HEADER LIPID-BINDING PROTEIN 21-DEC-93 1LIB TITLE THE ADIPOCYTE LIPID-BINDING PROTEIN AT 1.6 ANGSTROMS TITLE 2 RESOLUTION: CRYSTAL STRUCTURES OF THE APOPROTEIN AND WITH TITLE 3 BOUND SATURATED AND UNSATURATED FATTY ACIDS COMPND MOL_ID: 1; COMPND 2 MOLECULE: ADIPOCYTE LIPID-BINDING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS LIPID-BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR Z.ZU,D.A.BERNLOHR,L.J.BANASZAK REVDAT 3 24-FEB-09 1LIB 1 VERSN REVDAT 2 01-APR-03 1LIB 1 JRNL REVDAT 1 30-APR-94 1LIB 0 JRNL AUTH Z.XU,D.A.BERNLOHR,L.J.BANASZAK JRNL TITL THE ADIPOCYTE LIPID-BINDING PROTEIN AT 1.6-A JRNL TITL 2 RESOLUTION. CRYSTAL STRUCTURES OF THE APOPROTEIN JRNL TITL 3 AND WITH BOUND SATURATED AND UNSATURATED FATTY JRNL TITL 4 ACIDS. JRNL REF J.BIOL.CHEM. V. 268 7874 1993 JRNL REFN ISSN 0021-9258 JRNL PMID 8463311 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Z.XU,D.A.BERNLOHR,L.J.BANASZAK REMARK 1 TITL CRYSTAL STRUCTURE OF RECOMBINANT MURINE ADIPOCYTE REMARK 1 TITL 2 LIPID-BINDING PROTEIN REMARK 1 REF BIOCHEMISTRY V. 31 6 1992 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT, X-PLOR REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 13603 REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.180 REMARK 3 R VALUE (WORKING SET) : 0.180 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1028 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 89 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : NULL ; NULL ; NULL REMARK 3 BOND ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES (A) : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : NULL REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LIB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.19 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.24 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z 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 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 60.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 18.92500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 60.00000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 18.92500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 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 -1.000000 0.000000 0.000000 -120.00000 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 CE LYS A 21 CE LYS A 21 2455 0.56 REMARK 500 CD LYS A 21 CE LYS A 21 2455 1.19 REMARK 500 CD LYS A 21 CD LYS A 21 2455 1.67 REMARK 500 CE LYS A 21 NZ LYS A 21 2455 1.68 REMARK 500 CD LYS A 21 NZ LYS A 21 2455 2.01 REMARK 500 CG LYS A 21 NZ LYS A 21 2455 2.03 REMARK 500 OD2 ASP A 17 NZ LYS A 21 2455 2.07 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 CYS A 1 CA - CB - SG ANGL. DEV. = -26.4 DEGREES REMARK 500 TRP A 8 CD1 - CG - CD2 ANGL. DEV. = 6.0 DEGREES REMARK 500 TRP A 8 CE2 - CD2 - CG ANGL. DEV. = -5.3 DEGREES REMARK 500 MET A 35 CG - SD - CE ANGL. DEV. = 9.8 DEGREES REMARK 500 ARG A 78 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 78 NE - CZ - NH2 ANGL. DEV. = -5.1 DEGREES REMARK 500 TRP A 97 CD1 - CG - CD2 ANGL. DEV. = 6.6 DEGREES REMARK 500 TRP A 97 CB - CG - CD1 ANGL. DEV. = -8.0 DEGREES REMARK 500 TRP A 97 CE2 - CD2 - CG ANGL. DEV. = -6.4 DEGREES REMARK 500 TRP A 97 CG - CD2 - CE3 ANGL. DEV. = 5.9 DEGREES REMARK 500 ARG A 108 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 ARG A 126 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 120 61.64 38.73 REMARK 500 REMARK 500 REMARK: NULL DBREF 1LIB A 1 131 UNP P04117 FABPA_MOUSE 1 131 SEQRES 1 A 131 CYS ASP ALA PHE VAL GLY THR TRP LYS LEU VAL SER SER SEQRES 2 A 131 GLU ASN PHE ASP ASP TYR MET LYS GLU VAL GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG LYS VAL ALA GLY MET ALA LYS PRO ASN SEQRES 4 A 131 MET ILE ILE SER VAL ASN GLY ASP LEU VAL THR ILE ARG SEQRES 5 A 131 SER GLU SER THR PHE LYS ASN THR GLU ILE SER PHE LYS SEQRES 6 A 131 LEU GLY VAL GLU PHE ASP GLU ILE THR ALA ASP ASP ARG SEQRES 7 A 131 LYS VAL LYS SER ILE ILE THR LEU ASP GLY GLY ALA LEU SEQRES 8 A 131 VAL GLN VAL GLN LYS TRP ASP GLY LYS SER THR THR ILE SEQRES 9 A 131 LYS ARG LYS ARG ASP GLY ASP LYS LEU VAL VAL GLU CYS SEQRES 10 A 131 VAL MET LYS GLY VAL THR SER THR ARG VAL TYR GLU ARG SEQRES 11 A 131 ALA FORMUL 2 HOH *89(H2 O) HELIX 1 H1 PHE A 16 VAL A 23 1 8 HELIX 2 H2 PHE A 27 MET A 35 1 9 SHEET 1 S111 GLY A 6 GLU A 14 0 SHEET 2 S111 ASN A 39 ASN A 45 1 SHEET 3 S111 LEU A 48 GLU A 54 1 SHEET 4 S111 ASN A 59 PHE A 64 1 SHEET 5 S111 PHE A 70 ILE A 73 1 SHEET 6 S111 LYS A 79 ASP A 87 1 SHEET 7 S111 ALA A 90 TRP A 97 1 SHEET 8 S111 LYS A 100 ASP A 109 1 SHEET 9 S111 LYS A 112 MET A 119 1 SHEET 10 S111 VAL A 122 ARG A 130 1 SHEET 11 S111 GLY A 6 GLU A 14 1 CRYST1 120.000 37.850 28.760 90.00 92.20 90.00 C 1 2 1 4 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 0.008333 0.000000 0.000320 0.00000 SCALE2 0.000000 0.026420 0.000000 0.00000 SCALE3 0.000000 0.000000 0.034796 0.00000 ATOM 1 N CYS A 1 -29.155 65.779 -5.788 1.00 32.63 N ATOM 2 CA CYS A 1 -27.909 65.165 -6.179 1.00 30.57 C ATOM 3 C CYS A 1 -27.917 63.651 -6.260 1.00 27.09 C ATOM 4 O CYS A 1 -29.011 63.148 -6.465 1.00 24.14 O ATOM 5 CB CYS A 1 -26.890 65.729 -5.244 1.00 32.04 C ATOM 6 SG CYS A 1 -27.040 67.287 -6.139 1.00 37.33 S ATOM 7 N ASP A 2 -26.835 62.897 -6.130 1.00 24.12 N ATOM 8 CA ASP A 2 -26.820 61.493 -6.517 1.00 23.47 C ATOM 9 C ASP A 2 -27.911 60.578 -6.003 1.00 21.09 C ATOM 10 O ASP A 2 -28.497 59.871 -6.815 1.00 19.65 O ATOM 11 CB ASP A 2 -25.468 60.894 -6.152 1.00 29.33 C ATOM 12 CG ASP A 2 -24.323 61.550 -6.929 1.00 35.14 C ATOM 13 OD1 ASP A 2 -23.841 62.633 -6.562 1.00 37.89 O ATOM 14 OD2 ASP A 2 -23.927 60.967 -7.931 1.00 40.31 O ATOM 15 N ALA A 3 -28.242 60.666 -4.714 1.00 16.50 N ATOM 16 CA ALA A 3 -29.273 59.848 -4.093 1.00 14.73 C ATOM 17 C ALA A 3 -30.657 60.149 -4.671 1.00 14.43 C ATOM 18 O ALA A 3 -31.584 59.379 -4.505 1.00 14.80 O ATOM 19 CB ALA A 3 -29.291 60.143 -2.608 1.00 14.77 C ATOM 20 N PHE A 4 -30.828 61.288 -5.346 1.00 12.91 N ATOM 21 CA PHE A 4 -32.109 61.700 -5.909 1.00 10.13 C ATOM 22 C PHE A 4 -32.293 61.306 -7.357 1.00 10.65 C ATOM 23 O PHE A 4 -33.431 61.323 -7.841 1.00 10.28 O ATOM 24 CB PHE A 4 -32.268 63.235 -5.814 1.00 9.42 C ATOM 25 CG PHE A 4 -32.400 63.678 -4.389 1.00 10.55 C ATOM 26 CD1 PHE A 4 -33.636 63.610 -3.768 1.00 11.78 C ATOM 27 CD2 PHE A 4 -31.289 64.132 -3.703 1.00 12.60 C ATOM 28 CE1 PHE A 4 -33.723 63.996 -2.450 1.00 12.88 C ATOM 29 CE2 PHE A 4 -31.397 64.517 -2.383 1.00 11.49 C ATOM 30 CZ PHE A 4 -32.614 64.447 -1.753 1.00 11.50 C ATOM 31 N VAL A 5 -31.236 60.971 -8.072 1.00 7.32 N ATOM 32 CA VAL A 5 -31.344 60.755 -9.484 1.00 10.57 C ATOM 33 C VAL A 5 -32.167 59.516 -9.805 1.00 11.15 C ATOM 34 O VAL A 5 -32.000 58.486 -9.134 1.00 11.66 O ATOM 35 CB VAL A 5 -29.889 60.661 -10.062 1.00 12.46 C ATOM 36 CG1 VAL A 5 -29.881 60.198 -11.520 1.00 12.59 C ATOM 37 CG2 VAL A 5 -29.236 62.051 -9.964 1.00 12.38 C ATOM 38 N GLY A 6 -33.051 59.617 -10.801 1.00 11.26 N ATOM 39 CA GLY A 6 -33.866 58.492 -11.247 1.00 10.14 C ATOM 40 C GLY A 6 -35.267 58.927 -11.596 1.00 10.91 C ATOM 41 O GLY A 6 -35.539 60.133 -11.645 1.00 10.21 O ATOM 42 N THR A 7 -36.125 57.942 -11.867 1.00 11.12 N ATOM 43 CA THR A 7 -37.526 58.188 -12.171 1.00 12.41 C ATOM 44 C THR A 7 -38.289 57.621 -10.990 1.00 12.79 C ATOM 45 O THR A 7 -38.035 56.476 -10.580 1.00 13.13 O ATOM 46 CB THR A 7 -37.975 57.464 -13.418 1.00 12.60 C ATOM 47 OG1 THR A 7 -37.116 57.935 -14.436 1.00 13.39 O ATOM 48 CG2 THR A 7 -39.469 57.689 -13.736 1.00 13.73 C ATOM 49 N TRP A 8 -39.226 58.404 -10.457 1.00 10.07 N ATOM 50 CA TRP A 8 -39.950 58.096 -9.235 1.00 10.75 C ATOM 51 C TRP A 8 -41.457 58.147 -9.567 1.00 11.57 C ATOM 52 O TRP A 8 -41.923 58.964 -10.387 1.00 13.12 O ATOM 53 CB TRP A 8 -39.575 59.129 -8.159 1.00 9.26 C ATOM 54 CG TRP A 8 -38.090 59.188 -7.784 1.00 9.16 C ATOM 55 CD1 TRP A 8 -37.199 59.989 -8.459 1.00 9.95 C ATOM 56 CD2 TRP A 8 -37.488 58.467 -6.781 1.00 8.38 C ATOM 57 NE1 TRP A 8 -36.032 59.778 -7.881 1.00 11.27 N ATOM 58 CE2 TRP A 8 -36.163 58.887 -6.876 1.00 10.09 C ATOM 59 CE3 TRP A 8 -37.871 57.546 -5.812 1.00 8.74 C ATOM 60 CZ2 TRP A 8 -35.196 58.393 -6.000 1.00 8.65 C ATOM 61 CZ3 TRP A 8 -36.909 57.062 -4.941 1.00 9.11 C ATOM 62 CH2 TRP A 8 -35.584 57.476 -5.035 1.00 8.45 C ATOM 63 N LYS A 9 -42.242 57.255 -8.978 1.00 11.37 N ATOM 64 CA LYS A 9 -43.671 57.171 -9.242 1.00 11.48 C ATOM 65 C LYS A 9 -44.368 57.332 -7.918 1.00 10.21 C ATOM 66 O LYS A 9 -43.889 56.863 -6.872 1.00 10.11 O ATOM 67 CB LYS A 9 -44.016 55.821 -9.900 1.00 15.08 C ATOM 68 CG LYS A 9 -43.298 54.636 -9.286 1.00 22.19 C ATOM 69 CD LYS A 9 -43.597 53.308 -9.969 1.00 27.77 C ATOM 70 CE LYS A 9 -45.027 52.847 -9.606 1.00 31.12 C ATOM 71 NZ LYS A 9 -45.393 51.567 -10.229 1.00 0.00 N ATOM 72 N LEU A 10 -45.480 58.062 -7.940 1.00 9.50 N ATOM 73 CA LEU A 10 -46.170 58.399 -6.725 1.00 10.21 C ATOM 74 C LEU A 10 -46.846 57.173 -6.112 1.00 11.70 C ATOM 75 O LEU A 10 -47.567 56.444 -6.800 1.00 14.11 O ATOM 76 CB LEU A 10 -47.185 59.503 -7.072 1.00 12.18 C ATOM 77 CG LEU A 10 -48.036 59.984 -5.895 1.00 11.63 C ATOM 78 CD1 LEU A 10 -47.273 60.800 -4.883 1.00 11.55 C ATOM 79 CD2 LEU A 10 -49.139 60.787 -6.495 1.00 13.14 C ATOM 80 N VAL A 11 -46.618 56.946 -4.836 1.00 11.09 N ATOM 81 CA VAL A 11 -47.212 55.869 -4.081 1.00 14.06 C ATOM 82 C VAL A 11 -48.313 56.413 -3.197 1.00 15.96 C ATOM 83 O VAL A 11 -49.368 55.780 -3.162 1.00 17.27 O ATOM 84 CB VAL A 11 -46.097 55.178 -3.257 1.00 16.01 C ATOM 85 CG1 VAL A 11 -46.535 54.285 -2.121 1.00 19.63 C ATOM 86 CG2 VAL A 11 -45.418 54.315 -4.295 1.00 18.07 C ATOM 87 N SER A 12 -48.191 57.518 -2.466 1.00 13.07 N ATOM 88 CA SER A 12 -49.296 57.986 -1.661 1.00 14.19 C ATOM 89 C SER A 12 -49.226 59.476 -1.468 1.00 14.10 C ATOM 90 O SER A 12 -48.146 60.049 -1.621 1.00 11.37 O ATOM 91 CB SER A 12 -49.311 57.335 -0.290 1.00 15.22 C ATOM 92 OG SER A 12 -48.152 57.591 0.459 1.00 18.68 O ATOM 93 N SER A 13 -50.337 60.077 -1.069 1.00 14.43 N ATOM 94 CA SER A 13 -50.410 61.520 -0.874 1.00 15.15 C ATOM 95 C SER A 13 -51.263 61.833 0.348 1.00 15.79 C ATOM 96 O SER A 13 -52.263 61.132 0.582 1.00 17.54 O ATOM 97 CB SER A 13 -50.984 62.089 -2.167 1.00 16.72 C ATOM 98 OG SER A 13 -51.175 63.495 -2.162 1.00 18.88 O ATOM 99 N GLU A 14 -50.891 62.796 1.183 1.00 13.06 N ATOM 100 CA GLU A 14 -51.640 63.167 2.362 1.00 14.70 C ATOM 101 C GLU A 14 -51.805 64.671 2.291 1.00 15.00 C ATOM 102 O GLU A 14 -50.813 65.363 2.099 1.00 13.50 O ATOM 103 CB GLU A 14 -50.875 62.786 3.621 1.00 19.45 C ATOM 104 CG GLU A 14 -51.178 63.581 4.906 1.00 29.51 C ATOM 105 CD GLU A 14 -49.958 64.062 5.756 1.00 34.92 C ATOM 106 OE1 GLU A 14 -49.241 65.058 5.435 1.00 32.91 O ATOM 107 OE2 GLU A 14 -49.762 63.420 6.793 1.00 34.76 O ATOM 108 N ASN A 15 -53.034 65.196 2.369 1.00 13.29 N ATOM 109 CA ASN A 15 -53.357 66.627 2.424 1.00 14.47 C ATOM 110 C ASN A 15 -52.957 67.463 1.221 1.00 13.36 C ATOM 111 O ASN A 15 -52.854 68.691 1.328 1.00 13.07 O ATOM 112 CB ASN A 15 -52.727 67.321 3.651 1.00 15.76 C ATOM 113 CG ASN A 15 -53.102 66.714 4.974 1.00 20.26 C ATOM 114 OD1 ASN A 15 -54.190 66.141 5.093 1.00 19.68 O ATOM 115 ND2 ASN A 15 -52.235 66.739 5.989 1.00 20.49 N ATOM 116 N PHE A 16 -52.763 66.899 0.026 1.00 13.61 N ATOM 117 CA PHE A 16 -52.314 67.691 -1.105 1.00 12.31 C ATOM 118 C PHE A 16 -53.390 68.646 -1.592 1.00 12.65 C ATOM 119 O PHE A 16 -53.073 69.794 -1.928 1.00 11.30 O ATOM 120 CB PHE A 16 -51.864 66.710 -2.186 1.00 17.29 C ATOM 121 CG PHE A 16 -51.288 67.379 -3.413 1.00 18.57 C ATOM 122 CD1 PHE A 16 -50.191 68.201 -3.292 1.00 21.70 C ATOM 123 CD2 PHE A 16 -51.910 67.159 -4.622 1.00 20.24 C ATOM 124 CE1 PHE A 16 -49.729 68.842 -4.432 1.00 24.61 C ATOM 125 CE2 PHE A 16 -51.451 67.792 -5.743 1.00 23.23 C ATOM 126 CZ PHE A 16 -50.356 68.623 -5.651 1.00 23.85 C ATOM 127 N ASP A 17 -54.666 68.224 -1.556 1.00 12.65 N ATOM 128 CA ASP A 17 -55.728 69.119 -1.978 1.00 13.84 C ATOM 129 C ASP A 17 -55.786 70.283 -0.996 1.00 12.94 C ATOM 130 O ASP A 17 -55.931 71.423 -1.435 1.00 13.59 O ATOM 131 CB ASP A 17 -57.064 68.413 -1.999 1.00 18.56 C ATOM 132 CG ASP A 17 -58.088 69.258 -2.729 1.00 22.08 C ATOM 133 OD1 ASP A 17 -58.122 69.247 -3.959 1.00 26.05 O ATOM 134 OD2 ASP A 17 -58.850 69.952 -2.061 1.00 27.21 O ATOM 135 N ASP A 18 -55.614 70.031 0.303 1.00 11.94 N ATOM 136 CA ASP A 18 -55.589 71.094 1.302 1.00 13.94 C ATOM 137 C ASP A 18 -54.441 72.058 1.120 1.00 13.88 C ATOM 138 O ASP A 18 -54.608 73.264 1.295 1.00 13.09 O ATOM 139 CB ASP A 18 -55.503 70.531 2.711 1.00 17.67 C ATOM 140 CG ASP A 18 -56.780 69.776 3.112 1.00 21.94 C ATOM 141 OD1 ASP A 18 -57.887 70.221 2.814 1.00 22.78 O ATOM 142 OD2 ASP A 18 -56.671 68.729 3.730 1.00 24.57 O ATOM 143 N TYR A 19 -53.260 71.561 0.751 1.00 13.61 N ATOM 144 CA TYR A 19 -52.144 72.444 0.442 1.00 14.10 C ATOM 145 C TYR A 19 -52.467 73.322 -0.761 1.00 12.41 C ATOM 146 O TYR A 19 -52.195 74.533 -0.739 1.00 14.25 O ATOM 147 CB TYR A 19 -50.899 71.602 0.160 1.00 12.54 C ATOM 148 CG TYR A 19 -49.727 72.408 -0.389 1.00 12.76 C ATOM 149 CD1 TYR A 19 -48.936 73.164 0.455 1.00 12.00 C ATOM 150 CD2 TYR A 19 -49.461 72.362 -1.754 1.00 12.41 C ATOM 151 CE1 TYR A 19 -47.868 73.875 -0.090 1.00 13.10 C ATOM 152 CE2 TYR A 19 -48.398 73.070 -2.279 1.00 13.52 C ATOM 153 CZ TYR A 19 -47.593 73.832 -1.446 1.00 12.93 C ATOM 154 OH TYR A 19 -46.533 74.577 -1.981 1.00 13.89 O ATOM 155 N MET A 20 -52.998 72.747 -1.842 1.00 12.76 N ATOM 156 CA MET A 20 -53.321 73.515 -3.035 1.00 14.08 C ATOM 157 C MET A 20 -54.386 74.563 -2.742 1.00 13.91 C ATOM 158 O MET A 20 -54.348 75.669 -3.287 1.00 13.23 O ATOM 159 CB MET A 20 -53.822 72.613 -4.145 1.00 14.90 C ATOM 160 CG MET A 20 -52.723 71.746 -4.775 1.00 18.80 C ATOM 161 SD MET A 20 -53.196 70.958 -6.343 1.00 22.30 S ATOM 162 CE MET A 20 -54.316 69.717 -5.732 1.00 22.24 C ATOM 163 N LYS A 21 -55.320 74.264 -1.850 1.00 15.68 N ATOM 164 CA LYS A 21 -56.318 75.256 -1.437 1.00 18.98 C ATOM 165 C LYS A 21 -55.617 76.457 -0.805 1.00 18.94 C ATOM 166 O LYS A 21 -55.855 77.610 -1.160 1.00 19.18 O ATOM 167 CB LYS A 21 -57.287 74.717 -0.386 1.00 20.53 C ATOM 168 CG LYS A 21 -58.317 73.664 -0.824 1.00 26.36 C ATOM 169 CD LYS A 21 -59.226 73.206 0.318 1.00 0.00 C ATOM 170 CE LYS A 21 -60.252 72.158 -0.118 1.00 0.00 C ATOM 171 NZ LYS A 21 -61.126 71.718 0.979 1.00 0.00 N ATOM 172 N GLU A 22 -54.689 76.199 0.098 1.00 18.31 N ATOM 173 CA GLU A 22 -53.963 77.262 0.760 1.00 19.46 C ATOM 174 C GLU A 22 -53.112 78.084 -0.191 1.00 20.50 C ATOM 175 O GLU A 22 -52.906 79.282 0.026 1.00 19.95 O ATOM 176 CB GLU A 22 -53.099 76.657 1.839 1.00 20.41 C ATOM 177 CG GLU A 22 -53.189 77.502 3.062 1.00 27.12 C ATOM 178 CD GLU A 22 -54.486 77.458 3.884 1.00 29.39 C ATOM 179 OE1 GLU A 22 -55.558 77.044 3.440 1.00 34.04 O ATOM 180 OE2 GLU A 22 -54.415 77.826 5.048 1.00 36.53 O ATOM 181 N VAL A 23 -52.583 77.480 -1.254 1.00 20.25 N ATOM 182 CA VAL A 23 -51.819 78.209 -2.268 1.00 20.76 C ATOM 183 C VAL A 23 -52.741 79.022 -3.188 1.00 22.23 C ATOM 184 O VAL A 23 -52.311 79.834 -4.020 1.00 25.13 O ATOM 185 CB VAL A 23 -50.993 77.139 -3.017 1.00 20.09 C ATOM 186 CG1 VAL A 23 -50.416 77.628 -4.321 1.00 20.96 C ATOM 187 CG2 VAL A 23 -49.850 76.746 -2.091 1.00 18.18 C ATOM 188 N GLY A 24 -54.035 78.768 -3.088 1.00 24.00 N ATOM 189 CA GLY A 24 -55.021 79.475 -3.881 1.00 24.56 C ATOM 190 C GLY A 24 -55.274 78.848 -5.248 1.00 24.35 C ATOM 191 O GLY A 24 -55.692 79.531 -6.194 1.00 25.65 O ATOM 192 N VAL A 25 -55.079 77.544 -5.404 1.00 21.92 N ATOM 193 CA VAL A 25 -55.377 76.922 -6.671 1.00 21.18 C ATOM 194 C VAL A 25 -56.904 76.709 -6.712 1.00 21.69 C ATOM 195 O VAL A 25 -57.539 76.323 -5.717 1.00 20.54 O ATOM 196 CB VAL A 25 -54.611 75.595 -6.773 1.00 19.70 C ATOM 197 CG1 VAL A 25 -54.944 74.890 -8.093 1.00 17.49 C ATOM 198 CG2 VAL A 25 -53.107 75.897 -6.596 1.00 19.03 C ATOM 199 N GLY A 26 -57.473 77.010 -7.881 1.00 23.57 N ATOM 200 CA GLY A 26 -58.911 76.863 -8.109 1.00 24.85 C ATOM 201 C GLY A 26 -59.383 75.412 -8.196 1.00 24.38 C ATOM 202 O GLY A 26 -58.627 74.524 -8.577 1.00 24.05 O ATOM 203 N PHE A 27 -60.677 75.197 -7.939 1.00 25.43 N ATOM 204 CA PHE A 27 -61.311 73.879 -7.936 1.00 25.74 C ATOM 205 C PHE A 27 -60.955 73.022 -9.148 1.00 25.78 C ATOM 206 O PHE A 27 -60.428 71.916 -8.969 1.00 25.81 O ATOM 207 CB PHE A 27 -62.863 74.044 -7.850 1.00 26.53 C ATOM 208 CG PHE A 27 -63.662 72.743 -7.696 1.00 26.01 C ATOM 209 CD1 PHE A 27 -63.625 72.041 -6.511 1.00 26.52 C ATOM 210 CD2 PHE A 27 -64.371 72.227 -8.764 1.00 27.03 C ATOM 211 CE1 PHE A 27 -64.275 70.829 -6.396 1.00 26.95 C ATOM 212 CE2 PHE A 27 -65.019 71.016 -8.639 1.00 28.48 C ATOM 213 CZ PHE A 27 -64.970 70.312 -7.459 1.00 27.19 C ATOM 214 N ALA A 28 -61.152 73.482 -10.381 1.00 25.82 N ATOM 215 CA ALA A 28 -60.857 72.624 -11.535 1.00 26.69 C ATOM 216 C ALA A 28 -59.405 72.182 -11.643 1.00 26.08 C ATOM 217 O ALA A 28 -59.158 71.000 -11.866 1.00 26.45 O ATOM 218 CB ALA A 28 -61.180 73.313 -12.853 1.00 26.26 C ATOM 219 N THR A 29 -58.433 73.076 -11.468 1.00 25.54 N ATOM 220 CA THR A 29 -57.031 72.698 -11.509 1.00 25.22 C ATOM 221 C THR A 29 -56.721 71.784 -10.327 1.00 23.90 C ATOM 222 O THR A 29 -55.980 70.816 -10.505 1.00 23.69 O ATOM 223 CB THR A 29 -56.170 73.965 -11.466 1.00 26.09 C ATOM 224 OG1 THR A 29 -56.645 74.781 -12.542 1.00 26.79 O ATOM 225 CG2 THR A 29 -54.672 73.700 -11.587 1.00 24.04 C ATOM 226 N ARG A 30 -57.297 71.998 -9.134 1.00 23.25 N ATOM 227 CA ARG A 30 -57.042 71.084 -8.029 1.00 22.41 C ATOM 228 C ARG A 30 -57.536 69.713 -8.415 1.00 22.67 C ATOM 229 O ARG A 30 -56.833 68.727 -8.194 1.00 23.01 O ATOM 230 CB ARG A 30 -57.766 71.456 -6.732 1.00 21.15 C ATOM 231 CG ARG A 30 -57.273 72.733 -6.112 1.00 19.40 C ATOM 232 CD ARG A 30 -57.582 72.827 -4.628 1.00 19.18 C ATOM 233 NE ARG A 30 -58.923 72.399 -4.235 1.00 22.29 N ATOM 234 CZ ARG A 30 -59.979 73.201 -4.249 1.00 21.75 C ATOM 235 NH1 ARG A 30 -59.899 74.462 -4.638 1.00 23.72 N ATOM 236 NH2 ARG A 30 -61.150 72.721 -3.866 1.00 23.65 N ATOM 237 N LYS A 31 -58.694 69.629 -9.068 1.00 22.64 N ATOM 238 CA LYS A 31 -59.230 68.346 -9.495 1.00 25.16 C ATOM 239 C LYS A 31 -58.360 67.676 -10.544 1.00 23.93 C ATOM 240 O LYS A 31 -58.005 66.509 -10.356 1.00 24.29 O ATOM 241 CB LYS A 31 -60.674 68.498 -10.044 1.00 27.06 C ATOM 242 CG LYS A 31 -61.696 68.866 -8.964 1.00 29.64 C ATOM 243 CD LYS A 31 -61.636 67.918 -7.765 1.00 32.04 C ATOM 244 CE LYS A 31 -61.583 68.574 -6.375 1.00 34.96 C ATOM 245 NZ LYS A 31 -60.303 69.111 -5.947 1.00 36.30 N ATOM 246 N VAL A 32 -57.910 68.362 -11.585 1.00 23.50 N ATOM 247 CA VAL A 32 -57.065 67.726 -12.580 1.00 26.38 C ATOM 248 C VAL A 32 -55.749 67.293 -11.921 1.00 28.27 C ATOM 249 O VAL A 32 -55.260 66.168 -12.118 1.00 26.99 O ATOM 250 CB VAL A 32 -56.674 68.654 -13.763 1.00 28.75 C ATOM 251 CG1 VAL A 32 -56.498 67.726 -14.967 1.00 28.95 C ATOM 252 CG2 VAL A 32 -57.707 69.709 -14.109 1.00 29.83 C ATOM 253 N ALA A 33 -55.164 68.160 -11.100 1.00 27.89 N ATOM 254 CA ALA A 33 -53.902 67.862 -10.455 1.00 30.78 C ATOM 255 C ALA A 33 -54.011 66.655 -9.537 1.00 31.44 C ATOM 256 O ALA A 33 -53.154 65.763 -9.559 1.00 33.06 O ATOM 257 CB ALA A 33 -53.451 69.057 -9.639 1.00 30.68 C ATOM 258 N GLY A 34 -55.083 66.558 -8.760 1.00 32.01 N ATOM 259 CA GLY A 34 -55.284 65.441 -7.867 1.00 34.24 C ATOM 260 C GLY A 34 -55.534 64.152 -8.624 1.00 36.14 C ATOM 261 O GLY A 34 -55.308 63.069 -8.097 1.00 37.51 O ATOM 262 N MET A 35 -56.017 64.208 -9.848 1.00 37.71 N ATOM 263 CA MET A 35 -56.200 62.992 -10.618 1.00 39.98 C ATOM 264 C MET A 35 -54.923 62.579 -11.335 1.00 39.36 C ATOM 265 O MET A 35 -54.689 61.394 -11.561 1.00 40.03 O ATOM 266 CB MET A 35 -57.287 63.187 -11.659 1.00 43.73 C ATOM 267 CG MET A 35 -58.670 63.369 -11.043 1.00 48.46 C ATOM 268 SD MET A 35 -59.896 63.872 -12.282 1.00 58.89 S ATOM 269 CE MET A 35 -61.490 64.071 -11.515 1.00 0.00 C ATOM 270 N ALA A 36 -54.093 63.547 -11.708 1.00 38.06 N ATOM 271 CA ALA A 36 -52.922 63.291 -12.517 1.00 36.91 C ATOM 272 C ALA A 36 -51.854 62.364 -11.962 1.00 36.44 C ATOM 273 O ALA A 36 -51.273 61.625 -12.760 1.00 37.79 O ATOM 274 CB ALA A 36 -52.228 64.593 -12.860 1.00 36.54 C ATOM 275 N LYS A 37 -51.511 62.361 -10.669 1.00 34.60 N ATOM 276 CA LYS A 37 -50.422 61.528 -10.138 1.00 33.19 C ATOM 277 C LYS A 37 -49.107 61.442 -10.976 1.00 30.65 C ATOM 278 O LYS A 37 -48.658 60.382 -11.458 1.00 27.97 O ATOM 279 CB LYS A 37 -51.037 60.139 -9.893 1.00 34.32 C ATOM 280 CG LYS A 37 -52.144 60.302 -8.853 1.00 36.48 C ATOM 281 CD LYS A 37 -52.839 58.966 -8.537 1.00 39.08 C ATOM 282 CE LYS A 37 -53.953 59.103 -7.497 1.00 0.00 C ATOM 283 NZ LYS A 37 -54.617 57.827 -7.195 1.00 0.00 N ATOM 284 N PRO A 38 -48.454 62.605 -11.188 1.00 28.79 N ATOM 285 CA PRO A 38 -47.250 62.718 -12.004 1.00 27.43 C ATOM 286 C PRO A 38 -46.061 61.926 -11.485 1.00 26.40 C ATOM 287 O PRO A 38 -46.003 61.644 -10.275 1.00 27.85 O ATOM 288 CB PRO A 38 -46.999 64.208 -12.050 1.00 28.14 C ATOM 289 CG PRO A 38 -47.457 64.698 -10.703 1.00 30.87 C ATOM 290 CD PRO A 38 -48.723 63.874 -10.503 1.00 29.79 C ATOM 291 N ASN A 39 -45.226 61.443 -12.410 1.00 22.98 N ATOM 292 CA ASN A 39 -43.947 60.803 -12.092 1.00 23.06 C ATOM 293 C ASN A 39 -42.938 61.902 -11.770 1.00 22.16 C ATOM 294 O ASN A 39 -43.198 63.049 -12.160 1.00 23.47 O ATOM 295 CB ASN A 39 -43.360 60.042 -13.257 1.00 24.94 C ATOM 296 CG ASN A 39 -43.813 58.620 -13.513 1.00 33.30 C ATOM 297 OD1 ASN A 39 -43.191 57.959 -14.349 1.00 36.68 O ATOM 298 ND2 ASN A 39 -44.831 58.032 -12.890 1.00 34.84 N ATOM 299 N MET A 40 -41.792 61.684 -11.167 1.00 19.00 N ATOM 300 CA MET A 40 -40.812 62.738 -10.958 1.00 17.65 C ATOM 301 C MET A 40 -39.517 62.198 -11.542 1.00 16.27 C ATOM 302 O MET A 40 -39.139 61.067 -11.229 1.00 15.74 O ATOM 303 CB MET A 40 -40.657 62.995 -9.502 1.00 18.73 C ATOM 304 CG MET A 40 -39.912 64.263 -9.287 1.00 21.42 C ATOM 305 SD MET A 40 -39.838 64.650 -7.539 1.00 28.29 S ATOM 306 CE MET A 40 -41.356 65.477 -7.199 1.00 26.47 C ATOM 307 N ILE A 41 -38.826 62.909 -12.436 1.00 14.20 N ATOM 308 CA ILE A 41 -37.581 62.423 -13.018 1.00 13.64 C ATOM 309 C ILE A 41 -36.506 63.417 -12.607 1.00 13.97 C ATOM 310 O ILE A 41 -36.678 64.606 -12.918 1.00 11.77 O ATOM 311 CB ILE A 41 -37.702 62.369 -14.572 1.00 16.23 C ATOM 312 CG1 ILE A 41 -38.928 61.496 -14.950 1.00 16.55 C ATOM 313 CG2 ILE A 41 -36.405 61.796 -15.171 1.00 16.83 C ATOM 314 CD1 ILE A 41 -39.314 61.550 -16.425 1.00 18.05 C ATOM 315 N ILE A 42 -35.420 63.015 -11.945 1.00 10.89 N ATOM 316 CA ILE A 42 -34.400 63.946 -11.505 1.00 9.28 C ATOM 317 C ILE A 42 -33.132 63.515 -12.181 1.00 10.58 C ATOM 318 O ILE A 42 -32.854 62.297 -12.250 1.00 9.39 O ATOM 319 CB ILE A 42 -34.303 63.865 -9.994 1.00 9.63 C ATOM 320 CG1 ILE A 42 -35.658 64.303 -9.413 1.00 11.59 C ATOM 321 CG2 ILE A 42 -33.181 64.752 -9.453 1.00 8.95 C ATOM 322 CD1 ILE A 42 -35.737 64.316 -7.880 1.00 14.50 C ATOM 323 N SER A 43 -32.380 64.455 -12.730 1.00 9.10 N ATOM 324 CA SER A 43 -31.122 64.113 -13.369 1.00 11.05 C ATOM 325 C SER A 43 -30.134 65.260 -13.093 1.00 11.39 C ATOM 326 O SER A 43 -30.545 66.370 -12.710 1.00 13.18 O ATOM 327 CB SER A 43 -31.329 63.933 -14.877 1.00 11.15 C ATOM 328 OG SER A 43 -31.813 65.097 -15.515 1.00 13.96 O ATOM 329 N VAL A 44 -28.827 65.073 -13.190 1.00 10.12 N ATOM 330 CA VAL A 44 -27.847 66.104 -12.875 1.00 8.96 C ATOM 331 C VAL A 44 -26.892 66.104 -14.035 1.00 10.36 C ATOM 332 O VAL A 44 -26.489 65.043 -14.555 1.00 12.00 O ATOM 333 CB VAL A 44 -27.036 65.788 -11.598 1.00 11.15 C ATOM 334 CG1 VAL A 44 -26.111 66.986 -11.331 1.00 15.09 C ATOM 335 CG2 VAL A 44 -27.908 65.615 -10.363 1.00 13.66 C ATOM 336 N ASN A 45 -26.484 67.277 -14.491 1.00 9.15 N ATOM 337 CA ASN A 45 -25.532 67.353 -15.565 1.00 10.15 C ATOM 338 C ASN A 45 -24.637 68.530 -15.223 1.00 11.54 C ATOM 339 O ASN A 45 -25.032 69.698 -15.314 1.00 9.80 O ATOM 340 CB ASN A 45 -26.241 67.595 -16.889 1.00 11.77 C ATOM 341 CG ASN A 45 -25.329 67.511 -18.105 1.00 15.06 C ATOM 342 OD1 ASN A 45 -25.735 67.343 -19.248 1.00 18.52 O ATOM 343 ND2 ASN A 45 -24.039 67.601 -18.040 1.00 16.24 N ATOM 344 N GLY A 46 -23.427 68.229 -14.760 1.00 10.64 N ATOM 345 CA GLY A 46 -22.506 69.274 -14.379 1.00 12.02 C ATOM 346 C GLY A 46 -23.059 69.900 -13.102 1.00 13.07 C ATOM 347 O GLY A 46 -23.395 69.217 -12.128 1.00 13.18 O ATOM 348 N ASP A 47 -23.262 71.208 -13.090 1.00 13.11 N ATOM 349 CA ASP A 47 -23.748 71.767 -11.845 1.00 15.06 C ATOM 350 C ASP A 47 -25.231 72.092 -11.984 1.00 14.12 C ATOM 351 O ASP A 47 -25.788 72.805 -11.160 1.00 14.74 O ATOM 352 CB AASP A 47 -22.948 73.020 -11.490 0.50 14.09 C ATOM 353 CB BASP A 47 -22.909 73.022 -11.541 0.50 18.77 C ATOM 354 CG AASP A 47 -22.966 74.192 -12.453 0.50 13.66 C ATOM 355 CG BASP A 47 -21.393 72.763 -11.498 0.50 22.84 C ATOM 356 OD1AASP A 47 -23.516 74.119 -13.551 0.50 14.14 O ATOM 357 OD1BASP A 47 -20.888 72.313 -10.463 0.50 26.48 O ATOM 358 OD2AASP A 47 -22.401 75.212 -12.065 0.50 15.97 O ATOM 359 OD2BASP A 47 -20.712 73.007 -12.503 0.50 27.17 O ATOM 360 N LEU A 48 -25.894 71.582 -13.018 1.00 12.83 N ATOM 361 CA LEU A 48 -27.304 71.847 -13.237 1.00 13.18 C ATOM 362 C LEU A 48 -28.123 70.630 -12.866 1.00 11.53 C ATOM 363 O LEU A 48 -27.853 69.517 -13.339 1.00 12.87 O ATOM 364 CB LEU A 48 -27.520 72.165 -14.684 1.00 16.27 C ATOM 365 CG LEU A 48 -28.022 73.522 -15.053 1.00 21.71 C ATOM 366 CD1 LEU A 48 -27.626 74.610 -14.059 1.00 19.90 C ATOM 367 CD2 LEU A 48 -27.450 73.773 -16.438 1.00 21.79 C ATOM 368 N VAL A 49 -29.123 70.810 -12.028 1.00 9.78 N ATOM 369 CA VAL A 49 -30.004 69.732 -11.614 1.00 8.29 C ATOM 370 C VAL A 49 -31.323 69.957 -12.358 1.00 10.23 C ATOM 371 O VAL A 49 -31.796 71.123 -12.414 1.00 8.48 O ATOM 372 CB VAL A 49 -30.227 69.818 -10.112 1.00 9.51 C ATOM 373 CG1 VAL A 49 -31.012 68.587 -9.680 1.00 11.01 C ATOM 374 CG2 VAL A 49 -28.928 69.831 -9.329 1.00 10.45 C ATOM 375 N THR A 50 -31.924 68.899 -12.919 1.00 7.79 N ATOM 376 CA THR A 50 -33.200 69.058 -13.598 1.00 8.07 C ATOM 377 C THR A 50 -34.226 68.236 -12.850 1.00 9.14 C ATOM 378 O THR A 50 -33.956 67.081 -12.501 1.00 9.39 O ATOM 379 CB THR A 50 -33.118 68.586 -15.039 1.00 8.30 C ATOM 380 OG1 THR A 50 -32.242 69.491 -15.700 1.00 10.11 O ATOM 381 CG2 THR A 50 -34.441 68.636 -15.771 1.00 8.54 C ATOM 382 N ILE A 51 -35.394 68.818 -12.576 1.00 7.55 N ATOM 383 CA ILE A 51 -36.503 68.068 -11.996 1.00 9.31 C ATOM 384 C ILE A 51 -37.701 68.219 -12.941 1.00 10.30 C ATOM 385 O ILE A 51 -38.188 69.321 -13.202 1.00 8.97 O ATOM 386 CB ILE A 51 -36.891 68.587 -10.593 1.00 8.66 C ATOM 387 CG1 ILE A 51 -35.748 68.447 -9.576 1.00 8.67 C ATOM 388 CG2 ILE A 51 -38.112 67.748 -10.130 1.00 10.83 C ATOM 389 CD1 ILE A 51 -36.104 69.108 -8.251 1.00 10.74 C ATOM 390 N ARG A 52 -38.139 67.108 -13.501 1.00 9.74 N ATOM 391 CA ARG A 52 -39.262 67.066 -14.412 1.00 10.95 C ATOM 392 C ARG A 52 -40.426 66.275 -13.802 1.00 12.38 C ATOM 393 O ARG A 52 -40.241 65.276 -13.104 1.00 12.17 O ATOM 394 CB ARG A 52 -38.734 66.441 -15.669 1.00 12.03 C ATOM 395 CG ARG A 52 -39.749 66.113 -16.675 1.00 14.09 C ATOM 396 CD ARG A 52 -38.967 65.592 -17.844 1.00 17.29 C ATOM 397 NE ARG A 52 -39.989 65.254 -18.802 1.00 21.07 N ATOM 398 CZ ARG A 52 -40.464 66.097 -19.714 1.00 19.69 C ATOM 399 NH1 ARG A 52 -39.975 67.326 -19.893 1.00 24.04 N ATOM 400 NH2 ARG A 52 -41.420 65.665 -20.495 1.00 22.65 N ATOM 401 N SER A 53 -41.654 66.712 -14.025 1.00 11.34 N ATOM 402 CA SER A 53 -42.821 66.056 -13.531 1.00 11.94 C ATOM 403 C SER A 53 -43.595 65.786 -14.812 1.00 13.89 C ATOM 404 O SER A 53 -43.689 66.643 -15.706 1.00 14.66 O ATOM 405 CB SER A 53 -43.545 66.995 -12.628 0.50 10.18 C ATOM 406 OG SER A 53 -44.725 66.380 -12.165 0.50 12.05 O ATOM 407 N GLU A 54 -44.151 64.590 -14.969 1.00 13.59 N ATOM 408 CA GLU A 54 -44.849 64.270 -16.205 1.00 14.53 C ATOM 409 C GLU A 54 -46.196 63.682 -15.874 1.00 15.37 C ATOM 410 O GLU A 54 -46.312 62.826 -14.977 1.00 14.43 O ATOM 411 CB GLU A 54 -44.160 63.223 -17.051 1.00 16.68 C ATOM 412 CG GLU A 54 -42.726 63.515 -17.428 1.00 19.52 C ATOM 413 CD GLU A 54 -42.135 62.444 -18.323 1.00 22.75 C ATOM 414 OE1 GLU A 54 -42.372 61.243 -18.164 1.00 24.33 O ATOM 415 OE2 GLU A 54 -41.420 62.827 -19.229 1.00 26.07 O ATOM 416 N SER A 55 -47.200 64.156 -16.574 1.00 15.61 N ATOM 417 CA SER A 55 -48.514 63.608 -16.412 1.00 18.91 C ATOM 418 C SER A 55 -49.247 63.846 -17.738 1.00 20.45 C ATOM 419 O SER A 55 -48.759 64.465 -18.688 1.00 19.43 O ATOM 420 CB SER A 55 -49.188 64.314 -15.239 1.00 18.17 C ATOM 421 OG SER A 55 -49.844 65.549 -15.525 1.00 21.49 O ATOM 422 N THR A 56 -50.468 63.341 -17.791 1.00 24.51 N ATOM 423 CA THR A 56 -51.380 63.587 -18.895 1.00 28.04 C ATOM 424 C THR A 56 -51.788 65.076 -18.937 1.00 27.80 C ATOM 425 O THR A 56 -51.857 65.688 -20.004 1.00 30.19 O ATOM 426 CB THR A 56 -52.577 62.615 -18.663 1.00 28.52 C ATOM 427 OG1 THR A 56 -52.988 62.650 -17.277 1.00 32.99 O ATOM 428 CG2 THR A 56 -52.154 61.201 -19.023 1.00 30.99 C ATOM 429 N PHE A 57 -52.017 65.675 -17.766 1.00 29.03 N ATOM 430 CA PHE A 57 -52.428 67.064 -17.627 1.00 30.37 C ATOM 431 C PHE A 57 -51.302 67.976 -18.071 1.00 29.61 C ATOM 432 O PHE A 57 -51.447 68.655 -19.087 1.00 28.66 O ATOM 433 CB PHE A 57 -52.806 67.385 -16.146 1.00 34.54 C ATOM 434 CG PHE A 57 -53.083 68.862 -15.726 1.00 38.76 C ATOM 435 CD1 PHE A 57 -53.937 69.703 -16.451 1.00 39.98 C ATOM 436 CD2 PHE A 57 -52.470 69.378 -14.579 1.00 40.18 C ATOM 437 CE1 PHE A 57 -54.165 71.010 -16.036 1.00 40.80 C ATOM 438 CE2 PHE A 57 -52.704 70.687 -14.174 1.00 40.62 C ATOM 439 CZ PHE A 57 -53.556 71.502 -14.895 1.00 40.94 C ATOM 440 N LYS A 58 -50.182 67.981 -17.337 1.00 27.45 N ATOM 441 CA LYS A 58 -49.091 68.892 -17.613 1.00 26.53 C ATOM 442 C LYS A 58 -47.794 68.206 -17.320 1.00 22.78 C ATOM 443 O LYS A 58 -47.730 67.377 -16.417 1.00 21.26 O ATOM 444 CB LYS A 58 -49.071 70.112 -16.727 1.00 31.19 C ATOM 445 CG LYS A 58 -50.100 71.106 -17.121 1.00 36.25 C ATOM 446 CD LYS A 58 -49.772 72.388 -16.428 1.00 39.18 C ATOM 447 CE LYS A 58 -50.754 73.367 -17.024 1.00 40.30 C ATOM 448 NZ LYS A 58 -50.207 74.693 -16.902 1.00 42.98 N ATOM 449 N ASN A 59 -46.809 68.584 -18.097 1.00 19.27 N ATOM 450 CA ASN A 59 -45.427 68.207 -17.836 1.00 19.42 C ATOM 451 C ASN A 59 -44.793 69.490 -17.328 1.00 19.78 C ATOM 452 O ASN A 59 -45.177 70.570 -17.812 1.00 20.98 O ATOM 453 CB ASN A 59 -44.682 67.758 -19.105 1.00 17.48 C ATOM 454 CG ASN A 59 -45.159 66.412 -19.613 1.00 18.82 C ATOM 455 OD1 ASN A 59 -45.910 65.671 -18.963 1.00 17.32 O ATOM 456 ND2 ASN A 59 -44.741 66.000 -20.791 1.00 22.60 N ATOM 457 N THR A 60 -43.936 69.466 -16.307 1.00 16.10 N ATOM 458 CA THR A 60 -43.240 70.675 -15.887 1.00 15.20 C ATOM 459 C THR A 60 -41.772 70.288 -15.863 1.00 14.86 C ATOM 460 O THR A 60 -41.442 69.096 -15.797 1.00 12.84 O ATOM 461 CB THR A 60 -43.635 71.188 -14.463 1.00 16.37 C ATOM 462 OG1 THR A 60 -43.370 70.162 -13.530 1.00 18.85 O ATOM 463 CG2 THR A 60 -45.096 71.587 -14.374 1.00 18.91 C ATOM 464 N GLU A 61 -40.895 71.273 -15.920 1.00 13.00 N ATOM 465 CA GLU A 61 -39.497 70.992 -15.875 1.00 14.53 C ATOM 466 C GLU A 61 -38.811 72.254 -15.409 1.00 14.82 C ATOM 467 O GLU A 61 -39.152 73.345 -15.873 1.00 14.85 O ATOM 468 CB GLU A 61 -39.029 70.600 -17.250 1.00 16.85 C ATOM 469 CG GLU A 61 -37.604 70.160 -17.210 1.00 23.56 C ATOM 470 CD GLU A 61 -37.183 69.598 -18.541 1.00 27.06 C ATOM 471 OE1 GLU A 61 -37.487 68.441 -18.797 1.00 31.29 O ATOM 472 OE2 GLU A 61 -36.569 70.321 -19.319 1.00 30.63 O ATOM 473 N ILE A 62 -37.909 72.101 -14.438 1.00 12.10 N ATOM 474 CA ILE A 62 -37.060 73.182 -13.973 1.00 11.90 C ATOM 475 C ILE A 62 -35.616 72.659 -14.035 1.00 11.05 C ATOM 476 O ILE A 62 -35.372 71.482 -13.737 1.00 9.96 O ATOM 477 CB ILE A 62 -37.407 73.619 -12.515 1.00 9.66 C ATOM 478 CG1 ILE A 62 -37.508 72.460 -11.543 1.00 9.81 C ATOM 479 CG2 ILE A 62 -38.712 74.433 -12.605 1.00 12.69 C ATOM 480 CD1 ILE A 62 -37.633 72.860 -10.055 1.00 13.97 C ATOM 481 N SER A 63 -34.664 73.505 -14.418 1.00 10.84 N ATOM 482 CA SER A 63 -33.246 73.195 -14.396 1.00 10.48 C ATOM 483 C SER A 63 -32.663 74.372 -13.646 1.00 11.65 C ATOM 484 O SER A 63 -33.009 75.540 -13.910 1.00 11.84 O ATOM 485 CB SER A 63 -32.601 73.159 -15.770 1.00 12.15 C ATOM 486 OG SER A 63 -33.091 72.027 -16.476 1.00 17.19 O ATOM 487 N PHE A 64 -31.758 74.075 -12.716 1.00 9.23 N ATOM 488 CA PHE A 64 -31.254 75.079 -11.803 1.00 9.93 C ATOM 489 C PHE A 64 -29.898 74.703 -11.238 1.00 9.71 C ATOM 490 O PHE A 64 -29.496 73.540 -11.261 1.00 10.11 O ATOM 491 CB PHE A 64 -32.231 75.262 -10.620 1.00 9.42 C ATOM 492 CG PHE A 64 -32.580 73.979 -9.865 1.00 8.48 C ATOM 493 CD1 PHE A 64 -33.626 73.180 -10.337 1.00 11.75 C ATOM 494 CD2 PHE A 64 -31.828 73.546 -8.780 1.00 9.91 C ATOM 495 CE1 PHE A 64 -33.924 71.985 -9.706 1.00 10.30 C ATOM 496 CE2 PHE A 64 -32.151 72.341 -8.164 1.00 9.50 C ATOM 497 CZ PHE A 64 -33.190 71.551 -8.636 1.00 10.47 C ATOM 498 N LYS A 65 -29.222 75.709 -10.708 1.00 9.60 N ATOM 499 CA LYS A 65 -27.997 75.502 -9.984 1.00 9.52 C ATOM 500 C LYS A 65 -28.390 75.648 -8.512 1.00 10.34 C ATOM 501 O LYS A 65 -29.170 76.558 -8.173 1.00 10.54 O ATOM 502 CB LYS A 65 -26.987 76.582 -10.439 1.00 13.23 C ATOM 503 CG LYS A 65 -25.563 76.467 -9.826 1.00 16.84 C ATOM 504 CD LYS A 65 -24.612 77.562 -10.314 1.00 0.00 C ATOM 505 CE LYS A 65 -23.210 77.448 -9.711 1.00 0.00 C ATOM 506 NZ LYS A 65 -22.297 78.500 -10.179 1.00 0.00 N ATOM 507 N LEU A 66 -27.916 74.825 -7.573 1.00 7.71 N ATOM 508 CA LEU A 66 -28.261 74.968 -6.180 1.00 8.32 C ATOM 509 C LEU A 66 -27.717 76.275 -5.591 1.00 9.72 C ATOM 510 O LEU A 66 -26.522 76.560 -5.714 1.00 11.04 O ATOM 511 CB LEU A 66 -27.705 73.796 -5.392 1.00 9.47 C ATOM 512 CG LEU A 66 -28.361 72.438 -5.703 1.00 12.94 C ATOM 513 CD1 LEU A 66 -27.430 71.294 -5.311 1.00 12.41 C ATOM 514 CD2 LEU A 66 -29.698 72.357 -4.970 1.00 10.96 C ATOM 515 N GLY A 67 -28.570 77.101 -5.022 1.00 8.17 N ATOM 516 CA GLY A 67 -28.187 78.366 -4.422 1.00 7.99 C ATOM 517 C GLY A 67 -28.414 79.561 -5.328 1.00 9.10 C ATOM 518 O GLY A 67 -28.234 80.698 -4.863 1.00 10.98 O ATOM 519 N VAL A 68 -28.835 79.417 -6.595 1.00 8.94 N ATOM 520 CA VAL A 68 -29.032 80.544 -7.496 1.00 9.57 C ATOM 521 C VAL A 68 -30.523 80.731 -7.720 1.00 10.22 C ATOM 522 O VAL A 68 -31.143 79.779 -8.195 1.00 12.04 O ATOM 523 CB VAL A 68 -28.337 80.301 -8.869 1.00 10.68 C ATOM 524 CG1 VAL A 68 -28.523 81.467 -9.840 1.00 13.39 C ATOM 525 CG2 VAL A 68 -26.840 80.166 -8.624 1.00 12.82 C ATOM 526 N GLU A 69 -31.103 81.886 -7.411 1.00 9.40 N ATOM 527 CA GLU A 69 -32.536 82.131 -7.584 1.00 9.41 C ATOM 528 C GLU A 69 -32.953 82.100 -9.055 1.00 9.47 C ATOM 529 O GLU A 69 -32.209 82.546 -9.942 1.00 11.00 O ATOM 530 CB GLU A 69 -32.863 83.479 -6.969 1.00 9.83 C ATOM 531 CG GLU A 69 -34.355 83.746 -6.985 1.00 9.76 C ATOM 532 CD GLU A 69 -34.689 85.087 -6.386 1.00 12.48 C ATOM 533 OE1 GLU A 69 -34.360 86.082 -7.009 1.00 14.45 O ATOM 534 OE2 GLU A 69 -35.275 85.143 -5.309 1.00 15.85 O ATOM 535 N PHE A 70 -34.111 81.568 -9.449 1.00 9.40 N ATOM 536 CA PHE A 70 -34.468 81.496 -10.876 1.00 8.51 C ATOM 537 C PHE A 70 -35.983 81.644 -10.961 1.00 8.15 C ATOM 538 O PHE A 70 -36.688 81.532 -9.949 1.00 8.77 O ATOM 539 CB PHE A 70 -34.045 80.133 -11.513 1.00 7.01 C ATOM 540 CG PHE A 70 -34.625 78.892 -10.858 1.00 8.66 C ATOM 541 CD1 PHE A 70 -34.150 78.431 -9.652 1.00 9.26 C ATOM 542 CD2 PHE A 70 -35.676 78.215 -11.470 1.00 11.60 C ATOM 543 CE1 PHE A 70 -34.708 77.323 -9.038 1.00 11.73 C ATOM 544 CE2 PHE A 70 -36.233 77.104 -10.855 1.00 10.30 C ATOM 545 CZ PHE A 70 -35.755 76.661 -9.645 1.00 10.60 C ATOM 546 N ASP A 71 -36.447 81.893 -12.166 1.00 8.83 N ATOM 547 CA ASP A 71 -37.889 81.976 -12.440 1.00 11.25 C ATOM 548 C ASP A 71 -38.485 80.596 -12.733 1.00 9.89 C ATOM 549 O ASP A 71 -37.924 79.837 -13.545 1.00 10.92 O ATOM 550 CB ASP A 71 -38.135 82.849 -13.642 1.00 9.98 C ATOM 551 CG ASP A 71 -37.596 84.230 -13.361 1.00 12.37 C ATOM 552 OD1 ASP A 71 -38.168 84.928 -12.535 1.00 12.01 O ATOM 553 OD2 ASP A 71 -36.593 84.572 -13.981 1.00 15.38 O ATOM 554 N GLU A 72 -39.619 80.275 -12.132 1.00 10.53 N ATOM 555 CA GLU A 72 -40.290 79.002 -12.320 1.00 10.70 C ATOM 556 C GLU A 72 -41.763 79.283 -12.619 1.00 11.16 C ATOM 557 O GLU A 72 -42.304 80.197 -12.001 1.00 10.75 O ATOM 558 CB GLU A 72 -40.184 78.183 -11.052 1.00 8.60 C ATOM 559 CG GLU A 72 -41.056 76.949 -11.113 1.00 8.20 C ATOM 560 CD GLU A 72 -40.988 76.080 -9.883 1.00 11.32 C ATOM 561 OE1 GLU A 72 -40.379 76.443 -8.878 1.00 12.00 O ATOM 562 OE2 GLU A 72 -41.585 75.004 -9.903 1.00 14.08 O ATOM 563 N ILE A 73 -42.419 78.571 -13.541 1.00 12.83 N ATOM 564 CA ILE A 73 -43.857 78.680 -13.717 1.00 15.26 C ATOM 565 C ILE A 73 -44.380 77.350 -13.215 1.00 15.18 C ATOM 566 O ILE A 73 -43.955 76.292 -13.686 1.00 17.15 O ATOM 567 CB ILE A 73 -44.262 78.876 -15.180 1.00 20.04 C ATOM 568 CG1 ILE A 73 -43.801 80.269 -15.632 1.00 21.56 C ATOM 569 CG2 ILE A 73 -45.806 78.853 -15.322 1.00 19.95 C ATOM 570 CD1 ILE A 73 -43.787 80.430 -17.155 1.00 24.88 C ATOM 571 N THR A 74 -45.214 77.359 -12.195 1.00 13.23 N ATOM 572 CA THR A 74 -45.691 76.118 -11.593 1.00 15.28 C ATOM 573 C THR A 74 -46.785 75.450 -12.438 1.00 16.09 C ATOM 574 O THR A 74 -47.372 76.074 -13.342 1.00 16.04 O ATOM 575 CB THR A 74 -46.204 76.423 -10.188 1.00 12.67 C ATOM 576 OG1 THR A 74 -47.327 77.306 -10.333 1.00 14.50 O ATOM 577 CG2 THR A 74 -45.193 77.172 -9.344 1.00 14.04 C ATOM 578 N ALA A 75 -47.113 74.189 -12.143 1.00 19.27 N ATOM 579 CA ALA A 75 -48.172 73.443 -12.841 1.00 21.04 C ATOM 580 C ALA A 75 -49.517 74.195 -12.783 1.00 21.39 C ATOM 581 O ALA A 75 -50.289 74.263 -13.733 1.00 23.73 O ATOM 582 CB ALA A 75 -48.279 72.095 -12.168 1.00 17.73 C ATOM 583 N ASP A 76 -49.808 74.881 -11.682 1.00 21.04 N ATOM 584 CA ASP A 76 -51.041 75.633 -11.515 1.00 20.73 C ATOM 585 C ASP A 76 -50.889 77.055 -12.025 1.00 21.83 C ATOM 586 O ASP A 76 -51.676 77.958 -11.710 1.00 23.31 O ATOM 587 CB ASP A 76 -51.396 75.599 -10.035 1.00 20.51 C ATOM 588 CG ASP A 76 -50.357 76.225 -9.115 1.00 20.45 C ATOM 589 OD1 ASP A 76 -49.248 75.696 -8.959 1.00 21.16 O ATOM 590 OD2 ASP A 76 -50.673 77.258 -8.539 1.00 19.65 O ATOM 591 N ASP A 77 -49.829 77.273 -12.811 1.00 22.73 N ATOM 592 CA ASP A 77 -49.542 78.502 -13.495 1.00 25.04 C ATOM 593 C ASP A 77 -49.249 79.711 -12.655 1.00 24.17 C ATOM 594 O ASP A 77 -49.642 80.832 -12.963 1.00 26.51 O ATOM 595 CB ASP A 77 -50.696 78.809 -14.458 1.00 31.00 C ATOM 596 CG ASP A 77 -50.848 77.662 -15.443 1.00 36.14 C ATOM 597 OD1 ASP A 77 -49.933 77.489 -16.259 1.00 40.59 O ATOM 598 OD2 ASP A 77 -51.847 76.924 -15.355 1.00 39.73 O ATOM 599 N ARG A 78 -48.592 79.543 -11.528 1.00 21.24 N ATOM 600 CA ARG A 78 -48.106 80.727 -10.834 1.00 18.52 C ATOM 601 C ARG A 78 -46.718 81.032 -11.423 1.00 18.17 C ATOM 602 O ARG A 78 -46.015 80.117 -11.847 1.00 16.93 O ATOM 603 CB ARG A 78 -47.989 80.463 -9.364 1.00 15.33 C ATOM 604 CG ARG A 78 -49.277 80.459 -8.551 1.00 16.05 C ATOM 605 CD ARG A 78 -48.959 79.990 -7.119 1.00 16.23 C ATOM 606 NE ARG A 78 -48.579 78.583 -7.149 1.00 15.96 N ATOM 607 CZ ARG A 78 -47.606 77.988 -6.465 1.00 15.83 C ATOM 608 NH1 ARG A 78 -46.774 78.620 -5.632 1.00 14.12 N ATOM 609 NH2 ARG A 78 -47.477 76.681 -6.685 1.00 15.80 N ATOM 610 N LYS A 79 -46.235 82.267 -11.471 1.00 19.05 N ATOM 611 CA LYS A 79 -44.904 82.556 -11.960 1.00 19.03 C ATOM 612 C LYS A 79 -44.207 82.953 -10.660 1.00 17.62 C ATOM 613 O LYS A 79 -44.632 83.898 -9.971 1.00 16.64 O ATOM 614 CB LYS A 79 -45.068 83.669 -12.952 1.00 24.42 C ATOM 615 CG LYS A 79 -43.803 84.119 -13.674 1.00 30.85 C ATOM 616 CD LYS A 79 -44.150 84.463 -15.140 1.00 34.96 C ATOM 617 CE LYS A 79 -45.447 85.286 -15.304 1.00 37.32 C ATOM 618 NZ LYS A 79 -45.755 85.534 -16.707 1.00 39.91 N ATOM 619 N VAL A 80 -43.185 82.200 -10.245 1.00 13.59 N ATOM 620 CA VAL A 80 -42.598 82.372 -8.925 1.00 11.92 C ATOM 621 C VAL A 80 -41.087 82.503 -9.065 1.00 9.36 C ATOM 622 O VAL A 80 -40.514 82.223 -10.117 1.00 10.80 O ATOM 623 CB VAL A 80 -42.919 81.141 -7.970 1.00 12.96 C ATOM 624 CG1 VAL A 80 -44.435 80.925 -7.835 1.00 12.98 C ATOM 625 CG2 VAL A 80 -42.271 79.852 -8.547 1.00 10.55 C ATOM 626 N LYS A 81 -40.495 82.976 -7.985 1.00 8.52 N ATOM 627 CA LYS A 81 -39.048 83.000 -7.873 1.00 8.96 C ATOM 628 C LYS A 81 -38.695 81.832 -6.953 1.00 7.75 C ATOM 629 O LYS A 81 -39.201 81.728 -5.826 1.00 8.44 O ATOM 630 CB LYS A 81 -38.530 84.275 -7.198 1.00 10.97 C ATOM 631 CG LYS A 81 -38.697 85.575 -7.948 1.00 13.07 C ATOM 632 CD LYS A 81 -37.884 85.645 -9.199 1.00 10.20 C ATOM 633 CE LYS A 81 -38.118 87.013 -9.805 1.00 12.09 C ATOM 634 NZ LYS A 81 -37.479 87.118 -11.100 1.00 9.98 N ATOM 635 N SER A 82 -37.827 80.939 -7.413 1.00 8.82 N ATOM 636 CA SER A 82 -37.423 79.803 -6.618 1.00 8.12 C ATOM 637 C SER A 82 -35.933 79.778 -6.325 1.00 6.77 C ATOM 638 O SER A 82 -35.126 80.208 -7.158 1.00 8.07 O ATOM 639 CB SER A 82 -37.770 78.516 -7.344 1.00 8.83 C ATOM 640 OG SER A 82 -39.188 78.368 -7.330 1.00 12.28 O ATOM 641 N ILE A 83 -35.620 79.233 -5.167 1.00 6.44 N ATOM 642 CA ILE A 83 -34.224 78.931 -4.824 1.00 8.33 C ATOM 643 C ILE A 83 -34.180 77.552 -4.148 1.00 7.99 C ATOM 644 O ILE A 83 -35.033 77.238 -3.304 1.00 9.25 O ATOM 645 CB ILE A 83 -33.656 80.046 -3.913 1.00 9.14 C ATOM 646 CG1 ILE A 83 -32.172 79.744 -3.749 1.00 12.37 C ATOM 647 CG2 ILE A 83 -34.333 80.112 -2.564 1.00 12.59 C ATOM 648 CD1 ILE A 83 -31.405 80.993 -3.294 1.00 15.70 C ATOM 649 N ILE A 84 -33.266 76.680 -4.585 1.00 8.12 N ATOM 650 CA ILE A 84 -33.152 75.344 -4.025 1.00 7.76 C ATOM 651 C ILE A 84 -31.725 75.159 -3.492 1.00 9.23 C ATOM 652 O ILE A 84 -30.743 75.454 -4.188 1.00 8.62 O ATOM 653 CB ILE A 84 -33.454 74.310 -5.121 1.00 8.74 C ATOM 654 CG1 ILE A 84 -34.839 74.592 -5.742 1.00 9.68 C ATOM 655 CG2 ILE A 84 -33.396 72.900 -4.497 1.00 8.27 C ATOM 656 CD1 ILE A 84 -35.356 73.602 -6.804 1.00 11.58 C ATOM 657 N THR A 85 -31.592 74.728 -2.260 1.00 8.60 N ATOM 658 CA THR A 85 -30.286 74.496 -1.648 1.00 10.89 C ATOM 659 C THR A 85 -30.230 73.042 -1.135 1.00 11.66 C ATOM 660 O THR A 85 -31.272 72.368 -0.997 1.00 13.35 O ATOM 661 CB THR A 85 -30.054 75.519 -0.464 1.00 7.60 C ATOM 662 OG1 THR A 85 -31.119 75.406 0.443 1.00 9.05 O ATOM 663 CG2 THR A 85 -30.022 76.972 -0.918 1.00 7.97 C ATOM 664 N LEU A 86 -29.037 72.525 -0.871 1.00 10.93 N ATOM 665 CA LEU A 86 -28.851 71.169 -0.336 1.00 12.10 C ATOM 666 C LEU A 86 -28.485 71.321 1.129 1.00 10.97 C ATOM 667 O LEU A 86 -27.422 71.873 1.458 1.00 11.38 O ATOM 668 CB LEU A 86 -27.726 70.459 -1.139 1.00 12.16 C ATOM 669 CG LEU A 86 -27.392 69.012 -0.840 1.00 15.10 C ATOM 670 CD1 LEU A 86 -28.603 68.148 -1.083 1.00 15.19 C ATOM 671 CD2 LEU A 86 -26.289 68.547 -1.767 1.00 16.49 C ATOM 672 N ASP A 87 -29.367 70.871 2.003 1.00 10.15 N ATOM 673 CA ASP A 87 -29.220 71.047 3.413 1.00 11.07 C ATOM 674 C ASP A 87 -29.548 69.769 4.139 1.00 12.77 C ATOM 675 O ASP A 87 -30.669 69.242 4.067 1.00 11.91 O ATOM 676 CB ASP A 87 -30.159 72.118 3.918 1.00 13.14 C ATOM 677 CG ASP A 87 -29.881 73.502 3.378 1.00 13.68 C ATOM 678 OD1 ASP A 87 -28.766 73.968 3.514 1.00 18.72 O ATOM 679 OD2 ASP A 87 -30.783 74.106 2.837 1.00 15.22 O ATOM 680 N GLY A 88 -28.557 69.215 4.839 1.00 14.54 N ATOM 681 CA GLY A 88 -28.780 68.012 5.631 1.00 15.89 C ATOM 682 C GLY A 88 -29.173 66.826 4.761 1.00 15.76 C ATOM 683 O GLY A 88 -29.956 65.970 5.179 1.00 18.42 O ATOM 684 N GLY A 89 -28.686 66.827 3.525 1.00 14.15 N ATOM 685 CA GLY A 89 -28.975 65.776 2.589 1.00 15.10 C ATOM 686 C GLY A 89 -30.371 65.916 1.967 1.00 14.05 C ATOM 687 O GLY A 89 -30.779 65.010 1.252 1.00 14.95 O ATOM 688 N ALA A 90 -31.122 66.996 2.188 1.00 12.12 N ATOM 689 CA ALA A 90 -32.429 67.193 1.562 1.00 9.86 C ATOM 690 C ALA A 90 -32.352 68.372 0.594 1.00 11.06 C ATOM 691 O ALA A 90 -31.520 69.269 0.789 1.00 10.28 O ATOM 692 CB ALA A 90 -33.438 67.516 2.603 1.00 9.39 C ATOM 693 N LEU A 91 -33.133 68.399 -0.475 1.00 8.81 N ATOM 694 CA LEU A 91 -33.189 69.544 -1.377 1.00 9.39 C ATOM 695 C LEU A 91 -34.271 70.436 -0.766 1.00 9.63 C ATOM 696 O LEU A 91 -35.395 69.966 -0.542 1.00 11.55 O ATOM 697 CB LEU A 91 -33.592 69.085 -2.786 1.00 10.38 C ATOM 698 CG LEU A 91 -32.559 68.280 -3.558 1.00 10.19 C ATOM 699 CD1 LEU A 91 -33.127 67.628 -4.814 1.00 11.28 C ATOM 700 CD2 LEU A 91 -31.502 69.275 -4.017 1.00 11.96 C ATOM 701 N VAL A 92 -34.002 71.685 -0.388 1.00 8.58 N ATOM 702 CA VAL A 92 -35.021 72.528 0.223 1.00 7.62 C ATOM 703 C VAL A 92 -35.300 73.648 -0.766 1.00 9.33 C ATOM 704 O VAL A 92 -34.379 74.406 -1.092 1.00 8.18 O ATOM 705 CB VAL A 92 -34.512 73.120 1.530 1.00 9.30 C ATOM 706 CG1 VAL A 92 -35.601 74.014 2.127 1.00 8.40 C ATOM 707 CG2 VAL A 92 -34.075 71.993 2.471 1.00 8.99 C ATOM 708 N GLN A 93 -36.539 73.802 -1.245 1.00 7.58 N ATOM 709 CA GLN A 93 -36.960 74.798 -2.218 1.00 7.80 C ATOM 710 C GLN A 93 -37.891 75.796 -1.564 1.00 9.78 C ATOM 711 O GLN A 93 -38.857 75.410 -0.869 1.00 8.82 O ATOM 712 CB GLN A 93 -37.708 74.154 -3.356 1.00 8.85 C ATOM 713 CG GLN A 93 -38.320 75.157 -4.319 1.00 8.50 C ATOM 714 CD GLN A 93 -38.826 74.524 -5.584 1.00 12.05 C ATOM 715 OE1 GLN A 93 -39.069 73.312 -5.717 1.00 13.87 O ATOM 716 NE2 GLN A 93 -39.054 75.342 -6.595 1.00 12.54 N ATOM 717 N VAL A 94 -37.614 77.079 -1.831 1.00 8.09 N ATOM 718 CA VAL A 94 -38.517 78.120 -1.363 1.00 9.56 C ATOM 719 C VAL A 94 -39.042 78.799 -2.617 1.00 7.82 C ATOM 720 O VAL A 94 -38.245 79.074 -3.522 1.00 7.68 O ATOM 721 CB VAL A 94 -37.775 79.114 -0.444 1.00 10.45 C ATOM 722 CG1 VAL A 94 -38.765 80.202 -0.034 1.00 13.10 C ATOM 723 CG2 VAL A 94 -37.282 78.431 0.853 1.00 11.90 C ATOM 724 N GLN A 95 -40.372 78.959 -2.731 1.00 7.64 N ATOM 725 CA GLN A 95 -40.954 79.644 -3.872 1.00 7.67 C ATOM 726 C GLN A 95 -41.619 80.886 -3.293 1.00 9.05 C ATOM 727 O GLN A 95 -42.309 80.816 -2.273 1.00 8.74 O ATOM 728 CB GLN A 95 -42.036 78.868 -4.561 1.00 10.89 C ATOM 729 CG GLN A 95 -41.650 77.595 -5.278 1.00 11.55 C ATOM 730 CD GLN A 95 -42.872 76.886 -5.849 1.00 11.72 C ATOM 731 OE1 GLN A 95 -44.015 76.989 -5.381 1.00 12.58 O ATOM 732 NE2 GLN A 95 -42.636 76.137 -6.908 1.00 9.76 N ATOM 733 N LYS A 96 -41.391 82.045 -3.905 1.00 10.65 N ATOM 734 CA LYS A 96 -41.941 83.327 -3.452 1.00 10.72 C ATOM 735 C LYS A 96 -42.701 83.976 -4.583 1.00 10.89 C ATOM 736 O LYS A 96 -42.188 83.993 -5.731 1.00 10.91 O ATOM 737 CB LYS A 96 -40.882 84.294 -3.107 1.00 11.51 C ATOM 738 CG LYS A 96 -40.078 83.861 -1.956 1.00 16.22 C ATOM 739 CD LYS A 96 -38.920 84.845 -1.914 1.00 22.33 C ATOM 740 CE LYS A 96 -38.292 84.814 -0.514 1.00 26.05 C ATOM 741 NZ LYS A 96 -37.157 85.738 -0.373 1.00 0.00 N ATOM 742 N TRP A 97 -43.916 84.505 -4.333 1.00 12.21 N ATOM 743 CA TRP A 97 -44.689 85.203 -5.391 1.00 12.50 C ATOM 744 C TRP A 97 -45.711 86.063 -4.661 1.00 13.28 C ATOM 745 O TRP A 97 -46.187 85.667 -3.591 1.00 11.66 O ATOM 746 CB TRP A 97 -45.441 84.229 -6.344 1.00 12.18 C ATOM 747 CG TRP A 97 -46.581 83.439 -5.720 1.00 12.53 C ATOM 748 CD1 TRP A 97 -47.872 83.741 -6.076 1.00 13.31 C ATOM 749 CD2 TRP A 97 -46.508 82.500 -4.716 1.00 13.03 C ATOM 750 NE1 TRP A 97 -48.619 83.019 -5.283 1.00 13.72 N ATOM 751 CE2 TRP A 97 -47.851 82.272 -4.473 1.00 13.83 C ATOM 752 CE3 TRP A 97 -45.564 81.812 -3.987 1.00 14.17 C ATOM 753 CZ2 TRP A 97 -48.270 81.396 -3.496 1.00 13.35 C ATOM 754 CZ3 TRP A 97 -45.977 80.937 -3.009 1.00 12.30 C ATOM 755 CH2 TRP A 97 -47.308 80.726 -2.779 1.00 12.52 C ATOM 756 N ASP A 98 -46.005 87.281 -5.164 1.00 16.77 N ATOM 757 CA ASP A 98 -46.973 88.212 -4.551 1.00 17.63 C ATOM 758 C ASP A 98 -46.859 88.400 -3.065 1.00 15.93 C ATOM 759 O ASP A 98 -47.865 88.482 -2.353 1.00 18.03 O ATOM 760 CB ASP A 98 -48.429 87.795 -4.786 1.00 24.26 C ATOM 761 CG ASP A 98 -48.889 87.381 -6.177 1.00 31.86 C ATOM 762 OD1 ASP A 98 -48.201 87.643 -7.175 1.00 35.44 O ATOM 763 OD2 ASP A 98 -49.966 86.768 -6.243 1.00 36.61 O ATOM 764 N GLY A 99 -45.659 88.443 -2.503 1.00 13.33 N ATOM 765 CA GLY A 99 -45.499 88.612 -1.071 1.00 14.87 C ATOM 766 C GLY A 99 -45.741 87.331 -0.263 1.00 16.47 C ATOM 767 O GLY A 99 -45.693 87.333 0.968 1.00 18.59 O ATOM 768 N LYS A 100 -45.958 86.189 -0.902 1.00 17.04 N ATOM 769 CA LYS A 100 -46.188 84.921 -0.203 1.00 16.14 C ATOM 770 C LYS A 100 -44.983 84.025 -0.410 1.00 13.36 C ATOM 771 O LYS A 100 -44.159 84.241 -1.309 1.00 11.99 O ATOM 772 CB LYS A 100 -47.401 84.230 -0.775 1.00 17.41 C ATOM 773 CG LYS A 100 -48.682 85.003 -0.518 1.00 23.39 C ATOM 774 CD LYS A 100 -49.594 84.554 -1.647 1.00 28.65 C ATOM 775 CE LYS A 100 -50.549 85.676 -2.038 1.00 32.89 C ATOM 776 NZ LYS A 100 -51.013 85.522 -3.417 1.00 37.51 N ATOM 777 N SER A 101 -44.891 82.973 0.380 1.00 13.99 N ATOM 778 CA SER A 101 -43.861 81.978 0.127 1.00 14.30 C ATOM 779 C SER A 101 -44.365 80.598 0.564 1.00 12.18 C ATOM 780 O SER A 101 -45.254 80.520 1.419 1.00 12.23 O ATOM 781 CB SER A 101 -42.577 82.363 0.889 1.00 12.40 C ATOM 782 OG SER A 101 -42.748 82.208 2.281 1.00 20.07 O ATOM 783 N THR A 102 -43.845 79.513 -0.015 1.00 11.46 N ATOM 784 CA THR A 102 -44.143 78.129 0.381 1.00 10.24 C ATOM 785 C THR A 102 -42.813 77.373 0.337 1.00 11.22 C ATOM 786 O THR A 102 -41.920 77.780 -0.428 1.00 10.34 O ATOM 787 CB THR A 102 -45.198 77.553 -0.610 1.00 11.25 C ATOM 788 OG1 THR A 102 -45.496 76.262 -0.101 1.00 12.14 O ATOM 789 CG2 THR A 102 -44.777 77.510 -2.067 1.00 9.74 C ATOM 790 N THR A 103 -42.622 76.343 1.161 1.00 11.26 N ATOM 791 CA THR A 103 -41.394 75.544 1.145 1.00 11.80 C ATOM 792 C THR A 103 -41.733 74.136 0.669 1.00 11.13 C ATOM 793 O THR A 103 -42.767 73.595 1.071 1.00 11.24 O ATOM 794 CB THR A 103 -40.798 75.468 2.535 1.00 13.51 C ATOM 795 OG1 THR A 103 -40.567 76.815 2.941 1.00 18.87 O ATOM 796 CG2 THR A 103 -39.448 74.748 2.582 1.00 15.75 C ATOM 797 N ILE A 104 -40.933 73.577 -0.237 1.00 10.49 N ATOM 798 CA ILE A 104 -41.079 72.211 -0.737 1.00 9.44 C ATOM 799 C ILE A 104 -39.744 71.509 -0.378 1.00 10.54 C ATOM 800 O ILE A 104 -38.677 71.955 -0.842 1.00 9.30 O ATOM 801 CB ILE A 104 -41.288 72.231 -2.253 1.00 9.82 C ATOM 802 CG1 ILE A 104 -42.573 72.992 -2.548 1.00 10.95 C ATOM 803 CG2 ILE A 104 -41.370 70.819 -2.821 1.00 6.85 C ATOM 804 CD1 ILE A 104 -42.535 73.708 -3.884 1.00 15.02 C ATOM 805 N LYS A 105 -39.777 70.420 0.393 1.00 8.57 N ATOM 806 CA LYS A 105 -38.589 69.723 0.837 1.00 10.52 C ATOM 807 C LYS A 105 -38.560 68.393 0.130 1.00 9.76 C ATOM 808 O LYS A 105 -39.608 67.758 0.164 1.00 10.46 O ATOM 809 CB LYS A 105 -38.698 69.563 2.346 1.00 14.66 C ATOM 810 CG LYS A 105 -37.399 69.264 3.046 1.00 23.56 C ATOM 811 CD LYS A 105 -37.580 69.926 4.433 1.00 29.77 C ATOM 812 CE LYS A 105 -37.519 68.992 5.671 1.00 33.16 C ATOM 813 NZ LYS A 105 -36.146 68.736 6.094 1.00 34.79 N ATOM 814 N ARG A 106 -37.506 67.910 -0.524 1.00 6.69 N ATOM 815 CA ARG A 106 -37.511 66.593 -1.162 1.00 6.99 C ATOM 816 C ARG A 106 -36.422 65.842 -0.418 1.00 9.20 C ATOM 817 O ARG A 106 -35.279 66.346 -0.331 1.00 8.05 O ATOM 818 CB ARG A 106 -37.168 66.725 -2.617 1.00 7.21 C ATOM 819 CG ARG A 106 -38.308 67.479 -3.354 1.00 8.12 C ATOM 820 CD ARG A 106 -37.863 67.776 -4.772 1.00 10.15 C ATOM 821 NE ARG A 106 -38.917 68.333 -5.612 1.00 12.67 N ATOM 822 CZ ARG A 106 -39.011 69.648 -5.818 1.00 14.74 C ATOM 823 NH1 ARG A 106 -38.193 70.515 -5.235 1.00 16.43 N ATOM 824 NH2 ARG A 106 -39.969 70.131 -6.608 1.00 17.87 N ATOM 825 N LYS A 107 -36.722 64.698 0.190 1.00 6.98 N ATOM 826 CA LYS A 107 -35.733 64.028 1.025 1.00 9.06 C ATOM 827 C LYS A 107 -35.857 62.544 0.818 1.00 10.33 C ATOM 828 O LYS A 107 -36.853 62.084 0.274 1.00 10.08 O ATOM 829 CB LYS A 107 -35.956 64.412 2.494 1.00 12.58 C ATOM 830 CG LYS A 107 -37.294 64.065 3.132 1.00 19.32 C ATOM 831 CD LYS A 107 -37.690 65.003 4.315 1.00 23.71 C ATOM 832 CE LYS A 107 -39.083 64.667 4.923 1.00 28.65 C ATOM 833 NZ LYS A 107 -39.786 65.790 5.547 1.00 28.84 N ATOM 834 N ARG A 108 -34.796 61.799 1.083 1.00 9.89 N ATOM 835 CA ARG A 108 -34.820 60.364 0.975 1.00 8.71 C ATOM 836 C ARG A 108 -35.303 59.826 2.321 1.00 8.66 C ATOM 837 O ARG A 108 -34.989 60.380 3.378 1.00 10.42 O ATOM 838 CB ARG A 108 -33.384 59.881 0.626 1.00 7.50 C ATOM 839 CG ARG A 108 -32.967 60.160 -0.824 1.00 5.99 C ATOM 840 CD ARG A 108 -33.971 59.490 -1.791 1.00 9.86 C ATOM 841 NE ARG A 108 -34.178 58.059 -1.484 1.00 8.27 N ATOM 842 CZ ARG A 108 -33.347 57.129 -1.909 1.00 7.69 C ATOM 843 NH1 ARG A 108 -32.291 57.436 -2.666 1.00 6.41 N ATOM 844 NH2 ARG A 108 -33.514 55.900 -1.432 1.00 10.20 N ATOM 845 N ASP A 109 -36.068 58.745 2.330 1.00 8.56 N ATOM 846 CA ASP A 109 -36.515 58.123 3.560 1.00 9.08 C ATOM 847 C ASP A 109 -36.465 56.652 3.193 1.00 10.54 C ATOM 848 O ASP A 109 -37.299 56.137 2.437 1.00 9.78 O ATOM 849 CB ASP A 109 -37.963 58.514 3.906 1.00 13.68 C ATOM 850 CG ASP A 109 -38.436 57.974 5.268 1.00 18.43 C ATOM 851 OD1 ASP A 109 -38.006 56.918 5.708 1.00 19.83 O ATOM 852 OD2 ASP A 109 -39.247 58.617 5.922 1.00 23.93 O ATOM 853 N GLY A 110 -35.454 55.910 3.653 1.00 10.42 N ATOM 854 CA GLY A 110 -35.362 54.513 3.237 1.00 10.79 C ATOM 855 C GLY A 110 -35.079 54.437 1.757 1.00 11.44 C ATOM 856 O GLY A 110 -34.195 55.097 1.187 1.00 12.36 O ATOM 857 N ASP A 111 -35.877 53.617 1.112 1.00 10.12 N ATOM 858 CA ASP A 111 -35.766 53.474 -0.322 1.00 11.45 C ATOM 859 C ASP A 111 -36.712 54.403 -1.097 1.00 11.17 C ATOM 860 O ASP A 111 -36.799 54.326 -2.316 1.00 11.84 O ATOM 861 CB ASP A 111 -36.048 52.044 -0.729 1.00 13.82 C ATOM 862 CG ASP A 111 -37.401 51.481 -0.325 1.00 17.67 C ATOM 863 OD1 ASP A 111 -38.197 52.113 0.364 1.00 17.75 O ATOM 864 OD2 ASP A 111 -37.664 50.351 -0.725 1.00 24.08 O ATOM 865 N LYS A 112 -37.423 55.274 -0.396 1.00 12.18 N ATOM 866 CA LYS A 112 -38.409 56.186 -0.951 1.00 11.73 C ATOM 867 C LYS A 112 -37.861 57.616 -1.082 1.00 11.34 C ATOM 868 O LYS A 112 -36.861 57.993 -0.446 1.00 8.39 O ATOM 869 CB LYS A 112 -39.627 56.249 -0.032 1.00 14.14 C ATOM 870 CG LYS A 112 -40.333 54.959 0.382 1.00 18.20 C ATOM 871 CD LYS A 112 -40.795 54.178 -0.835 1.00 23.82 C ATOM 872 CE LYS A 112 -41.692 52.969 -0.422 1.00 27.38 C ATOM 873 NZ LYS A 112 -41.099 52.108 0.610 1.00 25.58 N ATOM 874 N LEU A 113 -38.586 58.412 -1.882 1.00 9.85 N ATOM 875 CA LEU A 113 -38.360 59.852 -1.959 1.00 9.57 C ATOM 876 C LEU A 113 -39.629 60.455 -1.352 1.00 9.94 C ATOM 877 O LEU A 113 -40.738 60.094 -1.790 1.00 11.48 O ATOM 878 CB LEU A 113 -38.257 60.315 -3.381 1.00 10.66 C ATOM 879 CG LEU A 113 -37.530 61.644 -3.684 1.00 15.93 C ATOM 880 CD1 LEU A 113 -37.701 61.888 -5.155 1.00 16.84 C ATOM 881 CD2 LEU A 113 -38.102 62.862 -3.027 1.00 18.26 C ATOM 882 N VAL A 114 -39.520 61.353 -0.359 1.00 9.07 N ATOM 883 CA VAL A 114 -40.658 62.009 0.272 1.00 8.73 C ATOM 884 C VAL A 114 -40.622 63.501 -0.084 1.00 10.51 C ATOM 885 O VAL A 114 -39.580 64.169 0.015 1.00 8.37 O ATOM 886 CB VAL A 114 -40.600 61.833 1.804 1.00 10.80 C ATOM 887 CG1 VAL A 114 -41.812 62.497 2.461 1.00 10.32 C ATOM 888 CG2 VAL A 114 -40.685 60.355 2.154 1.00 11.03 C ATOM 889 N VAL A 115 -41.753 64.033 -0.569 1.00 9.04 N ATOM 890 CA VAL A 115 -41.877 65.449 -0.857 1.00 9.00 C ATOM 891 C VAL A 115 -42.848 66.043 0.161 1.00 10.56 C ATOM 892 O VAL A 115 -43.988 65.572 0.328 1.00 10.34 O ATOM 893 CB VAL A 115 -42.382 65.660 -2.304 1.00 10.13 C ATOM 894 CG1 VAL A 115 -42.399 67.163 -2.616 1.00 10.81 C ATOM 895 CG2 VAL A 115 -41.453 64.988 -3.300 1.00 7.86 C ATOM 896 N GLU A 116 -42.399 67.052 0.921 1.00 9.22 N ATOM 897 CA GLU A 116 -43.244 67.706 1.890 1.00 9.65 C ATOM 898 C GLU A 116 -43.423 69.151 1.445 1.00 10.45 C ATOM 899 O GLU A 116 -42.453 69.858 1.161 1.00 8.87 O ATOM 900 CB GLU A 116 -42.565 67.587 3.210 1.00 14.36 C ATOM 901 CG GLU A 116 -43.316 68.264 4.305 1.00 23.21 C ATOM 902 CD GLU A 116 -42.690 68.126 5.694 1.00 30.37 C ATOM 903 OE1 GLU A 116 -41.450 68.170 5.844 1.00 31.90 O ATOM 904 OE2 GLU A 116 -43.492 67.993 6.631 1.00 34.37 O ATOM 905 N CYS A 117 -44.644 69.654 1.368 1.00 10.15 N ATOM 906 CA CYS A 117 -44.913 71.028 0.895 1.00 12.25 C ATOM 907 C CYS A 117 -45.639 71.725 2.033 1.00 12.68 C ATOM 908 O CYS A 117 -46.592 71.151 2.614 1.00 12.37 O ATOM 909 CB CYS A 117 -45.819 71.037 -0.338 1.00 13.53 C ATOM 910 SG CYS A 117 -45.272 70.074 -1.766 1.00 20.26 S ATOM 911 N VAL A 118 -45.234 72.933 2.397 1.00 9.46 N ATOM 912 CA VAL A 118 -45.820 73.567 3.554 1.00 12.15 C ATOM 913 C VAL A 118 -46.301 74.944 3.142 1.00 13.71 C ATOM 914 O VAL A 118 -45.501 75.681 2.557 1.00 13.07 O ATOM 915 CB VAL A 118 -44.779 73.723 4.655 1.00 14.03 C ATOM 916 CG1 VAL A 118 -45.465 74.321 5.899 1.00 14.29 C ATOM 917 CG2 VAL A 118 -44.111 72.367 4.931 1.00 14.41 C ATOM 918 N MET A 119 -47.542 75.309 3.443 1.00 13.18 N ATOM 919 CA MET A 119 -48.052 76.639 3.119 1.00 15.89 C ATOM 920 C MET A 119 -48.855 77.022 4.348 1.00 17.84 C ATOM 921 O MET A 119 -49.863 76.388 4.664 1.00 16.79 O ATOM 922 CB MET A 119 -48.950 76.595 1.882 1.00 14.32 C ATOM 923 CG MET A 119 -49.608 77.908 1.574 1.00 17.07 C ATOM 924 SD MET A 119 -48.361 79.127 1.088 1.00 21.57 S ATOM 925 CE MET A 119 -49.282 80.610 0.775 1.00 19.27 C ATOM 926 N LYS A 120 -48.371 78.028 5.076 1.00 20.05 N ATOM 927 CA LYS A 120 -48.975 78.524 6.312 1.00 23.53 C ATOM 928 C LYS A 120 -49.569 77.478 7.271 1.00 24.39 C ATOM 929 O LYS A 120 -50.774 77.395 7.547 1.00 26.00 O ATOM 930 CB LYS A 120 -50.056 79.577 5.962 1.00 24.70 C ATOM 931 CG LYS A 120 -51.419 79.172 5.368 1.00 27.83 C ATOM 932 CD LYS A 120 -52.333 80.369 5.099 1.00 0.00 C ATOM 933 CE LYS A 120 -53.687 79.967 4.509 1.00 0.00 C ATOM 934 NZ LYS A 120 -54.565 81.117 4.251 1.00 0.00 N ATOM 935 N GLY A 121 -48.695 76.601 7.747 1.00 24.08 N ATOM 936 CA GLY A 121 -49.137 75.598 8.703 1.00 25.33 C ATOM 937 C GLY A 121 -49.898 74.420 8.095 1.00 24.93 C ATOM 938 O GLY A 121 -50.174 73.483 8.842 1.00 29.21 O ATOM 939 N VAL A 122 -50.320 74.405 6.825 1.00 21.20 N ATOM 940 CA VAL A 122 -50.859 73.202 6.184 1.00 18.05 C ATOM 941 C VAL A 122 -49.682 72.443 5.550 1.00 15.40 C ATOM 942 O VAL A 122 -48.947 73.027 4.753 1.00 13.16 O ATOM 943 CB VAL A 122 -51.886 73.614 5.099 1.00 19.34 C ATOM 944 CG1 VAL A 122 -52.409 72.411 4.323 1.00 17.78 C ATOM 945 CG2 VAL A 122 -53.029 74.334 5.807 1.00 21.55 C ATOM 946 N THR A 123 -49.463 71.164 5.871 1.00 13.87 N ATOM 947 CA THR A 123 -48.380 70.375 5.277 1.00 14.59 C ATOM 948 C THR A 123 -48.947 69.188 4.485 1.00 15.80 C ATOM 949 O THR A 123 -49.867 68.485 4.947 1.00 16.59 O ATOM 950 CB THR A 123 -47.413 69.887 6.396 1.00 13.13 C ATOM 951 OG1 THR A 123 -48.169 69.278 7.430 1.00 20.90 O ATOM 952 CG2 THR A 123 -46.754 71.012 7.125 1.00 11.74 C ATOM 953 N SER A 124 -48.452 68.979 3.267 1.00 13.67 N ATOM 954 CA SER A 124 -48.832 67.845 2.471 1.00 13.58 C ATOM 955 C SER A 124 -47.601 66.937 2.361 1.00 14.05 C ATOM 956 O SER A 124 -46.491 67.481 2.181 1.00 13.80 O ATOM 957 CB SER A 124 -49.251 68.325 1.106 1.00 12.45 C ATOM 958 OG SER A 124 -49.326 67.253 0.168 1.00 18.52 O ATOM 959 N THR A 125 -47.789 65.618 2.392 1.00 11.46 N ATOM 960 CA THR A 125 -46.687 64.702 2.233 1.00 12.57 C ATOM 961 C THR A 125 -46.992 63.792 1.062 1.00 12.79 C ATOM 962 O THR A 125 -48.102 63.249 1.014 1.00 12.80 O ATOM 963 CB THR A 125 -46.473 63.854 3.500 1.00 11.73 C ATOM 964 OG1 THR A 125 -46.385 64.717 4.619 1.00 13.81 O ATOM 965 CG2 THR A 125 -45.203 63.029 3.383 1.00 13.46 C ATOM 966 N ARG A 126 -46.099 63.657 0.071 1.00 10.41 N ATOM 967 CA ARG A 126 -46.250 62.708 -1.037 1.00 11.59 C ATOM 968 C ARG A 126 -45.052 61.769 -1.027 1.00 11.75 C ATOM 969 O ARG A 126 -43.909 62.232 -0.884 1.00 10.49 O ATOM 970 CB AARG A 126 -46.339 63.484 -2.355 0.50 12.11 C ATOM 971 CB BARG A 126 -46.292 63.432 -2.383 0.50 13.28 C ATOM 972 CG AARG A 126 -47.808 63.868 -2.464 0.50 13.92 C ATOM 973 CG BARG A 126 -47.704 63.919 -2.635 0.50 16.88 C ATOM 974 CD AARG A 126 -48.088 65.046 -3.347 0.50 15.43 C ATOM 975 CD BARG A 126 -47.673 65.370 -3.014 0.50 20.08 C ATOM 976 NE AARG A 126 -48.022 64.836 -4.776 0.50 16.65 N ATOM 977 NE BARG A 126 -47.576 65.569 -4.438 0.50 23.29 N ATOM 978 CZ AARG A 126 -49.089 64.547 -5.551 0.50 16.42 C ATOM 979 CZ BARG A 126 -46.552 66.186 -5.029 0.50 25.36 C ATOM 980 NH1AARG A 126 -50.329 64.386 -5.071 0.50 15.10 N ATOM 981 NH1BARG A 126 -45.521 66.640 -4.329 0.50 28.48 N ATOM 982 NH2AARG A 126 -48.923 64.560 -6.877 0.50 14.00 N ATOM 983 NH2BARG A 126 -46.573 66.374 -6.345 0.50 24.96 N ATOM 984 N VAL A 127 -45.287 60.468 -1.170 1.00 10.23 N ATOM 985 CA VAL A 127 -44.201 59.497 -1.070 1.00 9.01 C ATOM 986 C VAL A 127 -44.057 58.870 -2.431 1.00 7.85 C ATOM 987 O VAL A 127 -45.075 58.489 -3.008 1.00 9.39 O ATOM 988 CB VAL A 127 -44.547 58.414 0.004 1.00 11.18 C ATOM 989 CG1 VAL A 127 -43.429 57.351 0.091 1.00 12.89 C ATOM 990 CG2 VAL A 127 -44.676 59.071 1.378 1.00 10.99 C ATOM 991 N TYR A 128 -42.853 58.718 -2.978 1.00 6.73 N ATOM 992 CA TYR A 128 -42.556 58.169 -4.267 1.00 7.25 C ATOM 993 C TYR A 128 -41.637 56.962 -4.119 1.00 9.01 C ATOM 994 O TYR A 128 -40.819 56.930 -3.208 1.00 8.29 O ATOM 995 CB TYR A 128 -41.808 59.177 -5.193 1.00 9.26 C ATOM 996 CG TYR A 128 -42.634 60.394 -5.616 1.00 9.32 C ATOM 997 CD1 TYR A 128 -42.893 61.376 -4.654 1.00 11.11 C ATOM 998 CD2 TYR A 128 -43.139 60.477 -6.917 1.00 11.75 C ATOM 999 CE1 TYR A 128 -43.670 62.458 -5.001 1.00 11.86 C ATOM 1000 CE2 TYR A 128 -43.926 61.569 -7.260 1.00 12.41 C ATOM 1001 CZ TYR A 128 -44.170 62.535 -6.287 1.00 12.69 C ATOM 1002 OH TYR A 128 -44.963 63.628 -6.605 1.00 18.72 O ATOM 1003 N GLU A 129 -41.735 55.987 -5.024 1.00 10.31 N ATOM 1004 CA GLU A 129 -40.808 54.874 -5.041 1.00 11.62 C ATOM 1005 C GLU A 129 -40.214 54.839 -6.430 1.00 10.30 C ATOM 1006 O GLU A 129 -40.742 55.450 -7.369 1.00 11.62 O ATOM 1007 CB GLU A 129 -41.519 53.561 -4.733 1.00 13.82 C ATOM 1008 CG GLU A 129 -42.499 53.047 -5.785 1.00 18.87 C ATOM 1009 CD GLU A 129 -43.235 51.757 -5.380 1.00 22.84 C ATOM 1010 OE1 GLU A 129 -43.179 51.383 -4.178 1.00 23.23 O ATOM 1011 OE2 GLU A 129 -43.863 51.178 -6.286 1.00 21.78 O ATOM 1012 N ARG A 130 -39.095 54.160 -6.618 1.00 10.48 N ATOM 1013 CA ARG A 130 -38.447 54.128 -7.910 1.00 11.95 C ATOM 1014 C ARG A 130 -39.287 53.388 -8.910 1.00 11.64 C ATOM 1015 O ARG A 130 -39.929 52.401 -8.535 1.00 12.56 O ATOM 1016 CB ARG A 130 -37.051 53.452 -7.835 1.00 15.10 C ATOM 1017 CG ARG A 130 -36.056 54.297 -7.034 1.00 16.60 C ATOM 1018 CD ARG A 130 -34.589 53.929 -7.238 1.00 17.30 C ATOM 1019 NE ARG A 130 -33.654 54.720 -6.402 1.00 18.88 N ATOM 1020 CZ ARG A 130 -33.039 55.810 -6.890 1.00 19.21 C ATOM 1021 NH1 ARG A 130 -33.267 56.217 -8.142 1.00 15.63 N ATOM 1022 NH2 ARG A 130 -32.155 56.471 -6.137 1.00 19.03 N ATOM 1023 N ALA A 131 -39.330 53.911 -10.114 1.00 10.89 N ATOM 1024 CA ALA A 131 -40.076 53.270 -11.163 1.00 14.68 C ATOM 1025 C ALA A 131 -39.292 52.057 -11.725 1.00 16.37 C ATOM 1026 O ALA A 131 -38.065 52.014 -11.656 1.00 17.44 O ATOM 1027 CB ALA A 131 -40.352 54.319 -12.253 1.00 15.03 C ATOM 1028 OXT ALA A 131 -39.922 51.122 -12.207 1.00 20.58 O TER 1029 ALA A 131 HETATM 1030 O HOH A 132 -51.676 69.808 7.380 1.00 23.69 O HETATM 1031 O HOH A 133 -49.772 66.712 7.929 1.00 25.51 O HETATM 1032 O HOH A 134 -46.628 58.931 -10.430 1.00 25.91 O HETATM 1033 O HOH A 135 -42.645 86.766 -1.100 1.00 25.24 O HETATM 1034 O HOH A 136 -31.618 77.373 -6.879 1.00 8.80 O HETATM 1035 O HOH A 137 -29.526 68.824 -15.588 1.00 15.41 O HETATM 1036 O HOH A 138 -25.872 73.031 -8.398 1.00 17.92 O HETATM 1037 O HOH A 139 -56.393 74.061 3.454 0.60 34.40 O HETATM 1038 O HOH A 140 -33.441 77.074 0.004 1.00 15.71 O HETATM 1039 O HOH A 141 -34.182 77.543 2.864 0.80 24.26 O HETATM 1040 O HOH A 142 -31.941 69.994 6.355 1.00 56.91 O HETATM 1041 O HOH A 143 -34.321 53.593 -3.745 1.00 14.93 O HETATM 1042 O HOH A 144 -38.099 52.943 -4.191 1.00 14.15 O HETATM 1043 O HOH A 145 -37.037 70.732 -2.785 1.00 12.48 O HETATM 1044 O HOH A 146 -41.165 72.730 -7.816 1.00 25.04 O HETATM 1045 O HOH A 147 -42.555 73.608 -12.058 1.00 20.55 O HETATM 1046 O HOH A 148 -40.800 70.098 -12.356 1.00 22.31 O HETATM 1047 O HOH A 149 -34.508 82.311 -14.264 1.00 17.26 O HETATM 1048 O HOH A 150 -46.462 66.980 -0.864 1.00 25.13 O HETATM 1049 O HOH A 151 -46.026 74.901 -4.769 1.00 18.22 O HETATM 1050 O HOH A 152 -29.882 57.563 -7.217 1.00 29.09 O HETATM 1051 O HOH A 153 -27.929 63.602 -16.328 1.00 17.41 O HETATM 1052 O HOH A 154 -28.279 62.291 -13.785 0.80 15.20 O HETATM 1053 O HOH A 155 -29.829 66.472 -16.770 0.80 17.65 O HETATM 1054 O HOH A 156 -38.127 77.180 -14.403 1.00 40.30 O HETATM 1055 O HOH A 157 -35.673 76.196 -15.220 0.80 24.67 O HETATM 1056 O HOH A 158 -34.957 55.521 -10.543 1.00 25.82 O HETATM 1057 O HOH A 159 -30.519 78.427 -10.963 1.00 12.09 O HETATM 1058 O HOH A 160 -48.127 60.376 1.931 1.00 21.05 O HETATM 1059 O HOH A 161 -33.407 65.093 5.693 1.00 58.40 O HETATM 1060 O HOH A 162 -57.079 67.162 -5.333 0.80 35.40 O HETATM 1061 O HOH A 163 -59.162 67.499 1.122 0.80 29.37 O HETATM 1062 O HOH A 164 -52.866 79.011 -9.326 1.00 68.83 O HETATM 1063 O HOH A 165 -34.951 65.240 -15.306 0.80 17.65 O HETATM 1064 O HOH A 166 -28.526 65.911 -19.183 0.80 16.20 O HETATM 1065 O HOH A 167 -22.874 72.481 -16.106 1.00 44.08 O HETATM 1066 O HOH A 168 -44.226 59.299 -17.812 0.80 54.47 O HETATM 1067 O HOH A 169 -40.964 62.437 -22.540 0.60 47.13 O HETATM 1068 O HOH A 170 -46.889 67.759 -13.634 0.80 37.60 O HETATM 1069 O HOH A 171 -42.248 74.315 -14.796 0.80 40.47 O HETATM 1070 O HOH A 172 -35.391 72.904 -18.196 0.80 33.23 O HETATM 1071 O HOH A 173 -40.657 76.997 -15.358 1.00 26.41 O HETATM 1072 O HOH A 174 -46.650 83.068 2.741 1.00 32.27 O HETATM 1073 O HOH A 175 -27.555 81.839 -2.233 1.00 17.85 O HETATM 1074 O HOH A 176 -29.082 83.886 -7.255 1.00 26.49 O HETATM 1075 O HOH A 177 -40.886 84.809 -11.926 1.00 25.75 O HETATM 1076 O HOH A 178 -45.050 73.132 -10.557 1.00 29.49 O HETATM 1077 O HOH A 179 -37.140 82.305 -3.561 1.00 25.47 O HETATM 1078 O HOH A 180 -32.451 75.332 5.097 1.00 48.05 O HETATM 1079 O HOH A 181 -41.549 71.820 3.213 0.80 31.42 O HETATM 1080 O HOH A 182 -34.344 58.168 -14.971 1.00 29.71 O HETATM 1081 O HOH A 183 -32.570 60.327 -14.456 1.00 21.76 O HETATM 1082 O HOH A 184 -29.743 60.016 -14.925 0.80 36.31 O HETATM 1083 O HOH A 185 -37.003 51.753 3.150 1.00 44.25 O HETATM 1084 O HOH A 186 -35.693 48.233 -1.182 0.60 32.52 O HETATM 1085 O HOH A 187 -34.316 50.981 -4.550 1.00 38.57 O HETATM 1086 O HOH A 188 -35.782 50.582 -6.820 1.00 42.44 O HETATM 1087 O HOH A 189 -26.416 68.032 2.803 0.80 29.58 O HETATM 1088 O HOH A 190 -34.770 83.958 -2.722 0.80 48.31 O HETATM 1089 O HOH A 191 -28.766 63.245 0.003 0.80 38.99 O HETATM 1090 O HOH A 192 -25.718 60.882 -13.165 0.80 24.22 O HETATM 1091 O HOH A 193 -26.748 59.258 -15.076 0.80 22.95 O HETATM 1092 O HOH A 194 -45.020 70.024 -11.327 0.80 30.54 O HETATM 1093 O HOH A 195 -41.689 71.593 -10.188 0.80 42.19 O HETATM 1094 O HOH A 196 -41.553 68.556 -9.306 0.60 51.69 O HETATM 1095 O HOH A 197 -42.698 64.696 -22.959 0.80 44.22 O HETATM 1096 O HOH A 198 -39.174 50.866 -6.418 0.80 25.89 O HETATM 1097 O HOH A 199 -41.665 50.267 -8.098 1.00 45.74 O HETATM 1098 O HOH A 200 -29.214 56.385 -9.566 0.60 53.91 O HETATM 1099 O HOH A 201 -52.624 58.073 -1.374 1.00 32.47 O HETATM 1100 O HOH A 202 -54.143 64.242 -0.829 1.00 22.51 O HETATM 1101 O HOH A 203 -61.467 76.835 -4.495 0.80 43.01 O HETATM 1102 O HOH A 204 -62.389 77.679 -7.092 0.80 42.88 O HETATM 1103 O HOH A 205 -45.968 79.615 4.041 0.80 31.03 O HETATM 1104 O HOH A 206 -32.590 56.797 2.433 0.80 44.85 O HETATM 1105 O HOH A 207 -46.327 63.277 -20.278 1.00 50.36 O HETATM 1106 O HOH A 208 -23.194 58.457 -3.985 0.80 45.76 O HETATM 1107 O HOH A 209 -26.723 61.014 -0.775 0.40 41.15 O HETATM 1108 O HOH A 210 -26.645 57.673 -11.990 0.80 48.01 O HETATM 1109 O HOH A 211 -41.320 79.536 3.016 1.00 46.13 O HETATM 1110 O HOH A 212 -47.729 75.847 -16.126 0.80 36.66 O HETATM 1111 O HOH A 213 -57.134 65.936 3.866 0.80 39.15 O HETATM 1112 O HOH A 214 -55.581 63.605 2.188 0.80 42.63 O HETATM 1113 O HOH A 215 -56.238 67.244 0.981 1.00 29.82 O HETATM 1114 O HOH A 216 -51.674 63.790 -8.197 1.00 41.13 O HETATM 1115 O HOH A 217 -44.164 73.687 -7.847 1.00 38.60 O HETATM 1116 O HOH A 218 -44.443 65.008 -9.140 0.80 36.13 O HETATM 1117 O HOH A 219 -42.387 62.505 -14.521 0.80 44.08 O HETATM 1118 O HOH A 220 -48.567 73.101 -7.975 1.00 44.72 O MASTER 254 0 0 2 11 6 0 6 1117 1 0 11 END