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Diffstat (limited to 'plip/test/pdb/1hpx.pdb')
| -rw-r--r-- | plip/test/pdb/1hpx.pdb | 2039 |
1 files changed, 0 insertions, 2039 deletions
diff --git a/plip/test/pdb/1hpx.pdb b/plip/test/pdb/1hpx.pdb deleted file mode 100644 index 499bfe0..0000000 --- a/plip/test/pdb/1hpx.pdb +++ /dev/null @@ -1,2039 +0,0 @@ -HEADER HYDROLASE/HYDROLASE INHIBITOR 18-MAY-95 1HPX -TITLE HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: HIV-1 PROTEASE; -COMPND 3 CHAIN: A, B; -COMPND 4 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; -SOURCE 3 ORGANISM_TAXID: 11676; -SOURCE 4 STRAIN: HIVLAI; -SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 -KEYWDS ACID PROTEASE, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX -EXPDTA X-RAY DIFFRACTION -AUTHOR T.N.BHAT,J.W.ERICKSON -REVDAT 4 13-JUL-11 1HPX 1 VERSN -REVDAT 3 24-FEB-09 1HPX 1 VERSN -REVDAT 2 01-APR-03 1HPX 1 JRNL -REVDAT 1 08-MAR-96 1HPX 0 -JRNL AUTH E.T.BALDWIN,T.N.BHAT,S.GULNIK,B.LIU,I.A.TOPOL,Y.KISO, -JRNL AUTH 2 T.MIMOTO,H.MITSUYA,J.W.ERICKSON -JRNL TITL STRUCTURE OF HIV-1 PROTEASE WITH KNI-272, A TIGHT-BINDING -JRNL TITL 2 TRANSITION-STATE ANALOG CONTAINING ALLOPHENYLNORSTATINE. -JRNL REF STRUCTURE V. 3 581 1995 -JRNL REFN ISSN 0969-2126 -JRNL PMID 8590019 -JRNL DOI 10.1016/S0969-2126(01)00192-7 -REMARK 1 -REMARK 1 REFERENCE 1 -REMARK 1 AUTH T.N.BHAT,E.T.BALDWIN,B.LIU,Y.-S.E.CHENG,J.W.ERICKSON -REMARK 1 TITL CRYSTAL STRUCTURE OF A TETHERED DIMER OF HIV-1 PROTEINASE -REMARK 1 TITL 2 COMPLEXED WITH AN INHIBITOR -REMARK 1 REF NAT.STRUCT.BIOL. V. 1 552 1994 -REMARK 1 REFN ISSN 1072-8368 -REMARK 1 REFERENCE 2 -REMARK 1 AUTH A.WLODAWER,J.W.ERICKSON -REMARK 1 TITL STRUCTURE-BASED INHIBITORS OF HIV-1 PROTEASE -REMARK 1 REF ANNU.REV.BIOCHEM. V. 62 543 1993 -REMARK 1 REFN ISSN 0066-4154 -REMARK 2 -REMARK 2 RESOLUTION. 2.00 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) : 2.00 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL -REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 86.0 -REMARK 3 NUMBER OF REFLECTIONS : 9665 -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) : 0.170 -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 : 1516 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 46 -REMARK 3 SOLVENT ATOMS : 6 -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) : 0.01 -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) : 0.014 -REMARK 3 BOND ANGLES (DEGREES) : 3.00 -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 1HPX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -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) : N -REMARK 200 RADIATION SOURCE : NULL -REMARK 200 BEAMLINE : NULL -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : NULL -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : IMAGE PLATE -REMARK 200 DETECTOR MANUFACTURER : RIGAKU -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MSI -REMARK 200 DATA SCALING SOFTWARE : NULL -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9665 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 -REMARK 200 RESOLUTION RANGE LOW (A) : NULL -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 86.0 -REMARK 200 DATA REDUNDANCY : 3.600 -REMARK 200 R MERGE (I) : 0.06500 -REMARK 200 R SYM (I) : NULL -REMARK 200 <I/SIGMA(I)> 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 <I/SIGMA(I)> 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 (%): 44.34 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.21 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: NULL -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -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 25.95000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 31.15000 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.55000 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 31.15000 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.95000 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.55000 -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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 TOTAL BURIED SURFACE AREA: 4970 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 9180 ANGSTROM**2 -REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -28.0 KCAL/MOL -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B -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 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 ARG A 57 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES -REMARK 500 TYR B 59 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 630 -REMARK 630 MOLECULE TYPE: NULL -REMARK 630 MOLECULE NAME: (4R)-N-TERT-BUTYL-3-[(2S,3S)-2-HYDROXY-3-({N- -REMARK 630 [(ISOQUINOLIN-5-YLOXY)ACETYL]-S-METHYL-L-CYSTEINYL}AMINO)-4- -REMARK 630 PHENYLBUTANOYL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE -REMARK 630 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 630 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 630 -REMARK 630 M RES C SSSEQI -REMARK 630 KNI B 900 -REMARK 630 SOURCE: NULL -REMARK 630 TAXONOMY: NULL -REMARK 630 SUBCOMP: TUC SMC 005 PRS NTB -REMARK 630 DETAILS: NULL -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE KNI B 900 -DBREF 1HPX A 1 99 UNP P03367 POL_HV1BR 69 167 -DBREF 1HPX B 1 99 UNP P03367 POL_HV1BR 69 167 -SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE -SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR -SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET SER LEU PRO -SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY -SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU -SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY -SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR -SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE -SEQRES 1 B 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE -SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR -SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET SER LEU PRO -SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY -SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU -SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY -SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR -SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE -HET KNI B 900 87 -HETNAM KNI (4R)-N-TERT-BUTYL-3-[(2S,3S)-2-HYDROXY-3-({N- -HETNAM 2 KNI [(ISOQUINOLIN-5-YLOXY)ACETYL]-S-METHYL-L- -HETNAM 3 KNI CYSTEINYL}AMINO)-4-PHENYLBUTANOYL]-1,3-THIAZOLIDINE-4- -HETNAM 4 KNI CARBOXAMIDE -HETSYN KNI KNI-272, (N-TERT-BUTYL-THIOPROLINE)-(5- -HETSYN 2 KNI ISOQUINOLYLOXYACETYL-METHYLTHIOALANINE)- -HETSYN 3 KNI ALLOPHENYLNORSTATINE -FORMUL 3 KNI C33 H41 N5 O6 S2 -FORMUL 4 HOH *6(H2 O) -HELIX 1 1 ARG A 87 ILE A 93 1 7 -HELIX 2 2 ARG B 87 LEU B 90 1 4 -SHEET 1 A 2 LEU A 10 ILE A 15 0 -SHEET 2 A 2 GLN A 18 LEU A 23 -1 N ALA A 22 O VAL A 11 -SHEET 1 B 4 THR A 31 GLU A 34 0 -SHEET 2 B 4 VAL A 75 GLY A 78 1 N LEU A 76 O THR A 31 -SHEET 3 B 4 GLY A 52 TYR A 59 -1 N TYR A 59 O VAL A 75 -SHEET 4 B 4 TRP A 42 GLY A 49 -1 N GLY A 49 O GLY A 52 -SHEET 1 C 2 ILE A 62 ILE A 66 0 -SHEET 2 C 2 HIS A 69 GLY A 73 -1 N GLY A 73 O ILE A 62 -SHEET 1 D 2 THR A 96 ASN A 98 0 -SHEET 2 D 2 THR B 96 ASN B 98 -1 N ASN B 98 O THR A 96 -SHEET 1 E 4 GLN B 18 LEU B 23 0 -SHEET 2 E 4 LEU B 10 ILE B 15 -1 N ILE B 15 O GLN B 18 -SHEET 3 E 4 ILE B 62 ILE B 66 -1 N GLU B 65 O LYS B 14 -SHEET 4 E 4 HIS B 69 GLY B 73 -1 N GLY B 73 O ILE B 62 -SHEET 1 F 3 TRP B 42 GLY B 49 0 -SHEET 2 F 3 GLY B 52 TYR B 59 -1 N GLN B 58 O LYS B 43 -SHEET 3 F 3 VAL B 75 GLY B 78 -1 N VAL B 77 O ARG B 57 -SITE 1 AC1 17 ASP A 25 GLY A 27 ALA A 28 PRO A 81 -SITE 2 AC1 17 VAL A 82 ILE A 84 ASP B 25 GLY B 27 -SITE 3 AC1 17 ALA B 28 ASP B 29 ASP B 30 GLY B 48 -SITE 4 AC1 17 GLY B 49 ILE B 50 HOH B 301 HOH B 566 -SITE 5 AC1 17 HOH B 608 -CRYST1 51.900 59.100 62.300 90.00 90.00 90.00 P 21 21 21 8 -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 0.019268 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.016920 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.016051 0.00000 -ATOM 1 N PRO A 1 12.435 14.677 30.369 1.00 35.93 N -ATOM 2 CA PRO A 1 11.739 15.379 29.269 1.00 34.94 C -ATOM 3 C PRO A 1 10.309 14.853 29.143 1.00 32.24 C -ATOM 4 O PRO A 1 10.035 13.743 29.578 1.00 32.11 O -ATOM 5 CB PRO A 1 12.566 15.121 27.988 1.00 34.34 C -ATOM 6 CG PRO A 1 13.973 14.970 28.518 1.00 35.36 C -ATOM 7 CD PRO A 1 13.768 14.261 29.859 1.00 35.14 C -ATOM 8 N GLN A 2 9.436 15.666 28.552 1.00 29.85 N -ATOM 9 CA GLN A 2 8.117 15.184 28.193 1.00 29.27 C -ATOM 10 C GLN A 2 7.939 15.392 26.711 1.00 28.61 C -ATOM 11 O GLN A 2 8.147 16.506 26.246 1.00 31.02 O -ATOM 12 CB GLN A 2 7.108 15.981 28.932 1.00 28.24 C -ATOM 13 CG GLN A 2 5.789 15.599 28.365 1.00 32.41 C -ATOM 14 CD GLN A 2 4.735 16.247 29.153 1.00 37.59 C -ATOM 15 OE1 GLN A 2 4.403 15.796 30.243 1.00 39.05 O -ATOM 16 NE2 GLN A 2 4.210 17.303 28.540 1.00 39.28 N -ATOM 17 N ILE A 3 7.580 14.308 26.023 1.00 26.30 N -ATOM 18 CA ILE A 3 7.429 14.274 24.570 1.00 22.89 C -ATOM 19 C ILE A 3 5.986 14.065 24.231 1.00 20.86 C -ATOM 20 O ILE A 3 5.357 13.119 24.695 1.00 18.64 O -ATOM 21 CB ILE A 3 8.237 13.111 24.051 1.00 25.89 C -ATOM 22 CG1 ILE A 3 9.686 13.314 24.438 1.00 26.82 C -ATOM 23 CG2 ILE A 3 8.122 12.951 22.538 1.00 23.54 C -ATOM 24 CD1 ILE A 3 10.462 12.001 24.416 1.00 28.78 C -ATOM 25 N THR A 4 5.479 15.019 23.456 1.00 21.41 N -ATOM 26 CA THR A 4 4.094 14.960 22.975 1.00 22.67 C -ATOM 27 C THR A 4 4.045 14.108 21.710 1.00 22.05 C -ATOM 28 O THR A 4 5.079 13.786 21.132 1.00 19.64 O -ATOM 29 CB THR A 4 3.592 16.400 22.693 1.00 23.00 C -ATOM 30 OG1 THR A 4 4.585 17.139 21.957 1.00 22.97 O -ATOM 31 CG2 THR A 4 3.330 17.105 24.009 1.00 21.95 C -ATOM 32 N LEU A 5 2.840 13.756 21.299 1.00 21.83 N -ATOM 33 CA LEU A 5 2.793 12.797 20.199 1.00 19.00 C -ATOM 34 C LEU A 5 2.206 13.382 18.934 1.00 16.66 C -ATOM 35 O LEU A 5 1.732 12.663 18.070 1.00 16.54 O -ATOM 36 CB LEU A 5 2.076 11.509 20.698 1.00 16.88 C -ATOM 37 CG LEU A 5 2.758 10.782 21.871 1.00 18.64 C -ATOM 38 CD1 LEU A 5 1.848 9.689 22.386 1.00 18.57 C -ATOM 39 CD2 LEU A 5 4.134 10.239 21.481 1.00 16.22 C -ATOM 40 N TRP A 6 2.249 14.716 18.826 1.00 15.50 N -ATOM 41 CA TRP A 6 1.779 15.352 17.574 1.00 16.71 C -ATOM 42 C TRP A 6 2.575 14.915 16.366 1.00 15.48 C -ATOM 43 O TRP A 6 2.071 14.719 15.275 1.00 17.85 O -ATOM 44 CB TRP A 6 1.939 16.866 17.636 1.00 14.43 C -ATOM 45 CG TRP A 6 1.096 17.526 18.700 1.00 15.60 C -ATOM 46 CD1 TRP A 6 1.622 18.208 19.805 1.00 16.21 C -ATOM 47 CD2 TRP A 6 -0.310 17.671 18.779 1.00 17.03 C -ATOM 48 NE1 TRP A 6 0.647 18.772 20.562 1.00 18.78 N -ATOM 49 CE2 TRP A 6 -0.565 18.485 19.985 1.00 17.82 C -ATOM 50 CE3 TRP A 6 -1.390 17.261 17.996 1.00 16.67 C -ATOM 51 CZ2 TRP A 6 -1.872 18.819 20.309 1.00 17.68 C -ATOM 52 CZ3 TRP A 6 -2.683 17.623 18.352 1.00 17.65 C -ATOM 53 CH2 TRP A 6 -2.920 18.394 19.490 1.00 19.12 C -ATOM 54 N GLN A 7 3.857 14.806 16.628 1.00 15.20 N -ATOM 55 CA GLN A 7 4.839 14.257 15.706 1.00 21.47 C -ATOM 56 C GLN A 7 5.326 12.887 16.181 1.00 21.18 C -ATOM 57 O GLN A 7 5.035 12.465 17.294 1.00 20.97 O -ATOM 58 CB GLN A 7 6.020 15.226 15.653 1.00 25.32 C -ATOM 59 CG GLN A 7 5.787 16.388 14.679 1.00 32.91 C -ATOM 60 CD GLN A 7 5.278 17.667 15.326 1.00 40.50 C -ATOM 61 OE1 GLN A 7 5.981 18.370 16.049 1.00 45.67 O -ATOM 62 NE2 GLN A 7 4.048 18.018 14.958 1.00 42.70 N -ATOM 63 N ARG A 8 6.077 12.206 15.320 1.00 18.60 N -ATOM 64 CA ARG A 8 6.717 10.944 15.732 1.00 16.74 C -ATOM 65 C ARG A 8 7.777 11.245 16.731 1.00 16.27 C -ATOM 66 O ARG A 8 8.519 12.186 16.499 1.00 18.61 O -ATOM 67 CB ARG A 8 7.424 10.277 14.564 1.00 16.02 C -ATOM 68 CG ARG A 8 6.451 9.838 13.488 1.00 15.93 C -ATOM 69 CD ARG A 8 7.109 9.186 12.284 1.00 16.71 C -ATOM 70 NE ARG A 8 6.081 8.749 11.325 1.00 18.58 N -ATOM 71 CZ ARG A 8 6.273 8.879 10.024 1.00 17.81 C -ATOM 72 NH1 ARG A 8 7.462 9.295 9.592 1.00 20.15 N -ATOM 73 NH2 ARG A 8 5.255 8.609 9.212 1.00 19.41 N -ATOM 74 N PRO A 9 7.837 10.469 17.814 1.00 15.32 N -ATOM 75 CA PRO A 9 8.812 10.734 18.875 1.00 16.93 C -ATOM 76 C PRO A 9 10.188 10.218 18.558 1.00 17.56 C -ATOM 77 O PRO A 9 10.628 9.217 19.097 1.00 17.49 O -ATOM 78 CB PRO A 9 8.150 10.049 20.054 1.00 16.27 C -ATOM 79 CG PRO A 9 7.460 8.852 19.455 1.00 16.97 C -ATOM 80 CD PRO A 9 6.931 9.382 18.164 1.00 15.53 C -ATOM 81 N LEU A 10 10.837 10.934 17.651 1.00 19.35 N -ATOM 82 CA LEU A 10 12.221 10.632 17.279 1.00 23.26 C -ATOM 83 C LEU A 10 13.210 11.428 18.112 1.00 25.05 C -ATOM 84 O LEU A 10 13.036 12.623 18.273 1.00 28.83 O -ATOM 85 CB LEU A 10 12.420 10.932 15.786 1.00 21.72 C -ATOM 86 CG LEU A 10 11.627 10.060 14.820 1.00 22.64 C -ATOM 87 CD1 LEU A 10 11.353 10.875 13.584 1.00 25.38 C -ATOM 88 CD2 LEU A 10 12.362 8.783 14.434 1.00 22.66 C -ATOM 89 N VAL A 11 14.228 10.760 18.654 1.00 26.09 N -ATOM 90 CA VAL A 11 15.266 11.358 19.513 1.00 24.07 C -ATOM 91 C VAL A 11 16.667 11.000 19.000 1.00 26.54 C -ATOM 92 O VAL A 11 16.783 10.237 18.047 1.00 27.86 O -ATOM 93 CB VAL A 11 15.120 10.819 20.947 1.00 22.87 C -ATOM 94 CG1 VAL A 11 13.833 11.323 21.594 1.00 24.20 C -ATOM 95 CG2 VAL A 11 15.274 9.297 20.990 1.00 20.18 C -ATOM 96 N THR A 12 17.723 11.546 19.624 1.00 27.20 N -ATOM 97 CA THR A 12 19.070 11.168 19.179 1.00 27.26 C -ATOM 98 C THR A 12 19.577 10.116 20.098 1.00 24.19 C -ATOM 99 O THR A 12 19.387 10.176 21.304 1.00 26.47 O -ATOM 100 CB THR A 12 20.044 12.391 19.148 1.00 26.99 C -ATOM 101 OG1 THR A 12 19.485 13.447 18.365 1.00 26.97 O -ATOM 102 CG2 THR A 12 21.400 12.044 18.568 1.00 25.07 C -ATOM 103 N ILE A 13 20.192 9.148 19.488 1.00 22.53 N -ATOM 104 CA ILE A 13 20.846 8.115 20.278 1.00 23.55 C -ATOM 105 C ILE A 13 22.319 8.130 19.946 1.00 27.21 C -ATOM 106 O ILE A 13 22.721 8.645 18.908 1.00 27.42 O -ATOM 107 CB ILE A 13 20.195 6.740 19.974 1.00 21.50 C -ATOM 108 CG1 ILE A 13 20.425 6.263 18.549 1.00 18.18 C -ATOM 109 CG2 ILE A 13 18.693 6.810 20.288 1.00 19.69 C -ATOM 110 CD1 ILE A 13 20.010 4.805 18.295 1.00 17.86 C -ATOM 111 N LYS A 14 23.113 7.564 20.825 1.00 30.00 N -ATOM 112 CA LYS A 14 24.494 7.311 20.450 1.00 34.96 C -ATOM 113 C LYS A 14 24.841 5.847 20.615 1.00 36.67 C -ATOM 114 O LYS A 14 24.622 5.253 21.668 1.00 38.38 O -ATOM 115 CB LYS A 14 25.378 8.164 21.307 1.00 38.55 C -ATOM 116 CG LYS A 14 25.547 9.519 20.679 1.00 45.02 C -ATOM 117 CD LYS A 14 25.879 10.604 21.699 1.00 50.57 C -ATOM 118 CE LYS A 14 27.007 10.241 22.673 1.00 55.05 C -ATOM 119 NZ LYS A 14 28.212 9.742 21.976 1.00 57.15 N -ATOM 120 N ILE A 15 25.381 5.275 19.555 1.00 38.57 N -ATOM 121 CA ILE A 15 25.840 3.899 19.597 1.00 41.66 C -ATOM 122 C ILE A 15 27.147 3.862 18.866 1.00 47.91 C -ATOM 123 O ILE A 15 27.278 4.373 17.758 1.00 50.07 O -ATOM 124 CB ILE A 15 24.803 2.950 18.987 1.00 41.53 C -ATOM 125 CG1 ILE A 15 25.347 1.542 18.774 1.00 43.20 C -ATOM 126 CG2 ILE A 15 24.213 3.497 17.689 1.00 41.13 C -ATOM 127 CD1 ILE A 15 24.260 0.574 18.286 1.00 44.25 C -ATOM 128 N GLY A 16 28.151 3.319 19.554 1.00 52.15 N -ATOM 129 CA GLY A 16 29.535 3.407 19.077 1.00 52.89 C -ATOM 130 C GLY A 16 30.012 4.819 18.754 1.00 53.91 C -ATOM 131 O GLY A 16 30.669 5.021 17.745 1.00 57.02 O -ATOM 132 N GLY A 17 29.645 5.800 19.590 1.00 54.22 N -ATOM 133 CA GLY A 17 30.078 7.191 19.344 1.00 55.19 C -ATOM 134 C GLY A 17 29.632 7.871 18.051 1.00 55.62 C -ATOM 135 O GLY A 17 30.226 8.829 17.565 1.00 54.78 O -ATOM 136 N GLN A 18 28.551 7.319 17.516 1.00 56.53 N -ATOM 137 CA GLN A 18 27.848 7.977 16.419 1.00 56.01 C -ATOM 138 C GLN A 18 26.401 8.198 16.843 1.00 51.71 C -ATOM 139 O GLN A 18 25.830 7.431 17.614 1.00 50.68 O -ATOM 140 CB GLN A 18 28.033 7.175 15.094 1.00 58.55 C -ATOM 141 CG GLN A 18 27.172 5.928 14.842 1.00 61.06 C -ATOM 142 CD GLN A 18 27.825 4.948 13.872 1.00 62.39 C -ATOM 143 OE1 GLN A 18 27.895 5.122 12.659 1.00 62.15 O -ATOM 144 NE2 GLN A 18 28.296 3.868 14.481 1.00 63.52 N -ATOM 145 N LEU A 19 25.875 9.310 16.376 1.00 47.00 N -ATOM 146 CA LEU A 19 24.519 9.716 16.711 1.00 44.87 C -ATOM 147 C LEU A 19 23.564 9.267 15.624 1.00 42.34 C -ATOM 148 O LEU A 19 23.906 9.280 14.452 1.00 41.18 O -ATOM 149 CB LEU A 19 24.457 11.240 16.784 1.00 46.37 C -ATOM 150 CG LEU A 19 25.119 12.044 17.885 1.00 46.36 C -ATOM 151 CD1 LEU A 19 26.630 11.964 17.832 1.00 48.16 C -ATOM 152 CD2 LEU A 19 24.682 13.477 17.719 1.00 46.92 C -ATOM 153 N LYS A 20 22.366 8.886 16.025 1.00 38.95 N -ATOM 154 CA LYS A 20 21.348 8.493 15.052 1.00 33.51 C -ATOM 155 C LYS A 20 20.044 9.035 15.538 1.00 29.42 C -ATOM 156 O LYS A 20 19.916 9.385 16.705 1.00 27.39 O -ATOM 157 CB LYS A 20 21.291 6.970 14.983 1.00 34.99 C -ATOM 158 CG LYS A 20 22.299 6.343 14.043 1.00 37.20 C -ATOM 159 CD LYS A 20 22.415 4.853 14.257 1.00 43.09 C -ATOM 160 CE LYS A 20 23.053 4.131 13.072 1.00 46.13 C -ATOM 161 NZ LYS A 20 24.300 4.805 12.669 1.00 48.38 N -ATOM 162 N GLU A 21 19.096 9.101 14.627 1.00 27.54 N -ATOM 163 CA GLU A 21 17.750 9.325 15.130 1.00 30.40 C -ATOM 164 C GLU A 21 17.033 8.006 15.220 1.00 26.67 C -ATOM 165 O GLU A 21 17.323 7.093 14.453 1.00 21.41 O -ATOM 166 CB GLU A 21 16.941 10.313 14.290 1.00 37.52 C -ATOM 167 CG GLU A 21 16.660 9.866 12.851 1.00 50.72 C -ATOM 168 CD GLU A 21 15.433 10.547 12.220 1.00 56.25 C -ATOM 169 OE1 GLU A 21 15.304 11.774 12.328 1.00 59.69 O -ATOM 170 OE2 GLU A 21 14.610 9.840 11.612 1.00 59.74 O -ATOM 171 N ALA A 22 16.110 7.946 16.178 1.00 23.74 N -ATOM 172 CA ALA A 22 15.381 6.724 16.515 1.00 19.58 C -ATOM 173 C ALA A 22 14.032 7.054 17.096 1.00 17.77 C -ATOM 174 O ALA A 22 13.826 8.082 17.704 1.00 21.36 O -ATOM 175 CB ALA A 22 16.189 5.916 17.505 1.00 17.37 C -ATOM 176 N LEU A 23 13.105 6.191 16.863 1.00 14.53 N -ATOM 177 CA LEU A 23 11.766 6.421 17.316 1.00 11.55 C -ATOM 178 C LEU A 23 11.602 5.756 18.654 1.00 15.40 C -ATOM 179 O LEU A 23 12.032 4.625 18.871 1.00 14.95 O -ATOM 180 CB LEU A 23 10.934 5.709 16.319 1.00 12.92 C -ATOM 181 CG LEU A 23 9.466 5.827 16.428 1.00 13.83 C -ATOM 182 CD1 LEU A 23 9.008 7.174 15.923 1.00 15.01 C -ATOM 183 CD2 LEU A 23 8.910 4.707 15.604 1.00 19.24 C -ATOM 184 N LEU A 24 10.955 6.449 19.563 1.00 15.47 N -ATOM 185 CA LEU A 24 10.673 5.783 20.821 1.00 15.63 C -ATOM 186 C LEU A 24 9.347 5.097 20.700 1.00 16.26 C -ATOM 187 O LEU A 24 8.336 5.739 20.434 1.00 18.65 O -ATOM 188 CB LEU A 24 10.676 6.844 21.897 1.00 14.60 C -ATOM 189 CG LEU A 24 11.918 7.696 21.999 1.00 12.78 C -ATOM 190 CD1 LEU A 24 11.605 8.785 22.974 1.00 13.25 C -ATOM 191 CD2 LEU A 24 13.130 6.885 22.440 1.00 13.46 C -ATOM 192 N ASP A 25 9.382 3.771 20.846 1.00 14.98 N -ATOM 193 CA ASP A 25 8.236 2.966 20.464 1.00 13.34 C -ATOM 194 C ASP A 25 7.771 2.067 21.582 1.00 12.08 C -ATOM 195 O ASP A 25 8.334 1.014 21.783 1.00 14.88 O -ATOM 196 CB ASP A 25 8.718 2.118 19.266 1.00 13.92 C -ATOM 197 CG ASP A 25 7.626 1.272 18.620 1.00 14.60 C -ATOM 198 OD1 ASP A 25 6.502 1.178 19.126 1.00 16.64 O -ATOM 199 OD2 ASP A 25 7.909 0.688 17.582 1.00 16.76 O -ATOM 200 N THR A 26 6.685 2.413 22.250 1.00 12.07 N -ATOM 201 CA THR A 26 6.166 1.534 23.302 1.00 12.16 C -ATOM 202 C THR A 26 5.475 0.274 22.797 1.00 12.40 C -ATOM 203 O THR A 26 5.032 -0.597 23.535 1.00 12.67 O -ATOM 204 CB THR A 26 5.210 2.361 24.170 1.00 14.47 C -ATOM 205 OG1 THR A 26 4.110 2.856 23.391 1.00 13.91 O -ATOM 206 CG2 THR A 26 5.960 3.519 24.770 1.00 10.85 C -ATOM 207 N GLY A 27 5.371 0.230 21.478 1.00 13.03 N -ATOM 208 CA GLY A 27 4.706 -0.902 20.854 1.00 14.64 C -ATOM 209 C GLY A 27 5.686 -1.988 20.477 1.00 15.09 C -ATOM 210 O GLY A 27 5.289 -3.078 20.117 1.00 18.02 O -ATOM 211 N ALA A 28 6.963 -1.669 20.537 1.00 13.87 N -ATOM 212 CA ALA A 28 7.965 -2.642 20.128 1.00 13.22 C -ATOM 213 C ALA A 28 8.513 -3.263 21.378 1.00 13.35 C -ATOM 214 O ALA A 28 8.892 -2.596 22.339 1.00 14.14 O -ATOM 215 CB ALA A 28 9.099 -1.959 19.350 1.00 10.95 C -ATOM 216 N ASP A 29 8.553 -4.583 21.348 1.00 15.01 N -ATOM 217 CA ASP A 29 9.180 -5.276 22.474 1.00 16.32 C -ATOM 218 C ASP A 29 10.682 -5.257 22.425 1.00 15.10 C -ATOM 219 O ASP A 29 11.331 -5.405 23.455 1.00 15.64 O -ATOM 220 CB ASP A 29 8.757 -6.745 22.550 1.00 22.04 C -ATOM 221 CG ASP A 29 7.263 -7.010 22.667 1.00 28.06 C -ATOM 222 OD1 ASP A 29 6.511 -6.187 23.206 1.00 29.86 O -ATOM 223 OD2 ASP A 29 6.850 -8.086 22.223 1.00 31.91 O -ATOM 224 N ASP A 30 11.208 -5.116 21.214 1.00 15.30 N -ATOM 225 CA ASP A 30 12.641 -5.218 20.932 1.00 18.64 C -ATOM 226 C ASP A 30 13.141 -3.888 20.366 1.00 19.20 C -ATOM 227 O ASP A 30 12.333 -3.068 19.958 1.00 20.12 O -ATOM 228 CB ASP A 30 12.867 -6.289 19.862 1.00 21.07 C -ATOM 229 CG ASP A 30 12.455 -7.668 20.332 1.00 26.93 C -ATOM 230 OD1 ASP A 30 13.080 -8.161 21.277 1.00 30.22 O -ATOM 231 OD2 ASP A 30 11.520 -8.247 19.761 1.00 26.96 O -ATOM 232 N THR A 31 14.454 -3.707 20.328 1.00 18.04 N -ATOM 233 CA THR A 31 15.055 -2.561 19.659 1.00 17.40 C -ATOM 234 C THR A 31 15.613 -3.009 18.322 1.00 16.99 C -ATOM 235 O THR A 31 16.384 -3.952 18.294 1.00 18.85 O -ATOM 236 CB THR A 31 16.131 -2.045 20.630 1.00 15.06 C -ATOM 237 OG1 THR A 31 15.436 -1.504 21.759 1.00 15.42 O -ATOM 238 CG2 THR A 31 17.098 -1.021 20.035 1.00 13.79 C -ATOM 239 N VAL A 32 15.197 -2.365 17.224 1.00 16.97 N -ATOM 240 CA VAL A 32 15.676 -2.749 15.899 1.00 16.73 C -ATOM 241 C VAL A 32 16.377 -1.581 15.268 1.00 15.34 C -ATOM 242 O VAL A 32 15.792 -0.521 15.155 1.00 16.13 O -ATOM 243 CB VAL A 32 14.503 -3.121 15.002 1.00 17.29 C -ATOM 244 CG1 VAL A 32 15.003 -3.795 13.743 1.00 19.20 C -ATOM 245 CG2 VAL A 32 13.552 -4.043 15.727 1.00 19.07 C -ATOM 246 N LEU A 33 17.623 -1.762 14.886 1.00 15.48 N -ATOM 247 CA LEU A 33 18.416 -0.691 14.289 1.00 16.07 C -ATOM 248 C LEU A 33 18.832 -1.052 12.894 1.00 18.42 C -ATOM 249 O LEU A 33 18.952 -2.219 12.544 1.00 16.35 O -ATOM 250 CB LEU A 33 19.682 -0.427 15.049 1.00 17.71 C -ATOM 251 CG LEU A 33 19.655 -0.042 16.509 1.00 17.78 C -ATOM 252 CD1 LEU A 33 21.070 0.321 16.855 1.00 19.24 C -ATOM 253 CD2 LEU A 33 18.732 1.119 16.817 1.00 18.71 C -ATOM 254 N GLU A 34 18.990 0.009 12.113 1.00 18.18 N -ATOM 255 CA GLU A 34 19.332 -0.067 10.693 1.00 20.28 C -ATOM 256 C GLU A 34 20.619 -0.848 10.512 1.00 21.27 C -ATOM 257 O GLU A 34 21.466 -0.904 11.403 1.00 22.31 O -ATOM 258 CB GLU A 34 19.473 1.364 10.154 1.00 22.97 C -ATOM 259 CG GLU A 34 20.678 2.084 10.789 1.00 29.95 C -ATOM 260 CD GLU A 34 20.895 3.506 10.301 1.00 33.51 C -ATOM 261 OE1 GLU A 34 20.095 4.376 10.624 1.00 37.08 O -ATOM 262 OE2 GLU A 34 21.890 3.755 9.621 1.00 36.06 O -ATOM 263 N GLU A 35 20.733 -1.467 9.346 1.00 20.80 N -ATOM 264 CA GLU A 35 21.935 -2.244 9.080 1.00 22.83 C -ATOM 265 C GLU A 35 23.243 -1.495 9.370 1.00 25.01 C -ATOM 266 O GLU A 35 23.481 -0.399 8.879 1.00 26.74 O -ATOM 267 CB GLU A 35 21.819 -2.662 7.634 1.00 24.51 C -ATOM 268 CG GLU A 35 22.928 -3.557 7.119 1.00 25.40 C -ATOM 269 CD GLU A 35 22.994 -4.831 7.937 1.00 27.01 C -ATOM 270 OE1 GLU A 35 21.985 -5.538 8.015 1.00 25.66 O -ATOM 271 OE2 GLU A 35 24.066 -5.107 8.494 1.00 27.84 O -ATOM 272 N MET A 36 24.086 -2.111 10.191 1.00 25.31 N -ATOM 273 CA MET A 36 25.424 -1.575 10.475 1.00 27.20 C -ATOM 274 C MET A 36 26.292 -2.709 10.855 1.00 26.55 C -ATOM 275 O MET A 36 25.790 -3.776 11.194 1.00 26.45 O -ATOM 276 CB MET A 36 25.399 -0.532 11.588 1.00 28.82 C -ATOM 277 CG MET A 36 24.716 -0.925 12.890 1.00 31.84 C -ATOM 278 SD MET A 36 24.185 0.510 13.841 1.00 36.91 S -ATOM 279 CE MET A 36 25.824 1.222 14.065 1.00 33.84 C -ATOM 280 N SER A 37 27.583 -2.510 10.737 1.00 31.06 N -ATOM 281 CA SER A 37 28.436 -3.641 11.113 1.00 36.49 C -ATOM 282 C SER A 37 29.130 -3.401 12.428 1.00 36.73 C -ATOM 283 O SER A 37 30.124 -2.697 12.522 1.00 36.77 O -ATOM 284 CB SER A 37 29.405 -4.025 9.980 1.00 37.54 C -ATOM 285 OG SER A 37 29.752 -2.880 9.188 1.00 41.20 O -ATOM 286 N LEU A 38 28.518 -3.997 13.435 1.00 39.83 N -ATOM 287 CA LEU A 38 29.100 -4.003 14.763 1.00 41.23 C -ATOM 288 C LEU A 38 30.055 -5.169 14.867 1.00 41.90 C -ATOM 289 O LEU A 38 29.828 -6.218 14.255 1.00 41.64 O -ATOM 290 CB LEU A 38 27.975 -4.197 15.753 1.00 42.96 C -ATOM 291 CG LEU A 38 26.965 -3.077 15.847 1.00 44.64 C -ATOM 292 CD1 LEU A 38 25.781 -3.523 16.686 1.00 44.62 C -ATOM 293 CD2 LEU A 38 27.611 -1.817 16.431 1.00 46.21 C -ATOM 294 N PRO A 39 31.104 -4.939 15.665 1.00 41.14 N -ATOM 295 CA PRO A 39 31.885 -6.070 16.115 1.00 40.68 C -ATOM 296 C PRO A 39 31.126 -6.703 17.231 1.00 40.56 C -ATOM 297 O PRO A 39 30.241 -6.137 17.877 1.00 41.49 O -ATOM 298 CB PRO A 39 33.155 -5.407 16.596 1.00 40.31 C -ATOM 299 CG PRO A 39 32.704 -4.075 17.156 1.00 40.10 C -ATOM 300 CD PRO A 39 31.562 -3.675 16.251 1.00 40.80 C -ATOM 301 N GLY A 40 31.500 -7.929 17.409 1.00 40.91 N -ATOM 302 CA GLY A 40 30.671 -8.647 18.334 1.00 44.90 C -ATOM 303 C GLY A 40 29.978 -9.749 17.614 1.00 48.51 C -ATOM 304 O GLY A 40 30.151 -10.006 16.427 1.00 47.13 O -ATOM 305 N ARG A 41 29.260 -10.445 18.463 1.00 51.21 N -ATOM 306 CA ARG A 41 28.818 -11.792 18.161 1.00 52.61 C -ATOM 307 C ARG A 41 27.343 -11.672 17.935 1.00 48.42 C -ATOM 308 O ARG A 41 26.723 -10.816 18.560 1.00 49.13 O -ATOM 309 CB ARG A 41 29.079 -12.658 19.401 1.00 60.41 C -ATOM 310 CG ARG A 41 30.482 -12.565 20.032 1.00 69.64 C -ATOM 311 CD ARG A 41 30.773 -11.423 21.036 1.00 75.84 C -ATOM 312 NE ARG A 41 32.223 -11.336 21.271 1.00 81.73 N -ATOM 313 CZ ARG A 41 32.824 -10.343 21.949 1.00 84.38 C -ATOM 314 NH1 ARG A 41 32.124 -9.409 22.622 1.00 85.89 N -ATOM 315 NH2 ARG A 41 34.165 -10.288 21.917 1.00 85.80 N -ATOM 316 N TRP A 42 26.799 -12.500 17.055 1.00 41.10 N -ATOM 317 CA TRP A 42 25.367 -12.370 16.841 1.00 36.47 C -ATOM 318 C TRP A 42 24.684 -13.673 16.643 1.00 33.05 C -ATOM 319 O TRP A 42 25.333 -14.650 16.334 1.00 32.83 O -ATOM 320 CB TRP A 42 25.080 -11.379 15.708 1.00 34.73 C -ATOM 321 CG TRP A 42 25.740 -11.767 14.404 1.00 34.55 C -ATOM 322 CD1 TRP A 42 26.982 -11.305 13.930 1.00 35.22 C -ATOM 323 CD2 TRP A 42 25.220 -12.588 13.396 1.00 34.36 C -ATOM 324 NE1 TRP A 42 27.265 -11.780 12.688 1.00 36.59 N -ATOM 325 CE2 TRP A 42 26.209 -12.570 12.307 1.00 34.27 C -ATOM 326 CE3 TRP A 42 24.033 -13.291 13.248 1.00 34.50 C -ATOM 327 CZ2 TRP A 42 25.914 -13.258 11.146 1.00 33.88 C -ATOM 328 CZ3 TRP A 42 23.771 -13.967 12.067 1.00 34.88 C -ATOM 329 CH2 TRP A 42 24.703 -13.944 11.033 1.00 35.01 C -ATOM 330 N LYS A 43 23.378 -13.658 16.817 1.00 31.42 N -ATOM 331 CA LYS A 43 22.582 -14.825 16.455 1.00 34.11 C -ATOM 332 C LYS A 43 21.564 -14.414 15.434 1.00 32.28 C -ATOM 333 O LYS A 43 21.180 -13.261 15.420 1.00 33.60 O -ATOM 334 CB LYS A 43 21.790 -15.272 17.649 1.00 37.75 C -ATOM 335 CG LYS A 43 22.639 -15.673 18.812 1.00 43.78 C -ATOM 336 CD LYS A 43 21.913 -15.237 20.072 1.00 49.49 C -ATOM 337 CE LYS A 43 22.699 -15.428 21.365 1.00 52.76 C -ATOM 338 NZ LYS A 43 22.058 -14.617 22.416 1.00 57.13 N -ATOM 339 N PRO A 44 21.143 -15.345 14.601 1.00 31.07 N -ATOM 340 CA PRO A 44 20.060 -15.060 13.660 1.00 29.40 C -ATOM 341 C PRO A 44 18.753 -14.983 14.390 1.00 28.73 C -ATOM 342 O PRO A 44 18.535 -15.766 15.306 1.00 31.47 O -ATOM 343 CB PRO A 44 20.037 -16.322 12.815 1.00 30.44 C -ATOM 344 CG PRO A 44 21.348 -17.054 13.058 1.00 31.27 C -ATOM 345 CD PRO A 44 21.680 -16.693 14.471 1.00 30.32 C -ATOM 346 N LYS A 45 17.886 -14.098 13.943 1.00 25.94 N -ATOM 347 CA LYS A 45 16.567 -14.061 14.545 1.00 23.96 C -ATOM 348 C LYS A 45 15.584 -13.577 13.486 1.00 23.67 C -ATOM 349 O LYS A 45 15.987 -12.931 12.516 1.00 20.63 O -ATOM 350 CB LYS A 45 16.645 -13.105 15.737 1.00 23.79 C -ATOM 351 CG LYS A 45 15.475 -13.291 16.674 1.00 27.47 C -ATOM 352 CD LYS A 45 15.371 -12.247 17.766 1.00 30.96 C -ATOM 353 CE LYS A 45 14.211 -12.513 18.728 1.00 33.22 C -ATOM 354 NZ LYS A 45 14.025 -11.336 19.595 1.00 34.71 N -ATOM 355 N MET A 46 14.287 -13.896 13.676 1.00 22.71 N -ATOM 356 CA MET A 46 13.223 -13.324 12.837 1.00 24.29 C -ATOM 357 C MET A 46 12.164 -12.619 13.685 1.00 22.14 C -ATOM 358 O MET A 46 11.728 -13.182 14.681 1.00 23.00 O -ATOM 359 CB MET A 46 12.617 -14.410 11.925 1.00 23.64 C -ATOM 360 CG MET A 46 13.564 -14.572 10.739 1.00 24.61 C -ATOM 361 SD MET A 46 13.085 -15.736 9.500 1.00 30.70 S -ATOM 362 CE MET A 46 11.636 -14.831 8.925 1.00 28.13 C -ATOM 363 N ILE A 47 11.804 -11.367 13.288 1.00 21.17 N -ATOM 364 CA ILE A 47 10.825 -10.521 14.025 1.00 18.69 C -ATOM 365 C ILE A 47 9.708 -10.117 13.125 1.00 16.55 C -ATOM 366 O ILE A 47 9.903 -9.974 11.929 1.00 17.18 O -ATOM 367 CB ILE A 47 11.429 -9.206 14.542 1.00 19.28 C -ATOM 368 CG1 ILE A 47 12.377 -8.560 13.571 1.00 20.06 C -ATOM 369 CG2 ILE A 47 12.105 -9.445 15.848 1.00 22.09 C -ATOM 370 CD1 ILE A 47 12.646 -7.145 14.027 1.00 23.66 C -ATOM 371 N GLY A 48 8.551 -9.962 13.718 1.00 16.16 N -ATOM 372 CA GLY A 48 7.355 -9.810 12.927 1.00 15.85 C -ATOM 373 C GLY A 48 6.656 -8.564 13.343 1.00 20.38 C -ATOM 374 O GLY A 48 6.460 -8.283 14.512 1.00 25.49 O -ATOM 375 N GLY A 49 6.304 -7.823 12.349 1.00 18.72 N -ATOM 376 CA GLY A 49 5.489 -6.653 12.599 1.00 24.04 C -ATOM 377 C GLY A 49 4.363 -6.674 11.633 1.00 22.32 C -ATOM 378 O GLY A 49 3.927 -7.734 11.221 1.00 23.94 O -ATOM 379 N ILE A 50 3.902 -5.490 11.268 1.00 22.65 N -ATOM 380 CA ILE A 50 2.597 -5.365 10.634 1.00 24.70 C -ATOM 381 C ILE A 50 2.474 -6.165 9.361 1.00 27.15 C -ATOM 382 O ILE A 50 1.472 -6.819 9.116 1.00 29.63 O -ATOM 383 CB ILE A 50 2.234 -3.857 10.451 1.00 25.65 C -ATOM 384 CG1 ILE A 50 0.775 -3.519 10.485 1.00 26.43 C -ATOM 385 CG2 ILE A 50 2.750 -3.204 9.198 1.00 26.20 C -ATOM 386 CD1 ILE A 50 0.286 -3.363 11.923 1.00 27.83 C -ATOM 387 N GLY A 51 3.530 -6.117 8.568 1.00 26.74 N -ATOM 388 CA GLY A 51 3.390 -6.738 7.262 1.00 25.88 C -ATOM 389 C GLY A 51 4.029 -8.103 7.211 1.00 26.28 C -ATOM 390 O GLY A 51 4.130 -8.659 6.135 1.00 30.18 O -ATOM 391 N GLY A 52 4.475 -8.637 8.348 1.00 24.44 N -ATOM 392 CA GLY A 52 5.214 -9.900 8.294 1.00 19.76 C -ATOM 393 C GLY A 52 6.568 -9.805 8.973 1.00 21.17 C -ATOM 394 O GLY A 52 6.801 -8.994 9.863 1.00 18.88 O -ATOM 395 N PHE A 53 7.445 -10.705 8.551 1.00 20.39 N -ATOM 396 CA PHE A 53 8.674 -10.990 9.297 1.00 18.07 C -ATOM 397 C PHE A 53 9.856 -10.557 8.477 1.00 20.41 C -ATOM 398 O PHE A 53 9.767 -10.586 7.258 1.00 22.78 O -ATOM 399 CB PHE A 53 8.770 -12.511 9.578 1.00 16.00 C -ATOM 400 CG PHE A 53 7.906 -12.961 10.731 1.00 11.97 C -ATOM 401 CD1 PHE A 53 6.547 -13.157 10.561 1.00 11.39 C -ATOM 402 CD2 PHE A 53 8.492 -13.110 11.982 1.00 13.27 C -ATOM 403 CE1 PHE A 53 5.782 -13.472 11.666 1.00 12.88 C -ATOM 404 CE2 PHE A 53 7.731 -13.435 13.100 1.00 13.12 C -ATOM 405 CZ PHE A 53 6.366 -13.609 12.922 1.00 13.99 C -ATOM 406 N ILE A 54 10.939 -10.152 9.150 1.00 20.24 N -ATOM 407 CA ILE A 54 12.225 -9.864 8.503 1.00 19.06 C -ATOM 408 C ILE A 54 13.328 -10.554 9.274 1.00 17.85 C -ATOM 409 O ILE A 54 13.168 -10.827 10.458 1.00 15.27 O -ATOM 410 CB ILE A 54 12.558 -8.363 8.560 1.00 20.24 C -ATOM 411 CG1 ILE A 54 12.479 -7.760 9.957 1.00 19.12 C -ATOM 412 CG2 ILE A 54 11.715 -7.556 7.590 1.00 20.91 C -ATOM 413 CD1 ILE A 54 13.286 -6.462 10.019 1.00 20.85 C -ATOM 414 N LYS A 55 14.437 -10.799 8.594 1.00 19.77 N -ATOM 415 CA LYS A 55 15.593 -11.374 9.274 1.00 21.99 C -ATOM 416 C LYS A 55 16.491 -10.322 9.850 1.00 21.36 C -ATOM 417 O LYS A 55 16.743 -9.315 9.200 1.00 19.94 O -ATOM 418 CB LYS A 55 16.405 -12.197 8.285 1.00 28.10 C -ATOM 419 CG LYS A 55 15.547 -13.300 7.697 1.00 33.69 C -ATOM 420 CD LYS A 55 16.191 -14.174 6.625 1.00 38.63 C -ATOM 421 CE LYS A 55 15.076 -15.060 6.034 1.00 42.58 C -ATOM 422 NZ LYS A 55 15.473 -15.713 4.773 1.00 44.60 N -ATOM 423 N VAL A 56 16.948 -10.574 11.073 1.00 20.12 N -ATOM 424 CA VAL A 56 17.797 -9.643 11.811 1.00 16.77 C -ATOM 425 C VAL A 56 18.914 -10.412 12.497 1.00 19.21 C -ATOM 426 O VAL A 56 18.822 -11.610 12.741 1.00 22.76 O -ATOM 427 CB VAL A 56 16.940 -8.836 12.845 1.00 17.75 C -ATOM 428 CG1 VAL A 56 15.856 -7.997 12.152 1.00 16.96 C -ATOM 429 CG2 VAL A 56 16.224 -9.697 13.890 1.00 15.44 C -ATOM 430 N ARG A 57 19.990 -9.696 12.805 1.00 20.22 N -ATOM 431 CA ARG A 57 21.073 -10.242 13.632 1.00 18.82 C -ATOM 432 C ARG A 57 20.924 -9.673 15.009 1.00 17.94 C -ATOM 433 O ARG A 57 20.647 -8.501 15.171 1.00 15.62 O -ATOM 434 CB ARG A 57 22.434 -9.850 13.078 1.00 17.82 C -ATOM 435 CG ARG A 57 22.513 -10.200 11.609 1.00 19.29 C -ATOM 436 CD ARG A 57 23.889 -10.082 10.992 1.00 23.86 C -ATOM 437 NE ARG A 57 24.595 -8.821 11.249 1.00 30.84 N -ATOM 438 CZ ARG A 57 24.284 -7.654 10.653 1.00 31.88 C -ATOM 439 NH1 ARG A 57 23.190 -7.566 9.889 1.00 32.82 N -ATOM 440 NH2 ARG A 57 25.113 -6.620 10.888 1.00 32.88 N -ATOM 441 N GLN A 58 21.053 -10.537 15.989 1.00 19.79 N -ATOM 442 CA GLN A 58 20.856 -10.144 17.371 1.00 21.78 C -ATOM 443 C GLN A 58 22.170 -10.019 18.069 1.00 21.38 C -ATOM 444 O GLN A 58 22.879 -11.008 18.147 1.00 23.57 O -ATOM 445 CB GLN A 58 20.081 -11.233 18.040 1.00 20.93 C -ATOM 446 CG GLN A 58 19.826 -10.816 19.453 1.00 24.49 C -ATOM 447 CD GLN A 58 19.418 -12.025 20.179 1.00 27.56 C -ATOM 448 OE1 GLN A 58 19.998 -12.358 21.185 1.00 30.95 O -ATOM 449 NE2 GLN A 58 18.434 -12.709 19.656 1.00 29.73 N -ATOM 450 N TYR A 59 22.461 -8.830 18.568 1.00 21.90 N -ATOM 451 CA TYR A 59 23.673 -8.607 19.347 1.00 24.26 C -ATOM 452 C TYR A 59 23.282 -8.389 20.781 1.00 28.05 C -ATOM 453 O TYR A 59 22.299 -7.710 21.046 1.00 30.87 O -ATOM 454 CB TYR A 59 24.298 -7.329 18.863 1.00 25.24 C -ATOM 455 CG TYR A 59 24.881 -7.439 17.464 1.00 26.06 C -ATOM 456 CD1 TYR A 59 24.101 -7.241 16.324 1.00 26.87 C -ATOM 457 CD2 TYR A 59 26.235 -7.705 17.329 1.00 25.42 C -ATOM 458 CE1 TYR A 59 24.663 -7.298 15.051 1.00 27.97 C -ATOM 459 CE2 TYR A 59 26.793 -7.763 16.066 1.00 28.57 C -ATOM 460 CZ TYR A 59 26.027 -7.566 14.918 1.00 29.57 C -ATOM 461 OH TYR A 59 26.633 -7.659 13.668 1.00 34.89 O -ATOM 462 N ASP A 60 24.024 -8.969 21.709 1.00 29.69 N -ATOM 463 CA ASP A 60 23.671 -8.740 23.114 1.00 31.99 C -ATOM 464 C ASP A 60 24.565 -7.717 23.762 1.00 31.72 C -ATOM 465 O ASP A 60 25.688 -7.521 23.339 1.00 32.88 O -ATOM 466 CB ASP A 60 23.785 -10.014 23.936 1.00 35.80 C -ATOM 467 CG ASP A 60 22.792 -11.068 23.477 1.00 40.89 C -ATOM 468 OD1 ASP A 60 21.664 -10.715 23.127 1.00 43.63 O -ATOM 469 OD2 ASP A 60 23.149 -12.252 23.475 1.00 43.99 O -ATOM 470 N GLN A 61 24.039 -7.084 24.806 1.00 30.99 N -ATOM 471 CA GLN A 61 24.764 -6.098 25.619 1.00 32.20 C -ATOM 472 C GLN A 61 25.366 -4.884 24.951 1.00 30.14 C -ATOM 473 O GLN A 61 26.498 -4.513 25.196 1.00 27.73 O -ATOM 474 CB GLN A 61 25.801 -6.793 26.474 1.00 37.60 C -ATOM 475 CG GLN A 61 25.085 -7.673 27.469 1.00 44.20 C -ATOM 476 CD GLN A 61 25.975 -7.817 28.651 1.00 47.50 C -ATOM 477 OE1 GLN A 61 25.887 -7.056 29.603 1.00 48.10 O -ATOM 478 NE2 GLN A 61 26.871 -8.789 28.551 1.00 50.31 N -ATOM 479 N ILE A 62 24.565 -4.243 24.109 1.00 30.63 N -ATOM 480 CA ILE A 62 25.023 -3.030 23.437 1.00 27.04 C -ATOM 481 C ILE A 62 24.599 -1.891 24.334 1.00 27.38 C -ATOM 482 O ILE A 62 23.493 -1.886 24.855 1.00 25.78 O -ATOM 483 CB ILE A 62 24.401 -2.989 22.003 1.00 25.64 C -ATOM 484 CG1 ILE A 62 24.689 -4.274 21.239 1.00 26.09 C -ATOM 485 CG2 ILE A 62 24.857 -1.836 21.117 1.00 23.41 C -ATOM 486 CD1 ILE A 62 26.187 -4.569 21.025 1.00 26.38 C -ATOM 487 N LEU A 63 25.534 -0.972 24.529 1.00 27.98 N -ATOM 488 CA LEU A 63 25.241 0.280 25.227 1.00 28.40 C -ATOM 489 C LEU A 63 24.811 1.278 24.192 1.00 27.42 C -ATOM 490 O LEU A 63 25.496 1.491 23.197 1.00 27.40 O -ATOM 491 CB LEU A 63 26.501 0.777 25.958 1.00 28.92 C -ATOM 492 CG LEU A 63 26.588 2.059 26.853 1.00 30.34 C -ATOM 493 CD1 LEU A 63 26.735 3.362 26.083 1.00 31.66 C -ATOM 494 CD2 LEU A 63 25.416 2.199 27.800 1.00 27.16 C -ATOM 495 N ILE A 64 23.673 1.871 24.451 1.00 26.33 N -ATOM 496 CA ILE A 64 23.219 3.002 23.657 1.00 28.21 C -ATOM 497 C ILE A 64 22.964 4.127 24.640 1.00 28.98 C -ATOM 498 O ILE A 64 22.687 3.858 25.798 1.00 29.35 O -ATOM 499 CB ILE A 64 21.922 2.592 22.918 1.00 28.30 C -ATOM 500 CG1 ILE A 64 22.139 1.436 21.951 1.00 27.40 C -ATOM 501 CG2 ILE A 64 21.294 3.740 22.118 1.00 29.11 C -ATOM 502 CD1 ILE A 64 20.846 1.050 21.198 1.00 25.76 C -ATOM 503 N GLU A 65 23.051 5.371 24.198 1.00 29.21 N -ATOM 504 CA GLU A 65 22.445 6.376 25.059 1.00 31.18 C -ATOM 505 C GLU A 65 21.375 7.201 24.386 1.00 29.28 C -ATOM 506 O GLU A 65 21.538 7.619 23.252 1.00 29.34 O -ATOM 507 CB GLU A 65 23.523 7.181 25.757 1.00 36.41 C -ATOM 508 CG GLU A 65 24.245 8.217 24.943 1.00 43.17 C -ATOM 509 CD GLU A 65 25.425 8.647 25.768 1.00 46.85 C -ATOM 510 OE1 GLU A 65 26.445 7.956 25.698 1.00 49.90 O -ATOM 511 OE2 GLU A 65 25.323 9.656 26.471 1.00 47.49 O -ATOM 512 N ILE A 66 20.262 7.351 25.104 1.00 27.91 N -ATOM 513 CA ILE A 66 19.017 7.975 24.626 1.00 28.52 C -ATOM 514 C ILE A 66 18.775 9.248 25.410 1.00 29.74 C -ATOM 515 O ILE A 66 18.503 9.206 26.611 1.00 26.99 O -ATOM 516 CB ILE A 66 17.843 7.018 24.876 1.00 26.39 C -ATOM 517 CG1 ILE A 66 18.075 5.640 24.319 1.00 26.34 C -ATOM 518 CG2 ILE A 66 16.553 7.539 24.312 1.00 24.54 C -ATOM 519 CD1 ILE A 66 17.179 4.603 25.012 1.00 27.58 C -ATOM 520 N CYS A 67 18.965 10.386 24.714 1.00 32.35 N -ATOM 521 CA CYS A 67 18.874 11.721 25.355 1.00 35.52 C -ATOM 522 C CYS A 67 19.609 11.786 26.685 1.00 36.55 C -ATOM 523 O CYS A 67 19.089 12.129 27.741 1.00 36.33 O -ATOM 524 CB CYS A 67 17.416 12.152 25.494 1.00 36.62 C -ATOM 525 SG CYS A 67 16.796 12.617 23.862 1.00 44.08 S -ATOM 526 N GLY A 68 20.862 11.336 26.579 1.00 36.27 N -ATOM 527 CA GLY A 68 21.820 11.391 27.685 1.00 36.35 C -ATOM 528 C GLY A 68 21.750 10.273 28.708 1.00 36.32 C -ATOM 529 O GLY A 68 22.527 10.263 29.656 1.00 38.84 O -ATOM 530 N HIS A 69 20.797 9.354 28.525 1.00 32.29 N -ATOM 531 CA HIS A 69 20.662 8.268 29.511 1.00 31.66 C -ATOM 532 C HIS A 69 21.153 6.929 28.981 1.00 30.45 C -ATOM 533 O HIS A 69 20.763 6.533 27.889 1.00 29.42 O -ATOM 534 CB HIS A 69 19.208 8.036 29.800 1.00 33.64 C -ATOM 535 CG HIS A 69 18.493 9.135 30.538 1.00 33.63 C -ATOM 536 ND1 HIS A 69 18.220 10.355 30.062 1.00 32.62 N -ATOM 537 CD2 HIS A 69 17.874 8.971 31.773 1.00 32.50 C -ATOM 538 CE1 HIS A 69 17.409 10.961 30.987 1.00 30.16 C -ATOM 539 NE2 HIS A 69 17.200 10.110 32.032 1.00 30.61 N -ATOM 540 N LYS A 70 22.013 6.266 29.743 1.00 28.72 N -ATOM 541 CA LYS A 70 22.595 5.023 29.246 1.00 26.88 C -ATOM 542 C LYS A 70 21.657 3.873 29.432 1.00 24.93 C -ATOM 543 O LYS A 70 20.928 3.824 30.406 1.00 23.98 O -ATOM 544 CB LYS A 70 23.890 4.779 29.984 1.00 28.41 C -ATOM 545 CG LYS A 70 24.853 5.827 29.513 1.00 31.51 C -ATOM 546 CD LYS A 70 26.082 5.936 30.362 1.00 34.78 C -ATOM 547 CE LYS A 70 27.072 6.913 29.747 1.00 37.98 C -ATOM 548 NZ LYS A 70 27.693 6.342 28.532 1.00 41.09 N -ATOM 549 N ALA A 71 21.715 2.965 28.482 1.00 21.27 N -ATOM 550 CA ALA A 71 20.961 1.734 28.571 1.00 22.11 C -ATOM 551 C ALA A 71 21.830 0.653 27.939 1.00 23.78 C -ATOM 552 O ALA A 71 22.642 0.956 27.071 1.00 24.98 O -ATOM 553 CB ALA A 71 19.637 1.936 27.844 1.00 21.76 C -ATOM 554 N ILE A 72 21.719 -0.597 28.403 1.00 23.40 N -ATOM 555 CA ILE A 72 22.547 -1.673 27.842 1.00 22.88 C -ATOM 556 C ILE A 72 21.644 -2.837 27.625 1.00 22.39 C -ATOM 557 O ILE A 72 20.893 -3.190 28.527 1.00 23.02 O -ATOM 558 CB ILE A 72 23.657 -2.144 28.800 1.00 24.40 C -ATOM 559 CG1 ILE A 72 24.721 -1.141 29.054 1.00 26.31 C -ATOM 560 CG2 ILE A 72 24.433 -3.340 28.311 1.00 24.75 C -ATOM 561 CD1 ILE A 72 24.354 -0.315 30.284 1.00 30.62 C -ATOM 562 N GLY A 73 21.721 -3.424 26.439 1.00 20.72 N -ATOM 563 CA GLY A 73 20.891 -4.604 26.203 1.00 20.28 C -ATOM 564 C GLY A 73 20.944 -5.145 24.791 1.00 19.43 C -ATOM 565 O GLY A 73 21.889 -4.928 24.058 1.00 17.82 O -ATOM 566 N THR A 74 19.904 -5.879 24.456 1.00 23.00 N -ATOM 567 CA THR A 74 19.866 -6.586 23.170 1.00 24.83 C -ATOM 568 C THR A 74 19.389 -5.647 22.099 1.00 23.06 C -ATOM 569 O THR A 74 18.359 -5.001 22.264 1.00 24.67 O -ATOM 570 CB THR A 74 18.891 -7.802 23.248 1.00 27.51 C -ATOM 571 OG1 THR A 74 19.385 -8.777 24.192 1.00 30.53 O -ATOM 572 CG2 THR A 74 18.621 -8.476 21.906 1.00 27.83 C -ATOM 573 N VAL A 75 20.154 -5.613 21.018 1.00 21.19 N -ATOM 574 CA VAL A 75 19.806 -4.833 19.832 1.00 22.71 C -ATOM 575 C VAL A 75 19.765 -5.790 18.627 1.00 20.35 C -ATOM 576 O VAL A 75 20.629 -6.651 18.479 1.00 17.24 O -ATOM 577 CB VAL A 75 20.907 -3.745 19.720 1.00 24.54 C -ATOM 578 CG1 VAL A 75 20.955 -3.061 18.390 1.00 24.34 C -ATOM 579 CG2 VAL A 75 20.715 -2.677 20.797 1.00 25.42 C -ATOM 580 N LEU A 76 18.717 -5.619 17.819 1.00 16.28 N -ATOM 581 CA LEU A 76 18.573 -6.358 16.585 1.00 18.43 C -ATOM 582 C LEU A 76 18.933 -5.454 15.415 1.00 19.88 C -ATOM 583 O LEU A 76 18.514 -4.313 15.372 1.00 23.15 O -ATOM 584 CB LEU A 76 17.138 -6.868 16.450 1.00 16.36 C -ATOM 585 CG LEU A 76 16.479 -7.613 17.606 1.00 16.57 C -ATOM 586 CD1 LEU A 76 15.083 -8.023 17.254 1.00 16.27 C -ATOM 587 CD2 LEU A 76 17.248 -8.842 18.011 1.00 16.83 C -ATOM 588 N VAL A 77 19.743 -5.945 14.495 1.00 20.33 N -ATOM 589 CA VAL A 77 20.176 -5.134 13.362 1.00 19.84 C -ATOM 590 C VAL A 77 19.635 -5.772 12.099 1.00 20.78 C -ATOM 591 O VAL A 77 19.889 -6.944 11.850 1.00 21.60 O -ATOM 592 CB VAL A 77 21.722 -5.111 13.398 1.00 19.74 C -ATOM 593 CG1 VAL A 77 22.380 -4.511 12.180 1.00 16.88 C -ATOM 594 CG2 VAL A 77 22.150 -4.267 14.579 1.00 19.89 C -ATOM 595 N GLY A 78 18.920 -5.002 11.303 1.00 19.45 N -ATOM 596 CA GLY A 78 18.417 -5.510 10.032 1.00 19.96 C -ATOM 597 C GLY A 78 17.950 -4.386 9.146 1.00 22.28 C -ATOM 598 O GLY A 78 18.145 -3.222 9.454 1.00 22.18 O -ATOM 599 N PRO A 79 17.326 -4.740 8.024 1.00 24.94 N -ATOM 600 CA PRO A 79 16.858 -3.689 7.106 1.00 26.50 C -ATOM 601 C PRO A 79 15.570 -3.001 7.514 1.00 25.96 C -ATOM 602 O PRO A 79 14.580 -3.090 6.810 1.00 29.70 O -ATOM 603 CB PRO A 79 16.767 -4.472 5.784 1.00 25.12 C -ATOM 604 CG PRO A 79 16.439 -5.892 6.165 1.00 25.28 C -ATOM 605 CD PRO A 79 17.156 -6.098 7.489 1.00 23.94 C -ATOM 606 N THR A 80 15.593 -2.285 8.630 1.00 26.75 N -ATOM 607 CA THR A 80 14.427 -1.461 9.007 1.00 24.27 C -ATOM 608 C THR A 80 14.500 -0.073 8.343 1.00 25.03 C -ATOM 609 O THR A 80 15.583 0.450 8.085 1.00 22.98 O -ATOM 610 CB THR A 80 14.337 -1.395 10.580 1.00 23.77 C -ATOM 611 OG1 THR A 80 13.207 -0.641 11.007 1.00 22.88 O -ATOM 612 CG2 THR A 80 15.586 -0.875 11.256 1.00 23.32 C -ATOM 613 N PRO A 81 13.315 0.496 8.062 1.00 23.99 N -ATOM 614 CA PRO A 81 13.285 1.878 7.567 1.00 24.91 C -ATOM 615 C PRO A 81 13.785 2.909 8.582 1.00 25.35 C -ATOM 616 O PRO A 81 14.418 3.899 8.243 1.00 26.82 O -ATOM 617 CB PRO A 81 11.811 2.100 7.277 1.00 24.66 C -ATOM 618 CG PRO A 81 11.087 0.775 7.334 1.00 23.51 C -ATOM 619 CD PRO A 81 11.977 -0.098 8.181 1.00 25.29 C -ATOM 620 N VAL A 82 13.450 2.650 9.841 1.00 23.63 N -ATOM 621 CA VAL A 82 13.717 3.601 10.916 1.00 21.55 C -ATOM 622 C VAL A 82 14.298 2.833 12.098 1.00 19.44 C -ATOM 623 O VAL A 82 14.024 1.658 12.273 1.00 18.78 O -ATOM 624 CB VAL A 82 12.377 4.399 11.167 1.00 23.03 C -ATOM 625 CG1 VAL A 82 11.191 3.487 11.209 1.00 26.66 C -ATOM 626 CG2 VAL A 82 12.339 5.287 12.406 1.00 22.38 C -ATOM 627 N ASN A 83 15.152 3.497 12.859 1.00 15.94 N -ATOM 628 CA ASN A 83 15.680 2.937 14.110 1.00 16.14 C -ATOM 629 C ASN A 83 14.600 2.949 15.209 1.00 15.34 C -ATOM 630 O ASN A 83 13.924 3.948 15.414 1.00 15.80 O -ATOM 631 CB ASN A 83 16.883 3.760 14.548 1.00 16.06 C -ATOM 632 CG ASN A 83 18.056 3.591 13.611 1.00 18.40 C -ATOM 633 OD1 ASN A 83 18.485 2.507 13.279 1.00 19.54 O -ATOM 634 ND2 ASN A 83 18.601 4.696 13.167 1.00 19.75 N -ATOM 635 N ILE A 84 14.390 1.820 15.875 1.00 15.32 N -ATOM 636 CA ILE A 84 13.261 1.653 16.793 1.00 12.73 C -ATOM 637 C ILE A 84 13.812 1.351 18.172 1.00 15.89 C -ATOM 638 O ILE A 84 14.544 0.388 18.330 1.00 15.95 O -ATOM 639 CB ILE A 84 12.387 0.495 16.281 1.00 12.70 C -ATOM 640 CG1 ILE A 84 11.656 0.839 14.997 1.00 14.93 C -ATOM 641 CG2 ILE A 84 11.323 0.087 17.281 1.00 11.45 C -ATOM 642 CD1 ILE A 84 11.048 -0.380 14.273 1.00 18.21 C -ATOM 643 N ILE A 85 13.481 2.199 19.156 1.00 14.96 N -ATOM 644 CA ILE A 85 13.811 1.875 20.551 1.00 13.65 C -ATOM 645 C ILE A 85 12.588 1.276 21.189 1.00 12.44 C -ATOM 646 O ILE A 85 11.539 1.888 21.247 1.00 12.80 O -ATOM 647 CB ILE A 85 14.255 3.110 21.362 1.00 15.75 C -ATOM 648 CG1 ILE A 85 15.291 3.961 20.660 1.00 14.23 C -ATOM 649 CG2 ILE A 85 14.792 2.691 22.720 1.00 12.10 C -ATOM 650 CD1 ILE A 85 16.606 3.220 20.362 1.00 18.41 C -ATOM 651 N GLY A 86 12.746 0.047 21.593 1.00 14.37 N -ATOM 652 CA GLY A 86 11.606 -0.681 22.118 1.00 14.56 C -ATOM 653 C GLY A 86 11.702 -0.777 23.603 1.00 13.13 C -ATOM 654 O GLY A 86 12.618 -0.225 24.227 1.00 14.48 O -ATOM 655 N ARG A 87 10.720 -1.487 24.168 1.00 13.25 N -ATOM 656 CA ARG A 87 10.553 -1.465 25.644 1.00 13.63 C -ATOM 657 C ARG A 87 11.719 -1.988 26.487 1.00 17.12 C -ATOM 658 O ARG A 87 11.930 -1.552 27.614 1.00 19.45 O -ATOM 659 CB ARG A 87 9.305 -2.193 26.081 1.00 14.41 C -ATOM 660 CG ARG A 87 7.958 -1.669 25.598 1.00 13.50 C -ATOM 661 CD ARG A 87 6.795 -2.396 26.258 1.00 11.39 C -ATOM 662 NE ARG A 87 6.726 -3.803 25.852 1.00 17.14 N -ATOM 663 CZ ARG A 87 7.197 -4.819 26.609 1.00 18.93 C -ATOM 664 NH1 ARG A 87 7.722 -4.582 27.817 1.00 18.91 N -ATOM 665 NH2 ARG A 87 7.163 -6.046 26.115 1.00 18.09 N -ATOM 666 N ASN A 88 12.515 -2.881 25.890 1.00 16.54 N -ATOM 667 CA ASN A 88 13.736 -3.343 26.547 1.00 18.78 C -ATOM 668 C ASN A 88 14.727 -2.261 26.878 1.00 19.43 C -ATOM 669 O ASN A 88 15.437 -2.394 27.851 1.00 21.44 O -ATOM 670 CB ASN A 88 14.466 -4.471 25.783 1.00 16.35 C -ATOM 671 CG ASN A 88 15.202 -3.980 24.546 1.00 16.09 C -ATOM 672 OD1 ASN A 88 14.661 -3.249 23.734 1.00 15.62 O -ATOM 673 ND2 ASN A 88 16.432 -4.415 24.406 1.00 11.95 N -ATOM 674 N LEU A 89 14.764 -1.188 26.100 1.00 18.61 N -ATOM 675 CA LEU A 89 15.648 -0.091 26.487 1.00 17.23 C -ATOM 676 C LEU A 89 14.932 1.084 27.168 1.00 15.48 C -ATOM 677 O LEU A 89 15.439 1.739 28.063 1.00 14.05 O -ATOM 678 CB LEU A 89 16.464 0.288 25.268 1.00 15.51 C -ATOM 679 CG LEU A 89 17.364 -0.793 24.678 1.00 16.93 C -ATOM 680 CD1 LEU A 89 18.274 -0.172 23.644 1.00 15.96 C -ATOM 681 CD2 LEU A 89 18.266 -1.389 25.740 1.00 18.41 C -ATOM 682 N LEU A 90 13.687 1.293 26.769 1.00 19.10 N -ATOM 683 CA LEU A 90 12.880 2.353 27.379 1.00 19.30 C -ATOM 684 C LEU A 90 12.674 2.216 28.876 1.00 22.79 C -ATOM 685 O LEU A 90 12.670 3.226 29.569 1.00 22.21 O -ATOM 686 CB LEU A 90 11.538 2.425 26.697 1.00 17.66 C -ATOM 687 CG LEU A 90 11.585 2.769 25.218 1.00 18.04 C -ATOM 688 CD1 LEU A 90 10.206 2.630 24.593 1.00 17.76 C -ATOM 689 CD2 LEU A 90 12.161 4.162 25.022 1.00 17.74 C -ATOM 690 N THR A 91 12.551 0.961 29.362 1.00 22.11 N -ATOM 691 CA THR A 91 12.523 0.731 30.807 1.00 18.41 C -ATOM 692 C THR A 91 13.770 1.209 31.498 1.00 19.11 C -ATOM 693 O THR A 91 13.683 1.824 32.541 1.00 23.46 O -ATOM 694 CB THR A 91 12.245 -0.734 31.157 1.00 18.59 C -ATOM 695 OG1 THR A 91 13.206 -1.629 30.577 1.00 18.61 O -ATOM 696 CG2 THR A 91 10.868 -1.101 30.682 1.00 18.18 C -ATOM 697 N GLN A 92 14.933 1.004 30.887 1.00 17.97 N -ATOM 698 CA GLN A 92 16.177 1.399 31.546 1.00 18.12 C -ATOM 699 C GLN A 92 16.425 2.880 31.680 1.00 21.68 C -ATOM 700 O GLN A 92 17.207 3.310 32.523 1.00 24.09 O -ATOM 701 CB GLN A 92 17.330 0.788 30.811 1.00 16.73 C -ATOM 702 CG GLN A 92 17.243 -0.742 30.753 1.00 19.37 C -ATOM 703 CD GLN A 92 18.491 -1.271 30.076 1.00 19.31 C -ATOM 704 OE1 GLN A 92 19.595 -0.766 30.187 1.00 20.78 O -ATOM 705 NE2 GLN A 92 18.313 -2.349 29.359 1.00 22.95 N -ATOM 706 N ILE A 93 15.741 3.649 30.813 1.00 24.01 N -ATOM 707 CA ILE A 93 15.810 5.109 30.915 1.00 23.33 C -ATOM 708 C ILE A 93 14.635 5.725 31.670 1.00 26.30 C -ATOM 709 O ILE A 93 14.532 6.923 31.883 1.00 27.13 O -ATOM 710 CB ILE A 93 16.002 5.765 29.524 1.00 23.01 C -ATOM 711 CG1 ILE A 93 14.748 5.865 28.646 1.00 18.32 C -ATOM 712 CG2 ILE A 93 17.181 5.085 28.805 1.00 18.74 C -ATOM 713 CD1 ILE A 93 14.902 6.861 27.496 1.00 16.84 C -ATOM 714 N GLY A 94 13.750 4.849 32.108 1.00 27.39 N -ATOM 715 CA GLY A 94 12.718 5.265 33.053 1.00 27.90 C -ATOM 716 C GLY A 94 11.532 5.895 32.404 1.00 27.64 C -ATOM 717 O GLY A 94 10.883 6.775 32.967 1.00 27.88 O -ATOM 718 N CYS A 95 11.291 5.436 31.183 1.00 25.56 N -ATOM 719 CA CYS A 95 10.249 6.080 30.405 1.00 23.03 C -ATOM 720 C CYS A 95 8.869 5.556 30.750 1.00 23.04 C -ATOM 721 O CYS A 95 8.712 4.349 30.846 1.00 27.12 O -ATOM 722 CB CYS A 95 10.672 5.862 28.966 1.00 24.03 C -ATOM 723 SG CYS A 95 9.541 6.616 27.786 1.00 26.97 S -ATOM 724 N THR A 96 7.897 6.449 30.940 1.00 18.81 N -ATOM 725 CA THR A 96 6.490 6.115 31.150 1.00 18.23 C -ATOM 726 C THR A 96 5.545 6.749 30.124 1.00 18.33 C -ATOM 727 O THR A 96 5.895 7.718 29.460 1.00 18.75 O -ATOM 728 CB THR A 96 6.069 6.567 32.571 1.00 19.13 C -ATOM 729 OG1 THR A 96 6.547 7.879 32.861 1.00 19.39 O -ATOM 730 CG2 THR A 96 6.601 5.606 33.610 1.00 21.01 C -ATOM 731 N LEU A 97 4.340 6.182 30.022 1.00 18.93 N -ATOM 732 CA LEU A 97 3.254 6.830 29.295 1.00 21.65 C -ATOM 733 C LEU A 97 2.325 7.370 30.327 1.00 23.36 C -ATOM 734 O LEU A 97 2.041 6.722 31.327 1.00 22.54 O -ATOM 735 CB LEU A 97 2.427 5.835 28.524 1.00 20.76 C -ATOM 736 CG LEU A 97 3.070 5.187 27.330 1.00 22.48 C -ATOM 737 CD1 LEU A 97 2.322 3.900 27.009 1.00 25.43 C -ATOM 738 CD2 LEU A 97 3.079 6.152 26.156 1.00 21.51 C -ATOM 739 N ASN A 98 1.879 8.575 30.104 1.00 23.45 N -ATOM 740 CA ASN A 98 1.063 9.188 31.144 1.00 24.97 C -ATOM 741 C ASN A 98 -0.087 9.796 30.443 1.00 26.33 C -ATOM 742 O ASN A 98 0.114 10.487 29.450 1.00 26.70 O -ATOM 743 CB ASN A 98 1.825 10.314 31.814 1.00 26.36 C -ATOM 744 CG ASN A 98 3.013 9.807 32.622 1.00 29.99 C -ATOM 745 OD1 ASN A 98 4.030 9.318 32.128 1.00 30.36 O -ATOM 746 ND2 ASN A 98 2.863 9.973 33.925 1.00 32.60 N -ATOM 747 N PHE A 99 -1.277 9.534 30.950 1.00 24.66 N -ATOM 748 CA PHE A 99 -2.431 10.356 30.565 1.00 26.48 C -ATOM 749 C PHE A 99 -3.371 10.417 31.738 1.00 30.01 C -ATOM 750 O PHE A 99 -4.442 11.010 31.666 1.00 31.93 O -ATOM 751 CB PHE A 99 -3.143 9.839 29.303 1.00 22.50 C -ATOM 752 CG PHE A 99 -3.537 8.394 29.387 1.00 21.83 C -ATOM 753 CD1 PHE A 99 -2.572 7.398 29.253 1.00 22.41 C -ATOM 754 CD2 PHE A 99 -4.863 8.068 29.588 1.00 22.07 C -ATOM 755 CE1 PHE A 99 -2.925 6.058 29.312 1.00 22.24 C -ATOM 756 CE2 PHE A 99 -5.218 6.725 29.648 1.00 23.69 C -ATOM 757 CZ PHE A 99 -4.261 5.724 29.513 1.00 23.20 C -ATOM 758 OXT PHE A 99 -3.042 9.803 32.762 1.00 31.18 O -TER 759 PHE A 99 -ATOM 760 N PRO B 1 -3.263 7.758 34.381 1.00 28.35 N -ATOM 761 CA PRO B 1 -2.330 6.719 34.834 1.00 27.10 C -ATOM 762 C PRO B 1 -0.944 7.033 34.342 1.00 27.00 C -ATOM 763 O PRO B 1 -0.773 7.713 33.345 1.00 28.75 O -ATOM 764 CB PRO B 1 -2.859 5.397 34.298 1.00 28.38 C -ATOM 765 CG PRO B 1 -3.866 5.772 33.236 1.00 28.32 C -ATOM 766 CD PRO B 1 -4.402 7.103 33.708 1.00 28.55 C -ATOM 767 N GLN B 2 0.016 6.540 35.090 1.00 26.26 N -ATOM 768 CA GLN B 2 1.378 6.509 34.612 1.00 27.84 C -ATOM 769 C GLN B 2 1.674 5.037 34.457 1.00 28.60 C -ATOM 770 O GLN B 2 1.511 4.296 35.419 1.00 29.97 O -ATOM 771 CB GLN B 2 2.290 7.129 35.649 1.00 29.38 C -ATOM 772 CG GLN B 2 3.747 6.929 35.250 1.00 32.88 C -ATOM 773 CD GLN B 2 4.726 7.712 36.094 1.00 34.39 C -ATOM 774 OE1 GLN B 2 5.008 8.874 35.849 1.00 34.38 O -ATOM 775 NE2 GLN B 2 5.250 7.044 37.112 1.00 35.99 N -ATOM 776 N ILE B 3 2.033 4.641 33.237 1.00 26.60 N -ATOM 777 CA ILE B 3 2.214 3.239 32.841 1.00 22.72 C -ATOM 778 C ILE B 3 3.676 3.029 32.616 1.00 22.32 C -ATOM 779 O ILE B 3 4.316 3.789 31.891 1.00 19.18 O -ATOM 780 CB ILE B 3 1.465 3.003 31.535 1.00 25.47 C -ATOM 781 CG1 ILE B 3 -0.002 3.323 31.639 1.00 25.97 C -ATOM 782 CG2 ILE B 3 1.634 1.584 31.028 1.00 27.05 C -ATOM 783 CD1 ILE B 3 -0.683 3.207 30.279 1.00 30.84 C -ATOM 784 N THR B 4 4.183 2.019 33.305 1.00 19.23 N -ATOM 785 CA THR B 4 5.588 1.692 33.091 1.00 17.51 C -ATOM 786 C THR B 4 5.640 0.705 31.943 1.00 15.65 C -ATOM 787 O THR B 4 4.628 0.199 31.488 1.00 15.37 O -ATOM 788 CB THR B 4 6.181 1.087 34.387 1.00 18.77 C -ATOM 789 OG1 THR B 4 5.366 0.003 34.851 1.00 20.54 O -ATOM 790 CG2 THR B 4 6.314 2.114 35.506 1.00 18.97 C -ATOM 791 N LEU B 5 6.819 0.435 31.470 1.00 15.37 N -ATOM 792 CA LEU B 5 6.881 -0.384 30.284 1.00 17.33 C -ATOM 793 C LEU B 5 7.543 -1.725 30.543 1.00 19.63 C -ATOM 794 O LEU B 5 8.089 -2.353 29.653 1.00 21.56 O -ATOM 795 CB LEU B 5 7.585 0.472 29.244 1.00 16.76 C -ATOM 796 CG LEU B 5 6.821 1.717 28.858 1.00 15.30 C -ATOM 797 CD1 LEU B 5 7.718 2.645 28.061 1.00 13.97 C -ATOM 798 CD2 LEU B 5 5.550 1.344 28.115 1.00 17.24 C -ATOM 799 N TRP B 6 7.484 -2.166 31.801 1.00 21.36 N -ATOM 800 CA TRP B 6 8.038 -3.493 32.057 1.00 23.82 C -ATOM 801 C TRP B 6 7.201 -4.558 31.392 1.00 23.83 C -ATOM 802 O TRP B 6 7.702 -5.581 30.971 1.00 25.16 O -ATOM 803 CB TRP B 6 8.185 -3.792 33.545 1.00 25.78 C -ATOM 804 CG TRP B 6 8.971 -2.705 34.240 1.00 27.28 C -ATOM 805 CD1 TRP B 6 8.453 -1.588 34.926 1.00 29.47 C -ATOM 806 CD2 TRP B 6 10.355 -2.553 34.276 1.00 28.10 C -ATOM 807 NE1 TRP B 6 9.419 -0.739 35.378 1.00 31.02 N -ATOM 808 CE2 TRP B 6 10.614 -1.292 34.994 1.00 27.74 C -ATOM 809 CE3 TRP B 6 11.392 -3.309 33.773 1.00 28.38 C -ATOM 810 CZ2 TRP B 6 11.916 -0.871 35.149 1.00 28.41 C -ATOM 811 CZ3 TRP B 6 12.683 -2.847 33.955 1.00 30.47 C -ATOM 812 CH2 TRP B 6 12.936 -1.650 34.627 1.00 30.27 C -ATOM 813 N GLN B 7 5.917 -4.283 31.264 1.00 24.77 N -ATOM 814 CA GLN B 7 5.018 -5.140 30.496 1.00 27.36 C -ATOM 815 C GLN B 7 4.613 -4.370 29.278 1.00 26.64 C -ATOM 816 O GLN B 7 4.753 -3.158 29.243 1.00 27.14 O -ATOM 817 CB GLN B 7 3.725 -5.368 31.264 1.00 32.35 C -ATOM 818 CG GLN B 7 3.832 -6.184 32.540 1.00 40.97 C -ATOM 819 CD GLN B 7 2.652 -5.923 33.465 1.00 47.01 C -ATOM 820 OE1 GLN B 7 2.823 -5.673 34.653 1.00 52.74 O -ATOM 821 NE2 GLN B 7 1.449 -5.950 32.904 1.00 49.31 N -ATOM 822 N ARG B 8 4.062 -5.100 28.311 1.00 24.70 N -ATOM 823 CA ARG B 8 3.360 -4.434 27.221 1.00 23.71 C -ATOM 824 C ARG B 8 2.241 -3.549 27.734 1.00 24.66 C -ATOM 825 O ARG B 8 1.462 -3.966 28.582 1.00 22.12 O -ATOM 826 CB ARG B 8 2.735 -5.483 26.341 1.00 26.55 C -ATOM 827 CG ARG B 8 3.654 -6.150 25.349 1.00 30.86 C -ATOM 828 CD ARG B 8 2.824 -7.127 24.577 1.00 38.06 C -ATOM 829 NE ARG B 8 3.490 -7.608 23.371 1.00 47.11 N -ATOM 830 CZ ARG B 8 2.719 -8.025 22.332 1.00 52.55 C -ATOM 831 NH1 ARG B 8 1.387 -7.773 22.317 1.00 55.13 N -ATOM 832 NH2 ARG B 8 3.314 -8.717 21.334 1.00 55.55 N -ATOM 833 N PRO B 9 2.171 -2.339 27.176 1.00 24.62 N -ATOM 834 CA PRO B 9 1.101 -1.410 27.575 1.00 23.60 C -ATOM 835 C PRO B 9 -0.299 -1.710 26.994 1.00 23.57 C -ATOM 836 O PRO B 9 -0.806 -0.991 26.135 1.00 20.52 O -ATOM 837 CB PRO B 9 1.736 -0.075 27.134 1.00 23.08 C -ATOM 838 CG PRO B 9 2.612 -0.389 25.942 1.00 24.95 C -ATOM 839 CD PRO B 9 3.142 -1.772 26.243 1.00 23.72 C -ATOM 840 N LEU B 10 -0.909 -2.801 27.493 1.00 22.99 N -ATOM 841 CA LEU B 10 -2.271 -3.195 27.087 1.00 22.81 C -ATOM 842 C LEU B 10 -3.321 -2.552 27.929 1.00 22.28 C -ATOM 843 O LEU B 10 -3.214 -2.507 29.148 1.00 23.05 O -ATOM 844 CB LEU B 10 -2.458 -4.696 27.208 1.00 23.51 C -ATOM 845 CG LEU B 10 -1.713 -5.542 26.177 1.00 26.08 C -ATOM 846 CD1 LEU B 10 -1.644 -6.978 26.667 1.00 27.09 C -ATOM 847 CD2 LEU B 10 -2.366 -5.474 24.793 1.00 25.86 C -ATOM 848 N VAL B 11 -4.328 -2.046 27.248 1.00 19.58 N -ATOM 849 CA VAL B 11 -5.465 -1.443 27.922 1.00 19.01 C -ATOM 850 C VAL B 11 -6.745 -1.974 27.317 1.00 17.95 C -ATOM 851 O VAL B 11 -6.738 -2.536 26.233 1.00 17.29 O -ATOM 852 CB VAL B 11 -5.442 0.117 27.773 1.00 20.60 C -ATOM 853 CG1 VAL B 11 -4.204 0.691 28.452 1.00 18.86 C -ATOM 854 CG2 VAL B 11 -5.569 0.607 26.318 1.00 20.87 C -ATOM 855 N THR B 12 -7.824 -1.740 28.026 1.00 19.82 N -ATOM 856 CA THR B 12 -9.149 -2.103 27.550 1.00 23.88 C -ATOM 857 C THR B 12 -9.806 -0.928 26.818 1.00 22.46 C -ATOM 858 O THR B 12 -9.787 0.206 27.294 1.00 20.95 O -ATOM 859 CB THR B 12 -9.976 -2.556 28.795 1.00 24.32 C -ATOM 860 OG1 THR B 12 -9.251 -3.560 29.531 1.00 28.57 O -ATOM 861 CG2 THR B 12 -11.330 -3.106 28.427 1.00 25.22 C -ATOM 862 N ILE B 13 -10.369 -1.224 25.649 1.00 20.12 N -ATOM 863 CA ILE B 13 -11.052 -0.203 24.852 1.00 20.55 C -ATOM 864 C ILE B 13 -12.491 -0.597 24.654 1.00 23.53 C -ATOM 865 O ILE B 13 -12.825 -1.771 24.653 1.00 22.31 O -ATOM 866 CB ILE B 13 -10.364 0.035 23.476 1.00 18.53 C -ATOM 867 CG1 ILE B 13 -10.309 -1.183 22.560 1.00 18.94 C -ATOM 868 CG2 ILE B 13 -8.963 0.610 23.703 1.00 15.79 C -ATOM 869 CD1 ILE B 13 -9.834 -0.893 21.105 1.00 19.22 C -ATOM 870 N LYS B 14 -13.333 0.401 24.525 1.00 24.05 N -ATOM 871 CA LYS B 14 -14.676 0.078 24.119 1.00 26.67 C -ATOM 872 C LYS B 14 -14.827 0.664 22.766 1.00 27.34 C -ATOM 873 O LYS B 14 -14.534 1.838 22.564 1.00 27.63 O -ATOM 874 CB LYS B 14 -15.673 0.676 25.088 1.00 29.89 C -ATOM 875 CG LYS B 14 -17.067 0.174 24.753 1.00 36.55 C -ATOM 876 CD LYS B 14 -18.153 0.719 25.668 1.00 43.62 C -ATOM 877 CE LYS B 14 -17.949 0.323 27.138 1.00 49.08 C -ATOM 878 NZ LYS B 14 -18.897 1.029 28.031 1.00 52.07 N -ATOM 879 N ILE B 15 -15.250 -0.185 21.856 1.00 29.08 N -ATOM 880 CA ILE B 15 -15.496 0.216 20.486 1.00 29.56 C -ATOM 881 C ILE B 15 -16.667 -0.557 19.963 1.00 32.50 C -ATOM 882 O ILE B 15 -16.735 -1.764 20.083 1.00 34.63 O -ATOM 883 CB ILE B 15 -14.231 0.058 19.608 1.00 28.73 C -ATOM 884 CG1 ILE B 15 -14.521 0.600 18.215 1.00 29.12 C -ATOM 885 CG2 ILE B 15 -13.689 -1.368 19.580 1.00 26.56 C -ATOM 886 CD1 ILE B 15 -13.335 1.042 17.338 1.00 29.90 C -ATOM 887 N GLY B 16 -17.633 0.179 19.425 1.00 36.72 N -ATOM 888 CA GLY B 16 -18.855 -0.402 18.857 1.00 38.68 C -ATOM 889 C GLY B 16 -19.569 -1.300 19.832 1.00 38.62 C -ATOM 890 O GLY B 16 -20.036 -2.362 19.478 1.00 42.36 O -ATOM 891 N GLY B 17 -19.562 -0.876 21.096 1.00 38.60 N -ATOM 892 CA GLY B 17 -20.118 -1.707 22.170 1.00 35.79 C -ATOM 893 C GLY B 17 -19.368 -2.985 22.527 1.00 35.33 C -ATOM 894 O GLY B 17 -19.779 -3.734 23.401 1.00 39.28 O -ATOM 895 N GLN B 18 -18.271 -3.251 21.863 1.00 32.19 N -ATOM 896 CA GLN B 18 -17.442 -4.334 22.360 1.00 32.74 C -ATOM 897 C GLN B 18 -16.369 -3.761 23.240 1.00 31.94 C -ATOM 898 O GLN B 18 -16.001 -2.605 23.143 1.00 35.02 O -ATOM 899 CB GLN B 18 -16.744 -5.013 21.213 1.00 34.28 C -ATOM 900 CG GLN B 18 -17.666 -5.569 20.178 1.00 38.67 C -ATOM 901 CD GLN B 18 -18.290 -6.822 20.698 1.00 43.10 C -ATOM 902 OE1 GLN B 18 -17.654 -7.870 20.726 1.00 45.99 O -ATOM 903 NE2 GLN B 18 -19.568 -6.719 21.060 1.00 44.01 N -ATOM 904 N LEU B 19 -15.871 -4.619 24.073 1.00 29.12 N -ATOM 905 CA LEU B 19 -14.720 -4.293 24.871 1.00 29.03 C -ATOM 906 C LEU B 19 -13.609 -5.101 24.232 1.00 28.87 C -ATOM 907 O LEU B 19 -13.865 -6.225 23.812 1.00 30.08 O -ATOM 908 CB LEU B 19 -15.098 -4.760 26.266 1.00 29.07 C -ATOM 909 CG LEU B 19 -14.942 -3.847 27.475 1.00 32.06 C -ATOM 910 CD1 LEU B 19 -15.533 -2.466 27.258 1.00 31.10 C -ATOM 911 CD2 LEU B 19 -15.604 -4.490 28.672 1.00 30.77 C -ATOM 912 N LYS B 20 -12.414 -4.529 24.115 1.00 25.29 N -ATOM 913 CA LYS B 20 -11.262 -5.200 23.504 1.00 23.06 C -ATOM 914 C LYS B 20 -10.001 -4.791 24.201 1.00 23.50 C -ATOM 915 O LYS B 20 -10.003 -3.823 24.937 1.00 24.21 O -ATOM 916 CB LYS B 20 -11.137 -4.824 22.045 1.00 24.41 C -ATOM 917 CG LYS B 20 -12.171 -5.550 21.248 1.00 27.39 C -ATOM 918 CD LYS B 20 -12.217 -5.240 19.791 1.00 32.22 C -ATOM 919 CE LYS B 20 -13.195 -6.212 19.154 1.00 35.07 C -ATOM 920 NZ LYS B 20 -12.746 -7.591 19.422 1.00 36.31 N -ATOM 921 N GLU B 21 -8.928 -5.524 23.981 1.00 22.68 N -ATOM 922 CA GLU B 21 -7.652 -5.079 24.520 1.00 25.22 C -ATOM 923 C GLU B 21 -6.833 -4.507 23.410 1.00 21.69 C -ATOM 924 O GLU B 21 -6.932 -4.992 22.295 1.00 23.33 O -ATOM 925 CB GLU B 21 -6.869 -6.240 25.091 1.00 30.40 C -ATOM 926 CG GLU B 21 -7.165 -6.491 26.563 1.00 38.33 C -ATOM 927 CD GLU B 21 -6.126 -7.444 27.141 1.00 44.03 C -ATOM 928 OE1 GLU B 21 -5.588 -8.266 26.389 1.00 46.73 O -ATOM 929 OE2 GLU B 21 -5.851 -7.359 28.347 1.00 48.26 O -ATOM 930 N ALA B 22 -6.042 -3.499 23.721 1.00 16.92 N -ATOM 931 CA ALA B 22 -5.193 -2.882 22.706 1.00 15.79 C -ATOM 932 C ALA B 22 -3.936 -2.358 23.325 1.00 15.28 C -ATOM 933 O ALA B 22 -3.845 -2.144 24.523 1.00 16.02 O -ATOM 934 CB ALA B 22 -5.947 -1.771 22.008 1.00 14.47 C -ATOM 935 N LEU B 23 -2.952 -2.209 22.490 1.00 16.46 N -ATOM 936 CA LEU B 23 -1.647 -1.748 22.924 1.00 14.58 C -ATOM 937 C LEU B 23 -1.534 -0.258 22.636 1.00 15.32 C -ATOM 938 O LEU B 23 -1.916 0.195 21.558 1.00 13.76 O -ATOM 939 CB LEU B 23 -0.697 -2.554 22.075 1.00 16.51 C -ATOM 940 CG LEU B 23 0.755 -2.645 22.405 1.00 18.40 C -ATOM 941 CD1 LEU B 23 0.869 -3.130 23.822 1.00 21.94 C -ATOM 942 CD2 LEU B 23 1.387 -3.724 21.545 1.00 21.31 C -ATOM 943 N LEU B 24 -1.023 0.507 23.606 1.00 14.99 N -ATOM 944 CA LEU B 24 -0.766 1.921 23.327 1.00 16.25 C -ATOM 945 C LEU B 24 0.556 2.080 22.668 1.00 14.98 C -ATOM 946 O LEU B 24 1.562 1.744 23.271 1.00 16.94 O -ATOM 947 CB LEU B 24 -0.747 2.688 24.615 1.00 15.33 C -ATOM 948 CG LEU B 24 -1.990 2.606 25.468 1.00 15.25 C -ATOM 949 CD1 LEU B 24 -1.770 3.389 26.751 1.00 19.02 C -ATOM 950 CD2 LEU B 24 -3.200 3.165 24.753 1.00 15.39 C -ATOM 951 N ASP B 25 0.560 2.550 21.430 1.00 12.82 N -ATOM 952 CA ASP B 25 1.755 2.365 20.604 1.00 14.61 C -ATOM 953 C ASP B 25 2.243 3.692 20.041 1.00 15.28 C -ATOM 954 O ASP B 25 1.783 4.131 18.999 1.00 17.31 O -ATOM 955 CB ASP B 25 1.401 1.367 19.449 1.00 15.03 C -ATOM 956 CG ASP B 25 2.569 0.985 18.529 1.00 15.94 C -ATOM 957 OD1 ASP B 25 3.590 1.636 18.549 1.00 13.53 O -ATOM 958 OD2 ASP B 25 2.469 0.008 17.794 1.00 17.86 O -ATOM 959 N THR B 26 3.242 4.286 20.689 1.00 14.18 N -ATOM 960 CA THR B 26 3.819 5.519 20.159 1.00 12.31 C -ATOM 961 C THR B 26 4.600 5.400 18.850 1.00 12.41 C -ATOM 962 O THR B 26 4.963 6.390 18.244 1.00 16.13 O -ATOM 963 CB THR B 26 4.651 6.177 21.274 1.00 10.08 C -ATOM 964 OG1 THR B 26 5.792 5.378 21.584 1.00 14.11 O -ATOM 965 CG2 THR B 26 3.799 6.360 22.513 1.00 9.06 C -ATOM 966 N GLY B 27 4.858 4.183 18.374 1.00 11.48 N -ATOM 967 CA GLY B 27 5.525 4.051 17.090 1.00 10.23 C -ATOM 968 C GLY B 27 4.534 3.942 15.961 1.00 11.39 C -ATOM 969 O GLY B 27 4.927 3.830 14.814 1.00 13.55 O -ATOM 970 N ALA B 28 3.252 3.966 16.290 1.00 11.67 N -ATOM 971 CA ALA B 28 2.243 3.919 15.241 1.00 13.87 C -ATOM 972 C ALA B 28 1.594 5.270 15.027 1.00 15.95 C -ATOM 973 O ALA B 28 1.061 5.874 15.956 1.00 15.38 O -ATOM 974 CB ALA B 28 1.140 2.934 15.591 1.00 12.69 C -ATOM 975 N ASP B 29 1.635 5.717 13.770 1.00 15.46 N -ATOM 976 CA ASP B 29 0.880 6.920 13.379 1.00 15.95 C -ATOM 977 C ASP B 29 -0.616 6.802 13.500 1.00 15.65 C -ATOM 978 O ASP B 29 -1.263 7.764 13.876 1.00 15.98 O -ATOM 979 CB ASP B 29 1.115 7.339 11.932 1.00 13.77 C -ATOM 980 CG ASP B 29 2.563 7.569 11.593 1.00 14.62 C -ATOM 981 OD1 ASP B 29 3.406 7.687 12.482 1.00 16.78 O -ATOM 982 OD2 ASP B 29 2.861 7.619 10.412 1.00 18.81 O -ATOM 983 N ASP B 30 -1.127 5.629 13.142 1.00 14.89 N -ATOM 984 CA ASP B 30 -2.553 5.347 13.062 1.00 15.71 C -ATOM 985 C ASP B 30 -2.908 4.146 13.923 1.00 16.51 C -ATOM 986 O ASP B 30 -2.041 3.436 14.399 1.00 17.45 O -ATOM 987 CB ASP B 30 -2.922 4.991 11.618 1.00 21.30 C -ATOM 988 CG ASP B 30 -2.712 6.142 10.642 1.00 25.43 C -ATOM 989 OD1 ASP B 30 -3.362 7.187 10.800 1.00 29.00 O -ATOM 990 OD2 ASP B 30 -1.899 5.970 9.730 1.00 25.53 O -ATOM 991 N THR B 31 -4.202 3.963 14.110 1.00 17.56 N -ATOM 992 CA THR B 31 -4.841 2.917 14.921 1.00 19.14 C -ATOM 993 C THR B 31 -5.417 1.801 14.047 1.00 19.13 C -ATOM 994 O THR B 31 -6.279 2.028 13.198 1.00 19.15 O -ATOM 995 CB THR B 31 -5.976 3.618 15.718 1.00 16.96 C -ATOM 996 OG1 THR B 31 -5.394 4.608 16.579 1.00 17.95 O -ATOM 997 CG2 THR B 31 -6.864 2.680 16.516 1.00 14.12 C -ATOM 998 N VAL B 32 -4.893 0.594 14.284 1.00 20.71 N -ATOM 999 CA VAL B 32 -5.288 -0.594 13.525 1.00 17.59 C -ATOM 1000 C VAL B 32 -5.861 -1.630 14.441 1.00 15.96 C -ATOM 1001 O VAL B 32 -5.186 -2.030 15.372 1.00 16.10 O -ATOM 1002 CB VAL B 32 -4.094 -1.257 12.820 1.00 17.50 C -ATOM 1003 CG1 VAL B 32 -4.647 -2.060 11.636 1.00 15.30 C -ATOM 1004 CG2 VAL B 32 -3.087 -0.252 12.343 1.00 18.57 C -ATOM 1005 N LEU B 33 -7.063 -2.048 14.169 1.00 11.34 N -ATOM 1006 CA LEU B 33 -7.620 -3.157 14.914 1.00 15.95 C -ATOM 1007 C LEU B 33 -7.816 -4.371 14.023 1.00 17.20 C -ATOM 1008 O LEU B 33 -7.910 -4.267 12.812 1.00 19.16 O -ATOM 1009 CB LEU B 33 -8.948 -2.710 15.494 1.00 14.28 C -ATOM 1010 CG LEU B 33 -8.942 -1.398 16.239 1.00 16.32 C -ATOM 1011 CD1 LEU B 33 -10.360 -1.107 16.644 1.00 17.52 C -ATOM 1012 CD2 LEU B 33 -7.989 -1.427 17.423 1.00 12.47 C -ATOM 1013 N GLU B 34 -7.883 -5.526 14.651 1.00 21.01 N -ATOM 1014 CA GLU B 34 -8.295 -6.785 14.024 1.00 26.54 C -ATOM 1015 C GLU B 34 -9.640 -6.662 13.344 1.00 27.18 C -ATOM 1016 O GLU B 34 -10.430 -5.785 13.654 1.00 27.31 O -ATOM 1017 CB GLU B 34 -8.469 -7.833 15.116 1.00 30.67 C -ATOM 1018 CG GLU B 34 -9.553 -7.348 16.111 1.00 40.47 C -ATOM 1019 CD GLU B 34 -9.921 -8.345 17.187 1.00 45.84 C -ATOM 1020 OE1 GLU B 34 -10.440 -9.422 16.844 1.00 50.95 O -ATOM 1021 OE2 GLU B 34 -9.711 -8.033 18.368 1.00 45.80 O -ATOM 1022 N GLU B 35 -9.899 -7.599 12.446 1.00 32.22 N -ATOM 1023 CA GLU B 35 -11.194 -7.711 11.762 1.00 36.14 C -ATOM 1024 C GLU B 35 -12.414 -7.641 12.646 1.00 35.31 C -ATOM 1025 O GLU B 35 -12.575 -8.443 13.553 1.00 36.48 O -ATOM 1026 CB GLU B 35 -11.273 -9.049 11.051 1.00 40.10 C -ATOM 1027 CG GLU B 35 -10.503 -9.051 9.757 1.00 46.96 C -ATOM 1028 CD GLU B 35 -11.187 -8.134 8.759 1.00 49.25 C -ATOM 1029 OE1 GLU B 35 -12.427 -8.048 8.754 1.00 51.17 O -ATOM 1030 OE2 GLU B 35 -10.461 -7.511 7.983 1.00 51.05 O -ATOM 1031 N MET B 36 -13.273 -6.685 12.311 1.00 35.14 N -ATOM 1032 CA MET B 36 -14.576 -6.546 12.941 1.00 34.33 C -ATOM 1033 C MET B 36 -15.534 -5.811 12.030 1.00 35.48 C -ATOM 1034 O MET B 36 -15.141 -5.191 11.034 1.00 35.38 O -ATOM 1035 CB MET B 36 -14.416 -5.844 14.303 1.00 35.08 C -ATOM 1036 CG MET B 36 -13.828 -4.441 14.309 1.00 35.28 C -ATOM 1037 SD MET B 36 -13.532 -3.849 15.970 1.00 33.20 S -ATOM 1038 CE MET B 36 -15.229 -3.971 16.536 1.00 33.06 C -ATOM 1039 N SER B 37 -16.805 -5.916 12.396 1.00 38.04 N -ATOM 1040 CA SER B 37 -17.849 -5.071 11.800 1.00 39.85 C -ATOM 1041 C SER B 37 -17.994 -3.779 12.591 1.00 39.20 C -ATOM 1042 O SER B 37 -18.328 -3.779 13.765 1.00 38.12 O -ATOM 1043 CB SER B 37 -19.229 -5.753 11.835 1.00 41.56 C -ATOM 1044 OG SER B 37 -19.179 -7.138 11.461 1.00 46.13 O -ATOM 1045 N LEU B 38 -17.724 -2.680 11.922 1.00 39.18 N -ATOM 1046 CA LEU B 38 -18.049 -1.409 12.549 1.00 38.58 C -ATOM 1047 C LEU B 38 -19.114 -0.799 11.673 1.00 40.75 C -ATOM 1048 O LEU B 38 -19.060 -0.958 10.454 1.00 40.88 O -ATOM 1049 CB LEU B 38 -16.784 -0.560 12.579 1.00 33.16 C -ATOM 1050 CG LEU B 38 -15.749 -0.880 13.628 1.00 29.84 C -ATOM 1051 CD1 LEU B 38 -14.559 0.040 13.442 1.00 26.83 C -ATOM 1052 CD2 LEU B 38 -16.344 -0.736 15.014 1.00 28.24 C -ATOM 1053 N PRO B 39 -20.076 -0.145 12.310 1.00 42.88 N -ATOM 1054 CA PRO B 39 -21.043 0.620 11.523 1.00 44.88 C -ATOM 1055 C PRO B 39 -20.382 1.809 10.850 1.00 45.30 C -ATOM 1056 O PRO B 39 -19.434 2.411 11.336 1.00 47.02 O -ATOM 1057 CB PRO B 39 -22.116 0.958 12.567 1.00 44.60 C -ATOM 1058 CG PRO B 39 -21.428 0.933 13.926 1.00 45.54 C -ATOM 1059 CD PRO B 39 -20.286 -0.060 13.754 1.00 44.44 C -ATOM 1060 N GLY B 40 -20.894 2.098 9.683 1.00 46.25 N -ATOM 1061 CA GLY B 40 -20.200 3.118 8.928 1.00 48.99 C -ATOM 1062 C GLY B 40 -19.628 2.579 7.639 1.00 49.99 C -ATOM 1063 O GLY B 40 -19.744 1.415 7.277 1.00 49.23 O -ATOM 1064 N ARG B 41 -19.071 3.536 6.918 1.00 50.70 N -ATOM 1065 CA ARG B 41 -18.769 3.377 5.506 1.00 50.98 C -ATOM 1066 C ARG B 41 -17.268 3.362 5.433 1.00 45.91 C -ATOM 1067 O ARG B 41 -16.628 3.984 6.265 1.00 47.13 O -ATOM 1068 CB ARG B 41 -19.382 4.585 4.763 1.00 58.96 C -ATOM 1069 CG ARG B 41 -20.927 4.842 4.870 1.00 67.35 C -ATOM 1070 CD ARG B 41 -21.570 5.454 6.167 1.00 72.63 C -ATOM 1071 NE ARG B 41 -23.052 5.458 6.117 1.00 77.59 N -ATOM 1072 CZ ARG B 41 -23.873 5.685 7.171 1.00 79.30 C -ATOM 1073 NH1 ARG B 41 -23.406 5.917 8.410 1.00 80.46 N -ATOM 1074 NH2 ARG B 41 -25.193 5.684 6.936 1.00 80.15 N -ATOM 1075 N TRP B 42 -16.702 2.627 4.498 1.00 39.07 N -ATOM 1076 CA TRP B 42 -15.264 2.537 4.584 1.00 33.64 C -ATOM 1077 C TRP B 42 -14.640 2.629 3.243 1.00 33.44 C -ATOM 1078 O TRP B 42 -15.298 2.460 2.227 1.00 33.84 O -ATOM 1079 CB TRP B 42 -14.835 1.299 5.400 1.00 30.41 C -ATOM 1080 CG TRP B 42 -15.231 -0.010 4.767 1.00 27.85 C -ATOM 1081 CD1 TRP B 42 -16.359 -0.769 5.098 1.00 26.88 C -ATOM 1082 CD2 TRP B 42 -14.594 -0.710 3.727 1.00 26.64 C -ATOM 1083 NE1 TRP B 42 -16.472 -1.893 4.340 1.00 26.75 N -ATOM 1084 CE2 TRP B 42 -15.405 -1.905 3.474 1.00 27.57 C -ATOM 1085 CE3 TRP B 42 -13.457 -0.498 2.962 1.00 27.61 C -ATOM 1086 CZ2 TRP B 42 -14.998 -2.778 2.469 1.00 27.63 C -ATOM 1087 CZ3 TRP B 42 -13.079 -1.386 1.958 1.00 26.79 C -ATOM 1088 CH2 TRP B 42 -13.844 -2.513 1.720 1.00 27.66 C -ATOM 1089 N LYS B 43 -13.344 2.889 3.306 1.00 34.00 N -ATOM 1090 CA LYS B 43 -12.456 3.115 2.158 1.00 36.08 C -ATOM 1091 C LYS B 43 -11.303 2.142 2.291 1.00 32.27 C -ATOM 1092 O LYS B 43 -10.856 1.998 3.411 1.00 29.20 O -ATOM 1093 CB LYS B 43 -11.806 4.523 2.276 1.00 42.93 C -ATOM 1094 CG LYS B 43 -12.649 5.778 2.611 1.00 48.42 C -ATOM 1095 CD LYS B 43 -13.093 5.953 4.086 1.00 52.23 C -ATOM 1096 CE LYS B 43 -14.046 7.120 4.336 1.00 53.32 C -ATOM 1097 NZ LYS B 43 -13.368 8.395 4.023 1.00 54.51 N -ATOM 1098 N PRO B 44 -10.852 1.479 1.207 1.00 31.88 N -ATOM 1099 CA PRO B 44 -9.606 0.668 1.246 1.00 28.76 C -ATOM 1100 C PRO B 44 -8.351 1.512 1.404 1.00 28.87 C -ATOM 1101 O PRO B 44 -8.225 2.517 0.717 1.00 32.06 O -ATOM 1102 CB PRO B 44 -9.580 0.042 -0.148 1.00 26.47 C -ATOM 1103 CG PRO B 44 -10.992 0.121 -0.693 1.00 29.91 C -ATOM 1104 CD PRO B 44 -11.513 1.410 -0.100 1.00 31.20 C -ATOM 1105 N LYS B 45 -7.423 1.111 2.263 1.00 26.51 N -ATOM 1106 CA LYS B 45 -6.211 1.907 2.440 1.00 26.21 C -ATOM 1107 C LYS B 45 -5.055 0.963 2.588 1.00 24.65 C -ATOM 1108 O LYS B 45 -5.289 -0.189 2.895 1.00 26.13 O -ATOM 1109 CB LYS B 45 -6.372 2.698 3.722 1.00 29.82 C -ATOM 1110 CG LYS B 45 -5.231 3.657 3.985 1.00 33.93 C -ATOM 1111 CD LYS B 45 -5.158 4.023 5.452 1.00 39.85 C -ATOM 1112 CE LYS B 45 -3.844 4.685 5.856 1.00 42.50 C -ATOM 1113 NZ LYS B 45 -3.658 5.989 5.202 1.00 45.80 N -ATOM 1114 N MET B 46 -3.835 1.429 2.379 1.00 23.65 N -ATOM 1115 CA MET B 46 -2.657 0.603 2.619 1.00 26.92 C -ATOM 1116 C MET B 46 -1.874 1.227 3.731 1.00 27.51 C -ATOM 1117 O MET B 46 -1.735 2.444 3.750 1.00 29.00 O -ATOM 1118 CB MET B 46 -1.645 0.633 1.481 1.00 29.16 C -ATOM 1119 CG MET B 46 -2.139 0.259 0.103 1.00 33.78 C -ATOM 1120 SD MET B 46 -2.452 -1.486 -0.134 1.00 36.74 S -ATOM 1121 CE MET B 46 -0.812 -2.077 0.291 1.00 34.15 C -ATOM 1122 N ILE B 47 -1.333 0.398 4.632 1.00 25.30 N -ATOM 1123 CA ILE B 47 -0.407 0.874 5.666 1.00 23.00 C -ATOM 1124 C ILE B 47 0.811 -0.001 5.665 1.00 19.74 C -ATOM 1125 O ILE B 47 0.736 -1.097 5.157 1.00 19.26 O -ATOM 1126 CB ILE B 47 -1.061 0.804 7.060 1.00 23.86 C -ATOM 1127 CG1 ILE B 47 -1.597 -0.577 7.396 1.00 22.97 C -ATOM 1128 CG2 ILE B 47 -2.176 1.824 7.194 1.00 22.94 C -ATOM 1129 CD1 ILE B 47 -2.121 -0.614 8.826 1.00 25.36 C -ATOM 1130 N GLY B 48 1.919 0.472 6.225 1.00 18.78 N -ATOM 1131 CA GLY B 48 3.106 -0.371 6.222 1.00 18.33 C -ATOM 1132 C GLY B 48 3.894 -0.291 7.486 1.00 18.04 C -ATOM 1133 O GLY B 48 3.727 0.619 8.286 1.00 17.16 O -ATOM 1134 N GLY B 49 4.773 -1.246 7.641 1.00 15.77 N -ATOM 1135 CA GLY B 49 5.546 -1.301 8.850 1.00 18.59 C -ATOM 1136 C GLY B 49 6.610 -2.288 8.554 1.00 21.05 C -ATOM 1137 O GLY B 49 6.918 -2.526 7.399 1.00 22.93 O -ATOM 1138 N ILE B 50 7.163 -2.869 9.598 1.00 21.18 N -ATOM 1139 CA ILE B 50 8.151 -3.935 9.420 1.00 25.03 C -ATOM 1140 C ILE B 50 7.479 -5.062 8.687 1.00 24.44 C -ATOM 1141 O ILE B 50 6.358 -5.469 9.003 1.00 25.07 O -ATOM 1142 CB ILE B 50 8.557 -4.426 10.806 1.00 26.95 C -ATOM 1143 CG1 ILE B 50 9.505 -3.479 11.524 1.00 29.69 C -ATOM 1144 CG2 ILE B 50 9.097 -5.856 10.855 1.00 28.12 C -ATOM 1145 CD1 ILE B 50 10.978 -3.472 11.110 1.00 31.20 C -ATOM 1146 N GLY B 51 8.188 -5.495 7.669 1.00 24.35 N -ATOM 1147 CA GLY B 51 7.626 -6.616 6.919 1.00 22.94 C -ATOM 1148 C GLY B 51 6.806 -6.239 5.721 1.00 22.47 C -ATOM 1149 O GLY B 51 6.628 -7.058 4.843 1.00 24.03 O -ATOM 1150 N GLY B 52 6.329 -5.012 5.699 1.00 23.32 N -ATOM 1151 CA GLY B 52 5.721 -4.574 4.474 1.00 23.62 C -ATOM 1152 C GLY B 52 4.388 -3.966 4.708 1.00 23.95 C -ATOM 1153 O GLY B 52 4.162 -3.364 5.746 1.00 24.48 O -ATOM 1154 N PHE B 53 3.564 -4.083 3.657 1.00 24.24 N -ATOM 1155 CA PHE B 53 2.370 -3.252 3.390 1.00 24.28 C -ATOM 1156 C PHE B 53 1.161 -4.145 3.375 1.00 24.44 C -ATOM 1157 O PHE B 53 1.188 -5.220 2.788 1.00 27.24 O -ATOM 1158 CB PHE B 53 2.435 -2.498 2.007 1.00 21.51 C -ATOM 1159 CG PHE B 53 3.313 -1.277 2.078 1.00 21.71 C -ATOM 1160 CD1 PHE B 53 4.685 -1.401 1.972 1.00 22.77 C -ATOM 1161 CD2 PHE B 53 2.757 -0.047 2.382 1.00 21.12 C -ATOM 1162 CE1 PHE B 53 5.526 -0.323 2.204 1.00 23.94 C -ATOM 1163 CE2 PHE B 53 3.595 1.034 2.598 1.00 23.49 C -ATOM 1164 CZ PHE B 53 4.985 0.905 2.520 1.00 23.33 C -ATOM 1165 N ILE B 54 0.135 -3.680 4.070 1.00 23.03 N -ATOM 1166 CA ILE B 54 -1.112 -4.402 4.167 1.00 22.31 C -ATOM 1167 C ILE B 54 -2.228 -3.457 3.801 1.00 24.13 C -ATOM 1168 O ILE B 54 -2.111 -2.249 3.911 1.00 21.35 O -ATOM 1169 CB ILE B 54 -1.332 -4.990 5.589 1.00 21.08 C -ATOM 1170 CG1 ILE B 54 -1.414 -3.987 6.710 1.00 20.81 C -ATOM 1171 CG2 ILE B 54 -0.252 -6.001 5.938 1.00 22.20 C -ATOM 1172 CD1 ILE B 54 -2.143 -4.518 7.952 1.00 19.63 C -ATOM 1173 N LYS B 55 -3.303 -4.057 3.362 1.00 26.00 N -ATOM 1174 CA LYS B 55 -4.490 -3.305 3.059 1.00 28.56 C -ATOM 1175 C LYS B 55 -5.446 -3.429 4.220 1.00 25.82 C -ATOM 1176 O LYS B 55 -5.514 -4.465 4.874 1.00 25.81 O -ATOM 1177 CB LYS B 55 -5.009 -3.890 1.754 1.00 34.67 C -ATOM 1178 CG LYS B 55 -6.149 -3.104 1.096 1.00 43.79 C -ATOM 1179 CD LYS B 55 -6.473 -3.684 -0.274 1.00 49.05 C -ATOM 1180 CE LYS B 55 -6.841 -5.157 -0.185 1.00 51.76 C -ATOM 1181 NZ LYS B 55 -6.699 -5.790 -1.497 1.00 53.54 N -ATOM 1182 N VAL B 56 -6.146 -2.341 4.492 1.00 23.12 N -ATOM 1183 CA VAL B 56 -7.028 -2.206 5.646 1.00 19.98 C -ATOM 1184 C VAL B 56 -8.250 -1.459 5.185 1.00 21.39 C -ATOM 1185 O VAL B 56 -8.261 -0.900 4.103 1.00 22.40 O -ATOM 1186 CB VAL B 56 -6.316 -1.423 6.795 1.00 18.89 C -ATOM 1187 CG1 VAL B 56 -5.206 -2.247 7.439 1.00 15.53 C -ATOM 1188 CG2 VAL B 56 -5.780 -0.053 6.340 1.00 18.71 C -ATOM 1189 N ARG B 57 -9.273 -1.456 6.009 1.00 22.65 N -ATOM 1190 CA ARG B 57 -10.445 -0.628 5.758 1.00 23.65 C -ATOM 1191 C ARG B 57 -10.398 0.541 6.695 1.00 21.76 C -ATOM 1192 O ARG B 57 -10.010 0.386 7.846 1.00 19.06 O -ATOM 1193 CB ARG B 57 -11.703 -1.418 6.093 1.00 27.93 C -ATOM 1194 CG ARG B 57 -11.730 -2.651 5.207 1.00 33.56 C -ATOM 1195 CD ARG B 57 -12.949 -3.561 5.289 1.00 37.23 C -ATOM 1196 NE ARG B 57 -12.946 -4.483 6.418 1.00 40.23 N -ATOM 1197 CZ ARG B 57 -13.758 -4.232 7.429 1.00 43.52 C -ATOM 1198 NH1 ARG B 57 -14.365 -3.045 7.461 1.00 45.35 N -ATOM 1199 NH2 ARG B 57 -13.946 -5.170 8.367 1.00 46.92 N -ATOM 1200 N GLN B 58 -10.785 1.696 6.190 1.00 19.51 N -ATOM 1201 CA GLN B 58 -10.695 2.892 7.028 1.00 20.50 C -ATOM 1202 C GLN B 58 -12.070 3.370 7.387 1.00 19.89 C -ATOM 1203 O GLN B 58 -12.878 3.621 6.499 1.00 22.52 O -ATOM 1204 CB GLN B 58 -9.949 3.960 6.240 1.00 20.31 C -ATOM 1205 CG GLN B 58 -9.890 5.305 6.961 1.00 24.11 C -ATOM 1206 CD GLN B 58 -9.118 6.307 6.163 1.00 24.54 C -ATOM 1207 OE1 GLN B 58 -7.958 6.137 5.877 1.00 29.41 O -ATOM 1208 NE2 GLN B 58 -9.742 7.414 5.857 1.00 28.22 N -ATOM 1209 N TYR B 59 -12.301 3.504 8.673 1.00 17.61 N -ATOM 1210 CA TYR B 59 -13.531 4.116 9.140 1.00 20.83 C -ATOM 1211 C TYR B 59 -13.155 5.423 9.786 1.00 23.27 C -ATOM 1212 O TYR B 59 -12.271 5.518 10.625 1.00 21.74 O -ATOM 1213 CB TYR B 59 -14.173 3.255 10.203 1.00 20.55 C -ATOM 1214 CG TYR B 59 -14.698 1.948 9.669 1.00 22.28 C -ATOM 1215 CD1 TYR B 59 -13.880 0.822 9.497 1.00 23.66 C -ATOM 1216 CD2 TYR B 59 -16.051 1.881 9.391 1.00 23.96 C -ATOM 1217 CE1 TYR B 59 -14.419 -0.384 9.055 1.00 23.34 C -ATOM 1218 CE2 TYR B 59 -16.591 0.682 8.958 1.00 23.61 C -ATOM 1219 CZ TYR B 59 -15.787 -0.441 8.800 1.00 24.54 C -ATOM 1220 OH TYR B 59 -16.403 -1.633 8.448 1.00 25.63 O -ATOM 1221 N ASP B 60 -13.834 6.449 9.346 1.00 27.26 N -ATOM 1222 CA ASP B 60 -13.638 7.790 9.892 1.00 29.74 C -ATOM 1223 C ASP B 60 -14.646 8.069 10.976 1.00 30.06 C -ATOM 1224 O ASP B 60 -15.741 7.517 10.979 1.00 29.06 O -ATOM 1225 CB ASP B 60 -13.860 8.832 8.800 1.00 29.21 C -ATOM 1226 CG ASP B 60 -12.750 8.812 7.788 1.00 30.48 C -ATOM 1227 OD1 ASP B 60 -11.624 8.468 8.151 1.00 28.47 O -ATOM 1228 OD2 ASP B 60 -13.014 9.172 6.640 1.00 33.26 O -ATOM 1229 N GLN B 61 -14.219 8.974 11.859 1.00 30.84 N -ATOM 1230 CA GLN B 61 -15.008 9.547 12.948 1.00 35.22 C -ATOM 1231 C GLN B 61 -15.721 8.520 13.855 1.00 33.82 C -ATOM 1232 O GLN B 61 -16.911 8.597 14.140 1.00 33.05 O -ATOM 1233 CB GLN B 61 -15.916 10.680 12.373 1.00 38.68 C -ATOM 1234 CG GLN B 61 -16.096 11.871 13.330 1.00 45.37 C -ATOM 1235 CD GLN B 61 -17.230 12.829 12.935 1.00 49.32 C -ATOM 1236 OE1 GLN B 61 -17.048 14.023 12.758 1.00 49.43 O -ATOM 1237 NE2 GLN B 61 -18.435 12.296 12.830 1.00 52.73 N -ATOM 1238 N ILE B 62 -14.926 7.555 14.314 1.00 31.94 N -ATOM 1239 CA ILE B 62 -15.416 6.503 15.201 1.00 28.54 C -ATOM 1240 C ILE B 62 -15.089 6.897 16.602 1.00 26.26 C -ATOM 1241 O ILE B 62 -14.002 7.385 16.890 1.00 26.24 O -ATOM 1242 CB ILE B 62 -14.734 5.167 14.815 1.00 28.72 C -ATOM 1243 CG1 ILE B 62 -15.098 4.680 13.410 1.00 30.76 C -ATOM 1244 CG2 ILE B 62 -15.021 4.043 15.784 1.00 27.75 C -ATOM 1245 CD1 ILE B 62 -16.584 4.289 13.148 1.00 31.44 C -ATOM 1246 N LEU B 63 -16.088 6.692 17.439 1.00 24.64 N -ATOM 1247 CA LEU B 63 -15.914 6.963 18.860 1.00 27.41 C -ATOM 1248 C LEU B 63 -15.395 5.729 19.538 1.00 25.61 C -ATOM 1249 O LEU B 63 -15.926 4.646 19.358 1.00 26.85 O -ATOM 1250 CB LEU B 63 -17.262 7.424 19.397 1.00 29.70 C -ATOM 1251 CG LEU B 63 -17.515 7.824 20.853 1.00 34.11 C -ATOM 1252 CD1 LEU B 63 -17.984 6.637 21.673 1.00 34.82 C -ATOM 1253 CD2 LEU B 63 -16.330 8.492 21.527 1.00 33.69 C -ATOM 1254 N ILE B 64 -14.345 5.909 20.293 1.00 23.24 N -ATOM 1255 CA ILE B 64 -13.790 4.805 21.052 1.00 23.10 C -ATOM 1256 C ILE B 64 -13.440 5.335 22.428 1.00 23.20 C -ATOM 1257 O ILE B 64 -13.139 6.512 22.598 1.00 24.67 O -ATOM 1258 CB ILE B 64 -12.594 4.267 20.240 1.00 24.47 C -ATOM 1259 CG1 ILE B 64 -11.686 3.269 20.942 1.00 22.20 C -ATOM 1260 CG2 ILE B 64 -11.786 5.415 19.620 1.00 25.45 C -ATOM 1261 CD1 ILE B 64 -10.699 2.646 19.948 1.00 25.72 C -ATOM 1262 N GLU B 65 -13.539 4.458 23.416 1.00 22.21 N -ATOM 1263 CA GLU B 65 -13.089 4.857 24.745 1.00 21.63 C -ATOM 1264 C GLU B 65 -11.903 4.066 25.220 1.00 22.03 C -ATOM 1265 O GLU B 65 -11.961 2.843 25.255 1.00 22.93 O -ATOM 1266 CB GLU B 65 -14.123 4.548 25.738 1.00 23.34 C -ATOM 1267 CG GLU B 65 -15.259 5.490 25.736 1.00 29.03 C -ATOM 1268 CD GLU B 65 -16.092 5.087 26.914 1.00 32.79 C -ATOM 1269 OE1 GLU B 65 -15.559 4.620 27.930 1.00 36.09 O -ATOM 1270 OE2 GLU B 65 -17.295 5.235 26.788 1.00 35.33 O -ATOM 1271 N ILE B 66 -10.853 4.775 25.608 1.00 18.70 N -ATOM 1272 CA ILE B 66 -9.603 4.164 26.039 1.00 18.05 C -ATOM 1273 C ILE B 66 -9.469 4.466 27.500 1.00 21.22 C -ATOM 1274 O ILE B 66 -9.210 5.600 27.882 1.00 18.66 O -ATOM 1275 CB ILE B 66 -8.434 4.778 25.236 1.00 16.17 C -ATOM 1276 CG1 ILE B 66 -8.747 4.599 23.762 1.00 15.83 C -ATOM 1277 CG2 ILE B 66 -7.093 4.120 25.584 1.00 14.00 C -ATOM 1278 CD1 ILE B 66 -8.028 5.549 22.835 1.00 19.83 C -ATOM 1279 N CYS B 67 -9.731 3.441 28.306 1.00 24.30 N -ATOM 1280 CA CYS B 67 -9.783 3.618 29.763 1.00 30.10 C -ATOM 1281 C CYS B 67 -10.720 4.744 30.191 1.00 30.39 C -ATOM 1282 O CYS B 67 -10.329 5.684 30.876 1.00 30.05 O -ATOM 1283 CB CYS B 67 -8.376 3.859 30.346 1.00 32.09 C -ATOM 1284 SG CYS B 67 -7.224 2.492 30.094 1.00 39.82 S -ATOM 1285 N GLY B 68 -11.947 4.649 29.689 1.00 30.30 N -ATOM 1286 CA GLY B 68 -12.906 5.721 29.945 1.00 33.32 C -ATOM 1287 C GLY B 68 -12.605 7.131 29.389 1.00 34.81 C -ATOM 1288 O GLY B 68 -13.289 8.079 29.748 1.00 36.70 O -ATOM 1289 N HIS B 69 -11.590 7.278 28.507 1.00 31.25 N -ATOM 1290 CA HIS B 69 -11.354 8.585 27.854 1.00 27.73 C -ATOM 1291 C HIS B 69 -11.825 8.486 26.439 1.00 26.41 C -ATOM 1292 O HIS B 69 -11.413 7.577 25.748 1.00 27.85 O -ATOM 1293 CB HIS B 69 -9.876 8.905 27.808 1.00 26.81 C -ATOM 1294 CG HIS B 69 -9.327 9.175 29.191 1.00 28.31 C -ATOM 1295 ND1 HIS B 69 -9.182 8.259 30.164 1.00 30.55 N -ATOM 1296 CD2 HIS B 69 -8.880 10.397 29.684 1.00 29.24 C -ATOM 1297 CE1 HIS B 69 -8.648 8.881 31.255 1.00 28.38 C -ATOM 1298 NE2 HIS B 69 -8.464 10.198 30.952 1.00 29.51 N -ATOM 1299 N LYS B 70 -12.722 9.370 26.034 1.00 27.18 N -ATOM 1300 CA LYS B 70 -13.218 9.304 24.643 1.00 29.44 C -ATOM 1301 C LYS B 70 -12.275 9.928 23.640 1.00 27.86 C -ATOM 1302 O LYS B 70 -11.539 10.871 23.916 1.00 25.97 O -ATOM 1303 CB LYS B 70 -14.551 10.009 24.501 1.00 32.51 C -ATOM 1304 CG LYS B 70 -15.547 9.377 25.430 1.00 37.60 C -ATOM 1305 CD LYS B 70 -16.652 10.328 25.838 1.00 42.99 C -ATOM 1306 CE LYS B 70 -17.368 9.829 27.093 1.00 47.50 C -ATOM 1307 NZ LYS B 70 -17.993 8.514 26.837 1.00 49.16 N -ATOM 1308 N ALA B 71 -12.351 9.340 22.472 1.00 25.11 N -ATOM 1309 CA ALA B 71 -11.595 9.778 21.324 1.00 23.01 C -ATOM 1310 C ALA B 71 -12.566 9.534 20.218 1.00 21.35 C -ATOM 1311 O ALA B 71 -13.349 8.601 20.303 1.00 23.92 O -ATOM 1312 CB ALA B 71 -10.360 8.915 21.169 1.00 20.62 C -ATOM 1313 N ILE B 72 -12.568 10.403 19.231 1.00 20.33 N -ATOM 1314 CA ILE B 72 -13.387 10.225 18.028 1.00 17.91 C -ATOM 1315 C ILE B 72 -12.493 10.440 16.821 1.00 18.73 C -ATOM 1316 O ILE B 72 -11.973 11.530 16.587 1.00 21.00 O -ATOM 1317 CB ILE B 72 -14.573 11.198 17.994 1.00 18.48 C -ATOM 1318 CG1 ILE B 72 -15.436 11.184 19.242 1.00 15.96 C -ATOM 1319 CG2 ILE B 72 -15.453 10.924 16.765 1.00 20.40 C -ATOM 1320 CD1 ILE B 72 -16.597 12.179 19.149 1.00 16.95 C -ATOM 1321 N GLY B 73 -12.257 9.394 16.066 1.00 16.81 N -ATOM 1322 CA GLY B 73 -11.168 9.532 15.107 1.00 15.82 C -ATOM 1323 C GLY B 73 -11.187 8.386 14.145 1.00 17.45 C -ATOM 1324 O GLY B 73 -12.101 7.581 14.169 1.00 18.41 O -ATOM 1325 N THR B 74 -10.189 8.370 13.286 1.00 17.58 N -ATOM 1326 CA THR B 74 -10.080 7.329 12.270 1.00 18.83 C -ATOM 1327 C THR B 74 -9.571 6.005 12.848 1.00 18.47 C -ATOM 1328 O THR B 74 -8.601 5.941 13.602 1.00 16.72 O -ATOM 1329 CB THR B 74 -9.141 7.885 11.162 1.00 18.88 C -ATOM 1330 OG1 THR B 74 -9.767 8.986 10.492 1.00 20.29 O -ATOM 1331 CG2 THR B 74 -8.720 6.838 10.126 1.00 19.15 C -ATOM 1332 N VAL B 75 -10.253 4.955 12.449 1.00 17.87 N -ATOM 1333 CA VAL B 75 -9.881 3.632 12.920 1.00 19.19 C -ATOM 1334 C VAL B 75 -9.713 2.763 11.674 1.00 19.72 C -ATOM 1335 O VAL B 75 -10.554 2.746 10.783 1.00 19.60 O -ATOM 1336 CB VAL B 75 -11.015 3.201 13.905 1.00 20.43 C -ATOM 1337 CG1 VAL B 75 -11.152 1.704 14.066 1.00 22.42 C -ATOM 1338 CG2 VAL B 75 -10.779 3.784 15.305 1.00 18.31 C -ATOM 1339 N LEU B 76 -8.564 2.099 11.592 1.00 19.49 N -ATOM 1340 CA LEU B 76 -8.324 1.163 10.487 1.00 19.46 C -ATOM 1341 C LEU B 76 -8.494 -0.289 10.994 1.00 20.18 C -ATOM 1342 O LEU B 76 -8.054 -0.624 12.085 1.00 18.73 O -ATOM 1343 CB LEU B 76 -6.909 1.349 9.952 1.00 15.52 C -ATOM 1344 CG LEU B 76 -6.373 2.748 9.732 1.00 14.56 C -ATOM 1345 CD1 LEU B 76 -4.962 2.619 9.295 1.00 14.10 C -ATOM 1346 CD2 LEU B 76 -7.054 3.450 8.591 1.00 16.24 C -ATOM 1347 N VAL B 77 -9.169 -1.124 10.201 1.00 21.09 N -ATOM 1348 CA VAL B 77 -9.465 -2.529 10.539 1.00 22.31 C -ATOM 1349 C VAL B 77 -8.817 -3.404 9.478 1.00 22.54 C -ATOM 1350 O VAL B 77 -8.971 -3.143 8.282 1.00 24.21 O -ATOM 1351 CB VAL B 77 -10.990 -2.723 10.549 1.00 20.38 C -ATOM 1352 CG1 VAL B 77 -11.357 -4.184 10.703 1.00 21.22 C -ATOM 1353 CG2 VAL B 77 -11.593 -1.958 11.715 1.00 20.51 C -ATOM 1354 N GLY B 78 -8.051 -4.401 9.927 1.00 21.68 N -ATOM 1355 CA GLY B 78 -7.196 -5.136 9.003 1.00 20.97 C -ATOM 1356 C GLY B 78 -6.504 -6.271 9.691 1.00 22.88 C -ATOM 1357 O GLY B 78 -6.701 -6.505 10.879 1.00 23.48 O -ATOM 1358 N PRO B 79 -5.682 -6.981 8.913 1.00 24.01 N -ATOM 1359 CA PRO B 79 -4.988 -8.195 9.420 1.00 23.39 C -ATOM 1360 C PRO B 79 -3.760 -7.891 10.281 1.00 22.04 C -ATOM 1361 O PRO B 79 -2.628 -8.127 9.894 1.00 21.95 O -ATOM 1362 CB PRO B 79 -4.657 -8.900 8.093 1.00 23.03 C -ATOM 1363 CG PRO B 79 -4.387 -7.766 7.106 1.00 24.43 C -ATOM 1364 CD PRO B 79 -5.404 -6.702 7.499 1.00 23.76 C -ATOM 1365 N THR B 80 -4.013 -7.343 11.461 1.00 22.66 N -ATOM 1366 CA THR B 80 -2.923 -6.951 12.350 1.00 20.81 C -ATOM 1367 C THR B 80 -2.590 -8.024 13.368 1.00 19.90 C -ATOM 1368 O THR B 80 -3.466 -8.685 13.888 1.00 21.88 O -ATOM 1369 CB THR B 80 -3.317 -5.586 13.016 1.00 20.34 C -ATOM 1370 OG1 THR B 80 -2.229 -5.098 13.823 1.00 21.47 O -ATOM 1371 CG2 THR B 80 -4.603 -5.623 13.802 1.00 16.28 C -ATOM 1372 N PRO B 81 -1.308 -8.177 13.663 1.00 20.49 N -ATOM 1373 CA PRO B 81 -0.896 -9.040 14.769 1.00 21.71 C -ATOM 1374 C PRO B 81 -1.435 -8.667 16.151 1.00 25.04 C -ATOM 1375 O PRO B 81 -1.631 -9.545 16.987 1.00 26.36 O -ATOM 1376 CB PRO B 81 0.627 -8.940 14.707 1.00 21.24 C -ATOM 1377 CG PRO B 81 0.941 -7.625 14.022 1.00 22.59 C -ATOM 1378 CD PRO B 81 -0.168 -7.550 13.003 1.00 21.49 C -ATOM 1379 N VAL B 82 -1.652 -7.372 16.370 1.00 25.42 N -ATOM 1380 CA VAL B 82 -2.118 -6.853 17.663 1.00 24.86 C -ATOM 1381 C VAL B 82 -3.017 -5.654 17.403 1.00 21.86 C -ATOM 1382 O VAL B 82 -2.839 -4.954 16.425 1.00 19.24 O -ATOM 1383 CB VAL B 82 -0.863 -6.496 18.549 1.00 28.24 C -ATOM 1384 CG1 VAL B 82 0.096 -5.506 17.912 1.00 29.09 C -ATOM 1385 CG2 VAL B 82 -1.228 -5.923 19.911 1.00 30.26 C -ATOM 1386 N ASN B 83 -3.987 -5.420 18.272 1.00 20.65 N -ATOM 1387 CA ASN B 83 -4.711 -4.145 18.230 1.00 20.12 C -ATOM 1388 C ASN B 83 -3.853 -3.003 18.751 1.00 20.50 C -ATOM 1389 O ASN B 83 -3.398 -3.059 19.885 1.00 21.11 O -ATOM 1390 CB ASN B 83 -5.935 -4.232 19.120 1.00 19.47 C -ATOM 1391 CG ASN B 83 -7.002 -5.158 18.585 1.00 19.45 C -ATOM 1392 OD1 ASN B 83 -7.102 -5.418 17.390 1.00 21.01 O -ATOM 1393 ND2 ASN B 83 -7.796 -5.674 19.510 1.00 15.91 N -ATOM 1394 N ILE B 84 -3.626 -1.997 17.906 1.00 16.39 N -ATOM 1395 CA ILE B 84 -2.725 -0.866 18.127 1.00 16.62 C -ATOM 1396 C ILE B 84 -3.564 0.372 18.273 1.00 17.62 C -ATOM 1397 O ILE B 84 -4.370 0.661 17.400 1.00 15.63 O -ATOM 1398 CB ILE B 84 -1.916 -0.773 16.843 1.00 15.86 C -ATOM 1399 CG1 ILE B 84 -0.885 -1.855 16.805 1.00 18.42 C -ATOM 1400 CG2 ILE B 84 -1.202 0.535 16.631 1.00 17.34 C -ATOM 1401 CD1 ILE B 84 -0.336 -1.953 15.379 1.00 20.48 C -ATOM 1402 N ILE B 85 -3.362 1.097 19.366 1.00 17.04 N -ATOM 1403 CA ILE B 85 -3.860 2.478 19.415 1.00 15.71 C -ATOM 1404 C ILE B 85 -2.715 3.444 19.045 1.00 14.95 C -ATOM 1405 O ILE B 85 -1.688 3.437 19.708 1.00 15.68 O -ATOM 1406 CB ILE B 85 -4.361 2.785 20.834 1.00 15.43 C -ATOM 1407 CG1 ILE B 85 -5.394 1.819 21.407 1.00 15.66 C -ATOM 1408 CG2 ILE B 85 -4.909 4.214 20.890 1.00 15.38 C -ATOM 1409 CD1 ILE B 85 -6.738 1.815 20.643 1.00 16.04 C -ATOM 1410 N GLY B 86 -2.872 4.222 17.970 1.00 13.49 N -ATOM 1411 CA GLY B 86 -1.707 4.961 17.500 1.00 13.35 C -ATOM 1412 C GLY B 86 -1.793 6.394 17.902 1.00 12.55 C -ATOM 1413 O GLY B 86 -2.729 6.814 18.558 1.00 11.11 O -ATOM 1414 N ARG B 87 -0.818 7.163 17.464 1.00 12.07 N -ATOM 1415 CA ARG B 87 -0.760 8.574 17.843 1.00 12.62 C -ATOM 1416 C ARG B 87 -1.921 9.442 17.469 1.00 12.68 C -ATOM 1417 O ARG B 87 -2.183 10.427 18.141 1.00 15.90 O -ATOM 1418 CB ARG B 87 0.478 9.204 17.317 1.00 13.31 C -ATOM 1419 CG ARG B 87 1.759 8.657 17.907 1.00 12.39 C -ATOM 1420 CD ARG B 87 2.917 9.507 17.437 1.00 13.59 C -ATOM 1421 NE ARG B 87 3.090 9.433 15.988 1.00 16.49 N -ATOM 1422 CZ ARG B 87 2.640 10.346 15.127 1.00 20.44 C -ATOM 1423 NH1 ARG B 87 2.067 11.484 15.558 1.00 20.24 N -ATOM 1424 NH2 ARG B 87 2.743 10.094 13.830 1.00 18.79 N -ATOM 1425 N ASN B 88 -2.657 9.047 16.444 1.00 10.41 N -ATOM 1426 CA ASN B 88 -3.871 9.778 16.136 1.00 10.59 C -ATOM 1427 C ASN B 88 -4.877 9.797 17.256 1.00 13.31 C -ATOM 1428 O ASN B 88 -5.602 10.770 17.389 1.00 14.27 O -ATOM 1429 CB ASN B 88 -4.566 9.298 14.840 1.00 11.53 C -ATOM 1430 CG ASN B 88 -5.260 7.946 14.970 1.00 13.54 C -ATOM 1431 OD1 ASN B 88 -4.671 6.980 15.418 1.00 15.61 O -ATOM 1432 ND2 ASN B 88 -6.527 7.900 14.623 1.00 12.46 N -ATOM 1433 N LEU B 89 -4.937 8.743 18.061 1.00 14.19 N -ATOM 1434 CA LEU B 89 -5.928 8.756 19.163 1.00 14.27 C -ATOM 1435 C LEU B 89 -5.262 9.012 20.514 1.00 13.77 C -ATOM 1436 O LEU B 89 -5.880 9.469 21.461 1.00 17.34 O -ATOM 1437 CB LEU B 89 -6.738 7.463 19.182 1.00 12.65 C -ATOM 1438 CG LEU B 89 -7.592 7.180 17.965 1.00 13.94 C -ATOM 1439 CD1 LEU B 89 -8.296 5.856 18.104 1.00 14.66 C -ATOM 1440 CD2 LEU B 89 -8.644 8.267 17.820 1.00 14.41 C -ATOM 1441 N LEU B 90 -3.961 8.757 20.575 1.00 13.49 N -ATOM 1442 CA LEU B 90 -3.214 9.034 21.805 1.00 13.84 C -ATOM 1443 C LEU B 90 -3.104 10.525 22.126 1.00 15.77 C -ATOM 1444 O LEU B 90 -3.198 10.909 23.283 1.00 15.12 O -ATOM 1445 CB LEU B 90 -1.833 8.391 21.723 1.00 12.50 C -ATOM 1446 CG LEU B 90 -1.703 6.868 21.746 1.00 11.14 C -ATOM 1447 CD1 LEU B 90 -0.261 6.507 21.453 1.00 8.03 C -ATOM 1448 CD2 LEU B 90 -2.218 6.263 23.053 1.00 11.33 C -ATOM 1449 N THR B 91 -2.961 11.360 21.090 1.00 12.79 N -ATOM 1450 CA THR B 91 -3.030 12.815 21.299 1.00 13.94 C -ATOM 1451 C THR B 91 -4.350 13.358 21.842 1.00 13.33 C -ATOM 1452 O THR B 91 -4.342 14.278 22.629 1.00 13.36 O -ATOM 1453 CB THR B 91 -2.698 13.529 19.980 1.00 14.84 C -ATOM 1454 OG1 THR B 91 -3.568 13.062 18.949 1.00 16.72 O -ATOM 1455 CG2 THR B 91 -1.272 13.304 19.547 1.00 10.49 C -ATOM 1456 N GLN B 92 -5.473 12.752 21.432 1.00 15.43 N -ATOM 1457 CA GLN B 92 -6.839 13.141 21.844 1.00 15.90 C -ATOM 1458 C GLN B 92 -7.120 12.921 23.306 1.00 18.10 C -ATOM 1459 O GLN B 92 -7.777 13.723 23.949 1.00 19.75 O -ATOM 1460 CB GLN B 92 -7.962 12.379 21.109 1.00 17.04 C -ATOM 1461 CG GLN B 92 -7.957 12.451 19.579 1.00 18.07 C -ATOM 1462 CD GLN B 92 -9.343 12.269 18.979 1.00 18.23 C -ATOM 1463 OE1 GLN B 92 -10.357 12.206 19.652 1.00 20.09 O -ATOM 1464 NE2 GLN B 92 -9.382 12.199 17.659 1.00 16.66 N -ATOM 1465 N ILE B 93 -6.567 11.805 23.799 1.00 18.33 N -ATOM 1466 CA ILE B 93 -6.579 11.485 25.228 1.00 18.82 C -ATOM 1467 C ILE B 93 -5.405 12.113 26.008 1.00 20.38 C -ATOM 1468 O ILE B 93 -5.225 11.845 27.187 1.00 22.94 O -ATOM 1469 CB ILE B 93 -6.644 9.939 25.477 1.00 18.85 C -ATOM 1470 CG1 ILE B 93 -5.310 9.152 25.280 1.00 18.39 C -ATOM 1471 CG2 ILE B 93 -7.790 9.364 24.645 1.00 16.59 C -ATOM 1472 CD1 ILE B 93 -5.323 7.642 25.601 1.00 19.60 C -ATOM 1473 N GLY B 94 -4.619 12.956 25.345 1.00 18.68 N -ATOM 1474 CA GLY B 94 -3.564 13.686 26.046 1.00 19.37 C -ATOM 1475 C GLY B 94 -2.427 12.825 26.567 1.00 21.79 C -ATOM 1476 O GLY B 94 -1.986 12.954 27.696 1.00 21.47 O -ATOM 1477 N CYS B 95 -1.951 11.933 25.715 1.00 20.73 N -ATOM 1478 CA CYS B 95 -0.944 11.002 26.193 1.00 20.03 C -ATOM 1479 C CYS B 95 0.425 11.542 25.854 1.00 19.39 C -ATOM 1480 O CYS B 95 0.555 12.123 24.788 1.00 21.68 O -ATOM 1481 CB CYS B 95 -1.294 9.689 25.492 1.00 21.54 C -ATOM 1482 SG CYS B 95 -0.345 8.275 26.048 1.00 24.61 S -ATOM 1483 N THR B 96 1.416 11.402 26.761 1.00 18.54 N -ATOM 1484 CA THR B 96 2.823 11.813 26.543 1.00 19.06 C -ATOM 1485 C THR B 96 3.800 10.743 27.001 1.00 18.09 C -ATOM 1486 O THR B 96 3.465 9.901 27.819 1.00 19.11 O -ATOM 1487 CB THR B 96 3.151 13.145 27.294 1.00 20.60 C -ATOM 1488 OG1 THR B 96 2.807 13.077 28.691 1.00 19.86 O -ATOM 1489 CG2 THR B 96 2.454 14.352 26.658 1.00 20.24 C -ATOM 1490 N LEU B 97 4.998 10.826 26.464 1.00 18.58 N -ATOM 1491 CA LEU B 97 6.088 10.019 26.947 1.00 19.35 C -ATOM 1492 C LEU B 97 6.889 10.833 27.896 1.00 20.50 C -ATOM 1493 O LEU B 97 7.239 11.973 27.621 1.00 20.76 O -ATOM 1494 CB LEU B 97 6.999 9.700 25.793 1.00 22.42 C -ATOM 1495 CG LEU B 97 6.572 8.650 24.780 1.00 25.75 C -ATOM 1496 CD1 LEU B 97 7.444 8.707 23.542 1.00 26.48 C -ATOM 1497 CD2 LEU B 97 6.710 7.265 25.363 1.00 26.38 C -ATOM 1498 N ASN B 98 7.178 10.233 29.023 1.00 22.28 N -ATOM 1499 CA ASN B 98 7.913 10.962 30.048 1.00 23.25 C -ATOM 1500 C ASN B 98 9.075 10.182 30.552 1.00 23.02 C -ATOM 1501 O ASN B 98 8.954 9.031 30.892 1.00 24.96 O -ATOM 1502 CB ASN B 98 6.979 11.225 31.218 1.00 24.06 C -ATOM 1503 CG ASN B 98 5.849 12.137 30.789 1.00 25.14 C -ATOM 1504 OD1 ASN B 98 4.896 11.739 30.140 1.00 27.00 O -ATOM 1505 ND2 ASN B 98 5.986 13.399 31.143 1.00 27.14 N -ATOM 1506 N PHE B 99 10.208 10.799 30.635 1.00 25.09 N -ATOM 1507 CA PHE B 99 11.312 10.223 31.394 1.00 30.73 C -ATOM 1508 C PHE B 99 12.231 11.333 31.898 1.00 35.44 C -ATOM 1509 O PHE B 99 11.849 12.520 31.788 1.00 39.39 O -ATOM 1510 CB PHE B 99 12.086 9.185 30.583 1.00 30.53 C -ATOM 1511 CG PHE B 99 12.768 9.717 29.345 1.00 30.41 C -ATOM 1512 CD1 PHE B 99 12.063 9.814 28.147 1.00 31.21 C -ATOM 1513 CD2 PHE B 99 14.108 10.079 29.399 1.00 29.79 C -ATOM 1514 CE1 PHE B 99 12.699 10.277 27.003 1.00 30.39 C -ATOM 1515 CE2 PHE B 99 14.736 10.545 28.248 1.00 29.73 C -ATOM 1516 CZ PHE B 99 14.036 10.646 27.049 1.00 29.51 C -ATOM 1517 OXT PHE B 99 13.359 11.073 32.339 1.00 36.71 O -TER 1518 PHE B 99 -HETATM 1519 C1 KNI B 900 6.848 1.181 6.159 1.00 31.81 C -HETATM 1520 C2 KNI B 900 6.303 2.017 7.116 1.00 31.46 C -HETATM 1521 C3 KNI B 900 6.886 3.273 7.363 1.00 30.02 C -HETATM 1522 C4 KNI B 900 7.991 3.592 6.613 1.00 31.19 C -HETATM 1523 C5 KNI B 900 8.468 2.649 5.645 1.00 31.22 C -HETATM 1524 C6 KNI B 900 6.352 4.170 8.347 1.00 28.81 C -HETATM 1525 C7 KNI B 900 7.000 5.388 8.521 1.00 29.66 C -HETATM 1526 C8 KNI B 900 8.109 5.715 7.774 1.00 32.04 C -HETATM 1527 C9 KNI B 900 8.629 4.846 6.816 1.00 32.83 C -HETATM 1528 C10 KNI B 900 5.140 4.375 10.352 1.00 22.94 C -HETATM 1529 C11 KNI B 900 4.067 3.683 11.106 1.00 20.49 C -HETATM 1530 N1 KNI B 900 7.907 1.459 5.427 1.00 32.44 N -HETATM 1531 O1 KNI B 900 5.235 3.791 9.082 1.00 25.21 O -HETATM 1532 O3 KNI B 900 3.327 4.297 11.852 1.00 22.09 O -HETATM 1533 N2 KNI B 900 3.955 2.384 10.893 1.00 21.41 N -HETATM 1534 C26 KNI B 900 3.028 1.603 11.696 1.00 22.03 C -HETATM 1535 C12 KNI B 900 1.944 1.001 10.835 1.00 24.82 C -HETATM 1536 S1 KNI B 900 0.668 0.435 11.993 1.00 31.66 S -HETATM 1537 C27 KNI B 900 -0.158 2.056 12.160 1.00 28.64 C -HETATM 1538 C13 KNI B 900 3.783 0.542 12.457 1.00 19.38 C -HETATM 1539 O6 KNI B 900 3.758 -0.629 12.111 1.00 19.61 O -HETATM 1540 C17 KNI B 900 5.339 -1.386 16.330 1.00 19.01 C -HETATM 1541 N3 KNI B 900 4.496 0.982 13.492 1.00 17.23 N -HETATM 1542 O4 KNI B 900 6.324 -1.234 17.045 1.00 17.77 O -HETATM 1543 C15 KNI B 900 4.705 -0.180 15.642 1.00 17.64 C -HETATM 1544 C28 KNI B 900 7.372 0.900 12.976 1.00 19.72 C -HETATM 1545 C16 KNI B 900 6.775 0.654 14.347 1.00 17.12 C -HETATM 1546 C31 KNI B 900 8.465 1.319 10.446 1.00 20.30 C -HETATM 1547 C14 KNI B 900 5.350 0.082 14.274 1.00 18.12 C -HETATM 1548 O2 KNI B 900 4.949 0.934 16.427 1.00 17.78 O -HETATM 1549 C29 KNI B 900 7.401 2.166 12.426 1.00 20.68 C -HETATM 1550 C33 KNI B 900 7.899 -0.146 12.245 1.00 20.35 C -HETATM 1551 C30 KNI B 900 7.949 2.368 11.171 1.00 21.38 C -HETATM 1552 C32 KNI B 900 8.437 0.066 10.993 1.00 20.29 C -HETATM 1553 N4 KNI B 900 4.742 -2.565 16.064 1.00 20.71 N -HETATM 1554 C20 KNI B 900 3.544 -2.664 15.224 1.00 20.81 C -HETATM 1555 C18 KNI B 900 5.373 -3.819 16.506 1.00 19.84 C -HETATM 1556 C19 KNI B 900 4.427 -4.993 16.258 1.00 18.96 C -HETATM 1557 S2 KNI B 900 3.263 -4.440 14.973 1.00 25.22 S -HETATM 1558 C21 KNI B 900 6.653 -3.979 15.741 1.00 19.96 C -HETATM 1559 O5 KNI B 900 6.746 -3.574 14.588 1.00 21.99 O -HETATM 1560 N5 KNI B 900 7.637 -4.575 16.403 1.00 16.49 N -HETATM 1561 C22 KNI B 900 9.013 -4.639 15.892 1.00 17.46 C -HETATM 1562 C23 KNI B 900 9.556 -3.249 15.542 1.00 17.61 C -HETATM 1563 C24 KNI B 900 9.097 -5.567 14.678 1.00 18.08 C -HETATM 1564 C25 KNI B 900 9.880 -5.183 17.021 1.00 17.58 C -HETATM 1565 H1 KNI B 900 6.383 0.216 6.001 1.00 15.00 H -HETATM 1566 H2 KNI B 900 5.462 1.763 7.709 1.00 15.00 H -HETATM 1567 H5 KNI B 900 9.336 2.914 5.059 1.00 15.00 H -HETATM 1568 H7 KNI B 900 6.644 6.089 9.258 1.00 15.00 H -HETATM 1569 H8 KNI B 900 8.607 6.660 7.934 1.00 15.00 H -HETATM 1570 H9 KNI B 900 9.509 5.125 6.251 1.00 15.00 H -HETATM 1571 H101 KNI B 900 4.908 5.440 10.280 1.00 15.00 H -HETATM 1572 H102 KNI B 900 6.065 4.272 10.920 1.00 15.00 H -HETATM 1573 HN2 KNI B 900 4.542 1.915 10.237 1.00 15.00 H -HETATM 1574 H26 KNI B 900 2.537 2.226 12.444 1.00 15.00 H -HETATM 1575 H121 KNI B 900 2.302 0.156 10.249 1.00 15.00 H -HETATM 1576 H122 KNI B 900 1.512 1.728 10.147 1.00 15.00 H -HETATM 1577 H271 KNI B 900 -0.988 1.969 12.855 1.00 15.00 H -HETATM 1578 H272 KNI B 900 -0.541 2.377 11.191 1.00 15.00 H -HETATM 1579 H273 KNI B 900 0.538 2.811 12.523 1.00 15.00 H -HETATM 1580 HN3 KNI B 900 4.476 1.951 13.750 1.00 15.00 H -HETATM 1581 H15 KNI B 900 3.620 -0.263 15.574 1.00 15.00 H -HETATM 1582 H161 KNI B 900 7.437 -0.007 14.910 1.00 15.00 H -HETATM 1583 H162 KNI B 900 6.759 1.590 14.911 1.00 15.00 H -HETATM 1584 H31 KNI B 900 8.887 1.478 9.463 1.00 15.00 H -HETATM 1585 H14 KNI B 900 5.427 -0.878 13.760 1.00 15.00 H -HETATM 1586 HO2 KNI B 900 5.877 0.783 16.664 1.00 15.00 H -HETATM 1587 H29 KNI B 900 6.993 3.000 12.984 1.00 15.00 H -HETATM 1588 H33 KNI B 900 7.884 -1.138 12.675 1.00 15.00 H -HETATM 1589 H30 KNI B 900 7.975 3.365 10.758 1.00 15.00 H -HETATM 1590 H32 KNI B 900 8.849 -0.762 10.435 1.00 15.00 H -HETATM 1591 H201 KNI B 900 2.687 -2.203 15.712 1.00 15.00 H -HETATM 1592 H202 KNI B 900 3.705 -2.186 14.257 1.00 15.00 H -HETATM 1593 H18 KNI B 900 5.597 -3.754 17.573 1.00 15.00 H -HETATM 1594 H191 KNI B 900 3.861 -5.207 17.164 1.00 15.00 H -HETATM 1595 H192 KNI B 900 4.934 -5.915 15.968 1.00 15.00 H -HETATM 1596 HN5 KNI B 900 7.441 -4.932 17.320 1.00 15.00 H -HETATM 1597 H231 KNI B 900 10.609 -3.299 15.265 1.00 15.00 H -HETATM 1598 H232 KNI B 900 9.470 -2.559 16.382 1.00 15.00 H -HETATM 1599 H233 KNI B 900 9.037 -2.794 14.699 1.00 15.00 H -HETATM 1600 H241 KNI B 900 10.113 -5.614 14.289 1.00 15.00 H -HETATM 1601 H242 KNI B 900 8.454 -5.241 13.864 1.00 15.00 H -HETATM 1602 H243 KNI B 900 8.795 -6.582 14.938 1.00 15.00 H -HETATM 1603 H251 KNI B 900 10.897 -5.385 16.679 1.00 15.00 H -HETATM 1604 H252 KNI B 900 9.487 -6.117 17.421 1.00 15.00 H -HETATM 1605 H253 KNI B 900 9.956 -4.474 17.846 1.00 15.00 H -HETATM 1606 O HOH A 426 5.168 -3.550 23.425 1.00 16.60 O -HETATM 1607 O HOH B 301 5.499 -3.017 11.986 1.00 13.08 O -HETATM 1608 O HOH B 406 5.131 7.471 15.747 1.00 17.02 O -HETATM 1609 O HOH B 566 5.422 6.114 13.151 1.00 14.08 O -HETATM 1610 O HOH B 607 2.605 -2.931 18.488 1.00 28.52 O -HETATM 1611 O HOH B 608 6.800 -5.786 19.049 1.00 25.58 O -CONECT 1519 1520 1530 1565 -CONECT 1520 1519 1521 1566 -CONECT 1521 1520 1522 1524 -CONECT 1522 1521 1523 1527 -CONECT 1523 1522 1530 1567 -CONECT 1524 1521 1525 1531 -CONECT 1525 1524 1526 1568 -CONECT 1526 1525 1527 1569 -CONECT 1527 1522 1526 1570 -CONECT 1528 1529 1531 1571 1572 -CONECT 1529 1528 1532 1533 -CONECT 1530 1519 1523 -CONECT 1531 1524 1528 -CONECT 1532 1529 -CONECT 1533 1529 1534 1573 -CONECT 1534 1533 1535 1538 1574 -CONECT 1535 1534 1536 1575 1576 -CONECT 1536 1535 1537 -CONECT 1537 1536 1577 1578 1579 -CONECT 1538 1534 1539 1541 -CONECT 1539 1538 -CONECT 1540 1542 1543 1553 -CONECT 1541 1538 1547 1580 -CONECT 1542 1540 -CONECT 1543 1540 1547 1548 1581 -CONECT 1544 1545 1549 1550 -CONECT 1545 1544 1547 1582 1583 -CONECT 1546 1551 1552 1584 -CONECT 1547 1541 1543 1545 1585 -CONECT 1548 1543 1586 -CONECT 1549 1544 1551 1587 -CONECT 1550 1544 1552 1588 -CONECT 1551 1546 1549 1589 -CONECT 1552 1546 1550 1590 -CONECT 1553 1540 1554 1555 -CONECT 1554 1553 1557 1591 1592 -CONECT 1555 1553 1556 1558 1593 -CONECT 1556 1555 1557 1594 1595 -CONECT 1557 1554 1556 -CONECT 1558 1555 1559 1560 -CONECT 1559 1558 -CONECT 1560 1558 1561 1596 -CONECT 1561 1560 1562 1563 1564 -CONECT 1562 1561 1597 1598 1599 -CONECT 1563 1561 1600 1601 1602 -CONECT 1564 1561 1603 1604 1605 -CONECT 1565 1519 -CONECT 1566 1520 -CONECT 1567 1523 -CONECT 1568 1525 -CONECT 1569 1526 -CONECT 1570 1527 -CONECT 1571 1528 -CONECT 1572 1528 -CONECT 1573 1533 -CONECT 1574 1534 -CONECT 1575 1535 -CONECT 1576 1535 -CONECT 1577 1537 -CONECT 1578 1537 -CONECT 1579 1537 -CONECT 1580 1541 -CONECT 1581 1543 -CONECT 1582 1545 -CONECT 1583 1545 -CONECT 1584 1546 -CONECT 1585 1547 -CONECT 1586 1548 -CONECT 1587 1549 -CONECT 1588 1550 -CONECT 1589 1551 -CONECT 1590 1552 -CONECT 1591 1554 -CONECT 1592 1554 -CONECT 1593 1555 -CONECT 1594 1556 -CONECT 1595 1556 -CONECT 1596 1560 -CONECT 1597 1562 -CONECT 1598 1562 -CONECT 1599 1562 -CONECT 1600 1563 -CONECT 1601 1563 -CONECT 1602 1563 -CONECT 1603 1564 -CONECT 1604 1564 -CONECT 1605 1564 -MASTER 253 0 1 2 17 0 5 6 1568 2 87 16 -END |