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Diffstat (limited to 'plip/test/pdb/1hii.pdb')
| -rw-r--r-- | plip/test/pdb/1hii.pdb | 2163 |
1 files changed, 0 insertions, 2163 deletions
diff --git a/plip/test/pdb/1hii.pdb b/plip/test/pdb/1hii.pdb deleted file mode 100644 index 72c207c..0000000 --- a/plip/test/pdb/1hii.pdb +++ /dev/null @@ -1,2163 +0,0 @@ -HEADER HYDROLASE (ASPARTIC PROTEINASE) 31-MAR-95 1HII -TITLE COMPARATIVE ANALYSIS OF THE X-RAY STRUCTURES OF HIV-1 AND -TITLE 2 HIV-2 PROTEASES IN COMPLEX WITH CGP 53820, A NOVEL -TITLE 3 PSEUDOSYMMETRIC INHIBITOR -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: HIV-2 PROTEASE; -COMPND 3 CHAIN: A, B; -COMPND 4 EC: 3.4.23.-; -COMPND 5 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 2; -SOURCE 3 ORGANISM_TAXID: 11709; -SOURCE 4 CELL_LINE: S2; -SOURCE 5 GENE: POL; -SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; -SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PT7Q10H; -SOURCE 9 EXPRESSION_SYSTEM_GENE: POL -KEYWDS ASPARTATE PROTEASE, INHIBITED, HIV, HYDROLASE (ASPARTIC -KEYWDS 2 PROTEINASE) -EXPDTA X-RAY DIFFRACTION -AUTHOR J.P.PRIESTLE,M.G.GRUETTER -REVDAT 3 24-FEB-09 1HII 1 VERSN -REVDAT 2 01-APR-03 1HII 1 JRNL -REVDAT 1 10-JUL-95 1HII 0 -JRNL AUTH J.P.PRIESTLE,A.FASSLER,J.ROSEL,M.TINTELNOT-BLOMLEY, -JRNL AUTH 2 P.STROP,M.G.GRUTTER -JRNL TITL COMPARATIVE ANALYSIS OF THE X-RAY STRUCTURES OF -JRNL TITL 2 HIV-1 AND HIV-2 PROTEASES IN COMPLEX WITH CGP -JRNL TITL 3 53820, A NOVEL PSEUDOSYMMETRIC INHIBITOR. -JRNL REF STRUCTURE V. 3 381 1995 -JRNL REFN ISSN 0969-2126 -JRNL PMID 7613867 -JRNL DOI 10.1016/S0969-2126(01)00169-1 -REMARK 1 -REMARK 1 REFERENCE 1 -REMARK 1 AUTH A.FASSLER,J.ROSEL,M.TINTELNOT-BLOMLEY,E.ALTERI, -REMARK 1 AUTH 2 G.BOLD,M.LANG -REMARK 1 TITL NOVEL PSEUDOSYMMETRIC INHIBITORS OF HIV-1 PROTEASE -REMARK 1 REF BIOORG.MED.CHEM.LETT. V. 3 2837 1993 -REMARK 1 REFN ISSN 0960-894X -REMARK 2 -REMARK 2 RESOLUTION. 2.30 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : TNT, X-PLOR -REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 -REMARK 3 COMPLETENESS FOR RANGE (%) : 94.1 -REMARK 3 NUMBER OF REFLECTIONS : 8879 -REMARK 3 -REMARK 3 USING DATA ABOVE SIGMA CUTOFF. -REMARK 3 CROSS-VALIDATION METHOD : NULL -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 R VALUE (WORKING + TEST SET) : 0.138 -REMARK 3 R VALUE (WORKING SET) : NULL -REMARK 3 FREE R VALUE : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT : NULL -REMARK 3 -REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. -REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL -REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL -REMARK 3 FREE R VALUE (NO CUTOFF) : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL -REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 1510 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 51 -REMARK 3 SOLVENT ATOMS : 194 -REMARK 3 -REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT -REMARK 3 BOND LENGTHS (A) : 0.012 ; NULL ; NULL -REMARK 3 BOND ANGLES (DEGREES) : 2.000 ; NULL ; NULL -REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL -REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL -REMARK 3 TRIGONAL CARBON PLANES (A) : NULL ; NULL ; NULL -REMARK 3 GENERAL PLANES (A) : NULL ; NULL ; NULL -REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL -REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL -REMARK 3 -REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL -REMARK 3 -REMARK 3 BULK SOLVENT MODELING. -REMARK 3 METHOD USED : NULL -REMARK 3 KSOL : NULL -REMARK 3 BSOL : NULL -REMARK 3 -REMARK 3 RESTRAINT LIBRARIES. -REMARK 3 STEREOCHEMISTRY : NULL -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1HII COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : FEB-93 -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) : NULL -REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : AREA DETECTOR -REMARK 200 DETECTOR MANUFACTURER : ENRAF-NONIUS FAST -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MADNES -REMARK 200 DATA SCALING SOFTWARE : NULL -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9517 -REMARK 200 RESOLUTION RANGE HIGH (A) : NULL -REMARK 200 RESOLUTION RANGE LOW (A) : NULL -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 94.3 -REMARK 200 DATA REDUNDANCY : 4.130 -REMARK 200 R MERGE (I) : 0.05100 -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 (%): 50.50 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.48 -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 16.70000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 49.75000 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 32.10000 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 49.75000 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 16.70000 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 32.10000 -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 300 REMARK: MTRIX -REMARK 300 THE TRANSFORMATIONS PRESENTED ON MTRIX RECORDS BELOW -REMARK 300 DESCRIBE NON-CRYSTALLOGRAPHIC RELATIONSHIPS AMONG THE -REMARK 300 VARIOUS DOMAINS IN THIS ENTRY. APPLYING THE APPROPRIATE -REMARK 300 MTRIX TRANSFORMATION TO THE RESIDUES LISTED FIRST WILL -REMARK 300 YIELD APPROXIMATE COORDINATES FOR THE RESIDUES LISTED -REMARK 300 SECOND. -REMARK 300 -REMARK 300 APPLIED TO TRANSFORMED TO -REMARK 300 MTRIX RESIDUES RESIDUES RMSD -REMARK 300 M1 A 1 .. A 99 B 1 .. B 99 0.479 -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: 5090 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 9470 ANGSTROM**2 -REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -42.0 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 400 -REMARK 400 COMPOUND -REMARK 400 COMPND -REMARK 400 MOLECULE: HIV-2 PROTEASE. ROD ISOLATE. -REMARK 525 -REMARK 525 SOLVENT -REMARK 525 -REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT -REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST -REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT -REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE -REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; -REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE -REMARK 525 NUMBER; I=INSERTION CODE): -REMARK 525 -REMARK 525 M RES CSSEQI -REMARK 525 HOH B 174 DISTANCE = 6.50 ANGSTROMS -REMARK 600 -REMARK 600 HETEROGEN -REMARK 600 SOURCE 1 -REMARK 600 MOLECULE_NAME: CGP 53820. PSEUDOSYMMETRIC -REMARK 600 TRANSITION-STATE ANALOG. -REMARK 600 SOURCE 2 -REMARK 600 MOLECULE_NAME: SULFATE ION (SO4). PSEUDOSYMMETRIC -REMARK 600 TRANSITION-STATE ANALOG. -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: CAT -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: NULL -REMARK 800 SITE_IDENTIFIER: S2 -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: NULL -REMARK 800 SITE_IDENTIFIER: S1 -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: NULL -REMARK 800 SITE_IDENTIFIER: S1P -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: NULL -REMARK 800 SITE_IDENTIFIER: S2P -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: NULL -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 100 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 100 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE C20 B 101 -DBREF 1HII A 1 99 UNP P04584 POL_HV2RO 86 184 -DBREF 1HII B 1 99 UNP P04584 POL_HV2RO 86 184 -SEQRES 1 A 99 PRO GLN PHE SER LEU TRP LYS ARG PRO VAL VAL THR ALA -SEQRES 2 A 99 TYR ILE GLU GLY GLN PRO VAL GLU VAL LEU LEU ASP THR -SEQRES 3 A 99 GLY ALA ASP ASP SER ILE VAL ALA GLY ILE GLU LEU GLY -SEQRES 4 A 99 ASN ASN TYR SER PRO LYS ILE VAL GLY GLY ILE GLY GLY -SEQRES 5 A 99 PHE ILE ASN THR LYS GLU TYR LYS ASN VAL GLU ILE GLU -SEQRES 6 A 99 VAL LEU ASN LYS LYS VAL ARG ALA THR ILE MET THR GLY -SEQRES 7 A 99 ASP THR PRO ILE ASN ILE PHE GLY ARG ASN ILE LEU THR -SEQRES 8 A 99 ALA LEU GLY MET SER LEU ASN LEU -SEQRES 1 B 99 PRO GLN PHE SER LEU TRP LYS ARG PRO VAL VAL THR ALA -SEQRES 2 B 99 TYR ILE GLU GLY GLN PRO VAL GLU VAL LEU LEU ASP THR -SEQRES 3 B 99 GLY ALA ASP ASP SER ILE VAL ALA GLY ILE GLU LEU GLY -SEQRES 4 B 99 ASN ASN TYR SER PRO LYS ILE VAL GLY GLY ILE GLY GLY -SEQRES 5 B 99 PHE ILE ASN THR LYS GLU TYR LYS ASN VAL GLU ILE GLU -SEQRES 6 B 99 VAL LEU ASN LYS LYS VAL ARG ALA THR ILE MET THR GLY -SEQRES 7 B 99 ASP THR PRO ILE ASN ILE PHE GLY ARG ASN ILE LEU THR -SEQRES 8 B 99 ALA LEU GLY MET SER LEU ASN LEU -HET SO4 A 100 5 -HET SO4 B 100 5 -HET C20 B 101 41 -HETNAM SO4 SULFATE ION -HETNAM C20 ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL- -HETNAM 2 C20 NH-ACETYL -HETSYN C20 CGP 53820 -FORMUL 3 SO4 2(O4 S 2-) -FORMUL 5 C20 C31 H51 N5 O5 -FORMUL 6 HOH *194(H2 O) -HELIX 1 1 ARG A 87 LEU A 93 1 7 -HELIX 2 2 ARG B 87 LEU B 93 1 7 -SHEET 1 A 4 GLN A 18 LEU A 23 0 -SHEET 2 A 4 VAL A 10 ILE A 15 -1 N ILE A 15 O GLN A 18 -SHEET 3 A 4 VAL A 62 VAL A 66 -1 N GLU A 65 O TYR A 14 -SHEET 4 A 4 LYS A 69 ALA A 73 -1 N ALA A 73 O VAL A 62 -SHEET 1 B 3 TYR A 42 GLY A 48 0 -SHEET 2 B 3 PHE A 53 TYR A 59 -1 N GLU A 58 O SER A 43 -SHEET 3 B 3 ILE A 75 THR A 77 -1 N THR A 77 O LYS A 57 -SHEET 1 C 2 SER A 96 ASN A 98 0 -SHEET 2 C 2 SER B 96 ASN B 98 -1 N ASN B 98 O SER A 96 -SHEET 1 D 4 GLN B 18 LEU B 23 0 -SHEET 2 D 4 VAL B 10 ILE B 15 -1 N ILE B 15 O GLN B 18 -SHEET 3 D 4 VAL B 62 VAL B 66 -1 N GLU B 65 O TYR B 14 -SHEET 4 D 4 LYS B 69 ALA B 73 -1 N ALA B 73 O VAL B 62 -SHEET 1 E 3 SER B 43 GLY B 49 0 -SHEET 2 E 3 GLY B 52 TYR B 59 -1 N GLU B 58 O SER B 43 -SHEET 3 E 3 ILE B 75 THR B 77 -1 N THR B 77 O LYS B 57 -SITE 1 CAT 2 ASP A 25 ASP B 25 -SITE 1 S2 6 ILE A 50 ALA B 28 ASP B 30 ILE B 32 -SITE 2 S2 6 VAL B 47 ILE B 84 -SITE 1 S1 9 ARG A 8 LEU A 23 THR A 80 PRO A 81 -SITE 2 S1 9 ILE A 82 ILE A 84 GLY B 27 GLY B 49 -SITE 3 S1 9 ILE B 50 -SITE 1 S1P 9 GLY A 27 GLY A 49 ILE A 50 ARG B 8 -SITE 2 S1P 9 LEU B 23 THR B 80 PRO B 81 ILE B 82 -SITE 3 S1P 9 ILE B 84 -SITE 1 S2P 6 ALA A 28 ASP A 30 ILE A 32 VAL A 47 -SITE 2 S2P 6 ILE A 84 ILE B 50 -SITE 1 AC1 6 LYS A 69 THR A 74 ASN A 88 HOH A 112 -SITE 2 AC1 6 HOH A 128 HOH A 174 -SITE 1 AC2 4 PRO A 1 GLN A 2 ARG B 8 HOH B 171 -SITE 1 AC3 16 ASP A 25 GLY A 27 ALA A 28 ASP A 29 -SITE 2 AC3 16 GLY A 48 GLY A 49 ILE A 82 ASP B 25 -SITE 3 AC3 16 GLY B 27 ALA B 28 ASP B 29 VAL B 47 -SITE 4 AC3 16 GLY B 48 GLY B 49 ILE B 50 HOH B 102 -CRYST1 33.400 64.200 99.500 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 0.029940 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.015576 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.010050 0.00000 -MTRIX1 1 0.263360 -0.907330 0.327720 35.48000 1 -MTRIX2 1 -0.908970 -0.347180 -0.230730 58.68000 1 -MTRIX3 1 0.323130 -0.237120 -0.916170 26.44000 1 -ATOM 1 N PRO A 1 37.834 22.218 10.685 1.00 28.94 N -ATOM 2 CA PRO A 1 37.587 23.580 11.228 1.00 28.74 C -ATOM 3 C PRO A 1 36.599 23.522 12.381 1.00 27.84 C -ATOM 4 O PRO A 1 35.642 22.760 12.351 1.00 28.42 O -ATOM 5 CB PRO A 1 37.049 24.454 10.099 1.00 29.26 C -ATOM 6 CG PRO A 1 37.781 23.933 8.944 1.00 31.88 C -ATOM 7 CD PRO A 1 37.757 22.408 9.197 1.00 30.80 C -ATOM 8 N GLN A 2 36.850 24.306 13.412 1.00 27.63 N -ATOM 9 CA GLN A 2 35.963 24.318 14.551 1.00 28.09 C -ATOM 10 C GLN A 2 35.411 25.722 14.720 1.00 24.98 C -ATOM 11 O GLN A 2 36.139 26.676 14.546 1.00 26.73 O -ATOM 12 CB GLN A 2 36.708 23.880 15.820 1.00 31.75 C -ATOM 13 CG GLN A 2 35.797 23.882 17.058 1.00 48.39 C -ATOM 14 CD GLN A 2 36.488 23.440 18.339 1.00 54.13 C -ATOM 15 OE1 GLN A 2 37.018 22.326 18.422 1.00 61.45 O -ATOM 16 NE2 GLN A 2 36.437 24.288 19.361 1.00 50.58 N -ATOM 17 N PHE A 3 34.109 25.845 14.954 1.00 22.24 N -ATOM 18 CA PHE A 3 33.508 27.150 15.181 1.00 19.57 C -ATOM 19 C PHE A 3 33.099 27.139 16.638 1.00 17.63 C -ATOM 20 O PHE A 3 32.297 26.295 17.043 1.00 15.47 O -ATOM 21 CB PHE A 3 32.301 27.375 14.270 1.00 22.75 C -ATOM 22 CG PHE A 3 32.659 27.462 12.815 1.00 17.04 C -ATOM 23 CD1 PHE A 3 32.887 26.309 12.069 1.00 21.23 C -ATOM 24 CD2 PHE A 3 32.816 28.689 12.202 1.00 19.01 C -ATOM 25 CE1 PHE A 3 33.266 26.381 10.731 1.00 21.03 C -ATOM 26 CE2 PHE A 3 33.192 28.770 10.864 1.00 19.22 C -ATOM 27 CZ PHE A 3 33.421 27.619 10.129 1.00 19.97 C -ATOM 28 N SER A 4 33.675 28.060 17.417 1.00 16.16 N -ATOM 29 CA SER A 4 33.424 28.165 18.860 1.00 16.58 C -ATOM 30 C SER A 4 32.064 28.750 19.247 1.00 14.73 C -ATOM 31 O SER A 4 31.641 28.629 20.382 1.00 19.20 O -ATOM 32 CB SER A 4 34.532 28.975 19.519 1.00 12.85 C -ATOM 33 OG SER A 4 34.549 30.297 19.039 1.00 17.60 O -ATOM 34 N LEU A 5 31.429 29.438 18.315 1.00 12.97 N -ATOM 35 CA LEU A 5 30.114 30.030 18.483 1.00 11.18 C -ATOM 36 C LEU A 5 30.076 31.305 19.270 1.00 14.26 C -ATOM 37 O LEU A 5 28.996 31.803 19.539 1.00 16.29 O -ATOM 38 CB LEU A 5 29.090 29.036 19.019 1.00 6.32 C -ATOM 39 CG LEU A 5 28.956 27.737 18.208 1.00 14.03 C -ATOM 40 CD1 LEU A 5 28.065 26.749 18.960 1.00 11.98 C -ATOM 41 CD2 LEU A 5 28.430 27.998 16.785 1.00 8.28 C -ATOM 42 N TRP A 6 31.237 31.850 19.641 1.00 15.29 N -ATOM 43 CA TRP A 6 31.239 33.138 20.349 1.00 15.12 C -ATOM 44 C TRP A 6 30.830 34.196 19.328 1.00 14.88 C -ATOM 45 O TRP A 6 30.350 35.247 19.692 1.00 19.32 O -ATOM 46 CB TRP A 6 32.599 33.479 20.978 1.00 14.98 C -ATOM 47 CG TRP A 6 32.894 32.602 22.139 1.00 13.79 C -ATOM 48 CD1 TRP A 6 33.687 31.521 22.132 1.00 20.37 C -ATOM 49 CD2 TRP A 6 32.314 32.690 23.441 1.00 23.50 C -ATOM 50 NE1 TRP A 6 33.639 30.883 23.357 1.00 24.31 N -ATOM 51 CE2 TRP A 6 32.803 31.573 24.186 1.00 22.92 C -ATOM 52 CE3 TRP A 6 31.435 33.571 24.073 1.00 28.68 C -ATOM 53 CZ2 TRP A 6 32.440 31.333 25.513 1.00 18.70 C -ATOM 54 CZ3 TRP A 6 31.068 33.336 25.414 1.00 31.49 C -ATOM 55 CH2 TRP A 6 31.571 32.217 26.109 1.00 24.51 C -ATOM 56 N LYS A 7 31.053 33.923 18.049 1.00 15.42 N -ATOM 57 CA LYS A 7 30.623 34.838 16.993 1.00 16.83 C -ATOM 58 C LYS A 7 29.717 33.989 16.098 1.00 14.40 C -ATOM 59 O LYS A 7 29.728 32.764 16.202 1.00 13.12 O -ATOM 60 CB LYS A 7 31.829 35.357 16.199 1.00 23.43 C -ATOM 61 CG LYS A 7 32.934 36.007 17.050 1.00 34.36 C -ATOM 62 CD LYS A 7 32.879 37.553 17.057 1.00 49.16 C -ATOM 63 CE LYS A 7 31.720 38.166 17.886 1.00 55.07 C -ATOM 64 NZ LYS A 7 31.767 37.834 19.351 1.00 59.66 N -ATOM 65 N ARG A 8 28.910 34.637 15.266 1.00 15.07 N -ATOM 66 CA ARG A 8 28.033 33.951 14.309 1.00 13.70 C -ATOM 67 C ARG A 8 28.905 33.109 13.366 1.00 13.88 C -ATOM 68 O ARG A 8 29.894 33.603 12.836 1.00 12.66 O -ATOM 69 CB ARG A 8 27.222 34.996 13.532 1.00 12.95 C -ATOM 70 CG ARG A 8 25.788 35.057 13.979 1.00 14.44 C -ATOM 71 CD ARG A 8 25.240 36.413 14.265 1.00 19.85 C -ATOM 72 NE ARG A 8 24.725 37.060 13.076 1.00 28.34 N -ATOM 73 CZ ARG A 8 23.668 37.873 13.035 1.00 31.69 C -ATOM 74 NH1 ARG A 8 22.958 38.150 14.121 1.00 25.38 N -ATOM 75 NH2 ARG A 8 23.380 38.496 11.898 1.00 38.95 N -ATOM 76 N PRO A 9 28.602 31.800 13.207 1.00 14.63 N -ATOM 77 CA PRO A 9 29.392 30.923 12.328 1.00 12.85 C -ATOM 78 C PRO A 9 29.107 31.211 10.841 1.00 14.51 C -ATOM 79 O PRO A 9 28.306 30.547 10.193 1.00 16.67 O -ATOM 80 CB PRO A 9 28.942 29.520 12.752 1.00 10.72 C -ATOM 81 CG PRO A 9 27.503 29.738 13.078 1.00 11.90 C -ATOM 82 CD PRO A 9 27.475 31.070 13.821 1.00 10.21 C -ATOM 83 N VAL A 10 29.773 32.227 10.323 1.00 14.65 N -ATOM 84 CA VAL A 10 29.609 32.676 8.955 1.00 16.81 C -ATOM 85 C VAL A 10 30.826 32.366 8.075 1.00 18.64 C -ATOM 86 O VAL A 10 31.961 32.590 8.480 1.00 19.11 O -ATOM 87 CB VAL A 10 29.351 34.198 8.969 1.00 20.30 C -ATOM 88 CG1 VAL A 10 29.416 34.784 7.568 1.00 24.25 C -ATOM 89 CG2 VAL A 10 27.993 34.487 9.614 1.00 17.11 C -ATOM 90 N VAL A 11 30.587 31.831 6.883 1.00 19.40 N -ATOM 91 CA VAL A 11 31.665 31.521 5.941 1.00 17.34 C -ATOM 92 C VAL A 11 31.232 31.954 4.544 1.00 18.94 C -ATOM 93 O VAL A 11 30.069 32.343 4.317 1.00 18.21 O -ATOM 94 CB VAL A 11 32.016 29.993 5.912 1.00 20.36 C -ATOM 95 CG1 VAL A 11 32.585 29.542 7.257 1.00 21.41 C -ATOM 96 CG2 VAL A 11 30.784 29.170 5.546 1.00 14.69 C -ATOM 97 N THR A 12 32.168 31.902 3.609 1.00 17.57 N -ATOM 98 CA THR A 12 31.868 32.260 2.239 1.00 16.62 C -ATOM 99 C THR A 12 31.604 30.994 1.440 1.00 14.78 C -ATOM 100 O THR A 12 32.345 30.027 1.550 1.00 16.13 O -ATOM 101 CB THR A 12 33.025 33.043 1.630 1.00 21.41 C -ATOM 102 OG1 THR A 12 33.235 34.221 2.415 1.00 24.60 O -ATOM 103 CG2 THR A 12 32.719 33.431 0.186 1.00 24.69 C -ATOM 104 N ALA A 13 30.504 30.972 0.707 1.00 12.83 N -ATOM 105 CA ALA A 13 30.165 29.820 -0.113 1.00 17.95 C -ATOM 106 C ALA A 13 29.980 30.250 -1.576 1.00 19.12 C -ATOM 107 O ALA A 13 29.745 31.431 -1.879 1.00 16.16 O -ATOM 108 CB ALA A 13 28.887 29.125 0.423 1.00 15.59 C -ATOM 109 N TYR A 14 30.121 29.284 -2.477 1.00 19.09 N -ATOM 110 CA TYR A 14 29.948 29.532 -3.908 1.00 18.17 C -ATOM 111 C TYR A 14 28.809 28.674 -4.373 1.00 17.07 C -ATOM 112 O TYR A 14 28.872 27.457 -4.271 1.00 17.93 O -ATOM 113 CB TYR A 14 31.217 29.179 -4.676 1.00 13.69 C -ATOM 114 CG TYR A 14 32.337 30.098 -4.335 1.00 19.72 C -ATOM 115 CD1 TYR A 14 33.143 29.855 -3.227 1.00 27.28 C -ATOM 116 CD2 TYR A 14 32.555 31.261 -5.065 1.00 24.63 C -ATOM 117 CE1 TYR A 14 34.133 30.749 -2.851 1.00 31.91 C -ATOM 118 CE2 TYR A 14 33.549 32.165 -4.696 1.00 27.83 C -ATOM 119 CZ TYR A 14 34.331 31.901 -3.588 1.00 31.23 C -ATOM 120 OH TYR A 14 35.327 32.780 -3.213 1.00 44.29 O -ATOM 121 N ILE A 15 27.743 29.322 -4.814 1.00 17.42 N -ATOM 122 CA ILE A 15 26.544 28.639 -5.301 1.00 16.49 C -ATOM 123 C ILE A 15 26.513 28.884 -6.807 1.00 16.61 C -ATOM 124 O ILE A 15 26.226 29.991 -7.242 1.00 17.58 O -ATOM 125 CB ILE A 15 25.312 29.248 -4.634 1.00 15.17 C -ATOM 126 CG1 ILE A 15 25.402 29.009 -3.112 1.00 23.46 C -ATOM 127 CG2 ILE A 15 24.049 28.663 -5.214 1.00 9.83 C -ATOM 128 CD1 ILE A 15 24.447 29.849 -2.302 1.00 20.18 C -ATOM 129 N GLU A 16 26.888 27.866 -7.584 1.00 16.92 N -ATOM 130 CA GLU A 16 26.960 27.962 -9.044 1.00 16.83 C -ATOM 131 C GLU A 16 27.913 29.089 -9.420 1.00 19.38 C -ATOM 132 O GLU A 16 27.627 29.916 -10.298 1.00 21.03 O -ATOM 133 CB GLU A 16 25.588 28.222 -9.666 1.00 11.07 C -ATOM 134 CG GLU A 16 24.548 27.130 -9.435 1.00 21.10 C -ATOM 135 CD GLU A 16 24.834 25.794 -10.114 1.00 28.51 C -ATOM 136 OE1 GLU A 16 25.812 25.663 -10.878 1.00 36.11 O -ATOM 137 OE2 GLU A 16 24.049 24.848 -9.890 1.00 30.06 O -ATOM 138 N GLY A 17 29.027 29.148 -8.700 1.00 20.16 N -ATOM 139 CA GLY A 17 30.039 30.157 -8.948 1.00 22.21 C -ATOM 140 C GLY A 17 29.853 31.495 -8.231 1.00 23.07 C -ATOM 141 O GLY A 17 30.817 32.228 -8.043 1.00 24.98 O -ATOM 142 N GLN A 18 28.637 31.810 -7.805 1.00 19.71 N -ATOM 143 CA GLN A 18 28.392 33.088 -7.159 1.00 20.96 C -ATOM 144 C GLN A 18 28.767 33.050 -5.659 1.00 22.28 C -ATOM 145 O GLN A 18 28.221 32.254 -4.882 1.00 21.48 O -ATOM 146 CB GLN A 18 26.921 33.455 -7.351 1.00 26.30 C -ATOM 147 CG GLN A 18 26.311 32.995 -8.686 1.00 42.33 C -ATOM 148 CD GLN A 18 24.784 33.210 -8.773 1.00 55.39 C -ATOM 149 OE1 GLN A 18 24.307 34.330 -9.002 1.00 60.33 O -ATOM 150 NE2 GLN A 18 24.018 32.136 -8.582 1.00 56.45 N -ATOM 151 N PRO A 19 29.699 33.921 -5.232 1.00 21.36 N -ATOM 152 CA PRO A 19 30.171 34.017 -3.844 1.00 20.10 C -ATOM 153 C PRO A 19 29.081 34.587 -2.937 1.00 21.37 C -ATOM 154 O PRO A 19 28.514 35.640 -3.226 1.00 25.01 O -ATOM 155 CB PRO A 19 31.333 35.019 -3.935 1.00 21.06 C -ATOM 156 CG PRO A 19 31.596 35.186 -5.421 1.00 21.15 C -ATOM 157 CD PRO A 19 30.264 35.007 -6.047 1.00 21.25 C -ATOM 158 N VAL A 20 28.836 33.948 -1.809 1.00 18.94 N -ATOM 159 CA VAL A 20 27.821 34.426 -0.900 1.00 20.02 C -ATOM 160 C VAL A 20 28.279 34.154 0.551 1.00 19.96 C -ATOM 161 O VAL A 20 29.046 33.254 0.807 1.00 21.75 O -ATOM 162 CB VAL A 20 26.489 33.747 -1.243 1.00 24.13 C -ATOM 163 CG1 VAL A 20 26.585 32.257 -0.999 1.00 28.66 C -ATOM 164 CG2 VAL A 20 25.373 34.344 -0.481 1.00 28.90 C -ATOM 165 N GLU A 21 27.929 35.028 1.476 1.00 19.63 N -ATOM 166 CA GLU A 21 28.316 34.842 2.867 1.00 17.06 C -ATOM 167 C GLU A 21 27.109 34.169 3.485 1.00 16.33 C -ATOM 168 O GLU A 21 25.990 34.678 3.346 1.00 15.38 O -ATOM 169 CB GLU A 21 28.530 36.203 3.500 1.00 22.90 C -ATOM 170 CG GLU A 21 29.578 36.232 4.580 1.00 45.43 C -ATOM 171 CD GLU A 21 31.002 36.125 4.038 1.00 58.38 C -ATOM 172 OE1 GLU A 21 31.197 36.269 2.800 1.00 63.42 O -ATOM 173 OE2 GLU A 21 31.929 35.906 4.864 1.00 62.09 O -ATOM 174 N VAL A 22 27.310 33.001 4.087 1.00 15.04 N -ATOM 175 CA VAL A 22 26.208 32.247 4.702 1.00 15.47 C -ATOM 176 C VAL A 22 26.459 31.901 6.167 1.00 14.30 C -ATOM 177 O VAL A 22 27.609 31.718 6.583 1.00 13.28 O -ATOM 178 CB VAL A 22 25.947 30.896 3.970 1.00 13.04 C -ATOM 179 CG1 VAL A 22 25.511 31.143 2.571 1.00 13.39 C -ATOM 180 CG2 VAL A 22 27.199 30.030 3.971 1.00 14.24 C -ATOM 181 N LEU A 23 25.358 31.727 6.900 1.00 13.88 N -ATOM 182 CA LEU A 23 25.363 31.355 8.309 1.00 12.07 C -ATOM 183 C LEU A 23 25.153 29.853 8.378 1.00 10.67 C -ATOM 184 O LEU A 23 24.196 29.337 7.791 1.00 8.36 O -ATOM 185 CB LEU A 23 24.185 32.046 9.046 1.00 17.15 C -ATOM 186 CG LEU A 23 23.878 31.709 10.531 1.00 12.45 C -ATOM 187 CD1 LEU A 23 25.051 32.103 11.330 1.00 8.26 C -ATOM 188 CD2 LEU A 23 22.699 32.497 11.043 1.00 15.36 C -ATOM 189 N LEU A 24 26.024 29.145 9.095 1.00 11.57 N -ATOM 190 CA LEU A 24 25.896 27.693 9.247 1.00 10.84 C -ATOM 191 C LEU A 24 24.875 27.522 10.361 1.00 10.54 C -ATOM 192 O LEU A 24 25.178 27.708 11.525 1.00 10.52 O -ATOM 193 CB LEU A 24 27.245 27.066 9.598 1.00 8.46 C -ATOM 194 CG LEU A 24 28.312 27.452 8.560 1.00 10.20 C -ATOM 195 CD1 LEU A 24 29.689 26.943 8.982 1.00 9.77 C -ATOM 196 CD2 LEU A 24 27.905 26.934 7.195 1.00 7.47 C -ATOM 197 N ASP A 25 23.699 27.038 10.000 1.00 11.81 N -ATOM 198 CA ASP A 25 22.587 26.948 10.923 1.00 11.26 C -ATOM 199 C ASP A 25 22.021 25.553 11.259 1.00 11.70 C -ATOM 200 O ASP A 25 21.313 24.961 10.454 1.00 9.72 O -ATOM 201 CB ASP A 25 21.489 27.831 10.325 1.00 13.03 C -ATOM 202 CG ASP A 25 20.367 28.183 11.290 1.00 17.95 C -ATOM 203 OD1 ASP A 25 20.270 27.655 12.433 1.00 15.69 O -ATOM 204 OD2 ASP A 25 19.558 29.010 10.865 1.00 19.65 O -ATOM 205 N THR A 26 22.253 25.114 12.502 1.00 9.98 N -ATOM 206 CA THR A 26 21.757 23.830 12.963 1.00 11.28 C -ATOM 207 C THR A 26 20.247 23.881 13.259 1.00 13.22 C -ATOM 208 O THR A 26 19.618 22.846 13.334 1.00 14.55 O -ATOM 209 CB THR A 26 22.547 23.292 14.213 1.00 12.26 C -ATOM 210 OG1 THR A 26 22.277 24.098 15.363 1.00 12.92 O -ATOM 211 CG2 THR A 26 24.074 23.290 13.935 1.00 10.89 C -ATOM 212 N GLY A 27 19.662 25.074 13.406 1.00 13.31 N -ATOM 213 CA GLY A 27 18.230 25.181 13.672 1.00 10.54 C -ATOM 214 C GLY A 27 17.404 25.455 12.415 1.00 12.66 C -ATOM 215 O GLY A 27 16.302 26.033 12.474 1.00 11.29 O -ATOM 216 N ALA A 28 17.976 25.133 11.255 1.00 10.82 N -ATOM 217 CA ALA A 28 17.253 25.295 9.993 1.00 12.90 C -ATOM 218 C ALA A 28 17.223 23.958 9.243 1.00 13.95 C -ATOM 219 O ALA A 28 18.263 23.318 9.081 1.00 14.01 O -ATOM 220 CB ALA A 28 17.897 26.369 9.110 1.00 8.39 C -ATOM 221 N ASP A 29 16.032 23.525 8.821 1.00 15.87 N -ATOM 222 CA ASP A 29 15.906 22.285 8.038 1.00 19.37 C -ATOM 223 C ASP A 29 16.409 22.538 6.622 1.00 17.50 C -ATOM 224 O ASP A 29 17.036 21.666 6.038 1.00 18.49 O -ATOM 225 CB ASP A 29 14.451 21.811 7.919 1.00 15.77 C -ATOM 226 CG ASP A 29 13.813 21.514 9.266 1.00 22.59 C -ATOM 227 OD1 ASP A 29 14.537 21.276 10.256 1.00 21.07 O -ATOM 228 OD2 ASP A 29 12.564 21.524 9.329 1.00 22.67 O -ATOM 229 N ASP A 30 16.161 23.744 6.110 1.00 16.75 N -ATOM 230 CA ASP A 30 16.541 24.118 4.744 1.00 17.33 C -ATOM 231 C ASP A 30 17.562 25.247 4.640 1.00 16.91 C -ATOM 232 O ASP A 30 17.930 25.865 5.646 1.00 19.16 O -ATOM 233 CB ASP A 30 15.299 24.545 3.944 1.00 17.54 C -ATOM 234 CG ASP A 30 14.141 23.602 4.133 1.00 23.47 C -ATOM 235 OD1 ASP A 30 14.308 22.393 3.881 1.00 27.93 O -ATOM 236 OD2 ASP A 30 13.067 24.067 4.575 1.00 29.76 O -ATOM 237 N SER A 31 17.999 25.506 3.405 1.00 15.80 N -ATOM 238 CA SER A 31 18.960 26.558 3.094 1.00 12.47 C -ATOM 239 C SER A 31 18.232 27.601 2.269 1.00 13.11 C -ATOM 240 O SER A 31 17.473 27.265 1.353 1.00 14.00 O -ATOM 241 CB SER A 31 20.140 25.984 2.318 1.00 11.15 C -ATOM 242 OG SER A 31 20.816 25.017 3.098 1.00 13.72 O -ATOM 243 N ILE A 32 18.379 28.858 2.652 1.00 13.11 N -ATOM 244 CA ILE A 32 17.716 29.930 1.936 1.00 15.70 C -ATOM 245 C ILE A 32 18.710 31.064 1.718 1.00 19.35 C -ATOM 246 O ILE A 32 19.436 31.455 2.649 1.00 19.95 O -ATOM 247 CB ILE A 32 16.403 30.375 2.639 1.00 16.22 C -ATOM 248 CG1 ILE A 32 15.997 31.774 2.182 1.00 17.05 C -ATOM 249 CG2 ILE A 32 16.568 30.320 4.109 1.00 20.63 C -ATOM 250 CD1 ILE A 32 14.570 31.938 1.831 1.00 22.84 C -ATOM 251 N VAL A 33 18.764 31.544 0.474 1.00 17.64 N -ATOM 252 CA VAL A 33 19.692 32.570 0.064 1.00 18.41 C -ATOM 253 C VAL A 33 18.968 33.680 -0.674 1.00 20.93 C -ATOM 254 O VAL A 33 18.008 33.431 -1.395 1.00 22.55 O -ATOM 255 CB VAL A 33 20.787 31.958 -0.861 1.00 19.99 C -ATOM 256 CG1 VAL A 33 21.740 33.015 -1.351 1.00 17.25 C -ATOM 257 CG2 VAL A 33 21.573 30.872 -0.108 1.00 20.38 C -ATOM 258 N ALA A 34 19.459 34.900 -0.488 1.00 21.17 N -ATOM 259 CA ALA A 34 18.904 36.086 -1.120 1.00 20.60 C -ATOM 260 C ALA A 34 19.903 36.638 -2.123 1.00 21.51 C -ATOM 261 O ALA A 34 21.098 36.340 -2.066 1.00 24.07 O -ATOM 262 CB ALA A 34 18.621 37.143 -0.055 1.00 13.67 C -ATOM 263 N GLY A 35 19.407 37.385 -3.093 1.00 24.93 N -ATOM 264 CA GLY A 35 20.303 38.017 -4.045 1.00 26.41 C -ATOM 265 C GLY A 35 20.984 37.243 -5.150 1.00 28.66 C -ATOM 266 O GLY A 35 21.903 37.785 -5.758 1.00 30.52 O -ATOM 267 N ILE A 36 20.618 35.988 -5.400 1.00 28.03 N -ATOM 268 CA ILE A 36 21.253 35.263 -6.504 1.00 28.59 C -ATOM 269 C ILE A 36 20.226 34.773 -7.507 1.00 27.99 C -ATOM 270 O ILE A 36 19.085 34.507 -7.151 1.00 27.85 O -ATOM 271 CB ILE A 36 22.110 34.067 -6.033 1.00 33.17 C -ATOM 272 CG1 ILE A 36 21.257 33.016 -5.333 1.00 33.81 C -ATOM 273 CG2 ILE A 36 23.203 34.539 -5.090 1.00 36.66 C -ATOM 274 CD1 ILE A 36 22.015 31.752 -5.064 1.00 43.43 C -ATOM 275 N GLU A 37 20.613 34.694 -8.774 1.00 31.39 N -ATOM 276 CA GLU A 37 19.684 34.227 -9.803 1.00 30.95 C -ATOM 277 C GLU A 37 20.037 32.796 -10.159 1.00 26.97 C -ATOM 278 O GLU A 37 21.179 32.516 -10.504 1.00 30.24 O -ATOM 279 CB GLU A 37 19.764 35.111 -11.041 1.00 37.99 C -ATOM 280 CG GLU A 37 18.421 35.654 -11.511 1.00 52.35 C -ATOM 281 CD GLU A 37 17.788 36.621 -10.520 1.00 60.80 C -ATOM 282 OE1 GLU A 37 18.177 37.812 -10.533 1.00 65.64 O -ATOM 283 OE2 GLU A 37 16.899 36.192 -9.740 1.00 64.16 O -ATOM 284 N LEU A 38 19.065 31.894 -10.081 1.00 24.46 N -ATOM 285 CA LEU A 38 19.322 30.493 -10.379 1.00 23.23 C -ATOM 286 C LEU A 38 18.579 29.903 -11.571 1.00 22.86 C -ATOM 287 O LEU A 38 18.775 28.727 -11.911 1.00 21.49 O -ATOM 288 CB LEU A 38 19.135 29.614 -9.134 1.00 22.45 C -ATOM 289 CG LEU A 38 20.268 29.728 -8.098 1.00 22.31 C -ATOM 290 CD1 LEU A 38 19.902 28.965 -6.820 1.00 22.15 C -ATOM 291 CD2 LEU A 38 21.593 29.233 -8.698 1.00 9.79 C -ATOM 292 N GLY A 39 17.725 30.697 -12.205 1.00 20.13 N -ATOM 293 CA GLY A 39 17.028 30.187 -13.359 1.00 17.61 C -ATOM 294 C GLY A 39 15.570 29.831 -13.212 1.00 20.80 C -ATOM 295 O GLY A 39 14.895 30.164 -12.236 1.00 18.31 O -ATOM 296 N ASN A 40 15.112 29.039 -14.172 1.00 22.90 N -ATOM 297 CA ASN A 40 13.711 28.651 -14.263 1.00 23.35 C -ATOM 298 C ASN A 40 13.284 27.269 -13.711 1.00 20.63 C -ATOM 299 O ASN A 40 12.091 27.007 -13.589 1.00 19.45 O -ATOM 300 CB ASN A 40 13.269 28.816 -15.734 1.00 23.52 C -ATOM 301 CG ASN A 40 11.765 28.833 -15.894 1.00 24.79 C -ATOM 302 OD1 ASN A 40 11.216 28.105 -16.699 1.00 36.08 O -ATOM 303 ND2 ASN A 40 11.086 29.634 -15.093 1.00 23.10 N -ATOM 304 N ASN A 41 14.235 26.409 -13.348 1.00 17.11 N -ATOM 305 CA ASN A 41 13.894 25.103 -12.824 1.00 17.58 C -ATOM 306 C ASN A 41 13.598 25.133 -11.310 1.00 17.95 C -ATOM 307 O ASN A 41 14.326 24.559 -10.495 1.00 17.01 O -ATOM 308 CB ASN A 41 14.994 24.099 -13.164 1.00 17.12 C -ATOM 309 CG ASN A 41 14.575 22.652 -12.915 1.00 26.32 C -ATOM 310 OD1 ASN A 41 13.389 22.327 -12.743 1.00 30.02 O -ATOM 311 ND2 ASN A 41 15.554 21.773 -12.887 1.00 30.69 N -ATOM 312 N TYR A 42 12.478 25.741 -10.948 1.00 14.56 N -ATOM 313 CA TYR A 42 12.126 25.840 -9.560 1.00 16.41 C -ATOM 314 C TYR A 42 10.644 25.622 -9.380 1.00 18.38 C -ATOM 315 O TYR A 42 9.882 25.772 -10.330 1.00 17.90 O -ATOM 316 CB TYR A 42 12.480 27.249 -9.018 1.00 10.95 C -ATOM 317 CG TYR A 42 11.642 28.387 -9.595 1.00 12.70 C -ATOM 318 CD1 TYR A 42 10.356 28.676 -9.090 1.00 12.04 C -ATOM 319 CD2 TYR A 42 12.091 29.112 -10.698 1.00 15.18 C -ATOM 320 CE1 TYR A 42 9.543 29.640 -9.689 1.00 13.90 C -ATOM 321 CE2 TYR A 42 11.292 30.087 -11.305 1.00 12.41 C -ATOM 322 CZ TYR A 42 10.027 30.344 -10.802 1.00 19.74 C -ATOM 323 OH TYR A 42 9.255 31.297 -11.427 1.00 17.28 O -ATOM 324 N SER A 43 10.258 25.291 -8.147 1.00 19.66 N -ATOM 325 CA SER A 43 8.865 25.163 -7.747 1.00 21.63 C -ATOM 326 C SER A 43 8.767 26.121 -6.550 1.00 21.20 C -ATOM 327 O SER A 43 9.762 26.357 -5.868 1.00 20.58 O -ATOM 328 CB SER A 43 8.516 23.731 -7.330 1.00 21.02 C -ATOM 329 OG SER A 43 9.591 23.139 -6.643 1.00 30.11 O -ATOM 330 N PRO A 44 7.633 26.822 -6.404 1.00 21.66 N -ATOM 331 CA PRO A 44 7.414 27.761 -5.304 1.00 22.43 C -ATOM 332 C PRO A 44 7.240 26.955 -4.021 1.00 22.95 C -ATOM 333 O PRO A 44 6.638 25.883 -4.043 1.00 24.99 O -ATOM 334 CB PRO A 44 6.106 28.443 -5.712 1.00 24.63 C -ATOM 335 CG PRO A 44 5.378 27.353 -6.429 1.00 24.54 C -ATOM 336 CD PRO A 44 6.479 26.826 -7.322 1.00 20.56 C -ATOM 337 N LYS A 45 7.747 27.473 -2.912 1.00 23.90 N -ATOM 338 CA LYS A 45 7.677 26.777 -1.632 1.00 25.25 C -ATOM 339 C LYS A 45 7.423 27.798 -0.524 1.00 23.78 C -ATOM 340 O LYS A 45 7.778 28.964 -0.660 1.00 23.33 O -ATOM 341 CB LYS A 45 9.019 26.089 -1.376 1.00 29.18 C -ATOM 342 CG LYS A 45 8.933 24.775 -0.664 1.00 38.87 C -ATOM 343 CD LYS A 45 8.200 23.770 -1.524 1.00 47.05 C -ATOM 344 CE LYS A 45 8.508 22.340 -1.081 1.00 56.72 C -ATOM 345 NZ LYS A 45 8.030 21.313 -2.052 1.00 64.65 N -ATOM 346 N ILE A 46 6.787 27.365 0.557 1.00 22.57 N -ATOM 347 CA ILE A 46 6.534 28.253 1.699 1.00 26.44 C -ATOM 348 C ILE A 46 7.474 27.806 2.789 1.00 24.48 C -ATOM 349 O ILE A 46 7.640 26.613 3.002 1.00 27.97 O -ATOM 350 CB ILE A 46 5.097 28.119 2.277 1.00 32.01 C -ATOM 351 CG1 ILE A 46 4.067 28.491 1.217 1.00 38.58 C -ATOM 352 CG2 ILE A 46 4.910 29.069 3.457 1.00 26.98 C -ATOM 353 CD1 ILE A 46 4.147 29.926 0.793 1.00 37.32 C -ATOM 354 N VAL A 47 8.131 28.739 3.452 1.00 23.71 N -ATOM 355 CA VAL A 47 9.011 28.358 4.536 1.00 24.07 C -ATOM 356 C VAL A 47 8.642 29.196 5.761 1.00 21.79 C -ATOM 357 O VAL A 47 8.311 30.380 5.646 1.00 19.02 O -ATOM 358 CB VAL A 47 10.516 28.455 4.126 1.00 25.59 C -ATOM 359 CG1 VAL A 47 11.006 29.879 4.125 1.00 34.34 C -ATOM 360 CG2 VAL A 47 11.347 27.610 5.050 1.00 29.95 C -ATOM 361 N GLY A 48 8.577 28.542 6.914 1.00 22.55 N -ATOM 362 CA GLY A 48 8.211 29.238 8.137 1.00 21.39 C -ATOM 363 C GLY A 48 9.349 29.406 9.113 1.00 21.96 C -ATOM 364 O GLY A 48 10.178 28.506 9.266 1.00 23.74 O -ATOM 365 N GLY A 49 9.376 30.554 9.777 1.00 21.16 N -ATOM 366 CA GLY A 49 10.408 30.847 10.743 1.00 21.30 C -ATOM 367 C GLY A 49 9.790 31.391 12.003 1.00 22.58 C -ATOM 368 O GLY A 49 8.623 31.142 12.286 1.00 21.80 O -ATOM 369 N ILE A 50 10.537 32.206 12.738 1.00 23.79 N -ATOM 370 CA ILE A 50 10.002 32.750 13.975 1.00 24.13 C -ATOM 371 C ILE A 50 8.921 33.830 13.833 1.00 25.92 C -ATOM 372 O ILE A 50 7.975 33.856 14.620 1.00 31.08 O -ATOM 373 CB ILE A 50 11.132 33.148 14.989 1.00 21.82 C -ATOM 374 CG1 ILE A 50 10.739 32.710 16.384 1.00 20.03 C -ATOM 375 CG2 ILE A 50 11.388 34.636 15.008 1.00 15.57 C -ATOM 376 CD1 ILE A 50 11.733 33.125 17.371 1.00 31.41 C -ATOM 377 N GLY A 51 8.998 34.688 12.827 1.00 21.53 N -ATOM 378 CA GLY A 51 7.955 35.692 12.742 1.00 21.00 C -ATOM 379 C GLY A 51 6.813 35.384 11.791 1.00 23.88 C -ATOM 380 O GLY A 51 5.884 36.169 11.691 1.00 30.31 O -ATOM 381 N GLY A 52 6.850 34.235 11.128 1.00 22.60 N -ATOM 382 CA GLY A 52 5.817 33.897 10.165 1.00 22.52 C -ATOM 383 C GLY A 52 6.360 33.116 8.970 1.00 22.68 C -ATOM 384 O GLY A 52 7.419 32.503 9.054 1.00 25.13 O -ATOM 385 N PHE A 53 5.664 33.155 7.846 1.00 22.81 N -ATOM 386 CA PHE A 53 6.088 32.411 6.661 1.00 23.34 C -ATOM 387 C PHE A 53 6.522 33.323 5.548 1.00 23.50 C -ATOM 388 O PHE A 53 6.243 34.516 5.590 1.00 28.26 O -ATOM 389 CB PHE A 53 4.938 31.572 6.133 1.00 20.09 C -ATOM 390 CG PHE A 53 4.438 30.551 7.100 1.00 22.36 C -ATOM 391 CD1 PHE A 53 3.479 30.886 8.046 1.00 20.68 C -ATOM 392 CD2 PHE A 53 4.912 29.245 7.049 1.00 22.84 C -ATOM 393 CE1 PHE A 53 2.998 29.933 8.930 1.00 25.02 C -ATOM 394 CE2 PHE A 53 4.443 28.285 7.920 1.00 23.74 C -ATOM 395 CZ PHE A 53 3.484 28.624 8.868 1.00 27.29 C -ATOM 396 N ILE A 54 7.258 32.785 4.584 1.00 23.01 N -ATOM 397 CA ILE A 54 7.681 33.557 3.420 1.00 22.00 C -ATOM 398 C ILE A 54 7.711 32.631 2.222 1.00 22.83 C -ATOM 399 O ILE A 54 7.900 31.437 2.388 1.00 24.18 O -ATOM 400 CB ILE A 54 9.081 34.186 3.569 1.00 24.20 C -ATOM 401 CG1 ILE A 54 10.171 33.120 3.663 1.00 17.00 C -ATOM 402 CG2 ILE A 54 9.115 35.109 4.744 1.00 25.47 C -ATOM 403 CD1 ILE A 54 11.551 33.727 3.561 1.00 18.06 C -ATOM 404 N ASN A 55 7.491 33.185 1.029 1.00 25.80 N -ATOM 405 CA ASN A 55 7.509 32.430 -0.235 1.00 23.62 C -ATOM 406 C ASN A 55 8.939 32.362 -0.666 1.00 20.22 C -ATOM 407 O ASN A 55 9.713 33.281 -0.410 1.00 22.89 O -ATOM 408 CB ASN A 55 6.743 33.166 -1.334 1.00 26.51 C -ATOM 409 CG ASN A 55 5.308 33.384 -0.978 1.00 36.13 C -ATOM 410 OD1 ASN A 55 4.683 32.544 -0.346 1.00 42.81 O -ATOM 411 ND2 ASN A 55 4.766 34.518 -1.377 1.00 45.39 N -ATOM 412 N THR A 56 9.280 31.299 -1.356 1.00 17.06 N -ATOM 413 CA THR A 56 10.626 31.110 -1.837 1.00 17.52 C -ATOM 414 C THR A 56 10.536 30.328 -3.146 1.00 20.29 C -ATOM 415 O THR A 56 9.464 29.811 -3.526 1.00 18.75 O -ATOM 416 CB THR A 56 11.423 30.243 -0.851 1.00 20.86 C -ATOM 417 OG1 THR A 56 10.761 28.972 -0.709 1.00 18.97 O -ATOM 418 CG2 THR A 56 11.543 30.932 0.524 1.00 16.38 C -ATOM 419 N LYS A 57 11.649 30.261 -3.858 1.00 19.32 N -ATOM 420 CA LYS A 57 11.687 29.479 -5.076 1.00 18.80 C -ATOM 421 C LYS A 57 12.638 28.382 -4.701 1.00 16.97 C -ATOM 422 O LYS A 57 13.721 28.658 -4.210 1.00 20.73 O -ATOM 423 CB LYS A 57 12.214 30.307 -6.232 1.00 19.80 C -ATOM 424 CG LYS A 57 11.252 31.411 -6.652 1.00 19.30 C -ATOM 425 CD LYS A 57 11.859 32.228 -7.745 1.00 23.97 C -ATOM 426 CE LYS A 57 10.842 33.113 -8.404 1.00 38.52 C -ATOM 427 NZ LYS A 57 11.417 33.677 -9.675 1.00 50.08 N -ATOM 428 N GLU A 58 12.202 27.143 -4.837 1.00 15.68 N -ATOM 429 CA GLU A 58 13.040 26.018 -4.483 1.00 14.81 C -ATOM 430 C GLU A 58 13.742 25.372 -5.684 1.00 17.35 C -ATOM 431 O GLU A 58 13.099 24.806 -6.578 1.00 17.49 O -ATOM 432 CB GLU A 58 12.218 24.970 -3.730 1.00 15.33 C -ATOM 433 CG GLU A 58 13.019 23.719 -3.402 1.00 18.43 C -ATOM 434 CD GLU A 58 12.166 22.577 -2.904 1.00 24.57 C -ATOM 435 OE1 GLU A 58 11.230 22.152 -3.617 1.00 34.15 O -ATOM 436 OE2 GLU A 58 12.456 22.073 -1.809 1.00 31.74 O -ATOM 437 N TYR A 59 15.069 25.456 -5.680 1.00 16.28 N -ATOM 438 CA TYR A 59 15.908 24.886 -6.715 1.00 13.95 C -ATOM 439 C TYR A 59 16.556 23.617 -6.157 1.00 16.57 C -ATOM 440 O TYR A 59 17.190 23.651 -5.114 1.00 18.18 O -ATOM 441 CB TYR A 59 16.992 25.885 -7.085 1.00 7.75 C -ATOM 442 CG TYR A 59 16.468 27.135 -7.756 1.00 7.51 C -ATOM 443 CD1 TYR A 59 16.044 28.218 -7.003 1.00 5.52 C -ATOM 444 CD2 TYR A 59 16.378 27.221 -9.152 1.00 8.24 C -ATOM 445 CE1 TYR A 59 15.549 29.365 -7.611 1.00 8.08 C -ATOM 446 CE2 TYR A 59 15.887 28.355 -9.765 1.00 9.91 C -ATOM 447 CZ TYR A 59 15.473 29.421 -8.989 1.00 12.41 C -ATOM 448 OH TYR A 59 14.992 30.555 -9.597 1.00 14.43 O -ATOM 449 N LYS A 60 16.424 22.501 -6.857 1.00 16.25 N -ATOM 450 CA LYS A 60 17.019 21.275 -6.376 1.00 17.91 C -ATOM 451 C LYS A 60 18.294 20.976 -7.112 1.00 18.49 C -ATOM 452 O LYS A 60 18.491 21.463 -8.203 1.00 20.24 O -ATOM 453 CB LYS A 60 16.030 20.104 -6.504 1.00 20.47 C -ATOM 454 CG LYS A 60 14.860 20.228 -5.540 1.00 25.61 C -ATOM 455 CD LYS A 60 14.061 18.957 -5.422 1.00 27.56 C -ATOM 456 CE LYS A 60 13.254 18.971 -4.131 1.00 37.37 C -ATOM 457 NZ LYS A 60 14.167 19.024 -2.933 1.00 40.85 N -ATOM 458 N ASN A 61 19.214 20.272 -6.460 1.00 19.80 N -ATOM 459 CA ASN A 61 20.459 19.877 -7.107 1.00 25.67 C -ATOM 460 C ASN A 61 21.394 20.993 -7.552 1.00 28.46 C -ATOM 461 O ASN A 61 22.026 20.892 -8.610 1.00 30.29 O -ATOM 462 CB ASN A 61 20.178 18.974 -8.317 1.00 32.71 C -ATOM 463 CG ASN A 61 20.810 17.614 -8.168 1.00 45.62 C -ATOM 464 OD1 ASN A 61 21.977 17.408 -8.520 1.00 54.41 O -ATOM 465 ND2 ASN A 61 20.063 16.685 -7.589 1.00 51.76 N -ATOM 466 N VAL A 62 21.521 22.018 -6.719 1.00 27.06 N -ATOM 467 CA VAL A 62 22.392 23.151 -6.996 1.00 23.96 C -ATOM 468 C VAL A 62 23.824 22.827 -6.574 1.00 23.00 C -ATOM 469 O VAL A 62 24.065 22.248 -5.506 1.00 22.97 O -ATOM 470 CB VAL A 62 21.879 24.393 -6.238 1.00 22.54 C -ATOM 471 CG1 VAL A 62 22.796 25.593 -6.443 1.00 17.13 C -ATOM 472 CG2 VAL A 62 20.461 24.685 -6.680 1.00 26.69 C -ATOM 473 N GLU A 63 24.773 23.172 -7.425 1.00 22.31 N -ATOM 474 CA GLU A 63 26.165 22.920 -7.110 1.00 24.98 C -ATOM 475 C GLU A 63 26.687 23.957 -6.097 1.00 23.21 C -ATOM 476 O GLU A 63 26.682 25.153 -6.375 1.00 20.79 O -ATOM 477 CB GLU A 63 27.000 22.950 -8.376 1.00 25.79 C -ATOM 478 CG GLU A 63 28.448 22.767 -8.087 1.00 35.84 C -ATOM 479 CD GLU A 63 29.301 23.147 -9.254 1.00 46.86 C -ATOM 480 OE1 GLU A 63 29.065 22.591 -10.346 1.00 51.01 O -ATOM 481 OE2 GLU A 63 30.200 23.999 -9.074 1.00 52.48 O -ATOM 482 N ILE A 64 27.241 23.477 -4.983 1.00 23.33 N -ATOM 483 CA ILE A 64 27.718 24.348 -3.903 1.00 21.38 C -ATOM 484 C ILE A 64 29.147 24.044 -3.480 1.00 20.71 C -ATOM 485 O ILE A 64 29.499 22.886 -3.295 1.00 20.06 O -ATOM 486 CB ILE A 64 26.768 24.220 -2.654 1.00 21.90 C -ATOM 487 CG1 ILE A 64 25.363 24.682 -3.013 1.00 17.73 C -ATOM 488 CG2 ILE A 64 27.292 25.041 -1.475 1.00 19.85 C -ATOM 489 CD1 ILE A 64 24.316 23.935 -2.289 1.00 21.82 C -ATOM 490 N GLU A 65 29.963 25.086 -3.358 1.00 18.64 N -ATOM 491 CA GLU A 65 31.328 24.921 -2.923 1.00 18.41 C -ATOM 492 C GLU A 65 31.440 25.678 -1.622 1.00 17.84 C -ATOM 493 O GLU A 65 31.133 26.876 -1.573 1.00 18.44 O -ATOM 494 CB GLU A 65 32.288 25.513 -3.948 1.00 23.11 C -ATOM 495 CG GLU A 65 32.306 24.688 -5.228 1.00 42.40 C -ATOM 496 CD GLU A 65 33.181 25.300 -6.297 1.00 53.74 C -ATOM 497 OE1 GLU A 65 32.826 26.402 -6.793 1.00 58.77 O -ATOM 498 OE2 GLU A 65 34.213 24.682 -6.646 1.00 55.74 O -ATOM 499 N VAL A 66 31.761 24.987 -0.543 1.00 15.97 N -ATOM 500 CA VAL A 66 31.874 25.642 0.724 1.00 16.05 C -ATOM 501 C VAL A 66 32.859 24.830 1.571 1.00 17.27 C -ATOM 502 O VAL A 66 32.889 23.603 1.489 1.00 15.84 O -ATOM 503 CB VAL A 66 30.512 25.766 1.449 1.00 19.82 C -ATOM 504 CG1 VAL A 66 29.878 24.389 1.624 1.00 22.04 C -ATOM 505 CG2 VAL A 66 30.654 26.484 2.801 1.00 15.58 C -ATOM 506 N LEU A 67 33.731 25.536 2.303 1.00 15.27 N -ATOM 507 CA LEU A 67 34.734 24.906 3.142 1.00 17.14 C -ATOM 508 C LEU A 67 35.539 23.838 2.409 1.00 16.83 C -ATOM 509 O LEU A 67 35.778 22.789 2.939 1.00 16.18 O -ATOM 510 CB LEU A 67 34.092 24.332 4.428 1.00 15.98 C -ATOM 511 CG LEU A 67 33.691 25.412 5.456 1.00 16.19 C -ATOM 512 CD1 LEU A 67 32.700 24.918 6.494 1.00 15.67 C -ATOM 513 CD2 LEU A 67 34.932 25.945 6.133 1.00 14.97 C -ATOM 514 N ASN A 68 35.927 24.151 1.181 1.00 17.21 N -ATOM 515 CA ASN A 68 36.686 23.232 0.331 1.00 18.08 C -ATOM 516 C ASN A 68 35.959 21.965 -0.055 1.00 17.15 C -ATOM 517 O ASN A 68 36.590 21.042 -0.532 1.00 19.42 O -ATOM 518 CB ASN A 68 38.029 22.845 0.971 1.00 16.07 C -ATOM 519 CG ASN A 68 38.926 24.029 1.169 1.00 17.25 C -ATOM 520 OD1 ASN A 68 38.764 25.063 0.522 1.00 15.60 O -ATOM 521 ND2 ASN A 68 39.845 23.915 2.107 1.00 24.64 N -ATOM 522 N LYS A 69 34.659 21.904 0.191 1.00 19.01 N -ATOM 523 CA LYS A 69 33.873 20.735 -0.164 1.00 20.57 C -ATOM 524 C LYS A 69 32.916 21.136 -1.283 1.00 22.34 C -ATOM 525 O LYS A 69 32.495 22.306 -1.346 1.00 23.78 O -ATOM 526 CB LYS A 69 33.053 20.237 1.034 1.00 25.97 C -ATOM 527 CG LYS A 69 33.847 19.642 2.185 1.00 29.75 C -ATOM 528 CD LYS A 69 34.461 18.320 1.787 1.00 41.78 C -ATOM 529 CE LYS A 69 35.226 17.689 2.955 1.00 52.88 C -ATOM 530 NZ LYS A 69 34.337 17.425 4.138 1.00 58.10 N -ATOM 531 N LYS A 70 32.571 20.178 -2.151 1.00 21.45 N -ATOM 532 CA LYS A 70 31.653 20.428 -3.249 1.00 22.21 C -ATOM 533 C LYS A 70 30.463 19.507 -3.084 1.00 21.54 C -ATOM 534 O LYS A 70 30.639 18.300 -3.023 1.00 23.88 O -ATOM 535 CB LYS A 70 32.302 20.149 -4.598 1.00 29.50 C -ATOM 536 CG LYS A 70 31.334 20.357 -5.770 1.00 44.29 C -ATOM 537 CD LYS A 70 31.918 19.916 -7.112 1.00 58.78 C -ATOM 538 CE LYS A 70 33.008 20.862 -7.632 1.00 68.39 C -ATOM 539 NZ LYS A 70 33.415 20.529 -9.045 1.00 74.56 N -ATOM 540 N VAL A 71 29.259 20.070 -3.031 1.00 20.50 N -ATOM 541 CA VAL A 71 28.035 19.292 -2.861 1.00 22.15 C -ATOM 542 C VAL A 71 26.922 19.801 -3.768 1.00 21.23 C -ATOM 543 O VAL A 71 26.986 20.922 -4.269 1.00 20.82 O -ATOM 544 CB VAL A 71 27.517 19.320 -1.370 1.00 22.93 C -ATOM 545 CG1 VAL A 71 28.593 18.854 -0.423 1.00 23.31 C -ATOM 546 CG2 VAL A 71 27.085 20.703 -0.970 1.00 20.50 C -ATOM 547 N ARG A 72 25.946 18.946 -4.043 1.00 21.04 N -ATOM 548 CA ARG A 72 24.798 19.347 -4.854 1.00 25.43 C -ATOM 549 C ARG A 72 23.697 19.280 -3.808 1.00 23.51 C -ATOM 550 O ARG A 72 23.581 18.265 -3.127 1.00 24.41 O -ATOM 551 CB ARG A 72 24.501 18.333 -5.968 1.00 30.15 C -ATOM 552 CG ARG A 72 25.533 18.277 -7.051 1.00 37.73 C -ATOM 553 CD ARG A 72 24.959 18.711 -8.391 1.00 49.15 C -ATOM 554 NE ARG A 72 26.002 19.277 -9.246 1.00 57.06 N -ATOM 555 CZ ARG A 72 25.778 19.917 -10.389 1.00 62.92 C -ATOM 556 NH1 ARG A 72 24.536 20.068 -10.835 1.00 65.51 N -ATOM 557 NH2 ARG A 72 26.798 20.456 -11.058 1.00 62.44 N -ATOM 558 N ALA A 73 22.945 20.358 -3.633 1.00 21.95 N -ATOM 559 CA ALA A 73 21.889 20.359 -2.624 1.00 19.94 C -ATOM 560 C ALA A 73 20.778 21.310 -2.989 1.00 14.93 C -ATOM 561 O ALA A 73 20.923 22.107 -3.909 1.00 13.28 O -ATOM 562 CB ALA A 73 22.475 20.741 -1.256 1.00 21.21 C -ATOM 563 N THR A 74 19.637 21.159 -2.329 1.00 14.26 N -ATOM 564 CA THR A 74 18.505 22.042 -2.558 1.00 12.68 C -ATOM 565 C THR A 74 18.745 23.398 -1.897 1.00 15.26 C -ATOM 566 O THR A 74 19.163 23.499 -0.724 1.00 15.99 O -ATOM 567 CB THR A 74 17.225 21.433 -2.021 1.00 13.66 C -ATOM 568 OG1 THR A 74 16.962 20.210 -2.726 1.00 20.00 O -ATOM 569 CG2 THR A 74 16.029 22.412 -2.232 1.00 9.29 C -ATOM 570 N ILE A 75 18.481 24.449 -2.655 1.00 15.48 N -ATOM 571 CA ILE A 75 18.638 25.818 -2.198 1.00 16.57 C -ATOM 572 C ILE A 75 17.351 26.582 -2.475 1.00 16.72 C -ATOM 573 O ILE A 75 16.709 26.384 -3.507 1.00 21.22 O -ATOM 574 CB ILE A 75 19.811 26.517 -2.964 1.00 19.60 C -ATOM 575 CG1 ILE A 75 21.157 25.953 -2.487 1.00 21.27 C -ATOM 576 CG2 ILE A 75 19.775 28.040 -2.769 1.00 14.67 C -ATOM 577 CD1 ILE A 75 21.492 26.335 -1.042 1.00 27.28 C -ATOM 578 N MET A 76 16.941 27.431 -1.553 1.00 16.90 N -ATOM 579 CA MET A 76 15.757 28.231 -1.792 1.00 17.22 C -ATOM 580 C MET A 76 16.174 29.672 -1.853 1.00 20.18 C -ATOM 581 O MET A 76 17.101 30.082 -1.127 1.00 19.42 O -ATOM 582 CB MET A 76 14.764 28.068 -0.677 1.00 15.13 C -ATOM 583 CG MET A 76 14.424 26.621 -0.441 1.00 33.12 C -ATOM 584 SD MET A 76 13.040 26.427 0.602 1.00 39.97 S -ATOM 585 CE MET A 76 12.604 24.724 0.184 1.00 48.65 C -ATOM 586 N THR A 77 15.537 30.434 -2.738 1.00 18.43 N -ATOM 587 CA THR A 77 15.827 31.848 -2.838 1.00 17.26 C -ATOM 588 C THR A 77 14.607 32.601 -2.348 1.00 17.15 C -ATOM 589 O THR A 77 13.462 32.204 -2.599 1.00 17.24 O -ATOM 590 CB THR A 77 16.203 32.297 -4.255 1.00 17.37 C -ATOM 591 OG1 THR A 77 15.111 32.072 -5.157 1.00 25.23 O -ATOM 592 CG2 THR A 77 17.465 31.552 -4.743 1.00 17.38 C -ATOM 593 N GLY A 78 14.856 33.665 -1.606 1.00 16.07 N -ATOM 594 CA GLY A 78 13.776 34.448 -1.081 1.00 18.75 C -ATOM 595 C GLY A 78 14.311 35.560 -0.224 1.00 21.12 C -ATOM 596 O GLY A 78 15.511 35.672 -0.016 1.00 21.58 O -ATOM 597 N ASP A 79 13.390 36.344 0.318 1.00 25.72 N -ATOM 598 CA ASP A 79 13.698 37.504 1.122 1.00 28.69 C -ATOM 599 C ASP A 79 14.121 37.179 2.536 1.00 27.36 C -ATOM 600 O ASP A 79 13.324 37.197 3.473 1.00 28.99 O -ATOM 601 CB ASP A 79 12.501 38.449 1.133 1.00 39.42 C -ATOM 602 CG ASP A 79 12.875 39.842 1.590 1.00 54.64 C -ATOM 603 OD1 ASP A 79 13.678 40.492 0.874 1.00 60.31 O -ATOM 604 OD2 ASP A 79 12.391 40.280 2.666 1.00 67.61 O -ATOM 605 N THR A 80 15.393 36.876 2.680 1.00 24.74 N -ATOM 606 CA THR A 80 15.925 36.568 3.971 1.00 22.27 C -ATOM 607 C THR A 80 16.976 37.644 4.270 1.00 23.08 C -ATOM 608 O THR A 80 17.680 38.125 3.374 1.00 19.81 O -ATOM 609 CB THR A 80 16.511 35.137 4.007 1.00 20.88 C -ATOM 610 OG1 THR A 80 17.167 34.932 5.268 1.00 22.92 O -ATOM 611 CG2 THR A 80 17.495 34.906 2.850 1.00 19.39 C -ATOM 612 N PRO A 81 17.049 38.073 5.538 1.00 23.73 N -ATOM 613 CA PRO A 81 17.995 39.096 5.988 1.00 20.85 C -ATOM 614 C PRO A 81 19.420 38.575 6.020 1.00 20.31 C -ATOM 615 O PRO A 81 20.376 39.352 5.907 1.00 24.08 O -ATOM 616 CB PRO A 81 17.528 39.389 7.410 1.00 23.45 C -ATOM 617 CG PRO A 81 16.112 38.789 7.496 1.00 28.26 C -ATOM 618 CD PRO A 81 16.216 37.580 6.653 1.00 22.54 C -ATOM 619 N ILE A 82 19.560 37.265 6.184 1.00 17.19 N -ATOM 620 CA ILE A 82 20.860 36.613 6.291 1.00 18.52 C -ATOM 621 C ILE A 82 20.764 35.346 5.466 1.00 17.53 C -ATOM 622 O ILE A 82 19.723 34.695 5.439 1.00 19.32 O -ATOM 623 CB ILE A 82 21.128 36.186 7.812 1.00 22.78 C -ATOM 624 CG1 ILE A 82 20.958 37.374 8.740 1.00 26.73 C -ATOM 625 CG2 ILE A 82 22.568 35.693 8.044 1.00 21.52 C -ATOM 626 CD1 ILE A 82 21.188 37.017 10.162 1.00 42.09 C -ATOM 627 N ASN A 83 21.832 34.991 4.774 1.00 17.76 N -ATOM 628 CA ASN A 83 21.838 33.750 4.009 1.00 14.97 C -ATOM 629 C ASN A 83 22.105 32.595 4.948 1.00 15.70 C -ATOM 630 O ASN A 83 23.100 32.584 5.684 1.00 14.88 O -ATOM 631 CB ASN A 83 22.876 33.811 2.914 1.00 16.14 C -ATOM 632 CG ASN A 83 22.606 34.937 1.941 1.00 17.60 C -ATOM 633 OD1 ASN A 83 21.445 35.224 1.618 1.00 13.48 O -ATOM 634 ND2 ASN A 83 23.658 35.613 1.513 1.00 9.07 N -ATOM 635 N ILE A 84 21.209 31.621 4.891 1.00 16.70 N -ATOM 636 CA ILE A 84 21.217 30.429 5.727 1.00 15.19 C -ATOM 637 C ILE A 84 21.564 29.129 4.971 1.00 15.44 C -ATOM 638 O ILE A 84 20.995 28.840 3.918 1.00 19.03 O -ATOM 639 CB ILE A 84 19.781 30.181 6.320 1.00 15.30 C -ATOM 640 CG1 ILE A 84 19.265 31.382 7.132 1.00 12.48 C -ATOM 641 CG2 ILE A 84 19.752 28.942 7.172 1.00 12.58 C -ATOM 642 CD1 ILE A 84 20.130 31.723 8.269 1.00 16.52 C -ATOM 643 N PHE A 85 22.453 28.330 5.557 1.00 16.43 N -ATOM 644 CA PHE A 85 22.824 26.987 5.074 1.00 15.18 C -ATOM 645 C PHE A 85 22.369 26.077 6.247 1.00 13.31 C -ATOM 646 O PHE A 85 23.028 26.037 7.299 1.00 13.92 O -ATOM 647 CB PHE A 85 24.340 26.878 4.883 1.00 11.60 C -ATOM 648 CG PHE A 85 24.802 27.039 3.457 1.00 15.70 C -ATOM 649 CD1 PHE A 85 24.013 27.681 2.514 1.00 8.70 C -ATOM 650 CD2 PHE A 85 26.045 26.531 3.060 1.00 11.06 C -ATOM 651 CE1 PHE A 85 24.455 27.810 1.213 1.00 16.98 C -ATOM 652 CE2 PHE A 85 26.486 26.665 1.760 1.00 10.97 C -ATOM 653 CZ PHE A 85 25.691 27.303 0.836 1.00 9.90 C -ATOM 654 N GLY A 86 21.211 25.438 6.089 1.00 14.40 N -ATOM 655 CA GLY A 86 20.655 24.587 7.128 1.00 12.11 C -ATOM 656 C GLY A 86 21.196 23.164 7.120 1.00 14.26 C -ATOM 657 O GLY A 86 22.189 22.881 6.450 1.00 15.79 O -ATOM 658 N ARG A 87 20.509 22.244 7.801 1.00 12.69 N -ATOM 659 CA ARG A 87 20.960 20.861 7.910 1.00 12.38 C -ATOM 660 C ARG A 87 21.123 20.048 6.616 1.00 14.77 C -ATOM 661 O ARG A 87 21.967 19.151 6.568 1.00 15.68 O -ATOM 662 CB ARG A 87 20.096 20.103 8.910 1.00 7.39 C -ATOM 663 CG ARG A 87 20.162 20.668 10.315 1.00 12.19 C -ATOM 664 CD ARG A 87 19.387 19.825 11.342 1.00 12.45 C -ATOM 665 NE ARG A 87 17.953 19.840 11.057 1.00 11.36 N -ATOM 666 CZ ARG A 87 17.283 18.842 10.483 1.00 13.50 C -ATOM 667 NH1 ARG A 87 17.892 17.719 10.117 1.00 11.35 N -ATOM 668 NH2 ARG A 87 15.979 18.962 10.306 1.00 13.91 N -ATOM 669 N ASN A 88 20.349 20.342 5.572 1.00 14.24 N -ATOM 670 CA ASN A 88 20.491 19.586 4.337 1.00 15.73 C -ATOM 671 C ASN A 88 21.898 19.765 3.790 1.00 13.88 C -ATOM 672 O ASN A 88 22.452 18.870 3.177 1.00 13.36 O -ATOM 673 CB ASN A 88 19.448 19.993 3.285 1.00 13.45 C -ATOM 674 CG ASN A 88 19.624 21.407 2.819 1.00 16.88 C -ATOM 675 OD1 ASN A 88 19.800 22.299 3.623 1.00 15.65 O -ATOM 676 ND2 ASN A 88 19.600 21.616 1.512 1.00 16.00 N -ATOM 677 N ILE A 89 22.511 20.904 4.086 1.00 12.56 N -ATOM 678 CA ILE A 89 23.855 21.152 3.612 1.00 12.42 C -ATOM 679 C ILE A 89 24.902 20.741 4.644 1.00 13.74 C -ATOM 680 O ILE A 89 25.945 20.173 4.285 1.00 16.54 O -ATOM 681 CB ILE A 89 24.036 22.648 3.152 1.00 20.61 C -ATOM 682 CG1 ILE A 89 23.291 22.871 1.828 1.00 14.55 C -ATOM 683 CG2 ILE A 89 25.529 23.008 2.987 1.00 18.96 C -ATOM 684 CD1 ILE A 89 23.470 24.232 1.256 1.00 11.41 C -ATOM 685 N LEU A 90 24.634 21.013 5.920 1.00 12.99 N -ATOM 686 CA LEU A 90 25.564 20.639 6.990 1.00 12.41 C -ATOM 687 C LEU A 90 25.839 19.122 7.051 1.00 14.67 C -ATOM 688 O LEU A 90 26.998 18.716 7.288 1.00 15.32 O -ATOM 689 CB LEU A 90 25.068 21.136 8.349 1.00 8.82 C -ATOM 690 CG LEU A 90 24.868 22.648 8.512 1.00 12.75 C -ATOM 691 CD1 LEU A 90 24.445 22.968 9.942 1.00 10.90 C -ATOM 692 CD2 LEU A 90 26.133 23.395 8.163 1.00 9.14 C -ATOM 693 N THR A 91 24.801 18.290 6.875 1.00 13.18 N -ATOM 694 CA THR A 91 24.983 16.828 6.888 1.00 15.98 C -ATOM 695 C THR A 91 25.772 16.370 5.661 1.00 17.36 C -ATOM 696 O THR A 91 26.578 15.446 5.748 1.00 19.36 O -ATOM 697 CB THR A 91 23.659 16.041 6.890 1.00 15.88 C -ATOM 698 OG1 THR A 91 22.835 16.496 5.812 1.00 21.69 O -ATOM 699 CG2 THR A 91 22.952 16.203 8.175 1.00 12.12 C -ATOM 700 N ALA A 92 25.544 17.014 4.519 1.00 16.91 N -ATOM 701 CA ALA A 92 26.270 16.665 3.306 1.00 17.41 C -ATOM 702 C ALA A 92 27.739 16.956 3.532 1.00 16.89 C -ATOM 703 O ALA A 92 28.586 16.231 3.051 1.00 18.20 O -ATOM 704 CB ALA A 92 25.740 17.444 2.081 1.00 11.67 C -ATOM 705 N LEU A 93 28.044 17.990 4.302 1.00 17.81 N -ATOM 706 CA LEU A 93 29.437 18.336 4.558 1.00 16.87 C -ATOM 707 C LEU A 93 30.062 17.385 5.568 1.00 18.32 C -ATOM 708 O LEU A 93 31.270 17.171 5.561 1.00 20.68 O -ATOM 709 CB LEU A 93 29.564 19.779 5.066 1.00 16.90 C -ATOM 710 CG LEU A 93 28.974 20.902 4.204 1.00 22.98 C -ATOM 711 CD1 LEU A 93 29.101 22.266 4.902 1.00 15.18 C -ATOM 712 CD2 LEU A 93 29.684 20.914 2.848 1.00 23.59 C -ATOM 713 N GLY A 94 29.231 16.774 6.407 1.00 18.43 N -ATOM 714 CA GLY A 94 29.765 15.901 7.440 1.00 15.34 C -ATOM 715 C GLY A 94 30.058 16.755 8.663 1.00 19.00 C -ATOM 716 O GLY A 94 30.943 16.452 9.445 1.00 22.71 O -ATOM 717 N MET A 95 29.287 17.810 8.863 1.00 18.73 N -ATOM 718 CA MET A 95 29.505 18.684 10.001 1.00 17.95 C -ATOM 719 C MET A 95 28.646 18.242 11.198 1.00 19.00 C -ATOM 720 O MET A 95 27.550 17.703 11.026 1.00 22.51 O -ATOM 721 CB MET A 95 29.219 20.125 9.583 1.00 16.42 C -ATOM 722 CG MET A 95 29.653 21.168 10.587 1.00 29.80 C -ATOM 723 SD MET A 95 30.065 22.770 9.879 1.00 33.71 S -ATOM 724 CE MET A 95 29.408 22.608 8.337 1.00 18.24 C -ATOM 725 N SER A 96 29.164 18.378 12.408 1.00 15.30 N -ATOM 726 CA SER A 96 28.390 17.968 13.552 1.00 15.58 C -ATOM 727 C SER A 96 28.445 19.004 14.639 1.00 17.55 C -ATOM 728 O SER A 96 29.261 19.936 14.580 1.00 18.46 O -ATOM 729 CB SER A 96 28.931 16.657 14.105 1.00 18.75 C -ATOM 730 OG SER A 96 30.274 16.812 14.532 1.00 18.51 O -ATOM 731 N LEU A 97 27.540 18.874 15.607 1.00 18.34 N -ATOM 732 CA LEU A 97 27.509 19.777 16.747 1.00 19.88 C -ATOM 733 C LEU A 97 28.009 18.903 17.911 1.00 22.13 C -ATOM 734 O LEU A 97 27.454 17.842 18.175 1.00 22.10 O -ATOM 735 CB LEU A 97 26.095 20.312 16.975 1.00 23.53 C -ATOM 736 CG LEU A 97 25.820 21.384 18.031 1.00 19.17 C -ATOM 737 CD1 LEU A 97 26.546 22.676 17.718 1.00 16.66 C -ATOM 738 CD2 LEU A 97 24.334 21.613 18.040 1.00 20.21 C -ATOM 739 N ASN A 98 29.075 19.346 18.572 1.00 22.24 N -ATOM 740 CA ASN A 98 29.703 18.582 19.626 1.00 24.95 C -ATOM 741 C ASN A 98 29.644 19.185 21.009 1.00 27.12 C -ATOM 742 O ASN A 98 29.816 20.394 21.178 1.00 26.95 O -ATOM 743 CB ASN A 98 31.152 18.312 19.226 1.00 24.84 C -ATOM 744 CG ASN A 98 31.254 17.684 17.846 1.00 32.49 C -ATOM 745 OD1 ASN A 98 30.878 16.538 17.645 1.00 42.14 O -ATOM 746 ND2 ASN A 98 31.690 18.461 16.877 1.00 40.27 N -ATOM 747 N LEU A 99 29.370 18.325 21.990 1.00 30.94 N -ATOM 748 CA LEU A 99 29.295 18.705 23.398 1.00 35.08 C -ATOM 749 C LEU A 99 30.408 17.920 24.066 1.00 35.22 C -ATOM 750 O LEU A 99 31.148 18.512 24.865 1.00 39.69 O -ATOM 751 CB LEU A 99 27.951 18.282 24.021 1.00 39.08 C -ATOM 752 CG LEU A 99 27.386 19.086 25.211 1.00 40.71 C -ATOM 753 CD1 LEU A 99 26.403 18.224 25.943 1.00 40.87 C -ATOM 754 CD2 LEU A 99 28.454 19.589 26.176 1.00 40.12 C -ATOM 755 OXT LEU A 99 30.523 16.716 23.771 1.00 37.94 O -TER 756 LEU A 99 -ATOM 757 N PRO B 1 29.360 14.314 23.693 1.00 33.72 N -ATOM 758 CA PRO B 1 28.497 13.539 22.745 1.00 32.41 C -ATOM 759 C PRO B 1 28.229 14.409 21.531 1.00 29.94 C -ATOM 760 O PRO B 1 28.333 15.631 21.635 1.00 28.31 O -ATOM 761 CB PRO B 1 27.193 13.199 23.466 1.00 31.04 C -ATOM 762 CG PRO B 1 27.044 14.349 24.393 1.00 31.55 C -ATOM 763 CD PRO B 1 28.473 14.511 24.903 1.00 34.52 C -ATOM 764 N GLN B 2 27.897 13.808 20.392 1.00 25.44 N -ATOM 765 CA GLN B 2 27.644 14.639 19.226 1.00 24.35 C -ATOM 766 C GLN B 2 26.287 14.501 18.555 1.00 21.89 C -ATOM 767 O GLN B 2 25.615 13.499 18.716 1.00 23.69 O -ATOM 768 CB GLN B 2 28.767 14.491 18.194 1.00 26.75 C -ATOM 769 CG GLN B 2 28.744 13.231 17.398 1.00 36.65 C -ATOM 770 CD GLN B 2 29.844 13.193 16.353 1.00 42.25 C -ATOM 771 OE1 GLN B 2 31.023 13.420 16.663 1.00 40.48 O -ATOM 772 NE2 GLN B 2 29.472 12.862 15.113 1.00 38.73 N -ATOM 773 N PHE B 3 25.898 15.556 17.842 1.00 20.52 N -ATOM 774 CA PHE B 3 24.652 15.646 17.093 1.00 20.09 C -ATOM 775 C PHE B 3 25.101 15.638 15.631 1.00 20.39 C -ATOM 776 O PHE B 3 25.779 16.571 15.180 1.00 19.28 O -ATOM 777 CB PHE B 3 23.925 16.967 17.411 1.00 20.55 C -ATOM 778 CG PHE B 3 23.404 17.058 18.829 1.00 26.38 C -ATOM 779 CD1 PHE B 3 24.221 17.508 19.863 1.00 19.25 C -ATOM 780 CD2 PHE B 3 22.102 16.653 19.134 1.00 23.73 C -ATOM 781 CE1 PHE B 3 23.754 17.543 21.182 1.00 19.08 C -ATOM 782 CE2 PHE B 3 21.630 16.682 20.438 1.00 21.66 C -ATOM 783 CZ PHE B 3 22.457 17.124 21.466 1.00 21.72 C -ATOM 784 N SER B 4 24.724 14.598 14.897 1.00 19.42 N -ATOM 785 CA SER B 4 25.126 14.453 13.489 1.00 21.67 C -ATOM 786 C SER B 4 24.275 15.271 12.479 1.00 19.94 C -ATOM 787 O SER B 4 24.561 15.319 11.272 1.00 20.45 O -ATOM 788 CB SER B 4 25.128 12.974 13.123 1.00 17.37 C -ATOM 789 OG SER B 4 23.825 12.460 13.296 1.00 30.30 O -ATOM 790 N LEU B 5 23.208 15.880 12.993 1.00 18.91 N -ATOM 791 CA LEU B 5 22.323 16.730 12.204 1.00 16.06 C -ATOM 792 C LEU B 5 21.416 16.075 11.158 1.00 18.07 C -ATOM 793 O LEU B 5 20.719 16.777 10.433 1.00 18.67 O -ATOM 794 CB LEU B 5 23.101 17.920 11.624 1.00 13.91 C -ATOM 795 CG LEU B 5 23.992 18.678 12.630 1.00 13.01 C -ATOM 796 CD1 LEU B 5 24.718 19.798 11.946 1.00 10.79 C -ATOM 797 CD2 LEU B 5 23.171 19.207 13.787 1.00 4.07 C -ATOM 798 N TRP B 6 21.411 14.746 11.060 1.00 20.20 N -ATOM 799 CA TRP B 6 20.468 14.080 10.138 1.00 20.37 C -ATOM 800 C TRP B 6 19.042 14.370 10.645 1.00 20.68 C -ATOM 801 O TRP B 6 18.106 14.415 9.869 1.00 25.60 O -ATOM 802 CB TRP B 6 20.714 12.573 10.081 1.00 19.85 C -ATOM 803 CG TRP B 6 22.055 12.223 9.527 1.00 21.39 C -ATOM 804 CD1 TRP B 6 23.139 11.727 10.216 1.00 21.92 C -ATOM 805 CD2 TRP B 6 22.465 12.340 8.155 1.00 29.27 C -ATOM 806 NE1 TRP B 6 24.199 11.525 9.354 1.00 27.95 N -ATOM 807 CE2 TRP B 6 23.815 11.892 8.085 1.00 29.88 C -ATOM 808 CE3 TRP B 6 21.827 12.779 6.974 1.00 21.88 C -ATOM 809 CZ2 TRP B 6 24.534 11.869 6.876 1.00 21.35 C -ATOM 810 CZ3 TRP B 6 22.548 12.755 5.771 1.00 22.83 C -ATOM 811 CH2 TRP B 6 23.888 12.302 5.737 1.00 24.09 C -ATOM 812 N LYS B 7 18.899 14.597 11.950 1.00 19.76 N -ATOM 813 CA LYS B 7 17.623 14.950 12.579 1.00 20.02 C -ATOM 814 C LYS B 7 17.852 16.296 13.278 1.00 18.43 C -ATOM 815 O LYS B 7 18.994 16.628 13.600 1.00 19.61 O -ATOM 816 CB LYS B 7 17.292 13.982 13.714 1.00 24.43 C -ATOM 817 CG LYS B 7 17.171 12.538 13.378 1.00 39.71 C -ATOM 818 CD LYS B 7 17.213 11.734 14.686 1.00 51.26 C -ATOM 819 CE LYS B 7 16.900 10.256 14.440 1.00 60.81 C -ATOM 820 NZ LYS B 7 15.533 10.062 13.831 1.00 63.97 N -ATOM 821 N ARG B 8 16.779 17.022 13.589 1.00 15.76 N -ATOM 822 CA ARG B 8 16.897 18.275 14.329 1.00 11.19 C -ATOM 823 C ARG B 8 17.594 17.968 15.674 1.00 12.95 C -ATOM 824 O ARG B 8 17.244 16.982 16.336 1.00 11.07 O -ATOM 825 CB ARG B 8 15.519 18.833 14.642 1.00 10.49 C -ATOM 826 CG ARG B 8 14.773 19.346 13.441 1.00 16.57 C -ATOM 827 CD ARG B 8 13.506 20.054 13.839 1.00 14.54 C -ATOM 828 NE ARG B 8 12.820 20.625 12.684 1.00 20.44 N -ATOM 829 CZ ARG B 8 11.599 21.153 12.706 1.00 24.77 C -ATOM 830 NH1 ARG B 8 10.900 21.178 13.830 1.00 22.23 N -ATOM 831 NH2 ARG B 8 11.109 21.748 11.623 1.00 22.51 N -ATOM 832 N PRO B 9 18.626 18.759 16.058 1.00 10.20 N -ATOM 833 CA PRO B 9 19.332 18.527 17.320 1.00 11.84 C -ATOM 834 C PRO B 9 18.473 18.994 18.522 1.00 16.71 C -ATOM 835 O PRO B 9 18.575 20.144 19.001 1.00 15.02 O -ATOM 836 CB PRO B 9 20.624 19.330 17.145 1.00 11.63 C -ATOM 837 CG PRO B 9 20.199 20.491 16.304 1.00 6.25 C -ATOM 838 CD PRO B 9 19.252 19.859 15.290 1.00 7.23 C -ATOM 839 N VAL B 10 17.561 18.109 18.928 1.00 16.47 N -ATOM 840 CA VAL B 10 16.637 18.388 20.016 1.00 18.51 C -ATOM 841 C VAL B 10 16.992 17.628 21.291 1.00 21.56 C -ATOM 842 O VAL B 10 17.368 16.458 21.227 1.00 26.24 O -ATOM 843 CB VAL B 10 15.196 18.033 19.628 1.00 15.52 C -ATOM 844 CG1 VAL B 10 14.292 18.195 20.830 1.00 22.62 C -ATOM 845 CG2 VAL B 10 14.706 18.929 18.537 1.00 7.12 C -ATOM 846 N VAL B 11 16.876 18.296 22.432 1.00 20.46 N -ATOM 847 CA VAL B 11 17.162 17.690 23.729 1.00 19.91 C -ATOM 848 C VAL B 11 16.113 18.154 24.736 1.00 18.13 C -ATOM 849 O VAL B 11 15.320 19.046 24.461 1.00 18.63 O -ATOM 850 CB VAL B 11 18.598 18.074 24.290 1.00 21.10 C -ATOM 851 CG1 VAL B 11 19.685 17.547 23.406 1.00 23.75 C -ATOM 852 CG2 VAL B 11 18.759 19.592 24.435 1.00 23.49 C -ATOM 853 N THR B 12 16.083 17.500 25.879 1.00 19.70 N -ATOM 854 CA THR B 12 15.188 17.877 26.942 1.00 22.82 C -ATOM 855 C THR B 12 15.999 18.709 27.902 1.00 23.16 C -ATOM 856 O THR B 12 16.978 18.228 28.435 1.00 26.29 O -ATOM 857 CB THR B 12 14.699 16.661 27.689 1.00 26.79 C -ATOM 858 OG1 THR B 12 13.842 15.905 26.822 1.00 31.79 O -ATOM 859 CG2 THR B 12 13.954 17.067 28.983 1.00 31.25 C -ATOM 860 N ALA B 13 15.632 19.967 28.101 1.00 24.02 N -ATOM 861 CA ALA B 13 16.367 20.827 29.033 1.00 25.54 C -ATOM 862 C ALA B 13 15.489 21.138 30.236 1.00 23.62 C -ATOM 863 O ALA B 13 14.268 21.110 30.132 1.00 24.25 O -ATOM 864 CB ALA B 13 16.794 22.127 28.334 1.00 19.87 C -ATOM 865 N TYR B 14 16.098 21.350 31.397 1.00 24.35 N -ATOM 866 CA TYR B 14 15.317 21.722 32.577 1.00 24.37 C -ATOM 867 C TYR B 14 15.598 23.197 32.829 1.00 22.42 C -ATOM 868 O TYR B 14 16.753 23.599 32.984 1.00 25.04 O -ATOM 869 CB TYR B 14 15.704 20.884 33.795 1.00 26.61 C -ATOM 870 CG TYR B 14 15.478 19.424 33.552 1.00 31.72 C -ATOM 871 CD1 TYR B 14 16.431 18.673 32.865 1.00 34.12 C -ATOM 872 CD2 TYR B 14 14.259 18.827 33.870 1.00 33.98 C -ATOM 873 CE1 TYR B 14 16.178 17.377 32.479 1.00 38.50 C -ATOM 874 CE2 TYR B 14 13.987 17.524 33.497 1.00 38.41 C -ATOM 875 CZ TYR B 14 14.953 16.800 32.790 1.00 43.80 C -ATOM 876 OH TYR B 14 14.700 15.510 32.358 1.00 50.57 O -ATOM 877 N ILE B 15 14.558 24.007 32.773 1.00 17.26 N -ATOM 878 CA ILE B 15 14.688 25.426 32.995 1.00 19.90 C -ATOM 879 C ILE B 15 14.023 25.724 34.323 1.00 22.65 C -ATOM 880 O ILE B 15 12.809 25.597 34.450 1.00 22.82 O -ATOM 881 CB ILE B 15 14.028 26.179 31.849 1.00 19.43 C -ATOM 882 CG1 ILE B 15 14.794 25.848 30.558 1.00 19.78 C -ATOM 883 CG2 ILE B 15 13.990 27.645 32.144 1.00 17.70 C -ATOM 884 CD1 ILE B 15 14.217 26.428 29.357 1.00 25.21 C -ATOM 885 N GLU B 16 14.842 26.055 35.325 1.00 25.52 N -ATOM 886 CA GLU B 16 14.378 26.323 36.686 1.00 24.97 C -ATOM 887 C GLU B 16 13.557 25.121 37.117 1.00 25.44 C -ATOM 888 O GLU B 16 12.432 25.261 37.596 1.00 26.54 O -ATOM 889 CB GLU B 16 13.534 27.603 36.746 1.00 25.41 C -ATOM 890 CG GLU B 16 14.332 28.899 36.546 1.00 24.63 C -ATOM 891 CD GLU B 16 15.365 29.132 37.636 1.00 28.49 C -ATOM 892 OE1 GLU B 16 15.231 28.550 38.727 1.00 36.59 O -ATOM 893 OE2 GLU B 16 16.315 29.907 37.425 1.00 33.93 O -ATOM 894 N GLY B 17 14.051 23.943 36.766 1.00 23.79 N -ATOM 895 CA GLY B 17 13.367 22.718 37.134 1.00 28.71 C -ATOM 896 C GLY B 17 12.313 22.097 36.223 1.00 29.81 C -ATOM 897 O GLY B 17 11.971 20.935 36.422 1.00 31.96 O -ATOM 898 N GLN B 18 11.764 22.864 35.280 1.00 31.05 N -ATOM 899 CA GLN B 18 10.752 22.375 34.333 1.00 31.31 C -ATOM 900 C GLN B 18 11.384 21.740 33.078 1.00 28.77 C -ATOM 901 O GLN B 18 12.260 22.340 32.475 1.00 26.30 O -ATOM 902 CB GLN B 18 9.890 23.550 33.858 1.00 36.82 C -ATOM 903 CG GLN B 18 8.799 24.003 34.805 1.00 52.93 C -ATOM 904 CD GLN B 18 7.814 24.945 34.118 1.00 61.71 C -ATOM 905 OE1 GLN B 18 6.693 24.554 33.775 1.00 68.59 O -ATOM 906 NE2 GLN B 18 8.224 26.189 33.923 1.00 59.57 N -ATOM 907 N PRO B 19 10.971 20.517 32.692 1.00 28.40 N -ATOM 908 CA PRO B 19 11.527 19.867 31.495 1.00 28.16 C -ATOM 909 C PRO B 19 10.881 20.484 30.260 1.00 27.39 C -ATOM 910 O PRO B 19 9.683 20.720 30.245 1.00 27.46 O -ATOM 911 CB PRO B 19 11.091 18.410 31.664 1.00 31.36 C -ATOM 912 CG PRO B 19 9.760 18.537 32.338 1.00 29.97 C -ATOM 913 CD PRO B 19 10.074 19.590 33.404 1.00 32.61 C -ATOM 914 N VAL B 20 11.677 20.773 29.236 1.00 30.03 N -ATOM 915 CA VAL B 20 11.178 21.387 28.000 1.00 28.04 C -ATOM 916 C VAL B 20 12.040 20.867 26.833 1.00 26.11 C -ATOM 917 O VAL B 20 13.233 20.596 27.014 1.00 23.55 O -ATOM 918 CB VAL B 20 11.241 22.953 28.118 1.00 25.44 C -ATOM 919 CG1 VAL B 20 12.652 23.420 28.226 1.00 32.80 C -ATOM 920 CG2 VAL B 20 10.598 23.611 26.955 1.00 29.23 C -ATOM 921 N GLU B 21 11.437 20.624 25.672 1.00 25.16 N -ATOM 922 CA GLU B 21 12.230 20.156 24.533 1.00 24.27 C -ATOM 923 C GLU B 21 12.714 21.429 23.861 1.00 23.22 C -ATOM 924 O GLU B 21 11.936 22.382 23.680 1.00 22.50 O -ATOM 925 CB GLU B 21 11.412 19.331 23.536 1.00 28.76 C -ATOM 926 CG GLU B 21 10.631 18.167 24.137 1.00 48.98 C -ATOM 927 CD GLU B 21 11.497 17.223 24.946 1.00 59.46 C -ATOM 928 OE1 GLU B 21 12.649 16.977 24.523 1.00 66.86 O -ATOM 929 OE2 GLU B 21 11.027 16.733 26.003 1.00 60.78 O -ATOM 930 N VAL B 22 14.005 21.477 23.559 1.00 18.75 N -ATOM 931 CA VAL B 22 14.585 22.646 22.918 1.00 17.33 C -ATOM 932 C VAL B 22 15.449 22.238 21.715 1.00 17.74 C -ATOM 933 O VAL B 22 16.089 21.176 21.721 1.00 17.69 O -ATOM 934 CB VAL B 22 15.460 23.504 23.929 1.00 14.93 C -ATOM 935 CG1 VAL B 22 14.623 23.960 25.103 1.00 13.83 C -ATOM 936 CG2 VAL B 22 16.681 22.720 24.419 1.00 11.97 C -ATOM 937 N LEU B 23 15.479 23.112 20.715 1.00 15.46 N -ATOM 938 CA LEU B 23 16.258 22.934 19.505 1.00 13.31 C -ATOM 939 C LEU B 23 17.616 23.653 19.685 1.00 13.55 C -ATOM 940 O LEU B 23 17.630 24.844 19.993 1.00 13.77 O -ATOM 941 CB LEU B 23 15.482 23.580 18.341 1.00 13.41 C -ATOM 942 CG LEU B 23 16.135 23.739 16.957 1.00 11.57 C -ATOM 943 CD1 LEU B 23 16.550 22.384 16.422 1.00 8.70 C -ATOM 944 CD2 LEU B 23 15.180 24.411 16.002 1.00 9.18 C -ATOM 945 N LEU B 24 18.739 22.941 19.535 1.00 14.86 N -ATOM 946 CA LEU B 24 20.094 23.548 19.640 1.00 14.04 C -ATOM 947 C LEU B 24 20.325 24.323 18.325 1.00 14.69 C -ATOM 948 O LEU B 24 20.438 23.749 17.227 1.00 14.88 O -ATOM 949 CB LEU B 24 21.148 22.471 19.882 1.00 13.61 C -ATOM 950 CG LEU B 24 20.851 21.620 21.132 1.00 20.52 C -ATOM 951 CD1 LEU B 24 22.013 20.689 21.405 1.00 21.06 C -ATOM 952 CD2 LEU B 24 20.610 22.512 22.373 1.00 10.74 C -ATOM 953 N ASP B 25 20.461 25.632 18.451 1.00 11.65 N -ATOM 954 CA ASP B 25 20.492 26.453 17.272 1.00 11.50 C -ATOM 955 C ASP B 25 21.639 27.445 17.096 1.00 13.28 C -ATOM 956 O ASP B 25 21.599 28.580 17.620 1.00 15.31 O -ATOM 957 CB ASP B 25 19.133 27.157 17.294 1.00 14.48 C -ATOM 958 CG ASP B 25 18.860 27.991 16.078 1.00 18.62 C -ATOM 959 OD1 ASP B 25 19.684 28.052 15.156 1.00 25.46 O -ATOM 960 OD2 ASP B 25 17.787 28.613 16.067 1.00 20.90 O -ATOM 961 N THR B 26 22.606 27.062 16.266 1.00 11.47 N -ATOM 962 CA THR B 26 23.757 27.918 15.953 1.00 10.03 C -ATOM 963 C THR B 26 23.365 29.155 15.120 1.00 11.97 C -ATOM 964 O THR B 26 24.142 30.126 15.033 1.00 11.23 O -ATOM 965 CB THR B 26 24.848 27.134 15.195 1.00 18.81 C -ATOM 966 OG1 THR B 26 24.326 26.645 13.935 1.00 12.27 O -ATOM 967 CG2 THR B 26 25.352 25.968 16.073 1.00 8.41 C -ATOM 968 N GLY B 27 22.170 29.134 14.519 1.00 10.28 N -ATOM 969 CA GLY B 27 21.717 30.272 13.725 1.00 8.95 C -ATOM 970 C GLY B 27 20.953 31.257 14.580 1.00 12.36 C -ATOM 971 O GLY B 27 20.397 32.227 14.058 1.00 11.49 O -ATOM 972 N ALA B 28 20.929 31.021 15.893 1.00 11.71 N -ATOM 973 CA ALA B 28 20.210 31.911 16.796 1.00 11.28 C -ATOM 974 C ALA B 28 21.138 32.659 17.755 1.00 13.24 C -ATOM 975 O ALA B 28 22.024 32.061 18.369 1.00 13.25 O -ATOM 976 CB ALA B 28 19.178 31.114 17.583 1.00 11.32 C -ATOM 977 N ASP B 29 20.951 33.965 17.892 1.00 13.35 N -ATOM 978 CA ASP B 29 21.803 34.724 18.812 1.00 15.34 C -ATOM 979 C ASP B 29 21.342 34.542 20.252 1.00 15.36 C -ATOM 980 O ASP B 29 22.158 34.451 21.170 1.00 16.72 O -ATOM 981 CB ASP B 29 21.756 36.213 18.490 1.00 13.72 C -ATOM 982 CG ASP B 29 22.320 36.553 17.114 1.00 16.23 C -ATOM 983 OD1 ASP B 29 23.169 35.818 16.559 1.00 19.93 O -ATOM 984 OD2 ASP B 29 21.931 37.609 16.603 1.00 20.89 O -ATOM 985 N ASP B 30 20.022 34.463 20.422 1.00 14.94 N -ATOM 986 CA ASP B 30 19.353 34.345 21.731 1.00 15.54 C -ATOM 987 C ASP B 30 18.607 33.030 21.863 1.00 13.81 C -ATOM 988 O ASP B 30 18.435 32.300 20.893 1.00 11.76 O -ATOM 989 CB ASP B 30 18.299 35.458 21.872 1.00 19.84 C -ATOM 990 CG ASP B 30 18.845 36.817 21.519 1.00 25.03 C -ATOM 991 OD1 ASP B 30 19.840 37.237 22.143 1.00 31.63 O -ATOM 992 OD2 ASP B 30 18.304 37.444 20.596 1.00 26.71 O -ATOM 993 N SER B 31 18.072 32.822 23.048 1.00 11.02 N -ATOM 994 CA SER B 31 17.314 31.637 23.381 1.00 13.74 C -ATOM 995 C SER B 31 15.867 32.077 23.663 1.00 14.01 C -ATOM 996 O SER B 31 15.621 33.057 24.354 1.00 15.45 O -ATOM 997 CB SER B 31 17.953 30.952 24.603 1.00 10.74 C -ATOM 998 OG SER B 31 19.320 30.681 24.342 1.00 11.82 O -ATOM 999 N ILE B 32 14.912 31.372 23.092 1.00 14.26 N -ATOM 1000 CA ILE B 32 13.526 31.737 23.263 1.00 16.30 C -ATOM 1001 C ILE B 32 12.731 30.477 23.564 1.00 16.08 C -ATOM 1002 O ILE B 32 12.744 29.530 22.793 1.00 18.33 O -ATOM 1003 CB ILE B 32 12.988 32.418 21.990 1.00 19.09 C -ATOM 1004 CG1 ILE B 32 13.962 33.505 21.559 1.00 22.35 C -ATOM 1005 CG2 ILE B 32 11.593 33.025 22.234 1.00 9.81 C -ATOM 1006 CD1 ILE B 32 13.506 34.257 20.357 1.00 30.18 C -ATOM 1007 N VAL B 33 12.010 30.511 24.679 1.00 17.94 N -ATOM 1008 CA VAL B 33 11.204 29.405 25.162 1.00 18.84 C -ATOM 1009 C VAL B 33 9.755 29.868 25.346 1.00 20.94 C -ATOM 1010 O VAL B 33 9.487 31.051 25.581 1.00 23.75 O -ATOM 1011 CB VAL B 33 11.814 28.871 26.499 1.00 19.43 C -ATOM 1012 CG1 VAL B 33 10.953 27.826 27.116 1.00 26.07 C -ATOM 1013 CG2 VAL B 33 13.151 28.235 26.211 1.00 23.40 C -ATOM 1014 N ALA B 34 8.806 28.969 25.158 1.00 20.80 N -ATOM 1015 CA ALA B 34 7.418 29.337 25.339 1.00 20.37 C -ATOM 1016 C ALA B 34 6.889 28.550 26.513 1.00 22.87 C -ATOM 1017 O ALA B 34 7.445 27.516 26.867 1.00 22.79 O -ATOM 1018 CB ALA B 34 6.638 29.012 24.093 1.00 14.68 C -ATOM 1019 N GLY B 35 5.852 29.068 27.160 1.00 26.27 N -ATOM 1020 CA GLY B 35 5.231 28.351 28.271 1.00 29.28 C -ATOM 1021 C GLY B 35 5.941 28.187 29.602 1.00 30.61 C -ATOM 1022 O GLY B 35 5.793 27.162 30.272 1.00 32.53 O -ATOM 1023 N ILE B 36 6.687 29.200 30.002 1.00 30.13 N -ATOM 1024 CA ILE B 36 7.419 29.176 31.259 1.00 31.35 C -ATOM 1025 C ILE B 36 7.057 30.527 31.851 1.00 30.44 C -ATOM 1026 O ILE B 36 7.136 31.545 31.160 1.00 30.92 O -ATOM 1027 CB ILE B 36 8.958 29.105 31.003 1.00 34.95 C -ATOM 1028 CG1 ILE B 36 9.299 27.841 30.221 1.00 41.84 C -ATOM 1029 CG2 ILE B 36 9.725 29.048 32.312 1.00 34.53 C -ATOM 1030 CD1 ILE B 36 8.957 26.549 30.932 1.00 45.07 C -ATOM 1031 N GLU B 37 6.593 30.550 33.089 1.00 29.13 N -ATOM 1032 CA GLU B 37 6.225 31.813 33.703 1.00 26.83 C -ATOM 1033 C GLU B 37 7.289 32.117 34.707 1.00 24.81 C -ATOM 1034 O GLU B 37 7.341 31.489 35.746 1.00 25.39 O -ATOM 1035 CB GLU B 37 4.869 31.690 34.362 1.00 30.91 C -ATOM 1036 CG GLU B 37 3.736 31.556 33.363 1.00 37.81 C -ATOM 1037 CD GLU B 37 2.384 31.501 34.035 1.00 51.59 C -ATOM 1038 OE1 GLU B 37 2.287 30.922 35.153 1.00 53.28 O -ATOM 1039 OE2 GLU B 37 1.417 32.039 33.442 1.00 57.66 O -ATOM 1040 N LEU B 38 8.157 33.070 34.385 1.00 23.61 N -ATOM 1041 CA LEU B 38 9.267 33.405 35.273 1.00 18.01 C -ATOM 1042 C LEU B 38 9.095 34.685 36.105 1.00 17.13 C -ATOM 1043 O LEU B 38 10.030 35.098 36.791 1.00 14.22 O -ATOM 1044 CB LEU B 38 10.583 33.453 34.469 1.00 17.38 C -ATOM 1045 CG LEU B 38 11.059 32.159 33.806 1.00 20.23 C -ATOM 1046 CD1 LEU B 38 12.131 32.462 32.786 1.00 17.45 C -ATOM 1047 CD2 LEU B 38 11.592 31.163 34.855 1.00 16.62 C -ATOM 1048 N GLY B 39 7.915 35.298 36.066 1.00 13.94 N -ATOM 1049 CA GLY B 39 7.731 36.494 36.851 1.00 15.82 C -ATOM 1050 C GLY B 39 7.824 37.802 36.063 1.00 16.18 C -ATOM 1051 O GLY B 39 8.026 37.809 34.852 1.00 14.91 O -ATOM 1052 N ASN B 40 7.749 38.921 36.772 1.00 14.65 N -ATOM 1053 CA ASN B 40 7.746 40.196 36.098 1.00 15.68 C -ATOM 1054 C ASN B 40 9.068 40.953 36.036 1.00 15.89 C -ATOM 1055 O ASN B 40 9.087 42.092 35.580 1.00 16.29 O -ATOM 1056 CB ASN B 40 6.617 41.089 36.637 1.00 13.60 C -ATOM 1057 CG ASN B 40 6.843 41.519 38.089 1.00 24.59 C -ATOM 1058 OD1 ASN B 40 7.960 41.468 38.617 1.00 24.78 O -ATOM 1059 ND2 ASN B 40 5.771 41.932 38.743 1.00 27.96 N -ATOM 1060 N ASN B 41 10.174 40.330 36.429 1.00 14.87 N -ATOM 1061 CA ASN B 41 11.439 41.040 36.345 1.00 14.16 C -ATOM 1062 C ASN B 41 12.147 40.700 35.048 1.00 13.68 C -ATOM 1063 O ASN B 41 13.145 39.995 35.045 1.00 14.62 O -ATOM 1064 CB ASN B 41 12.361 40.715 37.526 1.00 17.27 C -ATOM 1065 CG ASN B 41 13.617 41.597 37.555 1.00 23.02 C -ATOM 1066 OD1 ASN B 41 14.626 41.252 38.163 1.00 29.21 O -ATOM 1067 ND2 ASN B 41 13.538 42.753 36.939 1.00 21.99 N -ATOM 1068 N TYR B 42 11.706 41.287 33.953 1.00 14.17 N -ATOM 1069 CA TYR B 42 12.303 41.007 32.649 1.00 14.22 C -ATOM 1070 C TYR B 42 12.481 42.289 31.895 1.00 13.60 C -ATOM 1071 O TYR B 42 11.955 43.321 32.286 1.00 13.45 O -ATOM 1072 CB TYR B 42 11.356 40.122 31.838 1.00 7.84 C -ATOM 1073 CG TYR B 42 9.989 40.742 31.617 1.00 11.58 C -ATOM 1074 CD1 TYR B 42 9.757 41.602 30.529 1.00 16.87 C -ATOM 1075 CD2 TYR B 42 8.932 40.491 32.496 1.00 11.47 C -ATOM 1076 CE1 TYR B 42 8.508 42.197 30.323 1.00 13.84 C -ATOM 1077 CE2 TYR B 42 7.684 41.075 32.306 1.00 13.15 C -ATOM 1078 CZ TYR B 42 7.475 41.930 31.216 1.00 19.94 C -ATOM 1079 OH TYR B 42 6.233 42.519 31.024 1.00 18.22 O -ATOM 1080 N SER B 43 13.174 42.220 30.773 1.00 15.69 N -ATOM 1081 CA SER B 43 13.308 43.413 29.964 1.00 17.58 C -ATOM 1082 C SER B 43 12.575 43.101 28.673 1.00 17.61 C -ATOM 1083 O SER B 43 12.743 42.014 28.098 1.00 17.05 O -ATOM 1084 CB SER B 43 14.771 43.745 29.647 1.00 24.31 C -ATOM 1085 OG SER B 43 15.571 43.825 30.815 1.00 35.66 O -ATOM 1086 N PRO B 44 11.718 44.017 28.224 1.00 16.37 N -ATOM 1087 CA PRO B 44 10.973 43.808 26.978 1.00 16.28 C -ATOM 1088 C PRO B 44 11.969 43.885 25.805 1.00 19.05 C -ATOM 1089 O PRO B 44 12.860 44.728 25.808 1.00 18.90 O -ATOM 1090 CB PRO B 44 10.010 44.988 26.970 1.00 16.56 C -ATOM 1091 CG PRO B 44 9.876 45.353 28.465 1.00 19.32 C -ATOM 1092 CD PRO B 44 11.286 45.240 28.917 1.00 11.73 C -ATOM 1093 N LYS B 45 11.872 42.966 24.852 1.00 20.45 N -ATOM 1094 CA LYS B 45 12.774 42.963 23.701 1.00 19.53 C -ATOM 1095 C LYS B 45 11.954 42.607 22.483 1.00 20.66 C -ATOM 1096 O LYS B 45 10.803 42.199 22.588 1.00 19.37 O -ATOM 1097 CB LYS B 45 13.845 41.870 23.845 1.00 17.37 C -ATOM 1098 CG LYS B 45 14.830 42.056 24.960 1.00 23.67 C -ATOM 1099 CD LYS B 45 15.802 43.160 24.630 1.00 33.13 C -ATOM 1100 CE LYS B 45 17.140 42.956 25.334 1.00 38.61 C -ATOM 1101 NZ LYS B 45 17.036 43.287 26.771 1.00 50.57 N -ATOM 1102 N ILE B 46 12.569 42.745 21.323 1.00 21.68 N -ATOM 1103 CA ILE B 46 11.950 42.362 20.072 1.00 22.80 C -ATOM 1104 C ILE B 46 13.007 41.497 19.399 1.00 24.49 C -ATOM 1105 O ILE B 46 14.199 41.774 19.493 1.00 27.08 O -ATOM 1106 CB ILE B 46 11.575 43.586 19.222 1.00 25.64 C -ATOM 1107 CG1 ILE B 46 10.271 44.176 19.764 1.00 29.09 C -ATOM 1108 CG2 ILE B 46 11.384 43.190 17.766 1.00 28.89 C -ATOM 1109 CD1 ILE B 46 9.775 45.375 19.023 1.00 38.96 C -ATOM 1110 N VAL B 47 12.595 40.377 18.836 1.00 24.86 N -ATOM 1111 CA VAL B 47 13.543 39.517 18.169 1.00 22.69 C -ATOM 1112 C VAL B 47 12.997 39.271 16.772 1.00 22.91 C -ATOM 1113 O VAL B 47 11.786 39.165 16.585 1.00 21.61 O -ATOM 1114 CB VAL B 47 13.742 38.189 18.963 1.00 26.54 C -ATOM 1115 CG1 VAL B 47 14.534 37.175 18.144 1.00 26.43 C -ATOM 1116 CG2 VAL B 47 14.504 38.487 20.269 1.00 27.91 C -ATOM 1117 N GLY B 48 13.888 39.295 15.784 1.00 22.08 N -ATOM 1118 CA GLY B 48 13.482 39.050 14.416 1.00 19.71 C -ATOM 1119 C GLY B 48 14.097 37.779 13.866 1.00 20.92 C -ATOM 1120 O GLY B 48 15.144 37.316 14.333 1.00 18.03 O -ATOM 1121 N GLY B 49 13.371 37.158 12.947 1.00 20.00 N -ATOM 1122 CA GLY B 49 13.842 35.957 12.283 1.00 21.11 C -ATOM 1123 C GLY B 49 13.273 35.975 10.870 1.00 20.15 C -ATOM 1124 O GLY B 49 13.052 37.030 10.283 1.00 18.14 O -ATOM 1125 N ILE B 50 13.061 34.804 10.309 1.00 21.70 N -ATOM 1126 CA ILE B 50 12.465 34.674 8.981 1.00 25.14 C -ATOM 1127 C ILE B 50 11.015 35.093 9.243 1.00 26.53 C -ATOM 1128 O ILE B 50 10.499 34.866 10.346 1.00 30.90 O -ATOM 1129 CB ILE B 50 12.516 33.166 8.541 1.00 22.91 C -ATOM 1130 CG1 ILE B 50 13.894 32.812 7.989 1.00 23.32 C -ATOM 1131 CG2 ILE B 50 11.359 32.789 7.638 1.00 27.59 C -ATOM 1132 CD1 ILE B 50 14.293 33.539 6.771 1.00 14.77 C -ATOM 1133 N GLY B 51 10.394 35.794 8.309 1.00 25.84 N -ATOM 1134 CA GLY B 51 9.005 36.174 8.500 1.00 23.63 C -ATOM 1135 C GLY B 51 8.687 37.394 9.336 1.00 23.26 C -ATOM 1136 O GLY B 51 7.558 37.841 9.319 1.00 25.67 O -ATOM 1137 N GLY B 52 9.635 37.926 10.094 1.00 25.23 N -ATOM 1138 CA GLY B 52 9.323 39.100 10.903 1.00 25.46 C -ATOM 1139 C GLY B 52 9.861 39.145 12.330 1.00 26.22 C -ATOM 1140 O GLY B 52 10.829 38.464 12.671 1.00 27.43 O -ATOM 1141 N PHE B 53 9.159 39.887 13.182 1.00 27.19 N -ATOM 1142 CA PHE B 53 9.540 40.113 14.581 1.00 25.69 C -ATOM 1143 C PHE B 53 8.514 39.654 15.600 1.00 24.96 C -ATOM 1144 O PHE B 53 7.331 39.568 15.297 1.00 26.87 O -ATOM 1145 CB PHE B 53 9.792 41.620 14.818 1.00 28.28 C -ATOM 1146 CG PHE B 53 10.998 42.151 14.096 1.00 31.16 C -ATOM 1147 CD1 PHE B 53 10.917 42.507 12.745 1.00 35.41 C -ATOM 1148 CD2 PHE B 53 12.229 42.218 14.736 1.00 28.50 C -ATOM 1149 CE1 PHE B 53 12.051 42.907 12.046 1.00 34.96 C -ATOM 1150 CE2 PHE B 53 13.371 42.617 14.051 1.00 31.38 C -ATOM 1151 CZ PHE B 53 13.282 42.961 12.699 1.00 33.02 C -ATOM 1152 N ILE B 54 8.979 39.365 16.811 1.00 20.85 N -ATOM 1153 CA ILE B 54 8.103 38.979 17.902 1.00 18.11 C -ATOM 1154 C ILE B 54 8.588 39.690 19.169 1.00 19.33 C -ATOM 1155 O ILE B 54 9.761 40.102 19.267 1.00 21.41 O -ATOM 1156 CB ILE B 54 8.050 37.448 18.146 1.00 19.40 C -ATOM 1157 CG1 ILE B 54 9.427 36.886 18.523 1.00 8.86 C -ATOM 1158 CG2 ILE B 54 7.464 36.715 16.897 1.00 20.52 C -ATOM 1159 CD1 ILE B 54 9.324 35.504 19.151 1.00 12.20 C -ATOM 1160 N ASN B 55 7.664 39.925 20.091 1.00 16.66 N -ATOM 1161 CA ASN B 55 7.996 40.562 21.346 1.00 17.08 C -ATOM 1162 C ASN B 55 8.384 39.473 22.303 1.00 17.80 C -ATOM 1163 O ASN B 55 7.749 38.401 22.345 1.00 20.52 O -ATOM 1164 CB ASN B 55 6.803 41.319 21.885 1.00 20.33 C -ATOM 1165 CG ASN B 55 6.477 42.507 21.039 1.00 24.41 C -ATOM 1166 OD1 ASN B 55 7.260 43.442 20.936 1.00 33.90 O -ATOM 1167 ND2 ASN B 55 5.368 42.437 20.351 1.00 35.59 N -ATOM 1168 N THR B 56 9.437 39.709 23.055 1.00 13.66 N -ATOM 1169 CA THR B 56 9.886 38.712 23.997 1.00 16.09 C -ATOM 1170 C THR B 56 10.111 39.396 25.341 1.00 16.05 C -ATOM 1171 O THR B 56 10.122 40.634 25.426 1.00 16.49 O -ATOM 1172 CB THR B 56 11.211 38.111 23.530 1.00 14.83 C -ATOM 1173 OG1 THR B 56 12.189 39.159 23.515 1.00 19.22 O -ATOM 1174 CG2 THR B 56 11.078 37.491 22.104 1.00 6.26 C -ATOM 1175 N LYS B 57 10.289 38.575 26.373 1.00 15.33 N -ATOM 1176 CA LYS B 57 10.556 39.021 27.726 1.00 13.93 C -ATOM 1177 C LYS B 57 11.855 38.336 28.096 1.00 13.44 C -ATOM 1178 O LYS B 57 11.918 37.118 28.107 1.00 12.45 O -ATOM 1179 CB LYS B 57 9.463 38.564 28.681 1.00 15.86 C -ATOM 1180 CG LYS B 57 8.102 39.163 28.370 1.00 13.62 C -ATOM 1181 CD LYS B 57 7.057 38.611 29.303 1.00 17.14 C -ATOM 1182 CE LYS B 57 5.691 39.215 29.010 1.00 22.32 C -ATOM 1183 NZ LYS B 57 4.730 38.733 30.023 1.00 32.73 N -ATOM 1184 N GLU B 58 12.897 39.127 28.354 1.00 12.52 N -ATOM 1185 CA GLU B 58 14.202 38.596 28.700 1.00 11.32 C -ATOM 1186 C GLU B 58 14.481 38.533 30.196 1.00 10.39 C -ATOM 1187 O GLU B 58 14.331 39.531 30.904 1.00 9.72 O -ATOM 1188 CB GLU B 58 15.274 39.424 28.005 1.00 10.81 C -ATOM 1189 CG GLU B 58 16.699 39.177 28.481 1.00 20.70 C -ATOM 1190 CD GLU B 58 17.656 40.225 27.951 1.00 27.32 C -ATOM 1191 OE1 GLU B 58 17.830 41.263 28.622 1.00 33.76 O -ATOM 1192 OE2 GLU B 58 18.212 40.023 26.854 1.00 32.21 O -ATOM 1193 N TYR B 59 14.905 37.358 30.654 1.00 10.56 N -ATOM 1194 CA TYR B 59 15.265 37.118 32.038 1.00 9.96 C -ATOM 1195 C TYR B 59 16.748 36.751 32.076 1.00 13.52 C -ATOM 1196 O TYR B 59 17.241 36.016 31.210 1.00 12.69 O -ATOM 1197 CB TYR B 59 14.472 35.937 32.599 1.00 12.83 C -ATOM 1198 CG TYR B 59 12.980 36.148 32.578 1.00 16.51 C -ATOM 1199 CD1 TYR B 59 12.247 35.897 31.406 1.00 19.25 C -ATOM 1200 CD2 TYR B 59 12.302 36.622 33.703 1.00 11.52 C -ATOM 1201 CE1 TYR B 59 10.866 36.119 31.345 1.00 18.15 C -ATOM 1202 CE2 TYR B 59 10.905 36.844 33.654 1.00 16.24 C -ATOM 1203 CZ TYR B 59 10.203 36.590 32.469 1.00 15.89 C -ATOM 1204 OH TYR B 59 8.852 36.806 32.393 1.00 12.36 O -ATOM 1205 N LYS B 60 17.445 37.250 33.095 1.00 13.84 N -ATOM 1206 CA LYS B 60 18.861 36.980 33.289 1.00 15.29 C -ATOM 1207 C LYS B 60 19.028 35.943 34.394 1.00 12.01 C -ATOM 1208 O LYS B 60 18.143 35.777 35.216 1.00 12.58 O -ATOM 1209 CB LYS B 60 19.555 38.252 33.761 1.00 19.87 C -ATOM 1210 CG LYS B 60 19.414 39.409 32.838 1.00 30.71 C -ATOM 1211 CD LYS B 60 20.719 39.655 32.105 1.00 39.76 C -ATOM 1212 CE LYS B 60 20.636 40.946 31.302 1.00 39.36 C -ATOM 1213 NZ LYS B 60 21.850 41.120 30.467 1.00 53.15 N -ATOM 1214 N ASN B 61 20.127 35.204 34.355 1.00 12.46 N -ATOM 1215 CA ASN B 61 20.470 34.246 35.411 1.00 13.93 C -ATOM 1216 C ASN B 61 19.499 33.128 35.643 1.00 15.53 C -ATOM 1217 O ASN B 61 19.243 32.729 36.788 1.00 17.45 O -ATOM 1218 CB ASN B 61 20.715 34.979 36.747 1.00 14.94 C -ATOM 1219 CG ASN B 61 21.889 35.937 36.683 1.00 20.28 C -ATOM 1220 OD1 ASN B 61 22.932 35.615 36.116 1.00 23.17 O -ATOM 1221 ND2 ASN B 61 21.719 37.128 37.238 1.00 27.20 N -ATOM 1222 N VAL B 62 18.937 32.612 34.573 1.00 15.66 N -ATOM 1223 CA VAL B 62 17.996 31.525 34.694 1.00 15.33 C -ATOM 1224 C VAL B 62 18.768 30.202 34.754 1.00 16.24 C -ATOM 1225 O VAL B 62 19.751 30.024 34.032 1.00 15.96 O -ATOM 1226 CB VAL B 62 17.036 31.548 33.503 1.00 15.08 C -ATOM 1227 CG1 VAL B 62 16.063 30.380 33.604 1.00 17.16 C -ATOM 1228 CG2 VAL B 62 16.261 32.872 33.491 1.00 9.15 C -ATOM 1229 N GLU B 63 18.328 29.280 35.615 1.00 17.81 N -ATOM 1230 CA GLU B 63 18.988 27.987 35.758 1.00 19.81 C -ATOM 1231 C GLU B 63 18.604 27.052 34.626 1.00 21.07 C -ATOM 1232 O GLU B 63 17.426 26.751 34.433 1.00 21.35 O -ATOM 1233 CB GLU B 63 18.615 27.315 37.069 1.00 24.56 C -ATOM 1234 CG GLU B 63 19.198 25.907 37.212 1.00 37.49 C -ATOM 1235 CD GLU B 63 18.450 25.028 38.220 1.00 50.13 C -ATOM 1236 OE1 GLU B 63 17.201 25.108 38.316 1.00 56.24 O -ATOM 1237 OE2 GLU B 63 19.120 24.239 38.922 1.00 58.45 O -ATOM 1238 N ILE B 64 19.606 26.557 33.910 1.00 23.08 N -ATOM 1239 CA ILE B 64 19.387 25.641 32.808 1.00 22.88 C -ATOM 1240 C ILE B 64 20.271 24.412 32.970 1.00 24.84 C -ATOM 1241 O ILE B 64 21.475 24.518 33.249 1.00 20.87 O -ATOM 1242 CB ILE B 64 19.692 26.311 31.431 1.00 22.16 C -ATOM 1243 CG1 ILE B 64 18.644 27.381 31.134 1.00 23.87 C -ATOM 1244 CG2 ILE B 64 19.693 25.265 30.310 1.00 17.49 C -ATOM 1245 CD1 ILE B 64 19.227 28.754 30.858 1.00 31.90 C -ATOM 1246 N GLU B 65 19.639 23.247 32.836 1.00 27.33 N -ATOM 1247 CA GLU B 65 20.327 21.957 32.891 1.00 27.41 C -ATOM 1248 C GLU B 65 20.075 21.193 31.580 1.00 25.13 C -ATOM 1249 O GLU B 65 18.921 21.004 31.167 1.00 23.84 O -ATOM 1250 CB GLU B 65 19.836 21.124 34.056 1.00 28.02 C -ATOM 1251 CG GLU B 65 20.685 19.893 34.240 1.00 42.49 C -ATOM 1252 CD GLU B 65 20.268 19.079 35.434 1.00 54.34 C -ATOM 1253 OE1 GLU B 65 19.763 19.669 36.414 1.00 58.80 O -ATOM 1254 OE2 GLU B 65 20.444 17.846 35.392 1.00 64.93 O -ATOM 1255 N VAL B 66 21.162 20.799 30.917 1.00 23.71 N -ATOM 1256 CA VAL B 66 21.086 20.067 29.662 1.00 23.50 C -ATOM 1257 C VAL B 66 22.087 18.955 29.740 1.00 23.08 C -ATOM 1258 O VAL B 66 23.287 19.200 29.900 1.00 20.76 O -ATOM 1259 CB VAL B 66 21.448 20.951 28.430 1.00 27.04 C -ATOM 1260 CG1 VAL B 66 21.339 20.145 27.154 1.00 27.07 C -ATOM 1261 CG2 VAL B 66 20.527 22.167 28.350 1.00 27.49 C -ATOM 1262 N LEU B 67 21.595 17.729 29.581 1.00 24.53 N -ATOM 1263 CA LEU B 67 22.431 16.531 29.635 1.00 27.80 C -ATOM 1264 C LEU B 67 23.417 16.623 30.812 1.00 29.10 C -ATOM 1265 O LEU B 67 24.641 16.544 30.657 1.00 29.51 O -ATOM 1266 CB LEU B 67 23.154 16.282 28.293 1.00 29.17 C -ATOM 1267 CG LEU B 67 22.268 15.822 27.123 1.00 26.67 C -ATOM 1268 CD1 LEU B 67 23.085 15.869 25.813 1.00 23.29 C -ATOM 1269 CD2 LEU B 67 21.646 14.453 27.362 1.00 18.28 C -ATOM 1270 N ASN B 68 22.860 16.883 31.985 1.00 31.72 N -ATOM 1271 CA ASN B 68 23.651 16.976 33.195 1.00 36.29 C -ATOM 1272 C ASN B 68 24.672 18.099 33.279 1.00 34.97 C -ATOM 1273 O ASN B 68 25.695 17.947 33.943 1.00 37.37 O -ATOM 1274 CB ASN B 68 24.335 15.637 33.494 1.00 43.64 C -ATOM 1275 CG ASN B 68 23.819 15.007 34.756 1.00 51.51 C -ATOM 1276 OD1 ASN B 68 22.820 14.288 34.736 1.00 58.71 O -ATOM 1277 ND2 ASN B 68 24.468 15.306 35.879 1.00 61.46 N -ATOM 1278 N LYS B 69 24.461 19.185 32.554 1.00 32.49 N -ATOM 1279 CA LYS B 69 25.357 20.329 32.669 1.00 33.06 C -ATOM 1280 C LYS B 69 24.444 21.408 33.205 1.00 31.38 C -ATOM 1281 O LYS B 69 23.261 21.427 32.868 1.00 34.01 O -ATOM 1282 CB LYS B 69 25.935 20.733 31.315 1.00 37.19 C -ATOM 1283 CG LYS B 69 26.789 19.658 30.685 1.00 50.64 C -ATOM 1284 CD LYS B 69 28.167 19.581 31.321 1.00 59.07 C -ATOM 1285 CE LYS B 69 29.071 20.661 30.769 1.00 63.47 C -ATOM 1286 NZ LYS B 69 29.434 20.378 29.343 1.00 70.63 N -ATOM 1287 N LYS B 70 24.937 22.222 34.126 1.00 30.83 N -ATOM 1288 CA LYS B 70 24.122 23.298 34.679 1.00 30.15 C -ATOM 1289 C LYS B 70 24.779 24.640 34.500 1.00 28.15 C -ATOM 1290 O LYS B 70 25.885 24.839 34.974 1.00 31.37 O -ATOM 1291 CB LYS B 70 23.862 23.105 36.174 1.00 32.80 C -ATOM 1292 CG LYS B 70 22.547 22.444 36.510 1.00 41.42 C -ATOM 1293 CD LYS B 70 22.422 22.294 38.015 1.00 54.39 C -ATOM 1294 CE LYS B 70 21.147 21.556 38.424 1.00 61.64 C -ATOM 1295 NZ LYS B 70 20.969 21.435 39.915 1.00 62.77 N -ATOM 1296 N VAL B 71 24.078 25.563 33.850 1.00 26.14 N -ATOM 1297 CA VAL B 71 24.570 26.924 33.645 1.00 22.33 C -ATOM 1298 C VAL B 71 23.434 27.880 34.019 1.00 21.79 C -ATOM 1299 O VAL B 71 22.299 27.438 34.240 1.00 21.50 O -ATOM 1300 CB VAL B 71 24.967 27.183 32.156 1.00 20.18 C -ATOM 1301 CG1 VAL B 71 26.154 26.327 31.758 1.00 20.52 C -ATOM 1302 CG2 VAL B 71 23.779 26.922 31.232 1.00 7.61 C -ATOM 1303 N ARG B 72 23.761 29.154 34.177 1.00 20.19 N -ATOM 1304 CA ARG B 72 22.786 30.211 34.448 1.00 21.96 C -ATOM 1305 C ARG B 72 22.955 31.054 33.197 1.00 20.29 C -ATOM 1306 O ARG B 72 24.079 31.375 32.807 1.00 21.00 O -ATOM 1307 CB ARG B 72 23.211 31.033 35.656 1.00 20.71 C -ATOM 1308 CG ARG B 72 22.973 30.340 36.984 1.00 30.41 C -ATOM 1309 CD ARG B 72 21.754 30.893 37.682 1.00 39.13 C -ATOM 1310 NE ARG B 72 21.317 29.936 38.689 1.00 35.58 N -ATOM 1311 CZ ARG B 72 20.120 29.914 39.274 1.00 36.21 C -ATOM 1312 NH1 ARG B 72 19.166 30.820 39.005 1.00 33.72 N -ATOM 1313 NH2 ARG B 72 19.846 28.896 40.084 1.00 41.08 N -ATOM 1314 N ALA B 73 21.862 31.378 32.531 1.00 18.96 N -ATOM 1315 CA ALA B 73 21.992 32.131 31.293 1.00 19.15 C -ATOM 1316 C ALA B 73 20.792 33.017 31.072 1.00 17.91 C -ATOM 1317 O ALA B 73 19.825 32.960 31.837 1.00 17.93 O -ATOM 1318 CB ALA B 73 22.148 31.145 30.134 1.00 19.18 C -ATOM 1319 N THR B 74 20.880 33.860 30.048 1.00 16.94 N -ATOM 1320 CA THR B 74 19.792 34.744 29.686 1.00 16.48 C -ATOM 1321 C THR B 74 18.831 33.940 28.842 1.00 16.91 C -ATOM 1322 O THR B 74 19.244 33.147 28.006 1.00 15.97 O -ATOM 1323 CB THR B 74 20.307 35.963 28.955 1.00 18.59 C -ATOM 1324 OG1 THR B 74 21.272 36.595 29.804 1.00 20.09 O -ATOM 1325 CG2 THR B 74 19.157 36.934 28.625 1.00 12.84 C -ATOM 1326 N ILE B 75 17.544 34.132 29.067 1.00 18.16 N -ATOM 1327 CA ILE B 75 16.525 33.371 28.340 1.00 19.26 C -ATOM 1328 C ILE B 75 15.363 34.322 28.049 1.00 18.71 C -ATOM 1329 O ILE B 75 15.116 35.252 28.819 1.00 19.37 O -ATOM 1330 CB ILE B 75 16.059 32.178 29.244 1.00 19.06 C -ATOM 1331 CG1 ILE B 75 16.555 30.848 28.688 1.00 24.11 C -ATOM 1332 CG2 ILE B 75 14.555 32.141 29.385 1.00 16.72 C -ATOM 1333 CD1 ILE B 75 15.557 30.216 27.708 1.00 22.30 C -ATOM 1334 N MET B 76 14.685 34.130 26.924 1.00 16.04 N -ATOM 1335 CA MET B 76 13.549 34.978 26.598 1.00 13.61 C -ATOM 1336 C MET B 76 12.332 34.091 26.463 1.00 16.15 C -ATOM 1337 O MET B 76 12.463 32.882 26.172 1.00 15.61 O -ATOM 1338 CB MET B 76 13.764 35.688 25.268 1.00 12.68 C -ATOM 1339 CG MET B 76 14.858 36.707 25.271 1.00 16.88 C -ATOM 1340 SD MET B 76 15.007 37.409 23.625 1.00 23.60 S -ATOM 1341 CE MET B 76 16.112 38.720 23.954 1.00 24.85 C -ATOM 1342 N THR B 77 11.175 34.633 26.820 1.00 13.33 N -ATOM 1343 CA THR B 77 9.937 33.899 26.623 1.00 13.92 C -ATOM 1344 C THR B 77 9.176 34.703 25.561 1.00 13.69 C -ATOM 1345 O THR B 77 9.330 35.932 25.438 1.00 13.95 O -ATOM 1346 CB THR B 77 9.098 33.706 27.906 1.00 11.90 C -ATOM 1347 OG1 THR B 77 8.600 34.967 28.384 1.00 15.85 O -ATOM 1348 CG2 THR B 77 9.929 33.035 28.966 1.00 7.47 C -ATOM 1349 N GLY B 78 8.426 33.998 24.735 1.00 15.61 N -ATOM 1350 CA GLY B 78 7.669 34.643 23.684 1.00 14.15 C -ATOM 1351 C GLY B 78 6.947 33.557 22.933 1.00 15.70 C -ATOM 1352 O GLY B 78 7.195 32.348 23.130 1.00 17.68 O -ATOM 1353 N ASP B 79 6.037 33.974 22.080 1.00 15.45 N -ATOM 1354 CA ASP B 79 5.263 33.037 21.311 1.00 14.93 C -ATOM 1355 C ASP B 79 6.121 32.435 20.198 1.00 15.54 C -ATOM 1356 O ASP B 79 6.183 32.961 19.114 1.00 19.13 O -ATOM 1357 CB ASP B 79 4.046 33.764 20.737 1.00 14.46 C -ATOM 1358 CG ASP B 79 3.140 32.847 19.935 1.00 21.99 C -ATOM 1359 OD1 ASP B 79 3.347 31.617 19.958 1.00 24.27 O -ATOM 1360 OD2 ASP B 79 2.217 33.360 19.272 1.00 20.29 O -ATOM 1361 N THR B 80 6.782 31.322 20.468 1.00 16.68 N -ATOM 1362 CA THR B 80 7.599 30.687 19.464 1.00 16.86 C -ATOM 1363 C THR B 80 7.039 29.295 19.221 1.00 22.31 C -ATOM 1364 O THR B 80 6.596 28.625 20.157 1.00 20.93 O -ATOM 1365 CB THR B 80 9.087 30.602 19.904 1.00 19.74 C -ATOM 1366 OG1 THR B 80 9.841 29.902 18.907 1.00 25.16 O -ATOM 1367 CG2 THR B 80 9.229 29.877 21.241 1.00 11.83 C -ATOM 1368 N PRO B 81 7.060 28.830 17.959 1.00 24.03 N -ATOM 1369 CA PRO B 81 6.545 27.499 17.624 1.00 23.13 C -ATOM 1370 C PRO B 81 7.446 26.425 18.203 1.00 26.27 C -ATOM 1371 O PRO B 81 6.977 25.359 18.611 1.00 30.65 O -ATOM 1372 CB PRO B 81 6.608 27.479 16.106 1.00 24.04 C -ATOM 1373 CG PRO B 81 6.706 28.941 15.703 1.00 29.95 C -ATOM 1374 CD PRO B 81 7.562 29.520 16.761 1.00 26.28 C -ATOM 1375 N ILE B 82 8.743 26.710 18.276 1.00 25.48 N -ATOM 1376 CA ILE B 82 9.692 25.743 18.820 1.00 22.12 C -ATOM 1377 C ILE B 82 10.580 26.464 19.828 1.00 18.52 C -ATOM 1378 O ILE B 82 10.871 27.637 19.642 1.00 18.07 O -ATOM 1379 CB ILE B 82 10.597 25.140 17.677 1.00 25.19 C -ATOM 1380 CG1 ILE B 82 9.743 24.577 16.543 1.00 30.37 C -ATOM 1381 CG2 ILE B 82 11.395 23.964 18.194 1.00 26.88 C -ATOM 1382 CD1 ILE B 82 10.549 23.921 15.428 1.00 41.92 C -ATOM 1383 N ASN B 83 10.939 25.802 20.928 1.00 15.97 N -ATOM 1384 CA ASN B 83 11.851 26.407 21.907 1.00 15.88 C -ATOM 1385 C ASN B 83 13.290 26.327 21.335 1.00 15.30 C -ATOM 1386 O ASN B 83 13.731 25.292 20.829 1.00 16.92 O -ATOM 1387 CB ASN B 83 11.765 25.681 23.247 1.00 16.68 C -ATOM 1388 CG ASN B 83 10.363 25.603 23.760 1.00 20.56 C -ATOM 1389 OD1 ASN B 83 9.631 26.592 23.733 1.00 18.19 O -ATOM 1390 ND2 ASN B 83 9.943 24.409 24.171 1.00 16.63 N -ATOM 1391 N ILE B 84 14.029 27.412 21.453 1.00 14.22 N -ATOM 1392 CA ILE B 84 15.365 27.505 20.889 1.00 15.29 C -ATOM 1393 C ILE B 84 16.445 27.870 21.920 1.00 14.25 C -ATOM 1394 O ILE B 84 16.253 28.797 22.716 1.00 13.25 O -ATOM 1395 CB ILE B 84 15.407 28.682 19.793 1.00 22.41 C -ATOM 1396 CG1 ILE B 84 14.434 28.421 18.642 1.00 20.64 C -ATOM 1397 CG2 ILE B 84 16.836 28.947 19.277 1.00 16.47 C -ATOM 1398 CD1 ILE B 84 14.788 27.187 17.901 1.00 36.00 C -ATOM 1399 N PHE B 85 17.564 27.146 21.890 1.00 11.23 N -ATOM 1400 CA PHE B 85 18.727 27.480 22.700 1.00 10.49 C -ATOM 1401 C PHE B 85 19.691 27.958 21.647 1.00 11.49 C -ATOM 1402 O PHE B 85 20.126 27.164 20.795 1.00 11.37 O -ATOM 1403 CB PHE B 85 19.316 26.291 23.436 1.00 6.71 C -ATOM 1404 CG PHE B 85 18.676 26.047 24.773 1.00 12.14 C -ATOM 1405 CD1 PHE B 85 17.541 26.793 25.167 1.00 14.35 C -ATOM 1406 CD2 PHE B 85 19.190 25.083 25.634 1.00 15.06 C -ATOM 1407 CE1 PHE B 85 16.931 26.584 26.403 1.00 18.00 C -ATOM 1408 CE2 PHE B 85 18.591 24.848 26.889 1.00 21.22 C -ATOM 1409 CZ PHE B 85 17.456 25.602 27.276 1.00 20.84 C -ATOM 1410 N GLY B 86 19.947 29.265 21.667 1.00 9.91 N -ATOM 1411 CA GLY B 86 20.836 29.890 20.711 1.00 9.00 C -ATOM 1412 C GLY B 86 22.264 29.924 21.217 1.00 9.70 C -ATOM 1413 O GLY B 86 22.565 29.346 22.278 1.00 7.17 O -ATOM 1414 N ARG B 87 23.133 30.629 20.489 1.00 8.91 N -ATOM 1415 CA ARG B 87 24.561 30.698 20.807 1.00 13.33 C -ATOM 1416 C ARG B 87 24.965 31.122 22.230 1.00 14.85 C -ATOM 1417 O ARG B 87 25.967 30.626 22.755 1.00 16.22 O -ATOM 1418 CB ARG B 87 25.315 31.525 19.765 1.00 9.71 C -ATOM 1419 CG ARG B 87 25.360 30.925 18.332 1.00 9.38 C -ATOM 1420 CD ARG B 87 26.244 31.821 17.426 1.00 14.93 C -ATOM 1421 NE ARG B 87 25.722 33.186 17.313 1.00 8.89 N -ATOM 1422 CZ ARG B 87 26.228 34.272 17.906 1.00 13.23 C -ATOM 1423 NH1 ARG B 87 27.311 34.218 18.686 1.00 10.31 N -ATOM 1424 NH2 ARG B 87 25.594 35.420 17.767 1.00 8.27 N -ATOM 1425 N ASN B 88 24.164 31.957 22.889 1.00 14.84 N -ATOM 1426 CA ASN B 88 24.519 32.367 24.256 1.00 17.63 C -ATOM 1427 C ASN B 88 24.544 31.163 25.211 1.00 18.43 C -ATOM 1428 O ASN B 88 25.397 31.072 26.085 1.00 21.22 O -ATOM 1429 CB ASN B 88 23.598 33.468 24.781 1.00 13.83 C -ATOM 1430 CG ASN B 88 22.205 32.968 25.063 1.00 17.78 C -ATOM 1431 OD1 ASN B 88 21.565 32.356 24.208 1.00 15.51 O -ATOM 1432 ND2 ASN B 88 21.736 33.203 26.271 1.00 14.09 N -ATOM 1433 N ILE B 89 23.654 30.206 25.001 1.00 18.69 N -ATOM 1434 CA ILE B 89 23.635 29.019 25.836 1.00 16.67 C -ATOM 1435 C ILE B 89 24.587 27.948 25.295 1.00 16.34 C -ATOM 1436 O ILE B 89 25.221 27.227 26.063 1.00 17.29 O -ATOM 1437 CB ILE B 89 22.206 28.455 25.987 1.00 15.74 C -ATOM 1438 CG1 ILE B 89 21.381 29.363 26.912 1.00 12.11 C -ATOM 1439 CG2 ILE B 89 22.246 27.051 26.551 1.00 13.91 C -ATOM 1440 CD1 ILE B 89 19.901 28.980 27.022 1.00 18.32 C -ATOM 1441 N LEU B 90 24.717 27.848 23.979 1.00 18.63 N -ATOM 1442 CA LEU B 90 25.629 26.837 23.419 1.00 15.26 C -ATOM 1443 C LEU B 90 27.079 27.110 23.858 1.00 14.63 C -ATOM 1444 O LEU B 90 27.817 26.168 24.188 1.00 15.28 O -ATOM 1445 CB LEU B 90 25.531 26.797 21.887 1.00 15.43 C -ATOM 1446 CG LEU B 90 24.107 26.645 21.325 1.00 17.91 C -ATOM 1447 CD1 LEU B 90 24.102 26.608 19.789 1.00 9.54 C -ATOM 1448 CD2 LEU B 90 23.471 25.408 21.892 1.00 9.37 C -ATOM 1449 N THR B 91 27.491 28.378 23.901 1.00 12.81 N -ATOM 1450 CA THR B 91 28.857 28.691 24.316 1.00 14.97 C -ATOM 1451 C THR B 91 29.054 28.399 25.797 1.00 18.75 C -ATOM 1452 O THR B 91 30.083 27.863 26.200 1.00 20.42 O -ATOM 1453 CB THR B 91 29.204 30.145 24.070 1.00 11.10 C -ATOM 1454 OG1 THR B 91 28.195 30.962 24.656 1.00 19.93 O -ATOM 1455 CG2 THR B 91 29.274 30.428 22.586 1.00 15.14 C -ATOM 1456 N ALA B 92 28.026 28.688 26.592 1.00 20.51 N -ATOM 1457 CA ALA B 92 28.078 28.451 28.040 1.00 22.46 C -ATOM 1458 C ALA B 92 28.240 26.972 28.315 1.00 23.38 C -ATOM 1459 O ALA B 92 28.795 26.581 29.344 1.00 26.99 O -ATOM 1460 CB ALA B 92 26.792 28.965 28.707 1.00 17.17 C -ATOM 1461 N LEU B 93 27.688 26.145 27.431 1.00 24.77 N -ATOM 1462 CA LEU B 93 27.782 24.694 27.591 1.00 22.32 C -ATOM 1463 C LEU B 93 29.085 24.158 27.001 1.00 23.55 C -ATOM 1464 O LEU B 93 29.436 23.010 27.222 1.00 27.21 O -ATOM 1465 CB LEU B 93 26.576 23.979 26.954 1.00 17.89 C -ATOM 1466 CG LEU B 93 25.157 24.154 27.541 1.00 21.47 C -ATOM 1467 CD1 LEU B 93 24.115 23.545 26.603 1.00 19.59 C -ATOM 1468 CD2 LEU B 93 25.039 23.528 28.922 1.00 20.21 C -ATOM 1469 N GLY B 94 29.798 24.990 26.247 1.00 22.83 N -ATOM 1470 CA GLY B 94 31.047 24.551 25.645 1.00 21.54 C -ATOM 1471 C GLY B 94 30.883 23.809 24.338 1.00 22.18 C -ATOM 1472 O GLY B 94 31.789 23.090 23.900 1.00 22.00 O -ATOM 1473 N MET B 95 29.731 23.972 23.699 1.00 21.18 N -ATOM 1474 CA MET B 95 29.483 23.318 22.420 1.00 22.63 C -ATOM 1475 C MET B 95 30.194 24.009 21.267 1.00 21.99 C -ATOM 1476 O MET B 95 30.496 25.198 21.337 1.00 22.81 O -ATOM 1477 CB MET B 95 27.992 23.260 22.119 1.00 22.63 C -ATOM 1478 CG MET B 95 27.268 22.177 22.888 1.00 28.42 C -ATOM 1479 SD MET B 95 25.615 21.933 22.277 1.00 34.68 S -ATOM 1480 CE MET B 95 24.755 21.636 23.773 1.00 44.32 C -ATOM 1481 N SER B 96 30.497 23.245 20.221 1.00 19.27 N -ATOM 1482 CA SER B 96 31.159 23.801 19.053 1.00 17.14 C -ATOM 1483 C SER B 96 30.636 23.047 17.833 1.00 17.41 C -ATOM 1484 O SER B 96 30.113 21.934 17.941 1.00 16.88 O -ATOM 1485 CB SER B 96 32.682 23.654 19.177 1.00 13.30 C -ATOM 1486 OG SER B 96 33.039 22.284 19.219 1.00 18.45 O -ATOM 1487 N LEU B 97 30.755 23.679 16.677 1.00 16.15 N -ATOM 1488 CA LEU B 97 30.299 23.118 15.417 1.00 19.36 C -ATOM 1489 C LEU B 97 31.586 22.696 14.723 1.00 19.88 C -ATOM 1490 O LEU B 97 32.495 23.524 14.536 1.00 21.20 O -ATOM 1491 CB LEU B 97 29.593 24.226 14.649 1.00 17.60 C -ATOM 1492 CG LEU B 97 28.787 23.990 13.394 1.00 15.93 C -ATOM 1493 CD1 LEU B 97 27.714 22.911 13.608 1.00 15.55 C -ATOM 1494 CD2 LEU B 97 28.155 25.322 13.070 1.00 12.14 C -ATOM 1495 N ASN B 98 31.689 21.417 14.372 1.00 20.07 N -ATOM 1496 CA ASN B 98 32.929 20.917 13.772 1.00 23.23 C -ATOM 1497 C ASN B 98 32.807 20.249 12.424 1.00 24.85 C -ATOM 1498 O ASN B 98 31.773 19.676 12.097 1.00 24.30 O -ATOM 1499 CB ASN B 98 33.605 19.947 14.730 1.00 22.33 C -ATOM 1500 CG ASN B 98 33.924 20.595 16.066 1.00 28.39 C -ATOM 1501 OD1 ASN B 98 33.039 20.831 16.874 1.00 22.86 O -ATOM 1502 ND2 ASN B 98 35.188 20.898 16.291 1.00 32.61 N -ATOM 1503 N LEU B 99 33.909 20.291 11.688 1.00 25.16 N -ATOM 1504 CA LEU B 99 34.028 19.705 10.366 1.00 26.22 C -ATOM 1505 C LEU B 99 35.438 19.139 10.347 1.00 27.19 C -ATOM 1506 O LEU B 99 35.585 17.930 10.098 1.00 31.13 O -ATOM 1507 CB LEU B 99 33.935 20.793 9.287 1.00 25.70 C -ATOM 1508 CG LEU B 99 33.470 20.399 7.885 1.00 26.60 C -ATOM 1509 CD1 LEU B 99 34.188 21.293 6.926 1.00 30.02 C -ATOM 1510 CD2 LEU B 99 33.781 18.942 7.538 1.00 29.53 C -ATOM 1511 OXT LEU B 99 36.381 19.924 10.578 1.00 26.18 O -TER 1512 LEU B 99 -HETATM 1513 S SO4 A 100 18.458 17.993 -0.310 1.00 53.82 S -HETATM 1514 O1 SO4 A 100 19.073 16.775 0.132 1.00 57.72 O -HETATM 1515 O2 SO4 A 100 18.127 17.855 -1.688 1.00 58.86 O -HETATM 1516 O3 SO4 A 100 17.237 18.164 0.425 1.00 57.04 O -HETATM 1517 O4 SO4 A 100 19.332 19.137 -0.134 1.00 42.12 O -HETATM 1518 S SO4 B 100 7.406 21.493 12.343 1.00 74.77 S -HETATM 1519 O1 SO4 B 100 6.248 21.923 13.068 1.00 78.58 O -HETATM 1520 O2 SO4 B 100 8.006 20.418 13.069 1.00 74.06 O -HETATM 1521 O3 SO4 B 100 7.029 21.043 11.025 1.00 74.01 O -HETATM 1522 O4 SO4 B 100 8.300 22.599 12.218 1.00 76.00 O -HETATM 1523 C1 C20 B 101 18.542 37.227 14.994 1.00 12.85 C -HETATM 1524 C2 C20 B 101 18.321 35.770 15.416 1.00 14.63 C -HETATM 1525 O3 C20 B 101 19.244 35.111 15.921 1.00 16.95 O -HETATM 1526 N4 C20 B 101 17.098 35.276 15.224 1.00 15.46 N -HETATM 1527 C5 C20 B 101 16.794 33.868 15.455 1.00 13.42 C -HETATM 1528 C6 C20 B 101 15.773 33.717 16.622 1.00 13.54 C -HETATM 1529 C7 C20 B 101 15.402 32.240 16.869 1.00 11.09 C -HETATM 1530 C8 C20 B 101 16.358 34.341 17.912 1.00 17.68 C -HETATM 1531 C9 C20 B 101 16.304 33.148 14.183 1.00 18.58 C -HETATM 1532 O10 C20 B 101 15.163 33.356 13.736 1.00 12.73 O -HETATM 1533 N11 C20 B 101 17.173 32.313 13.610 1.00 11.84 N -HETATM 1534 C12 C20 B 101 16.853 31.533 12.416 1.00 11.27 C -HETATM 1535 C13 C20 B 101 17.713 31.996 11.253 1.00 23.62 C -HETATM 1536 C14 C20 B 101 17.670 33.494 11.054 1.00 23.08 C -HETATM 1537 C15 C20 B 101 18.479 34.398 11.909 1.00 24.70 C -HETATM 1538 C16 C20 B 101 18.381 35.774 11.693 1.00 29.55 C -HETATM 1539 C17 C20 B 101 17.550 36.299 10.679 1.00 26.81 C -HETATM 1540 C18 C20 B 101 16.777 35.472 9.850 1.00 23.32 C -HETATM 1541 C19 C20 B 101 16.812 34.085 9.999 1.00 23.91 C -HETATM 1542 C20 C20 B 101 17.072 30.015 12.629 1.00 12.13 C -HETATM 1543 O21 C20 B 101 18.339 29.746 13.215 1.00 20.69 O -HETATM 1544 C22 C20 B 101 16.106 29.424 13.614 1.00 17.09 C -HETATM 1545 N23 C20 B 101 14.808 29.230 13.057 1.00 20.70 N -HETATM 1546 C24 C20 B 101 14.137 28.421 14.049 1.00 20.50 C -HETATM 1547 C25 C20 B 101 12.683 28.379 13.656 1.00 24.09 C -HETATM 1548 C26 C20 B 101 11.787 28.873 14.775 1.00 26.30 C -HETATM 1549 C27 C20 B 101 10.339 28.793 14.404 1.00 29.64 C -HETATM 1550 C28 C20 B 101 9.976 27.385 14.050 1.00 28.85 C -HETATM 1551 C29 C20 B 101 10.867 26.839 12.954 1.00 22.52 C -HETATM 1552 C30 C20 B 101 12.299 26.945 13.351 1.00 21.91 C -HETATM 1553 N31 C20 B 101 14.940 28.565 11.776 1.00 17.80 N -HETATM 1554 C32 C20 B 101 14.288 28.996 10.692 1.00 21.81 C -HETATM 1555 O33 C20 B 101 13.743 30.107 10.623 1.00 18.43 O -HETATM 1556 C34 C20 B 101 14.241 28.036 9.501 1.00 19.75 C -HETATM 1557 N35 C20 B 101 12.979 27.304 9.480 1.00 19.67 N -HETATM 1558 C36 C20 B 101 14.468 28.809 8.167 1.00 17.89 C -HETATM 1559 C37 C20 B 101 15.720 29.682 8.241 1.00 14.34 C -HETATM 1560 C38 C20 B 101 14.630 27.813 7.028 1.00 14.79 C -HETATM 1561 C39 C20 B 101 12.929 25.981 9.621 1.00 25.74 C -HETATM 1562 O40 C20 B 101 13.943 25.276 9.760 1.00 22.57 O -HETATM 1563 C41 C20 B 101 11.579 25.288 9.590 1.00 24.19 C -HETATM 1564 O HOH A 101 31.398 30.538 15.634 1.00 16.03 O -HETATM 1565 O HOH A 102 16.887 23.798 1.067 1.00 16.81 O -HETATM 1566 O HOH A 103 29.706 26.817 -7.062 1.00 17.12 O -HETATM 1567 O HOH A 104 32.002 27.056 22.256 1.00 18.54 O -HETATM 1568 O HOH A 105 17.119 26.770 -12.963 1.00 19.18 O -HETATM 1569 O HOH A 106 14.789 23.573 12.459 1.00 21.57 O -HETATM 1570 O HOH A 107 16.909 21.748 12.776 1.00 23.11 O -HETATM 1571 O HOH A 108 33.547 32.419 17.467 1.00 24.09 O -HETATM 1572 O HOH A 109 24.316 36.386 5.061 1.00 24.59 O -HETATM 1573 O HOH A 110 11.916 22.470 -6.640 1.00 25.20 O -HETATM 1574 O HOH A 111 34.008 28.237 2.413 1.00 27.32 O -HETATM 1575 O HOH A 112 19.097 18.513 -4.386 1.00 27.61 O -HETATM 1576 O HOH A 113 14.104 22.465 -8.528 1.00 29.43 O -HETATM 1577 O HOH A 114 26.379 37.521 0.885 1.00 30.54 O -HETATM 1578 O HOH A 115 13.357 34.139 -4.666 1.00 30.64 O -HETATM 1579 O HOH A 116 17.457 16.424 -6.254 1.00 31.88 O -HETATM 1580 O HOH A 117 35.637 26.245 -0.500 1.00 32.02 O -HETATM 1581 O HOH A 118 20.460 37.661 2.846 1.00 34.05 O -HETATM 1582 O HOH A 119 8.815 25.843 7.350 1.00 34.46 O -HETATM 1583 O HOH A 120 11.041 34.269 -3.560 1.00 35.11 O -HETATM 1584 O HOH A 121 27.183 13.723 7.758 1.00 35.67 O -HETATM 1585 O HOH A 122 7.652 25.782 10.115 1.00 36.63 O -HETATM 1586 O HOH A 123 7.336 36.084 1.305 1.00 37.26 O -HETATM 1587 O HOH A 124 31.065 36.389 12.490 1.00 37.48 O -HETATM 1588 O HOH A 125 17.201 18.906 6.493 1.00 39.17 O -HETATM 1589 O HOH A 126 14.454 17.855 6.920 1.00 40.28 O -HETATM 1590 O HOH A 127 7.170 31.289 -4.198 1.00 40.28 O -HETATM 1591 O HOH A 128 22.004 17.720 0.229 1.00 41.72 O -HETATM 1592 O HOH A 129 11.344 20.743 -8.543 1.00 42.33 O -HETATM 1593 O HOH A 130 16.816 28.637 -16.402 1.00 42.53 O -HETATM 1594 O HOH A 131 34.689 31.227 4.787 1.00 42.58 O -HETATM 1595 O HOH A 132 28.454 38.002 11.250 1.00 42.77 O -HETATM 1596 O HOH A 133 33.914 17.474 -1.745 1.00 42.98 O -HETATM 1597 O HOH A 134 28.968 37.551 15.281 1.00 43.10 O -HETATM 1598 O HOH A 135 16.244 32.656 -8.190 1.00 43.53 O -HETATM 1599 O HOH A 136 12.106 25.620 -16.459 1.00 43.55 O -HETATM 1600 O HOH A 137 11.151 22.472 6.947 1.00 44.15 O -HETATM 1601 O HOH A 138 21.200 26.142 -11.290 1.00 45.10 O -HETATM 1602 O HOH A 139 36.499 25.905 -8.574 1.00 45.15 O -HETATM 1603 O HOH A 140 3.271 34.909 8.498 1.00 45.64 O -HETATM 1604 O HOH A 141 26.105 38.113 10.117 1.00 45.90 O -HETATM 1605 O HOH A 142 34.134 25.386 21.489 1.00 46.12 O -HETATM 1606 O HOH A 143 26.923 16.108 -3.329 1.00 46.41 O -HETATM 1607 O HOH A 144 33.471 15.958 8.807 1.00 47.44 O -HETATM 1608 O HOH A 145 23.175 37.344 -0.806 1.00 47.81 O -HETATM 1609 O HOH A 146 4.831 30.586 -2.491 1.00 48.43 O -HETATM 1610 O HOH A 147 13.807 19.879 -0.375 1.00 49.49 O -HETATM 1611 O HOH A 148 35.512 24.482 -3.584 1.00 49.73 O -HETATM 1612 O HOH A 149 13.811 19.531 -9.860 1.00 49.81 O -HETATM 1613 O HOH A 150 23.987 16.179 -0.582 1.00 50.44 O -HETATM 1614 O HOH A 151 5.453 36.610 7.184 1.00 50.85 O -HETATM 1615 O HOH A 152 9.326 19.250 -3.356 1.00 51.51 O -HETATM 1616 O HOH A 153 16.478 33.285 -11.436 1.00 51.52 O -HETATM 1617 O HOH A 154 22.611 15.252 2.903 1.00 51.61 O -HETATM 1618 O HOH A 155 10.522 35.999 -0.117 1.00 51.76 O -HETATM 1619 O HOH A 156 7.881 23.024 -4.334 1.00 51.77 O -HETATM 1620 O HOH A 157 32.556 16.577 12.410 1.00 51.78 O -HETATM 1621 O HOH A 158 16.408 22.866 -10.091 1.00 51.92 O -HETATM 1622 O HOH A 159 27.135 23.933 -12.095 1.00 52.26 O -HETATM 1623 O HOH A 160 6.657 29.770 11.885 1.00 53.11 O -HETATM 1624 O HOH A 161 34.530 28.845 -7.436 1.00 53.62 O -HETATM 1625 O HOH A 162 34.794 33.704 6.873 1.00 54.41 O -HETATM 1626 O HOH A 163 5.334 31.520 14.115 1.00 54.46 O -HETATM 1627 O HOH A 164 15.721 21.399 1.954 1.00 54.57 O -HETATM 1628 O HOH A 165 33.463 31.535 -8.578 1.00 54.58 O -HETATM 1629 O HOH A 166 10.819 18.666 -0.643 1.00 56.00 O -HETATM 1630 O HOH A 167 24.163 38.257 3.101 1.00 56.04 O -HETATM 1631 O HOH A 168 10.309 21.773 1.337 1.00 56.96 O -HETATM 1632 O HOH A 169 16.324 37.627 -3.551 1.00 58.21 O -HETATM 1633 O HOH A 170 35.463 27.922 -5.141 1.00 59.25 O -HETATM 1634 O HOH A 171 5.685 22.807 -2.801 1.00 59.61 O -HETATM 1635 O HOH A 172 15.183 19.566 4.238 1.00 59.91 O -HETATM 1636 O HOH A 173 36.510 26.944 18.889 1.00 59.93 O -HETATM 1637 O HOH A 174 15.572 16.468 -2.062 1.00 60.65 O -HETATM 1638 O HOH A 175 5.655 25.094 6.026 1.00 61.19 O -HETATM 1639 O HOH A 176 25.605 30.688 -11.993 1.00 61.30 O -HETATM 1640 O HOH A 177 8.654 33.572 -4.589 1.00 62.18 O -HETATM 1641 O HOH A 178 15.390 16.337 4.144 1.00 63.22 O -HETATM 1642 O HOH A 179 24.750 22.635 -11.203 1.00 63.38 O -HETATM 1643 O HOH A 180 9.372 40.335 1.170 1.00 64.75 O -HETATM 1644 O HOH A 181 18.540 34.764 -4.101 1.00 65.34 O -HETATM 1645 O HOH A 182 26.711 36.489 -6.151 1.00 66.18 O -HETATM 1646 O HOH A 183 16.690 19.671 -10.585 1.00 66.53 O -HETATM 1647 O HOH A 184 11.372 18.930 10.094 1.00 68.04 O -HETATM 1648 O HOH A 185 17.125 40.394 1.900 1.00 68.65 O -HETATM 1649 O HOH A 186 30.360 37.895 6.695 1.00 69.41 O -HETATM 1650 O HOH A 187 2.765 35.410 4.358 1.00 72.71 O -HETATM 1651 O HOH A 188 35.254 35.818 -2.722 1.00 77.76 O -HETATM 1652 O HOH B 102 13.393 32.580 12.018 1.00 14.35 O -HETATM 1653 O HOH B 103 21.135 15.934 15.236 1.00 14.58 O -HETATM 1654 O HOH B 104 23.193 34.012 28.391 1.00 15.63 O -HETATM 1655 O HOH B 105 24.117 32.861 15.257 1.00 16.81 O -HETATM 1656 O HOH B 106 18.659 34.938 25.273 1.00 17.26 O -HETATM 1657 O HOH B 107 21.204 12.846 13.782 1.00 19.98 O -HETATM 1658 O HOH B 108 16.597 23.637 36.096 1.00 20.58 O -HETATM 1659 O HOH B 109 4.294 30.616 17.446 1.00 22.41 O -HETATM 1660 O HOH B 110 26.698 15.537 9.947 1.00 23.11 O -HETATM 1661 O HOH B 111 24.058 12.350 16.497 1.00 23.17 O -HETATM 1662 O HOH B 112 22.002 34.484 14.234 1.00 23.19 O -HETATM 1663 O HOH B 113 27.413 11.127 21.295 1.00 23.69 O -HETATM 1664 O HOH B 114 8.666 43.848 23.582 1.00 24.35 O -HETATM 1665 O HOH B 115 14.732 46.455 26.680 1.00 25.31 O -HETATM 1666 O HOH B 116 16.513 41.241 31.952 1.00 25.38 O -HETATM 1667 O HOH B 117 7.585 34.619 31.395 1.00 26.11 O -HETATM 1668 O HOH B 118 4.475 39.266 19.087 1.00 27.42 O -HETATM 1669 O HOH B 119 17.252 29.097 40.742 1.00 28.32 O -HETATM 1670 O HOH B 120 22.070 35.819 32.518 1.00 28.44 O -HETATM 1671 O HOH B 121 5.866 36.646 21.596 1.00 28.50 O -HETATM 1672 O HOH B 122 8.629 21.275 25.264 1.00 28.54 O -HETATM 1673 O HOH B 123 25.776 10.167 24.059 1.00 28.80 O -HETATM 1674 O HOH B 124 14.962 15.316 16.408 1.00 30.03 O -HETATM 1675 O HOH B 125 10.241 22.975 21.564 1.00 30.62 O -HETATM 1676 O HOH B 126 7.299 26.376 21.788 1.00 31.52 O -HETATM 1677 O HOH B 127 19.018 16.992 29.413 1.00 35.69 O -HETATM 1678 O HOH B 128 19.766 39.422 17.664 1.00 36.49 O -HETATM 1679 O HOH B 129 14.899 45.013 21.516 1.00 37.24 O -HETATM 1680 O HOH B 130 15.733 39.058 34.637 1.00 37.43 O -HETATM 1681 O HOH B 131 7.193 24.597 25.849 1.00 37.57 O -HETATM 1682 O HOH B 132 6.433 35.751 27.205 1.00 38.14 O -HETATM 1683 O HOH B 133 12.857 46.298 32.675 1.00 38.35 O -HETATM 1684 O HOH B 134 10.726 37.715 37.518 1.00 39.04 O -HETATM 1685 O HOH B 135 6.211 38.007 25.179 1.00 39.67 O -HETATM 1686 O HOH B 136 14.261 39.974 10.831 1.00 40.06 O -HETATM 1687 O HOH B 137 24.635 35.439 21.647 1.00 40.14 O -HETATM 1688 O HOH B 138 16.598 39.858 12.135 1.00 40.54 O -HETATM 1689 O HOH B 139 3.068 31.094 37.839 1.00 41.38 O -HETATM 1690 O HOH B 140 15.649 46.688 23.862 1.00 41.52 O -HETATM 1691 O HOH B 141 26.701 29.644 33.964 1.00 41.59 O -HETATM 1692 O HOH B 142 2.457 29.287 16.023 1.00 41.64 O -HETATM 1693 O HOH B 143 16.801 40.029 16.005 1.00 42.14 O -HETATM 1694 O HOH B 144 15.036 46.716 31.174 1.00 42.27 O -HETATM 1695 O HOH B 145 32.474 27.448 25.005 1.00 42.60 O -HETATM 1696 O HOH B 146 28.201 32.421 27.222 1.00 42.64 O -HETATM 1697 O HOH B 147 15.291 35.238 36.510 1.00 42.65 O -HETATM 1698 O HOH B 148 19.700 17.258 32.181 1.00 45.13 O -HETATM 1699 O HOH B 149 28.007 37.127 19.100 1.00 45.19 O -HETATM 1700 O HOH B 150 17.455 21.093 36.826 1.00 45.98 O -HETATM 1701 O HOH B 151 12.229 36.810 6.634 1.00 46.34 O -HETATM 1702 O HOH B 152 31.969 25.253 29.473 1.00 46.38 O -HETATM 1703 O HOH B 153 2.823 33.240 23.940 1.00 46.94 O -HETATM 1704 O HOH B 154 2.905 29.193 12.973 1.00 47.06 O -HETATM 1705 O HOH B 155 5.025 32.445 26.196 1.00 47.51 O -HETATM 1706 O HOH B 156 12.076 16.961 16.219 1.00 47.82 O -HETATM 1707 O HOH B 157 5.359 38.291 13.748 1.00 48.01 O -HETATM 1708 O HOH B 158 2.301 28.927 31.238 1.00 48.06 O -HETATM 1709 O HOH B 159 24.410 35.635 29.826 1.00 49.51 O -HETATM 1710 O HOH B 160 26.409 31.273 31.294 1.00 50.20 O -HETATM 1711 O HOH B 161 14.043 12.106 12.169 1.00 50.54 O -HETATM 1712 O HOH B 162 3.749 28.895 21.153 1.00 50.63 O -HETATM 1713 O HOH B 163 32.957 21.868 22.052 1.00 51.45 O -HETATM 1714 O HOH B 164 21.380 39.781 26.898 1.00 51.50 O -HETATM 1715 O HOH B 165 14.203 26.343 40.318 1.00 51.61 O -HETATM 1716 O HOH B 166 6.370 25.290 13.217 1.00 51.93 O -HETATM 1717 O HOH B 167 20.953 36.548 24.356 1.00 51.97 O -HETATM 1718 O HOH B 168 13.681 15.666 12.314 1.00 52.30 O -HETATM 1719 O HOH B 169 23.069 38.409 28.992 1.00 52.78 O -HETATM 1720 O HOH B 170 10.035 39.483 39.515 1.00 55.69 O -HETATM 1721 O HOH B 171 7.605 22.541 8.829 1.00 55.78 O -HETATM 1722 O HOH B 172 29.238 28.286 31.359 1.00 56.14 O -HETATM 1723 O HOH B 173 0.617 31.148 14.683 1.00 57.04 O -HETATM 1724 O HOH B 174 1.385 33.788 27.115 1.00 57.62 O -HETATM 1725 O HOH B 175 32.865 11.000 15.513 1.00 57.71 O -HETATM 1726 O HOH B 176 6.312 39.816 11.696 1.00 57.73 O -HETATM 1727 O HOH B 177 24.313 34.303 33.065 1.00 58.03 O -HETATM 1728 O HOH B 178 29.166 9.474 16.530 1.00 58.70 O -HETATM 1729 O HOH B 179 23.063 36.525 26.915 1.00 58.72 O -HETATM 1730 O HOH B 180 14.318 15.000 23.557 1.00 59.07 O -HETATM 1731 O HOH B 181 16.336 32.538 38.289 1.00 59.51 O -HETATM 1732 O HOH B 182 25.620 37.339 20.114 1.00 59.66 O -HETATM 1733 O HOH B 183 13.724 37.762 37.703 1.00 60.29 O -HETATM 1734 O HOH B 184 17.162 41.594 39.091 1.00 61.00 O -HETATM 1735 O HOH B 185 6.456 28.085 34.136 1.00 61.14 O -HETATM 1736 O HOH B 186 25.542 32.537 28.729 1.00 61.40 O -HETATM 1737 O HOH B 187 10.830 27.098 34.481 1.00 62.14 O -HETATM 1738 O HOH B 188 7.284 38.110 5.886 1.00 62.17 O -HETATM 1739 O HOH B 189 11.581 19.858 16.234 1.00 62.73 O -HETATM 1740 O HOH B 190 9.454 17.717 27.987 1.00 64.24 O -HETATM 1741 O HOH B 191 12.099 15.384 18.565 1.00 64.69 O -HETATM 1742 O HOH B 192 7.557 23.644 20.706 1.00 65.03 O -HETATM 1743 O HOH B 193 7.381 19.399 26.874 1.00 66.83 O -HETATM 1744 O HOH B 194 36.848 19.254 13.779 1.00 66.92 O -HETATM 1745 O HOH B 195 1.469 36.216 19.793 1.00 67.36 O -HETATM 1746 O HOH B 196 32.050 28.041 28.514 1.00 68.11 O -HETATM 1747 O HOH B 197 3.493 35.441 30.060 1.00 68.99 O -HETATM 1748 O HOH B 198 -0.008 28.151 32.511 1.00 69.06 O -HETATM 1749 O HOH B 199 2.303 40.848 28.316 1.00 71.32 O -HETATM 1750 O HOH B 200 13.198 8.627 13.077 1.00 71.32 O -HETATM 1751 O HOH B 201 23.230 38.306 33.915 1.00 72.80 O -HETATM 1752 O HOH B 202 3.168 31.588 30.276 1.00 72.81 O -HETATM 1753 O HOH B 203 13.109 38.745 8.199 1.00 75.48 O -HETATM 1754 O HOH B 204 20.434 39.699 20.694 1.00 78.37 O -HETATM 1755 O HOH B 205 4.009 36.286 23.900 1.00 78.52 O -HETATM 1756 O HOH B 206 1.275 25.760 31.247 1.00 79.12 O -HETATM 1757 O HOH B 207 16.794 42.031 18.749 1.00 79.67 O -CONECT 1513 1514 1515 1516 1517 -CONECT 1514 1513 -CONECT 1515 1513 -CONECT 1516 1513 -CONECT 1517 1513 -CONECT 1518 1519 1520 1521 1522 -CONECT 1519 1518 -CONECT 1520 1518 -CONECT 1521 1518 -CONECT 1522 1518 -CONECT 1523 1524 -CONECT 1524 1523 1525 1526 -CONECT 1525 1524 -CONECT 1526 1524 1527 -CONECT 1527 1526 1528 1531 -CONECT 1528 1527 1529 1530 -CONECT 1529 1528 -CONECT 1530 1528 -CONECT 1531 1527 1532 1533 -CONECT 1532 1531 -CONECT 1533 1531 1534 -CONECT 1534 1533 1535 1542 -CONECT 1535 1534 1536 -CONECT 1536 1535 1537 1541 -CONECT 1537 1536 1538 -CONECT 1538 1537 1539 -CONECT 1539 1538 1540 -CONECT 1540 1539 1541 -CONECT 1541 1536 1540 -CONECT 1542 1534 1543 1544 -CONECT 1543 1542 -CONECT 1544 1542 1545 -CONECT 1545 1544 1546 1553 -CONECT 1546 1545 1547 -CONECT 1547 1546 1548 1552 -CONECT 1548 1547 1549 -CONECT 1549 1548 1550 -CONECT 1550 1549 1551 -CONECT 1551 1550 1552 -CONECT 1552 1547 1551 -CONECT 1553 1545 1554 -CONECT 1554 1553 1555 1556 -CONECT 1555 1554 -CONECT 1556 1554 1557 1558 -CONECT 1557 1556 1561 -CONECT 1558 1556 1559 1560 -CONECT 1559 1558 -CONECT 1560 1558 -CONECT 1561 1557 1562 1563 -CONECT 1562 1561 -CONECT 1563 1561 -MASTER 245 0 3 2 16 0 18 9 1755 2 51 16 -END |