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Diffstat (limited to 'plip/test/pdb/1bju.pdb')
| -rw-r--r-- | plip/test/pdb/1bju.pdb | 2217 |
1 files changed, 2217 insertions, 0 deletions
diff --git a/plip/test/pdb/1bju.pdb b/plip/test/pdb/1bju.pdb new file mode 100644 index 0000000..ae36824 --- /dev/null +++ b/plip/test/pdb/1bju.pdb @@ -0,0 +1,2217 @@ +HEADER SERINE PROTEASE 29-JUN-98 1BJU +TITLE BETA-TRYPSIN COMPLEXED WITH ACPU +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: BETA-TRYPSIN; +COMPND 3 CHAIN: A; +COMPND 4 EC: 3.4.21.4; +COMPND 5 OTHER_DETAILS: ACPU INHIBITED, ROOM TEMPERATURE 295 K +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; +SOURCE 3 ORGANISM_COMMON: CATTLE; +SOURCE 4 ORGANISM_TAXID: 9913; +SOURCE 5 ORGAN: PANCREAS +KEYWDS HYDROLASE, SERINE PROTEASE, DIGESTION, PANCREAS, ZYMOGEN +EXPDTA X-RAY DIFFRACTION +AUTHOR S.PRESNELL,G.PATIL,C.MURA,K.JUDE,J.CONLEY,C.KAM,J.BERTRAND, +AUTHOR 2 J.POWERS,L.WILLIAMS +REVDAT 3 24-FEB-09 1BJU 1 VERSN +REVDAT 2 13-JAN-99 1BJU 3 REMARK HEADER LINK ATOM +REVDAT 2 2 3 FORMUL JRNL KEYWDS SHEET +REVDAT 2 3 3 CONECT +REVDAT 1 02-DEC-98 1BJU 0 +JRNL AUTH S.R.PRESNELL,G.S.PATIL,C.MURA,K.M.JUDE,J.M.CONLEY, +JRNL AUTH 2 J.A.BERTRAND,C.M.KAM,J.C.POWERS,L.D.WILLIAMS +JRNL TITL OXYANION-MEDIATED INHIBITION OF SERINE PROTEASES. +JRNL REF BIOCHEMISTRY V. 37 17068 1998 +JRNL REFN ISSN 0006-2960 +JRNL PMID 9836602 +JRNL DOI 10.1021/BI981636U +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH W.BODE,P.SCHWAGER +REMARK 1 TITL THE REFINED CRYSTAL STRUCTURE OF BOVINE +REMARK 1 TITL 2 BETA-TRYPSIN AT 1.8 A RESOLUTION. II. +REMARK 1 TITL 3 CRYSTALLOGRAPHIC REFINEMENT, CALCIUM BINDING SITE, +REMARK 1 TITL 4 BENZAMIDINE BINDING SITE AND ACTIVE SITE AT PH 7.0 +REMARK 1 REF J.MOL.BIOL. V. 98 693 1975 +REMARK 1 REFN ISSN 0022-2836 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.1 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : 28730 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : 0.171 +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1629 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 29 +REMARK 3 SOLVENT ATOMS : 97 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.012 +REMARK 3 BOND ANGLES (DEGREES) : 2.64 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PARAM19X.PRO +REMARK 3 PARAMETER FILE 2 : NULL +REMARK 3 PARAMETER FILE 3 : NULL +REMARK 3 TOPOLOGY FILE 1 : TOPH19.PRO +REMARK 3 TOPOLOGY FILE 2 : NULL +REMARK 3 TOPOLOGY FILE 3 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1BJU 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 : AUG-93 +REMARK 200 TEMPERATURE (KELVIN) : 293 +REMARK 200 PH : 6.0 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NI FILTER +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : AREA DETECTOR +REMARK 200 DETECTOR MANUFACTURER : XUONG-HAMLIN MULTIWIRE +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : SDMS +REMARK 200 DATA SCALING SOFTWARE : SDMS +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 28730 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 7.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 97.0 +REMARK 200 DATA REDUNDANCY : 7.100 +REMARK 200 R MERGE (I) : 0.11000 +REMARK 200 R SYM (I) : NULL +REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 5.2000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.72 +REMARK 200 COMPLETENESS FOR SHELL (%) : 88.0 +REMARK 200 DATA REDUNDANCY IN SHELL : 3.10 +REMARK 200 R MERGE FOR SHELL (I) : 0.35000 +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: DIFFERENCE FOURIER +REMARK 200 SOFTWARE USED: X-PLOR 3.1 +REMARK 200 STARTING MODEL: 3PTB +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 47.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.34 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.9 M AMMONIUM SULFATE, 0.005 M +REMARK 280 MES, 0.001 M CACL2, 0.0025 M BENZAMIDINE, PH 6.0 +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 27.42000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 33.91500 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.24500 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 33.91500 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 27.42000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.24500 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 TRP A 51 CD1 - CG - CD2 ANGL. DEV. = 6.5 DEGREES +REMARK 500 TRP A 51 CE2 - CD2 - CG ANGL. DEV. = -5.4 DEGREES +REMARK 500 TYR A 59 CB - CG - CD2 ANGL. DEV. = -5.5 DEGREES +REMARK 500 TRP A 141 CD1 - CG - CD2 ANGL. DEV. = 6.1 DEGREES +REMARK 500 TRP A 141 CE2 - CD2 - CG ANGL. DEV. = -5.6 DEGREES +REMARK 500 TRP A 215 CD1 - CG - CD2 ANGL. DEV. = 5.9 DEGREES +REMARK 500 TRP A 215 CE2 - CD2 - CG ANGL. DEV. = -5.3 DEGREES +REMARK 500 TRP A 237 CD1 - CG - CD2 ANGL. DEV. = 5.8 DEGREES +REMARK 500 TRP A 237 CE2 - CD2 - CG ANGL. DEV. = -5.5 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASP A 71 -78.32 -127.24 +REMARK 500 ASN A 115 -163.79 -161.24 +REMARK 500 SER A 214 -65.83 -123.59 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 525 +REMARK 525 SOLVENT +REMARK 525 +REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT +REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST +REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT +REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +REMARK 525 NUMBER; I=INSERTION CODE): +REMARK 525 +REMARK 525 M RES CSSEQI +REMARK 525 HOH A 538 DISTANCE = 6.22 ANGSTROMS +REMARK 525 HOH A 571 DISTANCE = 7.04 ANGSTROMS +REMARK 525 HOH A 653 DISTANCE = 5.82 ANGSTROMS +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CA A 246 CA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 70 OE1 +REMARK 620 2 ASN A 72 O 86.5 +REMARK 620 3 VAL A 75 O 157.1 83.0 +REMARK 620 4 GLU A 80 OE2 104.1 160.3 92.2 +REMARK 620 5 HOH A 552 O 87.3 88.1 112.5 76.0 +REMARK 620 6 HOH A 551 O 79.0 101.5 83.2 96.9 162.7 +REMARK 620 N 1 2 3 4 5 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 246 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 901 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GP6 A 910 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 300 +REMARK 999 +REMARK 999 SEQUENCE +REMARK 999 +REMARK 999 THE TRYPSIN RESIDUE NUMBERING USED IN THIS ENTRY IS BASED +REMARK 999 ON THE CHYMOTRYPSINOGEN NUMBERING SYSTEM. +DBREF 1BJU A 16 245 UNP P00760 TRY1_BOVIN 21 243 +SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO +SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY +SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA +SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU +SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE +SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER +SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS +SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER +SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU +SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER +SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU +SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE +SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY +SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL +SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER +SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS +SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA +SEQRES 18 A 223 SER ASN +HET CA A 246 1 +HET SO4 A 901 5 +HET GP6 A 910 20 +HET DMS A 300 4 +HETNAM CA CALCIUM ION +HETNAM SO4 SULFATE ION +HETNAM GP6 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA +HETNAM DMS DIMETHYL SULFOXIDE +FORMUL 2 CA CA 2+ +FORMUL 3 SO4 O4 S 2- +FORMUL 4 GP6 C14 H13 CL N4 O +FORMUL 5 DMS C2 H6 O S +FORMUL 6 HOH *97(H2 O) +HELIX 1 1 ALA A 56 CYS A 58 5 3 +HELIX 2 2 ASP A 165 ALA A 171 1 7 +HELIX 3 3 VAL A 231 ASN A 233 5 3 +HELIX 4 4 VAL A 235 ALA A 243 1 9 +SHEET 1 A 7 GLN A 81 SER A 84 0 +SHEET 2 A 7 GLN A 64 LEU A 67 -1 N LEU A 67 O GLN A 81 +SHEET 3 A 7 GLN A 30 ASN A 34 -1 N ASN A 34 O GLN A 64 +SHEET 4 A 7 HIS A 40 ASN A 48 -1 N GLY A 44 O VAL A 31 +SHEET 5 A 7 TRP A 51 SER A 54 -1 N VAL A 53 O SER A 45 +SHEET 6 A 7 MET A 104 LEU A 108 -1 N ILE A 106 O VAL A 52 +SHEET 7 A 7 ALA A 85 VAL A 90 -1 N ILE A 89 O LEU A 105 +SHEET 1 B 2 GLN A 135 GLY A 140 0 +SHEET 2 B 2 LYS A 156 PRO A 161 -1 N ALA A 160 O CYS A 136 +SHEET 1 C 1 MET A 180 ALA A 183 0 +SSBOND 1 CYS A 22 CYS A 157 1555 1555 2.01 +SSBOND 2 CYS A 42 CYS A 58 1555 1555 2.01 +SSBOND 3 CYS A 128 CYS A 232 1555 1555 2.02 +SSBOND 4 CYS A 136 CYS A 201 1555 1555 2.03 +SSBOND 5 CYS A 168 CYS A 182 1555 1555 2.02 +SSBOND 6 CYS A 191 CYS A 220 1555 1555 2.00 +LINK CA CA A 246 OE1 GLU A 70 1555 1555 2.26 +LINK CA CA A 246 O ASN A 72 1555 1555 2.29 +LINK CA CA A 246 O VAL A 75 1555 1555 2.24 +LINK CA CA A 246 OE2 GLU A 80 1555 1555 2.31 +LINK CA CA A 246 O HOH A 552 1555 1555 2.18 +LINK CA CA A 246 O HOH A 551 1555 1555 2.22 +SITE 1 AC1 6 GLU A 70 ASN A 72 VAL A 75 GLU A 80 +SITE 2 AC1 6 HOH A 551 HOH A 552 +SITE 1 AC2 5 HIS A 57 GLN A 192 GLY A 193 SER A 195 +SITE 2 AC2 5 GP6 A 910 +SITE 1 AC3 12 HIS A 57 LEU A 99 ASP A 189 SER A 190 +SITE 2 AC3 12 GLN A 192 SER A 195 TRP A 215 GLY A 216 +SITE 3 AC3 12 GLY A 219 GLY A 226 HOH A 513 SO4 A 901 +SITE 1 AC4 7 ARG A 66 ILE A 73 VAL A 90 HIS A 91 +SITE 2 AC4 7 TYR A 94 HOH A 551 HOH A 630 +CRYST1 54.840 58.490 67.830 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.018235 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.017097 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.014743 0.00000 +ATOM 1 N ILE A 16 -8.210 9.510 20.478 1.00 6.27 N +ATOM 2 CA ILE A 16 -8.175 8.627 19.313 1.00 7.69 C +ATOM 3 C ILE A 16 -9.430 8.900 18.477 1.00 7.28 C +ATOM 4 O ILE A 16 -10.540 8.814 19.013 1.00 5.17 O +ATOM 5 CB ILE A 16 -8.171 7.125 19.764 1.00 5.20 C +ATOM 6 CG1 ILE A 16 -6.908 6.787 20.549 1.00 6.11 C +ATOM 7 CG2 ILE A 16 -8.267 6.207 18.530 1.00 6.34 C +ATOM 8 CD1 ILE A 16 -5.591 6.774 19.748 1.00 7.68 C +ATOM 9 N VAL A 17 -9.279 9.196 17.186 1.00 5.73 N +ATOM 10 CA VAL A 17 -10.404 9.439 16.272 1.00 6.40 C +ATOM 11 C VAL A 17 -10.586 8.183 15.430 1.00 7.50 C +ATOM 12 O VAL A 17 -9.630 7.647 14.866 1.00 6.71 O +ATOM 13 CB VAL A 17 -10.123 10.615 15.304 1.00 8.95 C +ATOM 14 CG1 VAL A 17 -11.366 10.905 14.475 1.00 7.98 C +ATOM 15 CG2 VAL A 17 -9.725 11.848 16.091 1.00 7.01 C +ATOM 16 N GLY A 18 -11.811 7.683 15.370 1.00 7.40 N +ATOM 17 CA GLY A 18 -12.132 6.544 14.528 1.00 9.11 C +ATOM 18 C GLY A 18 -11.620 5.200 15.043 1.00 11.28 C +ATOM 19 O GLY A 18 -11.434 4.268 14.240 1.00 12.17 O +ATOM 20 N GLY A 19 -11.410 5.073 16.355 1.00 8.73 N +ATOM 21 CA GLY A 19 -10.916 3.833 16.923 1.00 11.65 C +ATOM 22 C GLY A 19 -12.034 3.070 17.616 1.00 11.93 C +ATOM 23 O GLY A 19 -13.216 3.297 17.337 1.00 13.01 O +ATOM 24 N TYR A 20 -11.725 2.149 18.518 1.00 7.58 N +ATOM 25 CA TYR A 20 -12.742 1.342 19.158 1.00 8.99 C +ATOM 26 C TYR A 20 -12.418 1.328 20.638 1.00 7.74 C +ATOM 27 O TYR A 20 -11.332 1.742 21.043 1.00 7.95 O +ATOM 28 CB TYR A 20 -12.746 -0.095 18.551 1.00 6.54 C +ATOM 29 CG TYR A 20 -11.425 -0.833 18.653 1.00 6.16 C +ATOM 30 CD1 TYR A 20 -10.397 -0.549 17.755 1.00 8.61 C +ATOM 31 CD2 TYR A 20 -11.237 -1.792 19.645 1.00 8.71 C +ATOM 32 CE1 TYR A 20 -9.180 -1.216 17.851 1.00 8.15 C +ATOM 33 CE2 TYR A 20 -10.023 -2.465 19.746 1.00 9.22 C +ATOM 34 CZ TYR A 20 -9.006 -2.168 18.848 1.00 7.57 C +ATOM 35 OH TYR A 20 -7.789 -2.819 18.934 1.00 14.71 O +ATOM 36 N THR A 21 -13.352 0.931 21.481 1.00 9.76 N +ATOM 37 CA THR A 21 -13.135 0.859 22.904 1.00 9.12 C +ATOM 38 C THR A 21 -12.255 -0.346 23.171 1.00 9.21 C +ATOM 39 O THR A 21 -12.635 -1.468 22.819 1.00 9.44 O +ATOM 40 CB THR A 21 -14.514 0.742 23.563 1.00 10.65 C +ATOM 41 OG1 THR A 21 -15.211 1.935 23.167 1.00 12.84 O +ATOM 42 CG2 THR A 21 -14.446 0.551 25.073 1.00 15.19 C +ATOM 43 N CYS A 22 -11.108 -0.144 23.806 1.00 9.67 N +ATOM 44 CA CYS A 22 -10.151 -1.216 24.000 1.00 9.22 C +ATOM 45 C CYS A 22 -10.668 -2.387 24.810 1.00 9.25 C +ATOM 46 O CYS A 22 -10.411 -3.541 24.486 1.00 8.98 O +ATOM 47 CB CYS A 22 -8.928 -0.713 24.715 1.00 10.69 C +ATOM 48 SG CYS A 22 -8.000 0.623 23.930 1.00 8.00 S +ATOM 49 N GLY A 23 -11.394 -2.114 25.879 1.00 10.39 N +ATOM 50 CA GLY A 23 -11.813 -3.126 26.802 1.00 9.12 C +ATOM 51 C GLY A 23 -10.924 -2.930 28.021 1.00 9.25 C +ATOM 52 O GLY A 23 -9.721 -2.682 27.904 1.00 7.55 O +ATOM 53 N ALA A 24 -11.495 -3.035 29.212 1.00 10.66 N +ATOM 54 CA ALA A 24 -10.735 -2.757 30.424 1.00 11.45 C +ATOM 55 C ALA A 24 -9.521 -3.653 30.624 1.00 13.94 C +ATOM 56 O ALA A 24 -9.549 -4.897 30.614 1.00 14.09 O +ATOM 57 CB ALA A 24 -11.604 -2.910 31.651 1.00 13.35 C +ATOM 58 N ASN A 25 -8.399 -2.968 30.806 1.00 14.39 N +ATOM 59 CA ASN A 25 -7.107 -3.561 31.080 1.00 14.87 C +ATOM 60 C ASN A 25 -6.578 -4.474 29.986 1.00 14.24 C +ATOM 61 O ASN A 25 -5.733 -5.336 30.231 1.00 14.25 O +ATOM 62 CB ASN A 25 -7.177 -4.306 32.408 1.00 17.40 C +ATOM 63 CG ASN A 25 -7.667 -3.420 33.552 1.00 22.88 C +ATOM 64 OD1 ASN A 25 -7.192 -2.305 33.801 1.00 25.59 O +ATOM 65 ND2 ASN A 25 -8.693 -3.846 34.268 1.00 20.67 N +ATOM 66 N THR A 26 -7.014 -4.281 28.747 1.00 11.78 N +ATOM 67 CA THR A 26 -6.466 -5.067 27.657 1.00 10.14 C +ATOM 68 C THR A 26 -5.164 -4.441 27.208 1.00 9.51 C +ATOM 69 O THR A 26 -4.442 -5.020 26.397 1.00 10.92 O +ATOM 70 CB THR A 26 -7.481 -5.106 26.516 1.00 11.56 C +ATOM 71 OG1 THR A 26 -7.812 -3.761 26.155 1.00 9.08 O +ATOM 72 CG2 THR A 26 -8.749 -5.828 26.946 1.00 13.47 C +ATOM 73 N VAL A 27 -4.798 -3.225 27.656 1.00 7.87 N +ATOM 74 CA VAL A 27 -3.568 -2.569 27.241 1.00 7.14 C +ATOM 75 C VAL A 27 -2.834 -2.329 28.557 1.00 8.04 C +ATOM 76 O VAL A 27 -2.781 -1.191 29.033 1.00 8.53 O +ATOM 77 CB VAL A 27 -3.894 -1.221 26.521 1.00 8.70 C +ATOM 78 CG1 VAL A 27 -2.600 -0.667 25.978 1.00 10.11 C +ATOM 79 CG2 VAL A 27 -4.824 -1.386 25.316 1.00 8.34 C +ATOM 80 N PRO A 28 -2.200 -3.299 29.211 1.00 8.15 N +ATOM 81 CA PRO A 28 -1.786 -3.172 30.619 1.00 6.26 C +ATOM 82 C PRO A 28 -0.597 -2.243 30.885 1.00 6.64 C +ATOM 83 O PRO A 28 -0.268 -1.905 32.025 1.00 6.48 O +ATOM 84 CB PRO A 28 -1.544 -4.618 31.025 1.00 8.20 C +ATOM 85 CG PRO A 28 -1.077 -5.274 29.743 1.00 6.80 C +ATOM 86 CD PRO A 28 -1.999 -4.660 28.703 1.00 7.07 C +ATOM 87 N TYR A 29 0.100 -1.835 29.819 1.00 5.22 N +ATOM 88 CA TYR A 29 1.252 -0.955 29.917 1.00 6.31 C +ATOM 89 C TYR A 29 0.852 0.511 29.755 1.00 5.80 C +ATOM 90 O TYR A 29 1.685 1.415 29.904 1.00 5.92 O +ATOM 91 CB TYR A 29 2.303 -1.316 28.837 1.00 4.78 C +ATOM 92 CG TYR A 29 1.722 -1.469 27.444 1.00 5.47 C +ATOM 93 CD1 TYR A 29 1.475 -0.358 26.640 1.00 4.88 C +ATOM 94 CD2 TYR A 29 1.386 -2.747 27.001 1.00 6.12 C +ATOM 95 CE1 TYR A 29 0.866 -0.514 25.391 1.00 6.74 C +ATOM 96 CE2 TYR A 29 0.783 -2.915 25.748 1.00 7.39 C +ATOM 97 CZ TYR A 29 0.518 -1.799 24.957 1.00 7.63 C +ATOM 98 OH TYR A 29 -0.097 -1.964 23.729 1.00 7.67 O +ATOM 99 N GLN A 30 -0.417 0.794 29.441 1.00 5.31 N +ATOM 100 CA GLN A 30 -0.851 2.165 29.172 1.00 6.35 C +ATOM 101 C GLN A 30 -0.938 2.915 30.481 1.00 7.29 C +ATOM 102 O GLN A 30 -1.493 2.385 31.458 1.00 7.33 O +ATOM 103 CB GLN A 30 -2.212 2.122 28.469 1.00 5.18 C +ATOM 104 CG GLN A 30 -2.909 3.468 28.362 1.00 8.19 C +ATOM 105 CD GLN A 30 -2.431 4.383 27.247 1.00 11.12 C +ATOM 106 OE1 GLN A 30 -2.210 5.579 27.426 1.00 13.85 O +ATOM 107 NE2 GLN A 30 -2.293 3.907 26.032 1.00 8.80 N +ATOM 108 N VAL A 31 -0.402 4.135 30.505 1.00 3.98 N +ATOM 109 CA VAL A 31 -0.398 4.940 31.707 1.00 7.57 C +ATOM 110 C VAL A 31 -1.133 6.254 31.427 1.00 5.83 C +ATOM 111 O VAL A 31 -1.125 6.716 30.283 1.00 3.97 O +ATOM 112 CB VAL A 31 1.123 5.082 32.049 1.00 10.43 C +ATOM 113 CG1 VAL A 31 1.538 6.451 32.514 1.00 9.49 C +ATOM 114 CG2 VAL A 31 1.403 4.028 33.105 1.00 12.42 C +ATOM 115 N SER A 32 -1.747 6.876 32.435 1.00 3.33 N +ATOM 116 CA SER A 32 -2.295 8.217 32.297 1.00 4.00 C +ATOM 117 C SER A 32 -1.411 9.070 33.218 1.00 7.30 C +ATOM 118 O SER A 32 -1.049 8.637 34.333 1.00 6.61 O +ATOM 119 CB SER A 32 -3.732 8.245 32.788 1.00 4.39 C +ATOM 120 OG SER A 32 -4.250 9.572 32.968 1.00 7.28 O +ATOM 121 N LEU A 33 -1.013 10.253 32.753 1.00 6.62 N +ATOM 122 CA LEU A 33 -0.229 11.176 33.551 1.00 5.84 C +ATOM 123 C LEU A 33 -1.268 12.194 34.029 1.00 7.97 C +ATOM 124 O LEU A 33 -2.024 12.774 33.223 1.00 6.70 O +ATOM 125 CB LEU A 33 0.850 11.845 32.686 1.00 3.98 C +ATOM 126 CG LEU A 33 1.877 10.949 32.015 1.00 8.38 C +ATOM 127 CD1 LEU A 33 2.947 11.817 31.384 1.00 8.17 C +ATOM 128 CD2 LEU A 33 2.502 10.000 33.034 1.00 5.66 C +ATOM 129 N ASN A 34 -1.301 12.411 35.339 1.00 5.75 N +ATOM 130 CA ASN A 34 -2.300 13.252 35.969 1.00 6.32 C +ATOM 131 C ASN A 34 -1.690 14.393 36.774 1.00 8.28 C +ATOM 132 O ASN A 34 -0.745 14.196 37.559 1.00 9.69 O +ATOM 133 CB ASN A 34 -3.149 12.360 36.864 1.00 5.71 C +ATOM 134 CG ASN A 34 -4.348 13.009 37.529 1.00 8.23 C +ATOM 135 OD1 ASN A 34 -4.185 13.811 38.453 1.00 8.25 O +ATOM 136 ND2 ASN A 34 -5.584 12.734 37.098 1.00 5.85 N +ATOM 137 N SER A 35 -2.176 15.616 36.603 1.00 7.89 N +ATOM 138 CA SER A 35 -1.708 16.696 37.463 1.00 9.71 C +ATOM 139 C SER A 35 -2.974 17.348 37.997 1.00 8.95 C +ATOM 140 O SER A 35 -3.111 18.559 37.884 1.00 10.28 O +ATOM 141 CB SER A 35 -0.862 17.659 36.608 1.00 10.72 C +ATOM 142 OG SER A 35 -1.582 18.192 35.472 1.00 12.92 O +ATOM 143 N GLY A 38 -3.965 16.590 38.462 1.00 7.83 N +ATOM 144 CA GLY A 38 -5.275 17.130 38.853 1.00 7.40 C +ATOM 145 C GLY A 38 -6.339 16.771 37.804 1.00 8.53 C +ATOM 146 O GLY A 38 -7.544 16.893 38.012 1.00 11.03 O +ATOM 147 N TYR A 39 -5.866 16.275 36.655 1.00 7.71 N +ATOM 148 CA TYR A 39 -6.654 15.896 35.489 1.00 9.26 C +ATOM 149 C TYR A 39 -5.706 15.108 34.567 1.00 9.27 C +ATOM 150 O TYR A 39 -4.466 15.221 34.685 1.00 7.47 O +ATOM 151 CB TYR A 39 -7.168 17.155 34.743 1.00 10.50 C +ATOM 152 CG TYR A 39 -6.062 18.182 34.482 1.00 12.02 C +ATOM 153 CD1 TYR A 39 -5.786 19.157 35.456 1.00 14.15 C +ATOM 154 CD2 TYR A 39 -5.292 18.132 33.310 1.00 11.97 C +ATOM 155 CE1 TYR A 39 -4.747 20.063 35.271 1.00 14.40 C +ATOM 156 CE2 TYR A 39 -4.252 19.041 33.122 1.00 11.49 C +ATOM 157 CZ TYR A 39 -3.993 19.985 34.101 1.00 14.94 C +ATOM 158 OH TYR A 39 -2.927 20.846 33.904 1.00 18.35 O +ATOM 159 N HIS A 40 -6.247 14.293 33.660 1.00 8.97 N +ATOM 160 CA HIS A 40 -5.447 13.558 32.684 1.00 7.27 C +ATOM 161 C HIS A 40 -4.883 14.563 31.705 1.00 7.76 C +ATOM 162 O HIS A 40 -5.697 15.284 31.103 1.00 5.95 O +ATOM 163 CB HIS A 40 -6.302 12.557 31.877 1.00 7.01 C +ATOM 164 CG HIS A 40 -5.585 11.936 30.656 1.00 7.76 C +ATOM 165 ND1 HIS A 40 -4.736 10.919 30.622 1.00 8.26 N +ATOM 166 CD2 HIS A 40 -5.712 12.378 29.353 1.00 7.76 C +ATOM 167 CE1 HIS A 40 -4.343 10.717 29.385 1.00 9.80 C +ATOM 168 NE2 HIS A 40 -4.939 11.609 28.631 1.00 8.87 N +ATOM 169 N PHE A 41 -3.571 14.617 31.466 1.00 8.05 N +ATOM 170 CA PHE A 41 -3.066 15.507 30.430 1.00 7.51 C +ATOM 171 C PHE A 41 -2.218 14.792 29.369 1.00 9.02 C +ATOM 172 O PHE A 41 -1.970 15.362 28.316 1.00 7.09 O +ATOM 173 CB PHE A 41 -2.243 16.647 31.070 1.00 9.92 C +ATOM 174 CG PHE A 41 -0.937 16.275 31.751 1.00 8.81 C +ATOM 175 CD1 PHE A 41 -0.933 15.896 33.092 1.00 6.92 C +ATOM 176 CD2 PHE A 41 0.264 16.303 31.023 1.00 8.81 C +ATOM 177 CE1 PHE A 41 0.276 15.541 33.700 1.00 6.93 C +ATOM 178 CE2 PHE A 41 1.461 15.944 31.643 1.00 7.88 C +ATOM 179 CZ PHE A 41 1.468 15.563 32.979 1.00 8.64 C +ATOM 180 N CYS A 42 -1.763 13.549 29.563 1.00 7.79 N +ATOM 181 CA CYS A 42 -0.947 12.848 28.576 1.00 7.21 C +ATOM 182 C CYS A 42 -0.945 11.364 28.912 1.00 6.93 C +ATOM 183 O CYS A 42 -1.335 10.985 30.024 1.00 7.96 O +ATOM 184 CB CYS A 42 0.522 13.331 28.591 1.00 5.93 C +ATOM 185 SG CYS A 42 0.887 14.744 27.517 1.00 6.61 S +ATOM 186 N GLY A 43 -0.610 10.530 27.937 1.00 5.78 N +ATOM 187 CA GLY A 43 -0.469 9.110 28.165 1.00 3.84 C +ATOM 188 C GLY A 43 1.003 8.804 28.395 1.00 4.51 C +ATOM 189 O GLY A 43 1.878 9.696 28.381 1.00 4.70 O +ATOM 190 N GLY A 44 1.330 7.545 28.649 1.00 5.47 N +ATOM 191 CA GLY A 44 2.721 7.122 28.761 1.00 2.48 C +ATOM 192 C GLY A 44 2.732 5.615 28.671 1.00 5.74 C +ATOM 193 O GLY A 44 1.634 5.041 28.619 1.00 4.79 O +ATOM 194 N SER A 45 3.904 4.973 28.705 1.00 4.60 N +ATOM 195 CA SER A 45 4.017 3.514 28.654 1.00 7.17 C +ATOM 196 C SER A 45 4.909 3.051 29.794 1.00 7.98 C +ATOM 197 O SER A 45 5.997 3.623 29.999 1.00 8.66 O +ATOM 198 CB SER A 45 4.679 3.034 27.370 1.00 8.19 C +ATOM 199 OG SER A 45 3.981 3.511 26.249 1.00 11.90 O +ATOM 200 N LEU A 46 4.484 2.046 30.559 1.00 8.55 N +ATOM 201 CA LEU A 46 5.305 1.512 31.628 1.00 8.22 C +ATOM 202 C LEU A 46 6.376 0.607 31.018 1.00 11.25 C +ATOM 203 O LEU A 46 6.026 -0.370 30.336 1.00 11.59 O +ATOM 204 CB LEU A 46 4.408 0.729 32.570 1.00 9.72 C +ATOM 205 CG LEU A 46 5.029 0.260 33.879 1.00 7.34 C +ATOM 206 CD1 LEU A 46 5.283 1.455 34.798 1.00 9.20 C +ATOM 207 CD2 LEU A 46 4.095 -0.770 34.513 1.00 11.28 C +ATOM 208 N ILE A 47 7.681 0.842 31.213 1.00 11.24 N +ATOM 209 CA ILE A 47 8.691 -0.017 30.579 1.00 12.80 C +ATOM 210 C ILE A 47 9.415 -0.918 31.562 1.00 12.51 C +ATOM 211 O ILE A 47 10.263 -1.711 31.165 1.00 12.89 O +ATOM 212 CB ILE A 47 9.773 0.791 29.805 1.00 13.06 C +ATOM 213 CG1 ILE A 47 10.463 1.823 30.705 1.00 13.44 C +ATOM 214 CG2 ILE A 47 9.081 1.361 28.548 1.00 15.60 C +ATOM 215 CD1 ILE A 47 11.590 2.637 30.015 1.00 15.05 C +ATOM 216 N ASN A 48 9.176 -0.751 32.853 1.00 11.96 N +ATOM 217 CA ASN A 48 9.595 -1.708 33.876 1.00 13.64 C +ATOM 218 C ASN A 48 8.893 -1.269 35.142 1.00 14.14 C +ATOM 219 O ASN A 48 8.150 -0.280 35.053 1.00 15.15 O +ATOM 220 CB ASN A 48 11.115 -1.732 34.099 1.00 13.90 C +ATOM 221 CG ASN A 48 11.819 -0.502 34.635 1.00 16.33 C +ATOM 222 OD1 ASN A 48 11.349 0.289 35.455 1.00 20.66 O +ATOM 223 ND2 ASN A 48 13.041 -0.335 34.177 1.00 18.88 N +ATOM 224 N SER A 49 9.059 -1.865 36.331 1.00 12.74 N +ATOM 225 CA SER A 49 8.225 -1.470 37.456 1.00 11.21 C +ATOM 226 C SER A 49 8.455 -0.083 38.007 1.00 10.88 C +ATOM 227 O SER A 49 7.671 0.377 38.836 1.00 13.51 O +ATOM 228 CB SER A 49 8.388 -2.466 38.583 1.00 10.89 C +ATOM 229 OG SER A 49 9.760 -2.696 38.800 1.00 13.85 O +ATOM 230 N GLN A 50 9.505 0.635 37.648 1.00 10.18 N +ATOM 231 CA GLN A 50 9.677 1.942 38.220 1.00 10.41 C +ATOM 232 C GLN A 50 9.849 3.029 37.168 1.00 9.18 C +ATOM 233 O GLN A 50 10.012 4.192 37.546 1.00 10.38 O +ATOM 234 CB GLN A 50 10.871 1.853 39.173 1.00 14.04 C +ATOM 235 CG GLN A 50 10.615 2.808 40.323 1.00 20.73 C +ATOM 236 CD GLN A 50 11.521 2.651 41.530 1.00 23.07 C +ATOM 237 OE1 GLN A 50 12.426 1.809 41.572 1.00 25.54 O +ATOM 238 NE2 GLN A 50 11.305 3.506 42.527 1.00 21.99 N +ATOM 239 N TRP A 51 9.784 2.758 35.855 1.00 7.28 N +ATOM 240 CA TRP A 51 10.003 3.797 34.858 1.00 5.58 C +ATOM 241 C TRP A 51 8.914 3.878 33.804 1.00 5.78 C +ATOM 242 O TRP A 51 8.378 2.858 33.360 1.00 4.27 O +ATOM 243 CB TRP A 51 11.335 3.555 34.163 1.00 4.96 C +ATOM 244 CG TRP A 51 12.525 3.883 35.059 1.00 6.50 C +ATOM 245 CD1 TRP A 51 13.095 2.958 35.896 1.00 9.19 C +ATOM 246 CD2 TRP A 51 13.155 5.102 35.106 1.00 7.93 C +ATOM 247 NE1 TRP A 51 14.104 3.591 36.474 1.00 9.77 N +ATOM 248 CE2 TRP A 51 14.180 4.863 36.033 1.00 9.21 C +ATOM 249 CE3 TRP A 51 13.023 6.360 34.508 1.00 8.51 C +ATOM 250 CZ2 TRP A 51 15.082 5.878 36.367 1.00 8.90 C +ATOM 251 CZ3 TRP A 51 13.926 7.367 34.846 1.00 10.87 C +ATOM 252 CH2 TRP A 51 14.950 7.129 35.769 1.00 10.75 C +ATOM 253 N VAL A 52 8.575 5.096 33.394 1.00 4.44 N +ATOM 254 CA VAL A 52 7.545 5.358 32.382 1.00 6.03 C +ATOM 255 C VAL A 52 8.198 6.161 31.265 1.00 5.25 C +ATOM 256 O VAL A 52 9.047 7.015 31.555 1.00 4.42 O +ATOM 257 CB VAL A 52 6.374 6.169 33.026 1.00 7.30 C +ATOM 258 CG1 VAL A 52 5.493 6.889 31.984 1.00 7.04 C +ATOM 259 CG2 VAL A 52 5.517 5.184 33.818 1.00 8.08 C +ATOM 260 N VAL A 53 7.869 5.880 29.994 1.00 4.56 N +ATOM 261 CA VAL A 53 8.370 6.724 28.916 1.00 6.49 C +ATOM 262 C VAL A 53 7.171 7.499 28.364 1.00 6.77 C +ATOM 263 O VAL A 53 6.046 6.967 28.324 1.00 6.75 O +ATOM 264 CB VAL A 53 9.070 5.817 27.852 1.00 9.69 C +ATOM 265 CG1 VAL A 53 8.093 4.839 27.262 1.00 13.83 C +ATOM 266 CG2 VAL A 53 9.633 6.662 26.729 1.00 13.86 C +ATOM 267 N SER A 54 7.342 8.788 28.056 1.00 3.22 N +ATOM 268 CA SER A 54 6.262 9.576 27.497 1.00 2.91 C +ATOM 269 C SER A 54 6.911 10.552 26.536 1.00 4.02 C +ATOM 270 O SER A 54 8.083 10.402 26.163 1.00 5.32 O +ATOM 271 CB SER A 54 5.533 10.307 28.626 1.00 2.00 C +ATOM 272 OG SER A 54 4.354 11.003 28.159 1.00 2.53 O +ATOM 273 N ALA A 55 6.183 11.580 26.107 1.00 4.19 N +ATOM 274 CA ALA A 55 6.670 12.595 25.185 1.00 3.54 C +ATOM 275 C ALA A 55 7.236 13.753 26.005 1.00 5.28 C +ATOM 276 O ALA A 55 6.664 14.176 27.025 1.00 4.33 O +ATOM 277 CB ALA A 55 5.519 13.129 24.323 1.00 3.55 C +ATOM 278 N ALA A 56 8.357 14.327 25.563 1.00 4.69 N +ATOM 279 CA ALA A 56 8.982 15.430 26.280 1.00 4.49 C +ATOM 280 C ALA A 56 8.059 16.644 26.271 1.00 5.36 C +ATOM 281 O ALA A 56 8.073 17.419 27.237 1.00 3.18 O +ATOM 282 CB ALA A 56 10.273 15.842 25.625 1.00 2.00 C +ATOM 283 N HIS A 57 7.214 16.858 25.236 1.00 5.47 N +ATOM 284 CA HIS A 57 6.272 17.965 25.280 1.00 5.68 C +ATOM 285 C HIS A 57 5.177 17.751 26.321 1.00 7.17 C +ATOM 286 O HIS A 57 4.359 18.646 26.516 1.00 9.44 O +ATOM 287 CB HIS A 57 5.620 18.223 23.908 1.00 7.52 C +ATOM 288 CG HIS A 57 4.463 17.376 23.378 1.00 8.58 C +ATOM 289 ND1 HIS A 57 4.497 16.432 22.429 1.00 11.33 N +ATOM 290 CD2 HIS A 57 3.136 17.524 23.734 1.00 9.25 C +ATOM 291 CE1 HIS A 57 3.270 16.009 22.195 1.00 10.10 C +ATOM 292 NE2 HIS A 57 2.468 16.680 22.991 1.00 10.91 N +ATOM 293 N CYS A 58 5.085 16.616 26.996 1.00 6.40 N +ATOM 294 CA CYS A 58 4.150 16.422 28.088 1.00 9.26 C +ATOM 295 C CYS A 58 4.784 16.837 29.426 1.00 11.43 C +ATOM 296 O CYS A 58 4.157 16.681 30.480 1.00 13.17 O +ATOM 297 CB CYS A 58 3.783 14.972 28.195 1.00 7.29 C +ATOM 298 SG CYS A 58 2.752 14.415 26.835 1.00 6.61 S +ATOM 299 N TYR A 59 6.025 17.324 29.470 1.00 10.42 N +ATOM 300 CA TYR A 59 6.678 17.610 30.733 1.00 10.20 C +ATOM 301 C TYR A 59 5.936 18.662 31.557 1.00 12.98 C +ATOM 302 O TYR A 59 5.569 19.721 31.031 1.00 12.10 O +ATOM 303 CB TYR A 59 8.141 18.054 30.445 1.00 10.51 C +ATOM 304 CG TYR A 59 8.793 18.699 31.671 1.00 9.34 C +ATOM 305 CD1 TYR A 59 9.340 17.971 32.745 1.00 10.74 C +ATOM 306 CD2 TYR A 59 8.716 20.086 31.729 1.00 12.71 C +ATOM 307 CE1 TYR A 59 9.792 18.667 33.874 1.00 11.58 C +ATOM 308 CE2 TYR A 59 9.164 20.767 32.848 1.00 14.07 C +ATOM 309 CZ TYR A 59 9.693 20.068 33.904 1.00 15.04 C +ATOM 310 OH TYR A 59 10.036 20.886 34.968 1.00 22.15 O +ATOM 311 N LYS A 60 5.792 18.375 32.864 1.00 12.48 N +ATOM 312 CA LYS A 60 5.191 19.258 33.855 1.00 14.62 C +ATOM 313 C LYS A 60 5.850 18.916 35.173 1.00 15.96 C +ATOM 314 O LYS A 60 6.300 17.771 35.324 1.00 15.86 O +ATOM 315 CB LYS A 60 3.731 18.992 34.137 1.00 15.81 C +ATOM 316 CG LYS A 60 2.748 19.333 33.083 1.00 20.08 C +ATOM 317 CD LYS A 60 1.428 19.319 33.786 1.00 19.30 C +ATOM 318 CE LYS A 60 0.402 19.678 32.762 1.00 22.27 C +ATOM 319 NZ LYS A 60 -0.875 19.589 33.423 1.00 25.56 N +ATOM 320 N SER A 61 5.910 19.798 36.175 1.00 18.43 N +ATOM 321 CA SER A 61 6.362 19.353 37.496 1.00 19.97 C +ATOM 322 C SER A 61 5.139 18.772 38.191 1.00 19.95 C +ATOM 323 O SER A 61 4.009 19.089 37.806 1.00 21.59 O +ATOM 324 CB SER A 61 6.890 20.522 38.297 1.00 22.00 C +ATOM 325 OG SER A 61 6.022 21.651 38.155 1.00 25.49 O +ATOM 326 N GLY A 62 5.239 17.901 39.185 1.00 21.68 N +ATOM 327 CA GLY A 62 4.036 17.448 39.895 1.00 21.33 C +ATOM 328 C GLY A 62 3.194 16.389 39.176 1.00 21.27 C +ATOM 329 O GLY A 62 1.959 16.375 39.270 1.00 23.70 O +ATOM 330 N ILE A 63 3.843 15.428 38.531 1.00 18.59 N +ATOM 331 CA ILE A 63 3.136 14.401 37.787 1.00 15.65 C +ATOM 332 C ILE A 63 2.782 13.259 38.733 1.00 15.27 C +ATOM 333 O ILE A 63 3.616 12.790 39.535 1.00 13.81 O +ATOM 334 CB ILE A 63 4.061 13.892 36.628 1.00 16.10 C +ATOM 335 CG1 ILE A 63 4.309 15.010 35.626 1.00 16.48 C +ATOM 336 CG2 ILE A 63 3.450 12.679 35.947 1.00 16.59 C +ATOM 337 CD1 ILE A 63 5.310 14.707 34.454 1.00 13.98 C +ATOM 338 N GLN A 64 1.549 12.774 38.661 1.00 12.80 N +ATOM 339 CA GLN A 64 1.181 11.560 39.359 1.00 10.32 C +ATOM 340 C GLN A 64 0.914 10.546 38.246 1.00 9.09 C +ATOM 341 O GLN A 64 0.125 10.857 37.346 1.00 11.39 O +ATOM 342 CB GLN A 64 -0.079 11.767 40.179 1.00 11.32 C +ATOM 343 CG GLN A 64 -0.331 10.458 40.905 1.00 11.81 C +ATOM 344 CD GLN A 64 -1.638 10.399 41.664 1.00 14.97 C +ATOM 345 OE1 GLN A 64 -1.673 10.112 42.854 1.00 19.59 O +ATOM 346 NE2 GLN A 64 -2.785 10.698 41.110 1.00 10.63 N +ATOM 347 N VAL A 65 1.509 9.353 38.266 1.00 8.87 N +ATOM 348 CA VAL A 65 1.310 8.346 37.222 1.00 9.77 C +ATOM 349 C VAL A 65 0.161 7.423 37.644 1.00 10.85 C +ATOM 350 O VAL A 65 0.155 6.918 38.785 1.00 10.92 O +ATOM 351 CB VAL A 65 2.606 7.551 37.046 1.00 9.79 C +ATOM 352 CG1 VAL A 65 2.428 6.397 36.049 1.00 10.13 C +ATOM 353 CG2 VAL A 65 3.679 8.494 36.528 1.00 9.72 C +ATOM 354 N ARG A 66 -0.816 7.184 36.757 1.00 8.24 N +ATOM 355 CA ARG A 66 -1.955 6.370 37.114 1.00 6.90 C +ATOM 356 C ARG A 66 -1.952 5.156 36.205 1.00 8.85 C +ATOM 357 O ARG A 66 -2.052 5.276 34.977 1.00 6.50 O +ATOM 358 CB ARG A 66 -3.214 7.202 36.948 1.00 7.27 C +ATOM 359 CG ARG A 66 -3.236 8.406 37.910 1.00 6.78 C +ATOM 360 CD ARG A 66 -4.618 9.080 37.976 1.00 8.13 C +ATOM 361 NE ARG A 66 -4.740 9.802 39.245 1.00 9.71 N +ATOM 362 CZ ARG A 66 -5.911 9.938 39.877 1.00 14.18 C +ATOM 363 NH1 ARG A 66 -7.043 9.458 39.340 1.00 13.91 N +ATOM 364 NH2 ARG A 66 -5.922 10.478 41.103 1.00 13.97 N +ATOM 365 N LEU A 67 -1.726 4.003 36.837 1.00 8.49 N +ATOM 366 CA LEU A 67 -1.595 2.709 36.180 1.00 9.07 C +ATOM 367 C LEU A 67 -2.851 1.888 36.364 1.00 9.37 C +ATOM 368 O LEU A 67 -3.606 2.124 37.302 1.00 10.81 O +ATOM 369 CB LEU A 67 -0.432 1.920 36.771 1.00 9.63 C +ATOM 370 CG LEU A 67 0.964 2.565 36.791 1.00 14.66 C +ATOM 371 CD1 LEU A 67 1.168 3.393 38.028 1.00 15.87 C +ATOM 372 CD2 LEU A 67 2.019 1.512 36.963 1.00 17.98 C +ATOM 373 N GLY A 69 -3.088 0.867 35.543 1.00 8.78 N +ATOM 374 CA GLY A 69 -4.245 -0.012 35.692 1.00 9.14 C +ATOM 375 C GLY A 69 -5.585 0.683 35.446 1.00 11.24 C +ATOM 376 O GLY A 69 -6.635 0.215 35.932 1.00 9.57 O +ATOM 377 N GLU A 70 -5.573 1.781 34.682 1.00 8.49 N +ATOM 378 CA GLU A 70 -6.783 2.539 34.383 1.00 8.26 C +ATOM 379 C GLU A 70 -7.621 2.058 33.204 1.00 9.49 C +ATOM 380 O GLU A 70 -7.107 1.588 32.180 1.00 8.48 O +ATOM 381 CB GLU A 70 -6.410 4.003 34.108 1.00 8.67 C +ATOM 382 CG GLU A 70 -6.015 4.843 35.332 1.00 8.04 C +ATOM 383 CD GLU A 70 -7.206 5.304 36.150 1.00 11.14 C +ATOM 384 OE1 GLU A 70 -8.315 4.778 36.003 1.00 13.14 O +ATOM 385 OE2 GLU A 70 -7.087 6.241 36.929 1.00 10.46 O +ATOM 386 N ASP A 71 -8.935 2.181 33.337 1.00 7.64 N +ATOM 387 CA ASP A 71 -9.769 2.058 32.165 1.00 8.90 C +ATOM 388 C ASP A 71 -10.610 3.324 32.197 1.00 9.89 C +ATOM 389 O ASP A 71 -10.275 4.296 31.513 1.00 9.97 O +ATOM 390 CB ASP A 71 -10.698 0.841 32.182 1.00 8.14 C +ATOM 391 CG ASP A 71 -11.383 0.731 30.818 1.00 12.07 C +ATOM 392 OD1 ASP A 71 -10.762 1.006 29.783 1.00 8.99 O +ATOM 393 OD2 ASP A 71 -12.542 0.347 30.763 1.00 9.28 O +ATOM 394 N ASN A 72 -11.657 3.418 33.019 1.00 7.71 N +ATOM 395 CA ASN A 72 -12.361 4.666 33.106 1.00 8.11 C +ATOM 396 C ASN A 72 -11.518 5.588 33.991 1.00 8.32 C +ATOM 397 O ASN A 72 -11.278 5.305 35.193 1.00 8.80 O +ATOM 398 CB ASN A 72 -13.737 4.450 33.721 1.00 7.20 C +ATOM 399 CG ASN A 72 -14.580 5.693 33.565 1.00 11.02 C +ATOM 400 OD1 ASN A 72 -14.149 6.797 33.922 1.00 11.16 O +ATOM 401 ND2 ASN A 72 -15.787 5.607 33.055 1.00 9.84 N +ATOM 402 N ILE A 73 -10.992 6.677 33.443 1.00 6.52 N +ATOM 403 CA ILE A 73 -10.183 7.591 34.262 1.00 8.91 C +ATOM 404 C ILE A 73 -10.978 8.487 35.218 1.00 8.78 C +ATOM 405 O ILE A 73 -10.368 9.213 36.022 1.00 8.70 O +ATOM 406 CB ILE A 73 -9.301 8.548 33.415 1.00 11.34 C +ATOM 407 CG1 ILE A 73 -10.150 9.298 32.392 1.00 10.19 C +ATOM 408 CG2 ILE A 73 -8.153 7.727 32.811 1.00 11.43 C +ATOM 409 CD1 ILE A 73 -9.264 10.351 31.689 1.00 15.06 C +ATOM 410 N ASN A 74 -12.308 8.496 35.165 1.00 6.19 N +ATOM 411 CA ASN A 74 -13.103 9.276 36.095 1.00 7.72 C +ATOM 412 C ASN A 74 -13.725 8.431 37.182 1.00 7.71 C +ATOM 413 O ASN A 74 -14.399 8.958 38.065 1.00 6.92 O +ATOM 414 CB ASN A 74 -14.213 10.029 35.325 1.00 8.25 C +ATOM 415 CG ASN A 74 -13.716 11.365 34.774 1.00 10.17 C +ATOM 416 OD1 ASN A 74 -12.888 12.048 35.405 1.00 10.51 O +ATOM 417 ND2 ASN A 74 -14.144 11.798 33.596 1.00 9.79 N +ATOM 418 N VAL A 75 -13.538 7.105 37.167 1.00 8.74 N +ATOM 419 CA VAL A 75 -14.182 6.225 38.147 1.00 8.18 C +ATOM 420 C VAL A 75 -13.138 5.264 38.719 1.00 9.05 C +ATOM 421 O VAL A 75 -12.244 4.811 37.991 1.00 7.97 O +ATOM 422 CB VAL A 75 -15.340 5.433 37.443 1.00 11.52 C +ATOM 423 CG1 VAL A 75 -16.099 4.554 38.441 1.00 11.32 C +ATOM 424 CG2 VAL A 75 -16.353 6.407 36.860 1.00 8.79 C +ATOM 425 N VAL A 76 -13.133 4.984 40.021 1.00 11.53 N +ATOM 426 CA VAL A 76 -12.203 4.050 40.627 1.00 11.22 C +ATOM 427 C VAL A 76 -12.907 2.720 40.452 1.00 13.13 C +ATOM 428 O VAL A 76 -14.030 2.520 40.939 1.00 13.76 O +ATOM 429 CB VAL A 76 -11.980 4.420 42.114 1.00 13.13 C +ATOM 430 CG1 VAL A 76 -11.225 3.338 42.846 1.00 12.56 C +ATOM 431 CG2 VAL A 76 -11.099 5.661 42.182 1.00 10.33 C +ATOM 432 N GLU A 77 -12.247 1.834 39.716 1.00 13.08 N +ATOM 433 CA GLU A 77 -12.837 0.559 39.361 1.00 14.45 C +ATOM 434 C GLU A 77 -12.125 -0.598 40.035 1.00 17.04 C +ATOM 435 O GLU A 77 -12.564 -1.741 39.903 1.00 18.94 O +ATOM 436 CB GLU A 77 -12.796 0.363 37.848 1.00 15.00 C +ATOM 437 CG GLU A 77 -13.662 1.418 37.160 1.00 17.09 C +ATOM 438 CD GLU A 77 -13.626 1.367 35.652 1.00 18.53 C +ATOM 439 OE1 GLU A 77 -12.542 1.462 35.093 1.00 17.49 O +ATOM 440 OE2 GLU A 77 -14.671 1.306 35.025 1.00 19.88 O +ATOM 441 N GLY A 78 -10.997 -0.394 40.713 1.00 17.96 N +ATOM 442 CA GLY A 78 -10.383 -1.462 41.471 1.00 19.65 C +ATOM 443 C GLY A 78 -9.026 -1.917 40.976 1.00 20.98 C +ATOM 444 O GLY A 78 -8.340 -2.576 41.754 1.00 21.63 O +ATOM 445 N ASN A 79 -8.569 -1.679 39.746 1.00 19.27 N +ATOM 446 CA ASN A 79 -7.230 -2.152 39.394 1.00 19.71 C +ATOM 447 C ASN A 79 -6.150 -1.073 39.379 1.00 16.33 C +ATOM 448 O ASN A 79 -5.019 -1.320 38.950 1.00 13.26 O +ATOM 449 CB ASN A 79 -7.238 -2.819 38.018 1.00 24.63 C +ATOM 450 CG ASN A 79 -7.853 -4.197 38.080 1.00 28.25 C +ATOM 451 OD1 ASN A 79 -7.246 -5.170 38.513 1.00 32.15 O +ATOM 452 ND2 ASN A 79 -9.083 -4.357 37.632 1.00 31.63 N +ATOM 453 N GLU A 80 -6.456 0.128 39.849 1.00 13.89 N +ATOM 454 CA GLU A 80 -5.533 1.237 39.710 1.00 12.27 C +ATOM 455 C GLU A 80 -4.418 1.248 40.735 1.00 11.58 C +ATOM 456 O GLU A 80 -4.562 0.720 41.837 1.00 13.12 O +ATOM 457 CB GLU A 80 -6.268 2.545 39.824 1.00 10.97 C +ATOM 458 CG GLU A 80 -7.408 2.766 38.841 1.00 9.90 C +ATOM 459 CD GLU A 80 -8.795 2.357 39.291 1.00 14.60 C +ATOM 460 OE1 GLU A 80 -8.985 1.575 40.230 1.00 10.87 O +ATOM 461 OE2 GLU A 80 -9.746 2.792 38.639 1.00 11.94 O +ATOM 462 N GLN A 81 -3.288 1.837 40.358 1.00 11.63 N +ATOM 463 CA GLN A 81 -2.171 2.121 41.256 1.00 10.54 C +ATOM 464 C GLN A 81 -1.839 3.556 40.901 1.00 10.97 C +ATOM 465 O GLN A 81 -1.648 3.850 39.705 1.00 11.50 O +ATOM 466 CB GLN A 81 -0.959 1.267 40.970 1.00 12.21 C +ATOM 467 CG GLN A 81 -1.245 -0.197 41.202 1.00 13.91 C +ATOM 468 CD GLN A 81 -0.061 -1.098 40.904 1.00 15.67 C +ATOM 469 OE1 GLN A 81 1.080 -0.869 41.338 1.00 17.32 O +ATOM 470 NE2 GLN A 81 -0.316 -2.182 40.202 1.00 12.85 N +ATOM 471 N PHE A 82 -1.811 4.489 41.854 1.00 10.03 N +ATOM 472 CA PHE A 82 -1.501 5.887 41.592 1.00 10.36 C +ATOM 473 C PHE A 82 -0.184 6.070 42.328 1.00 11.07 C +ATOM 474 O PHE A 82 -0.114 5.844 43.543 1.00 13.28 O +ATOM 475 CB PHE A 82 -2.545 6.824 42.198 1.00 11.74 C +ATOM 476 CG PHE A 82 -3.997 6.624 41.767 1.00 13.43 C +ATOM 477 CD1 PHE A 82 -4.329 6.068 40.526 1.00 14.47 C +ATOM 478 CD2 PHE A 82 -5.012 7.060 42.621 1.00 14.83 C +ATOM 479 CE1 PHE A 82 -5.663 5.956 40.141 1.00 15.25 C +ATOM 480 CE2 PHE A 82 -6.347 6.938 42.221 1.00 17.16 C +ATOM 481 CZ PHE A 82 -6.676 6.391 40.987 1.00 13.63 C +ATOM 482 N ILE A 83 0.888 6.403 41.623 1.00 8.04 N +ATOM 483 CA ILE A 83 2.222 6.537 42.206 1.00 9.33 C +ATOM 484 C ILE A 83 2.779 7.889 41.760 1.00 9.89 C +ATOM 485 O ILE A 83 2.738 8.195 40.559 1.00 9.46 O +ATOM 486 CB ILE A 83 3.087 5.360 41.685 1.00 10.99 C +ATOM 487 CG1 ILE A 83 2.420 4.027 42.008 1.00 10.83 C +ATOM 488 CG2 ILE A 83 4.469 5.420 42.317 1.00 14.41 C +ATOM 489 CD1 ILE A 83 3.037 2.794 41.371 1.00 10.85 C +ATOM 490 N SER A 84 3.333 8.760 42.601 1.00 8.40 N +ATOM 491 CA SER A 84 3.837 10.021 42.075 1.00 9.67 C +ATOM 492 C SER A 84 5.244 9.872 41.480 1.00 8.48 C +ATOM 493 O SER A 84 5.986 8.951 41.836 1.00 10.23 O +ATOM 494 CB SER A 84 3.841 11.100 43.181 1.00 13.64 C +ATOM 495 OG SER A 84 4.570 10.741 44.349 1.00 23.21 O +ATOM 496 N ALA A 85 5.624 10.757 40.565 1.00 7.83 N +ATOM 497 CA ALA A 85 6.934 10.737 39.943 1.00 10.23 C +ATOM 498 C ALA A 85 8.017 11.271 40.889 1.00 11.25 C +ATOM 499 O ALA A 85 7.738 12.167 41.704 1.00 11.11 O +ATOM 500 CB ALA A 85 6.887 11.588 38.695 1.00 9.85 C +ATOM 501 N SER A 86 9.231 10.729 40.924 1.00 11.98 N +ATOM 502 CA SER A 86 10.273 11.256 41.776 1.00 12.93 C +ATOM 503 C SER A 86 11.234 12.067 40.929 1.00 14.20 C +ATOM 504 O SER A 86 11.826 13.027 41.443 1.00 14.54 O +ATOM 505 CB SER A 86 11.021 10.119 42.455 1.00 14.12 C +ATOM 506 OG SER A 86 11.525 9.159 41.539 1.00 14.33 O +ATOM 507 N LYS A 87 11.392 11.721 39.645 1.00 11.94 N +ATOM 508 CA LYS A 87 12.305 12.425 38.746 1.00 13.97 C +ATOM 509 C LYS A 87 11.703 12.375 37.346 1.00 12.48 C +ATOM 510 O LYS A 87 11.099 11.358 36.967 1.00 15.34 O +ATOM 511 CB LYS A 87 13.689 11.776 38.555 1.00 15.34 C +ATOM 512 CG LYS A 87 14.415 11.285 39.766 1.00 24.05 C +ATOM 513 CD LYS A 87 15.760 10.679 39.383 1.00 28.45 C +ATOM 514 CE LYS A 87 16.277 9.998 40.656 1.00 30.50 C +ATOM 515 NZ LYS A 87 17.617 9.453 40.521 1.00 31.15 N +ATOM 516 N SER A 88 11.881 13.442 36.583 1.00 10.99 N +ATOM 517 CA SER A 88 11.537 13.473 35.173 1.00 11.18 C +ATOM 518 C SER A 88 12.816 13.795 34.418 1.00 10.34 C +ATOM 519 O SER A 88 13.589 14.633 34.891 1.00 10.77 O +ATOM 520 CB SER A 88 10.515 14.543 34.941 1.00 14.58 C +ATOM 521 OG SER A 88 9.299 14.142 35.555 1.00 19.75 O +ATOM 522 N ILE A 89 13.140 13.166 33.285 1.00 7.43 N +ATOM 523 CA ILE A 89 14.352 13.433 32.529 1.00 6.45 C +ATOM 524 C ILE A 89 13.928 13.639 31.085 1.00 6.83 C +ATOM 525 O ILE A 89 13.542 12.699 30.396 1.00 7.22 O +ATOM 526 CB ILE A 89 15.321 12.241 32.637 1.00 6.02 C +ATOM 527 CG1 ILE A 89 15.788 12.127 34.085 1.00 9.32 C +ATOM 528 CG2 ILE A 89 16.516 12.423 31.687 1.00 6.06 C +ATOM 529 CD1 ILE A 89 16.304 10.744 34.504 1.00 7.92 C +ATOM 530 N VAL A 90 13.954 14.865 30.591 1.00 6.48 N +ATOM 531 CA VAL A 90 13.588 15.115 29.196 1.00 6.18 C +ATOM 532 C VAL A 90 14.838 14.794 28.387 1.00 6.82 C +ATOM 533 O VAL A 90 15.958 14.970 28.895 1.00 7.18 O +ATOM 534 CB VAL A 90 13.163 16.597 29.078 1.00 5.96 C +ATOM 535 CG1 VAL A 90 13.081 17.091 27.620 1.00 2.00 C +ATOM 536 CG2 VAL A 90 11.801 16.709 29.744 1.00 6.44 C +ATOM 537 N HIS A 91 14.689 14.282 27.162 1.00 5.64 N +ATOM 538 CA HIS A 91 15.832 13.966 26.320 1.00 5.80 C +ATOM 539 C HIS A 91 16.774 15.166 26.212 1.00 7.61 C +ATOM 540 O HIS A 91 16.295 16.288 26.007 1.00 7.65 O +ATOM 541 CB HIS A 91 15.378 13.584 24.906 1.00 5.71 C +ATOM 542 CG HIS A 91 16.537 13.019 24.100 1.00 6.55 C +ATOM 543 ND1 HIS A 91 17.419 13.655 23.315 1.00 7.39 N +ATOM 544 CD2 HIS A 91 16.886 11.688 24.121 1.00 6.09 C +ATOM 545 CE1 HIS A 91 18.282 12.755 22.879 1.00 6.79 C +ATOM 546 NE2 HIS A 91 17.952 11.588 23.371 1.00 8.62 N +ATOM 547 N PRO A 92 18.103 15.026 26.298 1.00 8.03 N +ATOM 548 CA PRO A 92 18.994 16.170 26.294 1.00 9.77 C +ATOM 549 C PRO A 92 18.919 17.015 25.021 1.00 9.17 C +ATOM 550 O PRO A 92 19.216 18.207 25.086 1.00 8.76 O +ATOM 551 CB PRO A 92 20.374 15.555 26.581 1.00 9.19 C +ATOM 552 CG PRO A 92 20.219 14.095 26.291 1.00 12.21 C +ATOM 553 CD PRO A 92 18.807 13.842 26.797 1.00 8.29 C +ATOM 554 N SER A 93 18.574 16.418 23.874 1.00 9.50 N +ATOM 555 CA SER A 93 18.422 17.184 22.635 1.00 9.40 C +ATOM 556 C SER A 93 16.995 17.497 22.215 1.00 8.26 C +ATOM 557 O SER A 93 16.740 17.785 21.039 1.00 7.69 O +ATOM 558 CB SER A 93 19.119 16.435 21.517 1.00 11.09 C +ATOM 559 OG SER A 93 20.403 16.073 21.991 1.00 16.72 O +ATOM 560 N TYR A 94 16.033 17.470 23.150 1.00 6.65 N +ATOM 561 CA TYR A 94 14.677 17.803 22.786 1.00 6.61 C +ATOM 562 C TYR A 94 14.626 19.242 22.287 1.00 7.29 C +ATOM 563 O TYR A 94 15.138 20.146 22.963 1.00 7.12 O +ATOM 564 CB TYR A 94 13.740 17.654 23.995 1.00 3.45 C +ATOM 565 CG TYR A 94 12.335 18.202 23.743 1.00 3.47 C +ATOM 566 CD1 TYR A 94 11.572 17.732 22.652 1.00 4.33 C +ATOM 567 CD2 TYR A 94 11.802 19.159 24.598 1.00 4.32 C +ATOM 568 CE1 TYR A 94 10.282 18.223 22.422 1.00 5.30 C +ATOM 569 CE2 TYR A 94 10.498 19.656 24.378 1.00 6.34 C +ATOM 570 CZ TYR A 94 9.762 19.181 23.290 1.00 5.80 C +ATOM 571 OH TYR A 94 8.493 19.664 23.058 1.00 5.91 O +ATOM 572 N ASN A 95 14.056 19.441 21.094 1.00 7.28 N +ATOM 573 CA ASN A 95 13.850 20.776 20.564 1.00 7.05 C +ATOM 574 C ASN A 95 12.342 21.066 20.483 1.00 7.91 C +ATOM 575 O ASN A 95 11.624 20.509 19.631 1.00 8.93 O +ATOM 576 CB ASN A 95 14.470 20.852 19.192 1.00 11.02 C +ATOM 577 CG ASN A 95 14.406 22.242 18.575 1.00 13.30 C +ATOM 578 OD1 ASN A 95 13.467 23.007 18.751 1.00 16.22 O +ATOM 579 ND2 ASN A 95 15.383 22.612 17.769 1.00 15.55 N +ATOM 580 N SER A 96 11.788 21.943 21.323 1.00 5.41 N +ATOM 581 CA SER A 96 10.348 22.171 21.307 1.00 7.96 C +ATOM 582 C SER A 96 9.825 22.870 20.047 1.00 8.69 C +ATOM 583 O SER A 96 8.615 22.897 19.736 1.00 12.44 O +ATOM 584 CB SER A 96 9.979 22.968 22.546 1.00 11.21 C +ATOM 585 OG SER A 96 10.609 24.247 22.585 1.00 13.46 O +ATOM 586 N ASN A 97 10.709 23.462 19.264 1.00 8.23 N +ATOM 587 CA ASN A 97 10.276 24.100 18.040 1.00 11.35 C +ATOM 588 C ASN A 97 10.083 23.129 16.886 1.00 13.62 C +ATOM 589 O ASN A 97 9.071 23.258 16.169 1.00 15.13 O +ATOM 590 CB ASN A 97 11.273 25.156 17.658 1.00 12.15 C +ATOM 591 CG ASN A 97 11.166 26.339 18.614 1.00 14.08 C +ATOM 592 OD1 ASN A 97 12.174 26.992 18.841 1.00 16.60 O +ATOM 593 ND2 ASN A 97 10.020 26.734 19.168 1.00 10.56 N +ATOM 594 N THR A 98 10.962 22.131 16.757 1.00 10.34 N +ATOM 595 CA THR A 98 10.868 21.132 15.706 1.00 10.66 C +ATOM 596 C THR A 98 10.209 19.833 16.147 1.00 10.28 C +ATOM 597 O THR A 98 9.749 19.041 15.325 1.00 11.01 O +ATOM 598 CB THR A 98 12.278 20.840 15.178 1.00 12.14 C +ATOM 599 OG1 THR A 98 13.067 20.325 16.255 1.00 10.76 O +ATOM 600 CG2 THR A 98 12.936 22.103 14.626 1.00 13.37 C +ATOM 601 N LEU A 99 10.185 19.619 17.471 1.00 8.66 N +ATOM 602 CA LEU A 99 9.726 18.421 18.175 1.00 8.81 C +ATOM 603 C LEU A 99 10.630 17.234 17.888 1.00 7.48 C +ATOM 604 O LEU A 99 10.301 16.067 18.073 1.00 9.33 O +ATOM 605 CB LEU A 99 8.266 18.099 17.813 1.00 11.04 C +ATOM 606 CG LEU A 99 7.284 19.115 18.409 1.00 11.83 C +ATOM 607 CD1 LEU A 99 5.921 18.751 17.945 1.00 11.83 C +ATOM 608 CD2 LEU A 99 7.228 19.061 19.909 1.00 10.56 C +ATOM 609 N ASN A 100 11.869 17.513 17.475 1.00 6.60 N +ATOM 610 CA ASN A 100 12.833 16.450 17.285 1.00 6.17 C +ATOM 611 C ASN A 100 13.198 15.958 18.686 1.00 6.80 C +ATOM 612 O ASN A 100 13.349 16.778 19.605 1.00 6.89 O +ATOM 613 CB ASN A 100 14.082 16.967 16.616 1.00 8.51 C +ATOM 614 CG ASN A 100 14.972 15.860 16.069 1.00 6.92 C +ATOM 615 OD1 ASN A 100 14.581 14.711 15.841 1.00 9.61 O +ATOM 616 ND2 ASN A 100 16.204 16.188 15.779 1.00 8.43 N +ATOM 617 N ASN A 101 13.285 14.633 18.851 1.00 4.60 N +ATOM 618 CA ASN A 101 13.604 13.993 20.123 1.00 5.14 C +ATOM 619 C ASN A 101 12.550 14.236 21.200 1.00 5.41 C +ATOM 620 O ASN A 101 12.853 14.474 22.381 1.00 6.52 O +ATOM 621 CB ASN A 101 14.947 14.460 20.665 1.00 6.50 C +ATOM 622 CG ASN A 101 16.091 14.327 19.686 1.00 6.08 C +ATOM 623 OD1 ASN A 101 16.739 15.310 19.343 1.00 11.92 O +ATOM 624 ND2 ASN A 101 16.454 13.164 19.199 1.00 3.39 N +ATOM 625 N ASP A 102 11.289 14.085 20.812 1.00 2.50 N +ATOM 626 CA ASP A 102 10.185 14.266 21.742 1.00 3.39 C +ATOM 627 C ASP A 102 9.963 13.022 22.608 1.00 4.83 C +ATOM 628 O ASP A 102 9.118 12.153 22.355 1.00 4.45 O +ATOM 629 CB ASP A 102 8.944 14.616 20.923 1.00 2.00 C +ATOM 630 CG ASP A 102 7.756 15.041 21.761 1.00 3.47 C +ATOM 631 OD1 ASP A 102 7.882 15.306 22.950 1.00 3.49 O +ATOM 632 OD2 ASP A 102 6.648 15.099 21.242 1.00 4.01 O +ATOM 633 N ILE A 103 10.751 12.865 23.674 1.00 4.92 N +ATOM 634 CA ILE A 103 10.696 11.683 24.517 1.00 4.56 C +ATOM 635 C ILE A 103 11.227 12.057 25.899 1.00 5.98 C +ATOM 636 O ILE A 103 12.112 12.933 26.031 1.00 8.50 O +ATOM 637 CB ILE A 103 11.551 10.545 23.827 1.00 5.11 C +ATOM 638 CG1 ILE A 103 11.449 9.284 24.662 1.00 6.26 C +ATOM 639 CG2 ILE A 103 13.028 10.962 23.654 1.00 7.49 C +ATOM 640 CD1 ILE A 103 12.088 8.044 23.979 1.00 6.11 C +ATOM 641 N MET A 104 10.664 11.476 26.943 1.00 4.18 N +ATOM 642 CA MET A 104 11.108 11.729 28.301 1.00 6.63 C +ATOM 643 C MET A 104 10.888 10.491 29.149 1.00 5.56 C +ATOM 644 O MET A 104 10.024 9.670 28.834 1.00 6.70 O +ATOM 645 CB MET A 104 10.350 12.896 28.945 1.00 9.07 C +ATOM 646 CG MET A 104 8.915 12.709 29.368 1.00 15.92 C +ATOM 647 SD MET A 104 8.331 14.178 30.261 1.00 16.40 S +ATOM 648 CE MET A 104 9.346 13.936 31.681 1.00 21.28 C +ATOM 649 N LEU A 105 11.688 10.341 30.197 1.00 5.19 N +ATOM 650 CA LEU A 105 11.600 9.227 31.131 1.00 5.06 C +ATOM 651 C LEU A 105 11.077 9.777 32.453 1.00 4.79 C +ATOM 652 O LEU A 105 11.426 10.895 32.854 1.00 5.37 O +ATOM 653 CB LEU A 105 12.982 8.611 31.336 1.00 5.54 C +ATOM 654 CG LEU A 105 13.403 7.327 30.600 1.00 13.07 C +ATOM 655 CD1 LEU A 105 12.598 7.108 29.361 1.00 13.91 C +ATOM 656 CD2 LEU A 105 14.883 7.412 30.294 1.00 10.01 C +ATOM 657 N ILE A 106 10.213 9.024 33.114 1.00 4.92 N +ATOM 658 CA ILE A 106 9.659 9.417 34.408 1.00 5.91 C +ATOM 659 C ILE A 106 9.951 8.284 35.369 1.00 6.28 C +ATOM 660 O ILE A 106 9.571 7.144 35.104 1.00 6.25 O +ATOM 661 CB ILE A 106 8.145 9.633 34.302 1.00 4.20 C +ATOM 662 CG1 ILE A 106 7.814 10.875 33.503 1.00 6.05 C +ATOM 663 CG2 ILE A 106 7.587 9.868 35.709 1.00 8.78 C +ATOM 664 CD1 ILE A 106 6.344 10.882 33.037 1.00 8.81 C +ATOM 665 N LYS A 107 10.627 8.549 36.470 1.00 7.00 N +ATOM 666 CA LYS A 107 10.835 7.510 37.472 1.00 7.95 C +ATOM 667 C LYS A 107 9.730 7.601 38.537 1.00 6.77 C +ATOM 668 O LYS A 107 9.402 8.681 39.044 1.00 9.44 O +ATOM 669 CB LYS A 107 12.229 7.685 38.132 1.00 5.82 C +ATOM 670 CG LYS A 107 12.546 6.586 39.153 1.00 7.85 C +ATOM 671 CD LYS A 107 13.963 6.600 39.675 1.00 8.01 C +ATOM 672 CE LYS A 107 14.210 5.408 40.610 1.00 8.89 C +ATOM 673 NZ LYS A 107 15.624 5.101 40.735 1.00 13.36 N +ATOM 674 N LEU A 108 9.158 6.480 38.932 1.00 8.26 N +ATOM 675 CA LEU A 108 8.150 6.401 39.980 1.00 10.58 C +ATOM 676 C LEU A 108 8.777 6.390 41.384 1.00 12.99 C +ATOM 677 O LEU A 108 9.852 5.807 41.602 1.00 11.25 O +ATOM 678 CB LEU A 108 7.330 5.124 39.793 1.00 9.49 C +ATOM 679 CG LEU A 108 6.675 4.911 38.440 1.00 9.76 C +ATOM 680 CD1 LEU A 108 5.908 3.615 38.420 1.00 9.26 C +ATOM 681 CD2 LEU A 108 5.774 6.066 38.160 1.00 9.48 C +ATOM 682 N LYS A 109 8.102 6.991 42.370 1.00 13.60 N +ATOM 683 CA LYS A 109 8.591 6.993 43.750 1.00 16.97 C +ATOM 684 C LYS A 109 8.753 5.608 44.361 1.00 14.94 C +ATOM 685 O LYS A 109 9.620 5.385 45.203 1.00 15.15 O +ATOM 686 CB LYS A 109 7.665 7.784 44.658 1.00 20.00 C +ATOM 687 CG LYS A 109 7.930 9.247 44.450 1.00 26.44 C +ATOM 688 CD LYS A 109 7.379 10.058 45.603 1.00 30.56 C +ATOM 689 CE LYS A 109 7.719 11.546 45.414 1.00 32.73 C +ATOM 690 NZ LYS A 109 7.039 12.064 44.244 1.00 34.40 N +ATOM 691 N SER A 110 7.922 4.663 43.963 1.00 14.68 N +ATOM 692 CA SER A 110 8.002 3.300 44.410 1.00 16.49 C +ATOM 693 C SER A 110 7.646 2.438 43.216 1.00 16.58 C +ATOM 694 O SER A 110 6.982 2.904 42.285 1.00 18.59 O +ATOM 695 CB SER A 110 7.021 3.077 45.559 1.00 19.79 C +ATOM 696 OG SER A 110 5.829 3.855 45.475 1.00 25.72 O +ATOM 697 N ALA A 111 8.112 1.205 43.199 1.00 16.04 N +ATOM 698 CA ALA A 111 7.827 0.322 42.100 1.00 15.08 C +ATOM 699 C ALA A 111 6.354 -0.051 42.070 1.00 15.79 C +ATOM 700 O ALA A 111 5.695 -0.136 43.113 1.00 15.44 O +ATOM 701 CB ALA A 111 8.664 -0.923 42.250 1.00 15.40 C +ATOM 702 N ALA A 112 5.807 -0.168 40.868 1.00 13.92 N +ATOM 703 CA ALA A 112 4.456 -0.650 40.655 1.00 15.71 C +ATOM 704 C ALA A 112 4.420 -2.147 40.954 1.00 16.05 C +ATOM 705 O ALA A 112 5.455 -2.819 40.855 1.00 17.25 O +ATOM 706 CB ALA A 112 4.051 -0.442 39.196 1.00 12.10 C +ATOM 707 N SER A 113 3.263 -2.705 41.319 1.00 18.09 N +ATOM 708 CA SER A 113 3.112 -4.143 41.491 1.00 18.19 C +ATOM 709 C SER A 113 2.670 -4.662 40.130 1.00 19.14 C +ATOM 710 O SER A 113 1.579 -4.288 39.677 1.00 19.85 O +ATOM 711 CB SER A 113 2.036 -4.427 42.508 1.00 19.69 C +ATOM 712 OG SER A 113 2.322 -3.758 43.726 1.00 28.99 O +ATOM 713 N LEU A 114 3.458 -5.471 39.438 1.00 19.94 N +ATOM 714 CA LEU A 114 3.127 -5.946 38.111 1.00 22.56 C +ATOM 715 C LEU A 114 2.342 -7.257 38.154 1.00 26.68 C +ATOM 716 O LEU A 114 2.585 -8.119 38.996 1.00 29.80 O +ATOM 717 CB LEU A 114 4.449 -6.050 37.370 1.00 20.67 C +ATOM 718 CG LEU A 114 4.876 -4.933 36.400 1.00 21.05 C +ATOM 719 CD1 LEU A 114 4.639 -3.576 36.968 1.00 21.78 C +ATOM 720 CD2 LEU A 114 6.346 -5.085 36.106 1.00 22.99 C +ATOM 721 N ASN A 115 1.374 -7.463 37.266 1.00 29.84 N +ATOM 722 CA ASN A 115 0.410 -8.567 37.265 1.00 31.57 C +ATOM 723 C ASN A 115 -0.184 -8.672 35.855 1.00 31.35 C +ATOM 724 O ASN A 115 0.422 -8.111 34.939 1.00 32.66 O +ATOM 725 CB ASN A 115 -0.688 -8.274 38.301 1.00 34.37 C +ATOM 726 CG ASN A 115 -1.378 -6.933 38.075 1.00 38.97 C +ATOM 727 OD1 ASN A 115 -2.174 -6.792 37.146 1.00 39.84 O +ATOM 728 ND2 ASN A 115 -1.077 -5.891 38.843 1.00 38.31 N +ATOM 729 N SER A 116 -1.298 -9.340 35.546 1.00 30.38 N +ATOM 730 CA SER A 116 -1.769 -9.423 34.164 1.00 31.67 C +ATOM 731 C SER A 116 -2.400 -8.136 33.633 1.00 30.52 C +ATOM 732 O SER A 116 -2.394 -7.849 32.433 1.00 30.57 O +ATOM 733 CB SER A 116 -2.779 -10.570 34.047 1.00 33.69 C +ATOM 734 OG SER A 116 -3.681 -10.576 35.158 1.00 36.11 O +ATOM 735 N ARG A 117 -2.963 -7.359 34.554 1.00 29.13 N +ATOM 736 CA ARG A 117 -3.613 -6.117 34.209 1.00 27.12 C +ATOM 737 C ARG A 117 -2.686 -4.924 34.307 1.00 25.33 C +ATOM 738 O ARG A 117 -3.042 -3.876 33.749 1.00 26.44 O +ATOM 739 CB ARG A 117 -4.814 -5.937 35.114 1.00 29.56 C +ATOM 740 CG ARG A 117 -5.841 -7.025 34.788 1.00 34.25 C +ATOM 741 CD ARG A 117 -7.089 -6.854 35.635 1.00 39.62 C +ATOM 742 NE ARG A 117 -8.103 -7.860 35.327 1.00 44.72 N +ATOM 743 CZ ARG A 117 -8.951 -7.757 34.278 1.00 47.90 C +ATOM 744 NH1 ARG A 117 -8.890 -6.701 33.446 1.00 47.09 N +ATOM 745 NH2 ARG A 117 -9.880 -8.712 34.087 1.00 49.32 N +ATOM 746 N VAL A 118 -1.552 -4.984 35.024 1.00 19.39 N +ATOM 747 CA VAL A 118 -0.584 -3.886 35.024 1.00 16.88 C +ATOM 748 C VAL A 118 0.702 -4.600 34.677 1.00 14.34 C +ATOM 749 O VAL A 118 1.205 -5.380 35.482 1.00 12.36 O +ATOM 750 CB VAL A 118 -0.435 -3.172 36.407 1.00 13.85 C +ATOM 751 CG1 VAL A 118 0.642 -2.085 36.334 1.00 15.11 C +ATOM 752 CG2 VAL A 118 -1.736 -2.471 36.777 1.00 16.93 C +ATOM 753 N ALA A 119 1.254 -4.337 33.499 1.00 12.46 N +ATOM 754 CA ALA A 119 2.417 -5.055 33.000 1.00 11.93 C +ATOM 755 C ALA A 119 3.282 -4.092 32.216 1.00 12.89 C +ATOM 756 O ALA A 119 2.753 -3.070 31.775 1.00 15.11 O +ATOM 757 CB ALA A 119 1.960 -6.152 32.071 1.00 12.10 C +ATOM 758 N SER A 120 4.577 -4.346 32.038 1.00 12.39 N +ATOM 759 CA SER A 120 5.419 -3.463 31.250 1.00 13.92 C +ATOM 760 C SER A 120 5.477 -3.890 29.798 1.00 13.65 C +ATOM 761 O SER A 120 5.086 -5.013 29.468 1.00 14.45 O +ATOM 762 CB SER A 120 6.812 -3.457 31.844 1.00 14.87 C +ATOM 763 OG SER A 120 7.252 -4.786 32.074 1.00 19.12 O +ATOM 764 N ILE A 121 5.941 -3.031 28.896 1.00 13.36 N +ATOM 765 CA ILE A 121 6.059 -3.349 27.483 1.00 11.80 C +ATOM 766 C ILE A 121 7.546 -3.350 27.180 1.00 13.44 C +ATOM 767 O ILE A 121 8.305 -2.512 27.688 1.00 14.89 O +ATOM 768 CB ILE A 121 5.283 -2.279 26.649 1.00 11.06 C +ATOM 769 CG1 ILE A 121 5.344 -2.609 25.179 1.00 12.83 C +ATOM 770 CG2 ILE A 121 5.826 -0.882 26.961 1.00 10.16 C +ATOM 771 CD1 ILE A 121 4.530 -3.888 24.852 1.00 11.82 C +ATOM 772 N SER A 122 7.977 -4.292 26.359 1.00 12.00 N +ATOM 773 CA SER A 122 9.378 -4.397 26.014 1.00 14.74 C +ATOM 774 C SER A 122 9.793 -3.314 25.041 1.00 13.25 C +ATOM 775 O SER A 122 9.029 -2.894 24.168 1.00 11.24 O +ATOM 776 CB SER A 122 9.668 -5.731 25.353 1.00 17.28 C +ATOM 777 OG SER A 122 9.260 -6.834 26.152 1.00 25.80 O +ATOM 778 N LEU A 123 11.046 -2.927 25.202 1.00 11.83 N +ATOM 779 CA LEU A 123 11.687 -2.000 24.294 1.00 11.68 C +ATOM 780 C LEU A 123 12.116 -2.790 23.061 1.00 11.44 C +ATOM 781 O LEU A 123 12.386 -3.996 23.145 1.00 11.16 O +ATOM 782 CB LEU A 123 12.912 -1.388 24.977 1.00 11.15 C +ATOM 783 CG LEU A 123 12.663 -0.435 26.149 1.00 11.11 C +ATOM 784 CD1 LEU A 123 14.016 0.062 26.667 1.00 14.83 C +ATOM 785 CD2 LEU A 123 11.805 0.752 25.689 1.00 12.47 C +ATOM 786 N PRO A 124 12.186 -2.195 21.890 1.00 10.39 N +ATOM 787 CA PRO A 124 12.496 -2.924 20.673 1.00 13.04 C +ATOM 788 C PRO A 124 13.967 -3.267 20.477 1.00 14.87 C +ATOM 789 O PRO A 124 14.834 -2.529 20.932 1.00 15.68 O +ATOM 790 CB PRO A 124 11.935 -2.027 19.595 1.00 10.12 C +ATOM 791 CG PRO A 124 12.164 -0.654 20.133 1.00 11.43 C +ATOM 792 CD PRO A 124 11.845 -0.790 21.634 1.00 8.57 C +ATOM 793 N THR A 125 14.304 -4.371 19.823 1.00 15.00 N +ATOM 794 CA THR A 125 15.687 -4.601 19.453 1.00 18.40 C +ATOM 795 C THR A 125 15.908 -4.193 18.003 1.00 17.24 C +ATOM 796 O THR A 125 17.052 -4.177 17.555 1.00 18.20 O +ATOM 797 CB THR A 125 16.060 -6.093 19.647 1.00 20.21 C +ATOM 798 OG1 THR A 125 14.984 -6.904 19.203 1.00 24.98 O +ATOM 799 CG2 THR A 125 16.346 -6.393 21.106 1.00 23.18 C +ATOM 800 N SER A 127 14.881 -3.858 17.209 1.00 16.92 N +ATOM 801 CA SER A 127 15.030 -3.489 15.798 1.00 15.86 C +ATOM 802 C SER A 127 14.017 -2.393 15.536 1.00 15.24 C +ATOM 803 O SER A 127 13.078 -2.247 16.318 1.00 16.71 O +ATOM 804 CB SER A 127 14.675 -4.628 14.848 1.00 16.15 C +ATOM 805 OG SER A 127 15.278 -5.823 15.318 1.00 29.06 O +ATOM 806 N CYS A 128 14.160 -1.609 14.474 1.00 13.86 N +ATOM 807 CA CYS A 128 13.185 -0.593 14.145 1.00 12.05 C +ATOM 808 C CYS A 128 12.111 -1.283 13.339 1.00 12.61 C +ATOM 809 O CYS A 128 12.433 -2.188 12.578 1.00 16.73 O +ATOM 810 CB CYS A 128 13.796 0.478 13.307 1.00 10.55 C +ATOM 811 SG CYS A 128 15.040 1.359 14.241 1.00 12.18 S +ATOM 812 N ALA A 129 10.845 -0.944 13.473 1.00 12.17 N +ATOM 813 CA ALA A 129 9.823 -1.590 12.682 1.00 13.96 C +ATOM 814 C ALA A 129 9.786 -0.994 11.275 1.00 15.44 C +ATOM 815 O ALA A 129 10.159 0.159 11.060 1.00 16.61 O +ATOM 816 CB ALA A 129 8.484 -1.401 13.366 1.00 13.76 C +ATOM 817 N SER A 131 9.368 -1.751 10.283 1.00 16.01 N +ATOM 818 CA SER A 131 9.323 -1.282 8.916 1.00 16.53 C +ATOM 819 C SER A 131 7.917 -0.820 8.543 1.00 14.77 C +ATOM 820 O SER A 131 6.911 -1.202 9.148 1.00 13.69 O +ATOM 821 CB SER A 131 9.748 -2.421 7.984 1.00 18.03 C +ATOM 822 OG SER A 131 11.069 -2.885 8.300 1.00 25.57 O +ATOM 823 N ALA A 132 7.876 0.021 7.512 1.00 16.48 N +ATOM 824 CA ALA A 132 6.659 0.499 6.881 1.00 15.44 C +ATOM 825 C ALA A 132 5.774 -0.682 6.522 1.00 16.21 C +ATOM 826 O ALA A 132 6.275 -1.729 6.110 1.00 19.76 O +ATOM 827 CB ALA A 132 7.012 1.241 5.608 1.00 16.00 C +ATOM 828 N GLY A 133 4.489 -0.590 6.791 1.00 14.13 N +ATOM 829 CA GLY A 133 3.575 -1.648 6.461 1.00 14.08 C +ATOM 830 C GLY A 133 3.231 -2.479 7.674 1.00 15.55 C +ATOM 831 O GLY A 133 2.209 -3.161 7.631 1.00 17.14 O +ATOM 832 N THR A 134 4.016 -2.475 8.763 1.00 16.04 N +ATOM 833 CA THR A 134 3.678 -3.252 9.962 1.00 15.91 C +ATOM 834 C THR A 134 2.463 -2.589 10.633 1.00 14.39 C +ATOM 835 O THR A 134 2.436 -1.354 10.750 1.00 12.98 O +ATOM 836 CB THR A 134 4.871 -3.263 10.975 1.00 19.37 C +ATOM 837 OG1 THR A 134 6.058 -3.628 10.274 1.00 21.22 O +ATOM 838 CG2 THR A 134 4.660 -4.265 12.094 1.00 16.92 C +ATOM 839 N GLN A 135 1.478 -3.370 11.056 1.00 12.38 N +ATOM 840 CA GLN A 135 0.275 -2.857 11.680 1.00 14.82 C +ATOM 841 C GLN A 135 0.598 -2.695 13.168 1.00 15.20 C +ATOM 842 O GLN A 135 1.195 -3.601 13.769 1.00 14.34 O +ATOM 843 CB GLN A 135 -0.858 -3.869 11.441 1.00 20.06 C +ATOM 844 CG GLN A 135 -2.297 -3.601 11.901 1.00 26.27 C +ATOM 845 CD GLN A 135 -3.088 -2.598 11.062 1.00 34.38 C +ATOM 846 OE1 GLN A 135 -2.534 -1.729 10.390 1.00 37.68 O +ATOM 847 NE2 GLN A 135 -4.420 -2.599 11.058 1.00 35.98 N +ATOM 848 N CYS A 136 0.234 -1.566 13.778 1.00 11.73 N +ATOM 849 CA CYS A 136 0.524 -1.283 15.185 1.00 11.38 C +ATOM 850 C CYS A 136 -0.731 -0.888 15.959 1.00 9.03 C +ATOM 851 O CYS A 136 -1.751 -0.559 15.355 1.00 10.37 O +ATOM 852 CB CYS A 136 1.515 -0.147 15.280 1.00 9.44 C +ATOM 853 SG CYS A 136 3.038 -0.427 14.358 1.00 10.43 S +ATOM 854 N LEU A 137 -0.693 -0.891 17.287 1.00 6.87 N +ATOM 855 CA LEU A 137 -1.815 -0.533 18.139 1.00 5.47 C +ATOM 856 C LEU A 137 -1.449 0.754 18.865 1.00 7.05 C +ATOM 857 O LEU A 137 -0.419 0.808 19.573 1.00 6.76 O +ATOM 858 CB LEU A 137 -2.060 -1.609 19.185 1.00 6.98 C +ATOM 859 CG LEU A 137 -3.194 -1.394 20.172 1.00 10.08 C +ATOM 860 CD1 LEU A 137 -4.547 -1.451 19.433 1.00 7.03 C +ATOM 861 CD2 LEU A 137 -3.133 -2.483 21.238 1.00 8.69 C +ATOM 862 N ILE A 138 -2.273 1.771 18.663 1.00 4.20 N +ATOM 863 CA ILE A 138 -2.092 3.064 19.295 1.00 3.31 C +ATOM 864 C ILE A 138 -3.245 3.185 20.286 1.00 5.47 C +ATOM 865 O ILE A 138 -4.379 2.800 19.935 1.00 5.10 O +ATOM 866 CB ILE A 138 -2.169 4.172 18.225 1.00 5.22 C +ATOM 867 CG1 ILE A 138 -1.044 3.927 17.225 1.00 6.82 C +ATOM 868 CG2 ILE A 138 -2.073 5.581 18.863 1.00 4.83 C +ATOM 869 CD1 ILE A 138 -1.286 4.582 15.839 1.00 10.22 C +ATOM 870 N SER A 139 -3.030 3.719 21.493 1.00 4.71 N +ATOM 871 CA SER A 139 -4.128 3.833 22.441 1.00 5.12 C +ATOM 872 C SER A 139 -4.057 5.131 23.253 1.00 6.62 C +ATOM 873 O SER A 139 -2.958 5.705 23.382 1.00 6.97 O +ATOM 874 CB SER A 139 -4.104 2.610 23.366 1.00 3.99 C +ATOM 875 OG SER A 139 -2.802 2.374 23.871 1.00 5.18 O +ATOM 876 N GLY A 140 -5.183 5.633 23.789 1.00 5.22 N +ATOM 877 CA GLY A 140 -5.135 6.812 24.623 1.00 4.59 C +ATOM 878 C GLY A 140 -6.540 7.308 24.940 1.00 7.36 C +ATOM 879 O GLY A 140 -7.540 6.811 24.399 1.00 6.71 O +ATOM 880 N TRP A 141 -6.632 8.288 25.846 1.00 8.00 N +ATOM 881 CA TRP A 141 -7.888 8.897 26.269 1.00 7.38 C +ATOM 882 C TRP A 141 -8.053 10.278 25.610 1.00 8.82 C +ATOM 883 O TRP A 141 -8.745 11.161 26.136 1.00 9.44 O +ATOM 884 CB TRP A 141 -7.905 9.063 27.819 1.00 8.39 C +ATOM 885 CG TRP A 141 -7.961 7.766 28.626 1.00 8.06 C +ATOM 886 CD1 TRP A 141 -9.171 7.178 28.919 1.00 9.63 C +ATOM 887 CD2 TRP A 141 -6.899 7.072 29.155 1.00 8.00 C +ATOM 888 NE1 TRP A 141 -8.879 6.109 29.640 1.00 8.55 N +ATOM 889 CE2 TRP A 141 -7.551 6.001 29.801 1.00 7.57 C +ATOM 890 CE3 TRP A 141 -5.498 7.172 29.202 1.00 7.16 C +ATOM 891 CZ2 TRP A 141 -6.821 5.027 30.495 1.00 8.38 C +ATOM 892 CZ3 TRP A 141 -4.783 6.196 29.904 1.00 7.87 C +ATOM 893 CH2 TRP A 141 -5.438 5.136 30.542 1.00 6.21 C +ATOM 894 N GLY A 142 -7.402 10.548 24.478 1.00 7.44 N +ATOM 895 CA GLY A 142 -7.507 11.861 23.847 1.00 7.92 C +ATOM 896 C GLY A 142 -8.805 12.080 23.097 1.00 8.95 C +ATOM 897 O GLY A 142 -9.692 11.217 23.045 1.00 8.86 O +ATOM 898 N ASN A 143 -8.900 13.256 22.476 1.00 10.47 N +ATOM 899 CA ASN A 143 -10.055 13.638 21.668 1.00 10.86 C +ATOM 900 C ASN A 143 -10.459 12.605 20.595 1.00 10.54 C +ATOM 901 O ASN A 143 -9.616 11.953 19.932 1.00 10.37 O +ATOM 902 CB ASN A 143 -9.753 14.963 20.992 1.00 10.86 C +ATOM 903 CG ASN A 143 -10.950 15.710 20.431 1.00 12.80 C +ATOM 904 OD1 ASN A 143 -10.799 16.788 19.864 1.00 16.47 O +ATOM 905 ND2 ASN A 143 -12.208 15.325 20.567 1.00 11.06 N +ATOM 906 N THR A 144 -11.774 12.390 20.468 1.00 11.38 N +ATOM 907 CA THR A 144 -12.269 11.431 19.487 1.00 12.99 C +ATOM 908 C THR A 144 -12.869 12.103 18.251 1.00 14.75 C +ATOM 909 O THR A 144 -13.452 11.422 17.393 1.00 12.71 O +ATOM 910 CB THR A 144 -13.344 10.489 20.122 1.00 13.62 C +ATOM 911 OG1 THR A 144 -14.408 11.324 20.599 1.00 14.20 O +ATOM 912 CG2 THR A 144 -12.784 9.612 21.245 1.00 10.79 C +ATOM 913 N LYS A 145 -12.764 13.426 18.081 1.00 15.88 N +ATOM 914 CA LYS A 145 -13.405 14.099 16.957 1.00 19.52 C +ATOM 915 C LYS A 145 -12.389 14.937 16.168 1.00 20.40 C +ATOM 916 O LYS A 145 -11.478 15.504 16.773 1.00 19.67 O +ATOM 917 CB LYS A 145 -14.529 14.991 17.506 1.00 23.67 C +ATOM 918 CG LYS A 145 -15.572 14.301 18.408 1.00 28.36 C +ATOM 919 CD LYS A 145 -16.440 13.302 17.647 1.00 35.06 C +ATOM 920 CE LYS A 145 -17.355 12.420 18.537 1.00 38.94 C +ATOM 921 NZ LYS A 145 -16.653 11.315 19.189 1.00 41.05 N +ATOM 922 N SER A 146 -12.450 15.047 14.838 1.00 22.88 N +ATOM 923 CA SER A 146 -11.520 15.905 14.094 1.00 26.19 C +ATOM 924 C SER A 146 -12.006 17.341 13.965 1.00 27.15 C +ATOM 925 O SER A 146 -11.285 18.250 13.516 1.00 28.75 O +ATOM 926 CB SER A 146 -11.294 15.317 12.712 1.00 26.30 C +ATOM 927 OG SER A 146 -12.478 14.685 12.228 1.00 32.84 O +ATOM 928 N SER A 147 -13.273 17.533 14.319 1.00 28.21 N +ATOM 929 CA SER A 147 -13.888 18.836 14.360 1.00 29.88 C +ATOM 930 C SER A 147 -14.697 18.839 15.647 1.00 28.95 C +ATOM 931 O SER A 147 -15.536 17.967 15.895 1.00 28.99 O +ATOM 932 CB SER A 147 -14.761 19.008 13.121 1.00 31.44 C +ATOM 933 OG SER A 147 -13.880 19.063 11.986 1.00 37.22 O +ATOM 934 N GLY A 148 -14.413 19.783 16.522 1.00 27.87 N +ATOM 935 CA GLY A 148 -15.113 19.817 17.795 1.00 27.38 C +ATOM 936 C GLY A 148 -14.344 18.970 18.800 1.00 26.00 C +ATOM 937 O GLY A 148 -13.251 18.459 18.518 1.00 25.16 O +ATOM 938 N THR A 149 -14.905 18.803 19.990 1.00 23.73 N +ATOM 939 CA THR A 149 -14.216 18.123 21.070 1.00 22.99 C +ATOM 940 C THR A 149 -15.140 17.218 21.877 1.00 21.36 C +ATOM 941 O THR A 149 -16.266 17.605 22.220 1.00 21.73 O +ATOM 942 CB THR A 149 -13.579 19.227 21.935 1.00 22.74 C +ATOM 943 OG1 THR A 149 -12.562 19.818 21.133 1.00 27.67 O +ATOM 944 CG2 THR A 149 -13.020 18.730 23.236 1.00 21.86 C +ATOM 945 N SER A 150 -14.655 15.994 22.127 1.00 18.38 N +ATOM 946 CA SER A 150 -15.321 15.041 22.986 1.00 17.25 C +ATOM 947 C SER A 150 -14.225 14.097 23.456 1.00 16.83 C +ATOM 948 O SER A 150 -13.538 13.433 22.653 1.00 17.77 O +ATOM 949 CB SER A 150 -16.364 14.258 22.244 1.00 17.94 C +ATOM 950 OG SER A 150 -17.232 13.610 23.163 1.00 20.79 O +ATOM 951 N TYR A 151 -13.995 14.174 24.756 1.00 14.39 N +ATOM 952 CA TYR A 151 -12.985 13.366 25.381 1.00 13.29 C +ATOM 953 C TYR A 151 -13.661 12.183 26.036 1.00 11.49 C +ATOM 954 O TYR A 151 -14.679 12.361 26.707 1.00 11.20 O +ATOM 955 CB TYR A 151 -12.253 14.201 26.388 1.00 13.55 C +ATOM 956 CG TYR A 151 -11.152 15.023 25.738 1.00 19.64 C +ATOM 957 CD1 TYR A 151 -11.450 16.183 25.028 1.00 21.68 C +ATOM 958 CD2 TYR A 151 -9.820 14.628 25.908 1.00 20.52 C +ATOM 959 CE1 TYR A 151 -10.421 16.956 24.493 1.00 21.15 C +ATOM 960 CE2 TYR A 151 -8.790 15.393 25.374 1.00 22.59 C +ATOM 961 CZ TYR A 151 -9.105 16.555 24.672 1.00 23.04 C +ATOM 962 OH TYR A 151 -8.094 17.375 24.209 1.00 27.44 O +ATOM 963 N PRO A 152 -13.236 10.947 25.775 1.00 11.33 N +ATOM 964 CA PRO A 152 -13.863 9.761 26.335 1.00 10.90 C +ATOM 965 C PRO A 152 -13.382 9.533 27.758 1.00 11.79 C +ATOM 966 O PRO A 152 -12.338 10.035 28.163 1.00 14.08 O +ATOM 967 CB PRO A 152 -13.462 8.686 25.345 1.00 10.12 C +ATOM 968 CG PRO A 152 -12.030 9.099 25.027 1.00 10.50 C +ATOM 969 CD PRO A 152 -12.146 10.593 24.866 1.00 9.99 C +ATOM 970 N ASP A 153 -14.125 8.782 28.536 1.00 11.86 N +ATOM 971 CA ASP A 153 -13.631 8.431 29.844 1.00 11.48 C +ATOM 972 C ASP A 153 -12.874 7.102 29.830 1.00 9.83 C +ATOM 973 O ASP A 153 -12.027 6.853 30.698 1.00 11.08 O +ATOM 974 CB ASP A 153 -14.851 8.417 30.801 1.00 15.54 C +ATOM 975 CG ASP A 153 -15.549 9.786 30.880 1.00 24.46 C +ATOM 976 OD1 ASP A 153 -14.888 10.816 31.039 1.00 24.47 O +ATOM 977 OD2 ASP A 153 -16.778 9.850 30.734 1.00 30.73 O +ATOM 978 N VAL A 154 -13.139 6.210 28.867 1.00 7.78 N +ATOM 979 CA VAL A 154 -12.509 4.893 28.794 1.00 7.60 C +ATOM 980 C VAL A 154 -11.488 4.863 27.657 1.00 7.97 C +ATOM 981 O VAL A 154 -11.608 5.625 26.682 1.00 7.29 O +ATOM 982 CB VAL A 154 -13.557 3.744 28.572 1.00 11.15 C +ATOM 983 CG1 VAL A 154 -14.552 3.756 29.721 1.00 8.98 C +ATOM 984 CG2 VAL A 154 -14.329 3.907 27.267 1.00 8.83 C +ATOM 985 N LEU A 155 -10.516 3.968 27.745 1.00 5.57 N +ATOM 986 CA LEU A 155 -9.409 3.916 26.802 1.00 6.43 C +ATOM 987 C LEU A 155 -9.851 3.494 25.399 1.00 7.49 C +ATOM 988 O LEU A 155 -10.638 2.548 25.232 1.00 9.94 O +ATOM 989 CB LEU A 155 -8.371 2.961 27.400 1.00 5.82 C +ATOM 990 CG LEU A 155 -7.020 2.857 26.704 1.00 6.43 C +ATOM 991 CD1 LEU A 155 -6.304 4.202 26.778 1.00 3.87 C +ATOM 992 CD2 LEU A 155 -6.194 1.762 27.365 1.00 6.64 C +ATOM 993 N LYS A 156 -9.417 4.236 24.381 1.00 7.37 N +ATOM 994 CA LYS A 156 -9.710 3.920 22.993 1.00 5.31 C +ATOM 995 C LYS A 156 -8.459 3.355 22.338 1.00 6.07 C +ATOM 996 O LYS A 156 -7.322 3.678 22.728 1.00 5.65 O +ATOM 997 CB LYS A 156 -10.161 5.193 22.261 1.00 5.08 C +ATOM 998 CG LYS A 156 -11.425 5.800 22.838 1.00 6.96 C +ATOM 999 CD LYS A 156 -12.594 4.958 22.441 1.00 11.63 C +ATOM 1000 CE LYS A 156 -13.824 5.387 23.186 1.00 15.96 C +ATOM 1001 NZ LYS A 156 -14.918 4.552 22.727 1.00 16.73 N +ATOM 1002 N CYS A 157 -8.648 2.532 21.311 1.00 5.73 N +ATOM 1003 CA CYS A 157 -7.566 1.834 20.641 1.00 5.64 C +ATOM 1004 C CYS A 157 -7.705 2.047 19.147 1.00 6.46 C +ATOM 1005 O CYS A 157 -8.830 2.271 18.655 1.00 6.98 O +ATOM 1006 CB CYS A 157 -7.633 0.326 20.904 1.00 7.11 C +ATOM 1007 SG CYS A 157 -6.910 -0.221 22.465 1.00 5.63 S +ATOM 1008 N LEU A 158 -6.599 1.952 18.396 1.00 5.30 N +ATOM 1009 CA LEU A 158 -6.650 2.089 16.943 1.00 6.63 C +ATOM 1010 C LEU A 158 -5.563 1.203 16.384 1.00 5.96 C +ATOM 1011 O LEU A 158 -4.453 1.212 16.915 1.00 7.06 O +ATOM 1012 CB LEU A 158 -6.348 3.532 16.475 1.00 7.79 C +ATOM 1013 CG LEU A 158 -6.218 3.816 14.959 1.00 8.80 C +ATOM 1014 CD1 LEU A 158 -7.565 3.658 14.263 1.00 10.38 C +ATOM 1015 CD2 LEU A 158 -5.736 5.232 14.751 1.00 11.17 C +ATOM 1016 N LYS A 159 -5.834 0.424 15.349 1.00 5.88 N +ATOM 1017 CA LYS A 159 -4.809 -0.377 14.694 1.00 7.16 C +ATOM 1018 C LYS A 159 -4.435 0.422 13.475 1.00 8.16 C +ATOM 1019 O LYS A 159 -5.337 0.871 12.762 1.00 9.91 O +ATOM 1020 CB LYS A 159 -5.354 -1.721 14.266 1.00 8.87 C +ATOM 1021 CG LYS A 159 -5.685 -2.552 15.501 1.00 10.82 C +ATOM 1022 CD LYS A 159 -6.142 -3.976 15.162 1.00 13.79 C +ATOM 1023 CE LYS A 159 -6.316 -4.785 16.450 1.00 14.72 C +ATOM 1024 NZ LYS A 159 -6.622 -6.180 16.166 1.00 17.13 N +ATOM 1025 N ALA A 160 -3.163 0.642 13.197 1.00 8.76 N +ATOM 1026 CA ALA A 160 -2.765 1.493 12.082 1.00 9.71 C +ATOM 1027 C ALA A 160 -1.410 1.055 11.556 1.00 9.34 C +ATOM 1028 O ALA A 160 -0.558 0.653 12.351 1.00 9.17 O +ATOM 1029 CB ALA A 160 -2.630 2.943 12.519 1.00 10.65 C +ATOM 1030 N PRO A 161 -1.146 1.105 10.251 1.00 8.74 N +ATOM 1031 CA PRO A 161 0.142 0.758 9.685 1.00 7.75 C +ATOM 1032 C PRO A 161 1.179 1.851 9.822 1.00 7.81 C +ATOM 1033 O PRO A 161 0.850 3.041 9.790 1.00 7.66 O +ATOM 1034 CB PRO A 161 -0.163 0.447 8.226 1.00 8.59 C +ATOM 1035 CG PRO A 161 -1.284 1.456 7.914 1.00 9.22 C +ATOM 1036 CD PRO A 161 -2.126 1.372 9.195 1.00 7.92 C +ATOM 1037 N ILE A 162 2.454 1.491 9.926 1.00 9.46 N +ATOM 1038 CA ILE A 162 3.522 2.478 9.780 1.00 8.41 C +ATOM 1039 C ILE A 162 3.614 2.807 8.291 1.00 10.29 C +ATOM 1040 O ILE A 162 3.593 1.911 7.431 1.00 8.64 O +ATOM 1041 CB ILE A 162 4.852 1.909 10.290 1.00 8.68 C +ATOM 1042 CG1 ILE A 162 4.725 1.698 11.805 1.00 8.72 C +ATOM 1043 CG2 ILE A 162 6.009 2.860 9.958 1.00 5.78 C +ATOM 1044 CD1 ILE A 162 5.990 1.100 12.440 1.00 10.73 C +ATOM 1045 N LEU A 163 3.709 4.080 7.950 1.00 9.27 N +ATOM 1046 CA LEU A 163 3.785 4.527 6.582 1.00 10.98 C +ATOM 1047 C LEU A 163 5.221 4.647 6.115 1.00 12.05 C +ATOM 1048 O LEU A 163 6.153 4.706 6.939 1.00 11.85 O +ATOM 1049 CB LEU A 163 3.047 5.857 6.510 1.00 12.70 C +ATOM 1050 CG LEU A 163 1.563 5.891 6.094 1.00 17.26 C +ATOM 1051 CD1 LEU A 163 0.808 4.657 6.502 1.00 19.44 C +ATOM 1052 CD2 LEU A 163 0.947 7.108 6.738 1.00 17.05 C +ATOM 1053 N SER A 164 5.443 4.651 4.793 1.00 11.74 N +ATOM 1054 CA SER A 164 6.796 4.764 4.276 1.00 12.65 C +ATOM 1055 C SER A 164 7.374 6.111 4.637 1.00 14.61 C +ATOM 1056 O SER A 164 6.615 7.087 4.683 1.00 12.92 O +ATOM 1057 CB SER A 164 6.840 4.643 2.747 1.00 13.93 C +ATOM 1058 OG SER A 164 5.983 5.601 2.135 1.00 13.92 O +ATOM 1059 N ASP A 165 8.688 6.240 4.824 1.00 16.04 N +ATOM 1060 CA ASP A 165 9.203 7.548 5.167 1.00 21.36 C +ATOM 1061 C ASP A 165 9.080 8.498 3.979 1.00 19.88 C +ATOM 1062 O ASP A 165 9.019 9.709 4.196 1.00 19.11 O +ATOM 1063 CB ASP A 165 10.658 7.418 5.669 1.00 26.72 C +ATOM 1064 CG ASP A 165 10.756 6.742 7.060 1.00 34.41 C +ATOM 1065 OD1 ASP A 165 10.289 7.261 8.102 1.00 37.44 O +ATOM 1066 OD2 ASP A 165 11.333 5.651 7.119 1.00 37.97 O +ATOM 1067 N SER A 166 8.909 8.059 2.721 1.00 19.42 N +ATOM 1068 CA SER A 166 8.725 9.009 1.641 1.00 19.93 C +ATOM 1069 C SER A 166 7.295 9.517 1.663 1.00 19.30 C +ATOM 1070 O SER A 166 7.097 10.707 1.398 1.00 19.61 O +ATOM 1071 CB SER A 166 9.021 8.370 0.294 1.00 23.01 C +ATOM 1072 OG SER A 166 8.220 7.226 0.050 1.00 28.86 O +ATOM 1073 N SER A 167 6.276 8.718 2.008 1.00 16.30 N +ATOM 1074 CA SER A 167 4.956 9.302 2.077 1.00 17.19 C +ATOM 1075 C SER A 167 4.855 10.204 3.307 1.00 15.70 C +ATOM 1076 O SER A 167 4.209 11.253 3.239 1.00 15.00 O +ATOM 1077 CB SER A 167 3.882 8.202 2.092 1.00 18.71 C +ATOM 1078 OG SER A 167 3.951 7.224 3.117 1.00 27.89 O +ATOM 1079 N CYS A 168 5.560 9.893 4.407 1.00 15.67 N +ATOM 1080 CA CYS A 168 5.594 10.728 5.613 1.00 13.58 C +ATOM 1081 C CYS A 168 6.190 12.113 5.289 1.00 15.32 C +ATOM 1082 O CYS A 168 5.614 13.182 5.571 1.00 15.73 O +ATOM 1083 CB CYS A 168 6.423 9.983 6.656 1.00 11.04 C +ATOM 1084 SG CYS A 168 6.383 10.758 8.284 1.00 10.70 S +ATOM 1085 N LYS A 169 7.323 12.112 4.585 1.00 14.50 N +ATOM 1086 CA LYS A 169 7.979 13.330 4.157 1.00 16.48 C +ATOM 1087 C LYS A 169 7.205 14.096 3.098 1.00 17.69 C +ATOM 1088 O LYS A 169 7.303 15.328 3.102 1.00 22.03 O +ATOM 1089 CB LYS A 169 9.361 12.994 3.640 1.00 18.45 C +ATOM 1090 CG LYS A 169 10.340 12.833 4.772 1.00 21.37 C +ATOM 1091 CD LYS A 169 11.719 12.612 4.190 1.00 28.10 C +ATOM 1092 CE LYS A 169 12.810 13.134 5.130 1.00 32.84 C +ATOM 1093 NZ LYS A 169 12.853 12.465 6.423 1.00 36.64 N +ATOM 1094 N SER A 170 6.439 13.473 2.210 1.00 16.81 N +ATOM 1095 CA SER A 170 5.573 14.195 1.283 1.00 18.05 C +ATOM 1096 C SER A 170 4.417 14.852 2.010 1.00 17.80 C +ATOM 1097 O SER A 170 3.991 15.943 1.632 1.00 18.42 O +ATOM 1098 CB SER A 170 4.984 13.267 0.263 1.00 20.62 C +ATOM 1099 OG SER A 170 6.057 12.624 -0.401 1.00 29.86 O +ATOM 1100 N ALA A 171 3.889 14.219 3.070 1.00 15.68 N +ATOM 1101 CA ALA A 171 2.814 14.812 3.847 1.00 14.21 C +ATOM 1102 C ALA A 171 3.302 16.021 4.632 1.00 12.58 C +ATOM 1103 O ALA A 171 2.560 16.992 4.834 1.00 15.82 O +ATOM 1104 CB ALA A 171 2.257 13.803 4.841 1.00 13.32 C +ATOM 1105 N TYR A 172 4.539 16.002 5.126 1.00 12.63 N +ATOM 1106 CA TYR A 172 5.094 17.058 5.975 1.00 11.54 C +ATOM 1107 C TYR A 172 6.476 17.486 5.485 1.00 12.60 C +ATOM 1108 O TYR A 172 7.502 17.233 6.160 1.00 11.84 O +ATOM 1109 CB TYR A 172 5.203 16.552 7.427 1.00 11.38 C +ATOM 1110 CG TYR A 172 3.873 16.223 8.097 1.00 12.54 C +ATOM 1111 CD1 TYR A 172 3.051 17.267 8.518 1.00 11.61 C +ATOM 1112 CD2 TYR A 172 3.493 14.896 8.318 1.00 10.94 C +ATOM 1113 CE1 TYR A 172 1.850 16.996 9.161 1.00 11.27 C +ATOM 1114 CE2 TYR A 172 2.282 14.619 8.965 1.00 10.53 C +ATOM 1115 CZ TYR A 172 1.465 15.677 9.387 1.00 13.16 C +ATOM 1116 OH TYR A 172 0.275 15.452 10.062 1.00 11.54 O +ATOM 1117 N PRO A 173 6.583 18.113 4.304 1.00 12.66 N +ATOM 1118 CA PRO A 173 7.845 18.563 3.721 1.00 13.40 C +ATOM 1119 C PRO A 173 8.682 19.345 4.722 1.00 12.47 C +ATOM 1120 O PRO A 173 8.163 20.176 5.452 1.00 13.98 O +ATOM 1121 CB PRO A 173 7.470 19.428 2.544 1.00 14.29 C +ATOM 1122 CG PRO A 173 6.095 18.944 2.186 1.00 14.17 C +ATOM 1123 CD PRO A 173 5.465 18.649 3.530 1.00 14.30 C +ATOM 1124 N GLY A 174 9.943 18.968 4.867 1.00 10.85 N +ATOM 1125 CA GLY A 174 10.869 19.754 5.650 1.00 13.39 C +ATOM 1126 C GLY A 174 10.717 19.621 7.148 1.00 14.39 C +ATOM 1127 O GLY A 174 11.437 20.326 7.864 1.00 16.79 O +ATOM 1128 N GLN A 175 9.837 18.731 7.634 1.00 12.25 N +ATOM 1129 CA GLN A 175 9.558 18.585 9.051 1.00 11.35 C +ATOM 1130 C GLN A 175 9.879 17.221 9.634 1.00 11.26 C +ATOM 1131 O GLN A 175 9.899 17.051 10.854 1.00 11.65 O +ATOM 1132 CB GLN A 175 8.105 18.864 9.282 1.00 11.32 C +ATOM 1133 CG GLN A 175 7.733 20.304 8.970 1.00 14.13 C +ATOM 1134 CD GLN A 175 6.255 20.411 8.735 1.00 16.78 C +ATOM 1135 OE1 GLN A 175 5.728 20.280 7.621 1.00 23.31 O +ATOM 1136 NE2 GLN A 175 5.552 20.580 9.831 1.00 14.39 N +ATOM 1137 N ILE A 176 10.091 16.180 8.836 1.00 10.68 N +ATOM 1138 CA ILE A 176 10.329 14.849 9.395 1.00 10.85 C +ATOM 1139 C ILE A 176 11.826 14.578 9.546 1.00 12.80 C +ATOM 1140 O ILE A 176 12.565 14.501 8.536 1.00 13.79 O +ATOM 1141 CB ILE A 176 9.671 13.795 8.470 1.00 8.93 C +ATOM 1142 CG1 ILE A 176 8.174 14.099 8.297 1.00 9.15 C +ATOM 1143 CG2 ILE A 176 9.894 12.406 9.058 1.00 6.18 C +ATOM 1144 CD1 ILE A 176 7.293 14.076 9.587 1.00 8.72 C +ATOM 1145 N THR A 177 12.279 14.347 10.779 1.00 10.08 N +ATOM 1146 CA THR A 177 13.674 14.040 11.022 1.00 8.30 C +ATOM 1147 C THR A 177 13.844 12.514 11.084 1.00 8.13 C +ATOM 1148 O THR A 177 12.879 11.734 11.030 1.00 8.38 O +ATOM 1149 CB THR A 177 14.150 14.688 12.360 1.00 9.16 C +ATOM 1150 OG1 THR A 177 13.475 13.992 13.415 1.00 8.04 O +ATOM 1151 CG2 THR A 177 13.872 16.184 12.448 1.00 7.26 C +ATOM 1152 N SER A 178 15.043 12.005 11.268 1.00 6.35 N +ATOM 1153 CA SER A 178 15.239 10.580 11.357 1.00 7.10 C +ATOM 1154 C SER A 178 14.703 9.994 12.643 1.00 7.13 C +ATOM 1155 O SER A 178 14.674 8.769 12.797 1.00 11.58 O +ATOM 1156 CB SER A 178 16.723 10.280 11.236 1.00 11.34 C +ATOM 1157 OG SER A 178 17.396 11.100 12.175 1.00 17.56 O +ATOM 1158 N ASN A 179 14.262 10.802 13.606 1.00 6.39 N +ATOM 1159 CA ASN A 179 13.742 10.290 14.861 1.00 5.71 C +ATOM 1160 C ASN A 179 12.220 10.293 14.858 1.00 6.18 C +ATOM 1161 O ASN A 179 11.577 10.200 15.916 1.00 5.84 O +ATOM 1162 CB ASN A 179 14.240 11.148 15.961 1.00 4.73 C +ATOM 1163 CG ASN A 179 15.748 11.140 15.988 1.00 7.58 C +ATOM 1164 OD1 ASN A 179 16.384 10.089 16.050 1.00 10.26 O +ATOM 1165 ND2 ASN A 179 16.374 12.302 15.938 1.00 8.59 N +ATOM 1166 N MET A 180 11.599 10.366 13.675 1.00 5.03 N +ATOM 1167 CA MET A 180 10.154 10.407 13.611 1.00 5.91 C +ATOM 1168 C MET A 180 9.689 9.418 12.572 1.00 6.24 C +ATOM 1169 O MET A 180 10.475 9.108 11.662 1.00 5.88 O +ATOM 1170 CB MET A 180 9.659 11.767 13.175 1.00 3.48 C +ATOM 1171 CG MET A 180 10.002 12.910 14.092 1.00 7.93 C +ATOM 1172 SD MET A 180 9.610 14.491 13.306 1.00 9.64 S +ATOM 1173 CE MET A 180 10.365 15.538 14.523 1.00 11.62 C +ATOM 1174 N PHE A 181 8.474 8.882 12.696 1.00 5.19 N +ATOM 1175 CA PHE A 181 7.865 8.123 11.589 1.00 6.70 C +ATOM 1176 C PHE A 181 6.383 8.472 11.558 1.00 6.14 C +ATOM 1177 O PHE A 181 5.834 8.983 12.547 1.00 7.66 O +ATOM 1178 CB PHE A 181 7.999 6.566 11.744 1.00 7.10 C +ATOM 1179 CG PHE A 181 7.322 5.873 12.941 1.00 7.38 C +ATOM 1180 CD1 PHE A 181 6.005 5.423 12.856 1.00 6.48 C +ATOM 1181 CD2 PHE A 181 8.033 5.701 14.125 1.00 8.75 C +ATOM 1182 CE1 PHE A 181 5.395 4.810 13.948 1.00 4.66 C +ATOM 1183 CE2 PHE A 181 7.424 5.087 15.222 1.00 9.10 C +ATOM 1184 CZ PHE A 181 6.103 4.641 15.138 1.00 5.29 C +ATOM 1185 N CYS A 182 5.710 8.198 10.445 1.00 7.50 N +ATOM 1186 CA CYS A 182 4.295 8.456 10.336 1.00 4.86 C +ATOM 1187 C CYS A 182 3.571 7.131 10.414 1.00 6.33 C +ATOM 1188 O CYS A 182 4.073 6.092 9.967 1.00 5.70 O +ATOM 1189 CB CYS A 182 3.933 9.095 9.007 1.00 5.73 C +ATOM 1190 SG CYS A 182 4.438 10.825 8.821 1.00 8.47 S +ATOM 1191 N ALA A 183 2.395 7.137 11.012 1.00 5.12 N +ATOM 1192 CA ALA A 183 1.545 5.963 11.007 1.00 7.67 C +ATOM 1193 C ALA A 183 0.130 6.481 10.884 1.00 7.25 C +ATOM 1194 O ALA A 183 -0.212 7.596 11.315 1.00 11.02 O +ATOM 1195 CB ALA A 183 1.668 5.141 12.304 1.00 3.49 C +ATOM 1196 N GLY A 184A -0.677 5.723 10.169 1.00 9.20 N +ATOM 1197 CA GLY A 184A -2.033 6.147 9.986 1.00 8.86 C +ATOM 1198 C GLY A 184A -2.519 5.861 8.579 1.00 10.79 C +ATOM 1199 O GLY A 184A -2.079 4.912 7.925 1.00 9.03 O +ATOM 1200 N TYR A 184 -3.473 6.674 8.152 1.00 10.49 N +ATOM 1201 CA TYR A 184 -4.187 6.461 6.898 1.00 12.40 C +ATOM 1202 C TYR A 184 -4.152 7.780 6.159 1.00 12.69 C +ATOM 1203 O TYR A 184 -4.692 8.765 6.653 1.00 13.67 O +ATOM 1204 CB TYR A 184 -5.639 6.073 7.188 1.00 11.04 C +ATOM 1205 CG TYR A 184 -5.742 4.775 7.958 1.00 11.61 C +ATOM 1206 CD1 TYR A 184 -5.707 4.777 9.350 1.00 9.03 C +ATOM 1207 CD2 TYR A 184 -5.803 3.575 7.251 1.00 11.75 C +ATOM 1208 CE1 TYR A 184 -5.713 3.564 10.042 1.00 12.63 C +ATOM 1209 CE2 TYR A 184 -5.825 2.363 7.942 1.00 14.20 C +ATOM 1210 CZ TYR A 184 -5.774 2.363 9.333 1.00 12.51 C +ATOM 1211 OH TYR A 184 -5.786 1.141 9.989 1.00 14.85 O +ATOM 1212 N LEU A 185 -3.598 7.859 4.957 1.00 13.46 N +ATOM 1213 CA LEU A 185 -3.562 9.121 4.231 1.00 15.23 C +ATOM 1214 C LEU A 185 -4.940 9.603 3.811 1.00 16.75 C +ATOM 1215 O LEU A 185 -5.122 10.794 3.544 1.00 17.99 O +ATOM 1216 CB LEU A 185 -2.673 8.991 3.001 1.00 15.01 C +ATOM 1217 CG LEU A 185 -1.219 8.685 3.278 1.00 16.60 C +ATOM 1218 CD1 LEU A 185 -0.432 8.741 2.009 1.00 16.37 C +ATOM 1219 CD2 LEU A 185 -0.623 9.748 4.187 1.00 18.84 C +ATOM 1220 N GLU A 186 -5.962 8.755 3.770 1.00 18.63 N +ATOM 1221 CA GLU A 186 -7.288 9.271 3.500 1.00 22.34 C +ATOM 1222 C GLU A 186 -7.950 9.863 4.727 1.00 22.10 C +ATOM 1223 O GLU A 186 -9.028 10.435 4.603 1.00 25.42 O +ATOM 1224 CB GLU A 186 -8.146 8.176 2.907 1.00 26.56 C +ATOM 1225 CG GLU A 186 -7.569 7.742 1.532 1.00 37.78 C +ATOM 1226 CD GLU A 186 -7.152 8.856 0.553 1.00 41.87 C +ATOM 1227 OE1 GLU A 186 -8.004 9.539 -0.020 1.00 44.68 O +ATOM 1228 OE2 GLU A 186 -5.955 9.121 0.380 1.00 42.62 O +ATOM 1229 N GLY A 187 -7.326 9.845 5.909 1.00 20.41 N +ATOM 1230 CA GLY A 187 -7.890 10.494 7.078 1.00 17.48 C +ATOM 1231 C GLY A 187 -8.918 9.604 7.751 1.00 16.56 C +ATOM 1232 O GLY A 187 -8.989 8.405 7.484 1.00 16.51 O +ATOM 1233 N GLY A 188A -9.686 10.125 8.696 1.00 13.41 N +ATOM 1234 CA GLY A 188A -10.730 9.342 9.308 1.00 11.67 C +ATOM 1235 C GLY A 188A -10.300 8.636 10.565 1.00 12.37 C +ATOM 1236 O GLY A 188A -11.112 8.520 11.469 1.00 13.52 O +ATOM 1237 N LYS A 188 -9.052 8.209 10.689 1.00 12.39 N +ATOM 1238 CA LYS A 188 -8.601 7.430 11.832 1.00 12.09 C +ATOM 1239 C LYS A 188 -7.225 7.949 12.238 1.00 11.12 C +ATOM 1240 O LYS A 188 -6.336 8.012 11.378 1.00 9.76 O +ATOM 1241 CB LYS A 188 -8.494 5.964 11.440 1.00 14.45 C +ATOM 1242 CG LYS A 188 -9.792 5.280 11.045 1.00 17.70 C +ATOM 1243 CD LYS A 188 -9.482 3.814 10.991 1.00 22.32 C +ATOM 1244 CE LYS A 188 -10.752 3.007 10.898 1.00 28.23 C +ATOM 1245 NZ LYS A 188 -10.576 1.803 11.691 1.00 34.46 N +ATOM 1246 N ASP A 189 -6.984 8.276 13.517 1.00 8.08 N +ATOM 1247 CA ASP A 189 -5.737 8.904 13.915 1.00 6.61 C +ATOM 1248 C ASP A 189 -5.674 9.023 15.425 1.00 6.88 C +ATOM 1249 O ASP A 189 -6.694 8.837 16.100 1.00 9.66 O +ATOM 1250 CB ASP A 189 -5.653 10.314 13.311 1.00 5.61 C +ATOM 1251 CG ASP A 189 -4.304 10.993 13.307 1.00 7.18 C +ATOM 1252 OD1 ASP A 189 -3.298 10.459 13.760 1.00 7.08 O +ATOM 1253 OD2 ASP A 189 -4.232 12.112 12.829 1.00 7.86 O +ATOM 1254 N SER A 190 -4.519 9.314 16.006 1.00 4.50 N +ATOM 1255 CA SER A 190 -4.504 9.685 17.411 1.00 4.83 C +ATOM 1256 C SER A 190 -4.824 11.196 17.442 1.00 5.48 C +ATOM 1257 O SER A 190 -4.990 11.815 16.371 1.00 7.66 O +ATOM 1258 CB SER A 190 -3.120 9.398 18.014 1.00 4.90 C +ATOM 1259 OG SER A 190 -2.075 9.962 17.217 1.00 7.33 O +ATOM 1260 N CYS A 191 -4.892 11.875 18.583 1.00 5.55 N +ATOM 1261 CA CYS A 191 -5.268 13.284 18.609 1.00 7.20 C +ATOM 1262 C CYS A 191 -4.794 13.914 19.909 1.00 6.83 C +ATOM 1263 O CYS A 191 -4.100 13.277 20.699 1.00 7.03 O +ATOM 1264 CB CYS A 191 -6.769 13.385 18.476 1.00 7.89 C +ATOM 1265 SG CYS A 191 -7.441 14.997 17.981 1.00 10.19 S +ATOM 1266 N GLN A 192 -5.114 15.182 20.176 1.00 7.87 N +ATOM 1267 CA GLN A 192 -4.718 15.851 21.397 1.00 9.18 C +ATOM 1268 C GLN A 192 -5.182 15.074 22.635 1.00 8.91 C +ATOM 1269 O GLN A 192 -6.321 14.575 22.703 1.00 11.13 O +ATOM 1270 CB GLN A 192 -5.300 17.268 21.391 1.00 13.40 C +ATOM 1271 CG GLN A 192 -4.566 18.210 20.414 1.00 21.29 C +ATOM 1272 CD GLN A 192 -4.943 18.154 18.931 1.00 24.75 C +ATOM 1273 OE1 GLN A 192 -4.116 18.326 18.029 1.00 29.75 O +ATOM 1274 NE2 GLN A 192 -6.188 17.968 18.540 1.00 25.22 N +ATOM 1275 N GLY A 193 -4.328 14.948 23.648 1.00 8.20 N +ATOM 1276 CA GLY A 193 -4.661 14.167 24.819 1.00 4.67 C +ATOM 1277 C GLY A 193 -4.184 12.738 24.695 1.00 6.59 C +ATOM 1278 O GLY A 193 -4.203 11.989 25.691 1.00 7.85 O +ATOM 1279 N ASP A 194 -3.823 12.304 23.481 1.00 5.23 N +ATOM 1280 CA ASP A 194 -3.234 10.988 23.265 1.00 3.10 C +ATOM 1281 C ASP A 194 -1.732 11.105 23.386 1.00 2.84 C +ATOM 1282 O ASP A 194 -1.051 10.099 23.553 1.00 2.14 O +ATOM 1283 CB ASP A 194 -3.535 10.454 21.885 1.00 3.63 C +ATOM 1284 CG ASP A 194 -4.985 10.037 21.744 1.00 6.12 C +ATOM 1285 OD1 ASP A 194 -5.547 9.463 22.672 1.00 6.74 O +ATOM 1286 OD2 ASP A 194 -5.588 10.260 20.698 1.00 2.33 O +ATOM 1287 N SER A 195 -1.177 12.331 23.325 1.00 3.90 N +ATOM 1288 CA SER A 195 0.256 12.620 23.427 1.00 4.95 C +ATOM 1289 C SER A 195 0.993 11.851 24.498 1.00 3.86 C +ATOM 1290 O SER A 195 0.489 11.709 25.609 1.00 5.84 O +ATOM 1291 CB SER A 195 0.464 14.093 23.699 1.00 6.06 C +ATOM 1292 OG SER A 195 0.354 14.753 22.448 1.00 10.88 O +ATOM 1293 N GLY A 196 2.156 11.327 24.148 1.00 2.00 N +ATOM 1294 CA GLY A 196 2.966 10.579 25.100 1.00 2.00 C +ATOM 1295 C GLY A 196 2.595 9.118 25.147 1.00 2.00 C +ATOM 1296 O GLY A 196 3.365 8.312 25.666 1.00 5.22 O +ATOM 1297 N GLY A 197 1.484 8.693 24.557 1.00 2.72 N +ATOM 1298 CA GLY A 197 1.069 7.304 24.636 1.00 3.81 C +ATOM 1299 C GLY A 197 1.814 6.367 23.686 1.00 4.30 C +ATOM 1300 O GLY A 197 2.602 6.800 22.836 1.00 6.39 O +ATOM 1301 N PRO A 198 1.599 5.062 23.817 1.00 5.07 N +ATOM 1302 CA PRO A 198 2.255 3.993 23.047 1.00 4.90 C +ATOM 1303 C PRO A 198 1.797 3.728 21.614 1.00 7.19 C +ATOM 1304 O PRO A 198 0.625 3.895 21.278 1.00 7.14 O +ATOM 1305 CB PRO A 198 2.055 2.772 23.918 1.00 2.90 C +ATOM 1306 CG PRO A 198 0.702 2.981 24.548 1.00 6.05 C +ATOM 1307 CD PRO A 198 0.623 4.506 24.749 1.00 4.22 C +ATOM 1308 N VAL A 199 2.738 3.294 20.770 1.00 5.28 N +ATOM 1309 CA VAL A 199 2.458 2.721 19.460 1.00 5.42 C +ATOM 1310 C VAL A 199 3.212 1.393 19.599 1.00 7.62 C +ATOM 1311 O VAL A 199 4.443 1.395 19.718 1.00 6.95 O +ATOM 1312 CB VAL A 199 3.078 3.525 18.290 1.00 7.81 C +ATOM 1313 CG1 VAL A 199 2.714 2.839 16.978 1.00 7.41 C +ATOM 1314 CG2 VAL A 199 2.544 4.936 18.273 1.00 5.50 C +ATOM 1315 N VAL A 200 2.519 0.254 19.635 1.00 7.65 N +ATOM 1316 CA VAL A 200 3.115 -1.052 19.886 1.00 7.25 C +ATOM 1317 C VAL A 200 2.951 -1.865 18.615 1.00 6.94 C +ATOM 1318 O VAL A 200 1.843 -1.932 18.084 1.00 5.69 O +ATOM 1319 CB VAL A 200 2.381 -1.722 21.113 1.00 6.27 C +ATOM 1320 CG1 VAL A 200 2.752 -3.190 21.297 1.00 9.55 C +ATOM 1321 CG2 VAL A 200 2.859 -1.039 22.396 1.00 6.88 C +ATOM 1322 N CYS A 201 4.025 -2.493 18.152 1.00 7.14 N +ATOM 1323 CA CYS A 201 4.020 -3.285 16.920 1.00 10.47 C +ATOM 1324 C CYS A 201 4.760 -4.556 17.275 1.00 11.54 C +ATOM 1325 O CYS A 201 5.849 -4.487 17.857 1.00 10.76 O +ATOM 1326 CB CYS A 201 4.773 -2.563 15.793 1.00 9.46 C +ATOM 1327 SG CYS A 201 4.491 -0.760 15.734 1.00 8.79 S +ATOM 1328 N SER A 202 4.151 -5.714 17.054 1.00 12.14 N +ATOM 1329 CA SER A 202 4.746 -7.006 17.377 1.00 15.11 C +ATOM 1330 C SER A 202 5.177 -7.098 18.847 1.00 16.34 C +ATOM 1331 O SER A 202 6.226 -7.644 19.198 1.00 18.03 O +ATOM 1332 CB SER A 202 5.933 -7.244 16.438 1.00 14.87 C +ATOM 1333 OG SER A 202 5.468 -7.129 15.094 1.00 16.83 O +ATOM 1334 N GLY A 203 4.362 -6.527 19.741 1.00 15.28 N +ATOM 1335 CA GLY A 203 4.594 -6.662 21.163 1.00 14.57 C +ATOM 1336 C GLY A 203 5.743 -5.808 21.655 1.00 13.69 C +ATOM 1337 O GLY A 203 6.164 -5.992 22.800 1.00 15.44 O +ATOM 1338 N LYS A 204 6.278 -4.871 20.867 1.00 10.60 N +ATOM 1339 CA LYS A 204 7.375 -4.023 21.335 1.00 11.72 C +ATOM 1340 C LYS A 204 6.951 -2.552 21.200 1.00 10.53 C +ATOM 1341 O LYS A 204 6.163 -2.193 20.296 1.00 8.61 O +ATOM 1342 CB LYS A 204 8.650 -4.250 20.493 1.00 12.09 C +ATOM 1343 CG LYS A 204 9.145 -5.726 20.456 1.00 16.97 C +ATOM 1344 CD LYS A 204 9.573 -6.294 21.824 1.00 17.70 C +ATOM 1345 CE LYS A 204 9.743 -7.842 21.859 1.00 22.56 C +ATOM 1346 NZ LYS A 204 11.006 -8.318 21.309 1.00 21.99 N +ATOM 1347 N LEU A 209 7.426 -1.691 22.100 1.00 6.90 N +ATOM 1348 CA LEU A 209 7.115 -0.265 22.001 1.00 4.98 C +ATOM 1349 C LEU A 209 7.910 0.333 20.846 1.00 5.26 C +ATOM 1350 O LEU A 209 9.143 0.373 20.911 1.00 6.83 O +ATOM 1351 CB LEU A 209 7.481 0.439 23.306 1.00 5.40 C +ATOM 1352 CG LEU A 209 7.207 1.942 23.340 1.00 4.20 C +ATOM 1353 CD1 LEU A 209 5.702 2.198 23.255 1.00 2.18 C +ATOM 1354 CD2 LEU A 209 7.825 2.510 24.594 1.00 5.78 C +ATOM 1355 N GLN A 210 7.270 0.754 19.754 1.00 4.04 N +ATOM 1356 CA GLN A 210 7.970 1.354 18.627 1.00 5.51 C +ATOM 1357 C GLN A 210 7.813 2.865 18.509 1.00 4.36 C +ATOM 1358 O GLN A 210 8.661 3.547 17.891 1.00 4.51 O +ATOM 1359 CB GLN A 210 7.497 0.748 17.290 1.00 5.80 C +ATOM 1360 CG GLN A 210 7.990 -0.685 17.099 1.00 5.36 C +ATOM 1361 CD GLN A 210 9.485 -0.881 16.820 1.00 11.81 C +ATOM 1362 OE1 GLN A 210 9.984 -2.014 16.813 1.00 10.12 O +ATOM 1363 NE2 GLN A 210 10.336 0.091 16.551 1.00 11.39 N +ATOM 1364 N GLY A 211 6.759 3.436 19.083 1.00 4.05 N +ATOM 1365 CA GLY A 211 6.538 4.871 18.922 1.00 3.31 C +ATOM 1366 C GLY A 211 5.865 5.479 20.136 1.00 4.46 C +ATOM 1367 O GLY A 211 5.299 4.766 20.982 1.00 4.49 O +ATOM 1368 N ILE A 212 5.915 6.813 20.165 1.00 3.87 N +ATOM 1369 CA ILE A 212 5.293 7.628 21.204 1.00 4.45 C +ATOM 1370 C ILE A 212 4.468 8.638 20.438 1.00 3.11 C +ATOM 1371 O ILE A 212 4.970 9.260 19.503 1.00 2.31 O +ATOM 1372 CB ILE A 212 6.358 8.377 22.054 1.00 8.21 C +ATOM 1373 CG1 ILE A 212 7.220 7.320 22.723 1.00 8.45 C +ATOM 1374 CG2 ILE A 212 5.739 9.295 23.106 1.00 4.80 C +ATOM 1375 CD1 ILE A 212 8.409 7.943 23.433 1.00 13.68 C +ATOM 1376 N VAL A 213 3.195 8.814 20.783 1.00 4.44 N +ATOM 1377 CA VAL A 213 2.330 9.791 20.125 1.00 3.32 C +ATOM 1378 C VAL A 213 2.989 11.164 20.300 1.00 3.59 C +ATOM 1379 O VAL A 213 3.193 11.579 21.446 1.00 4.65 O +ATOM 1380 CB VAL A 213 0.930 9.755 20.784 1.00 2.38 C +ATOM 1381 CG1 VAL A 213 0.070 10.820 20.126 1.00 2.22 C +ATOM 1382 CG2 VAL A 213 0.297 8.353 20.662 1.00 2.00 C +ATOM 1383 N SER A 214 3.305 11.858 19.208 1.00 3.45 N +ATOM 1384 CA SER A 214 4.029 13.096 19.297 1.00 4.25 C +ATOM 1385 C SER A 214 3.295 14.255 18.640 1.00 5.56 C +ATOM 1386 O SER A 214 2.896 15.156 19.373 1.00 9.42 O +ATOM 1387 CB SER A 214 5.399 12.863 18.678 1.00 6.62 C +ATOM 1388 OG SER A 214 6.213 14.030 18.628 1.00 10.73 O +ATOM 1389 N TRP A 215 3.058 14.333 17.327 1.00 4.82 N +ATOM 1390 CA TRP A 215 2.390 15.485 16.774 1.00 5.22 C +ATOM 1391 C TRP A 215 1.674 15.153 15.463 1.00 7.06 C +ATOM 1392 O TRP A 215 1.581 13.988 15.074 1.00 5.16 O +ATOM 1393 CB TRP A 215 3.416 16.603 16.550 1.00 6.04 C +ATOM 1394 CG TRP A 215 4.529 16.344 15.526 1.00 4.26 C +ATOM 1395 CD1 TRP A 215 5.679 15.694 15.859 1.00 4.80 C +ATOM 1396 CD2 TRP A 215 4.555 16.816 14.231 1.00 7.71 C +ATOM 1397 NE1 TRP A 215 6.444 15.767 14.790 1.00 5.44 N +ATOM 1398 CE2 TRP A 215 5.821 16.423 13.804 1.00 6.71 C +ATOM 1399 CE3 TRP A 215 3.690 17.522 13.376 1.00 8.54 C +ATOM 1400 CZ2 TRP A 215 6.260 16.720 12.519 1.00 9.74 C +ATOM 1401 CZ3 TRP A 215 4.125 17.820 12.088 1.00 10.31 C +ATOM 1402 CH2 TRP A 215 5.402 17.425 11.661 1.00 7.56 C +ATOM 1403 N GLY A 216 1.093 16.157 14.788 1.00 8.49 N +ATOM 1404 CA GLY A 216 0.381 15.987 13.518 1.00 9.93 C +ATOM 1405 C GLY A 216 -0.362 17.288 13.210 1.00 11.95 C +ATOM 1406 O GLY A 216 -0.436 18.134 14.121 1.00 11.17 O +ATOM 1407 N SER A 217 -0.908 17.543 12.024 1.00 9.43 N +ATOM 1408 CA SER A 217 -1.638 18.788 11.813 1.00 10.62 C +ATOM 1409 C SER A 217 -3.107 18.474 12.024 1.00 9.24 C +ATOM 1410 O SER A 217 -3.649 17.719 11.212 1.00 10.17 O +ATOM 1411 CB SER A 217 -1.446 19.304 10.389 1.00 11.65 C +ATOM 1412 OG SER A 217 -0.056 19.390 10.106 1.00 23.47 O +ATOM 1413 N GLY A 219 -3.806 18.969 13.043 1.00 8.81 N +ATOM 1414 CA GLY A 219 -5.189 18.558 13.241 1.00 10.63 C +ATOM 1415 C GLY A 219 -5.198 17.059 13.552 1.00 10.90 C +ATOM 1416 O GLY A 219 -4.146 16.476 13.884 1.00 12.88 O +ATOM 1417 N CYS A 220 -6.348 16.415 13.421 1.00 9.60 N +ATOM 1418 CA CYS A 220 -6.439 14.996 13.690 1.00 7.09 C +ATOM 1419 C CYS A 220 -7.280 14.406 12.595 1.00 9.06 C +ATOM 1420 O CYS A 220 -8.324 14.971 12.254 1.00 9.41 O +ATOM 1421 CB CYS A 220 -7.135 14.716 15.013 1.00 9.94 C +ATOM 1422 SG CYS A 220 -6.313 15.525 16.417 1.00 10.79 S +ATOM 1423 N ALA A 221A -6.854 13.248 12.088 1.00 9.64 N +ATOM 1424 CA ALA A 221A -7.585 12.452 11.129 1.00 9.86 C +ATOM 1425 C ALA A 221A -7.909 13.179 9.826 1.00 13.81 C +ATOM 1426 O ALA A 221A -8.833 12.778 9.110 1.00 12.55 O +ATOM 1427 CB ALA A 221A -8.896 11.946 11.784 1.00 8.96 C +ATOM 1428 N GLN A 221 -7.103 14.176 9.482 1.00 13.41 N +ATOM 1429 CA GLN A 221 -7.298 14.985 8.301 1.00 15.56 C +ATOM 1430 C GLN A 221 -6.697 14.277 7.095 1.00 14.83 C +ATOM 1431 O GLN A 221 -5.702 13.553 7.219 1.00 13.19 O +ATOM 1432 CB GLN A 221 -6.607 16.323 8.500 1.00 18.50 C +ATOM 1433 CG GLN A 221 -7.490 17.523 8.339 1.00 29.10 C +ATOM 1434 CD GLN A 221 -8.150 17.954 9.628 1.00 33.70 C +ATOM 1435 OE1 GLN A 221 -9.112 17.357 10.111 1.00 35.81 O +ATOM 1436 NE2 GLN A 221 -7.671 19.033 10.247 1.00 38.87 N +ATOM 1437 N LYS A 222 -7.226 14.506 5.895 1.00 16.31 N +ATOM 1438 CA LYS A 222 -6.694 13.872 4.705 1.00 18.00 C +ATOM 1439 C LYS A 222 -5.269 14.356 4.452 1.00 17.30 C +ATOM 1440 O LYS A 222 -4.953 15.539 4.541 1.00 20.95 O +ATOM 1441 CB LYS A 222 -7.578 14.192 3.493 1.00 20.59 C +ATOM 1442 CG LYS A 222 -7.048 13.392 2.316 1.00 28.08 C +ATOM 1443 CD LYS A 222 -7.725 13.569 0.957 1.00 33.55 C +ATOM 1444 CE LYS A 222 -6.784 12.993 -0.121 1.00 37.90 C +ATOM 1445 NZ LYS A 222 -6.326 11.640 0.170 1.00 40.44 N +ATOM 1446 N ASN A 223 -4.387 13.414 4.179 1.00 16.17 N +ATOM 1447 CA ASN A 223 -2.971 13.596 3.898 1.00 16.85 C +ATOM 1448 C ASN A 223 -2.177 14.189 5.042 1.00 16.79 C +ATOM 1449 O ASN A 223 -1.086 14.735 4.841 1.00 16.52 O +ATOM 1450 CB ASN A 223 -2.740 14.475 2.685 1.00 21.85 C +ATOM 1451 CG ASN A 223 -3.288 13.902 1.401 1.00 27.23 C +ATOM 1452 OD1 ASN A 223 -3.197 12.711 1.114 1.00 30.53 O +ATOM 1453 ND2 ASN A 223 -3.954 14.708 0.579 1.00 30.04 N +ATOM 1454 N LYS A 224 -2.679 14.122 6.277 1.00 14.59 N +ATOM 1455 CA LYS A 224 -1.921 14.595 7.412 1.00 13.39 C +ATOM 1456 C LYS A 224 -1.941 13.504 8.486 1.00 13.88 C +ATOM 1457 O LYS A 224 -2.689 13.602 9.470 1.00 14.12 O +ATOM 1458 CB LYS A 224 -2.543 15.916 7.918 1.00 17.91 C +ATOM 1459 CG LYS A 224 -2.347 17.129 6.988 1.00 18.91 C +ATOM 1460 CD LYS A 224 -0.847 17.416 6.884 1.00 24.74 C +ATOM 1461 CE LYS A 224 -0.527 18.570 5.919 1.00 28.00 C +ATOM 1462 NZ LYS A 224 0.897 18.853 5.864 1.00 28.20 N +ATOM 1463 N PRO A 225 -1.176 12.402 8.323 1.00 13.37 N +ATOM 1464 CA PRO A 225 -1.117 11.286 9.272 1.00 10.84 C +ATOM 1465 C PRO A 225 -0.488 11.688 10.610 1.00 10.78 C +ATOM 1466 O PRO A 225 0.110 12.766 10.717 1.00 8.62 O +ATOM 1467 CB PRO A 225 -0.321 10.232 8.549 1.00 11.05 C +ATOM 1468 CG PRO A 225 0.659 11.053 7.717 1.00 11.55 C +ATOM 1469 CD PRO A 225 -0.269 12.147 7.199 1.00 13.60 C +ATOM 1470 N GLY A 226 -0.547 10.824 11.626 1.00 8.40 N +ATOM 1471 CA GLY A 226 0.060 11.156 12.900 1.00 7.16 C +ATOM 1472 C GLY A 226 1.563 10.975 12.786 1.00 7.53 C +ATOM 1473 O GLY A 226 2.042 10.112 12.033 1.00 8.20 O +ATOM 1474 N VAL A 227 2.341 11.757 13.546 1.00 4.70 N +ATOM 1475 CA VAL A 227 3.796 11.651 13.543 1.00 5.97 C +ATOM 1476 C VAL A 227 4.204 11.211 14.952 1.00 6.28 C +ATOM 1477 O VAL A 227 3.635 11.676 15.953 1.00 5.64 O +ATOM 1478 CB VAL A 227 4.460 12.982 13.208 1.00 7.76 C +ATOM 1479 CG1 VAL A 227 5.982 12.760 13.157 1.00 10.94 C +ATOM 1480 CG2 VAL A 227 3.941 13.514 11.875 1.00 7.01 C +ATOM 1481 N TYR A 228 5.157 10.275 14.999 1.00 5.61 N +ATOM 1482 CA TYR A 228 5.526 9.559 16.205 1.00 5.70 C +ATOM 1483 C TYR A 228 7.030 9.541 16.418 1.00 6.21 C +ATOM 1484 O TYR A 228 7.790 9.456 15.447 1.00 7.01 O +ATOM 1485 CB TYR A 228 4.968 8.109 16.076 1.00 4.81 C +ATOM 1486 CG TYR A 228 3.443 8.031 15.918 1.00 3.80 C +ATOM 1487 CD1 TYR A 228 2.655 7.991 17.072 1.00 4.76 C +ATOM 1488 CD2 TYR A 228 2.819 8.077 14.666 1.00 3.86 C +ATOM 1489 CE1 TYR A 228 1.264 8.014 16.990 1.00 4.96 C +ATOM 1490 CE2 TYR A 228 1.424 8.105 14.579 1.00 2.85 C +ATOM 1491 CZ TYR A 228 0.661 8.079 15.743 1.00 5.93 C +ATOM 1492 OH TYR A 228 -0.712 8.132 15.714 1.00 5.26 O +ATOM 1493 N THR A 229 7.456 9.585 17.679 1.00 6.16 N +ATOM 1494 CA THR A 229 8.856 9.460 18.041 1.00 5.40 C +ATOM 1495 C THR A 229 9.241 8.017 17.786 1.00 5.02 C +ATOM 1496 O THR A 229 8.529 7.096 18.189 1.00 6.37 O +ATOM 1497 CB THR A 229 9.097 9.792 19.543 1.00 5.22 C +ATOM 1498 OG1 THR A 229 8.446 11.035 19.811 1.00 5.67 O +ATOM 1499 CG2 THR A 229 10.598 9.881 19.874 1.00 2.86 C +ATOM 1500 N LYS A 230 10.380 7.831 17.133 1.00 5.10 N +ATOM 1501 CA LYS A 230 10.887 6.545 16.703 1.00 5.17 C +ATOM 1502 C LYS A 230 11.703 5.982 17.864 1.00 7.15 C +ATOM 1503 O LYS A 230 12.913 6.233 17.947 1.00 7.32 O +ATOM 1504 CB LYS A 230 11.732 6.786 15.402 1.00 2.80 C +ATOM 1505 CG LYS A 230 12.093 5.567 14.496 1.00 10.00 C +ATOM 1506 CD LYS A 230 12.644 6.042 13.108 1.00 14.02 C +ATOM 1507 CE LYS A 230 11.763 5.834 11.829 1.00 22.86 C +ATOM 1508 NZ LYS A 230 11.837 6.821 10.719 1.00 26.53 N +ATOM 1509 N VAL A 231 11.072 5.181 18.754 1.00 6.94 N +ATOM 1510 CA VAL A 231 11.713 4.687 19.977 1.00 7.40 C +ATOM 1511 C VAL A 231 12.940 3.816 19.696 1.00 6.91 C +ATOM 1512 O VAL A 231 13.871 3.827 20.511 1.00 5.86 O +ATOM 1513 CB VAL A 231 10.692 3.880 20.845 1.00 6.49 C +ATOM 1514 CG1 VAL A 231 11.351 3.389 22.138 1.00 5.66 C +ATOM 1515 CG2 VAL A 231 9.534 4.785 21.277 1.00 3.91 C +ATOM 1516 N CYS A 232 13.082 3.096 18.569 1.00 8.47 N +ATOM 1517 CA CYS A 232 14.274 2.271 18.394 1.00 8.49 C +ATOM 1518 C CYS A 232 15.549 3.105 18.329 1.00 10.22 C +ATOM 1519 O CYS A 232 16.629 2.624 18.690 1.00 10.97 O +ATOM 1520 CB CYS A 232 14.124 1.409 17.153 1.00 7.56 C +ATOM 1521 SG CYS A 232 13.955 2.356 15.619 1.00 10.51 S +ATOM 1522 N ASN A 233 15.483 4.419 18.060 1.00 7.57 N +ATOM 1523 CA ASN A 233 16.694 5.227 18.040 1.00 7.53 C +ATOM 1524 C ASN A 233 17.149 5.595 19.438 1.00 9.07 C +ATOM 1525 O ASN A 233 18.289 6.050 19.612 1.00 9.15 O +ATOM 1526 CB ASN A 233 16.484 6.527 17.295 1.00 8.15 C +ATOM 1527 CG ASN A 233 16.272 6.344 15.802 1.00 13.44 C +ATOM 1528 OD1 ASN A 233 16.364 5.238 15.268 1.00 12.06 O +ATOM 1529 ND2 ASN A 233 15.984 7.431 15.088 1.00 13.34 N +ATOM 1530 N TYR A 234 16.307 5.362 20.456 1.00 8.10 N +ATOM 1531 CA TYR A 234 16.606 5.825 21.811 1.00 7.22 C +ATOM 1532 C TYR A 234 16.907 4.757 22.829 1.00 9.56 C +ATOM 1533 O TYR A 234 17.125 5.052 24.005 1.00 9.35 O +ATOM 1534 CB TYR A 234 15.430 6.651 22.329 1.00 7.23 C +ATOM 1535 CG TYR A 234 15.204 7.906 21.500 1.00 6.82 C +ATOM 1536 CD1 TYR A 234 15.988 9.043 21.704 1.00 4.54 C +ATOM 1537 CD2 TYR A 234 14.233 7.881 20.498 1.00 3.52 C +ATOM 1538 CE1 TYR A 234 15.813 10.173 20.907 1.00 6.69 C +ATOM 1539 CE2 TYR A 234 14.055 9.000 19.690 1.00 6.84 C +ATOM 1540 CZ TYR A 234 14.836 10.132 19.901 1.00 7.74 C +ATOM 1541 OH TYR A 234 14.627 11.244 19.107 1.00 11.10 O +ATOM 1542 N VAL A 235 16.953 3.496 22.404 1.00 9.29 N +ATOM 1543 CA VAL A 235 17.099 2.386 23.330 1.00 8.54 C +ATOM 1544 C VAL A 235 18.374 2.474 24.176 1.00 9.97 C +ATOM 1545 O VAL A 235 18.297 2.234 25.388 1.00 9.34 O +ATOM 1546 CB VAL A 235 16.997 1.101 22.473 1.00 7.92 C +ATOM 1547 CG1 VAL A 235 17.324 -0.125 23.265 1.00 9.41 C +ATOM 1548 CG2 VAL A 235 15.533 0.923 22.035 1.00 8.60 C +ATOM 1549 N SER A 236 19.533 2.851 23.639 1.00 9.83 N +ATOM 1550 CA SER A 236 20.733 2.966 24.460 1.00 11.86 C +ATOM 1551 C SER A 236 20.617 4.120 25.441 1.00 11.49 C +ATOM 1552 O SER A 236 21.020 3.976 26.617 1.00 12.31 O +ATOM 1553 CB SER A 236 21.966 3.183 23.600 1.00 10.33 C +ATOM 1554 OG SER A 236 21.602 4.003 22.492 1.00 25.79 O +ATOM 1555 N TRP A 237 19.999 5.240 25.017 1.00 9.65 N +ATOM 1556 CA TRP A 237 19.809 6.341 25.969 1.00 10.66 C +ATOM 1557 C TRP A 237 18.887 5.899 27.101 1.00 8.16 C +ATOM 1558 O TRP A 237 19.185 6.154 28.268 1.00 10.60 O +ATOM 1559 CB TRP A 237 19.204 7.602 25.302 1.00 9.85 C +ATOM 1560 CG TRP A 237 18.779 8.693 26.306 1.00 9.33 C +ATOM 1561 CD1 TRP A 237 19.678 9.442 27.022 1.00 9.69 C +ATOM 1562 CD2 TRP A 237 17.477 9.029 26.597 1.00 10.18 C +ATOM 1563 NE1 TRP A 237 18.957 10.257 27.765 1.00 9.60 N +ATOM 1564 CE2 TRP A 237 17.649 10.048 27.549 1.00 9.74 C +ATOM 1565 CE3 TRP A 237 16.197 8.633 26.197 1.00 8.64 C +ATOM 1566 CZ2 TRP A 237 16.545 10.688 28.115 1.00 11.10 C +ATOM 1567 CZ3 TRP A 237 15.098 9.273 26.766 1.00 10.85 C +ATOM 1568 CH2 TRP A 237 15.264 10.297 27.722 1.00 9.77 C +ATOM 1569 N ILE A 238 17.784 5.225 26.822 1.00 8.95 N +ATOM 1570 CA ILE A 238 16.880 4.772 27.872 1.00 7.16 C +ATOM 1571 C ILE A 238 17.591 3.815 28.822 1.00 10.00 C +ATOM 1572 O ILE A 238 17.575 4.057 30.033 1.00 8.25 O +ATOM 1573 CB ILE A 238 15.663 4.085 27.235 1.00 8.21 C +ATOM 1574 CG1 ILE A 238 14.887 5.115 26.410 1.00 9.09 C +ATOM 1575 CG2 ILE A 238 14.818 3.439 28.304 1.00 7.45 C +ATOM 1576 CD1 ILE A 238 13.707 4.551 25.634 1.00 8.04 C +ATOM 1577 N LYS A 239 18.232 2.760 28.310 1.00 10.67 N +ATOM 1578 CA LYS A 239 18.900 1.771 29.146 1.00 12.85 C +ATOM 1579 C LYS A 239 19.976 2.394 30.031 1.00 13.33 C +ATOM 1580 O LYS A 239 20.069 2.088 31.231 1.00 12.91 O +ATOM 1581 CB LYS A 239 19.551 0.703 28.290 1.00 14.24 C +ATOM 1582 CG LYS A 239 18.677 -0.090 27.329 1.00 20.20 C +ATOM 1583 CD LYS A 239 17.696 -1.035 27.975 1.00 28.70 C +ATOM 1584 CE LYS A 239 17.337 -2.150 26.986 1.00 33.51 C +ATOM 1585 NZ LYS A 239 16.341 -3.073 27.529 1.00 38.05 N +ATOM 1586 N GLN A 240 20.785 3.292 29.465 1.00 13.11 N +ATOM 1587 CA GLN A 240 21.819 3.967 30.222 1.00 16.13 C +ATOM 1588 C GLN A 240 21.247 4.876 31.311 1.00 15.07 C +ATOM 1589 O GLN A 240 21.764 4.908 32.448 1.00 13.23 O +ATOM 1590 CB GLN A 240 22.692 4.797 29.283 1.00 20.76 C +ATOM 1591 CG GLN A 240 23.915 4.063 28.739 1.00 32.09 C +ATOM 1592 CD GLN A 240 23.712 3.018 27.638 1.00 38.36 C +ATOM 1593 OE1 GLN A 240 24.299 3.125 26.565 1.00 41.96 O +ATOM 1594 NE2 GLN A 240 22.952 1.935 27.774 1.00 41.15 N +ATOM 1595 N THR A 241 20.172 5.606 30.985 1.00 12.47 N +ATOM 1596 CA THR A 241 19.602 6.507 31.964 1.00 11.21 C +ATOM 1597 C THR A 241 18.965 5.699 33.097 1.00 12.06 C +ATOM 1598 O THR A 241 19.216 5.998 34.269 1.00 12.47 O +ATOM 1599 CB THR A 241 18.585 7.435 31.267 1.00 12.22 C +ATOM 1600 OG1 THR A 241 19.285 8.123 30.234 1.00 9.19 O +ATOM 1601 CG2 THR A 241 17.976 8.458 32.212 1.00 10.23 C +ATOM 1602 N ILE A 242 18.212 4.626 32.826 1.00 11.75 N +ATOM 1603 CA ILE A 242 17.642 3.790 33.878 1.00 15.41 C +ATOM 1604 C ILE A 242 18.758 3.123 34.666 1.00 15.26 C +ATOM 1605 O ILE A 242 18.613 2.889 35.869 1.00 17.30 O +ATOM 1606 CB ILE A 242 16.724 2.712 33.282 1.00 15.99 C +ATOM 1607 CG1 ILE A 242 15.557 3.394 32.627 1.00 16.38 C +ATOM 1608 CG2 ILE A 242 16.220 1.743 34.371 1.00 20.08 C +ATOM 1609 CD1 ILE A 242 14.677 2.338 31.908 1.00 20.55 C +ATOM 1610 N ALA A 243 19.894 2.813 34.053 1.00 14.30 N +ATOM 1611 CA ALA A 243 20.979 2.192 34.808 1.00 15.30 C +ATOM 1612 C ALA A 243 21.609 3.109 35.836 1.00 15.99 C +ATOM 1613 O ALA A 243 22.203 2.620 36.792 1.00 18.95 O +ATOM 1614 CB ALA A 243 22.085 1.730 33.871 1.00 15.57 C +ATOM 1615 N SER A 244 21.507 4.421 35.683 1.00 16.71 N +ATOM 1616 CA SER A 244 22.200 5.318 36.575 1.00 18.98 C +ATOM 1617 C SER A 244 21.250 6.216 37.339 1.00 18.99 C +ATOM 1618 O SER A 244 21.719 7.249 37.840 1.00 20.22 O +ATOM 1619 CB SER A 244 23.135 6.190 35.774 1.00 22.12 C +ATOM 1620 OG SER A 244 23.834 5.509 34.737 1.00 28.33 O +ATOM 1621 N ASN A 245 19.945 5.942 37.483 1.00 19.67 N +ATOM 1622 CA ASN A 245 19.063 6.905 38.120 1.00 17.94 C +ATOM 1623 C ASN A 245 17.963 6.308 38.982 1.00 17.61 C +ATOM 1624 O ASN A 245 17.194 7.050 39.581 1.00 18.62 O +ATOM 1625 CB ASN A 245 18.423 7.805 37.049 1.00 15.10 C +ATOM 1626 CG ASN A 245 19.371 8.795 36.412 1.00 14.70 C +ATOM 1627 OD1 ASN A 245 19.995 8.565 35.375 1.00 14.76 O +ATOM 1628 ND2 ASN A 245 19.503 9.964 37.006 1.00 15.12 N +ATOM 1629 OXT ASN A 245 17.848 5.108 39.108 1.00 17.47 O +TER 1630 ASN A 245 +HETATM 1631 CA CA A 246 -10.281 4.349 37.022 1.00 12.55 CA +HETATM 1632 S SO4 A 901 -1.510 17.496 23.249 1.00 29.81 S +HETATM 1633 O1 SO4 A 901 -2.303 17.445 24.404 1.00 28.35 O +HETATM 1634 O2 SO4 A 901 -0.129 17.510 23.534 1.00 32.70 O +HETATM 1635 O3 SO4 A 901 -1.846 16.354 22.466 1.00 34.73 O +HETATM 1636 O4 SO4 A 901 -1.794 18.660 22.490 1.00 34.05 O +HETATM 1637 N1 GP6 A 910 -2.799 13.984 14.449 1.00 11.34 N +HETATM 1638 N2 GP6 A 910 -2.006 12.213 15.666 1.00 13.91 N +HETATM 1639 C1 GP6 A 910 -2.301 13.508 15.582 1.00 10.23 C +HETATM 1640 C2 GP6 A 910 -1.887 14.370 16.605 1.00 10.14 C +HETATM 1641 C3 GP6 A 910 -1.937 15.761 16.467 1.00 11.14 C +HETATM 1642 C4 GP6 A 910 -1.541 16.611 17.504 1.00 11.20 C +HETATM 1643 C5 GP6 A 910 -1.078 16.086 18.720 1.00 15.83 C +HETATM 1644 C6 GP6 A 910 -1.027 14.699 18.866 1.00 12.39 C +HETATM 1645 C7 GP6 A 910 -1.425 13.863 17.820 1.00 9.07 C +HETATM 1646 N3 GP6 A 910 -0.672 16.876 19.746 1.00 19.39 N +HETATM 1647 C8 GP6 A 910 0.240 17.860 19.651 1.00 21.22 C +HETATM 1648 O1 GP6 A 910 0.774 18.199 18.584 1.00 21.77 O +HETATM 1649 N4 GP6 A 910 0.531 18.453 20.815 1.00 23.75 N +HETATM 1650 C9 GP6 A 910 1.546 19.294 21.074 1.00 24.91 C +HETATM 1651 C10 GP6 A 910 1.398 20.238 22.094 1.00 24.80 C +HETATM 1652 C11 GP6 A 910 2.444 21.108 22.411 1.00 25.49 C +HETATM 1653 C12 GP6 A 910 3.641 21.047 21.698 1.00 27.19 C +HETATM 1654 C13 GP6 A 910 3.794 20.119 20.675 1.00 28.40 C +HETATM 1655 C14 GP6 A 910 2.750 19.247 20.362 1.00 27.25 C +HETATM 1656 CL GP6 A 910 4.950 22.099 22.054 1.00 30.61 CL +HETATM 1657 S DMS A 300 -10.891 9.082 39.735 1.00 31.45 S +HETATM 1658 O DMS A 300 -9.578 8.484 39.866 1.00 28.98 O +HETATM 1659 C1 DMS A 300 -11.518 9.443 41.354 1.00 29.41 C +HETATM 1660 C2 DMS A 300 -10.674 10.741 39.142 1.00 25.64 C +HETATM 1661 O HOH A 501 -3.960 9.458 26.635 1.00 7.00 O +HETATM 1662 O HOH A 502 -0.934 0.533 22.476 1.00 7.09 O +HETATM 1663 O HOH A 503 4.911 5.903 25.302 1.00 11.68 O +HETATM 1664 O HOH A 504 -2.051 7.930 24.883 1.00 6.12 O +HETATM 1665 O HOH A 505 5.368 -6.887 33.376 1.00 26.76 O +HETATM 1666 O HOH A 506 -7.581 8.976 36.672 1.00 10.52 O +HETATM 1667 O HOH A 507 -5.812 10.616 35.059 1.00 9.39 O +HETATM 1668 O HOH A 508 -9.378 8.476 22.746 1.00 3.43 O +HETATM 1669 O HOH A 509 -12.040 6.479 18.729 1.00 17.88 O +HETATM 1670 O HOH A 510 -11.656 0.405 27.177 1.00 14.18 O +HETATM 1671 O HOH A 511 -8.159 -0.125 30.036 1.00 20.04 O +HETATM 1672 O HOH A 512 -3.435 3.346 33.348 1.00 12.31 O +HETATM 1673 O HOH A 513 0.768 11.548 16.616 1.00 8.12 O +HETATM 1674 O HOH A 514 -3.892 8.815 10.260 1.00 13.63 O +HETATM 1675 O HOH A 515 -4.771 11.488 9.947 1.00 14.85 O +HETATM 1676 O HOH A 516 -4.660 15.068 10.846 1.00 22.54 O +HETATM 1677 O HOH A 517 -2.649 3.406 5.482 1.00 22.86 O +HETATM 1678 O HOH A 518 7.249 7.083 8.299 1.00 13.49 O +HETATM 1679 O HOH A 519 8.474 -4.491 16.827 1.00 18.98 O +HETATM 1680 O HOH A 520 10.956 2.697 16.744 1.00 7.06 O +HETATM 1681 O HOH A 522 -8.733 0.068 14.575 1.00 11.42 O +HETATM 1682 O HOH A 523 -14.010 -0.190 28.421 1.00 10.01 O +HETATM 1683 O HOH A 524 -4.683 -1.752 32.718 1.00 18.26 O +HETATM 1684 O HOH A 525 -5.797 -1.336 29.468 1.00 15.59 O +HETATM 1685 O HOH A 526 -4.525 0.695 31.446 1.00 19.80 O +HETATM 1686 O HOH A 527 -1.358 0.391 33.203 1.00 15.35 O +HETATM 1687 O HOH A 528 -0.773 -4.602 22.947 1.00 25.80 O +HETATM 1688 O HOH A 529 -8.328 13.737 38.065 1.00 20.36 O +HETATM 1689 O HOH A 530 16.304 2.891 38.543 1.00 18.39 O +HETATM 1690 O HOH A 531 10.193 -4.417 36.556 1.00 29.39 O +HETATM 1691 O HOH A 532 7.605 21.476 24.971 1.00 14.42 O +HETATM 1692 O HOH A 533 8.956 26.202 21.545 1.00 23.39 O +HETATM 1693 O HOH A 534 13.594 24.646 21.943 1.00 36.06 O +HETATM 1694 O HOH A 535 -2.291 3.362 44.378 1.00 25.63 O +HETATM 1695 O HOH A 536 19.517 9.415 22.474 1.00 19.79 O +HETATM 1696 O HOH A 537 20.026 6.240 22.104 1.00 17.49 O +HETATM 1697 O HOH A 538 24.402 15.169 26.685 1.00 29.16 O +HETATM 1698 O HOH A 540 12.398 22.738 26.139 1.00 17.73 O +HETATM 1699 O HOH A 541 13.464 22.522 23.678 1.00 18.58 O +HETATM 1700 O HOH A 542 11.261 20.805 27.694 1.00 19.58 O +HETATM 1701 O HOH A 543 8.541 20.252 27.396 1.00 24.16 O +HETATM 1702 O HOH A 545 11.316 12.948 17.641 1.00 8.92 O +HETATM 1703 O HOH A 546 8.744 13.864 17.255 1.00 14.22 O +HETATM 1704 O HOH A 548 -2.118 20.163 15.200 1.00 22.69 O +HETATM 1705 O HOH A 549 -1.744 22.958 14.783 1.00 27.36 O +HETATM 1706 O HOH A 550 -1.103 22.627 11.800 1.00 42.67 O +HETATM 1707 O HOH A 551 -9.605 6.145 38.147 1.00 13.56 O +HETATM 1708 O HOH A 552 -10.305 2.452 35.953 1.00 14.83 O +HETATM 1709 O HOH A 553 -9.085 -0.013 37.161 1.00 17.30 O +HETATM 1710 O HOH A 554 -10.165 -2.175 35.948 1.00 21.39 O +HETATM 1711 O HOH A 557 -16.718 0.504 28.497 1.00 26.63 O +HETATM 1712 O HOH A 558 -14.147 8.932 16.610 1.00 20.94 O +HETATM 1713 O HOH A 562 2.344 1.639 4.883 1.00 21.71 O +HETATM 1714 O HOH A 563 -0.386 1.667 4.501 1.00 32.67 O +HETATM 1715 O HOH A 567 3.150 -8.429 34.636 1.00 28.49 O +HETATM 1716 O HOH A 570 19.250 -0.481 32.048 1.00 24.26 O +HETATM 1717 O HOH A 571 17.121 -3.781 38.769 1.00 33.84 O +HETATM 1718 O HOH A 580 10.917 24.912 25.488 1.00 38.62 O +HETATM 1719 O HOH A 581 -2.102 7.991 13.412 1.00 9.63 O +HETATM 1720 O HOH A 582 -16.400 2.738 33.203 1.00 41.09 O +HETATM 1721 O HOH A 583 -3.030 -3.031 39.996 1.00 22.68 O +HETATM 1722 O HOH A 590 1.364 0.260 43.796 1.00 31.85 O +HETATM 1723 O HOH A 593 -1.364 22.691 23.257 1.00 33.19 O +HETATM 1724 O HOH A 598 3.352 4.420 2.819 1.00 31.89 O +HETATM 1725 O HOH A 599 -8.564 18.376 12.973 1.00 23.49 O +HETATM 1726 O HOH A 604 -16.135 0.515 20.349 1.00 32.42 O +HETATM 1727 O HOH A 606 9.952 16.157 5.889 1.00 23.18 O +HETATM 1728 O HOH A 609 10.125 19.157 12.465 1.00 19.83 O +HETATM 1729 O HOH A 610 3.942 1.312 44.708 1.00 29.53 O +HETATM 1730 O HOH A 611 5.612 -6.477 40.918 1.00 38.04 O +HETATM 1731 O HOH A 617 2.122 11.774 1.579 1.00 35.06 O +HETATM 1732 O HOH A 620 -14.304 -2.884 29.065 1.00 34.47 O +HETATM 1733 O HOH A 621 -9.067 13.982 34.007 1.00 22.14 O +HETATM 1734 O HOH A 622 -8.175 16.141 31.088 1.00 29.59 O +HETATM 1735 O HOH A 623 10.128 0.347 45.834 1.00 30.49 O +HETATM 1736 O HOH A 628 0.194 2.404 44.991 1.00 35.92 O +HETATM 1737 O HOH A 630 17.921 20.748 24.349 1.00 35.92 O +HETATM 1738 O HOH A 632 1.826 -5.500 15.587 1.00 30.76 O +HETATM 1739 O HOH A 641 -10.140 12.191 35.925 1.00 30.12 O +HETATM 1740 O HOH A 653 23.753 12.631 25.467 1.00 42.17 O +HETATM 1741 O HOH A 656 -14.793 13.292 29.545 1.00 21.19 O +HETATM 1742 O HOH A 657 16.165 20.025 15.633 1.00 27.02 O +HETATM 1743 O HOH A 658 -11.918 22.665 15.868 1.00 24.06 O +HETATM 1744 O HOH A 660 -8.591 18.628 19.419 1.00 37.79 O +HETATM 1745 O HOH A 661 -10.352 18.172 16.556 1.00 39.37 O +HETATM 1746 O HOH A 664 12.793 -4.038 27.479 1.00 29.24 O +HETATM 1747 O HOH A 666 6.605 24.863 22.288 1.00 29.87 O +HETATM 1748 O HOH A 667 -11.181 1.471 14.159 1.00 20.90 O +HETATM 1749 O HOH A 668 -8.321 0.477 11.618 1.00 36.16 O +HETATM 1750 O HOH A 670 -0.606 15.153 40.408 1.00 39.63 O +HETATM 1751 O HOH A 673 12.771 22.813 6.978 1.00 37.19 O +HETATM 1752 O HOH A 676 2.452 21.271 37.636 1.00 39.70 O +HETATM 1753 O HOH A 680 3.364 8.301 45.441 1.00 39.99 O +HETATM 1754 O HOH A 682 6.528 21.521 15.280 1.00 30.45 O +HETATM 1755 O HOH A 684 -9.725 16.004 5.667 1.00 35.43 O +HETATM 1756 O HOH A 685 19.610 3.234 20.657 1.00 38.75 O +HETATM 1757 O HOH A 686 5.040 21.311 25.910 1.00 41.75 O +CONECT 48 1007 +CONECT 185 298 +CONECT 298 185 +CONECT 384 1631 +CONECT 397 1631 +CONECT 421 1631 +CONECT 461 1631 +CONECT 811 1521 +CONECT 853 1327 +CONECT 1007 48 +CONECT 1084 1190 +CONECT 1190 1084 +CONECT 1265 1422 +CONECT 1327 853 +CONECT 1422 1265 +CONECT 1521 811 +CONECT 1631 384 397 421 461 +CONECT 1631 1707 1708 +CONECT 1632 1633 1634 1635 1636 +CONECT 1633 1632 +CONECT 1634 1632 +CONECT 1635 1632 +CONECT 1636 1632 +CONECT 1637 1639 +CONECT 1638 1639 +CONECT 1639 1637 1638 1640 +CONECT 1640 1639 1641 1645 +CONECT 1641 1640 1642 +CONECT 1642 1641 1643 +CONECT 1643 1642 1644 1646 +CONECT 1644 1643 1645 +CONECT 1645 1640 1644 +CONECT 1646 1643 1647 +CONECT 1647 1646 1648 1649 +CONECT 1648 1647 +CONECT 1649 1647 1650 +CONECT 1650 1649 1651 1655 +CONECT 1651 1650 1652 +CONECT 1652 1651 1653 +CONECT 1653 1652 1654 1656 +CONECT 1654 1653 1655 +CONECT 1655 1650 1654 +CONECT 1656 1653 +CONECT 1657 1658 1659 1660 +CONECT 1658 1657 +CONECT 1659 1657 +CONECT 1660 1657 +CONECT 1707 1631 +CONECT 1708 1631 +MASTER 307 0 4 4 10 0 9 6 1756 1 49 18 +END |