USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ANTIVIRAL PROTEIN 21-JAN-10 3LHC TITLE CRYSTAL STRUCTURE OF CYANOVIRIN-N SWAPPING DOMAIN B MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYANOVIRIN-N; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CV-N; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; SOURCE 3 ORGANISM_TAXID: 45916; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET26B KEYWDS CYANOVIRIN-N, SUGAR BINDING PROTEIN, HIV-INACTIVATING, GP120, KEYWDS 2 ANTIVIRAL PROTEIN, PROTEIN SYNTHESIS INHIBITOR, LECTIN EXPDTA X-RAY DIFFRACTION AUTHOR E.MATEI,A.ZHENG,W.FUREY,J.ROSE,C.AIKEN,A.M.GRONENBORN REVDAT 2 05-MAY-10 3LHC 1 JRNL REVDAT 1 09-FEB-10 3LHC 0 JRNL AUTH E.MATEI,A.ZHENG,W.FUREY,J.ROSE,C.AIKEN,A.M.GRONENBORN JRNL TITL ANTI-HIV ACTIVITY OF DEFECTIVE CYANOVIRIN-N MUTANTS IS JRNL TITL 2 RESTORED BY DIMERIZATION. JRNL REF J.BIOL.CHEM. V. 285 13057 2010 JRNL REFN ISSN 0021-9258 JRNL PMID 20147291 JRNL DOI 10.1074/JBC.M109.094938 REMARK 2 REMARK 2 RESOLUTION. 1.34 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.34 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 36.21 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1393553.820 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 92.9 REMARK 3 NUMBER OF REFLECTIONS : 21667 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 SET) : 0.199 REMARK 3 FREE R VALUE : 0.221 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2158 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.34 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.42 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 89.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3026 REMARK 3 BIN R VALUE (WORKING SET) : 0.3220 REMARK 3 BIN FREE R VALUE : 0.3140 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.40 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 350 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.017 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 742 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 17 REMARK 3 SOLVENT ATOMS : 120 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 16.90 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.88000 REMARK 3 B22 (A**2) : 0.88000 REMARK 3 B33 (A**2) : -1.76000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : 0.12 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.19 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.12 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 27.20 REMARK 3 IMPROPER ANGLES (DEGREES) : 4.06 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.140 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.640 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.880 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.720 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 44.14 REMARK 3 REMARK 3 NCS MODEL : NONE REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : IONS.TOP OTHER REFINEMENT REMARKS: NULL REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 3LHC COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-FEB-10. REMARK 100 THE RCSB ID CODE IS RCSB057278. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-JUL-08 REMARK 200 TEMPERATURE (KELVIN) : 93 REMARK 200 PH : 6.0 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 FR-E SUPERBRIGHT REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : OSMIC MIRRORS REMARK 200 OPTICS : HF VARIMAX REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : D*TREK REMARK 200 DATA SCALING SOFTWARE : D*TREK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23076 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.340 REMARK 200 RESOLUTION RANGE LOW (A) : 36.210 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 200 DATA REDUNDANCY : 7.800 REMARK 200 R MERGE (I) : 0.09000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 14.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.34 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.39 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.4 REMARK 200 DATA REDUNDANCY IN SHELL : 5.60 REMARK 200 R MERGE FOR SHELL (I) : 0.34000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER 1.3.1 REMARK 200 STARTING MODEL: 2EZM REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20 MILI MOLAR SODIUM PHOSPHATE, 50 REMARK 280 MILI MOLAR POTASSIUM PHOSPHATE, 20% POLYETHYLENE GLYCOL 8000, REMARK 280 0.01 % SODIUM AZIDE, PH 6.0, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 295 K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 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+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 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 52.26000 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 26.13000 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 26.13000 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 52.26000 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 7790 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10570 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -104.0 KCAL/MOL 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 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 350 BIOMT2 2 -0.866025 0.500000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 52.26000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 108 LIES ON A SPECIAL POSITION. 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 HIS A 89 -9.08 -142.58 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 222 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 100 OE1 REMARK 620 2 GLU A 100 OE2 43.3 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 221 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 222 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 223 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 224 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 225 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3EZM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF DOMAIN-SWAPPED CYANOVIRIN-N DIMER REMARK 900 RELATED ID: 1LOM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF A DOUBLE MUTANT OF CYANOVIRIN-N REMARK 900 RELATED ID: 2EZM RELATED DB: PDB REMARK 900 SOLUTION NMR STRUCTURE OF THE MONOMER CV-N DBREF 3LHC A 1 100 UNP P81180 CVN_NOSEL 1 101 SEQADV 3LHC ALA A 41 UNP P81180 GLU 41 ENGINEERED SEQADV 3LHC ALA A 42 UNP P81180 ASN 42 ENGINEERED SEQADV 3LHC A UNP P81180 GLN 50 DELETION SEQADV 3LHC ALA A 56 UNP P81180 THR 57 ENGINEERED SEQADV 3LHC ALA A 75 UNP P81180 ARG 76 ENGINEERED SEQADV 3LHC GLY A 77 UNP P81180 GLN 78 ENGINEERED SEQRES 1 A 100 LEU GLY LYS PHE SER GLN THR CYS TYR ASN SER ALA ILE SEQRES 2 A 100 GLN GLY SER VAL LEU THR SER THR CYS GLU ARG THR ASN SEQRES 3 A 100 GLY GLY TYR ASN THR SER SER ILE ASP LEU ASN SER VAL SEQRES 4 A 100 ILE ALA ALA VAL ASP GLY SER LEU LYS TRP PRO SER ASN SEQRES 5 A 100 PHE ILE GLU ALA CYS ARG ASN THR GLN LEU ALA GLY SER SEQRES 6 A 100 SER GLU LEU ALA ALA GLU CYS LYS THR ALA ALA GLY GLN SEQRES 7 A 100 PHE VAL SER THR LYS ILE ASN LEU ASP ASP HIS ILE ALA SEQRES 8 A 100 ASN ILE ASP GLY THR LEU LYS TYR GLU HET NA A 221 1 HET NA A 222 1 HET PO4 A 223 5 HET PO4 A 224 5 HET PO4 A 225 5 HETNAM NA SODIUM ION HETNAM PO4 PHOSPHATE ION FORMUL 2 NA 2(NA 1+) FORMUL 4 PO4 3(O4 P 3-) FORMUL 7 HOH *120(H2 O) HELIX 1 1 LYS A 3 GLN A 6 5 4 HELIX 2 2 ASN A 52 GLU A 55 5 4 SHEET 1 A 3 CYS A 8 GLN A 14 0 SHEET 2 A 3 VAL A 17 GLU A 23 -1 O THR A 19 N ALA A 12 SHEET 3 A 3 TYR A 29 ASP A 35 -1 O ASN A 30 N CYS A 22 SHEET 1 B 2 ALA A 41 VAL A 43 0 SHEET 2 B 2 SER A 46 LYS A 48 -1 O SER A 46 N VAL A 43 SHEET 1 C 3 CYS A 57 ALA A 63 0 SHEET 2 C 3 GLU A 67 LYS A 73 -1 O GLU A 67 N ALA A 63 SHEET 3 C 3 PHE A 79 ASN A 85 -1 O ILE A 84 N LEU A 68 SHEET 1 D 2 ILE A 90 ILE A 93 0 SHEET 2 D 2 THR A 96 TYR A 99 -1 O LYS A 98 N ALA A 91 SSBOND *** CYS A 8 CYS A 22 1555 1555 2.04 SSBOND *** CYS A 57 CYS A 72 1555 1555 2.02 LINK OE1 GLU A 100 NA NA A 222 1555 1555 2.80 LINK NA NA A 221 O HOH A 111 1555 1555 2.92 LINK OE2 GLU A 100 NA NA A 222 1555 1555 3.07 SITE *** AC1 5 GLU A 23 TYR A 29 ARG A 58 ASN A 59 SITE *** AC1 5 HOH A 111 SITE *** AC2 5 ALA A 70 SER A 81 THR A 82 GLU A 100 SITE *** AC2 5 HOH A 130 SITE *** AC3 6 LEU A 1 ASN A 59 GLN A 61 HOH A 155 SITE *** AC3 6 HOH A 197 HOH A 215 SITE *** AC4 6 GLN A 6 ASP A 35 ASN A 37 HOH A 184 SITE *** AC4 6 HOH A 198 HOH A 199 SITE *** AC5 8 TRP A 49 PRO A 50 SER A 51 GLU A 55 SITE *** AC5 8 HIS A 89 TYR A 99 HOH A 139 HOH A 195 CRYST1 47.140 47.140 78.390 90.00 90.00 120.00 P 32 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 0.021213 0.012248 0.000000 0.00000 SCALE2 0.000000 0.024495 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012757 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 74 THR OG1 : rot -80:sc= -0.0244 USER MOD Set 1.2: A 78 GLN :FLIP amide:sc= 0.618 F(o=-0.82,f=0.59) USER MOD Set 2.1: A 66 SER OG : rot 106:sc= 1.95 USER MOD Set 2.2: A 85 ASN : amide:sc= 1.07 K(o=3,f=-4.8!) USER MOD Set 3.1: A 46 SER OG : rot 16:sc= 0.216 USER MOD Set 3.2: A 48 LYS NZ :NH3+ -135:sc= 0.032 (180deg=0) USER MOD Set 4.1: A 21 THR OG1 : rot -76:sc= 3.2 USER MOD Set 4.2: A 31 THR OG1 : rot 67:sc= 1.76 USER MOD Set 5.1: A 19 THR OG1 : rot 92:sc= 1.87 USER MOD Set 5.2: A 33 SER OG A: rot -87:sc= 1.98 USER MOD Set 6.1: A 11 SER OG : rot 180:sc= 0.942 USER MOD Set 6.2: A 20 SER OG : rot 106:sc= 0.0714 USER MOD Single : A 1 LEU N :NH3+ -176:sc= 1.27 (180deg=1.24) USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0.595 (180deg=0.591) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.938 K(o=0.94,f=0.12) USER MOD Single : A 7 THR OG1 : rot 69:sc= 2.09 USER MOD Single : A 9 TYR OH : rot 142:sc= 1.26 USER MOD Single : A 10 ASN : amide:sc= 0.859 K(o=0.86,f=-0.27!) USER MOD Single : A 14 GLN : amide:sc= 0.219 K(o=0.22,f=-1.2) USER MOD Single : A 16 SER OG : rot 99:sc= 0.941 USER MOD Single : A 25 THR OG1 : rot -169:sc= 2.24 USER MOD Single : A 26 ASN A:FLIP amide:sc= -0.0316 F(o=-0.75,f=-0.032) USER MOD Single : A 26 ASN B:FLIP amide:sc= -1.6 F(o=-7.3!,f=-1.6) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.706 X(o=0.71,f=0.63) USER MOD Single : A 32 SER OG : rot -72:sc= 1.15 USER MOD Single : A 33 SER OG B: rot 180:sc= 0 USER MOD Single : A 37 ASN A: amide:sc= -0.061 K(o=-0.061,f=-0.78) USER MOD Single : A 37 ASN B: amide:sc= 0.299 K(o=0.3,f=-1.1) USER MOD Single : A 38 SER OG A: rot 180:sc= 0 USER MOD Single : A 38 SER OG B: rot -85:sc= 0.993 USER MOD Single : A 51 SER OG A: rot -161:sc= 2.23 USER MOD Single : A 51 SER OG B: rot -64:sc= 2.39 USER MOD Single : A 52 ASN A:FLIP amide:sc= 1.62 F(o=0.55!,f=1.6) USER MOD Single : A 52 ASN B: amide:sc= -0.129 X(o=-0.13,f=-0.45) USER MOD Single : A 59 ASN :FLIP amide:sc= 1.3 F(o=-0.55!,f=1.3) USER MOD Single : A 60 THR OG1 : rot -28:sc= 0.546 USER MOD Single : A 61 GLN : amide:sc= 1.04 X(o=1,f=1.5) USER MOD Single : A 65 SER OG : rot 136:sc= 0.809 USER MOD Single : A 72 CYS SG B: rot 79:sc= 1.88 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -106:sc= 2.33 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= 0.489 (180deg=0.452) USER MOD Single : A 89 HIS : no HE2:sc= 2.45 K(o=2.4,f=-7!) USER MOD Single : A 92 ASN : amide:sc= 0.144 K(o=0.14,f=-7.3!) USER MOD Single : A 96 THR OG1 : rot 63:sc= 0.682 USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= -0.105 (180deg=-0.356) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -10.626 17.721 6.853 1.00 14.67 N ATOM 2 CA LEU A 1 -10.752 18.666 7.960 1.00 11.00 C ATOM 3 C LEU A 1 -9.520 19.550 8.026 1.00 12.81 C ATOM 4 O LEU A 1 -8.464 19.197 7.497 1.00 14.69 O ATOM 5 CB LEU A 1 -10.920 17.923 9.292 1.00 12.75 C ATOM 6 CG LEU A 1 -12.118 16.982 9.433 1.00 13.24 C ATOM 7 CD1 LEU A 1 -12.087 16.289 10.786 1.00 15.72 C ATOM 8 CD2 LEU A 1 -13.433 17.708 9.243 1.00 14.39 C ATOM 0 H1 LEU A 1 -11.374 17.245 6.782 1.00 14.67 H new ATOM 0 H2 LEU A 1 -10.486 18.167 6.096 1.00 14.67 H new ATOM 0 H3 LEU A 1 -9.940 17.174 7.006 1.00 14.67 H new ATOM 0 HA LEU A 1 -11.538 19.213 7.807 1.00 11.00 H new ATOM 0 HB2 LEU A 1 -10.114 17.407 9.450 1.00 12.75 H new ATOM 0 HB3 LEU A 1 -10.975 18.585 9.999 1.00 12.75 H new ATOM 0 HG LEU A 1 -12.050 16.315 8.732 1.00 13.24 H new ATOM 0 HD11 LEU A 1 -12.851 15.696 10.864 1.00 15.72 H new ATOM 0 HD12 LEU A 1 -11.269 15.774 10.868 1.00 15.72 H new ATOM 0 HD13 LEU A 1 -12.122 16.954 11.491 1.00 15.72 H new ATOM 0 HD21 LEU A 1 -14.166 17.080 9.339 1.00 14.39 H new ATOM 0 HD22 LEU A 1 -13.516 18.407 9.910 1.00 14.39 H new ATOM 0 HD23 LEU A 1 -13.460 18.102 8.357 1.00 14.39 H new ATOM 9 N GLY A 2 -9.660 20.703 8.669 1.00 12.28 N ATOM 10 CA GLY A 2 -8.519 21.537 8.998 1.00 11.34 C ATOM 11 C GLY A 2 -7.986 22.372 7.851 1.00 11.14 C ATOM 12 O GLY A 2 -8.730 23.123 7.225 1.00 11.48 O ATOM 0 H GLY A 2 -10.417 21.021 8.925 1.00 12.28 H new ATOM 0 HA2 GLY A 2 -8.767 22.130 9.724 1.00 11.34 H new ATOM 0 HA3 GLY A 2 -7.804 20.969 9.327 1.00 11.34 H new ATOM 13 N LYS A 3 -6.675 22.268 7.621 1.00 10.28 N ATOM 14 CA LYS A 3 -5.999 22.914 6.497 1.00 10.13 C ATOM 15 C LYS A 3 -5.863 24.428 6.570 1.00 9.44 C ATOM 16 O LYS A 3 -5.630 25.075 5.538 1.00 10.65 O ATOM 17 CB LYS A 3 -6.650 22.533 5.162 1.00 12.58 C ATOM 18 CG LYS A 3 -6.849 21.047 4.973 1.00 14.48 C ATOM 19 CD LYS A 3 -7.508 20.787 3.620 1.00 17.63 C ATOM 20 CE LYS A 3 -7.677 19.316 3.365 1.00 20.70 C ATOM 21 NZ LYS A 3 -8.293 19.090 2.020 1.00 20.87 N ATOM 0 H LYS A 3 -6.146 21.812 8.123 1.00 10.28 H new ATOM 0 HA LYS A 3 -5.095 22.569 6.558 1.00 10.13 H new ATOM 0 HB2 LYS A 3 -7.511 22.976 5.095 1.00 12.58 H new ATOM 0 HB3 LYS A 3 -6.100 22.870 4.437 1.00 12.58 H new ATOM 0 HG2 LYS A 3 -5.996 20.588 5.021 1.00 14.48 H new ATOM 0 HG3 LYS A 3 -7.402 20.692 5.686 1.00 14.48 H new ATOM 0 HD2 LYS A 3 -8.374 21.223 3.591 1.00 17.63 H new ATOM 0 HD3 LYS A 3 -6.969 21.179 2.915 1.00 17.63 H new ATOM 0 HE2 LYS A 3 -6.816 18.872 3.412 1.00 20.70 H new ATOM 0 HE3 LYS A 3 -8.236 18.924 4.054 1.00 20.70 H new ATOM 0 HZ1 LYS A 3 -8.348 18.216 1.862 1.00 20.87 H new ATOM 0 HZ2 LYS A 3 -9.108 19.446 2.003 1.00 20.87 H new ATOM 0 HZ3 LYS A 3 -7.789 19.473 1.394 1.00 20.87 H new ATOM 22 N PHE A 4 -5.947 24.997 7.773 1.00 9.63 N ATOM 23 CA PHE A 4 -5.878 26.458 7.907 1.00 10.67 C ATOM 24 C PHE A 4 -4.629 27.054 7.242 1.00 9.41 C ATOM 25 O PHE A 4 -4.677 28.146 6.684 1.00 11.01 O ATOM 26 CB PHE A 4 -5.931 26.909 9.381 1.00 9.63 C ATOM 27 CG PHE A 4 -4.604 26.813 10.082 1.00 9.56 C ATOM 28 CD1 PHE A 4 -4.127 25.587 10.517 1.00 11.95 C ATOM 29 CD2 PHE A 4 -3.809 27.934 10.234 1.00 10.04 C ATOM 30 CE1 PHE A 4 -2.898 25.485 11.127 1.00 11.23 C ATOM 31 CE2 PHE A 4 -2.565 27.847 10.843 1.00 11.04 C ATOM 32 CZ PHE A 4 -2.112 26.626 11.302 1.00 11.06 C ATOM 0 H PHE A 4 -6.042 24.567 8.512 1.00 9.63 H new ATOM 0 HA PHE A 4 -6.662 26.794 7.445 1.00 10.67 H new ATOM 0 HB2 PHE A 4 -6.245 27.826 9.421 1.00 9.63 H new ATOM 0 HB3 PHE A 4 -6.580 26.366 9.855 1.00 9.63 H new ATOM 0 HD1 PHE A 4 -4.644 24.824 10.395 1.00 11.95 H new ATOM 0 HD2 PHE A 4 -4.112 28.757 9.924 1.00 10.04 H new ATOM 0 HE1 PHE A 4 -2.591 24.658 11.422 1.00 11.23 H new ATOM 0 HE2 PHE A 4 -2.039 28.608 10.942 1.00 11.04 H new ATOM 0 HZ PHE A 4 -1.287 26.564 11.726 1.00 11.06 H new ATOM 33 N SER A 5 -3.507 26.339 7.315 1.00 9.56 N ATOM 34 CA SER A 5 -2.235 26.950 6.926 1.00 10.44 C ATOM 35 C SER A 5 -2.202 27.319 5.445 1.00 10.92 C ATOM 36 O SER A 5 -1.438 28.197 5.042 1.00 12.40 O ATOM 37 CB SER A 5 -1.051 26.046 7.286 1.00 12.06 C ATOM 38 OG SER A 5 -1.003 24.927 6.425 1.00 14.43 O ATOM 0 H SER A 5 -3.459 25.522 7.579 1.00 9.56 H new ATOM 0 HA SER A 5 -2.154 27.774 7.431 1.00 10.44 H new ATOM 0 HB2 SER A 5 -0.223 26.547 7.221 1.00 12.06 H new ATOM 0 HB3 SER A 5 -1.131 25.750 8.206 1.00 12.06 H new ATOM 0 HG SER A 5 -0.350 24.442 6.632 1.00 14.43 H new ATOM 39 N GLN A 6 -3.046 26.683 4.637 1.00 9.81 N ATOM 40 CA GLN A 6 -3.035 26.962 3.205 1.00 10.17 C ATOM 41 C GLN A 6 -3.490 28.372 2.855 1.00 11.08 C ATOM 42 O GLN A 6 -3.110 28.909 1.803 1.00 12.32 O ATOM 43 CB GLN A 6 -3.858 25.917 2.447 1.00 12.11 C ATOM 44 CG GLN A 6 -3.133 24.592 2.347 1.00 13.47 C ATOM 45 CD GLN A 6 -1.917 24.666 1.443 1.00 14.77 C ATOM 46 OE1 GLN A 6 -2.008 25.145 0.309 1.00 12.50 O ATOM 47 NE2 GLN A 6 -0.774 24.199 1.935 1.00 17.63 N ATOM 0 H GLN A 6 -3.622 26.098 4.892 1.00 9.81 H new ATOM 0 HA GLN A 6 -2.109 26.904 2.923 1.00 10.17 H new ATOM 0 HB2 GLN A 6 -4.708 25.787 2.896 1.00 12.11 H new ATOM 0 HB3 GLN A 6 -4.055 26.245 1.556 1.00 12.11 H new ATOM 0 HG2 GLN A 6 -2.858 24.309 3.233 1.00 13.47 H new ATOM 0 HG3 GLN A 6 -3.743 23.917 2.010 1.00 13.47 H new ATOM 0 HE21 GLN A 6 -0.750 23.872 2.730 1.00 17.63 H new ATOM 0 HE22 GLN A 6 -0.059 24.223 1.458 1.00 17.63 H new ATOM 48 N THR A 7 -4.306 28.981 3.713 1.00 9.99 N ATOM 49 CA THR A 7 -4.812 30.328 3.410 1.00 10.84 C ATOM 50 C THR A 7 -4.698 31.289 4.588 1.00 11.02 C ATOM 51 O THR A 7 -5.503 32.226 4.739 1.00 11.93 O ATOM 52 CB THR A 7 -6.257 30.307 2.887 1.00 12.76 C ATOM 53 OG1 THR A 7 -7.096 29.658 3.843 1.00 14.09 O ATOM 54 CG2 THR A 7 -6.331 29.554 1.543 1.00 15.61 C ATOM 0 H THR A 7 -4.575 28.646 4.458 1.00 9.99 H new ATOM 0 HA THR A 7 -4.235 30.659 2.704 1.00 10.84 H new ATOM 0 HB THR A 7 -6.556 31.220 2.751 1.00 12.76 H new ATOM 0 HG1 THR A 7 -7.165 30.140 4.528 1.00 14.09 H new ATOM 0 HG21 THR A 7 -7.247 29.548 1.225 1.00 15.61 H new ATOM 0 HG22 THR A 7 -5.766 29.998 0.892 1.00 15.61 H new ATOM 0 HG23 THR A 7 -6.026 28.641 1.666 1.00 15.61 H new ATOM 55 N CYS A 8 -3.668 31.059 5.393 1.00 11.11 N ATOM 56 CA CYS A 8 -3.346 31.919 6.525 1.00 11.04 C ATOM 57 C CYS A 8 -1.849 32.223 6.478 1.00 11.24 C ATOM 58 O CYS A 8 -1.084 31.517 5.816 1.00 12.87 O ATOM 59 CB CYS A 8 -3.702 31.231 7.850 1.00 13.32 C ATOM 60 SG CYS A 8 -5.450 30.787 8.068 1.00 12.30 S ATOM 0 H CYS A 8 -3.131 30.394 5.297 1.00 11.11 H new ATOM 0 HA CYS A 8 -3.861 32.739 6.470 1.00 11.04 H new ATOM 0 HB2 CYS A 8 -3.169 30.424 7.929 1.00 13.32 H new ATOM 0 HB3 CYS A 8 -3.441 31.816 8.579 1.00 13.32 H new ATOM 61 N TYR A 9 -1.428 33.265 7.193 1.00 13.34 N ATOM 62 CA TYR A 9 -0.009 33.595 7.292 1.00 13.06 C ATOM 63 C TYR A 9 0.243 34.278 8.621 1.00 12.47 C ATOM 64 O TYR A 9 -0.687 34.575 9.361 1.00 12.31 O ATOM 65 CB TYR A 9 0.449 34.489 6.128 1.00 15.33 C ATOM 66 CG TYR A 9 -0.020 35.926 6.202 1.00 12.16 C ATOM 67 CD1 TYR A 9 -1.298 36.283 5.784 1.00 12.93 C ATOM 68 CD2 TYR A 9 0.818 36.933 6.685 1.00 14.97 C ATOM 69 CE1 TYR A 9 -1.732 37.591 5.834 1.00 14.42 C ATOM 70 CE2 TYR A 9 0.392 38.255 6.736 1.00 16.12 C ATOM 71 CZ TYR A 9 -0.885 38.574 6.307 1.00 13.48 C ATOM 72 OH TYR A 9 -1.336 39.865 6.347 1.00 17.68 O ATOM 0 H TYR A 9 -1.949 33.793 7.628 1.00 13.34 H new ATOM 0 HA TYR A 9 0.507 32.775 7.239 1.00 13.06 H new ATOM 0 HB2 TYR A 9 1.418 34.481 6.094 1.00 15.33 H new ATOM 0 HB3 TYR A 9 0.132 34.102 5.297 1.00 15.33 H new ATOM 0 HD1 TYR A 9 -1.872 35.625 5.464 1.00 12.93 H new ATOM 0 HD2 TYR A 9 1.674 36.716 6.977 1.00 14.97 H new ATOM 0 HE1 TYR A 9 -2.590 37.810 5.551 1.00 14.42 H new ATOM 0 HE2 TYR A 9 0.959 38.919 7.055 1.00 16.12 H new ATOM 0 HH TYR A 9 -1.052 40.240 7.043 1.00 17.68 H new ATOM 73 N ASN A 10 1.513 34.536 8.908 1.00 13.40 N ATOM 74 CA ASN A 10 1.888 35.148 10.175 1.00 15.87 C ATOM 75 C ASN A 10 1.396 34.314 11.356 1.00 12.23 C ATOM 76 O ASN A 10 0.986 34.848 12.383 1.00 13.66 O ATOM 77 CB ASN A 10 1.351 36.583 10.276 1.00 16.43 C ATOM 78 CG ASN A 10 2.335 37.624 9.763 1.00 16.85 C ATOM 79 OD1 ASN A 10 3.405 37.292 9.270 1.00 18.58 O ATOM 80 ND2 ASN A 10 1.963 38.892 9.890 1.00 19.55 N ATOM 0 H ASN A 10 2.172 34.364 8.383 1.00 13.40 H new ATOM 0 HA ASN A 10 2.857 35.181 10.207 1.00 15.87 H new ATOM 0 HB2 ASN A 10 0.525 36.650 9.772 1.00 16.43 H new ATOM 0 HB3 ASN A 10 1.135 36.778 11.201 1.00 16.43 H new ATOM 0 HD21 ASN A 10 2.483 39.522 9.620 1.00 19.55 H new ATOM 0 HD22 ASN A 10 1.202 39.084 10.242 1.00 19.55 H new ATOM 81 N SER A 11 1.447 32.997 11.207 1.00 11.45 N ATOM 82 CA SER A 11 1.032 32.116 12.292 1.00 11.62 C ATOM 83 C SER A 11 2.053 32.113 13.405 1.00 13.05 C ATOM 84 O SER A 11 3.251 32.250 13.167 1.00 13.20 O ATOM 85 CB SER A 11 0.830 30.687 11.787 1.00 11.45 C ATOM 86 OG SER A 11 -0.187 30.656 10.804 1.00 11.77 O ATOM 0 H SER A 11 1.715 32.596 10.495 1.00 11.45 H new ATOM 0 HA SER A 11 0.190 32.454 12.635 1.00 11.62 H new ATOM 0 HB2 SER A 11 1.659 30.348 11.415 1.00 11.45 H new ATOM 0 HB3 SER A 11 0.592 30.106 12.526 1.00 11.45 H new ATOM 0 HG SER A 11 -0.290 29.868 10.532 1.00 11.77 H new ATOM 87 N ALA A 12 1.567 31.942 14.627 1.00 11.26 N ATOM 88 CA ALA A 12 2.434 31.868 15.784 1.00 12.53 C ATOM 89 C ALA A 12 1.779 31.022 16.864 1.00 11.76 C ATOM 90 O ALA A 12 0.545 30.990 16.995 1.00 11.54 O ATOM 91 CB ALA A 12 2.743 33.288 16.310 1.00 14.28 C ATOM 0 H ALA A 12 0.729 31.866 14.805 1.00 11.26 H new ATOM 0 HA ALA A 12 3.272 31.451 15.530 1.00 12.53 H new ATOM 0 HB1 ALA A 12 3.324 33.227 17.084 1.00 14.28 H new ATOM 0 HB2 ALA A 12 3.184 33.802 15.615 1.00 14.28 H new ATOM 0 HB3 ALA A 12 1.915 33.728 16.561 1.00 14.28 H new ATOM 92 N ILE A 13 2.621 30.332 17.621 1.00 12.05 N ATOM 93 CA ILE A 13 2.210 29.627 18.832 1.00 12.72 C ATOM 94 C ILE A 13 2.876 30.272 20.044 1.00 12.57 C ATOM 95 O ILE A 13 4.087 30.480 20.058 1.00 14.37 O ATOM 96 CB ILE A 13 2.608 28.148 18.760 1.00 14.20 C ATOM 97 CG1 ILE A 13 1.755 27.431 17.701 1.00 14.60 C ATOM 98 CG2 ILE A 13 2.490 27.484 20.131 1.00 16.60 C ATOM 99 CD1 ILE A 13 2.110 25.982 17.481 1.00 23.45 C ATOM 0 H ILE A 13 3.460 30.258 17.445 1.00 12.05 H new ATOM 0 HA ILE A 13 1.245 29.685 18.913 1.00 12.72 H new ATOM 0 HB ILE A 13 3.538 28.082 18.494 1.00 14.20 H new ATOM 0 HG12 ILE A 13 0.823 27.487 17.963 1.00 14.60 H new ATOM 0 HG13 ILE A 13 1.842 27.904 16.859 1.00 14.60 H new ATOM 0 HG21 ILE A 13 2.746 26.551 20.062 1.00 16.60 H new ATOM 0 HG22 ILE A 13 3.075 27.934 20.760 1.00 16.60 H new ATOM 0 HG23 ILE A 13 1.573 27.545 20.443 1.00 16.60 H new ATOM 0 HD11 ILE A 13 1.529 25.606 16.802 1.00 23.45 H new ATOM 0 HD12 ILE A 13 3.033 25.915 17.189 1.00 23.45 H new ATOM 0 HD13 ILE A 13 1.997 25.492 18.310 1.00 23.45 H new ATOM 100 N GLN A 14 2.077 30.606 21.052 1.00 10.69 N ATOM 101 CA GLN A 14 2.615 31.019 22.343 1.00 12.42 C ATOM 102 C GLN A 14 1.838 30.264 23.396 1.00 13.09 C ATOM 103 O GLN A 14 0.612 30.370 23.469 1.00 11.82 O ATOM 104 CB GLN A 14 2.490 32.531 22.545 1.00 18.09 C ATOM 105 CG GLN A 14 3.359 33.070 23.688 1.00 23.49 C ATOM 106 CD GLN A 14 4.854 32.973 23.398 1.00 24.36 C ATOM 107 OE1 GLN A 14 5.272 32.710 22.266 1.00 30.09 O ATOM 108 NE2 GLN A 14 5.669 33.192 24.424 1.00 27.20 N ATOM 0 H GLN A 14 1.218 30.600 21.008 1.00 10.69 H new ATOM 0 HA GLN A 14 3.562 30.818 22.398 1.00 12.42 H new ATOM 0 HB2 GLN A 14 2.736 32.981 21.722 1.00 18.09 H new ATOM 0 HB3 GLN A 14 1.562 32.751 22.723 1.00 18.09 H new ATOM 0 HG2 GLN A 14 3.127 33.997 23.855 1.00 23.49 H new ATOM 0 HG3 GLN A 14 3.159 32.577 24.499 1.00 23.49 H new ATOM 0 HE21 GLN A 14 5.345 33.373 25.200 1.00 27.20 H new ATOM 0 HE22 GLN A 14 6.521 33.153 24.312 1.00 27.20 H new ATOM 109 N GLY A 15 2.545 29.463 24.185 1.00 10.45 N ATOM 110 CA GLY A 15 1.894 28.602 25.153 1.00 11.74 C ATOM 111 C GLY A 15 0.966 27.647 24.425 1.00 10.15 C ATOM 112 O GLY A 15 1.407 26.896 23.559 1.00 11.55 O ATOM 0 H GLY A 15 3.403 29.406 24.173 1.00 10.45 H new ATOM 0 HA2 GLY A 15 2.557 28.105 25.657 1.00 11.74 H new ATOM 0 HA3 GLY A 15 1.393 29.134 25.791 1.00 11.74 H new ATOM 113 N SER A 16 -0.319 27.685 24.770 1.00 11.34 N ATOM 114 CA SER A 16 -1.314 26.815 24.150 1.00 12.84 C ATOM 115 C SER A 16 -2.118 27.491 23.050 1.00 10.79 C ATOM 116 O SER A 16 -3.048 26.884 22.511 1.00 11.96 O ATOM 117 CB SER A 16 -2.279 26.278 25.208 1.00 13.68 C ATOM 118 OG SER A 16 -2.923 27.330 25.906 1.00 12.88 O ATOM 0 H SER A 16 -0.637 28.214 25.368 1.00 11.34 H new ATOM 0 HA SER A 16 -0.813 26.093 23.738 1.00 12.84 H new ATOM 0 HB2 SER A 16 -2.945 25.714 24.784 1.00 13.68 H new ATOM 0 HB3 SER A 16 -1.794 25.720 25.836 1.00 13.68 H new ATOM 0 HG SER A 16 -3.690 27.451 25.585 1.00 12.88 H new ATOM 119 N VAL A 17 -1.746 28.718 22.694 1.00 9.80 N ATOM 120 CA VAL A 17 -2.566 29.533 21.794 1.00 12.15 C ATOM 121 C VAL A 17 -1.934 29.687 20.418 1.00 10.21 C ATOM 122 O VAL A 17 -0.775 30.106 20.291 1.00 11.85 O ATOM 123 CB VAL A 17 -2.843 30.928 22.404 1.00 12.52 C ATOM 124 CG1 VAL A 17 -3.685 31.778 21.457 1.00 13.40 C ATOM 125 CG2 VAL A 17 -3.546 30.794 23.738 1.00 13.49 C ATOM 0 H VAL A 17 -1.023 29.099 22.961 1.00 9.80 H new ATOM 0 HA VAL A 17 -3.407 29.062 21.684 1.00 12.15 H new ATOM 0 HB VAL A 17 -1.990 31.369 22.540 1.00 12.52 H new ATOM 0 HG11 VAL A 17 -3.846 32.646 21.858 1.00 13.40 H new ATOM 0 HG12 VAL A 17 -3.212 31.893 20.618 1.00 13.40 H new ATOM 0 HG13 VAL A 17 -4.533 31.336 21.292 1.00 13.40 H new ATOM 0 HG21 VAL A 17 -3.712 31.676 24.106 1.00 13.49 H new ATOM 0 HG22 VAL A 17 -4.390 30.331 23.614 1.00 13.49 H new ATOM 0 HG23 VAL A 17 -2.987 30.289 24.349 1.00 13.49 H new ATOM 126 N LEU A 18 -2.714 29.330 19.399 1.00 9.34 N ATOM 127 CA LEU A 18 -2.355 29.563 18.000 1.00 10.53 C ATOM 128 C LEU A 18 -2.995 30.860 17.520 1.00 10.28 C ATOM 129 O LEU A 18 -4.189 31.061 17.701 1.00 10.01 O ATOM 130 CB LEU A 18 -2.854 28.410 17.132 1.00 11.68 C ATOM 131 CG LEU A 18 -2.784 28.611 15.616 1.00 9.83 C ATOM 132 CD1 LEU A 18 -1.333 28.618 15.118 1.00 11.37 C ATOM 133 CD2 LEU A 18 -3.601 27.551 14.903 1.00 11.94 C ATOM 0 H LEU A 18 -3.474 28.942 19.501 1.00 9.34 H new ATOM 0 HA LEU A 18 -1.390 29.625 17.929 1.00 10.53 H new ATOM 0 HB2 LEU A 18 -2.341 27.618 17.356 1.00 11.68 H new ATOM 0 HB3 LEU A 18 -3.776 28.228 17.371 1.00 11.68 H new ATOM 0 HG LEU A 18 -3.164 29.479 15.410 1.00 9.83 H new ATOM 0 HD11 LEU A 18 -1.321 28.747 14.157 1.00 11.37 H new ATOM 0 HD12 LEU A 18 -0.847 29.340 15.546 1.00 11.37 H new ATOM 0 HD13 LEU A 18 -0.912 27.772 15.336 1.00 11.37 H new ATOM 0 HD21 LEU A 18 -3.547 27.691 13.945 1.00 11.94 H new ATOM 0 HD22 LEU A 18 -3.252 26.672 15.121 1.00 11.94 H new ATOM 0 HD23 LEU A 18 -4.527 27.611 15.187 1.00 11.94 H new ATOM 134 N THR A 19 -2.202 31.734 16.910 1.00 10.78 N ATOM 135 CA THR A 19 -2.720 32.960 16.321 1.00 10.24 C ATOM 136 C THR A 19 -2.333 32.965 14.851 1.00 9.91 C ATOM 137 O THR A 19 -1.227 32.544 14.501 1.00 11.43 O ATOM 138 CB THR A 19 -2.114 34.197 17.023 1.00 11.62 C ATOM 139 OG1 THR A 19 -2.464 34.161 18.412 1.00 12.93 O ATOM 140 CG2 THR A 19 -2.631 35.488 16.405 1.00 12.76 C ATOM 0 H THR A 19 -1.352 31.633 16.827 1.00 10.78 H new ATOM 0 HA THR A 19 -3.684 32.997 16.425 1.00 10.24 H new ATOM 0 HB THR A 19 -1.150 34.174 16.915 1.00 11.62 H new ATOM 0 HG1 THR A 19 -1.862 33.764 18.843 1.00 12.93 H new ATOM 0 HG21 THR A 19 -2.236 36.247 16.863 1.00 12.76 H new ATOM 0 HG22 THR A 19 -2.390 35.516 15.466 1.00 12.76 H new ATOM 0 HG23 THR A 19 -3.596 35.525 16.492 1.00 12.76 H new ATOM 141 N SER A 20 -3.245 33.414 13.989 1.00 11.02 N ATOM 142 CA SER A 20 -2.934 33.476 12.563 1.00 10.50 C ATOM 143 C SER A 20 -3.793 34.512 11.862 1.00 9.62 C ATOM 144 O SER A 20 -4.847 34.898 12.363 1.00 10.89 O ATOM 145 CB SER A 20 -3.109 32.104 11.897 1.00 11.49 C ATOM 146 OG SER A 20 -2.488 32.100 10.628 1.00 12.28 O ATOM 0 H SER A 20 -4.033 33.682 14.204 1.00 11.02 H new ATOM 0 HA SER A 20 -2.004 33.740 12.479 1.00 10.50 H new ATOM 0 HB2 SER A 20 -2.722 31.413 12.457 1.00 11.49 H new ATOM 0 HB3 SER A 20 -4.053 31.899 11.804 1.00 11.49 H new ATOM 0 HG SER A 20 -1.774 31.659 10.666 1.00 12.28 H new ATOM 147 N THR A 21 -3.324 34.944 10.694 1.00 10.42 N ATOM 148 CA THR A 21 -4.037 35.937 9.896 1.00 11.38 C ATOM 149 C THR A 21 -4.520 35.224 8.635 1.00 10.70 C ATOM 150 O THR A 21 -3.716 34.730 7.844 1.00 12.06 O ATOM 151 CB THR A 21 -3.121 37.119 9.562 1.00 11.32 C ATOM 152 OG1 THR A 21 -2.693 37.725 10.790 1.00 12.39 O ATOM 153 CG2 THR A 21 -3.843 38.168 8.712 1.00 14.54 C ATOM 0 H THR A 21 -2.587 34.671 10.344 1.00 10.42 H new ATOM 0 HA THR A 21 -4.791 36.305 10.383 1.00 11.38 H new ATOM 0 HB THR A 21 -2.364 36.789 9.053 1.00 11.32 H new ATOM 0 HG1 THR A 21 -3.322 38.179 11.113 1.00 12.39 H new ATOM 0 HG21 THR A 21 -3.237 38.901 8.519 1.00 14.54 H new ATOM 0 HG22 THR A 21 -4.137 37.764 7.881 1.00 14.54 H new ATOM 0 HG23 THR A 21 -4.612 38.505 9.198 1.00 14.54 H new ATOM 154 N CYS A 22 -5.839 35.149 8.485 1.00 11.11 N ATOM 155 CA CYS A 22 -6.437 34.238 7.512 1.00 11.38 C ATOM 156 C CYS A 22 -7.325 34.938 6.495 1.00 13.96 C ATOM 157 O CYS A 22 -8.002 35.915 6.815 1.00 13.19 O ATOM 158 CB CYS A 22 -7.268 33.192 8.244 1.00 12.70 C ATOM 159 SG CYS A 22 -6.327 32.108 9.344 1.00 13.03 S ATOM 0 H CYS A 22 -6.404 35.615 8.935 1.00 11.11 H new ATOM 0 HA CYS A 22 -5.703 33.833 7.025 1.00 11.38 H new ATOM 0 HB2 CYS A 22 -7.950 33.645 8.764 1.00 12.70 H new ATOM 0 HB3 CYS A 22 -7.728 32.645 7.588 1.00 12.70 H new ATOM 160 N GLU A 23 -7.345 34.402 5.281 1.00 12.00 N ATOM 161 CA GLU A 23 -8.114 34.997 4.186 1.00 11.48 C ATOM 162 C GLU A 23 -9.600 34.808 4.388 1.00 13.61 C ATOM 163 O GLU A 23 -10.060 33.705 4.734 1.00 14.10 O ATOM 164 CB GLU A 23 -7.751 34.302 2.882 1.00 15.03 C ATOM 165 CG GLU A 23 -6.356 34.543 2.403 1.00 23.20 C ATOM 166 CD GLU A 23 -6.072 33.840 1.098 1.00 32.71 C ATOM 167 OE1 GLU A 23 -6.991 33.184 0.553 1.00 23.97 O ATOM 168 OE2 GLU A 23 -4.927 33.950 0.614 1.00 33.84 O ATOM 0 H GLU A 23 -6.917 33.688 5.066 1.00 12.00 H new ATOM 0 HA GLU A 23 -7.904 35.944 4.163 1.00 11.48 H new ATOM 0 HB2 GLU A 23 -7.879 33.347 2.994 1.00 15.03 H new ATOM 0 HB3 GLU A 23 -8.369 34.593 2.194 1.00 15.03 H new ATOM 0 HG2 GLU A 23 -6.214 35.496 2.293 1.00 23.20 H new ATOM 0 HG3 GLU A 23 -5.727 34.238 3.076 1.00 23.20 H new ATOM 169 N ARG A 24 -10.355 35.875 4.151 1.00 14.98 N ATOM 170 CA ARG A 24 -11.805 35.794 4.157 1.00 14.70 C ATOM 171 C ARG A 24 -12.286 35.479 2.751 1.00 14.79 C ATOM 172 O ARG A 24 -11.572 35.716 1.770 1.00 16.61 O ATOM 173 CB ARG A 24 -12.413 37.117 4.619 1.00 16.27 C ATOM 174 CG ARG A 24 -11.910 37.586 5.958 1.00 16.77 C ATOM 175 CD ARG A 24 -12.920 38.526 6.575 1.00 28.32 C ATOM 176 NE ARG A 24 -14.125 37.792 6.946 1.00 29.89 N ATOM 177 CZ ARG A 24 -15.341 38.319 6.993 1.00 41.68 C ATOM 178 NH1 ARG A 24 -15.528 39.595 6.682 1.00 46.61 N ATOM 179 NH2 ARG A 24 -16.372 37.563 7.343 1.00 41.22 N ATOM 0 H ARG A 24 -10.042 36.659 3.984 1.00 14.98 H new ATOM 0 HA ARG A 24 -12.082 35.096 4.770 1.00 14.70 H new ATOM 0 HB2 ARG A 24 -12.224 37.799 3.956 1.00 16.27 H new ATOM 0 HB3 ARG A 24 -13.377 37.022 4.661 1.00 16.27 H new ATOM 0 HG2 ARG A 24 -11.761 36.826 6.543 1.00 16.77 H new ATOM 0 HG3 ARG A 24 -11.057 38.035 5.854 1.00 16.77 H new ATOM 0 HD2 ARG A 24 -12.539 38.953 7.358 1.00 28.32 H new ATOM 0 HD3 ARG A 24 -13.142 39.231 5.947 1.00 28.32 H new ATOM 0 HE ARG A 24 -14.041 36.960 7.148 1.00 29.89 H new ATOM 0 HH11 ARG A 24 -14.859 40.083 6.449 1.00 46.61 H new ATOM 0 HH12 ARG A 24 -16.318 39.934 6.713 1.00 46.61 H new ATOM 0 HH21 ARG A 24 -16.251 36.734 7.538 1.00 41.22 H new ATOM 0 HH22 ARG A 24 -17.162 37.901 7.375 1.00 41.22 H new ATOM 180 N THR A 25 -13.505 34.964 2.651 1.00 15.62 N ATOM 181 CA THR A 25 -14.096 34.687 1.350 1.00 18.96 C ATOM 182 C THR A 25 -14.062 35.896 0.410 1.00 19.94 C ATOM 183 O THR A 25 -13.723 35.765 -0.765 1.00 24.15 O ATOM 184 CB THR A 25 -15.537 34.206 1.500 1.00 22.13 C ATOM 185 OG1 THR A 25 -15.550 32.996 2.265 1.00 23.54 O ATOM 186 CG2 THR A 25 -16.158 33.953 0.133 1.00 22.71 C ATOM 0 H THR A 25 -14.005 34.768 3.323 1.00 15.62 H new ATOM 0 HA THR A 25 -13.554 33.988 0.952 1.00 18.96 H new ATOM 0 HB THR A 25 -16.055 34.890 1.953 1.00 22.13 H new ATOM 0 HG1 THR A 25 -16.313 32.647 2.225 1.00 23.54 H new ATOM 0 HG21 THR A 25 -17.072 33.648 0.244 1.00 22.71 H new ATOM 0 HG22 THR A 25 -16.152 34.775 -0.383 1.00 22.71 H new ATOM 0 HG23 THR A 25 -15.646 33.275 -0.335 1.00 22.71 H new ATOM 187 N AASN A 26 -14.416 37.069 0.912 0.49 23.56 N ATOM 188 N BASN A 26 -14.383 37.070 0.950 0.51 23.53 N ATOM 189 CA AASN A 26 -14.497 38.232 0.035 0.49 26.93 C ATOM 190 CA BASN A 26 -14.512 38.292 0.155 0.51 26.98 C ATOM 191 C AASN A 26 -13.209 39.049 -0.016 0.49 27.43 C ATOM 192 C BASN A 26 -13.190 38.962 -0.216 0.51 27.11 C ATOM 193 O AASN A 26 -13.231 40.252 -0.283 0.49 27.81 O ATOM 194 O BASN A 26 -13.172 39.984 -0.898 0.51 24.69 O ATOM 195 CB AASN A 26 -15.707 39.093 0.394 0.49 29.24 C ATOM 196 CB BASN A 26 -15.420 39.300 0.873 0.51 30.20 C ATOM 197 CG AASN A 26 -17.020 38.375 0.144 0.49 31.22 C ATOM 198 CG BASN A 26 -14.812 39.833 2.169 0.51 31.82 C ATOM 199 OD1AASN A 26 -17.083 37.620 -0.949 0.49 35.90 O flip ATOM 200 OD1BASN A 26 -13.663 39.299 2.554 0.51 35.91 O flip ATOM 201 ND2AASN A 26 -17.964 38.487 0.928 0.49 24.91 N flip ATOM 202 ND2BASN A 26 -15.379 40.716 2.812 0.51 26.60 N flip ATOM 0 H AASN A 26 -14.610 37.215 1.737 0.49 23.53 H new ATOM 0 H BASN A 26 -14.533 37.181 1.790 0.51 23.53 H new ATOM 0 HA AASN A 26 -14.618 37.893 -0.866 0.49 26.98 H new ATOM 0 HA BASN A 26 -14.907 38.008 -0.684 0.51 26.98 H new ATOM 0 HB2AASN A 26 -15.653 39.349 1.328 0.49 30.20 H new ATOM 0 HB2BASN A 26 -15.603 40.044 0.278 0.51 30.20 H new ATOM 0 HB3AASN A 26 -15.684 39.912 -0.126 0.49 30.20 H new ATOM 0 HB3BASN A 26 -16.271 38.878 1.070 0.51 30.20 H new ATOM 0 HD21AASN A 26 -17.887 38.985 1.625 0.49 26.60 H new ATOM 0 HD21BASN A 26 -16.125 41.040 2.532 0.51 26.60 H new ATOM 0 HD22AASN A 26 -18.700 38.068 0.778 0.49 26.60 H new ATOM 0 HD22BASN A 26 -15.029 41.009 3.541 0.51 26.60 H new ATOM 203 N GLY A 27 -12.087 38.382 0.233 1.00 26.22 N ATOM 204 CA GLY A 27 -10.792 39.010 0.093 1.00 29.66 C ATOM 205 C GLY A 27 -10.450 39.701 1.393 1.00 21.83 C ATOM 206 O GLY A 27 -11.309 39.905 2.248 1.00 28.77 O ATOM 0 H AGLY A 27 -12.060 37.560 0.485 0.49 26.22 H new ATOM 0 H BGLY A 27 -12.071 37.617 0.625 0.51 26.22 H new ATOM 0 HA2 GLY A 27 -10.118 38.347 -0.124 1.00 29.66 H new ATOM 0 HA3 GLY A 27 -10.805 39.650 -0.636 1.00 29.66 H new ATOM 207 N GLY A 28 -9.191 40.066 1.552 1.00 30.16 N ATOM 208 CA GLY A 28 -8.775 40.637 2.810 1.00 22.66 C ATOM 209 C GLY A 28 -8.712 39.572 3.886 1.00 16.81 C ATOM 210 O GLY A 28 -9.014 38.394 3.660 1.00 17.91 O ATOM 0 H GLY A 28 -8.575 39.993 0.956 1.00 30.16 H new ATOM 0 HA2 GLY A 28 -7.905 41.054 2.709 1.00 22.66 H new ATOM 0 HA3 GLY A 28 -9.395 41.335 3.075 1.00 22.66 H new ATOM 211 N TYR A 29 -8.328 40.003 5.074 1.00 15.43 N ATOM 212 CA TYR A 29 -7.861 39.083 6.084 1.00 15.65 C ATOM 213 C TYR A 29 -8.446 39.423 7.427 1.00 16.78 C ATOM 214 O TYR A 29 -8.910 40.543 7.658 1.00 19.43 O ATOM 215 CB TYR A 29 -6.345 39.176 6.162 1.00 15.95 C ATOM 216 CG TYR A 29 -5.635 38.475 5.033 1.00 17.81 C ATOM 217 CD1 TYR A 29 -5.266 37.146 5.144 1.00 18.41 C ATOM 218 CD2 TYR A 29 -5.331 39.145 3.860 1.00 24.85 C ATOM 219 CE1 TYR A 29 -4.620 36.497 4.119 1.00 26.86 C ATOM 220 CE2 TYR A 29 -4.677 38.504 2.829 1.00 24.55 C ATOM 221 CZ TYR A 29 -4.328 37.183 2.965 1.00 22.71 C ATOM 222 OH TYR A 29 -3.680 36.545 1.931 1.00 33.46 O ATOM 0 H TYR A 29 -8.331 40.829 5.314 1.00 15.43 H new ATOM 0 HA TYR A 29 -8.137 38.184 5.846 1.00 15.65 H new ATOM 0 HB2 TYR A 29 -6.086 40.111 6.165 1.00 15.95 H new ATOM 0 HB3 TYR A 29 -6.049 38.797 7.004 1.00 15.95 H new ATOM 0 HD1 TYR A 29 -5.459 36.683 5.927 1.00 18.41 H new ATOM 0 HD2 TYR A 29 -5.571 40.039 3.766 1.00 24.85 H new ATOM 0 HE1 TYR A 29 -4.383 35.602 4.206 1.00 26.86 H new ATOM 0 HE2 TYR A 29 -4.474 38.964 2.046 1.00 24.55 H new ATOM 0 HH TYR A 29 -3.569 37.083 1.295 1.00 33.46 H new ATOM 223 N ASN A 30 -8.408 38.445 8.326 1.00 13.15 N ATOM 224 CA ASN A 30 -8.771 38.650 9.716 1.00 12.71 C ATOM 225 C ASN A 30 -7.776 37.901 10.579 1.00 12.97 C ATOM 226 O ASN A 30 -7.341 36.804 10.212 1.00 11.97 O ATOM 227 CB ASN A 30 -10.173 38.115 9.977 1.00 14.07 C ATOM 228 CG ASN A 30 -10.609 38.305 11.417 1.00 14.94 C ATOM 229 OD1 ASN A 30 -10.724 39.433 11.898 1.00 16.96 O ATOM 230 ND2 ASN A 30 -10.863 37.203 12.111 1.00 17.21 N ATOM 0 H ASN A 30 -8.169 37.640 8.142 1.00 13.15 H new ATOM 0 HA ASN A 30 -8.758 39.597 9.924 1.00 12.71 H new ATOM 0 HB2 ASN A 30 -10.802 38.564 9.390 1.00 14.07 H new ATOM 0 HB3 ASN A 30 -10.202 37.171 9.755 1.00 14.07 H new ATOM 0 HD21 ASN A 30 -11.119 37.260 12.930 1.00 17.21 H new ATOM 0 HD22 ASN A 30 -10.772 36.432 11.742 1.00 17.21 H new ATOM 231 N THR A 31 -7.399 38.483 11.716 1.00 11.85 N ATOM 232 CA THR A 31 -6.477 37.838 12.631 1.00 12.19 C ATOM 233 C THR A 31 -7.288 37.312 13.807 1.00 14.26 C ATOM 234 O THR A 31 -8.152 38.015 14.363 1.00 14.31 O ATOM 235 CB THR A 31 -5.390 38.824 13.095 1.00 13.45 C ATOM 236 OG1 THR A 31 -4.624 39.230 11.963 1.00 14.95 O ATOM 237 CG2 THR A 31 -4.445 38.164 14.096 1.00 13.24 C ATOM 0 H THR A 31 -7.671 39.257 11.973 1.00 11.85 H new ATOM 0 HA THR A 31 -6.019 37.105 12.192 1.00 12.19 H new ATOM 0 HB THR A 31 -5.823 39.582 13.518 1.00 13.45 H new ATOM 0 HG1 THR A 31 -5.106 39.685 11.447 1.00 14.95 H new ATOM 0 HG21 THR A 31 -3.770 38.803 14.374 1.00 13.24 H new ATOM 0 HG22 THR A 31 -4.949 37.869 14.871 1.00 13.24 H new ATOM 0 HG23 THR A 31 -4.015 37.400 13.680 1.00 13.24 H new ATOM 238 N SER A 32 -7.040 36.052 14.160 1.00 11.53 N ATOM 239 CA SER A 32 -7.763 35.404 15.245 1.00 13.19 C ATOM 240 C SER A 32 -6.853 34.440 15.970 1.00 11.54 C ATOM 241 O SER A 32 -5.772 34.112 15.486 1.00 11.55 O ATOM 242 CB SER A 32 -8.996 34.667 14.721 1.00 12.42 C ATOM 243 OG SER A 32 -8.636 33.504 13.986 1.00 12.70 O ATOM 0 H SER A 32 -6.452 35.554 13.779 1.00 11.53 H new ATOM 0 HA SER A 32 -8.060 36.090 15.863 1.00 13.19 H new ATOM 0 HB2 SER A 32 -9.565 34.417 15.465 1.00 12.42 H new ATOM 0 HB3 SER A 32 -9.513 35.261 14.155 1.00 12.42 H new ATOM 0 HG SER A 32 -8.301 33.730 13.250 1.00 12.70 H new ATOM 244 N ASER A 33 -7.285 34.023 17.157 0.60 11.96 N ATOM 245 N BSER A 33 -7.304 33.993 17.138 0.40 11.99 N ATOM 246 CA ASER A 33 -6.557 33.034 17.945 0.60 11.98 C ATOM 247 CA BSER A 33 -6.560 33.028 17.935 0.40 12.00 C ATOM 248 C ASER A 33 -7.473 31.892 18.356 0.60 12.05 C ATOM 249 C BSER A 33 -7.467 31.913 18.423 0.40 12.05 C ATOM 250 O ASER A 33 -8.701 32.013 18.343 0.60 11.59 O ATOM 251 O BSER A 33 -8.684 32.078 18.535 0.40 11.80 O ATOM 252 CB ASER A 33 -5.950 33.669 19.201 0.60 12.61 C ATOM 253 CB BSER A 33 -5.916 33.710 19.139 0.40 12.64 C ATOM 254 OG ASER A 33 -5.088 34.756 18.892 0.60 12.80 O ATOM 255 OG BSER A 33 -6.904 34.164 20.049 0.40 18.38 O ATOM 0 H ASER A 33 -8.008 34.305 17.528 0.60 11.99 H new ATOM 0 H BSER A 33 -8.049 34.241 17.489 0.40 11.99 H new ATOM 0 HA ASER A 33 -5.842 32.688 17.388 0.60 12.00 H new ATOM 0 HA BSER A 33 -5.869 32.651 17.368 0.40 12.00 H new ATOM 0 HB2ASER A 33 -6.663 33.979 19.781 0.60 12.64 H new ATOM 0 HB2BSER A 33 -5.319 33.090 19.586 0.40 12.64 H new ATOM 0 HB3ASER A 33 -5.455 32.996 19.694 0.60 12.64 H new ATOM 0 HB3BSER A 33 -5.376 34.459 18.841 0.40 12.64 H new ATOM 0 HG ASER A 33 -4.312 34.467 18.750 0.60 18.38 H new ATOM 0 HG BSER A 33 -6.532 34.535 20.705 0.40 18.38 H new ATOM 256 N ILE A 34 -6.856 30.772 18.717 1.00 11.77 N ATOM 257 CA ILE A 34 -7.572 29.638 19.281 1.00 11.29 C ATOM 258 C ILE A 34 -6.700 28.997 20.360 1.00 11.54 C ATOM 259 O ILE A 34 -5.516 28.726 20.154 1.00 11.14 O ATOM 260 CB ILE A 34 -7.986 28.628 18.187 1.00 12.58 C ATOM 261 CG1 ILE A 34 -8.769 27.466 18.807 1.00 12.30 C ATOM 262 CG2 ILE A 34 -6.758 28.138 17.410 1.00 12.42 C ATOM 263 CD1 ILE A 34 -9.407 26.550 17.775 1.00 16.20 C ATOM 0 H AILE A 34 -6.008 30.650 18.641 0.60 11.77 H new ATOM 0 H BILE A 34 -6.016 30.634 18.595 0.40 11.77 H new ATOM 0 HA ILE A 34 -8.399 29.943 19.686 1.00 11.29 H new ATOM 0 HB ILE A 34 -8.570 29.072 17.553 1.00 12.58 H new ATOM 0 HG12 ILE A 34 -8.173 26.945 19.367 1.00 12.30 H new ATOM 0 HG13 ILE A 34 -9.461 27.823 19.385 1.00 12.30 H new ATOM 0 HG21 ILE A 34 -7.037 27.506 16.729 1.00 12.42 H new ATOM 0 HG22 ILE A 34 -6.319 28.893 16.989 1.00 12.42 H new ATOM 0 HG23 ILE A 34 -6.141 27.704 18.020 1.00 12.42 H new ATOM 0 HD11 ILE A 34 -9.886 25.838 18.227 1.00 16.20 H new ATOM 0 HD12 ILE A 34 -10.026 27.059 17.228 1.00 16.20 H new ATOM 0 HD13 ILE A 34 -8.717 26.168 17.211 1.00 16.20 H new ATOM 264 N ASP A 35 -7.293 28.799 21.530 1.00 13.00 N ATOM 265 CA ASP A 35 -6.602 28.164 22.643 1.00 12.47 C ATOM 266 C ASP A 35 -6.786 26.657 22.542 1.00 12.55 C ATOM 267 O ASP A 35 -7.900 26.137 22.688 1.00 15.43 O ATOM 268 CB ASP A 35 -7.142 28.685 23.982 1.00 13.17 C ATOM 269 CG ASP A 35 -6.266 28.285 25.153 1.00 15.41 C ATOM 270 OD1 ASP A 35 -5.468 27.342 25.007 1.00 13.74 O ATOM 271 OD2 ASP A 35 -6.375 28.926 26.225 1.00 19.73 O ATOM 0 H ASP A 35 -8.104 29.028 21.701 1.00 13.00 H new ATOM 0 HA ASP A 35 -5.657 28.378 22.602 1.00 12.47 H new ATOM 0 HB2 ASP A 35 -7.209 29.652 23.947 1.00 13.17 H new ATOM 0 HB3 ASP A 35 -8.039 28.344 24.121 1.00 13.17 H new ATOM 272 N LEU A 36 -5.681 25.969 22.279 1.00 12.10 N ATOM 273 CA LEU A 36 -5.701 24.532 22.015 1.00 12.89 C ATOM 274 C LEU A 36 -5.565 23.688 23.279 1.00 14.01 C ATOM 275 O LEU A 36 -5.570 22.463 23.202 1.00 15.20 O ATOM 276 CB LEU A 36 -4.555 24.177 21.060 1.00 13.90 C ATOM 277 CG LEU A 36 -4.359 24.983 19.772 1.00 18.92 C ATOM 278 CD1 LEU A 36 -2.920 24.881 19.290 1.00 19.66 C ATOM 279 CD2 LEU A 36 -5.300 24.481 18.711 1.00 20.93 C ATOM 0 H LEU A 36 -4.897 26.321 22.248 1.00 12.10 H new ATOM 0 HA LEU A 36 -6.565 24.330 21.623 1.00 12.89 H new ATOM 0 HB2 LEU A 36 -3.729 24.234 21.565 1.00 13.90 H new ATOM 0 HB3 LEU A 36 -4.668 23.248 20.805 1.00 13.90 H new ATOM 0 HG LEU A 36 -4.553 25.916 19.955 1.00 18.92 H new ATOM 0 HD11 LEU A 36 -2.814 25.396 18.475 1.00 19.66 H new ATOM 0 HD12 LEU A 36 -2.325 25.229 19.972 1.00 19.66 H new ATOM 0 HD13 LEU A 36 -2.702 23.952 19.115 1.00 19.66 H new ATOM 0 HD21 LEU A 36 -5.173 24.993 17.897 1.00 20.93 H new ATOM 0 HD22 LEU A 36 -5.119 23.545 18.535 1.00 20.93 H new ATOM 0 HD23 LEU A 36 -6.215 24.581 19.016 1.00 20.93 H new ATOM 280 N AASN A 37 -5.442 24.302 24.437 0.51 13.38 N ATOM 281 N BASN A 37 -5.430 24.365 24.427 0.49 13.36 N ATOM 282 CA AASN A 37 -5.168 23.472 25.593 0.51 14.01 C ATOM 283 CA BASN A 37 -5.066 23.770 25.733 0.49 13.34 C ATOM 284 C AASN A 37 -6.171 22.320 25.759 0.51 14.12 C ATOM 285 C BASN A 37 -6.008 22.668 26.206 0.49 15.06 C ATOM 286 O AASN A 37 -5.786 21.182 26.039 0.51 13.31 O ATOM 287 O BASN A 37 -5.569 21.666 26.789 0.49 12.43 O ATOM 288 CB AASN A 37 -5.078 24.313 26.850 0.51 13.04 C ATOM 289 CB BASN A 37 -5.010 24.873 26.804 0.49 14.49 C ATOM 290 CG AASN A 37 -4.464 23.555 27.988 0.51 15.93 C ATOM 291 CG BASN A 37 -4.076 24.543 27.969 0.49 14.18 C ATOM 292 OD1AASN A 37 -3.558 22.741 27.784 0.51 13.68 O ATOM 293 OD1BASN A 37 -3.348 23.549 27.949 0.49 13.84 O ATOM 294 ND2AASN A 37 -4.956 23.798 29.191 0.51 17.08 N ATOM 295 ND2BASN A 37 -4.080 25.405 28.985 0.49 19.35 N ATOM 0 H AASN A 37 -5.508 25.148 24.576 0.51 13.36 H new ATOM 0 H BASN A 37 -5.552 25.215 24.473 0.49 13.36 H new ATOM 0 HA AASN A 37 -4.306 23.055 25.439 0.51 13.34 H new ATOM 0 HA BASN A 37 -4.199 23.355 25.603 0.49 13.34 H new ATOM 0 HB2AASN A 37 -4.552 25.108 26.670 0.51 14.49 H new ATOM 0 HB2BASN A 37 -4.720 25.701 26.391 0.49 14.49 H new ATOM 0 HB3AASN A 37 -5.965 24.612 27.103 0.51 14.49 H new ATOM 0 HB3BASN A 37 -5.904 25.026 27.148 0.49 14.49 H new ATOM 0 HD21AASN A 37 -4.644 23.381 29.875 0.51 19.35 H new ATOM 0 HD21BASN A 37 -3.561 25.277 29.659 0.49 19.35 H new ATOM 0 HD22AASN A 37 -5.588 24.373 29.289 0.51 19.35 H new ATOM 0 HD22BASN A 37 -4.601 26.089 28.967 0.49 19.35 H new ATOM 296 N ASER A 38 -7.453 22.608 25.549 0.51 14.67 N ATOM 297 N BSER A 38 -7.298 22.887 25.957 0.49 13.60 N ATOM 298 CA ASER A 38 -8.496 21.617 25.819 0.51 16.79 C ATOM 299 CA BSER A 38 -8.379 22.002 26.371 0.49 19.14 C ATOM 300 C ASER A 38 -8.867 20.759 24.617 0.51 17.07 C ATOM 301 C BSER A 38 -8.756 21.017 25.275 0.49 15.58 C ATOM 302 O ASER A 38 -9.753 19.906 24.704 0.51 17.63 O ATOM 303 O BSER A 38 -9.611 20.150 25.492 0.49 15.94 O ATOM 304 CB ASER A 38 -9.741 22.295 26.387 0.51 20.01 C ATOM 305 CB BSER A 38 -9.627 22.833 26.662 0.49 18.18 C ATOM 306 OG ASER A 38 -9.464 22.806 27.676 0.51 21.67 O ATOM 307 OG BSER A 38 -10.280 23.159 25.439 0.49 18.65 O ATOM 0 H ASER A 38 -7.740 23.363 25.254 0.51 13.60 H new ATOM 0 H BSER A 38 -7.575 23.579 25.528 0.49 13.60 H new ATOM 0 HA ASER A 38 -8.119 21.010 26.475 0.51 19.14 H new ATOM 0 HA BSER A 38 -8.069 21.518 27.153 0.49 19.14 H new ATOM 0 HB2ASER A 38 -10.025 23.013 25.800 0.51 18.18 H new ATOM 0 HB2BSER A 38 -10.229 22.338 27.239 0.49 18.18 H new ATOM 0 HB3ASER A 38 -10.473 21.660 26.432 0.51 18.18 H new ATOM 0 HB3BSER A 38 -9.384 23.644 27.135 0.49 18.18 H new ATOM 0 HG ASER A 38 -10.151 23.179 27.983 0.51 18.65 H new ATOM 0 HG BSER A 38 -9.937 23.854 25.114 0.49 18.65 H new ATOM 308 N AVAL A 39 -8.187 20.977 23.500 0.51 15.30 N ATOM 309 N BVAL A 39 -8.177 21.174 24.086 0.49 17.08 N ATOM 310 CA AVAL A 39 -8.495 20.247 22.288 0.51 17.20 C ATOM 311 CA BVAL A 39 -8.486 20.261 22.985 0.49 14.54 C ATOM 312 C AVAL A 39 -7.306 19.394 21.865 0.51 13.85 C ATOM 313 C BVAL A 39 -7.418 19.191 22.776 0.49 13.42 C ATOM 314 O AVAL A 39 -7.404 18.576 20.942 0.51 13.58 O ATOM 315 O BVAL A 39 -7.729 18.019 22.828 0.49 12.61 O ATOM 316 CB AVAL A 39 -8.883 21.197 21.156 0.51 19.85 C ATOM 317 CB BVAL A 39 -8.820 20.969 21.639 0.49 20.58 C ATOM 318 CG1AVAL A 39 -9.847 20.516 20.245 0.51 22.01 C ATOM 319 CG1BVAL A 39 -10.314 21.313 21.552 0.49 16.51 C ATOM 320 CG2AVAL A 39 -9.515 22.467 21.736 0.51 18.52 C ATOM 321 CG2BVAL A 39 -7.957 22.192 21.434 0.49 20.34 C ATOM 0 H AVAL A 39 -7.544 21.544 23.426 0.51 17.08 H new ATOM 0 H BVAL A 39 -7.611 21.793 23.897 0.49 17.08 H new ATOM 0 HA AVAL A 39 -9.251 19.668 22.474 0.51 14.54 H new ATOM 0 HA BVAL A 39 -9.300 19.820 23.276 0.49 14.54 H new ATOM 0 HB AVAL A 39 -8.090 21.443 20.655 0.51 20.58 H new ATOM 0 HB BVAL A 39 -8.620 20.350 20.920 0.49 20.58 H new ATOM 0 HG11AVAL A 39 -10.094 21.118 19.526 0.51 16.51 H new ATOM 0 HG11BVAL A 39 -10.496 21.752 20.707 0.49 16.51 H new ATOM 0 HG12AVAL A 39 -9.434 19.721 19.873 0.51 16.51 H new ATOM 0 HG12BVAL A 39 -10.838 20.499 21.613 0.49 16.51 H new ATOM 0 HG13AVAL A 39 -10.641 20.265 20.743 0.51 16.51 H new ATOM 0 HG13BVAL A 39 -10.553 21.906 22.282 0.49 16.51 H new ATOM 0 HG21AVAL A 39 -9.759 23.066 21.013 0.51 20.34 H new ATOM 0 HG21BVAL A 39 -8.186 22.612 20.590 0.49 20.34 H new ATOM 0 HG22AVAL A 39 -10.308 22.232 22.242 0.51 20.34 H new ATOM 0 HG22BVAL A 39 -8.107 22.819 22.158 0.49 20.34 H new ATOM 0 HG23AVAL A 39 -8.878 22.908 22.320 0.51 20.34 H new ATOM 0 HG23BVAL A 39 -7.023 21.931 21.422 0.49 20.34 H new ATOM 322 N ILE A 40 -6.177 19.602 22.536 1.00 11.66 N ATOM 323 CA ILE A 40 -5.041 18.709 22.373 1.00 10.97 C ATOM 324 C ILE A 40 -4.630 18.123 23.723 1.00 12.52 C ATOM 325 O ILE A 40 -4.589 18.840 24.728 1.00 13.04 O ATOM 326 CB ILE A 40 -3.856 19.450 21.716 1.00 11.44 C ATOM 327 CG1 ILE A 40 -4.221 19.868 20.287 1.00 12.53 C ATOM 328 CG2 ILE A 40 -2.613 18.563 21.708 1.00 12.50 C ATOM 329 CD1 ILE A 40 -3.157 20.707 19.575 1.00 12.11 C ATOM 0 H AILE A 40 -6.051 20.251 23.086 0.51 11.66 H new ATOM 0 H BILE A 40 -5.969 20.433 22.462 0.49 11.66 H new ATOM 0 HA ILE A 40 -5.303 17.981 21.788 1.00 10.97 H new ATOM 0 HB ILE A 40 -3.662 20.247 22.234 1.00 11.44 H new ATOM 0 HG12 ILE A 40 -4.390 19.070 19.763 1.00 12.53 H new ATOM 0 HG13 ILE A 40 -5.050 20.372 20.312 1.00 12.53 H new ATOM 0 HG21 ILE A 40 -1.877 19.040 21.293 1.00 12.50 H new ATOM 0 HG22 ILE A 40 -2.375 18.331 22.619 1.00 12.50 H new ATOM 0 HG23 ILE A 40 -2.796 17.753 21.206 1.00 12.50 H new ATOM 0 HD11 ILE A 40 -3.464 20.929 18.682 1.00 12.11 H new ATOM 0 HD12 ILE A 40 -3.001 21.524 20.075 1.00 12.11 H new ATOM 0 HD13 ILE A 40 -2.331 20.201 19.517 1.00 12.11 H new ATOM 330 N ALA A 41 -4.353 16.823 23.741 1.00 12.01 N ATOM 331 CA ALA A 41 -3.995 16.133 24.974 1.00 13.35 C ATOM 332 C ALA A 41 -2.559 15.662 24.886 1.00 11.03 C ATOM 333 O ALA A 41 -2.048 15.403 23.791 1.00 14.94 O ATOM 334 CB ALA A 41 -4.935 14.934 25.203 1.00 15.57 C ATOM 0 H ALA A 41 -4.367 16.320 23.044 1.00 12.01 H new ATOM 0 HA ALA A 41 -4.087 16.743 25.722 1.00 13.35 H new ATOM 0 HB1 ALA A 41 -4.689 14.482 26.025 1.00 15.57 H new ATOM 0 HB2 ALA A 41 -5.850 15.248 25.269 1.00 15.57 H new ATOM 0 HB3 ALA A 41 -4.859 14.316 24.459 1.00 15.57 H new ATOM 335 N ALA A 42 -1.911 15.564 26.043 1.00 13.27 N ATOM 336 CA ALA A 42 -0.603 14.952 26.152 1.00 15.04 C ATOM 337 C ALA A 42 -0.787 13.588 26.797 1.00 15.48 C ATOM 338 O ALA A 42 -1.245 13.491 27.937 1.00 17.29 O ATOM 339 CB ALA A 42 0.316 15.812 26.993 1.00 16.90 C ATOM 0 H ALA A 42 -2.225 15.854 26.789 1.00 13.27 H new ATOM 0 HA ALA A 42 -0.199 14.862 25.275 1.00 15.04 H new ATOM 0 HB1 ALA A 42 1.187 15.389 27.057 1.00 16.90 H new ATOM 0 HB2 ALA A 42 0.410 16.685 26.580 1.00 16.90 H new ATOM 0 HB3 ALA A 42 -0.059 15.914 27.882 1.00 16.90 H new ATOM 340 N VAL A 43 -0.456 12.542 26.054 1.00 15.48 N ATOM 341 CA VAL A 43 -0.613 11.189 26.556 1.00 15.54 C ATOM 342 C VAL A 43 0.732 10.488 26.516 1.00 14.68 C ATOM 343 O VAL A 43 1.252 10.215 25.442 1.00 15.75 O ATOM 344 CB VAL A 43 -1.625 10.410 25.704 1.00 18.75 C ATOM 345 CG1 VAL A 43 -1.835 9.014 26.278 1.00 25.96 C ATOM 346 CG2 VAL A 43 -2.943 11.161 25.635 1.00 24.17 C ATOM 0 H VAL A 43 -0.139 12.595 25.256 1.00 15.48 H new ATOM 0 HA VAL A 43 -0.943 11.226 27.467 1.00 15.54 H new ATOM 0 HB VAL A 43 -1.273 10.323 24.804 1.00 18.75 H new ATOM 0 HG11 VAL A 43 -2.476 8.532 25.732 1.00 25.96 H new ATOM 0 HG12 VAL A 43 -0.991 8.536 26.283 1.00 25.96 H new ATOM 0 HG13 VAL A 43 -2.172 9.084 27.185 1.00 25.96 H new ATOM 0 HG21 VAL A 43 -3.573 10.660 25.095 1.00 24.17 H new ATOM 0 HG22 VAL A 43 -3.300 11.271 26.530 1.00 24.17 H new ATOM 0 HG23 VAL A 43 -2.798 12.033 25.236 1.00 24.17 H new ATOM 347 N ASP A 44 1.289 10.211 27.693 1.00 17.59 N ATOM 348 CA ASP A 44 2.589 9.549 27.824 1.00 17.95 C ATOM 349 C ASP A 44 3.644 10.146 26.887 1.00 12.83 C ATOM 350 O ASP A 44 4.380 9.423 26.221 1.00 17.03 O ATOM 351 CB ASP A 44 2.457 8.037 27.591 1.00 21.78 C ATOM 352 CG ASP A 44 3.703 7.265 28.013 1.00 20.77 C ATOM 353 OD1 ASP A 44 4.461 7.756 28.879 1.00 20.42 O ATOM 354 OD2 ASP A 44 3.915 6.155 27.476 1.00 26.81 O ATOM 0 H ASP A 44 0.921 10.403 28.446 1.00 17.59 H new ATOM 0 HA ASP A 44 2.893 9.701 28.733 1.00 17.95 H new ATOM 0 HB2 ASP A 44 1.692 7.703 28.085 1.00 21.78 H new ATOM 0 HB3 ASP A 44 2.282 7.872 26.651 1.00 21.78 H new ATOM 355 N GLY A 45 3.703 11.472 26.840 1.00 15.92 N ATOM 356 CA GLY A 45 4.753 12.160 26.114 1.00 17.88 C ATOM 357 C GLY A 45 4.436 12.466 24.664 1.00 14.76 C ATOM 358 O GLY A 45 5.302 12.976 23.944 1.00 17.40 O ATOM 0 H GLY A 45 3.138 11.992 27.227 1.00 15.92 H new ATOM 0 HA2 GLY A 45 4.951 12.993 26.570 1.00 17.88 H new ATOM 0 HA3 GLY A 45 5.558 11.620 26.148 1.00 17.88 H new ATOM 359 N SER A 46 3.212 12.162 24.231 1.00 14.71 N ATOM 360 CA SER A 46 2.817 12.349 22.831 1.00 14.58 C ATOM 361 C SER A 46 1.554 13.199 22.720 1.00 13.61 C ATOM 362 O SER A 46 0.556 12.940 23.398 1.00 14.32 O ATOM 363 CB SER A 46 2.591 10.991 22.169 1.00 17.41 C ATOM 364 OG SER A 46 2.109 11.136 20.845 1.00 17.91 O ATOM 0 H SER A 46 2.591 11.844 24.734 1.00 14.71 H new ATOM 0 HA SER A 46 3.535 12.816 22.375 1.00 14.58 H new ATOM 0 HB2 SER A 46 3.422 10.491 22.160 1.00 17.41 H new ATOM 0 HB3 SER A 46 1.956 10.476 22.692 1.00 17.41 H new ATOM 0 HG SER A 46 2.237 11.924 20.585 1.00 17.91 H new ATOM 365 N LEU A 47 1.593 14.214 21.866 1.00 13.01 N ATOM 366 CA LEU A 47 0.443 15.075 21.623 1.00 11.77 C ATOM 367 C LEU A 47 -0.585 14.352 20.759 1.00 13.02 C ATOM 368 O LEU A 47 -0.245 13.777 19.718 1.00 14.38 O ATOM 369 CB LEU A 47 0.887 16.337 20.893 1.00 13.49 C ATOM 370 CG LEU A 47 1.749 17.272 21.724 1.00 13.10 C ATOM 371 CD1 LEU A 47 2.403 18.327 20.824 1.00 15.17 C ATOM 372 CD2 LEU A 47 0.954 17.920 22.838 1.00 16.28 C ATOM 0 H LEU A 47 2.291 14.424 21.409 1.00 13.01 H new ATOM 0 HA LEU A 47 0.047 15.306 22.478 1.00 11.77 H new ATOM 0 HB2 LEU A 47 1.380 16.081 20.098 1.00 13.49 H new ATOM 0 HB3 LEU A 47 0.100 16.819 20.595 1.00 13.49 H new ATOM 0 HG LEU A 47 2.449 16.746 22.142 1.00 13.10 H new ATOM 0 HD11 LEU A 47 2.951 18.918 21.364 1.00 15.17 H new ATOM 0 HD12 LEU A 47 2.959 17.888 20.161 1.00 15.17 H new ATOM 0 HD13 LEU A 47 1.714 18.843 20.377 1.00 15.17 H new ATOM 0 HD21 LEU A 47 1.532 18.509 23.348 1.00 16.28 H new ATOM 0 HD22 LEU A 47 0.224 18.433 22.458 1.00 16.28 H new ATOM 0 HD23 LEU A 47 0.596 17.233 23.422 1.00 16.28 H new ATOM 373 N LYS A 48 -1.844 14.420 21.185 1.00 12.51 N ATOM 374 CA LYS A 48 -2.951 13.718 20.534 1.00 12.41 C ATOM 375 C LYS A 48 -4.168 14.625 20.423 1.00 12.87 C ATOM 376 O LYS A 48 -4.336 15.553 21.200 1.00 12.87 O ATOM 377 CB LYS A 48 -3.378 12.501 21.369 1.00 16.67 C ATOM 378 CG LYS A 48 -2.265 11.528 21.747 1.00 18.98 C ATOM 379 CD LYS A 48 -1.715 10.812 20.532 1.00 23.37 C ATOM 380 CE LYS A 48 -0.657 9.793 20.944 1.00 27.76 C ATOM 381 NZ LYS A 48 0.028 9.173 19.775 1.00 28.20 N ATOM 0 H LYS A 48 -2.084 14.881 21.870 1.00 12.51 H new ATOM 0 HA LYS A 48 -2.643 13.446 19.655 1.00 12.41 H new ATOM 0 HB2 LYS A 48 -3.795 12.820 22.184 1.00 16.67 H new ATOM 0 HB3 LYS A 48 -4.056 12.014 20.875 1.00 16.67 H new ATOM 0 HG2 LYS A 48 -1.550 12.010 22.191 1.00 18.98 H new ATOM 0 HG3 LYS A 48 -2.605 10.877 22.381 1.00 18.98 H new ATOM 0 HD2 LYS A 48 -2.435 10.365 20.060 1.00 23.37 H new ATOM 0 HD3 LYS A 48 -1.329 11.456 19.918 1.00 23.37 H new ATOM 0 HE2 LYS A 48 0.002 10.227 21.508 1.00 27.76 H new ATOM 0 HE3 LYS A 48 -1.073 9.097 21.477 1.00 27.76 H new ATOM 0 HZ1 LYS A 48 0.087 8.294 19.898 1.00 28.20 H new ATOM 0 HZ2 LYS A 48 -0.439 9.338 19.035 1.00 28.20 H new ATOM 0 HZ3 LYS A 48 0.845 9.517 19.693 1.00 28.20 H new ATOM 382 N ATRP A 49 -4.973 14.389 19.397 0.61 12.24 N ATOM 383 N BTRP A 49 -5.066 14.277 19.502 0.39 12.25 N ATOM 384 CA ATRP A 49 -6.212 15.128 19.218 0.61 13.60 C ATOM 385 CA BTRP A 49 -6.421 14.833 19.459 0.39 13.15 C ATOM 386 C ATRP A 49 -7.197 14.605 20.249 0.61 13.35 C ATOM 387 C BTRP A 49 -7.376 13.901 20.215 0.39 14.50 C ATOM 388 O ATRP A 49 -7.003 13.512 20.777 0.61 13.30 O ATOM 389 O BTRP A 49 -7.681 12.813 19.737 0.39 14.93 O ATOM 390 CB ATRP A 49 -6.723 14.952 17.789 0.61 11.88 C ATOM 391 CB BTRP A 49 -6.906 14.951 18.012 0.39 11.98 C ATOM 392 CG ATRP A 49 -5.875 15.685 16.789 0.61 10.63 C ATOM 393 CG BTRP A 49 -6.005 15.716 17.080 0.39 10.32 C ATOM 394 CD1ATRP A 49 -5.117 15.136 15.791 0.61 10.22 C ATOM 395 CD1BTRP A 49 -5.171 15.192 16.130 0.39 11.62 C ATOM 396 CD2ATRP A 49 -5.692 17.106 16.695 0.61 10.43 C ATOM 397 CD2BTRP A 49 -5.880 17.142 16.978 0.39 10.54 C ATOM 398 NE1ATRP A 49 -4.471 16.127 15.086 0.61 10.85 N ATOM 399 NE1BTRP A 49 -4.524 16.201 15.458 0.39 11.38 N ATOM 400 CE2ATRP A 49 -4.811 17.345 15.619 0.61 10.73 C ATOM 401 CE2BTRP A 49 -4.940 17.408 15.960 0.39 10.58 C ATOM 402 CE3ATRP A 49 -6.188 18.198 17.418 0.61 12.00 C ATOM 403 CE3BTRP A 49 -6.462 18.220 17.655 0.39 11.39 C ATOM 404 CZ2ATRP A 49 -4.418 18.631 15.245 0.61 11.49 C ATOM 405 CZ2BTRP A 49 -4.572 18.705 15.600 0.39 11.56 C ATOM 406 CZ3ATRP A 49 -5.801 19.473 17.044 0.61 12.51 C ATOM 407 CZ3BTRP A 49 -6.096 19.507 17.295 0.39 12.16 C ATOM 408 CH2ATRP A 49 -4.930 19.680 15.962 0.61 11.35 C ATOM 409 CH2BTRP A 49 -5.163 19.738 16.274 0.39 11.60 C ATOM 0 H ATRP A 49 -4.818 13.801 18.789 0.61 12.25 H new ATOM 0 H BTRP A 49 -4.905 13.707 18.879 0.39 12.25 H new ATOM 0 HA ATRP A 49 -6.083 16.080 19.349 0.61 13.15 H new ATOM 0 HA BTRP A 49 -6.407 15.713 19.868 0.39 13.15 H new ATOM 0 HB2ATRP A 49 -6.739 14.008 17.567 0.61 11.98 H new ATOM 0 HB2BTRP A 49 -7.028 14.057 17.656 0.39 11.98 H new ATOM 0 HB3ATRP A 49 -7.637 15.272 17.732 0.61 11.98 H new ATOM 0 HB3BTRP A 49 -7.778 15.377 18.014 0.39 11.98 H new ATOM 0 HD1ATRP A 49 -5.048 14.226 15.614 0.61 11.62 H new ATOM 0 HD1BTRP A 49 -5.058 14.284 15.963 0.39 11.62 H new ATOM 0 HE1ATRP A 49 -3.941 16.003 14.420 0.61 11.38 H new ATOM 0 HE1BTRP A 49 -3.951 16.093 14.825 0.39 11.38 H new ATOM 0 HE3ATRP A 49 -6.766 18.069 18.135 0.61 11.39 H new ATOM 0 HE3BTRP A 49 -7.082 18.075 18.333 0.39 11.39 H new ATOM 0 HZ2ATRP A 49 -3.832 18.770 14.537 0.61 11.56 H new ATOM 0 HZ2BTRP A 49 -3.949 18.861 14.928 0.39 11.56 H new ATOM 0 HZ3ATRP A 49 -6.123 20.206 17.518 0.61 12.16 H new ATOM 0 HZ3BTRP A 49 -6.476 20.231 17.739 0.39 12.16 H new ATOM 0 HH2ATRP A 49 -4.696 20.549 15.727 0.61 11.60 H new ATOM 0 HH2BTRP A 49 -4.941 20.613 16.050 0.39 11.60 H new ATOM 410 N APRO A 50 -8.242 15.385 20.559 0.61 13.09 N ATOM 411 N BPRO A 50 -7.847 14.313 21.402 0.39 13.24 N ATOM 412 CA APRO A 50 -9.085 15.003 21.696 0.61 14.60 C ATOM 413 CA BPRO A 50 -8.685 13.403 22.201 0.39 13.66 C ATOM 414 C APRO A 50 -9.812 13.680 21.487 0.61 14.82 C ATOM 415 C BPRO A 50 -10.142 13.239 21.747 0.39 17.62 C ATOM 416 O APRO A 50 -10.003 13.234 20.362 0.61 16.97 O ATOM 417 O BPRO A 50 -10.665 12.123 21.834 0.39 19.03 O ATOM 418 CB APRO A 50 -10.110 16.139 21.793 0.61 11.60 C ATOM 419 CB BPRO A 50 -8.652 14.049 23.587 0.39 13.65 C ATOM 420 CG APRO A 50 -9.985 16.943 20.499 0.61 11.92 C ATOM 421 CG BPRO A 50 -8.419 15.468 23.295 0.39 12.54 C ATOM 422 CD APRO A 50 -8.777 16.513 19.771 0.61 12.70 C ATOM 423 CD BPRO A 50 -7.398 15.455 22.207 0.39 12.74 C ATOM 0 HA APRO A 50 -8.549 14.878 22.494 0.61 13.66 H new ATOM 0 HA BPRO A 50 -8.338 12.500 22.135 0.39 13.66 H new ATOM 0 HB2APRO A 50 -11.008 15.787 21.896 0.61 13.65 H new ATOM 0 HB2BPRO A 50 -9.486 13.914 24.064 0.39 13.65 H new ATOM 0 HB3APRO A 50 -9.934 16.698 22.566 0.61 13.65 H new ATOM 0 HB3BPRO A 50 -7.946 13.677 24.138 0.39 13.65 H new ATOM 0 HG2APRO A 50 -10.772 16.811 19.947 0.61 12.54 H new ATOM 0 HG2BPRO A 50 -9.234 15.910 23.011 0.39 12.54 H new ATOM 0 HG3APRO A 50 -9.934 17.891 20.699 0.61 12.54 H new ATOM 0 HG3BPRO A 50 -8.097 15.943 24.077 0.39 12.54 H new ATOM 0 HD2APRO A 50 -8.991 16.239 18.865 0.61 12.74 H new ATOM 0 HD2BPRO A 50 -7.395 16.281 21.699 0.39 12.74 H new ATOM 0 HD3APRO A 50 -8.131 17.234 19.705 0.61 12.74 H new ATOM 0 HD3BPRO A 50 -6.500 15.329 22.550 0.39 12.74 H new ATOM 424 N ASER A 51 -10.219 13.065 22.592 0.61 16.54 N ATOM 425 N BSER A 51 -10.785 14.327 21.321 0.39 17.16 N ATOM 426 CA ASER A 51 -11.025 11.857 22.544 0.61 15.48 C ATOM 427 CA BSER A 51 -12.187 14.311 20.856 0.39 17.68 C ATOM 428 C ASER A 51 -12.330 12.072 23.313 0.61 15.78 C ATOM 429 C BSER A 51 -13.263 13.985 21.901 0.39 18.76 C ATOM 430 O ASER A 51 -12.666 11.285 24.184 0.61 13.01 O ATOM 431 O BSER A 51 -13.046 13.199 22.827 0.39 16.98 O ATOM 432 CB ASER A 51 -10.253 10.678 23.144 0.61 13.85 C ATOM 433 CB BSER A 51 -12.351 13.358 19.680 0.39 22.89 C ATOM 434 OG ASER A 51 -9.194 10.262 22.297 0.61 18.27 O ATOM 435 OG BSER A 51 -12.519 12.022 20.108 0.39 27.04 O ATOM 0 H ASER A 51 -10.035 13.337 23.387 0.61 17.16 H new ATOM 0 H BSER A 51 -10.421 15.106 21.291 0.39 17.16 H new ATOM 0 HA ASER A 51 -11.230 11.655 21.618 0.61 17.68 H new ATOM 0 HA BSER A 51 -12.344 15.235 20.607 0.39 17.68 H new ATOM 0 HB2ASER A 51 -9.896 10.931 24.010 0.61 22.89 H new ATOM 0 HB2BSER A 51 -13.118 13.627 19.150 0.39 22.89 H new ATOM 0 HB3ASER A 51 -10.859 9.936 23.294 0.61 22.89 H new ATOM 0 HB3BSER A 51 -11.573 13.418 19.104 0.39 22.89 H new ATOM 0 HG ASER A 51 -8.955 9.485 22.508 0.61 27.04 H new ATOM 0 HG BSER A 51 -11.826 11.766 20.507 0.39 27.04 H new ATOM 436 N AASN A 52 -13.051 13.150 23.011 0.61 17.02 N ATOM 437 N BASN A 52 -14.443 14.571 21.698 0.39 17.11 N ATOM 438 CA AASN A 52 -14.272 13.482 23.749 0.61 13.36 C ATOM 439 CA BASN A 52 -15.604 14.380 22.569 0.39 15.85 C ATOM 440 C AASN A 52 -15.171 12.248 23.847 0.61 14.28 C ATOM 441 C BASN A 52 -15.864 12.930 22.960 0.39 15.48 C ATOM 442 O AASN A 52 -15.407 11.584 22.844 0.61 12.90 O ATOM 443 O BASN A 52 -15.956 12.055 22.098 0.39 14.22 O ATOM 444 CB AASN A 52 -15.024 14.638 23.077 0.61 12.64 C ATOM 445 CB BASN A 52 -16.856 14.945 21.898 0.39 17.94 C ATOM 446 CG AASN A 52 -14.228 15.943 23.051 0.61 14.40 C ATOM 447 CG BASN A 52 -16.680 16.377 21.456 0.39 19.90 C ATOM 448 OD1AASN A 52 -13.119 15.983 23.765 0.61 20.14 O flip ATOM 449 OD1BASN A 52 -15.943 17.146 22.080 0.39 16.21 O ATOM 450 ND2AASN A 52 -14.628 16.906 22.395 0.61 13.36 N flip ATOM 451 ND2BASN A 52 -17.357 16.748 20.377 0.39 23.37 N ATOM 0 H AASN A 52 -12.852 13.703 22.383 0.61 17.11 H new ATOM 0 H BASN A 52 -14.594 15.101 21.038 0.39 17.11 H new ATOM 0 HA AASN A 52 -14.023 13.767 24.642 0.61 15.85 H new ATOM 0 HA BASN A 52 -15.397 14.856 23.389 0.39 15.85 H new ATOM 0 HB2AASN A 52 -15.248 14.385 22.168 0.61 17.94 H new ATOM 0 HB2BASN A 52 -17.082 14.398 21.129 0.39 17.94 H new ATOM 0 HB3AASN A 52 -15.861 14.786 23.544 0.61 17.94 H new ATOM 0 HB3BASN A 52 -17.603 14.890 22.515 0.39 17.94 H new ATOM 0 HD21AASN A 52 -15.356 16.844 21.941 0.61 23.37 H new ATOM 0 HD21BASN A 52 -17.292 17.554 20.085 0.39 23.37 H new ATOM 0 HD22AASN A 52 -14.179 17.640 22.391 0.61 23.37 H new ATOM 0 HD22BASN A 52 -17.861 16.182 19.970 0.39 23.37 H new ATOM 452 N APHE A 53 -15.691 11.945 25.038 0.61 13.64 N ATOM 453 N BPHE A 53 -16.017 12.678 24.255 0.39 13.16 N ATOM 454 CA APHE A 53 -16.338 10.645 25.242 0.61 15.04 C ATOM 455 CA BPHE A 53 -16.165 11.307 24.727 0.39 15.25 C ATOM 456 C APHE A 53 -17.626 10.372 24.454 0.61 14.71 C ATOM 457 C BPHE A 53 -17.475 10.686 24.252 0.39 13.76 C ATOM 458 O APHE A 53 -17.924 9.220 24.148 0.61 13.54 O ATOM 459 O BPHE A 53 -17.589 9.462 24.136 0.39 13.78 O ATOM 460 CB APHE A 53 -16.501 10.301 26.736 0.61 14.66 C ATOM 461 CB BPHE A 53 -16.001 11.219 26.250 0.39 14.91 C ATOM 462 CG APHE A 53 -17.594 11.066 27.453 0.61 13.77 C ATOM 463 CG BPHE A 53 -17.246 11.549 27.037 0.39 12.43 C ATOM 464 CD1APHE A 53 -17.374 12.349 27.929 0.61 12.58 C ATOM 465 CD1BPHE A 53 -18.211 10.582 27.274 0.39 15.73 C ATOM 466 CD2APHE A 53 -18.819 10.467 27.715 0.61 13.06 C ATOM 467 CD2BPHE A 53 -17.425 12.812 27.580 0.39 12.50 C ATOM 468 CE1APHE A 53 -18.368 13.037 28.626 0.61 12.44 C ATOM 469 CE1BPHE A 53 -19.344 10.877 28.008 0.39 15.57 C ATOM 470 CE2APHE A 53 -19.813 11.152 28.408 0.61 14.98 C ATOM 471 CE2BPHE A 53 -18.558 13.114 28.324 0.39 13.69 C ATOM 472 CZ APHE A 53 -19.586 12.433 28.856 0.61 13.43 C ATOM 473 CZ BPHE A 53 -19.519 12.143 28.537 0.39 13.07 C ATOM 0 H APHE A 53 -15.682 12.462 25.725 0.61 13.16 H new ATOM 0 H BPHE A 53 -16.038 13.279 24.870 0.39 13.16 H new ATOM 0 HA APHE A 53 -15.701 10.032 24.842 0.61 15.25 H new ATOM 0 HA BPHE A 53 -15.450 10.783 24.334 0.39 15.25 H new ATOM 0 HB2APHE A 53 -16.682 9.352 26.818 0.61 14.91 H new ATOM 0 HB2BPHE A 53 -15.715 10.321 26.481 0.39 14.91 H new ATOM 0 HB3APHE A 53 -15.658 10.469 27.187 0.61 14.91 H new ATOM 0 HB3BPHE A 53 -15.291 11.822 26.522 0.39 14.91 H new ATOM 0 HD1APHE A 53 -16.552 12.757 27.782 0.61 15.73 H new ATOM 0 HD1BPHE A 53 -18.094 9.724 26.935 0.39 15.73 H new ATOM 0 HD2APHE A 53 -18.977 9.598 27.424 0.61 12.50 H new ATOM 0 HD2BPHE A 53 -16.778 13.466 27.444 0.39 12.50 H new ATOM 0 HE1APHE A 53 -18.210 13.900 28.934 0.61 15.57 H new ATOM 0 HE1BPHE A 53 -19.990 10.223 28.147 0.39 15.57 H new ATOM 0 HE2APHE A 53 -20.633 10.743 28.569 0.61 13.69 H new ATOM 0 HE2BPHE A 53 -18.670 13.967 28.678 0.39 13.69 H new ATOM 0 HZ APHE A 53 -20.254 12.891 29.314 0.61 13.07 H new ATOM 0 HZ BPHE A 53 -20.280 12.340 29.034 0.39 13.07 H new ATOM 474 N AILE A 54 -18.383 11.403 24.104 0.61 14.07 N ATOM 475 N BILE A 54 -18.448 11.540 23.950 0.39 13.63 N ATOM 476 CA AILE A 54 -19.670 11.155 23.466 0.61 16.58 C ATOM 477 CA BILE A 54 -19.725 11.087 23.431 0.39 16.61 C ATOM 478 C AILE A 54 -19.527 10.579 22.044 0.61 18.14 C ATOM 479 C BILE A 54 -19.535 10.545 22.012 0.39 18.12 C ATOM 480 O AILE A 54 -20.451 9.938 21.527 0.61 19.84 O ATOM 481 O BILE A 54 -20.434 9.904 21.458 0.39 19.81 O ATOM 482 CB AILE A 54 -20.576 12.412 23.502 0.61 20.07 C ATOM 483 CB BILE A 54 -20.771 12.232 23.456 0.39 20.17 C ATOM 484 CG1AILE A 54 -22.046 12.014 23.377 0.61 23.16 C ATOM 485 CG1BILE A 54 -22.141 11.706 23.887 0.39 23.19 C ATOM 486 CG2AILE A 54 -20.169 13.409 22.428 0.61 19.79 C ATOM 487 CG2BILE A 54 -20.824 12.960 22.119 0.39 18.17 C ATOM 488 CD1AILE A 54 -23.005 13.155 23.629 0.61 23.75 C ATOM 489 CD1BILE A 54 -22.178 11.248 25.327 0.39 18.29 C ATOM 0 H AILE A 54 -18.180 12.230 24.222 0.61 13.63 H new ATOM 0 H BILE A 54 -18.384 12.393 24.041 0.39 13.63 H new ATOM 0 HA AILE A 54 -20.112 10.468 23.989 0.61 16.61 H new ATOM 0 HA BILE A 54 -20.062 10.375 23.997 0.39 16.61 H new ATOM 0 HB AILE A 54 -20.460 12.851 24.359 0.61 20.17 H new ATOM 0 HB BILE A 54 -20.494 12.885 24.118 0.39 20.17 H new ATOM 0 HG12AILE A 54 -22.203 11.660 22.488 0.61 23.19 H new ATOM 0 HG12BILE A 54 -22.803 12.403 23.758 0.39 23.19 H new ATOM 0 HG13AILE A 54 -22.234 11.299 24.004 0.61 23.19 H new ATOM 0 HG13BILE A 54 -22.392 10.966 23.312 0.39 23.19 H new ATOM 0 HG21AILE A 54 -20.749 14.185 22.470 0.61 18.17 H new ATOM 0 HG21BILE A 54 -21.484 13.669 22.162 0.39 18.17 H new ATOM 0 HG22AILE A 54 -19.250 13.684 22.573 0.61 18.17 H new ATOM 0 HG22BILE A 54 -19.954 13.341 21.923 0.39 18.17 H new ATOM 0 HG23AILE A 54 -20.248 12.994 21.555 0.61 18.17 H new ATOM 0 HG23BILE A 54 -21.068 12.334 21.419 0.39 18.17 H new ATOM 0 HD11AILE A 54 -23.917 12.838 23.535 0.61 18.29 H new ATOM 0 HD11BILE A 54 -23.068 10.927 25.542 0.39 18.29 H new ATOM 0 HD12AILE A 54 -22.873 13.497 24.527 0.61 18.29 H new ATOM 0 HD12BILE A 54 -21.536 10.532 25.456 0.39 18.29 H new ATOM 0 HD13AILE A 54 -22.841 13.863 22.987 0.61 18.29 H new ATOM 0 HD13BILE A 54 -21.954 11.991 25.909 0.39 18.29 H new ATOM 490 N GLU A 55 -18.355 10.795 21.442 1.00 15.46 N ATOM 491 CA GLU A 55 -18.002 10.287 20.105 1.00 17.91 C ATOM 492 C GLU A 55 -17.547 8.831 20.125 1.00 19.92 C ATOM 493 O GLU A 55 -17.215 8.267 19.078 1.00 23.42 O ATOM 494 CB GLU A 55 -16.833 11.088 19.507 1.00 19.76 C ATOM 495 CG GLU A 55 -17.057 12.575 19.313 1.00 19.54 C ATOM 496 CD GLU A 55 -15.805 13.262 18.781 1.00 24.65 C ATOM 497 OE1 GLU A 55 -14.987 12.575 18.122 1.00 28.91 O ATOM 498 OE2 GLU A 55 -15.636 14.475 19.021 1.00 22.78 O ATOM 0 H AGLU A 55 -17.725 11.253 21.807 0.61 15.46 H new ATOM 0 H BGLU A 55 -17.736 11.262 21.815 0.39 15.46 H new ATOM 0 HA GLU A 55 -18.812 10.375 19.579 1.00 17.91 H new ATOM 0 HB2 GLU A 55 -16.060 10.970 20.081 1.00 19.76 H new ATOM 0 HB3 GLU A 55 -16.609 10.700 18.646 1.00 19.76 H new ATOM 0 HG2 GLU A 55 -17.792 12.715 18.696 1.00 19.54 H new ATOM 0 HG3 GLU A 55 -17.315 12.978 20.157 1.00 19.54 H new ATOM 499 N ALA A 56 -17.487 8.232 21.308 1.00 17.49 N ATOM 500 CA ALA A 56 -17.007 6.860 21.429 1.00 18.20 C ATOM 501 C ALA A 56 -17.849 6.023 22.382 1.00 17.83 C ATOM 502 O ALA A 56 -17.584 4.840 22.564 1.00 19.31 O ATOM 503 CB ALA A 56 -15.546 6.853 21.874 1.00 21.21 C ATOM 0 H ALA A 56 -17.718 8.600 22.050 1.00 17.49 H new ATOM 0 HA ALA A 56 -17.085 6.454 20.552 1.00 18.20 H new ATOM 0 HB1 ALA A 56 -15.236 5.937 21.952 1.00 21.21 H new ATOM 0 HB2 ALA A 56 -15.006 7.323 21.219 1.00 21.21 H new ATOM 0 HB3 ALA A 56 -15.467 7.295 22.734 1.00 21.21 H new ATOM 504 N CYS A 57 -18.866 6.635 22.978 1.00 14.17 N ATOM 505 CA CYS A 57 -19.598 6.003 24.071 1.00 13.45 C ATOM 506 C CYS A 57 -21.101 6.096 23.888 1.00 14.53 C ATOM 507 O CYS A 57 -21.614 7.003 23.227 1.00 16.13 O ATOM 508 CB CYS A 57 -19.235 6.649 25.409 1.00 15.54 C ATOM 509 SG CYS A 57 -17.482 6.663 25.817 1.00 16.64 S ATOM 0 H CYS A 57 -19.149 7.418 22.764 1.00 14.17 H new ATOM 0 HA CYS A 57 -19.341 5.068 24.066 1.00 13.45 H new ATOM 0 HB2 CYS A 57 -19.557 7.564 25.406 1.00 15.54 H new ATOM 0 HB3 CYS A 57 -19.711 6.183 26.114 1.00 15.54 H new ATOM 510 N ARG A 58 -21.804 5.155 24.495 1.00 13.00 N ATOM 511 CA ARG A 58 -23.254 5.116 24.447 1.00 12.29 C ATOM 512 C ARG A 58 -23.801 4.892 25.854 1.00 11.89 C ATOM 513 O ARG A 58 -23.053 4.498 26.759 1.00 12.19 O ATOM 514 CB ARG A 58 -23.725 3.989 23.535 1.00 12.54 C ATOM 515 CG ARG A 58 -23.440 2.621 24.096 1.00 12.35 C ATOM 516 CD ARG A 58 -23.713 1.524 23.081 1.00 12.90 C ATOM 517 NE ARG A 58 -23.487 0.221 23.693 1.00 13.80 N ATOM 518 CZ ARG A 58 -23.437 -0.927 23.037 1.00 15.09 C ATOM 519 NH1 ARG A 58 -23.589 -0.956 21.721 1.00 16.50 N ATOM 520 NH2 ARG A 58 -23.214 -2.050 23.704 1.00 18.03 N ATOM 0 H ARG A 58 -21.451 4.516 24.950 1.00 13.00 H new ATOM 0 HA ARG A 58 -23.580 5.960 24.097 1.00 12.29 H new ATOM 0 HB2 ARG A 58 -24.679 4.079 23.384 1.00 12.54 H new ATOM 0 HB3 ARG A 58 -23.292 4.076 22.671 1.00 12.54 H new ATOM 0 HG2 ARG A 58 -22.514 2.575 24.380 1.00 12.35 H new ATOM 0 HG3 ARG A 58 -23.986 2.475 24.884 1.00 12.35 H new ATOM 0 HD2 ARG A 58 -24.627 1.587 22.762 1.00 12.90 H new ATOM 0 HD3 ARG A 58 -23.135 1.634 22.310 1.00 12.90 H new ATOM 0 HE ARG A 58 -23.378 0.196 24.546 1.00 13.80 H new ATOM 0 HH11 ARG A 58 -23.721 -0.225 21.287 1.00 16.50 H new ATOM 0 HH12 ARG A 58 -23.555 -1.706 21.301 1.00 16.50 H new ATOM 0 HH21 ARG A 58 -23.103 -2.029 24.557 1.00 18.03 H new ATOM 0 HH22 ARG A 58 -23.180 -2.800 23.284 1.00 18.03 H new ATOM 521 N ASN A 59 -25.087 5.167 26.043 1.00 11.81 N ATOM 522 CA ASN A 59 -25.793 4.827 27.271 1.00 13.02 C ATOM 523 C ASN A 59 -25.132 5.502 28.472 1.00 12.26 C ATOM 524 O ASN A 59 -24.811 4.852 29.465 1.00 11.97 O ATOM 525 CB ASN A 59 -25.853 3.299 27.453 1.00 14.14 C ATOM 526 CG ASN A 59 -26.799 2.865 28.558 1.00 14.49 C ATOM 527 OD1 ASN A 59 -27.753 3.716 28.891 1.00 18.97 O flip ATOM 528 ND2 ASN A 59 -26.652 1.764 29.124 1.00 12.85 N flip ATOM 0 H ASN A 59 -25.578 5.560 25.456 1.00 11.81 H new ATOM 0 HA ASN A 59 -26.703 5.156 27.208 1.00 13.02 H new ATOM 0 HB2 ASN A 59 -26.131 2.890 26.618 1.00 14.14 H new ATOM 0 HB3 ASN A 59 -24.963 2.967 27.649 1.00 14.14 H new ATOM 0 HD21 ASN A 59 -26.019 1.236 28.879 1.00 12.85 H new ATOM 0 HD22 ASN A 59 -27.184 1.533 29.759 1.00 12.85 H new ATOM 529 N THR A 60 -24.902 6.805 28.379 1.00 12.25 N ATOM 530 CA THR A 60 -24.381 7.508 29.541 1.00 11.45 C ATOM 531 C THR A 60 -25.455 7.600 30.631 1.00 12.49 C ATOM 532 O THR A 60 -26.631 7.885 30.360 1.00 12.66 O ATOM 533 CB THR A 60 -23.844 8.903 29.195 1.00 13.38 C ATOM 534 OG1 THR A 60 -24.937 9.757 28.826 1.00 13.14 O ATOM 535 CG2 THR A 60 -22.817 8.821 28.068 1.00 15.53 C ATOM 0 H THR A 60 -25.035 7.286 27.679 1.00 12.25 H new ATOM 0 HA THR A 60 -23.629 6.993 29.873 1.00 11.45 H new ATOM 0 HB THR A 60 -23.400 9.275 29.973 1.00 13.38 H new ATOM 0 HG1 THR A 60 -25.558 9.293 28.502 1.00 13.14 H new ATOM 0 HG21 THR A 60 -22.489 9.711 27.863 1.00 15.53 H new ATOM 0 HG22 THR A 60 -22.076 8.260 28.345 1.00 15.53 H new ATOM 0 HG23 THR A 60 -23.232 8.440 27.278 1.00 15.53 H new ATOM 536 N GLN A 61 -25.048 7.322 31.862 1.00 11.36 N ATOM 537 CA GLN A 61 -25.956 7.333 33.004 1.00 11.36 C ATOM 538 C GLN A 61 -25.265 7.850 34.249 1.00 11.79 C ATOM 539 O GLN A 61 -24.047 7.755 34.391 1.00 12.62 O ATOM 540 CB GLN A 61 -26.447 5.914 33.301 1.00 11.76 C ATOM 541 CG GLN A 61 -27.281 5.305 32.188 1.00 13.00 C ATOM 542 CD GLN A 61 -27.644 3.866 32.464 1.00 17.47 C ATOM 543 OE1 GLN A 61 -26.792 2.986 32.437 1.00 13.99 O ATOM 544 NE2 GLN A 61 -28.920 3.616 32.727 1.00 24.49 N ATOM 0 H GLN A 61 -24.236 7.121 32.061 1.00 11.36 H new ATOM 0 HA GLN A 61 -26.698 7.914 32.776 1.00 11.36 H new ATOM 0 HB2 GLN A 61 -25.680 5.344 33.467 1.00 11.76 H new ATOM 0 HB3 GLN A 61 -26.972 5.927 34.116 1.00 11.76 H new ATOM 0 HG2 GLN A 61 -28.092 5.824 32.074 1.00 13.00 H new ATOM 0 HG3 GLN A 61 -26.790 5.358 31.353 1.00 13.00 H new ATOM 0 HE21 GLN A 61 -29.491 4.259 32.738 1.00 24.49 H new ATOM 0 HE22 GLN A 61 -29.176 2.811 32.887 1.00 24.49 H new ATOM 545 N LEU A 62 -26.060 8.364 35.175 1.00 13.99 N ATOM 546 CA LEU A 62 -25.559 8.654 36.502 1.00 11.93 C ATOM 547 C LEU A 62 -25.688 7.383 37.314 1.00 14.07 C ATOM 548 O LEU A 62 -26.773 6.799 37.401 1.00 17.58 O ATOM 549 CB LEU A 62 -26.359 9.791 37.132 1.00 14.39 C ATOM 550 CG LEU A 62 -25.991 10.144 38.577 1.00 16.66 C ATOM 551 CD1 LEU A 62 -24.659 10.859 38.605 1.00 16.83 C ATOM 552 CD2 LEU A 62 -27.072 11.000 39.242 1.00 19.16 C ATOM 0 H LEU A 62 -26.891 8.551 35.053 1.00 13.99 H new ATOM 0 HA LEU A 62 -24.633 8.940 36.470 1.00 11.93 H new ATOM 0 HB2 LEU A 62 -26.248 10.584 36.585 1.00 14.39 H new ATOM 0 HB3 LEU A 62 -27.300 9.556 37.104 1.00 14.39 H new ATOM 0 HG LEU A 62 -25.924 9.318 39.082 1.00 16.66 H new ATOM 0 HD11 LEU A 62 -24.430 11.081 39.521 1.00 16.83 H new ATOM 0 HD12 LEU A 62 -23.974 10.283 38.231 1.00 16.83 H new ATOM 0 HD13 LEU A 62 -24.717 11.673 38.081 1.00 16.83 H new ATOM 0 HD21 LEU A 62 -26.808 11.205 40.153 1.00 19.16 H new ATOM 0 HD22 LEU A 62 -27.183 11.825 38.745 1.00 19.16 H new ATOM 0 HD23 LEU A 62 -27.911 10.513 39.251 1.00 19.16 H new ATOM 553 N ALA A 63 -24.574 6.943 37.871 1.00 13.35 N ATOM 554 CA ALA A 63 -24.529 5.782 38.750 1.00 14.64 C ATOM 555 C ALA A 63 -24.364 6.306 40.167 1.00 17.10 C ATOM 556 O ALA A 63 -23.431 7.054 40.454 1.00 15.47 O ATOM 557 CB ALA A 63 -23.363 4.879 38.355 1.00 18.69 C ATOM 0 H ALA A 63 -23.808 7.314 37.749 1.00 13.35 H new ATOM 0 HA ALA A 63 -25.339 5.252 38.682 1.00 14.64 H new ATOM 0 HB1 ALA A 63 -23.337 4.108 38.943 1.00 18.69 H new ATOM 0 HB2 ALA A 63 -23.479 4.583 37.439 1.00 18.69 H new ATOM 0 HB3 ALA A 63 -22.531 5.372 38.432 1.00 18.69 H new ATOM 558 N GLY A 64 -25.293 5.942 41.044 1.00 17.00 N ATOM 559 CA GLY A 64 -25.250 6.422 42.417 1.00 17.42 C ATOM 560 C GLY A 64 -25.411 7.933 42.485 1.00 14.36 C ATOM 561 O GLY A 64 -26.233 8.519 41.776 1.00 18.28 O ATOM 0 H GLY A 64 -25.953 5.421 40.864 1.00 17.00 H new ATOM 0 HA2 GLY A 64 -25.954 5.997 42.932 1.00 17.42 H new ATOM 0 HA3 GLY A 64 -24.407 6.167 42.824 1.00 17.42 H new ATOM 562 N SER A 65 -24.617 8.561 43.341 1.00 14.26 N ATOM 563 CA SER A 65 -24.731 10.000 43.519 1.00 14.41 C ATOM 564 C SER A 65 -23.709 10.784 42.714 1.00 14.27 C ATOM 565 O SER A 65 -23.882 11.979 42.535 1.00 13.59 O ATOM 566 CB SER A 65 -24.593 10.360 44.999 1.00 16.38 C ATOM 567 OG SER A 65 -23.452 9.735 45.540 1.00 19.14 O ATOM 0 H SER A 65 -24.015 8.180 43.822 1.00 14.26 H new ATOM 0 HA SER A 65 -25.609 10.248 43.190 1.00 14.41 H new ATOM 0 HB2 SER A 65 -24.523 11.322 45.101 1.00 16.38 H new ATOM 0 HB3 SER A 65 -25.385 10.080 45.483 1.00 16.38 H new ATOM 0 HG SER A 65 -23.033 10.283 46.020 1.00 19.14 H new ATOM 568 N SER A 66 -22.649 10.137 42.232 1.00 12.05 N ATOM 569 CA SER A 66 -21.563 10.919 41.633 1.00 13.36 C ATOM 570 C SER A 66 -20.817 10.290 40.462 1.00 12.02 C ATOM 571 O SER A 66 -19.881 10.906 39.950 1.00 12.79 O ATOM 572 CB SER A 66 -20.547 11.288 42.707 1.00 14.47 C ATOM 573 OG SER A 66 -19.777 10.150 43.058 1.00 14.66 O ATOM 0 H SER A 66 -22.538 9.284 42.239 1.00 12.05 H new ATOM 0 HA SER A 66 -22.017 11.689 41.256 1.00 13.36 H new ATOM 0 HB2 SER A 66 -19.966 11.994 42.384 1.00 14.47 H new ATOM 0 HB3 SER A 66 -21.004 11.633 43.490 1.00 14.47 H new ATOM 0 HG SER A 66 -19.006 10.221 42.731 1.00 14.66 H new ATOM 574 N GLU A 67 -21.200 9.088 40.048 1.00 12.12 N ATOM 575 CA GLU A 67 -20.442 8.392 39.008 1.00 12.68 C ATOM 576 C GLU A 67 -21.084 8.571 37.639 1.00 12.20 C ATOM 577 O GLU A 67 -22.301 8.486 37.483 1.00 14.08 O ATOM 578 CB GLU A 67 -20.341 6.895 39.313 1.00 17.50 C ATOM 579 CG GLU A 67 -19.692 6.554 40.640 1.00 21.15 C ATOM 580 CD GLU A 67 -18.198 6.301 40.543 1.00 23.46 C ATOM 581 OE1 GLU A 67 -17.680 6.094 39.425 1.00 23.74 O ATOM 582 OE2 GLU A 67 -17.538 6.283 41.606 1.00 26.13 O ATOM 0 H GLU A 67 -21.884 8.661 40.349 1.00 12.12 H new ATOM 0 HA GLU A 67 -19.554 8.783 38.997 1.00 12.68 H new ATOM 0 HB2 GLU A 67 -21.233 6.515 39.297 1.00 17.50 H new ATOM 0 HB3 GLU A 67 -19.838 6.467 38.603 1.00 17.50 H new ATOM 0 HG2 GLU A 67 -19.849 7.280 41.264 1.00 21.15 H new ATOM 0 HG3 GLU A 67 -20.122 5.766 41.008 1.00 21.15 H new ATOM 583 N LEU A 68 -20.249 8.822 36.644 1.00 10.66 N ATOM 584 CA LEU A 68 -20.691 8.756 35.257 1.00 11.71 C ATOM 585 C LEU A 68 -20.358 7.362 34.735 1.00 10.68 C ATOM 586 O LEU A 68 -19.206 6.945 34.771 1.00 11.71 O ATOM 587 CB LEU A 68 -19.955 9.807 34.420 1.00 12.34 C ATOM 588 CG LEU A 68 -20.004 9.647 32.896 1.00 11.59 C ATOM 589 CD1 LEU A 68 -21.401 9.834 32.357 1.00 13.87 C ATOM 590 CD2 LEU A 68 -19.057 10.622 32.207 1.00 13.86 C ATOM 0 H LEU A 68 -19.422 9.033 36.748 1.00 10.66 H new ATOM 0 HA LEU A 68 -21.643 8.930 35.197 1.00 11.71 H new ATOM 0 HB2 LEU A 68 -20.319 10.678 34.643 1.00 12.34 H new ATOM 0 HB3 LEU A 68 -19.024 9.811 34.692 1.00 12.34 H new ATOM 0 HG LEU A 68 -19.719 8.740 32.703 1.00 11.59 H new ATOM 0 HD11 LEU A 68 -21.393 9.726 31.393 1.00 13.87 H new ATOM 0 HD12 LEU A 68 -21.991 9.173 32.751 1.00 13.87 H new ATOM 0 HD13 LEU A 68 -21.718 10.723 32.580 1.00 13.87 H new ATOM 0 HD21 LEU A 68 -19.108 10.499 31.246 1.00 13.86 H new ATOM 0 HD22 LEU A 68 -19.310 11.531 32.430 1.00 13.86 H new ATOM 0 HD23 LEU A 68 -18.149 10.457 32.506 1.00 13.86 H new ATOM 591 N ALA A 69 -21.372 6.644 34.276 1.00 10.14 N ATOM 592 CA ALA A 69 -21.176 5.319 33.686 1.00 10.58 C ATOM 593 C ALA A 69 -21.510 5.381 32.205 1.00 10.47 C ATOM 594 O ALA A 69 -22.373 6.162 31.789 1.00 11.27 O ATOM 595 CB ALA A 69 -22.060 4.282 34.378 1.00 10.33 C ATOM 0 H ALA A 69 -22.191 6.905 34.295 1.00 10.14 H new ATOM 0 HA ALA A 69 -20.251 5.053 33.804 1.00 10.58 H new ATOM 0 HB1 ALA A 69 -21.916 3.412 33.974 1.00 10.33 H new ATOM 0 HB2 ALA A 69 -21.834 4.241 35.320 1.00 10.33 H new ATOM 0 HB3 ALA A 69 -22.992 4.533 34.280 1.00 10.33 H new ATOM 596 N ALA A 70 -20.824 4.577 31.404 1.00 10.09 N ATOM 597 CA ALA A 70 -21.131 4.472 29.983 1.00 11.56 C ATOM 598 C ALA A 70 -20.570 3.183 29.432 1.00 11.63 C ATOM 599 O ALA A 70 -19.852 2.460 30.117 1.00 11.61 O ATOM 600 CB ALA A 70 -20.579 5.662 29.201 1.00 11.30 C ATOM 0 H ALA A 70 -20.172 4.080 31.665 1.00 10.09 H new ATOM 0 HA ALA A 70 -22.096 4.475 29.883 1.00 11.56 H new ATOM 0 HB1 ALA A 70 -20.799 5.562 28.262 1.00 11.30 H new ATOM 0 HB2 ALA A 70 -20.971 6.482 29.540 1.00 11.30 H new ATOM 0 HB3 ALA A 70 -19.615 5.698 29.304 1.00 11.30 H new ATOM 601 N GLU A 71 -20.939 2.883 28.200 1.00 10.64 N ATOM 602 CA GLU A 71 -20.341 1.781 27.472 1.00 11.33 C ATOM 603 C GLU A 71 -19.548 2.432 26.350 1.00 11.13 C ATOM 604 O GLU A 71 -20.102 3.208 25.574 1.00 12.21 O ATOM 605 CB GLU A 71 -21.450 0.883 26.925 1.00 12.97 C ATOM 606 CG GLU A 71 -22.290 0.216 28.035 1.00 13.94 C ATOM 607 CD GLU A 71 -23.705 -0.142 27.599 1.00 16.68 C ATOM 608 OE1 GLU A 71 -23.983 -0.177 26.386 1.00 16.56 O ATOM 609 OE2 GLU A 71 -24.563 -0.372 28.481 1.00 16.48 O ATOM 0 H GLU A 71 -21.542 3.312 27.762 1.00 10.64 H new ATOM 0 HA GLU A 71 -19.769 1.224 28.023 1.00 11.33 H new ATOM 0 HB2 GLU A 71 -22.034 1.409 26.357 1.00 12.97 H new ATOM 0 HB3 GLU A 71 -21.056 0.194 26.367 1.00 12.97 H new ATOM 0 HG2 GLU A 71 -21.838 -0.589 28.332 1.00 13.94 H new ATOM 0 HG3 GLU A 71 -22.336 0.813 28.798 1.00 13.94 H new ATOM 610 N ACYS A 72 -18.243 2.187 26.304 0.60 11.58 N ATOM 611 N BCYS A 72 -18.273 2.069 26.249 0.40 11.66 N ATOM 612 CA ACYS A 72 -17.377 2.876 25.352 0.60 12.24 C ATOM 613 CA BCYS A 72 -17.289 2.801 25.459 0.40 12.40 C ATOM 614 C ACYS A 72 -16.657 1.900 24.436 0.60 12.80 C ATOM 615 C BCYS A 72 -16.575 1.888 24.457 0.40 12.83 C ATOM 616 O ACYS A 72 -16.337 0.775 24.824 0.60 12.32 O ATOM 617 O BCYS A 72 -16.182 0.773 24.806 0.40 12.22 O ATOM 618 CB ACYS A 72 -16.358 3.760 26.073 0.60 14.11 C ATOM 619 CB BCYS A 72 -16.275 3.410 26.426 0.40 15.36 C ATOM 620 SG ACYS A 72 -17.069 5.110 27.047 0.60 11.33 S ATOM 621 SG BCYS A 72 -15.023 4.448 25.687 0.40 25.08 S ATOM 0 H ACYS A 72 -17.839 1.626 26.815 0.60 11.66 H new ATOM 0 H BCYS A 72 -17.950 1.377 26.645 0.40 11.66 H new ATOM 0 HA ACYS A 72 -17.950 3.438 24.806 0.60 12.40 H new ATOM 0 HA BCYS A 72 -17.738 3.491 24.946 0.40 12.40 H new ATOM 0 HB2ACYS A 72 -15.824 3.202 26.660 0.60 15.36 H new ATOM 0 HB2BCYS A 72 -16.756 3.933 27.086 0.40 15.36 H new ATOM 0 HB3ACYS A 72 -15.754 4.138 25.414 0.60 15.36 H new ATOM 0 HB3BCYS A 72 -15.834 2.689 26.902 0.40 15.36 H new ATOM 0 HG BCYS A 72 -15.485 5.532 25.459 0.40 25.08 H new ATOM 622 N LYS A 73 -16.392 2.363 23.223 1.00 13.81 N ATOM 623 CA LYS A 73 -15.805 1.536 22.183 1.00 15.39 C ATOM 624 C LYS A 73 -14.297 1.396 22.339 1.00 15.61 C ATOM 625 O LYS A 73 -13.572 2.388 22.444 1.00 18.58 O ATOM 626 CB LYS A 73 -16.124 2.135 20.815 1.00 17.58 C ATOM 627 CG LYS A 73 -15.612 1.305 19.647 1.00 21.46 C ATOM 628 CD LYS A 73 -15.859 2.008 18.311 1.00 26.64 C ATOM 629 CE LYS A 73 -17.338 2.049 17.983 1.00 26.47 C ATOM 630 NZ LYS A 73 -17.585 2.412 16.551 1.00 31.73 N ATOM 0 H ALYS A 73 -16.549 3.173 22.979 0.60 13.81 H new ATOM 0 H BLYS A 73 -16.602 3.159 22.974 0.40 13.81 H new ATOM 0 HA LYS A 73 -16.190 0.649 22.262 1.00 15.39 H new ATOM 0 HB2 LYS A 73 -17.085 2.237 20.732 1.00 17.58 H new ATOM 0 HB3 LYS A 73 -15.739 3.024 20.763 1.00 17.58 H new ATOM 0 HG2 LYS A 73 -14.662 1.140 19.757 1.00 21.46 H new ATOM 0 HG3 LYS A 73 -16.052 0.440 19.645 1.00 21.46 H new ATOM 0 HD2 LYS A 73 -15.507 2.911 18.347 1.00 26.64 H new ATOM 0 HD3 LYS A 73 -15.381 1.546 17.605 1.00 26.64 H new ATOM 0 HE2 LYS A 73 -17.734 1.183 18.169 1.00 26.47 H new ATOM 0 HE3 LYS A 73 -17.779 2.693 18.560 1.00 26.47 H new ATOM 0 HZ1 LYS A 73 -18.461 2.426 16.395 1.00 31.73 H new ATOM 0 HZ2 LYS A 73 -17.241 3.216 16.385 1.00 31.73 H new ATOM 0 HZ3 LYS A 73 -17.200 1.810 16.021 1.00 31.73 H new ATOM 631 N THR A 74 -13.821 0.157 22.344 1.00 16.51 N ATOM 632 CA THR A 74 -12.388 -0.106 22.391 1.00 17.75 C ATOM 633 C THR A 74 -11.776 0.051 20.997 1.00 20.74 C ATOM 634 O THR A 74 -12.487 0.143 19.992 1.00 20.71 O ATOM 635 CB THR A 74 -12.099 -1.535 22.874 1.00 17.57 C ATOM 636 OG1 THR A 74 -12.554 -2.462 21.880 1.00 19.97 O ATOM 637 CG2 THR A 74 -12.808 -1.819 24.197 1.00 18.03 C ATOM 0 H THR A 74 -14.313 -0.548 22.321 1.00 16.51 H new ATOM 0 HA THR A 74 -11.999 0.532 23.010 1.00 17.75 H new ATOM 0 HB THR A 74 -11.144 -1.631 23.014 1.00 17.57 H new ATOM 0 HG1 THR A 74 -13.385 -2.562 21.950 1.00 19.97 H new ATOM 0 HG21 THR A 74 -12.611 -2.725 24.482 1.00 18.03 H new ATOM 0 HG22 THR A 74 -12.498 -1.194 24.871 1.00 18.03 H new ATOM 0 HG23 THR A 74 -13.766 -1.718 24.079 1.00 18.03 H new ATOM 638 N ALA A 75 -10.449 0.073 20.940 1.00 26.28 N ATOM 639 CA ALA A 75 -9.756 0.133 19.657 1.00 32.85 C ATOM 640 C ALA A 75 -10.142 -1.059 18.782 1.00 28.38 C ATOM 641 O ALA A 75 -10.167 -0.957 17.554 1.00 31.26 O ATOM 642 CB ALA A 75 -8.251 0.181 19.868 1.00 32.89 C ATOM 0 H ALA A 75 -9.933 0.054 21.628 1.00 26.28 H new ATOM 0 HA ALA A 75 -10.026 0.945 19.199 1.00 32.85 H new ATOM 0 HB1 ALA A 75 -7.805 0.221 19.008 1.00 32.89 H new ATOM 0 HB2 ALA A 75 -8.022 0.968 20.387 1.00 32.89 H new ATOM 0 HB3 ALA A 75 -7.965 -0.615 20.344 1.00 32.89 H new ATOM 643 N ALA A 76 -10.448 -2.185 19.420 1.00 25.16 N ATOM 644 CA ALA A 76 -10.862 -3.393 18.709 1.00 24.01 C ATOM 645 C ALA A 76 -12.295 -3.306 18.162 1.00 28.25 C ATOM 646 O ALA A 76 -12.672 -4.067 17.270 1.00 31.59 O ATOM 647 CB ALA A 76 -10.698 -4.615 19.603 1.00 30.94 C ATOM 0 H ALA A 76 -10.422 -2.271 20.275 1.00 25.16 H new ATOM 0 HA ALA A 76 -10.280 -3.480 17.938 1.00 24.01 H new ATOM 0 HB1 ALA A 76 -10.976 -5.409 19.120 1.00 30.94 H new ATOM 0 HB2 ALA A 76 -9.768 -4.704 19.863 1.00 30.94 H new ATOM 0 HB3 ALA A 76 -11.246 -4.511 20.397 1.00 30.94 H new ATOM 648 N GLY A 77 -13.092 -2.382 18.694 1.00 22.27 N ATOM 649 CA GLY A 77 -14.409 -2.110 18.137 1.00 20.72 C ATOM 650 C GLY A 77 -15.592 -2.545 18.991 1.00 20.45 C ATOM 651 O GLY A 77 -16.750 -2.334 18.623 1.00 24.99 O ATOM 0 H GLY A 77 -12.886 -1.903 19.378 1.00 22.27 H new ATOM 0 HA2 GLY A 77 -14.482 -1.157 17.975 1.00 20.72 H new ATOM 0 HA3 GLY A 77 -14.474 -2.550 17.275 1.00 20.72 H new ATOM 652 N GLN A 78 -15.310 -3.157 20.133 1.00 19.98 N ATOM 653 CA GLN A 78 -16.367 -3.637 21.012 1.00 20.63 C ATOM 654 C GLN A 78 -16.651 -2.606 22.096 1.00 16.99 C ATOM 655 O GLN A 78 -15.760 -1.857 22.504 1.00 16.27 O ATOM 656 CB GLN A 78 -15.955 -4.954 21.666 1.00 25.56 C ATOM 657 CG GLN A 78 -15.262 -4.769 22.996 1.00 31.74 C ATOM 658 CD GLN A 78 -14.202 -5.812 23.261 1.00 42.99 C ATOM 659 OE1 GLN A 78 -14.594 -6.894 23.924 1.00 43.69 O flip ATOM 660 NE2 GLN A 78 -13.037 -5.642 22.892 1.00 37.70 N flip ATOM 0 H GLN A 78 -14.512 -3.305 20.418 1.00 19.98 H new ATOM 0 HA GLN A 78 -17.167 -3.780 20.482 1.00 20.63 H new ATOM 0 HB2 GLN A 78 -16.743 -5.505 21.793 1.00 25.56 H new ATOM 0 HB3 GLN A 78 -15.365 -5.436 21.065 1.00 25.56 H new ATOM 0 HG2 GLN A 78 -14.856 -3.889 23.023 1.00 31.74 H new ATOM 0 HG3 GLN A 78 -15.922 -4.799 23.706 1.00 31.74 H new ATOM 0 HE21 GLN A 78 -12.821 -4.928 22.465 1.00 37.70 H new ATOM 0 HE22 GLN A 78 -12.441 -6.238 23.062 1.00 37.70 H new ATOM 661 N PHE A 79 -17.892 -2.577 22.563 1.00 15.32 N ATOM 662 CA PHE A 79 -18.268 -1.684 23.647 1.00 13.22 C ATOM 663 C PHE A 79 -18.078 -2.387 24.979 1.00 14.38 C ATOM 664 O PHE A 79 -18.526 -3.524 25.160 1.00 17.03 O ATOM 665 CB PHE A 79 -19.713 -1.209 23.468 1.00 16.62 C ATOM 666 CG PHE A 79 -19.852 -0.144 22.429 1.00 14.98 C ATOM 667 CD1 PHE A 79 -19.934 -0.479 21.081 1.00 17.80 C ATOM 668 CD2 PHE A 79 -19.839 1.194 22.780 1.00 15.53 C ATOM 669 CE1 PHE A 79 -20.027 0.512 20.101 1.00 19.15 C ATOM 670 CE2 PHE A 79 -19.941 2.183 21.816 1.00 18.10 C ATOM 671 CZ PHE A 79 -20.032 1.845 20.475 1.00 18.44 C ATOM 0 H PHE A 79 -18.532 -3.068 22.265 1.00 15.32 H new ATOM 0 HA PHE A 79 -17.696 -0.900 23.632 1.00 13.22 H new ATOM 0 HB2 PHE A 79 -20.269 -1.966 23.225 1.00 16.62 H new ATOM 0 HB3 PHE A 79 -20.045 -0.873 24.315 1.00 16.62 H new ATOM 0 HD1 PHE A 79 -19.927 -1.374 20.829 1.00 17.80 H new ATOM 0 HD2 PHE A 79 -19.761 1.433 23.675 1.00 15.53 H new ATOM 0 HE1 PHE A 79 -20.085 0.278 19.203 1.00 19.15 H new ATOM 0 HE2 PHE A 79 -19.948 3.078 22.070 1.00 18.10 H new ATOM 0 HZ PHE A 79 -20.096 2.511 19.829 1.00 18.44 H new ATOM 672 N VAL A 80 -17.372 -1.722 25.888 1.00 11.74 N ATOM 673 CA VAL A 80 -17.154 -2.254 27.228 1.00 12.18 C ATOM 674 C VAL A 80 -17.647 -1.265 28.274 1.00 11.83 C ATOM 675 O VAL A 80 -17.742 -0.074 28.003 1.00 12.68 O ATOM 676 CB VAL A 80 -15.669 -2.590 27.487 1.00 12.78 C ATOM 677 CG1 VAL A 80 -15.181 -3.644 26.504 1.00 15.62 C ATOM 678 CG2 VAL A 80 -14.803 -1.351 27.391 1.00 13.69 C ATOM 0 H VAL A 80 -17.008 -0.956 25.747 1.00 11.74 H new ATOM 0 HA VAL A 80 -17.659 -3.079 27.294 1.00 12.18 H new ATOM 0 HB VAL A 80 -15.598 -2.942 28.388 1.00 12.78 H new ATOM 0 HG11 VAL A 80 -14.248 -3.843 26.680 1.00 15.62 H new ATOM 0 HG12 VAL A 80 -15.709 -4.451 26.606 1.00 15.62 H new ATOM 0 HG13 VAL A 80 -15.275 -3.310 25.598 1.00 15.62 H new ATOM 0 HG21 VAL A 80 -13.878 -1.589 27.557 1.00 13.69 H new ATOM 0 HG22 VAL A 80 -14.883 -0.968 26.504 1.00 13.69 H new ATOM 0 HG23 VAL A 80 -15.093 -0.701 28.051 1.00 13.69 H new ATOM 679 N SER A 81 -17.949 -1.758 29.469 1.00 10.17 N ATOM 680 CA SER A 81 -18.397 -0.904 30.557 1.00 10.36 C ATOM 681 C SER A 81 -17.265 -0.103 31.166 1.00 11.57 C ATOM 682 O SER A 81 -16.171 -0.614 31.404 1.00 12.99 O ATOM 683 CB SER A 81 -19.011 -1.753 31.661 1.00 10.68 C ATOM 684 OG SER A 81 -20.145 -2.441 31.169 1.00 15.21 O ATOM 0 H SER A 81 -17.900 -2.593 29.670 1.00 10.17 H new ATOM 0 HA SER A 81 -19.046 -0.290 30.180 1.00 10.36 H new ATOM 0 HB2 SER A 81 -18.357 -2.388 31.993 1.00 10.68 H new ATOM 0 HB3 SER A 81 -19.264 -1.190 32.409 1.00 10.68 H new ATOM 0 HG SER A 81 -20.843 -2.080 31.467 1.00 15.21 H new ATOM 685 N THR A 82 -17.551 1.153 31.472 1.00 9.90 N ATOM 686 CA THR A 82 -16.578 2.022 32.108 1.00 10.96 C ATOM 687 C THR A 82 -17.315 3.014 33.009 1.00 11.06 C ATOM 688 O THR A 82 -18.510 3.253 32.841 1.00 11.20 O ATOM 689 CB THR A 82 -15.678 2.733 31.066 1.00 12.07 C ATOM 690 OG1 THR A 82 -14.725 3.584 31.721 1.00 13.40 O ATOM 691 CG2 THR A 82 -16.507 3.544 30.076 1.00 13.73 C ATOM 0 H THR A 82 -18.311 1.524 31.317 1.00 9.90 H new ATOM 0 HA THR A 82 -15.979 1.489 32.654 1.00 10.96 H new ATOM 0 HB THR A 82 -15.203 2.047 30.572 1.00 12.07 H new ATOM 0 HG1 THR A 82 -14.244 3.961 31.145 1.00 13.40 H new ATOM 0 HG21 THR A 82 -15.918 3.976 29.438 1.00 13.73 H new ATOM 0 HG22 THR A 82 -17.116 2.955 29.605 1.00 13.73 H new ATOM 0 HG23 THR A 82 -17.015 4.218 30.555 1.00 13.73 H new ATOM 692 N LYS A 83 -16.612 3.564 33.987 1.00 10.92 N ATOM 693 CA LYS A 83 -17.205 4.593 34.828 1.00 11.11 C ATOM 694 C LYS A 83 -16.106 5.500 35.338 1.00 10.57 C ATOM 695 O LYS A 83 -14.930 5.155 35.286 1.00 12.22 O ATOM 696 CB LYS A 83 -17.971 3.968 35.995 1.00 13.28 C ATOM 697 CG LYS A 83 -17.088 3.275 37.033 1.00 12.79 C ATOM 698 CD LYS A 83 -17.933 2.473 38.020 1.00 16.05 C ATOM 699 CE LYS A 83 -17.102 1.855 39.131 1.00 18.62 C ATOM 700 NZ LYS A 83 -16.619 2.863 40.119 1.00 19.83 N ATOM 0 H LYS A 83 -15.799 3.359 34.180 1.00 10.92 H new ATOM 0 HA LYS A 83 -17.838 5.110 34.306 1.00 11.11 H new ATOM 0 HB2 LYS A 83 -18.487 4.661 36.436 1.00 13.28 H new ATOM 0 HB3 LYS A 83 -18.604 3.323 35.643 1.00 13.28 H new ATOM 0 HG2 LYS A 83 -16.459 2.686 36.587 1.00 12.79 H new ATOM 0 HG3 LYS A 83 -16.566 3.937 37.512 1.00 12.79 H new ATOM 0 HD2 LYS A 83 -18.607 3.052 38.409 1.00 16.05 H new ATOM 0 HD3 LYS A 83 -18.403 1.771 37.543 1.00 16.05 H new ATOM 0 HE2 LYS A 83 -17.631 1.185 39.591 1.00 18.62 H new ATOM 0 HE3 LYS A 83 -16.340 1.397 38.743 1.00 18.62 H new ATOM 0 HZ1 LYS A 83 -16.057 2.474 40.689 1.00 19.83 H new ATOM 0 HZ2 LYS A 83 -16.199 3.521 39.691 1.00 19.83 H new ATOM 0 HZ3 LYS A 83 -17.312 3.196 40.567 1.00 19.83 H new ATOM 701 N ILE A 84 -16.500 6.684 35.788 1.00 10.30 N ATOM 702 CA ILE A 84 -15.542 7.644 36.308 1.00 10.07 C ATOM 703 C ILE A 84 -16.268 8.433 37.399 1.00 9.60 C ATOM 704 O ILE A 84 -17.444 8.765 37.251 1.00 11.23 O ATOM 705 CB ILE A 84 -15.012 8.551 35.174 1.00 10.21 C ATOM 706 CG1 ILE A 84 -13.838 9.418 35.658 1.00 13.16 C ATOM 707 CG2 ILE A 84 -16.127 9.394 34.572 1.00 12.62 C ATOM 708 CD1 ILE A 84 -13.108 10.130 34.510 1.00 13.28 C ATOM 0 H ILE A 84 -17.318 6.950 35.800 1.00 10.30 H new ATOM 0 HA ILE A 84 -14.760 7.208 36.682 1.00 10.07 H new ATOM 0 HB ILE A 84 -14.675 7.977 34.468 1.00 10.21 H new ATOM 0 HG12 ILE A 84 -14.168 10.080 36.285 1.00 13.16 H new ATOM 0 HG13 ILE A 84 -13.207 8.860 36.140 1.00 13.16 H new ATOM 0 HG21 ILE A 84 -15.766 9.951 33.865 1.00 12.62 H new ATOM 0 HG22 ILE A 84 -16.812 8.812 34.206 1.00 12.62 H new ATOM 0 HG23 ILE A 84 -16.515 9.957 35.260 1.00 12.62 H new ATOM 0 HD11 ILE A 84 -12.380 10.661 34.869 1.00 13.28 H new ATOM 0 HD12 ILE A 84 -12.753 9.471 33.893 1.00 13.28 H new ATOM 0 HD13 ILE A 84 -13.729 10.709 34.041 1.00 13.28 H new ATOM 709 N ASN A 85 -15.582 8.697 38.509 1.00 11.02 N ATOM 710 CA ASN A 85 -16.206 9.408 39.614 1.00 11.15 C ATOM 711 C ASN A 85 -16.156 10.918 39.399 1.00 10.90 C ATOM 712 O ASN A 85 -15.084 11.526 39.485 1.00 10.71 O ATOM 713 CB ASN A 85 -15.540 9.033 40.936 1.00 11.60 C ATOM 714 CG ASN A 85 -16.319 9.522 42.124 1.00 14.65 C ATOM 715 OD1 ASN A 85 -17.221 10.344 42.003 1.00 12.37 O ATOM 716 ND2 ASN A 85 -15.987 8.995 43.295 1.00 18.02 N ATOM 0 H ASN A 85 -14.762 8.474 38.639 1.00 11.02 H new ATOM 0 HA ASN A 85 -17.138 9.143 39.650 1.00 11.15 H new ATOM 0 HB2 ASN A 85 -15.447 8.069 40.987 1.00 11.60 H new ATOM 0 HB3 ASN A 85 -14.645 9.406 40.962 1.00 11.60 H new ATOM 0 HD21 ASN A 85 -16.410 9.228 44.007 1.00 18.02 H new ATOM 0 HD22 ASN A 85 -15.349 8.421 43.343 1.00 18.02 H new ATOM 717 N LEU A 86 -17.309 11.516 39.109 1.00 10.78 N ATOM 718 CA LEU A 86 -17.349 12.948 38.825 1.00 11.15 C ATOM 719 C LEU A 86 -16.905 13.761 40.034 1.00 9.92 C ATOM 720 O LEU A 86 -16.446 14.893 39.880 1.00 11.59 O ATOM 721 CB LEU A 86 -18.734 13.385 38.363 1.00 11.35 C ATOM 722 CG LEU A 86 -19.173 12.711 37.063 1.00 9.76 C ATOM 723 CD1 LEU A 86 -20.577 13.196 36.733 1.00 14.33 C ATOM 724 CD2 LEU A 86 -18.222 13.007 35.909 1.00 12.87 C ATOM 0 H LEU A 86 -18.070 11.117 39.072 1.00 10.78 H new ATOM 0 HA LEU A 86 -16.726 13.117 38.101 1.00 11.15 H new ATOM 0 HB2 LEU A 86 -19.379 13.184 39.059 1.00 11.35 H new ATOM 0 HB3 LEU A 86 -18.739 14.347 38.240 1.00 11.35 H new ATOM 0 HG LEU A 86 -19.161 11.749 37.188 1.00 9.76 H new ATOM 0 HD11 LEU A 86 -20.878 12.781 35.910 1.00 14.33 H new ATOM 0 HD12 LEU A 86 -21.180 12.957 37.454 1.00 14.33 H new ATOM 0 HD13 LEU A 86 -20.569 14.160 36.624 1.00 14.33 H new ATOM 0 HD21 LEU A 86 -18.537 12.562 35.107 1.00 12.87 H new ATOM 0 HD22 LEU A 86 -18.188 13.964 35.755 1.00 12.87 H new ATOM 0 HD23 LEU A 86 -17.334 12.684 36.130 1.00 12.87 H new ATOM 725 N ASP A 87 -17.026 13.184 41.230 1.00 9.80 N ATOM 726 CA ASP A 87 -16.512 13.849 42.433 1.00 10.97 C ATOM 727 C ASP A 87 -14.994 14.106 42.399 1.00 10.74 C ATOM 728 O ASP A 87 -14.473 14.898 43.199 1.00 11.59 O ATOM 729 CB ASP A 87 -16.867 13.058 43.700 1.00 11.95 C ATOM 730 CG ASP A 87 -18.218 13.443 44.286 1.00 12.24 C ATOM 731 OD1 ASP A 87 -18.779 14.498 43.926 1.00 12.88 O ATOM 732 OD2 ASP A 87 -18.715 12.660 45.123 1.00 14.93 O ATOM 0 H ASP A 87 -17.396 12.420 41.368 1.00 9.80 H new ATOM 0 HA ASP A 87 -16.949 14.715 42.451 1.00 10.97 H new ATOM 0 HB2 ASP A 87 -16.869 12.110 43.493 1.00 11.95 H new ATOM 0 HB3 ASP A 87 -16.178 13.201 44.368 1.00 11.95 H new ATOM 733 N ASP A 88 -14.272 13.467 41.479 1.00 10.31 N ATOM 734 CA ASP A 88 -12.825 13.706 41.369 1.00 11.38 C ATOM 735 C ASP A 88 -12.528 15.161 40.992 1.00 11.85 C ATOM 736 O ASP A 88 -11.513 15.728 41.407 1.00 12.25 O ATOM 737 CB ASP A 88 -12.184 12.836 40.282 1.00 11.77 C ATOM 738 CG ASP A 88 -12.211 11.342 40.582 1.00 11.55 C ATOM 739 OD1 ASP A 88 -12.560 10.910 41.703 1.00 14.00 O ATOM 740 OD2 ASP A 88 -11.883 10.593 39.637 1.00 13.63 O ATOM 0 H ASP A 88 -14.590 12.900 40.916 1.00 10.31 H new ATOM 0 HA ASP A 88 -12.457 13.489 42.240 1.00 11.38 H new ATOM 0 HB2 ASP A 88 -12.642 12.995 39.442 1.00 11.77 H new ATOM 0 HB3 ASP A 88 -11.263 13.115 40.160 1.00 11.77 H new ATOM 741 N HIS A 89 -13.387 15.766 40.182 1.00 10.30 N ATOM 742 CA HIS A 89 -13.048 17.049 39.577 1.00 9.79 C ATOM 743 C HIS A 89 -14.201 18.028 39.456 1.00 12.03 C ATOM 744 O HIS A 89 -13.976 19.182 39.107 1.00 14.21 O ATOM 745 CB HIS A 89 -12.430 16.858 38.188 1.00 10.57 C ATOM 746 CG HIS A 89 -11.022 16.354 38.214 1.00 12.28 C ATOM 747 ND1 HIS A 89 -9.946 17.188 38.463 1.00 15.78 N ATOM 748 CD2 HIS A 89 -10.508 15.126 38.011 1.00 12.78 C ATOM 749 CE1 HIS A 89 -8.833 16.480 38.413 1.00 14.57 C ATOM 750 NE2 HIS A 89 -9.140 15.223 38.152 1.00 14.32 N ATOM 0 H HIS A 89 -14.161 15.457 39.971 1.00 10.30 H new ATOM 0 HA HIS A 89 -12.410 17.438 40.196 1.00 9.79 H new ATOM 0 HB2 HIS A 89 -12.977 16.236 37.683 1.00 10.57 H new ATOM 0 HB3 HIS A 89 -12.452 17.704 37.715 1.00 10.57 H new ATOM 0 HD1 HIS A 89 -9.995 18.031 38.624 1.00 15.78 H new ATOM 0 HD2 HIS A 89 -10.988 14.354 37.812 1.00 12.78 H new ATOM 0 HE1 HIS A 89 -7.974 16.812 38.541 1.00 14.57 H new ATOM 751 N ILE A 90 -15.431 17.602 39.723 1.00 10.42 N ATOM 752 CA ILE A 90 -16.568 18.520 39.626 1.00 10.45 C ATOM 753 C ILE A 90 -16.935 18.998 41.021 1.00 10.63 C ATOM 754 O ILE A 90 -17.194 18.197 41.918 1.00 10.34 O ATOM 755 CB ILE A 90 -17.797 17.868 38.950 1.00 10.43 C ATOM 756 CG1 ILE A 90 -17.402 17.246 37.608 1.00 11.66 C ATOM 757 CG2 ILE A 90 -18.916 18.883 38.796 1.00 11.24 C ATOM 758 CD1 ILE A 90 -16.730 18.210 36.649 1.00 12.74 C ATOM 0 H ILE A 90 -15.630 16.799 39.959 1.00 10.42 H new ATOM 0 HA ILE A 90 -16.303 19.268 39.068 1.00 10.45 H new ATOM 0 HB ILE A 90 -18.127 17.153 39.516 1.00 10.43 H new ATOM 0 HG12 ILE A 90 -16.804 16.500 37.772 1.00 11.66 H new ATOM 0 HG13 ILE A 90 -18.196 16.885 37.184 1.00 11.66 H new ATOM 0 HG21 ILE A 90 -19.679 18.461 38.371 1.00 11.24 H new ATOM 0 HG22 ILE A 90 -19.175 19.215 39.670 1.00 11.24 H new ATOM 0 HG23 ILE A 90 -18.609 19.622 38.248 1.00 11.24 H new ATOM 0 HD11 ILE A 90 -16.510 17.747 35.826 1.00 12.74 H new ATOM 0 HD12 ILE A 90 -17.332 18.946 36.455 1.00 12.74 H new ATOM 0 HD13 ILE A 90 -15.918 18.555 37.052 1.00 12.74 H new ATOM 759 N ALA A 91 -16.905 20.311 41.186 1.00 10.65 N ATOM 760 CA ALA A 91 -17.124 20.957 42.475 1.00 10.20 C ATOM 761 C ALA A 91 -18.396 21.783 42.465 1.00 10.20 C ATOM 762 O ALA A 91 -18.808 22.306 41.421 1.00 11.03 O ATOM 763 CB ALA A 91 -15.940 21.852 42.825 1.00 11.62 C ATOM 0 H ALA A 91 -16.755 20.863 40.544 1.00 10.65 H new ATOM 0 HA ALA A 91 -17.213 20.260 43.144 1.00 10.20 H new ATOM 0 HB1 ALA A 91 -16.097 22.276 43.683 1.00 11.62 H new ATOM 0 HB2 ALA A 91 -15.132 21.317 42.872 1.00 11.62 H new ATOM 0 HB3 ALA A 91 -15.836 22.534 42.143 1.00 11.62 H new ATOM 764 N ASN A 92 -19.002 21.899 43.638 1.00 9.77 N ATOM 765 CA ASN A 92 -20.035 22.892 43.886 1.00 10.71 C ATOM 766 C ASN A 92 -19.365 24.183 44.366 1.00 11.01 C ATOM 767 O ASN A 92 -18.914 24.268 45.517 1.00 11.70 O ATOM 768 CB ASN A 92 -21.022 22.379 44.937 1.00 11.07 C ATOM 769 CG ASN A 92 -21.951 23.467 45.420 1.00 9.99 C ATOM 770 OD1 ASN A 92 -22.060 24.510 44.774 1.00 11.71 O ATOM 771 ND2 ASN A 92 -22.610 23.242 46.553 1.00 11.66 N ATOM 0 H ASN A 92 -18.824 21.401 44.316 1.00 9.77 H new ATOM 0 HA ASN A 92 -20.530 23.064 43.070 1.00 10.71 H new ATOM 0 HB2 ASN A 92 -21.544 21.652 44.562 1.00 11.07 H new ATOM 0 HB3 ASN A 92 -20.531 22.016 45.691 1.00 11.07 H new ATOM 0 HD21 ASN A 92 -23.142 23.840 46.867 1.00 11.66 H new ATOM 0 HD22 ASN A 92 -22.504 22.498 46.972 1.00 11.66 H new ATOM 772 N ILE A 93 -19.238 25.155 43.471 1.00 11.79 N ATOM 773 CA ILE A 93 -18.697 26.462 43.851 1.00 13.14 C ATOM 774 C ILE A 93 -19.858 27.434 44.044 1.00 13.03 C ATOM 775 O ILE A 93 -20.442 27.935 43.076 1.00 13.57 O ATOM 776 CB ILE A 93 -17.701 27.010 42.808 1.00 14.83 C ATOM 777 CG1 ILE A 93 -16.626 25.974 42.461 1.00 17.36 C ATOM 778 CG2 ILE A 93 -17.056 28.297 43.321 1.00 20.11 C ATOM 779 CD1 ILE A 93 -15.688 25.705 43.572 1.00 18.67 C ATOM 0 H ILE A 93 -19.457 25.083 42.642 1.00 11.79 H new ATOM 0 HA ILE A 93 -18.201 26.360 44.679 1.00 13.14 H new ATOM 0 HB ILE A 93 -18.195 27.205 41.996 1.00 14.83 H new ATOM 0 HG12 ILE A 93 -17.057 25.144 42.203 1.00 17.36 H new ATOM 0 HG13 ILE A 93 -16.124 26.284 41.691 1.00 17.36 H new ATOM 0 HG21 ILE A 93 -16.432 28.633 42.658 1.00 20.11 H new ATOM 0 HG22 ILE A 93 -17.744 28.962 43.483 1.00 20.11 H new ATOM 0 HG23 ILE A 93 -16.582 28.115 44.147 1.00 20.11 H new ATOM 0 HD11 ILE A 93 -15.035 25.045 43.292 1.00 18.67 H new ATOM 0 HD12 ILE A 93 -15.233 26.526 43.817 1.00 18.67 H new ATOM 0 HD13 ILE A 93 -16.180 25.368 44.337 1.00 18.67 H new ATOM 780 N ASP A 94 -20.212 27.654 45.304 1.00 13.09 N ATOM 781 CA ASP A 94 -21.304 28.551 45.694 1.00 13.65 C ATOM 782 C ASP A 94 -22.563 28.353 44.845 1.00 12.89 C ATOM 783 O ASP A 94 -23.168 29.325 44.369 1.00 15.29 O ATOM 784 CB ASP A 94 -20.845 30.015 45.671 1.00 16.26 C ATOM 785 CG ASP A 94 -21.859 30.969 46.301 1.00 19.37 C ATOM 786 OD1 ASP A 94 -22.655 30.552 47.164 1.00 18.51 O ATOM 787 OD2 ASP A 94 -21.849 32.161 45.926 1.00 26.97 O ATOM 0 H ASP A 94 -19.819 27.281 45.972 1.00 13.09 H new ATOM 0 HA ASP A 94 -21.546 28.319 46.604 1.00 13.65 H new ATOM 0 HB2 ASP A 94 -20.001 30.091 46.142 1.00 16.26 H new ATOM 0 HB3 ASP A 94 -20.683 30.283 44.753 1.00 16.26 H new ATOM 788 N GLY A 95 -22.959 27.099 44.669 1.00 11.65 N ATOM 789 CA GLY A 95 -24.209 26.781 44.003 1.00 12.94 C ATOM 790 C GLY A 95 -24.111 26.457 42.527 1.00 12.63 C ATOM 791 O GLY A 95 -25.118 26.109 41.923 1.00 14.39 O ATOM 0 H GLY A 95 -22.512 26.413 44.932 1.00 11.65 H new ATOM 0 HA2 GLY A 95 -24.613 26.024 44.456 1.00 12.94 H new ATOM 0 HA3 GLY A 95 -24.813 27.532 44.112 1.00 12.94 H new ATOM 792 N THR A 96 -22.917 26.543 41.944 1.00 10.76 N ATOM 793 CA THR A 96 -22.746 26.288 40.517 1.00 13.14 C ATOM 794 C THR A 96 -21.700 25.208 40.300 1.00 11.30 C ATOM 795 O THR A 96 -20.645 25.226 40.928 1.00 11.60 O ATOM 796 CB THR A 96 -22.324 27.564 39.768 1.00 12.26 C ATOM 797 OG1 THR A 96 -23.378 28.529 39.869 1.00 17.11 O ATOM 798 CG2 THR A 96 -22.047 27.270 38.300 1.00 16.05 C ATOM 0 H THR A 96 -22.192 26.748 42.359 1.00 10.76 H new ATOM 0 HA THR A 96 -23.600 25.992 40.166 1.00 13.14 H new ATOM 0 HB THR A 96 -21.510 27.907 40.168 1.00 12.26 H new ATOM 0 HG1 THR A 96 -23.493 28.735 40.675 1.00 17.11 H new ATOM 0 HG21 THR A 96 -21.783 28.088 37.850 1.00 16.05 H new ATOM 0 HG22 THR A 96 -21.332 26.618 38.230 1.00 16.05 H new ATOM 0 HG23 THR A 96 -22.849 26.916 37.884 1.00 16.05 H new ATOM 799 N LEU A 97 -22.002 24.261 39.420 1.00 11.00 N ATOM 800 CA LEU A 97 -21.064 23.184 39.084 1.00 10.92 C ATOM 801 C LEU A 97 -19.901 23.705 38.262 1.00 10.91 C ATOM 802 O LEU A 97 -20.110 24.357 37.240 1.00 12.42 O ATOM 803 CB LEU A 97 -21.777 22.093 38.297 1.00 10.93 C ATOM 804 CG LEU A 97 -22.881 21.325 39.017 1.00 9.67 C ATOM 805 CD1 LEU A 97 -23.626 20.444 38.022 1.00 12.52 C ATOM 806 CD2 LEU A 97 -22.331 20.511 40.182 1.00 11.62 C ATOM 0 H LEU A 97 -22.751 24.220 39.000 1.00 11.00 H new ATOM 0 HA LEU A 97 -20.722 22.822 39.916 1.00 10.92 H new ATOM 0 HB2 LEU A 97 -22.160 22.497 37.502 1.00 10.93 H new ATOM 0 HB3 LEU A 97 -21.112 21.454 37.998 1.00 10.93 H new ATOM 0 HG LEU A 97 -23.506 21.964 39.395 1.00 9.67 H new ATOM 0 HD11 LEU A 97 -24.327 19.957 38.482 1.00 12.52 H new ATOM 0 HD12 LEU A 97 -24.019 20.998 37.330 1.00 12.52 H new ATOM 0 HD13 LEU A 97 -23.007 19.815 37.619 1.00 12.52 H new ATOM 0 HD21 LEU A 97 -23.057 20.037 40.617 1.00 11.62 H new ATOM 0 HD22 LEU A 97 -21.680 19.872 39.852 1.00 11.62 H new ATOM 0 HD23 LEU A 97 -21.906 21.105 40.820 1.00 11.62 H new ATOM 807 N LYS A 98 -18.684 23.419 38.716 1.00 10.78 N ATOM 808 CA LYS A 98 -17.481 23.854 38.018 1.00 12.12 C ATOM 809 C LYS A 98 -16.449 22.757 38.003 1.00 11.37 C ATOM 810 O LYS A 98 -16.301 22.018 38.976 1.00 11.80 O ATOM 811 CB LYS A 98 -16.886 25.103 38.665 1.00 15.12 C ATOM 812 CG LYS A 98 -17.827 26.309 38.647 1.00 17.00 C ATOM 813 CD LYS A 98 -17.145 27.603 39.017 1.00 34.80 C ATOM 814 CE LYS A 98 -18.069 28.786 38.750 1.00 32.74 C ATOM 815 NZ LYS A 98 -18.341 28.963 37.295 1.00 35.48 N ATOM 0 H LYS A 98 -18.534 22.970 39.434 1.00 10.78 H new ATOM 0 HA LYS A 98 -17.735 24.067 37.107 1.00 12.12 H new ATOM 0 HB2 LYS A 98 -16.649 24.901 39.584 1.00 15.12 H new ATOM 0 HB3 LYS A 98 -16.064 25.336 38.205 1.00 15.12 H new ATOM 0 HG2 LYS A 98 -18.214 26.396 37.762 1.00 17.00 H new ATOM 0 HG3 LYS A 98 -18.559 26.149 39.262 1.00 17.00 H new ATOM 0 HD2 LYS A 98 -16.893 27.587 39.954 1.00 34.80 H new ATOM 0 HD3 LYS A 98 -16.327 27.702 38.505 1.00 34.80 H new ATOM 0 HE2 LYS A 98 -18.906 28.654 39.221 1.00 32.74 H new ATOM 0 HE3 LYS A 98 -17.668 29.595 39.104 1.00 32.74 H new ATOM 0 HZ1 LYS A 98 -18.597 29.801 37.140 1.00 35.48 H new ATOM 0 HZ2 LYS A 98 -17.602 28.788 36.831 1.00 35.48 H new ATOM 0 HZ3 LYS A 98 -18.987 28.405 37.044 1.00 35.48 H new ATOM 816 N TYR A 99 -15.753 22.648 36.880 1.00 12.59 N ATOM 817 CA TYR A 99 -14.616 21.752 36.775 1.00 12.50 C ATOM 818 C TYR A 99 -13.412 22.367 37.462 1.00 14.90 C ATOM 819 O TYR A 99 -13.141 23.565 37.309 1.00 17.29 O ATOM 820 CB TYR A 99 -14.248 21.510 35.304 1.00 14.06 C ATOM 821 CG TYR A 99 -13.112 20.534 35.166 1.00 13.31 C ATOM 822 CD1 TYR A 99 -13.355 19.180 35.069 1.00 12.11 C ATOM 823 CD2 TYR A 99 -11.787 20.960 35.196 1.00 19.65 C ATOM 824 CE1 TYR A 99 -12.333 18.279 34.970 1.00 14.24 C ATOM 825 CE2 TYR A 99 -10.741 20.047 35.099 1.00 20.74 C ATOM 826 CZ TYR A 99 -11.034 18.706 34.983 1.00 16.26 C ATOM 827 OH TYR A 99 -10.030 17.766 34.889 1.00 21.50 O ATOM 0 H TYR A 99 -15.926 23.089 36.162 1.00 12.59 H new ATOM 0 HA TYR A 99 -14.859 20.912 37.195 1.00 12.50 H new ATOM 0 HB2 TYR A 99 -15.023 21.174 34.828 1.00 14.06 H new ATOM 0 HB3 TYR A 99 -14.003 22.352 34.889 1.00 14.06 H new ATOM 0 HD1 TYR A 99 -14.233 18.874 35.071 1.00 12.11 H new ATOM 0 HD2 TYR A 99 -11.598 21.867 35.282 1.00 19.65 H new ATOM 0 HE1 TYR A 99 -12.521 17.372 34.893 1.00 14.24 H new ATOM 0 HE2 TYR A 99 -9.858 20.338 35.112 1.00 20.74 H new ATOM 0 HH TYR A 99 -9.283 18.150 34.907 1.00 21.50 H new ATOM 828 N GLU A 100 -12.679 21.555 38.209 1.00 14.35 N ATOM 829 CA GLU A 100 -11.367 21.971 38.679 1.00 20.21 C ATOM 830 C GLU A 100 -10.393 20.814 38.614 1.00 19.97 C ATOM 831 O GLU A 100 -9.238 20.998 38.238 1.00 21.86 O ATOM 832 CB GLU A 100 -11.455 22.510 40.091 1.00 22.62 C ATOM 833 CG GLU A 100 -12.204 21.610 41.010 1.00 21.13 C ATOM 834 CD GLU A 100 -12.338 22.188 42.395 1.00 17.46 C ATOM 835 OE1 GLU A 100 -12.290 23.428 42.550 1.00 20.90 O ATOM 836 OE2 GLU A 100 -12.482 21.404 43.335 1.00 16.49 O ATOM 837 OXT GLU A 100 -10.737 19.673 38.930 0.50 20.62 O ATOM 0 H GLU A 100 -12.919 20.766 38.453 1.00 14.35 H new ATOM 0 HA GLU A 100 -11.044 22.680 38.101 1.00 20.21 H new ATOM 0 HB2 GLU A 100 -10.559 22.645 40.437 1.00 22.62 H new ATOM 0 HB3 GLU A 100 -11.886 23.379 40.074 1.00 22.62 H new ATOM 0 HG2 GLU A 100 -13.087 21.442 40.646 1.00 21.13 H new ATOM 0 HG3 GLU A 100 -11.750 20.754 41.062 1.00 21.13 H new TER 838 GLU A 100 HETATM 839 NA NA A 221 -26.209 6.870 23.361 1.00 27.10 NA HETATM 840 NA NA A 222 -12.357 23.731 45.336 1.00 24.57 NA HETATM 841 P PO4 A 223 -8.547 15.246 5.438 1.00 30.05 P HETATM 842 O1 PO4 A 223 -7.080 15.336 5.078 1.00 37.37 O HETATM 843 O2 PO4 A 223 -9.348 16.048 4.438 1.00 22.94 O HETATM 844 O3 PO4 A 223 -8.988 13.800 5.408 1.00 38.36 O HETATM 845 O4 PO4 A 223 -8.739 15.800 6.834 1.00 30.29 O HETATM 846 P PO4 A 224 -6.303 28.543 29.660 1.00 28.19 P HETATM 847 O1 PO4 A 224 -5.515 27.979 28.494 1.00 23.12 O HETATM 848 O2 PO4 A 224 -5.746 27.963 30.943 1.00 34.71 O HETATM 849 O3 PO4 A 224 -7.769 28.199 29.532 1.00 35.08 O HETATM 850 O4 PO4 A 224 -6.151 30.045 29.712 1.00 43.99 O HETATM 851 O HOH A 101 -10.076 29.505 21.912 1.00 21.66 O HETATM 852 O HOH A 102 -27.736 9.836 28.431 1.00 14.38 O HETATM 853 O HOH A 103 -25.807 13.673 43.348 1.00 13.76 O HETATM 854 O HOH A 104 -9.047 25.742 6.282 1.00 11.47 O HETATM 855 O HOH A 105 -12.825 8.093 39.075 1.00 15.18 O HETATM 856 O HOH A 106 -0.575 32.886 19.959 1.00 13.83 O HETATM 857 O HOH A 107 -7.191 26.928 4.289 1.00 15.51 O HETATM 858 O HOH A 108 -8.342 40.824 13.065 0.50 14.16 O HETATM 859 O HOH A 109 -28.929 8.381 34.413 1.00 15.72 O HETATM 860 O HOH A 110 -4.134 12.168 17.682 1.00 19.00 O HETATM 861 O HOH A 111 -23.847 8.526 22.891 1.00 18.26 O HETATM 862 O HOH A 112 5.410 31.026 17.017 1.00 17.14 O HETATM 863 O HOH A 113 -28.916 8.939 31.601 1.00 18.54 O HETATM 864 O HOH A 114 -4.291 24.002 -0.964 1.00 16.53 O HETATM 865 O HOH A 115 -18.656 23.206 48.087 1.00 17.39 O HETATM 866 O HOH A 116 -10.644 32.067 16.412 1.00 17.57 O HETATM 867 O HOH A 117 -14.246 -2.276 30.882 1.00 17.52 O HETATM 868 O HOH A 118 0.807 29.196 6.263 1.00 14.96 O HETATM 869 O HOH A 119 -6.041 17.830 6.950 1.00 17.88 O HETATM 870 O HOH A 120 -20.161 7.935 19.077 1.00 22.09 O HETATM 871 O HOH A 121 -12.950 4.495 23.734 1.00 21.24 O HETATM 872 O HOH A 122 -2.881 32.487 -0.202 1.00 17.54 O HETATM 873 O HOH A 123 -5.733 40.773 9.924 1.00 18.73 O HETATM 874 O HOH A 124 -28.490 6.351 28.807 1.00 18.34 O HETATM 875 O HOH A 125 -24.377 -0.321 31.065 1.00 18.82 O HETATM 876 O HOH A 126 -18.296 -5.884 26.539 1.00 22.19 O HETATM 877 O HOH A 127 -13.439 31.617 3.333 1.00 17.36 O HETATM 878 O HOH A 128 -0.818 33.942 22.552 1.00 18.61 O HETATM 879 O HOH A 129 -10.623 26.384 21.967 1.00 20.30 O HETATM 880 O HOH A 130 -22.745 1.515 31.565 1.00 23.19 O HETATM 881 O HOH A 131 -10.869 32.036 2.626 1.00 18.09 O HETATM 882 O HOH A 132 2.139 13.211 18.486 1.00 18.55 O HETATM 883 O HOH A 133 -7.353 13.128 38.107 1.00 23.06 O HETATM 884 O HOH A 134 -0.630 39.615 10.809 1.00 19.58 O HETATM 885 O HOH A 135 -8.666 25.277 25.188 1.00 19.40 O HETATM 886 O HOH A 136 -22.017 7.392 43.154 1.00 22.52 O HETATM 887 O HOH A 137 -22.377 -1.565 32.168 1.00 22.21 O HETATM 888 O HOH A 138 6.391 11.082 21.989 1.00 18.13 O HETATM 889 O HOH A 139 -7.153 19.408 37.819 1.00 20.97 O HETATM 890 O HOH A 140 -17.437 10.270 45.576 1.00 20.21 O HETATM 891 O HOH A 141 -1.282 30.845 1.208 1.00 19.32 O HETATM 892 O HOH A 142 -7.587 42.760 5.093 1.00 25.14 O HETATM 893 O HOH A 143 -24.264 3.538 31.854 1.00 18.62 O HETATM 894 O HOH A 144 -9.640 29.643 2.612 1.00 17.83 O HETATM 895 O HOH A 145 -19.984 -4.399 21.447 1.00 25.18 O HETATM 896 O HOH A 146 -1.375 12.564 17.448 1.00 21.97 O HETATM 897 O HOH A 147 -19.090 25.196 34.759 1.00 20.71 O HETATM 898 O HOH A 148 -4.141 39.399 17.481 1.00 22.61 O HETATM 899 O HOH A 149 -21.379 -3.310 28.806 1.00 22.30 O HETATM 900 O HOH A 150 -11.084 6.867 37.290 1.00 22.09 O HETATM 901 O HOH A 151 -9.577 35.448 18.207 1.00 21.27 O HETATM 902 O HOH A 152 4.704 33.590 11.210 1.00 24.29 O HETATM 903 O HOH A 153 -13.184 11.742 44.257 1.00 18.97 O HETATM 904 O HOH A 154 3.110 41.585 9.390 1.00 26.48 O HETATM 905 O HOH A 155 -9.312 14.595 42.574 1.00 25.53 O HETATM 906 O HOH A 156 -0.504 37.981 14.855 1.00 21.66 O HETATM 907 O HOH A 157 -26.585 0.258 25.728 1.00 23.61 O HETATM 908 O HOH A 158 1.169 8.019 23.721 1.00 26.31 O HETATM 909 O HOH A 159 -5.807 37.152 17.471 1.00 22.76 O HETATM 910 O HOH A 160 -13.062 6.155 41.025 1.00 27.42 O HETATM 911 O HOH A 161 5.783 32.154 14.480 1.00 21.02 O HETATM 912 O HOH A 162 1.197 34.862 19.167 1.00 23.65 O HETATM 913 O HOH A 163 -7.931 25.909 1.816 1.00 23.53 O HETATM 914 O HOH A 164 -22.511 -4.750 22.675 1.00 25.06 O HETATM 915 O HOH A 165 -1.700 39.547 16.391 1.00 24.20 O HETATM 916 O HOH A 166 2.693 36.155 14.160 1.00 23.84 O HETATM 917 O HOH A 167 -17.898 31.692 2.338 1.00 24.51 O HETATM 918 O HOH A 168 -11.864 8.333 42.486 1.00 28.17 O HETATM 919 O HOH A 169 -7.825 21.561 0.051 1.00 25.95 O HETATM 920 O HOH A 170 -15.788 22.941 32.330 1.00 26.19 O HETATM 921 O HOH A 171 4.005 35.013 19.191 1.00 26.64 O HETATM 922 O HOH A 172 -11.259 30.627 19.456 1.00 27.85 O HETATM 923 O HOH A 173 -21.730 -2.755 26.223 1.00 27.22 O HETATM 924 O HOH A 174 -13.148 22.926 31.793 1.00 27.91 O HETATM 925 O HOH A 175 2.221 38.906 14.186 1.00 27.17 O HETATM 926 O HOH A 176 -3.549 21.356 0.319 1.00 26.59 O HETATM 927 O HOH A 177 -15.877 37.300 3.565 1.00 26.68 O HETATM 928 O HOH A 178 -11.517 37.626 14.859 1.00 27.49 O HETATM 929 O HOH A 179 -0.014 40.968 8.378 1.00 30.99 O HETATM 930 O HOH A 180 -13.455 4.441 37.525 1.00 29.80 O HETATM 931 O HOH A 181 -30.734 5.744 31.198 1.00 33.04 O HETATM 932 O HOH A 182 -19.522 3.091 41.333 1.00 28.74 O HETATM 933 O HOH A 183 -0.240 10.305 30.060 1.00 33.02 O HETATM 934 O HOH A 184 -1.405 22.233 4.289 1.00 25.03 O HETATM 935 O HOH A 185 -22.592 3.895 42.208 1.00 29.84 O HETATM 936 O HOH A 186 -6.755 31.852 -1.933 1.00 23.49 O HETATM 937 O HOH A 187 -8.118 7.866 22.247 1.00 31.85 O HETATM 938 O HOH A 188 5.711 32.868 19.194 1.00 29.55 O HETATM 939 O HOH A 189 -10.855 40.070 15.735 1.00 29.64 O HETATM 940 O HOH A 190 -13.663 1.617 38.362 1.00 30.32 O HETATM 941 O HOH A 191 -5.220 9.553 22.445 1.00 28.24 O HETATM 942 O HOH A 192 4.797 11.631 19.788 1.00 22.09 O HETATM 943 O HOH A 193 -15.126 5.301 39.439 1.00 24.48 O HETATM 944 O HOH A 194 -12.256 14.935 25.886 1.00 20.73 O HETATM 945 O HOH A 195 -13.953 16.443 18.841 1.00 25.94 O HETATM 946 O HOH A 196 -20.725 9.522 16.973 1.00 16.32 O HETATM 947 O HOH A 197 -30.229 2.805 29.772 1.00 32.07 O HETATM 948 O HOH A 198 -21.781 11.131 47.279 1.00 22.05 O HETATM 949 O HOH A 199 -20.174 8.206 45.104 1.00 28.53 O HETATM 950 O HOH A 200 -6.730 11.648 22.820 1.00 23.70 O HETATM 951 O HOH A 201 -11.286 17.825 24.460 1.00 25.09 O HETATM 952 O HOH A 202 -7.538 34.135 11.585 1.00 12.18 O HETATM 953 O HOH A 203 -1.334 36.361 12.891 1.00 14.71 O HETATM 954 O HOH A 204 -10.412 15.815 26.913 1.00 25.03 O HETATM 955 O HOH A 205 -3.763 21.160 3.137 1.00 31.10 O HETATM 956 O HOH A 206 -11.834 35.944 17.081 1.00 28.40 O HETATM 957 O HOH A 207 -8.024 39.407 16.443 1.00 27.04 O HETATM 958 O HOH A 208 1.048 36.388 16.633 1.00 29.98 O HETATM 959 O HOH A 209 -12.843 33.171 17.420 1.00 27.58 O HETATM 960 O HOH A 210 -14.056 6.920 43.446 1.00 32.89 O HETATM 961 O HOH A 211 -19.397 27.955 34.962 1.00 40.06 O HETATM 962 O HOH A 212 -9.111 10.044 39.540 1.00 31.06 O HETATM 963 O HOH A 213 -16.407 24.415 34.640 1.00 17.27 O HETATM 964 O HOH A 214 -8.724 13.404 0.861 1.00 37.42 O HETATM 965 O HOH A 215 -8.214 16.211 2.181 1.00 31.05 O HETATM 966 O HOH A 216 -13.371 -7.343 26.188 1.00 33.96 O HETATM 967 O HOH A 217 -13.703 9.961 21.366 1.00 24.40 O HETATM 968 O HOH A 218 -24.466 29.841 42.047 1.00 24.16 O HETATM 969 O HOH A 219 -9.037 -3.148 22.027 1.00 34.66 O HETATM 970 O HOH A 220 -17.147 19.509 20.835 1.00 43.40 O HETATM 971 P PO4 A 225 -11.454 14.246 16.785 1.00 51.14 P HETATM 972 O1 PO4 A 225 -11.019 13.977 15.364 1.00 47.75 O HETATM 973 O2 PO4 A 225 -12.539 13.251 17.121 1.00 46.64 O HETATM 974 O3 PO4 A 225 -10.262 14.082 17.713 1.00 28.73 O HETATM 975 O4 PO4 A 225 -12.019 15.648 16.900 1.00 25.06 O CONECT 60 159 CONECT 159 60 CONECT 509 620 CONECT 620 509 CONECT 835 840 CONECT 836 840 CONECT 839 861 CONECT 840 835 836 CONECT 841 842 843 844 845 CONECT 842 841 CONECT 843 841 CONECT 844 841 CONECT 845 841 CONECT 846 847 848 849 850 CONECT 847 846 CONECT 848 846 CONECT 849 846 CONECT 850 846 CONECT 861 839 CONECT 971 972 973 974 975 CONECT 972 971 CONECT 973 971 CONECT 974 971 CONECT 975 971 END