USER MOD reduce.3.24.130724 H: found=0, std=0, add=1167, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 01-JUL-13 4LHR TITLE CRYSTAL STRUCTURE OF A DEOXYURIDINE 5'-TRIPHOSPHATE TITLE 2 NUCLEOTIDOHYDROLASE FROM BURKHOLDERIA THAILANDENSIS COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: DUTPASE, DUTP PYROPHOSPHATASE; COMPND 5 EC: 3.6.1.23; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; SOURCE 3 ORGANISM_TAXID: 271848; SOURCE 4 STRAIN: E264; SOURCE 5 GENE: BTH_I0767, DUT; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PBG1861 KEYWDS STRUCTURAL GENOMICS, NIAID, NATIONAL INSTITUTE OF ALLERGY AND KEYWDS 2 INFECTIOUS DISEASES, SEATTLE STRUCTURAL GENOMICS CENTER FOR KEYWDS 3 INFECTIOUS DISEASE, SSGCID, NUCLEOTIDE METABOLISM, PYRIMIDINE, KEYWDS 4 HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (SSGCID) REVDAT 1 07-AUG-13 4LHR 0 JRNL AUTH T.E.EDWARDS,J.ABENDROTH, JRNL AUTH 2 SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE JRNL TITL CRYSTAL STRUCTURE OF A DEOXYURIDINE 5'-TRIPHOSPHATE JRNL TITL 2 NUCLEOTIDOHYDROLASE FROM BURKHOLDERIA THAILANDENSIS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0032 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.78 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 33748 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.118 REMARK 3 R VALUE (WORKING SET) : 0.117 REMARK 3 FREE R VALUE : 0.135 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1778 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.50 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.54 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2466 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.1320 REMARK 3 BIN FREE R VALUE SET COUNT : 127 REMARK 3 BIN FREE R VALUE : 0.1440 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1006 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 13 REMARK 3 SOLVENT ATOMS : 163 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.15 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.06000 REMARK 3 B22 (A**2) : 0.06000 REMARK 3 B33 (A**2) : -0.18000 REMARK 3 B12 (A**2) : 0.06000 REMARK 3 B13 (A**2) : -0.00000 REMARK 3 B23 (A**2) : -0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.042 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.040 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.022 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.262 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.982 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.976 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1126 ; 0.008 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 1139 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1549 ; 1.387 ; 1.999 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2625 ; 0.736 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 159 ; 5.725 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 45 ;32.693 ;23.111 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 189 ;12.029 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 9 ;24.038 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 185 ; 0.087 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1277 ; 0.005 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 248 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 561 ; 1.556 ; 1.544 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 560 ; 1.457 ; 1.540 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 706 ; 2.019 ; 2.326 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 565 ; 2.173 ; 1.925 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): 2264 ; 2.262 ; 3.000 REMARK 3 SPHERICITY; FREE ATOMS (A**2): 50 ;30.540 ; 5.000 REMARK 3 SPHERICITY; BONDED ATOMS (A**2): 2345 ; 8.134 ; 5.000 REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A -1 A 132 REMARK 3 ORIGIN FOR THE GROUP (A): 30.7285 -27.7218 13.5647 REMARK 3 T TENSOR REMARK 3 T11: 0.0117 T22: 0.0274 REMARK 3 T33: 0.0158 T12: -0.0092 REMARK 3 T13: -0.0017 T23: 0.0175 REMARK 3 L TENSOR REMARK 3 L11: 0.4187 L22: 0.2594 REMARK 3 L33: 0.3233 L12: 0.1560 REMARK 3 L13: -0.0336 L23: -0.0055 REMARK 3 S TENSOR REMARK 3 S11: 0.0213 S12: 0.0157 S13: 0.0039 REMARK 3 S21: 0.0157 S22: 0.0314 S23: 0.0324 REMARK 3 S31: 0.0304 S32: -0.0857 S33: -0.0526 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 4LHR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-JUL-13. REMARK 100 THE RCSB ID CODE IS RCSB080645. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-JUN-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 21-ID-F REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97872 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RAYONIX MX-300 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 35545 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 15.300 REMARK 200 R MERGE (I) : 0.04700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 34.2700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.54 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.45400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.020 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 1EU5 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 63.10 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.33 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: BUTHA.00115.A.B1.PW37235 AT 35.5 MG/ML REMARK 280 AGAINST JCSG+ C6, 40% PEG 300, 0.1 M PHOSPHATE-CITRATE PH 4.2, REMARK 280 CRYSTAL TRACKING ID 242052C6, UNIQUE PUCK ID OZX5-6, VAPOR REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 63 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 -X+Y,-X,Z REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/2 REMARK 290 6555 X-Y,X,Z+1/2 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 0.00000 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 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 27.31000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 27.31000 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.31000 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: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 11140 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 15190 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -44.0 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 42.18000 REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 -73.05790 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 84.36000 REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -7 REMARK 465 ALA A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 HIS A -2 REMARK 465 ALA A 133 REMARK 465 GLN A 134 REMARK 465 SER A 135 REMARK 465 ASP A 136 REMARK 465 ARG A 137 REMARK 465 GLY A 138 REMARK 465 ALA A 139 REMARK 465 GLY A 140 REMARK 465 GLY A 141 REMARK 465 PHE A 142 REMARK 465 GLY A 143 REMARK 465 SER A 144 REMARK 465 THR A 145 REMARK 465 GLY A 146 REMARK 465 ARG A 147 REMARK 465 HIS A 148 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 HIS A -1 CG ND1 CD2 CE1 NE2 REMARK 470 LYS A 2 CG CD CE NZ REMARK 470 LYS A 18 CG CD CE NZ REMARK 470 ASP A 131 CG OD1 OD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OD2 ASP A 28 O HOH A 414 2.05 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 TYR A 15 38.57 -140.66 REMARK 500 ALA A 56 -43.84 76.57 REMARK 500 LEU A 81 -58.22 71.79 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PG4 A 201 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: BUTHA.00115.A RELATED DB: TARGETTRACK DBREF 4LHR A 1 148 UNP Q2T0H6 DUT_BURTA 1 148 SEQADV 4LHR MET A -7 UNP Q2T0H6 EXPRESSION TAG SEQADV 4LHR ALA A -6 UNP Q2T0H6 EXPRESSION TAG SEQADV 4LHR HIS A -5 UNP Q2T0H6 EXPRESSION TAG SEQADV 4LHR HIS A -4 UNP Q2T0H6 EXPRESSION TAG SEQADV 4LHR HIS A -3 UNP Q2T0H6 EXPRESSION TAG SEQADV 4LHR HIS A -2 UNP Q2T0H6 EXPRESSION TAG SEQADV 4LHR HIS A -1 UNP Q2T0H6 EXPRESSION TAG SEQADV 4LHR HIS A 0 UNP Q2T0H6 EXPRESSION TAG SEQRES 1 A 156 MET ALA HIS HIS HIS HIS HIS HIS MET LYS LEU ASP LEU SEQRES 2 A 156 LYS ILE LEU ASP ALA ARG MET ARG ASP TYR LEU PRO LYS SEQRES 3 A 156 TYR ALA THR THR GLY SER ALA GLY LEU ASP LEU ARG ALA SEQRES 4 A 156 CYS LEU ASP ALA PRO VAL THR LEU LYS PRO GLY ASP THR SEQRES 5 A 156 ALA LEU VAL PRO THR GLY LEU ALA ILE HIS LEU ALA ASP SEQRES 6 A 156 PRO GLY TYR ALA ALA LEU ILE LEU PRO ARG SER GLY LEU SEQRES 7 A 156 GLY HIS LYS HIS GLY ILE VAL LEU GLY ASN LEU VAL GLY SEQRES 8 A 156 LEU ILE ASP SER ASP TYR GLN GLY GLU LEU MET ILE SER SEQRES 9 A 156 THR TRP ASN ARG GLY GLN THR GLU PHE VAL LEU ASN PRO SEQRES 10 A 156 PHE GLU ARG LEU ALA GLN LEU VAL ILE VAL PRO VAL VAL SEQRES 11 A 156 GLN ALA THR PHE ASN ILE VAL GLY ASP PHE ALA GLN SER SEQRES 12 A 156 ASP ARG GLY ALA GLY GLY PHE GLY SER THR GLY ARG HIS HET PG4 A 201 13 HETNAM PG4 TETRAETHYLENE GLYCOL FORMUL 2 PG4 C8 H18 O5 FORMUL 3 HOH *163(H2 O) HELIX 1 1 ASP A 9 TYR A 15 5 7 HELIX 2 2 ARG A 67 GLY A 75 1 9 SHEET 1 A 4 ASP A 4 ILE A 7 0 SHEET 2 A 4 THR A 44 HIS A 54 -1 O ALA A 52 N LYS A 6 SHEET 3 A 4 GLU A 92 ASN A 99 -1 O THR A 97 N ALA A 45 SHEET 4 A 4 ILE A 76 LEU A 78 -1 N VAL A 77 O TRP A 98 SHEET 1 B 4 LEU A 27 ARG A 30 0 SHEET 2 B 4 ARG A 112 PRO A 120 -1 O LEU A 113 N LEU A 29 SHEET 3 B 4 TYR A 60 PRO A 66 -1 N LEU A 63 O VAL A 117 SHEET 4 B 4 GLY A 83 ILE A 85 -1 O ILE A 85 N ALA A 62 SHEET 1 C 2 VAL A 37 LEU A 39 0 SHEET 2 C 2 PHE A 105 LEU A 107 -1 O PHE A 105 N LEU A 39 SITE *** AC1 6 SER A 68 ASN A 80 GLY A 83 MET A 94 SITE *** AC1 6 SER A 96 HOH A 376 CRYST1 84.360 84.360 54.620 90.00 90.00 120.00 P 63 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 0.011854 0.006844 0.000000 0.00000 SCALE2 0.000000 0.013688 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018308 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 80 ASN : amide:sc= 1.82 K(o=3.3,f=-2.1!) USER MOD Set 1.2: A 201 PG4 O5 : rot 101:sc= 1.44 USER MOD Set 2.1: A 21 THR OG1 : rot -37:sc= 0.409 USER MOD Set 2.2: A 24 SER OG : rot -29:sc= 1.79 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.047 (180deg=-0.653) USER MOD Single : A 6 LYS NZ A:NH3+ 170:sc= 1.64 (180deg=1.51) USER MOD Single : A 6 LYS NZ B:NH3+ -167:sc= 0.877 (180deg=0.756) USER MOD Single : A -1 HIS N :NH3+ -118:sc= 0.0384 (180deg=0) USER MOD Single : A 12 MET CE :methyl -177:sc= -0.0895 (180deg=-0.103) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 13:sc= 1.31 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 90:sc= 0.0535 USER MOD Single : A 38 THR OG1 : rot 78:sc= 0.561 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -23:sc= 1.01 USER MOD Single : A 49 THR OG1 : rot -88:sc= 1.23 USER MOD Single : A 54 HIS : no HE2:sc= 2.25 K(o=2.2,f=-7.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG A: rot -69:sc= 0.161 USER MOD Single : A 68 SER OG B: rot 13:sc= 0.837 USER MOD Single : A 72 HIS : no HE2:sc= 1.29 K(o=1.3,f=-2.5!) USER MOD Single : A 73 LYS NZ A:NH3+ 179:sc= 1.26 (180deg=1.26) USER MOD Single : A 73 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 1.26 K(o=1.3,f=-3.7!) USER MOD Single : A 87 SER OG : rot 95:sc= 0.981 USER MOD Single : A 89 TYR OH : rot 180:sc= 1.64 USER MOD Single : A 90 GLN : amide:sc= 0.373 X(o=0.37,f=0) USER MOD Single : A 94 MET CE :methyl -157:sc= -0.138 (180deg=-0.919) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 97 THR OG1 : rot 100:sc= -0.231 USER MOD Single : A 99 ASN : amide:sc= 1.57 K(o=1.6,f=-4!) USER MOD Single : A 102 GLN : amide:sc= 0.722 X(o=0.72,f=0.99) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.0489 K(o=-0.049,f=-0.84) USER MOD Single : A 115 GLN : amide:sc= 1.78 X(o=1.8,f=1.6) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 201 PG4 O1 : rot -72:sc= 0.49 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -1 37.530 -31.743 32.040 1.00 45.31 N ANISOU 1 N HIS A -1 5890 5822 5505 -213 -116 210 N ATOM 2 CA HIS A -1 36.289 -31.377 32.789 1.00 41.50 C ANISOU 2 CA HIS A -1 5406 5368 4993 -233 -87 213 C ATOM 3 C HIS A -1 35.006 -31.773 32.039 1.00 38.41 C ANISOU 3 C HIS A -1 5004 4974 4615 -236 -73 224 C ATOM 4 O HIS A -1 35.052 -32.217 30.880 1.00 33.65 O ANISOU 4 O HIS A -1 4396 4348 4044 -222 -83 225 O ATOM 5 CB HIS A -1 36.272 -29.869 33.085 1.00 43.32 C ANISOU 5 CB HIS A -1 5630 5618 5213 -227 -54 181 C ATOM 0 H1 HIS A -1 38.004 -32.326 32.517 1.00 45.31 H new ATOM 0 H2 HIS A -1 37.309 -32.109 31.260 1.00 45.31 H new ATOM 0 H3 HIS A -1 38.017 -31.012 31.897 1.00 45.31 H new ATOM 0 HA HIS A -1 36.305 -31.877 33.620 1.00 41.50 H new ATOM 6 N HIS A 0 33.878 -31.634 32.739 1.00 43.61 N ANISOU 6 N HIS A 0 5661 5660 5250 -256 -49 231 N ATOM 7 CA HIS A 0 32.538 -31.736 32.152 1.00 38.95 C ANISOU 7 CA HIS A 0 5054 5075 4668 -260 -29 237 C ATOM 8 C HIS A 0 31.798 -30.406 32.333 1.00 39.69 C ANISOU 8 C HIS A 0 5132 5194 4755 -253 13 213 C ATOM 9 O HIS A 0 32.143 -29.603 33.203 1.00 52.87 O ANISOU 9 O HIS A 0 6807 6879 6403 -255 27 196 O ATOM 10 CB HIS A 0 31.717 -32.866 32.799 1.00 46.29 C ANISOU 10 CB HIS A 0 5992 6016 5580 -291 -37 269 C ATOM 11 CG HIS A 0 31.826 -34.188 32.094 1.00 53.38 C ANISOU 11 CG HIS A 0 6898 6885 6500 -294 -67 292 C ATOM 12 ND1 HIS A 0 32.706 -35.172 32.489 1.00 59.01 N ANISOU 12 ND1 HIS A 0 7631 7578 7212 -301 -102 312 N ATOM 13 CD2 HIS A 0 31.149 -34.694 31.034 1.00 47.64 C ANISOU 13 CD2 HIS A 0 6160 6144 5797 -293 -68 297 C ATOM 14 CE1 HIS A 0 32.576 -36.223 31.697 1.00 55.62 C ANISOU 14 CE1 HIS A 0 7204 7121 6807 -303 -121 326 C ATOM 15 NE2 HIS A 0 31.641 -35.957 30.802 1.00 46.01 N ANISOU 15 NE2 HIS A 0 5969 5909 5605 -299 -101 317 N ATOM 0 H HIS A 0 33.870 -31.475 33.584 1.00 43.61 H new ATOM 0 HA HIS A 0 32.641 -31.940 31.209 1.00 38.95 H new ATOM 0 HB2 HIS A 0 32.006 -32.976 33.718 1.00 46.29 H new ATOM 0 HB3 HIS A 0 30.784 -32.601 32.825 1.00 46.29 H new ATOM 0 HD2 HIS A 0 30.477 -34.267 30.553 1.00 47.64 H new ATOM 0 HE1 HIS A 0 33.060 -37.015 31.759 1.00 55.62 H new ATOM 0 HE2 HIS A 0 31.382 -36.487 30.176 1.00 46.01 H new ATOM 16 N MET A 1 30.777 -30.197 31.507 1.00 30.63 N ANISOU 16 N MET A 1 3964 4049 3626 -245 31 212 N ATOM 17 CA MET A 1 29.947 -28.991 31.531 1.00 29.14 C ANISOU 17 CA MET A 1 3755 3878 3437 -235 71 193 C ATOM 18 C MET A 1 28.536 -29.356 31.101 1.00 25.42 C ANISOU 18 C MET A 1 3264 3421 2973 -243 84 209 C ATOM 19 O MET A 1 28.368 -30.067 30.124 1.00 25.92 O ANISOU 19 O MET A 1 3322 3470 3056 -242 66 222 O ATOM 20 CB MET A 1 30.521 -27.955 30.545 1.00 29.87 C ANISOU 20 CB MET A 1 3838 3952 3558 -203 77 169 C ATOM 21 CG MET A 1 29.513 -27.097 29.767 1.00 31.62 C ANISOU 21 CG MET A 1 4033 4180 3801 -185 106 161 C ATOM 22 SD MET A 1 30.215 -26.356 28.278 1.00 33.35 S ANISOU 22 SD MET A 1 4244 4370 4056 -152 101 147 S ATOM 23 CE MET A 1 31.504 -25.429 29.073 1.00 36.84 C ANISOU 23 CE MET A 1 4704 4806 4488 -146 106 120 C ATOM 0 H MET A 1 30.541 -30.763 30.904 1.00 30.63 H new ATOM 0 HA MET A 1 29.937 -28.618 32.426 1.00 29.14 H new ATOM 0 HB2 MET A 1 31.105 -27.359 31.040 1.00 29.87 H new ATOM 0 HB3 MET A 1 31.075 -28.425 29.903 1.00 29.87 H new ATOM 0 HG2 MET A 1 28.752 -27.645 29.521 1.00 31.62 H new ATOM 0 HG3 MET A 1 29.180 -26.393 30.346 1.00 31.62 H new ATOM 0 HE1 MET A 1 31.835 -24.748 28.466 1.00 36.84 H new ATOM 0 HE2 MET A 1 31.153 -25.006 29.872 1.00 36.84 H new ATOM 0 HE3 MET A 1 32.229 -26.025 29.315 1.00 36.84 H new ATOM 24 N LYS A 2 27.538 -28.831 31.802 1.00 23.27 N ANISOU 24 N LYS A 2 2978 3178 2685 -252 117 204 N ATOM 25 CA LYS A 2 26.148 -28.937 31.385 1.00 23.34 C ANISOU 25 CA LYS A 2 2962 3205 2704 -256 135 215 C ATOM 26 C LYS A 2 25.955 -28.002 30.209 1.00 24.59 C ANISOU 26 C LYS A 2 3096 3351 2894 -223 147 201 C ATOM 27 O LYS A 2 26.176 -26.801 30.341 1.00 33.14 O ANISOU 27 O LYS A 2 4174 4433 3984 -203 170 178 O ATOM 28 CB LYS A 2 25.221 -28.524 32.531 1.00 28.63 C ANISOU 28 CB LYS A 2 3622 3910 3348 -272 170 210 C ATOM 0 H LYS A 2 27.650 -28.400 32.538 1.00 23.27 H new ATOM 0 HA LYS A 2 25.936 -29.851 31.139 1.00 23.34 H new ATOM 29 N LEU A 3 25.552 -28.545 29.063 1.00 18.51 N ANISOU 29 N LEU A 3 2313 2573 2146 -220 132 216 N ATOM 30 CA LEU A 3 25.422 -27.753 27.855 1.00 17.34 C ANISOU 30 CA LEU A 3 2145 2415 2028 -191 138 208 C ATOM 31 C LEU A 3 24.008 -27.803 27.318 1.00 17.31 C ANISOU 31 C LEU A 3 2109 2433 2036 -193 151 222 C ATOM 32 O LEU A 3 23.565 -28.837 26.814 1.00 17.99 O ANISOU 32 O LEU A 3 2191 2521 2122 -212 131 242 O ATOM 33 CB LEU A 3 26.405 -28.234 26.792 1.00 17.70 C ANISOU 33 CB LEU A 3 2204 2431 2090 -183 105 210 C ATOM 34 CG LEU A 3 26.396 -27.487 25.460 1.00 17.77 C ANISOU 34 CG LEU A 3 2195 2430 2127 -156 107 203 C ATOM 35 CD1 LEU A 3 26.572 -25.980 25.655 1.00 18.49 C ANISOU 35 CD1 LEU A 3 2279 2520 2227 -130 135 183 C ATOM 36 CD2 LEU A 3 27.493 -28.036 24.573 1.00 18.57 C ANISOU 36 CD2 LEU A 3 2313 2505 2238 -152 77 202 C ATOM 0 H LEU A 3 25.349 -29.375 28.969 1.00 18.51 H new ATOM 0 HA LEU A 3 25.628 -26.832 28.080 1.00 17.34 H new ATOM 0 HB2 LEU A 3 27.300 -28.182 27.162 1.00 17.70 H new ATOM 0 HB3 LEU A 3 26.225 -29.171 26.615 1.00 17.70 H new ATOM 0 HG LEU A 3 25.533 -27.623 25.038 1.00 17.77 H new ATOM 0 HD11 LEU A 3 26.562 -25.538 24.791 1.00 18.49 H new ATOM 0 HD12 LEU A 3 25.848 -25.637 26.202 1.00 18.49 H new ATOM 0 HD13 LEU A 3 27.419 -25.807 26.096 1.00 18.49 H new ATOM 0 HD21 LEU A 3 27.491 -27.564 23.726 1.00 18.57 H new ATOM 0 HD22 LEU A 3 28.352 -27.915 25.008 1.00 18.57 H new ATOM 0 HD23 LEU A 3 27.340 -28.981 24.417 1.00 18.57 H new ATOM 37 N ASP A 4 23.313 -26.679 27.413 1.00 18.31 N ANISOU 37 N ASP A 4 2211 2573 2171 -175 183 212 N ATOM 38 CA ASP A 4 21.968 -26.577 26.862 1.00 18.53 C ANISOU 38 CA ASP A 4 2203 2624 2214 -172 197 225 C ATOM 39 C ASP A 4 21.995 -26.717 25.346 1.00 17.79 C ANISOU 39 C ASP A 4 2098 2518 2144 -159 174 236 C ATOM 40 O ASP A 4 22.820 -26.101 24.657 1.00 18.29 O ANISOU 40 O ASP A 4 2168 2558 2222 -136 167 226 O ATOM 41 CB ASP A 4 21.316 -25.254 27.248 1.00 21.10 C ANISOU 41 CB ASP A 4 2503 2962 2550 -148 237 210 C ATOM 42 CG ASP A 4 20.925 -25.191 28.710 1.00 25.20 C ANISOU 42 CG ASP A 4 3025 3505 3043 -165 265 200 C ATOM 43 OD1 ASP A 4 20.975 -26.214 29.432 1.00 25.96 O ANISOU 43 OD1 ASP A 4 3140 3612 3112 -198 253 210 O ATOM 44 OD2 ASP A 4 20.552 -24.090 29.132 1.00 30.38 O ANISOU 44 OD2 ASP A 4 3667 4168 3709 -146 300 182 O ATOM 0 H ASP A 4 23.601 -25.963 27.792 1.00 18.31 H new ATOM 0 HA ASP A 4 21.442 -27.301 27.236 1.00 18.53 H new ATOM 0 HB2 ASP A 4 21.928 -24.528 27.051 1.00 21.10 H new ATOM 0 HB3 ASP A 4 20.527 -25.116 26.701 1.00 21.10 H new ATOM 45 N LEU A 5 21.091 -27.557 24.857 1.00 18.17 N ANISOU 45 N LEU A 5 2128 2583 2193 -178 162 257 N ATOM 46 CA LEU A 5 20.978 -27.929 23.461 1.00 18.04 C ANISOU 46 CA LEU A 5 2101 2561 2192 -176 138 269 C ATOM 47 C LEU A 5 19.514 -27.808 23.046 1.00 19.94 C ANISOU 47 C LEU A 5 2300 2834 2443 -178 150 285 C ATOM 48 O LEU A 5 18.621 -28.359 23.710 1.00 21.26 O ANISOU 48 O LEU A 5 2456 3026 2598 -202 159 295 O ATOM 49 CB LEU A 5 21.455 -29.372 23.261 1.00 19.42 C ANISOU 49 CB LEU A 5 2302 2722 2355 -205 105 277 C ATOM 50 CG LEU A 5 21.268 -30.009 21.879 1.00 20.95 C ANISOU 50 CG LEU A 5 2488 2913 2560 -213 80 288 C ATOM 51 CD1 LEU A 5 22.225 -29.398 20.894 1.00 21.10 C ANISOU 51 CD1 LEU A 5 2515 2910 2594 -187 70 276 C ATOM 52 CD2 LEU A 5 21.496 -31.510 21.945 1.00 23.69 C ANISOU 52 CD2 LEU A 5 2858 3248 2896 -246 54 296 C ATOM 0 H LEU A 5 20.503 -27.940 25.354 1.00 18.17 H new ATOM 0 HA LEU A 5 21.529 -27.344 22.918 1.00 18.04 H new ATOM 0 HB2 LEU A 5 22.400 -29.405 23.478 1.00 19.42 H new ATOM 0 HB3 LEU A 5 20.996 -29.929 23.909 1.00 19.42 H new ATOM 0 HG LEU A 5 20.357 -29.843 21.589 1.00 20.95 H new ATOM 0 HD11 LEU A 5 22.099 -29.807 20.024 1.00 21.10 H new ATOM 0 HD12 LEU A 5 22.059 -28.445 20.830 1.00 21.10 H new ATOM 0 HD13 LEU A 5 23.136 -29.547 21.192 1.00 21.10 H new ATOM 0 HD21 LEU A 5 21.374 -31.895 21.063 1.00 23.69 H new ATOM 0 HD22 LEU A 5 22.399 -31.687 22.252 1.00 23.69 H new ATOM 0 HD23 LEU A 5 20.861 -31.907 22.562 1.00 23.69 H new ATOM 53 N LYS A 6 19.274 -27.035 21.991 1.00 19.02 N ANISOU 53 N LYS A 6 2161 2718 2348 -153 150 289 N ATOM 54 CA ALYS A 6 17.945 -26.941 21.391 0.70 20.20 C ANISOU 54 CA ALYS A 6 2268 2899 2510 -153 155 308 C ATOM 55 CA BLYS A 6 17.949 -26.948 21.373 0.30 20.46 C ANISOU 55 CA BLYS A 6 2300 2932 2543 -153 154 308 C ATOM 56 C LYS A 6 17.932 -27.744 20.073 1.00 21.05 C ANISOU 56 C LYS A 6 2374 3007 2619 -168 120 321 C ATOM 57 O LYS A 6 18.798 -27.575 19.194 1.00 21.62 O ANISOU 57 O LYS A 6 2461 3057 2697 -155 103 316 O ATOM 58 CB ALYS A 6 17.559 -25.476 21.180 0.70 23.85 C ANISOU 58 CB ALYS A 6 2700 3364 2996 -113 179 306 C ATOM 59 CB BLYS A 6 17.560 -25.505 21.075 0.30 23.42 C ANISOU 59 CB BLYS A 6 2645 3310 2942 -114 177 307 C ATOM 60 CG ALYS A 6 16.089 -25.233 20.870 0.70 29.31 C ANISOU 60 CG ALYS A 6 3342 4092 3701 -109 191 325 C ATOM 61 CG BLYS A 6 17.173 -24.689 22.286 0.30 28.86 C ANISOU 61 CG BLYS A 6 3325 4007 3633 -100 216 293 C ATOM 62 CD ALYS A 6 15.866 -23.843 20.297 0.70 35.61 C ANISOU 62 CD ALYS A 6 4114 4887 4530 -67 206 328 C ATOM 63 CD BLYS A 6 16.949 -23.239 21.895 0.30 35.10 C ANISOU 63 CD BLYS A 6 4091 4792 4454 -57 237 291 C ATOM 64 CE ALYS A 6 16.063 -22.736 21.312 0.70 40.42 C ANISOU 64 CE ALYS A 6 4727 5482 5149 -40 243 306 C ATOM 65 CE BLYS A 6 15.841 -23.079 20.870 0.30 38.79 C ANISOU 65 CE BLYS A 6 4513 5284 4941 -48 230 317 C ATOM 66 NZ ALYS A 6 15.967 -21.394 20.662 0.70 42.71 N ANISOU 66 NZ ALYS A 6 4996 5761 5472 2 255 310 N ATOM 67 NZ BLYS A 6 15.749 -21.658 20.426 0.30 42.24 N ANISOU 67 NZ BLYS A 6 4930 5709 5411 -4 247 318 N ATOM 0 H ALYS A 6 19.872 -26.553 21.604 0.70 19.02 H new ATOM 0 H BLYS A 6 19.872 -26.546 21.612 0.30 19.02 H new ATOM 0 HA ALYS A 6 17.281 -27.323 21.986 0.70 20.46 H new ATOM 0 HA BLYS A 6 17.308 -27.315 22.002 0.30 20.46 H new ATOM 0 HB2ALYS A 6 17.794 -24.976 21.978 0.70 23.42 H new ATOM 0 HB2BLYS A 6 18.303 -25.068 20.631 0.30 23.42 H new ATOM 0 HB3ALYS A 6 18.092 -25.117 20.453 0.70 23.42 H new ATOM 0 HB3BLYS A 6 16.818 -25.506 20.451 0.30 23.42 H new ATOM 0 HG2ALYS A 6 15.775 -25.899 20.239 0.70 28.86 H new ATOM 0 HG2BLYS A 6 16.366 -25.052 22.684 0.30 28.86 H new ATOM 0 HG3ALYS A 6 15.564 -25.339 21.679 0.70 28.86 H new ATOM 0 HG3BLYS A 6 17.870 -24.745 22.958 0.30 28.86 H new ATOM 0 HD2ALYS A 6 16.475 -23.705 19.555 0.70 35.10 H new ATOM 0 HD2BLYS A 6 16.730 -22.724 22.687 0.30 35.10 H new ATOM 0 HD3ALYS A 6 14.966 -23.788 19.939 0.70 35.10 H new ATOM 0 HD3BLYS A 6 17.773 -22.873 21.537 0.30 35.10 H new ATOM 0 HE2ALYS A 6 15.394 -22.810 22.011 0.70 38.79 H new ATOM 0 HE2BLYS A 6 16.012 -23.653 20.107 0.30 38.79 H new ATOM 0 HE3ALYS A 6 16.929 -22.832 21.737 0.70 38.79 H new ATOM 0 HE3BLYS A 6 14.995 -23.361 21.252 0.30 38.79 H new ATOM 0 HZ1ALYS A 6 15.940 -20.762 21.288 0.70 42.24 H new ATOM 0 HZ1BLYS A 6 14.990 -21.535 19.978 0.30 42.24 H new ATOM 0 HZ2ALYS A 6 16.677 -21.265 20.141 0.70 42.24 H new ATOM 0 HZ2BLYS A 6 15.763 -21.123 21.137 0.30 42.24 H new ATOM 0 HZ3ALYS A 6 15.227 -21.355 20.169 0.70 42.24 H new ATOM 0 HZ3BLYS A 6 16.439 -21.466 19.898 0.30 42.24 H new ATOM 68 N ILE A 7 16.961 -28.642 19.968 1.00 21.25 N ANISOU 68 N ILE A 7 2381 3058 2637 -197 112 337 N ATOM 69 CA ILE A 7 16.777 -29.415 18.767 1.00 21.18 C ANISOU 69 CA ILE A 7 2367 3054 2628 -216 82 349 C ATOM 70 C ILE A 7 15.809 -28.619 17.885 1.00 22.81 C ANISOU 70 C ILE A 7 2528 3288 2852 -198 86 365 C ATOM 71 O ILE A 7 14.600 -28.580 18.115 1.00 27.51 O ANISOU 71 O ILE A 7 3086 3917 3451 -204 98 379 O ATOM 72 CB ILE A 7 16.272 -30.840 19.093 1.00 23.16 C ANISOU 72 CB ILE A 7 2624 3315 2862 -261 69 358 C ATOM 73 CG1 ILE A 7 17.247 -31.551 20.045 1.00 23.61 C ANISOU 73 CG1 ILE A 7 2725 3341 2903 -276 65 346 C ATOM 74 CG2 ILE A 7 16.108 -31.648 17.813 1.00 26.42 C ANISOU 74 CG2 ILE A 7 3033 3731 3274 -283 38 365 C ATOM 75 CD1 ILE A 7 16.760 -32.884 20.577 1.00 26.16 C ANISOU 75 CD1 ILE A 7 3057 3671 3211 -320 56 356 C ATOM 0 H ILE A 7 16.396 -28.815 20.593 1.00 21.25 H new ATOM 0 HA ILE A 7 17.613 -29.551 18.294 1.00 21.18 H new ATOM 0 HB ILE A 7 15.409 -30.767 19.530 1.00 23.16 H new ATOM 0 HG12 ILE A 7 18.088 -31.690 19.582 1.00 23.61 H new ATOM 0 HG13 ILE A 7 17.431 -30.965 20.796 1.00 23.61 H new ATOM 0 HG21 ILE A 7 15.791 -32.539 18.031 1.00 26.42 H new ATOM 0 HG22 ILE A 7 15.466 -31.209 17.233 1.00 26.42 H new ATOM 0 HG23 ILE A 7 16.963 -31.711 17.358 1.00 26.42 H new ATOM 0 HD11 ILE A 7 17.431 -33.262 21.166 1.00 26.16 H new ATOM 0 HD12 ILE A 7 15.935 -32.754 21.070 1.00 26.16 H new ATOM 0 HD13 ILE A 7 16.602 -33.490 19.836 1.00 26.16 H new ATOM 76 N LEU A 8 16.364 -27.946 16.884 1.00 21.84 N ANISOU 76 N LEU A 8 2406 3152 2740 -173 76 364 N ATOM 77 CA LEU A 8 15.586 -27.091 16.011 1.00 22.95 C ANISOU 77 CA LEU A 8 2506 3317 2898 -152 77 382 C ATOM 78 C LEU A 8 14.826 -27.886 14.969 1.00 25.26 C ANISOU 78 C LEU A 8 2776 3637 3183 -179 50 400 C ATOM 79 O LEU A 8 13.748 -27.471 14.537 1.00 31.10 O ANISOU 79 O LEU A 8 3472 4410 3934 -173 51 421 O ATOM 80 CB LEU A 8 16.489 -26.065 15.338 1.00 24.14 C ANISOU 80 CB LEU A 8 2668 3442 3061 -118 75 377 C ATOM 81 CG LEU A 8 17.218 -25.143 16.314 1.00 26.03 C ANISOU 81 CG LEU A 8 2927 3654 3309 -90 103 358 C ATOM 82 CD1 LEU A 8 18.221 -24.288 15.567 1.00 25.95 C ANISOU 82 CD1 LEU A 8 2932 3617 3309 -63 98 353 C ATOM 83 CD2 LEU A 8 16.222 -24.273 17.051 1.00 28.65 C ANISOU 83 CD2 LEU A 8 3224 4004 3659 -68 135 364 C ATOM 0 H LEU A 8 17.202 -27.975 16.695 1.00 21.84 H new ATOM 0 HA LEU A 8 14.932 -26.631 16.560 1.00 22.95 H new ATOM 0 HB2 LEU A 8 17.145 -26.531 14.797 1.00 24.14 H new ATOM 0 HB3 LEU A 8 15.955 -25.525 14.734 1.00 24.14 H new ATOM 0 HG LEU A 8 17.695 -25.683 16.964 1.00 26.03 H new ATOM 0 HD11 LEU A 8 18.680 -23.706 16.193 1.00 25.95 H new ATOM 0 HD12 LEU A 8 18.868 -24.860 15.124 1.00 25.95 H new ATOM 0 HD13 LEU A 8 17.759 -23.750 14.905 1.00 25.95 H new ATOM 0 HD21 LEU A 8 16.694 -23.692 17.668 1.00 28.65 H new ATOM 0 HD22 LEU A 8 15.728 -23.734 16.413 1.00 28.65 H new ATOM 0 HD23 LEU A 8 15.605 -24.835 17.545 1.00 28.65 H new ATOM 84 N ASP A 9 15.392 -29.018 14.572 1.00 23.19 N ANISOU 84 N ASP A 9 2544 3362 2904 -211 25 392 N ATOM 85 CA ASP A 9 14.764 -29.905 13.608 1.00 24.53 C ANISOU 85 CA ASP A 9 2700 3557 3064 -244 -1 404 C ATOM 86 C ASP A 9 14.568 -31.268 14.259 1.00 24.14 C ANISOU 86 C ASP A 9 2667 3505 3000 -286 -7 398 C ATOM 87 O ASP A 9 15.531 -31.958 14.609 1.00 21.76 O ANISOU 87 O ASP A 9 2408 3170 2690 -297 -13 381 O ATOM 88 CB ASP A 9 15.619 -30.019 12.353 1.00 24.59 C ANISOU 88 CB ASP A 9 2727 3549 3066 -244 -25 396 C ATOM 89 CG ASP A 9 14.877 -30.672 11.219 1.00 28.06 C ANISOU 89 CG ASP A 9 3145 4020 3495 -274 -51 409 C ATOM 90 OD1 ASP A 9 14.401 -31.813 11.412 1.00 28.41 O ANISOU 90 OD1 ASP A 9 3192 4073 3529 -313 -60 408 O ATOM 91 OD2 ASP A 9 14.754 -30.046 10.152 1.00 31.20 O ANISOU 91 OD2 ASP A 9 3524 4435 3895 -261 -62 421 O ATOM 0 H ASP A 9 16.155 -29.293 14.857 1.00 23.19 H new ATOM 0 HA ASP A 9 13.902 -29.547 13.342 1.00 24.53 H new ATOM 0 HB2 ASP A 9 15.910 -29.135 12.080 1.00 24.59 H new ATOM 0 HB3 ASP A 9 16.418 -30.532 12.553 1.00 24.59 H new ATOM 92 N ALA A 10 13.301 -31.645 14.424 1.00 24.39 N ANISOU 92 N ALA A 10 2664 3572 3029 -309 -4 414 N ATOM 93 CA ALA A 10 12.950 -32.884 15.112 1.00 25.62 C ANISOU 93 CA ALA A 10 2832 3730 3173 -351 -7 413 C ATOM 94 C ALA A 10 13.612 -34.143 14.567 1.00 22.05 C ANISOU 94 C ALA A 10 2418 3253 2708 -385 -34 401 C ATOM 95 O ALA A 10 13.792 -35.108 15.303 1.00 21.57 O ANISOU 95 O ALA A 10 2383 3174 2640 -412 -35 396 O ATOM 96 CB ALA A 10 11.443 -33.062 15.123 1.00 28.58 C ANISOU 96 CB ALA A 10 3159 4153 3548 -373 -3 434 C ATOM 0 H ALA A 10 12.626 -31.193 14.142 1.00 24.39 H new ATOM 0 HA ALA A 10 13.298 -32.780 16.011 1.00 25.62 H new ATOM 0 HB1 ALA A 10 11.218 -33.887 15.581 1.00 28.58 H new ATOM 0 HB2 ALA A 10 11.032 -32.314 15.584 1.00 28.58 H new ATOM 0 HB3 ALA A 10 11.115 -33.099 14.211 1.00 28.58 H new ATOM 97 N ARG A 11 14.025 -34.150 13.300 1.00 20.86 N ANISOU 97 N ARG A 11 2271 3098 2556 -383 -56 396 N ATOM 98 CA AARG A 11 14.694 -35.334 12.775 0.60 22.32 C ANISOU 98 CA AARG A 11 2493 3256 2732 -414 -79 380 C ATOM 99 CA BARG A 11 14.734 -35.307 12.745 0.40 22.29 C ANISOU 99 CA BARG A 11 2490 3252 2728 -412 -79 379 C ATOM 100 C ARG A 11 16.035 -35.599 13.478 1.00 21.01 C ANISOU 100 C ARG A 11 2375 3041 2567 -402 -75 360 C ATOM 101 O ARG A 11 16.524 -36.720 13.486 1.00 22.36 O ANISOU 101 O ARG A 11 2578 3184 2734 -428 -89 349 O ATOM 102 CB AARG A 11 14.840 -35.253 11.249 0.60 24.84 C ANISOU 102 CB AARG A 11 2806 3586 3046 -416 -101 376 C ATOM 103 CB BARG A 11 15.037 -35.091 11.267 0.40 22.76 C ANISOU 103 CB BARG A 11 2546 3318 2784 -408 -99 374 C ATOM 104 CG AARG A 11 15.971 -34.382 10.749 0.60 26.43 C ANISOU 104 CG AARG A 11 3024 3766 3253 -378 -99 364 C ATOM 105 CG BARG A 11 13.817 -35.184 10.383 0.40 24.31 C ANISOU 105 CG BARG A 11 2701 3561 2974 -431 -113 392 C ATOM 106 CD AARG A 11 15.866 -34.146 9.254 0.60 28.16 C ANISOU 106 CD AARG A 11 3228 4007 3464 -381 -118 367 C ATOM 107 CD BARG A 11 14.149 -34.769 8.961 0.40 25.88 C ANISOU 107 CD BARG A 11 2896 3771 3168 -423 -130 389 C ATOM 108 NE AARG A 11 14.999 -33.012 8.956 0.60 27.38 N ANISOU 108 NE AARG A 11 3084 3947 3372 -358 -112 393 N ATOM 109 NE BARG A 11 14.387 -33.335 8.861 0.40 27.70 N ANISOU 109 NE BARG A 11 3111 4006 3410 -376 -118 400 N ATOM 110 CZ AARG A 11 14.885 -32.436 7.762 0.60 32.09 C ANISOU 110 CZ AARG A 11 3662 4567 3964 -351 -126 404 C ATOM 111 CZ BARG A 11 14.769 -32.727 7.743 0.40 29.03 C ANISOU 111 CZ BARG A 11 3276 4182 3574 -361 -129 402 C ATOM 112 NH1AARG A 11 15.562 -32.898 6.713 0.60 38.09 N ANISOU 112 NH1AARG A 11 4444 5318 4709 -367 -145 388 N ATOM 113 NH1BARG A 11 14.955 -33.435 6.638 0.40 29.74 N ANISOU 113 NH1BARG A 11 3376 4277 3646 -391 -152 392 N ATOM 114 NH2AARG A 11 14.075 -31.395 7.612 0.60 34.35 N ANISOU 114 NH2AARG A 11 3907 4885 4261 -327 -120 431 N ATOM 115 NH2BARG A 11 14.965 -31.416 7.725 0.40 26.98 N ANISOU 115 NH2BARG A 11 3002 3922 3327 -318 -117 414 N ATOM 0 H AARG A 11 13.931 -33.500 12.745 0.60 20.86 H new ATOM 0 H BARG A 11 13.907 -33.501 12.748 0.40 20.86 H new ATOM 0 HA AARG A 11 14.132 -36.100 12.970 0.60 22.29 H new ATOM 0 HA BARG A 11 14.145 -36.070 12.858 0.40 22.29 H new ATOM 0 HB2AARG A 11 14.967 -36.151 10.904 0.60 22.76 H new ATOM 0 HB2BARG A 11 15.445 -34.219 11.152 0.40 22.76 H new ATOM 0 HB3AARG A 11 14.008 -34.921 10.877 0.60 22.76 H new ATOM 0 HB3BARG A 11 15.688 -35.749 10.978 0.40 22.76 H new ATOM 0 HG2AARG A 11 15.957 -33.531 11.215 0.60 24.31 H new ATOM 0 HG2BARG A 11 13.477 -36.092 10.388 0.40 24.31 H new ATOM 0 HG3AARG A 11 16.821 -34.803 10.953 0.60 24.31 H new ATOM 0 HG3BARG A 11 13.114 -34.616 10.734 0.40 24.31 H new ATOM 0 HD2AARG A 11 16.749 -33.986 8.887 0.60 25.88 H new ATOM 0 HD2BARG A 11 14.935 -35.250 8.658 0.40 25.88 H new ATOM 0 HD3AARG A 11 15.520 -34.943 8.822 0.60 25.88 H new ATOM 0 HD3BARG A 11 13.420 -35.018 8.372 0.40 25.88 H new ATOM 0 HE AARG A 11 14.527 -32.692 9.599 0.60 27.70 H new ATOM 0 HE BARG A 11 14.274 -32.855 9.566 0.40 27.70 H new ATOM 0 HH11AARG A 11 16.082 -33.578 6.802 0.60 29.74 H new ATOM 0 HH11BARG A 11 14.828 -34.286 6.646 0.40 29.74 H new ATOM 0 HH12AARG A 11 15.480 -32.517 5.946 0.60 29.74 H new ATOM 0 HH12BARG A 11 15.202 -33.044 5.913 0.40 29.74 H new ATOM 0 HH21AARG A 11 13.628 -31.097 8.284 0.60 26.98 H new ATOM 0 HH21BARG A 11 14.845 -30.953 8.440 0.40 26.98 H new ATOM 0 HH22AARG A 11 13.997 -31.018 6.843 0.60 26.98 H new ATOM 0 HH22BARG A 11 15.212 -31.028 6.998 0.40 26.98 H new ATOM 116 N MET A 12 16.610 -34.572 14.095 1.00 19.54 N ANISOU 116 N MET A 12 2193 2843 2388 -363 -56 357 N ATOM 117 CA MET A 12 17.895 -34.747 14.757 1.00 19.66 C ANISOU 117 CA MET A 12 2251 2816 2405 -351 -54 340 C ATOM 118 C MET A 12 17.809 -35.400 16.132 1.00 19.36 C ANISOU 118 C MET A 12 2229 2767 2361 -369 -45 344 C ATOM 119 O MET A 12 18.824 -35.725 16.716 1.00 19.65 O ANISOU 119 O MET A 12 2300 2769 2396 -365 -47 332 O ATOM 120 CB MET A 12 18.637 -33.408 14.849 1.00 21.37 C ANISOU 120 CB MET A 12 2468 3022 2629 -306 -39 333 C ATOM 121 CG MET A 12 18.885 -32.747 13.501 1.00 23.69 C ANISOU 121 CG MET A 12 2751 3323 2927 -289 -49 331 C ATOM 122 SD MET A 12 19.565 -33.816 12.216 1.00 28.62 S ANISOU 122 SD MET A 12 3399 3930 3544 -314 -78 315 S ATOM 123 CE MET A 12 21.146 -34.114 12.938 1.00 26.74 C ANISOU 123 CE MET A 12 3209 3643 3311 -301 -76 291 C ATOM 0 H MET A 12 16.279 -33.780 14.141 1.00 19.54 H new ATOM 0 HA MET A 12 18.394 -35.366 14.201 1.00 19.66 H new ATOM 0 HB2 MET A 12 18.125 -32.802 15.407 1.00 21.37 H new ATOM 0 HB3 MET A 12 19.489 -33.550 15.291 1.00 21.37 H new ATOM 0 HG2 MET A 12 18.047 -32.378 13.181 1.00 23.69 H new ATOM 0 HG3 MET A 12 19.491 -32.001 13.632 1.00 23.69 H new ATOM 0 HE1 MET A 12 21.681 -34.654 12.335 1.00 26.74 H new ATOM 0 HE2 MET A 12 21.594 -33.268 13.097 1.00 26.74 H new ATOM 0 HE3 MET A 12 21.034 -34.583 13.779 1.00 26.74 H new ATOM 124 N ARG A 13 16.604 -35.621 16.655 1.00 20.19 N ANISOU 124 N ARG A 13 2309 2902 2461 -391 -35 361 N ATOM 125 CA AARG A 13 16.496 -36.380 17.905 0.60 21.04 C ANISOU 125 CA AARG A 13 2434 3001 2560 -415 -29 366 C ATOM 126 CA BARG A 13 16.477 -36.389 17.911 0.40 20.43 C ANISOU 126 CA BARG A 13 2357 2924 2483 -415 -29 367 C ATOM 127 C ARG A 13 17.145 -37.763 17.823 1.00 20.46 C ANISOU 127 C ARG A 13 2399 2890 2483 -444 -52 360 C ATOM 128 O ARG A 13 17.646 -38.299 18.813 1.00 24.67 O ANISOU 128 O ARG A 13 2962 3400 3012 -453 -51 361 O ATOM 129 CB AARG A 13 15.037 -36.524 18.340 0.60 23.16 C ANISOU 129 CB AARG A 13 2666 3310 2822 -440 -16 386 C ATOM 130 CB BARG A 13 15.011 -36.601 18.291 0.40 19.81 C ANISOU 130 CB BARG A 13 2242 2886 2398 -442 -17 386 C ATOM 131 CG AARG A 13 14.413 -35.221 18.794 0.60 27.88 C ANISOU 131 CG AARG A 13 3228 3940 3425 -410 13 391 C ATOM 132 CG BARG A 13 14.242 -35.348 18.648 0.40 19.35 C ANISOU 132 CG BARG A 13 2144 2864 2345 -415 10 394 C ATOM 133 CD AARG A 13 13.152 -35.451 19.599 0.60 33.21 C ANISOU 133 CD AARG A 13 3873 4651 4093 -435 31 408 C ATOM 134 CD BARG A 13 12.849 -35.722 19.114 0.40 19.97 C ANISOU 134 CD BARG A 13 2188 2982 2417 -446 22 412 C ATOM 135 NE AARG A 13 12.002 -35.633 18.730 0.60 39.68 N ANISOU 135 NE AARG A 13 4652 5507 4917 -453 22 421 N ATOM 136 NE BARG A 13 12.149 -34.591 19.694 0.40 21.66 N ANISOU 136 NE BARG A 13 2365 3228 2637 -420 53 417 N ATOM 137 CZ AARG A 13 10.909 -34.870 18.730 0.60 45.57 C ANISOU 137 CZ AARG A 13 5349 6296 5671 -442 41 433 C ATOM 138 CZ BARG A 13 10.895 -34.274 19.391 0.40 24.74 C ANISOU 138 CZ BARG A 13 2705 3661 3034 -423 61 431 C ATOM 139 NH1AARG A 13 9.926 -35.147 17.888 0.60 48.25 N ANISOU 139 NH1AARG A 13 5651 6668 6012 -462 28 446 N ATOM 140 NH1BARG A 13 10.309 -33.230 19.963 0.40 26.27 N ANISOU 140 NH1BARG A 13 2865 3880 3237 -396 92 433 N ATOM 141 NH2AARG A 13 10.776 -33.841 19.564 0.60 50.42 N ANISOU 141 NH2AARG A 13 5948 6920 6291 -410 72 431 N ATOM 142 NH2BARG A 13 10.230 -35.012 18.510 0.40 25.52 N ANISOU 142 NH2BARG A 13 2786 3778 3131 -454 39 442 N ATOM 0 H AARG A 13 15.860 -35.352 16.318 0.60 20.19 H new ATOM 0 H BARG A 13 15.863 -35.347 16.316 0.40 20.19 H new ATOM 0 HA AARG A 13 16.983 -35.867 18.569 0.60 20.43 H new ATOM 0 HA BARG A 13 16.925 -35.858 18.588 0.40 20.43 H new ATOM 0 HB2AARG A 13 14.520 -36.882 17.601 0.60 19.81 H new ATOM 0 HB2BARG A 13 14.561 -37.038 17.551 0.40 19.81 H new ATOM 0 HB3AARG A 13 14.984 -37.169 19.062 0.60 19.81 H new ATOM 0 HB3BARG A 13 14.974 -37.210 19.045 0.40 19.81 H new ATOM 0 HG2AARG A 13 15.052 -34.726 19.329 0.60 19.35 H new ATOM 0 HG2BARG A 13 14.706 -34.860 19.346 0.40 19.35 H new ATOM 0 HG3AARG A 13 14.207 -34.674 18.020 0.60 19.35 H new ATOM 0 HG3BARG A 13 14.189 -34.760 17.878 0.40 19.35 H new ATOM 0 HD2AARG A 13 13.262 -36.233 20.162 0.60 19.97 H new ATOM 0 HD2BARG A 13 12.340 -36.067 18.364 0.40 19.97 H new ATOM 0 HD3AARG A 13 12.999 -34.696 20.189 0.60 19.97 H new ATOM 0 HD3BARG A 13 12.908 -36.435 19.769 0.40 19.97 H new ATOM 0 HE AARG A 13 12.029 -36.286 18.171 0.60 21.66 H new ATOM 0 HE BARG A 13 12.567 -34.101 20.263 0.40 21.66 H new ATOM 0 HH11AARG A 13 9.997 -35.813 17.349 0.60 26.27 H new ATOM 0 HH11BARG A 13 10.741 -32.754 20.534 0.40 26.27 H new ATOM 0 HH12AARG A 13 9.217 -34.661 17.880 0.60 26.27 H new ATOM 0 HH12BARG A 13 9.497 -33.030 19.763 0.40 26.27 H new ATOM 0 HH21AARG A 13 11.404 -33.655 20.121 0.60 25.52 H new ATOM 0 HH21BARG A 13 10.611 -35.689 18.141 0.40 25.52 H new ATOM 0 HH22AARG A 13 10.062 -33.362 19.546 0.60 25.52 H new ATOM 0 HH22BARG A 13 9.418 -34.813 18.309 0.40 25.52 H new ATOM 143 N ASP A 14 17.141 -38.338 16.622 1.00 21.92 N ANISOU 143 N ASP A 14 2585 3070 2671 -460 -73 353 N ATOM 144 CA ASP A 14 17.731 -39.635 16.391 1.00 23.68 C ANISOU 144 CA ASP A 14 2844 3257 2897 -486 -94 343 C ATOM 145 C ASP A 14 19.215 -39.582 16.011 1.00 23.25 C ANISOU 145 C ASP A 14 2823 3162 2851 -460 -104 321 C ATOM 146 O ASP A 14 19.816 -40.619 15.775 1.00 24.79 O ANISOU 146 O ASP A 14 3047 3321 3050 -477 -121 311 O ATOM 147 CB ASP A 14 16.955 -40.345 15.272 1.00 25.02 C ANISOU 147 CB ASP A 14 2999 3442 3064 -521 -111 343 C ATOM 148 CG ASP A 14 15.503 -40.611 15.644 1.00 28.94 C ANISOU 148 CG ASP A 14 3465 3979 3554 -554 -104 364 C ATOM 149 OD1 ASP A 14 15.244 -40.827 16.838 1.00 28.08 O ANISOU 149 OD1 ASP A 14 3359 3868 3440 -564 -91 378 O ATOM 150 OD2 ASP A 14 14.633 -40.591 14.750 1.00 33.28 O ANISOU 150 OD2 ASP A 14 3983 4561 4100 -571 -111 368 O ATOM 0 H ASP A 14 16.793 -37.979 15.922 1.00 21.92 H new ATOM 0 HA ASP A 14 17.675 -40.119 17.230 1.00 23.68 H new ATOM 0 HB2 ASP A 14 16.985 -39.803 14.468 1.00 25.02 H new ATOM 0 HB3 ASP A 14 17.391 -41.186 15.064 1.00 25.02 H new ATOM 151 N TYR A 15 19.797 -38.377 15.981 1.00 19.27 N ANISOU 151 N TYR A 15 2312 2660 2349 -420 -93 315 N ATOM 152 CA TYR A 15 21.153 -38.171 15.471 1.00 20.31 C ANISOU 152 CA TYR A 15 2468 2761 2489 -394 -100 293 C ATOM 153 C TYR A 15 21.906 -37.159 16.323 1.00 21.59 C ANISOU 153 C TYR A 15 2636 2916 2652 -358 -84 291 C ATOM 154 O TYR A 15 22.646 -36.334 15.801 1.00 21.82 O ANISOU 154 O TYR A 15 2665 2939 2686 -328 -82 278 O ATOM 155 CB TYR A 15 21.116 -37.679 14.013 1.00 20.81 C ANISOU 155 CB TYR A 15 2514 2841 2553 -385 -107 284 C ATOM 156 CG TYR A 15 20.581 -38.694 13.041 1.00 23.24 C ANISOU 156 CG TYR A 15 2819 3153 2857 -421 -125 280 C ATOM 157 CD1 TYR A 15 21.389 -39.712 12.556 1.00 25.70 C ANISOU 157 CD1 TYR A 15 3163 3429 3174 -435 -141 259 C ATOM 158 CD2 TYR A 15 19.267 -38.642 12.617 1.00 26.00 C ANISOU 158 CD2 TYR A 15 3135 3544 3199 -443 -125 295 C ATOM 159 CE1 TYR A 15 20.902 -40.657 11.675 1.00 30.13 C ANISOU 159 CE1 TYR A 15 3723 3992 3731 -471 -156 251 C ATOM 160 CE2 TYR A 15 18.765 -39.583 11.724 1.00 30.65 C ANISOU 160 CE2 TYR A 15 3723 4140 3783 -480 -143 290 C ATOM 161 CZ TYR A 15 19.592 -40.586 11.259 1.00 31.00 C ANISOU 161 CZ TYR A 15 3801 4146 3831 -495 -157 266 C ATOM 162 OH TYR A 15 19.116 -41.528 10.372 1.00 41.63 O ANISOU 162 OH TYR A 15 5148 5497 5173 -534 -173 257 O ATOM 0 H TYR A 15 19.414 -37.658 16.257 1.00 19.27 H new ATOM 0 HA TYR A 15 21.614 -39.024 15.510 1.00 20.31 H new ATOM 0 HB2 TYR A 15 20.570 -36.879 13.965 1.00 20.81 H new ATOM 0 HB3 TYR A 15 22.013 -37.427 13.743 1.00 20.81 H new ATOM 0 HD1 TYR A 15 22.277 -39.759 12.830 1.00 25.70 H new ATOM 0 HD2 TYR A 15 18.710 -37.968 12.933 1.00 26.00 H new ATOM 0 HE1 TYR A 15 21.455 -41.337 11.365 1.00 30.13 H new ATOM 0 HE2 TYR A 15 17.880 -39.537 11.443 1.00 30.65 H new ATOM 0 HH TYR A 15 18.308 -41.371 10.203 1.00 41.63 H new ATOM 163 N LEU A 16 21.713 -37.201 17.633 1.00 21.88 N ANISOU 163 N LEU A 16 2678 2953 2683 -362 -73 303 N ATOM 164 CA LEU A 16 22.365 -36.215 18.489 1.00 21.36 C ANISOU 164 CA LEU A 16 2618 2883 2616 -331 -57 299 C ATOM 165 C LEU A 16 23.870 -36.445 18.499 1.00 20.88 C ANISOU 165 C LEU A 16 2590 2783 2562 -316 -70 282 C ATOM 166 O LEU A 16 24.310 -37.579 18.395 1.00 21.49 O ANISOU 166 O LEU A 16 2690 2833 2643 -333 -88 279 O ATOM 167 CB LEU A 16 21.800 -36.258 19.907 1.00 22.89 C ANISOU 167 CB LEU A 16 2810 3090 2797 -344 -42 314 C ATOM 168 CG LEU A 16 20.358 -35.757 20.034 1.00 25.63 C ANISOU 168 CG LEU A 16 3119 3481 3139 -351 -22 328 C ATOM 169 CD1 LEU A 16 19.949 -35.809 21.491 1.00 32.44 C ANISOU 169 CD1 LEU A 16 3984 4356 3987 -364 -5 340 C ATOM 170 CD2 LEU A 16 20.148 -34.352 19.481 1.00 27.14 C ANISOU 170 CD2 LEU A 16 3281 3692 3338 -318 -6 323 C ATOM 0 H LEU A 16 21.221 -37.776 18.041 1.00 21.88 H new ATOM 0 HA LEU A 16 22.188 -35.332 18.129 1.00 21.36 H new ATOM 0 HB2 LEU A 16 21.843 -37.171 20.232 1.00 22.89 H new ATOM 0 HB3 LEU A 16 22.367 -35.724 20.485 1.00 22.89 H new ATOM 0 HG LEU A 16 19.802 -36.341 19.495 1.00 25.63 H new ATOM 0 HD11 LEU A 16 19.036 -35.493 21.583 1.00 32.44 H new ATOM 0 HD12 LEU A 16 20.008 -36.723 21.812 1.00 32.44 H new ATOM 0 HD13 LEU A 16 20.540 -35.244 22.014 1.00 32.44 H new ATOM 0 HD21 LEU A 16 19.219 -34.096 19.591 1.00 27.14 H new ATOM 0 HD22 LEU A 16 20.714 -33.727 19.961 1.00 27.14 H new ATOM 0 HD23 LEU A 16 20.377 -34.337 18.539 1.00 27.14 H new ATOM 171 N PRO A 17 24.669 -35.364 18.625 1.00 19.83 N ANISOU 171 N PRO A 17 2458 2646 2431 -283 -59 270 N ATOM 172 CA PRO A 17 26.116 -35.549 18.732 1.00 19.61 C ANISOU 172 CA PRO A 17 2458 2583 2409 -268 -71 255 C ATOM 173 C PRO A 17 26.472 -36.353 19.984 1.00 19.19 C ANISOU 173 C PRO A 17 2429 2512 2350 -282 -78 264 C ATOM 174 O PRO A 17 25.830 -36.182 21.021 1.00 19.67 O ANISOU 174 O PRO A 17 2485 2592 2398 -292 -65 278 O ATOM 175 CB PRO A 17 26.647 -34.112 18.850 1.00 19.39 C ANISOU 175 CB PRO A 17 2422 2561 2383 -235 -54 244 C ATOM 176 CG PRO A 17 25.561 -33.244 18.309 1.00 21.17 C ANISOU 176 CG PRO A 17 2616 2820 2609 -229 -38 252 C ATOM 177 CD PRO A 17 24.296 -33.939 18.697 1.00 20.53 C ANISOU 177 CD PRO A 17 2522 2759 2519 -258 -36 270 C ATOM 0 HA PRO A 17 26.491 -36.038 17.983 1.00 19.61 H new ATOM 0 HB2 PRO A 17 26.847 -33.888 19.772 1.00 19.39 H new ATOM 0 HB3 PRO A 17 27.468 -34.000 18.346 1.00 19.39 H new ATOM 0 HG2 PRO A 17 25.603 -32.351 18.685 1.00 21.17 H new ATOM 0 HG3 PRO A 17 25.631 -33.150 17.346 1.00 21.17 H new ATOM 0 HD2 PRO A 17 24.006 -33.688 19.588 1.00 20.53 H new ATOM 0 HD3 PRO A 17 23.569 -33.727 18.092 1.00 20.53 H new ATOM 178 N LYS A 18 27.484 -37.206 19.890 1.00 20.77 N ANISOU 178 N LYS A 18 2654 2677 2559 -283 -98 256 N ATOM 179 CA LYS A 18 27.860 -38.087 20.988 1.00 21.28 C ANISOU 179 CA LYS A 18 2744 2722 2621 -296 -110 269 C ATOM 180 C LYS A 18 29.369 -38.249 20.993 1.00 22.44 C ANISOU 180 C LYS A 18 2911 2835 2779 -276 -125 255 C ATOM 181 O LYS A 18 29.962 -38.389 19.933 1.00 29.71 O ANISOU 181 O LYS A 18 3833 3739 3716 -265 -133 236 O ATOM 182 CB LYS A 18 27.219 -39.462 20.802 1.00 28.01 C ANISOU 182 CB LYS A 18 3604 3562 3477 -330 -125 282 C ATOM 0 H LYS A 18 27.973 -37.291 19.187 1.00 20.77 H new ATOM 0 HA LYS A 18 27.556 -37.702 21.825 1.00 21.28 H new ATOM 183 N TYR A 19 29.991 -38.235 22.170 1.00 20.04 N ANISOU 183 N TYR A 19 2622 2525 2468 -271 -129 263 N ATOM 184 CA TYR A 19 31.406 -38.587 22.284 1.00 20.15 C ANISOU 184 CA TYR A 19 2654 2506 2495 -255 -147 254 C ATOM 185 C TYR A 19 31.562 -40.083 22.025 1.00 20.75 C ANISOU 185 C TYR A 19 2749 2547 2588 -271 -170 261 C ATOM 186 O TYR A 19 30.887 -40.906 22.642 1.00 25.19 O ANISOU 186 O TYR A 19 3320 3106 3143 -297 -176 284 O ATOM 187 CB TYR A 19 31.985 -38.218 23.655 1.00 20.22 C ANISOU 187 CB TYR A 19 2674 2520 2489 -249 -148 263 C ATOM 188 CG TYR A 19 31.996 -36.729 23.890 1.00 19.06 C ANISOU 188 CG TYR A 19 2512 2402 2329 -232 -124 251 C ATOM 189 CD1 TYR A 19 32.875 -35.909 23.202 1.00 18.25 C ANISOU 189 CD1 TYR A 19 2403 2294 2238 -205 -121 227 C ATOM 190 CD2 TYR A 19 31.107 -36.142 24.771 1.00 18.14 C ANISOU 190 CD2 TYR A 19 2387 2315 2189 -243 -104 261 C ATOM 191 CE1 TYR A 19 32.856 -34.535 23.391 1.00 17.18 C ANISOU 191 CE1 TYR A 19 2255 2181 2093 -190 -98 215 C ATOM 192 CE2 TYR A 19 31.088 -34.774 24.963 1.00 20.53 C ANISOU 192 CE2 TYR A 19 2677 2641 2484 -227 -81 247 C ATOM 193 CZ TYR A 19 31.959 -33.974 24.271 1.00 19.32 C ANISOU 193 CZ TYR A 19 2518 2478 2343 -200 -79 225 C ATOM 194 OH TYR A 19 31.902 -32.623 24.479 1.00 21.20 O ANISOU 194 OH TYR A 19 2745 2735 2575 -186 -55 212 O ATOM 0 H TYR A 19 29.613 -38.025 22.913 1.00 20.04 H new ATOM 0 HA TYR A 19 31.903 -38.078 21.625 1.00 20.15 H new ATOM 0 HB2 TYR A 19 31.464 -38.649 24.350 1.00 20.22 H new ATOM 0 HB3 TYR A 19 32.890 -38.561 23.725 1.00 20.22 H new ATOM 0 HD1 TYR A 19 33.484 -36.283 22.607 1.00 18.25 H new ATOM 0 HD2 TYR A 19 30.511 -36.678 25.243 1.00 18.14 H new ATOM 0 HE1 TYR A 19 33.449 -33.993 22.923 1.00 17.18 H new ATOM 0 HE2 TYR A 19 30.485 -34.396 25.561 1.00 20.53 H new ATOM 0 HH TYR A 19 32.339 -32.228 23.880 1.00 21.20 H new ATOM 195 N ALA A 20 32.460 -40.426 21.111 1.00 19.77 N ANISOU 195 N ALA A 20 2631 2396 2487 -255 -182 240 N ATOM 196 CA ALA A 20 32.685 -41.827 20.761 1.00 22.43 C ANISOU 196 CA ALA A 20 2984 2693 2844 -267 -202 242 C ATOM 197 C ALA A 20 33.178 -42.660 21.949 1.00 24.37 C ANISOU 197 C ALA A 20 3252 2914 3094 -273 -221 266 C ATOM 198 O ALA A 20 32.761 -43.812 22.126 1.00 27.50 O ANISOU 198 O ALA A 20 3664 3288 3498 -296 -234 283 O ATOM 199 CB ALA A 20 33.660 -41.919 19.596 1.00 25.10 C ANISOU 199 CB ALA A 20 3322 3008 3205 -246 -207 211 C ATOM 0 H ALA A 20 32.950 -39.866 20.681 1.00 19.77 H new ATOM 0 HA ALA A 20 31.830 -42.202 20.497 1.00 22.43 H new ATOM 0 HB1 ALA A 20 33.805 -42.851 19.368 1.00 25.10 H new ATOM 0 HB2 ALA A 20 33.293 -41.453 18.829 1.00 25.10 H new ATOM 0 HB3 ALA A 20 34.504 -41.513 19.847 1.00 25.10 H new ATOM 200 N THR A 21 34.089 -42.080 22.733 1.00 24.21 N ANISOU 200 N THR A 21 3234 2897 3068 -252 -225 268 N ATOM 201 CA THR A 21 34.639 -42.723 23.923 1.00 23.19 C ANISOU 201 CA THR A 21 3124 2750 2938 -255 -244 293 C ATOM 202 C THR A 21 34.775 -41.690 25.028 1.00 24.62 C ANISOU 202 C THR A 21 3300 2965 3090 -250 -235 302 C ATOM 203 O THR A 21 34.678 -40.489 24.786 1.00 23.93 O ANISOU 203 O THR A 21 3196 2906 2991 -238 -215 284 O ATOM 204 CB THR A 21 36.041 -43.314 23.653 1.00 28.39 C ANISOU 204 CB THR A 21 3792 3368 3627 -231 -266 283 C ATOM 205 OG1 THR A 21 37.007 -42.253 23.572 1.00 30.12 O ANISOU 205 OG1 THR A 21 3999 3601 3845 -202 -261 262 O ATOM 206 CG2 THR A 21 36.059 -44.124 22.362 1.00 29.73 C ANISOU 206 CG2 THR A 21 3964 3506 3827 -230 -270 262 C ATOM 0 H THR A 21 34.407 -41.295 22.585 1.00 24.21 H new ATOM 0 HA THR A 21 34.037 -43.440 24.178 1.00 23.19 H new ATOM 0 HB THR A 21 36.266 -43.907 24.387 1.00 28.39 H new ATOM 0 HG1 THR A 21 36.662 -41.589 23.191 1.00 30.12 H new ATOM 0 HG21 THR A 21 36.949 -44.483 22.217 1.00 29.73 H new ATOM 0 HG22 THR A 21 35.424 -44.854 22.429 1.00 29.73 H new ATOM 0 HG23 THR A 21 35.816 -43.552 21.617 1.00 29.73 H new ATOM 207 N THR A 22 35.036 -42.156 26.244 1.00 27.48 N ANISOU 207 N THR A 22 3677 3322 3441 -260 -251 330 N ATOM 208 CA THR A 22 35.269 -41.248 27.351 1.00 29.28 C ANISOU 208 CA THR A 22 3904 3582 3640 -258 -244 336 C ATOM 209 C THR A 22 36.571 -40.460 27.170 1.00 23.67 C ANISOU 209 C THR A 22 3185 2869 2938 -226 -248 312 C ATOM 210 O THR A 22 36.789 -39.494 27.880 1.00 25.74 O ANISOU 210 O THR A 22 3444 3160 3178 -222 -238 308 O ATOM 211 CB THR A 22 35.307 -41.979 28.704 1.00 33.30 C ANISOU 211 CB THR A 22 4432 4088 4132 -278 -263 374 C ATOM 212 OG1 THR A 22 36.246 -43.052 28.633 1.00 40.30 O ANISOU 212 OG1 THR A 22 5334 4931 5047 -268 -295 385 O ATOM 213 CG2 THR A 22 33.930 -42.516 29.043 1.00 37.95 C ANISOU 213 CG2 THR A 22 5027 4690 4705 -314 -254 398 C ATOM 0 H THR A 22 35.082 -42.991 26.445 1.00 27.48 H new ATOM 0 HA THR A 22 34.520 -40.632 27.353 1.00 29.28 H new ATOM 0 HB THR A 22 35.578 -41.358 29.399 1.00 33.30 H new ATOM 0 HG1 THR A 22 36.270 -43.453 29.371 1.00 40.30 H new ATOM 0 HG21 THR A 22 33.963 -42.975 29.897 1.00 37.95 H new ATOM 0 HG22 THR A 22 33.300 -41.781 29.096 1.00 37.95 H new ATOM 0 HG23 THR A 22 33.646 -43.136 28.354 1.00 37.95 H new ATOM 214 N GLY A 23 37.429 -40.872 26.236 1.00 22.80 N ANISOU 214 N GLY A 23 3075 2728 2861 -205 -260 295 N ATOM 215 CA GLY A 23 38.651 -40.117 25.925 1.00 20.26 C ANISOU 215 CA GLY A 23 2743 2405 2550 -175 -261 270 C ATOM 216 C GLY A 23 38.561 -39.182 24.727 1.00 18.50 C ANISOU 216 C GLY A 23 2502 2194 2333 -161 -238 236 C ATOM 217 O GLY A 23 39.554 -38.574 24.338 1.00 18.90 O ANISOU 217 O GLY A 23 2543 2243 2394 -139 -237 214 O ATOM 0 H GLY A 23 37.324 -41.587 25.769 1.00 22.80 H new ATOM 0 HA2 GLY A 23 38.896 -39.595 26.705 1.00 20.26 H new ATOM 0 HA3 GLY A 23 39.371 -40.748 25.769 1.00 20.26 H new ATOM 218 N SER A 24 37.389 -39.092 24.113 1.00 17.76 N ANISOU 218 N SER A 24 2401 2112 2234 -175 -220 234 N ATOM 219 CA SER A 24 37.199 -38.276 22.920 1.00 16.00 C ANISOU 219 CA SER A 24 2162 1900 2017 -164 -200 207 C ATOM 220 C SER A 24 37.155 -36.794 23.259 1.00 14.81 C ANISOU 220 C SER A 24 1999 1783 1847 -156 -178 198 C ATOM 221 O SER A 24 36.537 -36.386 24.245 1.00 16.43 O ANISOU 221 O SER A 24 2205 2010 2028 -168 -169 212 O ATOM 222 CB SER A 24 35.880 -38.640 22.231 1.00 16.87 C ANISOU 222 CB SER A 24 2268 2017 2125 -184 -190 212 C ATOM 223 OG SER A 24 35.882 -39.981 21.772 1.00 20.88 O ANISOU 223 OG SER A 24 2787 2493 2653 -194 -208 216 O ATOM 0 H SER A 24 36.680 -39.502 24.376 1.00 17.76 H new ATOM 0 HA SER A 24 37.952 -38.451 22.334 1.00 16.00 H new ATOM 0 HB2 SER A 24 35.145 -38.511 22.850 1.00 16.87 H new ATOM 0 HB3 SER A 24 35.729 -38.042 21.483 1.00 16.87 H new ATOM 0 HG SER A 24 36.668 -40.213 21.587 1.00 20.88 H new ATOM 224 N ALA A 25 37.772 -35.987 22.402 1.00 14.38 N ANISOU 224 N ALA A 25 1932 1729 1801 -136 -169 173 N ATOM 225 CA ALA A 25 37.767 -34.533 22.568 1.00 15.04 C ANISOU 225 CA ALA A 25 2005 1838 1872 -127 -147 161 C ATOM 226 C ALA A 25 36.631 -33.827 21.840 1.00 14.98 C ANISOU 226 C ALA A 25 1983 1850 1859 -130 -123 158 C ATOM 227 O ALA A 25 36.281 -32.712 22.177 1.00 18.16 O ANISOU 227 O ALA A 25 2377 2274 2249 -126 -103 155 O ATOM 228 CB ALA A 25 39.090 -33.960 22.089 1.00 16.74 C ANISOU 228 CB ALA A 25 2215 2044 2100 -105 -149 138 C ATOM 0 H ALA A 25 38.204 -36.263 21.711 1.00 14.38 H new ATOM 0 HA ALA A 25 37.633 -34.373 23.515 1.00 15.04 H new ATOM 0 HB1 ALA A 25 39.085 -32.996 22.200 1.00 16.74 H new ATOM 0 HB2 ALA A 25 39.815 -34.341 22.609 1.00 16.74 H new ATOM 0 HB3 ALA A 25 39.216 -34.176 21.152 1.00 16.74 H new ATOM 229 N GLY A 26 36.111 -34.444 20.802 1.00 15.31 N ANISOU 229 N GLY A 26 2021 1885 1911 -136 -126 157 N ATOM 230 CA GLY A 26 35.171 -33.796 19.911 1.00 16.72 C ANISOU 230 CA GLY A 26 2183 2083 2088 -137 -108 155 C ATOM 231 C GLY A 26 33.841 -34.504 19.791 1.00 16.27 C ANISOU 231 C GLY A 26 2123 2035 2025 -160 -108 172 C ATOM 232 O GLY A 26 33.730 -35.715 20.022 1.00 17.46 O ANISOU 232 O GLY A 26 2286 2169 2179 -175 -125 182 O ATOM 0 H GLY A 26 36.293 -35.257 20.590 1.00 15.31 H new ATOM 0 HA2 GLY A 26 35.017 -32.891 20.223 1.00 16.72 H new ATOM 0 HA3 GLY A 26 35.570 -33.728 19.030 1.00 16.72 H new ATOM 233 N LEU A 27 32.837 -33.707 19.459 1.00 16.06 N ANISOU 233 N LEU A 27 2078 2033 1991 -161 -89 176 N ATOM 234 CA LEU A 27 31.485 -34.140 19.161 1.00 16.96 C ANISOU 234 CA LEU A 27 2181 2163 2099 -181 -86 191 C ATOM 235 C LEU A 27 31.259 -34.025 17.661 1.00 15.64 C ANISOU 235 C LEU A 27 2001 2001 1940 -178 -86 181 C ATOM 236 O LEU A 27 31.587 -33.018 17.061 1.00 15.32 O ANISOU 236 O LEU A 27 1950 1967 1903 -160 -76 171 O ATOM 237 CB LEU A 27 30.465 -33.237 19.872 1.00 18.70 C ANISOU 237 CB LEU A 27 2385 2413 2306 -182 -64 203 C ATOM 238 CG LEU A 27 30.343 -33.325 21.387 1.00 20.79 C ANISOU 238 CG LEU A 27 2660 2684 2556 -191 -59 214 C ATOM 239 CD1 LEU A 27 29.550 -32.149 21.933 1.00 24.27 C ANISOU 239 CD1 LEU A 27 3083 3152 2987 -184 -31 216 C ATOM 240 CD2 LEU A 27 29.676 -34.634 21.769 1.00 22.91 C ANISOU 240 CD2 LEU A 27 2938 2950 2819 -220 -72 233 C ATOM 0 H LEU A 27 32.932 -32.854 19.399 1.00 16.06 H new ATOM 0 HA LEU A 27 31.371 -35.055 19.463 1.00 16.96 H new ATOM 0 HB2 LEU A 27 30.678 -32.318 19.647 1.00 18.70 H new ATOM 0 HB3 LEU A 27 29.591 -33.426 19.495 1.00 18.70 H new ATOM 0 HG LEU A 27 31.232 -33.294 21.775 1.00 20.79 H new ATOM 0 HD11 LEU A 27 29.484 -32.223 22.898 1.00 24.27 H new ATOM 0 HD12 LEU A 27 29.999 -31.321 21.703 1.00 24.27 H new ATOM 0 HD13 LEU A 27 28.660 -32.151 21.547 1.00 24.27 H new ATOM 0 HD21 LEU A 27 29.599 -34.689 22.734 1.00 22.91 H new ATOM 0 HD22 LEU A 27 28.792 -34.675 21.372 1.00 22.91 H new ATOM 0 HD23 LEU A 27 30.210 -35.376 21.445 1.00 22.91 H new ATOM 241 N ASP A 28 30.657 -35.044 17.057 1.00 19.81 N ANISOU 241 N ASP A 28 2530 2527 2471 -199 -98 186 N ATOM 242 CA AASP A 28 30.424 -34.951 15.617 0.50 19.01 C ANISOU 242 CA AASP A 28 2416 2434 2373 -201 -99 177 C ATOM 243 CA BASP A 28 30.326 -35.082 15.644 0.50 18.69 C ANISOU 243 CA BASP A 28 2375 2393 2331 -204 -100 178 C ATOM 244 C ASP A 28 29.082 -34.276 15.314 1.00 17.26 C ANISOU 244 C ASP A 28 2168 2247 2142 -207 -86 192 C ATOM 245 O ASP A 28 28.024 -34.566 15.874 1.00 22.54 O ANISOU 245 O ASP A 28 2828 2931 2803 -224 -83 210 O ATOM 246 CB AASP A 28 30.538 -36.298 14.893 0.50 22.60 C ANISOU 246 CB AASP A 28 2883 2868 2835 -220 -117 168 C ATOM 247 CB BASP A 28 30.094 -36.555 15.212 0.50 18.53 C ANISOU 247 CB BASP A 28 2368 2357 2317 -230 -118 176 C ATOM 248 CG AASP A 28 31.973 -36.631 14.440 0.50 23.18 C ANISOU 248 CG AASP A 28 2972 2912 2922 -206 -127 143 C ATOM 249 CG BASP A 28 28.964 -37.285 15.994 0.50 17.81 C ANISOU 249 CG BASP A 28 2276 2274 2218 -257 -120 199 C ATOM 250 OD1AASP A 28 32.753 -35.789 13.893 0.50 21.91 O ANISOU 250 OD1AASP A 28 2807 2754 2764 -185 -120 128 O ATOM 251 OD1BASP A 28 28.853 -37.216 17.240 0.50 14.41 O ANISOU 251 OD1BASP A 28 1851 1844 1782 -258 -116 213 O ATOM 252 OD2AASP A 28 32.304 -37.816 14.585 0.50 31.78 O ANISOU 252 OD2AASP A 28 4079 3974 4022 -217 -141 139 O ATOM 253 OD2BASP A 28 28.199 -38.011 15.340 0.50 21.33 O ANISOU 253 OD2BASP A 28 2717 2724 2663 -281 -127 201 O ATOM 0 H AASP A 28 30.386 -35.766 17.438 0.50 19.81 H new ATOM 0 H BASP A 28 30.423 -35.757 17.477 0.50 19.81 H new ATOM 0 HA AASP A 28 31.137 -34.394 15.267 0.50 18.69 H new ATOM 0 HA BASP A 28 31.071 -34.688 15.164 0.50 18.69 H new ATOM 0 HB2AASP A 28 30.220 -37.001 15.481 0.50 18.53 H new ATOM 0 HB2BASP A 28 29.881 -36.573 14.266 0.50 18.53 H new ATOM 0 HB3AASP A 28 29.955 -36.291 14.118 0.50 18.53 H new ATOM 0 HB3BASP A 28 30.922 -37.048 15.326 0.50 18.53 H new ATOM 254 N LEU A 29 29.176 -33.308 14.413 1.00 15.09 N ANISOU 254 N LEU A 29 1879 1986 1868 -191 -78 186 N ATOM 255 CA LEU A 29 28.027 -32.570 13.907 1.00 15.21 C ANISOU 255 CA LEU A 29 1867 2033 1878 -191 -68 202 C ATOM 256 C LEU A 29 27.661 -33.136 12.540 1.00 16.04 C ANISOU 256 C LEU A 29 1966 2149 1981 -209 -81 199 C ATOM 257 O LEU A 29 28.522 -33.426 11.728 1.00 15.98 O ANISOU 257 O LEU A 29 1969 2127 1975 -207 -90 180 O ATOM 258 CB LEU A 29 28.343 -31.078 13.769 1.00 15.60 C ANISOU 258 CB LEU A 29 1905 2090 1932 -162 -52 201 C ATOM 259 CG LEU A 29 28.723 -30.361 15.061 1.00 16.60 C ANISOU 259 CG LEU A 29 2039 2209 2061 -145 -36 199 C ATOM 260 CD1 LEU A 29 29.061 -28.922 14.742 1.00 18.04 C ANISOU 260 CD1 LEU A 29 2211 2394 2249 -119 -20 196 C ATOM 261 CD2 LEU A 29 27.579 -30.435 16.054 1.00 20.32 C ANISOU 261 CD2 LEU A 29 2498 2697 2526 -155 -26 216 C ATOM 0 H LEU A 29 29.924 -33.056 14.071 1.00 15.09 H new ATOM 0 HA LEU A 29 27.290 -32.664 14.531 1.00 15.21 H new ATOM 0 HB2 LEU A 29 29.070 -30.975 13.135 1.00 15.60 H new ATOM 0 HB3 LEU A 29 27.570 -30.634 13.387 1.00 15.60 H new ATOM 0 HG LEU A 29 29.496 -30.790 15.460 1.00 16.60 H new ATOM 0 HD11 LEU A 29 29.304 -28.458 15.558 1.00 18.04 H new ATOM 0 HD12 LEU A 29 29.806 -28.894 14.121 1.00 18.04 H new ATOM 0 HD13 LEU A 29 28.290 -28.489 14.342 1.00 18.04 H new ATOM 0 HD21 LEU A 29 27.830 -29.977 16.871 1.00 20.32 H new ATOM 0 HD22 LEU A 29 26.793 -30.012 15.675 1.00 20.32 H new ATOM 0 HD23 LEU A 29 27.382 -31.364 16.252 1.00 20.32 H new ATOM 262 N ARG A 30 26.369 -33.305 12.319 1.00 19.08 N ANISOU 262 N ARG A 30 2329 2561 2359 -226 -82 216 N ATOM 263 CA ARG A 30 25.854 -33.945 11.129 1.00 19.34 C ANISOU 263 CA ARG A 30 2355 2608 2386 -250 -96 215 C ATOM 264 C ARG A 30 25.061 -32.984 10.272 1.00 21.37 C ANISOU 264 C ARG A 30 2581 2901 2637 -243 -92 230 C ATOM 265 O ARG A 30 24.524 -31.991 10.757 1.00 24.71 O ANISOU 265 O ARG A 30 2984 3339 3064 -225 -78 247 O ATOM 266 CB ARG A 30 24.927 -35.087 11.525 1.00 19.42 C ANISOU 266 CB ARG A 30 2364 2622 2391 -282 -105 224 C ATOM 267 CG ARG A 30 25.623 -36.268 12.173 1.00 20.23 C ANISOU 267 CG ARG A 30 2498 2688 2500 -295 -114 212 C ATOM 268 CD ARG A 30 24.562 -37.205 12.702 1.00 24.34 C ANISOU 268 CD ARG A 30 3015 3216 3017 -327 -119 227 C ATOM 269 NE ARG A 30 25.090 -38.366 13.379 1.00 24.96 N ANISOU 269 NE ARG A 30 3123 3258 3102 -341 -129 221 N ATOM 270 CZ ARG A 30 25.400 -39.520 12.805 1.00 25.74 C ANISOU 270 CZ ARG A 30 3241 3332 3207 -361 -145 206 C ATOM 271 NH1 ARG A 30 25.286 -39.701 11.492 1.00 25.35 N ANISOU 271 NH1 ARG A 30 3185 3292 3154 -373 -152 191 N ATOM 272 NH2 ARG A 30 25.856 -40.507 13.558 1.00 33.79 N ANISOU 272 NH2 ARG A 30 4287 4316 4237 -370 -153 205 N ATOM 0 H ARG A 30 25.758 -33.046 12.866 1.00 19.08 H new ATOM 0 HA ARG A 30 26.616 -34.267 10.623 1.00 19.34 H new ATOM 0 HB2 ARG A 30 24.256 -34.746 12.137 1.00 19.42 H new ATOM 0 HB3 ARG A 30 24.458 -35.397 10.734 1.00 19.42 H new ATOM 0 HG2 ARG A 30 26.187 -36.724 11.529 1.00 20.23 H new ATOM 0 HG3 ARG A 30 26.200 -35.968 12.893 1.00 20.23 H new ATOM 0 HD2 ARG A 30 23.989 -36.718 13.314 1.00 24.34 H new ATOM 0 HD3 ARG A 30 24.005 -37.498 11.964 1.00 24.34 H new ATOM 0 HE ARG A 30 25.214 -38.303 14.228 1.00 24.96 H new ATOM 0 HH11 ARG A 30 25.005 -39.060 10.992 1.00 25.35 H new ATOM 0 HH12 ARG A 30 25.493 -40.459 11.143 1.00 25.35 H new ATOM 0 HH21 ARG A 30 25.947 -40.394 14.406 1.00 33.79 H new ATOM 0 HH22 ARG A 30 26.061 -41.261 13.200 1.00 33.79 H new ATOM 273 N ALA A 31 24.990 -33.309 8.995 1.00 19.08 N ANISOU 273 N ALA A 31 2288 2624 2339 -259 -105 224 N ATOM 274 CA ALA A 31 24.214 -32.537 8.036 1.00 19.51 C ANISOU 274 CA ALA A 31 2313 2715 2386 -257 -106 242 C ATOM 275 C ALA A 31 22.720 -32.806 8.211 1.00 20.80 C ANISOU 275 C ALA A 31 2449 2910 2545 -277 -110 265 C ATOM 276 O ALA A 31 22.282 -33.946 8.134 1.00 26.19 O ANISOU 276 O ALA A 31 3136 3594 3221 -309 -122 260 O ATOM 277 CB ALA A 31 24.662 -32.882 6.633 1.00 20.67 C ANISOU 277 CB ALA A 31 2466 2867 2520 -272 -120 226 C ATOM 0 H ALA A 31 25.393 -33.988 8.654 1.00 19.08 H new ATOM 0 HA ALA A 31 24.364 -31.591 8.192 1.00 19.51 H new ATOM 0 HB1 ALA A 31 24.146 -32.368 5.993 1.00 20.67 H new ATOM 0 HB2 ALA A 31 25.603 -32.671 6.533 1.00 20.67 H new ATOM 0 HB3 ALA A 31 24.525 -33.829 6.473 1.00 20.67 H new ATOM 278 N CYS A 32 21.951 -31.769 8.470 1.00 18.46 N ANISOU 278 N CYS A 32 2124 2637 2254 -258 -98 289 N ATOM 279 CA CYS A 32 20.500 -31.869 8.557 1.00 18.99 C ANISOU 279 CA CYS A 32 2157 2739 2318 -274 -100 312 C ATOM 280 C CYS A 32 19.933 -31.421 7.217 1.00 18.88 C ANISOU 280 C CYS A 32 2117 2761 2296 -278 -113 328 C ATOM 281 O CYS A 32 19.748 -30.231 6.979 1.00 21.75 O ANISOU 281 O CYS A 32 2459 3138 2666 -250 -106 346 O ATOM 282 CB CYS A 32 19.969 -31.005 9.705 1.00 20.60 C ANISOU 282 CB CYS A 32 2343 2948 2537 -249 -78 328 C ATOM 283 SG CYS A 32 18.195 -31.199 9.988 1.00 24.82 S ANISOU 283 SG CYS A 32 2834 3526 3071 -268 -77 355 S ATOM 0 H CYS A 32 22.255 -30.975 8.603 1.00 18.46 H new ATOM 0 HA CYS A 32 20.228 -32.781 8.744 1.00 18.99 H new ATOM 0 HB2 CYS A 32 20.446 -31.231 10.519 1.00 20.60 H new ATOM 0 HB3 CYS A 32 20.159 -30.073 9.514 1.00 20.60 H new ATOM 0 HG CYS A 32 18.010 -32.083 10.779 1.00 24.82 H new ATOM 284 N LEU A 33 19.705 -32.392 6.339 1.00 20.63 N ANISOU 284 N LEU A 33 2341 2996 2502 -313 -133 320 N ATOM 285 CA LEU A 33 19.320 -32.150 4.951 1.00 21.13 C ANISOU 285 CA LEU A 33 2385 3094 2549 -325 -150 331 C ATOM 286 C LEU A 33 18.116 -32.992 4.556 1.00 23.04 C ANISOU 286 C LEU A 33 2604 3371 2779 -364 -167 341 C ATOM 287 O LEU A 33 18.014 -34.139 4.949 1.00 24.57 O ANISOU 287 O LEU A 33 2814 3553 2971 -394 -171 326 O ATOM 288 CB LEU A 33 20.469 -32.539 4.016 1.00 21.63 C ANISOU 288 CB LEU A 33 2479 3140 2600 -334 -159 303 C ATOM 289 CG LEU A 33 21.775 -31.757 4.121 1.00 23.16 C ANISOU 289 CG LEU A 33 2695 3302 2802 -300 -146 291 C ATOM 290 CD1 LEU A 33 22.872 -32.435 3.310 1.00 24.41 C ANISOU 290 CD1 LEU A 33 2883 3443 2948 -315 -153 258 C ATOM 291 CD2 LEU A 33 21.572 -30.323 3.672 1.00 24.95 C ANISOU 291 CD2 LEU A 33 2897 3550 3032 -271 -140 318 C ATOM 0 H LEU A 33 19.771 -33.226 6.536 1.00 20.63 H new ATOM 0 HA LEU A 33 19.105 -31.207 4.873 1.00 21.13 H new ATOM 0 HB2 LEU A 33 20.671 -33.476 4.167 1.00 21.63 H new ATOM 0 HB3 LEU A 33 20.149 -32.461 3.104 1.00 21.63 H new ATOM 0 HG LEU A 33 22.054 -31.745 5.050 1.00 23.16 H new ATOM 0 HD11 LEU A 33 23.694 -31.926 3.388 1.00 24.41 H new ATOM 0 HD12 LEU A 33 23.016 -33.333 3.647 1.00 24.41 H new ATOM 0 HD13 LEU A 33 22.606 -32.478 2.378 1.00 24.41 H new ATOM 0 HD21 LEU A 33 22.410 -29.839 3.744 1.00 24.95 H new ATOM 0 HD22 LEU A 33 21.271 -30.312 2.750 1.00 24.95 H new ATOM 0 HD23 LEU A 33 20.905 -29.899 4.234 1.00 24.95 H new ATOM 292 N ASP A 34 17.248 -32.423 3.731 1.00 25.02 N ANISOU 292 N ASP A 34 2818 3666 3021 -366 -178 367 N ATOM 293 CA ASP A 34 16.117 -33.162 3.167 1.00 27.09 C ANISOU 293 CA ASP A 34 3056 3969 3269 -407 -197 377 C ATOM 294 C ASP A 34 16.560 -34.153 2.095 1.00 25.96 C ANISOU 294 C ASP A 34 2937 3827 3102 -446 -217 350 C ATOM 295 O ASP A 34 15.908 -35.173 1.848 1.00 30.06 O ANISOU 295 O ASP A 34 3452 4362 3608 -489 -231 343 O ATOM 296 CB ASP A 34 15.107 -32.185 2.553 1.00 33.04 C ANISOU 296 CB ASP A 34 3761 4772 4020 -395 -206 415 C ATOM 297 CG ASP A 34 14.468 -31.268 3.582 1.00 40.33 C ANISOU 297 CG ASP A 34 4655 5699 4970 -359 -186 441 C ATOM 298 OD1 ASP A 34 14.245 -31.711 4.723 1.00 41.63 O ANISOU 298 OD1 ASP A 34 4824 5847 5146 -363 -171 434 O ATOM 299 OD2 ASP A 34 14.181 -30.099 3.243 1.00 48.61 O ANISOU 299 OD2 ASP A 34 5675 6765 6027 -328 -184 469 O ATOM 0 H ASP A 34 17.294 -31.602 3.481 1.00 25.02 H new ATOM 0 HA ASP A 34 15.708 -33.660 3.893 1.00 27.09 H new ATOM 0 HB2 ASP A 34 15.553 -31.647 1.880 1.00 33.04 H new ATOM 0 HB3 ASP A 34 14.412 -32.688 2.100 1.00 33.04 H new ATOM 300 N ALA A 35 17.672 -33.837 1.446 1.00 21.05 N ANISOU 300 N ALA A 35 2339 3187 2472 -433 -216 333 N ATOM 301 CA ALA A 35 18.148 -34.586 0.310 1.00 21.07 C ANISOU 301 CA ALA A 35 2362 3194 2451 -465 -231 307 C ATOM 302 C ALA A 35 19.649 -34.385 0.158 1.00 19.81 C ANISOU 302 C ALA A 35 2238 2995 2293 -444 -220 279 C ATOM 303 O ALA A 35 20.196 -33.406 0.667 1.00 20.28 O ANISOU 303 O ALA A 35 2300 3037 2369 -403 -205 289 O ATOM 304 CB ALA A 35 17.432 -34.120 -0.947 1.00 23.96 C ANISOU 304 CB ALA A 35 2696 3615 2792 -480 -251 330 C ATOM 0 H ALA A 35 18.173 -33.172 1.661 1.00 21.05 H new ATOM 0 HA ALA A 35 17.966 -35.529 0.447 1.00 21.07 H new ATOM 0 HB1 ALA A 35 17.754 -34.626 -1.709 1.00 23.96 H new ATOM 0 HB2 ALA A 35 16.477 -34.260 -0.847 1.00 23.96 H new ATOM 0 HB3 ALA A 35 17.607 -33.176 -1.088 1.00 23.96 H new ATOM 305 N PRO A 36 20.320 -35.318 -0.514 1.00 19.99 N ANISOU 305 N PRO A 36 2289 3004 2301 -471 -226 243 N ATOM 306 CA PRO A 36 21.753 -35.138 -0.748 1.00 20.14 C ANISOU 306 CA PRO A 36 2339 2990 2322 -452 -216 216 C ATOM 307 C PRO A 36 22.066 -33.840 -1.503 1.00 20.24 C ANISOU 307 C PRO A 36 2339 3026 2324 -428 -214 236 C ATOM 308 O PRO A 36 21.256 -33.354 -2.282 1.00 21.65 O ANISOU 308 O PRO A 36 2490 3251 2485 -438 -227 263 O ATOM 309 CB PRO A 36 22.153 -36.371 -1.566 1.00 21.68 C ANISOU 309 CB PRO A 36 2559 3179 2501 -491 -225 176 C ATOM 310 CG PRO A 36 21.056 -37.364 -1.344 1.00 24.49 C ANISOU 310 CG PRO A 36 2906 3546 2854 -528 -237 178 C ATOM 311 CD PRO A 36 19.814 -36.574 -1.092 1.00 22.81 C ANISOU 311 CD PRO A 36 2651 3374 2641 -521 -242 223 C ATOM 0 HA PRO A 36 22.247 -35.060 0.083 1.00 20.14 H new ATOM 0 HB2 PRO A 36 22.243 -36.153 -2.507 1.00 21.68 H new ATOM 0 HB3 PRO A 36 23.008 -36.723 -1.274 1.00 21.68 H new ATOM 0 HG2 PRO A 36 20.949 -37.939 -2.118 1.00 24.49 H new ATOM 0 HG3 PRO A 36 21.258 -37.939 -0.590 1.00 24.49 H new ATOM 0 HD2 PRO A 36 19.318 -36.417 -1.911 1.00 22.81 H new ATOM 0 HD3 PRO A 36 19.216 -37.033 -0.482 1.00 22.81 H new ATOM 312 N VAL A 37 23.241 -33.282 -1.215 1.00 20.72 N ANISOU 312 N VAL A 37 2420 3054 2398 -396 -198 224 N ATOM 313 CA VAL A 37 23.725 -32.049 -1.817 1.00 21.46 C ANISOU 313 CA VAL A 37 2508 3161 2487 -372 -193 240 C ATOM 314 C VAL A 37 25.033 -32.376 -2.530 1.00 18.44 C ANISOU 314 C VAL A 37 2155 2762 2092 -379 -187 203 C ATOM 315 O VAL A 37 25.962 -32.917 -1.938 1.00 19.67 O ANISOU 315 O VAL A 37 2335 2875 2263 -370 -176 171 O ATOM 316 CB VAL A 37 23.985 -30.965 -0.731 1.00 24.02 C ANISOU 316 CB VAL A 37 2828 3460 2840 -327 -175 260 C ATOM 317 CG1 VAL A 37 24.714 -29.761 -1.320 1.00 26.48 C ANISOU 317 CG1 VAL A 37 3139 3774 3147 -303 -167 271 C ATOM 318 CG2 VAL A 37 22.668 -30.534 -0.094 1.00 27.71 C ANISOU 318 CG2 VAL A 37 3262 3948 3319 -318 -177 297 C ATOM 0 H VAL A 37 23.791 -33.622 -0.648 1.00 20.72 H new ATOM 0 HA VAL A 37 23.063 -31.699 -2.433 1.00 21.46 H new ATOM 0 HB VAL A 37 24.553 -31.351 -0.046 1.00 24.02 H new ATOM 0 HG11 VAL A 37 24.864 -29.101 -0.625 1.00 26.48 H new ATOM 0 HG12 VAL A 37 25.567 -30.045 -1.685 1.00 26.48 H new ATOM 0 HG13 VAL A 37 24.176 -29.370 -2.026 1.00 26.48 H new ATOM 0 HG21 VAL A 37 22.840 -29.859 0.581 1.00 27.71 H new ATOM 0 HG22 VAL A 37 22.083 -30.167 -0.776 1.00 27.71 H new ATOM 0 HG23 VAL A 37 22.241 -31.301 0.319 1.00 27.71 H new ATOM 319 N THR A 38 25.106 -32.046 -3.810 1.00 18.79 N ANISOU 319 N THR A 38 2193 2839 2107 -394 -196 206 N ATOM 320 CA THR A 38 26.315 -32.278 -4.568 1.00 19.19 C ANISOU 320 CA THR A 38 2268 2879 2143 -401 -188 170 C ATOM 321 C THR A 38 27.212 -31.043 -4.490 1.00 20.09 C ANISOU 321 C THR A 38 2386 2981 2268 -366 -173 182 C ATOM 322 O THR A 38 26.772 -29.942 -4.756 1.00 23.70 O ANISOU 322 O THR A 38 2822 3461 2720 -352 -176 221 O ATOM 323 CB THR A 38 25.965 -32.633 -6.011 1.00 21.09 C ANISOU 323 CB THR A 38 2504 3167 2344 -442 -204 164 C ATOM 324 OG1 THR A 38 25.215 -33.856 -5.990 1.00 23.82 O ANISOU 324 OG1 THR A 38 2850 3518 2684 -477 -216 148 O ATOM 325 CG2 THR A 38 27.208 -32.842 -6.829 1.00 22.93 C ANISOU 325 CG2 THR A 38 2761 3391 2560 -450 -193 126 C ATOM 0 H THR A 38 24.464 -31.687 -4.256 1.00 18.79 H new ATOM 0 HA THR A 38 26.802 -33.027 -4.191 1.00 19.19 H new ATOM 0 HB THR A 38 25.456 -31.909 -6.407 1.00 21.09 H new ATOM 0 HG1 THR A 38 24.424 -33.696 -5.758 1.00 23.82 H new ATOM 0 HG21 THR A 38 26.962 -33.066 -7.740 1.00 22.93 H new ATOM 0 HG22 THR A 38 27.737 -32.029 -6.828 1.00 22.93 H new ATOM 0 HG23 THR A 38 27.729 -33.566 -6.448 1.00 22.93 H new ATOM 326 N LEU A 39 28.457 -31.270 -4.084 1.00 18.95 N ANISOU 326 N LEU A 39 2265 2796 2138 -351 -157 149 N ATOM 327 CA ALEU A 39 29.468 -30.222 -3.957 0.70 19.91 C ANISOU 327 CA ALEU A 39 2394 2901 2271 -321 -141 153 C ATOM 328 CA BLEU A 39 29.453 -30.213 -3.952 0.30 20.03 C ANISOU 328 CA BLEU A 39 2409 2917 2286 -321 -141 153 C ATOM 329 C LEU A 39 30.571 -30.398 -4.994 1.00 19.01 C ANISOU 329 C LEU A 39 2295 2791 2136 -335 -134 121 C ATOM 330 O LEU A 39 31.384 -31.337 -4.923 1.00 19.41 O ANISOU 330 O LEU A 39 2366 2816 2191 -342 -127 77 O ATOM 331 CB ALEU A 39 30.085 -30.292 -2.563 0.70 22.35 C ANISOU 331 CB ALEU A 39 2715 3162 2615 -292 -127 140 C ATOM 332 CB BLEU A 39 30.017 -30.221 -2.530 0.30 23.05 C ANISOU 332 CB BLEU A 39 2802 3251 2704 -291 -128 143 C ATOM 333 CG ALEU A 39 29.296 -29.682 -1.416 0.70 28.36 C ANISOU 333 CG ALEU A 39 3461 3915 3399 -268 -126 173 C ATOM 334 CG BLEU A 39 30.454 -28.872 -1.960 0.30 28.78 C ANISOU 334 CG BLEU A 39 3524 3964 3449 -255 -114 166 C ATOM 335 CD1ALEU A 39 30.089 -29.885 -0.135 0.70 35.76 C ANISOU 335 CD1ALEU A 39 4416 4807 4364 -246 -113 154 C ATOM 336 CD1BLEU A 39 29.301 -27.879 -1.960 0.30 34.90 C ANISOU 336 CD1BLEU A 39 4272 4764 4223 -245 -119 213 C ATOM 337 CD2ALEU A 39 29.046 -28.196 -1.666 0.70 34.58 C ANISOU 337 CD2ALEU A 39 4231 4720 4187 -247 -121 212 C ATOM 338 CD2BLEU A 39 30.984 -29.073 -0.553 0.30 30.98 C ANISOU 338 CD2BLEU A 39 3815 4198 3757 -232 -103 151 C ATOM 0 H ALEU A 39 28.744 -32.052 -3.870 0.70 18.95 H new ATOM 0 H BLEU A 39 28.750 -32.051 -3.875 0.30 18.95 H new ATOM 0 HA ALEU A 39 29.041 -29.363 -4.100 0.70 20.03 H new ATOM 0 HA BLEU A 39 29.036 -29.353 -4.116 0.30 20.03 H new ATOM 0 HB2ALEU A 39 30.246 -31.225 -2.353 0.70 23.05 H new ATOM 0 HB2BLEU A 39 29.345 -30.596 -1.939 0.30 23.05 H new ATOM 0 HB3ALEU A 39 30.951 -29.856 -2.596 0.70 23.05 H new ATOM 0 HB3BLEU A 39 30.780 -30.820 -2.510 0.30 23.05 H new ATOM 0 HG ALEU A 39 28.431 -30.114 -1.341 0.70 28.78 H new ATOM 0 HG BLEU A 39 31.156 -28.505 -2.521 0.30 28.78 H new ATOM 0 HD11ALEU A 39 29.602 -29.502 0.611 0.70 34.90 H new ATOM 0 HD11BLEU A 39 29.603 -27.033 -1.595 0.30 34.90 H new ATOM 0 HD12ALEU A 39 30.220 -30.834 0.018 0.70 34.90 H new ATOM 0 HD12BLEU A 39 28.989 -27.745 -2.869 0.30 34.90 H new ATOM 0 HD13ALEU A 39 30.952 -29.449 -0.216 0.70 34.90 H new ATOM 0 HD13BLEU A 39 28.576 -28.225 -1.417 0.30 34.90 H new ATOM 0 HD21ALEU A 39 28.542 -27.823 -0.926 0.70 30.98 H new ATOM 0 HD21BLEU A 39 31.263 -28.219 -0.187 0.30 30.98 H new ATOM 0 HD22ALEU A 39 29.895 -27.733 -1.744 0.70 30.98 H new ATOM 0 HD22BLEU A 39 30.286 -29.451 0.005 0.30 30.98 H new ATOM 0 HD23ALEU A 39 28.542 -28.086 -2.487 0.70 30.98 H new ATOM 0 HD23BLEU A 39 31.742 -29.677 -0.576 0.30 30.98 H new ATOM 339 N LYS A 40 30.555 -29.521 -5.994 1.00 20.80 N ANISOU 339 N LYS A 40 2513 3052 2339 -340 -136 143 N ATOM 340 CA LYS A 40 31.558 -29.533 -7.023 1.00 21.48 C ANISOU 340 CA LYS A 40 2612 3149 2402 -354 -127 116 C ATOM 341 C LYS A 40 32.872 -28.992 -6.458 1.00 19.54 C ANISOU 341 C LYS A 40 2379 2866 2179 -325 -106 101 C ATOM 342 O LYS A 40 32.870 -28.244 -5.472 1.00 18.76 O ANISOU 342 O LYS A 40 2276 2743 2109 -293 -100 123 O ATOM 343 CB LYS A 40 31.118 -28.680 -8.218 1.00 22.98 C ANISOU 343 CB LYS A 40 2787 3388 2557 -370 -137 151 C ATOM 344 CG LYS A 40 29.846 -29.185 -8.898 1.00 25.94 C ANISOU 344 CG LYS A 40 3146 3806 2903 -403 -160 167 C ATOM 345 CD LYS A 40 29.401 -28.290 -10.046 1.00 29.20 C ANISOU 345 CD LYS A 40 3543 4270 3281 -417 -173 207 C ATOM 346 CE LYS A 40 28.135 -28.835 -10.694 1.00 33.52 C ANISOU 346 CE LYS A 40 4073 4864 3800 -451 -198 222 C ATOM 347 NZ LYS A 40 27.678 -27.992 -11.830 1.00 41.84 N ANISOU 347 NZ LYS A 40 5110 5971 4818 -466 -214 264 N ATOM 0 H LYS A 40 29.959 -28.908 -6.085 1.00 20.80 H new ATOM 0 HA LYS A 40 31.683 -30.446 -7.327 1.00 21.48 H new ATOM 0 HB2 LYS A 40 30.975 -27.768 -7.919 1.00 22.98 H new ATOM 0 HB3 LYS A 40 31.836 -28.656 -8.870 1.00 22.98 H new ATOM 0 HG2 LYS A 40 29.997 -30.083 -9.232 1.00 25.94 H new ATOM 0 HG3 LYS A 40 29.134 -29.242 -8.242 1.00 25.94 H new ATOM 0 HD2 LYS A 40 29.241 -27.391 -9.718 1.00 29.20 H new ATOM 0 HD3 LYS A 40 30.108 -28.229 -10.707 1.00 29.20 H new ATOM 0 HE2 LYS A 40 28.298 -29.738 -11.008 1.00 33.52 H new ATOM 0 HE3 LYS A 40 27.431 -28.889 -10.029 1.00 33.52 H new ATOM 0 HZ1 LYS A 40 26.939 -28.342 -12.181 1.00 41.84 H new ATOM 0 HZ2 LYS A 40 27.507 -27.169 -11.539 1.00 41.84 H new ATOM 0 HZ3 LYS A 40 28.315 -27.960 -12.451 1.00 41.84 H new ATOM 348 N PRO A 41 33.996 -29.371 -7.082 1.00 19.44 N ANISOU 348 N PRO A 41 2382 2850 2156 -335 -94 62 N ATOM 349 CA PRO A 41 35.269 -28.811 -6.657 1.00 18.75 C ANISOU 349 CA PRO A 41 2303 2733 2088 -310 -75 48 C ATOM 350 C PRO A 41 35.218 -27.289 -6.581 1.00 18.12 C ANISOU 350 C PRO A 41 2213 2660 2013 -290 -70 92 C ATOM 351 O PRO A 41 34.756 -26.619 -7.500 1.00 18.42 O ANISOU 351 O PRO A 41 2241 2733 2024 -303 -77 122 O ATOM 352 CB PRO A 41 36.241 -29.282 -7.736 1.00 20.16 C ANISOU 352 CB PRO A 41 2493 2924 2243 -332 -64 8 C ATOM 353 CG PRO A 41 35.651 -30.555 -8.221 1.00 22.97 C ANISOU 353 CG PRO A 41 2853 3294 2582 -363 -75 -18 C ATOM 354 CD PRO A 41 34.169 -30.315 -8.201 1.00 22.94 C ANISOU 354 CD PRO A 41 2833 3316 2567 -372 -96 26 C ATOM 0 HA PRO A 41 35.524 -29.097 -5.766 1.00 18.75 H new ATOM 0 HB2 PRO A 41 36.320 -28.632 -8.451 1.00 20.16 H new ATOM 0 HB3 PRO A 41 37.132 -29.418 -7.377 1.00 20.16 H new ATOM 0 HG2 PRO A 41 35.962 -30.770 -9.114 1.00 22.97 H new ATOM 0 HG3 PRO A 41 35.896 -31.299 -7.648 1.00 22.97 H new ATOM 0 HD2 PRO A 41 33.855 -29.939 -9.039 1.00 22.94 H new ATOM 0 HD3 PRO A 41 33.675 -31.137 -8.056 1.00 22.94 H new ATOM 355 N GLY A 42 35.670 -26.757 -5.456 1.00 16.60 N ANISOU 355 N GLY A 42 2023 2431 1853 -258 -60 97 N ATOM 356 CA GLY A 42 35.720 -25.332 -5.250 1.00 18.68 C ANISOU 356 CA GLY A 42 2279 2691 2127 -237 -53 133 C ATOM 357 C GLY A 42 34.479 -24.727 -4.643 1.00 19.79 C ANISOU 357 C GLY A 42 2404 2834 2281 -221 -63 177 C ATOM 358 O GLY A 42 34.523 -23.579 -4.208 1.00 24.64 O ANISOU 358 O GLY A 42 3013 3435 2913 -198 -55 203 O ATOM 0 H GLY A 42 35.957 -27.220 -4.790 1.00 16.60 H new ATOM 0 HA2 GLY A 42 36.475 -25.129 -4.676 1.00 18.68 H new ATOM 0 HA3 GLY A 42 35.888 -24.902 -6.103 1.00 18.68 H new ATOM 359 N ASP A 43 33.374 -25.482 -4.630 1.00 20.04 N ANISOU 359 N ASP A 43 2427 2882 2306 -235 -79 183 N ATOM 360 CA AASP A 43 32.164 -24.860 -4.140 0.50 21.20 C ANISOU 360 CA AASP A 43 2555 3036 2465 -220 -87 226 C ATOM 361 CA BASP A 43 32.009 -25.078 -4.157 0.50 21.41 C ANISOU 361 CA BASP A 43 2581 3066 2490 -224 -90 224 C ATOM 362 C ASP A 43 31.997 -24.941 -2.615 1.00 17.83 C ANISOU 362 C ASP A 43 2129 2573 2073 -195 -81 222 C ATOM 363 O ASP A 43 32.617 -25.752 -1.917 1.00 16.58 O ANISOU 363 O ASP A 43 1985 2388 1926 -194 -75 188 O ATOM 364 CB AASP A 43 30.950 -25.380 -4.874 0.50 25.16 C ANISOU 364 CB AASP A 43 3040 3577 2941 -246 -108 244 C ATOM 365 CB BASP A 43 30.910 -26.171 -4.449 0.50 25.15 C ANISOU 365 CB BASP A 43 3045 3566 2946 -251 -110 223 C ATOM 366 CG AASP A 43 30.866 -24.843 -6.288 0.50 27.45 C ANISOU 366 CG AASP A 43 3324 3909 3199 -265 -117 266 C ATOM 367 CG BASP A 43 30.242 -26.093 -5.853 0.50 26.07 C ANISOU 367 CG BASP A 43 3148 3733 3025 -280 -127 245 C ATOM 368 OD1AASP A 43 31.660 -23.949 -6.686 0.50 28.07 O ANISOU 368 OD1AASP A 43 3408 3984 3275 -257 -105 274 O ATOM 369 OD1BASP A 43 30.563 -25.204 -6.669 0.50 25.87 O ANISOU 369 OD1BASP A 43 3120 3726 2985 -280 -125 265 O ATOM 370 OD2AASP A 43 29.988 -25.312 -7.004 0.50 28.07 O ANISOU 370 OD2AASP A 43 3390 4025 3252 -291 -135 277 O ATOM 371 OD2BASP A 43 29.338 -26.963 -6.118 0.50 26.26 O ANISOU 371 OD2BASP A 43 3163 3781 3034 -305 -143 243 O ATOM 0 H AASP A 43 33.312 -26.301 -4.884 0.50 20.04 H new ATOM 0 H BASP A 43 33.387 -26.295 -4.911 0.50 20.04 H new ATOM 0 HA AASP A 43 32.250 -23.913 -4.332 0.50 21.41 H new ATOM 0 HA BASP A 43 31.815 -24.251 -4.626 0.50 21.41 H new ATOM 0 HB2AASP A 43 30.979 -26.349 -4.899 0.50 25.15 H new ATOM 0 HB2BASP A 43 31.313 -27.047 -4.348 0.50 25.15 H new ATOM 0 HB3AASP A 43 30.148 -25.132 -4.387 0.50 25.15 H new ATOM 0 HB3BASP A 43 30.217 -26.099 -3.774 0.50 25.15 H new ATOM 372 N THR A 44 31.198 -24.006 -2.112 1.00 19.86 N ANISOU 372 N THR A 44 2370 2830 2346 -174 -79 260 N ATOM 373 CA THR A 44 30.893 -23.887 -0.687 1.00 18.61 C ANISOU 373 CA THR A 44 2209 2644 2217 -150 -71 261 C ATOM 374 C THR A 44 29.365 -23.941 -0.563 1.00 20.47 C ANISOU 374 C THR A 44 2420 2903 2454 -152 -83 293 C ATOM 375 O THR A 44 28.666 -23.299 -1.349 1.00 28.34 O ANISOU 375 O THR A 44 3398 3929 3441 -154 -92 327 O ATOM 376 CB THR A 44 31.462 -22.569 -0.095 1.00 21.15 C ANISOU 376 CB THR A 44 2535 2939 2563 -120 -53 272 C ATOM 377 OG1 THR A 44 32.876 -22.511 -0.291 1.00 21.30 O ANISOU 377 OG1 THR A 44 2573 2940 2580 -121 -42 244 O ATOM 378 CG2 THR A 44 31.187 -22.423 1.389 1.00 23.69 C ANISOU 378 CG2 THR A 44 2855 3233 2912 -98 -42 270 C ATOM 0 H THR A 44 30.810 -23.411 -2.597 1.00 19.86 H new ATOM 0 HA THR A 44 31.306 -24.606 -0.184 1.00 18.61 H new ATOM 0 HB THR A 44 31.014 -21.847 -0.562 1.00 21.15 H new ATOM 0 HG1 THR A 44 33.178 -23.289 -0.388 1.00 21.30 H new ATOM 0 HG21 THR A 44 31.562 -21.587 1.707 1.00 23.69 H new ATOM 0 HG22 THR A 44 30.229 -22.427 1.543 1.00 23.69 H new ATOM 0 HG23 THR A 44 31.594 -23.162 1.868 1.00 23.69 H new ATOM 379 N ALA A 45 28.869 -24.718 0.403 1.00 17.54 N ANISOU 379 N ALA A 45 2048 2522 2094 -153 -85 282 N ATOM 380 CA ALA A 45 27.462 -24.792 0.778 1.00 18.24 C ANISOU 380 CA ALA A 45 2113 2630 2188 -153 -92 308 C ATOM 381 C ALA A 45 27.342 -24.503 2.266 1.00 17.71 C ANISOU 381 C ALA A 45 2046 2534 2148 -129 -76 307 C ATOM 382 O ALA A 45 28.218 -24.852 3.046 1.00 21.44 O ANISOU 382 O ALA A 45 2540 2976 2629 -124 -67 279 O ATOM 383 CB ALA A 45 26.903 -26.162 0.483 1.00 21.49 C ANISOU 383 CB ALA A 45 2523 3060 2581 -186 -109 295 C ATOM 0 H ALA A 45 29.367 -25.236 0.875 1.00 17.54 H new ATOM 0 HA ALA A 45 26.959 -24.141 0.265 1.00 18.24 H new ATOM 0 HB1 ALA A 45 25.968 -26.192 0.739 1.00 21.49 H new ATOM 0 HB2 ALA A 45 26.985 -26.348 -0.466 1.00 21.49 H new ATOM 0 HB3 ALA A 45 27.397 -26.828 0.986 1.00 21.49 H new ATOM 384 N LEU A 46 26.250 -23.868 2.669 1.00 16.24 N ANISOU 384 N LEU A 46 1834 2360 1976 -113 -73 337 N ATOM 385 CA LEU A 46 25.970 -23.639 4.080 1.00 16.24 C ANISOU 385 CA LEU A 46 1832 2338 1999 -93 -57 336 C ATOM 386 C LEU A 46 24.993 -24.716 4.530 1.00 17.19 C ANISOU 386 C LEU A 46 1942 2476 2115 -113 -66 335 C ATOM 387 O LEU A 46 23.859 -24.769 4.073 1.00 21.10 O ANISOU 387 O LEU A 46 2410 3004 2605 -122 -77 360 O ATOM 388 CB LEU A 46 25.401 -22.236 4.310 1.00 18.06 C ANISOU 388 CB LEU A 46 2041 2569 2252 -62 -43 366 C ATOM 389 CG LEU A 46 25.347 -21.806 5.781 1.00 19.34 C ANISOU 389 CG LEU A 46 2205 2705 2437 -39 -21 358 C ATOM 390 CD1 LEU A 46 26.736 -21.681 6.381 1.00 19.84 C ANISOU 390 CD1 LEU A 46 2300 2732 2505 -32 -8 327 C ATOM 391 CD2 LEU A 46 24.597 -20.490 5.938 1.00 22.92 C ANISOU 391 CD2 LEU A 46 2633 3159 2915 -9 -7 388 C ATOM 0 H LEU A 46 25.652 -23.558 2.135 1.00 16.24 H new ATOM 0 HA LEU A 46 26.787 -23.690 4.600 1.00 16.24 H new ATOM 0 HB2 LEU A 46 25.939 -21.596 3.817 1.00 18.06 H new ATOM 0 HB3 LEU A 46 24.505 -22.198 3.940 1.00 18.06 H new ATOM 0 HG LEU A 46 24.870 -22.500 6.262 1.00 19.34 H new ATOM 0 HD11 LEU A 46 26.664 -21.408 7.309 1.00 19.84 H new ATOM 0 HD12 LEU A 46 27.189 -22.537 6.330 1.00 19.84 H new ATOM 0 HD13 LEU A 46 27.243 -21.017 5.888 1.00 19.84 H new ATOM 0 HD21 LEU A 46 24.576 -20.239 6.875 1.00 22.92 H new ATOM 0 HD22 LEU A 46 25.047 -19.798 5.428 1.00 22.92 H new ATOM 0 HD23 LEU A 46 23.690 -20.593 5.611 1.00 22.92 H new ATOM 392 N VAL A 47 25.471 -25.603 5.387 1.00 14.90 N ANISOU 392 N VAL A 47 1673 2164 1825 -122 -63 308 N ATOM 393 CA VAL A 47 24.743 -26.812 5.730 1.00 15.56 C ANISOU 393 CA VAL A 47 1752 2258 1900 -148 -73 303 C ATOM 394 C VAL A 47 24.224 -26.699 7.164 1.00 14.82 C ANISOU 394 C VAL A 47 1653 2155 1823 -135 -58 307 C ATOM 395 O VAL A 47 25.004 -26.502 8.102 1.00 15.28 O ANISOU 395 O VAL A 47 1731 2184 1891 -121 -44 291 O ATOM 396 CB VAL A 47 25.645 -28.048 5.606 1.00 16.21 C ANISOU 396 CB VAL A 47 1865 2322 1972 -171 -83 270 C ATOM 397 CG1 VAL A 47 24.921 -29.316 6.058 1.00 17.95 C ANISOU 397 CG1 VAL A 47 2086 2548 2188 -198 -93 266 C ATOM 398 CG2 VAL A 47 26.118 -28.219 4.168 1.00 17.66 C ANISOU 398 CG2 VAL A 47 2053 2518 2137 -186 -96 262 C ATOM 0 H VAL A 47 26.228 -25.521 5.787 1.00 14.90 H new ATOM 0 HA VAL A 47 24.000 -26.912 5.115 1.00 15.56 H new ATOM 0 HB VAL A 47 26.411 -27.909 6.185 1.00 16.21 H new ATOM 0 HG11 VAL A 47 25.515 -30.078 5.968 1.00 17.95 H new ATOM 0 HG12 VAL A 47 24.653 -29.223 6.986 1.00 17.95 H new ATOM 0 HG13 VAL A 47 24.134 -29.453 5.507 1.00 17.95 H new ATOM 0 HG21 VAL A 47 26.686 -29.003 4.105 1.00 17.66 H new ATOM 0 HG22 VAL A 47 25.350 -28.329 3.586 1.00 17.66 H new ATOM 0 HG23 VAL A 47 26.619 -27.434 3.897 1.00 17.66 H new ATOM 399 N PRO A 48 22.907 -26.804 7.355 1.00 15.51 N ANISOU 399 N PRO A 48 1712 2269 1911 -142 -60 329 N ATOM 400 CA PRO A 48 22.393 -26.754 8.725 1.00 16.31 C ANISOU 400 CA PRO A 48 1808 2365 2026 -134 -43 330 C ATOM 401 C PRO A 48 22.669 -28.016 9.508 1.00 16.27 C ANISOU 401 C PRO A 48 1826 2344 2013 -157 -47 310 C ATOM 402 O PRO A 48 22.757 -29.090 8.931 1.00 16.95 O ANISOU 402 O PRO A 48 1922 2433 2086 -185 -65 301 O ATOM 403 CB PRO A 48 20.894 -26.599 8.552 1.00 19.45 C ANISOU 403 CB PRO A 48 2165 2800 2426 -138 -45 359 C ATOM 404 CG PRO A 48 20.607 -26.776 7.120 1.00 21.76 C ANISOU 404 CG PRO A 48 2444 3119 2704 -154 -68 372 C ATOM 405 CD PRO A 48 21.853 -26.977 6.354 1.00 17.59 C ANISOU 405 CD PRO A 48 1947 2572 2165 -159 -77 351 C ATOM 0 HA PRO A 48 22.818 -26.037 9.222 1.00 16.31 H new ATOM 0 HB2 PRO A 48 20.417 -27.257 9.082 1.00 19.45 H new ATOM 0 HB3 PRO A 48 20.602 -25.725 8.855 1.00 19.45 H new ATOM 0 HG2 PRO A 48 20.020 -27.538 6.996 1.00 21.76 H new ATOM 0 HG3 PRO A 48 20.137 -25.998 6.782 1.00 21.76 H new ATOM 0 HD2 PRO A 48 21.885 -27.859 5.951 1.00 17.59 H new ATOM 0 HD3 PRO A 48 21.936 -26.333 5.634 1.00 17.59 H new ATOM 406 N THR A 49 22.765 -27.875 10.822 1.00 16.59 N ANISOU 406 N THR A 49 1874 2368 2061 -147 -30 304 N ATOM 407 CA THR A 49 22.908 -29.020 11.724 1.00 16.86 C ANISOU 407 CA THR A 49 1929 2389 2089 -168 -33 291 C ATOM 408 C THR A 49 21.594 -29.411 12.385 1.00 17.05 C ANISOU 408 C THR A 49 1930 2437 2111 -184 -28 307 C ATOM 409 O THR A 49 21.517 -30.490 12.973 1.00 17.93 O ANISOU 409 O THR A 49 2056 2543 2216 -209 -34 302 O ATOM 410 CB THR A 49 23.889 -28.729 12.871 1.00 16.99 C ANISOU 410 CB THR A 49 1971 2375 2111 -152 -19 274 C ATOM 411 OG1 THR A 49 23.390 -27.633 13.653 1.00 16.45 O ANISOU 411 OG1 THR A 49 1885 2314 2052 -129 5 283 O ATOM 412 CG2 THR A 49 25.282 -28.446 12.337 1.00 17.32 C ANISOU 412 CG2 THR A 49 2035 2391 2154 -139 -23 256 C ATOM 0 H THR A 49 22.750 -27.113 11.221 1.00 16.59 H new ATOM 0 HA THR A 49 23.232 -29.737 11.157 1.00 16.86 H new ATOM 0 HB THR A 49 23.959 -29.511 13.440 1.00 16.99 H new ATOM 0 HG1 THR A 49 23.661 -26.909 13.325 1.00 16.45 H new ATOM 0 HG21 THR A 49 25.882 -28.266 13.077 1.00 17.32 H new ATOM 0 HG22 THR A 49 25.602 -29.217 11.842 1.00 17.32 H new ATOM 0 HG23 THR A 49 25.253 -27.675 11.750 1.00 17.32 H new ATOM 413 N GLY A 50 20.596 -28.527 12.346 1.00 17.92 N ANISOU 413 N GLY A 50 2005 2574 2230 -169 -16 328 N ATOM 414 CA GLY A 50 19.350 -28.760 13.059 1.00 19.15 C ANISOU 414 CA GLY A 50 2135 2755 2386 -181 -6 342 C ATOM 415 C GLY A 50 19.438 -28.573 14.561 1.00 18.28 C ANISOU 415 C GLY A 50 2034 2632 2278 -173 17 334 C ATOM 416 O GLY A 50 18.504 -28.926 15.272 1.00 20.40 O ANISOU 416 O GLY A 50 2287 2921 2545 -187 26 343 O ATOM 0 H GLY A 50 20.625 -27.786 11.910 1.00 17.92 H new ATOM 0 HA2 GLY A 50 18.674 -28.159 12.709 1.00 19.15 H new ATOM 0 HA3 GLY A 50 19.050 -29.664 12.874 1.00 19.15 H new ATOM 417 N LEU A 51 20.549 -28.001 15.037 1.00 16.86 N ANISOU 417 N LEU A 51 1880 2422 2102 -151 27 317 N ATOM 418 CA LEU A 51 20.831 -27.876 16.466 1.00 16.87 C ANISOU 418 CA LEU A 51 1897 2411 2101 -147 47 306 C ATOM 419 C LEU A 51 21.332 -26.487 16.803 1.00 16.12 C ANISOU 419 C LEU A 51 1802 2302 2019 -111 69 297 C ATOM 420 O LEU A 51 21.972 -25.842 15.979 1.00 17.38 O ANISOU 420 O LEU A 51 1966 2449 2188 -93 64 294 O ATOM 421 CB LEU A 51 21.926 -28.855 16.888 1.00 18.26 C ANISOU 421 CB LEU A 51 2113 2559 2265 -164 33 290 C ATOM 422 CG LEU A 51 21.677 -30.320 16.599 1.00 19.64 C ANISOU 422 CG LEU A 51 2296 2736 2429 -200 10 294 C ATOM 423 CD1 LEU A 51 22.920 -31.119 16.947 1.00 21.11 C ANISOU 423 CD1 LEU A 51 2522 2889 2610 -208 -4 278 C ATOM 424 CD2 LEU A 51 20.468 -30.794 17.388 1.00 21.56 C ANISOU 424 CD2 LEU A 51 2521 3005 2666 -222 19 309 C ATOM 0 H LEU A 51 21.163 -27.673 14.533 1.00 16.86 H new ATOM 0 HA LEU A 51 20.000 -28.062 16.931 1.00 16.87 H new ATOM 0 HB2 LEU A 51 22.750 -28.595 16.448 1.00 18.26 H new ATOM 0 HB3 LEU A 51 22.070 -28.755 17.842 1.00 18.26 H new ATOM 0 HG LEU A 51 21.489 -30.450 15.656 1.00 19.64 H new ATOM 0 HD11 LEU A 51 22.763 -32.058 16.763 1.00 21.11 H new ATOM 0 HD12 LEU A 51 23.667 -30.805 16.413 1.00 21.11 H new ATOM 0 HD13 LEU A 51 23.126 -31.004 17.888 1.00 21.11 H new ATOM 0 HD21 LEU A 51 20.308 -31.733 17.203 1.00 21.56 H new ATOM 0 HD22 LEU A 51 20.634 -30.675 18.336 1.00 21.56 H new ATOM 0 HD23 LEU A 51 19.689 -30.277 17.129 1.00 21.56 H new ATOM 425 N ALA A 52 21.063 -26.063 18.033 1.00 17.29 N ANISOU 425 N ALA A 52 1949 2453 2168 -104 94 291 N ATOM 426 CA ALA A 52 21.668 -24.860 18.610 1.00 16.97 C ANISOU 426 CA ALA A 52 1916 2394 2137 -76 118 276 C ATOM 427 C ALA A 52 22.173 -25.193 19.996 1.00 16.48 C ANISOU 427 C ALA A 52 1880 2323 2060 -87 128 260 C ATOM 428 O ALA A 52 21.562 -25.985 20.700 1.00 17.99 O ANISOU 428 O ALA A 52 2068 2530 2237 -111 129 265 O ATOM 429 CB ALA A 52 20.660 -23.723 18.700 1.00 17.82 C ANISOU 429 CB ALA A 52 1988 2518 2264 -51 144 285 C ATOM 0 H ALA A 52 20.520 -26.467 18.563 1.00 17.29 H new ATOM 0 HA ALA A 52 22.396 -24.571 18.038 1.00 16.97 H new ATOM 0 HB1 ALA A 52 21.087 -22.942 19.085 1.00 17.82 H new ATOM 0 HB2 ALA A 52 20.334 -23.509 17.812 1.00 17.82 H new ATOM 0 HB3 ALA A 52 19.916 -23.993 19.261 1.00 17.82 H new ATOM 430 N ILE A 53 23.291 -24.600 20.388 1.00 16.05 N ANISOU 430 N ILE A 53 1849 2243 2005 -73 134 240 N ATOM 431 CA ILE A 53 23.804 -24.752 21.737 1.00 16.72 C ANISOU 431 CA ILE A 53 1957 2321 2073 -83 144 224 C ATOM 432 C ILE A 53 23.901 -23.399 22.415 1.00 16.63 C ANISOU 432 C ILE A 53 1943 2305 2071 -59 176 207 C ATOM 433 O ILE A 53 23.900 -22.340 21.766 1.00 18.37 O ANISOU 433 O ILE A 53 2150 2515 2313 -33 186 206 O ATOM 434 CB ILE A 53 25.189 -25.451 21.793 1.00 16.05 C ANISOU 434 CB ILE A 53 1908 2213 1978 -94 120 213 C ATOM 435 CG1 ILE A 53 26.261 -24.624 21.086 1.00 16.47 C ANISOU 435 CG1 ILE A 53 1971 2242 2045 -71 117 200 C ATOM 436 CG2 ILE A 53 25.081 -26.857 21.232 1.00 17.66 C ANISOU 436 CG2 ILE A 53 2117 2418 2174 -119 91 227 C ATOM 437 CD1 ILE A 53 27.670 -25.151 21.251 1.00 17.43 C ANISOU 437 CD1 ILE A 53 2123 2341 2157 -78 97 186 C ATOM 0 H ILE A 53 23.772 -24.100 19.880 1.00 16.05 H new ATOM 0 HA ILE A 53 23.174 -25.323 22.204 1.00 16.72 H new ATOM 0 HB ILE A 53 25.468 -25.521 22.719 1.00 16.05 H new ATOM 0 HG12 ILE A 53 26.051 -24.585 20.140 1.00 16.47 H new ATOM 0 HG13 ILE A 53 26.226 -23.715 21.422 1.00 16.47 H new ATOM 0 HG21 ILE A 53 25.949 -27.288 21.270 1.00 17.66 H new ATOM 0 HG22 ILE A 53 24.444 -27.367 21.757 1.00 17.66 H new ATOM 0 HG23 ILE A 53 24.781 -26.816 20.311 1.00 17.66 H new ATOM 0 HD11 ILE A 53 28.289 -24.575 20.776 1.00 17.43 H new ATOM 0 HD12 ILE A 53 27.902 -25.167 22.193 1.00 17.43 H new ATOM 0 HD13 ILE A 53 27.724 -26.050 20.890 1.00 17.43 H new ATOM 438 N HIS A 54 23.997 -23.438 23.732 1.00 17.07 N ANISOU 438 N HIS A 54 2012 2365 2110 -70 191 194 N ATOM 439 CA HIS A 54 24.251 -22.233 24.497 1.00 18.20 C ANISOU 439 CA HIS A 54 2157 2500 2257 -52 222 172 C ATOM 440 C HIS A 54 25.316 -22.522 25.530 1.00 17.60 C ANISOU 440 C HIS A 54 2116 2415 2157 -67 217 154 C ATOM 441 O HIS A 54 25.023 -23.028 26.607 1.00 18.96 O ANISOU 441 O HIS A 54 2294 2604 2305 -89 224 152 O ATOM 442 CB HIS A 54 22.976 -21.683 25.149 1.00 19.59 C ANISOU 442 CB HIS A 54 2306 2700 2438 -46 256 171 C ATOM 443 CG HIS A 54 23.193 -20.385 25.856 1.00 20.65 C ANISOU 443 CG HIS A 54 2443 2822 2580 -26 290 145 C ATOM 444 ND1 HIS A 54 22.468 -20.006 26.964 1.00 23.20 N ANISOU 444 ND1 HIS A 54 2756 3164 2895 -28 325 131 N ATOM 445 CD2 HIS A 54 24.103 -19.406 25.650 1.00 20.43 C ANISOU 445 CD2 HIS A 54 2429 2766 2566 -6 296 127 C ATOM 446 CE1 HIS A 54 22.894 -18.829 27.385 1.00 25.60 C ANISOU 446 CE1 HIS A 54 3067 3450 3210 -9 351 105 C ATOM 447 NE2 HIS A 54 23.879 -18.439 26.597 1.00 23.82 N ANISOU 447 NE2 HIS A 54 2856 3195 2999 5 333 103 N ATOM 0 H HIS A 54 23.918 -24.153 24.203 1.00 17.07 H new ATOM 0 HA HIS A 54 24.565 -21.542 23.893 1.00 18.20 H new ATOM 0 HB2 HIS A 54 22.296 -21.564 24.468 1.00 19.59 H new ATOM 0 HB3 HIS A 54 22.634 -22.336 25.780 1.00 19.59 H new ATOM 0 HD1 HIS A 54 21.836 -20.464 27.325 1.00 23.20 H new ATOM 0 HD2 HIS A 54 24.758 -19.391 24.990 1.00 20.43 H new ATOM 0 HE1 HIS A 54 22.558 -18.356 28.112 1.00 25.60 H new ATOM 448 N LEU A 55 26.567 -22.216 25.202 1.00 16.95 N ANISOU 448 N LEU A 55 2053 2307 2079 -59 203 141 N ATOM 449 CA LEU A 55 27.659 -22.511 26.135 1.00 18.36 C ANISOU 449 CA LEU A 55 2263 2478 2235 -74 194 126 C ATOM 450 C LEU A 55 27.500 -21.749 27.445 1.00 20.17 C ANISOU 450 C LEU A 55 2496 2717 2451 -76 226 104 C ATOM 451 O LEU A 55 27.786 -22.291 28.513 1.00 22.58 O ANISOU 451 O LEU A 55 2818 3033 2727 -98 222 100 O ATOM 452 CB LEU A 55 29.005 -22.195 25.507 1.00 19.33 C ANISOU 452 CB LEU A 55 2402 2574 2368 -62 177 114 C ATOM 453 CG LEU A 55 29.416 -23.090 24.343 1.00 19.60 C ANISOU 453 CG LEU A 55 2439 2599 2411 -65 144 130 C ATOM 454 CD1 LEU A 55 30.450 -22.389 23.471 1.00 22.43 C ANISOU 454 CD1 LEU A 55 2802 2933 2786 -47 139 118 C ATOM 455 CD2 LEU A 55 29.968 -24.399 24.846 1.00 21.23 C ANISOU 455 CD2 LEU A 55 2665 2805 2597 -88 117 136 C ATOM 0 H LEU A 55 26.805 -21.846 24.463 1.00 16.95 H new ATOM 0 HA LEU A 55 27.620 -23.460 26.333 1.00 18.36 H new ATOM 0 HB2 LEU A 55 28.992 -21.276 25.198 1.00 19.33 H new ATOM 0 HB3 LEU A 55 29.686 -22.253 26.195 1.00 19.33 H new ATOM 0 HG LEU A 55 28.627 -23.272 23.809 1.00 19.60 H new ATOM 0 HD11 LEU A 55 30.701 -22.970 22.736 1.00 22.43 H new ATOM 0 HD12 LEU A 55 30.073 -21.567 23.119 1.00 22.43 H new ATOM 0 HD13 LEU A 55 31.235 -22.183 24.002 1.00 22.43 H new ATOM 0 HD21 LEU A 55 30.223 -24.954 24.092 1.00 21.23 H new ATOM 0 HD22 LEU A 55 30.745 -24.231 25.401 1.00 21.23 H new ATOM 0 HD23 LEU A 55 29.291 -24.856 25.369 1.00 21.23 H new ATOM 456 N ALA A 56 27.104 -20.485 27.321 1.00 19.83 N ANISOU 456 N ALA A 56 2438 2669 2429 -52 257 91 N ATOM 457 CA ALA A 56 26.671 -19.615 28.429 1.00 22.00 C ANISOU 457 CA ALA A 56 2709 2953 2696 -50 295 68 C ATOM 458 C ALA A 56 27.814 -19.062 29.291 1.00 22.56 C ANISOU 458 C ALA A 56 2808 3012 2752 -56 301 38 C ATOM 459 O ALA A 56 27.831 -17.870 29.616 1.00 28.93 O ANISOU 459 O ALA A 56 3613 3808 3570 -41 331 13 O ATOM 460 CB ALA A 56 25.614 -20.305 29.279 1.00 22.66 C ANISOU 460 CB ALA A 56 2783 3070 2758 -71 307 77 C ATOM 0 H ALA A 56 27.077 -20.088 26.558 1.00 19.83 H new ATOM 0 HA ALA A 56 26.278 -18.834 28.008 1.00 22.00 H new ATOM 0 HB1 ALA A 56 25.344 -19.716 30.001 1.00 22.66 H new ATOM 0 HB2 ALA A 56 24.843 -20.516 28.729 1.00 22.66 H new ATOM 0 HB3 ALA A 56 25.980 -21.123 29.650 1.00 22.66 H new ATOM 461 N ASP A 57 28.774 -19.913 29.634 1.00 21.32 N ANISOU 461 N ASP A 57 2675 2856 2571 -77 271 41 N ATOM 462 CA ASP A 57 29.905 -19.524 30.455 1.00 21.46 C ANISOU 462 CA ASP A 57 2718 2866 2570 -87 270 16 C ATOM 463 C ASP A 57 30.943 -18.838 29.551 1.00 19.22 C ANISOU 463 C ASP A 57 2440 2552 2312 -68 260 6 C ATOM 464 O ASP A 57 31.495 -19.486 28.666 1.00 18.69 O ANISOU 464 O ASP A 57 2375 2473 2253 -66 229 22 O ATOM 465 CB ASP A 57 30.476 -20.793 31.101 1.00 22.71 C ANISOU 465 CB ASP A 57 2896 3039 2695 -116 238 29 C ATOM 466 CG ASP A 57 31.607 -20.518 32.074 1.00 24.15 C ANISOU 466 CG ASP A 57 3103 3222 2853 -130 234 6 C ATOM 467 OD1 ASP A 57 32.247 -19.451 32.001 1.00 23.56 O ANISOU 467 OD1 ASP A 57 3032 3130 2790 -118 247 -20 O ATOM 468 OD2 ASP A 57 31.847 -21.401 32.923 1.00 29.90 O ANISOU 468 OD2 ASP A 57 3844 3967 3548 -155 216 16 O ATOM 0 H ASP A 57 28.784 -20.739 29.393 1.00 21.32 H new ATOM 0 HA ASP A 57 29.649 -18.903 31.155 1.00 21.46 H new ATOM 0 HB2 ASP A 57 29.764 -21.259 31.567 1.00 22.71 H new ATOM 0 HB3 ASP A 57 30.795 -21.387 30.404 1.00 22.71 H new ATOM 469 N PRO A 58 31.228 -17.533 29.777 1.00 19.71 N ANISOU 469 N PRO A 58 2504 2598 2385 -55 287 -23 N ATOM 470 CA PRO A 58 32.176 -16.817 28.910 1.00 20.73 C ANISOU 470 CA PRO A 58 2638 2698 2539 -39 280 -31 C ATOM 471 C PRO A 58 33.633 -17.291 29.044 1.00 18.44 C ANISOU 471 C PRO A 58 2370 2402 2233 -54 249 -37 C ATOM 472 O PRO A 58 34.503 -16.845 28.302 1.00 20.24 O ANISOU 472 O PRO A 58 2602 2609 2480 -44 240 -43 O ATOM 473 CB PRO A 58 32.032 -15.355 29.353 1.00 24.65 C ANISOU 473 CB PRO A 58 3135 3181 3050 -27 320 -62 C ATOM 474 CG PRO A 58 31.526 -15.427 30.742 1.00 28.72 C ANISOU 474 CG PRO A 58 3655 3721 3535 -45 341 -79 C ATOM 475 CD PRO A 58 30.690 -16.663 30.837 1.00 23.34 C ANISOU 475 CD PRO A 58 2963 3067 2836 -57 327 -50 C ATOM 0 HA PRO A 58 31.973 -16.970 27.974 1.00 20.73 H new ATOM 0 HB2 PRO A 58 32.882 -14.890 29.312 1.00 24.65 H new ATOM 0 HB3 PRO A 58 31.417 -14.873 28.779 1.00 24.65 H new ATOM 0 HG2 PRO A 58 32.261 -15.460 31.374 1.00 28.72 H new ATOM 0 HG3 PRO A 58 31.001 -14.640 30.958 1.00 28.72 H new ATOM 0 HD2 PRO A 58 30.766 -17.078 31.711 1.00 23.34 H new ATOM 0 HD3 PRO A 58 29.750 -16.469 30.696 1.00 23.34 H new ATOM 476 N GLY A 59 33.888 -18.209 29.964 1.00 17.33 N ANISOU 476 N GLY A 59 2243 2283 2060 -78 232 -34 N ATOM 477 CA GLY A 59 35.179 -18.837 30.065 1.00 16.77 C ANISOU 477 CA GLY A 59 2188 2209 1975 -91 198 -33 C ATOM 478 C GLY A 59 35.405 -19.951 29.073 1.00 15.10 C ANISOU 478 C GLY A 59 1971 1991 1774 -87 164 -5 C ATOM 479 O GLY A 59 36.464 -20.560 29.101 1.00 15.59 O ANISOU 479 O GLY A 59 2045 2050 1830 -95 135 -3 O ATOM 0 H GLY A 59 33.314 -18.481 30.544 1.00 17.33 H new ATOM 0 HA2 GLY A 59 35.866 -18.163 29.941 1.00 16.77 H new ATOM 0 HA3 GLY A 59 35.286 -19.190 30.962 1.00 16.77 H new ATOM 480 N TYR A 60 34.420 -20.237 28.223 1.00 14.81 N ANISOU 480 N TYR A 60 1918 1954 1754 -76 167 15 N ATOM 481 CA TYR A 60 34.526 -21.330 27.243 1.00 14.05 C ANISOU 481 CA TYR A 60 1818 1852 1668 -75 137 38 C ATOM 482 C TYR A 60 34.054 -20.908 25.871 1.00 13.41 C ANISOU 482 C TYR A 60 1720 1760 1616 -54 143 47 C ATOM 483 O TYR A 60 33.247 -19.989 25.733 1.00 15.44 O ANISOU 483 O TYR A 60 1964 2017 1886 -41 171 44 O ATOM 484 CB TYR A 60 33.745 -22.566 27.703 1.00 15.73 C ANISOU 484 CB TYR A 60 2031 2084 1862 -92 125 61 C ATOM 485 CG TYR A 60 34.304 -23.107 28.988 1.00 17.98 C ANISOU 485 CG TYR A 60 2335 2380 2116 -114 112 59 C ATOM 486 CD1 TYR A 60 35.360 -23.996 28.980 1.00 20.00 C ANISOU 486 CD1 TYR A 60 2603 2628 2367 -122 78 66 C ATOM 487 CD2 TYR A 60 33.858 -22.621 30.208 1.00 22.10 C ANISOU 487 CD2 TYR A 60 2861 2922 2615 -127 136 47 C ATOM 488 CE1 TYR A 60 35.918 -24.443 30.161 1.00 23.92 C ANISOU 488 CE1 TYR A 60 3116 3136 2835 -141 64 67 C ATOM 489 CE2 TYR A 60 34.414 -23.047 31.392 1.00 26.05 C ANISOU 489 CE2 TYR A 60 3379 3437 3083 -149 124 45 C ATOM 490 CZ TYR A 60 35.439 -23.965 31.364 1.00 25.11 C ANISOU 490 CZ TYR A 60 3272 3309 2959 -156 86 57 C ATOM 491 OH TYR A 60 35.980 -24.400 32.547 1.00 36.59 O ANISOU 491 OH TYR A 60 4743 4779 4382 -178 71 60 O ATOM 0 H TYR A 60 33.675 -19.809 28.194 1.00 14.81 H new ATOM 0 HA TYR A 60 35.467 -21.557 27.182 1.00 14.05 H new ATOM 0 HB2 TYR A 60 32.811 -22.336 27.824 1.00 15.73 H new ATOM 0 HB3 TYR A 60 33.782 -23.250 27.017 1.00 15.73 H new ATOM 0 HD1 TYR A 60 35.700 -24.298 28.169 1.00 20.00 H new ATOM 0 HD2 TYR A 60 33.170 -21.995 30.226 1.00 22.10 H new ATOM 0 HE1 TYR A 60 36.612 -25.062 30.146 1.00 23.92 H new ATOM 0 HE2 TYR A 60 34.100 -22.718 32.203 1.00 26.05 H new ATOM 0 HH TYR A 60 35.590 -24.024 33.189 1.00 36.59 H new ATOM 492 N ALA A 61 34.568 -21.589 24.856 1.00 13.32 N ANISOU 492 N ALA A 61 1708 1737 1614 -52 118 58 N ATOM 493 CA ALA A 61 34.111 -21.427 23.484 1.00 12.33 C ANISOU 493 CA ALA A 61 1567 1606 1511 -37 118 70 C ATOM 494 C ALA A 61 34.176 -22.770 22.807 1.00 12.12 C ANISOU 494 C ALA A 61 1542 1581 1484 -46 88 87 C ATOM 495 O ALA A 61 34.760 -23.711 23.344 1.00 13.83 O ANISOU 495 O ALA A 61 1771 1796 1686 -59 68 88 O ATOM 496 CB ALA A 61 34.965 -20.436 22.724 1.00 13.01 C ANISOU 496 CB ALA A 61 1655 1673 1616 -22 123 57 C ATOM 0 H ALA A 61 35.200 -22.165 24.946 1.00 13.32 H new ATOM 0 HA ALA A 61 33.204 -21.084 23.493 1.00 12.33 H new ATOM 0 HB1 ALA A 61 34.634 -20.352 21.816 1.00 13.01 H new ATOM 0 HB2 ALA A 61 34.926 -19.572 23.163 1.00 13.01 H new ATOM 0 HB3 ALA A 61 35.883 -20.748 22.705 1.00 13.01 H new ATOM 497 N ALA A 62 33.586 -22.877 21.625 1.00 12.83 N ANISOU 497 N ALA A 62 1617 1671 1587 -39 86 101 N ATOM 498 CA ALA A 62 33.739 -24.104 20.848 1.00 12.69 C ANISOU 498 CA ALA A 62 1600 1651 1568 -48 59 112 C ATOM 499 C ALA A 62 34.440 -23.793 19.542 1.00 11.90 C ANISOU 499 C ALA A 62 1499 1540 1484 -37 52 107 C ATOM 500 O ALA A 62 34.193 -22.766 18.900 1.00 13.73 O ANISOU 500 O ALA A 62 1719 1771 1728 -24 68 108 O ATOM 501 CB ALA A 62 32.411 -24.778 20.576 1.00 14.29 C ANISOU 501 CB ALA A 62 1790 1870 1769 -57 57 132 C ATOM 0 H ALA A 62 33.103 -22.267 21.259 1.00 12.83 H new ATOM 0 HA ALA A 62 34.273 -24.721 21.372 1.00 12.69 H new ATOM 0 HB1 ALA A 62 32.558 -25.586 20.059 1.00 14.29 H new ATOM 0 HB2 ALA A 62 31.985 -25.006 21.417 1.00 14.29 H new ATOM 0 HB3 ALA A 62 31.838 -24.175 20.077 1.00 14.29 H new ATOM 502 N LEU A 63 35.328 -24.701 19.166 1.00 11.33 N ANISOU 502 N LEU A 63 1435 1457 1411 -43 29 102 N ATOM 503 CA LEU A 63 35.935 -24.709 17.850 1.00 11.95 C ANISOU 503 CA LEU A 63 1512 1529 1501 -38 21 97 C ATOM 504 C LEU A 63 35.246 -25.773 17.013 1.00 11.51 C ANISOU 504 C LEU A 63 1450 1479 1443 -48 6 110 C ATOM 505 O LEU A 63 35.020 -26.902 17.475 1.00 12.98 O ANISOU 505 O LEU A 63 1643 1666 1623 -61 -8 115 O ATOM 506 CB LEU A 63 37.430 -25.043 17.926 1.00 13.12 C ANISOU 506 CB LEU A 63 1673 1662 1651 -37 7 79 C ATOM 507 CG LEU A 63 38.275 -24.085 18.763 1.00 13.72 C ANISOU 507 CG LEU A 63 1755 1732 1727 -31 18 63 C ATOM 508 CD1 LEU A 63 39.685 -24.621 18.966 1.00 16.99 C ANISOU 508 CD1 LEU A 63 2178 2134 2142 -32 -1 49 C ATOM 509 CD2 LEU A 63 38.306 -22.713 18.120 1.00 16.21 C ANISOU 509 CD2 LEU A 63 2062 2044 2052 -19 38 59 C ATOM 0 H LEU A 63 35.598 -25.338 19.677 1.00 11.33 H new ATOM 0 HA LEU A 63 35.836 -23.828 17.457 1.00 11.95 H new ATOM 0 HB2 LEU A 63 37.528 -25.937 18.289 1.00 13.12 H new ATOM 0 HB3 LEU A 63 37.788 -25.062 17.025 1.00 13.12 H new ATOM 0 HG LEU A 63 37.864 -24.008 19.638 1.00 13.72 H new ATOM 0 HD11 LEU A 63 40.196 -23.993 19.500 1.00 16.99 H new ATOM 0 HD12 LEU A 63 39.644 -25.475 19.424 1.00 16.99 H new ATOM 0 HD13 LEU A 63 40.114 -24.737 18.104 1.00 16.99 H new ATOM 0 HD21 LEU A 63 38.845 -22.114 18.660 1.00 16.21 H new ATOM 0 HD22 LEU A 63 38.690 -22.780 17.232 1.00 16.21 H new ATOM 0 HD23 LEU A 63 37.403 -22.365 18.056 1.00 16.21 H new ATOM 510 N ILE A 64 34.948 -25.414 15.776 1.00 11.30 N ANISOU 510 N ILE A 64 1412 1460 1423 -44 9 115 N ATOM 511 CA AILE A 64 34.400 -26.365 14.819 0.50 11.15 C ANISOU 511 CA AILE A 64 1387 1448 1401 -56 -5 124 C ATOM 512 CA BILE A 64 34.374 -26.324 14.789 0.50 11.09 C ANISOU 512 CA BILE A 64 1379 1441 1393 -56 -5 124 C ATOM 513 C ILE A 64 35.463 -26.627 13.768 1.00 10.40 C ANISOU 513 C ILE A 64 1298 1344 1311 -55 -15 108 C ATOM 514 O ILE A 64 35.975 -25.705 13.136 1.00 11.34 O ANISOU 514 O ILE A 64 1413 1462 1434 -45 -6 103 O ATOM 515 CB AILE A 64 33.064 -25.900 14.224 0.50 12.21 C ANISOU 515 CB AILE A 64 1502 1604 1536 -56 3 144 C ATOM 516 CB BILE A 64 33.148 -25.710 14.085 0.50 12.23 C ANISOU 516 CB BILE A 64 1504 1606 1539 -53 5 144 C ATOM 517 CG1AILE A 64 31.996 -25.886 15.319 0.50 13.00 C ANISOU 517 CG1AILE A 64 1595 1714 1631 -59 13 157 C ATOM 518 CG1BILE A 64 32.213 -25.014 15.088 0.50 11.80 C ANISOU 518 CG1BILE A 64 1438 1559 1485 -46 23 155 C ATOM 519 CG2AILE A 64 32.629 -26.825 13.100 0.50 12.31 C ANISOU 519 CG2AILE A 64 1509 1627 1543 -71 -13 150 C ATOM 520 CG2BILE A 64 32.402 -26.787 13.319 0.50 12.68 C ANISOU 520 CG2BILE A 64 1554 1676 1590 -71 -11 153 C ATOM 521 CD1AILE A 64 30.667 -25.329 14.882 0.50 14.38 C ANISOU 521 CD1AILE A 64 1745 1910 1808 -55 24 178 C ATOM 522 CD1BILE A 64 31.687 -25.936 16.168 0.50 12.75 C ANISOU 522 CD1BILE A 64 1565 1685 1597 -61 19 159 C ATOM 0 H AILE A 64 35.056 -24.619 15.467 0.50 11.30 H new ATOM 0 H BILE A 64 35.075 -24.618 15.476 0.50 11.30 H new ATOM 0 HA AILE A 64 34.181 -27.197 15.268 0.50 11.09 H new ATOM 0 HA BILE A 64 34.067 -27.131 15.231 0.50 11.09 H new ATOM 0 HB AILE A 64 33.177 -25.006 13.864 0.50 12.23 H new ATOM 0 HB BILE A 64 33.461 -25.035 13.463 0.50 12.23 H new ATOM 0 HG12AILE A 64 31.865 -26.792 15.640 0.50 11.80 H new ATOM 0 HG12BILE A 64 32.688 -24.278 15.505 0.50 11.80 H new ATOM 0 HG13AILE A 64 32.323 -25.364 16.068 0.50 11.80 H new ATOM 0 HG13BILE A 64 31.463 -24.631 14.607 0.50 11.80 H new ATOM 0 HG21AILE A 64 31.784 -26.517 12.736 0.50 12.68 H new ATOM 0 HG21BILE A 64 31.632 -26.396 12.878 0.50 12.68 H new ATOM 0 HG22AILE A 64 33.302 -26.824 12.401 0.50 12.68 H new ATOM 0 HG22BILE A 64 32.990 -27.178 12.655 0.50 12.68 H new ATOM 0 HG23AILE A 64 32.523 -27.726 13.444 0.50 12.68 H new ATOM 0 HG23BILE A 64 32.106 -27.476 13.934 0.50 12.68 H new ATOM 0 HD11AILE A 64 30.045 -25.353 15.626 0.50 12.75 H new ATOM 0 HD11BILE A 64 31.107 -25.438 16.765 0.50 12.75 H new ATOM 0 HD12AILE A 64 30.782 -24.412 14.586 0.50 12.75 H new ATOM 0 HD12BILE A 64 31.186 -26.660 15.760 0.50 12.75 H new ATOM 0 HD13AILE A 64 30.317 -25.862 14.152 0.50 12.75 H new ATOM 0 HD13BILE A 64 32.431 -26.302 16.672 0.50 12.75 H new ATOM 523 N LEU A 65 35.814 -27.907 13.631 1.00 11.14 N ANISOU 523 N LEU A 65 1401 1429 1403 -67 -33 101 N ATOM 524 CA LEU A 65 36.926 -28.360 12.798 1.00 10.93 C ANISOU 524 CA LEU A 65 1381 1391 1382 -66 -42 81 C ATOM 525 C LEU A 65 36.414 -29.321 11.725 1.00 10.73 C ANISOU 525 C LEU A 65 1353 1371 1352 -82 -54 81 C ATOM 526 O LEU A 65 35.426 -30.020 11.944 1.00 11.92 O ANISOU 526 O LEU A 65 1503 1529 1499 -95 -60 94 O ATOM 527 CB LEU A 65 37.950 -29.130 13.647 1.00 12.03 C ANISOU 527 CB LEU A 65 1534 1508 1527 -65 -55 68 C ATOM 528 CG LEU A 65 38.464 -28.423 14.890 1.00 13.21 C ANISOU 528 CG LEU A 65 1689 1654 1678 -55 -48 66 C ATOM 529 CD1 LEU A 65 39.378 -29.361 15.656 1.00 14.31 C ANISOU 529 CD1 LEU A 65 1840 1775 1822 -55 -65 58 C ATOM 530 CD2 LEU A 65 39.147 -27.100 14.561 1.00 14.08 C ANISOU 530 CD2 LEU A 65 1793 1765 1791 -42 -33 56 C ATOM 0 H LEU A 65 35.402 -28.549 14.029 1.00 11.14 H new ATOM 0 HA LEU A 65 37.336 -27.578 12.397 1.00 10.93 H new ATOM 0 HB2 LEU A 65 37.549 -29.970 13.919 1.00 12.03 H new ATOM 0 HB3 LEU A 65 38.710 -29.347 13.084 1.00 12.03 H new ATOM 0 HG LEU A 65 37.707 -28.194 15.452 1.00 13.21 H new ATOM 0 HD11 LEU A 65 39.709 -28.914 16.451 1.00 14.31 H new ATOM 0 HD12 LEU A 65 38.884 -30.155 15.914 1.00 14.31 H new ATOM 0 HD13 LEU A 65 40.126 -29.615 15.093 1.00 14.31 H new ATOM 0 HD21 LEU A 65 39.459 -26.684 15.380 1.00 14.08 H new ATOM 0 HD22 LEU A 65 39.902 -27.263 13.974 1.00 14.08 H new ATOM 0 HD23 LEU A 65 38.516 -26.511 14.120 1.00 14.08 H new ATOM 531 N PRO A 66 37.123 -29.423 10.597 1.00 10.42 N ANISOU 531 N PRO A 66 1313 1331 1314 -82 -55 65 N ATOM 532 CA PRO A 66 36.832 -30.502 9.665 1.00 10.69 C ANISOU 532 CA PRO A 66 1350 1368 1345 -99 -67 58 C ATOM 533 C PRO A 66 37.047 -31.865 10.299 1.00 11.29 C ANISOU 533 C PRO A 66 1439 1422 1430 -107 -81 50 C ATOM 534 O PRO A 66 37.774 -32.001 11.282 1.00 12.28 O ANISOU 534 O PRO A 66 1573 1529 1564 -96 -85 45 O ATOM 535 CB PRO A 66 37.847 -30.293 8.548 1.00 11.37 C ANISOU 535 CB PRO A 66 1434 1454 1430 -96 -63 36 C ATOM 536 CG PRO A 66 38.270 -28.862 8.677 1.00 11.45 C ANISOU 536 CG PRO A 66 1439 1470 1442 -80 -48 42 C ATOM 537 CD PRO A 66 38.288 -28.641 10.157 1.00 10.87 C ANISOU 537 CD PRO A 66 1370 1384 1375 -70 -47 49 C ATOM 0 HA PRO A 66 35.909 -30.485 9.367 1.00 10.69 H new ATOM 0 HB2 PRO A 66 38.603 -30.893 8.643 1.00 11.37 H new ATOM 0 HB3 PRO A 66 37.454 -30.467 7.678 1.00 11.37 H new ATOM 0 HG2 PRO A 66 39.143 -28.710 8.282 1.00 11.45 H new ATOM 0 HG3 PRO A 66 37.649 -28.264 8.233 1.00 11.45 H new ATOM 0 HD2 PRO A 66 39.111 -28.957 10.561 1.00 10.87 H new ATOM 0 HD3 PRO A 66 38.202 -27.702 10.385 1.00 10.87 H new ATOM 538 N ARG A 67 36.409 -32.866 9.718 1.00 12.98 N ANISOU 538 N ARG A 67 1654 1637 1639 -125 -91 48 N ATOM 539 CA ARG A 67 36.704 -34.251 10.080 1.00 13.79 C ANISOU 539 CA ARG A 67 1772 1713 1754 -133 -105 38 C ATOM 540 C ARG A 67 37.960 -34.709 9.344 1.00 13.27 C ANISOU 540 C ARG A 67 1713 1631 1700 -127 -107 7 C ATOM 541 O ARG A 67 38.209 -34.306 8.201 1.00 14.40 O ANISOU 541 O ARG A 67 1849 1788 1836 -128 -99 -7 O ATOM 542 CB ARG A 67 35.518 -35.147 9.750 1.00 15.97 C ANISOU 542 CB ARG A 67 2049 1996 2023 -159 -113 46 C ATOM 543 CG ARG A 67 34.299 -34.821 10.583 1.00 17.87 C ANISOU 543 CG ARG A 67 2281 2253 2254 -166 -111 76 C ATOM 544 CD ARG A 67 33.134 -35.763 10.362 1.00 22.38 C ANISOU 544 CD ARG A 67 2853 2832 2820 -193 -120 85 C ATOM 545 NE ARG A 67 33.451 -37.142 10.746 1.00 26.17 N ANISOU 545 NE ARG A 67 3351 3279 3313 -205 -134 76 N ATOM 546 CZ ARG A 67 33.228 -38.241 10.006 1.00 33.74 C ANISOU 546 CZ ARG A 67 4318 4227 4275 -226 -143 63 C ATOM 547 NH1 ARG A 67 32.642 -38.185 8.806 1.00 34.29 N ANISOU 547 NH1 ARG A 67 4377 4321 4331 -243 -142 56 N ATOM 548 NH2 ARG A 67 33.585 -39.433 10.491 1.00 32.99 N ANISOU 548 NH2 ARG A 67 4241 4097 4196 -233 -155 57 N ATOM 0 H ARG A 67 35.804 -32.772 9.114 1.00 12.98 H new ATOM 0 HA ARG A 67 36.863 -34.311 11.035 1.00 13.79 H new ATOM 0 HB2 ARG A 67 35.298 -35.055 8.810 1.00 15.97 H new ATOM 0 HB3 ARG A 67 35.766 -36.074 9.894 1.00 15.97 H new ATOM 0 HG2 ARG A 67 34.545 -34.840 11.521 1.00 17.87 H new ATOM 0 HG3 ARG A 67 34.014 -33.916 10.382 1.00 17.87 H new ATOM 0 HD2 ARG A 67 32.370 -35.455 10.874 1.00 22.38 H new ATOM 0 HD3 ARG A 67 32.876 -35.741 9.427 1.00 22.38 H new ATOM 0 HE ARG A 67 33.814 -37.258 11.517 1.00 26.17 H new ATOM 0 HH11 ARG A 67 32.394 -37.427 8.484 1.00 34.29 H new ATOM 0 HH12 ARG A 67 32.513 -38.907 8.356 1.00 34.29 H new ATOM 0 HH21 ARG A 67 33.952 -39.489 11.267 1.00 32.99 H new ATOM 0 HH22 ARG A 67 33.448 -40.144 10.028 1.00 32.99 H new ATOM 549 N SER A 68 38.754 -35.560 9.985 1.00 13.72 N ANISOU 549 N SER A 68 1781 1656 1774 -119 -117 -4 N ATOM 550 CA ASER A 68 40.026 -35.955 9.394 0.50 15.06 C ANISOU 550 CA ASER A 68 1954 1809 1960 -109 -117 -34 C ATOM 551 CA BSER A 68 40.025 -36.018 9.416 0.50 15.05 C ANISOU 551 CA BSER A 68 1953 1806 1959 -109 -118 -34 C ATOM 552 C SER A 68 39.847 -36.779 8.123 1.00 16.12 C ANISOU 552 C SER A 68 2090 1942 2092 -126 -117 -56 C ATOM 553 O SER A 68 40.526 -36.525 7.140 1.00 16.50 O ANISOU 553 O SER A 68 2133 1997 2138 -122 -108 -80 O ATOM 554 CB ASER A 68 40.927 -36.664 10.416 0.50 17.61 C ANISOU 554 CB ASER A 68 2287 2100 2306 -94 -130 -37 C ATOM 555 CB BSER A 68 40.762 -36.930 10.398 0.50 17.58 C ANISOU 555 CB BSER A 68 2285 2091 2302 -98 -132 -36 C ATOM 556 OG ASER A 68 40.301 -37.815 10.958 0.50 23.91 O ANISOU 556 OG ASER A 68 3098 2877 3111 -107 -144 -25 O ATOM 557 OG BSER A 68 41.264 -36.222 11.504 0.50 21.11 O ANISOU 557 OG BSER A 68 2731 2540 2752 -82 -133 -23 O ATOM 0 H ASER A 68 38.579 -35.914 10.749 0.50 13.72 H new ATOM 0 H BSER A 68 38.575 -35.889 10.759 0.50 13.72 H new ATOM 0 HA ASER A 68 40.477 -35.138 9.128 0.50 15.05 H new ATOM 0 HA BSER A 68 40.538 -35.214 9.238 0.50 15.05 H new ATOM 0 HB2ASER A 68 41.761 -36.919 9.991 0.50 17.58 H new ATOM 0 HB2BSER A 68 40.159 -37.625 10.707 0.50 17.58 H new ATOM 0 HB3ASER A 68 41.150 -36.049 11.132 0.50 17.58 H new ATOM 0 HB3BSER A 68 41.494 -37.372 9.940 0.50 17.58 H new ATOM 0 HG ASER A 68 39.657 -37.581 11.444 0.50 21.11 H new ATOM 0 HG BSER A 68 40.924 -35.454 11.523 0.50 21.11 H new ATOM 558 N GLY A 69 38.943 -37.744 8.137 1.00 17.13 N ANISOU 558 N GLY A 69 2226 2062 2220 -146 -127 -50 N ATOM 559 CA GLY A 69 38.718 -38.559 6.948 1.00 17.50 C ANISOU 559 CA GLY A 69 2277 2108 2264 -165 -127 -74 C ATOM 560 C GLY A 69 38.114 -37.795 5.791 1.00 17.17 C ANISOU 560 C GLY A 69 2222 2106 2195 -180 -117 -74 C ATOM 561 O GLY A 69 38.642 -37.821 4.675 1.00 18.41 O ANISOU 561 O GLY A 69 2378 2271 2347 -184 -109 -101 O ATOM 0 H GLY A 69 38.453 -37.945 8.814 1.00 17.13 H new ATOM 0 HA2 GLY A 69 39.562 -38.944 6.665 1.00 17.50 H new ATOM 0 HA3 GLY A 69 38.133 -39.297 7.178 1.00 17.50 H new ATOM 562 N LEU A 70 37.014 -37.089 6.045 1.00 16.67 N ANISOU 562 N LEU A 70 2150 2070 2115 -187 -117 -43 N ATOM 563 CA LEU A 70 36.407 -36.289 4.990 1.00 17.24 C ANISOU 563 CA LEU A 70 2207 2180 2161 -199 -110 -37 C ATOM 564 C LEU A 70 37.402 -35.319 4.420 1.00 16.04 C ANISOU 564 C LEU A 70 2050 2039 2006 -182 -97 -49 C ATOM 565 O LEU A 70 37.460 -35.119 3.214 1.00 16.51 O ANISOU 565 O LEU A 70 2104 2120 2048 -194 -92 -62 O ATOM 566 CB LEU A 70 35.203 -35.489 5.465 1.00 21.02 C ANISOU 566 CB LEU A 70 2674 2686 2628 -201 -110 0 C ATOM 567 CG LEU A 70 33.847 -36.115 5.519 1.00 24.05 C ANISOU 567 CG LEU A 70 3053 3080 3002 -227 -120 17 C ATOM 568 CD1 LEU A 70 32.860 -35.032 5.900 1.00 22.34 C ANISOU 568 CD1 LEU A 70 2818 2893 2775 -222 -115 51 C ATOM 569 CD2 LEU A 70 33.536 -36.742 4.168 1.00 24.06 C ANISOU 569 CD2 LEU A 70 3055 3097 2989 -254 -124 -2 C ATOM 0 H LEU A 70 36.612 -37.060 6.805 1.00 16.67 H new ATOM 0 HA LEU A 70 36.113 -36.925 4.319 1.00 17.24 H new ATOM 0 HB2 LEU A 70 35.406 -35.170 6.358 1.00 21.02 H new ATOM 0 HB3 LEU A 70 35.135 -34.708 4.893 1.00 21.02 H new ATOM 0 HG LEU A 70 33.797 -36.824 6.179 1.00 24.05 H new ATOM 0 HD11 LEU A 70 31.967 -35.408 5.943 1.00 22.34 H new ATOM 0 HD12 LEU A 70 33.099 -34.666 6.766 1.00 22.34 H new ATOM 0 HD13 LEU A 70 32.881 -34.326 5.235 1.00 22.34 H new ATOM 0 HD21 LEU A 70 32.657 -37.151 4.195 1.00 24.06 H new ATOM 0 HD22 LEU A 70 33.552 -36.057 3.482 1.00 24.06 H new ATOM 0 HD23 LEU A 70 34.200 -37.419 3.965 1.00 24.06 H new ATOM 570 N GLY A 71 38.170 -34.672 5.291 1.00 14.54 N ANISOU 570 N GLY A 71 1859 1836 1829 -158 -92 -44 N ATOM 571 CA GLY A 71 39.087 -33.661 4.817 1.00 14.44 C ANISOU 571 CA GLY A 71 1840 1834 1814 -143 -79 -53 C ATOM 572 C GLY A 71 40.223 -34.240 4.012 1.00 14.31 C ANISOU 572 C GLY A 71 1828 1807 1804 -143 -74 -90 C ATOM 573 O GLY A 71 40.500 -33.800 2.905 1.00 14.29 O ANISOU 573 O GLY A 71 1819 1826 1786 -150 -65 -102 O ATOM 0 H GLY A 71 38.172 -34.804 6.141 1.00 14.54 H new ATOM 0 HA2 GLY A 71 38.603 -33.020 4.273 1.00 14.44 H new ATOM 0 HA3 GLY A 71 39.447 -33.175 5.575 1.00 14.44 H new ATOM 574 N HIS A 72 40.899 -35.229 4.583 1.00 15.47 N ANISOU 574 N HIS A 72 1984 1920 1974 -135 -81 -108 N ATOM 575 CA HIS A 72 42.038 -35.838 3.929 1.00 15.29 C ANISOU 575 CA HIS A 72 1963 1882 1963 -130 -76 -146 C ATOM 576 C HIS A 72 41.661 -36.611 2.666 1.00 16.83 C ANISOU 576 C HIS A 72 2162 2087 2145 -155 -73 -170 C ATOM 577 O HIS A 72 42.273 -36.437 1.610 1.00 17.27 O ANISOU 577 O HIS A 72 2213 2158 2192 -159 -61 -196 O ATOM 578 CB HIS A 72 42.761 -36.775 4.890 1.00 15.63 C ANISOU 578 CB HIS A 72 2014 1885 2038 -114 -86 -157 C ATOM 579 CG HIS A 72 43.848 -37.534 4.228 1.00 17.14 C ANISOU 579 CG HIS A 72 2206 2058 2247 -108 -80 -197 C ATOM 580 ND1 HIS A 72 45.011 -36.935 3.810 1.00 17.15 N ANISOU 580 ND1 HIS A 72 2196 2067 2252 -94 -66 -217 N ATOM 581 CD2 HIS A 72 43.934 -38.835 3.855 1.00 18.67 C ANISOU 581 CD2 HIS A 72 2410 2227 2457 -114 -84 -223 C ATOM 582 CE1 HIS A 72 45.778 -37.834 3.226 1.00 18.70 C ANISOU 582 CE1 HIS A 72 2394 2246 2466 -91 -61 -254 C ATOM 583 NE2 HIS A 72 45.148 -38.993 3.243 1.00 19.29 N ANISOU 583 NE2 HIS A 72 2482 2298 2549 -102 -72 -259 N ATOM 0 H HIS A 72 40.710 -35.561 5.354 1.00 15.47 H new ATOM 0 HA HIS A 72 42.620 -35.109 3.663 1.00 15.29 H new ATOM 0 HB2 HIS A 72 43.130 -36.259 5.624 1.00 15.63 H new ATOM 0 HB3 HIS A 72 42.123 -37.397 5.273 1.00 15.63 H new ATOM 0 HD1 HIS A 72 45.208 -36.104 3.913 1.00 17.15 H new ATOM 0 HD2 HIS A 72 43.291 -39.494 3.989 1.00 18.67 H new ATOM 0 HE1 HIS A 72 46.620 -37.678 2.864 1.00 18.70 H new ATOM 584 N LYS A 73 40.661 -37.472 2.787 1.00 16.84 N ANISOU 584 N LYS A 73 2172 2081 2145 -173 -85 -163 N ATOM 585 CA ALYS A 73 40.308 -38.395 1.693 0.70 17.92 C ANISOU 585 CA ALYS A 73 2316 2222 2273 -199 -85 -190 C ATOM 586 CA BLYS A 73 40.323 -38.382 1.687 0.30 18.06 C ANISOU 586 CA BLYS A 73 2333 2240 2290 -199 -84 -190 C ATOM 587 C LYS A 73 39.438 -37.763 0.593 1.00 17.80 C ANISOU 587 C LYS A 73 2291 2253 2220 -224 -81 -181 C ATOM 588 O LYS A 73 39.533 -38.138 -0.588 1.00 21.71 O ANISOU 588 O LYS A 73 2788 2763 2699 -244 -74 -210 O ATOM 589 CB ALYS A 73 39.585 -39.623 2.259 0.70 20.30 C ANISOU 589 CB ALYS A 73 2630 2495 2588 -212 -99 -187 C ATOM 590 CB BLYS A 73 39.649 -39.644 2.224 0.30 21.45 C ANISOU 590 CB BLYS A 73 2776 2639 2734 -212 -99 -189 C ATOM 591 CG ALYS A 73 40.457 -40.521 3.132 0.70 25.32 C ANISOU 591 CG ALYS A 73 3277 3081 3262 -191 -105 -200 C ATOM 592 CG BLYS A 73 39.365 -40.676 1.143 0.30 24.00 C ANISOU 592 CG BLYS A 73 3107 2960 3050 -240 -98 -222 C ATOM 593 CD ALYS A 73 39.667 -41.707 3.687 0.70 31.68 C ANISOU 593 CD ALYS A 73 4098 3858 4081 -207 -120 -192 C ATOM 594 CD BLYS A 73 38.887 -41.988 1.724 0.30 30.39 C ANISOU 594 CD BLYS A 73 3934 3733 3882 -251 -111 -224 C ATOM 595 CE ALYS A 73 39.401 -41.586 5.182 0.70 36.82 C ANISOU 595 CE ALYS A 73 4752 4494 4745 -194 -133 -154 C ATOM 596 CE BLYS A 73 38.525 -42.946 0.600 0.30 35.39 C ANISOU 596 CE BLYS A 73 4575 4365 4505 -283 -109 -259 C ATOM 597 NZ ALYS A 73 37.961 -41.734 5.530 0.70 39.02 N ANISOU 597 NZ ALYS A 73 5032 4786 5007 -219 -142 -124 N ATOM 598 NZ BLYS A 73 37.722 -44.091 1.101 0.30 38.19 N ANISOU 598 NZ BLYS A 73 4945 4690 4875 -302 -123 -253 N ATOM 0 H ALYS A 73 40.170 -37.545 3.489 0.70 16.84 H new ATOM 0 H BLYS A 73 40.167 -37.550 3.487 0.30 16.84 H new ATOM 0 HA ALYS A 73 41.148 -38.644 1.276 0.70 18.06 H new ATOM 0 HA BLYS A 73 41.171 -38.595 1.267 0.30 18.06 H new ATOM 0 HB2ALYS A 73 38.823 -39.325 2.780 0.70 21.45 H new ATOM 0 HB2BLYS A 73 40.216 -40.043 2.903 0.30 21.45 H new ATOM 0 HB3ALYS A 73 39.236 -40.148 1.522 0.70 21.45 H new ATOM 0 HB3BLYS A 73 38.816 -39.400 2.657 0.30 21.45 H new ATOM 0 HG2ALYS A 73 41.209 -40.847 2.613 0.70 24.00 H new ATOM 0 HG2BLYS A 73 38.694 -40.329 0.534 0.30 24.00 H new ATOM 0 HG3ALYS A 73 40.823 -40.003 3.866 0.70 24.00 H new ATOM 0 HG3BLYS A 73 40.169 -40.828 0.622 0.30 24.00 H new ATOM 0 HD2ALYS A 73 38.822 -41.777 3.216 0.70 30.39 H new ATOM 0 HD2BLYS A 73 39.580 -42.376 2.281 0.30 30.39 H new ATOM 0 HD3ALYS A 73 40.156 -42.526 3.514 0.70 30.39 H new ATOM 0 HD3BLYS A 73 38.116 -41.838 2.293 0.30 30.39 H new ATOM 0 HE2ALYS A 73 39.913 -42.262 5.652 0.70 35.39 H new ATOM 0 HE2BLYS A 73 38.025 -42.472 -0.083 0.30 35.39 H new ATOM 0 HE3ALYS A 73 39.717 -40.723 5.493 0.70 35.39 H new ATOM 0 HE3BLYS A 73 39.335 -43.276 0.180 0.30 35.39 H new ATOM 0 HZ1ALYS A 73 37.860 -41.670 6.412 0.70 38.19 H new ATOM 0 HZ1BLYS A 73 37.525 -44.634 0.424 0.30 38.19 H new ATOM 0 HZ2ALYS A 73 37.491 -41.092 5.131 0.70 38.19 H new ATOM 0 HZ2BLYS A 73 38.190 -44.537 1.712 0.30 38.19 H new ATOM 0 HZ3ALYS A 73 37.669 -42.529 5.255 0.70 38.19 H new ATOM 0 HZ3BLYS A 73 36.969 -43.788 1.467 0.30 38.19 H new ATOM 599 N HIS A 74 38.573 -36.828 0.988 1.00 16.06 N ANISOU 599 N HIS A 74 2061 2056 1985 -224 -85 -141 N ATOM 600 CA HIS A 74 37.570 -36.281 0.068 1.00 15.72 C ANISOU 600 CA HIS A 74 2008 2057 1909 -247 -86 -124 C ATOM 601 C HIS A 74 37.655 -34.782 -0.143 1.00 14.59 C ANISOU 601 C HIS A 74 1850 1942 1750 -234 -78 -99 C ATOM 602 O HIS A 74 36.924 -34.232 -0.953 1.00 16.25 O ANISOU 602 O HIS A 74 2051 2189 1934 -251 -79 -82 O ATOM 603 CB HIS A 74 36.162 -36.678 0.512 1.00 16.44 C ANISOU 603 CB HIS A 74 2097 2154 1995 -264 -101 -98 C ATOM 604 CG HIS A 74 35.972 -38.154 0.589 1.00 19.76 C ANISOU 604 CG HIS A 74 2533 2548 2429 -282 -109 -121 C ATOM 605 ND1 HIS A 74 35.825 -38.941 -0.531 1.00 23.89 N ANISOU 605 ND1 HIS A 74 3062 3080 2937 -311 -110 -150 N ATOM 606 CD2 HIS A 74 35.929 -38.992 1.649 1.00 22.36 C ANISOU 606 CD2 HIS A 74 2874 2840 2784 -276 -117 -118 C ATOM 607 CE1 HIS A 74 35.679 -40.200 -0.160 1.00 26.03 C ANISOU 607 CE1 HIS A 74 3347 3316 3227 -322 -117 -166 C ATOM 608 NE2 HIS A 74 35.758 -40.260 1.156 1.00 24.20 N ANISOU 608 NE2 HIS A 74 3120 3056 3020 -301 -122 -146 N ATOM 0 H HIS A 74 38.549 -36.497 1.781 1.00 16.06 H new ATOM 0 HA HIS A 74 37.771 -36.676 -0.795 1.00 15.72 H new ATOM 0 HB2 HIS A 74 35.980 -36.287 1.381 1.00 16.44 H new ATOM 0 HB3 HIS A 74 35.515 -36.305 -0.108 1.00 16.44 H new ATOM 0 HD1 HIS A 74 35.828 -38.658 -1.343 1.00 23.89 H new ATOM 0 HD2 HIS A 74 36.002 -38.753 2.545 1.00 22.36 H new ATOM 0 HE1 HIS A 74 35.543 -40.922 -0.730 1.00 26.03 H new ATOM 609 N GLY A 75 38.542 -34.109 0.585 1.00 14.29 N ANISOU 609 N GLY A 75 1812 1888 1731 -207 -70 -96 N ATOM 610 CA GLY A 75 38.656 -32.669 0.458 1.00 14.37 C ANISOU 610 CA GLY A 75 1810 1919 1730 -195 -61 -73 C ATOM 611 C GLY A 75 37.415 -31.900 0.895 1.00 12.73 C ANISOU 611 C GLY A 75 1592 1729 1515 -194 -67 -30 C ATOM 612 O GLY A 75 37.176 -30.783 0.440 1.00 14.32 O ANISOU 612 O GLY A 75 1783 1955 1704 -192 -61 -8 O ATOM 0 H GLY A 75 39.080 -34.467 1.152 1.00 14.29 H new ATOM 0 HA2 GLY A 75 39.413 -32.367 0.985 1.00 14.37 H new ATOM 0 HA3 GLY A 75 38.850 -32.451 -0.467 1.00 14.37 H new ATOM 613 N ILE A 76 36.645 -32.462 1.814 1.00 12.90 N ANISOU 613 N ILE A 76 1617 1738 1548 -195 -77 -17 N ATOM 614 CA ILE A 76 35.438 -31.796 2.291 1.00 13.60 C ANISOU 614 CA ILE A 76 1692 1843 1632 -193 -80 21 C ATOM 615 C ILE A 76 35.751 -31.220 3.657 1.00 12.45 C ANISOU 615 C ILE A 76 1548 1676 1506 -167 -75 33 C ATOM 616 O ILE A 76 35.915 -31.940 4.630 1.00 13.15 O ANISOU 616 O ILE A 76 1647 1739 1611 -163 -79 26 O ATOM 617 CB ILE A 76 34.235 -32.743 2.340 1.00 14.12 C ANISOU 617 CB ILE A 76 1756 1916 1691 -216 -94 29 C ATOM 618 CG1 ILE A 76 33.992 -33.375 0.958 1.00 15.38 C ANISOU 618 CG1 ILE A 76 1916 2099 1829 -245 -100 12 C ATOM 619 CG2 ILE A 76 32.978 -32.012 2.852 1.00 15.33 C ANISOU 619 CG2 ILE A 76 1892 2090 1841 -212 -96 69 C ATOM 620 CD1 ILE A 76 33.762 -32.386 -0.156 1.00 16.83 C ANISOU 620 CD1 ILE A 76 2086 2322 1988 -251 -97 27 C ATOM 0 H ILE A 76 36.801 -33.227 2.175 1.00 12.90 H new ATOM 0 HA ILE A 76 35.185 -31.091 1.675 1.00 13.60 H new ATOM 0 HB ILE A 76 34.432 -33.457 2.966 1.00 14.12 H new ATOM 0 HG12 ILE A 76 34.756 -33.928 0.730 1.00 15.38 H new ATOM 0 HG13 ILE A 76 33.223 -33.963 1.016 1.00 15.38 H new ATOM 0 HG21 ILE A 76 32.231 -32.630 2.874 1.00 15.33 H new ATOM 0 HG22 ILE A 76 33.143 -31.672 3.745 1.00 15.33 H new ATOM 0 HG23 ILE A 76 32.769 -31.274 2.259 1.00 15.33 H new ATOM 0 HD11 ILE A 76 33.618 -32.863 -0.988 1.00 16.83 H new ATOM 0 HD12 ILE A 76 32.982 -31.846 0.046 1.00 16.83 H new ATOM 0 HD13 ILE A 76 34.538 -31.811 -0.244 1.00 16.83 H new ATOM 621 N VAL A 77 35.918 -29.911 3.669 1.00 11.76 N ANISOU 621 N VAL A 77 1453 1598 1419 -151 -64 49 N ATOM 622 CA VAL A 77 36.376 -29.175 4.830 1.00 11.46 C ANISOU 622 CA VAL A 77 1416 1541 1397 -128 -55 56 C ATOM 623 C VAL A 77 35.467 -27.976 5.062 1.00 11.39 C ANISOU 623 C VAL A 77 1393 1548 1386 -118 -48 89 C ATOM 624 O VAL A 77 34.327 -27.955 4.606 1.00 13.43 O ANISOU 624 O VAL A 77 1640 1830 1634 -129 -54 110 O ATOM 625 CB VAL A 77 37.869 -28.787 4.678 1.00 11.91 C ANISOU 625 CB VAL A 77 1480 1583 1461 -116 -46 33 C ATOM 626 CG1 VAL A 77 38.736 -30.032 4.567 1.00 12.52 C ANISOU 626 CG1 VAL A 77 1569 1643 1546 -121 -52 0 C ATOM 627 CG2 VAL A 77 38.087 -27.856 3.491 1.00 12.19 C ANISOU 627 CG2 VAL A 77 1508 1641 1482 -119 -37 38 C ATOM 0 H VAL A 77 35.764 -29.413 2.985 1.00 11.76 H new ATOM 0 HA VAL A 77 36.323 -29.735 5.620 1.00 11.46 H new ATOM 0 HB VAL A 77 38.134 -28.302 5.475 1.00 11.91 H new ATOM 0 HG11 VAL A 77 39.666 -29.772 4.473 1.00 12.52 H new ATOM 0 HG12 VAL A 77 38.631 -30.572 5.366 1.00 12.52 H new ATOM 0 HG13 VAL A 77 38.465 -30.547 3.791 1.00 12.52 H new ATOM 0 HG21 VAL A 77 39.028 -27.633 3.423 1.00 12.19 H new ATOM 0 HG22 VAL A 77 37.801 -28.298 2.676 1.00 12.19 H new ATOM 0 HG23 VAL A 77 37.571 -27.044 3.617 1.00 12.19 H new ATOM 628 N LEU A 78 35.948 -26.995 5.826 1.00 11.33 N ANISOU 628 N LEU A 78 1386 1527 1390 -98 -36 94 N ATOM 629 CA LEU A 78 35.144 -25.839 6.188 1.00 11.36 C ANISOU 629 CA LEU A 78 1378 1540 1398 -85 -27 122 C ATOM 630 C LEU A 78 35.581 -24.625 5.377 1.00 10.78 C ANISOU 630 C LEU A 78 1300 1474 1323 -78 -17 130 C ATOM 631 O LEU A 78 36.774 -24.366 5.251 1.00 11.60 O ANISOU 631 O LEU A 78 1413 1565 1430 -74 -10 111 O ATOM 632 CB LEU A 78 35.285 -25.550 7.672 1.00 11.91 C ANISOU 632 CB LEU A 78 1454 1589 1483 -70 -19 121 C ATOM 633 CG LEU A 78 34.886 -26.692 8.622 1.00 15.84 C ANISOU 633 CG LEU A 78 1957 2079 1981 -78 -29 117 C ATOM 634 CD1 LEU A 78 35.171 -26.301 10.066 1.00 15.57 C ANISOU 634 CD1 LEU A 78 1931 2029 1958 -65 -21 115 C ATOM 635 CD2 LEU A 78 33.464 -27.148 8.427 1.00 17.86 C ANISOU 635 CD2 LEU A 78 2201 2356 2230 -92 -36 137 C ATOM 0 H LEU A 78 36.746 -26.985 6.146 1.00 11.33 H new ATOM 0 HA LEU A 78 34.213 -26.030 5.992 1.00 11.36 H new ATOM 0 HB2 LEU A 78 36.208 -25.312 7.851 1.00 11.91 H new ATOM 0 HB3 LEU A 78 34.745 -24.773 7.885 1.00 11.91 H new ATOM 0 HG LEU A 78 35.435 -27.460 8.400 1.00 15.84 H new ATOM 0 HD11 LEU A 78 34.916 -27.028 10.655 1.00 15.57 H new ATOM 0 HD12 LEU A 78 36.118 -26.118 10.171 1.00 15.57 H new ATOM 0 HD13 LEU A 78 34.661 -25.507 10.293 1.00 15.57 H new ATOM 0 HD21 LEU A 78 33.266 -27.866 9.048 1.00 17.86 H new ATOM 0 HD22 LEU A 78 32.861 -26.406 8.589 1.00 17.86 H new ATOM 0 HD23 LEU A 78 33.348 -27.466 7.518 1.00 17.86 H new ATOM 636 N GLY A 79 34.612 -23.855 4.865 1.00 11.71 N ANISOU 636 N GLY A 79 1402 1611 1437 -76 -15 160 N ATOM 637 CA GLY A 79 34.926 -22.680 4.057 1.00 11.41 C ANISOU 637 CA GLY A 79 1360 1579 1397 -69 -6 174 C ATOM 638 C GLY A 79 35.546 -21.553 4.859 1.00 11.31 C ANISOU 638 C GLY A 79 1352 1541 1403 -49 11 173 C ATOM 639 O GLY A 79 36.277 -20.743 4.306 1.00 12.59 O ANISOU 639 O GLY A 79 1518 1700 1567 -46 20 174 O ATOM 0 H GLY A 79 33.771 -23.999 4.976 1.00 11.71 H new ATOM 0 HA2 GLY A 79 35.534 -22.936 3.346 1.00 11.41 H new ATOM 0 HA3 GLY A 79 34.114 -22.359 3.634 1.00 11.41 H new ATOM 640 N ASN A 80 35.254 -21.499 6.154 1.00 11.33 N ANISOU 640 N ASN A 80 1357 1529 1421 -37 17 171 N ATOM 641 CA ASN A 80 35.914 -20.586 7.077 1.00 10.93 C ANISOU 641 CA ASN A 80 1314 1454 1386 -20 33 163 C ATOM 642 C ASN A 80 37.078 -21.238 7.842 1.00 10.36 C ANISOU 642 C ASN A 80 1257 1364 1315 -23 32 130 C ATOM 643 O ASN A 80 37.649 -20.624 8.744 1.00 11.27 O ANISOU 643 O ASN A 80 1379 1460 1442 -13 43 120 O ATOM 644 CB ASN A 80 34.911 -19.918 8.036 1.00 12.25 C ANISOU 644 CB ASN A 80 1472 1616 1567 -5 44 180 C ATOM 645 CG ASN A 80 34.073 -20.901 8.836 1.00 11.95 C ANISOU 645 CG ASN A 80 1430 1585 1525 -10 37 179 C ATOM 646 OD1 ASN A 80 33.864 -22.041 8.444 1.00 13.19 O ANISOU 646 OD1 ASN A 80 1587 1755 1669 -26 21 176 O ATOM 647 ND2 ASN A 80 33.595 -20.454 9.981 1.00 16.30 N ANISOU 647 ND2 ASN A 80 1979 2127 2087 2 49 182 N ATOM 0 H ASN A 80 34.660 -21.998 6.525 1.00 11.33 H new ATOM 0 HA ASN A 80 36.306 -19.889 6.528 1.00 10.93 H new ATOM 0 HB2 ASN A 80 35.397 -19.346 8.651 1.00 12.25 H new ATOM 0 HB3 ASN A 80 34.319 -19.345 7.523 1.00 12.25 H new ATOM 0 HD21 ASN A 80 33.119 -20.969 10.479 1.00 16.30 H new ATOM 0 HD22 ASN A 80 33.759 -19.647 10.230 1.00 16.30 H new ATOM 648 N LEU A 81 37.421 -22.464 7.428 1.00 10.58 N ANISOU 648 N LEU A 81 1289 1397 1332 -37 17 114 N ATOM 649 CA LEU A 81 38.535 -23.281 7.927 1.00 9.79 C ANISOU 649 CA LEU A 81 1202 1283 1236 -40 11 85 C ATOM 650 C LEU A 81 38.314 -23.840 9.328 1.00 10.32 C ANISOU 650 C LEU A 81 1275 1338 1309 -36 7 81 C ATOM 651 O LEU A 81 38.359 -25.056 9.530 1.00 11.39 O ANISOU 651 O LEU A 81 1416 1469 1441 -45 -7 71 O ATOM 652 CB LEU A 81 39.892 -22.577 7.827 1.00 9.95 C ANISOU 652 CB LEU A 81 1227 1290 1262 -35 21 68 C ATOM 653 CG LEU A 81 40.198 -21.875 6.505 1.00 10.76 C ANISOU 653 CG LEU A 81 1325 1405 1358 -40 28 74 C ATOM 654 CD1 LEU A 81 41.637 -21.367 6.518 1.00 11.25 C ANISOU 654 CD1 LEU A 81 1393 1456 1427 -37 38 53 C ATOM 655 CD2 LEU A 81 39.957 -22.736 5.278 1.00 11.14 C ANISOU 655 CD2 LEU A 81 1370 1473 1390 -56 18 72 C ATOM 0 H LEU A 81 36.980 -22.866 6.808 1.00 10.58 H new ATOM 0 HA LEU A 81 38.556 -24.041 7.325 1.00 9.79 H new ATOM 0 HB2 LEU A 81 39.947 -21.921 8.539 1.00 9.95 H new ATOM 0 HB3 LEU A 81 40.588 -23.233 7.991 1.00 9.95 H new ATOM 0 HG LEU A 81 39.575 -21.135 6.435 1.00 10.76 H new ATOM 0 HD11 LEU A 81 41.831 -20.921 5.678 1.00 11.25 H new ATOM 0 HD12 LEU A 81 41.753 -20.741 7.250 1.00 11.25 H new ATOM 0 HD13 LEU A 81 42.243 -22.115 6.634 1.00 11.25 H new ATOM 0 HD21 LEU A 81 40.171 -22.229 4.479 1.00 11.14 H new ATOM 0 HD22 LEU A 81 40.520 -23.525 5.320 1.00 11.14 H new ATOM 0 HD23 LEU A 81 39.026 -23.006 5.250 1.00 11.14 H new ATOM 656 N VAL A 82 38.097 -22.949 10.284 1.00 10.48 N ANISOU 656 N VAL A 82 1296 1351 1337 -25 19 88 N ATOM 657 CA VAL A 82 37.779 -23.289 11.668 1.00 11.23 C ANISOU 657 CA VAL A 82 1396 1439 1434 -23 18 87 C ATOM 658 C VAL A 82 36.716 -22.309 12.120 1.00 11.74 C ANISOU 658 C VAL A 82 1451 1508 1502 -14 34 106 C ATOM 659 O VAL A 82 36.881 -21.112 11.952 1.00 13.54 O ANISOU 659 O VAL A 82 1676 1731 1738 -3 49 109 O ATOM 660 CB VAL A 82 39.009 -23.152 12.587 1.00 13.16 C ANISOU 660 CB VAL A 82 1651 1665 1682 -19 20 66 C ATOM 661 CG1 VAL A 82 38.638 -23.289 14.060 1.00 13.13 C ANISOU 661 CG1 VAL A 82 1654 1659 1677 -18 21 67 C ATOM 662 CG2 VAL A 82 40.069 -24.141 12.177 1.00 15.11 C ANISOU 662 CG2 VAL A 82 1904 1907 1929 -24 4 47 C ATOM 0 H VAL A 82 38.131 -22.101 10.143 1.00 10.48 H new ATOM 0 HA VAL A 82 37.480 -24.210 11.719 1.00 11.23 H new ATOM 0 HB VAL A 82 39.370 -22.258 12.483 1.00 13.16 H new ATOM 0 HG11 VAL A 82 39.435 -23.197 14.605 1.00 13.13 H new ATOM 0 HG12 VAL A 82 38.002 -22.597 14.299 1.00 13.13 H new ATOM 0 HG13 VAL A 82 38.240 -24.160 14.214 1.00 13.13 H new ATOM 0 HG21 VAL A 82 40.840 -24.049 12.759 1.00 15.11 H new ATOM 0 HG22 VAL A 82 39.716 -25.042 12.248 1.00 15.11 H new ATOM 0 HG23 VAL A 82 40.335 -23.969 11.260 1.00 15.11 H new ATOM 663 N GLY A 83 35.633 -22.827 12.698 1.00 11.61 N ANISOU 663 N GLY A 83 1429 1501 1481 -18 31 118 N ATOM 664 CA GLY A 83 34.583 -22.000 13.251 1.00 12.45 C ANISOU 664 CA GLY A 83 1524 1612 1592 -8 48 134 C ATOM 665 C GLY A 83 34.801 -21.776 14.730 1.00 13.40 C ANISOU 665 C GLY A 83 1654 1723 1713 -5 58 122 C ATOM 666 O GLY A 83 35.323 -22.645 15.427 1.00 14.48 O ANISOU 666 O GLY A 83 1804 1855 1843 -14 46 110 O ATOM 0 H GLY A 83 35.493 -23.672 12.777 1.00 11.61 H new ATOM 0 HA2 GLY A 83 34.561 -21.147 12.790 1.00 12.45 H new ATOM 0 HA3 GLY A 83 33.722 -22.423 13.107 1.00 12.45 H new ATOM 667 N LEU A 84 34.432 -20.592 15.186 1.00 12.27 N ANISOU 667 N LEU A 84 1506 1576 1580 9 79 125 N ATOM 668 CA LEU A 84 34.489 -20.227 16.594 1.00 12.59 C ANISOU 668 CA LEU A 84 1555 1610 1619 11 94 112 C ATOM 669 C LEU A 84 33.083 -19.895 17.069 1.00 13.23 C ANISOU 669 C LEU A 84 1620 1703 1703 17 110 127 C ATOM 670 O LEU A 84 32.441 -18.980 16.539 1.00 16.32 O ANISOU 670 O LEU A 84 1997 2095 2109 31 124 140 O ATOM 671 CB LEU A 84 35.396 -19.007 16.786 1.00 14.58 C ANISOU 671 CB LEU A 84 1814 1843 1881 21 109 96 C ATOM 672 CG LEU A 84 35.515 -18.487 18.219 1.00 16.02 C ANISOU 672 CG LEU A 84 2006 2019 2061 21 126 79 C ATOM 673 CD1 LEU A 84 36.210 -19.498 19.092 1.00 16.68 C ANISOU 673 CD1 LEU A 84 2104 2106 2126 6 109 66 C ATOM 674 CD2 LEU A 84 36.276 -17.165 18.191 1.00 18.98 C ANISOU 674 CD2 LEU A 84 2388 2375 2449 30 143 64 C ATOM 0 H LEU A 84 34.135 -19.964 14.678 1.00 12.27 H new ATOM 0 HA LEU A 84 34.849 -20.967 17.107 1.00 12.59 H new ATOM 0 HB2 LEU A 84 36.284 -19.231 16.466 1.00 14.58 H new ATOM 0 HB3 LEU A 84 35.066 -18.288 16.225 1.00 14.58 H new ATOM 0 HG LEU A 84 34.633 -18.342 18.595 1.00 16.02 H new ATOM 0 HD11 LEU A 84 36.277 -19.153 19.996 1.00 16.68 H new ATOM 0 HD12 LEU A 84 35.702 -20.324 19.098 1.00 16.68 H new ATOM 0 HD13 LEU A 84 37.099 -19.669 18.745 1.00 16.68 H new ATOM 0 HD21 LEU A 84 36.360 -16.821 19.094 1.00 18.98 H new ATOM 0 HD22 LEU A 84 37.159 -17.308 17.816 1.00 18.98 H new ATOM 0 HD23 LEU A 84 35.793 -16.525 17.645 1.00 18.98 H new ATOM 675 N ILE A 85 32.600 -20.662 18.039 1.00 12.14 N ANISOU 675 N ILE A 85 1484 1576 1552 6 108 126 N ATOM 676 CA ILE A 85 31.291 -20.437 18.628 1.00 12.61 C ANISOU 676 CA ILE A 85 1528 1650 1612 9 125 137 C ATOM 677 C ILE A 85 31.464 -19.775 19.987 1.00 13.57 C ANISOU 677 C ILE A 85 1659 1765 1730 11 147 118 C ATOM 678 O ILE A 85 32.065 -20.347 20.894 1.00 14.08 O ANISOU 678 O ILE A 85 1741 1830 1778 -3 139 105 O ATOM 679 CB ILE A 85 30.518 -21.753 18.820 1.00 14.72 C ANISOU 679 CB ILE A 85 1791 1937 1865 -10 110 150 C ATOM 680 CG1 ILE A 85 30.482 -22.581 17.539 1.00 16.17 C ANISOU 680 CG1 ILE A 85 1970 2126 2049 -18 86 164 C ATOM 681 CG2 ILE A 85 29.117 -21.464 19.332 1.00 16.15 C ANISOU 681 CG2 ILE A 85 1951 2136 2049 -6 129 162 C ATOM 682 CD1 ILE A 85 29.901 -21.863 16.350 1.00 17.50 C ANISOU 682 CD1 ILE A 85 2118 2301 2232 -4 90 180 C ATOM 0 H ILE A 85 33.026 -21.330 18.374 1.00 12.14 H new ATOM 0 HA ILE A 85 30.786 -19.870 18.024 1.00 12.61 H new ATOM 0 HB ILE A 85 30.986 -22.284 19.483 1.00 14.72 H new ATOM 0 HG12 ILE A 85 31.385 -22.863 17.323 1.00 16.17 H new ATOM 0 HG13 ILE A 85 29.965 -23.386 17.701 1.00 16.17 H new ATOM 0 HG21 ILE A 85 28.637 -22.299 19.450 1.00 16.15 H new ATOM 0 HG22 ILE A 85 29.172 -21.000 20.182 1.00 16.15 H new ATOM 0 HG23 ILE A 85 28.646 -20.909 18.691 1.00 16.15 H new ATOM 0 HD11 ILE A 85 29.913 -22.451 15.579 1.00 17.50 H new ATOM 0 HD12 ILE A 85 28.987 -21.603 16.544 1.00 17.50 H new ATOM 0 HD13 ILE A 85 30.429 -21.072 16.160 1.00 17.50 H new ATOM 683 N ASP A 86 30.935 -18.557 20.090 1.00 14.23 N ANISOU 683 N ASP A 86 1732 1844 1831 29 173 117 N ATOM 684 CA ASP A 86 31.010 -17.739 21.299 1.00 15.74 C ANISOU 684 CA ASP A 86 1930 2029 2022 33 200 95 C ATOM 685 C ASP A 86 30.040 -18.291 22.331 1.00 15.67 C ANISOU 685 C ASP A 86 1914 2042 1997 22 209 97 C ATOM 686 O ASP A 86 28.995 -18.874 21.991 1.00 15.42 O ANISOU 686 O ASP A 86 1864 2029 1966 20 205 119 O ATOM 687 CB ASP A 86 30.583 -16.280 21.013 1.00 18.06 C ANISOU 687 CB ASP A 86 2212 2308 2344 58 228 94 C ATOM 688 CG ASP A 86 31.516 -15.544 20.105 1.00 21.05 C ANISOU 688 CG ASP A 86 2597 2662 2737 68 224 92 C ATOM 689 OD1 ASP A 86 32.745 -15.701 20.211 1.00 21.12 O ANISOU 689 OD1 ASP A 86 2626 2661 2736 57 212 76 O ATOM 690 OD2 ASP A 86 30.991 -14.768 19.283 1.00 29.61 O ANISOU 690 OD2 ASP A 86 3666 3738 3845 87 233 109 O ATOM 0 H ASP A 86 30.513 -18.175 19.445 1.00 14.23 H new ATOM 0 HA ASP A 86 31.927 -17.758 21.615 1.00 15.74 H new ATOM 0 HB2 ASP A 86 29.697 -16.283 20.619 1.00 18.06 H new ATOM 0 HB3 ASP A 86 30.518 -15.800 21.854 1.00 18.06 H new ATOM 691 N SER A 87 30.339 -18.010 23.593 1.00 16.67 N ANISOU 691 N SER A 87 2054 2168 2109 15 225 75 N ATOM 692 CA SER A 87 29.531 -18.478 24.698 1.00 17.68 C ANISOU 692 CA SER A 87 2179 2319 2218 1 237 74 C ATOM 693 C SER A 87 28.098 -17.973 24.644 1.00 17.93 C ANISOU 693 C SER A 87 2182 2363 2266 16 263 84 C ATOM 694 O SER A 87 27.198 -18.640 25.156 1.00 19.29 O ANISOU 694 O SER A 87 2345 2561 2425 3 267 94 O ATOM 695 CB SER A 87 30.162 -18.095 26.038 1.00 17.93 C ANISOU 695 CB SER A 87 2232 2350 2231 -10 251 45 C ATOM 696 OG SER A 87 30.188 -16.695 26.241 1.00 19.04 O ANISOU 696 OG SER A 87 2370 2474 2389 8 283 24 O ATOM 0 H SER A 87 31.020 -17.540 23.829 1.00 16.67 H new ATOM 0 HA SER A 87 29.501 -19.444 24.616 1.00 17.68 H new ATOM 0 HB2 SER A 87 29.666 -18.515 26.758 1.00 17.93 H new ATOM 0 HB3 SER A 87 31.067 -18.442 26.077 1.00 17.93 H new ATOM 0 HG SER A 87 29.515 -16.464 26.687 1.00 19.04 H new ATOM 697 N ASP A 88 27.888 -16.821 24.016 1.00 18.23 N ANISOU 697 N ASP A 88 2207 2384 2334 42 281 83 N ATOM 698 CA ASP A 88 26.561 -16.245 23.918 1.00 20.97 C ANISOU 698 CA ASP A 88 2525 2741 2702 61 306 94 C ATOM 699 C ASP A 88 25.883 -16.455 22.565 1.00 20.23 C ANISOU 699 C ASP A 88 2406 2654 2627 72 289 127 C ATOM 700 O ASP A 88 24.789 -15.930 22.338 1.00 24.00 O ANISOU 700 O ASP A 88 2854 3139 3126 91 307 139 O ATOM 701 CB ASP A 88 26.580 -14.756 24.311 1.00 23.03 C ANISOU 701 CB ASP A 88 2785 2979 2987 83 342 71 C ATOM 702 CG ASP A 88 27.447 -13.891 23.412 1.00 23.05 C ANISOU 702 CG ASP A 88 2796 2948 3012 100 337 70 C ATOM 703 OD1 ASP A 88 28.184 -14.423 22.538 1.00 24.44 O ANISOU 703 OD1 ASP A 88 2982 3121 3183 92 306 83 O ATOM 704 OD2 ASP A 88 27.392 -12.655 23.613 1.00 28.56 O ANISOU 704 OD2 ASP A 88 3493 3624 3735 120 366 55 O ATOM 0 H ASP A 88 28.507 -16.358 23.639 1.00 18.23 H new ATOM 0 HA ASP A 88 26.015 -16.733 24.554 1.00 20.97 H new ATOM 0 HB2 ASP A 88 25.672 -14.415 24.295 1.00 23.03 H new ATOM 0 HB3 ASP A 88 26.897 -14.676 25.224 1.00 23.03 H new ATOM 705 N TYR A 89 26.480 -17.263 21.692 1.00 19.46 N ANISOU 705 N TYR A 89 2317 2555 2520 60 255 140 N ATOM 706 CA TYR A 89 25.851 -17.558 20.414 1.00 19.10 C ANISOU 706 CA TYR A 89 2250 2521 2487 66 237 171 C ATOM 707 C TYR A 89 24.804 -18.640 20.617 1.00 21.32 C ANISOU 707 C TYR A 89 2514 2834 2753 48 229 186 C ATOM 708 O TYR A 89 25.129 -19.733 21.063 1.00 25.78 O ANISOU 708 O TYR A 89 3096 3407 3294 23 213 183 O ATOM 709 CB TYR A 89 26.855 -18.034 19.367 1.00 19.98 C ANISOU 709 CB TYR A 89 2377 2621 2592 58 206 176 C ATOM 710 CG TYR A 89 26.150 -18.332 18.069 1.00 21.10 C ANISOU 710 CG TYR A 89 2496 2778 2742 61 188 206 C ATOM 711 CD1 TYR A 89 25.619 -17.308 17.299 1.00 23.67 C ANISOU 711 CD1 TYR A 89 2801 3101 3094 85 198 223 C ATOM 712 CD2 TYR A 89 25.952 -19.646 17.641 1.00 20.57 C ANISOU 712 CD2 TYR A 89 2428 2730 2657 38 162 217 C ATOM 713 CE1 TYR A 89 24.928 -17.581 16.129 1.00 23.45 C ANISOU 713 CE1 TYR A 89 2750 3091 3070 86 180 252 C ATOM 714 CE2 TYR A 89 25.270 -19.922 16.471 1.00 20.67 C ANISOU 714 CE2 TYR A 89 2420 2761 2674 37 145 243 C ATOM 715 CZ TYR A 89 24.752 -18.892 15.724 1.00 22.15 C ANISOU 715 CZ TYR A 89 2585 2948 2884 60 154 261 C ATOM 716 OH TYR A 89 24.070 -19.161 14.557 1.00 25.00 O ANISOU 716 OH TYR A 89 2923 3329 3246 57 135 288 O ATOM 0 H TYR A 89 27.240 -17.645 21.820 1.00 19.46 H new ATOM 0 HA TYR A 89 25.450 -16.737 20.088 1.00 19.10 H new ATOM 0 HB2 TYR A 89 27.533 -17.354 19.226 1.00 19.98 H new ATOM 0 HB3 TYR A 89 27.312 -18.829 19.685 1.00 19.98 H new ATOM 0 HD1 TYR A 89 25.728 -16.426 17.572 1.00 23.67 H new ATOM 0 HD2 TYR A 89 26.285 -20.348 18.152 1.00 20.57 H new ATOM 0 HE1 TYR A 89 24.584 -16.885 15.618 1.00 23.45 H new ATOM 0 HE2 TYR A 89 25.162 -20.802 16.190 1.00 20.67 H new ATOM 0 HH TYR A 89 24.040 -19.992 14.435 1.00 25.00 H new ATOM 717 N GLN A 90 23.556 -18.344 20.264 1.00 20.67 N ANISOU 717 N GLN A 90 2397 2769 2688 61 239 206 N ATOM 718 CA GLN A 90 22.446 -19.246 20.531 1.00 20.81 C ANISOU 718 CA GLN A 90 2394 2819 2693 44 237 221 C ATOM 719 C GLN A 90 21.620 -19.575 19.283 1.00 20.09 C ANISOU 719 C GLN A 90 2274 2747 2612 45 217 252 C ATOM 720 O GLN A 90 20.539 -20.145 19.388 1.00 22.54 O ANISOU 720 O GLN A 90 2560 3087 2919 34 217 266 O ATOM 721 CB GLN A 90 21.573 -18.613 21.612 1.00 25.51 C ANISOU 721 CB GLN A 90 2971 3425 3296 55 274 210 C ATOM 722 CG GLN A 90 22.351 -18.498 22.911 1.00 28.57 C ANISOU 722 CG GLN A 90 3389 3800 3665 45 291 179 C ATOM 723 CD GLN A 90 21.765 -17.498 23.881 1.00 34.69 C ANISOU 723 CD GLN A 90 4151 4577 4453 62 333 160 C ATOM 724 OE1 GLN A 90 20.697 -17.721 24.412 1.00 39.44 O ANISOU 724 OE1 GLN A 90 4729 5205 5051 57 350 164 O ATOM 725 NE2 GLN A 90 22.487 -16.403 24.140 1.00 38.38 N ANISOU 725 NE2 GLN A 90 4634 5015 4933 80 352 136 N ATOM 0 H GLN A 90 23.332 -17.616 19.864 1.00 20.67 H new ATOM 0 HA GLN A 90 22.806 -20.095 20.831 1.00 20.81 H new ATOM 0 HB2 GLN A 90 21.277 -17.735 21.325 1.00 25.51 H new ATOM 0 HB3 GLN A 90 20.777 -19.150 21.750 1.00 25.51 H new ATOM 0 HG2 GLN A 90 22.385 -19.369 23.337 1.00 28.57 H new ATOM 0 HG3 GLN A 90 23.266 -18.245 22.710 1.00 28.57 H new ATOM 0 HE21 GLN A 90 23.240 -16.281 23.743 1.00 38.38 H new ATOM 0 HE22 GLN A 90 22.198 -15.821 24.704 1.00 38.38 H new ATOM 726 N GLY A 91 22.134 -19.229 18.111 1.00 18.95 N ANISOU 726 N GLY A 91 2133 2590 2479 56 200 262 N ATOM 727 CA GLY A 91 21.476 -19.567 16.864 1.00 19.95 C ANISOU 727 CA GLY A 91 2235 2736 2609 54 177 291 C ATOM 728 C GLY A 91 21.809 -20.986 16.416 1.00 17.99 C ANISOU 728 C GLY A 91 2003 2498 2336 20 145 293 C ATOM 729 O GLY A 91 22.633 -21.683 17.025 1.00 18.47 O ANISOU 729 O GLY A 91 2094 2547 2378 2 139 274 O ATOM 0 H GLY A 91 22.870 -18.794 18.018 1.00 18.95 H new ATOM 0 HA2 GLY A 91 20.516 -19.478 16.970 1.00 19.95 H new ATOM 0 HA3 GLY A 91 21.745 -18.939 16.176 1.00 19.95 H new ATOM 730 N GLU A 92 21.211 -21.401 15.317 1.00 18.24 N ANISOU 730 N GLU A 92 2014 2551 2366 12 124 316 N ATOM 731 CA GLU A 92 21.519 -22.697 14.750 1.00 17.50 C ANISOU 731 CA GLU A 92 1934 2464 2250 -19 95 316 C ATOM 732 C GLU A 92 22.989 -22.771 14.369 1.00 16.98 C ANISOU 732 C GLU A 92 1904 2369 2177 -20 83 298 C ATOM 733 O GLU A 92 23.542 -21.846 13.769 1.00 18.73 O ANISOU 733 O GLU A 92 2129 2578 2411 0 86 299 O ATOM 734 CB GLU A 92 20.670 -22.967 13.515 1.00 18.19 C ANISOU 734 CB GLU A 92 1993 2580 2337 -27 74 343 C ATOM 735 CG GLU A 92 20.846 -24.372 12.969 1.00 18.56 C ANISOU 735 CG GLU A 92 2054 2635 2362 -63 46 340 C ATOM 736 CD GLU A 92 19.819 -24.754 11.930 1.00 19.88 C ANISOU 736 CD GLU A 92 2191 2837 2525 -78 27 364 C ATOM 737 OE1 GLU A 92 19.040 -23.887 11.487 1.00 24.53 O ANISOU 737 OE1 GLU A 92 2747 3445 3129 -58 32 387 O ATOM 738 OE2 GLU A 92 19.818 -25.936 11.538 1.00 21.35 O ANISOU 738 OE2 GLU A 92 2387 3032 2694 -110 6 360 O ATOM 0 H GLU A 92 20.623 -20.948 14.883 1.00 18.24 H new ATOM 0 HA GLU A 92 21.322 -23.368 15.422 1.00 17.50 H new ATOM 0 HB2 GLU A 92 19.736 -22.825 13.734 1.00 18.19 H new ATOM 0 HB3 GLU A 92 20.900 -22.326 12.824 1.00 18.19 H new ATOM 0 HG2 GLU A 92 21.731 -24.451 12.581 1.00 18.56 H new ATOM 0 HG3 GLU A 92 20.801 -25.004 13.704 1.00 18.56 H new ATOM 739 N LEU A 93 23.615 -23.885 14.704 1.00 15.30 N ANISOU 739 N LEU A 93 1717 2149 1947 -44 69 283 N ATOM 740 CA LEU A 93 24.950 -24.174 14.198 1.00 14.98 C ANISOU 740 CA LEU A 93 1705 2086 1900 -49 54 267 C ATOM 741 C LEU A 93 24.842 -24.519 12.718 1.00 14.95 C ANISOU 741 C LEU A 93 1694 2095 1892 -58 32 279 C ATOM 742 O LEU A 93 24.113 -25.424 12.325 1.00 15.98 O ANISOU 742 O LEU A 93 1813 2247 2013 -81 17 289 O ATOM 743 CB LEU A 93 25.600 -25.309 14.977 1.00 15.72 C ANISOU 743 CB LEU A 93 1826 2167 1979 -70 44 250 C ATOM 744 CG LEU A 93 25.845 -25.047 16.455 1.00 17.12 C ANISOU 744 CG LEU A 93 2017 2334 2156 -64 63 237 C ATOM 745 CD1 LEU A 93 26.285 -26.319 17.163 1.00 18.71 C ANISOU 745 CD1 LEU A 93 2242 2527 2342 -89 49 228 C ATOM 746 CD2 LEU A 93 26.849 -23.930 16.658 1.00 18.32 C ANISOU 746 CD2 LEU A 93 2182 2463 2317 -41 77 221 C ATOM 0 H LEU A 93 23.288 -24.488 15.222 1.00 15.30 H new ATOM 0 HA LEU A 93 25.515 -23.394 14.311 1.00 14.98 H new ATOM 0 HB2 LEU A 93 25.040 -26.097 14.895 1.00 15.72 H new ATOM 0 HB3 LEU A 93 26.449 -25.520 14.559 1.00 15.72 H new ATOM 0 HG LEU A 93 25.007 -24.759 16.850 1.00 17.12 H new ATOM 0 HD11 LEU A 93 26.436 -26.131 18.103 1.00 18.71 H new ATOM 0 HD12 LEU A 93 25.594 -26.994 17.076 1.00 18.71 H new ATOM 0 HD13 LEU A 93 27.107 -26.645 16.763 1.00 18.71 H new ATOM 0 HD21 LEU A 93 26.985 -23.785 17.607 1.00 18.32 H new ATOM 0 HD22 LEU A 93 27.692 -24.173 16.244 1.00 18.32 H new ATOM 0 HD23 LEU A 93 26.513 -23.115 16.252 1.00 18.32 H new ATOM 747 N MET A 94 25.572 -23.762 11.906 1.00 14.70 N ANISOU 747 N MET A 94 1666 2052 1865 -44 31 278 N ATOM 748 CA MET A 94 25.625 -23.932 10.457 1.00 15.32 C ANISOU 748 CA MET A 94 1740 2144 1937 -52 12 287 C ATOM 749 C MET A 94 27.059 -24.222 10.080 1.00 14.85 C ANISOU 749 C MET A 94 1709 2062 1870 -57 4 264 C ATOM 750 O MET A 94 27.977 -23.649 10.658 1.00 17.01 O ANISOU 750 O MET A 94 1999 2311 2151 -43 17 249 O ATOM 751 CB MET A 94 25.176 -22.649 9.748 1.00 18.40 C ANISOU 751 CB MET A 94 2107 2543 2341 -30 19 311 C ATOM 752 CG MET A 94 23.859 -22.086 10.247 1.00 20.27 C ANISOU 752 CG MET A 94 2312 2797 2592 -16 33 333 C ATOM 753 SD MET A 94 22.485 -23.138 9.807 1.00 22.65 S ANISOU 753 SD MET A 94 2585 3139 2880 -42 14 353 S ATOM 754 CE MET A 94 22.436 -22.925 8.046 1.00 23.18 C ANISOU 754 CE MET A 94 2641 3228 2939 -47 -9 374 C ATOM 0 H MET A 94 26.064 -23.117 12.190 1.00 14.70 H new ATOM 0 HA MET A 94 25.036 -24.655 10.191 1.00 15.32 H new ATOM 0 HB2 MET A 94 25.865 -21.975 9.856 1.00 18.40 H new ATOM 0 HB3 MET A 94 25.100 -22.827 8.798 1.00 18.40 H new ATOM 0 HG2 MET A 94 23.894 -21.985 11.211 1.00 20.27 H new ATOM 0 HG3 MET A 94 23.722 -21.201 9.874 1.00 20.27 H new ATOM 0 HE1 MET A 94 21.548 -23.136 7.719 1.00 23.18 H new ATOM 0 HE2 MET A 94 22.651 -22.005 7.825 1.00 23.18 H new ATOM 0 HE3 MET A 94 23.082 -23.517 7.630 1.00 23.18 H new ATOM 755 N ILE A 95 27.240 -25.126 9.121 1.00 13.85 N ANISOU 755 N ILE A 95 1589 1945 1730 -79 -16 259 N ATOM 756 CA AILE A 95 28.561 -25.543 8.691 0.60 13.92 C ANISOU 756 CA AILE A 95 1623 1935 1732 -85 -23 235 C ATOM 757 CA BILE A 95 28.559 -25.552 8.681 0.40 13.59 C ANISOU 757 CA BILE A 95 1581 1894 1690 -85 -24 235 C ATOM 758 C ILE A 95 28.842 -25.014 7.280 1.00 13.64 C ANISOU 758 C ILE A 95 1581 1911 1689 -85 -29 242 C ATOM 759 O ILE A 95 28.152 -25.357 6.320 1.00 14.62 O ANISOU 759 O ILE A 95 1692 2061 1802 -101 -43 256 O ATOM 760 CB AILE A 95 28.707 -27.080 8.728 0.60 15.33 C ANISOU 760 CB AILE A 95 1815 2109 1899 -111 -40 218 C ATOM 761 CB BILE A 95 28.676 -27.090 8.649 0.40 13.78 C ANISOU 761 CB BILE A 95 1619 1915 1703 -112 -40 219 C ATOM 762 CG1AILE A 95 28.358 -27.612 10.127 0.60 17.23 C ANISOU 762 CG1AILE A 95 2062 2342 2145 -114 -35 217 C ATOM 763 CG1BILE A 95 28.228 -27.696 9.979 0.40 13.50 C ANISOU 763 CG1BILE A 95 1587 1872 1671 -117 -37 219 C ATOM 764 CG2AILE A 95 30.126 -27.470 8.318 0.60 16.33 C ANISOU 764 CG2AILE A 95 1965 2215 2024 -114 -45 191 C ATOM 765 CG2BILE A 95 30.109 -27.502 8.331 0.40 14.67 C ANISOU 765 CG2BILE A 95 1755 2005 1814 -114 -45 191 C ATOM 766 CD1AILE A 95 28.203 -29.115 10.221 0.60 20.22 C ANISOU 766 CD1AILE A 95 2451 2717 2515 -142 -51 208 C ATOM 767 CD1BILE A 95 28.978 -27.145 11.173 0.40 13.38 C ANISOU 767 CD1BILE A 95 1586 1834 1665 -99 -22 208 C ATOM 0 H AILE A 95 26.596 -25.513 8.703 0.60 13.85 H new ATOM 0 H BILE A 95 26.593 -25.511 8.705 0.40 13.85 H new ATOM 0 HA AILE A 95 29.211 -25.171 9.307 0.60 13.59 H new ATOM 0 HA BILE A 95 29.204 -25.201 9.315 0.40 13.59 H new ATOM 0 HB AILE A 95 28.088 -27.481 8.098 0.60 13.78 H new ATOM 0 HB BILE A 95 28.092 -27.428 7.952 0.40 13.78 H new ATOM 0 HG12AILE A 95 29.050 -27.333 10.746 0.60 13.50 H new ATOM 0 HG12BILE A 95 27.279 -27.533 10.098 0.40 13.50 H new ATOM 0 HG13AILE A 95 27.532 -27.196 10.419 0.60 13.50 H new ATOM 0 HG13BILE A 95 28.348 -28.658 9.945 0.40 13.50 H new ATOM 0 HG21AILE A 95 30.216 -28.436 8.342 0.60 14.67 H new ATOM 0 HG21BILE A 95 30.171 -28.470 8.313 0.40 14.67 H new ATOM 0 HG22AILE A 95 30.302 -27.151 7.419 0.60 14.67 H new ATOM 0 HG22BILE A 95 30.364 -27.146 7.465 0.40 14.67 H new ATOM 0 HG23AILE A 95 30.762 -27.071 8.933 0.60 14.67 H new ATOM 0 HG23BILE A 95 30.705 -27.152 9.012 0.40 14.67 H new ATOM 0 HD11AILE A 95 27.984 -29.362 11.133 0.60 13.38 H new ATOM 0 HD11BILE A 95 28.651 -27.566 11.983 0.40 13.38 H new ATOM 0 HD12AILE A 95 27.491 -29.405 9.629 0.60 13.38 H new ATOM 0 HD12BILE A 95 29.925 -27.329 11.073 0.40 13.38 H new ATOM 0 HD13AILE A 95 29.034 -29.543 9.961 0.60 13.38 H new ATOM 0 HD13BILE A 95 28.839 -26.187 11.228 0.40 13.38 H new ATOM 768 N SER A 96 29.862 -24.171 7.167 1.00 13.54 N ANISOU 768 N SER A 96 1580 1881 1684 -69 -19 234 N ATOM 769 CA SER A 96 30.331 -23.728 5.877 1.00 13.27 C ANISOU 769 CA SER A 96 1545 1856 1641 -71 -23 238 C ATOM 770 C SER A 96 31.143 -24.871 5.300 1.00 12.72 C ANISOU 770 C SER A 96 1493 1784 1557 -93 -36 211 C ATOM 771 O SER A 96 32.244 -25.136 5.745 1.00 12.98 O ANISOU 771 O SER A 96 1545 1793 1595 -90 -32 185 O ATOM 772 CB SER A 96 31.209 -22.495 6.013 1.00 13.59 C ANISOU 772 CB SER A 96 1593 1875 1694 -50 -7 236 C ATOM 773 OG SER A 96 31.827 -22.174 4.786 1.00 14.68 O ANISOU 773 OG SER A 96 1735 2022 1823 -56 -11 237 O ATOM 0 H SER A 96 30.295 -23.846 7.835 1.00 13.54 H new ATOM 0 HA SER A 96 29.584 -23.491 5.305 1.00 13.27 H new ATOM 0 HB2 SER A 96 30.674 -21.745 6.315 1.00 13.59 H new ATOM 0 HB3 SER A 96 31.887 -22.650 6.689 1.00 13.59 H new ATOM 0 HG SER A 96 32.305 -21.490 4.883 1.00 14.68 H new ATOM 774 N THR A 97 30.580 -25.553 4.316 1.00 14.62 N ANISOU 774 N THR A 97 1726 2050 1780 -115 -51 216 N ATOM 775 CA THR A 97 31.155 -26.773 3.793 1.00 13.82 C ANISOU 775 CA THR A 97 1639 1946 1665 -138 -62 188 C ATOM 776 C THR A 97 31.761 -26.470 2.433 1.00 14.42 C ANISOU 776 C THR A 97 1717 2036 1725 -146 -64 183 C ATOM 777 O THR A 97 31.062 -26.062 1.510 1.00 16.98 O ANISOU 777 O THR A 97 2026 2390 2035 -154 -71 206 O ATOM 778 CB THR A 97 30.071 -27.833 3.689 1.00 16.31 C ANISOU 778 CB THR A 97 1947 2280 1972 -161 -77 193 C ATOM 779 OG1 THR A 97 29.424 -27.952 4.967 1.00 17.44 O ANISOU 779 OG1 THR A 97 2085 2413 2128 -153 -73 202 O ATOM 780 CG2 THR A 97 30.667 -29.141 3.270 1.00 16.74 C ANISOU 780 CG2 THR A 97 2019 2324 2016 -184 -87 161 C ATOM 0 H THR A 97 29.848 -25.317 3.932 1.00 14.62 H new ATOM 0 HA THR A 97 31.850 -27.110 4.380 1.00 13.82 H new ATOM 0 HB THR A 97 29.418 -27.577 3.019 1.00 16.31 H new ATOM 0 HG1 THR A 97 28.701 -27.524 4.956 1.00 17.44 H new ATOM 0 HG21 THR A 97 29.968 -29.810 3.207 1.00 16.74 H new ATOM 0 HG22 THR A 97 31.096 -29.039 2.406 1.00 16.74 H new ATOM 0 HG23 THR A 97 31.324 -29.422 3.926 1.00 16.74 H new ATOM 781 N TRP A 98 33.064 -26.697 2.322 1.00 13.13 N ANISOU 781 N TRP A 98 1572 1854 1564 -145 -58 153 N ATOM 782 CA TRP A 98 33.854 -26.340 1.143 1.00 13.29 C ANISOU 782 CA TRP A 98 1596 1886 1569 -152 -55 145 C ATOM 783 C TRP A 98 34.568 -27.560 0.606 1.00 13.04 C ANISOU 783 C TRP A 98 1578 1849 1527 -171 -60 107 C ATOM 784 O TRP A 98 35.212 -28.280 1.355 1.00 13.06 O ANISOU 784 O TRP A 98 1593 1824 1544 -166 -59 82 O ATOM 785 CB TRP A 98 34.861 -25.238 1.515 1.00 13.58 C ANISOU 785 CB TRP A 98 1638 1901 1619 -129 -39 143 C ATOM 786 CG TRP A 98 35.878 -24.912 0.489 1.00 13.49 C ANISOU 786 CG TRP A 98 1633 1897 1596 -136 -32 130 C ATOM 787 CD1 TRP A 98 35.692 -24.730 -0.848 1.00 15.08 C ANISOU 787 CD1 TRP A 98 1828 2129 1773 -154 -37 140 C ATOM 788 CD2 TRP A 98 37.267 -24.710 0.728 1.00 13.44 C ANISOU 788 CD2 TRP A 98 1638 1869 1600 -127 -20 104 C ATOM 789 NE1 TRP A 98 36.884 -24.429 -1.461 1.00 15.37 N ANISOU 789 NE1 TRP A 98 1873 2164 1803 -157 -26 122 N ATOM 790 CE2 TRP A 98 37.869 -24.423 -0.511 1.00 14.74 C ANISOU 790 CE2 TRP A 98 1803 2052 1746 -140 -16 99 C ATOM 791 CE3 TRP A 98 38.069 -24.745 1.876 1.00 13.97 C ANISOU 791 CE3 TRP A 98 1714 1905 1689 -111 -13 86 C ATOM 792 CZ2 TRP A 98 39.238 -24.180 -0.632 1.00 15.59 C ANISOU 792 CZ2 TRP A 98 1918 2147 1858 -137 -3 74 C ATOM 793 CZ3 TRP A 98 39.430 -24.496 1.744 1.00 14.64 C ANISOU 793 CZ3 TRP A 98 1805 1978 1778 -107 -2 62 C ATOM 794 CH2 TRP A 98 39.989 -24.230 0.507 1.00 15.26 C ANISOU 794 CH2 TRP A 98 1882 2074 1839 -120 3 57 C ATOM 0 H TRP A 98 33.527 -27.071 2.943 1.00 13.13 H new ATOM 0 HA TRP A 98 33.265 -26.005 0.449 1.00 13.29 H new ATOM 0 HB2 TRP A 98 34.366 -24.430 1.722 1.00 13.58 H new ATOM 0 HB3 TRP A 98 35.321 -25.505 2.326 1.00 13.58 H new ATOM 0 HD1 TRP A 98 34.874 -24.800 -1.284 1.00 15.08 H new ATOM 0 HE1 TRP A 98 36.993 -24.271 -2.299 1.00 15.37 H new ATOM 0 HE3 TRP A 98 37.699 -24.931 2.709 1.00 13.97 H new ATOM 0 HZ2 TRP A 98 39.624 -23.991 -1.457 1.00 15.59 H new ATOM 0 HZ3 TRP A 98 39.973 -24.508 2.499 1.00 14.64 H new ATOM 0 HH2 TRP A 98 40.905 -24.081 0.449 1.00 15.26 H new ATOM 795 N ASN A 99 34.423 -27.793 -0.699 1.00 13.25 N ANISOU 795 N ASN A 99 1601 1905 1528 -194 -67 104 N ATOM 796 CA ASN A 99 35.165 -28.825 -1.390 1.00 12.97 C ANISOU 796 CA ASN A 99 1579 1868 1482 -213 -67 65 C ATOM 797 C ASN A 99 36.479 -28.231 -1.893 1.00 13.40 C ANISOU 797 C ASN A 99 1639 1918 1534 -206 -53 48 C ATOM 798 O ASN A 99 36.506 -27.524 -2.906 1.00 14.18 O ANISOU 798 O ASN A 99 1732 2044 1611 -216 -50 61 O ATOM 799 CB ASN A 99 34.341 -29.384 -2.540 1.00 13.86 C ANISOU 799 CB ASN A 99 1685 2016 1564 -245 -80 67 C ATOM 800 CG ASN A 99 34.999 -30.568 -3.199 1.00 14.88 C ANISOU 800 CG ASN A 99 1828 2141 1683 -267 -80 23 C ATOM 801 OD1 ASN A 99 36.177 -30.839 -3.005 1.00 15.80 O ANISOU 801 OD1 ASN A 99 1957 2232 1813 -256 -69 -9 O ATOM 802 ND2 ASN A 99 34.226 -31.291 -3.991 1.00 15.84 N ANISOU 802 ND2 ASN A 99 1948 2289 1783 -297 -92 18 N ATOM 0 H ASN A 99 33.886 -27.350 -1.204 1.00 13.25 H new ATOM 0 HA ASN A 99 35.359 -29.557 -0.784 1.00 12.97 H new ATOM 0 HB2 ASN A 99 33.467 -29.645 -2.211 1.00 13.86 H new ATOM 0 HB3 ASN A 99 34.199 -28.688 -3.200 1.00 13.86 H new ATOM 0 HD21 ASN A 99 34.547 -31.981 -4.392 1.00 15.84 H new ATOM 0 HD22 ASN A 99 33.402 -31.072 -4.105 1.00 15.84 H new ATOM 803 N ARG A 100 37.547 -28.501 -1.146 1.00 13.16 N ANISOU 803 N ARG A 100 1620 1855 1526 -191 -44 22 N ATOM 804 CA ARG A 100 38.882 -27.973 -1.423 1.00 13.59 C ANISOU 804 CA ARG A 100 1678 1902 1583 -182 -29 3 C ATOM 805 C ARG A 100 39.678 -28.804 -2.401 1.00 15.96 C ANISOU 805 C ARG A 100 1984 2209 1869 -200 -24 -36 C ATOM 806 O ARG A 100 40.823 -28.458 -2.698 1.00 19.97 O ANISOU 806 O ARG A 100 2494 2713 2379 -195 -11 -55 O ATOM 807 CB ARG A 100 39.705 -27.868 -0.143 1.00 13.78 C ANISOU 807 CB ARG A 100 1708 1890 1637 -157 -23 -7 C ATOM 808 CG ARG A 100 40.011 -29.210 0.482 1.00 13.80 C ANISOU 808 CG ARG A 100 1720 1867 1656 -156 -30 -36 C ATOM 809 CD ARG A 100 41.302 -29.228 1.279 1.00 12.94 C ANISOU 809 CD ARG A 100 1616 1730 1571 -136 -23 -58 C ATOM 810 NE ARG A 100 41.682 -30.608 1.585 1.00 13.16 N ANISOU 810 NE ARG A 100 1652 1734 1613 -137 -30 -87 N ATOM 811 CZ ARG A 100 42.209 -31.450 0.702 1.00 14.28 C ANISOU 811 CZ ARG A 100 1798 1877 1751 -148 -28 -120 C ATOM 812 NH1 ARG A 100 42.490 -31.050 -0.533 1.00 16.89 N ANISOU 812 NH1 ARG A 100 2123 2233 2059 -162 -17 -129 N ATOM 813 NH2 ARG A 100 42.484 -32.697 1.062 1.00 15.85 N ANISOU 813 NH2 ARG A 100 2004 2049 1967 -147 -35 -143 N ATOM 0 H ARG A 100 37.516 -29.006 -0.451 1.00 13.16 H new ATOM 0 HA ARG A 100 38.723 -27.101 -1.817 1.00 13.59 H new ATOM 0 HB2 ARG A 100 40.538 -27.411 -0.338 1.00 13.78 H new ATOM 0 HB3 ARG A 100 39.225 -27.321 0.499 1.00 13.78 H new ATOM 0 HG2 ARG A 100 39.277 -29.462 1.064 1.00 13.80 H new ATOM 0 HG3 ARG A 100 40.062 -29.880 -0.217 1.00 13.80 H new ATOM 0 HD2 ARG A 100 42.008 -28.794 0.775 1.00 12.94 H new ATOM 0 HD3 ARG A 100 41.190 -28.725 2.101 1.00 12.94 H new ATOM 0 HE ARG A 100 41.556 -30.892 2.387 1.00 13.16 H new ATOM 0 HH11 ARG A 100 42.331 -30.238 -0.769 1.00 16.89 H new ATOM 0 HH12 ARG A 100 42.831 -31.603 -1.097 1.00 16.89 H new ATOM 0 HH21 ARG A 100 42.321 -32.959 1.865 1.00 15.85 H new ATOM 0 HH22 ARG A 100 42.825 -33.244 0.492 1.00 15.85 H new ATOM 814 N GLY A 101 39.096 -29.900 -2.884 1.00 15.24 N ANISOU 814 N GLY A 101 1897 2127 1767 -221 -34 -51 N ATOM 815 CA GLY A 101 39.796 -30.841 -3.753 1.00 18.51 C ANISOU 815 CA GLY A 101 2319 2544 2170 -239 -29 -94 C ATOM 816 C GLY A 101 39.292 -30.804 -5.175 1.00 17.01 C ANISOU 816 C GLY A 101 2125 2397 1942 -270 -31 -92 C ATOM 817 O GLY A 101 38.693 -29.822 -5.613 1.00 19.76 O ANISOU 817 O GLY A 101 2463 2774 2270 -275 -34 -56 O ATOM 0 H GLY A 101 38.281 -30.119 -2.716 1.00 15.24 H new ATOM 0 HA2 GLY A 101 40.745 -30.639 -3.745 1.00 18.51 H new ATOM 0 HA3 GLY A 101 39.694 -31.739 -3.401 1.00 18.51 H new ATOM 818 N GLN A 102 39.549 -31.887 -5.900 1.00 19.55 N ANISOU 818 N GLN A 102 2455 2722 2252 -291 -28 -132 N ATOM 819 CA GLN A 102 39.302 -31.926 -7.335 1.00 21.46 C ANISOU 819 CA GLN A 102 2695 3007 2452 -324 -27 -140 C ATOM 820 C GLN A 102 38.206 -32.899 -7.745 1.00 23.03 C ANISOU 820 C GLN A 102 2896 3221 2634 -354 -43 -146 C ATOM 821 O GLN A 102 37.967 -33.094 -8.937 1.00 27.27 O ANISOU 821 O GLN A 102 3433 3795 3134 -386 -44 -157 O ATOM 822 CB GLN A 102 40.601 -32.276 -8.076 1.00 26.74 C ANISOU 822 CB GLN A 102 3369 3675 3115 -331 -7 -188 C ATOM 823 CG GLN A 102 41.626 -31.142 -8.110 1.00 30.92 C ANISOU 823 CG GLN A 102 3893 4207 3647 -314 10 -180 C ATOM 824 CD GLN A 102 42.409 -31.007 -6.821 1.00 34.44 C ANISOU 824 CD GLN A 102 4339 4610 4137 -278 15 -184 C ATOM 825 OE1 GLN A 102 42.499 -29.919 -6.259 1.00 39.88 O ANISOU 825 OE1 GLN A 102 5022 5294 4836 -259 16 -152 O ATOM 826 NE2 GLN A 102 42.978 -32.107 -6.345 1.00 43.89 N ANISOU 826 NE2 GLN A 102 5543 5774 5361 -268 17 -222 N ATOM 0 H GLN A 102 39.870 -32.616 -5.576 1.00 19.55 H new ATOM 0 HA GLN A 102 38.991 -31.041 -7.581 1.00 21.46 H new ATOM 0 HB2 GLN A 102 41.004 -33.051 -7.654 1.00 26.74 H new ATOM 0 HB3 GLN A 102 40.384 -32.530 -8.987 1.00 26.74 H new ATOM 0 HG2 GLN A 102 42.244 -31.294 -8.842 1.00 30.92 H new ATOM 0 HG3 GLN A 102 41.169 -30.306 -8.293 1.00 30.92 H new ATOM 0 HE21 GLN A 102 42.893 -32.852 -6.766 1.00 43.89 H new ATOM 0 HE22 GLN A 102 43.432 -32.075 -5.615 1.00 43.89 H new ATOM 827 N THR A 103 37.534 -33.489 -6.761 1.00 21.74 N ANISOU 827 N THR A 103 2735 3031 2495 -345 -56 -137 N ATOM 828 CA THR A 103 36.539 -34.531 -7.010 1.00 22.87 C ANISOU 828 CA THR A 103 2882 3182 2627 -374 -71 -146 C ATOM 829 C THR A 103 35.169 -34.100 -6.481 1.00 20.30 C ANISOU 829 C THR A 103 2543 2871 2300 -374 -89 -96 C ATOM 830 O THR A 103 35.032 -33.727 -5.328 1.00 20.88 O ANISOU 830 O THR A 103 2612 2920 2400 -347 -91 -72 O ATOM 831 CB THR A 103 36.970 -35.831 -6.301 1.00 24.11 C ANISOU 831 CB THR A 103 3054 3290 2816 -367 -69 -184 C ATOM 832 OG1 THR A 103 38.291 -36.192 -6.724 1.00 29.20 O ANISOU 832 OG1 THR A 103 3707 3918 3468 -362 -50 -230 O ATOM 833 CG2 THR A 103 36.008 -36.977 -6.595 1.00 27.19 C ANISOU 833 CG2 THR A 103 3450 3684 3197 -400 -82 -197 C ATOM 0 H THR A 103 37.641 -33.297 -5.930 1.00 21.74 H new ATOM 0 HA THR A 103 36.475 -34.679 -7.966 1.00 22.87 H new ATOM 0 HB THR A 103 36.959 -35.669 -5.345 1.00 24.11 H new ATOM 0 HG1 THR A 103 38.526 -36.899 -6.337 1.00 29.20 H new ATOM 0 HG21 THR A 103 36.307 -37.777 -6.135 1.00 27.19 H new ATOM 0 HG22 THR A 103 35.119 -36.741 -6.287 1.00 27.19 H new ATOM 0 HG23 THR A 103 35.985 -37.143 -7.550 1.00 27.19 H new ATOM 834 N GLU A 104 34.162 -34.135 -7.342 1.00 20.91 N ANISOU 834 N GLU A 104 2611 2991 2344 -405 -102 -81 N ATOM 835 CA AGLU A 104 32.811 -33.857 -6.919 0.60 19.93 C ANISOU 835 CA AGLU A 104 2472 2884 2219 -408 -120 -38 C ATOM 836 CA BGLU A 104 32.771 -33.915 -6.954 0.40 21.22 C ANISOU 836 CA BGLU A 104 2635 3048 2381 -410 -121 -39 C ATOM 837 C GLU A 104 32.399 -34.859 -5.830 1.00 20.83 C ANISOU 837 C GLU A 104 2593 2961 2362 -405 -127 -47 C ATOM 838 O GLU A 104 32.763 -36.040 -5.871 1.00 23.02 O ANISOU 838 O GLU A 104 2886 3213 2647 -419 -124 -88 O ATOM 839 CB AGLU A 104 31.871 -33.933 -8.125 0.60 21.48 C ANISOU 839 CB AGLU A 104 2657 3133 2372 -447 -135 -27 C ATOM 840 CB BGLU A 104 31.827 -34.214 -8.125 0.40 23.66 C ANISOU 840 CB BGLU A 104 2934 3406 2648 -452 -136 -34 C ATOM 841 CG AGLU A 104 30.500 -33.363 -7.875 0.60 22.01 C ANISOU 841 CG AGLU A 104 2700 3227 2434 -448 -154 25 C ATOM 842 CG BGLU A 104 31.446 -33.028 -8.978 0.40 25.17 C ANISOU 842 CG BGLU A 104 3109 3647 2808 -457 -142 5 C ATOM 843 CD AGLU A 104 29.658 -33.315 -9.136 0.60 25.27 C ANISOU 843 CD AGLU A 104 3099 3699 2803 -486 -170 40 C ATOM 844 CD BGLU A 104 30.099 -33.233 -9.633 0.40 27.95 C ANISOU 844 CD BGLU A 104 3444 4045 3129 -491 -165 28 C ATOM 845 OE1AGLU A 104 29.624 -34.316 -9.879 0.60 28.12 O ANISOU 845 OE1AGLU A 104 3470 4072 3140 -522 -174 3 O ATOM 846 OE1BGLU A 104 29.956 -34.179 -10.432 0.40 29.62 O ANISOU 846 OE1BGLU A 104 3663 4275 3315 -530 -171 -4 O ATOM 847 OE2AGLU A 104 29.028 -32.268 -9.375 0.60 30.86 O ANISOU 847 OE2AGLU A 104 3786 4439 3499 -478 -180 88 O ATOM 848 OE2BGLU A 104 29.175 -32.462 -9.317 0.40 30.23 O ANISOU 848 OE2BGLU A 104 3711 4353 3422 -479 -178 78 O ATOM 0 H AGLU A 104 34.246 -34.319 -8.178 0.60 20.91 H new ATOM 0 H BGLU A 104 34.266 -34.289 -8.182 0.40 20.91 H new ATOM 0 HA AGLU A 104 32.757 -32.963 -6.547 0.60 21.22 H new ATOM 0 HA BGLU A 104 32.684 -32.989 -6.680 0.40 21.22 H new ATOM 0 HB2AGLU A 104 32.276 -33.460 -8.869 0.60 23.66 H new ATOM 0 HB2BGLU A 104 32.245 -34.880 -8.694 0.40 23.66 H new ATOM 0 HB3AGLU A 104 31.781 -34.861 -8.394 0.60 23.66 H new ATOM 0 HB3BGLU A 104 31.016 -34.611 -7.772 0.40 23.66 H new ATOM 0 HG2AGLU A 104 30.046 -33.899 -7.206 0.60 25.17 H new ATOM 0 HG2BGLU A 104 31.424 -32.227 -8.431 0.40 25.17 H new ATOM 0 HG3AGLU A 104 30.586 -32.468 -7.511 0.60 25.17 H new ATOM 0 HG3BGLU A 104 32.121 -32.887 -9.660 0.40 25.17 H new ATOM 849 N PHE A 105 31.653 -34.354 -4.855 1.00 19.35 N ANISOU 849 N PHE A 105 2393 2768 2192 -386 -133 -7 N ATOM 850 CA PHE A 105 31.253 -35.131 -3.690 1.00 18.49 C ANISOU 850 CA PHE A 105 2289 2626 2111 -381 -138 -8 C ATOM 851 C PHE A 105 29.776 -34.941 -3.433 1.00 18.60 C ANISOU 851 C PHE A 105 2283 2667 2118 -392 -153 31 C ATOM 852 O PHE A 105 29.265 -33.841 -3.571 1.00 20.67 O ANISOU 852 O PHE A 105 2525 2958 2372 -381 -155 69 O ATOM 853 CB PHE A 105 32.033 -34.602 -2.477 1.00 19.19 C ANISOU 853 CB PHE A 105 2383 2676 2232 -341 -126 -2 C ATOM 854 CG PHE A 105 31.815 -35.386 -1.214 1.00 18.91 C ANISOU 854 CG PHE A 105 2356 2604 2224 -334 -130 -3 C ATOM 855 CD1 PHE A 105 32.513 -36.555 -0.986 1.00 22.81 C ANISOU 855 CD1 PHE A 105 2872 3061 2735 -338 -128 -40 C ATOM 856 CD2 PHE A 105 30.901 -34.953 -0.268 1.00 20.30 C ANISOU 856 CD2 PHE A 105 2520 2784 2410 -324 -134 33 C ATOM 857 CE1 PHE A 105 32.324 -37.286 0.178 1.00 23.61 C ANISOU 857 CE1 PHE A 105 2983 3128 2862 -333 -133 -37 C ATOM 858 CE2 PHE A 105 30.709 -35.676 0.896 1.00 22.06 C ANISOU 858 CE2 PHE A 105 2751 2975 2655 -320 -137 34 C ATOM 859 CZ PHE A 105 31.410 -36.847 1.107 1.00 22.95 C ANISOU 859 CZ PHE A 105 2886 3050 2782 -326 -138 0 C ATOM 0 H PHE A 105 31.363 -33.545 -4.851 1.00 19.35 H new ATOM 0 HA PHE A 105 31.436 -36.072 -3.840 1.00 18.49 H new ATOM 0 HB2 PHE A 105 32.980 -34.605 -2.688 1.00 19.19 H new ATOM 0 HB3 PHE A 105 31.780 -33.679 -2.320 1.00 19.19 H new ATOM 0 HD1 PHE A 105 33.120 -36.857 -1.623 1.00 22.81 H new ATOM 0 HD2 PHE A 105 30.415 -34.174 -0.415 1.00 20.30 H new ATOM 0 HE1 PHE A 105 32.810 -38.064 0.328 1.00 23.61 H new ATOM 0 HE2 PHE A 105 30.107 -35.373 1.537 1.00 22.06 H new ATOM 0 HZ PHE A 105 31.263 -37.341 1.881 1.00 22.95 H new ATOM 860 N VAL A 106 29.096 -36.013 -3.042 1.00 17.99 N ANISOU 860 N VAL A 106 2209 2579 2047 -413 -163 23 N ATOM 861 CA VAL A 106 27.703 -35.907 -2.641 1.00 19.17 C ANISOU 861 CA VAL A 106 2337 2751 2194 -423 -175 60 C ATOM 862 C VAL A 106 27.598 -36.057 -1.127 1.00 17.61 C ANISOU 862 C VAL A 106 2144 2518 2029 -401 -170 71 C ATOM 863 O VAL A 106 27.936 -37.090 -0.569 1.00 20.04 O ANISOU 863 O VAL A 106 2471 2789 2353 -407 -170 47 O ATOM 864 CB VAL A 106 26.832 -36.956 -3.346 1.00 20.74 C ANISOU 864 CB VAL A 106 2535 2974 2373 -469 -191 47 C ATOM 865 CG1 VAL A 106 25.377 -36.730 -2.967 1.00 21.56 C ANISOU 865 CG1 VAL A 106 2610 3107 2474 -478 -204 88 C ATOM 866 CG2 VAL A 106 27.014 -36.870 -4.856 1.00 19.72 C ANISOU 866 CG2 VAL A 106 2405 2882 2208 -494 -195 31 C ATOM 0 H VAL A 106 29.423 -36.807 -3.002 1.00 17.99 H new ATOM 0 HA VAL A 106 27.374 -35.033 -2.904 1.00 19.17 H new ATOM 0 HB VAL A 106 27.102 -37.844 -3.064 1.00 20.74 H new ATOM 0 HG11 VAL A 106 24.821 -37.390 -3.410 1.00 21.56 H new ATOM 0 HG12 VAL A 106 25.276 -36.815 -2.006 1.00 21.56 H new ATOM 0 HG13 VAL A 106 25.105 -35.841 -3.243 1.00 21.56 H new ATOM 0 HG21 VAL A 106 26.458 -37.538 -5.288 1.00 19.72 H new ATOM 0 HG22 VAL A 106 26.756 -35.987 -5.164 1.00 19.72 H new ATOM 0 HG23 VAL A 106 27.944 -37.030 -5.080 1.00 19.72 H new ATOM 867 N LEU A 107 27.150 -34.988 -0.485 1.00 17.94 N ANISOU 867 N LEU A 107 2166 2570 2079 -375 -167 108 N ATOM 868 CA LEU A 107 26.924 -34.972 0.945 1.00 18.41 C ANISOU 868 CA LEU A 107 2225 2604 2163 -356 -161 123 C ATOM 869 C LEU A 107 25.569 -35.604 1.259 1.00 18.45 C ANISOU 869 C LEU A 107 2217 2628 2167 -382 -173 140 C ATOM 870 O LEU A 107 24.552 -35.189 0.715 1.00 19.70 O ANISOU 870 O LEU A 107 2348 2828 2309 -394 -181 165 O ATOM 871 CB LEU A 107 26.939 -33.547 1.443 1.00 20.08 C ANISOU 871 CB LEU A 107 2422 2823 2385 -320 -150 153 C ATOM 872 CG LEU A 107 26.845 -33.380 2.954 1.00 22.02 C ANISOU 872 CG LEU A 107 2669 3043 2654 -298 -140 165 C ATOM 873 CD1 LEU A 107 27.967 -34.068 3.723 1.00 24.80 C ANISOU 873 CD1 LEU A 107 3050 3349 3023 -289 -135 136 C ATOM 874 CD2 LEU A 107 26.847 -31.892 3.251 1.00 25.22 C ANISOU 874 CD2 LEU A 107 3060 3458 3067 -265 -128 190 C ATOM 0 H LEU A 107 26.967 -34.244 -0.875 1.00 17.94 H new ATOM 0 HA LEU A 107 27.625 -35.477 1.385 1.00 18.41 H new ATOM 0 HB2 LEU A 107 27.755 -33.122 1.136 1.00 20.08 H new ATOM 0 HB3 LEU A 107 26.200 -33.070 1.034 1.00 20.08 H new ATOM 0 HG LEU A 107 26.028 -33.809 3.252 1.00 22.02 H new ATOM 0 HD11 LEU A 107 27.845 -33.921 4.674 1.00 24.80 H new ATOM 0 HD12 LEU A 107 27.950 -35.020 3.538 1.00 24.80 H new ATOM 0 HD13 LEU A 107 28.821 -33.701 3.447 1.00 24.80 H new ATOM 0 HD21 LEU A 107 26.788 -31.753 4.209 1.00 25.22 H new ATOM 0 HD22 LEU A 107 27.667 -31.496 2.917 1.00 25.22 H new ATOM 0 HD23 LEU A 107 26.087 -31.474 2.817 1.00 25.22 H new ATOM 875 N ASN A 108 25.570 -36.593 2.144 1.00 18.50 N ANISOU 875 N ASN A 108 2239 2602 2188 -391 -173 129 N ATOM 876 CA ASN A 108 24.347 -37.300 2.523 1.00 19.18 C ANISOU 876 CA ASN A 108 2314 2701 2274 -419 -183 143 C ATOM 877 C ASN A 108 23.641 -36.671 3.690 1.00 18.94 C ANISOU 877 C ASN A 108 2265 2676 2255 -400 -175 176 C ATOM 878 O ASN A 108 24.287 -36.161 4.607 1.00 18.29 O ANISOU 878 O ASN A 108 2192 2569 2190 -369 -162 179 O ATOM 879 CB ASN A 108 24.655 -38.727 2.923 1.00 21.44 C ANISOU 879 CB ASN A 108 2627 2947 2571 -440 -187 116 C ATOM 880 CG ASN A 108 24.728 -39.651 1.760 1.00 22.96 C ANISOU 880 CG ASN A 108 2831 3143 2749 -475 -197 86 C ATOM 881 OD1 ASN A 108 23.996 -39.500 0.771 1.00 22.00 O ANISOU 881 OD1 ASN A 108 2691 3065 2604 -499 -206 92 O ATOM 882 ND2 ASN A 108 25.601 -40.633 1.862 1.00 24.44 N ANISOU 882 ND2 ASN A 108 3050 3287 2951 -480 -195 52 N ATOM 0 H ASN A 108 26.278 -36.875 2.543 1.00 18.50 H new ATOM 0 HA ASN A 108 23.776 -37.259 1.740 1.00 19.18 H new ATOM 0 HB2 ASN A 108 25.499 -38.749 3.401 1.00 21.44 H new ATOM 0 HB3 ASN A 108 23.973 -39.040 3.537 1.00 21.44 H new ATOM 0 HD21 ASN A 108 25.681 -41.205 1.225 1.00 24.44 H new ATOM 0 HD22 ASN A 108 26.090 -40.702 2.566 1.00 24.44 H new ATOM 883 N PRO A 109 22.302 -36.751 3.695 1.00 17.50 N ANISOU 883 N PRO A 109 2055 2528 2065 -421 -182 200 N ATOM 884 CA PRO A 109 21.571 -36.452 4.910 1.00 18.41 C ANISOU 884 CA PRO A 109 2156 2646 2194 -410 -174 226 C ATOM 885 C PRO A 109 22.139 -37.205 6.099 1.00 18.30 C ANISOU 885 C PRO A 109 2170 2587 2196 -408 -167 213 C ATOM 886 O PRO A 109 22.430 -38.403 6.001 1.00 19.12 O ANISOU 886 O PRO A 109 2297 2665 2301 -433 -176 191 O ATOM 887 CB PRO A 109 20.153 -36.937 4.577 1.00 19.41 C ANISOU 887 CB PRO A 109 2255 2811 2308 -446 -186 242 C ATOM 888 CG PRO A 109 20.048 -36.765 3.103 1.00 20.50 C ANISOU 888 CG PRO A 109 2381 2981 2425 -461 -200 238 C ATOM 889 CD PRO A 109 21.401 -37.149 2.593 1.00 19.11 C ANISOU 889 CD PRO A 109 2242 2772 2248 -458 -199 203 C ATOM 0 HA PRO A 109 21.612 -35.516 5.160 1.00 18.41 H new ATOM 0 HB2 PRO A 109 20.025 -37.863 4.836 1.00 19.41 H new ATOM 0 HB3 PRO A 109 19.481 -36.416 5.044 1.00 19.41 H new ATOM 0 HG2 PRO A 109 19.354 -37.330 2.729 1.00 20.50 H new ATOM 0 HG3 PRO A 109 19.827 -35.850 2.868 1.00 20.50 H new ATOM 0 HD2 PRO A 109 21.458 -38.100 2.409 1.00 19.11 H new ATOM 0 HD3 PRO A 109 21.618 -36.687 1.768 1.00 19.11 H new ATOM 890 N PHE A 110 22.323 -36.472 7.195 1.00 18.75 N ANISOU 890 N PHE A 110 2225 2633 2265 -377 -152 227 N ATOM 891 CA PHE A 110 22.821 -36.996 8.470 1.00 19.02 C ANISOU 891 CA PHE A 110 2283 2630 2313 -372 -146 221 C ATOM 892 C PHE A 110 24.288 -37.389 8.474 1.00 18.11 C ANISOU 892 C PHE A 110 2202 2471 2206 -359 -147 194 C ATOM 893 O PHE A 110 24.773 -37.910 9.468 1.00 19.56 O ANISOU 893 O PHE A 110 2407 2623 2401 -356 -145 190 O ATOM 894 CB PHE A 110 21.961 -38.165 8.971 1.00 20.37 C ANISOU 894 CB PHE A 110 2456 2800 2483 -409 -153 228 C ATOM 895 CG PHE A 110 20.507 -37.858 9.005 1.00 23.04 C ANISOU 895 CG PHE A 110 2758 3183 2814 -423 -152 255 C ATOM 896 CD1 PHE A 110 20.012 -36.927 9.897 1.00 26.17 C ANISOU 896 CD1 PHE A 110 3133 3596 3215 -401 -135 277 C ATOM 897 CD2 PHE A 110 19.622 -38.517 8.153 1.00 25.58 C ANISOU 897 CD2 PHE A 110 3065 3530 3124 -461 -166 256 C ATOM 898 CE1 PHE A 110 18.660 -36.654 9.947 1.00 33.33 C ANISOU 898 CE1 PHE A 110 4003 4545 4118 -412 -132 301 C ATOM 899 CE2 PHE A 110 18.268 -38.243 8.198 1.00 30.76 C ANISOU 899 CE2 PHE A 110 3683 4229 3774 -475 -166 281 C ATOM 900 CZ PHE A 110 17.786 -37.308 9.093 1.00 32.12 C ANISOU 900 CZ PHE A 110 3833 4419 3954 -449 -149 304 C ATOM 0 H PHE A 110 22.157 -35.629 7.220 1.00 18.75 H new ATOM 0 HA PHE A 110 22.746 -36.247 9.082 1.00 19.02 H new ATOM 0 HB2 PHE A 110 22.109 -38.934 8.399 1.00 20.37 H new ATOM 0 HB3 PHE A 110 22.253 -38.414 9.862 1.00 20.37 H new ATOM 0 HD1 PHE A 110 20.594 -36.481 10.468 1.00 26.17 H new ATOM 0 HD2 PHE A 110 19.945 -39.146 7.549 1.00 25.58 H new ATOM 0 HE1 PHE A 110 18.335 -36.030 10.555 1.00 33.33 H new ATOM 0 HE2 PHE A 110 17.683 -38.687 7.627 1.00 30.76 H new ATOM 0 HZ PHE A 110 16.876 -37.118 9.123 1.00 32.12 H new ATOM 901 N GLU A 111 25.004 -37.131 7.384 1.00 17.95 N ANISOU 901 N GLU A 111 2187 2452 2182 -352 -150 175 N ATOM 902 CA GLU A 111 26.419 -37.449 7.341 1.00 17.81 C ANISOU 902 CA GLU A 111 2198 2396 2175 -338 -149 147 C ATOM 903 C GLU A 111 27.185 -36.595 8.354 1.00 16.72 C ANISOU 903 C GLU A 111 2064 2240 2047 -302 -136 153 C ATOM 904 O GLU A 111 26.931 -35.390 8.483 1.00 16.59 O ANISOU 904 O GLU A 111 2030 2246 2029 -281 -125 170 O ATOM 905 CB GLU A 111 26.974 -37.213 5.934 1.00 20.46 C ANISOU 905 CB GLU A 111 2533 2742 2500 -338 -152 127 C ATOM 906 CG GLU A 111 28.416 -37.635 5.779 1.00 22.32 C ANISOU 906 CG GLU A 111 2794 2939 2746 -326 -150 95 C ATOM 907 CD GLU A 111 28.858 -37.814 4.339 1.00 25.29 C ANISOU 907 CD GLU A 111 3174 3325 3110 -338 -153 69 C ATOM 908 OE1 GLU A 111 29.995 -38.277 4.167 1.00 28.94 O ANISOU 908 OE1 GLU A 111 3656 3757 3583 -330 -151 39 O ATOM 909 OE2 GLU A 111 28.093 -37.505 3.394 1.00 29.15 O ANISOU 909 OE2 GLU A 111 3645 3853 3578 -355 -158 77 O ATOM 0 H GLU A 111 24.690 -36.775 6.667 1.00 17.95 H new ATOM 0 HA GLU A 111 26.532 -38.385 7.570 1.00 17.81 H new ATOM 0 HB2 GLU A 111 26.431 -37.699 5.294 1.00 20.46 H new ATOM 0 HB3 GLU A 111 26.894 -36.271 5.716 1.00 20.46 H new ATOM 0 HG2 GLU A 111 28.984 -36.972 6.201 1.00 22.32 H new ATOM 0 HG3 GLU A 111 28.552 -38.469 6.255 1.00 22.32 H new ATOM 910 N ARG A 112 28.114 -37.215 9.073 1.00 17.07 N ANISOU 910 N ARG A 112 2133 2246 2105 -294 -138 139 N ATOM 911 CA AARG A 112 28.989 -36.475 9.970 0.50 16.44 C ANISOU 911 CA AARG A 112 2061 2151 2036 -263 -128 140 C ATOM 912 CA BARG A 112 28.990 -36.475 9.970 0.50 16.49 C ANISOU 912 CA BARG A 112 2068 2157 2042 -263 -128 140 C ATOM 913 C ARG A 112 29.886 -35.581 9.123 1.00 15.54 C ANISOU 913 C ARG A 112 1944 2041 1921 -241 -121 125 C ATOM 914 O ARG A 112 30.544 -36.047 8.202 1.00 18.27 O ANISOU 914 O ARG A 112 2299 2376 2266 -247 -127 102 O ATOM 915 CB AARG A 112 29.827 -37.431 10.820 0.50 16.98 C ANISOU 915 CB AARG A 112 2155 2177 2118 -262 -135 130 C ATOM 916 CB BARG A 112 29.844 -37.428 10.803 0.50 17.13 C ANISOU 916 CB BARG A 112 2175 2197 2138 -262 -135 129 C ATOM 917 CG AARG A 112 29.004 -38.205 11.838 0.50 19.44 C ANISOU 917 CG AARG A 112 2472 2484 2430 -282 -140 149 C ATOM 918 CG BARG A 112 29.051 -38.280 11.780 0.50 19.87 C ANISOU 918 CG BARG A 112 2527 2536 2485 -283 -141 147 C ATOM 919 CD AARG A 112 29.851 -39.221 12.582 0.50 21.71 C ANISOU 919 CD AARG A 112 2787 2729 2734 -282 -150 142 C ATOM 920 CD BARG A 112 29.952 -39.330 12.401 0.50 21.85 C ANISOU 920 CD BARG A 112 2806 2744 2753 -283 -152 138 C ATOM 921 NE AARG A 112 30.259 -40.316 11.710 0.50 26.37 N ANISOU 921 NE AARG A 112 3392 3294 3335 -296 -162 119 N ATOM 922 NE BARG A 112 29.301 -40.099 13.455 0.50 24.76 N ANISOU 922 NE BARG A 112 3182 3103 3121 -302 -157 159 N ATOM 923 CZ AARG A 112 31.179 -41.222 12.024 0.50 31.71 C ANISOU 923 CZ AARG A 112 4090 3928 4029 -291 -172 106 C ATOM 924 CZ BARG A 112 28.847 -41.334 13.301 0.50 30.61 C ANISOU 924 CZ BARG A 112 3934 3827 3867 -332 -169 159 C ATOM 925 NH1AARG A 112 31.484 -42.180 11.162 0.50 36.96 N ANISOU 925 NH1AARG A 112 4767 4571 4706 -304 -180 82 N ATOM 926 NH1BARG A 112 28.281 -41.961 14.322 0.50 32.87 N ANISOU 926 NH1BARG A 112 4228 4106 4153 -350 -173 181 N ATOM 927 NH2AARG A 112 31.801 -41.166 13.195 0.50 35.57 N ANISOU 927 NH2AARG A 112 4590 4399 4527 -274 -174 118 N ATOM 928 NH2BARG A 112 28.956 -41.937 12.126 0.50 36.47 N ANISOU 928 NH2BARG A 112 4681 4561 4615 -344 -176 136 N ATOM 0 H AARG A 112 28.253 -38.063 9.055 0.50 17.07 H new ATOM 0 H BARG A 112 28.253 -38.064 9.055 0.50 17.07 H new ATOM 0 HA AARG A 112 28.460 -35.935 10.578 0.50 16.49 H new ATOM 0 HA BARG A 112 28.457 -35.943 10.582 0.50 16.49 H new ATOM 0 HB2AARG A 112 30.283 -38.058 10.237 0.50 17.13 H new ATOM 0 HB2BARG A 112 30.336 -38.012 10.205 0.50 17.13 H new ATOM 0 HB3AARG A 112 30.513 -36.926 11.284 0.50 17.13 H new ATOM 0 HB3BARG A 112 30.499 -36.911 11.298 0.50 17.13 H new ATOM 0 HG2AARG A 112 28.607 -37.587 12.472 0.50 19.87 H new ATOM 0 HG2BARG A 112 28.669 -37.720 12.473 0.50 19.87 H new ATOM 0 HG3AARG A 112 28.274 -38.658 11.388 0.50 19.87 H new ATOM 0 HG3BARG A 112 28.311 -38.708 11.321 0.50 19.87 H new ATOM 0 HD2AARG A 112 30.637 -38.785 12.945 0.50 21.85 H new ATOM 0 HD2BARG A 112 30.257 -39.937 11.708 0.50 21.85 H new ATOM 0 HD3AARG A 112 29.350 -39.574 13.334 0.50 21.85 H new ATOM 0 HD3BARG A 112 30.740 -38.897 12.765 0.50 21.85 H new ATOM 0 HE AARG A 112 29.879 -40.380 10.941 0.50 24.76 H new ATOM 0 HE BARG A 112 29.206 -39.728 14.225 0.50 24.76 H new ATOM 0 HH11AARG A 112 31.087 -42.215 10.400 0.50 32.87 H new ATOM 0 HH11BARG A 112 28.209 -41.566 15.083 0.50 32.87 H new ATOM 0 HH12AARG A 112 32.079 -42.767 11.364 0.50 32.87 H new ATOM 0 HH12BARG A 112 27.986 -42.763 14.224 0.50 32.87 H new ATOM 0 HH21AARG A 112 31.609 -40.542 13.754 0.50 36.47 H new ATOM 0 HH21BARG A 112 29.321 -41.527 11.464 0.50 36.47 H new ATOM 0 HH22AARG A 112 32.396 -41.754 13.395 0.50 36.47 H new ATOM 0 HH22BARG A 112 28.662 -42.739 12.025 0.50 36.47 H new ATOM 929 N LEU A 113 29.903 -34.296 9.443 1.00 15.66 N ANISOU 929 N LEU A 113 1946 2069 1934 -218 -108 138 N ATOM 930 CA LEU A 113 30.526 -33.300 8.610 1.00 16.40 C ANISOU 930 CA LEU A 113 2034 2173 2025 -201 -101 131 C ATOM 931 C LEU A 113 31.631 -32.475 9.279 1.00 15.18 C ANISOU 931 C LEU A 113 1887 2000 1881 -172 -90 124 C ATOM 932 O LEU A 113 32.527 -31.952 8.608 1.00 17.88 O ANISOU 932 O LEU A 113 2232 2339 2224 -161 -86 110 O ATOM 933 CB LEU A 113 29.398 -32.391 8.159 1.00 20.29 C ANISOU 933 CB LEU A 113 2500 2702 2508 -201 -96 156 C ATOM 934 CG LEU A 113 29.714 -31.287 7.214 1.00 21.10 C ANISOU 934 CG LEU A 113 2592 2820 2605 -187 -89 158 C ATOM 935 CD1 LEU A 113 30.435 -31.826 5.984 1.00 22.90 C ANISOU 935 CD1 LEU A 113 2830 3046 2824 -200 -97 134 C ATOM 936 CD2 LEU A 113 28.399 -30.602 6.864 1.00 21.79 C ANISOU 936 CD2 LEU A 113 2651 2943 2685 -189 -88 188 C ATOM 0 H LEU A 113 29.547 -33.980 10.160 1.00 15.66 H new ATOM 0 HA LEU A 113 30.986 -33.751 7.885 1.00 16.40 H new ATOM 0 HB2 LEU A 113 28.718 -32.946 7.747 1.00 20.29 H new ATOM 0 HB3 LEU A 113 29.001 -31.997 8.952 1.00 20.29 H new ATOM 0 HG LEU A 113 30.316 -30.641 7.615 1.00 21.10 H new ATOM 0 HD11 LEU A 113 30.634 -31.095 5.379 1.00 22.90 H new ATOM 0 HD12 LEU A 113 31.262 -32.254 6.255 1.00 22.90 H new ATOM 0 HD13 LEU A 113 29.869 -32.473 5.534 1.00 22.90 H new ATOM 0 HD21 LEU A 113 28.568 -29.873 6.246 1.00 21.79 H new ATOM 0 HD22 LEU A 113 27.800 -31.243 6.451 1.00 21.79 H new ATOM 0 HD23 LEU A 113 27.991 -30.253 7.672 1.00 21.79 H new ATOM 937 N ALA A 114 31.550 -32.331 10.587 1.00 13.59 N ANISOU 937 N ALA A 114 1689 1788 1685 -164 -85 134 N ATOM 938 CA ALA A 114 32.489 -31.535 11.336 1.00 12.55 C ANISOU 938 CA ALA A 114 1565 1643 1561 -140 -75 128 C ATOM 939 C ALA A 114 32.586 -32.043 12.762 1.00 13.17 C ANISOU 939 C ALA A 114 1655 1705 1643 -141 -77 132 C ATOM 940 O ALA A 114 31.782 -32.866 13.191 1.00 15.77 O ANISOU 940 O ALA A 114 1987 2037 1970 -159 -84 144 O ATOM 941 CB ALA A 114 32.073 -30.064 11.313 1.00 13.60 C ANISOU 941 CB ALA A 114 1680 1795 1692 -124 -58 143 C ATOM 0 H ALA A 114 30.940 -32.698 11.069 1.00 13.59 H new ATOM 0 HA ALA A 114 33.364 -31.611 10.924 1.00 12.55 H new ATOM 0 HB1 ALA A 114 32.712 -29.539 11.820 1.00 13.60 H new ATOM 0 HB2 ALA A 114 32.051 -29.748 10.396 1.00 13.60 H new ATOM 0 HB3 ALA A 114 31.192 -29.970 11.708 1.00 13.60 H new ATOM 942 N GLN A 115 33.573 -31.533 13.478 1.00 12.17 N ANISOU 942 N GLN A 115 1538 1564 1522 -123 -72 124 N ATOM 943 CA GLN A 115 33.819 -31.860 14.881 1.00 13.70 C ANISOU 943 CA GLN A 115 1744 1745 1717 -123 -75 128 C ATOM 944 C GLN A 115 33.712 -30.589 15.711 1.00 12.85 C ANISOU 944 C GLN A 115 1630 1648 1605 -109 -57 134 C ATOM 945 O GLN A 115 34.209 -29.550 15.308 1.00 14.58 O ANISOU 945 O GLN A 115 1844 1869 1828 -93 -46 126 O ATOM 946 CB GLN A 115 35.260 -32.380 15.101 1.00 16.93 C ANISOU 946 CB GLN A 115 2170 2127 2136 -115 -87 110 C ATOM 947 CG GLN A 115 35.743 -33.437 14.156 1.00 18.81 C ANISOU 947 CG GLN A 115 2414 2348 2383 -121 -101 94 C ATOM 948 CD GLN A 115 37.136 -33.846 14.523 1.00 16.79 C ANISOU 948 CD GLN A 115 2171 2067 2141 -109 -111 79 C ATOM 949 OE1 GLN A 115 37.327 -34.596 15.479 1.00 20.19 O ANISOU 949 OE1 GLN A 115 2614 2481 2576 -112 -124 86 O ATOM 950 NE2 GLN A 115 38.111 -33.383 13.766 1.00 16.35 N ANISOU 950 NE2 GLN A 115 2112 2008 2093 -96 -107 58 N ATOM 0 H GLN A 115 34.138 -30.970 13.156 1.00 12.17 H new ATOM 0 HA GLN A 115 33.172 -32.536 15.136 1.00 13.70 H new ATOM 0 HB2 GLN A 115 35.866 -31.625 15.047 1.00 16.93 H new ATOM 0 HB3 GLN A 115 35.322 -32.729 16.004 1.00 16.93 H new ATOM 0 HG2 GLN A 115 35.152 -34.206 14.188 1.00 18.81 H new ATOM 0 HG3 GLN A 115 35.724 -33.102 13.246 1.00 18.81 H new ATOM 0 HE21 GLN A 115 37.932 -32.860 13.107 1.00 16.35 H new ATOM 0 HE22 GLN A 115 38.926 -33.604 13.931 1.00 16.35 H new ATOM 951 N LEU A 116 33.096 -30.701 16.881 1.00 11.93 N ANISOU 951 N LEU A 116 1515 1537 1481 -116 -53 147 N ATOM 952 CA LEU A 116 32.965 -29.604 17.825 1.00 12.09 C ANISOU 952 CA LEU A 116 1531 1566 1495 -105 -34 149 C ATOM 953 C LEU A 116 33.757 -29.924 19.084 1.00 11.82 C ANISOU 953 C LEU A 116 1515 1520 1456 -106 -41 145 C ATOM 954 O LEU A 116 33.538 -30.962 19.718 1.00 13.40 O ANISOU 954 O LEU A 116 1726 1717 1651 -122 -54 155 O ATOM 955 CB LEU A 116 31.494 -29.344 18.120 1.00 13.72 C ANISOU 955 CB LEU A 116 1721 1796 1695 -112 -20 167 C ATOM 956 CG LEU A 116 31.196 -28.124 19.000 1.00 15.88 C ANISOU 956 CG LEU A 116 1987 2081 1965 -100 4 167 C ATOM 957 CD1 LEU A 116 29.810 -27.589 18.693 1.00 19.39 C ANISOU 957 CD1 LEU A 116 2406 2548 2411 -98 20 182 C ATOM 958 CD2 LEU A 116 31.346 -28.431 20.476 1.00 16.92 C ANISOU 958 CD2 LEU A 116 2133 2213 2084 -109 6 168 C ATOM 0 H LEU A 116 32.735 -31.433 17.153 1.00 11.93 H new ATOM 0 HA LEU A 116 33.329 -28.790 17.444 1.00 12.09 H new ATOM 0 HB2 LEU A 116 31.027 -29.236 17.277 1.00 13.72 H new ATOM 0 HB3 LEU A 116 31.124 -30.130 18.550 1.00 13.72 H new ATOM 0 HG LEU A 116 31.852 -27.441 18.791 1.00 15.88 H new ATOM 0 HD11 LEU A 116 29.629 -26.818 19.253 1.00 19.39 H new ATOM 0 HD12 LEU A 116 29.763 -27.328 17.760 1.00 19.39 H new ATOM 0 HD13 LEU A 116 29.151 -28.278 18.869 1.00 19.39 H new ATOM 0 HD21 LEU A 116 31.149 -27.635 20.994 1.00 16.92 H new ATOM 0 HD22 LEU A 116 30.730 -29.138 20.724 1.00 16.92 H new ATOM 0 HD23 LEU A 116 32.255 -28.717 20.656 1.00 16.92 H new ATOM 959 N VAL A 117 34.677 -29.027 19.414 1.00 11.54 N ANISOU 959 N VAL A 117 1483 1479 1423 -91 -33 131 N ATOM 960 CA AVAL A 117 35.583 -29.139 20.572 0.60 11.09 C ANISOU 960 CA AVAL A 117 1441 1413 1359 -91 -40 125 C ATOM 961 CA BVAL A 117 35.513 -29.181 20.611 0.40 11.28 C ANISOU 961 CA BVAL A 117 1465 1438 1382 -92 -40 126 C ATOM 962 C VAL A 117 35.377 -27.934 21.474 1.00 11.41 C ANISOU 962 C VAL A 117 1479 1467 1390 -86 -18 121 C ATOM 963 O VAL A 117 35.384 -26.826 20.986 1.00 13.11 O ANISOU 963 O VAL A 117 1685 1685 1613 -72 0 112 O ATOM 964 CB AVAL A 117 37.053 -29.151 20.096 0.60 12.60 C ANISOU 964 CB AVAL A 117 1638 1586 1562 -79 -53 107 C ATOM 965 CB BVAL A 117 36.994 -29.530 20.280 0.40 12.11 C ANISOU 965 CB BVAL A 117 1579 1522 1498 -84 -58 111 C ATOM 966 CG1AVAL A 117 38.012 -29.330 21.257 0.60 13.29 C ANISOU 966 CG1AVAL A 117 1739 1667 1643 -80 -64 103 C ATOM 967 CG1BVAL A 117 37.635 -28.470 19.399 0.40 12.18 C ANISOU 967 CG1BVAL A 117 1580 1530 1518 -68 -46 94 C ATOM 968 CG2AVAL A 117 37.243 -30.241 19.065 0.60 12.55 C ANISOU 968 CG2AVAL A 117 1633 1567 1568 -83 -70 106 C ATOM 969 CG2BVAL A 117 37.797 -29.732 21.557 0.40 13.21 C ANISOU 969 CG2BVAL A 117 1732 1657 1629 -86 -69 110 C ATOM 0 H AVAL A 117 34.802 -28.308 18.959 0.60 11.54 H new ATOM 0 H BVAL A 117 34.838 -28.316 18.958 0.40 11.54 H new ATOM 0 HA AVAL A 117 35.391 -29.961 21.049 0.60 11.28 H new ATOM 0 HA BVAL A 117 35.193 -29.946 21.115 0.40 11.28 H new ATOM 0 HB AVAL A 117 37.253 -28.292 19.691 0.60 12.11 H new ATOM 0 HB BVAL A 117 36.996 -30.362 19.782 0.40 12.11 H new ATOM 0 HG11AVAL A 117 38.924 -29.333 20.926 0.60 12.18 H new ATOM 0 HG11BVAL A 117 38.554 -28.717 19.212 0.40 12.18 H new ATOM 0 HG12AVAL A 117 37.899 -28.600 21.886 0.60 12.18 H new ATOM 0 HG12BVAL A 117 37.143 -28.401 18.566 0.40 12.18 H new ATOM 0 HG13AVAL A 117 37.827 -30.171 21.703 0.60 12.18 H new ATOM 0 HG13BVAL A 117 37.617 -27.615 19.856 0.40 12.18 H new ATOM 0 HG21AVAL A 117 38.166 -30.247 18.767 0.60 13.21 H new ATOM 0 HG21BVAL A 117 38.715 -29.948 21.331 0.40 13.21 H new ATOM 0 HG22AVAL A 117 37.025 -31.100 19.458 0.60 13.21 H new ATOM 0 HG22BVAL A 117 37.777 -28.918 22.084 0.40 13.21 H new ATOM 0 HG23AVAL A 117 36.660 -30.075 18.307 0.60 13.21 H new ATOM 0 HG23BVAL A 117 37.411 -30.459 22.071 0.40 13.21 H new ATOM 970 N ILE A 118 35.195 -28.158 22.770 1.00 11.66 N ANISOU 970 N ILE A 118 1520 1507 1405 -97 -17 127 N ATOM 971 CA ILE A 118 34.992 -27.093 23.736 1.00 12.22 C ANISOU 971 CA ILE A 118 1590 1591 1464 -95 6 120 C ATOM 972 C ILE A 118 36.291 -26.844 24.482 1.00 11.77 C ANISOU 972 C ILE A 118 1546 1526 1400 -94 -3 105 C ATOM 973 O ILE A 118 36.866 -27.760 25.075 1.00 12.62 O ANISOU 973 O ILE A 118 1667 1630 1500 -104 -25 112 O ATOM 974 CB ILE A 118 33.866 -27.437 24.717 1.00 13.12 C ANISOU 974 CB ILE A 118 1702 1723 1559 -112 15 135 C ATOM 975 CG1 ILE A 118 32.568 -27.690 23.950 1.00 14.48 C ANISOU 975 CG1 ILE A 118 1857 1905 1738 -115 22 150 C ATOM 976 CG2 ILE A 118 33.706 -26.316 25.741 1.00 14.03 C ANISOU 976 CG2 ILE A 118 1817 1852 1660 -111 41 122 C ATOM 977 CD1 ILE A 118 31.515 -28.394 24.775 1.00 16.20 C ANISOU 977 CD1 ILE A 118 2075 2141 1939 -137 25 168 C ATOM 0 H ILE A 118 35.186 -28.945 23.116 1.00 11.66 H new ATOM 0 HA ILE A 118 34.728 -26.288 23.263 1.00 12.22 H new ATOM 0 HB ILE A 118 34.090 -28.248 25.199 1.00 13.12 H new ATOM 0 HG12 ILE A 118 32.213 -26.843 23.639 1.00 14.48 H new ATOM 0 HG13 ILE A 118 32.763 -28.222 23.163 1.00 14.48 H new ATOM 0 HG21 ILE A 118 32.992 -26.541 26.358 1.00 14.03 H new ATOM 0 HG22 ILE A 118 34.535 -26.206 26.233 1.00 14.03 H new ATOM 0 HG23 ILE A 118 33.489 -25.488 25.284 1.00 14.03 H new ATOM 0 HD11 ILE A 118 30.718 -28.527 24.238 1.00 16.20 H new ATOM 0 HD12 ILE A 118 31.854 -29.254 25.067 1.00 16.20 H new ATOM 0 HD13 ILE A 118 31.296 -27.853 25.550 1.00 16.20 H new ATOM 978 N VAL A 119 36.752 -25.599 24.421 1.00 11.98 N ANISOU 978 N VAL A 119 1569 1551 1432 -81 15 86 N ATOM 979 CA VAL A 119 37.998 -25.186 25.037 1.00 12.53 C ANISOU 979 CA VAL A 119 1649 1615 1496 -80 9 69 C ATOM 980 C VAL A 119 37.768 -24.006 25.963 1.00 12.61 C ANISOU 980 C VAL A 119 1660 1636 1493 -82 36 54 C ATOM 981 O VAL A 119 36.895 -23.177 25.715 1.00 13.23 O ANISOU 981 O VAL A 119 1729 1719 1579 -75 62 52 O ATOM 982 CB VAL A 119 39.071 -24.804 23.991 1.00 13.99 C ANISOU 982 CB VAL A 119 1830 1784 1702 -66 3 55 C ATOM 983 CG1 VAL A 119 39.498 -26.021 23.173 1.00 14.07 C ANISOU 983 CG1 VAL A 119 1840 1782 1724 -65 -24 64 C ATOM 984 CG2 VAL A 119 38.601 -23.671 23.092 1.00 14.77 C ANISOU 984 CG2 VAL A 119 1916 1879 1815 -53 28 48 C ATOM 0 H VAL A 119 36.340 -24.964 24.013 1.00 11.98 H new ATOM 0 HA VAL A 119 38.324 -25.947 25.542 1.00 12.53 H new ATOM 0 HB VAL A 119 39.848 -24.483 24.475 1.00 13.99 H new ATOM 0 HG11 VAL A 119 40.170 -25.756 22.525 1.00 14.07 H new ATOM 0 HG12 VAL A 119 39.867 -26.695 23.764 1.00 14.07 H new ATOM 0 HG13 VAL A 119 38.728 -26.385 22.709 1.00 14.07 H new ATOM 0 HG21 VAL A 119 39.296 -23.458 22.450 1.00 14.77 H new ATOM 0 HG22 VAL A 119 37.798 -23.944 22.620 1.00 14.77 H new ATOM 0 HG23 VAL A 119 38.408 -22.888 23.631 1.00 14.77 H new ATOM 985 N PRO A 120 38.568 -23.902 27.029 1.00 12.91 N ANISOU 985 N PRO A 120 1710 1680 1514 -92 29 44 N ATOM 986 CA PRO A 120 38.562 -22.645 27.786 1.00 13.23 C ANISOU 986 CA PRO A 120 1753 1728 1545 -94 56 22 C ATOM 987 C PRO A 120 39.158 -21.516 26.968 1.00 12.94 C ANISOU 987 C PRO A 120 1712 1675 1531 -78 69 3 C ATOM 988 O PRO A 120 40.064 -21.742 26.175 1.00 12.93 O ANISOU 988 O PRO A 120 1708 1661 1544 -71 51 1 O ATOM 989 CB PRO A 120 39.454 -22.940 28.994 1.00 14.49 C ANISOU 989 CB PRO A 120 1928 1899 1680 -111 38 17 C ATOM 990 CG PRO A 120 40.035 -24.281 28.775 1.00 18.64 C ANISOU 990 CG PRO A 120 2457 2419 2208 -114 2 36 C ATOM 991 CD PRO A 120 39.587 -24.856 27.490 1.00 14.84 C ANISOU 991 CD PRO A 120 1966 1923 1750 -101 -4 50 C ATOM 0 HA PRO A 120 37.665 -22.366 28.029 1.00 13.23 H new ATOM 0 HB2 PRO A 120 40.152 -22.272 29.078 1.00 14.49 H new ATOM 0 HB3 PRO A 120 38.939 -22.918 29.816 1.00 14.49 H new ATOM 0 HG2 PRO A 120 41.003 -24.222 28.785 1.00 18.64 H new ATOM 0 HG3 PRO A 120 39.779 -24.870 29.502 1.00 18.64 H new ATOM 0 HD2 PRO A 120 40.318 -24.932 26.857 1.00 14.84 H new ATOM 0 HD3 PRO A 120 39.218 -25.746 27.605 1.00 14.84 H new ATOM 992 N VAL A 121 38.633 -20.315 27.168 1.00 13.49 N ANISOU 992 N VAL A 121 1778 1744 1604 -73 101 -12 N ATOM 993 CA VAL A 121 39.177 -19.120 26.557 1.00 13.31 C ANISOU 993 CA VAL A 121 1752 1703 1601 -61 117 -31 C ATOM 994 C VAL A 121 39.308 -18.023 27.599 1.00 14.12 C ANISOU 994 C VAL A 121 1864 1809 1693 -68 142 -57 C ATOM 995 O VAL A 121 38.657 -18.055 28.644 1.00 16.09 O ANISOU 995 O VAL A 121 2118 2075 1921 -79 154 -61 O ATOM 996 CB VAL A 121 38.332 -18.615 25.369 1.00 13.51 C ANISOU 996 CB VAL A 121 1764 1718 1653 -42 134 -20 C ATOM 997 CG1 VAL A 121 38.282 -19.666 24.269 1.00 13.15 C ANISOU 997 CG1 VAL A 121 1710 1671 1616 -37 109 2 C ATOM 998 CG2 VAL A 121 36.924 -18.224 25.827 1.00 15.14 C ANISOU 998 CG2 VAL A 121 1962 1933 1857 -38 161 -16 C ATOM 0 H VAL A 121 37.946 -20.173 27.666 1.00 13.49 H new ATOM 0 HA VAL A 121 40.050 -19.354 26.205 1.00 13.31 H new ATOM 0 HB VAL A 121 38.754 -17.820 25.008 1.00 13.51 H new ATOM 0 HG11 VAL A 121 37.748 -19.336 23.530 1.00 13.15 H new ATOM 0 HG12 VAL A 121 39.182 -19.854 23.959 1.00 13.15 H new ATOM 0 HG13 VAL A 121 37.884 -20.480 24.616 1.00 13.15 H new ATOM 0 HG21 VAL A 121 36.411 -17.910 25.066 1.00 15.14 H new ATOM 0 HG22 VAL A 121 36.484 -18.996 26.216 1.00 15.14 H new ATOM 0 HG23 VAL A 121 36.983 -17.518 26.489 1.00 15.14 H new ATOM 999 N VAL A 122 40.150 -17.047 27.281 1.00 14.36 N ANISOU 999 N VAL A 122 1896 1822 1737 -64 150 -77 N ATOM 1000 CA VAL A 122 40.457 -15.899 28.135 1.00 16.44 C ANISOU 1000 CA VAL A 122 2170 2083 1995 -72 173 -108 C ATOM 1001 C VAL A 122 40.068 -14.628 27.386 1.00 15.78 C ANISOU 1001 C VAL A 122 2079 1974 1941 -54 204 -116 C ATOM 1002 O VAL A 122 40.400 -14.481 26.203 1.00 16.28 O ANISOU 1002 O VAL A 122 2136 2022 2028 -42 197 -106 O ATOM 1003 CB VAL A 122 41.988 -15.851 28.424 1.00 19.32 C ANISOU 1003 CB VAL A 122 2542 2447 2350 -86 153 -125 C ATOM 1004 CG1 VAL A 122 42.350 -14.624 29.249 1.00 23.23 C ANISOU 1004 CG1 VAL A 122 3048 2939 2839 -98 177 -159 C ATOM 1005 CG2 VAL A 122 42.447 -17.129 29.123 1.00 23.05 C ANISOU 1005 CG2 VAL A 122 3020 2942 2796 -101 119 -112 C ATOM 0 H VAL A 122 40.576 -17.032 26.534 1.00 14.36 H new ATOM 0 HA VAL A 122 39.971 -15.974 28.971 1.00 16.44 H new ATOM 0 HB VAL A 122 42.451 -15.787 27.574 1.00 19.32 H new ATOM 0 HG11 VAL A 122 43.306 -14.616 29.416 1.00 23.23 H new ATOM 0 HG12 VAL A 122 42.100 -13.822 28.764 1.00 23.23 H new ATOM 0 HG13 VAL A 122 41.875 -14.651 30.094 1.00 23.23 H new ATOM 0 HG21 VAL A 122 43.401 -17.080 29.294 1.00 23.05 H new ATOM 0 HG22 VAL A 122 41.973 -17.226 29.964 1.00 23.05 H new ATOM 0 HG23 VAL A 122 42.259 -17.893 28.556 1.00 23.05 H new ATOM 1006 N GLN A 123 39.410 -13.701 28.074 1.00 17.89 N ANISOU 1006 N GLN A 123 2350 2239 2209 -53 237 -135 N ATOM 1007 CA GLN A 123 39.196 -12.366 27.541 1.00 19.19 C ANISOU 1007 CA GLN A 123 2512 2375 2404 -38 267 -146 C ATOM 1008 C GLN A 123 40.290 -11.467 28.087 1.00 19.43 C ANISOU 1008 C GLN A 123 2557 2394 2432 -52 275 -180 C ATOM 1009 O GLN A 123 40.443 -11.314 29.286 1.00 25.31 O ANISOU 1009 O GLN A 123 3314 3152 3152 -71 284 -204 O ATOM 1010 CB GLN A 123 37.806 -11.833 27.881 1.00 23.38 C ANISOU 1010 CB GLN A 123 3035 2905 2944 -25 301 -148 C ATOM 1011 CG GLN A 123 36.708 -12.558 27.119 1.00 25.13 C ANISOU 1011 CG GLN A 123 3237 3135 3174 -9 294 -113 C ATOM 1012 CD GLN A 123 35.306 -12.255 27.601 1.00 31.39 C ANISOU 1012 CD GLN A 123 4019 3936 3972 2 325 -113 C ATOM 1013 OE1 GLN A 123 35.027 -12.229 28.821 1.00 34.68 O ANISOU 1013 OE1 GLN A 123 4443 4368 4366 -12 341 -133 O ATOM 1014 NE2 GLN A 123 34.399 -12.024 26.645 1.00 35.10 N ANISOU 1014 NE2 GLN A 123 4470 4397 4471 25 333 -89 N ATOM 0 H GLN A 123 39.078 -13.829 28.857 1.00 17.89 H new ATOM 0 HA GLN A 123 39.239 -12.389 26.572 1.00 19.19 H new ATOM 0 HB2 GLN A 123 37.651 -11.925 28.834 1.00 23.38 H new ATOM 0 HB3 GLN A 123 37.767 -10.885 27.678 1.00 23.38 H new ATOM 0 HG2 GLN A 123 36.773 -12.324 26.180 1.00 25.13 H new ATOM 0 HG3 GLN A 123 36.861 -13.514 27.184 1.00 25.13 H new ATOM 0 HE21 GLN A 123 34.630 -12.051 25.817 1.00 35.10 H new ATOM 0 HE22 GLN A 123 33.585 -11.848 26.858 1.00 35.10 H new ATOM 1015 N ALA A 124 41.067 -10.911 27.184 1.00 18.35 N ANISOU 1015 N ALA A 124 2420 2235 2318 -47 272 -181 N ATOM 1016 CA ALA A 124 42.144 -10.006 27.551 1.00 20.04 C ANISOU 1016 CA ALA A 124 2646 2435 2532 -62 280 -212 C ATOM 1017 C ALA A 124 41.623 -8.634 27.892 1.00 18.30 C ANISOU 1017 C ALA A 124 2433 2190 2332 -56 321 -236 C ATOM 1018 O ALA A 124 40.642 -8.180 27.322 1.00 19.84 O ANISOU 1018 O ALA A 124 2618 2367 2552 -33 342 -222 O ATOM 1019 CB ALA A 124 43.114 -9.875 26.406 1.00 24.41 C ANISOU 1019 CB ALA A 124 3195 2973 3105 -59 264 -203 C ATOM 0 H ALA A 124 40.989 -11.044 26.338 1.00 18.35 H new ATOM 0 HA ALA A 124 42.583 -10.378 28.331 1.00 20.04 H new ATOM 0 HB1 ALA A 124 43.830 -9.270 26.656 1.00 24.41 H new ATOM 0 HB2 ALA A 124 43.485 -10.746 26.195 1.00 24.41 H new ATOM 0 HB3 ALA A 124 42.652 -9.524 25.629 1.00 24.41 H new ATOM 1020 N THR A 125 42.330 -7.984 28.801 1.00 18.65 N ANISOU 1020 N THR A 125 2492 2232 2363 -78 331 -272 N ATOM 1021 CA THR A 125 42.189 -6.563 29.040 1.00 20.30 C ANISOU 1021 CA THR A 125 2711 2410 2594 -77 369 -302 C ATOM 1022 C THR A 125 43.478 -5.938 28.549 1.00 19.03 C ANISOU 1022 C THR A 125 2556 2229 2446 -89 362 -314 C ATOM 1023 O THR A 125 44.547 -6.168 29.127 1.00 19.51 O ANISOU 1023 O THR A 125 2625 2307 2482 -115 343 -332 O ATOM 1024 CB THR A 125 42.008 -6.257 30.533 1.00 23.04 C ANISOU 1024 CB THR A 125 3071 2770 2913 -97 390 -339 C ATOM 1025 OG1 THR A 125 40.934 -7.045 31.063 1.00 28.17 O ANISOU 1025 OG1 THR A 125 3713 3447 3542 -91 392 -326 O ATOM 1026 CG2 THR A 125 41.732 -4.759 30.754 1.00 25.04 C ANISOU 1026 CG2 THR A 125 3334 2986 3193 -93 434 -372 C ATOM 0 H THR A 125 42.915 -8.364 29.304 1.00 18.65 H new ATOM 0 HA THR A 125 41.406 -6.215 28.585 1.00 20.30 H new ATOM 0 HB THR A 125 42.828 -6.484 30.998 1.00 23.04 H new ATOM 0 HG1 THR A 125 40.839 -6.876 31.880 1.00 28.17 H new ATOM 0 HG21 THR A 125 41.621 -4.587 31.702 1.00 25.04 H new ATOM 0 HG22 THR A 125 42.478 -4.239 30.417 1.00 25.04 H new ATOM 0 HG23 THR A 125 40.923 -4.506 30.283 1.00 25.04 H new ATOM 1027 N PHE A 126 43.393 -5.169 27.468 1.00 18.33 N ANISOU 1027 N PHE A 126 2463 2105 2395 -71 375 -301 N ATOM 1028 CA PHE A 126 44.590 -4.569 26.903 1.00 18.43 C ANISOU 1028 CA PHE A 126 2481 2098 2421 -84 369 -310 C ATOM 1029 C PHE A 126 45.192 -3.542 27.834 1.00 19.39 C ANISOU 1029 C PHE A 126 2621 2205 2540 -108 391 -355 C ATOM 1030 O PHE A 126 44.482 -2.819 28.526 1.00 20.80 O ANISOU 1030 O PHE A 126 2809 2369 2726 -105 423 -378 O ATOM 1031 CB PHE A 126 44.330 -3.902 25.552 1.00 20.15 C ANISOU 1031 CB PHE A 126 2694 2282 2681 -62 380 -284 C ATOM 1032 CG PHE A 126 44.185 -4.854 24.388 1.00 20.41 C ANISOU 1032 CG PHE A 126 2710 2330 2715 -46 353 -242 C ATOM 1033 CD1 PHE A 126 45.114 -5.867 24.140 1.00 19.61 C ANISOU 1033 CD1 PHE A 126 2603 2257 2593 -59 319 -234 C ATOM 1034 CD2 PHE A 126 43.147 -4.681 23.480 1.00 21.82 C ANISOU 1034 CD2 PHE A 126 2878 2494 2919 -18 363 -210 C ATOM 1035 CE1 PHE A 126 44.976 -6.704 23.045 1.00 22.03 C ANISOU 1035 CE1 PHE A 126 2895 2575 2901 -46 297 -200 C ATOM 1036 CE2 PHE A 126 43.014 -5.513 22.386 1.00 25.71 C ANISOU 1036 CE2 PHE A 126 3356 3001 3411 -7 339 -174 C ATOM 1037 CZ PHE A 126 43.928 -6.525 22.171 1.00 24.07 C ANISOU 1037 CZ PHE A 126 3145 2820 3181 -21 307 -171 C ATOM 0 H PHE A 126 42.662 -4.986 27.054 1.00 18.33 H new ATOM 0 HA PHE A 126 45.212 -5.303 26.776 1.00 18.43 H new ATOM 0 HB2 PHE A 126 43.522 -3.369 25.619 1.00 20.15 H new ATOM 0 HB3 PHE A 126 45.058 -3.290 25.363 1.00 20.15 H new ATOM 0 HD1 PHE A 126 45.834 -5.981 24.717 1.00 19.61 H new ATOM 0 HD2 PHE A 126 42.533 -3.995 23.611 1.00 21.82 H new ATOM 0 HE1 PHE A 126 45.591 -7.386 22.900 1.00 22.03 H new ATOM 0 HE2 PHE A 126 42.308 -5.391 21.793 1.00 25.71 H new ATOM 0 HZ PHE A 126 43.836 -7.086 21.435 1.00 24.07 H new ATOM 1038 N ASN A 127 46.513 -3.483 27.778 1.00 19.41 N ANISOU 1038 N ASN A 127 2628 2213 2535 -132 373 -367 N ATOM 1039 CA ASN A 127 47.309 -2.485 28.431 1.00 20.54 C ANISOU 1039 CA ASN A 127 2785 2340 2677 -160 389 -409 C ATOM 1040 C ASN A 127 48.286 -1.946 27.401 1.00 20.32 C ANISOU 1040 C ASN A 127 2756 2289 2674 -166 384 -402 C ATOM 1041 O ASN A 127 49.227 -2.649 27.018 1.00 20.31 O ANISOU 1041 O ASN A 127 2745 2312 2661 -177 352 -390 O ATOM 1042 CB ASN A 127 48.047 -3.160 29.571 1.00 22.44 C ANISOU 1042 CB ASN A 127 3030 2623 2874 -190 365 -431 C ATOM 1043 CG ASN A 127 48.922 -2.209 30.330 1.00 24.35 C ANISOU 1043 CG ASN A 127 3287 2856 3109 -224 378 -476 C ATOM 1044 OD1 ASN A 127 48.438 -1.205 30.849 1.00 29.64 O ANISOU 1044 OD1 ASN A 127 3972 3500 3790 -227 414 -506 O ATOM 1045 ND2 ASN A 127 50.210 -2.511 30.426 1.00 23.42 N ANISOU 1045 ND2 ASN A 127 3165 2761 2974 -250 349 -483 N ATOM 0 H ASN A 127 46.982 -4.053 27.337 1.00 19.41 H new ATOM 0 HA ASN A 127 46.776 -1.756 28.785 1.00 20.54 H new ATOM 0 HB2 ASN A 127 47.404 -3.558 30.178 1.00 22.44 H new ATOM 0 HB3 ASN A 127 48.589 -3.883 29.218 1.00 22.44 H new ATOM 0 HD21 ASN A 127 50.741 -1.996 30.864 1.00 23.42 H new ATOM 0 HD22 ASN A 127 50.514 -3.222 30.050 1.00 23.42 H new ATOM 1046 N ILE A 128 48.040 -0.727 26.917 1.00 21.09 N ANISOU 1046 N ILE A 128 2863 2341 2810 -159 415 -407 N ATOM 1047 CA ILE A 128 48.873 -0.151 25.869 1.00 21.81 C ANISOU 1047 CA ILE A 128 2952 2408 2925 -165 413 -396 C ATOM 1048 C ILE A 128 50.213 0.261 26.494 1.00 22.48 C ANISOU 1048 C ILE A 128 3047 2499 2997 -205 408 -434 C ATOM 1049 O ILE A 128 50.250 0.970 27.520 1.00 25.51 O ANISOU 1049 O ILE A 128 3446 2872 3374 -224 428 -474 O ATOM 1050 CB ILE A 128 48.193 1.041 25.145 1.00 25.07 C ANISOU 1050 CB ILE A 128 3373 2767 3384 -145 446 -385 C ATOM 1051 CG1 ILE A 128 47.151 0.568 24.119 1.00 29.43 C ANISOU 1051 CG1 ILE A 128 3911 3318 3953 -107 442 -337 C ATOM 1052 CG2 ILE A 128 49.217 1.812 24.330 1.00 25.93 C ANISOU 1052 CG2 ILE A 128 3486 2849 3515 -162 448 -384 C ATOM 1053 CD1 ILE A 128 45.933 -0.126 24.650 1.00 30.45 C ANISOU 1053 CD1 ILE A 128 4033 3468 4069 -85 443 -329 C ATOM 0 H ILE A 128 47.397 -0.221 27.183 1.00 21.09 H new ATOM 0 HA ILE A 128 49.016 -0.820 25.181 1.00 21.81 H new ATOM 0 HB ILE A 128 47.783 1.578 25.841 1.00 25.07 H new ATOM 0 HG12 ILE A 128 46.859 1.340 23.609 1.00 29.43 H new ATOM 0 HG13 ILE A 128 47.592 -0.032 23.497 1.00 29.43 H new ATOM 0 HG21 ILE A 128 48.782 2.554 23.882 1.00 25.93 H new ATOM 0 HG22 ILE A 128 49.910 2.151 24.918 1.00 25.93 H new ATOM 0 HG23 ILE A 128 49.614 1.224 23.669 1.00 25.93 H new ATOM 0 HD11 ILE A 128 45.355 -0.375 23.912 1.00 30.45 H new ATOM 0 HD12 ILE A 128 46.200 -0.923 25.134 1.00 30.45 H new ATOM 0 HD13 ILE A 128 45.455 0.470 25.248 1.00 30.45 H new ATOM 1054 N VAL A 129 51.299 -0.208 25.884 1.00 23.12 N ANISOU 1054 N VAL A 129 3115 2599 3070 -218 380 -422 N ATOM 1055 CA VAL A 129 52.648 0.088 26.340 1.00 24.40 C ANISOU 1055 CA VAL A 129 3279 2772 3220 -256 370 -453 C ATOM 1056 C VAL A 129 53.467 0.638 25.177 1.00 26.55 C ANISOU 1056 C VAL A 129 3547 3023 3518 -264 372 -440 C ATOM 1057 O VAL A 129 53.182 0.345 24.020 1.00 26.99 O ANISOU 1057 O VAL A 129 3592 3072 3590 -241 367 -403 O ATOM 1058 CB VAL A 129 53.353 -1.159 26.933 1.00 25.71 C ANISOU 1058 CB VAL A 129 3431 2993 3346 -269 331 -455 C ATOM 1059 CG1 VAL A 129 52.590 -1.682 28.145 1.00 26.90 C ANISOU 1059 CG1 VAL A 129 3588 3166 3467 -267 330 -467 C ATOM 1060 CG2 VAL A 129 53.521 -2.266 25.899 1.00 26.04 C ANISOU 1060 CG2 VAL A 129 3451 3055 3388 -249 302 -415 C ATOM 0 H VAL A 129 51.270 -0.712 25.187 1.00 23.12 H new ATOM 0 HA VAL A 129 52.582 0.748 27.048 1.00 24.40 H new ATOM 0 HB VAL A 129 54.239 -0.881 27.212 1.00 25.71 H new ATOM 0 HG11 VAL A 129 53.045 -2.461 28.502 1.00 26.90 H new ATOM 0 HG12 VAL A 129 52.550 -0.991 28.825 1.00 26.90 H new ATOM 0 HG13 VAL A 129 51.690 -1.927 27.880 1.00 26.90 H new ATOM 0 HG21 VAL A 129 53.964 -3.026 26.307 1.00 26.04 H new ATOM 0 HG22 VAL A 129 52.649 -2.538 25.572 1.00 26.04 H new ATOM 0 HG23 VAL A 129 54.056 -1.939 25.159 1.00 26.04 H new ATOM 1061 N GLY A 130 54.485 1.428 25.489 1.00 28.43 N ANISOU 1061 N GLY A 130 3792 3252 3759 -299 378 -472 N ATOM 1062 CA GLY A 130 55.439 1.881 24.474 1.00 31.70 C ANISOU 1062 CA GLY A 130 4199 3652 4193 -313 377 -462 C ATOM 1063 C GLY A 130 56.460 0.811 24.132 1.00 32.00 C ANISOU 1063 C GLY A 130 4212 3736 4209 -322 340 -451 C ATOM 1064 O GLY A 130 56.931 0.732 22.994 1.00 37.85 O ANISOU 1064 O GLY A 130 4941 4476 4964 -319 334 -427 O ATOM 0 H GLY A 130 54.645 1.716 26.283 1.00 28.43 H new ATOM 0 HA2 GLY A 130 54.958 2.136 23.671 1.00 31.70 H new ATOM 0 HA3 GLY A 130 55.898 2.674 24.794 1.00 31.70 H new ATOM 1065 N ASP A 131 56.818 0.001 25.130 1.00 33.32 N ANISOU 1065 N ASP A 131 4372 3945 4343 -332 315 -468 N ATOM 1066 CA ASP A 131 57.786 -1.082 24.970 1.00 34.74 C ANISOU 1066 CA ASP A 131 4526 4169 4504 -338 278 -459 C ATOM 1067 C ASP A 131 57.423 -2.214 25.924 1.00 34.16 C ANISOU 1067 C ASP A 131 4448 4133 4398 -328 253 -458 C ATOM 1068 O ASP A 131 56.930 -1.963 27.022 1.00 35.93 O ANISOU 1068 O ASP A 131 4687 4357 4606 -336 262 -480 O ATOM 1069 CB ASP A 131 59.207 -0.587 25.261 1.00 39.69 C ANISOU 1069 CB ASP A 131 5146 4808 5127 -379 271 -488 C ATOM 0 H ASP A 131 56.501 0.067 25.927 1.00 33.32 H new ATOM 0 HA ASP A 131 57.760 -1.400 24.054 1.00 34.74 H new ATOM 1070 N PHE A 132 57.664 -3.453 25.506 1.00 31.84 N ANISOU 1070 N PHE A 132 4133 3871 4095 -312 223 -433 N ATOM 1071 CA PHE A 132 57.317 -4.617 26.322 1.00 30.05 C ANISOU 1071 CA PHE A 132 3901 3677 3840 -301 197 -426 C ATOM 1072 C PHE A 132 58.287 -4.845 27.485 1.00 35.57 C ANISOU 1072 C PHE A 132 4594 4411 4510 -331 172 -451 C ATOM 1073 O PHE A 132 59.377 -4.270 27.496 1.00 43.66 O ANISOU 1073 O PHE A 132 5611 5439 5538 -359 171 -472 O ATOM 1074 CB PHE A 132 57.259 -5.871 25.444 1.00 27.89 C ANISOU 1074 CB PHE A 132 3608 3420 3569 -273 173 -391 C ATOM 1075 CG PHE A 132 56.130 -5.872 24.450 1.00 25.30 C ANISOU 1075 CG PHE A 132 3285 3066 3260 -243 191 -363 C ATOM 1076 CD1 PHE A 132 54.827 -5.605 24.844 1.00 24.52 C ANISOU 1076 CD1 PHE A 132 3205 2951 3162 -229 211 -359 C ATOM 1077 CD2 PHE A 132 56.367 -6.170 23.121 1.00 26.34 C ANISOU 1077 CD2 PHE A 132 3403 3194 3410 -230 187 -340 C ATOM 1078 CE1 PHE A 132 53.792 -5.634 23.925 1.00 22.76 C ANISOU 1078 CE1 PHE A 132 2983 2708 2957 -201 225 -331 C ATOM 1079 CE2 PHE A 132 55.333 -6.209 22.201 1.00 26.27 C ANISOU 1079 CE2 PHE A 132 3398 3166 3415 -204 201 -313 C ATOM 1080 CZ PHE A 132 54.047 -5.926 22.605 1.00 22.95 C ANISOU 1080 CZ PHE A 132 2995 2730 2997 -189 219 -307 C ATOM 0 H PHE A 132 58.029 -3.643 24.751 1.00 31.84 H new ATOM 0 HA PHE A 132 56.446 -4.437 26.710 1.00 30.05 H new ATOM 0 HB2 PHE A 132 58.098 -5.959 24.966 1.00 27.89 H new ATOM 0 HB3 PHE A 132 57.175 -6.651 26.015 1.00 27.89 H new ATOM 0 HD1 PHE A 132 54.647 -5.405 25.734 1.00 24.52 H new ATOM 0 HD2 PHE A 132 57.236 -6.347 22.840 1.00 26.34 H new ATOM 0 HE1 PHE A 132 52.922 -5.456 24.201 1.00 22.76 H new ATOM 0 HE2 PHE A 132 55.506 -6.426 21.313 1.00 26.27 H new ATOM 0 HZ PHE A 132 53.352 -5.932 21.987 1.00 22.95 H new TER 1081 PHE A 132 HETATM 1082 O1 PG4 A 201 28.552 -15.560 8.869 1.00 45.19 O ANISOU 1082 O1 PG4 A 201 5305 5763 6102 -83 -40 -5 O HETATM 1083 C1 PG4 A 201 27.721 -16.378 8.036 1.00 38.72 C ANISOU 1083 C1 PG4 A 201 5517 4195 4998 731 -192 523 C HETATM 1084 C2 PG4 A 201 28.501 -17.592 7.551 1.00 32.25 C ANISOU 1084 C2 PG4 A 201 4070 4631 3549 341 291 582 C HETATM 1085 O2 PG4 A 201 28.505 -18.606 8.561 1.00 28.66 O ANISOU 1085 O2 PG4 A 201 3762 3853 3275 805 146 52 O HETATM 1086 C3 PG4 A 201 29.442 -19.622 8.275 1.00 25.30 C ANISOU 1086 C3 PG4 A 201 3233 3491 2889 358 -15 17 C HETATM 1087 C4 PG4 A 201 29.482 -20.581 9.453 1.00 24.13 C ANISOU 1087 C4 PG4 A 201 3171 3000 2998 132 252 9 C HETATM 1088 O3 PG4 A 201 29.808 -19.833 10.625 1.00 23.96 O ANISOU 1088 O3 PG4 A 201 2964 3080 3058 260 125 103 O HETATM 1089 C5 PG4 A 201 29.652 -20.562 11.842 1.00 23.25 C ANISOU 1089 C5 PG4 A 201 2603 3278 2954 136 291 23 C HETATM 1090 C6 PG4 A 201 31.005 -20.969 12.433 1.00 21.31 C ANISOU 1090 C6 PG4 A 201 2828 2847 2419 175 38 -197 C HETATM 1091 O4 PG4 A 201 31.664 -21.906 11.578 1.00 18.80 O ANISOU 1091 O4 PG4 A 201 2327 2577 2239 -108 -29 -120 O HETATM 1092 C7 PG4 A 201 31.141 -23.232 11.592 1.00 17.53 C ANISOU 1092 C7 PG4 A 201 2223 2429 2006 65 -160 185 C HETATM 1093 C8 PG4 A 201 31.989 -24.073 10.624 1.00 17.46 C ANISOU 1093 C8 PG4 A 201 2392 2268 1975 -85 -155 186 C HETATM 1094 O5 PG4 A 201 31.785 -23.632 9.271 1.00 14.87 O ANISOU 1094 O5 PG4 A 201 1908 1977 1765 -261 -101 109 O HETATM 0 HO5 PG4 A 201 32.428 -23.146 9.034 1.00 14.87 H new HETATM 0 HO1 PG4 A 201 28.673 -15.943 9.607 1.00 45.19 H new HETATM 0 H82 PG4 A 201 32.928 -23.998 10.857 1.00 17.46 H new HETATM 0 H81 PG4 A 201 31.750 -25.010 10.705 1.00 17.46 H new HETATM 0 H72 PG4 A 201 31.176 -23.603 12.487 1.00 17.53 H new HETATM 0 H71 PG4 A 201 30.210 -23.234 11.320 1.00 17.53 H new HETATM 0 H62 PG4 A 201 31.562 -20.184 12.551 1.00 21.31 H new HETATM 0 H61 PG4 A 201 30.876 -21.360 13.311 1.00 21.31 H new HETATM 0 H52 PG4 A 201 29.167 -20.021 12.484 1.00 23.25 H new HETATM 0 H51 PG4 A 201 29.118 -21.355 11.679 1.00 23.25 H new HETATM 0 H42 PG4 A 201 28.624 -21.021 9.560 1.00 24.13 H new HETATM 0 H41 PG4 A 201 30.141 -21.276 9.301 1.00 24.13 H new HETATM 0 H32 PG4 A 201 29.193 -20.093 7.464 1.00 25.30 H new HETATM 0 H31 PG4 A 201 30.320 -19.239 8.122 1.00 25.30 H new HETATM 0 H22 PG4 A 201 28.103 -17.937 6.737 1.00 32.25 H new HETATM 0 H21 PG4 A 201 29.411 -17.336 7.335 1.00 32.25 H new HETATM 0 H12 PG4 A 201 26.937 -16.665 8.531 1.00 38.72 H new HETATM 0 H11 PG4 A 201 27.405 -15.863 7.277 1.00 38.72 H new HETATM 1095 O HOH A 301 35.038 -32.099 7.337 1.00 15.58 O ANISOU 1095 O HOH A 301 1985 2236 1698 -279 -159 -62 O HETATM 1096 O HOH A 302 24.454 -22.435 18.930 1.00 17.76 O ANISOU 1096 O HOH A 302 2075 2379 2294 -347 380 528 O HETATM 1097 O HOH A 303 27.020 -20.941 22.654 1.00 17.79 O ANISOU 1097 O HOH A 303 2228 2179 2352 -204 531 84 O HETATM 1098 O HOH A 304 35.797 -18.695 11.182 1.00 13.88 O ANISOU 1098 O HOH A 304 1726 1655 1891 -65 -17 -82 O HETATM 1099 O HOH A 305 33.651 -38.347 19.461 1.00 20.23 O ANISOU 1099 O HOH A 305 2970 1901 2816 -333 39 52 O HETATM 1100 O HOH A 306 41.031 -34.286 13.337 1.00 17.39 O ANISOU 1100 O HOH A 306 2378 2045 2182 -566 -504 -168 O HETATM 1101 O HOH A 307 35.556 -38.322 8.195 1.00 28.09 O ANISOU 1101 O HOH A 307 4810 2732 3127 -881 825 43 O HETATM 1102 O HOH A 308 37.563 -36.677 12.446 1.00 23.03 O ANISOU 1102 O HOH A 308 4107 2349 2294 -440 159 427 O HETATM 1103 O HOH A 309 37.679 -33.144 -3.724 1.00 21.15 O ANISOU 1103 O HOH A 309 3082 3009 1942 -353 -194 -519 O HETATM 1104 O HOH A 310 34.095 -13.580 19.203 1.00 21.69 O ANISOU 1104 O HOH A 310 2775 2995 2471 427 -258 129 O HETATM 1105 O HOH A 311 35.388 -35.260 -2.975 1.00 21.77 O ANISOU 1105 O HOH A 311 2792 3121 2359 -959 -250 -334 O HETATM 1106 O HOH A 312 31.557 -37.993 17.723 1.00 24.83 O ANISOU 1106 O HOH A 312 3450 3151 2832 -531 -16 260 O HETATM 1107 O HOH A 313 39.708 -35.070 -2.486 1.00 27.24 O ANISOU 1107 O HOH A 313 3660 3833 2857 764 200 -209 O HETATM 1108 O HOH A 314 29.834 -17.464 17.580 1.00 26.37 O ANISOU 1108 O HOH A 314 3748 3407 2863 62 -86 799 O HETATM 1109 O HOH A 315 26.445 -21.108 13.076 1.00 25.97 O ANISOU 1109 O HOH A 315 3246 2747 3872 -992 912 40 O HETATM 1110 O HOH A 316 20.316 -39.363 19.146 1.00 28.14 O ANISOU 1110 O HOH A 316 3267 4034 3391 -1347 795 761 O HETATM 1111 O HOH A 317 37.613 -21.096 31.604 1.00 29.35 O ANISOU 1111 O HOH A 317 4462 4239 2449 696 -221 -257 O HETATM 1112 O HOH A 318 24.738 -34.340 15.175 1.00 24.05 O ANISOU 1112 O HOH A 318 3709 3023 2404 -1369 126 -34 O HETATM 1113 O HOH A 319 24.322 -23.199 0.620 1.00 30.95 O ANISOU 1113 O HOH A 319 3551 5412 2794 2137 -925 905 O HETATM 1114 O HOH A 320 24.073 -32.016 13.804 1.00 23.39 O ANISOU 1114 O HOH A 320 4060 2612 2214 -1229 961 124 O HETATM 1115 O HOH A 321 43.231 -28.757 -3.894 1.00 25.37 O ANISOU 1115 O HOH A 321 2915 3982 2741 1141 381 201 O HETATM 1116 O HOH A 322 30.384 -38.674 -3.251 1.00 31.04 O ANISOU 1116 O HOH A 322 4212 2876 4702 450 1131 -108 O HETATM 1117 O HOH A 323 24.422 -24.354 28.847 1.00 23.66 O ANISOU 1117 O HOH A 323 3293 3264 2431 -772 563 296 O HETATM 1118 O HOH A 324 28.615 -40.146 8.805 1.00 27.92 O ANISOU 1118 O HOH A 324 4094 2808 3703 -34 -1041 -351 O HETATM 1119 O HOH A 325 34.615 -35.140 -9.999 1.00 34.74 O ANISOU 1119 O HOH A 325 4823 5960 2416 -941 208 -1078 O HETATM 1120 O HOH A 326 37.293 -38.792 10.339 1.00 24.33 O ANISOU 1120 O HOH A 326 3495 2663 3083 -294 494 281 O HETATM 1121 O HOH A 327 18.141 -21.247 18.561 1.00 32.43 O ANISOU 1121 O HOH A 327 2993 3883 5444 -286 -271 435 O HETATM 1122 O HOH A 328 35.529 -35.566 17.115 1.00 27.55 O ANISOU 1122 O HOH A 328 2967 4147 3352 -380 279 1278 O HETATM 1123 O HOH A 329 52.163 1.566 21.864 1.00 27.61 O ANISOU 1123 O HOH A 329 4861 2333 3296 -1318 -120 -794 O HETATM 1124 O HOH A 330 34.249 -21.470 -2.578 1.00 23.36 O ANISOU 1124 O HOH A 330 2916 3381 2575 -98 -693 -284 O HETATM 1125 O HOH A 331 25.252 -16.127 27.102 1.00 27.37 O ANISOU 1125 O HOH A 331 3217 3377 3805 -507 843 -730 O HETATM 1126 O HOH A 332 22.809 -30.816 -5.076 1.00 31.35 O ANISOU 1126 O HOH A 332 3243 4875 3791 -421 -456 685 O HETATM 1127 O HOH A 333 17.435 -26.892 10.554 1.00 38.61 O ANISOU 1127 O HOH A 333 3988 4599 6081 -1719 -1590 560 O HETATM 1128 O HOH A 334 22.667 -15.827 19.263 1.00 29.79 O ANISOU 1128 O HOH A 334 3599 3137 4583 1054 -15 395 O HETATM 1129 O HOH A 335 28.061 -38.273 24.465 1.00 26.62 O ANISOU 1129 O HOH A 335 2861 4349 2902 -456 787 538 O HETATM 1130 O HOH A 336 25.464 -36.951 23.675 1.00 44.85 O ANISOU 1130 O HOH A 336 7717 4814 4507 1450 3151 1489 O HETATM 1131 O HOH A 337 33.840 -15.628 26.025 1.00 25.40 O ANISOU 1131 O HOH A 337 3946 2775 2927 -1139 -492 142 O HETATM 1132 O HOH A 338 28.803 -39.178 1.176 1.00 37.28 O ANISOU 1132 O HOH A 338 3301 6316 4545 -1069 -276 211 O HETATM 1133 O HOH A 339 35.792 -37.892 -3.022 1.00 34.73 O ANISOU 1133 O HOH A 339 6860 4043 2290 89 -199 -787 O HETATM 1134 O HOH A 340 21.402 -40.503 4.580 1.00 29.69 O ANISOU 1134 O HOH A 340 3182 3255 4841 -1560 -230 -725 O HETATM 1135 O HOH A 341 43.961 -38.123 0.082 1.00 30.63 O ANISOU 1135 O HOH A 341 3633 4708 3296 941 -47 -601 O HETATM 1136 O HOH A 342 38.974 -27.107 -5.436 1.00 36.75 O ANISOU 1136 O HOH A 342 4131 3718 6111 943 -993 -255 O HETATM 1137 O HOH A 343 17.188 -20.364 16.196 1.00 42.77 O ANISOU 1137 O HOH A 343 4254 6303 5693 2244 -570 226 O HETATM 1138 O HOH A 344 15.714 -20.152 22.921 1.00 39.58 O ANISOU 1138 O HOH A 344 4701 5023 5311 1390 692 1073 O HETATM 1139 O HOH A 345 54.750 2.093 28.369 1.00 51.90 O ANISOU 1139 O HOH A 345 7457 6539 5720 -3120 -1296 -2227 O HETATM 1140 O HOH A 346 41.393 -33.818 -4.343 1.00 31.70 O ANISOU 1140 O HOH A 346 4027 4016 3998 452 411 -864 O HETATM 1141 O HOH A 347 35.667 -42.548 2.733 1.00 42.58 O ANISOU 1141 O HOH A 347 6952 4223 5001 -1320 -624 770 O HETATM 1142 O HOH A 348 19.202 -19.739 14.089 1.00 40.77 O ANISOU 1142 O HOH A 348 4904 5375 5213 3216 -2003 -145 O HETATM 1143 O HOH A 349 38.258 -25.961 -7.839 1.00 42.67 O ANISOU 1143 O HOH A 349 4210 4655 7346 -1134 1426 -779 O HETATM 1144 O HOH A 350 25.758 -38.493 16.163 1.00 27.10 O ANISOU 1144 O HOH A 350 3156 3868 3270 -936 161 -328 O HETATM 1145 O HOH A 351 36.095 -39.358 18.573 1.00 32.76 O ANISOU 1145 O HOH A 351 3628 3971 4847 -400 904 -416 O HETATM 1146 O HOH A 352 30.389 -21.852 -3.970 1.00 33.78 O ANISOU 1146 O HOH A 352 5241 4680 2912 2867 -109 931 O HETATM 1147 O HOH A 353 18.104 -21.356 11.954 1.00 43.29 O ANISOU 1147 O HOH A 353 5485 5017 5946 1929 -2223 -197 O HETATM 1148 O HOH A 354 33.886 -27.016 -10.063 1.00 36.65 O ANISOU 1148 O HOH A 354 5962 5405 2559 -1999 -1423 349 O HETATM 1149 O HOH A 355 17.599 -29.708 3.133 1.00 42.37 O ANISOU 1149 O HOH A 355 6026 5194 4878 -68 -2225 1013 O HETATM 1150 O HOH A 356 38.271 -40.891 21.054 1.00 30.91 O ANISOU 1150 O HOH A 356 4293 3545 3903 -525 -379 115 O HETATM 1151 O HOH A 357 45.923 -41.518 2.222 1.00 33.41 O ANISOU 1151 O HOH A 357 4511 3349 4833 955 -1141 -2050 O HETATM 1152 O HOH A 358 43.004 -40.823 0.263 1.00 46.58 O ANISOU 1152 O HOH A 358 5573 4424 7701 -74 112 -2163 O HETATM 1153 O HOH A 359 15.103 -38.815 12.381 1.00 32.56 O ANISOU 1153 O HOH A 359 3517 4323 4531 -2392 -286 -273 O HETATM 1154 O HOH A 360 24.462 -40.342 6.812 1.00 38.27 O ANISOU 1154 O HOH A 360 5255 3984 5298 -997 -1825 -773 O HETATM 1155 O HOH A 361 41.954 -35.111 -0.797 1.00 27.30 O ANISOU 1155 O HOH A 361 4062 3134 3176 401 145 -136 O HETATM 1156 O HOH A 362 18.303 -23.948 8.821 1.00 37.63 O ANISOU 1156 O HOH A 362 4792 5449 4055 2102 -902 108 O HETATM 1157 O HOH A 363 11.156 -30.022 13.149 1.00 56.02 O ANISOU 1157 O HOH A 363 5022 3748 12513 -2459 -1344 660 O HETATM 1158 O HOH A 364 19.273 -34.957 7.420 1.00 29.73 O ANISOU 1158 O HOH A 364 3560 4212 3523 -1217 -45 693 O HETATM 1159 O HOH A 365 27.935 -19.158 14.767 1.00 37.65 O ANISOU 1159 O HOH A 365 4521 4901 4880 468 969 612 O HETATM 1160 O HOH A 366 28.046 -15.913 27.727 1.00 27.27 O ANISOU 1160 O HOH A 366 3207 4044 3109 302 1128 -435 O HETATM 1161 O HOH A 367 31.482 -41.729 25.411 1.00 41.93 O ANISOU 1161 O HOH A 367 3882 5889 6159 -1383 131 1782 O HETATM 1162 O HOH A 368 31.404 -38.561 6.804 1.00 48.50 O ANISOU 1162 O HOH A 368 3742 6435 8250 408 1883 2460 O HETATM 1163 O HOH A 369 28.600 -15.026 18.018 1.00 41.80 O ANISOU 1163 O HOH A 369 6004 4425 5452 78 -1500 657 O HETATM 1164 O HOH A 370 32.956 -38.392 -4.467 1.00 33.24 O ANISOU 1164 O HOH A 370 5002 4074 3550 -1215 24 -153 O HETATM 1165 O HOH A 371 44.940 -4.079 31.400 1.00 34.87 O ANISOU 1165 O HOH A 371 5806 4355 3088 -1550 630 -715 O HETATM 1166 O HOH A 372 22.831 -27.008 2.373 1.00 35.90 O ANISOU 1166 O HOH A 372 4344 4449 4847 -1242 -1703 614 O HETATM 1167 O HOH A 373 27.546 -21.166 0.240 1.00 32.50 O ANISOU 1167 O HOH A 373 3910 4367 4069 325 -833 337 O HETATM 1168 O HOH A 374 16.455 -35.751 6.435 1.00 37.50 O ANISOU 1168 O HOH A 374 4882 5044 4321 -1150 441 820 O HETATM 1169 O HOH A 375 26.127 -28.691 -7.253 1.00 36.14 O ANISOU 1169 O HOH A 375 4427 4777 4525 -74 -420 610 O HETATM 1170 O HOH A 376 28.684 -17.248 11.221 1.00 34.22 O ANISOU 1170 O HOH A 376 4381 4243 4379 559 514 -270 O HETATM 1171 O HOH A 377 15.790 -25.022 11.698 1.00 55.42 O ANISOU 1171 O HOH A 377 6633 8506 5917 460 -610 2180 O HETATM 1172 O HOH A 378 11.754 -31.945 10.611 1.00 43.01 O ANISOU 1172 O HOH A 378 3867 6366 6108 -1582 -675 563 O HETATM 1173 O HOH A 379 33.844 -24.091 -7.994 1.00 50.18 O ANISOU 1173 O HOH A 379 8331 5691 5043 3207 -1863 976 O HETATM 1174 O HOH A 380 39.240 -37.502 -3.709 1.00 42.65 O ANISOU 1174 O HOH A 380 5860 4879 5465 337 -463 -1327 O HETATM 1175 O HOH A 381 31.046 -19.698 -2.465 1.00 41.80 O ANISOU 1175 O HOH A 381 5753 6060 4067 -2351 -1589 1410 O HETATM 1176 O HOH A 382 38.836 -6.127 26.824 1.00 36.96 O ANISOU 1176 O HOH A 382 4896 4202 4945 13 -156 268 O HETATM 1177 O HOH A 383 12.310 -38.167 12.020 1.00 47.85 O ANISOU 1177 O HOH A 383 4630 5795 7753 -2428 -845 -494 O HETATM 1178 O HOH A 384 28.031 -26.824 33.830 1.00 41.40 O ANISOU 1178 O HOH A 384 5195 6205 4328 -1922 -353 -1475 O HETATM 1179 O HOH A 385 21.610 -23.276 4.345 1.00 39.71 O ANISOU 1179 O HOH A 385 3033 4836 7217 1376 -352 1448 O HETATM 1180 O HOH A 386 39.014 -23.293 32.626 1.00 47.59 O ANISOU 1180 O HOH A 386 6443 8317 3321 407 -320 -88 O HETATM 1181 O HOH A 387 28.884 -42.622 22.827 1.00 39.24 O ANISOU 1181 O HOH A 387 3985 3840 7084 -887 774 466 O HETATM 1182 O HOH A 388 35.721 -14.168 30.850 1.00 49.74 O ANISOU 1182 O HOH A 388 5066 7635 6198 -1165 424 -577 O HETATM 1183 O HOH A 389 19.488 -34.358 -4.113 1.00 43.59 O ANISOU 1183 O HOH A 389 6333 6200 4029 -649 -1774 -912 O HETATM 1184 O HOH A 390 33.001 -17.604 24.361 1.00 18.05 O ANISOU 1184 O HOH A 390 2225 2210 2423 272 322 112 O HETATM 1185 O HOH A 391 35.920 -40.220 4.743 1.00 39.11 O ANISOU 1185 O HOH A 391 6286 3633 4938 -2031 -1037 298 O HETATM 1186 O HOH A 392 20.503 -21.518 28.076 1.00 30.36 O ANISOU 1186 O HOH A 392 3271 4454 3811 -299 975 -61 O HETATM 1187 O HOH A 393 16.901 -42.557 18.175 1.00 31.45 O ANISOU 1187 O HOH A 393 3522 4860 3565 -1561 705 -64 O HETATM 1188 O HOH A 394 32.926 -31.178 22.527 1.00 18.84 O ANISOU 1188 O HOH A 394 2351 2309 2495 -147 275 409 O HETATM 1189 O HOH A 395 35.325 -30.885 23.694 1.00 17.75 O ANISOU 1189 O HOH A 395 2966 1882 1895 113 169 345 O HETATM 1190 O HOH A 396 34.582 -45.093 26.317 1.00 42.07 O ANISOU 1190 O HOH A 396 6258 3433 6293 -651 239 2061 O HETATM 1191 O HOH A 397 33.299 -36.210 16.200 0.50 23.61 O ANISOU 1191 O HOH A 397 2060 3343 3566 -508 179 837 O HETATM 1192 O HOH A 398 33.614 -38.200 12.861 1.00 43.64 O ANISOU 1192 O HOH A 398 3889 6796 5894 -1166 811 -66 O HETATM 1193 O HOH A 399 18.852 -30.916 0.517 1.00 48.71 O ANISOU 1193 O HOH A 399 7889 4890 5727 -1232 -2638 -339 O HETATM 1194 O HOH A 400 27.179 -24.373 30.020 1.00 42.08 O ANISOU 1194 O HOH A 400 5141 4552 6295 -793 -1013 1110 O HETATM 1195 O HOH A 401 18.574 -17.689 22.782 1.00 56.03 O ANISOU 1195 O HOH A 401 7735 6511 7042 2376 3464 346 O HETATM 1196 O HOH A 402 38.653 -6.147 30.613 1.00 44.09 O ANISOU 1196 O HOH A 402 7368 4178 5205 -1840 128 651 O HETATM 1197 O HOH A 403 40.738 -4.445 26.326 1.00 30.37 O ANISOU 1197 O HOH A 403 3094 2634 5809 377 -264 53 O HETATM 1198 O HOH A 404 27.246 -40.751 4.457 1.00 43.74 O ANISOU 1198 O HOH A 404 5728 5421 5468 -871 -3012 184 O HETATM 1199 O HOH A 405 18.805 -23.796 31.044 1.00 50.88 O ANISOU 1199 O HOH A 405 6544 6833 5953 1092 2878 -308 O HETATM 1200 O HOH A 406 23.281 -22.820 30.836 1.00 46.83 O ANISOU 1200 O HOH A 406 6664 5873 5256 -774 2822 -749 O HETATM 1201 O HOH A 407 12.789 -24.621 14.580 1.00 56.43 O ANISOU 1201 O HOH A 407 5828 8273 7340 861 -280 -573 O HETATM 1202 O HOH A 408 27.037 -24.336 -3.384 1.00 53.16 O ANISOU 1202 O HOH A 408 6029 9682 4486 -1841 -2837 1801 O HETATM 1203 O HOH A 409 12.257 -41.643 14.773 1.00 43.59 O ANISOU 1203 O HOH A 409 5083 6934 4542 -2687 793 -818 O HETATM 1204 O HOH A 410 19.339 -41.858 19.315 1.00 38.74 O ANISOU 1204 O HOH A 410 4444 4459 5816 -352 969 328 O HETATM 1205 O HOH A 411 23.439 -40.070 18.856 1.00 43.45 O ANISOU 1205 O HOH A 411 4249 4456 7803 -1251 109 923 O HETATM 1206 O HOH A 412 27.006 -41.100 24.218 1.00 37.96 O ANISOU 1206 O HOH A 412 5351 4718 4352 24 133 431 O HETATM 1207 O HOH A 413 30.188 -41.041 18.590 1.00 38.15 O ANISOU 1207 O HOH A 413 5730 3231 5532 -50 616 -33 O HETATM 1208 O HOH A 414 32.288 -39.603 15.594 1.00 47.20 O ANISOU 1208 O HOH A 414 6923 6139 4871 1606 200 -832 O HETATM 1209 O HOH A 415 28.209 -40.465 16.848 1.00 47.54 O ANISOU 1209 O HOH A 415 4649 5449 7964 -883 1054 236 O HETATM 1210 O HOH A 416 31.305 -45.109 20.205 1.00 50.44 O ANISOU 1210 O HOH A 416 8666 3884 6614 -2616 -1077 -214 O HETATM 1211 O HOH A 417 31.696 -39.600 27.400 1.00 47.23 O ANISOU 1211 O HOH A 417 5430 5785 6729 -721 1373 2040 O HETATM 1212 O HOH A 418 32.906 -11.904 30.357 1.00 47.74 O ANISOU 1212 O HOH A 418 7627 5487 5025 -1086 -1163 -849 O HETATM 1213 O HOH A 419 30.430 -24.958 -9.572 1.00 48.78 O ANISOU 1213 O HOH A 419 8290 6779 3464 -1563 -2257 918 O HETATM 1214 O HOH A 420 42.112 -38.159 -4.005 1.00 53.44 O ANISOU 1214 O HOH A 420 6334 6944 7027 -460 -1281 -1787 O HETATM 1215 O HOH A 421 33.816 -21.212 34.555 1.00 53.68 O ANISOU 1215 O HOH A 421 7185 7787 5422 -70 -1934 -1738 O HETATM 1216 O HOH A 422 36.901 -15.870 29.143 1.00 34.67 O ANISOU 1216 O HOH A 422 4241 3819 5113 -190 609 -695 O HETATM 1217 O HOH A 423 39.254 -19.394 30.985 1.00 34.31 O ANISOU 1217 O HOH A 423 5683 4654 2697 75 -197 679 O HETATM 1218 O HOH A 424 38.983 -26.661 31.137 1.00 40.02 O ANISOU 1218 O HOH A 424 4229 4922 6053 -517 -123 823 O HETATM 1219 O HOH A 425 31.482 -14.391 16.753 1.00 38.83 O ANISOU 1219 O HOH A 425 5523 5325 3903 669 -724 530 O HETATM 1220 O HOH A 426 33.155 -16.204 16.458 1.00 42.84 O ANISOU 1220 O HOH A 426 4824 3382 8068 52 -890 134 O HETATM 1221 O HOH A 427 30.425 -18.405 14.744 1.00 50.01 O ANISOU 1221 O HOH A 427 6445 4783 7771 762 -3507 84 O HETATM 1222 O HOH A 428 27.103 -14.469 19.974 1.00 49.68 O ANISOU 1222 O HOH A 428 7573 5098 6205 8 -907 414 O HETATM 1223 O HOH A 429 26.538 -11.387 25.882 1.00 55.63 O ANISOU 1223 O HOH A 429 6494 6317 8324 739 2966 -1378 O HETATM 1224 O HOH A 430 39.674 -42.119 28.826 1.00 43.43 O ANISOU 1224 O HOH A 430 5359 5969 5171 -104 997 2952 O HETATM 1225 O HOH A 431 22.349 -19.611 12.426 1.00 39.39 O ANISOU 1225 O HOH A 431 4712 4626 5627 643 821 1387 O HETATM 1226 O HOH A 432 39.772 -25.162 -3.885 1.00 57.89 O ANISOU 1226 O HOH A 432 10168 5185 6639 -1108 599 331 O HETATM 1227 O HOH A 433 42.196 -35.591 -6.402 1.00 57.05 O ANISOU 1227 O HOH A 433 8628 5934 7114 434 794 -947 O HETATM 1228 O HOH A 434 37.928 -7.824 28.276 1.00 37.95 O ANISOU 1228 O HOH A 434 4176 5289 4952 1609 -269 -989 O HETATM 1229 O HOH A 435 25.058 -32.023 33.479 1.00 47.65 O ANISOU 1229 O HOH A 435 5735 8453 3914 -1543 410 1634 O HETATM 1230 O HOH A 436 17.138 -41.331 8.795 1.00 53.79 O ANISOU 1230 O HOH A 436 6032 8353 6053 -1441 -1465 -1830 O HETATM 1231 O HOH A 437 15.156 -39.443 9.787 1.00 48.90 O ANISOU 1231 O HOH A 437 4960 7267 6353 -2072 187 -2055 O HETATM 1232 O HOH A 438 40.441 -5.976 33.810 1.00 48.40 O ANISOU 1232 O HOH A 438 8747 2888 6753 254 -420 -669 O HETATM 1233 O HOH A 439 12.597 -30.626 18.390 1.00 45.83 O ANISOU 1233 O HOH A 439 3951 6451 7010 -2314 176 149 O HETATM 1234 O HOH A 440 13.208 -34.345 -0.221 1.00 45.56 O ANISOU 1234 O HOH A 440 5450 5757 6100 -899 -948 -423 O HETATM 1235 O HOH A 441 31.147 -43.972 26.371 1.00 54.01 O ANISOU 1235 O HOH A 441 8148 6186 6185 -794 -488 -106 O HETATM 1236 O HOH A 442 15.452 -30.617 -0.715 1.00 52.11 O ANISOU 1236 O HOH A 442 9024 6581 4195 888 -1180 294 O HETATM 1237 O HOH A 443 26.057 -41.303 8.957 1.00 43.88 O ANISOU 1237 O HOH A 443 6473 4732 5466 -927 -461 -1064 O HETATM 1238 O HOH A 444 49.320 0.718 32.448 1.00 45.09 O ANISOU 1238 O HOH A 444 6225 5600 5306 -2040 -1315 -1047 O HETATM 1239 O HOH A 445 18.094 -28.629 5.704 1.00 46.19 O ANISOU 1239 O HOH A 445 5548 5085 6917 347 -2861 -307 O HETATM 1240 O HOH A 446 22.434 -33.857 -5.305 1.00 39.72 O ANISOU 1240 O HOH A 446 4194 6009 4886 -1564 -30 -247 O HETATM 1241 O HOH A 447 22.234 -20.006 30.819 1.00 54.64 O ANISOU 1241 O HOH A 447 6099 8147 6515 377 1963 -1074 O HETATM 1242 O HOH A 448 24.100 -13.747 27.161 1.00 47.93 O ANISOU 1242 O HOH A 448 5371 5748 7089 1316 790 -1037 O HETATM 1243 O HOH A 449 19.565 -17.233 26.912 1.00 49.57 O ANISOU 1243 O HOH A 449 5691 6202 6940 1410 1548 -1939 O HETATM 1244 O HOH A 450 24.762 -13.868 19.081 1.00 56.45 O ANISOU 1244 O HOH A 450 8277 5325 7843 -171 186 487 O HETATM 1245 O HOH A 451 21.132 -14.599 21.369 1.00 55.63 O ANISOU 1245 O HOH A 451 7960 6409 6767 1063 309 -654 O HETATM 1246 O HOH A 452 26.397 -19.220 10.852 1.00 47.20 O ANISOU 1246 O HOH A 452 5833 4579 7518 254 287 303 O HETATM 1247 O HOH A 453 41.118 -38.705 13.388 1.00 49.32 O ANISOU 1247 O HOH A 453 7662 5478 5596 -409 -2024 -770 O HETATM 1248 O HOH A 454 31.098 -24.202 32.553 1.00 46.36 O ANISOU 1248 O HOH A 454 5458 6487 5669 -975 -434 552 O HETATM 1249 O HOH A 455 34.251 -40.129 6.688 1.00 53.59 O ANISOU 1249 O HOH A 455 9271 5270 5819 -2129 -211 243 O HETATM 1250 O HOH A 456 52.561 -1.251 31.725 1.00 46.81 O ANISOU 1250 O HOH A 456 6056 6537 5190 -1929 -881 -1327 O HETATM 1251 O HOH A 457 51.362 1.273 30.231 1.00 49.58 O ANISOU 1251 O HOH A 457 5820 5952 7064 -205 -1056 -3243 O HETATM 1252 O HOH A 458 10.729 -36.632 16.459 0.50 30.65 O ANISOU 1252 O HOH A 458 4154 4439 3052 -527 575 891 O HETATM 1253 O HOH A 459 33.105 -35.734 13.639 0.50 30.61 O ANISOU 1253 O HOH A 459 2414 4410 4806 -625 1191 205 O HETATM 1254 O HOH A 460 28.341 -37.277 17.073 0.50 34.66 O ANISOU 1254 O HOH A 460 4330 4720 4117 171 473 863 O HETATM 1255 O HOH A 461 34.094 -17.773 33.572 1.00 44.90 O ANISOU 1255 O HOH A 461 6169 6912 3978 318 -212 -757 O HETATM 1256 O HOH A 462 35.216 -15.727 32.776 1.00 50.39 O ANISOU 1256 O HOH A 462 6430 7121 5593 -544 -718 -459 O HETATM 1257 O HOH A 463 36.111 -19.943 33.735 1.00 44.30 O ANISOU 1257 O HOH A 463 6255 6062 4512 -113 773 136 O CONECT 1082 1083 CONECT 1083 1082 1084 CONECT 1084 1083 1085 CONECT 1085 1084 1086 CONECT 1086 1085 1087 CONECT 1087 1086 1088 CONECT 1088 1087 1089 CONECT 1089 1088 1090 CONECT 1090 1089 1091 CONECT 1091 1090 1092 CONECT 1092 1091 1093 CONECT 1093 1092 1094 CONECT 1094 1093 END