HEADER FATTY ACID-BINDING PROTEIN 05-DEC-90 1IFB TITLE REFINED APOPROTEIN STRUCTURE OF RAT INTESTINAL FATTY ACID TITLE 2 BINDING PROTEIN PRODUCED IN ESCHERICHIA COLI COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTESTINAL FATTY ACID BINDING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; SOURCE 3 ORGANISM_COMMON: BLACK RAT; SOURCE 4 ORGANISM_TAXID: 10117 KEYWDS FATTY ACID-BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR J.C.SACCHETTINI,J.I.GORDON,L.J.BANASZAK REVDAT 2 24-FEB-09 1IFB 1 VERSN REVDAT 1 15-JAN-92 1IFB 0 JRNL AUTH J.C.SACCHETTINI,J.I.GORDON,L.J.BANASZAK JRNL TITL REFINED APOPROTEIN STRUCTURE OF RAT INTESTINAL JRNL TITL 2 FATTY ACID BINDING PROTEIN PRODUCED IN ESCHERICHIA JRNL TITL 3 COLI. JRNL REF PROC.NATL.ACAD.SCI.USA V. 86 7736 1989 JRNL REFN ISSN 0027-8424 JRNL PMID 2682622 JRNL DOI 10.1073/PNAS.86.20.7736 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.96 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.96 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.188 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 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1057 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 52 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.016 REMARK 3 BOND ANGLES (DEGREES) : 2.93 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1IFB 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: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.63 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.97 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 28.30000 REMARK 290 SMTRY3 2 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: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 15 CD GLU A 15 OE2 0.078 REMARK 500 GLU A 19 CD GLU A 19 OE2 0.086 REMARK 500 GLU A 43 CD GLU A 43 OE2 0.067 REMARK 500 GLU A 51 CD GLU A 51 OE2 0.068 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 ASP A 9 CB - CG - OD1 ANGL. DEV. = 6.4 DEGREES REMARK 500 ASP A 9 CB - CG - OD2 ANGL. DEV. = -6.9 DEGREES REMARK 500 TYR A 14 CB - CG - CD1 ANGL. DEV. = -4.0 DEGREES REMARK 500 HIS A 33 CA - CB - CG ANGL. DEV. = -10.7 DEGREES REMARK 500 ASP A 59 CB - CG - OD1 ANGL. DEV. = 7.8 DEGREES REMARK 500 ASP A 67 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 THR A 76 N - CA - CB ANGL. DEV. = 14.1 DEGREES REMARK 500 ARG A 106 NE - CZ - NH2 ANGL. DEV. = -3.1 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 ASP A 74 -12.17 173.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 PHE A 68 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 152 DISTANCE = 7.00 ANGSTROMS DBREF 1IFB A 1 131 UNP P02693 FABPI_RAT 1 131 SEQRES 1 A 131 ALA PHE ASP GLY THR TRP LYS VAL ASP ARG ASN GLU ASN SEQRES 2 A 131 TYR GLU LYS PHE MET GLU LYS MET GLY ILE ASN VAL VAL SEQRES 3 A 131 LYS ARG LYS LEU GLY ALA HIS ASP ASN LEU LYS LEU THR SEQRES 4 A 131 ILE THR GLN GLU GLY ASN LYS PHE THR VAL LYS GLU SER SEQRES 5 A 131 SER ASN PHE ARG ASN ILE ASP VAL VAL PHE GLU LEU GLY SEQRES 6 A 131 VAL ASP PHE ALA TYR SER LEU ALA ASP GLY THR GLU LEU SEQRES 7 A 131 THR GLY THR TRP THR MET GLU GLY ASN LYS LEU VAL GLY SEQRES 8 A 131 LYS PHE LYS ARG VAL ASP ASN GLY LYS GLU LEU ILE ALA SEQRES 9 A 131 VAL ARG GLU ILE SER GLY ASN GLU LEU ILE GLN THR TYR SEQRES 10 A 131 THR TYR GLU GLY VAL GLU ALA LYS ARG ILE PHE LYS LYS SEQRES 11 A 131 GLU FORMUL 2 HOH *52(H2 O) HELIX 1 A1 ASN A 13 MET A 21 1 9 HELIX 2 A2 ASN A 24 HIS A 33 1 10 SHEET 1 B1 6 ASP A 3 GLU A 12 0 SHEET 2 B1 6 ASP A 34 GLU A 43 -1 N ILE A 40 O GLY A 4 SHEET 3 B1 6 LYS A 46 SER A 53 -1 N THR A 48 O THR A 41 SHEET 4 B1 6 PHE A 55 GLU A 63 -1 N ILE A 58 O GLU A 51 SHEET 5 B1 6 ASP A 67 ALA A 73 -1 SHEET 6 B1 6 GLY A 75 GLY A 80 -1 N LEU A 78 O TYR A 70 SHEET 1 B2 5 THR A 81 GLU A 85 0 SHEET 2 B2 5 LYS A 88 VAL A 96 -1 N VAL A 90 O THR A 83 SHEET 3 B2 5 LYS A 100 SER A 109 -1 N ALA A 104 O GLY A 91 SHEET 4 B2 5 ASN A 111 TYR A 119 -1 N THR A 116 O VAL A 105 SHEET 5 B2 5 VAL A 122 GLU A 131 -1 N ARG A 126 O GLN A 115 CRYST1 36.000 56.600 31.600 90.00 113.10 90.00 P 1 21 1 2 ORIGX1 0.027778 0.000000 0.011848 0.00000 ORIGX2 0.000000 0.017668 0.000000 0.00000 ORIGX3 0.000000 0.000000 0.034404 0.00000 SCALE1 0.027778 0.000000 0.011848 0.00000 SCALE2 0.000000 0.017668 0.000000 0.00000 SCALE3 0.000000 0.000000 0.034404 0.00000 ATOM 1 N ALA A 1 -13.778 2.298 1.759 1.00 27.01 N ATOM 2 CA ALA A 1 -14.121 1.964 3.101 1.00 13.81 C ATOM 3 C ALA A 1 -13.029 1.183 3.799 1.00 34.24 C ATOM 4 O ALA A 1 -13.032 -0.045 3.755 1.00 32.60 O ATOM 5 CB ALA A 1 -15.416 1.160 3.160 1.00 48.41 C ATOM 6 N PHE A 2 -12.161 1.936 4.499 1.00 35.40 N ATOM 7 CA PHE A 2 -11.083 1.358 5.264 1.00 6.72 C ATOM 8 C PHE A 2 -11.530 0.906 6.633 1.00 16.75 C ATOM 9 O PHE A 2 -10.847 0.147 7.284 1.00 18.05 O ATOM 10 CB PHE A 2 -9.973 2.372 5.421 1.00 14.33 C ATOM 11 CG PHE A 2 -9.183 2.485 4.159 1.00 14.21 C ATOM 12 CD1 PHE A 2 -9.317 3.600 3.334 1.00 20.62 C ATOM 13 CD2 PHE A 2 -8.297 1.472 3.779 1.00 37.59 C ATOM 14 CE1 PHE A 2 -8.572 3.702 2.163 1.00 26.99 C ATOM 15 CE2 PHE A 2 -7.521 1.573 2.619 1.00 15.27 C ATOM 16 CZ PHE A 2 -7.692 2.689 1.811 1.00 29.86 C ATOM 17 N ASP A 3 -12.728 1.324 7.020 1.00 55.50 N ATOM 18 CA ASP A 3 -13.353 1.053 8.298 1.00 7.58 C ATOM 19 C ASP A 3 -13.376 -0.402 8.705 1.00 10.30 C ATOM 20 O ASP A 3 -13.819 -1.257 7.964 1.00 27.17 O ATOM 21 CB ASP A 3 -14.778 1.670 8.348 1.00 23.89 C ATOM 22 CG ASP A 3 -14.748 3.170 8.141 1.00 38.61 C ATOM 23 OD1 ASP A 3 -14.657 3.973 9.069 1.00 65.59 O ATOM 24 OD2 ASP A 3 -14.862 3.538 6.897 1.00 16.02 O ATOM 25 N GLY A 4 -12.985 -0.640 9.958 1.00 24.83 N ATOM 26 CA GLY A 4 -12.975 -1.947 10.577 1.00 13.30 C ATOM 27 C GLY A 4 -11.598 -2.473 10.961 1.00 4.12 C ATOM 28 O GLY A 4 -10.609 -1.738 11.031 1.00 16.10 O ATOM 29 N THR A 5 -11.574 -3.787 11.225 1.00 11.99 N ATOM 30 CA THR A 5 -10.409 -4.551 11.711 1.00 8.27 C ATOM 31 C THR A 5 -9.870 -5.462 10.673 1.00 14.47 C ATOM 32 O THR A 5 -10.629 -6.232 10.106 1.00 15.98 O ATOM 33 CB THR A 5 -10.718 -5.490 12.865 1.00 16.14 C ATOM 34 OG1 THR A 5 -9.557 -6.232 13.222 1.00 44.18 O ATOM 35 CG2 THR A 5 -11.344 -4.743 14.054 1.00 18.83 C ATOM 36 N TRP A 6 -8.567 -5.332 10.429 1.00 7.69 N ATOM 37 CA TRP A 6 -7.899 -6.068 9.371 1.00 4.82 C ATOM 38 C TRP A 6 -6.816 -6.888 10.013 1.00 29.03 C ATOM 39 O TRP A 6 -6.056 -6.334 10.763 1.00 13.90 O ATOM 40 CB TRP A 6 -7.382 -5.043 8.377 1.00 10.78 C ATOM 41 CG TRP A 6 -8.461 -4.188 7.767 1.00 6.46 C ATOM 42 CD1 TRP A 6 -8.903 -2.977 8.197 1.00 5.36 C ATOM 43 CD2 TRP A 6 -9.144 -4.415 6.508 1.00 8.89 C ATOM 44 NE1 TRP A 6 -9.853 -2.473 7.333 1.00 18.85 N ATOM 45 CE2 TRP A 6 -10.023 -3.351 6.290 1.00 29.33 C ATOM 46 CE3 TRP A 6 -9.119 -5.428 5.555 1.00 9.20 C ATOM 47 CZ2 TRP A 6 -10.815 -3.294 5.151 1.00 24.03 C ATOM 48 CZ3 TRP A 6 -9.885 -5.360 4.438 1.00 22.60 C ATOM 49 CH2 TRP A 6 -10.735 -4.302 4.229 1.00 14.32 C ATOM 50 N LYS A 7 -6.814 -8.201 9.848 1.00 27.41 N ATOM 51 CA LYS A 7 -5.837 -9.050 10.545 1.00 9.69 C ATOM 52 C LYS A 7 -4.796 -9.577 9.548 1.00 10.06 C ATOM 53 O LYS A 7 -5.218 -10.052 8.528 1.00 12.18 O ATOM 54 CB LYS A 7 -6.548 -10.245 11.191 1.00 35.07 C ATOM 55 CG LYS A 7 -7.401 -9.962 12.432 1.00 22.48 C ATOM 56 CD LYS A 7 -8.234 -11.184 12.847 1.00 26.30 C ATOM 57 CE LYS A 7 -8.068 -11.518 14.324 1.00 60.96 C ATOM 58 NZ LYS A 7 -9.196 -12.214 14.969 1.00 42.54 N ATOM 59 N VAL A 8 -3.449 -9.503 9.758 1.00 16.51 N ATOM 60 CA VAL A 8 -2.538 -9.996 8.676 1.00 16.38 C ATOM 61 C VAL A 8 -2.727 -11.439 8.258 1.00 5.31 C ATOM 62 O VAL A 8 -2.900 -12.373 9.069 1.00 25.13 O ATOM 63 CB VAL A 8 -1.003 -9.831 8.842 1.00 12.23 C ATOM 64 CG1 VAL A 8 -0.446 -8.682 8.034 1.00 33.44 C ATOM 65 CG2 VAL A 8 -0.560 -9.865 10.292 1.00 2.08 C ATOM 66 N ASP A 9 -2.646 -11.592 6.929 1.00 12.35 N ATOM 67 CA ASP A 9 -2.849 -12.905 6.342 1.00 32.04 C ATOM 68 C ASP A 9 -1.573 -13.403 5.714 1.00 47.73 C ATOM 69 O ASP A 9 -1.067 -14.478 6.028 1.00 21.12 O ATOM 70 CB ASP A 9 -4.036 -12.956 5.351 1.00 36.88 C ATOM 71 CG ASP A 9 -4.269 -14.348 4.793 1.00 11.35 C ATOM 72 OD1 ASP A 9 -4.127 -14.659 3.625 1.00 20.10 O ATOM 73 OD2 ASP A 9 -4.562 -15.191 5.732 1.00 25.94 O ATOM 74 N ARG A 10 -1.015 -12.605 4.819 1.00 21.24 N ATOM 75 CA ARG A 10 0.183 -13.097 4.162 1.00 36.05 C ATOM 76 C ARG A 10 1.191 -11.999 3.866 1.00 41.70 C ATOM 77 O ARG A 10 0.815 -10.828 3.686 1.00 15.13 O ATOM 78 CB ARG A 10 -0.100 -14.054 2.994 1.00 25.17 C ATOM 79 CG ARG A 10 -0.473 -13.375 1.674 1.00 26.22 C ATOM 80 CD ARG A 10 -1.428 -14.218 0.817 1.00 46.92 C ATOM 81 NE ARG A 10 -0.851 -15.491 0.401 1.00 88.18 N ATOM 82 CZ ARG A 10 -1.234 -16.239 -0.651 1.00 13.53 C ATOM 83 NH1 ARG A 10 -0.659 -17.404 -0.927 1.00 18.19 N ATOM 84 NH2 ARG A 10 -2.302 -15.865 -1.354 1.00 64.35 N ATOM 85 N ASN A 11 2.493 -12.384 3.828 1.00 28.93 N ATOM 86 CA ASN A 11 3.533 -11.371 3.633 1.00 30.08 C ATOM 87 C ASN A 11 4.330 -11.597 2.415 1.00 26.47 C ATOM 88 O ASN A 11 4.498 -12.741 2.014 1.00 9.55 O ATOM 89 CB ASN A 11 4.490 -11.156 4.793 1.00 46.03 C ATOM 90 CG ASN A 11 3.761 -10.963 6.104 1.00 22.30 C ATOM 91 OD1 ASN A 11 3.262 -9.871 6.398 1.00 19.97 O ATOM 92 ND2 ASN A 11 3.690 -12.039 6.895 1.00 41.25 N ATOM 93 N GLU A 12 4.789 -10.488 1.863 1.00 32.03 N ATOM 94 CA GLU A 12 5.589 -10.516 0.663 1.00 41.12 C ATOM 95 C GLU A 12 6.928 -9.775 0.706 1.00 8.25 C ATOM 96 O GLU A 12 6.991 -8.552 0.921 1.00 14.28 O ATOM 97 CB GLU A 12 4.811 -10.369 -0.654 1.00 50.93 C ATOM 98 CG GLU A 12 5.360 -11.348 -1.712 1.00 46.56 C ATOM 99 CD GLU A 12 4.988 -12.752 -1.346 1.00 80.46 C ATOM 100 OE1 GLU A 12 5.773 -13.658 -1.110 1.00 70.17 O ATOM 101 OE2 GLU A 12 3.687 -12.860 -1.285 1.00 79.02 O ATOM 102 N ASN A 13 8.010 -10.556 0.541 1.00 28.00 N ATOM 103 CA ASN A 13 9.383 -10.030 0.546 1.00 9.50 C ATOM 104 C ASN A 13 9.693 -9.152 1.735 1.00 8.64 C ATOM 105 O ASN A 13 10.493 -8.235 1.581 1.00 10.53 O ATOM 106 CB ASN A 13 9.683 -9.164 -0.680 1.00 16.38 C ATOM 107 CG ASN A 13 11.101 -9.350 -1.136 1.00 32.56 C ATOM 108 OD1 ASN A 13 11.667 -10.443 -0.977 1.00 19.08 O ATOM 109 ND2 ASN A 13 11.667 -8.258 -1.677 1.00 29.67 N ATOM 110 N TYR A 14 9.106 -9.475 2.875 1.00 19.91 N ATOM 111 CA TYR A 14 9.077 -8.688 4.090 1.00 25.49 C ATOM 112 C TYR A 14 10.348 -8.637 4.967 1.00 24.32 C ATOM 113 O TYR A 14 10.658 -7.624 5.633 1.00 13.63 O ATOM 114 CB TYR A 14 7.830 -9.141 4.895 1.00 25.41 C ATOM 115 CG TYR A 14 7.564 -8.196 6.008 1.00 36.65 C ATOM 116 CD1 TYR A 14 7.854 -6.866 5.784 1.00 4.88 C ATOM 117 CD2 TYR A 14 7.072 -8.626 7.229 1.00 20.13 C ATOM 118 CE1 TYR A 14 7.673 -5.892 6.790 1.00 5.58 C ATOM 119 CE2 TYR A 14 6.876 -7.703 8.220 1.00 14.42 C ATOM 120 CZ TYR A 14 7.149 -6.328 8.019 1.00 3.17 C ATOM 121 OH TYR A 14 6.934 -5.405 9.013 1.00 34.57 O ATOM 122 N GLU A 15 11.012 -9.769 5.090 1.00 11.02 N ATOM 123 CA GLU A 15 12.203 -9.871 5.877 1.00 36.59 C ATOM 124 C GLU A 15 13.353 -9.175 5.121 1.00 11.73 C ATOM 125 O GLU A 15 14.150 -8.456 5.717 1.00 40.85 O ATOM 126 CB GLU A 15 12.422 -11.360 6.316 1.00 47.03 C ATOM 127 CG GLU A 15 11.706 -11.778 7.650 1.00 79.22 C ATOM 128 CD GLU A 15 12.519 -12.577 8.688 1.00 77.16 C ATOM 129 OE1 GLU A 15 13.728 -12.463 8.859 1.00 74.68 O ATOM 130 OE2 GLU A 15 11.778 -13.409 9.415 1.00 47.84 O ATOM 131 N LYS A 16 13.293 -9.243 3.761 1.00 19.23 N ATOM 132 CA LYS A 16 14.232 -8.626 2.799 1.00 19.97 C ATOM 133 C LYS A 16 14.148 -7.115 2.895 1.00 28.40 C ATOM 134 O LYS A 16 15.129 -6.401 2.782 1.00 25.70 O ATOM 135 CB LYS A 16 13.954 -9.039 1.357 1.00 12.62 C ATOM 136 CG LYS A 16 15.069 -9.865 0.677 1.00 50.62 C ATOM 137 CD LYS A 16 15.184 -9.758 -0.852 1.00 55.06 C ATOM 138 CE LYS A 16 15.082 -11.082 -1.616 1.00 75.96 C ATOM 139 NZ LYS A 16 13.708 -11.473 -1.982 1.00 86.52 N ATOM 140 N PHE A 17 12.951 -6.634 3.093 1.00 23.14 N ATOM 141 CA PHE A 17 12.650 -5.224 3.241 1.00 9.02 C ATOM 142 C PHE A 17 13.135 -4.754 4.604 1.00 4.14 C ATOM 143 O PHE A 17 13.612 -3.622 4.784 1.00 16.44 O ATOM 144 CB PHE A 17 11.098 -4.941 3.005 1.00 10.91 C ATOM 145 CG PHE A 17 10.591 -3.673 3.630 1.00 11.76 C ATOM 146 CD1 PHE A 17 10.555 -2.479 2.904 1.00 26.93 C ATOM 147 CD2 PHE A 17 10.297 -3.622 4.994 1.00 7.93 C ATOM 148 CE1 PHE A 17 10.265 -1.251 3.517 1.00 6.81 C ATOM 149 CE2 PHE A 17 9.967 -2.428 5.624 1.00 21.42 C ATOM 150 CZ PHE A 17 9.954 -1.251 4.877 1.00 2.30 C ATOM 151 N MET A 18 13.033 -5.677 5.592 1.00 16.67 N ATOM 152 CA MET A 18 13.453 -5.383 6.964 1.00 10.15 C ATOM 153 C MET A 18 14.974 -5.388 7.051 1.00 51.78 C ATOM 154 O MET A 18 15.583 -4.641 7.801 1.00 8.83 O ATOM 155 CB MET A 18 12.869 -6.401 7.894 1.00 8.91 C ATOM 156 CG MET A 18 11.352 -6.198 8.057 1.00 8.56 C ATOM 157 SD MET A 18 10.804 -7.075 9.528 1.00 27.70 S ATOM 158 CE MET A 18 10.352 -8.620 8.790 1.00 1.00 C ATOM 159 N GLU A 19 15.578 -6.311 6.336 1.00 14.43 N ATOM 160 CA GLU A 19 17.012 -6.396 6.165 1.00 10.89 C ATOM 161 C GLU A 19 17.526 -5.117 5.552 1.00 5.58 C ATOM 162 O GLU A 19 18.600 -4.664 5.927 1.00 49.68 O ATOM 163 CB GLU A 19 17.321 -7.511 5.171 1.00 5.48 C ATOM 164 CG GLU A 19 17.280 -8.875 5.848 1.00 45.75 C ATOM 165 CD GLU A 19 17.929 -9.933 5.020 1.00 74.04 C ATOM 166 OE1 GLU A 19 17.289 -10.839 4.502 1.00 38.59 O ATOM 167 OE2 GLU A 19 19.255 -9.775 4.941 1.00 89.41 O ATOM 168 N LYS A 20 16.794 -4.596 4.549 1.00 21.45 N ATOM 169 CA LYS A 20 17.175 -3.385 3.834 1.00 10.98 C ATOM 170 C LYS A 20 17.225 -2.185 4.738 1.00 24.29 C ATOM 171 O LYS A 20 18.175 -1.381 4.645 1.00 29.05 O ATOM 172 CB LYS A 20 16.433 -3.136 2.500 1.00 34.53 C ATOM 173 CG LYS A 20 17.036 -2.066 1.575 1.00 11.64 C ATOM 174 CD LYS A 20 18.122 -2.592 0.651 1.00 23.10 C ATOM 175 CE LYS A 20 18.851 -1.506 -0.113 1.00 15.14 C ATOM 176 NZ LYS A 20 18.169 -1.132 -1.375 1.00 31.31 N ATOM 177 N MET A 21 16.215 -2.094 5.619 1.00 11.31 N ATOM 178 CA MET A 21 16.077 -1.024 6.618 1.00 9.13 C ATOM 179 C MET A 21 17.093 -1.019 7.723 1.00 5.12 C ATOM 180 O MET A 21 16.999 -0.170 8.575 1.00 13.24 O ATOM 181 CB MET A 21 14.733 -1.075 7.331 1.00 11.56 C ATOM 182 CG MET A 21 13.579 -0.781 6.389 1.00 9.00 C ATOM 183 SD MET A 21 13.017 0.928 6.499 1.00 19.71 S ATOM 184 CE MET A 21 12.005 0.702 7.979 1.00 27.76 C ATOM 185 N GLY A 22 17.951 -2.060 7.822 1.00 40.90 N ATOM 186 CA GLY A 22 19.002 -2.202 8.833 1.00 23.53 C ATOM 187 C GLY A 22 18.520 -2.870 10.141 1.00 59.51 C ATOM 188 O GLY A 22 19.183 -2.819 11.179 1.00 31.26 O ATOM 189 N ILE A 23 17.369 -3.521 10.089 1.00 16.14 N ATOM 190 CA ILE A 23 16.713 -4.109 11.246 1.00 25.24 C ATOM 191 C ILE A 23 17.427 -5.400 11.673 1.00 3.74 C ATOM 192 O ILE A 23 17.684 -6.232 10.801 1.00 21.26 O ATOM 193 CB ILE A 23 15.219 -4.398 10.900 1.00 40.93 C ATOM 194 CG1 ILE A 23 14.312 -3.158 10.958 1.00 36.04 C ATOM 195 CG2 ILE A 23 14.669 -5.388 11.894 1.00 5.32 C ATOM 196 CD1 ILE A 23 15.053 -1.845 11.112 1.00 19.52 C ATOM 197 N ASN A 24 17.625 -5.552 13.016 1.00 17.52 N ATOM 198 CA ASN A 24 18.252 -6.650 13.740 1.00 24.26 C ATOM 199 C ASN A 24 17.535 -7.964 13.481 1.00 29.85 C ATOM 200 O ASN A 24 16.298 -7.981 13.603 1.00 36.91 O ATOM 201 CB ASN A 24 18.143 -6.351 15.254 1.00 27.96 C ATOM 202 CG ASN A 24 18.642 -7.449 16.193 1.00 18.85 C ATOM 203 OD1 ASN A 24 17.911 -8.354 16.617 1.00 53.54 O ATOM 204 ND2 ASN A 24 19.920 -7.335 16.556 1.00 88.38 N ATOM 205 N VAL A 25 18.312 -9.033 13.263 1.00 22.82 N ATOM 206 CA VAL A 25 17.882 -10.414 12.978 1.00 31.04 C ATOM 207 C VAL A 25 16.794 -10.975 13.885 1.00 23.14 C ATOM 208 O VAL A 25 15.899 -11.716 13.458 1.00 33.27 O ATOM 209 CB VAL A 25 19.015 -11.467 13.057 1.00 20.74 C ATOM 210 CG1 VAL A 25 19.633 -11.926 11.743 1.00 21.98 C ATOM 211 CG2 VAL A 25 19.989 -11.139 14.176 1.00 22.25 C ATOM 212 N VAL A 26 16.969 -10.828 15.178 1.00 19.21 N ATOM 213 CA VAL A 26 15.926 -11.371 15.986 1.00 26.94 C ATOM 214 C VAL A 26 14.671 -10.528 15.856 1.00 12.49 C ATOM 215 O VAL A 26 13.558 -11.037 15.908 1.00 42.83 O ATOM 216 CB VAL A 26 16.335 -11.722 17.417 1.00 40.79 C ATOM 217 CG1 VAL A 26 17.794 -12.163 17.472 1.00 18.37 C ATOM 218 CG2 VAL A 26 16.102 -10.567 18.367 1.00 38.41 C ATOM 219 N LYS A 27 14.855 -9.231 15.678 1.00 27.70 N ATOM 220 CA LYS A 27 13.762 -8.298 15.516 1.00 9.01 C ATOM 221 C LYS A 27 13.099 -8.530 14.132 1.00 31.34 C ATOM 222 O LYS A 27 11.915 -8.399 13.946 1.00 19.35 O ATOM 223 CB LYS A 27 14.291 -6.883 15.649 1.00 25.51 C ATOM 224 CG LYS A 27 13.826 -6.068 16.858 1.00 38.86 C ATOM 225 CD LYS A 27 14.784 -4.902 17.103 1.00 68.59 C ATOM 226 CE LYS A 27 14.187 -3.685 17.768 1.00 47.29 C ATOM 227 NZ LYS A 27 14.669 -2.428 17.178 1.00 80.20 N ATOM 228 N ARG A 28 13.842 -8.898 13.091 1.00 28.06 N ATOM 229 CA ARG A 28 13.171 -9.186 11.845 1.00 11.91 C ATOM 230 C ARG A 28 12.318 -10.420 12.039 1.00 27.45 C ATOM 231 O ARG A 28 11.163 -10.465 11.632 1.00 45.19 O ATOM 232 CB ARG A 28 14.139 -9.418 10.705 1.00 1.24 C ATOM 233 CG ARG A 28 15.008 -8.201 10.409 1.00 6.48 C ATOM 234 CD ARG A 28 15.624 -8.315 9.040 1.00 7.91 C ATOM 235 NE ARG A 28 16.479 -9.492 8.891 1.00 31.79 N ATOM 236 CZ ARG A 28 17.811 -9.458 9.162 1.00 16.29 C ATOM 237 NH1 ARG A 28 18.601 -10.488 8.964 1.00 18.88 N ATOM 238 NH2 ARG A 28 18.369 -8.377 9.676 1.00 22.42 N ATOM 239 N LYS A 29 12.961 -11.433 12.641 1.00 27.01 N ATOM 240 CA LYS A 29 12.386 -12.729 12.859 1.00 9.06 C ATOM 241 C LYS A 29 11.047 -12.746 13.618 1.00 43.18 C ATOM 242 O LYS A 29 10.166 -13.607 13.411 1.00 22.49 O ATOM 243 CB LYS A 29 13.348 -13.658 13.574 1.00 5.38 C ATOM 244 CG LYS A 29 12.965 -15.112 13.324 1.00 28.68 C ATOM 245 CD LYS A 29 13.957 -15.882 12.467 1.00 36.86 C ATOM 246 CE LYS A 29 13.682 -15.814 10.975 1.00 68.54 C ATOM 247 NZ LYS A 29 12.623 -16.737 10.487 1.00 62.38 N ATOM 248 N LEU A 30 10.953 -11.875 14.588 1.00 21.56 N ATOM 249 CA LEU A 30 9.798 -11.739 15.431 1.00 30.14 C ATOM 250 C LEU A 30 8.783 -10.890 14.696 1.00 29.74 C ATOM 251 O LEU A 30 7.601 -11.037 14.876 1.00 36.88 O ATOM 252 CB LEU A 30 10.208 -10.997 16.707 1.00 22.69 C ATOM 253 CG LEU A 30 11.083 -11.767 17.701 1.00 34.23 C ATOM 254 CD1 LEU A 30 11.305 -10.907 18.937 1.00 21.80 C ATOM 255 CD2 LEU A 30 10.394 -13.052 18.111 1.00 30.22 C ATOM 256 N GLY A 31 9.280 -10.007 13.827 1.00 33.65 N ATOM 257 CA GLY A 31 8.476 -9.079 13.054 1.00 21.91 C ATOM 258 C GLY A 31 7.748 -9.780 11.932 1.00 18.07 C ATOM 259 O GLY A 31 6.675 -9.367 11.519 1.00 10.99 O ATOM 260 N ALA A 32 8.323 -10.901 11.496 1.00 19.85 N ATOM 261 CA ALA A 32 7.693 -11.778 10.534 1.00 15.22 C ATOM 262 C ALA A 32 6.472 -12.526 11.167 1.00 56.85 C ATOM 263 O ALA A 32 5.545 -12.910 10.464 1.00 11.78 O ATOM 264 CB ALA A 32 8.710 -12.724 9.880 1.00 7.27 C ATOM 265 N HIS A 33 6.444 -12.639 12.507 1.00 35.52 N ATOM 266 CA HIS A 33 5.462 -13.363 13.301 1.00 23.44 C ATOM 267 C HIS A 33 4.571 -12.509 14.216 1.00 4.75 C ATOM 268 O HIS A 33 3.948 -13.001 15.161 1.00 46.25 O ATOM 269 CB HIS A 33 6.280 -14.280 14.184 1.00 12.27 C ATOM 270 CG HIS A 33 6.746 -15.288 13.260 1.00 21.34 C ATOM 271 ND1 HIS A 33 8.010 -15.208 12.728 1.00 39.15 N ATOM 272 CD2 HIS A 33 6.028 -16.233 12.606 1.00 44.15 C ATOM 273 CE1 HIS A 33 8.044 -16.165 11.821 1.00 59.94 C ATOM 274 NE2 HIS A 33 6.879 -16.799 11.717 1.00 24.29 N ATOM 275 N ASP A 34 4.430 -11.258 13.812 1.00 20.50 N ATOM 276 CA ASP A 34 3.917 -10.171 14.617 1.00 20.28 C ATOM 277 C ASP A 34 2.444 -10.114 14.949 1.00 29.58 C ATOM 278 O ASP A 34 2.081 -9.356 15.841 1.00 12.53 O ATOM 279 CB ASP A 34 4.460 -8.824 14.164 1.00 16.89 C ATOM 280 CG ASP A 34 3.816 -8.315 12.914 1.00 18.97 C ATOM 281 OD1 ASP A 34 3.863 -7.132 12.609 1.00 26.66 O ATOM 282 OD2 ASP A 34 3.181 -9.237 12.217 1.00 22.61 O ATOM 283 N ASN A 35 1.631 -10.873 14.222 1.00 38.49 N ATOM 284 CA ASN A 35 0.198 -10.935 14.475 1.00 15.14 C ATOM 285 C ASN A 35 -0.422 -9.548 14.417 1.00 33.27 C ATOM 286 O ASN A 35 -1.127 -9.186 15.353 1.00 19.37 O ATOM 287 CB ASN A 35 -0.109 -11.411 15.911 1.00 41.01 C ATOM 288 CG ASN A 35 0.269 -12.820 16.327 1.00 24.60 C ATOM 289 OD1 ASN A 35 -0.210 -13.267 17.382 1.00 71.33 O ATOM 290 ND2 ASN A 35 1.187 -13.482 15.600 1.00 50.82 N ATOM 291 N LEU A 36 -0.148 -8.835 13.327 1.00 18.81 N ATOM 292 CA LEU A 36 -0.574 -7.499 13.179 1.00 44.29 C ATOM 293 C LEU A 36 -2.029 -7.392 12.766 1.00 9.45 C ATOM 294 O LEU A 36 -2.556 -8.150 11.943 1.00 29.81 O ATOM 295 CB LEU A 36 0.437 -6.747 12.318 1.00 13.46 C ATOM 296 CG LEU A 36 0.109 -5.309 11.940 1.00 13.53 C ATOM 297 CD1 LEU A 36 0.439 -4.364 13.074 1.00 14.45 C ATOM 298 CD2 LEU A 36 0.892 -4.952 10.696 1.00 13.47 C ATOM 299 N LYS A 37 -2.644 -6.413 13.373 1.00 14.31 N ATOM 300 CA LYS A 37 -4.023 -6.101 13.187 1.00 22.92 C ATOM 301 C LYS A 37 -4.247 -4.636 13.266 1.00 19.07 C ATOM 302 O LYS A 37 -3.813 -4.030 14.248 1.00 14.96 O ATOM 303 CB LYS A 37 -4.764 -6.634 14.376 1.00 59.06 C ATOM 304 CG LYS A 37 -6.236 -6.696 14.106 1.00 47.48 C ATOM 305 CD LYS A 37 -6.817 -7.777 14.952 1.00 12.40 C ATOM 306 CE LYS A 37 -6.784 -7.386 16.420 1.00 4.29 C ATOM 307 NZ LYS A 37 -7.557 -8.337 17.219 1.00 42.05 N ATOM 308 N LEU A 38 -5.052 -4.137 12.310 1.00 13.41 N ATOM 309 CA LEU A 38 -5.413 -2.734 12.193 1.00 10.00 C ATOM 310 C LEU A 38 -6.927 -2.626 12.350 1.00 15.41 C ATOM 311 O LEU A 38 -7.667 -3.475 11.874 1.00 33.85 O ATOM 312 CB LEU A 38 -4.944 -2.038 10.900 1.00 12.49 C ATOM 313 CG LEU A 38 -3.451 -1.958 10.487 1.00 10.62 C ATOM 314 CD1 LEU A 38 -2.398 -1.941 11.615 1.00 12.36 C ATOM 315 CD2 LEU A 38 -3.131 -3.011 9.449 1.00 25.66 C ATOM 316 N THR A 39 -7.324 -1.704 13.214 1.00 11.65 N ATOM 317 CA THR A 39 -8.694 -1.353 13.478 1.00 13.46 C ATOM 318 C THR A 39 -8.715 0.096 13.141 1.00 20.43 C ATOM 319 O THR A 39 -8.121 0.894 13.900 1.00 14.10 O ATOM 320 CB THR A 39 -9.073 -1.562 14.958 1.00 4.56 C ATOM 321 OG1 THR A 39 -9.066 -2.909 15.237 1.00 13.77 O ATOM 322 CG2 THR A 39 -10.459 -0.990 15.254 1.00 12.30 C ATOM 323 N ILE A 40 -9.316 0.345 11.975 1.00 20.97 N ATOM 324 CA ILE A 40 -9.345 1.630 11.333 1.00 8.18 C ATOM 325 C ILE A 40 -10.674 2.349 11.496 1.00 35.99 C ATOM 326 O ILE A 40 -11.714 1.732 11.292 1.00 19.05 O ATOM 327 CB ILE A 40 -8.928 1.472 9.874 1.00 17.68 C ATOM 328 CG1 ILE A 40 -7.625 0.696 9.798 1.00 6.94 C ATOM 329 CG2 ILE A 40 -8.830 2.841 9.182 1.00 19.88 C ATOM 330 CD1 ILE A 40 -7.062 0.583 8.386 1.00 35.59 C ATOM 331 N THR A 41 -10.595 3.622 11.943 1.00 23.63 N ATOM 332 CA THR A 41 -11.734 4.517 12.097 1.00 19.89 C ATOM 333 C THR A 41 -11.556 5.835 11.385 1.00 15.08 C ATOM 334 O THR A 41 -10.705 6.622 11.746 1.00 31.00 O ATOM 335 CB THR A 41 -12.064 4.919 13.530 1.00 11.59 C ATOM 336 OG1 THR A 41 -12.303 3.804 14.336 1.00 41.44 O ATOM 337 CG2 THR A 41 -13.325 5.785 13.440 1.00 40.09 C ATOM 338 N GLN A 42 -12.452 6.124 10.464 1.00 27.56 N ATOM 339 CA GLN A 42 -12.419 7.415 9.839 1.00 11.67 C ATOM 340 C GLN A 42 -13.430 8.365 10.461 1.00 46.29 C ATOM 341 O GLN A 42 -14.617 8.054 10.577 1.00 67.06 O ATOM 342 CB GLN A 42 -12.538 7.335 8.336 1.00 8.88 C ATOM 343 CG GLN A 42 -12.270 8.716 7.708 1.00 51.20 C ATOM 344 CD GLN A 42 -12.507 8.728 6.214 1.00 79.16 C ATOM 345 OE1 GLN A 42 -13.004 7.737 5.639 1.00 41.48 O ATOM 346 NE2 GLN A 42 -12.144 9.854 5.581 1.00 38.64 N ATOM 347 N GLU A 43 -12.915 9.486 10.943 1.00 26.35 N ATOM 348 CA GLU A 43 -13.694 10.522 11.571 1.00 10.16 C ATOM 349 C GLU A 43 -13.522 11.824 10.804 1.00 20.86 C ATOM 350 O GLU A 43 -12.921 12.780 11.234 1.00 50.47 O ATOM 351 CB GLU A 43 -13.523 10.641 13.103 1.00 16.16 C ATOM 352 CG GLU A 43 -13.835 9.305 13.850 1.00 26.95 C ATOM 353 CD GLU A 43 -13.324 9.220 15.295 1.00 83.56 C ATOM 354 OE1 GLU A 43 -13.816 8.530 16.178 1.00 36.37 O ATOM 355 OE2 GLU A 43 -12.239 9.939 15.510 1.00 85.25 O ATOM 356 N GLY A 44 -13.982 11.807 9.586 1.00 18.81 N ATOM 357 CA GLY A 44 -13.784 12.899 8.685 1.00 11.85 C ATOM 358 C GLY A 44 -12.484 12.661 7.889 1.00 33.74 C ATOM 359 O GLY A 44 -12.296 11.694 7.153 1.00 19.89 O ATOM 360 N ASN A 45 -11.545 13.539 8.060 1.00 25.84 N ATOM 361 CA ASN A 45 -10.273 13.358 7.424 1.00 37.24 C ATOM 362 C ASN A 45 -9.308 12.939 8.496 1.00 52.47 C ATOM 363 O ASN A 45 -8.135 12.763 8.234 1.00 19.84 O ATOM 364 CB ASN A 45 -9.793 14.642 6.746 1.00 41.02 C ATOM 365 CG ASN A 45 -9.630 15.774 7.740 1.00 55.44 C ATOM 366 OD1 ASN A 45 -10.505 15.950 8.636 1.00 68.40 O ATOM 367 ND2 ASN A 45 -8.524 16.550 7.586 1.00 82.27 N ATOM 368 N LYS A 46 -9.838 12.837 9.705 1.00 16.48 N ATOM 369 CA LYS A 46 -9.063 12.311 10.757 1.00 13.31 C ATOM 370 C LYS A 46 -9.185 10.811 10.967 1.00 25.18 C ATOM 371 O LYS A 46 -10.244 10.290 11.316 1.00 35.44 O ATOM 372 CB LYS A 46 -9.206 13.041 12.054 1.00 11.32 C ATOM 373 CG LYS A 46 -8.387 12.294 13.071 1.00 15.82 C ATOM 374 CD LYS A 46 -8.613 12.741 14.504 1.00 50.02 C ATOM 375 CE LYS A 46 -10.019 12.463 15.024 1.00 28.65 C ATOM 376 NZ LYS A 46 -10.530 11.162 14.585 1.00 56.99 N ATOM 377 N PHE A 47 -8.088 10.120 10.749 1.00 38.92 N ATOM 378 CA PHE A 47 -8.001 8.665 10.842 1.00 1.00 C ATOM 379 C PHE A 47 -7.307 8.224 12.135 1.00 9.65 C ATOM 380 O PHE A 47 -6.258 8.739 12.536 1.00 26.38 O ATOM 381 CB PHE A 47 -7.273 8.060 9.624 1.00 36.90 C ATOM 382 CG PHE A 47 -7.965 7.986 8.249 1.00 18.38 C ATOM 383 CD1 PHE A 47 -8.260 6.752 7.659 1.00 27.01 C ATOM 384 CD2 PHE A 47 -8.171 9.130 7.476 1.00 33.40 C ATOM 385 CE1 PHE A 47 -8.843 6.667 6.392 1.00 41.78 C ATOM 386 CE2 PHE A 47 -8.731 9.073 6.188 1.00 10.88 C ATOM 387 CZ PHE A 47 -9.061 7.833 5.662 1.00 20.89 C ATOM 388 N THR A 48 -7.875 7.211 12.775 1.00 18.90 N ATOM 389 CA THR A 48 -7.320 6.600 13.955 1.00 13.20 C ATOM 390 C THR A 48 -7.095 5.168 13.580 1.00 31.11 C ATOM 391 O THR A 48 -7.959 4.545 12.996 1.00 9.67 O ATOM 392 CB THR A 48 -8.227 6.764 15.210 1.00 21.16 C ATOM 393 OG1 THR A 48 -8.457 8.133 15.388 1.00 25.10 O ATOM 394 CG2 THR A 48 -7.614 6.215 16.510 1.00 10.62 C ATOM 395 N VAL A 49 -5.894 4.686 13.760 1.00 29.32 N ATOM 396 CA VAL A 49 -5.612 3.277 13.496 1.00 21.36 C ATOM 397 C VAL A 49 -5.099 2.592 14.748 1.00 14.60 C ATOM 398 O VAL A 49 -4.133 3.068 15.353 1.00 41.37 O ATOM 399 CB VAL A 49 -4.910 2.881 12.179 1.00 28.50 C ATOM 400 CG1 VAL A 49 -4.588 4.053 11.246 1.00 17.08 C ATOM 401 CG2 VAL A 49 -3.630 2.123 12.435 1.00 22.28 C ATOM 402 N LYS A 50 -5.863 1.613 15.266 1.00 15.76 N ATOM 403 CA LYS A 50 -5.431 1.002 16.472 1.00 13.55 C ATOM 404 C LYS A 50 -4.502 -0.028 15.923 1.00 50.28 C ATOM 405 O LYS A 50 -4.917 -0.877 15.158 1.00 28.36 O ATOM 406 CB LYS A 50 -6.536 0.368 17.324 1.00 19.95 C ATOM 407 CG LYS A 50 -6.200 0.045 18.788 1.00 63.29 C ATOM 408 CD LYS A 50 -5.385 -1.234 19.056 1.00 44.12 C ATOM 409 CE LYS A 50 -4.039 -0.951 19.707 1.00 26.12 C ATOM 410 NZ LYS A 50 -4.102 -0.113 20.919 1.00 33.24 N ATOM 411 N GLU A 51 -3.235 0.147 16.210 1.00 33.54 N ATOM 412 CA GLU A 51 -2.303 -0.781 15.713 1.00 22.07 C ATOM 413 C GLU A 51 -1.894 -1.738 16.838 1.00 27.45 C ATOM 414 O GLU A 51 -1.545 -1.370 17.963 1.00 32.27 O ATOM 415 CB GLU A 51 -1.125 -0.108 15.010 1.00 12.35 C ATOM 416 CG GLU A 51 -0.111 -1.211 14.719 1.00 46.36 C ATOM 417 CD GLU A 51 1.317 -0.775 14.713 1.00 55.67 C ATOM 418 OE1 GLU A 51 2.213 -1.545 14.984 1.00 69.63 O ATOM 419 OE2 GLU A 51 1.492 0.475 14.327 1.00 21.60 O ATOM 420 N SER A 52 -2.092 -3.011 16.603 1.00 26.17 N ATOM 421 CA SER A 52 -1.942 -4.007 17.626 1.00 13.84 C ATOM 422 C SER A 52 -1.040 -5.145 17.167 1.00 7.84 C ATOM 423 O SER A 52 -1.250 -5.728 16.132 1.00 39.63 O ATOM 424 CB SER A 52 -3.315 -4.528 18.044 1.00 22.62 C ATOM 425 OG SER A 52 -3.197 -5.445 19.100 1.00 30.68 O ATOM 426 N SER A 53 0.032 -5.439 17.885 1.00 49.62 N ATOM 427 CA SER A 53 0.936 -6.481 17.428 1.00 22.46 C ATOM 428 C SER A 53 1.472 -7.296 18.611 1.00 50.97 C ATOM 429 O SER A 53 1.026 -7.154 19.759 1.00 38.60 O ATOM 430 CB SER A 53 2.070 -5.915 16.559 1.00 17.96 C ATOM 431 OG SER A 53 2.706 -4.800 17.169 1.00 22.61 O ATOM 432 N ASN A 54 2.432 -8.179 18.335 1.00 67.15 N ATOM 433 CA ASN A 54 3.029 -8.920 19.416 1.00 16.22 C ATOM 434 C ASN A 54 4.056 -8.026 20.158 1.00 11.49 C ATOM 435 O ASN A 54 4.372 -8.230 21.332 1.00 53.05 O ATOM 436 CB ASN A 54 3.578 -10.313 18.992 1.00 31.00 C ATOM 437 CG ASN A 54 2.558 -11.456 18.791 1.00 29.21 C ATOM 438 OD1 ASN A 54 1.399 -11.450 19.239 1.00 32.79 O ATOM 439 ND2 ASN A 54 2.986 -12.497 18.100 1.00 18.55 N ATOM 440 N PHE A 55 4.490 -6.939 19.477 1.00 22.75 N ATOM 441 CA PHE A 55 5.465 -5.960 19.960 1.00 21.94 C ATOM 442 C PHE A 55 4.784 -4.851 20.687 1.00 22.94 C ATOM 443 O PHE A 55 5.338 -4.222 21.567 1.00 28.90 O ATOM 444 CB PHE A 55 6.154 -5.185 18.826 1.00 13.53 C ATOM 445 CG PHE A 55 7.005 -6.017 17.928 1.00 26.26 C ATOM 446 CD1 PHE A 55 8.225 -6.526 18.376 1.00 71.00 C ATOM 447 CD2 PHE A 55 6.608 -6.271 16.614 1.00 58.35 C ATOM 448 CE1 PHE A 55 9.058 -7.273 17.539 1.00 42.93 C ATOM 449 CE2 PHE A 55 7.427 -7.030 15.774 1.00 71.93 C ATOM 450 CZ PHE A 55 8.635 -7.533 16.242 1.00 41.52 C ATOM 451 N ARG A 56 3.649 -4.477 20.166 1.00 18.73 N ATOM 452 CA ARG A 56 2.985 -3.317 20.736 1.00 51.46 C ATOM 453 C ARG A 56 1.503 -3.175 20.445 1.00 31.49 C ATOM 454 O ARG A 56 0.884 -3.849 19.611 1.00 44.25 O ATOM 455 CB ARG A 56 3.717 -1.970 20.564 1.00 30.48 C ATOM 456 CG ARG A 56 3.402 -1.109 19.312 1.00 30.92 C ATOM 457 CD ARG A 56 4.691 -0.424 18.887 1.00 12.82 C ATOM 458 NE ARG A 56 4.747 0.679 17.914 1.00 19.81 N ATOM 459 CZ ARG A 56 4.358 0.702 16.664 1.00 9.75 C ATOM 460 NH1 ARG A 56 4.609 1.760 15.899 1.00 25.06 N ATOM 461 NH2 ARG A 56 3.654 -0.294 16.187 1.00 72.19 N ATOM 462 N ASN A 57 0.982 -2.224 21.169 1.00 20.60 N ATOM 463 CA ASN A 57 -0.406 -1.845 21.123 1.00 42.05 C ATOM 464 C ASN A 57 -0.593 -0.317 21.038 1.00 37.90 C ATOM 465 O ASN A 57 -0.609 0.396 22.056 1.00 22.43 O ATOM 466 CB ASN A 57 -1.051 -2.434 22.358 1.00 30.62 C ATOM 467 CG ASN A 57 -2.441 -2.836 22.105 1.00 34.11 C ATOM 468 OD1 ASN A 57 -3.328 -1.975 22.201 1.00 88.73 O ATOM 469 ND2 ASN A 57 -2.650 -4.120 21.750 1.00 32.55 N ATOM 470 N ILE A 58 -0.737 0.192 19.823 1.00 22.27 N ATOM 471 CA ILE A 58 -0.776 1.630 19.637 1.00 33.44 C ATOM 472 C ILE A 58 -1.970 2.253 18.873 1.00 34.85 C ATOM 473 O ILE A 58 -2.443 1.749 17.873 1.00 23.02 O ATOM 474 CB ILE A 58 0.570 1.975 18.972 1.00 36.21 C ATOM 475 CG1 ILE A 58 1.357 2.977 19.777 1.00 44.89 C ATOM 476 CG2 ILE A 58 0.494 2.275 17.486 1.00 27.75 C ATOM 477 CD1 ILE A 58 1.845 2.343 21.079 1.00 30.90 C ATOM 478 N ASP A 59 -2.374 3.464 19.256 1.00 19.38 N ATOM 479 CA ASP A 59 -3.386 4.115 18.463 1.00 19.26 C ATOM 480 C ASP A 59 -2.743 5.151 17.614 1.00 16.52 C ATOM 481 O ASP A 59 -2.228 6.124 18.103 1.00 33.88 O ATOM 482 CB ASP A 59 -4.441 4.811 19.291 1.00 26.75 C ATOM 483 CG ASP A 59 -5.213 3.826 20.146 1.00 40.70 C ATOM 484 OD1 ASP A 59 -5.255 2.638 19.992 1.00 40.59 O ATOM 485 OD2 ASP A 59 -5.850 4.392 21.117 1.00 45.57 O ATOM 486 N VAL A 60 -2.800 4.953 16.321 1.00 46.41 N ATOM 487 CA VAL A 60 -2.211 5.903 15.414 1.00 42.80 C ATOM 488 C VAL A 60 -3.262 6.883 14.940 1.00 18.26 C ATOM 489 O VAL A 60 -4.110 6.532 14.167 1.00 29.47 O ATOM 490 CB VAL A 60 -1.532 5.247 14.184 1.00 48.47 C ATOM 491 CG1 VAL A 60 -0.801 6.311 13.347 1.00 25.37 C ATOM 492 CG2 VAL A 60 -0.592 4.115 14.588 1.00 20.05 C ATOM 493 N VAL A 61 -3.132 8.133 15.318 1.00 23.95 N ATOM 494 CA VAL A 61 -3.957 9.175 14.798 1.00 30.52 C ATOM 495 C VAL A 61 -3.290 10.114 13.789 1.00 20.94 C ATOM 496 O VAL A 61 -2.114 10.477 13.894 1.00 32.44 O ATOM 497 CB VAL A 61 -5.141 9.611 15.649 1.00 15.28 C ATOM 498 CG1 VAL A 61 -4.830 9.492 17.132 1.00 19.44 C ATOM 499 CG2 VAL A 61 -5.605 11.003 15.327 1.00 10.09 C ATOM 500 N PHE A 62 -3.974 10.375 12.685 1.00 19.91 N ATOM 501 CA PHE A 62 -3.415 11.207 11.618 1.00 44.46 C ATOM 502 C PHE A 62 -4.489 11.937 10.827 1.00 35.27 C ATOM 503 O PHE A 62 -5.554 11.382 10.624 1.00 15.51 O ATOM 504 CB PHE A 62 -2.454 10.409 10.691 1.00 11.93 C ATOM 505 CG PHE A 62 -3.074 9.311 9.848 1.00 13.86 C ATOM 506 CD1 PHE A 62 -3.048 7.975 10.269 1.00 22.06 C ATOM 507 CD2 PHE A 62 -3.585 9.582 8.575 1.00 12.71 C ATOM 508 CE1 PHE A 62 -3.545 6.939 9.467 1.00 13.33 C ATOM 509 CE2 PHE A 62 -4.134 8.569 7.793 1.00 6.86 C ATOM 510 CZ PHE A 62 -4.042 7.239 8.203 1.00 6.46 C ATOM 511 N GLU A 63 -4.232 13.176 10.394 1.00 32.67 N ATOM 512 CA GLU A 63 -5.182 13.816 9.490 1.00 16.18 C ATOM 513 C GLU A 63 -4.605 13.918 8.121 1.00 27.63 C ATOM 514 O GLU A 63 -3.443 14.297 7.970 1.00 20.91 O ATOM 515 CB GLU A 63 -5.839 15.118 9.926 1.00 12.48 C ATOM 516 CG GLU A 63 -5.713 15.469 11.403 1.00 31.61 C ATOM 517 CD GLU A 63 -5.364 16.895 11.385 1.00 48.18 C ATOM 518 OE1 GLU A 63 -4.450 17.371 12.036 1.00 75.78 O ATOM 519 OE2 GLU A 63 -5.954 17.506 10.380 1.00 51.44 O ATOM 520 N LEU A 64 -5.403 13.454 7.174 1.00 17.94 N ATOM 521 CA LEU A 64 -4.987 13.426 5.802 1.00 12.74 C ATOM 522 C LEU A 64 -4.261 14.710 5.348 1.00 25.70 C ATOM 523 O LEU A 64 -4.804 15.808 5.438 1.00 13.81 O ATOM 524 CB LEU A 64 -6.144 13.160 4.834 1.00 29.30 C ATOM 525 CG LEU A 64 -6.792 11.784 4.918 1.00 17.28 C ATOM 526 CD1 LEU A 64 -8.017 11.858 4.026 1.00 12.70 C ATOM 527 CD2 LEU A 64 -5.903 10.714 4.345 1.00 19.13 C ATOM 528 N GLY A 65 -3.044 14.546 4.741 1.00 21.63 N ATOM 529 CA GLY A 65 -2.352 15.712 4.281 1.00 1.00 C ATOM 530 C GLY A 65 -1.548 16.516 5.351 1.00 21.63 C ATOM 531 O GLY A 65 -0.829 17.478 5.017 1.00 30.99 O ATOM 532 N VAL A 66 -1.595 16.120 6.618 1.00 31.77 N ATOM 533 CA VAL A 66 -0.805 16.810 7.627 1.00 15.96 C ATOM 534 C VAL A 66 0.310 15.950 8.220 1.00 8.12 C ATOM 535 O VAL A 66 0.094 14.778 8.540 1.00 13.61 O ATOM 536 CB VAL A 66 -1.574 17.755 8.569 1.00 13.87 C ATOM 537 CG1 VAL A 66 -3.078 17.586 8.490 1.00 22.46 C ATOM 538 CG2 VAL A 66 -1.148 17.648 10.025 1.00 16.56 C ATOM 539 N ASP A 67 1.544 16.437 8.153 1.00 39.19 N ATOM 540 CA ASP A 67 2.655 15.593 8.572 1.00 13.72 C ATOM 541 C ASP A 67 2.532 15.186 10.008 1.00 14.91 C ATOM 542 O ASP A 67 2.249 15.995 10.882 1.00 23.33 O ATOM 543 CB ASP A 67 4.077 16.182 8.444 1.00 45.50 C ATOM 544 CG ASP A 67 4.382 16.991 7.240 1.00 28.98 C ATOM 545 OD1 ASP A 67 4.950 18.072 7.310 1.00 35.99 O ATOM 546 OD2 ASP A 67 4.055 16.386 6.142 1.00 37.48 O ATOM 547 N PHE A 68 2.856 13.929 10.243 1.00 20.23 N ATOM 548 CA PHE A 68 2.918 13.431 11.574 1.00 11.55 C ATOM 549 C PHE A 68 4.198 12.594 11.749 1.00 28.40 C ATOM 550 O PHE A 68 4.894 12.186 10.816 1.00 20.55 O ATOM 551 CB PHE A 68 1.590 12.735 12.039 1.00 4.45 C ATOM 552 CG PHE A 68 1.341 11.478 11.272 1.00 7.21 C ATOM 553 CD1 PHE A 68 1.666 10.228 11.792 1.00 22.57 C ATOM 554 CD2 PHE A 68 0.792 11.546 10.002 1.00 23.52 C ATOM 555 CE1 PHE A 68 1.513 9.067 11.028 1.00 4.27 C ATOM 556 CE2 PHE A 68 0.837 10.431 9.162 1.00 10.33 C ATOM 557 CZ PHE A 68 1.147 9.181 9.694 1.00 11.12 C ATOM 558 N ALA A 69 4.550 12.412 12.998 1.00 27.52 N ATOM 559 CA ALA A 69 5.656 11.586 13.385 1.00 31.87 C ATOM 560 C ALA A 69 5.164 10.154 13.804 1.00 34.17 C ATOM 561 O ALA A 69 4.147 9.928 14.484 1.00 22.99 O ATOM 562 CB ALA A 69 6.363 12.327 14.487 1.00 11.03 C ATOM 563 N TYR A 70 5.794 9.141 13.263 1.00 19.79 N ATOM 564 CA TYR A 70 5.453 7.749 13.490 1.00 12.77 C ATOM 565 C TYR A 70 6.755 7.007 13.847 1.00 17.16 C ATOM 566 O TYR A 70 7.766 7.307 13.240 1.00 26.85 O ATOM 567 CB TYR A 70 4.850 7.188 12.161 1.00 28.46 C ATOM 568 CG TYR A 70 4.636 5.717 12.298 1.00 32.39 C ATOM 569 CD1 TYR A 70 5.449 4.805 11.650 1.00 31.04 C ATOM 570 CD2 TYR A 70 3.771 5.264 13.307 1.00 17.31 C ATOM 571 CE1 TYR A 70 5.301 3.430 11.897 1.00 25.55 C ATOM 572 CE2 TYR A 70 3.615 3.917 13.571 1.00 20.21 C ATOM 573 CZ TYR A 70 4.364 3.000 12.818 1.00 22.36 C ATOM 574 OH TYR A 70 4.208 1.658 13.057 1.00 35.99 O ATOM 575 N SER A 71 6.750 6.056 14.803 1.00 22.39 N ATOM 576 CA SER A 71 7.918 5.230 15.205 1.00 32.34 C ATOM 577 C SER A 71 7.643 3.792 14.795 1.00 33.08 C ATOM 578 O SER A 71 6.590 3.238 15.103 1.00 28.13 O ATOM 579 CB SER A 71 8.177 5.196 16.716 1.00 20.38 C ATOM 580 OG SER A 71 8.216 6.475 17.335 1.00 33.37 O ATOM 581 N LEU A 72 8.582 3.124 14.164 1.00 47.38 N ATOM 582 CA LEU A 72 8.289 1.755 13.821 1.00 17.34 C ATOM 583 C LEU A 72 8.353 0.923 15.088 1.00 24.62 C ATOM 584 O LEU A 72 8.783 1.455 16.106 1.00 21.45 O ATOM 585 CB LEU A 72 9.147 1.189 12.670 1.00 37.83 C ATOM 586 CG LEU A 72 8.996 1.862 11.269 1.00 13.35 C ATOM 587 CD1 LEU A 72 7.681 1.568 10.563 1.00 37.04 C ATOM 588 CD2 LEU A 72 9.297 3.356 11.298 1.00 38.95 C ATOM 589 N ALA A 73 7.872 -0.328 15.077 1.00 29.81 N ATOM 590 CA ALA A 73 8.036 -1.115 16.271 1.00 17.66 C ATOM 591 C ALA A 73 9.336 -1.800 16.135 1.00 36.64 C ATOM 592 O ALA A 73 9.453 -2.881 15.565 1.00 77.41 O ATOM 593 CB ALA A 73 6.897 -2.072 16.585 1.00 45.06 C ATOM 594 N ASP A 74 10.318 -1.019 16.449 1.00 18.53 N ATOM 595 CA ASP A 74 11.694 -1.392 16.361 1.00 37.93 C ATOM 596 C ASP A 74 12.362 -0.085 16.678 1.00 43.62 C ATOM 597 O ASP A 74 13.562 0.000 17.021 1.00 90.40 O ATOM 598 CB ASP A 74 12.131 -1.964 14.984 1.00 41.71 C ATOM 599 CG ASP A 74 12.951 -0.962 14.225 1.00 50.96 C ATOM 600 OD1 ASP A 74 12.455 -0.209 13.423 1.00 47.05 O ATOM 601 OD2 ASP A 74 14.250 -0.985 14.522 1.00 58.41 O ATOM 602 N GLY A 75 11.508 0.928 16.655 1.00 34.28 N ATOM 603 CA GLY A 75 11.982 2.224 17.030 1.00 21.42 C ATOM 604 C GLY A 75 12.446 3.062 15.873 1.00 12.99 C ATOM 605 O GLY A 75 12.813 4.222 16.077 1.00 86.38 O ATOM 606 N THR A 76 12.386 2.524 14.664 1.00 20.93 N ATOM 607 CA THR A 76 12.685 3.441 13.618 1.00 19.27 C ATOM 608 C THR A 76 11.732 4.624 13.557 1.00 24.66 C ATOM 609 O THR A 76 10.517 4.460 13.568 1.00 18.32 O ATOM 610 CB THR A 76 13.607 3.130 12.426 1.00 22.68 C ATOM 611 OG1 THR A 76 13.312 4.075 11.420 1.00 45.17 O ATOM 612 CG2 THR A 76 13.396 1.755 11.842 1.00 16.78 C ATOM 613 N GLU A 77 12.258 5.824 13.655 1.00 40.54 N ATOM 614 CA GLU A 77 11.359 6.956 13.638 1.00 37.49 C ATOM 615 C GLU A 77 11.171 7.500 12.237 1.00 59.66 C ATOM 616 O GLU A 77 12.111 7.516 11.435 1.00 10.63 O ATOM 617 CB GLU A 77 11.710 8.082 14.629 1.00 33.01 C ATOM 618 CG GLU A 77 11.597 7.737 16.117 1.00 17.78 C ATOM 619 CD GLU A 77 12.027 8.977 16.815 1.00 43.72 C ATOM 620 OE1 GLU A 77 13.063 9.543 16.530 1.00 55.09 O ATOM 621 OE2 GLU A 77 11.080 9.497 17.565 1.00 75.68 O ATOM 622 N LEU A 78 9.937 7.918 11.932 1.00 5.04 N ATOM 623 CA LEU A 78 9.633 8.388 10.595 1.00 7.98 C ATOM 624 C LEU A 78 8.787 9.622 10.653 1.00 18.90 C ATOM 625 O LEU A 78 7.987 9.814 11.574 1.00 13.05 O ATOM 626 CB LEU A 78 8.839 7.335 9.804 1.00 4.94 C ATOM 627 CG LEU A 78 9.385 5.954 9.589 1.00 11.23 C ATOM 628 CD1 LEU A 78 8.265 5.315 8.795 1.00 15.34 C ATOM 629 CD2 LEU A 78 10.647 5.966 8.705 1.00 16.84 C ATOM 630 N THR A 79 8.831 10.409 9.630 1.00 13.19 N ATOM 631 CA THR A 79 7.985 11.592 9.697 1.00 21.93 C ATOM 632 C THR A 79 7.275 11.716 8.339 1.00 15.33 C ATOM 633 O THR A 79 7.852 11.439 7.307 1.00 22.22 O ATOM 634 CB THR A 79 8.922 12.786 10.118 1.00 10.59 C ATOM 635 OG1 THR A 79 8.622 13.329 11.403 1.00 31.52 O ATOM 636 CG2 THR A 79 8.989 13.901 9.141 1.00 13.57 C ATOM 637 N GLY A 80 6.018 12.112 8.249 1.00 20.82 N ATOM 638 CA GLY A 80 5.483 12.220 6.886 1.00 13.27 C ATOM 639 C GLY A 80 3.972 12.378 6.784 1.00 9.48 C ATOM 640 O GLY A 80 3.339 12.780 7.735 1.00 14.06 O ATOM 641 N THR A 81 3.428 12.163 5.587 1.00 12.95 N ATOM 642 CA THR A 81 1.993 12.316 5.278 1.00 35.22 C ATOM 643 C THR A 81 1.384 11.060 4.671 1.00 2.65 C ATOM 644 O THR A 81 2.097 10.290 4.014 1.00 12.95 O ATOM 645 CB THR A 81 1.692 13.516 4.322 1.00 17.45 C ATOM 646 OG1 THR A 81 2.655 13.612 3.279 1.00 37.22 O ATOM 647 CG2 THR A 81 1.577 14.829 5.063 1.00 36.89 C ATOM 648 N TRP A 82 0.057 10.969 4.880 1.00 16.17 N ATOM 649 CA TRP A 82 -0.877 10.120 4.191 1.00 14.04 C ATOM 650 C TRP A 82 -1.867 11.071 3.500 1.00 7.22 C ATOM 651 O TRP A 82 -2.291 12.090 4.046 1.00 13.09 O ATOM 652 CB TRP A 82 -1.672 9.090 5.026 1.00 24.52 C ATOM 653 CG TRP A 82 -0.994 7.867 5.604 1.00 20.67 C ATOM 654 CD1 TRP A 82 -0.681 7.732 6.915 1.00 9.77 C ATOM 655 CD2 TRP A 82 -0.752 6.566 4.997 1.00 21.51 C ATOM 656 NE1 TRP A 82 -0.207 6.475 7.162 1.00 19.67 N ATOM 657 CE2 TRP A 82 -0.230 5.739 6.008 1.00 13.16 C ATOM 658 CE3 TRP A 82 -0.860 6.028 3.720 1.00 15.21 C ATOM 659 CZ2 TRP A 82 0.181 4.437 5.770 1.00 1.00 C ATOM 660 CZ3 TRP A 82 -0.503 4.698 3.508 1.00 8.61 C ATOM 661 CH2 TRP A 82 -0.007 3.905 4.514 1.00 15.53 C ATOM 662 N THR A 83 -2.015 10.822 2.200 1.00 44.45 N ATOM 663 CA THR A 83 -2.954 11.467 1.305 1.00 26.09 C ATOM 664 C THR A 83 -3.740 10.363 0.666 1.00 27.49 C ATOM 665 O THR A 83 -3.239 9.248 0.436 1.00 19.01 O ATOM 666 CB THR A 83 -2.337 12.135 0.078 1.00 12.95 C ATOM 667 OG1 THR A 83 -1.258 11.382 -0.401 1.00 45.81 O ATOM 668 CG2 THR A 83 -2.023 13.607 0.262 1.00 24.57 C ATOM 669 N MET A 84 -4.930 10.720 0.256 1.00 45.17 N ATOM 670 CA MET A 84 -5.785 9.820 -0.456 1.00 17.50 C ATOM 671 C MET A 84 -5.674 10.154 -1.907 1.00 49.93 C ATOM 672 O MET A 84 -5.707 11.348 -2.293 1.00 34.30 O ATOM 673 CB MET A 84 -7.209 9.962 0.020 1.00 8.89 C ATOM 674 CG MET A 84 -7.450 9.090 1.227 1.00 55.20 C ATOM 675 SD MET A 84 -8.781 7.913 0.956 1.00 55.76 S ATOM 676 CE MET A 84 -10.045 8.875 1.799 1.00 16.89 C ATOM 677 N GLU A 85 -5.444 9.062 -2.648 1.00 24.54 N ATOM 678 CA GLU A 85 -5.257 9.073 -4.075 1.00 20.22 C ATOM 679 C GLU A 85 -6.390 8.241 -4.624 1.00 42.09 C ATOM 680 O GLU A 85 -6.273 7.047 -4.840 1.00 43.28 O ATOM 681 CB GLU A 85 -3.843 8.575 -4.494 1.00 33.53 C ATOM 682 CG GLU A 85 -2.994 9.622 -5.261 1.00 29.47 C ATOM 683 CD GLU A 85 -1.495 9.509 -5.078 1.00 74.43 C ATOM 684 OE1 GLU A 85 -0.847 10.148 -4.276 1.00 47.65 O ATOM 685 OE2 GLU A 85 -0.952 8.665 -5.930 1.00 61.91 O ATOM 686 N GLY A 86 -7.536 8.903 -4.741 1.00 54.85 N ATOM 687 CA GLY A 86 -8.755 8.286 -5.174 1.00 19.13 C ATOM 688 C GLY A 86 -9.180 7.233 -4.154 1.00 41.46 C ATOM 689 O GLY A 86 -9.816 7.522 -3.125 1.00 49.20 O ATOM 690 N ASN A 87 -8.785 6.005 -4.421 1.00 35.34 N ATOM 691 CA ASN A 87 -9.223 4.902 -3.613 1.00 75.71 C ATOM 692 C ASN A 87 -8.182 4.409 -2.628 1.00 36.64 C ATOM 693 O ASN A 87 -8.469 3.662 -1.709 1.00 40.72 O ATOM 694 CB ASN A 87 -9.825 3.775 -4.479 1.00 43.68 C ATOM 695 CG ASN A 87 -8.804 2.988 -5.287 1.00 72.23 C ATOM 696 OD1 ASN A 87 -8.018 3.532 -6.101 1.00 56.92 O ATOM 697 ND2 ASN A 87 -8.882 1.670 -5.121 1.00 51.28 N ATOM 698 N LYS A 88 -6.967 4.913 -2.790 1.00 27.29 N ATOM 699 CA LYS A 88 -5.872 4.573 -1.933 1.00 25.86 C ATOM 700 C LYS A 88 -5.528 5.683 -0.991 1.00 18.92 C ATOM 701 O LYS A 88 -5.788 6.871 -1.209 1.00 28.71 O ATOM 702 CB LYS A 88 -4.612 4.386 -2.718 1.00 28.70 C ATOM 703 CG LYS A 88 -4.639 3.254 -3.700 1.00 30.76 C ATOM 704 CD LYS A 88 -3.667 3.594 -4.805 1.00 52.75 C ATOM 705 CE LYS A 88 -4.190 3.192 -6.162 1.00 55.29 C ATOM 706 NZ LYS A 88 -4.459 1.755 -6.214 1.00 84.11 N ATOM 707 N LEU A 89 -4.799 5.213 -0.009 1.00 13.15 N ATOM 708 CA LEU A 89 -4.161 5.960 1.012 1.00 35.64 C ATOM 709 C LEU A 89 -2.674 5.773 0.674 1.00 12.00 C ATOM 710 O LEU A 89 -2.187 4.647 0.578 1.00 26.63 O ATOM 711 CB LEU A 89 -4.562 5.241 2.331 1.00 41.98 C ATOM 712 CG LEU A 89 -4.856 6.005 3.636 1.00 13.51 C ATOM 713 CD1 LEU A 89 -5.790 7.183 3.505 1.00 17.64 C ATOM 714 CD2 LEU A 89 -5.384 5.020 4.671 1.00 26.30 C ATOM 715 N VAL A 90 -1.992 6.843 0.340 1.00 27.36 N ATOM 716 CA VAL A 90 -0.567 6.781 -0.012 1.00 15.68 C ATOM 717 C VAL A 90 0.217 7.494 1.070 1.00 14.53 C ATOM 718 O VAL A 90 0.003 8.677 1.250 1.00 14.09 O ATOM 719 CB VAL A 90 -0.355 7.573 -1.311 1.00 34.26 C ATOM 720 CG1 VAL A 90 1.085 7.528 -1.860 1.00 15.12 C ATOM 721 CG2 VAL A 90 -1.401 7.149 -2.337 1.00 25.47 C ATOM 722 N GLY A 91 1.088 6.798 1.796 1.00 17.38 N ATOM 723 CA GLY A 91 1.915 7.398 2.819 1.00 8.52 C ATOM 724 C GLY A 91 3.286 7.726 2.189 1.00 15.80 C ATOM 725 O GLY A 91 3.809 6.956 1.442 1.00 13.30 O ATOM 726 N LYS A 92 3.850 8.869 2.453 1.00 14.71 N ATOM 727 CA LYS A 92 5.170 9.243 1.974 1.00 37.80 C ATOM 728 C LYS A 92 6.002 9.571 3.206 1.00 28.79 C ATOM 729 O LYS A 92 5.835 10.624 3.741 1.00 14.53 O ATOM 730 CB LYS A 92 5.122 10.528 1.125 1.00 38.76 C ATOM 731 CG LYS A 92 5.635 10.431 -0.305 1.00 45.06 C ATOM 732 CD LYS A 92 4.535 10.233 -1.349 1.00 21.29 C ATOM 733 CE LYS A 92 5.080 10.007 -2.761 1.00 43.57 C ATOM 734 NZ LYS A 92 4.629 10.997 -3.755 1.00 78.05 N ATOM 735 N PHE A 93 6.904 8.699 3.657 1.00 15.80 N ATOM 736 CA PHE A 93 7.669 8.977 4.842 1.00 9.86 C ATOM 737 C PHE A 93 9.160 9.192 4.604 1.00 17.38 C ATOM 738 O PHE A 93 9.679 9.033 3.505 1.00 16.17 O ATOM 739 CB PHE A 93 7.461 7.901 5.921 1.00 12.99 C ATOM 740 CG PHE A 93 6.018 7.896 6.400 1.00 32.32 C ATOM 741 CD1 PHE A 93 5.094 7.035 5.807 1.00 13.71 C ATOM 742 CD2 PHE A 93 5.618 8.767 7.415 1.00 25.96 C ATOM 743 CE1 PHE A 93 3.780 7.018 6.255 1.00 25.41 C ATOM 744 CE2 PHE A 93 4.293 8.796 7.845 1.00 27.77 C ATOM 745 CZ PHE A 93 3.380 7.975 7.200 1.00 13.95 C ATOM 746 N LYS A 94 9.837 9.531 5.677 1.00 14.38 N ATOM 747 CA LYS A 94 11.254 9.707 5.671 1.00 24.96 C ATOM 748 C LYS A 94 11.778 9.509 7.043 1.00 12.25 C ATOM 749 O LYS A 94 11.291 10.075 8.031 1.00 14.24 O ATOM 750 CB LYS A 94 11.731 11.065 5.185 1.00 12.17 C ATOM 751 CG LYS A 94 12.011 11.094 3.703 1.00 23.06 C ATOM 752 CD LYS A 94 12.601 12.418 3.273 1.00 54.46 C ATOM 753 CE LYS A 94 12.842 12.531 1.770 1.00 65.51 C ATOM 754 NZ LYS A 94 11.621 12.814 1.020 1.00 78.25 N ATOM 755 N ARG A 95 12.775 8.637 7.101 1.00 20.02 N ATOM 756 CA ARG A 95 13.425 8.365 8.345 1.00 8.72 C ATOM 757 C ARG A 95 14.079 9.605 8.871 1.00 9.00 C ATOM 758 O ARG A 95 14.595 10.431 8.127 1.00 27.20 O ATOM 759 CB ARG A 95 14.562 7.454 8.179 1.00 2.02 C ATOM 760 CG ARG A 95 14.298 6.085 7.650 1.00 16.13 C ATOM 761 CD ARG A 95 15.646 5.456 7.892 1.00 26.07 C ATOM 762 NE ARG A 95 15.809 4.058 7.610 1.00 51.54 N ATOM 763 CZ ARG A 95 16.447 3.260 8.435 1.00 13.78 C ATOM 764 NH1 ARG A 95 16.622 1.992 8.118 1.00 24.64 N ATOM 765 NH2 ARG A 95 16.921 3.758 9.577 1.00 27.93 N ATOM 766 N VAL A 96 14.041 9.701 10.185 1.00 27.90 N ATOM 767 CA VAL A 96 14.589 10.805 10.935 1.00 25.91 C ATOM 768 C VAL A 96 16.090 10.652 11.095 1.00 15.20 C ATOM 769 O VAL A 96 16.778 11.643 11.237 1.00 12.68 O ATOM 770 CB VAL A 96 13.783 10.992 12.225 1.00 26.05 C ATOM 771 CG1 VAL A 96 14.370 12.067 13.118 1.00 27.41 C ATOM 772 CG2 VAL A 96 12.416 11.478 11.784 1.00 6.53 C ATOM 773 N ASP A 97 16.622 9.441 10.845 1.00 23.12 N ATOM 774 CA ASP A 97 18.061 9.209 10.906 1.00 27.67 C ATOM 775 C ASP A 97 18.768 9.577 9.635 1.00 21.94 C ATOM 776 O ASP A 97 19.508 10.550 9.580 1.00 40.77 O ATOM 777 CB ASP A 97 18.532 7.839 11.446 1.00 4.16 C ATOM 778 CG ASP A 97 17.941 6.645 10.772 1.00 12.05 C ATOM 779 OD1 ASP A 97 18.145 5.535 11.156 1.00 32.90 O ATOM 780 OD2 ASP A 97 17.202 6.883 9.746 1.00 28.70 O ATOM 781 N ASN A 98 18.498 8.762 8.624 1.00 34.73 N ATOM 782 CA ASN A 98 19.102 8.858 7.333 1.00 16.30 C ATOM 783 C ASN A 98 18.380 9.758 6.334 1.00 51.81 C ATOM 784 O ASN A 98 18.998 10.279 5.392 1.00 14.14 O ATOM 785 CB ASN A 98 19.575 7.477 6.807 1.00 18.50 C ATOM 786 CG ASN A 98 18.522 6.458 6.432 1.00 16.96 C ATOM 787 OD1 ASN A 98 17.560 6.769 5.732 1.00 31.04 O ATOM 788 ND2 ASN A 98 18.715 5.207 6.848 1.00 28.75 N ATOM 789 N GLY A 99 17.089 9.979 6.557 1.00 30.08 N ATOM 790 CA GLY A 99 16.356 10.856 5.668 1.00 5.25 C ATOM 791 C GLY A 99 16.018 10.154 4.351 1.00 12.14 C ATOM 792 O GLY A 99 15.698 10.743 3.346 1.00 21.94 O ATOM 793 N LYS A 100 16.153 8.847 4.331 1.00 22.01 N ATOM 794 CA LYS A 100 15.823 8.094 3.154 1.00 26.44 C ATOM 795 C LYS A 100 14.321 7.992 3.157 1.00 26.44 C ATOM 796 O LYS A 100 13.716 7.992 4.229 1.00 16.70 O ATOM 797 CB LYS A 100 16.509 6.724 3.174 1.00 15.99 C ATOM 798 CG LYS A 100 17.964 6.917 2.718 1.00 35.34 C ATOM 799 CD LYS A 100 18.905 5.779 3.026 1.00 46.46 C ATOM 800 CE LYS A 100 20.051 5.694 2.020 1.00 48.10 C ATOM 801 NZ LYS A 100 20.480 7.001 1.529 1.00 31.74 N ATOM 802 N GLU A 101 13.751 8.015 1.977 1.00 16.01 N ATOM 803 CA GLU A 101 12.322 8.049 1.866 1.00 16.81 C ATOM 804 C GLU A 101 11.690 6.639 1.872 1.00 17.25 C ATOM 805 O GLU A 101 12.274 5.666 1.389 1.00 27.07 O ATOM 806 CB GLU A 101 12.001 8.943 0.654 1.00 12.69 C ATOM 807 CG GLU A 101 10.491 9.186 0.395 1.00 73.04 C ATOM 808 CD GLU A 101 10.180 10.567 -0.151 1.00 78.55 C ATOM 809 OE1 GLU A 101 9.513 11.394 0.477 1.00 54.65 O ATOM 810 OE2 GLU A 101 10.697 10.799 -1.337 1.00 43.27 O ATOM 811 N LEU A 102 10.512 6.532 2.474 1.00 25.66 N ATOM 812 CA LEU A 102 9.787 5.281 2.619 1.00 25.23 C ATOM 813 C LEU A 102 8.434 5.473 1.977 1.00 24.38 C ATOM 814 O LEU A 102 7.826 6.481 2.229 1.00 26.96 O ATOM 815 CB LEU A 102 9.626 4.834 4.119 1.00 12.98 C ATOM 816 CG LEU A 102 9.712 3.328 4.383 1.00 23.12 C ATOM 817 CD1 LEU A 102 10.552 2.836 5.569 1.00 31.13 C ATOM 818 CD2 LEU A 102 8.706 2.372 3.752 1.00 24.74 C ATOM 819 N ILE A 103 7.979 4.562 1.119 1.00 11.94 N ATOM 820 CA ILE A 103 6.691 4.788 0.517 1.00 11.12 C ATOM 821 C ILE A 103 5.759 3.685 0.948 1.00 33.30 C ATOM 822 O ILE A 103 6.140 2.519 0.898 1.00 20.23 O ATOM 823 CB ILE A 103 6.741 4.992 -1.009 1.00 17.71 C ATOM 824 CG1 ILE A 103 7.695 6.118 -1.413 1.00 24.24 C ATOM 825 CG2 ILE A 103 5.357 5.258 -1.596 1.00 25.29 C ATOM 826 CD1 ILE A 103 7.315 7.488 -0.878 1.00 23.25 C ATOM 827 N ALA A 104 4.573 4.075 1.442 1.00 26.88 N ATOM 828 CA ALA A 104 3.550 3.147 1.881 1.00 16.21 C ATOM 829 C ALA A 104 2.273 3.373 1.093 1.00 34.15 C ATOM 830 O ALA A 104 1.935 4.505 0.663 1.00 16.19 O ATOM 831 CB ALA A 104 3.247 3.243 3.369 1.00 1.00 C ATOM 832 N VAL A 105 1.586 2.270 0.881 1.00 23.11 N ATOM 833 CA VAL A 105 0.333 2.247 0.166 1.00 13.61 C ATOM 834 C VAL A 105 -0.657 1.296 0.823 1.00 26.16 C ATOM 835 O VAL A 105 -0.298 0.289 1.442 1.00 18.19 O ATOM 836 CB VAL A 105 0.491 2.072 -1.346 1.00 30.22 C ATOM 837 CG1 VAL A 105 1.002 0.685 -1.724 1.00 45.89 C ATOM 838 CG2 VAL A 105 -0.798 2.383 -2.087 1.00 24.54 C ATOM 839 N ARG A 106 -1.905 1.721 0.837 1.00 18.04 N ATOM 840 CA ARG A 106 -2.982 1.007 1.421 1.00 40.88 C ATOM 841 C ARG A 106 -4.123 0.928 0.433 1.00 41.06 C ATOM 842 O ARG A 106 -4.651 2.009 0.093 1.00 27.24 O ATOM 843 CB ARG A 106 -3.437 1.817 2.613 1.00 36.55 C ATOM 844 CG ARG A 106 -3.341 1.138 3.959 1.00 32.36 C ATOM 845 CD ARG A 106 -2.522 1.992 4.901 1.00 21.68 C ATOM 846 NE ARG A 106 -1.943 1.228 5.999 1.00 14.54 N ATOM 847 CZ ARG A 106 -1.856 1.777 7.211 1.00 40.25 C ATOM 848 NH1 ARG A 106 -1.282 1.155 8.255 1.00 28.60 N ATOM 849 NH2 ARG A 106 -2.351 3.022 7.360 1.00 21.18 N ATOM 850 N GLU A 107 -4.358 -0.306 -0.087 1.00 23.45 N ATOM 851 CA GLU A 107 -5.549 -0.640 -0.884 1.00 31.21 C ATOM 852 C GLU A 107 -6.445 -1.715 -0.360 1.00 7.10 C ATOM 853 O GLU A 107 -6.003 -2.756 0.073 1.00 21.68 O ATOM 854 CB GLU A 107 -5.403 -1.109 -2.314 1.00 26.11 C ATOM 855 CG GLU A 107 -4.071 -1.647 -2.761 1.00 50.67 C ATOM 856 CD GLU A 107 -4.020 -1.098 -4.139 1.00 62.76 C ATOM 857 OE1 GLU A 107 -5.036 -1.053 -4.845 1.00 59.97 O ATOM 858 OE2 GLU A 107 -2.919 -0.430 -4.374 1.00 54.33 O ATOM 859 N ILE A 108 -7.724 -1.489 -0.535 1.00 58.91 N ATOM 860 CA ILE A 108 -8.688 -2.519 -0.267 1.00 26.03 C ATOM 861 C ILE A 108 -9.070 -3.204 -1.607 1.00 22.91 C ATOM 862 O ILE A 108 -9.624 -2.615 -2.546 1.00 17.23 O ATOM 863 CB ILE A 108 -9.874 -2.128 0.631 1.00 18.27 C ATOM 864 CG1 ILE A 108 -11.221 -2.473 -0.017 1.00 26.68 C ATOM 865 CG2 ILE A 108 -9.877 -0.702 1.154 1.00 19.23 C ATOM 866 CD1 ILE A 108 -12.360 -2.705 0.974 1.00 48.16 C ATOM 867 N SER A 109 -8.652 -4.466 -1.735 1.00 28.27 N ATOM 868 CA SER A 109 -9.029 -5.252 -2.878 1.00 18.35 C ATOM 869 C SER A 109 -10.101 -6.186 -2.415 1.00 44.44 C ATOM 870 O SER A 109 -9.839 -7.284 -1.924 1.00 55.16 O ATOM 871 CB SER A 109 -7.911 -6.096 -3.473 1.00 52.12 C ATOM 872 OG SER A 109 -6.683 -5.411 -3.491 1.00 92.47 O ATOM 873 N GLY A 110 -11.304 -5.705 -2.532 1.00 45.86 N ATOM 874 CA GLY A 110 -12.465 -6.464 -2.139 1.00 25.83 C ATOM 875 C GLY A 110 -12.616 -6.611 -0.645 1.00 47.18 C ATOM 876 O GLY A 110 -13.223 -5.745 0.000 1.00 41.74 O ATOM 877 N ASN A 111 -12.040 -7.720 -0.157 1.00 41.85 N ATOM 878 CA ASN A 111 -12.012 -8.133 1.247 1.00 45.37 C ATOM 879 C ASN A 111 -10.559 -8.230 1.747 1.00 12.01 C ATOM 880 O ASN A 111 -10.248 -8.739 2.834 1.00 25.98 O ATOM 881 CB ASN A 111 -12.776 -9.464 1.468 1.00 13.52 C ATOM 882 CG ASN A 111 -11.929 -10.675 1.878 1.00 76.98 C ATOM 883 OD1 ASN A 111 -11.582 -11.558 1.041 1.00 66.73 O ATOM 884 ND2 ASN A 111 -11.606 -10.754 3.189 1.00 53.71 N ATOM 885 N GLU A 112 -9.658 -7.681 0.918 1.00 40.46 N ATOM 886 CA GLU A 112 -8.240 -7.658 1.171 1.00 13.44 C ATOM 887 C GLU A 112 -7.806 -6.226 1.369 1.00 20.42 C ATOM 888 O GLU A 112 -8.175 -5.360 0.590 1.00 23.46 O ATOM 889 CB GLU A 112 -7.433 -8.060 -0.078 1.00 22.49 C ATOM 890 CG GLU A 112 -7.201 -9.554 -0.427 1.00 35.85 C ATOM 891 CD GLU A 112 -7.348 -10.550 0.677 1.00 30.38 C ATOM 892 OE1 GLU A 112 -7.966 -10.380 1.686 1.00 26.36 O ATOM 893 OE2 GLU A 112 -6.714 -11.660 0.430 1.00 27.33 O ATOM 894 N LEU A 113 -6.953 -5.988 2.349 1.00 13.01 N ATOM 895 CA LEU A 113 -6.311 -4.698 2.500 1.00 7.92 C ATOM 896 C LEU A 113 -4.831 -5.015 2.195 1.00 32.25 C ATOM 897 O LEU A 113 -4.188 -5.824 2.831 1.00 23.82 O ATOM 898 CB LEU A 113 -6.479 -4.126 3.947 1.00 17.55 C ATOM 899 CG LEU A 113 -5.670 -2.864 4.296 1.00 23.69 C ATOM 900 CD1 LEU A 113 -6.592 -1.675 4.517 1.00 24.42 C ATOM 901 CD2 LEU A 113 -4.885 -3.124 5.578 1.00 46.53 C ATOM 902 N ILE A 114 -4.321 -4.432 1.125 1.00 13.29 N ATOM 903 CA ILE A 114 -2.961 -4.681 0.730 1.00 17.61 C ATOM 904 C ILE A 114 -2.110 -3.481 1.107 1.00 33.57 C ATOM 905 O ILE A 114 -2.434 -2.349 0.735 1.00 13.81 O ATOM 906 CB ILE A 114 -2.954 -4.936 -0.747 1.00 33.22 C ATOM 907 CG1 ILE A 114 -4.300 -5.547 -1.212 1.00 10.93 C ATOM 908 CG2 ILE A 114 -1.662 -5.609 -1.209 1.00 27.36 C ATOM 909 CD1 ILE A 114 -4.336 -7.041 -1.523 1.00 18.44 C ATOM 910 N GLN A 115 -1.042 -3.764 1.869 1.00 51.52 N ATOM 911 CA GLN A 115 -0.040 -2.785 2.296 1.00 60.65 C ATOM 912 C GLN A 115 1.328 -3.096 1.622 1.00 32.59 C ATOM 913 O GLN A 115 1.860 -4.211 1.639 1.00 19.83 O ATOM 914 CB GLN A 115 0.155 -2.756 3.831 1.00 20.39 C ATOM 915 CG GLN A 115 -0.713 -1.817 4.717 1.00 12.18 C ATOM 916 CD GLN A 115 -0.089 -1.692 6.116 1.00 31.80 C ATOM 917 OE1 GLN A 115 -0.682 -1.257 7.110 1.00 55.35 O ATOM 918 NE2 GLN A 115 1.148 -2.139 6.188 1.00 33.60 N ATOM 919 N THR A 116 1.793 -2.122 0.878 1.00 22.81 N ATOM 920 CA THR A 116 3.024 -2.185 0.093 1.00 61.21 C ATOM 921 C THR A 116 4.013 -1.155 0.660 1.00 41.66 C ATOM 922 O THR A 116 3.671 -0.028 1.023 1.00 23.06 O ATOM 923 CB THR A 116 2.732 -1.981 -1.433 1.00 36.03 C ATOM 924 OG1 THR A 116 1.619 -2.739 -1.846 1.00 29.72 O ATOM 925 CG2 THR A 116 3.950 -2.315 -2.305 1.00 23.54 C ATOM 926 N TYR A 117 5.233 -1.596 0.881 1.00 20.54 N ATOM 927 CA TYR A 117 6.267 -0.730 1.427 1.00 8.60 C ATOM 928 C TYR A 117 7.418 -0.702 0.468 1.00 14.10 C ATOM 929 O TYR A 117 7.773 -1.749 -0.070 1.00 17.99 O ATOM 930 CB TYR A 117 6.829 -1.262 2.735 1.00 11.09 C ATOM 931 CG TYR A 117 5.865 -1.749 3.805 1.00 45.46 C ATOM 932 CD1 TYR A 117 4.795 -0.951 4.212 1.00 41.25 C ATOM 933 CD2 TYR A 117 6.046 -2.988 4.418 1.00 26.75 C ATOM 934 CE1 TYR A 117 3.912 -1.381 5.203 1.00 59.89 C ATOM 935 CE2 TYR A 117 5.175 -3.436 5.415 1.00 42.40 C ATOM 936 CZ TYR A 117 4.115 -2.621 5.807 1.00 60.89 C ATOM 937 OH TYR A 117 3.264 -3.051 6.781 1.00 45.90 O ATOM 938 N THR A 118 7.902 0.492 0.177 1.00 22.10 N ATOM 939 CA THR A 118 9.028 0.662 -0.732 1.00 19.72 C ATOM 940 C THR A 118 10.099 1.534 -0.163 1.00 12.47 C ATOM 941 O THR A 118 9.879 2.694 0.201 1.00 10.79 O ATOM 942 CB THR A 118 8.709 1.098 -2.145 1.00 27.38 C ATOM 943 OG1 THR A 118 7.499 0.509 -2.540 1.00 57.57 O ATOM 944 CG2 THR A 118 9.827 0.645 -3.078 1.00 30.67 C ATOM 945 N TYR A 119 11.259 0.900 -0.105 1.00 29.61 N ATOM 946 CA TYR A 119 12.460 1.494 0.413 1.00 49.20 C ATOM 947 C TYR A 119 13.672 1.002 -0.352 1.00 8.36 C ATOM 948 O TYR A 119 13.969 -0.204 -0.416 1.00 9.89 O ATOM 949 CB TYR A 119 12.556 1.200 1.910 1.00 11.23 C ATOM 950 CG TYR A 119 13.786 1.704 2.613 1.00 12.50 C ATOM 951 CD1 TYR A 119 13.788 2.983 3.183 1.00 5.05 C ATOM 952 CD2 TYR A 119 14.874 0.872 2.880 1.00 16.87 C ATOM 953 CE1 TYR A 119 14.903 3.436 3.877 1.00 41.31 C ATOM 954 CE2 TYR A 119 16.028 1.330 3.552 1.00 7.88 C ATOM 955 CZ TYR A 119 16.030 2.609 4.078 1.00 17.95 C ATOM 956 OH TYR A 119 17.098 3.051 4.799 1.00 27.60 O ATOM 957 N GLU A 120 14.301 1.953 -0.991 1.00 24.21 N ATOM 958 CA GLU A 120 15.544 1.715 -1.677 1.00 24.72 C ATOM 959 C GLU A 120 15.514 0.640 -2.721 1.00 35.73 C ATOM 960 O GLU A 120 16.428 -0.192 -2.703 1.00 26.65 O ATOM 961 CB GLU A 120 16.519 1.273 -0.622 1.00 21.79 C ATOM 962 CG GLU A 120 17.012 2.456 0.233 1.00 19.76 C ATOM 963 CD GLU A 120 18.437 2.756 -0.070 1.00 46.64 C ATOM 964 OE1 GLU A 120 18.759 3.622 -0.869 1.00 38.26 O ATOM 965 OE2 GLU A 120 19.268 1.981 0.590 1.00 38.75 O ATOM 966 N GLY A 121 14.437 0.679 -3.546 1.00 22.21 N ATOM 967 CA GLY A 121 14.172 -0.232 -4.613 1.00 7.59 C ATOM 968 C GLY A 121 13.775 -1.596 -4.113 1.00 3.26 C ATOM 969 O GLY A 121 13.801 -2.587 -4.834 1.00 16.76 O ATOM 970 N VAL A 122 13.336 -1.653 -2.898 1.00 19.19 N ATOM 971 CA VAL A 122 12.899 -2.892 -2.322 1.00 36.57 C ATOM 972 C VAL A 122 11.425 -2.717 -1.947 1.00 9.70 C ATOM 973 O VAL A 122 11.004 -1.789 -1.230 1.00 21.34 O ATOM 974 CB VAL A 122 13.793 -3.283 -1.125 1.00 33.57 C ATOM 975 CG1 VAL A 122 13.304 -4.545 -0.436 1.00 12.87 C ATOM 976 CG2 VAL A 122 15.247 -3.470 -1.572 1.00 11.59 C ATOM 977 N GLU A 123 10.622 -3.600 -2.453 1.00 26.52 N ATOM 978 CA GLU A 123 9.190 -3.515 -2.218 1.00 26.54 C ATOM 979 C GLU A 123 8.793 -4.743 -1.430 1.00 31.65 C ATOM 980 O GLU A 123 9.361 -5.824 -1.648 1.00 9.60 O ATOM 981 CB GLU A 123 8.456 -3.305 -3.578 1.00 43.07 C ATOM 982 CG GLU A 123 6.921 -3.498 -3.633 1.00 23.99 C ATOM 983 CD GLU A 123 6.382 -3.249 -5.011 1.00 22.89 C ATOM 984 OE1 GLU A 123 6.324 -2.134 -5.508 1.00 23.81 O ATOM 985 OE2 GLU A 123 6.032 -4.324 -5.610 1.00 23.58 O ATOM 986 N ALA A 124 7.915 -4.534 -0.436 1.00 23.72 N ATOM 987 CA ALA A 124 7.335 -5.615 0.366 1.00 6.94 C ATOM 988 C ALA A 124 5.808 -5.428 0.419 1.00 26.74 C ATOM 989 O ALA A 124 5.352 -4.273 0.500 1.00 18.32 O ATOM 990 CB ALA A 124 7.897 -5.502 1.759 1.00 7.53 C ATOM 991 N LYS A 125 5.053 -6.566 0.384 1.00 39.43 N ATOM 992 CA LYS A 125 3.574 -6.588 0.491 1.00 31.43 C ATOM 993 C LYS A 125 3.137 -7.358 1.735 1.00 17.32 C ATOM 994 O LYS A 125 3.587 -8.484 1.904 1.00 21.26 O ATOM 995 CB LYS A 125 2.886 -7.200 -0.724 1.00 29.18 C ATOM 996 CG LYS A 125 2.921 -6.367 -2.003 1.00 26.09 C ATOM 997 CD LYS A 125 1.905 -6.826 -3.040 1.00 62.64 C ATOM 998 CE LYS A 125 0.645 -5.988 -3.058 1.00 83.41 C ATOM 999 NZ LYS A 125 -0.517 -6.673 -3.625 1.00 84.44 N ATOM 1000 N ARG A 126 2.239 -6.769 2.567 1.00 17.09 N ATOM 1001 CA ARG A 126 1.622 -7.466 3.709 1.00 22.20 C ATOM 1002 C ARG A 126 0.131 -7.499 3.465 1.00 34.51 C ATOM 1003 O ARG A 126 -0.471 -6.447 3.441 1.00 18.01 O ATOM 1004 CB ARG A 126 1.807 -6.701 5.023 1.00 33.21 C ATOM 1005 CG ARG A 126 3.261 -6.458 5.470 1.00 9.66 C ATOM 1006 CD ARG A 126 3.461 -6.532 6.993 1.00 6.17 C ATOM 1007 NE ARG A 126 3.331 -7.867 7.586 1.00 10.12 N ATOM 1008 CZ ARG A 126 3.248 -8.128 8.894 1.00 23.58 C ATOM 1009 NH1 ARG A 126 3.037 -9.350 9.362 1.00 30.52 N ATOM 1010 NH2 ARG A 126 3.302 -7.120 9.755 1.00 23.10 N ATOM 1011 N ILE A 127 -0.473 -8.688 3.337 1.00 47.97 N ATOM 1012 CA ILE A 127 -1.909 -8.818 3.075 1.00 14.02 C ATOM 1013 C ILE A 127 -2.759 -9.186 4.325 1.00 16.34 C ATOM 1014 O ILE A 127 -2.497 -10.165 5.052 1.00 24.69 O ATOM 1015 CB ILE A 127 -2.178 -9.622 1.782 1.00 21.48 C ATOM 1016 CG1 ILE A 127 -1.618 -8.886 0.552 1.00 11.96 C ATOM 1017 CG2 ILE A 127 -3.627 -9.996 1.558 1.00 29.60 C ATOM 1018 CD1 ILE A 127 -0.133 -9.101 0.302 1.00 38.31 C ATOM 1019 N PHE A 128 -3.780 -8.326 4.584 1.00 17.48 N ATOM 1020 CA PHE A 128 -4.709 -8.405 5.714 1.00 27.64 C ATOM 1021 C PHE A 128 -6.116 -8.869 5.299 1.00 18.20 C ATOM 1022 O PHE A 128 -6.638 -8.603 4.235 1.00 9.57 O ATOM 1023 CB PHE A 128 -4.851 -7.058 6.479 1.00 32.32 C ATOM 1024 CG PHE A 128 -3.567 -6.452 7.005 1.00 35.19 C ATOM 1025 CD1 PHE A 128 -3.292 -6.441 8.368 1.00 10.59 C ATOM 1026 CD2 PHE A 128 -2.652 -5.835 6.142 1.00 16.93 C ATOM 1027 CE1 PHE A 128 -2.099 -5.915 8.836 1.00 62.24 C ATOM 1028 CE2 PHE A 128 -1.437 -5.292 6.601 1.00 38.10 C ATOM 1029 CZ PHE A 128 -1.170 -5.343 7.967 1.00 15.15 C ATOM 1030 N LYS A 129 -6.752 -9.577 6.165 1.00 13.38 N ATOM 1031 CA LYS A 129 -8.097 -10.080 5.953 1.00 27.01 C ATOM 1032 C LYS A 129 -9.135 -9.413 6.865 1.00 9.97 C ATOM 1033 O LYS A 129 -8.903 -9.220 8.078 1.00 17.45 O ATOM 1034 CB LYS A 129 -8.019 -11.507 6.360 1.00 37.15 C ATOM 1035 CG LYS A 129 -7.509 -12.384 5.249 1.00 41.54 C ATOM 1036 CD LYS A 129 -8.622 -13.216 4.659 1.00 38.61 C ATOM 1037 CE LYS A 129 -8.245 -13.805 3.328 1.00 60.08 C ATOM 1038 NZ LYS A 129 -7.489 -12.854 2.517 1.00 51.21 N ATOM 1039 N LYS A 130 -10.254 -8.982 6.258 1.00 30.22 N ATOM 1040 CA LYS A 130 -11.353 -8.382 6.976 1.00 21.60 C ATOM 1041 C LYS A 130 -11.897 -9.379 7.990 1.00 12.81 C ATOM 1042 O LYS A 130 -12.179 -10.522 7.697 1.00 27.59 O ATOM 1043 CB LYS A 130 -12.508 -7.941 6.063 1.00 7.60 C ATOM 1044 CG LYS A 130 -13.707 -7.426 6.848 1.00 33.73 C ATOM 1045 CD LYS A 130 -13.510 -5.971 7.290 1.00 23.16 C ATOM 1046 CE LYS A 130 -13.544 -5.009 6.130 1.00 62.58 C ATOM 1047 NZ LYS A 130 -14.847 -4.358 5.953 1.00 50.88 N ATOM 1048 N GLU A 131 -11.920 -8.931 9.226 1.00 22.15 N ATOM 1049 CA GLU A 131 -12.460 -9.650 10.365 1.00 18.76 C ATOM 1050 C GLU A 131 -13.968 -9.356 10.516 1.00 11.62 C ATOM 1051 O GLU A 131 -14.414 -8.332 11.080 1.00 30.02 O ATOM 1052 CB GLU A 131 -11.660 -9.384 11.647 1.00 38.13 C ATOM 1053 CG GLU A 131 -12.316 -9.996 12.897 1.00 28.87 C ATOM 1054 CD GLU A 131 -11.843 -9.458 14.193 1.00 19.37 C ATOM 1055 OE1 GLU A 131 -11.046 -10.052 14.899 1.00 85.82 O ATOM 1056 OE2 GLU A 131 -12.377 -8.298 14.475 1.00 26.31 O ATOM 1057 OXT GLU A 131 -14.744 -10.120 9.947 1.00 19.46 O TER 1058 GLU A 131 HETATM 1059 O HOH A 132 -10.262 -6.798 17.687 1.00 30.38 O HETATM 1060 O HOH A 133 9.407 -5.915 12.871 1.00 33.76 O HETATM 1061 O HOH A 134 -8.746 1.075 -1.979 1.00 26.77 O HETATM 1062 O HOH A 135 0.143 10.250 15.591 1.00 45.73 O HETATM 1063 O HOH A 136 3.462 1.579 8.484 1.00 35.78 O HETATM 1064 O HOH A 137 -6.222 -3.605 16.571 1.00 19.35 O HETATM 1065 O HOH A 138 2.029 18.146 11.397 1.00 20.41 O HETATM 1066 O HOH A 139 4.230 -8.671 -4.988 1.00 21.99 O HETATM 1067 O HOH A 140 -11.693 -13.261 10.981 1.00 37.46 O HETATM 1068 O HOH A 141 3.048 -15.469 4.139 1.00 32.00 O HETATM 1069 O HOH A 142 3.902 -15.378 16.864 1.00 21.39 O HETATM 1070 O HOH A 143 12.390 2.875 -3.845 1.00 30.29 O HETATM 1071 O HOH A 144 2.222 10.052 -5.075 1.00 42.55 O HETATM 1072 O HOH A 145 -12.791 5.920 1.038 1.00 49.91 O HETATM 1073 O HOH A 146 7.604 -12.520 3.011 1.00 37.03 O HETATM 1074 O HOH A 147 0.953 -0.894 9.987 1.00 54.68 O HETATM 1075 O HOH A 148 -9.152 -12.192 -3.197 1.00 48.16 O HETATM 1076 O HOH A 149 3.200 -3.962 -7.671 1.00 56.67 O HETATM 1077 O HOH A 150 4.482 1.506 -1.950 1.00 38.56 O HETATM 1078 O HOH A 151 -16.035 -6.317 8.609 1.00 45.92 O HETATM 1079 O HOH A 152 10.487 -14.954 20.855 1.00 25.15 O HETATM 1080 O HOH A 153 14.385 4.834 -0.160 1.00 20.10 O HETATM 1081 O HOH A 154 17.494 4.703 13.932 1.00 61.23 O HETATM 1082 O HOH A 155 -14.101 -2.660 3.157 1.00 35.23 O HETATM 1083 O HOH A 156 -10.442 8.813 13.449 1.00 25.85 O HETATM 1084 O HOH A 157 2.992 -12.741 9.426 1.00 42.22 O HETATM 1085 O HOH A 158 4.071 -3.622 9.008 1.00 18.36 O HETATM 1086 O HOH A 159 -0.963 3.577 10.226 1.00 26.52 O HETATM 1087 O HOH A 160 6.419 -11.671 17.402 1.00 18.01 O HETATM 1088 O HOH A 161 1.776 4.794 9.618 1.00 19.06 O HETATM 1089 O HOH A 162 -10.653 -10.816 -1.982 1.00 41.83 O HETATM 1090 O HOH A 163 4.787 0.011 -6.092 1.00 24.74 O HETATM 1091 O HOH A 164 -0.633 -1.817 -2.163 1.00 34.62 O HETATM 1092 O HOH A 165 -0.750 13.058 7.203 1.00 13.39 O HETATM 1093 O HOH A 166 -1.671 14.048 10.644 1.00 15.59 O HETATM 1094 O HOH A 167 -2.029 13.199 14.455 1.00 37.99 O HETATM 1095 O HOH A 168 -1.257 4.800 21.997 1.00 29.93 O HETATM 1096 O HOH A 169 7.472 -1.783 8.967 1.00 27.60 O HETATM 1097 O HOH A 170 -13.352 0.057 12.862 1.00 23.42 O HETATM 1098 O HOH A 171 -9.777 2.824 15.452 1.00 27.47 O HETATM 1099 O HOH A 172 8.888 -19.238 9.394 1.00 42.23 O HETATM 1100 O HOH A 173 6.633 -6.135 11.644 1.00 26.55 O HETATM 1101 O HOH A 174 10.081 6.894 19.097 1.00 34.84 O HETATM 1102 O HOH A 175 20.971 10.114 2.648 1.00 31.26 O HETATM 1103 O HOH A 176 7.691 13.358 3.314 1.00 31.91 O HETATM 1104 O HOH A 177 18.662 1.540 5.453 1.00 29.80 O HETATM 1105 O HOH A 178 3.586 -4.330 13.301 1.00 55.14 O HETATM 1106 O HOH A 179 -14.205 -5.739 10.592 1.00 19.18 O HETATM 1107 O HOH A 180 1.326 -3.634 -5.616 1.00 28.56 O HETATM 1108 O HOH A 181 15.390 6.962 13.850 1.00 22.58 O HETATM 1109 O HOH A 182 -4.144 -11.337 14.958 1.00 50.11 O HETATM 1110 O HOH A 183 -15.284 2.813 11.560 1.00 36.52 O MASTER 285 0 0 2 11 0 0 6 1109 1 0 11 END