A 11 -16.910 21.636 44.888 1.00 22.08 O ATOM 19 CB LEU A 11 -14.465 23.309 43.675 1.00 22.72 C ATOM 20 CG LEU A 11 -13.866 24.594 43.086 1.00 22.07 C ATOM 21 CD1 LEU A 11 -12.408 24.698 43.532 1.00 24.62 C ATOM 22 CD2 LEU A 11 -13.959 24.684 41.539 1.00 22.63 C ATOM 0 H LEU A 11 -16.776 24.369 44.190 1.00 24.89 H new ATOM 0 HA LEU A 11 -15.809 22.788 42.203 1.00 22.21 H new ATOM 0 HB2 LEU A 11 -14.509 23.405 44.639 1.00 22.72 H new ATOM 0 HB3 LEU A 11 -13.859 22.575 43.490 1.00 22.72 H new ATOM 0 HG LEU A 11 -14.392 25.337 43.421 1.00 22.07 H new ATOM 0 HD11 LEU A 11 -12.015 25.506 43.167 1.00 24.62 H new ATOM 0 HD12 LEU A 11 -12.367 24.728 44.501 1.00 24.62 H new ATOM 0 HD13 LEU A 11 -11.916 23.926 43.211 1.00 24.62 H new ATOM 0 HD21 LEU A 11 -13.563 25.517 41.239 1.00 22.63 H new ATOM 0 HD22 LEU A 11 -13.482 23.938 41.142 1.00 22.63 H new ATOM 0 HD23 LEU A 11 -14.890 24.653 41.268 1.00 22.63 H new ATOM 23 N PRO A 12 -16.119 20.452 43.117 1.00 20.04 N ATOM 24 CA PRO A 12 -15.454 20.356 41.808 1.00 18.26 C ATOM 25 C PRO A 12 -16.312 20.800 40.646 1.00 17.03 C ATOM 26 O PRO A 12 -17.546 20.563 40.620 1.00 16.39 O ATOM 27 CB PRO A 12 -15.179 18.846 41.662 1.00 19.02 C ATOM 28 CG PRO A 12 -16.224 18.206 42.464 1.00 19.94 C ATOM 29 CD PRO A 12 -16.462 19.117 43.646 1.00 20.63 C ATOM 0 HA PRO A 12 -14.674 20.931 41.784 1.00 18.26 H new ATOM 0 HB2 PRO A 12 -15.224 18.566 40.734 1.00 19.02 H new ATOM 0 HB3 PRO A 12 -14.294 18.615 41.985 1.00 19.02 H new ATOM 0 HG2 PRO A 12 -17.036 18.090 41.946 1.00 19.94 H new ATOM 0 HG3 PRO A 12 -15.946 17.324 42.756 1.00 19.94 H new ATOM 0 HD2 PRO A 12 -17.382 19.077 43.949 1.00 20.63 H new ATOM 0 HD3 PRO A 12 -15.904 18.877 44.402 1.00 20.63 H new ATOM 30 N TYR A 13 -15.655 21.416 39.668 1.00 14.80 N ATOM 31 CA TYR A 13 -16.339 21.907 38.494 1.00 15.10 C ATOM 32 C TYR A 13 -15.921 21.076 37.295 1.00 14.61 C ATOM 33 O TYR A 13 -14.739 20.960 37.013 1.00 14.66 O ATOM 34 CB TYR A 13 -15.929 23.362 38.234 1.00 15.28 C ATOM 35 CG TYR A 13 -16.723 23.931 37.091 1.00 18.44 C ATOM 36 CD1 TYR A 13 -18.052 24.275 37.281 1.00 20.91 C ATOM 37 CD2 TYR A 13 -16.154 24.116 35.815 1.00 19.82 C ATOM 38 CE1 TYR A 13 -18.826 24.780 36.224 1.00 23.73 C ATOM 39 CE2 TYR A 13 -16.930 24.621 34.750 1.00 21.97 C ATOM 40 CZ TYR A 13 -18.255 24.953 34.978 1.00 25.82 C ATOM 41 OH TYR A 13 -19.056 25.456 33.981 1.00 25.33 O ATOM 0 H TYR A 13 -14.807 21.557 39.672 1.00 14.80 H new ATOM 0 HA TYR A 13 -17.297 21.849 38.633 1.00 15.10 H new ATOM 0 HB2 TYR A 13 -16.074 23.893 39.033 1.00 15.28 H new ATOM 0 HB3 TYR A 13 -14.981 23.406 38.032 1.00 15.28 H new ATOM 0 HD1 TYR A 13 -18.437 24.170 38.121 1.00 20.91 H new ATOM 0 HD2 TYR A 13 -15.260 23.904 35.674 1.00 19.82 H new ATOM 0 HE1 TYR A 13 -19.720 24.997 36.362 1.00 23.73 H new ATOM 0 HE2 TYR A 13 -16.556 24.730 33.905 1.00 21.97 H new ATOM 0 HH TYR A 13 -18.661 25.387 33.243 1.00 25.33 H new ATOM 42 N PHE A 14 -16.892 20.551 36.561 1.00 14.67 N ATOM 43 CA PHE A 14 -16.616 19.658 35.447 1.00 14.55 C ATOM 44 C PHE A 14 -17.002 20.336 34.138 1.00 14.32 C ATOM 45 O PHE A 14 -18.098 20.907 34.007 1.00 14.68 O ATOM 46 CB PHE A 14 -17.453 18.379 35.587 1.00 14.31 C ATOM 47 CG PHE A 14 -17.124 17.564 36.798 1.00 13.64 C ATOM 48 CD1 PHE A 14 -16.072 16.638 36.769 1.00 16.14 C ATOM 49 CD2 PHE A 14 -17.836 17.737 37.980 1.00 15.85 C ATOM 50 CE1 PHE A 14 -15.734 15.875 37.872 1.00 15.54 C ATOM 51 CE2 PHE A 14 -17.510 16.988 39.108 1.00 17.49 C ATOM 52 CZ PHE A 14 -16.462 16.052 39.077 1.00 17.53 C ATOM 0 H PHE A 14 -17.728 20.702 36.694 1.00 14.67 H new ATOM 0 HA PHE A 14 -15.670 19.442 35.449 1.00 14.55 H new ATOM 0 HB2 PHE A 14 -18.392 18.620 35.616 1.00 14.31 H new ATOM 0 HB3 PHE A 14 -17.325 17.832 34.796 1.00 14.31 H new ATOM 0 HD1 PHE A 14 -15.586 16.533 35.983 1.00 16.14 H new ATOM 0 HD2 PHE A 14 -18.531 18.354 38.017 1.00 15.85 H new ATOM 0 HE1 PHE A 14 -15.041 15.256 37.825 1.00 15.54 H new ATOM 0 HE2 PHE A 14 -17.993 17.109 39.893 1.00 17.49 H new ATOM 0 HZ PHE A 14 -16.249 15.556 39.835 1.00 17.53 H new ATOM 53 N CYS A 15 -16.098 20.303 33.189 1.00 14.96 N ATOM 54 CA CYS A 15 -16.382 20.862 31.864 1.00 14.90 C ATOM 55 C CYS A 15 -15.621 20.172 30.744 1.00 15.31 C ATOM 56 O CYS A 15 -14.640 19.490 30.986 1.00 14.12 O ATOM 57 CB CYS A 15 -16.241 22.381 31.878 1.00 16.34 C ATOM 58 SG CYS A 15 -14.573 22.919 32.173 1.00 19.33 S ATOM 0 H CYS A 15 -15.312 19.965 33.278 1.00 14.96 H new ATOM 0 HA CYS A 15 -17.310 20.673 31.656 1.00 14.90 H new ATOM 0 HB2 CYS A 15 -16.545 22.737 31.029 1.00 16.34 H new ATOM 0 HB3 CYS A 15 -16.820 22.749 32.564 1.00 16.34 H new ATOM 0 HG CYS A 15 -14.532 24.118 32.169 1.00 19.33 H new ATOM 59 N ARG A 16 -16.126 20.284 29.512 1.00 14.23 N ATOM 60 CA ARG A 16 -15.463 19.654 28.373 1.00 15.32 C ATOM 61 C ARG A 16 -15.486 20.598 27.187 1.00 17.05 C ATOM 62 O ARG A 16 -16.455 21.280 26.966 1.00 18.53 O ATOM 63 CB ARG A 16 -16.198 18.381 27.945 1.00 14.94 C ATOM 64 CG ARG A 16 -16.634 17.420 29.030 1.00 15.67 C ATOM 65 CD ARG A 16 -17.380 16.278 28.411 1.00 15.12 C ATOM 66 NE ARG A 16 -18.065 15.451 29.402 1.00 13.14 N ATOM 67 CZ ARG A 16 -17.570 14.322 29.890 1.00 15.63 C ATOM 68 NH1 ARG A 16 -16.353 13.912 29.519 1.00 17.19 N ATOM 69 NH2 ARG A 16 -18.269 13.604 30.767 1.00 17.79 N ATOM 0 H ARG A 16 -16.844 20.716 29.318 1.00 14.23 H new ATOM 0 HA ARG A 16 -14.556 19.441 28.643 1.00 15.32 H new ATOM 0 HB2 ARG A 16 -16.987 18.646 27.446 1.00 14.94 H new ATOM 0 HB3 ARG A 16 -15.624 17.897 27.331 1.00 14.94 H new ATOM 0 HG2 ARG A 16 -15.861 17.090 29.514 1.00 15.67 H new ATOM 0 HG3 ARG A 16 -17.198 17.877 29.674 1.00 15.67 H new ATOM 0 HD2 ARG A 16 -18.030 16.625 27.780 1.00 15.12 H new ATOM 0 HD3 ARG A 16 -16.761 15.727 27.907 1.00 15.12 H new ATOM 0 HE ARG A 16 -18.834 15.712 29.685 1.00 13.14 H new ATOM 0 HH11 ARG A 16 -15.892 14.380 28.964 1.00 17.19 H new ATOM 0 HH12 ARG A 16 -16.031 13.180 29.835 1.00 17.19 H new ATOM 0 HH21 ARG A 16 -19.046 13.872 31.020 1.00 17.79 H new ATOM 0 HH22 ARG A 16 -17.943 12.872 31.080 1.00 17.79 H new ATOM 70 N GLY A 17 -14.431 20.630 26.398 1.00 17.45 N ATOM 71 CA GLY A 17 -14.457 21.558 25.269 1.00 18.29 C ATOM 72 C GLY A 17 -13.429 21.166 24.234 1.00 17.98 C ATOM 73 O GLY A 17 -12.449 20.475 24.551 1.00 18.64 O ATOM 0 H GLY A 17 -13.721 20.153 26.483 1.00 17.45 H new ATOM 0 HA2 GLY A 17 -15.340 21.563 24.869 1.00 18.29 H new ATOM 0 HA3 GLY A 17 -14.282 22.460 25.581 1.00 18.29 H new ATOM 74 N GLN A 18 -13.645 21.631 23.002 1.00 16.86 N ATOM 75 CA GLN A 18 -12.694 21.403 21.910 1.00 16.26 C ATOM 76 C GLN A 18 -11.400 22.183 22.221 1.00 15.42 C ATOM 77 O GLN A 18 -11.471 23.303 22.724 1.00 15.70 O ATOM 78 CB GLN A 18 -13.345 21.797 20.540 1.00 17.51 C ATOM 79 CG GLN A 18 -14.538 20.756 20.193 1.00 19.57 C ATOM 80 CD GLN A 18 -15.137 20.663 18.725 1.00 28.94 C ATOM 81 OE1 GLN A 18 -15.544 19.417 18.303 1.00 26.91 O flip ATOM 82 NE2 GLN A 18 -15.337 21.672 18.064 1.00 24.92 N flip ATOM 0 H GLN A 18 -14.341 22.084 22.776 1.00 16.86 H new ATOM 0 HA GLN A 18 -12.462 20.464 21.836 1.00 16.26 H new ATOM 0 HB2 GLN A 18 -13.694 22.701 20.584 1.00 17.51 H new ATOM 0 HB3 GLN A 18 -12.677 21.785 19.837 1.00 17.51 H new ATOM 0 HG2 GLN A 18 -14.220 19.870 20.427 1.00 19.57 H new ATOM 0 HG3 GLN A 18 -15.276 20.959 20.789 1.00 19.57 H new ATOM 0 HE21 GLN A 18 -15.071 22.436 18.355 1.00 24.92 H new ATOM 0 HE22 GLN A 18 -15.744 21.617 17.308 1.00 24.92 H new ATOM 83 N VAL A 19 -10.232 21.570 21.967 1.00 14.31 N ATOM 84 CA VAL A 19 -8.958 22.271 22.208 1.00 14.31 C ATOM 85 C VAL A 19 -8.646 23.190 21.018 1.00 13.98 C ATOM 86 O VAL A 19 -8.564 22.732 19.867 1.00 14.24 O ATOM 87 CB VAL A 19 -7.836 21.254 22.480 1.00 13.51 C ATOM 88 CG1 VAL A 19 -6.439 21.969 22.557 1.00 14.55 C ATOM 89 CG2 VAL A 19 -8.170 20.475 23.785 1.00 12.93 C ATOM 0 H VAL A 19 -10.156 20.769 21.663 1.00 14.31 H new ATOM 0 HA VAL A 19 -9.029 22.829 22.998 1.00 14.31 H new ATOM 0 HB VAL A 19 -7.780 20.620 21.748 1.00 13.51 H new ATOM 0 HG11 VAL A 19 -5.747 21.311 22.729 1.00 14.55 H new ATOM 0 HG12 VAL A 19 -6.257 22.416 21.716 1.00 14.55 H new ATOM 0 HG13 VAL A 19 -6.449 22.622 23.274 1.00 14.55 H new ATOM 0 HG21 VAL A 19 -7.468 19.830 23.966 1.00 12.93 H new ATOM 0 HG22 VAL A 19 -8.235 21.098 24.526 1.00 12.93 H new ATOM 0 HG23 VAL A 19 -9.015 20.011 23.678 1.00 12.93 H new ATOM 90 N VAL A 20 -8.496 24.487 21.296 1.00 13.19 N ATOM 91 CA VAL A 20 -8.366 25.481 20.230 1.00 13.31 C ATOM 92 C VAL A 20 -7.104 26.311 20.430 1.00 12.91 C ATOM 93 O VAL A 20 -6.563 26.400 21.536 1.00 12.43 O ATOM 94 CB VAL A 20 -9.595 26.403 20.145 1.00 12.81 C ATOM 95 CG1 VAL A 20 -10.825 25.578 19.859 1.00 15.60 C ATOM 96 CG2 VAL A 20 -9.817 27.216 21.413 1.00 14.42 C ATOM 0 H VAL A 20 -8.467 24.810 22.092 1.00 13.19 H new ATOM 0 HA VAL A 20 -8.304 24.997 19.392 1.00 13.31 H new ATOM 0 HB VAL A 20 -9.428 27.033 19.426 1.00 12.81 H new ATOM 0 HG11 VAL A 20 -11.600 26.159 19.805 1.00 15.60 H new ATOM 0 HG12 VAL A 20 -10.713 25.111 19.016 1.00 15.60 H new ATOM 0 HG13 VAL A 20 -10.955 24.932 20.571 1.00 15.60 H new ATOM 0 HG21 VAL A 20 -10.601 27.777 21.305 1.00 14.42 H new ATOM 0 HG22 VAL A 20 -9.950 26.616 22.163 1.00 14.42 H new ATOM 0 HG23 VAL A 20 -9.041 27.774 21.580 1.00 14.42 H new ATOM 97 N ARG A 21 -6.619 26.895 19.332 1.00 12.93 N ATOM 98 CA ARG A 21 -5.381 27.669 19.398 1.00 13.52 C ATOM 99 C ARG A 21 -5.620 28.994 20.057 1.00 13.45 C ATOM 100 O ARG A 21 -6.741 29.550 19.956 1.00 14.91 O ATOM 101 CB ARG A 21 -4.848 27.906 17.970 1.00 14.62 C ATOM 102 CG ARG A 21 -3.753 26.929 17.620 1.00 18.14 C ATOM 103 CD AARG A 21 -3.399 26.884 16.118 0.50 21.25 C ATOM 104 CD BARG A 21 -3.048 27.150 16.263 0.50 17.80 C ATOM 105 NE AARG A 21 -4.403 26.073 15.461 0.50 23.42 N ATOM 106 NE BARG A 21 -2.741 25.847 15.671 0.50 15.71 N ATOM 107 CZ AARG A 21 -4.230 24.851 14.966 0.50 21.43 C ATOM 108 CZ BARG A 21 -1.597 25.205 15.831 0.50 18.53 C ATOM 109 NH1AARG A 21 -3.058 24.234 15.000 0.50 18.99 N ATOM 110 NH1BARG A 21 -0.593 25.762 16.508 0.50 21.66 N ATOM 111 NH2AARG A 21 -5.275 24.240 14.447 0.50 23.07 N ATOM 112 NH2BARG A 21 -1.432 24.017 15.255 0.50 22.08 N ATOM 0 H ARG A 21 -6.984 26.856 18.554 1.00 12.93 H new ATOM 0 HA ARG A 21 -4.732 27.171 19.919 1.00 13.52 H new ATOM 0 HB2 ARG A 21 -5.575 27.821 17.334 1.00 14.62 H new ATOM 0 HB3 ARG A 21 -4.511 28.812 17.895 1.00 14.62 H new ATOM 0 HG2AARG A 21 -2.956 27.159 18.123 0.50 18.14 H new ATOM 0 HG2BARG A 21 -3.082 26.959 18.320 0.50 18.14 H new ATOM 0 HG3AARG A 21 -4.022 26.042 17.905 0.50 18.14 H new ATOM 0 HG3BARG A 21 -4.129 26.035 17.626 0.50 18.14 H new ATOM 0 HD2AARG A 21 -3.384 27.779 15.744 0.50 17.80 H new ATOM 0 HD2BARG A 21 -3.618 27.663 15.669 0.50 17.80 H new ATOM 0 HD3AARG A 21 -2.515 26.507 15.986 0.50 17.80 H new ATOM 0 HD3BARG A 21 -2.234 27.662 16.387 0.50 17.80 H new ATOM 0 HE AARG A 21 -5.188 26.415 15.383 0.50 15.71 H new ATOM 0 HE BARG A 21 -3.346 25.474 15.186 0.50 15.71 H new ATOM 0 HH11AARG A 21 -2.377 24.624 15.351 0.50 21.66 H new ATOM 0 HH11BARG A 21 -0.686 26.547 16.846 0.50 21.66 H new ATOM 0 HH12AARG A 21 -2.979 23.443 14.671 0.50 21.66 H new ATOM 0 HH12BARG A 21 0.148 25.336 16.607 0.50 21.66 H new ATOM 0 HH21AARG A 21 -6.040 24.632 14.435 0.50 22.08 H new ATOM 0 HH21BARG A 21 -2.066 23.675 14.785 0.50 22.08 H new ATOM 0 HH22AARG A 21 -5.192 23.449 14.120 0.50 22.08 H new ATOM 0 HH22BARG A 21 -0.691 23.591 15.353 0.50 22.08 H new ATOM 113 N GLY A 22 -4.543 29.545 20.619 1.00 12.70 N ATOM 114 CA GLY A 22 -4.579 30.855 21.244 1.00 13.38 C ATOM 115 C GLY A 22 -3.706 31.858 20.504 1.00 12.30 C ATOM 116 O GLY A 22 -3.248 31.618 19.396 1.00 12.61 O ATOM 0 H GLY A 22 -3.772 29.164 20.646 1.00 12.70 H new ATOM 0 HA2 GLY A 22 -5.494 31.177 21.267 1.00 13.38 H new ATOM 0 HA3 GLY A 22 -4.280 30.783 22.164 1.00 13.38 H new ATOM 117 N PHE A 23 -3.445 32.971 21.160 1.00 12.63 N ATOM 118 CA PHE A 23 -2.796 34.107 20.504 1.00 13.87 C ATOM 119 C PHE A 23 -1.506 34.472 21.240 1.00 14.86 C ATOM 120 O PHE A 23 -1.110 33.791 22.199 1.00 17.10 O ATOM 121 CB PHE A 23 -3.827 35.240 20.326 1.00 12.67 C ATOM 122 CG PHE A 23 -5.004 34.766 19.541 1.00 12.26 C ATOM 123 CD1 PHE A 23 -4.938 34.672 18.153 1.00 14.28 C ATOM 124 CD2 PHE A 23 -6.104 34.234 20.207 1.00 14.54 C ATOM 125 CE1 PHE A 23 -5.997 34.112 17.438 1.00 13.79 C ATOM 126 CE2 PHE A 23 -7.167 33.690 19.503 1.00 15.62 C ATOM 127 CZ PHE A 23 -7.102 33.638 18.099 1.00 16.28 C ATOM 0 H PHE A 23 -3.633 33.097 21.990 1.00 12.63 H new ATOM 0 HA PHE A 23 -2.500 33.890 19.606 1.00 13.87 H new ATOM 0 HB2 PHE A 23 -4.119 35.557 21.195 1.00 12.67 H new ATOM 0 HB3 PHE A 23 -3.413 35.992 19.874 1.00 12.67 H new ATOM 0 HD1 PHE A 23 -4.187 34.983 17.702 1.00 14.28 H new ATOM 0 HD2 PHE A 23 -6.126 34.244 21.137 1.00 14.54 H new ATOM 0 HE1 PHE A 23 -5.954 34.060 16.510 1.00 13.79 H new ATOM 0 HE2 PHE A 23 -7.913 33.364 19.953 1.00 15.62 H new ATOM 0 HZ PHE A 23 -7.812 33.280 17.616 1.00 16.28 H new ATOM 128 N GLY A 24 -0.818 35.499 20.763 1.00 16.13 N ATOM 129 CA GLY A 24 0.541 35.760 21.250 1.00 16.52 C ATOM 130 C GLY A 24 1.441 34.573 20.921 1.00 17.21 C ATOM 131 O GLY A 24 1.184 33.816 19.971 1.00 17.56 O ATOM 0 H GLY A 24 -1.107 36.050 20.169 1.00 16.13 H new ATOM 0 HA2 GLY A 24 0.892 36.566 20.840 1.00 16.52 H new ATOM 0 HA3 GLY A 24 0.527 35.911 22.208 1.00 16.52 H new ATOM 132 N ARG A 25 2.516 34.399 21.681 1.00 17.64 N ATOM 133 CA ARG A 25 3.349 33.222 21.474 1.00 18.67 C ATOM 134 C ARG A 25 2.901 32.174 22.493 1.00 18.15 C ATOM 135 O ARG A 25 2.694 32.472 23.682 1.00 21.78 O ATOM 136 CB AARG A 25 4.839 33.534 21.650 0.50 17.80 C ATOM 137 CB BARG A 25 4.835 33.552 21.685 0.50 17.87 C ATOM 138 CG AARG A 25 5.739 32.297 21.567 0.50 18.64 C ATOM 139 CG BARG A 25 5.310 34.860 21.047 0.50 18.37 C ATOM 140 CD AARG A 25 7.205 32.589 21.346 0.50 18.71 C ATOM 141 CD BARG A 25 6.816 35.148 21.196 0.50 20.65 C ATOM 142 NE AARG A 25 7.421 32.654 19.918 0.50 20.02 N ATOM 143 NE BARG A 25 7.229 36.142 20.210 0.50 21.80 N ATOM 144 CZ AARG A 25 7.530 33.771 19.248 0.50 18.35 C ATOM 145 CZ BARG A 25 7.134 37.447 20.375 0.50 21.07 C ATOM 146 NH1AARG A 25 7.509 34.929 19.889 0.50 22.88 N ATOM 147 NH1BARG A 25 6.682 37.955 21.513 0.50 22.07 N ATOM 148 NH2AARG A 25 7.700 33.737 17.950 0.50 16.30 N ATOM 149 NH2BARG A 25 7.514 38.246 19.406 0.50 21.95 N ATOM 0 H ARG A 25 2.775 34.933 22.304 1.00 17.64 H new ATOM 0 HA ARG A 25 3.243 32.901 20.565 1.00 18.67 H new ATOM 0 HB2AARG A 25 5.111 34.169 20.969 0.50 17.87 H new ATOM 0 HB2BARG A 25 5.010 33.592 22.638 0.50 17.87 H new ATOM 0 HB3AARG A 25 4.972 33.965 22.509 0.50 17.87 H new ATOM 0 HB3BARG A 25 5.367 32.823 21.329 0.50 17.87 H new ATOM 0 HG2AARG A 25 5.644 31.789 22.388 0.50 18.37 H new ATOM 0 HG2BARG A 25 5.090 34.842 20.102 0.50 18.37 H new ATOM 0 HG3AARG A 25 5.423 31.731 20.845 0.50 18.37 H new ATOM 0 HG3BARG A 25 4.814 35.595 21.440 0.50 18.37 H new ATOM 0 HD2AARG A 25 7.454 33.426 21.768 0.50 20.65 H new ATOM 0 HD2BARG A 25 7.005 35.470 22.091 0.50 20.65 H new ATOM 0 HD3AARG A 25 7.755 31.896 21.744 0.50 20.65 H new ATOM 0 HD3BARG A 25 7.324 34.330 21.076 0.50 20.65 H new ATOM 0 HE AARG A 25 7.481 31.914 19.484 0.50 21.80 H new ATOM 0 HE BARG A 25 7.558 35.856 19.468 0.50 21.80 H new ATOM 0 HH11AARG A 25 7.424 34.945 20.745 0.50 22.07 H new ATOM 0 HH11BARG A 25 6.447 37.432 22.154 0.50 22.07 H new ATOM 0 HH12AARG A 25 7.581 35.665 19.450 0.50 22.07 H new ATOM 0 HH12BARG A 25 6.624 38.808 21.610 0.50 22.07 H new ATOM 0 HH21AARG A 25 7.740 32.981 17.541 0.50 21.95 H new ATOM 0 HH21BARG A 25 7.821 37.917 18.673 0.50 21.95 H new ATOM 0 HH22AARG A 25 7.772 34.470 17.506 0.50 21.95 H new ATOM 0 HH22BARG A 25 7.456 39.098 19.504 0.50 21.95 H new ATOM 150 N GLY A 26 2.769 30.956 22.022 1.00 18.19 N ATOM 151 CA GLY A 26 2.277 29.868 22.818 1.00 16.80 C ATOM 152 C GLY A 26 3.258 29.533 23.912 1.00 17.08 C ATOM 153 O GLY A 26 4.462 29.649 23.703 1.00 17.47 O ATOM 0 H GLY A 26 2.967 30.736 21.215 1.00 18.19 H new ATOM 0 HA2 GLY A 26 1.420 30.105 23.205 1.00 16.80 H new ATOM 0 HA3 GLY A 26 2.130 29.090 22.258 1.00 16.80 H new ATOM 154 N SER A 27 2.742 29.079 25.047 1.00 15.41 N ATOM 155 CA SER A 27 3.607 28.729 26.181 1.00 14.81 C ATOM 156 C SER A 27 4.343 27.418 25.983 1.00 15.10 C ATOM 157 O SER A 27 5.155 27.033 26.838 1.00 15.30 O ATOM 158 CB SER A 27 2.815 28.717 27.481 1.00 14.07 C ATOM 159 OG SER A 27 1.786 27.745 27.410 1.00 14.88 O ATOM 0 H SER A 27 1.901 28.965 25.186 1.00 15.41 H new ATOM 0 HA SER A 27 4.286 29.419 26.234 1.00 14.81 H new ATOM 0 HB2 SER A 27 3.404 28.522 28.226 1.00 14.07 H new ATOM 0 HB3 SER A 27 2.432 29.593 27.644 1.00 14.07 H new ATOM 0 HG SER A 27 1.039 28.122 27.477 1.00 14.88 H new ATOM 160 N LYS A 28 4.097 26.728 24.864 1.00 15.32 N ATOM 161 CA LYS A 28 5.067 25.709 24.425 1.00 16.44 C ATOM 162 C LYS A 28 6.498 26.238 24.476 1.00 15.72 C ATOM 163 O LYS A 28 7.467 25.489 24.722 1.00 17.31 O ATOM 164 CB LYS A 28 4.783 25.265 22.985 1.00 16.06 C ATOM 165 CG LYS A 28 3.817 24.102 22.921 1.00 19.75 C ATOM 166 CD LYS A 28 3.402 23.880 21.481 1.00 22.20 C ATOM 167 CE LYS A 28 2.761 22.535 21.304 1.00 25.79 C ATOM 168 NZ LYS A 28 2.370 22.395 19.863 1.00 29.64 N ATOM 0 H LYS A 28 3.406 26.826 24.362 1.00 15.32 H new ATOM 0 HA LYS A 28 4.973 24.960 25.034 1.00 16.44 H new ATOM 0 HB2 LYS A 28 4.420 26.012 22.484 1.00 16.06 H new ATOM 0 HB3 LYS A 28 5.616 25.014 22.556 1.00 16.06 H new ATOM 0 HG2 LYS A 28 4.234 23.301 23.276 1.00 19.75 H new ATOM 0 HG3 LYS A 28 3.038 24.284 23.469 1.00 19.75 H new ATOM 0 HD2 LYS A 28 2.782 24.575 21.209 1.00 22.20 H new ATOM 0 HD3 LYS A 28 4.178 23.950 20.903 1.00 22.20 H new ATOM 0 HE2 LYS A 28 3.376 21.830 21.559 1.00 25.79 H new ATOM 0 HE3 LYS A 28 1.982 22.452 21.876 1.00 25.79 H new ATOM 0 HZ1 LYS A 28 2.053 21.576 19.719 1.00 29.64 H new ATOM 0 HZ2 LYS A 28 1.742 22.994 19.666 1.00 29.64 H new ATOM 0 HZ3 LYS A 28 3.082 22.532 19.347 1.00 29.64 H new ATOM 169 N GLN A 29 6.668 27.536 24.250 1.00 16.24 N ATOM 170 CA GLN A 29 8.032 28.095 24.227 1.00 17.12 C ATOM 171 C GLN A 29 8.744 27.880 25.561 1.00 17.38 C ATOM 172 O GLN A 29 9.971 27.868 25.597 1.00 18.56 O ATOM 173 CB GLN A 29 8.046 29.576 23.872 1.00 17.47 C ATOM 174 CG GLN A 29 7.333 30.447 24.868 1.00 19.48 C ATOM 175 CD GLN A 29 7.595 31.923 24.640 1.00 23.77 C ATOM 176 OE1 GLN A 29 8.658 32.292 24.204 1.00 23.69 O ATOM 177 NE2 GLN A 29 6.619 32.756 24.955 1.00 28.38 N ATOM 0 H GLN A 29 6.035 28.101 24.111 1.00 16.24 H new ATOM 0 HA GLN A 29 8.509 27.615 23.532 1.00 17.12 H new ATOM 0 HB2 GLN A 29 8.966 29.873 23.796 1.00 17.47 H new ATOM 0 HB3 GLN A 29 7.637 29.695 23.000 1.00 17.47 H new ATOM 0 HG2 GLN A 29 6.379 30.279 24.816 1.00 19.48 H new ATOM 0 HG3 GLN A 29 7.615 30.206 25.764 1.00 19.48 H new ATOM 0 HE21 GLN A 29 5.876 32.451 25.263 1.00 28.38 H new ATOM 0 HE22 GLN A 29 6.727 33.603 24.852 1.00 28.38 H new ATOM 178 N LEU A 30 7.962 27.727 26.624 1.00 16.71 N ATOM 179 CA LEU A 30 8.492 27.571 27.980 1.00 16.88 C ATOM 180 C LEU A 30 8.548 26.116 28.401 1.00 16.46 C ATOM 181 O LEU A 30 9.000 25.808 29.523 1.00 17.36 O ATOM 182 CB LEU A 30 7.622 28.349 28.985 1.00 17.68 C ATOM 183 CG LEU A 30 7.224 29.787 28.656 1.00 19.06 C ATOM 184 CD1 LEU A 30 6.319 30.294 29.735 1.00 20.80 C ATOM 185 CD2 LEU A 30 8.436 30.662 28.600 1.00 19.32 C ATOM 0 H LEU A 30 7.103 27.710 26.581 1.00 16.71 H new ATOM 0 HA LEU A 30 9.395 27.925 27.976 1.00 16.88 H new ATOM 0 HB2 LEU A 30 6.806 27.842 29.121 1.00 17.68 H new ATOM 0 HB3 LEU A 30 8.093 28.361 29.833 1.00 17.68 H new ATOM 0 HG LEU A 30 6.778 29.804 27.795 1.00 19.06 H new ATOM 0 HD11 LEU A 30 6.059 31.207 29.537 1.00 20.80 H new ATOM 0 HD12 LEU A 30 5.527 29.736 29.782 1.00 20.80 H new ATOM 0 HD13 LEU A 30 6.784 30.268 30.586 1.00 20.80 H new ATOM 0 HD21 LEU A 30 8.170 31.571 28.391 1.00 19.32 H new ATOM 0 HD22 LEU A 30 8.886 30.647 29.459 1.00 19.32 H new ATOM 0 HD23 LEU A 30 9.039 30.336 27.914 1.00 19.32 H new ATOM 186 N GLY A 31 8.113 25.222 27.524 1.00 15.90 N ATOM 187 CA GLY A 31 8.041 23.820 27.864 1.00 15.75 C ATOM 188 C GLY A 31 6.803 23.572 28.682 1.00 15.88 C ATOM 189 O GLY A 31 6.682 22.498 29.288 1.00 17.74 O ATOM 0 H GLY A 31 7.855 25.412 26.726 1.00 15.90 H new ATOM 0 HA2 GLY A 31 8.022 23.281 27.058 1.00 15.75 H new ATOM 0 HA3 GLY A 31 8.830 23.556 28.363 1.00 15.75 H new ATOM 190 N ILE A 32 5.869 24.549 28.703 1.00 15.59 N ATOM 191 CA ILE A 32 4.673 24.401 29.534 1.00 13.72 C ATOM 192 C ILE A 32 3.415 24.682 28.679 1.00 13.39 C ATOM 193 O ILE A 32 2.795 25.718 28.855 1.00 13.48 O ATOM 194 CB ILE A 32 4.728 25.288 30.809 1.00 14.71 C ATOM 195 CG1 ILE A 32 6.065 25.077 31.556 1.00 14.99 C ATOM 196 CG2 ILE A 32 3.517 24.962 31.737 1.00 15.36 C ATOM 197 CD1 ILE A 32 6.262 26.011 32.755 1.00 19.46 C ATOM 0 H ILE A 32 5.914 25.281 28.254 1.00 15.59 H new ATOM 0 HA ILE A 32 4.631 23.487 29.855 1.00 13.72 H new ATOM 0 HB ILE A 32 4.674 26.220 30.547 1.00 14.71 H new ATOM 0 HG12 ILE A 32 6.112 24.158 31.862 1.00 14.99 H new ATOM 0 HG13 ILE A 32 6.797 25.206 30.933 1.00 14.99 H new ATOM 0 HG21 ILE A 32 3.558 25.519 32.530 1.00 15.36 H new ATOM 0 HG22 ILE A 32 2.689 25.136 31.262 1.00 15.36 H new ATOM 0 HG23 ILE A 32 3.550 24.028 31.996 1.00 15.36 H new ATOM 0 HD11 ILE A 32 7.117 25.824 33.174 1.00 19.46 H new ATOM 0 HD12 ILE A 32 6.245 26.933 32.454 1.00 19.46 H new ATOM 0 HD13 ILE A 32 5.549 25.868 33.397 1.00 19.46 H new ATOM 198 N PRO A 33 3.062 23.770 27.774 1.00 13.45 N ATOM 199 CA PRO A 33 1.938 24.015 26.849 1.00 12.82 C ATOM 200 C PRO A 33 0.647 24.180 27.648 1.00 12.77 C ATOM 201 O PRO A 33 0.430 23.511 28.691 1.00 12.88 O ATOM 202 CB PRO A 33 1.817 22.723 26.033 1.00 14.10 C ATOM 203 CG PRO A 33 2.613 21.729 26.760 1.00 14.84 C ATOM 204 CD PRO A 33 3.665 22.439 27.562 1.00 14.51 C ATOM 0 HA PRO A 33 2.081 24.806 26.307 1.00 12.82 H new ATOM 0 HB2 PRO A 33 0.892 22.443 25.957 1.00 14.10 H new ATOM 0 HB3 PRO A 33 2.151 22.847 25.131 1.00 14.10 H new ATOM 0 HG2 PRO A 33 2.043 21.205 27.344 1.00 14.84 H new ATOM 0 HG3 PRO A 33 3.026 21.110 26.138 1.00 14.84 H new ATOM 0 HD2 PRO A 33 3.846 21.987 28.401 1.00 14.51 H new ATOM 0 HD3 PRO A 33 4.507 22.496 27.083 1.00 14.51 H new ATOM 205 N THR A 34 -0.182 25.096 27.178 1.00 12.60 N ATOM 206 CA THR A 34 -1.435 25.428 27.866 1.00 11.86 C ATOM 207 C THR A 34 -2.552 25.338 26.820 1.00 12.08 C ATOM 208 O THR A 34 -2.587 26.102 25.859 1.00 11.80 O ATOM 209 CB THR A 34 -1.410 26.867 28.398 1.00 11.29 C ATOM 210 OG1 THR A 34 -0.749 27.726 27.433 1.00 10.74 O ATOM 211 CG2 THR A 34 -0.546 26.955 29.649 1.00 12.64 C ATOM 0 H THR A 34 -0.043 25.544 26.457 1.00 12.60 H new ATOM 0 HA THR A 34 -1.566 24.822 28.612 1.00 11.86 H new ATOM 0 HB THR A 34 -2.328 27.130 28.571 1.00 11.29 H new ATOM 0 HG21 THR A 34 -0.539 27.869 29.974 1.00 12.64 H new ATOM 0 HG22 THR A 34 -0.908 26.371 30.334 1.00 12.64 H new ATOM 0 HG23 THR A 34 0.360 26.681 29.437 1.00 12.64 H new ATOM 212 N ALA A 35 -3.493 24.431 27.051 1.00 11.16 N ATOM 213 CA ALA A 35 -4.606 24.248 26.131 1.00 11.19 C ATOM 214 C ALA A 35 -5.786 25.181 26.436 1.00 11.84 C ATOM 215 O ALA A 35 -6.186 25.335 27.604 1.00 12.21 O ATOM 216 CB ALA A 35 -5.067 22.794 26.184 1.00 11.36 C ATOM 0 H ALA A 35 -3.505 23.911 27.736 1.00 11.16 H new ATOM 0 HA ALA A 35 -4.291 24.473 25.242 1.00 11.19 H new ATOM 0 HB1 ALA A 35 -5.809 22.667 25.572 1.00 11.36 H new ATOM 0 HB2 ALA A 35 -4.334 22.212 25.928 1.00 11.36 H new ATOM 0 HB3 ALA A 35 -5.351 22.577 27.086 1.00 11.36 H new ATOM 217 N ASN A 36 -6.349 25.731 25.367 1.00 11.10 N ATOM 218 CA ASN A 36 -7.556 26.597 25.427 1.00 12.93 C ATOM 219 C ASN A 36 -8.820 25.895 25.005 1.00 13.86 C ATOM 220 O ASN A 36 -8.811 24.967 24.199 1.00 14.02 O ATOM 221 CB ASN A 36 -7.371 27.848 24.511 1.00 11.90 C ATOM 222 CG ASN A 36 -5.979 28.398 24.639 1.00 14.01 C ATOM 223 OD1 ASN A 36 -5.615 28.899 25.730 1.00 16.43 O ATOM 224 ND2 ASN A 36 -5.150 28.223 23.601 1.00 12.90 N ATOM 0 H ASN A 36 -6.047 25.619 24.570 1.00 11.10 H new ATOM 0 HA ASN A 36 -7.650 26.851 26.358 1.00 12.93 H new ATOM 0 HB2 ASN A 36 -7.545 27.607 23.588 1.00 11.90 H new ATOM 0 HB3 ASN A 36 -8.017 28.530 24.753 1.00 11.90 H new ATOM 0 HD21 ASN A 36 -4.325 28.458 23.665 1.00 12.90 H new ATOM 0 HD22 ASN A 36 -5.443 27.875 22.871 1.00 12.90 H new ATOM 225 N PHE A 37 -9.930 26.378 25.542 1.00 17.19 N ATOM 226 CA PHE A 37 -11.277 25.930 25.100 1.00 17.40 C ATOM 227 C PHE A 37 -11.910 27.060 24.308 1.00 18.71 C ATOM 228 O PHE A 37 -11.477 28.201 24.484 1.00 19.53 O ATOM 229 CB PHE A 37 -12.168 25.794 26.334 1.00 17.40 C ATOM 230 CG PHE A 37 -11.927 24.563 27.204 1.00 15.99 C ATOM 231 CD1 PHE A 37 -11.830 23.319 26.659 1.00 18.81 C ATOM 232 CD2 PHE A 37 -11.944 24.702 28.586 1.00 17.19 C ATOM 233 CE1 PHE A 37 -11.699 22.174 27.491 1.00 19.71 C ATOM 234 CE2 PHE A 37 -11.827 23.576 29.434 1.00 17.74 C ATOM 235 CZ PHE A 37 -11.682 22.313 28.859 1.00 18.23 C ATOM 0 H PHE A 37 -9.941 26.969 26.167 1.00 17.19 H new ATOM 0 HA PHE A 37 -11.196 25.105 24.597 1.00 17.40 H new ATOM 0 HB2 PHE A 37 -12.051 26.584 26.884 1.00 17.40 H new ATOM 0 HB3 PHE A 37 -13.093 25.786 26.043 1.00 17.40 H new ATOM 0 HD1 PHE A 37 -11.850 23.218 25.735 1.00 18.81 H new ATOM 0 HD2 PHE A 37 -12.034 25.549 28.960 1.00 17.19 H new ATOM 0 HE1 PHE A 37 -11.625 21.329 27.109 1.00 19.71 H new ATOM 0 HE2 PHE A 37 -11.846 23.676 30.358 1.00 17.74 H new ATOM 0 HZ PHE A 37 -11.574 21.565 29.401 1.00 18.23 H new ATOM 236 N PRO A 38 -12.985 26.796 23.545 1.00 19.32 N ATOM 237 CA PRO A 38 -13.771 27.906 22.956 1.00 18.48 C ATOM 238 C PRO A 38 -14.316 28.821 24.083 1.00 18.92 C ATOM 239 O PRO A 38 -14.522 28.352 25.200 1.00 17.50 O ATOM 240 CB PRO A 38 -14.897 27.189 22.194 1.00 19.14 C ATOM 241 CG PRO A 38 -14.326 25.795 21.911 1.00 20.66 C ATOM 242 CD PRO A 38 -13.558 25.474 23.193 1.00 18.86 C ATOM 0 HA PRO A 38 -13.257 28.486 22.373 1.00 18.48 H new ATOM 0 HB2 PRO A 38 -15.708 27.140 22.723 1.00 19.14 H new ATOM 0 HB3 PRO A 38 -15.122 27.654 21.373 1.00 19.14 H new ATOM 0 HG2 PRO A 38 -15.027 25.147 21.740 1.00 20.66 H new ATOM 0 HG3 PRO A 38 -13.745 25.795 21.134 1.00 20.66 H new ATOM 0 HD2 PRO A 38 -14.140 25.133 23.890 1.00 18.86 H new ATOM 0 HD3 PRO A 38 -12.869 24.807 23.047 1.00 18.86 H new ATOM 243 N GLU A 39 -14.530 30.119 23.809 1.00 19.12 N ATOM 244 CA GLU A 39 -14.975 31.044 24.854 1.00 19.64 C ATOM 245 C GLU A 39 -16.323 30.607 25.483 1.00 18.60 C ATOM 246 O GLU A 39 -16.595 30.932 26.665 1.00 17.94 O ATOM 247 CB GLU A 39 -15.049 32.490 24.324 1.00 21.72 C ATOM 248 CG GLU A 39 -16.311 32.853 23.603 1.00 26.02 C ATOM 249 CD GLU A 39 -16.335 34.303 23.109 1.00 33.44 C ATOM 250 OE1 GLU A 39 -16.559 35.250 23.916 1.00 34.58 O ATOM 251 OE2 GLU A 39 -16.173 34.483 21.887 1.00 35.10 O ATOM 0 H GLU A 39 -14.424 30.475 23.034 1.00 19.12 H new ATOM 0 HA GLU A 39 -14.310 31.017 25.560 1.00 19.64 H new ATOM 0 HB2 GLU A 39 -14.937 33.097 25.072 1.00 21.72 H new ATOM 0 HB3 GLU A 39 -14.300 32.636 23.725 1.00 21.72 H new ATOM 0 HG2 GLU A 39 -16.425 32.258 22.845 1.00 26.02 H new ATOM 0 HG3 GLU A 39 -17.066 32.707 24.194 1.00 26.02 H new ATOM 252 N GLN A 40 -17.139 29.876 24.720 1.00 18.20 N ATOM 253 CA GLN A 40 -18.432 29.350 25.229 1.00 18.68 C ATOM 254 C GLN A 40 -18.216 28.588 26.539 1.00 17.45 C ATOM 255 O GLN A 40 -19.058 28.639 27.451 1.00 18.43 O ATOM 256 CB GLN A 40 -19.108 28.413 24.198 1.00 20.02 C ATOM 257 CG GLN A 40 -18.491 26.985 24.164 1.00 23.73 C ATOM 258 CD GLN A 40 -18.778 26.098 22.909 1.00 30.35 C ATOM 259 OE1 GLN A 40 -18.981 26.719 21.768 1.00 33.06 O flip ATOM 260 NE2 GLN A 40 -18.765 24.841 23.007 1.00 29.69 N flip ATOM 0 H GLN A 40 -16.971 29.668 23.903 1.00 18.20 H new ATOM 0 HA GLN A 40 -19.015 30.110 25.384 1.00 18.68 H new ATOM 0 HB2 GLN A 40 -20.053 28.345 24.404 1.00 20.02 H new ATOM 0 HB3 GLN A 40 -19.038 28.810 23.316 1.00 20.02 H new ATOM 0 HG2 GLN A 40 -17.529 27.073 24.253 1.00 23.73 H new ATOM 0 HG3 GLN A 40 -18.805 26.506 24.946 1.00 23.73 H new ATOM 0 HE21 GLN A 40 -18.629 24.471 23.771 1.00 29.69 H new ATOM 0 HE22 GLN A 40 -18.892 24.354 22.310 1.00 29.69 H new ATOM 261 N VAL A 41 -17.117 27.829 26.641 1.00 16.21 N ATOM 262 CA VAL A 41 -16.901 27.031 27.834 1.00 16.47 C ATOM 263 C VAL A 41 -16.583 27.943 29.004 1.00 17.30 C ATOM 264 O VAL A 41 -17.170 27.817 30.068 1.00 16.93 O ATOM 265 CB VAL A 41 -15.771 25.971 27.672 1.00 15.50 C ATOM 266 CG1 VAL A 41 -15.477 25.283 28.993 1.00 19.08 C ATOM 267 CG2 VAL A 41 -16.152 24.977 26.575 1.00 18.31 C ATOM 0 H VAL A 41 -16.503 27.768 26.042 1.00 16.21 H new ATOM 0 HA VAL A 41 -17.722 26.540 27.996 1.00 16.47 H new ATOM 0 HB VAL A 41 -14.952 26.415 27.403 1.00 15.50 H new ATOM 0 HG11 VAL A 41 -14.772 24.629 28.867 1.00 19.08 H new ATOM 0 HG12 VAL A 41 -15.193 25.942 29.645 1.00 19.08 H new ATOM 0 HG13 VAL A 41 -16.278 24.838 29.311 1.00 19.08 H new ATOM 0 HG21 VAL A 41 -15.447 24.318 26.476 1.00 18.31 H new ATOM 0 HG22 VAL A 41 -16.979 24.531 26.815 1.00 18.31 H new ATOM 0 HG23 VAL A 41 -16.272 25.450 25.737 1.00 18.31 H new ATOM 268 N VAL A 42 -15.652 28.878 28.783 1.00 17.67 N ATOM 269 CA VAL A 42 -15.254 29.781 29.840 1.00 19.97 C ATOM 270 C VAL A 42 -16.453 30.612 30.307 1.00 20.71 C ATOM 271 O VAL A 42 -16.669 30.802 31.509 1.00 21.99 O ATOM 272 CB VAL A 42 -14.102 30.695 29.373 1.00 20.48 C ATOM 273 CG1 VAL A 42 -13.512 31.377 30.582 1.00 23.49 C ATOM 274 CG2 VAL A 42 -13.001 29.820 28.681 1.00 23.61 C ATOM 0 H VAL A 42 -15.249 28.997 28.033 1.00 17.67 H new ATOM 0 HA VAL A 42 -14.934 29.256 30.590 1.00 19.97 H new ATOM 0 HB VAL A 42 -14.431 31.357 28.745 1.00 20.48 H new ATOM 0 HG11 VAL A 42 -12.785 31.956 30.304 1.00 23.49 H new ATOM 0 HG12 VAL A 42 -14.196 31.906 31.022 1.00 23.49 H new ATOM 0 HG13 VAL A 42 -13.175 30.708 31.198 1.00 23.49 H new ATOM 0 HG21 VAL A 42 -12.274 30.389 28.385 1.00 23.61 H new ATOM 0 HG22 VAL A 42 -12.663 29.166 29.313 1.00 23.61 H new ATOM 0 HG23 VAL A 42 -13.384 29.362 27.917 1.00 23.61 H new ATOM 275 N ASP A 43 -17.254 31.065 29.351 1.00 21.91 N ATOM 276 CA ASP A 43 -18.418 31.890 29.698 1.00 22.65 C ATOM 277 C ASP A 43 -19.454 31.190 30.561 1.00 22.88 C ATOM 278 O ASP A 43 -20.307 31.854 31.195 1.00 23.36 O ATOM 279 CB ASP A 43 -19.072 32.454 28.439 1.00 23.30 C ATOM 280 CG ASP A 43 -18.238 33.527 27.794 1.00 25.00 C ATOM 281 OD1 ASP A 43 -17.160 33.882 28.331 1.00 28.60 O ATOM 282 OD2 ASP A 43 -18.566 34.066 26.731 1.00 27.82 O ATOM 0 H ASP A 43 -17.150 30.914 28.511 1.00 21.91 H new ATOM 0 HA ASP A 43 -18.067 32.612 30.243 1.00 22.65 H new ATOM 0 HB2 ASP A 43 -19.219 31.736 27.804 1.00 23.30 H new ATOM 0 HB3 ASP A 43 -19.943 32.816 28.664 1.00 23.30 H new ATOM 283 N ASN A 44 -19.396 29.869 30.634 1.00 22.14 N ATOM 284 CA ASN A 44 -20.384 29.171 31.441 1.00 24.14 C ATOM 285 C ASN A 44 -19.886 28.808 32.819 1.00 24.67 C ATOM 286 O ASN A 44 -20.610 28.196 33.597 1.00 25.03 O ATOM 287 CB ASN A 44 -20.978 27.987 30.675 1.00 23.73 C ATOM 288 CG ASN A 44 -22.059 28.438 29.728 1.00 24.57 C ATOM 289 OD1 ASN A 44 -23.198 28.577 30.130 1.00 23.98 O ATOM 290 ND2 ASN A 44 -21.690 28.766 28.488 1.00 22.57 N ATOM 0 H ASN A 44 -18.815 29.372 30.240 1.00 22.14 H new ATOM 0 HA ASN A 44 -21.109 29.794 31.607 1.00 24.14 H new ATOM 0 HB2 ASN A 44 -20.278 27.535 30.179 1.00 23.73 H new ATOM 0 HB3 ASN A 44 -21.342 27.343 31.302 1.00 23.73 H new ATOM 0 HD21 ASN A 44 -22.267 29.090 27.939 1.00 22.57 H new ATOM 0 HD22 ASN A 44 -20.875 28.654 28.238 1.00 22.57 H new ATOM 291 N LEU A 45 -18.637 29.199 33.117 1.00 25.15 N ATOM 292 CA LEU A 45 -18.120 29.115 34.478 1.00 26.38 C ATOM 293 C LEU A 45 -19.011 29.917 35.431 1.00 26.66 C ATOM 294 O LEU A 45 -19.400 31.048 35.145 1.00 25.74 O ATOM 295 CB LEU A 45 -16.674 29.639 34.572 1.00 26.45 C ATOM 296 CG LEU A 45 -15.475 28.910 33.968 1.00 27.95 C ATOM 297 CD1 LEU A 45 -14.223 29.761 34.182 1.00 31.93 C ATOM 298 CD2 LEU A 45 -15.271 27.552 34.564 1.00 30.87 C ATOM 0 H LEU A 45 -18.080 29.514 32.542 1.00 25.15 H new ATOM 0 HA LEU A 45 -18.122 28.179 34.732 1.00 26.38 H new ATOM 0 HB2 LEU A 45 -16.679 30.527 34.182 1.00 26.45 H new ATOM 0 HB3 LEU A 45 -16.482 29.745 35.517 1.00 26.45 H new ATOM 0 HG LEU A 45 -15.648 28.782 33.022 1.00 27.95 H new ATOM 0 HD11 LEU A 45 -13.454 29.307 33.802 1.00 31.93 H new ATOM 0 HD12 LEU A 45 -14.338 30.621 33.748 1.00 31.93 H new ATOM 0 HD13 LEU A 45 -14.081 29.895 35.132 1.00 31.93 H new ATOM 0 HD21 LEU A 45 -14.502 27.129 34.151 1.00 30.87 H new ATOM 0 HD22 LEU A 45 -15.119 27.637 35.518 1.00 30.87 H new ATOM 0 HD23 LEU A 45 -16.060 27.009 34.409 1.00 30.87 H new ATOM 299 N PRO A 46 -19.317 29.332 36.578 1.00 28.11 N ATOM 300 CA PRO A 46 -20.009 30.062 37.647 1.00 28.72 C ATOM 301 C PRO A 46 -19.212 31.318 38.031 1.00 29.65 C ATOM 302 O PRO A 46 -18.002 31.217 38.056 1.00 29.10 O ATOM 303 CB PRO A 46 -19.988 29.065 38.804 1.00 29.05 C ATOM 304 CG PRO A 46 -19.857 27.729 38.177 1.00 29.33 C ATOM 305 CD PRO A 46 -19.048 27.926 36.929 1.00 27.76 C ATOM 0 HA PRO A 46 -20.899 30.357 37.399 1.00 28.72 H new ATOM 0 HB2 PRO A 46 -19.247 29.243 39.404 1.00 29.05 H new ATOM 0 HB3 PRO A 46 -20.800 29.125 39.331 1.00 29.05 H new ATOM 0 HG2 PRO A 46 -19.419 27.106 38.778 1.00 29.33 H new ATOM 0 HG3 PRO A 46 -20.729 27.358 37.969 1.00 29.33 H new ATOM 0 HD2 PRO A 46 -18.104 27.769 37.085 1.00 27.76 H new ATOM 0 HD3 PRO A 46 -19.324 27.321 36.223 1.00 27.76 H new ATOM 306 N ALA A 47 -19.856 32.452 38.339 1.00 30.89 N ATOM 307 CA ALA A 47 -19.136 33.658 38.815 1.00 31.58 C ATOM 308 C ALA A 47 -18.169 33.451 40.020 1.00 32.29 C ATOM 309 O ALA A 47 -17.168 34.158 40.160 1.00 32.09 O ATOM 310 CB ALA A 47 -20.111 34.771 39.103 1.00 31.88 C ATOM 0 H ALA A 47 -20.709 32.549 38.281 1.00 30.89 H new ATOM 0 HA ALA A 47 -18.550 33.896 38.079 1.00 31.58 H new ATOM 0 HB1 ALA A 47 -19.628 35.553 39.413 1.00 31.88 H new ATOM 0 HB2 ALA A 47 -20.598 34.992 38.294 1.00 31.88 H new ATOM 0 HB3 ALA A 47 -20.736 34.485 39.788 1.00 31.88 H new ATOM 311 N ASP A 48 -18.461 32.472 40.871 1.00 32.66 N ATOM 312 CA ASP A 48 -17.678 32.245 42.089 1.00 33.07 C ATOM 313 C ASP A 48 -16.334 31.570 41.819 1.00 32.16 C ATOM 314 O ASP A 48 -15.459 31.557 42.694 1.00 32.19 O ATOM 315 CB ASP A 48 -18.494 31.432 43.103 1.00 34.16 C ATOM 316 CG ASP A 48 -19.303 30.337 42.440 1.00 36.76 C ATOM 317 OD1 ASP A 48 -18.727 29.246 42.242 1.00 38.29 O ATOM 318 OD2 ASP A 48 -20.500 30.487 42.058 1.00 40.77 O ATOM 0 H ASP A 48 -19.114 31.922 40.763 1.00 32.66 H new ATOM 0 HA ASP A 48 -17.479 33.119 42.460 1.00 33.07 H new ATOM 0 HB2 ASP A 48 -17.895 31.039 43.757 1.00 34.16 H new ATOM 0 HB3 ASP A 48 -19.090 32.025 43.586 1.00 34.16 H new ATOM 319 N ILE A 49 -16.166 31.018 40.612 1.00 30.43 N ATOM 320 CA ILE A 49 -14.861 30.549 40.173 1.00 28.79 C ATOM 321 C ILE A 49 -14.079 31.805 39.765 1.00 28.55 C ATOM 322 O ILE A 49 -14.047 32.221 38.579 1.00 29.00 O ATOM 323 CB ILE A 49 -14.956 29.475 39.080 1.00 29.63 C ATOM 324 CG1 ILE A 49 -15.709 28.258 39.647 1.00 30.33 C ATOM 325 CG2 ILE A 49 -13.563 29.049 38.615 1.00 27.91 C ATOM 326 CD1 ILE A 49 -15.888 27.088 38.691 1.00 34.16 C ATOM 0 H ILE A 49 -16.797 30.909 40.038 1.00 30.43 H new ATOM 0 HA ILE A 49 -14.389 30.086 40.883 1.00 28.79 H new ATOM 0 HB ILE A 49 -15.432 29.839 38.317 1.00 29.63 H new ATOM 0 HG12 ILE A 49 -15.235 27.943 40.433 1.00 30.33 H new ATOM 0 HG13 ILE A 49 -16.586 28.550 39.942 1.00 30.33 H new ATOM 0 HG21 ILE A 49 -13.645 28.371 37.926 1.00 27.91 H new ATOM 0 HG22 ILE A 49 -13.092 29.818 38.258 1.00 27.91 H new ATOM 0 HG23 ILE A 49 -13.067 28.687 39.366 1.00 27.91 H new ATOM 0 HD11 ILE A 49 -16.371 26.375 39.138 1.00 34.16 H new ATOM 0 HD12 ILE A 49 -16.389 27.379 37.913 1.00 34.16 H new ATOM 0 HD13 ILE A 49 -15.018 26.763 38.411 1.00 34.16 H new ATOM 327 N SER A 50 -13.514 32.432 40.795 1.00 24.83 N ATOM 328 CA SER A 50 -12.731 33.655 40.648 1.00 22.81 C ATOM 329 C SER A 50 -11.510 33.407 39.768 1.00 19.95 C ATOM 330 O SER A 50 -11.130 32.260 39.502 1.00 17.52 O ATOM 331 CB SER A 50 -12.281 34.109 42.019 1.00 24.19 C ATOM 332 OG SER A 50 -11.424 33.114 42.536 1.00 27.57 O ATOM 0 H SER A 50 -13.576 32.155 41.607 1.00 24.83 H new ATOM 0 HA SER A 50 -13.278 34.337 40.229 1.00 22.81 H new ATOM 0 HB2 SER A 50 -11.820 34.960 41.962 1.00 24.19 H new ATOM 0 HB3 SER A 50 -13.045 34.239 42.603 1.00 24.19 H new ATOM 0 HG SER A 50 -11.157 33.342 43.299 1.00 27.57 H new ATOM 333 N THR A 51 -10.864 34.484 39.340 1.00 17.96 N ATOM 334 CA THR A 51 -9.576 34.294 38.671 1.00 15.99 C ATOM 335 C THR A 51 -8.573 33.729 39.656 1.00 15.15 C ATOM 336 O THR A 51 -8.729 33.866 40.884 1.00 15.81 O ATOM 337 CB THR A 51 -9.042 35.594 38.106 1.00 15.77 C ATOM 338 OG1 THR A 51 -8.962 36.577 39.152 1.00 15.79 O ATOM 339 CG2 THR A 51 -10.054 36.176 37.087 1.00 17.46 C ATOM 0 H THR A 51 -11.133 35.297 39.419 1.00 17.96 H new ATOM 0 HA THR A 51 -9.711 33.677 37.935 1.00 15.99 H new ATOM 0 HB THR A 51 -8.179 35.411 37.703 1.00 15.77 H new ATOM 0 HG1 THR A 51 -8.225 36.977 39.105 1.00 15.79 H new ATOM 0 HG21 THR A 51 -9.709 37.008 36.727 1.00 17.46 H new ATOM 0 HG22 THR A 51 -10.187 35.542 36.365 1.00 17.46 H new ATOM 0 HG23 THR A 51 -10.901 36.342 37.530 1.00 17.46 H new ATOM 340 N GLY A 52 -7.557 33.097 39.118 1.00 13.70 N ATOM 341 CA GLY A 52 -6.481 32.515 39.906 1.00 13.85 C ATOM 342 C GLY A 52 -6.073 31.177 39.322 1.00 13.63 C ATOM 343 O GLY A 52 -6.483 30.795 38.180 1.00 12.53 O ATOM 0 H GLY A 52 -7.464 32.988 38.270 1.00 13.70 H new ATOM 0 HA2 GLY A 52 -5.719 33.116 39.920 1.00 13.85 H new ATOM 0 HA3 GLY A 52 -6.769 32.401 40.825 1.00 13.85 H new ATOM 344 N ILE A 53 -5.297 30.452 40.125 1.00 12.41 N ATOM 345 CA ILE A 53 -4.678 29.209 39.679 1.00 12.89 C ATOM 346 C ILE A 53 -5.326 28.068 40.419 1.00 13.55 C ATOM 347 O ILE A 53 -5.409 28.097 41.640 1.00 13.32 O ATOM 348 CB ILE A 53 -3.156 29.225 39.960 1.00 13.31 C ATOM 349 CG1 ILE A 53 -2.531 30.537 39.426 1.00 15.95 C ATOM 350 CG2 ILE A 53 -2.481 28.003 39.335 1.00 14.71 C ATOM 351 CD1 ILE A 53 -2.900 30.855 37.954 1.00 15.53 C ATOM 0 H ILE A 53 -5.116 30.666 40.938 1.00 12.41 H new ATOM 0 HA ILE A 53 -4.804 29.106 38.723 1.00 12.89 H new ATOM 0 HB ILE A 53 -3.014 29.186 40.919 1.00 13.31 H new ATOM 0 HG12 ILE A 53 -2.817 31.274 39.988 1.00 15.95 H new ATOM 0 HG13 ILE A 53 -1.566 30.480 39.503 1.00 15.95 H new ATOM 0 HG21 ILE A 53 -1.529 28.029 39.520 1.00 14.71 H new ATOM 0 HG22 ILE A 53 -2.862 27.195 39.712 1.00 14.71 H new ATOM 0 HG23 ILE A 53 -2.623 28.010 38.376 1.00 14.71 H new ATOM 0 HD11 ILE A 53 -2.477 31.686 37.686 1.00 15.53 H new ATOM 0 HD12 ILE A 53 -2.592 30.136 37.380 1.00 15.53 H new ATOM 0 HD13 ILE A 53 -3.863 30.942 37.873 1.00 15.53 H new ATOM 352 N TYR A 54 -5.795 27.090 39.654 1.00 13.47 N ATOM 353 CA TYR A 54 -6.515 25.922 40.186 1.00 12.91 C ATOM 354 C TYR A 54 -5.800 24.657 39.778 1.00 12.56 C ATOM 355 O TYR A 54 -4.904 24.673 38.913 1.00 13.87 O ATOM 356 CB TYR A 54 -7.934 25.855 39.621 1.00 12.20 C ATOM 357 CG TYR A 54 -8.833 27.009 40.009 1.00 12.49 C ATOM 358 CD1 TYR A 54 -8.673 28.303 39.428 1.00 13.89 C ATOM 359 CD2 TYR A 54 -9.863 26.820 40.932 1.00 15.71 C ATOM 360 CE1 TYR A 54 -9.534 29.349 39.766 1.00 13.62 C ATOM 361 CE2 TYR A 54 -10.713 27.857 41.260 1.00 14.23 C ATOM 362 CZ TYR A 54 -10.539 29.118 40.681 1.00 15.99 C ATOM 363 OH TYR A 54 -11.414 30.129 41.047 1.00 17.94 O ATOM 0 H TYR A 54 -5.706 27.080 38.799 1.00 13.47 H new ATOM 0 HA TYR A 54 -6.549 26.007 41.152 1.00 12.91 H new ATOM 0 HB2 TYR A 54 -7.881 25.816 38.653 1.00 12.20 H new ATOM 0 HB3 TYR A 54 -8.346 25.028 39.916 1.00 12.20 H new ATOM 0 HD1 TYR A 54 -7.987 28.451 38.817 1.00 13.89 H new ATOM 0 HD2 TYR A 54 -9.978 25.987 41.330 1.00 15.71 H new ATOM 0 HE1 TYR A 54 -9.431 30.189 39.380 1.00 13.62 H new ATOM 0 HE2 TYR A 54 -11.403 27.717 41.867 1.00 14.23 H new ATOM 0 HH TYR A 54 -11.313 30.787 40.534 1.00 17.94 H new ATOM 364 N TYR A 55 -6.210 23.541 40.367 1.00 13.72 N ATOM 365 CA TYR A 55 -5.659 22.228 39.981 1.00 13.59 C ATOM 366 C TYR A 55 -6.755 21.184 39.929 1.00 13.63 C ATOM 367 O TYR A 55 -7.894 21.402 40.415 1.00 13.66 O ATOM 368 CB TYR A 55 -4.522 21.790 40.929 1.00 14.19 C ATOM 369 CG TYR A 55 -4.971 21.642 42.362 1.00 12.91 C ATOM 370 CD1 TYR A 55 -5.023 22.747 43.230 1.00 15.87 C ATOM 371 CD2 TYR A 55 -5.388 20.402 42.848 1.00 16.66 C ATOM 372 CE1 TYR A 55 -5.450 22.605 44.521 1.00 15.39 C ATOM 373 CE2 TYR A 55 -5.815 20.258 44.138 1.00 17.84 C ATOM 374 CZ TYR A 55 -5.847 21.358 44.976 1.00 17.06 C ATOM 375 OH TYR A 55 -6.260 21.195 46.268 1.00 19.90 O ATOM 0 H TYR A 55 -6.802 23.512 40.990 1.00 13.72 H new ATOM 0 HA TYR A 55 -5.278 22.316 39.093 1.00 13.59 H new ATOM 0 HB2 TYR A 55 -4.158 20.945 40.621 1.00 14.19 H new ATOM 0 HB3 TYR A 55 -3.804 22.441 40.886 1.00 14.19 H new ATOM 0 HD1 TYR A 55 -4.764 23.585 42.922 1.00 15.87 H new ATOM 0 HD2 TYR A 55 -5.375 19.662 42.285 1.00 16.66 H new ATOM 0 HE1 TYR A 55 -5.474 23.340 45.090 1.00 15.39 H new ATOM 0 HE2 TYR A 55 -6.083 19.424 44.451 1.00 17.84 H new ATOM 0 HH TYR A 55 -5.874 21.757 46.759 1.00 19.90 H new ATOM 376 N GLY A 56 -6.451 20.068 39.290 1.00 13.51 N ATOM 377 CA GLY A 56 -7.478 19.068 39.094 1.00 14.08 C ATOM 378 C GLY A 56 -6.998 17.958 38.186 1.00 14.26 C ATOM 379 O GLY A 56 -5.811 17.619 38.156 1.00 13.68 O ATOM 0 H GLY A 56 -5.677 19.874 38.970 1.00 13.51 H new ATOM 0 HA2 GLY A 56 -7.739 18.697 39.951 1.00 14.08 H new ATOM 0 HA3 GLY A 56 -8.267 19.483 38.712 1.00 14.08 H new ATOM 380 N TRP A 57 -7.954 17.394 37.455 1.00 12.58 N ATOM 381 CA TRP A 57 -7.716 16.196 36.633 1.00 11.79 C ATOM 382 C TRP A 57 -8.171 16.489 35.208 1.00 11.54 C ATOM 383 O TRP A 57 -9.146 17.238 35.005 1.00 12.21 O ATOM 384 CB TRP A 57 -8.567 15.061 37.179 1.00 12.89 C ATOM 385 CG TRP A 57 -8.134 14.610 38.541 1.00 12.27 C ATOM 386 CD1 TRP A 57 -8.778 14.861 39.735 1.00 13.01 C ATOM 387 CD2 TRP A 57 -6.959 13.871 38.859 1.00 13.84 C ATOM 388 NE1 TRP A 57 -8.073 14.294 40.765 1.00 10.82 N ATOM 389 CE2 TRP A 57 -6.965 13.661 40.259 1.00 15.15 C ATOM 390 CE3 TRP A 57 -5.921 13.304 38.091 1.00 13.79 C ATOM 391 CZ2 TRP A 57 -5.958 12.949 40.919 1.00 14.16 C ATOM 392 CZ3 TRP A 57 -4.917 12.586 38.744 1.00 15.45 C ATOM 393 CH2 TRP A 57 -4.953 12.396 40.150 1.00 12.99 C ATOM 0 H TRP A 57 -8.761 17.690 37.417 1.00 12.58 H new ATOM 0 HA TRP A 57 -6.776 15.957 36.649 1.00 11.79 H new ATOM 0 HB2 TRP A 57 -9.493 15.347 37.217 1.00 12.89 H new ATOM 0 HB3 TRP A 57 -8.527 14.310 36.567 1.00 12.89 H new ATOM 0 HD1 TRP A 57 -9.569 15.341 39.827 1.00 13.01 H new ATOM 0 HE1 TRP A 57 -8.290 14.329 41.596 1.00 10.82 H new ATOM 0 HE3 TRP A 57 -5.905 13.406 37.167 1.00 13.79 H new ATOM 0 HZ2 TRP A 57 -5.965 12.851 41.844 1.00 14.16 H new ATOM 0 HZ3 TRP A 57 -4.215 12.227 38.251 1.00 15.45 H new ATOM 0 HH2 TRP A 57 -4.289 11.891 40.560 1.00 12.99 H new ATOM 394 N ALA A 58 -7.482 15.911 34.217 1.00 11.72 N ATOM 395 CA ALA A 58 -7.868 16.105 32.813 1.00 13.60 C ATOM 396 C ALA A 58 -7.608 14.858 31.992 1.00 12.96 C ATOM 397 O ALA A 58 -6.653 14.126 32.244 1.00 12.77 O ATOM 398 CB ALA A 58 -7.102 17.300 32.203 1.00 14.04 C ATOM 0 H ALA A 58 -6.795 15.408 34.335 1.00 11.72 H new ATOM 0 HA ALA A 58 -8.820 16.291 32.793 1.00 13.60 H new ATOM 0 HB1 ALA A 58 -7.367 17.416 31.277 1.00 14.04 H new ATOM 0 HB2 ALA A 58 -7.309 18.106 32.701 1.00 14.04 H new ATOM 0 HB3 ALA A 58 -6.148 17.130 32.247 1.00 14.04 H new ATOM 399 N SER A 59 -8.442 14.648 30.980 1.00 13.21 N ATOM 400 CA SER A 59 -8.151 13.649 29.962 1.00 13.50 C ATOM 401 C SER A 59 -8.446 14.246 28.589 1.00 14.60 C ATOM 402 O SER A 59 -9.229 15.218 28.486 1.00 13.63 O ATOM 403 CB SER A 59 -8.959 12.396 30.186 1.00 12.91 C ATOM 404 OG SER A 59 -10.370 12.634 30.051 1.00 13.61 O ATOM 0 H SER A 59 -9.181 15.073 30.865 1.00 13.21 H new ATOM 0 HA SER A 59 -7.215 13.401 30.014 1.00 13.50 H new ATOM 0 HB2 SER A 59 -8.684 11.717 29.550 1.00 12.91 H new ATOM 0 HB3 SER A 59 -8.774 12.047 31.072 1.00 12.91 H new ATOM 0 HG SER A 59 -10.703 12.782 30.808 1.00 13.61 H new ATOM 405 N VAL A 60 -7.844 13.644 27.559 1.00 14.59 N ATOM 406 CA VAL A 60 -8.050 14.113 26.182 1.00 16.38 C ATOM 407 C VAL A 60 -8.752 12.992 25.426 1.00 17.57 C ATOM 408 O VAL A 60 -8.270 11.853 25.388 1.00 17.33 O ATOM 409 CB VAL A 60 -6.707 14.493 25.508 1.00 16.38 C ATOM 410 CG1 VAL A 60 -6.935 14.790 24.006 1.00 17.63 C ATOM 411 CG2 VAL A 60 -6.126 15.696 26.208 1.00 17.87 C ATOM 0 H VAL A 60 -7.317 12.969 27.634 1.00 14.59 H new ATOM 0 HA VAL A 60 -8.592 14.917 26.176 1.00 16.38 H new ATOM 0 HB VAL A 60 -6.083 13.754 25.579 1.00 16.38 H new ATOM 0 HG11 VAL A 60 -6.091 15.027 23.591 1.00 17.63 H new ATOM 0 HG12 VAL A 60 -7.299 14.002 23.572 1.00 17.63 H new ATOM 0 HG13 VAL A 60 -7.559 15.527 23.913 1.00 17.63 H new ATOM 0 HG21 VAL A 60 -5.285 15.939 25.790 1.00 17.87 H new ATOM 0 HG22 VAL A 60 -6.746 16.439 26.142 1.00 17.87 H new ATOM 0 HG23 VAL A 60 -5.973 15.485 27.142 1.00 17.87 H new ATOM 412 N GLY A 61 -9.911 13.305 24.846 1.00 18.19 N ATOM 413 CA GLY A 61 -10.716 12.274 24.187 1.00 20.14 C ATOM 414 C GLY A 61 -10.928 11.085 25.101 1.00 19.91 C ATOM 415 O GLY A 61 -11.344 11.222 26.264 1.00 19.94 O ATOM 0 H GLY A 61 -10.246 14.097 24.822 1.00 18.19 H new ATOM 0 HA2 GLY A 61 -11.574 12.645 23.929 1.00 20.14 H new ATOM 0 HA3 GLY A 61 -10.275 11.986 23.373 1.00 20.14 H new ATOM 416 N SER A 62 -10.591 9.904 24.611 1.00 20.67 N ATOM 417 CA SER A 62 -10.839 8.691 25.381 1.00 21.38 C ATOM 418 C SER A 62 -9.588 8.256 26.152 1.00 21.31 C ATOM 419 O SER A 62 -9.519 7.120 26.652 1.00 22.52 O ATOM 420 CB SER A 62 -11.296 7.552 24.444 1.00 22.22 C ATOM 421 OG SER A 62 -10.308 7.362 23.434 1.00 24.90 O ATOM 0 H SER A 62 -10.222 9.780 23.844 1.00 20.67 H new ATOM 0 HA SER A 62 -11.540 8.884 26.023 1.00 21.38 H new ATOM 0 HB2 SER A 62 -11.422 6.733 24.948 1.00 22.22 H new ATOM 0 HB3 SER A 62 -12.150 7.772 24.041 1.00 22.22 H new ATOM 0 HG SER A 62 -10.548 6.742 22.920 1.00 24.90 H new ATOM 422 N GLY A 63 -8.615 9.158 26.245 1.00 19.96 N ATOM 423 CA GLY A 63 -7.355 8.903 26.936 1.00 18.26 C ATOM 424 C GLY A 63 -7.456 8.783 28.450 1.00 17.39 C ATOM 425 O GLY A 63 -8.510 8.964 29.073 1.00 16.70 O ATOM 0 H GLY A 63 -8.669 9.946 25.904 1.00 19.96 H new ATOM 0 HA2 GLY A 63 -6.971 8.084 26.586 1.00 18.26 H new ATOM 0 HA3 GLY A 63 -6.736 9.619 26.724 1.00 18.26 H new ATOM 426 N ASP A 64 -6.319 8.467 29.055 1.00 16.89 N ATOM 427 CA ASP A 64 -6.241 8.339 30.490 1.00 16.15 C ATOM 428 C ASP A 64 -6.329 9.709 31.198 1.00 14.70 C ATOM 429 O ASP A 64 -6.109 10.765 30.587 1.00 16.12 O ATOM 430 CB ASP A 64 -4.934 7.652 30.847 1.00 17.09 C ATOM 431 CG ASP A 64 -4.945 6.140 30.550 1.00 19.94 C ATOM 432 OD1 ASP A 64 -6.016 5.555 30.303 1.00 22.78 O ATOM 433 OD2 ASP A 64 -3.906 5.455 30.580 1.00 25.36 O ATOM 0 H ASP A 64 -5.578 8.323 28.643 1.00 16.89 H new ATOM 0 HA ASP A 64 -6.996 7.811 30.794 1.00 16.15 H new ATOM 0 HB2 ASP A 64 -4.211 8.068 30.352 1.00 17.09 H new ATOM 0 HB3 ASP A 64 -4.749 7.790 31.789 1.00 17.09 H new ATOM 434 N VAL A 65 -6.653 9.649 32.484 1.00 12.69 N ATOM 435 CA VAL A 65 -6.813 10.844 33.308 1.00 13.40 C ATOM 436 C VAL A 65 -5.475 11.199 33.959 1.00 12.44 C ATOM 437 O VAL A 65 -4.794 10.329 34.552 1.00 14.20 O ATOM 438 CB VAL A 65 -7.892 10.607 34.400 1.00 12.89 C ATOM 439 CG1 VAL A 65 -8.157 11.907 35.170 1.00 13.54 C ATOM 440 CG2 VAL A 65 -9.199 10.106 33.732 1.00 13.99 C ATOM 0 H VAL A 65 -6.787 8.912 32.906 1.00 12.69 H new ATOM 0 HA VAL A 65 -7.101 11.580 32.746 1.00 13.40 H new ATOM 0 HB VAL A 65 -7.574 9.937 35.025 1.00 12.89 H new ATOM 0 HG11 VAL A 65 -8.831 11.749 35.849 1.00 13.54 H new ATOM 0 HG12 VAL A 65 -7.337 12.206 35.593 1.00 13.54 H new ATOM 0 HG13 VAL A 65 -8.471 12.589 34.556 1.00 13.54 H new ATOM 0 HG21 VAL A 65 -9.874 9.957 34.413 1.00 13.99 H new ATOM 0 HG22 VAL A 65 -9.517 10.772 33.102 1.00 13.99 H new ATOM 0 HG23 VAL A 65 -9.025 9.275 33.263 1.00 13.99 H new ATOM 441 N HIS A 66 -5.097 12.472 33.849 1.00 12.62 N ATOM 442 CA HIS A 66 -3.789 12.955 34.318 1.00 13.14 C ATOM 443 C HIS A 66 -4.005 14.175 35.202 1.00 12.91 C ATOM 444 O HIS A 66 -5.046 14.845 35.115 1.00 14.44 O ATOM 445 CB HIS A 66 -2.899 13.373 33.136 1.00 14.10 C ATOM 446 CG HIS A 66 -2.667 12.270 32.143 1.00 16.02 C ATOM 447 ND1 HIS A 66 -1.922 11.154 32.434 1.00 19.61 N ATOM 448 CD2 HIS A 66 -3.110 12.107 30.871 1.00 16.86 C ATOM 449 CE1 HIS A 66 -1.920 10.338 31.391 1.00 18.13 C ATOM 450 NE2 HIS A 66 -2.617 10.902 30.425 1.00 18.12 N ATOM 0 H HIS A 66 -5.590 13.084 33.500 1.00 12.62 H new ATOM 0 HA HIS A 66 -3.354 12.238 34.806 1.00 13.14 H new ATOM 0 HB2 HIS A 66 -3.308 14.126 32.682 1.00 14.10 H new ATOM 0 HB3 HIS A 66 -2.043 13.678 33.476 1.00 14.10 H new ATOM 0 HD1 HIS A 66 -1.519 11.007 33.179 1.00 19.61 H new ATOM 0 HD2 HIS A 66 -3.645 12.697 30.392 1.00 16.86 H new ATOM 0 HE1 HIS A 66 -1.499 9.510 31.348 1.00 18.13 H new ATOM 451 N LYS A 67 -3.012 14.468 36.044 1.00 12.35 N ATOM 452 CA LYS A 67 -3.046 15.709 36.840 1.00 13.38 C ATOM 453 C LYS A 67 -2.913 16.949 35.958 1.00 12.84 C ATOM 454 O LYS A 67 -2.334 16.878 34.877 1.00 15.01 O ATOM 455 CB LYS A 67 -1.941 15.680 37.893 1.00 11.82 C ATOM 456 CG LYS A 67 -2.129 14.503 38.863 1.00 12.19 C ATOM 457 CD LYS A 67 -1.003 14.493 39.904 1.00 14.35 C ATOM 458 CE LYS A 67 -1.195 13.364 40.930 1.00 13.77 C ATOM 459 NZ LYS A 67 -0.040 13.308 41.970 1.00 14.71 N ATOM 0 H LYS A 67 -2.319 13.974 36.171 1.00 12.35 H new ATOM 0 HA LYS A 67 -3.908 15.759 37.282 1.00 13.38 H new ATOM 0 HB2 LYS A 67 -1.077 15.609 37.457 1.00 11.82 H new ATOM 0 HB3 LYS A 67 -1.941 16.514 38.388 1.00 11.82 H new ATOM 0 HG2 LYS A 67 -2.989 14.574 39.307 1.00 12.19 H new ATOM 0 HG3 LYS A 67 -2.132 13.667 38.371 1.00 12.19 H new ATOM 0 HD2 LYS A 67 -0.149 14.384 39.457 1.00 14.35 H new ATOM 0 HD3 LYS A 67 -0.977 15.347 40.362 1.00 14.35 H new ATOM 0 HE2 LYS A 67 -2.038 13.490 41.393 1.00 13.77 H new ATOM 0 HE3 LYS A 67 -1.251 12.514 40.466 1.00 13.77 H new ATOM 0 HZ1 LYS A 67 -0.150 12.600 42.498 1.00 14.71 H new ATOM 0 HZ2 LYS A 67 0.739 13.242 41.545 1.00 14.71 H new ATOM 0 HZ3 LYS A 67 -0.047 14.049 42.462 1.00 14.71 H new ATOM 460 N MET A 68 -3.456 18.068 36.416 1.00 12.61 N ATOM 461 CA MET A 68 -3.377 19.297 35.644 1.00 13.43 C ATOM 462 C MET A 68 -3.482 20.513 36.554 1.00 13.79 C ATOM 463 O MET A 68 -3.874 20.413 37.737 1.00 12.88 O ATOM 464 CB MET A 68 -4.450 19.376 34.538 1.00 12.58 C ATOM 465 CG MET A 68 -5.904 19.238 35.057 1.00 12.46 C ATOM 466 SD MET A 68 -6.419 20.759 35.834 1.00 17.44 S ATOM 467 CE MET A 68 -8.227 20.673 35.408 1.00 16.16 C ATOM 0 H MET A 68 -3.872 18.137 37.166 1.00 12.61 H new ATOM 0 HA MET A 68 -2.511 19.292 35.208 1.00 13.43 H new ATOM 0 HB2 MET A 68 -4.361 20.223 34.074 1.00 12.58 H new ATOM 0 HB3 MET A 68 -4.282 18.677 33.887 1.00 12.58 H new ATOM 0 HG2 MET A 68 -6.499 19.024 34.322 1.00 12.46 H new ATOM 0 HG3 MET A 68 -5.961 18.506 35.691 1.00 12.46 H new ATOM 0 HE1 MET A 68 -8.753 20.975 36.165 1.00 16.16 H new ATOM 0 HE2 MET A 68 -8.407 21.241 34.643 1.00 16.16 H new ATOM 0 HE3 MET A 68 -8.466 19.758 35.194 1.00 16.16 H new ATOM 468 N VAL A 69 -3.040 21.632 35.979 1.00 13.14 N ATOM 469 CA VAL A 69 -3.280 22.952 36.575 1.00 12.61 C ATOM 470 C VAL A 69 -4.024 23.799 35.553 1.00 13.35 C ATOM 471 O VAL A 69 -3.841 23.607 34.347 1.00 13.81 O ATOM 472 CB VAL A 69 -2.003 23.676 37.009 1.00 12.88 C ATOM 473 CG1 VAL A 69 -1.343 22.999 38.256 1.00 13.99 C ATOM 474 CG2 VAL A 69 -0.973 23.735 35.874 1.00 11.75 C ATOM 0 H VAL A 69 -2.598 21.650 35.242 1.00 13.14 H new ATOM 0 HA VAL A 69 -3.798 22.819 37.384 1.00 12.61 H new ATOM 0 HB VAL A 69 -2.272 24.578 37.245 1.00 12.88 H new ATOM 0 HG11 VAL A 69 -0.539 23.484 38.500 1.00 13.99 H new ATOM 0 HG12 VAL A 69 -1.966 23.012 38.999 1.00 13.99 H new ATOM 0 HG13 VAL A 69 -1.114 22.081 38.043 1.00 13.99 H new ATOM 0 HG21 VAL A 69 -0.178 24.199 36.182 1.00 11.75 H new ATOM 0 HG22 VAL A 69 -0.737 22.834 35.604 1.00 11.75 H new ATOM 0 HG23 VAL A 69 -1.352 24.210 35.118 1.00 11.75 H new ATOM 475 N VAL A 70 -4.855 24.698 36.050 1.00 13.20 N ATOM 476 CA VAL A 70 -5.608 25.621 35.190 1.00 13.34 C ATOM 477 C VAL A 70 -5.359 27.031 35.673 1.00 14.06 C ATOM 478 O VAL A 70 -5.420 27.288 36.896 1.00 14.81 O ATOM 479 CB VAL A 70 -7.156 25.337 35.330 1.00 14.77 C ATOM 480 CG1 VAL A 70 -7.975 26.466 34.646 1.00 18.21 C ATOM 481 CG2 VAL A 70 -7.521 24.014 34.644 1.00 18.04 C ATOM 0 H VAL A 70 -5.004 24.798 36.891 1.00 13.20 H new ATOM 0 HA VAL A 70 -5.328 25.505 34.269 1.00 13.34 H new ATOM 0 HB VAL A 70 -7.364 25.294 36.276 1.00 14.77 H new ATOM 0 HG11 VAL A 70 -8.923 26.280 34.739 1.00 18.21 H new ATOM 0 HG12 VAL A 70 -7.770 27.315 35.067 1.00 18.21 H new ATOM 0 HG13 VAL A 70 -7.745 26.508 33.705 1.00 18.21 H new ATOM 0 HG21 VAL A 70 -8.473 23.853 34.738 1.00 18.04 H new ATOM 0 HG22 VAL A 70 -7.293 24.064 33.702 1.00 18.04 H new ATOM 0 HG23 VAL A 70 -7.028 23.288 35.058 1.00 18.04 H new ATOM 482 N SER A 71 -5.083 27.951 34.738 1.00 12.90 N ATOM 483 CA SER A 71 -5.041 29.371 35.050 1.00 13.53 C ATOM 484 C SER A 71 -6.297 30.055 34.525 1.00 14.43 C ATOM 485 O SER A 71 -6.566 29.996 33.329 1.00 14.50 O ATOM 486 CB SER A 71 -3.805 30.000 34.421 1.00 14.78 C ATOM 487 OG SER A 71 -3.757 31.396 34.640 1.00 18.20 O ATOM 0 H SER A 71 -4.918 27.764 33.915 1.00 12.90 H new ATOM 0 HA SER A 71 -5.000 29.484 36.012 1.00 13.53 H new ATOM 0 HB2 SER A 71 -3.009 29.587 34.790 1.00 14.78 H new ATOM 0 HB3 SER A 71 -3.801 29.822 33.468 1.00 14.78 H new ATOM 0 HG SER A 71 -3.812 31.797 33.904 1.00 18.20 H new ATOM 488 N ILE A 72 -7.042 30.691 35.420 1.00 13.81 N ATOM 489 CA ILE A 72 -8.216 31.488 35.023 1.00 15.08 C ATOM 490 C ILE A 72 -7.867 32.953 35.206 1.00 15.03 C ATOM 491 O ILE A 72 -7.496 33.362 36.304 1.00 14.56 O ATOM 492 CB ILE A 72 -9.434 31.086 35.868 1.00 14.24 C ATOM 493 CG1 ILE A 72 -9.714 29.580 35.626 1.00 17.14 C ATOM 494 CG2 ILE A 72 -10.646 31.990 35.506 1.00 15.37 C ATOM 495 CD1 ILE A 72 -10.946 28.998 36.240 1.00 22.68 C ATOM 0 H ILE A 72 -6.891 30.679 36.267 1.00 13.81 H new ATOM 0 HA ILE A 72 -8.447 31.327 34.095 1.00 15.08 H new ATOM 0 HB ILE A 72 -9.266 31.215 36.815 1.00 14.24 H new ATOM 0 HG12 ILE A 72 -9.760 29.435 34.668 1.00 17.14 H new ATOM 0 HG13 ILE A 72 -8.951 29.078 35.953 1.00 17.14 H new ATOM 0 HG21 ILE A 72 -11.413 31.733 36.042 1.00 15.37 H new ATOM 0 HG22 ILE A 72 -10.423 32.917 35.685 1.00 15.37 H new ATOM 0 HG23 ILE A 72 -10.859 31.885 34.566 1.00 15.37 H new ATOM 0 HD11 ILE A 72 -11.006 28.056 36.016 1.00 22.68 H new ATOM 0 HD12 ILE A 72 -10.906 29.099 37.204 1.00 22.68 H new ATOM 0 HD13 ILE A 72 -11.727 29.461 35.899 1.00 22.68 H new ATOM 496 N GLY A 73 -7.977 33.748 34.144 1.00 14.58 N ATOM 497 CA GLY A 73 -7.592 35.138 34.210 1.00 13.93 C ATOM 498 C GLY A 73 -8.632 36.024 33.577 1.00 14.18 C ATOM 499 O GLY A 73 -9.693 35.537 33.187 1.00 13.77 O ATOM 0 H GLY A 73 -8.274 33.494 33.378 1.00 14.58 H new ATOM 0 HA2 GLY A 73 -7.464 35.397 35.136 1.00 13.93 H new ATOM 0 HA3 GLY A 73 -6.741 35.262 33.761 1.00 13.93 H new ATOM 500 N TRP A 74 -8.358 37.320 33.528 1.00 14.18 N ATOM 501 CA TRP A 74 -9.239 38.236 32.817 1.00 16.30 C ATOM 502 C TRP A 74 -8.715 38.377 31.386 1.00 18.85 C ATOM 503 O TRP A 74 -7.503 38.486 31.167 1.00 20.72 O ATOM 504 CB TRP A 74 -9.250 39.589 33.512 1.00 15.78 C ATOM 505 CG TRP A 74 -9.890 39.550 34.862 1.00 15.46 C ATOM 506 CD1 TRP A 74 -9.250 39.675 36.095 1.00 16.77 C ATOM 507 CD2 TRP A 74 -11.276 39.390 35.144 1.00 13.69 C ATOM 508 NE1 TRP A 74 -10.182 39.607 37.105 1.00 15.62 N ATOM 509 CE2 TRP A 74 -11.427 39.423 36.558 1.00 16.49 C ATOM 510 CE3 TRP A 74 -12.422 39.216 34.352 1.00 14.49 C ATOM 511 CZ2 TRP A 74 -12.667 39.292 37.181 1.00 17.17 C ATOM 512 CZ3 TRP A 74 -13.655 39.095 34.962 1.00 18.37 C ATOM 513 CH2 TRP A 74 -13.770 39.135 36.386 1.00 18.45 C ATOM 0 H TRP A 74 -7.673 37.688 33.896 1.00 14.18 H new ATOM 0 HA TRP A 74 -10.147 37.895 32.807 1.00 16.30 H new ATOM 0 HB2 TRP A 74 -8.338 39.908 33.601 1.00 15.78 H new ATOM 0 HB3 TRP A 74 -9.721 40.229 32.955 1.00 15.78 H new ATOM 0 HD1 TRP A 74 -8.335 39.787 36.216 1.00 16.77 H new ATOM 0 HE1 TRP A 74 -10.011 39.670 37.946 1.00 15.62 H new ATOM 0 HE3 TRP A 74 -12.351 39.183 33.425 1.00 14.49 H new ATOM 0 HZ2 TRP A 74 -12.742 39.311 38.108 1.00 17.17 H new ATOM 0 HZ3 TRP A 74 -14.418 38.986 34.441 1.00 18.37 H new ATOM 0 HH2 TRP A 74 -14.609 39.053 36.779 1.00 18.45 H new ATOM 514 N ASN A 75 -9.639 38.302 30.438 1.00 20.50 N ATOM 515 CA ASN A 75 -9.355 38.560 29.032 1.00 22.04 C ATOM 516 C ASN A 75 -9.415 40.063 28.745 1.00 22.48 C ATOM 517 O ASN A 75 -10.515 40.685 28.792 1.00 22.72 O ATOM 518 CB ASN A 75 -10.341 37.803 28.142 1.00 22.58 C ATOM 519 CG ASN A 75 -9.941 37.812 26.669 1.00 25.84 C ATOM 520 OD1 ASN A 75 -9.109 38.613 26.224 1.00 28.69 O ATOM 521 ND2 ASN A 75 -10.557 36.919 25.904 1.00 27.33 N ATOM 0 H ASN A 75 -10.460 38.097 30.594 1.00 20.50 H new ATOM 0 HA ASN A 75 -8.459 38.245 28.833 1.00 22.04 H new ATOM 0 HB2 ASN A 75 -10.407 36.885 28.449 1.00 22.58 H new ATOM 0 HB3 ASN A 75 -11.222 38.197 28.235 1.00 22.58 H new ATOM 0 HD21 ASN A 75 -10.383 36.881 25.063 1.00 27.33 H new ATOM 0 HD22 ASN A 75 -11.130 36.379 26.250 1.00 27.33 H new ATOM 522 N PRO A 76 -8.234 40.616 28.432 1.00 22.56 N ATOM 523 CA PRO A 76 -8.074 42.015 27.971 1.00 24.89 C ATOM 524 C PRO A 76 -8.865 42.389 26.681 1.00 25.23 C ATOM 525 O PRO A 76 -9.254 43.547 26.457 1.00 26.90 O ATOM 526 CB PRO A 76 -6.543 42.117 27.706 1.00 24.10 C ATOM 527 CG PRO A 76 -5.899 40.994 28.471 1.00 24.60 C ATOM 528 CD PRO A 76 -6.945 39.895 28.487 1.00 22.84 C ATOM 0 HA PRO A 76 -8.428 42.630 28.632 1.00 24.89 H new ATOM 0 HB2 PRO A 76 -6.351 42.043 26.758 1.00 24.10 H new ATOM 0 HB3 PRO A 76 -6.199 42.975 27.999 1.00 24.10 H new ATOM 0 HG2 PRO A 76 -5.082 40.697 28.041 1.00 24.60 H new ATOM 0 HG3 PRO A 76 -5.663 41.270 29.370 1.00 24.60 H new ATOM 0 HD2 PRO A 76 -6.841 39.297 27.730 1.00 22.84 H new ATOM 0 HD3 PRO A 76 -6.877 39.353 29.289 1.00 22.84 H new ATOM 529 N TYR A 77 -9.149 41.396 25.859 1.00 26.23 N ATOM 530 CA TYR A 77 -9.480 41.623 24.448 1.00 26.77 C ATOM 531 C TYR A 77 -10.955 41.584 24.052 1.00 27.15 C ATOM 532 O TYR A 77 -11.305 42.000 22.932 1.00 27.55 O ATOM 533 CB TYR A 77 -8.672 40.673 23.561 1.00 26.18 C ATOM 534 CG TYR A 77 -7.182 40.718 23.815 1.00 26.30 C ATOM 535 CD1 TYR A 77 -6.459 41.887 23.632 1.00 27.30 C ATOM 536 CD2 TYR A 77 -6.496 39.572 24.247 1.00 29.39 C ATOM 537 CE1 TYR A 77 -5.096 41.921 23.861 1.00 27.98 C ATOM 538 CE2 TYR A 77 -5.134 39.594 24.464 1.00 28.16 C ATOM 539 CZ TYR A 77 -4.445 40.769 24.268 1.00 29.33 C ATOM 540 OH TYR A 77 -3.094 40.787 24.513 1.00 31.10 O ATOM 0 H TYR A 77 -9.158 40.569 26.094 1.00 26.23 H new ATOM 0 HA TYR A 77 -9.235 42.551 24.306 1.00 26.77 H new ATOM 0 HB2 TYR A 77 -8.988 39.767 23.701 1.00 26.18 H new ATOM 0 HB3 TYR A 77 -8.840 40.892 22.631 1.00 26.18 H new ATOM 0 HD1 TYR A 77 -6.897 42.658 23.352 1.00 27.30 H new ATOM 0 HD2 TYR A 77 -6.968 38.784 24.389 1.00 29.39 H new ATOM 0 HE1 TYR A 77 -4.620 42.711 23.743 1.00 27.98 H new ATOM 0 HE2 TYR A 77 -4.688 38.826 24.739 1.00 28.16 H new ATOM 0 HH TYR A 77 -2.842 40.022 24.751 1.00 31.10 H new ATOM 541 N TYR A 78 -11.823 41.073 24.918 1.00 26.79 N ATOM 542 CA TYR A 78 -13.241 41.044 24.560 1.00 27.46 C ATOM 543 C TYR A 78 -14.048 42.087 25.305 1.00 28.59 C ATOM 544 O TYR A 78 -13.740 42.410 26.453 1.00 28.72 O ATOM 545 CB TYR A 78 -13.861 39.686 24.847 1.00 28.11 C ATOM 546 CG TYR A 78 -13.252 38.531 24.095 1.00 27.36 C ATOM 547 CD1 TYR A 78 -12.467 38.734 22.938 1.00 26.32 C ATOM 548 CD2 TYR A 78 -13.474 37.220 24.542 1.00 28.65 C ATOM 549 CE1 TYR A 78 -11.916 37.643 22.250 1.00 25.95 C ATOM 550 CE2 TYR A 78 -12.944 36.132 23.865 1.00 29.31 C ATOM 551 CZ TYR A 78 -12.170 36.345 22.723 1.00 26.59 C ATOM 552 OH TYR A 78 -11.664 35.231 22.111 1.00 25.46 O ATOM 0 H TYR A 78 -11.625 40.749 25.690 1.00 26.79 H new ATOM 0 HA TYR A 78 -13.271 41.234 23.609 1.00 27.46 H new ATOM 0 HB2 TYR A 78 -13.789 39.508 25.798 1.00 28.11 H new ATOM 0 HB3 TYR A 78 -14.807 39.727 24.637 1.00 28.11 H new ATOM 0 HD1 TYR A 78 -12.314 39.598 22.630 1.00 26.32 H new ATOM 0 HD2 TYR A 78 -13.985 37.078 25.306 1.00 28.65 H new ATOM 0 HE1 TYR A 78 -11.392 37.777 21.494 1.00 25.95 H new ATOM 0 HE2 TYR A 78 -13.103 35.268 24.169 1.00 29.31 H new ATOM 0 HH TYR A 78 -11.914 34.545 22.526 1.00 25.46 H new ATOM 553 N LYS A 79 -15.099 42.586 24.661 1.00 29.39 N ATOM 554 CA LYS A 79 -15.997 43.529 25.324 1.00 31.02 C ATOM 555 C LYS A 79 -16.792 42.816 26.419 1.00 31.61 C ATOM 556 O LYS A 79 -16.780 41.570 26.523 1.00 31.10 O ATOM 557 CB LYS A 79 -16.902 44.280 24.335 1.00 31.25 C ATOM 558 CG LYS A 79 -17.772 43.391 23.496 1.00 32.45 C ATOM 559 CD LYS A 79 -18.715 44.243 22.669 1.00 34.12 C ATOM 560 CE LYS A 79 -19.596 43.365 21.812 1.00 35.93 C ATOM 561 NZ LYS A 79 -20.830 44.096 21.419 1.00 34.67 N ATOM 0 H LYS A 79 -15.309 42.395 23.849 1.00 29.39 H new ATOM 0 HA LYS A 79 -15.453 44.214 25.744 1.00 31.02 H new ATOM 0 HB2 LYS A 79 -17.467 44.893 24.831 1.00 31.25 H new ATOM 0 HB3 LYS A 79 -16.347 44.818 23.749 1.00 31.25 H new ATOM 0 HG2 LYS A 79 -17.224 42.841 22.915 1.00 32.45 H new ATOM 0 HG3 LYS A 79 -18.278 42.788 24.063 1.00 32.45 H new ATOM 0 HD2 LYS A 79 -19.263 44.791 23.253 1.00 34.12 H new ATOM 0 HD3 LYS A 79 -18.206 44.848 22.107 1.00 34.12 H new ATOM 0 HE2 LYS A 79 -19.112 43.086 21.019 1.00 35.93 H new ATOM 0 HE3 LYS A 79 -19.831 42.559 22.299 1.00 35.93 H new ATOM 0 HZ1 LYS A 79 -21.340 43.569 20.915 1.00 34.67 H new ATOM 0 HZ2 LYS A 79 -21.280 44.333 22.149 1.00 34.67 H new ATOM 0 HZ3 LYS A 79 -20.610 44.824 20.957 1.00 34.67 H new ATOM 562 N ASN A 80 -17.490 43.623 27.217 1.00 32.66 N ATOM 563 CA ASN A 80 -17.923 43.223 28.547 1.00 33.18 C ATOM 564 C ASN A 80 -16.672 42.941 29.386 1.00 32.83 C ATOM 565 O ASN A 80 -15.667 43.690 29.317 1.00 34.07 O ATOM 566 CB ASN A 80 -18.911 42.036 28.517 1.00 33.71 C ATOM 567 CG ASN A 80 -19.989 42.181 27.445 1.00 35.58 C ATOM 568 OD1 ASN A 80 -20.437 43.296 27.118 1.00 35.54 O ATOM 569 ND2 ASN A 80 -20.413 41.042 26.887 1.00 38.81 N ATOM 0 H ASN A 80 -17.725 44.421 26.998 1.00 32.66 H new ATOM 0 HA ASN A 80 -18.427 43.943 28.957 1.00 33.18 H new ATOM 0 HB2 ASN A 80 -18.418 41.215 28.363 1.00 33.71 H new ATOM 0 HB3 ASN A 80 -19.335 41.953 29.385 1.00 33.71 H new ATOM 0 HD21 ASN A 80 -21.018 41.062 26.277 1.00 38.81 H new ATOM 0 HD22 ASN A 80 -20.080 40.290 27.139 1.00 38.81 H new ATOM 570 N THR A 81 -16.708 41.866 30.156 1.00 31.00 N ATOM 571 CA THR A 81 -15.659 41.620 31.131 1.00 29.69 C ATOM 572 C THR A 81 -15.437 40.119 31.236 1.00 27.41 C ATOM 573 O THR A 81 -15.857 39.479 32.202 1.00 28.68 O ATOM 574 CB THR A 81 -16.077 42.248 32.481 1.00 29.93 C ATOM 575 OG1 THR A 81 -16.069 43.679 32.335 1.00 31.71 O ATOM 576 CG2 THR A 81 -15.033 42.004 33.539 1.00 30.89 C ATOM 0 H THR A 81 -17.327 41.269 30.131 1.00 31.00 H new ATOM 0 HA THR A 81 -14.821 42.028 30.863 1.00 29.69 H new ATOM 0 HB THR A 81 -16.937 41.869 32.722 1.00 29.93 H new ATOM 0 HG1 THR A 81 -16.296 44.036 33.061 1.00 31.71 H new ATOM 0 HG21 THR A 81 -15.318 42.407 34.374 1.00 30.89 H new ATOM 0 HG22 THR A 81 -14.916 41.049 33.664 1.00 30.89 H new ATOM 0 HG23 THR A 81 -14.192 42.399 33.261 1.00 30.89 H new ATOM 577 N LYS A 82 -14.751 39.567 30.240 1.00 24.12 N ATOM 578 CA LYS A 82 -14.700 38.126 30.072 1.00 20.72 C ATOM 579 C LYS A 82 -13.430 37.518 30.672 1.00 18.64 C ATOM 580 O LYS A 82 -12.405 38.169 30.799 1.00 18.28 O ATOM 581 CB LYS A 82 -14.864 37.722 28.600 1.00 21.29 C ATOM 582 CG LYS A 82 -16.130 38.310 27.873 1.00 23.11 C ATOM 583 CD LYS A 82 -17.455 37.749 28.464 1.00 27.23 C ATOM 584 CE LYS A 82 -18.659 37.979 27.536 1.00 30.59 C ATOM 585 NZ LYS A 82 -18.713 36.937 26.462 1.00 33.96 N ATOM 0 H LYS A 82 -14.309 40.013 29.652 1.00 24.12 H new ATOM 0 HA LYS A 82 -15.452 37.763 30.565 1.00 20.72 H new ATOM 0 HB2 LYS A 82 -14.072 38.001 28.114 1.00 21.29 H new ATOM 0 HB3 LYS A 82 -14.901 36.754 28.549 1.00 21.29 H new ATOM 0 HG2 LYS A 82 -16.126 39.277 27.950 1.00 23.11 H new ATOM 0 HG3 LYS A 82 -16.085 38.101 26.927 1.00 23.11 H new ATOM 0 HD2 LYS A 82 -17.355 36.798 28.629 1.00 27.23 H new ATOM 0 HD3 LYS A 82 -17.627 38.169 29.321 1.00 27.23 H new ATOM 0 HE2 LYS A 82 -19.479 37.958 28.053 1.00 30.59 H new ATOM 0 HE3 LYS A 82 -18.599 38.860 27.134 1.00 30.59 H new ATOM 0 HZ1 LYS A 82 -19.487 36.998 26.027 1.00 33.96 H new ATOM 0 HZ2 LYS A 82 -18.042 37.064 25.891 1.00 33.96 H new ATOM 0 HZ3 LYS A 82 -18.642 36.129 26.828 1.00 33.96 H new ATOM 586 N LYS A 83 -13.536 36.256 31.050 1.00 17.14 N ATOM 587 CA LYS A 83 -12.419 35.548 31.592 1.00 15.51 C ATOM 588 C LYS A 83 -11.736 34.716 30.527 1.00 15.91 C ATOM 589 O LYS A 83 -12.252 34.545 29.435 1.00 15.90 O ATOM 590 CB LYS A 83 -12.853 34.652 32.734 1.00 15.13 C ATOM 591 CG LYS A 83 -13.286 35.445 33.949 1.00 18.32 C ATOM 592 CD LYS A 83 -13.724 34.523 35.052 1.00 18.23 C ATOM 593 CE LYS A 83 -13.994 35.319 36.341 1.00 22.01 C ATOM 594 NZ LYS A 83 -15.435 35.623 36.434 1.00 23.68 N ATOM 0 H LYS A 83 -14.260 35.795 30.996 1.00 17.14 H new ATOM 0 HA LYS A 83 -11.790 36.206 31.927 1.00 15.51 H new ATOM 0 HB2 LYS A 83 -13.585 34.088 32.440 1.00 15.13 H new ATOM 0 HB3 LYS A 83 -12.121 34.064 32.978 1.00 15.13 H new ATOM 0 HG2 LYS A 83 -12.553 36.001 34.257 1.00 18.32 H new ATOM 0 HG3 LYS A 83 -14.013 36.041 33.710 1.00 18.32 H new ATOM 0 HD2 LYS A 83 -14.526 34.047 34.785 1.00 18.23 H new ATOM 0 HD3 LYS A 83 -13.039 33.855 35.215 1.00 18.23 H new ATOM 0 HE2 LYS A 83 -13.710 34.807 37.115 1.00 22.01 H new ATOM 0 HE3 LYS A 83 -13.479 36.141 36.340 1.00 22.01 H new ATOM 0 HZ1 LYS A 83 -15.594 36.083 37.179 1.00 23.68 H new ATOM 0 HZ2 LYS A 83 -15.683 36.106 35.729 1.00 23.68 H new ATOM 0 HZ3 LYS A 83 -15.898 34.863 36.451 1.00 23.68 H new ATOM 595 N SER A 84 -10.553 34.234 30.862 1.00 14.12 N ATOM 596 CA SER A 84 -9.811 33.293 30.016 1.00 14.62 C ATOM 597 C SER A 84 -9.463 32.064 30.839 1.00 14.80 C ATOM 598 O SER A 84 -9.452 32.139 32.072 1.00 15.55 O ATOM 599 CB ASER A 84 -8.516 33.950 29.548 0.50 14.94 C ATOM 600 CB BSER A 84 -8.574 33.949 29.427 0.50 15.35 C ATOM 601 OG ASER A 84 -7.695 34.318 30.655 0.50 15.27 O ATOM 602 OG BSER A 84 -8.928 34.712 28.285 0.50 19.27 O ATOM 0 H SER A 84 -10.147 34.441 31.592 1.00 14.12 H new ATOM 0 HA SER A 84 -10.351 33.044 29.250 1.00 14.62 H new ATOM 0 HB2ASER A 84 -8.031 33.340 28.971 0.50 15.35 H new ATOM 0 HB2BSER A 84 -8.155 34.520 30.090 0.50 15.35 H new ATOM 0 HB3ASER A 84 -8.722 34.737 29.019 0.50 15.35 H new ATOM 0 HB3BSER A 84 -7.924 33.271 29.184 0.50 15.35 H new ATOM 0 HG ASER A 84 -7.233 33.658 30.893 0.50 19.27 H new ATOM 0 HG BSER A 84 -8.240 35.073 27.965 0.50 19.27 H new ATOM 603 N MET A 85 -9.240 30.925 30.187 1.00 11.71 N ATOM 604 CA MET A 85 -8.907 29.709 30.916 1.00 13.04 C ATOM 605 C MET A 85 -7.928 28.933 30.063 1.00 13.51 C ATOM 606 O MET A 85 -8.159 28.789 28.852 1.00 13.69 O ATOM 607 CB MET A 85 -10.180 28.881 31.156 1.00 14.49 C ATOM 608 CG MET A 85 -10.018 27.478 31.618 1.00 17.55 C ATOM 609 SD AMET A 85 -11.719 26.723 31.539 0.50 19.73 S ATOM 610 SD BMET A 85 -11.478 26.706 32.409 0.50 22.00 S ATOM 611 CE AMET A 85 -11.193 25.164 32.336 0.50 17.51 C ATOM 612 CE BMET A 85 -12.653 27.615 31.595 0.50 14.29 C ATOM 0 H MET A 85 -9.276 30.837 29.332 1.00 11.71 H new ATOM 0 HA MET A 85 -8.517 29.915 31.780 1.00 13.04 H new ATOM 0 HB2 MET A 85 -10.721 29.350 31.811 1.00 14.49 H new ATOM 0 HB3 MET A 85 -10.686 28.866 30.328 1.00 14.49 H new ATOM 0 HG2AMET A 85 -9.395 26.995 31.053 0.50 17.55 H new ATOM 0 HG2BMET A 85 -9.763 26.935 30.856 0.50 17.55 H new ATOM 0 HG3AMET A 85 -9.664 27.447 32.521 0.50 17.55 H new ATOM 0 HG3BMET A 85 -9.280 27.449 32.247 0.50 17.55 H new ATOM 0 HE1AMET A 85 -11.954 24.567 32.413 0.50 14.29 H new ATOM 0 HE1BMET A 85 -13.536 27.299 31.843 0.50 14.29 H new ATOM 0 HE2AMET A 85 -10.504 24.742 31.799 0.50 14.29 H new ATOM 0 HE2BMET A 85 -12.565 28.550 31.838 0.50 14.29 H new ATOM 0 HE3AMET A 85 -10.842 25.355 33.220 0.50 14.29 H new ATOM 0 HE3BMET A 85 -12.532 27.518 30.638 0.50 14.29 H new ATOM 613 N GLU A 86 -6.876 28.430 30.701 1.00 12.78 N ATOM 614 CA GLU A 86 -5.932 27.566 30.002 1.00 12.76 C ATOM 615 C GLU A 86 -5.437 26.483 30.946 1.00 13.37 C ATOM 616 O GLU A 86 -5.285 26.707 32.162 1.00 14.85 O ATOM 617 CB GLU A 86 -4.788 28.397 29.424 1.00 13.88 C ATOM 618 CG GLU A 86 -3.926 29.022 30.499 1.00 16.30 C ATOM 619 CD GLU A 86 -2.780 29.834 29.947 1.00 20.53 C ATOM 620 OE1 GLU A 86 -2.634 30.001 28.704 1.00 20.51 O ATOM 621 OE2 GLU A 86 -2.002 30.329 30.801 1.00 21.90 O ATOM 0 H GLU A 86 -6.692 28.574 31.529 1.00 12.78 H new ATOM 0 HA GLU A 86 -6.373 27.129 29.257 1.00 12.76 H new ATOM 0 HB2 GLU A 86 -4.237 27.834 28.858 1.00 13.88 H new ATOM 0 HB3 GLU A 86 -5.153 29.096 28.859 1.00 13.88 H new ATOM 0 HG2 GLU A 86 -4.478 29.591 31.057 1.00 16.30 H new ATOM 0 HG3 GLU A 86 -3.573 28.322 31.070 1.00 16.30 H new ATOM 622 N THR A 87 -5.238 25.307 30.381 1.00 12.03 N ATOM 623 CA THR A 87 -4.932 24.122 31.174 1.00 12.29 C ATOM 624 C THR A 87 -3.616 23.532 30.743 1.00 12.23 C ATOM 625 O THR A 87 -3.432 23.251 29.552 1.00 12.82 O ATOM 626 CB THR A 87 -6.083 23.085 30.904 1.00 12.55 C ATOM 627 OG1 THR A 87 -7.349 23.657 31.359 1.00 13.55 O ATOM 628 CG2 THR A 87 -5.856 21.835 31.726 1.00 14.84 C ATOM 0 H THR A 87 -5.275 25.168 29.533 1.00 12.03 H new ATOM 0 HA THR A 87 -4.869 24.346 32.116 1.00 12.29 H new ATOM 0 HB THR A 87 -6.098 22.878 29.957 1.00 12.55 H new ATOM 0 HG1 THR A 87 -7.701 24.093 30.733 1.00 13.55 H new ATOM 0 HG21 THR A 87 -6.569 21.201 31.554 1.00 14.84 H new ATOM 0 HG22 THR A 87 -5.005 21.438 31.483 1.00 14.84 H new ATOM 0 HG23 THR A 87 -5.848 22.064 32.668 1.00 14.84 H new ATOM 629 N HIS A 88 -2.724 23.305 31.716 1.00 11.65 N ATOM 630 CA HIS A 88 -1.500 22.574 31.439 1.00 11.47 C ATOM 631 C HIS A 88 -1.650 21.200 32.075 1.00 12.43 C ATOM 632 O HIS A 88 -1.909 21.102 33.286 1.00 12.43 O ATOM 633 CB HIS A 88 -0.309 23.232 32.094 1.00 11.02 C ATOM 634 CG HIS A 88 0.922 22.382 32.005 1.00 12.56 C ATOM 635 ND1 HIS A 88 1.525 22.065 30.813 1.00 13.54 N ATOM 636 CD2 HIS A 88 1.585 21.697 32.960 1.00 14.68 C ATOM 637 CE1 HIS A 88 2.551 21.257 31.040 1.00 14.82 C ATOM 638 NE2 HIS A 88 2.618 21.028 32.341 1.00 13.48 N ATOM 0 H HIS A 88 -2.814 23.566 32.531 1.00 11.65 H new ATOM 0 HA HIS A 88 -1.360 22.541 30.480 1.00 11.47 H new ATOM 0 HB2 HIS A 88 -0.141 24.089 31.671 1.00 11.02 H new ATOM 0 HB3 HIS A 88 -0.511 23.410 33.026 1.00 11.02 H new ATOM 0 HD1 HIS A 88 1.276 22.347 30.040 1.00 13.54 H new ATOM 0 HD2 HIS A 88 1.382 21.680 33.867 1.00 14.68 H new ATOM 0 HE1 HIS A 88 3.125 20.911 30.395 1.00 14.82 H new ATOM 0 HE2 HIS A 88 3.208 20.542 32.735 1.00 13.48 H new ATOM 639 N ILE A 89 -1.526 20.153 31.271 1.00 12.31 N ATOM 640 CA ILE A 89 -1.630 18.789 31.774 1.00 12.76 C ATOM 641 C ILE A 89 -0.227 18.260 32.125 1.00 12.66 C ATOM 642 O ILE A 89 0.708 18.376 31.323 1.00 13.04 O ATOM 643 CB ILE A 89 -2.295 17.888 30.736 1.00 13.04 C ATOM 644 CG1 ILE A 89 -3.690 18.439 30.345 1.00 13.15 C ATOM 645 CG2 ILE A 89 -2.457 16.423 31.298 1.00 13.45 C ATOM 646 CD1 ILE A 89 -4.316 17.666 29.158 1.00 17.47 C ATOM 0 H ILE A 89 -1.380 20.211 30.425 1.00 12.31 H new ATOM 0 HA ILE A 89 -2.179 18.787 32.574 1.00 12.76 H new ATOM 0 HB ILE A 89 -1.726 17.871 29.950 1.00 13.04 H new ATOM 0 HG12 ILE A 89 -4.283 18.386 31.111 1.00 13.15 H new ATOM 0 HG13 ILE A 89 -3.611 19.377 30.112 1.00 13.15 H new ATOM 0 HG21 ILE A 89 -2.880 15.864 30.628 1.00 13.45 H new ATOM 0 HG22 ILE A 89 -1.584 16.061 31.515 1.00 13.45 H new ATOM 0 HG23 ILE A 89 -3.007 16.442 32.097 1.00 13.45 H new ATOM 0 HD11 ILE A 89 -5.185 18.043 28.948 1.00 17.47 H new ATOM 0 HD12 ILE A 89 -3.737 17.738 28.383 1.00 17.47 H new ATOM 0 HD13 ILE A 89 -4.419 16.732 29.398 1.00 17.47 H new ATOM 647 N MET A 90 -0.111 17.638 33.297 1.00 12.68 N ATOM 648 CA MET A 90 1.146 17.010 33.731 1.00 13.71 C ATOM 649 C MET A 90 1.284 15.626 33.094 1.00 14.31 C ATOM 650 O MET A 90 1.170 14.569 33.747 1.00 14.87 O ATOM 651 CB MET A 90 1.224 17.010 35.273 1.00 13.97 C ATOM 652 CG MET A 90 1.668 18.334 35.806 1.00 16.74 C ATOM 653 SD MET A 90 0.270 19.496 36.084 1.00 16.12 S ATOM 654 CE MET A 90 -0.137 19.057 37.796 1.00 15.65 C ATOM 0 H MET A 90 -0.754 17.566 33.864 1.00 12.68 H new ATOM 0 HA MET A 90 1.911 17.522 33.423 1.00 13.71 H new ATOM 0 HB2 MET A 90 0.354 16.788 35.641 1.00 13.97 H new ATOM 0 HB3 MET A 90 1.840 16.320 35.566 1.00 13.97 H new ATOM 0 HG2 MET A 90 2.142 18.199 36.642 1.00 16.74 H new ATOM 0 HG3 MET A 90 2.297 18.734 35.185 1.00 16.74 H new ATOM 0 HE1 MET A 90 -1.009 19.415 38.023 1.00 15.65 H new ATOM 0 HE2 MET A 90 -0.150 18.091 37.888 1.00 15.65 H new ATOM 0 HE3 MET A 90 0.530 19.430 38.393 1.00 15.65 H new ATOM 655 N HIS A 91 1.507 15.649 31.787 1.00 13.98 N ATOM 656 CA HIS A 91 1.714 14.420 31.023 1.00 14.27 C ATOM 657 C HIS A 91 2.406 14.805 29.734 1.00 15.51 C ATOM 658 O HIS A 91 2.079 15.821 29.127 1.00 14.48 O ATOM 659 CB HIS A 91 0.380 13.710 30.734 1.00 14.85 C ATOM 660 CG HIS A 91 0.521 12.487 29.871 1.00 16.59 C ATOM 661 ND1 HIS A 91 1.074 11.306 30.330 1.00 18.49 N ATOM 662 CD2 HIS A 91 0.169 12.264 28.581 1.00 17.11 C ATOM 663 CE1 HIS A 91 1.057 10.409 29.357 1.00 15.48 C ATOM 664 NE2 HIS A 91 0.524 10.970 28.282 1.00 16.95 N ATOM 0 H HIS A 91 1.543 16.369 31.318 1.00 13.98 H new ATOM 0 HA HIS A 91 2.256 13.797 31.532 1.00 14.27 H new ATOM 0 HB2 HIS A 91 -0.031 13.457 31.575 1.00 14.85 H new ATOM 0 HB3 HIS A 91 -0.222 14.334 30.300 1.00 14.85 H new ATOM 0 HD2 HIS A 91 -0.237 12.872 28.006 1.00 17.11 H new ATOM 0 HE1 HIS A 91 1.366 9.534 29.418 1.00 15.48 H new ATOM 0 HE2 HIS A 91 0.417 10.586 27.520 1.00 16.95 H new ATOM 665 N THR A 92 3.394 14.010 29.331 1.00 15.52 N ATOM 666 CA THR A 92 4.055 14.244 28.038 1.00 17.32 C ATOM 667 C THR A 92 3.282 13.592 26.909 1.00 18.18 C ATOM 668 O THR A 92 3.194 12.361 26.856 1.00 18.05 O ATOM 669 CB THR A 92 5.498 13.716 28.066 1.00 18.53 C ATOM 670 OG1 THR A 92 6.178 14.354 29.138 1.00 18.56 O ATOM 671 CG2 THR A 92 6.243 14.185 26.816 1.00 19.29 C ATOM 0 H THR A 92 3.696 13.340 29.778 1.00 15.52 H new ATOM 0 HA THR A 92 4.076 15.201 27.882 1.00 17.32 H new ATOM 0 HB THR A 92 5.474 12.749 28.138 1.00 18.53 H new ATOM 0 HG1 THR A 92 6.970 14.077 29.172 1.00 18.56 H new ATOM 0 HG21 THR A 92 7.153 13.850 26.837 1.00 19.29 H new ATOM 0 HG22 THR A 92 5.793 13.848 26.025 1.00 19.29 H new ATOM 0 HG23 THR A 92 6.256 15.155 26.792 1.00 19.29 H new ATOM 672 N PHE A 93 2.742 14.413 26.012 1.00 18.67 N ATOM 673 CA PHE A 93 2.022 13.924 24.838 1.00 20.45 C ATOM 674 C PHE A 93 2.971 13.893 23.653 1.00 22.25 C ATOM 675 O PHE A 93 3.828 14.775 23.522 1.00 24.04 O ATOM 676 CB PHE A 93 0.841 14.850 24.499 1.00 18.87 C ATOM 677 CG PHE A 93 -0.284 14.808 25.515 1.00 17.55 C ATOM 678 CD1 PHE A 93 -0.226 15.592 26.661 1.00 18.00 C ATOM 679 CD2 PHE A 93 -1.403 13.980 25.306 1.00 18.07 C ATOM 680 CE1 PHE A 93 -1.287 15.577 27.604 1.00 17.38 C ATOM 681 CE2 PHE A 93 -2.446 13.935 26.234 1.00 19.70 C ATOM 682 CZ PHE A 93 -2.384 14.732 27.390 1.00 18.36 C ATOM 0 H PHE A 93 2.783 15.270 26.067 1.00 18.67 H new ATOM 0 HA PHE A 93 1.683 13.036 25.029 1.00 20.45 H new ATOM 0 HB2 PHE A 93 1.166 15.761 24.427 1.00 18.87 H new ATOM 0 HB3 PHE A 93 0.489 14.605 23.629 1.00 18.87 H new ATOM 0 HD1 PHE A 93 0.516 16.132 26.812 1.00 18.00 H new ATOM 0 HD2 PHE A 93 -1.449 13.456 24.539 1.00 18.07 H new ATOM 0 HE1 PHE A 93 -1.254 16.123 28.356 1.00 17.38 H new ATOM 0 HE2 PHE A 93 -3.178 13.380 26.088 1.00 19.70 H new ATOM 0 HZ PHE A 93 -3.073 14.698 28.014 1.00 18.36 H new ATOM 683 N LYS A 94 2.756 12.927 22.769 1.00 25.07 N ATOM 684 CA LYS A 94 3.634 12.685 21.612 1.00 26.55 C ATOM 685 C LYS A 94 3.211 13.533 20.429 1.00 26.46 C ATOM 686 O LYS A 94 3.979 13.734 19.495 1.00 26.38 O ATOM 687 CB LYS A 94 3.594 11.209 21.195 1.00 27.29 C ATOM 688 CG LYS A 94 3.849 10.215 22.331 1.00 31.12 C ATOM 689 CD LYS A 94 5.287 9.653 22.306 1.00 34.31 C ATOM 690 CE LYS A 94 5.364 8.304 21.564 1.00 37.22 C ATOM 691 NZ LYS A 94 4.267 7.381 21.977 1.00 38.04 N ATOM 0 H LYS A 94 2.091 12.384 22.818 1.00 25.07 H new ATOM 0 HA LYS A 94 4.536 12.923 21.879 1.00 26.55 H new ATOM 0 HB2 LYS A 94 2.726 11.019 20.805 1.00 27.29 H new ATOM 0 HB3 LYS A 94 4.255 11.064 20.500 1.00 27.29 H new ATOM 0 HG2 LYS A 94 3.689 10.652 23.182 1.00 31.12 H new ATOM 0 HG3 LYS A 94 3.216 9.483 22.265 1.00 31.12 H new ATOM 0 HD2 LYS A 94 5.876 10.292 21.876 1.00 34.31 H new ATOM 0 HD3 LYS A 94 5.606 9.540 23.215 1.00 34.31 H new ATOM 0 HE2 LYS A 94 5.314 8.458 20.608 1.00 37.22 H new ATOM 0 HE3 LYS A 94 6.222 7.886 21.740 1.00 37.22 H new ATOM 0 HZ1 LYS A 94 4.525 6.538 21.852 1.00 38.04 H new ATOM 0 HZ2 LYS A 94 4.079 7.509 22.838 1.00 38.04 H new ATOM 0 HZ3 LYS A 94 3.541 7.544 21.488 1.00 38.04 H new ATOM 692 N GLU A 95 1.969 14.009 20.454 1.00 25.46 N ATOM 693 CA GLU A 95 1.526 14.965 19.446 1.00 25.20 C ATOM 694 C GLU A 95 0.569 15.938 20.050 1.00 23.60 C ATOM 695 O GLU A 95 0.048 15.692 21.136 1.00 23.00 O ATOM 696 CB GLU A 95 0.847 14.308 18.245 1.00 25.69 C ATOM 697 CG GLU A 95 -0.219 13.272 18.514 1.00 29.47 C ATOM 698 CD GLU A 95 -0.261 12.255 17.387 1.00 35.06 C ATOM 699 OE1 GLU A 95 0.819 11.942 16.824 1.00 38.04 O ATOM 700 OE2 GLU A 95 -1.359 11.776 17.041 1.00 37.29 O ATOM 0 H GLU A 95 1.375 13.794 21.038 1.00 25.46 H new ATOM 0 HA GLU A 95 2.327 15.410 19.128 1.00 25.20 H new ATOM 0 HB2 GLU A 95 0.450 15.011 17.707 1.00 25.69 H new ATOM 0 HB3 GLU A 95 1.537 13.892 17.704 1.00 25.69 H new ATOM 0 HG2 GLU A 95 -0.039 12.824 19.356 1.00 29.47 H new ATOM 0 HG3 GLU A 95 -1.083 13.703 18.601 1.00 29.47 H new ATOM 701 N ASP A 96 0.331 17.021 19.323 1.00 22.15 N ATOM 702 CA ASP A 96 -0.696 17.971 19.711 1.00 20.97 C ATOM 703 C ASP A 96 -2.063 17.330 19.625 1.00 19.78 C ATOM 704 O ASP A 96 -2.248 16.275 18.996 1.00 19.86 O ATOM 705 CB ASP A 96 -0.649 19.187 18.804 1.00 21.90 C ATOM 706 CG ASP A 96 0.564 20.070 19.070 1.00 24.67 C ATOM 707 OD1 ASP A 96 1.188 20.000 20.165 1.00 23.02 O ATOM 708 OD2 ASP A 96 0.961 20.877 18.209 1.00 28.42 O ATOM 0 H ASP A 96 0.754 17.223 18.602 1.00 22.15 H new ATOM 0 HA ASP A 96 -0.532 18.246 20.627 1.00 20.97 H new ATOM 0 HB2 ASP A 96 -0.636 18.896 17.879 1.00 21.90 H new ATOM 0 HB3 ASP A 96 -1.458 19.709 18.926 1.00 21.90 H new ATOM 709 N PHE A 97 -3.036 17.976 20.265 1.00 17.57 N ATOM 710 CA PHE A 97 -4.392 17.467 20.237 1.00 17.03 C ATOM 711 C PHE A 97 -5.427 18.527 19.953 1.00 16.18 C ATOM 712 O PHE A 97 -6.515 18.531 20.544 1.00 15.59 O ATOM 713 CB PHE A 97 -4.714 16.676 21.530 1.00 16.22 C ATOM 714 CG PHE A 97 -4.274 17.335 22.823 1.00 14.68 C ATOM 715 CD1 PHE A 97 -5.121 18.243 23.496 1.00 13.93 C ATOM 716 CD2 PHE A 97 -3.069 16.960 23.432 1.00 15.01 C ATOM 717 CE1 PHE A 97 -4.718 18.810 24.731 1.00 14.02 C ATOM 718 CE2 PHE A 97 -2.678 17.512 24.671 1.00 12.97 C ATOM 719 CZ PHE A 97 -3.526 18.430 25.322 1.00 13.75 C ATOM 0 H PHE A 97 -2.928 18.701 20.714 1.00 17.57 H new ATOM 0 HA PHE A 97 -4.439 16.854 19.487 1.00 17.03 H new ATOM 0 HB2 PHE A 97 -5.672 16.528 21.570 1.00 16.22 H new ATOM 0 HB3 PHE A 97 -4.294 15.804 21.470 1.00 16.22 H new ATOM 0 HD1 PHE A 97 -5.945 18.469 23.128 1.00 13.93 H new ATOM 0 HD2 PHE A 97 -2.519 16.338 23.014 1.00 15.01 H new ATOM 0 HE1 PHE A 97 -5.259 19.442 25.147 1.00 14.02 H new ATOM 0 HE2 PHE A 97 -1.866 17.271 25.055 1.00 12.97 H new ATOM 0 HZ PHE A 97 -3.284 18.780 26.149 1.00 13.75 H new ATOM 720 N TYR A 98 -5.102 19.429 19.024 1.00 16.27 N ATOM 721 CA TYR A 98 -6.051 20.459 18.624 1.00 16.17 C ATOM 722 C TYR A 98 -7.278 19.798 18.045 1.00 16.10 C ATOM 723 O TYR A 98 -7.150 18.837 17.247 1.00 16.93 O ATOM 724 CB TYR A 98 -5.408 21.368 17.587 1.00 16.25 C ATOM 725 CG TYR A 98 -4.445 22.328 18.219 1.00 14.44 C ATOM 726 CD1 TYR A 98 -4.906 23.403 18.987 1.00 13.84 C ATOM 727 CD2 TYR A 98 -3.085 22.148 18.100 1.00 16.02 C ATOM 728 CE1 TYR A 98 -3.993 24.283 19.606 1.00 11.84 C ATOM 729 CE2 TYR A 98 -2.146 23.030 18.715 1.00 15.15 C ATOM 730 CZ TYR A 98 -2.615 24.089 19.462 1.00 12.83 C ATOM 731 OH TYR A 98 -1.695 24.957 20.023 1.00 13.45 O ATOM 0 H TYR A 98 -4.344 19.459 18.619 1.00 16.27 H new ATOM 0 HA TYR A 98 -6.305 20.992 19.393 1.00 16.17 H new ATOM 0 HB2 TYR A 98 -4.944 20.830 16.927 1.00 16.25 H new ATOM 0 HB3 TYR A 98 -6.097 21.862 17.116 1.00 16.25 H new ATOM 0 HD1 TYR A 98 -5.820 23.538 19.090 1.00 13.84 H new ATOM 0 HD2 TYR A 98 -2.768 21.429 17.603 1.00 16.02 H new ATOM 0 HE1 TYR A 98 -4.309 24.996 20.113 1.00 11.84 H new ATOM 0 HE2 TYR A 98 -1.232 22.892 18.613 1.00 15.15 H new ATOM 0 HH TYR A 98 -2.009 25.279 20.732 1.00 13.45 H new ATOM 732 N GLY A 99 -8.443 20.318 18.425 1.00 15.69 N ATOM 733 CA GLY A 99 -9.736 19.813 17.950 1.00 16.61 C ATOM 734 C GLY A 99 -10.285 18.626 18.740 1.00 16.87 C ATOM 735 O GLY A 99 -11.458 18.292 18.594 1.00 17.63 O ATOM 0 H GLY A 99 -8.509 20.980 18.970 1.00 15.69 H new ATOM 0 HA2 GLY A 99 -10.383 20.535 17.982 1.00 16.61 H new ATOM 0 HA3 GLY A 99 -9.646 19.553 17.020 1.00 16.61 H new ATOM 736 N GLU A 100 -9.451 17.971 19.552 1.00 16.94 N ATOM 737 CA GLU A 100 -9.926 16.870 20.411 1.00 16.47 C ATOM 738 C GLU A 100 -10.687 17.463 21.580 1.00 15.43 C ATOM 739 O GLU A 100 -10.548 18.651 21.877 1.00 16.06 O ATOM 740 CB GLU A 100 -8.775 16.022 20.933 1.00 16.42 C ATOM 741 CG GLU A 100 -7.951 15.331 19.833 1.00 21.71 C ATOM 742 CD GLU A 100 -8.757 14.288 19.112 1.00 31.50 C ATOM 743 OE1 GLU A 100 -8.876 13.157 19.646 1.00 37.31 O ATOM 744 OE2 GLU A 100 -9.305 14.596 18.023 1.00 38.59 O ATOM 0 H GLU A 100 -8.612 18.144 19.623 1.00 16.94 H new ATOM 0 HA GLU A 100 -10.499 16.293 19.882 1.00 16.47 H new ATOM 0 HB2 GLU A 100 -8.185 16.584 21.460 1.00 16.42 H new ATOM 0 HB3 GLU A 100 -9.130 15.345 21.530 1.00 16.42 H new ATOM 0 HG2 GLU A 100 -7.636 15.994 19.199 1.00 21.71 H new ATOM 0 HG3 GLU A 100 -7.165 14.920 20.226 1.00 21.71 H new ATOM 745 N ILE A 101 -11.476 16.647 22.266 1.00 14.49 N ATOM 746 CA ILE A 101 -12.175 17.157 23.446 1.00 13.96 C ATOM 747 C ILE A 101 -11.328 16.980 24.703 1.00 14.24 C ATOM 748 O ILE A 101 -10.920 15.864 25.032 1.00 15.92 O ATOM 749 CB ILE A 101 -13.530 16.448 23.627 1.00 14.38 C ATOM 750 CG1 ILE A 101 -14.404 16.625 22.386 1.00 13.36 C ATOM 751 CG2 ILE A 101 -14.245 16.994 24.861 1.00 16.44 C ATOM 752 CD1 ILE A 101 -14.528 18.058 21.917 1.00 15.76 C ATOM 0 H ILE A 101 -11.620 15.821 22.077 1.00 14.49 H new ATOM 0 HA ILE A 101 -12.332 18.104 23.308 1.00 13.96 H new ATOM 0 HB ILE A 101 -13.367 15.500 23.750 1.00 14.38 H new ATOM 0 HG12 ILE A 101 -14.037 16.089 21.665 1.00 13.36 H new ATOM 0 HG13 ILE A 101 -15.290 16.279 22.574 1.00 13.36 H new ATOM 0 HG21 ILE A 101 -15.097 16.543 24.968 1.00 16.44 H new ATOM 0 HG22 ILE A 101 -13.697 16.841 25.647 1.00 16.44 H new ATOM 0 HG23 ILE A 101 -14.395 17.946 24.753 1.00 16.44 H new ATOM 0 HD11 ILE A 101 -15.094 18.093 21.130 1.00 15.76 H new ATOM 0 HD12 ILE A 101 -14.921 18.596 22.622 1.00 15.76 H new ATOM 0 HD13 ILE A 101 -13.649 18.404 21.698 1.00 15.76 H new ATOM 753 N LEU A 102 -11.104 18.077 25.408 1.00 13.78 N ATOM 754 CA LEU A 102 -10.416 18.017 26.685 1.00 13.92 C ATOM 755 C LEU A 102 -11.494 17.992 27.789 1.00 14.61 C ATOM 756 O LEU A 102 -12.392 18.857 27.836 1.00 14.99 O ATOM 757 CB LEU A 102 -9.506 19.247 26.784 1.00 13.99 C ATOM 758 CG LEU A 102 -8.963 19.653 28.156 1.00 15.11 C ATOM 759 CD1 LEU A 102 -8.028 18.566 28.579 1.00 15.54 C ATOM 760 CD2 LEU A 102 -8.237 20.980 28.106 1.00 19.02 C ATOM 0 H LEU A 102 -11.342 18.867 25.165 1.00 13.78 H new ATOM 0 HA LEU A 102 -9.863 17.226 26.780 1.00 13.92 H new ATOM 0 HB2 LEU A 102 -8.746 19.098 26.200 1.00 13.99 H new ATOM 0 HB3 LEU A 102 -9.995 20.004 26.426 1.00 13.99 H new ATOM 0 HG LEU A 102 -9.693 19.765 28.785 1.00 15.11 H new ATOM 0 HD11 LEU A 102 -7.656 18.779 29.449 1.00 15.54 H new ATOM 0 HD12 LEU A 102 -8.510 17.726 28.631 1.00 15.54 H new ATOM 0 HD13 LEU A 102 -7.310 18.486 27.931 1.00 15.54 H new ATOM 0 HD21 LEU A 102 -7.908 21.203 28.991 1.00 19.02 H new ATOM 0 HD22 LEU A 102 -7.490 20.917 27.490 1.00 19.02 H new ATOM 0 HD23 LEU A 102 -8.847 21.671 27.804 1.00 19.02 H new ATOM 761 N ASN A 103 -11.393 16.988 28.643 1.00 12.82 N ATOM 762 CA ASN A 103 -12.307 16.800 29.766 1.00 13.21 C ATOM 763 C ASN A 103 -11.611 17.219 31.053 1.00 12.61 C ATOM 764 O ASN A 103 -10.544 16.682 31.364 1.00 12.85 O ATOM 765 CB ASN A 103 -12.691 15.298 29.869 1.00 13.65 C ATOM 766 CG ASN A 103 -13.090 14.690 28.519 1.00 16.03 C ATOM 767 OD1 ASN A 103 -14.114 15.059 27.935 1.00 16.92 O ATOM 768 ND2 ASN A 103 -12.248 13.782 27.983 1.00 14.46 N ATOM 0 H ASN A 103 -10.783 16.384 28.589 1.00 12.82 H new ATOM 0 HA ASN A 103 -13.104 17.336 29.630 1.00 13.21 H new ATOM 0 HB2 ASN A 103 -11.941 14.802 30.233 1.00 13.65 H new ATOM 0 HB3 ASN A 103 -13.427 15.199 30.493 1.00 13.65 H new ATOM 0 HD21 ASN A 103 -12.417 13.441 27.212 1.00 14.46 H new ATOM 0 HD22 ASN A 103 -11.542 13.544 28.413 1.00 14.46 H new ATOM 769 N VAL A 104 -12.195 18.173 31.782 1.00 11.91 N ATOM 770 CA VAL A 104 -11.532 18.676 32.994 1.00 11.63 C ATOM 771 C VAL A 104 -12.415 18.627 34.205 1.00 11.97 C ATOM 772 O VAL A 104 -13.628 18.868 34.120 1.00 11.12 O ATOM 773 CB AVAL A 104 -10.966 20.103 32.784 0.50 12.71 C ATOM 774 CB BVAL A 104 -10.851 20.140 32.901 0.50 13.21 C ATOM 775 CG1AVAL A 104 -9.754 20.068 31.787 0.50 10.30 C ATOM 776 CG1BVAL A 104 -10.312 20.511 31.496 0.50 11.11 C ATOM 777 CG2AVAL A 104 -11.971 20.969 32.265 0.50 10.57 C ATOM 778 CG2BVAL A 104 -11.666 21.241 33.528 0.50 11.46 C ATOM 0 H VAL A 104 -12.954 18.535 31.601 1.00 11.91 H new ATOM 0 HA VAL A 104 -10.789 18.075 33.162 1.00 11.63 H new ATOM 0 HB AVAL A 104 -10.668 20.437 33.645 0.50 13.21 H new ATOM 0 HB BVAL A 104 -10.061 20.056 33.458 0.50 13.21 H new ATOM 0 HG11AVAL A 104 -9.410 20.966 31.664 0.50 11.11 H new ATOM 0 HG11BVAL A 104 -9.921 21.398 31.523 0.50 11.11 H new ATOM 0 HG12AVAL A 104 -9.055 19.500 32.147 0.50 11.11 H new ATOM 0 HG12BVAL A 104 -9.636 19.869 31.228 0.50 11.11 H new ATOM 0 HG13AVAL A 104 -10.048 19.716 30.932 0.50 11.11 H new ATOM 0 HG13BVAL A 104 -11.041 20.498 30.856 0.50 11.11 H new ATOM 0 HG21AVAL A 104 -11.600 21.857 32.140 0.50 11.46 H new ATOM 0 HG21BVAL A 104 -11.197 22.085 33.434 0.50 11.46 H new ATOM 0 HG22AVAL A 104 -12.285 20.627 31.413 0.50 11.46 H new ATOM 0 HG22BVAL A 104 -12.527 21.299 33.085 0.50 11.46 H new ATOM 0 HG23AVAL A 104 -12.713 21.014 32.888 0.50 11.46 H new ATOM 0 HG23BVAL A 104 -11.800 21.049 34.469 0.50 11.46 H new ATOM 779 N ALA A 105 -11.782 18.277 35.323 1.00 11.75 N ATOM 780 CA ALA A 105 -12.385 18.413 36.648 1.00 12.34 C ATOM 781 C ALA A 105 -11.498 19.357 37.449 1.00 13.52 C ATOM 782 O ALA A 105 -10.346 19.011 37.769 1.00 13.96 O ATOM 783 CB ALA A 105 -12.446 17.072 37.320 1.00 12.95 C ATOM 0 H ALA A 105 -10.986 17.952 35.334 1.00 11.75 H new ATOM 0 HA ALA A 105 -13.289 18.760 36.584 1.00 12.34 H new ATOM 0 HB1 ALA A 105 -12.847 17.168 38.198 1.00 12.95 H new ATOM 0 HB2 ALA A 105 -12.982 16.466 36.785 1.00 12.95 H new ATOM 0 HB3 ALA A 105 -11.549 16.715 37.412 1.00 12.95 H new ATOM 784 N ILE A 106 -12.024 20.533 37.757 1.00 12.57 N ATOM 785 CA ILE A 106 -11.265 21.523 38.533 1.00 13.97 C ATOM 786 C ILE A 106 -11.604 21.238 39.989 1.00 14.02 C ATOM 787 O ILE A 106 -12.773 21.338 40.378 1.00 13.90 O ATOM 788 CB ILE A 106 -11.702 22.947 38.181 1.00 14.44 C ATOM 789 CG1 ILE A 106 -11.579 23.227 36.659 1.00 16.27 C ATOM 790 CG2 ILE A 106 -10.899 24.002 39.054 1.00 16.49 C ATOM 791 CD1 ILE A 106 -11.891 24.659 36.306 1.00 17.61 C ATOM 0 H ILE A 106 -12.815 20.784 37.531 1.00 12.57 H new ATOM 0 HA ILE A 106 -10.315 21.459 38.349 1.00 13.97 H new ATOM 0 HB ILE A 106 -12.643 23.039 38.398 1.00 14.44 H new ATOM 0 HG12 ILE A 106 -10.679 23.014 36.366 1.00 16.27 H new ATOM 0 HG13 ILE A 106 -12.181 22.640 36.176 1.00 16.27 H new ATOM 0 HG21 ILE A 106 -11.185 24.899 38.821 1.00 16.49 H new ATOM 0 HG22 ILE A 106 -11.071 23.842 39.995 1.00 16.49 H new ATOM 0 HG23 ILE A 106 -9.949 23.911 38.880 1.00 16.49 H new ATOM 0 HD11 ILE A 106 -11.801 24.783 35.348 1.00 17.61 H new ATOM 0 HD12 ILE A 106 -12.799 24.868 36.575 1.00 17.61 H new ATOM 0 HD13 ILE A 106 -11.274 25.248 36.768 1.00 17.61 H new ATOM 792 N VAL A 107 -10.616 20.853 40.800 1.00 13.71 N ATOM 793 CA VAL A 107 -10.929 20.377 42.146 1.00 14.72 C ATOM 794 C VAL A 107 -10.505 21.261 43.316 1.00 14.88 C ATOM 795 O VAL A 107 -11.102 21.159 44.391 1.00 15.40 O ATOM 796 CB VAL A 107 -10.415 18.924 42.436 1.00 17.65 C ATOM 797 CG1 VAL A 107 -10.812 17.950 41.312 1.00 17.55 C ATOM 798 CG2 VAL A 107 -8.952 18.952 42.645 1.00 18.36 C ATOM 0 H VAL A 107 -9.780 20.859 40.597 1.00 13.71 H new ATOM 0 HA VAL A 107 -11.898 20.403 42.110 1.00 14.72 H new ATOM 0 HB VAL A 107 -10.838 18.597 43.245 1.00 17.65 H new ATOM 0 HG11 VAL A 107 -10.480 17.063 41.520 1.00 17.55 H new ATOM 0 HG12 VAL A 107 -11.778 17.923 41.233 1.00 17.55 H new ATOM 0 HG13 VAL A 107 -10.428 18.250 40.473 1.00 17.55 H new ATOM 0 HG21 VAL A 107 -8.633 18.054 42.824 1.00 18.36 H new ATOM 0 HG22 VAL A 107 -8.518 19.296 41.849 1.00 18.36 H new ATOM 0 HG23 VAL A 107 -8.744 19.525 43.399 1.00 18.36 H new ATOM 799 N GLY A 108 -9.495 22.120 43.126 1.00 13.59 N ATOM 800 CA GLY A 108 -9.007 22.949 44.218 1.00 14.31 C ATOM 801 C GLY A 108 -8.375 24.230 43.703 1.00 14.07 C ATOM 802 O GLY A 108 -8.029 24.352 42.513 1.00 14.53 O ATOM 0 H GLY A 108 -9.087 22.232 42.377 1.00 13.59 H new ATOM 0 HA2 GLY A 108 -9.741 23.166 44.814 1.00 14.31 H new ATOM 0 HA3 GLY A 108 -8.356 22.452 44.738 1.00 14.31 H new ATOM 803 N TYR A 109 -8.197 25.183 44.613 1.00 15.21 N ATOM 804 CA TYR A 109 -7.611 26.496 44.276 1.00 14.86 C ATOM 805 C TYR A 109 -6.255 26.585 44.932 1.00 15.21 C ATOM 806 O TYR A 109 -6.097 26.192 46.127 1.00 15.16 O ATOM 807 CB TYR A 109 -8.462 27.576 44.903 1.00 14.95 C ATOM 808 CG TYR A 109 -8.138 29.015 44.562 1.00 18.37 C ATOM 809 CD1 TYR A 109 -8.503 29.516 43.331 1.00 20.26 C ATOM 810 CD2 TYR A 109 -7.555 29.886 45.496 1.00 21.21 C ATOM 811 CE1 TYR A 109 -8.298 30.836 43.002 1.00 24.18 C ATOM 812 CE2 TYR A 109 -7.328 31.247 45.164 1.00 21.58 C ATOM 813 CZ TYR A 109 -7.718 31.686 43.902 1.00 22.22 C ATOM 814 OH TYR A 109 -7.567 32.997 43.500 1.00 27.92 O ATOM 0 H TYR A 109 -8.409 25.095 45.442 1.00 15.21 H new ATOM 0 HA TYR A 109 -7.556 26.599 43.313 1.00 14.86 H new ATOM 0 HB2 TYR A 109 -9.385 27.411 44.654 1.00 14.95 H new ATOM 0 HB3 TYR A 109 -8.406 27.478 45.866 1.00 14.95 H new ATOM 0 HD1 TYR A 109 -8.897 28.949 42.708 1.00 20.26 H new ATOM 0 HD2 TYR A 109 -7.316 29.569 46.337 1.00 21.21 H new ATOM 0 HE1 TYR A 109 -8.555 31.151 42.165 1.00 24.18 H new ATOM 0 HE2 TYR A 109 -6.931 31.828 45.772 1.00 21.58 H new ATOM 0 HH TYR A 109 -7.937 33.106 42.754 1.00 27.92 H new ATOM 815 N LEU A 110 -5.283 27.097 44.188 1.00 14.56 N ATOM 816 CA LEU A 110 -3.922 27.324 44.730 1.00 14.24 C ATOM 817 C LEU A 110 -3.672 28.724 45.243 1.00 14.84 C ATOM 818 O LEU A 110 -3.221 28.920 46.365 1.00 15.22 O ATOM 819 CB LEU A 110 -2.849 26.998 43.670 1.00 16.45 C ATOM 820 CG LEU A 110 -2.587 25.544 43.330 1.00 15.60 C ATOM 821 CD1 LEU A 110 -1.473 25.391 42.284 1.00 17.75 C ATOM 822 CD2 LEU A 110 -2.232 24.768 44.633 1.00 18.57 C ATOM 0 H LEU A 110 -5.379 27.324 43.364 1.00 14.56 H new ATOM 0 HA LEU A 110 -3.861 26.725 45.491 1.00 14.24 H new ATOM 0 HB2 LEU A 110 -3.097 27.453 42.850 1.00 16.45 H new ATOM 0 HB3 LEU A 110 -2.012 27.387 43.968 1.00 16.45 H new ATOM 0 HG LEU A 110 -3.392 25.171 42.938 1.00 15.60 H new ATOM 0 HD11 LEU A 110 -1.335 24.450 42.093 1.00 17.75 H new ATOM 0 HD12 LEU A 110 -1.728 25.852 41.469 1.00 17.75 H new ATOM 0 HD13 LEU A 110 -0.651 25.775 42.628 1.00 17.75 H new ATOM 0 HD21 LEU A 110 -2.064 23.837 44.420 1.00 18.57 H new ATOM 0 HD22 LEU A 110 -1.439 25.156 45.035 1.00 18.57 H new ATOM 0 HD23 LEU A 110 -2.972 24.827 45.257 1.00 18.57 H new ATOM 823 N ARG A 111 -3.925 29.704 44.402 1.00 13.05 N ATOM 824 CA ARG A 111 -3.585 31.085 44.675 1.00 13.28 C ATOM 825 C ARG A 111 -4.200 32.015 43.663 1.00 13.44 C ATOM 826 O ARG A 111 -4.535 31.590 42.525 1.00 13.23 O ATOM 827 CB ARG A 111 -2.047 31.254 44.588 1.00 12.64 C ATOM 828 CG ARG A 111 -1.460 30.884 43.193 1.00 12.65 C ATOM 829 CD ARG A 111 0.048 31.161 43.138 1.00 12.81 C ATOM 830 NE ARG A 111 0.661 30.899 41.818 1.00 11.86 N ATOM 831 CZ ARG A 111 0.650 31.757 40.805 1.00 12.68 C ATOM 832 NH1 ARG A 111 0.030 32.928 40.898 1.00 14.61 N ATOM 833 NH2 ARG A 111 1.277 31.439 39.675 1.00 12.75 N ATOM 0 H ARG A 111 -4.307 29.585 43.641 1.00 13.05 H new ATOM 0 HA ARG A 111 -3.921 31.304 45.558 1.00 13.28 H new ATOM 0 HB2 ARG A 111 -1.818 32.174 44.794 1.00 12.64 H new ATOM 0 HB3 ARG A 111 -1.629 30.699 45.265 1.00 12.64 H new ATOM 0 HG2 ARG A 111 -1.627 29.947 43.007 1.00 12.65 H new ATOM 0 HG3 ARG A 111 -1.911 31.395 42.503 1.00 12.65 H new ATOM 0 HD2 ARG A 111 0.206 32.087 43.379 1.00 12.81 H new ATOM 0 HD3 ARG A 111 0.492 30.614 43.805 1.00 12.81 H new ATOM 0 HE ARG A 111 1.050 30.141 41.699 1.00 11.86 H new ATOM 0 HH11 ARG A 111 -0.375 33.143 41.625 1.00 14.61 H new ATOM 0 HH12 ARG A 111 0.034 33.471 40.231 1.00 14.61 H new ATOM 0 HH21 ARG A 111 1.684 30.684 39.607 1.00 12.75 H new ATOM 0 HH22 ARG A 111 1.275 31.988 39.013 1.00 12.75 H new ATOM 834 N PRO A 112 -4.271 33.302 44.025 1.00 14.16 N ATOM 835 CA PRO A 112 -4.644 34.326 43.056 1.00 14.20 C ATOM 836 C PRO A 112 -3.575 34.476 41.995 1.00 14.84 C ATOM 837 O PRO A 112 -2.414 34.062 42.167 1.00 14.32 O ATOM 838 CB PRO A 112 -4.742 35.613 43.898 1.00 15.67 C ATOM 839 CG PRO A 112 -3.945 35.382 45.093 1.00 16.56 C ATOM 840 CD PRO A 112 -3.987 33.880 45.365 1.00 14.72 C ATOM 0 HA PRO A 112 -5.467 34.113 42.589 1.00 14.20 H new ATOM 0 HB2 PRO A 112 -4.408 36.377 43.402 1.00 15.67 H new ATOM 0 HB3 PRO A 112 -5.664 35.806 44.129 1.00 15.67 H new ATOM 0 HG2 PRO A 112 -3.032 35.683 44.962 1.00 16.56 H new ATOM 0 HG3 PRO A 112 -4.302 35.878 45.846 1.00 16.56 H new ATOM 0 HD2 PRO A 112 -3.146 33.557 45.724 1.00 14.72 H new ATOM 0 HD3 PRO A 112 -4.676 33.651 46.008 1.00 14.72 H new ATOM 841 N GLU A 113 -3.967 35.105 40.893 1.00 15.50 N ATOM 842 CA GLU A 113 -2.983 35.568 39.935 1.00 16.85 C ATOM 843 C GLU A 113 -2.069 36.581 40.603 1.00 17.06 C ATOM 844 O GLU A 113 -2.472 37.265 41.558 1.00 16.20 O ATOM 845 CB GLU A 113 -3.687 36.304 38.809 1.00 18.01 C ATOM 846 CG GLU A 113 -4.577 35.403 37.983 1.00 22.28 C ATOM 847 CD GLU A 113 -4.911 36.083 36.675 1.00 27.99 C ATOM 848 OE1 GLU A 113 -5.782 37.000 36.704 1.00 30.92 O ATOM 849 OE2 GLU A 113 -4.265 35.729 35.652 1.00 29.43 O ATOM 0 H GLU A 113 -4.785 35.270 40.686 1.00 15.50 H new ATOM 0 HA GLU A 113 -2.486 34.803 39.605 1.00 16.85 H new ATOM 0 HB2 GLU A 113 -4.220 37.023 39.182 1.00 18.01 H new ATOM 0 HB3 GLU A 113 -3.024 36.713 38.232 1.00 18.01 H new ATOM 0 HG2 GLU A 113 -4.131 34.558 37.814 1.00 22.28 H new ATOM 0 HG3 GLU A 113 -5.391 35.202 38.471 1.00 22.28 H new ATOM 850 N LYS A 114 -0.838 36.663 40.102 1.00 17.58 N ATOM 851 CA LYS A 114 0.185 37.555 40.671 1.00 18.01 C ATOM 852 C LYS A 114 0.914 38.270 39.559 1.00 18.68 C ATOM 853 O LYS A 114 0.960 37.790 38.416 1.00 17.33 O ATOM 854 CB LYS A 114 1.185 36.763 41.569 1.00 18.21 C ATOM 855 CG LYS A 114 0.496 36.110 42.803 1.00 20.85 C ATOM 856 CD ALYS A 114 1.425 35.351 43.800 0.50 21.33 C ATOM 857 CD BLYS A 114 1.274 34.881 43.325 0.50 21.29 C ATOM 858 CE ALYS A 114 0.576 34.737 44.946 0.50 20.58 C ATOM 859 CE BLYS A 114 2.456 35.302 44.175 0.50 21.03 C ATOM 860 NZ ALYS A 114 1.265 33.693 45.780 0.50 19.55 N ATOM 861 NZ BLYS A 114 3.528 34.240 44.298 0.50 19.09 N ATOM 0 H LYS A 114 -0.568 36.207 39.425 1.00 17.58 H new ATOM 0 HA LYS A 114 -0.255 38.212 41.233 1.00 18.01 H new ATOM 0 HB2 LYS A 114 1.613 36.072 41.039 1.00 18.21 H new ATOM 0 HB3 LYS A 114 1.885 37.362 41.873 1.00 18.21 H new ATOM 0 HG2ALYS A 114 0.029 36.805 43.293 0.50 20.85 H new ATOM 0 HG2BLYS A 114 0.418 36.767 43.513 0.50 20.85 H new ATOM 0 HG3ALYS A 114 -0.176 35.489 42.482 0.50 20.85 H new ATOM 0 HG3BLYS A 114 -0.405 35.842 42.564 0.50 20.85 H new ATOM 0 HD2ALYS A 114 1.910 34.651 43.335 0.50 21.29 H new ATOM 0 HD2BLYS A 114 0.681 34.317 43.847 0.50 21.29 H new ATOM 0 HD3ALYS A 114 2.086 35.959 44.166 0.50 21.29 H new ATOM 0 HD3BLYS A 114 1.584 34.349 42.576 0.50 21.29 H new ATOM 0 HE2ALYS A 114 0.285 35.454 45.531 0.50 21.03 H new ATOM 0 HE2BLYS A 114 2.848 36.103 43.795 0.50 21.03 H new ATOM 0 HE3ALYS A 114 -0.222 34.344 44.560 0.50 21.03 H new ATOM 0 HE3BLYS A 114 2.140 35.535 45.062 0.50 21.03 H new ATOM 0 HZ1ALYS A 114 0.746 33.472 46.468 0.50 19.09 H new ATOM 0 HZ1BLYS A 114 3.717 34.107 45.157 0.50 19.09 H new ATOM 0 HZ2ALYS A 114 1.421 32.971 45.283 0.50 19.09 H new ATOM 0 HZ2BLYS A 114 3.236 33.480 43.938 0.50 19.09 H new ATOM 0 HZ3ALYS A 114 2.037 34.017 46.083 0.50 19.09 H new ATOM 0 HZ3BLYS A 114 4.262 34.508 43.871 0.50 19.09 H new ATOM 862 N ASN A 115 1.475 39.431 39.884 1.00 18.94 N ATOM 863 CA ASN A 115 2.278 40.178 38.925 1.00 21.16 C ATOM 864 C ASN A 115 3.715 39.762 39.120 1.00 21.18 C ATOM 865 O ASN A 115 4.218 39.759 40.255 1.00 22.15 O ATOM 866 CB ASN A 115 2.171 41.699 39.171 1.00 21.44 C ATOM 867 CG ASN A 115 0.795 42.228 38.885 1.00 26.21 C ATOM 868 OD1 ASN A 115 0.140 41.801 37.931 1.00 31.48 O ATOM 869 ND2 ASN A 115 0.319 43.134 39.739 1.00 28.23 N ATOM 0 H ASN A 115 1.402 39.803 40.656 1.00 18.94 H new ATOM 0 HA ASN A 115 1.963 39.992 38.027 1.00 21.16 H new ATOM 0 HB2 ASN A 115 2.404 41.893 40.092 1.00 21.44 H new ATOM 0 HB3 ASN A 115 2.815 42.161 38.612 1.00 21.44 H new ATOM 0 HD21 ASN A 115 -0.476 43.445 39.637 1.00 28.23 H new ATOM 0 HD22 ASN A 115 0.807 43.407 40.392 1.00 28.23 H new ATOM 870 N PHE A 116 4.397 39.416 38.037 1.00 21.09 N ATOM 871 CA PHE A 116 5.797 39.043 38.175 1.00 21.76 C ATOM 872 C PHE A 116 6.674 40.060 37.451 1.00 23.31 C ATOM 873 O PHE A 116 6.270 40.600 36.424 1.00 24.15 O ATOM 874 CB PHE A 116 6.005 37.604 37.658 1.00 21.11 C ATOM 875 CG PHE A 116 5.304 36.557 38.491 1.00 18.79 C ATOM 876 CD1 PHE A 116 5.871 36.092 39.661 1.00 18.30 C ATOM 877 CD2 PHE A 116 4.094 36.020 38.080 1.00 17.49 C ATOM 878 CE1 PHE A 116 5.210 35.119 40.430 1.00 17.97 C ATOM 879 CE2 PHE A 116 3.453 35.046 38.815 1.00 17.95 C ATOM 880 CZ PHE A 116 4.022 34.593 40.013 1.00 18.35 C ATOM 0 H PHE A 116 4.081 39.390 37.237 1.00 21.09 H new ATOM 0 HA PHE A 116 6.058 39.053 39.109 1.00 21.76 H new ATOM 0 HB2 PHE A 116 5.685 37.547 36.744 1.00 21.11 H new ATOM 0 HB3 PHE A 116 6.955 37.409 37.639 1.00 21.11 H new ATOM 0 HD1 PHE A 116 6.693 36.424 39.941 1.00 18.30 H new ATOM 0 HD2 PHE A 116 3.706 36.324 37.291 1.00 17.49 H new ATOM 0 HE1 PHE A 116 5.586 34.831 41.230 1.00 17.97 H new ATOM 0 HE2 PHE A 116 2.647 34.691 38.517 1.00 17.95 H new ATOM 0 HZ PHE A 116 3.594 33.940 40.519 1.00 18.35 H new ATOM 881 N ASP A 117 7.858 40.328 37.986 1.00 25.11 N ATOM 882 CA ASP A 117 8.762 41.315 37.357 1.00 26.25 C ATOM 883 C ASP A 117 9.650 40.756 36.242 1.00 25.09 C ATOM 884 O ASP A 117 10.343 41.522 35.546 1.00 25.09 O ATOM 885 CB ASP A 117 9.652 42.015 38.385 1.00 27.64 C ATOM 886 CG ASP A 117 10.187 41.065 39.445 1.00 31.85 C ATOM 887 OD1 ASP A 117 10.878 40.069 39.083 1.00 36.39 O ATOM 888 OD2 ASP A 117 9.956 41.231 40.674 1.00 36.71 O ATOM 0 H ASP A 117 8.163 39.962 38.702 1.00 25.11 H new ATOM 0 HA ASP A 117 8.153 41.950 36.949 1.00 26.25 H new ATOM 0 HB2 ASP A 117 10.397 42.436 37.928 1.00 27.64 H new ATOM 0 HB3 ASP A 117 9.147 42.722 38.816 1.00 27.64 H new ATOM 889 N SER A 118 9.657 39.437 36.077 1.00 22.29 N ATOM 890 CA SER A 118 10.504 38.815 35.077 1.00 20.25 C ATOM 891 C SER A 118 9.945 37.491 34.649 1.00 19.29 C ATOM 892 O SER A 118 9.180 36.853 35.379 1.00 18.16 O ATOM 893 CB SER A 118 11.923 38.583 35.621 1.00 20.41 C ATOM 894 OG SER A 118 11.923 37.648 36.698 1.00 17.62 O ATOM 0 H SER A 118 9.178 38.889 36.535 1.00 22.29 H new ATOM 0 HA SER A 118 10.538 39.420 34.319 1.00 20.25 H new ATOM 0 HB2 SER A 118 12.495 38.258 34.908 1.00 20.41 H new ATOM 0 HB3 SER A 118 12.297 39.426 35.922 1.00 20.41 H new ATOM 0 HG SER A 118 11.174 37.658 37.078 1.00 17.62 H new ATOM 895 N LEU A 119 10.377 37.052 33.476 1.00 18.11 N ATOM 896 CA LEU A 119 10.047 35.715 33.048 1.00 17.34 C ATOM 897 C LEU A 119 10.625 34.652 34.005 1.00 15.30 C ATOM 898 O LEU A 119 10.001 33.613 34.240 1.00 14.43 O ATOM 899 CB LEU A 119 10.576 35.491 31.642 1.00 19.05 C ATOM 900 CG LEU A 119 9.457 35.554 30.593 1.00 23.78 C ATOM 901 CD1 LEU A 119 10.068 35.385 29.189 1.00 28.21 C ATOM 902 CD2 LEU A 119 8.359 34.537 30.832 1.00 25.46 C ATOM 0 H LEU A 119 10.854 37.508 32.925 1.00 18.11 H new ATOM 0 HA LEU A 119 9.081 35.623 33.057 1.00 17.34 H new ATOM 0 HB2 LEU A 119 11.247 36.161 31.439 1.00 19.05 H new ATOM 0 HB3 LEU A 119 11.014 34.627 31.595 1.00 19.05 H new ATOM 0 HG LEU A 119 9.033 36.423 30.667 1.00 23.78 H new ATOM 0 HD11 LEU A 119 9.364 35.424 28.523 1.00 28.21 H new ATOM 0 HD12 LEU A 119 10.707 36.097 29.026 1.00 28.21 H new ATOM 0 HD13 LEU A 119 10.518 34.528 29.133 1.00 28.21 H new ATOM 0 HD21 LEU A 119 7.683 34.623 30.142 1.00 25.46 H new ATOM 0 HD22 LEU A 119 8.735 33.643 30.807 1.00 25.46 H new ATOM 0 HD23 LEU A 119 7.956 34.694 31.700 1.00 25.46 H new ATOM 903 N GLU A 120 11.796 34.922 34.551 1.00 13.88 N ATOM 904 CA GLU A 120 12.422 33.988 35.489 1.00 13.62 C ATOM 905 C GLU A 120 11.496 33.724 36.698 1.00 13.78 C ATOM 906 O GLU A 120 11.261 32.568 37.086 1.00 13.70 O ATOM 907 CB GLU A 120 13.782 34.529 35.902 1.00 14.97 C ATOM 908 CG GLU A 120 14.503 33.631 36.880 1.00 18.14 C ATOM 909 CD GLU A 120 15.833 34.179 37.313 1.00 19.74 C ATOM 910 OE1 GLU A 120 16.467 34.935 36.551 1.00 20.88 O ATOM 911 OE2 GLU A 120 16.254 33.856 38.454 1.00 23.93 O ATOM 0 H GLU A 120 12.250 35.636 34.397 1.00 13.88 H new ATOM 0 HA GLU A 120 12.560 33.130 35.058 1.00 13.62 H new ATOM 0 HB2 GLU A 120 14.332 34.645 35.111 1.00 14.97 H new ATOM 0 HB3 GLU A 120 13.668 35.406 36.300 1.00 14.97 H new ATOM 0 HG2 GLU A 120 13.944 33.498 37.662 1.00 18.14 H new ATOM 0 HG3 GLU A 120 14.635 32.760 36.474 1.00 18.14 H new ATOM 912 N SER A 121 10.942 34.792 37.271 1.00 12.94 N ATOM 913 CA SER A 121 10.026 34.600 38.410 1.00 12.57 C ATOM 914 C SER A 121 8.733 33.958 38.003 1.00 12.47 C ATOM 915 O SER A 121 8.198 33.098 38.735 1.00 11.99 O ATOM 916 CB ASER A 121 9.780 35.923 39.162 0.50 12.97 C ATOM 917 CB BSER A 121 9.735 35.954 39.093 0.50 12.54 C ATOM 918 OG ASER A 121 9.357 36.928 38.273 0.50 15.63 O ATOM 919 OG BSER A 121 10.916 36.529 39.615 0.50 11.87 O ATOM 0 H SER A 121 11.072 35.608 37.032 1.00 12.94 H new ATOM 0 HA SER A 121 10.465 33.986 39.019 1.00 12.57 H new ATOM 0 HB2ASER A 121 9.109 35.790 39.850 0.50 12.54 H new ATOM 0 HB2BSER A 121 9.332 36.562 38.453 0.50 12.54 H new ATOM 0 HB3ASER A 121 10.594 36.202 39.610 0.50 12.54 H new ATOM 0 HB3BSER A 121 9.091 35.827 39.807 0.50 12.54 H new ATOM 0 HG ASER A 121 9.274 36.604 37.503 0.50 11.87 H new ATOM 0 HG BSER A 121 10.733 37.263 39.979 0.50 11.87 H new ATOM 920 N LEU A 122 8.211 34.323 36.827 1.00 11.63 N ATOM 921 CA LEU A 122 6.963 33.722 36.358 1.00 12.61 C ATOM 922 C LEU A 122 7.134 32.213 36.129 1.00 12.79 C ATOM 923 O LEU A 122 6.327 31.409 36.574 1.00 12.53 O ATOM 924 CB LEU A 122 6.494 34.403 35.060 1.00 12.90 C ATOM 925 CG LEU A 122 5.324 33.700 34.340 1.00 14.85 C ATOM 926 CD1 LEU A 122 4.022 33.695 35.190 1.00 17.43 C ATOM 927 CD2 LEU A 122 5.082 34.424 33.034 1.00 18.71 C ATOM 0 H LEU A 122 8.557 34.905 36.297 1.00 11.63 H new ATOM 0 HA LEU A 122 6.290 33.854 37.044 1.00 12.61 H new ATOM 0 HB2 LEU A 122 6.229 35.313 35.266 1.00 12.90 H new ATOM 0 HB3 LEU A 122 7.246 34.457 34.449 1.00 12.90 H new ATOM 0 HG LEU A 122 5.562 32.772 34.191 1.00 14.85 H new ATOM 0 HD11 LEU A 122 3.317 33.245 34.699 1.00 17.43 H new ATOM 0 HD12 LEU A 122 4.183 33.229 36.025 1.00 17.43 H new ATOM 0 HD13 LEU A 122 3.753 34.608 35.376 1.00 17.43 H new ATOM 0 HD21 LEU A 122 4.349 34.001 32.560 1.00 18.71 H new ATOM 0 HD22 LEU A 122 4.858 35.350 33.214 1.00 18.71 H new ATOM 0 HD23 LEU A 122 5.884 34.386 32.489 1.00 18.71 H new ATOM 928 N ILE A 123 8.216 31.835 35.455 1.00 12.48 N ATOM 929 CA ILE A 123 8.395 30.425 35.129 1.00 12.65 C ATOM 930 C ILE A 123 8.599 29.633 36.419 1.00 11.84 C ATOM 931 O ILE A 123 8.020 28.532 36.598 1.00 13.55 O ATOM 932 CB ILE A 123 9.597 30.244 34.142 1.00 13.75 C ATOM 933 CG1 ILE A 123 9.228 30.797 32.758 1.00 14.64 C ATOM 934 CG2 ILE A 123 9.941 28.741 34.014 1.00 14.91 C ATOM 935 CD1 ILE A 123 10.452 30.944 31.838 1.00 15.20 C ATOM 0 H ILE A 123 8.840 32.361 35.184 1.00 12.48 H new ATOM 0 HA ILE A 123 7.603 30.086 34.683 1.00 12.65 H new ATOM 0 HB ILE A 123 10.364 30.728 34.487 1.00 13.75 H new ATOM 0 HG12 ILE A 123 8.581 30.208 32.339 1.00 14.64 H new ATOM 0 HG13 ILE A 123 8.799 31.661 32.862 1.00 14.64 H new ATOM 0 HG21 ILE A 123 10.686 28.630 33.402 1.00 14.91 H new ATOM 0 HG22 ILE A 123 10.183 28.389 34.885 1.00 14.91 H new ATOM 0 HG23 ILE A 123 9.170 28.260 33.674 1.00 14.91 H new ATOM 0 HD11 ILE A 123 10.171 31.295 30.979 1.00 15.20 H new ATOM 0 HD12 ILE A 123 11.090 31.553 32.242 1.00 15.20 H new ATOM 0 HD13 ILE A 123 10.868 30.077 31.712 1.00 15.20 H new ATOM 936 N SER A 124 9.379 30.179 37.357 1.00 12.58 N ATOM 937 CA SER A 124 9.608 29.481 38.620 1.00 11.69 C ATOM 938 C SER A 124 8.266 29.302 39.368 1.00 12.78 C ATOM 939 O SER A 124 7.994 28.256 39.965 1.00 12.74 O ATOM 940 CB SER A 124 10.591 30.272 39.477 1.00 13.83 C ATOM 941 OG SER A 124 10.662 29.666 40.745 1.00 15.12 O ATOM 0 H SER A 124 9.777 30.938 37.282 1.00 12.58 H new ATOM 0 HA SER A 124 9.986 28.606 38.440 1.00 11.69 H new ATOM 0 HB2 SER A 124 11.467 30.286 39.060 1.00 13.83 H new ATOM 0 HB3 SER A 124 10.301 31.194 39.559 1.00 13.83 H new ATOM 0 HG SER A 124 11.040 28.919 40.678 1.00 15.12 H new ATOM 942 N ALA A 125 7.438 30.328 39.305 1.00 12.19 N ATOM 943 CA ALA A 125 6.127 30.256 39.949 1.00 13.07 C ATOM 944 C ALA A 125 5.237 29.203 39.350 1.00 14.10 C ATOM 945 O ALA A 125 4.616 28.422 40.088 1.00 15.29 O ATOM 946 CB ALA A 125 5.443 31.614 39.992 1.00 12.19 C ATOM 0 H ALA A 125 7.606 31.069 38.902 1.00 12.19 H new ATOM 0 HA ALA A 125 6.291 29.983 40.865 1.00 13.07 H new ATOM 0 HB1 ALA A 125 4.579 31.528 40.425 1.00 12.19 H new ATOM 0 HB2 ALA A 125 5.993 32.238 40.491 1.00 12.19 H new ATOM 0 HB3 ALA A 125 5.320 31.943 39.088 1.00 12.19 H new ATOM 947 N ILE A 126 5.205 29.131 38.018 1.00 13.27 N ATOM 948 CA ILE A 126 4.375 28.153 37.345 1.00 14.17 C ATOM 949 C ILE A 126 4.866 26.746 37.689 1.00 13.98 C ATOM 950 O ILE A 126 4.044 25.864 38.005 1.00 14.09 O ATOM 951 CB ILE A 126 4.363 28.387 35.824 1.00 13.47 C ATOM 952 CG1 ILE A 126 3.676 29.705 35.487 1.00 13.82 C ATOM 953 CG2 ILE A 126 3.590 27.176 35.119 1.00 15.95 C ATOM 954 CD1 ILE A 126 3.839 30.109 34.004 1.00 15.52 C ATOM 0 H ILE A 126 5.658 29.641 37.494 1.00 13.27 H new ATOM 0 HA ILE A 126 3.460 28.249 37.653 1.00 14.17 H new ATOM 0 HB ILE A 126 5.277 28.430 35.502 1.00 13.47 H new ATOM 0 HG12 ILE A 126 2.731 29.634 35.696 1.00 13.82 H new ATOM 0 HG13 ILE A 126 4.039 30.406 36.050 1.00 13.82 H new ATOM 0 HG21 ILE A 126 3.577 27.315 34.159 1.00 15.95 H new ATOM 0 HG22 ILE A 126 4.044 26.342 35.319 1.00 15.95 H new ATOM 0 HG23 ILE A 126 2.680 27.136 35.451 1.00 15.95 H new ATOM 0 HD11 ILE A 126 3.384 30.951 33.846 1.00 15.52 H new ATOM 0 HD12 ILE A 126 4.782 30.207 33.797 1.00 15.52 H new ATOM 0 HD13 ILE A 126 3.453 29.423 33.437 1.00 15.52 H new ATOM 955 N GLN A 127 6.184 26.547 37.673 1.00 15.53 N ATOM 956 CA GLN A 127 6.743 25.222 38.007 1.00 16.09 C ATOM 957 C GLN A 127 6.389 24.864 39.450 1.00 15.45 C ATOM 958 O GLN A 127 6.057 23.715 39.769 1.00 14.65 O ATOM 959 CB GLN A 127 8.260 25.223 37.798 1.00 16.11 C ATOM 960 CG GLN A 127 8.643 25.256 36.304 1.00 21.63 C ATOM 961 CD GLN A 127 10.128 25.441 36.101 1.00 29.41 C ATOM 962 OE1 GLN A 127 10.855 25.707 37.066 1.00 33.88 O ATOM 963 NE2 GLN A 127 10.591 25.336 34.848 1.00 32.89 N ATOM 0 H GLN A 127 6.766 27.148 37.477 1.00 15.53 H new ATOM 0 HA GLN A 127 6.359 24.552 37.420 1.00 16.09 H new ATOM 0 HB2 GLN A 127 8.646 25.992 38.246 1.00 16.11 H new ATOM 0 HB3 GLN A 127 8.642 24.433 38.211 1.00 16.11 H new ATOM 0 HG2 GLN A 127 8.361 24.430 35.881 1.00 21.63 H new ATOM 0 HG3 GLN A 127 8.166 25.977 35.865 1.00 21.63 H new ATOM 0 HE21 GLN A 127 10.052 25.149 34.205 1.00 32.89 H new ATOM 0 HE22 GLN A 127 11.427 25.455 34.687 1.00 32.89 H new ATOM 964 N GLY A 128 6.438 25.853 40.341 1.00 15.10 N ATOM 965 CA GLY A 128 6.038 25.615 41.720 1.00 14.23 C ATOM 966 C GLY A 128 4.556 25.227 41.911 1.00 14.09 C ATOM 967 O GLY A 128 4.210 24.389 42.778 1.00 13.84 O ATOM 0 H GLY A 128 6.696 26.655 40.169 1.00 15.10 H new ATOM 0 HA2 GLY A 128 6.593 24.909 42.086 1.00 14.23 H new ATOM 0 HA3 GLY A 128 6.218 26.415 42.238 1.00 14.23 H new ATOM 968 N ASP A 129 3.689 25.876 41.134 1.00 14.14 N ATOM 969 CA ASP A 129 2.253 25.552 41.104 1.00 13.40 C ATOM 970 C ASP A 129 2.094 24.097 40.678 1.00 13.77 C ATOM 971 O ASP A 129 1.309 23.362 41.254 1.00 15.13 O ATOM 972 CB ASP A 129 1.549 26.394 40.052 1.00 12.99 C ATOM 973 CG ASP A 129 1.423 27.869 40.433 1.00 14.79 C ATOM 974 OD1 ASP A 129 1.475 28.214 41.628 1.00 15.01 O ATOM 975 OD2 ASP A 129 1.233 28.733 39.531 1.00 15.96 O ATOM 0 H ASP A 129 3.913 26.518 40.607 1.00 14.14 H new ATOM 0 HA ASP A 129 1.876 25.719 41.982 1.00 13.40 H new ATOM 0 HB2 ASP A 129 2.034 26.324 39.215 1.00 12.99 H new ATOM 0 HB3 ASP A 129 0.663 26.031 39.898 1.00 12.99 H new ATOM 976 N ILE A 130 2.802 23.716 39.613 1.00 14.06 N ATOM 977 CA ILE A 130 2.704 22.338 39.104 1.00 13.30 C ATOM 978 C ILE A 130 3.137 21.317 40.188 1.00 13.60 C ATOM 979 O ILE A 130 2.432 20.321 40.455 1.00 13.82 O ATOM 980 CB ILE A 130 3.536 22.196 37.837 1.00 13.82 C ATOM 981 CG1 ILE A 130 2.834 22.872 36.666 1.00 14.06 C ATOM 982 CG2 ILE A 130 3.816 20.660 37.526 1.00 13.92 C ATOM 983 CD1 ILE A 130 3.769 23.196 35.436 1.00 16.35 C ATOM 0 H ILE A 130 3.337 24.227 39.175 1.00 14.06 H new ATOM 0 HA ILE A 130 1.779 22.147 38.884 1.00 13.30 H new ATOM 0 HB ILE A 130 4.390 22.635 37.972 1.00 13.82 H new ATOM 0 HG12 ILE A 130 2.110 22.301 36.365 1.00 14.06 H new ATOM 0 HG13 ILE A 130 2.433 23.698 36.978 1.00 14.06 H new ATOM 0 HG21 ILE A 130 4.346 20.585 36.717 1.00 13.92 H new ATOM 0 HG22 ILE A 130 4.299 20.262 38.267 1.00 13.92 H new ATOM 0 HG23 ILE A 130 2.973 20.196 37.404 1.00 13.92 H new ATOM 0 HD11 ILE A 130 3.249 23.623 34.737 1.00 16.35 H new ATOM 0 HD12 ILE A 130 4.481 23.792 35.718 1.00 16.35 H new ATOM 0 HD13 ILE A 130 4.153 22.373 35.096 1.00 16.35 H new ATOM 984 N GLU A 131 4.258 21.583 40.856 1.00 12.94 N ATOM 985 CA GLU A 131 4.712 20.687 41.919 1.00 13.43 C ATOM 986 C GLU A 131 3.723 20.600 43.088 1.00 13.26 C ATOM 987 O GLU A 131 3.473 19.529 43.584 1.00 14.35 O ATOM 988 CB GLU A 131 6.117 21.078 42.379 1.00 15.13 C ATOM 989 CG GLU A 131 7.174 20.798 41.286 1.00 19.31 C ATOM 990 CD GLU A 131 7.080 19.368 40.677 1.00 23.98 C ATOM 991 OE1 GLU A 131 7.085 18.381 41.434 1.00 26.44 O ATOM 992 OE2 GLU A 131 6.940 19.215 39.438 1.00 23.65 O ATOM 0 H GLU A 131 4.763 22.265 40.713 1.00 12.94 H new ATOM 0 HA GLU A 131 4.752 19.792 41.548 1.00 13.43 H new ATOM 0 HB2 GLU A 131 6.132 22.020 42.610 1.00 15.13 H new ATOM 0 HB3 GLU A 131 6.344 20.585 43.183 1.00 15.13 H new ATOM 0 HG2 GLU A 131 7.074 21.451 40.576 1.00 19.31 H new ATOM 0 HG3 GLU A 131 8.059 20.923 41.663 1.00 19.31 H new ATOM 993 N GLU A 132 3.159 21.724 43.500 1.00 12.60 N ATOM 994 CA GLU A 132 2.208 21.776 44.619 1.00 12.73 C ATOM 995 C GLU A 132 0.913 21.050 44.208 1.00 13.16 C ATOM 996 O GLU A 132 0.361 20.287 44.990 1.00 12.92 O ATOM 997 CB GLU A 132 1.914 23.254 44.982 1.00 12.90 C ATOM 998 CG GLU A 132 0.942 23.448 46.144 1.00 13.83 C ATOM 999 CD GLU A 132 1.482 22.959 47.495 1.00 17.40 C ATOM 1000 OE1 GLU A 132 2.647 22.518 47.615 1.00 17.19 O ATOM 1001 OE2 GLU A 132 0.683 22.964 48.446 1.00 18.82 O ATOM 0 H GLU A 132 3.314 22.490 43.140 1.00 12.60 H new ATOM 0 HA GLU A 132 2.584 21.338 45.398 1.00 12.73 H new ATOM 0 HB2 GLU A 132 2.751 23.693 45.201 1.00 12.90 H new ATOM 0 HB3 GLU A 132 1.556 23.701 44.199 1.00 12.90 H new ATOM 0 HG2 GLU A 132 0.721 24.390 46.216 1.00 13.83 H new ATOM 0 HG3 GLU A 132 0.117 22.978 45.946 1.00 13.83 H new ATOM 1002 N ALA A 133 0.455 21.268 42.981 1.00 12.73 N ATOM 1003 CA ALA A 133 -0.727 20.551 42.475 1.00 12.36 C ATOM 1004 C ALA A 133 -0.512 19.031 42.545 1.00 12.08 C ATOM 1005 O ALA A 133 -1.401 18.291 42.999 1.00 12.26 O ATOM 1006 CB ALA A 133 -1.030 20.969 41.057 1.00 13.64 C ATOM 0 H ALA A 133 0.806 21.821 42.424 1.00 12.73 H new ATOM 0 HA ALA A 133 -1.484 20.781 43.036 1.00 12.36 H new ATOM 0 HB1 ALA A 133 -1.810 20.489 40.738 1.00 13.64 H new ATOM 0 HB2 ALA A 133 -1.205 21.923 41.031 1.00 13.64 H new ATOM 0 HB3 ALA A 133 -0.270 20.764 40.490 1.00 13.64 H new ATOM 1007 N LYS A 134 0.659 18.561 42.124 1.00 12.30 N ATOM 1008 CA LYS A 134 0.904 17.126 42.129 1.00 12.86 C ATOM 1009 C LYS A 134 0.760 16.577 43.536 1.00 12.60 C ATOM 1010 O LYS A 134 0.227 15.473 43.731 1.00 13.22 O ATOM 1011 CB LYS A 134 2.297 16.810 41.582 1.00 13.24 C ATOM 1012 CG LYS A 134 2.456 17.035 40.088 1.00 13.98 C ATOM 1013 CD LYS A 134 3.957 16.789 39.769 1.00 20.61 C ATOM 1014 CE LYS A 134 4.279 16.948 38.325 1.00 26.60 C ATOM 1015 NZ LYS A 134 5.778 16.863 38.115 1.00 27.10 N ATOM 0 H LYS A 134 1.310 19.045 41.838 1.00 12.30 H new ATOM 0 HA LYS A 134 0.247 16.703 41.554 1.00 12.86 H new ATOM 0 HB2 LYS A 134 2.947 17.357 42.050 1.00 13.24 H new ATOM 0 HB3 LYS A 134 2.508 15.885 41.782 1.00 13.24 H new ATOM 0 HG2 LYS A 134 1.891 16.428 39.584 1.00 13.98 H new ATOM 0 HG3 LYS A 134 2.193 17.936 39.844 1.00 13.98 H new ATOM 0 HD2 LYS A 134 4.498 17.407 40.286 1.00 20.61 H new ATOM 0 HD3 LYS A 134 4.200 15.894 40.053 1.00 20.61 H new ATOM 0 HE2 LYS A 134 3.833 16.258 37.809 1.00 26.60 H new ATOM 0 HE3 LYS A 134 3.948 17.801 38.004 1.00 26.60 H new ATOM 0 HZ1 LYS A 134 5.958 16.886 37.244 1.00 27.10 H new ATOM 0 HZ2 LYS A 134 6.174 17.551 38.518 1.00 27.10 H new ATOM 0 HZ3 LYS A 134 6.084 16.102 38.460 1.00 27.10 H new ATOM 1016 N LYS A 135 1.238 17.334 44.528 1.00 12.92 N ATOM 1017 CA LYS A 135 1.168 16.860 45.921 1.00 13.16 C ATOM 1018 C LYS A 135 -0.284 16.870 46.438 1.00 13.28 C ATOM 1019 O LYS A 135 -0.706 15.941 47.138 1.00 12.68 O ATOM 1020 CB LYS A 135 2.045 17.741 46.824 1.00 13.78 C ATOM 1021 CG LYS A 135 3.525 17.643 46.473 1.00 18.63 C ATOM 1022 CD LYS A 135 4.315 18.673 47.298 1.00 22.87 C ATOM 1023 CE LYS A 135 5.644 19.004 46.625 1.00 27.93 C ATOM 1024 NZ LYS A 135 6.394 19.987 47.473 1.00 31.60 N ATOM 0 H LYS A 135 1.599 18.107 44.423 1.00 12.92 H new ATOM 0 HA LYS A 135 1.496 15.947 45.944 1.00 13.16 H new ATOM 0 HB2 LYS A 135 1.758 18.664 46.748 1.00 13.78 H new ATOM 0 HB3 LYS A 135 1.917 17.480 47.749 1.00 13.78 H new ATOM 0 HG2 LYS A 135 3.852 16.748 46.655 1.00 18.63 H new ATOM 0 HG3 LYS A 135 3.654 17.805 45.525 1.00 18.63 H new ATOM 0 HD2 LYS A 135 3.790 19.482 47.401 1.00 22.87 H new ATOM 0 HD3 LYS A 135 4.477 18.324 48.189 1.00 22.87 H new ATOM 0 HE2 LYS A 135 6.169 18.197 46.506 1.00 27.93 H new ATOM 0 HE3 LYS A 135 5.489 19.374 45.742 1.00 27.93 H new ATOM 0 HZ1 LYS A 135 7.262 19.946 47.279 1.00 31.60 H new ATOM 0 HZ2 LYS A 135 6.093 20.809 47.312 1.00 31.60 H new ATOM 0 HZ3 LYS A 135 6.273 19.791 48.333 1.00 31.60 H new ATOM 1025 N ARG A 136 -1.021 17.946 46.142 1.00 12.12 N ATOM 1026 CA ARG A 136 -2.365 18.087 46.694 1.00 13.49 C ATOM 1027 C ARG A 136 -3.293 17.036 46.106 1.00 12.98 C ATOM 1028 O ARG A 136 -4.211 16.576 46.790 1.00 13.39 O ATOM 1029 CB ARG A 136 -2.934 19.481 46.470 1.00 13.84 C ATOM 1030 CG ARG A 136 -2.185 20.567 47.264 1.00 14.55 C ATOM 1031 CD ARG A 136 -2.970 21.866 47.390 1.00 14.85 C ATOM 1032 NE ARG A 136 -2.127 22.889 47.966 1.00 15.59 N ATOM 1033 CZ ARG A 136 -2.517 24.142 48.183 1.00 17.17 C ATOM 1034 NH1 ARG A 136 -3.775 24.495 47.952 1.00 17.87 N ATOM 1035 NH2 ARG A 136 -1.636 25.018 48.669 1.00 18.64 N ATOM 0 H ARG A 136 -0.765 18.591 45.634 1.00 12.12 H new ATOM 0 HA ARG A 136 -2.298 17.953 47.652 1.00 13.49 H new ATOM 0 HB2 ARG A 136 -2.895 19.693 45.524 1.00 13.84 H new ATOM 0 HB3 ARG A 136 -3.870 19.488 46.724 1.00 13.84 H new ATOM 0 HG2 ARG A 136 -1.984 20.230 48.151 1.00 14.55 H new ATOM 0 HG3 ARG A 136 -1.337 20.749 46.831 1.00 14.55 H new ATOM 0 HD2 ARG A 136 -3.287 22.149 46.518 1.00 14.85 H new ATOM 0 HD3 ARG A 136 -3.753 21.729 47.946 1.00 14.85 H new ATOM 0 HE ARG A 136 -1.323 22.674 48.182 1.00 15.59 H new ATOM 0 HH11 ARG A 136 -4.338 23.914 47.662 1.00 17.87 H new ATOM 0 HH12 ARG A 136 -4.027 25.305 48.092 1.00 17.87 H new ATOM 0 HH21 ARG A 136 -0.830 24.769 48.837 1.00 18.64 H new ATOM 0 HH22 ARG A 136 -1.874 25.832 48.814 1.00 18.64 H new ATOM 1036 N LEU A 137 -3.044 16.645 44.856 1.00 12.43 N ATOM 1037 CA LEU A 137 -3.973 15.718 44.169 1.00 12.70 C ATOM 1038 C LEU A 137 -3.827 14.293 44.696 1.00 14.24 C ATOM 1039 O LEU A 137 -4.586 13.408 44.282 1.00 15.24 O ATOM 1040 CB LEU A 137 -3.712 15.771 42.658 1.00 13.16 C ATOM 1041 CG LEU A 137 -4.284 17.064 42.037 1.00 11.35 C ATOM 1042 CD1 LEU A 137 -3.666 17.330 40.686 1.00 11.60 C ATOM 1043 CD2 LEU A 137 -5.792 16.927 41.893 1.00 12.72 C ATOM 0 H LEU A 137 -2.364 16.892 44.391 1.00 12.43 H new ATOM 0 HA LEU A 137 -4.885 15.997 44.348 1.00 12.70 H new ATOM 0 HB2 LEU A 137 -2.758 15.723 42.490 1.00 13.16 H new ATOM 0 HB3 LEU A 137 -4.114 14.999 42.231 1.00 13.16 H new ATOM 0 HG LEU A 137 -4.074 17.810 42.621 1.00 11.35 H new ATOM 0 HD11 LEU A 137 -4.038 18.145 40.314 1.00 11.60 H new ATOM 0 HD12 LEU A 137 -2.706 17.429 40.783 1.00 11.60 H new ATOM 0 HD13 LEU A 137 -3.856 16.588 40.091 1.00 11.60 H new ATOM 0 HD21 LEU A 137 -6.155 17.738 41.503 1.00 12.72 H new ATOM 0 HD22 LEU A 137 -5.995 16.173 41.318 1.00 12.72 H new ATOM 0 HD23 LEU A 137 -6.189 16.783 42.766 1.00 12.72 H new ATOM 1044 N GLU A 138 -2.840 14.073 45.574 1.00 14.86 N ATOM 1045 CA GLU A 138 -2.670 12.762 46.209 1.00 16.18 C ATOM 1046 C GLU A 138 -3.564 12.565 47.431 1.00 16.35 C ATOM 1047 O GLU A 138 -3.681 11.448 47.957 1.00 16.58 O ATOM 1048 CB GLU A 138 -1.196 12.530 46.564 1.00 16.57 C ATOM 1049 CG GLU A 138 -0.300 12.282 45.353 1.00 17.88 C ATOM 1050 CD GLU A 138 -0.698 11.066 44.537 1.00 21.77 C ATOM 1051 OE1 GLU A 138 -0.990 9.972 45.124 1.00 24.21 O ATOM 1052 OE2 GLU A 138 -0.714 11.169 43.295 1.00 21.61 O ATOM 0 H GLU A 138 -2.264 14.665 45.813 1.00 14.86 H new ATOM 0 HA GLU A 138 -2.951 12.098 45.561 1.00 16.18 H new ATOM 0 HB2 GLU A 138 -0.864 13.302 47.048 1.00 16.57 H new ATOM 0 HB3 GLU A 138 -1.133 11.770 47.163 1.00 16.57 H new ATOM 0 HG2 GLU A 138 -0.319 13.065 44.781 1.00 17.88 H new ATOM 0 HG3 GLU A 138 0.615 12.173 45.655 1.00 17.88 H new ATOM 1053 N LEU A 139 -4.162 13.648 47.913 1.00 17.00 N ATOM 1054 CA LEU A 139 -5.053 13.583 49.062 1.00 17.64 C ATOM 1055 C LEU A 139 -6.236 12.723 48.671 1.00 17.11 C ATOM 1056 O LEU A 139 -6.776 12.864 47.580 1.00 16.47 O ATOM 1057 CB LEU A 139 -5.489 14.990 49.455 1.00 18.41 C ATOM 1058 CG LEU A 139 -4.472 15.861 50.184 1.00 20.43 C ATOM 1059 CD1 LEU A 139 -5.059 17.273 50.372 1.00 23.70 C ATOM 1060 CD2 LEU A 139 -4.146 15.259 51.541 1.00 20.61 C ATOM 0 H LEU A 139 -4.063 14.437 47.585 1.00 17.00 H new ATOM 0 HA LEU A 139 -4.609 13.194 49.832 1.00 17.64 H new ATOM 0 HB2 LEU A 139 -5.760 15.456 48.649 1.00 18.41 H new ATOM 0 HB3 LEU A 139 -6.276 14.914 50.017 1.00 18.41 H new ATOM 0 HG LEU A 139 -3.657 15.911 49.660 1.00 20.43 H new ATOM 0 HD11 LEU A 139 -4.416 17.832 50.836 1.00 23.70 H new ATOM 0 HD12 LEU A 139 -5.257 17.660 49.505 1.00 23.70 H new ATOM 0 HD13 LEU A 139 -5.874 17.218 50.894 1.00 23.70 H new ATOM 0 HD21 LEU A 139 -3.499 15.820 51.997 1.00 20.61 H new ATOM 0 HD22 LEU A 139 -4.955 15.202 52.073 1.00 20.61 H new ATOM 0 HD23 LEU A 139 -3.776 14.371 51.421 1.00 20.61 H new ATOM 1061 N PRO A 140 -6.617 11.772 49.517 1.00 17.17 N ATOM 1062 CA PRO A 140 -7.648 10.807 49.114 1.00 17.21 C ATOM 1063 C PRO A 140 -8.914 11.489 48.583 1.00 17.19 C ATOM 1064 O PRO A 140 -9.512 10.948 47.669 1.00 16.89 O ATOM 1065 CB PRO A 140 -7.943 10.032 50.416 1.00 17.45 C ATOM 1066 CG PRO A 140 -6.780 10.279 51.268 1.00 18.85 C ATOM 1067 CD PRO A 140 -6.084 11.508 50.865 1.00 17.11 C ATOM 0 HA PRO A 140 -7.350 10.240 48.385 1.00 17.21 H new ATOM 0 HB2 PRO A 140 -8.760 10.346 50.835 1.00 17.45 H new ATOM 0 HB3 PRO A 140 -8.058 9.084 50.243 1.00 17.45 H new ATOM 0 HG2 PRO A 140 -7.062 10.352 52.193 1.00 18.85 H new ATOM 0 HG3 PRO A 140 -6.171 9.526 51.216 1.00 18.85 H new ATOM 0 HD2 PRO A 140 -6.270 12.240 51.473 1.00 17.11 H new ATOM 0 HD3 PRO A 140 -5.122 11.387 50.852 1.00 17.11 H new ATOM 1068 N GLU A 141 -9.277 12.649 49.133 1.00 18.53 N ATOM 1069 CA GLU A 141 -10.480 13.397 48.743 1.00 19.12 C ATOM 1070 C GLU A 141 -10.427 13.876 47.276 1.00 18.39 C ATOM 1071 O GLU A 141 -11.460 13.983 46.582 1.00 17.56 O ATOM 1072 CB GLU A 141 -10.668 14.597 49.671 1.00 20.89 C ATOM 1073 CG GLU A 141 -11.344 15.801 49.007 1.00 26.26 C ATOM 1074 CD GLU A 141 -11.822 16.881 49.975 1.00 34.27 C ATOM 1075 OE1 GLU A 141 -11.148 17.145 51.004 1.00 37.44 O ATOM 1076 OE2 GLU A 141 -12.878 17.494 49.665 1.00 38.28 O ATOM 0 H GLU A 141 -8.824 13.032 49.755 1.00 18.53 H new ATOM 0 HA GLU A 141 -11.234 12.792 48.823 1.00 19.12 H new ATOM 0 HB2 GLU A 141 -11.197 14.322 50.436 1.00 20.89 H new ATOM 0 HB3 GLU A 141 -9.801 14.871 50.009 1.00 20.89 H new ATOM 0 HG2 GLU A 141 -10.722 16.200 48.379 1.00 26.26 H new ATOM 0 HG3 GLU A 141 -12.104 15.486 48.492 1.00 26.26 H new ATOM 1077 N TYR A 142 -9.220 14.138 46.796 1.00 17.84 N ATOM 1078 CA TYR A 142 -9.042 14.591 45.419 1.00 17.50 C ATOM 1079 C TYR A 142 -8.640 13.451 44.513 1.00 18.01 C ATOM 1080 O TYR A 142 -9.053 13.371 43.352 1.00 17.51 O ATOM 1081 CB TYR A 142 -7.987 15.690 45.373 1.00 17.12 C ATOM 1082 CG TYR A 142 -8.358 16.900 46.169 1.00 17.84 C ATOM 1083 CD1 TYR A 142 -9.638 17.444 46.102 1.00 18.64 C ATOM 1084 CD2 TYR A 142 -7.418 17.517 46.995 1.00 17.40 C ATOM 1085 CE1 TYR A 142 -9.979 18.570 46.848 1.00 22.19 C ATOM 1086 CE2 TYR A 142 -7.734 18.634 47.728 1.00 22.50 C ATOM 1087 CZ TYR A 142 -9.009 19.165 47.661 1.00 23.11 C ATOM 1088 OH TYR A 142 -9.304 20.274 48.423 1.00 24.56 O ATOM 0 H TYR A 142 -8.492 14.061 47.247 1.00 17.84 H new ATOM 0 HA TYR A 142 -9.890 14.939 45.102 1.00 17.50 H new ATOM 0 HB2 TYR A 142 -7.147 15.337 45.705 1.00 17.12 H new ATOM 0 HB3 TYR A 142 -7.840 15.950 44.450 1.00 17.12 H new ATOM 0 HD1 TYR A 142 -10.275 17.050 45.551 1.00 18.64 H new ATOM 0 HD2 TYR A 142 -6.559 17.164 47.050 1.00 17.40 H new ATOM 0 HE1 TYR A 142 -10.839 18.921 46.806 1.00 22.19 H new ATOM 0 HE2 TYR A 142 -7.091 19.033 48.269 1.00 22.50 H new ATOM 0 HH TYR A 142 -8.621 20.509 48.852 1.00 24.56 H new ATOM 1089 N LEU A 143 -7.843 12.533 45.053 1.00 18.13 N ATOM 1090 CA LEU A 143 -7.439 11.360 44.292 1.00 18.62 C ATOM 1091 C LEU A 143 -8.622 10.593 43.708 1.00 18.33 C ATOM 1092 O LEU A 143 -8.560 10.116 42.566 1.00 19.83 O ATOM 1093 CB LEU A 143 -6.539 10.436 45.159 1.00 18.44 C ATOM 1094 CG LEU A 143 -5.684 9.422 44.406 1.00 19.36 C ATOM 1095 CD1 LEU A 143 -4.941 10.003 43.218 1.00 19.70 C ATOM 1096 CD2 LEU A 143 -4.698 8.692 45.334 1.00 17.70 C ATOM 0 H LEU A 143 -7.528 12.572 45.852 1.00 18.13 H new ATOM 0 HA LEU A 143 -6.924 11.676 43.533 1.00 18.62 H new ATOM 0 HB2 LEU A 143 -5.951 10.996 45.690 1.00 18.44 H new ATOM 0 HB3 LEU A 143 -7.107 9.953 45.780 1.00 18.44 H new ATOM 0 HG LEU A 143 -6.322 8.781 44.055 1.00 19.36 H new ATOM 0 HD11 LEU A 143 -4.421 9.306 42.789 1.00 19.70 H new ATOM 0 HD12 LEU A 143 -5.578 10.367 42.584 1.00 19.70 H new ATOM 0 HD13 LEU A 143 -4.348 10.709 43.520 1.00 19.70 H new ATOM 0 HD21 LEU A 143 -4.176 8.059 44.817 1.00 17.70 H new ATOM 0 HD22 LEU A 143 -4.105 9.338 45.748 1.00 17.70 H new ATOM 0 HD23 LEU A 143 -5.191 8.219 46.022 1.00 17.70 H new ATOM 1097 N LYS A 144 -9.716 10.470 44.462 1.00 17.13 N ATOM 1098 CA LYS A 144 -10.882 9.741 43.974 1.00 17.49 C ATOM 1099 C LYS A 144 -11.564 10.342 42.742 1.00 16.73 C ATOM 1100 O LYS A 144 -12.235 9.633 42.008 1.00 16.63 O ATOM 1101 CB LYS A 144 -11.923 9.601 45.076 1.00 17.19 C ATOM 1102 CG LYS A 144 -12.523 10.948 45.454 1.00 19.86 C ATOM 1103 CD LYS A 144 -13.611 10.849 46.495 1.00 23.98 C ATOM 1104 CE LYS A 144 -14.462 12.120 46.435 1.00 25.08 C ATOM 1105 NZ LYS A 144 -13.924 13.229 47.273 1.00 24.12 N ATOM 0 H LYS A 144 -9.801 10.799 45.252 1.00 17.13 H new ATOM 0 HA LYS A 144 -10.527 8.880 43.701 1.00 17.49 H new ATOM 0 HB2 LYS A 144 -12.628 9.003 44.782 1.00 17.19 H new ATOM 0 HB3 LYS A 144 -11.515 9.197 45.858 1.00 17.19 H new ATOM 0 HG2 LYS A 144 -11.819 11.526 45.786 1.00 19.86 H new ATOM 0 HG3 LYS A 144 -12.884 11.369 44.658 1.00 19.86 H new ATOM 0 HD2 LYS A 144 -14.162 10.067 46.333 1.00 23.98 H new ATOM 0 HD3 LYS A 144 -13.223 10.745 47.378 1.00 23.98 H new ATOM 0 HE2 LYS A 144 -14.522 12.419 45.514 1.00 25.08 H new ATOM 0 HE3 LYS A 144 -15.364 11.912 46.725 1.00 25.08 H new ATOM 0 HZ1 LYS A 144 -14.478 13.925 47.236 1.00 24.12 H new ATOM 0 HZ2 LYS A 144 -13.849 12.955 48.116 1.00 24.12 H new ATOM 0 HZ3 LYS A 144 -13.124 13.471 46.968 1.00 24.12 H new ATOM 1106 N ILE A 145 -11.431 11.649 42.548 1.00 17.08 N ATOM 1107 CA ILE A 145 -12.173 12.337 41.486 1.00 17.56 C ATOM 1108 C ILE A 145 -11.672 11.860 40.124 1.00 18.53 C ATOM 1109 O ILE A 145 -12.383 11.939 39.117 1.00 18.66 O ATOM 1110 CB ILE A 145 -12.017 13.883 41.629 1.00 17.22 C ATOM 1111 CG1AILE A 145 -12.604 14.293 42.989 0.50 16.82 C ATOM 1112 CG1BILE A 145 -12.487 14.347 43.011 0.50 18.10 C ATOM 1113 CG2 ILE A 145 -12.764 14.600 40.487 1.00 18.74 C ATOM 1114 CD1AILE A 145 -12.427 15.746 43.398 0.50 13.95 C ATOM 1115 CD1BILE A 145 -13.935 14.067 43.292 0.50 20.25 C ATOM 0 H ILE A 145 -10.919 12.158 43.016 1.00 17.08 H new ATOM 0 HA ILE A 145 -13.117 12.125 41.563 1.00 17.56 H new ATOM 0 HB AILE A 145 -11.081 14.134 41.578 0.50 17.22 H new ATOM 0 HB BILE A 145 -11.079 14.117 41.556 0.50 17.22 H new ATOM 0 HG12AILE A 145 -13.553 14.094 42.982 0.50 18.10 H new ATOM 0 HG12BILE A 145 -11.946 13.912 43.689 0.50 18.10 H new ATOM 0 HG13AILE A 145 -12.202 13.735 43.673 0.50 18.10 H new ATOM 0 HG13BILE A 145 -12.330 15.301 43.092 0.50 18.10 H new ATOM 0 HG21 ILE A 145 -12.661 15.560 40.585 1.00 18.74 H new ATOM 0 HG22 ILE A 145 -12.396 14.321 39.634 1.00 18.74 H new ATOM 0 HG23 ILE A 145 -13.706 14.371 40.522 1.00 18.74 H new ATOM 0 HD11AILE A 145 -12.834 15.890 44.267 0.50 20.25 H new ATOM 0 HD11BILE A 145 -14.160 14.386 44.180 0.50 20.25 H new ATOM 0 HD12AILE A 145 -11.481 15.956 43.445 0.50 20.25 H new ATOM 0 HD12BILE A 145 -14.486 14.522 42.636 0.50 20.25 H new ATOM 0 HD13AILE A 145 -12.853 16.321 42.743 0.50 20.25 H new ATOM 0 HD13BILE A 145 -14.096 13.112 43.242 0.50 20.25 H new ATOM 1116 N LYS A 146 -10.446 11.358 40.121 1.00 18.70 N ATOM 1117 CA LYS A 146 -9.843 10.727 38.951 1.00 20.98 C ATOM 1118 C LYS A 146 -10.723 9.611 38.396 1.00 21.27 C ATOM 1119 O LYS A 146 -10.699 9.318 37.180 1.00 21.42 O ATOM 1120 CB LYS A 146 -8.504 10.133 39.366 1.00 21.47 C ATOM 1121 CG LYS A 146 -7.582 9.839 38.224 1.00 25.18 C ATOM 1122 CD LYS A 146 -6.330 9.134 38.716 1.00 26.73 C ATOM 1123 CE LYS A 146 -5.560 8.589 37.512 1.00 30.82 C ATOM 1124 NZ LYS A 146 -4.202 8.026 37.826 1.00 33.87 N ATOM 0 H LYS A 146 -9.930 11.373 40.809 1.00 18.70 H new ATOM 0 HA LYS A 146 -9.735 11.398 38.259 1.00 20.98 H new ATOM 0 HB2 LYS A 146 -8.064 10.747 39.974 1.00 21.47 H new ATOM 0 HB3 LYS A 146 -8.664 9.313 39.858 1.00 21.47 H new ATOM 0 HG2 LYS A 146 -8.036 9.285 37.570 1.00 25.18 H new ATOM 0 HG3 LYS A 146 -7.340 10.665 37.777 1.00 25.18 H new ATOM 0 HD2 LYS A 146 -5.774 9.750 39.218 1.00 26.73 H new ATOM 0 HD3 LYS A 146 -6.567 8.411 39.317 1.00 26.73 H new ATOM 0 HE2 LYS A 146 -6.093 7.896 37.091 1.00 30.82 H new ATOM 0 HE3 LYS A 146 -5.457 9.301 36.862 1.00 30.82 H new ATOM 0 HZ1 LYS A 146 -3.822 7.732 37.077 1.00 33.87 H new ATOM 0 HZ2 LYS A 146 -3.693 8.661 38.187 1.00 33.87 H new ATOM 0 HZ3 LYS A 146 -4.286 7.351 38.401 1.00 33.87 H new ATOM 1125 N GLU A 147 -11.478 8.974 39.301 1.00 21.17 N ATOM 1126 CA GLU A 147 -12.330 7.845 38.952 1.00 21.44 C ATOM 1127 C GLU A 147 -13.796 8.219 38.763 1.00 20.78 C ATOM 1128 O GLU A 147 -14.630 7.329 38.608 1.00 20.22 O ATOM 1129 CB GLU A 147 -12.251 6.726 40.013 1.00 22.24 C ATOM 1130 CG GLU A 147 -10.883 6.443 40.620 1.00 27.62 C ATOM 1131 CD GLU A 147 -9.875 5.890 39.618 1.00 34.82 C ATOM 1132 OE1 GLU A 147 -10.271 5.514 38.489 1.00 38.67 O ATOM 1133 OE2 GLU A 147 -8.662 5.848 39.952 1.00 37.70 O ATOM 0 H GLU A 147 -11.506 9.190 40.133 1.00 21.17 H new ATOM 0 HA GLU A 147 -11.985 7.532 38.101 1.00 21.44 H new ATOM 0 HB2 GLU A 147 -12.860 6.951 40.734 1.00 22.24 H new ATOM 0 HB3 GLU A 147 -12.578 5.906 39.611 1.00 22.24 H new ATOM 0 HG2 GLU A 147 -10.531 7.262 41.003 1.00 27.62 H new ATOM 0 HG3 GLU A 147 -10.985 5.810 41.348 1.00 27.62 H new ATOM 1134 N ASP A 148 -14.117 9.516 38.762 1.00 19.14 N ATOM 1135 CA ASP A 148 -15.499 9.945 38.592 1.00 18.74 C ATOM 1136 C ASP A 148 -16.053 9.438 37.264 1.00 18.33 C ATOM 1137 O ASP A 148 -15.310 9.320 36.288 1.00 18.32 O ATOM 1138 CB ASP A 148 -15.590 11.473 38.595 1.00 18.79 C ATOM 1139 CG ASP A 148 -17.002 11.961 38.792 1.00 19.68 C ATOM 1140 OD1 ASP A 148 -17.729 12.058 37.790 1.00 19.76 O ATOM 1141 OD2 ASP A 148 -17.489 12.220 39.911 1.00 24.08 O ATOM 0 H ASP A 148 -13.550 10.156 38.858 1.00 19.14 H new ATOM 0 HA ASP A 148 -16.014 9.581 39.329 1.00 18.74 H new ATOM 0 HB2 ASP A 148 -15.026 11.827 39.300 1.00 18.79 H new ATOM 0 HB3 ASP A 148 -15.245 11.817 37.756 1.00 18.79 H new ATOM 1142 N ASN A 149 -17.356 9.155 37.240 1.00 19.20 N ATOM 1143 CA ASN A 149 -18.020 8.690 36.022 1.00 19.36 C ATOM 1144 C ASN A 149 -17.886 9.691 34.881 1.00 17.85 C ATOM 1145 O ASN A 149 -17.929 9.330 33.692 1.00 17.07 O ATOM 1146 CB ASN A 149 -19.481 8.395 36.301 1.00 20.40 C ATOM 1147 CG ASN A 149 -19.691 6.994 36.822 1.00 25.15 C ATOM 1148 OD1 ASN A 149 -18.766 6.162 36.826 1.00 28.20 O ATOM 1149 ND2 ASN A 149 -20.904 6.719 37.272 1.00 28.88 N ATOM 0 H ASN A 149 -17.875 9.226 37.922 1.00 19.20 H new ATOM 0 HA ASN A 149 -17.578 7.873 35.742 1.00 19.36 H new ATOM 0 HB2 ASN A 149 -19.820 9.033 36.948 1.00 20.40 H new ATOM 0 HB3 ASN A 149 -19.995 8.516 35.487 1.00 20.40 H new ATOM 0 HD21 ASN A 149 -21.080 5.937 37.584 1.00 28.88 H new ATOM 0 HD22 ASN A 149 -21.517 7.322 37.252 1.00 28.88 H new ATOM 1150 N PHE A 150 -17.657 10.947 35.254 1.00 17.01 N ATOM 1151 CA PHE A 150 -17.380 11.994 34.281 1.00 15.92 C ATOM 1152 C PHE A 150 -16.296 11.555 33.315 1.00 16.52 C ATOM 1153 O PHE A 150 -16.386 11.791 32.099 1.00 15.57 O ATOM 1154 CB PHE A 150 -16.917 13.265 35.033 1.00 15.08 C ATOM 1155 CG PHE A 150 -16.491 14.382 34.136 1.00 13.74 C ATOM 1156 CD1 PHE A 150 -17.426 15.161 33.480 1.00 12.45 C ATOM 1157 CD2 PHE A 150 -15.130 14.664 33.961 1.00 13.31 C ATOM 1158 CE1 PHE A 150 -17.007 16.225 32.626 1.00 13.43 C ATOM 1159 CE2 PHE A 150 -14.699 15.687 33.144 1.00 13.81 C ATOM 1160 CZ PHE A 150 -15.629 16.476 32.453 1.00 14.02 C ATOM 0 H PHE A 150 -17.658 11.213 36.072 1.00 17.01 H new ATOM 0 HA PHE A 150 -18.187 12.177 33.774 1.00 15.92 H new ATOM 0 HB2 PHE A 150 -17.640 13.576 35.600 1.00 15.08 H new ATOM 0 HB3 PHE A 150 -16.179 13.033 35.618 1.00 15.08 H new ATOM 0 HD1 PHE A 150 -18.333 14.991 33.596 1.00 12.45 H new ATOM 0 HD2 PHE A 150 -14.500 14.147 34.408 1.00 13.31 H new ATOM 0 HE1 PHE A 150 -17.637 16.749 32.187 1.00 13.43 H new ATOM 0 HE2 PHE A 150 -13.789 15.854 33.051 1.00 13.81 H new ATOM 0 HZ PHE A 150 -15.342 17.156 31.888 1.00 14.02 H new ATOM 1161 N PHE A 151 -15.226 10.976 33.870 1.00 16.89 N ATOM 1162 CA PHE A 151 -14.132 10.516 33.052 1.00 19.75 C ATOM 1163 C PHE A 151 -14.343 9.137 32.442 1.00 22.64 C ATOM 1164 O PHE A 151 -13.851 8.874 31.344 1.00 23.07 O ATOM 1165 CB PHE A 151 -12.871 10.482 33.888 1.00 19.86 C ATOM 1166 CG PHE A 151 -12.367 11.830 34.231 1.00 15.55 C ATOM 1167 CD1 PHE A 151 -11.917 12.700 33.231 1.00 14.85 C ATOM 1168 CD2 PHE A 151 -12.336 12.246 35.568 1.00 15.89 C ATOM 1169 CE1 PHE A 151 -11.445 13.972 33.564 1.00 14.55 C ATOM 1170 CE2 PHE A 151 -11.885 13.526 35.918 1.00 14.35 C ATOM 1171 CZ PHE A 151 -11.415 14.387 34.933 1.00 13.85 C ATOM 0 H PHE A 151 -15.126 10.846 34.714 1.00 16.89 H new ATOM 0 HA PHE A 151 -14.066 11.141 32.313 1.00 19.75 H new ATOM 0 HB2 PHE A 151 -13.044 9.990 34.706 1.00 19.86 H new ATOM 0 HB3 PHE A 151 -12.182 9.998 33.406 1.00 19.86 H new ATOM 0 HD1 PHE A 151 -11.932 12.430 32.341 1.00 14.85 H new ATOM 0 HD2 PHE A 151 -12.619 11.663 36.235 1.00 15.89 H new ATOM 0 HE1 PHE A 151 -11.151 14.549 32.896 1.00 14.55 H new ATOM 0 HE2 PHE A 151 -11.900 13.799 36.807 1.00 14.35 H new ATOM 0 HZ PHE A 151 -11.084 15.225 35.162 1.00 13.85 H new ATOM 1172 N GLN A 152 -15.020 8.276 33.187 1.00 26.11 N ATOM 1173 CA GLN A 152 -15.272 6.899 32.759 1.00 30.28 C ATOM 1174 C GLN A 152 -16.206 6.815 31.563 1.00 31.77 C ATOM 1175 O GLN A 152 -16.088 5.887 30.772 1.00 32.59 O ATOM 1176 CB GLN A 152 -15.760 6.036 33.922 1.00 30.03 C ATOM 1177 CG GLN A 152 -14.637 5.205 34.556 1.00 33.91 C ATOM 1178 CD GLN A 152 -14.733 5.121 36.079 1.00 39.40 C ATOM 1179 OE1 GLN A 152 -15.952 5.253 36.607 1.00 42.18 O flip ATOM 1180 NE2 GLN A 152 -13.718 4.926 36.769 1.00 42.32 N flip ATOM 0 H GLN A 152 -15.349 8.470 33.958 1.00 26.11 H new ATOM 0 HA GLN A 152 -14.421 6.541 32.461 1.00 30.28 H new ATOM 0 HB2 GLN A 152 -16.156 6.607 34.599 1.00 30.03 H new ATOM 0 HB3 GLN A 152 -16.459 5.441 33.607 1.00 30.03 H new ATOM 0 HG2 GLN A 152 -14.659 4.308 34.187 1.00 33.91 H new ATOM 0 HG3 GLN A 152 -13.781 5.591 34.313 1.00 33.91 H new ATOM 0 HE21 GLN A 152 -12.950 4.846 36.391 1.00 42.32 H new ATOM 0 HE22 GLN A 152 -13.784 4.871 37.625 1.00 42.32 H new ATOM 1181 N VAL A 153 -17.110 7.785 31.406 1.00 34.10 N ATOM 1182 CA VAL A 153 -17.931 7.850 30.191 1.00 35.99 C ATOM 1183 C VAL A 153 -17.128 8.269 28.952 1.00 37.54 C ATOM 1184 O VAL A 153 -17.445 7.869 27.819 1.00 37.67 O ATOM 1185 CB VAL A 153 -19.238 8.707 30.365 1.00 35.92 C ATOM 1186 CG1 VAL A 153 -18.945 10.197 30.467 1.00 34.54 C ATOM 1187 CG2 VAL A 153 -20.244 8.418 29.229 1.00 36.58 C ATOM 0 H VAL A 153 -17.263 8.406 31.981 1.00 34.10 H new ATOM 0 HA VAL A 153 -18.227 6.939 30.037 1.00 35.99 H new ATOM 0 HB VAL A 153 -19.640 8.440 31.206 1.00 35.92 H new ATOM 0 HG11 VAL A 153 -19.777 10.684 30.573 1.00 34.54 H new ATOM 0 HG12 VAL A 153 -18.374 10.363 31.233 1.00 34.54 H new ATOM 0 HG13 VAL A 153 -18.497 10.495 29.660 1.00 34.54 H new ATOM 0 HG21 VAL A 153 -21.040 8.957 29.357 1.00 36.58 H new ATOM 0 HG22 VAL A 153 -19.840 8.637 28.375 1.00 36.58 H new ATOM 0 HG23 VAL A 153 -20.484 7.478 29.241 1.00 36.58 H new ATOM 1188 N SER A 154 -16.080 9.058 29.171 1.00 39.09 N ATOM 1189 CA SER A 154 -15.287 9.577 28.059 1.00 40.71 C ATOM 1190 C SER A 154 -14.391 8.506 27.409 1.00 41.64 C ATOM 1191 O SER A 154 -13.991 8.664 26.249 1.00 42.24 O ATOM 1192 CB SER A 154 -14.467 10.806 28.477 1.00 40.70 C ATOM 1193 OG SER A 154 -14.861 11.295 29.750 1.00 40.94 O ATOM 0 H SER A 154 -15.812 9.304 29.950 1.00 39.09 H new ATOM 0 HA SER A 154 -15.923 9.854 27.381 1.00 40.71 H new ATOM 0 HB2 SER A 154 -13.525 10.575 28.497 1.00 40.70 H new ATOM 0 HB3 SER A 154 -14.573 11.506 27.814 1.00 40.70 H new ATOM 0 HG SER A 154 -14.394 11.964 29.950 1.00 40.94 H new ATOM 1194 N LYS A 155 -14.070 7.435 28.144 1.00 42.82 N ATOM 1195 CA LYS A 155 -13.502 6.215 27.522 1.00 43.60 C ATOM 1196 C LYS A 155 -14.610 5.232 27.092 1.00 44.09 C ATOM 1197 O LYS A 155 -14.703 4.727 25.963 1.00 44.44 O ATOM 1198 CB LYS A 155 -12.467 5.508 28.418 1.00 43.69 C ATOM 1199 CG LYS A 155 -12.331 6.038 29.848 1.00 43.06 C ATOM 1200 CD LYS A 155 -11.016 6.785 30.047 1.00 42.81 C ATOM 1201 CE LYS A 155 -10.239 6.271 31.258 1.00 42.86 C ATOM 1202 NZ LYS A 155 -10.884 6.696 32.525 1.00 41.90 N ATOM 1203 OXT LYS A 155 -15.529 4.860 27.826 1.00 44.39 O ATOM 0 H LYS A 155 -14.170 7.388 28.997 1.00 42.82 H new ATOM 0 HA LYS A 155 -13.030 6.515 26.729 1.00 43.60 H new ATOM 0 HB2 LYS A 155 -12.696 4.567 28.463 1.00 43.69 H new ATOM 0 HB3 LYS A 155 -11.600 5.569 27.987 1.00 43.69 H new ATOM 0 HG2 LYS A 155 -13.073 6.630 30.047 1.00 43.06 H new ATOM 0 HG3 LYS A 155 -12.382 5.299 30.474 1.00 43.06 H new ATOM 0 HD2 LYS A 155 -10.470 6.693 29.251 1.00 42.81 H new ATOM 0 HD3 LYS A 155 -11.197 7.731 30.159 1.00 42.81 H new ATOM 0 HE2 LYS A 155 -10.188 5.303 31.226 1.00 42.86 H new ATOM 0 HE3 LYS A 155 -9.329 6.604 31.227 1.00 42.86 H new ATOM 0 HZ1 LYS A 155 -10.416 6.386 33.215 1.00 41.90 H new ATOM 0 HZ2 LYS A 155 -10.912 7.585 32.561 1.00 41.90 H new ATOM 0 HZ3 LYS A 155 -11.712 6.372 32.560 1.00 41.90 H new TER 1204 LYS A 155 HETATM 1205 MG MG A 201 -1.542 27.946 25.441 1.00 18.99 MG HETATM 1206 PB ADP A 301 -1.941 27.686 22.233 1.00 20.28 P HETATM 1207 O1B ADP A 301 -2.326 28.218 23.561 1.00 19.51 O HETATM 1208 O2B ADP A 301 -2.800 26.525 21.734 1.00 20.22 O HETATM 1209 O3B ADP A 301 -1.930 28.822 21.269 1.00 21.75 O HETATM 1210 PA ADP A 301 0.469 26.463 23.374 1.00 19.34 P HETATM 1211 O1A ADP A 301 1.924 26.804 23.009 1.00 19.76 O HETATM 1212 O2A ADP A 301 0.026 26.891 24.778 1.00 19.05 O HETATM 1213 O3A ADP A 301 -0.405 27.183 22.282 1.00 19.22 O HETATM 1214 O5' ADP A 301 0.322 24.930 23.219 1.00 18.20 O HETATM 1215 C5' ADP A 301 -0.950 24.313 23.542 1.00 19.69 C HETATM 1216 C4' ADP A 301 -1.153 22.983 22.819 1.00 20.46 C HETATM 1217 O4' ADP A 301 -0.198 22.025 23.212 1.00 20.39 O HETATM 1218 C3' ADP A 301 -2.464 22.249 23.136 1.00 20.04 C HETATM 1219 O3' ADP A 301 -3.569 22.664 22.324 1.00 20.50 O HETATM 1220 C2' ADP A 301 -2.136 20.805 22.845 1.00 22.97 C HETATM 1221 O2' ADP A 301 -2.348 20.525 21.473 1.00 22.44 O HETATM 1222 C1' ADP A 301 -0.628 20.698 23.032 1.00 21.28 C HETATM 1223 N9 ADP A 301 -0.180 20.007 24.261 1.00 19.74 N HETATM 1224 C8 ADP A 301 0.757 18.974 24.290 1.00 20.06 C HETATM 1225 N7 ADP A 301 0.981 18.568 25.541 1.00 20.46 N HETATM 1226 C5 ADP A 301 0.185 19.320 26.362 1.00 18.99 C HETATM 1227 C6 ADP A 301 0.035 19.318 27.763 1.00 20.68 C HETATM 1228 N6 ADP A 301 0.800 18.611 28.590 1.00 18.50 N HETATM 1229 N1 ADP A 301 -0.862 20.214 28.304 1.00 17.87 N HETATM 1230 C2 ADP A 301 -1.551 21.079 27.479 1.00 17.42 C HETATM 1231 N3 ADP A 301 -1.443 21.071 26.105 1.00 19.45 N HETATM 1232 C4 ADP A 301 -0.559 20.188 25.564 1.00 19.98 C HETATM 0 HO3' ADP A 301 -3.282 23.065 21.644 1.00 20.50 H new HETATM 0 HO2' ADP A 301 -2.828 21.126 21.135 1.00 22.44 H new HETATM 0 HN62 ADP A 301 0.664 18.647 29.438 1.00 18.50 H new HETATM 0 HN61 ADP A 301 1.431 18.118 28.276 1.00 18.50 H new HETATM 0 H5'2 ADP A 301 -1.003 24.169 24.500 1.00 19.69 H new HETATM 0 H5'1 ADP A 301 -1.670 24.919 23.307 1.00 19.69 H new HETATM 0 H8 ADP A 301 1.188 18.601 23.505 1.00 20.06 H new HETATM 0 H4' ADP A 301 -1.111 23.261 21.891 1.00 20.46 H new HETATM 0 H3' ADP A 301 -2.747 22.427 24.047 1.00 20.04 H new HETATM 0 H2' ADP A 301 -2.668 20.216 23.403 1.00 22.97 H new HETATM 0 H2 ADP A 301 -2.144 21.728 27.888 1.00 17.42 H new HETATM 0 H1' ADP A 301 -0.282 20.202 22.274 1.00 21.28 H new HETATM 1233 N1 RBF A 401 0.414 34.782 34.454 1.00 25.93 N HETATM 1234 C2 RBF A 401 0.490 35.826 35.328 1.00 29.05 C HETATM 1235 O2 RBF A 401 0.609 36.993 34.866 1.00 31.18 O HETATM 1236 N3 RBF A 401 0.464 35.665 36.668 1.00 25.31 N HETATM 1237 C4 RBF A 401 0.327 34.457 37.255 1.00 21.16 C HETATM 1238 O4 RBF A 401 0.226 34.327 38.500 1.00 21.35 O HETATM 1239 C4A RBF A 401 0.233 33.277 36.385 1.00 19.07 C HETATM 1240 N5 RBF A 401 0.139 32.046 36.917 1.00 19.90 N HETATM 1241 C5A RBF A 401 0.073 30.969 36.094 1.00 18.50 C HETATM 1242 C6 RBF A 401 -0.014 29.693 36.660 1.00 19.21 C HETATM 1243 C7 RBF A 401 -0.110 28.571 35.812 1.00 17.84 C HETATM 1244 C7M RBF A 401 -0.239 27.187 36.371 1.00 20.48 C HETATM 1245 C8 RBF A 401 -0.087 28.755 34.346 1.00 21.63 C HETATM 1246 C8M RBF A 401 -0.189 27.553 33.435 1.00 21.06 C HETATM 1247 C9 RBF A 401 0.001 30.025 33.789 1.00 19.87 C HETATM 1248 C9A RBF A 401 0.096 31.150 34.611 1.00 19.17 C HETATM 1249 N10 RBF A 401 0.217 32.436 34.056 1.00 20.72 N HETATM 1250 C10 RBF A 401 0.301 33.507 34.928 1.00 21.30 C HETATM 1251 C1' RBF A 401 0.187 32.751 32.603 1.00 22.26 C HETATM 1252 C2' RBF A 401 1.316 32.274 31.761 0.50 25.48 C HETATM 1253 O2' RBF A 401 2.151 33.396 31.932 0.50 29.37 O HETATM 1254 C3' RBF A 401 0.674 31.957 30.386 0.50 29.68 C HETATM 1255 O3' RBF A 401 0.543 30.552 30.307 0.50 28.35 O HETATM 1256 C4' RBF A 401 1.358 32.331 29.078 0.30 32.55 C HETATM 1257 O4' RBF A 401 2.043 33.541 29.328 1.00 41.54 O HETATM 1258 C5' RBF A 401 0.355 32.476 27.907 0.10 31.89 C HETATM 1259 O5' RBF A 401 -0.409 31.303 27.536 1.00 28.56 O HETATM 0 HO5' RBF A 401 -1.026 31.183 28.093 1.00 28.56 H new HETATM 0 HO4' RBF A 401 2.440 33.788 28.630 1.00 41.54 H new HETATM 0 HO3' RBF A 401 -0.271 30.347 30.288 0.50 28.35 H new HETATM 0 HO2' RBF A 401 2.333 33.727 31.182 0.50 29.37 H new HETATM 0 HC83 RBF A 401 0.552 26.952 33.608 1.00 21.06 H new HETATM 0 HC82 RBF A 401 -1.026 27.091 33.601 1.00 21.06 H new HETATM 0 HC81 RBF A 401 -0.159 27.844 32.510 1.00 21.06 H new HETATM 0 HC73 RBF A 401 0.534 26.987 36.921 1.00 20.48 H new HETATM 0 HC72 RBF A 401 -1.043 27.129 36.911 1.00 20.48 H new HETATM 0 HC71 RBF A 401 -0.292 26.548 35.643 1.00 20.48 H new HETATM 0 HC52 RBF A 401 -0.270 33.182 28.134 0.10 31.89 H new HETATM 0 HC51 RBF A 401 0.847 32.773 27.126 0.10 31.89 H new HETATM 0 HC4' RBF A 401 1.967 31.630 28.799 0.30 32.55 H new HETATM 0 HC3' RBF A 401 -0.118 32.516 30.415 0.50 29.68 H new HETATM 0 HC2' RBF A 401 1.828 31.469 31.937 0.50 25.48 H new HETATM 0 HC12 RBF A 401 -0.633 32.384 32.236 1.00 22.26 H new HETATM 0 HC11 RBF A 401 0.133 33.715 32.509 1.00 22.26 H new HETATM 0 HN3 RBF A 401 0.538 36.361 37.168 1.00 25.31 H new HETATM 0 HC9 RBF A 401 -0.004 30.131 32.825 1.00 19.87 H new HETATM 0 HC6 RBF A 401 -0.008 29.582 37.624 1.00 19.21 H new HETATM 1260 O HOH A 501 -4.663 25.141 22.965 1.00 19.92 O HETATM 1261 O HOH A 502 -3.115 29.076 26.280 1.00 17.68 O HETATM 1262 O HOH A 503 -8.465 25.040 29.198 1.00 17.84 O HETATM 1263 O HOH A 504 -9.716 31.237 27.323 1.00 26.54 O HETATM 1264 O HOH A 505 3.869 29.078 42.690 1.00 24.26 O HETATM 1265 O HOH A 506 16.585 35.312 33.775 1.00 25.12 O HETATM 1266 O HOH A 507 -16.122 22.938 22.494 1.00 24.32 O HETATM 1267 O HOH A 508 -1.190 30.958 22.828 1.00 21.96 O HETATM 1268 O HOH A 509 3.322 17.358 26.231 1.00 25.57 O HETATM 1269 O HOH A 510 -5.550 11.960 28.288 1.00 22.82 O HETATM 1270 O HOH A 511 -0.300 13.421 35.894 1.00 24.72 O HETATM 1271 O HOH A 512 -19.647 21.048 37.261 1.00 31.57 O HETATM 1272 O HOH A 513 2.171 13.019 40.131 1.00 31.26 O HETATM 1273 O HOH A 514 -6.468 36.484 41.109 1.00 28.44 O HETATM 1274 O HOH A 515 -3.561 27.410 48.505 1.00 26.25 O HETATM 1275 O HOH A 516 -7.009 31.082 26.679 1.00 24.39 O HETATM 1276 O HOH A 517 -8.888 23.463 17.101 1.00 36.58 O HETATM 1277 O HOH A 518 2.214 27.304 20.316 1.00 26.09 O HETATM 1278 O HOH A 519 -19.893 22.786 39.966 1.00 34.63 O HETATM 1279 O HOH A 520 -3.323 18.677 16.750 1.00 34.05 O HETATM 1280 O HOH A 521 -15.743 15.251 45.845 1.00 44.89 O HETATM 1281 O HOH A 522 3.818 30.833 18.908 1.00 42.29 O HETATM 1282 O HOH A 523 3.169 34.737 46.975 1.00 33.48 O HETATM 1283 O HOH A 524 4.385 11.706 30.827 1.00 32.03 O HETATM 1284 O HOH A 525 -17.450 29.417 21.996 1.00 32.34 O HETATM 1285 O HOH A 526 5.129 22.334 46.656 1.00 28.77 O HETATM 1286 O HOH A 527 -6.392 23.200 47.776 1.00 32.39 O HETATM 1287 O HOH A 528 10.851 27.530 30.505 1.00 27.06 O HETATM 1288 O HOH A 529 -2.876 30.845 16.732 1.00 24.54 O HETATM 1289 O HOH A 530 -7.252 7.034 33.635 1.00 31.69 O HETATM 1290 O HOH A 531 -18.215 25.483 31.504 1.00 36.91 O HETATM 1291 O HOH A 532 -7.881 30.754 22.413 1.00 31.19 O HETATM 1292 O HOH A 533 -5.993 38.454 34.495 1.00 33.21 O HETATM 1293 O HOH A 534 -4.593 33.441 23.628 1.00 31.10 O HETATM 1294 O HOH A 535 -10.069 28.484 27.276 1.00 28.92 O HETATM 1295 O HOH A 536 1.281 23.884 50.792 1.00 36.26 O HETATM 1296 O HOH A 537 9.668 26.437 41.243 1.00 33.15 O HETATM 1297 O HOH A 538 -10.983 9.956 28.810 1.00 35.53 O HETATM 1298 O HOH A 539 5.417 17.498 43.386 1.00 34.59 O HETATM 1299 O HOH A 540 -3.638 32.304 32.196 1.00 36.89 O HETATM 1300 O HOH A 541 -9.162 24.479 47.261 1.00 32.92 O HETATM 1301 O HOH A 542 -13.397 19.730 45.030 1.00 33.52 O HETATM 1302 O HOH A 543 -7.004 38.182 38.571 1.00 35.43 O HETATM 1303 O HOH A 544 1.721 11.130 33.078 1.00 37.32 O HETATM 1304 O HOH A 545 -16.186 34.890 30.951 1.00 33.57 O HETATM 1305 O HOH A 546 4.071 31.975 26.273 1.00 40.66 O HETATM 1306 O HOH A 547 -8.438 29.891 17.956 1.00 40.68 O HETATM 1307 O HOH A 548 3.083 38.461 35.614 1.00 42.07 O HETATM 1308 O HOH A 549 -1.914 13.651 21.518 1.00 47.37 O HETATM 1309 O HOH A 550 0.807 25.155 19.081 1.00 32.20 O HETATM 1310 O HOH A 551 5.928 24.054 44.842 1.00 32.52 O HETATM 1311 O HOH A 552 -1.290 7.355 44.024 1.00 43.50 O HETATM 1312 O HOH A 553 -13.236 19.021 16.854 1.00 39.71 O HETATM 1313 O HOH A 554 5.501 20.104 30.577 1.00 38.69 O HETATM 1314 O HOH A 555 -17.480 33.656 35.217 1.00 41.93 O HETATM 1315 O HOH A 556 -16.433 33.273 32.867 1.00 37.37 O HETATM 1316 O HOH A 557 1.058 40.448 42.587 1.00 34.96 O HETATM 1317 O HOH A 558 -9.482 7.130 35.504 1.00 42.02 O HETATM 1318 O HOH A 559 -10.983 22.160 46.987 1.00 39.55 O HETATM 1319 O HOH A 560 -20.040 32.683 25.230 1.00 42.47 O HETATM 1320 O HOH A 561 -2.213 9.521 40.497 1.00 56.47 O HETATM 1321 O HOH A 562 0.533 14.931 49.230 1.00 37.12 O HETATM 1322 O HOH A 563 1.688 17.212 16.733 1.00 39.13 O HETATM 1323 O HOH A 564 -4.216 7.750 27.389 1.00 44.06 O HETATM 1324 O HOH A 565 -16.203 12.121 42.113 1.00 39.31 O HETATM 1325 O HOH A 566 -3.137 9.542 28.136 1.00 48.16 O HETATM 1326 O HOH A 567 8.414 38.949 40.699 1.00 43.00 O HETATM 1327 O HOH A 568 -0.339 29.633 25.268 1.00 18.13 O HETATM 1328 O HOH A 569 -6.122 32.201 31.447 1.00 25.98 O HETATM 1329 O HOH A 570 4.608 19.599 33.364 1.00 31.02 O HETATM 1330 O HOH A 571 4.027 14.205 36.186 1.00 41.34 O HETATM 1331 O HOH A 572 14.200 36.441 32.834 1.00 36.79 O HETATM 1332 O HOH A 573 1.837 14.130 37.646 1.00 35.23 O HETATM 1333 O HOH A 574 4.502 18.786 28.578 1.00 37.58 O HETATM 1334 O HOH A 575 -4.174 10.746 26.325 1.00 40.59 O HETATM 1335 O HOH A 576 9.255 23.553 41.503 1.00 37.52 O HETATM 1336 O HOH A 577 -7.039 29.626 15.851 1.00 36.28 O HETATM 1337 O HOH A 578 -0.637 10.734 34.777 1.00 37.29 O HETATM 1338 O HOH A 579 7.426 21.505 37.870 1.00 41.29 O HETATM 1339 O HOH A 580 8.489 22.856 43.921 1.00 39.81 O HETATM 1340 O HOH A 581 -11.562 32.917 26.140 1.00 43.83 O HETATM 1341 O HOH A 582 -7.022 32.572 23.654 1.00 45.39 O HETATM 1342 O HOH A 583 -13.689 17.335 46.022 1.00 49.37 O HETATM 1343 O HOH A 584 -12.245 37.016 40.018 1.00 44.62 O HETATM 1344 O HOH A 585 -20.686 19.620 34.703 1.00 40.63 O HETATM 1345 O HOH A 586 2.730 18.196 21.576 1.00 45.41 O HETATM 1346 O HOH A 587 -13.682 34.463 27.233 1.00 35.93 O HETATM 1347 O HOH A 588 -10.646 12.386 17.582 1.00 46.04 O HETATM 1348 O HOH A 589 -21.869 31.787 26.181 1.00 50.50 O HETATM 1349 O HOH A 590 -1.346 41.019 42.839 1.00 48.19 O HETATM 1350 O HOH A 591 0.244 9.847 25.788 1.00 42.90 O HETATM 1351 O HOH A 592 11.824 26.128 39.377 1.00 41.90 O HETATM 1352 O HOH A 593 -10.570 30.446 22.927 1.00 37.76 O HETATM 1353 O HOH A 594 -4.070 7.775 34.664 1.00 44.64 O HETATM 1354 O HOH A 595 -8.006 26.028 16.924 1.00 33.47 O HETATM 1355 O HOH A 596 -14.753 9.006 42.104 1.00 44.36 O HETATM 1356 O HOH A 597 -16.542 37.685 33.860 1.00 41.14 O HETATM 1357 O HOH A 598 11.876 38.996 31.922 1.00 42.95 O HETATM 1358 O HOH A 599 10.124 26.745 43.960 1.00 39.71 O HETATM 1359 O HOH A 600 -5.577 16.903 16.817 1.00 42.83 O HETATM 1360 O HOH A 601 -6.285 27.315 48.495 1.00 47.22 O HETATM 1361 O HOH A 602 -19.535 36.023 30.743 1.00 53.75 O HETATM 1362 O HOH A 603 -11.869 32.835 23.498 1.00 49.38 O HETATM 1363 O HOH A 604 -3.101 31.899 24.711 1.00 45.62 O HETATM 1364 O HOH A 605 -5.448 32.027 28.826 1.00 38.17 O HETATM 1365 O HOH A 606 -5.892 41.138 34.342 1.00 54.29 O HETATM 1366 O HOH A 607 -16.018 33.050 36.951 1.00 49.81 O HETATM 1367 O HOH A 608 4.568 38.105 42.903 1.00 44.58 O HETATM 1368 O HOH A 609 5.056 14.825 43.486 1.00 44.46 O HETATM 1369 O HOH A 610 -2.890 40.866 38.670 1.00 60.54 O HETATM 1370 O HOH A 611 -14.080 31.177 21.048 1.00 39.70 O HETATM 1371 O HOH A 612 8.400 29.957 42.508 1.00 44.72 O HETATM 1372 O HOH A 613 -2.169 8.905 47.493 1.00 47.75 O HETATM 1373 O HOH A 614 -14.109 13.361 25.398 1.00 40.98 O HETATM 1374 O HOH A 615 -4.557 33.233 36.637 1.00 34.64 O HETATM 1375 O HOH A 616 0.550 10.929 23.546 1.00 50.80 O HETATM 1376 O HOH A 617 -0.157 21.348 15.981 1.00 49.87 O HETATM 1377 O HOH A 618 -8.705 8.275 47.231 1.00 45.76 O CONECT 208 1205 CONECT 210 1205 CONECT 1205 208 210 1207 1212 CONECT 1205 1261 1327 CONECT 1206 1207 1208 1209 1213 CONECT 1207 1205 1206 CONECT 1208 1206 CONECT 1209 1206 CONECT 1210 1211 1212 1213 1214 CONECT 1211 1210 CONECT 1212 1205 1210 CONECT 1213 1206 1210 CONECT 1214 1210 1215 CONECT 1215 1214 1216 CONECT 1216 1215 1217 1218 CONECT 1217 1216 1222 CONECT 1218 1216 1219 1220 CONECT 1219 1218 CONECT 1220 1218 1221 1222 CONECT 1221 1220 CONECT 1222 1217 1220 1223 CONECT 1223 1222 1224 1232 CONECT 1224 1223 1225 CONECT 1225 1224 1226 CONECT 1226 1225 1227 1232 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 CONECT 1230 1229 1231 CONECT 1231 1230 1232 CONECT 1232 1223 1226 1231 CONECT 1233 1234 1250 CONECT 1234 1233 1235 1236 CONECT 1235 1234 CONECT 1236 1234 1237 CONECT 1237 1236 1238 1239 CONECT 1238 1237 CONECT 1239 1237 1240 1250 CONECT 1240 1239 1241 CONECT 1241 1240 1242 1248 CONECT 1242 1241 1243 CONECT 1243 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 1246 1247 CONECT 1246 1245 CONECT 1247 1245 1248 CONECT 1248 1241 1247 1249 CONECT 1249 1248 1250 1251 CONECT 1250 1233 1239 1249 CONECT 1251 1249 1252 CONECT 1252 1251 1253 1254 CONECT 1253 1252 CONECT 1254 1252 1255 1256 CONECT 1255 1254 CONECT 1256 1254 1257 1258 CONECT 1257 1256 CONECT 1258 1256 1259 CONECT 1259 1258 CONECT 1261 1205 CONECT 1327 1205 END