diff options
Diffstat (limited to 'plip/test/pdb/3ems.pdb')
| -rw-r--r-- | plip/test/pdb/3ems.pdb | 1586 |
1 files changed, 1586 insertions, 0 deletions
diff --git a/plip/test/pdb/3ems.pdb b/plip/test/pdb/3ems.pdb new file mode 100644 index 0000000..db05ad4 --- /dev/null +++ b/plip/test/pdb/3ems.pdb @@ -0,0 +1,1586 @@ +HEADER HYDROLASE 25-SEP-08 3EMS +TITLE EFFECT OF ARIGININE ON LYSOZYME +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: LYSOZYME C; +COMPND 3 CHAIN: A; +COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C, ALLERGEN GAL D IV; +COMPND 5 EC: 3.2.1.17 +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; +SOURCE 3 ORGANISM_COMMON: CHICKEN; +SOURCE 4 ORGANISM_TAXID: 9031; +SOURCE 5 TISSUE: EGG +KEYWDS LYSOZYME, HYDROLASE, GLYCOSIDASE, BACTERIOLYTIC ENZYME, +KEYWDS 2 ARGININE, ALLERGEN, ANTIMICROBIAL +EXPDTA X-RAY DIFFRACTION +AUTHOR L.ITO,K.SHIRAKI,T.MATSUURA,H.YAMAGUHI +REVDAT 2 24-FEB-09 3EMS 1 VERSN +REVDAT 1 21-OCT-08 3EMS 0 +JRNL AUTH L.ITO,K.SHIRAKI,T.MATSUURA,H.YAMAGUHI +JRNL TITL EFFECT OF ARIGININE ON LYSOZYME +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. 1.65 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.2.0019 +REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.65 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 33.69 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 90.2 +REMARK 3 NUMBER OF REFLECTIONS : 13066 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.207 +REMARK 3 R VALUE (WORKING SET) : 0.206 +REMARK 3 FREE R VALUE : 0.235 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 657 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.65 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.69 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 229 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 22.61 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2860 +REMARK 3 BIN FREE R VALUE SET COUNT : 10 +REMARK 3 BIN FREE R VALUE : 0.3720 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1029 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 50 +REMARK 3 SOLVENT ATOMS : 113 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 12.07 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.15000 +REMARK 3 B22 (A**2) : -0.15000 +REMARK 3 B33 (A**2) : 0.29000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.139 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.125 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.064 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.823 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.933 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.919 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1079 ; 0.006 ; 0.021 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1462 ; 0.979 ; 1.910 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 135 ; 5.377 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 54 ;33.128 ;22.037 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 180 ;11.837 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 15 ;13.149 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 150 ; 0.079 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 842 ; 0.003 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 540 ; 0.197 ; 0.200 +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 741 ; 0.294 ; 0.200 +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 67 ; 0.108 ; 0.200 +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 2 ; 0.081 ; 0.200 +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 38 ; 0.180 ; 0.200 +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 11 ; 0.110 ; 0.200 +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 663 ; 0.363 ; 1.500 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1055 ; 0.696 ; 2.000 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 449 ; 1.172 ; 3.000 +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 405 ; 1.880 ; 4.500 +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE +REMARK 3 RIDING POSITIONS +REMARK 4 +REMARK 4 3EMS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 30-SEP-08. +REMARK 100 THE RCSB ID CODE IS RCSB049518. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 15-JUL-08 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 4.5 +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 ULTRAX 18 +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.54184 +REMARK 200 MONOCHROMATOR : NI FILTER +REMARK 200 OPTICS : RIGAKU RAXIS IV +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM +REMARK 200 DATA SCALING SOFTWARE : SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13095 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.651 +REMARK 200 RESOLUTION RANGE LOW (A) : 33.690 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 90.3 +REMARK 200 DATA REDUNDANCY : 6.400 +REMARK 200 R MERGE (I) : 0.04800 +REMARK 200 R SYM (I) : 0.04800 +REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 11.1820 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.65 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.74 +REMARK 200 COMPLETENESS FOR SHELL (%) : 48.7 +REMARK 200 DATA REDUNDANCY IN SHELL : 2.00 +REMARK 200 R MERGE FOR SHELL (I) : 0.10700 +REMARK 200 R SYM FOR SHELL (I) : 0.10700 +REMARK 200 <I/SIGMA(I)> FOR SHELL : 6.500 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: MOLREP +REMARK 200 STARTING MODEL: 1HEL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 38.44 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 1.5M NACL, 0.5M ARG, PH 4.5, VAPOR +REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 298K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 +REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 +REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 +REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 +REMARK 290 7555 Y,X,-Z +REMARK 290 8555 -Y,-X,-Z+1/2 +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.65600 +REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.17850 +REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.17850 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.98400 +REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.17850 +REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.17850 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.32800 +REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.17850 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.17850 +REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.98400 +REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.17850 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.17850 +REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.32800 +REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.65600 +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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +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 375 +REMARK 375 SPECIAL POSITION +REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS +REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL +REMARK 375 POSITIONS. +REMARK 375 +REMARK 375 ATOM RES CSSEQI +REMARK 375 HOH A 194 LIES ON A SPECIAL POSITION. +REMARK 375 HOH A 195 LIES ON A SPECIAL POSITION. +REMARK 615 +REMARK 615 ZERO OCCUPANCY ATOM +REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO +REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS +REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 615 M RES C SSEQI +REMARK 615 ARG A 131 +REMARK 615 ARG A 132 +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 NA A 135 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 SER A 60 O +REMARK 620 2 CYS A 64 O 85.0 +REMARK 620 3 SER A 72 OG 87.3 165.2 +REMARK 620 4 ARG A 73 O 89.5 91.0 101.5 +REMARK 620 5 HOH A 166 O 176.0 98.8 89.2 89.2 +REMARK 620 6 HOH A 157 O 101.9 86.6 82.7 168.1 79.6 +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 ARG A 130 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ARG A 133 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 134 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 135 +DBREF 3EMS A 1 129 UNP P00698 LYSC_CHICK 19 147 +SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS +SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY +SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN +SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP +SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN +SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE +SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER +SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY +SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY +SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU +HET ARG A 130 12 +HET ARG A 131 12 +HET ARG A 132 12 +HET ARG A 133 12 +HET CL A 134 1 +HET NA A 135 1 +HETNAM ARG ARGININE +HETNAM CL CHLORIDE ION +HETNAM NA SODIUM ION +FORMUL 2 ARG 4(C6 H15 N4 O2 1+) +FORMUL 6 CL CL 1- +FORMUL 7 NA NA 1+ +FORMUL 8 HOH *113(H2 O) +HELIX 1 1 GLY A 4 HIS A 15 1 12 +HELIX 2 2 ASN A 19 TYR A 23 5 5 +HELIX 3 3 SER A 24 ASN A 37 1 14 +HELIX 4 4 PRO A 79 SER A 85 5 7 +HELIX 5 5 ILE A 88 SER A 100 1 13 +HELIX 6 6 ASN A 103 ALA A 107 5 5 +HELIX 7 7 TRP A 108 CYS A 115 1 8 +HELIX 8 8 ASP A 119 ARG A 125 5 7 +SHEET 1 A 3 THR A 43 ARG A 45 0 +SHEET 2 A 3 THR A 51 TYR A 53 -1 O ASP A 52 N ASN A 44 +SHEET 3 A 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 +SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.03 +SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.03 +SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.04 +SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.04 +LINK O SER A 60 NA NA A 135 1555 1555 2.39 +LINK O CYS A 64 NA NA A 135 1555 1555 2.49 +LINK OG SER A 72 NA NA A 135 1555 1555 2.51 +LINK O ARG A 73 NA NA A 135 1555 1555 2.50 +LINK NA NA A 135 O HOH A 166 1555 1555 2.30 +LINK NA NA A 135 O HOH A 157 1555 1555 2.46 +SITE 1 AC1 8 ARG A 21 GLU A 35 TRP A 108 VAL A 109 +SITE 2 AC1 8 ALA A 110 HOH A 162 HOH A 214 HOH A 219 +SITE 1 AC2 6 ARG A 5 GLY A 117 ALA A 122 TRP A 123 +SITE 2 AC2 6 ARG A 125 HOH A 226 +SITE 1 AC3 2 TYR A 23 ASN A 113 +SITE 1 AC4 6 SER A 60 CYS A 64 SER A 72 ARG A 73 +SITE 2 AC4 6 HOH A 157 HOH A 166 +CRYST1 78.357 78.357 37.312 90.00 90.00 90.00 P 43 21 2 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.012762 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.012762 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.026801 0.00000 +ATOM 1 N LYS A 1 -10.002 -2.894 8.708 1.00 11.13 N +ATOM 2 CA LYS A 1 -10.458 -1.922 9.738 1.00 11.25 C +ATOM 3 C LYS A 1 -11.965 -2.013 9.927 1.00 11.04 C +ATOM 4 O LYS A 1 -12.719 -2.024 8.952 1.00 10.78 O +ATOM 5 CB LYS A 1 -10.067 -0.492 9.340 1.00 11.44 C +ATOM 6 CG LYS A 1 -10.553 0.586 10.302 1.00 12.20 C +ATOM 7 CD LYS A 1 -10.057 1.952 9.903 1.00 13.07 C +ATOM 8 CE LYS A 1 -10.683 3.035 10.769 1.00 14.39 C +ATOM 9 NZ LYS A 1 -10.124 4.381 10.451 1.00 17.66 N +ATOM 10 N VAL A 2 -12.389 -2.080 11.184 1.00 11.02 N +ATOM 11 CA VAL A 2 -13.802 -2.005 11.522 1.00 11.10 C +ATOM 12 C VAL A 2 -14.086 -0.584 12.005 1.00 10.92 C +ATOM 13 O VAL A 2 -13.609 -0.169 13.068 1.00 11.16 O +ATOM 14 CB VAL A 2 -14.208 -3.058 12.589 1.00 11.06 C +ATOM 15 CG1 VAL A 2 -15.678 -2.909 12.965 1.00 11.18 C +ATOM 16 CG2 VAL A 2 -13.933 -4.478 12.082 1.00 11.63 C +ATOM 17 N PHE A 3 -14.839 0.165 11.203 1.00 10.70 N +ATOM 18 CA PHE A 3 -15.216 1.536 11.546 1.00 10.88 C +ATOM 19 C PHE A 3 -16.302 1.578 12.607 1.00 10.94 C +ATOM 20 O PHE A 3 -17.148 0.690 12.682 1.00 10.92 O +ATOM 21 CB PHE A 3 -15.741 2.273 10.310 1.00 10.78 C +ATOM 22 CG PHE A 3 -14.669 2.869 9.450 1.00 10.85 C +ATOM 23 CD1 PHE A 3 -13.991 2.093 8.512 1.00 10.46 C +ATOM 24 CD2 PHE A 3 -14.349 4.222 9.560 1.00 10.89 C +ATOM 25 CE1 PHE A 3 -12.995 2.652 7.708 1.00 12.10 C +ATOM 26 CE2 PHE A 3 -13.359 4.791 8.762 1.00 11.01 C +ATOM 27 CZ PHE A 3 -12.680 4.009 7.829 1.00 11.90 C +ATOM 28 N GLY A 4 -16.279 2.634 13.414 1.00 11.25 N +ATOM 29 CA GLY A 4 -17.428 2.998 14.223 1.00 11.38 C +ATOM 30 C GLY A 4 -18.419 3.726 13.335 1.00 11.44 C +ATOM 31 O GLY A 4 -18.056 4.228 12.266 1.00 11.29 O +ATOM 32 N ARG A 5 -19.674 3.772 13.771 1.00 11.75 N +ATOM 33 CA ARG A 5 -20.751 4.403 13.008 1.00 11.91 C +ATOM 34 C ARG A 5 -20.436 5.857 12.634 1.00 11.80 C +ATOM 35 O ARG A 5 -20.405 6.218 11.449 1.00 11.78 O +ATOM 36 CB ARG A 5 -22.044 4.329 13.815 1.00 11.84 C +ATOM 37 CG ARG A 5 -23.240 4.963 13.154 1.00 12.38 C +ATOM 38 CD ARG A 5 -24.505 4.750 13.979 1.00 13.29 C +ATOM 39 NE ARG A 5 -24.395 5.285 15.336 1.00 14.58 N +ATOM 40 CZ ARG A 5 -24.656 6.548 15.679 1.00 14.72 C +ATOM 41 NH1 ARG A 5 -25.052 7.430 14.768 1.00 12.70 N +ATOM 42 NH2 ARG A 5 -24.527 6.926 16.945 1.00 14.93 N +ATOM 43 N CYS A 6 -20.188 6.683 13.646 1.00 11.68 N +ATOM 44 CA CYS A 6 -19.884 8.094 13.422 1.00 11.72 C +ATOM 45 C CYS A 6 -18.525 8.302 12.745 1.00 11.46 C +ATOM 46 O CYS A 6 -18.362 9.218 11.936 1.00 11.52 O +ATOM 47 CB CYS A 6 -19.968 8.874 14.731 1.00 11.67 C +ATOM 48 SG CYS A 6 -21.648 9.020 15.362 1.00 13.23 S +ATOM 49 N GLU A 7 -17.564 7.440 13.074 1.00 11.09 N +ATOM 50 CA GLU A 7 -16.251 7.445 12.427 1.00 10.99 C +ATOM 51 C GLU A 7 -16.377 7.268 10.909 1.00 10.64 C +ATOM 52 O GLU A 7 -15.759 8.004 10.137 1.00 10.52 O +ATOM 53 CB GLU A 7 -15.355 6.350 13.025 1.00 11.31 C +ATOM 54 CG GLU A 7 -13.925 6.368 12.504 1.00 12.33 C +ATOM 55 CD GLU A 7 -13.101 5.170 12.959 1.00 13.31 C +ATOM 56 OE1 GLU A 7 -13.678 4.149 13.393 1.00 13.68 O +ATOM 57 OE2 GLU A 7 -11.859 5.254 12.870 1.00 14.43 O +ATOM 58 N LEU A 8 -17.186 6.299 10.488 1.00 10.21 N +ATOM 59 CA LEU A 8 -17.399 6.067 9.059 1.00 10.17 C +ATOM 60 C LEU A 8 -18.156 7.213 8.396 1.00 10.12 C +ATOM 61 O LEU A 8 -17.845 7.593 7.261 1.00 10.18 O +ATOM 62 CB LEU A 8 -18.135 4.746 8.817 1.00 10.03 C +ATOM 63 CG LEU A 8 -18.302 4.404 7.332 1.00 10.30 C +ATOM 64 CD1 LEU A 8 -16.955 4.270 6.614 1.00 10.76 C +ATOM 65 CD2 LEU A 8 -19.124 3.144 7.182 1.00 10.22 C +ATOM 66 N ALA A 9 -19.155 7.747 9.098 1.00 10.21 N +ATOM 67 CA ALA A 9 -19.908 8.899 8.610 1.00 10.57 C +ATOM 68 C ALA A 9 -18.946 10.046 8.284 1.00 10.63 C +ATOM 69 O ALA A 9 -18.997 10.622 7.195 1.00 10.38 O +ATOM 70 CB ALA A 9 -20.959 9.334 9.640 1.00 10.50 C +ATOM 71 N ALA A 10 -18.039 10.333 9.218 1.00 11.04 N +ATOM 72 CA ALA A 10 -17.042 11.389 9.039 1.00 11.03 C +ATOM 73 C ALA A 10 -16.110 11.120 7.856 1.00 10.96 C +ATOM 74 O ALA A 10 -15.822 12.024 7.069 1.00 11.17 O +ATOM 75 CB ALA A 10 -16.241 11.583 10.322 1.00 11.24 C +ATOM 76 N ALA A 11 -15.642 9.878 7.734 1.00 10.73 N +ATOM 77 CA ALA A 11 -14.767 9.490 6.629 1.00 10.42 C +ATOM 78 C ALA A 11 -15.479 9.626 5.284 1.00 10.25 C +ATOM 79 O ALA A 11 -14.899 10.102 4.313 1.00 10.32 O +ATOM 80 CB ALA A 11 -14.257 8.071 6.821 1.00 9.97 C +ATOM 81 N MET A 12 -16.743 9.209 5.241 1.00 10.53 N +ATOM 82 CA MET A 12 -17.530 9.295 4.014 1.00 10.91 C +ATOM 83 C MET A 12 -17.757 10.745 3.595 1.00 11.56 C +ATOM 84 O MET A 12 -17.629 11.081 2.417 1.00 11.33 O +ATOM 85 CB MET A 12 -18.854 8.555 4.175 1.00 10.91 C +ATOM 86 CG MET A 12 -18.710 7.047 4.072 1.00 9.87 C +ATOM 87 SD MET A 12 -20.251 6.200 4.440 1.00 10.56 S +ATOM 88 CE MET A 12 -19.916 4.571 3.758 1.00 9.60 C +ATOM 89 N LYS A 13 -18.076 11.596 4.570 1.00 12.41 N +ATOM 90 CA LYS A 13 -18.261 13.025 4.317 1.00 13.55 C +ATOM 91 C LYS A 13 -16.966 13.650 3.796 1.00 13.98 C +ATOM 92 O LYS A 13 -16.990 14.415 2.828 1.00 13.98 O +ATOM 93 CB LYS A 13 -18.738 13.746 5.581 1.00 13.78 C +ATOM 94 CG LYS A 13 -18.939 15.241 5.387 1.00 14.50 C +ATOM 95 CD LYS A 13 -19.598 15.894 6.582 1.00 16.43 C +ATOM 96 CE LYS A 13 -19.858 17.362 6.286 1.00 17.65 C +ATOM 97 NZ LYS A 13 -20.631 18.023 7.373 1.00 18.93 N +ATOM 98 N ARG A 14 -15.841 13.307 4.427 1.00 14.51 N +ATOM 99 CA ARG A 14 -14.541 13.837 4.023 1.00 15.39 C +ATOM 100 C ARG A 14 -14.241 13.514 2.561 1.00 15.45 C +ATOM 101 O ARG A 14 -13.678 14.342 1.842 1.00 15.80 O +ATOM 102 CB ARG A 14 -13.412 13.330 4.932 1.00 15.78 C +ATOM 103 CG ARG A 14 -12.056 13.930 4.565 1.00 17.69 C +ATOM 104 CD ARG A 14 -10.986 13.700 5.615 1.00 20.15 C +ATOM 105 NE ARG A 14 -10.240 12.458 5.409 1.00 22.52 N +ATOM 106 CZ ARG A 14 -9.291 12.278 4.489 1.00 23.45 C +ATOM 107 NH1 ARG A 14 -8.958 13.251 3.644 1.00 23.41 N +ATOM 108 NH2 ARG A 14 -8.677 11.106 4.408 1.00 24.74 N +ATOM 109 N HIS A 15 -14.639 12.314 2.135 1.00 15.19 N +ATOM 110 CA HIS A 15 -14.425 11.851 0.765 1.00 15.03 C +ATOM 111 C HIS A 15 -15.585 12.207 -0.175 1.00 15.05 C +ATOM 112 O HIS A 15 -15.679 11.684 -1.290 1.00 15.29 O +ATOM 113 CB HIS A 15 -14.115 10.351 0.750 1.00 15.15 C +ATOM 114 CG HIS A 15 -12.801 10.006 1.381 1.00 14.62 C +ATOM 115 ND1 HIS A 15 -12.677 9.688 2.717 1.00 14.68 N +ATOM 116 CD2 HIS A 15 -11.551 9.954 0.865 1.00 15.23 C +ATOM 117 CE1 HIS A 15 -11.409 9.443 2.994 1.00 14.69 C +ATOM 118 NE2 HIS A 15 -10.704 9.600 1.888 1.00 14.67 N +ATOM 119 N GLY A 16 -16.459 13.099 0.286 1.00 15.10 N +ATOM 120 CA GLY A 16 -17.482 13.714 -0.557 1.00 14.92 C +ATOM 121 C GLY A 16 -18.678 12.857 -0.927 1.00 14.78 C +ATOM 122 O GLY A 16 -19.323 13.099 -1.957 1.00 14.48 O +ATOM 123 N LEU A 17 -18.990 11.869 -0.090 1.00 14.76 N +ATOM 124 CA LEU A 17 -20.145 10.999 -0.323 1.00 14.82 C +ATOM 125 C LEU A 17 -21.458 11.591 0.162 1.00 15.04 C +ATOM 126 O LEU A 17 -22.527 11.243 -0.345 1.00 14.85 O +ATOM 127 CB LEU A 17 -19.954 9.634 0.335 1.00 14.90 C +ATOM 128 CG LEU A 17 -19.520 8.450 -0.524 1.00 15.62 C +ATOM 129 CD1 LEU A 17 -19.670 7.178 0.296 1.00 14.35 C +ATOM 130 CD2 LEU A 17 -20.299 8.340 -1.846 1.00 14.15 C +ATOM 131 N ASP A 18 -21.375 12.466 1.161 1.00 14.90 N +ATOM 132 CA ASP A 18 -22.562 13.063 1.747 1.00 15.07 C +ATOM 133 C ASP A 18 -23.333 13.875 0.708 1.00 14.80 C +ATOM 134 O ASP A 18 -22.816 14.841 0.129 1.00 14.63 O +ATOM 135 CB ASP A 18 -22.209 13.891 2.985 1.00 15.40 C +ATOM 136 CG ASP A 18 -21.269 15.029 2.680 1.00 16.78 C +ATOM 137 OD1 ASP A 18 -20.190 14.784 2.082 1.00 18.30 O +ATOM 138 OD2 ASP A 18 -21.618 16.173 3.047 1.00 19.07 O +ATOM 139 N ASN A 19 -24.568 13.436 0.474 1.00 14.37 N +ATOM 140 CA ASN A 19 -25.455 13.947 -0.577 1.00 14.20 C +ATOM 141 C ASN A 19 -24.985 13.712 -2.020 1.00 13.55 C +ATOM 142 O ASN A 19 -25.499 14.340 -2.953 1.00 13.39 O +ATOM 143 CB ASN A 19 -25.851 15.409 -0.337 1.00 14.99 C +ATOM 144 CG ASN A 19 -27.270 15.706 -0.791 1.00 16.48 C +ATOM 145 OD1 ASN A 19 -28.144 14.829 -0.763 1.00 18.85 O +ATOM 146 ND2 ASN A 19 -27.511 16.946 -1.208 1.00 18.12 N +ATOM 147 N TYR A 20 -24.027 12.805 -2.207 1.00 12.61 N +ATOM 148 CA TYR A 20 -23.586 12.451 -3.552 1.00 12.16 C +ATOM 149 C TYR A 20 -24.730 11.791 -4.321 1.00 11.82 C +ATOM 150 O TYR A 20 -25.373 10.855 -3.823 1.00 11.41 O +ATOM 151 CB TYR A 20 -22.347 11.546 -3.538 1.00 12.29 C +ATOM 152 CG TYR A 20 -21.749 11.380 -4.921 1.00 12.57 C +ATOM 153 CD1 TYR A 20 -20.757 12.249 -5.379 1.00 12.30 C +ATOM 154 CD2 TYR A 20 -22.196 10.377 -5.784 1.00 12.65 C +ATOM 155 CE1 TYR A 20 -20.220 12.117 -6.654 1.00 12.83 C +ATOM 156 CE2 TYR A 20 -21.660 10.238 -7.064 1.00 12.56 C +ATOM 157 CZ TYR A 20 -20.674 11.112 -7.489 1.00 13.49 C +ATOM 158 OH TYR A 20 -20.133 10.983 -8.752 1.00 13.98 O +ATOM 159 N ARG A 21 -24.987 12.303 -5.525 1.00 11.49 N +ATOM 160 CA ARG A 21 -26.082 11.823 -6.371 1.00 11.51 C +ATOM 161 C ARG A 21 -27.424 11.928 -5.628 1.00 10.87 C +ATOM 162 O ARG A 21 -28.356 11.165 -5.885 1.00 10.81 O +ATOM 163 CB ARG A 21 -25.805 10.387 -6.845 1.00 11.80 C +ATOM 164 CG ARG A 21 -26.453 10.005 -8.168 1.00 13.74 C +ATOM 165 CD ARG A 21 -25.663 10.535 -9.343 1.00 15.56 C +ATOM 166 NE ARG A 21 -26.338 10.273 -10.611 1.00 18.13 N +ATOM 167 CZ ARG A 21 -25.849 10.600 -11.804 1.00 19.13 C +ATOM 168 NH1 ARG A 21 -24.670 11.205 -11.908 1.00 19.95 N +ATOM 169 NH2 ARG A 21 -26.539 10.319 -12.899 1.00 19.67 N +ATOM 170 N GLY A 22 -27.501 12.875 -4.691 1.00 10.58 N +ATOM 171 CA GLY A 22 -28.724 13.141 -3.932 1.00 10.04 C +ATOM 172 C GLY A 22 -28.962 12.251 -2.722 1.00 10.09 C +ATOM 173 O GLY A 22 -30.011 12.337 -2.079 1.00 10.00 O +ATOM 174 N TYR A 23 -27.992 11.396 -2.407 1.00 9.45 N +ATOM 175 CA TYR A 23 -28.128 10.456 -1.294 1.00 9.04 C +ATOM 176 C TYR A 23 -27.446 10.963 -0.035 1.00 9.08 C +ATOM 177 O TYR A 23 -26.215 11.066 0.025 1.00 9.01 O +ATOM 178 CB TYR A 23 -27.600 9.068 -1.686 1.00 8.91 C +ATOM 179 CG TYR A 23 -28.474 8.381 -2.708 1.00 8.22 C +ATOM 180 CD1 TYR A 23 -29.585 7.631 -2.313 1.00 8.34 C +ATOM 181 CD2 TYR A 23 -28.203 8.493 -4.075 1.00 7.99 C +ATOM 182 CE1 TYR A 23 -30.395 6.994 -3.252 1.00 7.55 C +ATOM 183 CE2 TYR A 23 -29.012 7.870 -5.023 1.00 7.79 C +ATOM 184 CZ TYR A 23 -30.111 7.124 -4.602 1.00 7.62 C +ATOM 185 OH TYR A 23 -30.915 6.501 -5.523 1.00 7.66 O +ATOM 186 N SER A 24 -28.262 11.275 0.971 1.00 9.22 N +ATOM 187 CA SER A 24 -27.765 11.778 2.251 1.00 9.45 C +ATOM 188 C SER A 24 -26.797 10.794 2.901 1.00 9.31 C +ATOM 189 O SER A 24 -26.878 9.579 2.678 1.00 9.21 O +ATOM 190 CB SER A 24 -28.928 12.070 3.202 1.00 9.82 C +ATOM 191 OG SER A 24 -29.641 10.889 3.517 1.00 10.54 O +ATOM 192 N LEU A 25 -25.890 11.332 3.710 1.00 9.22 N +ATOM 193 CA LEU A 25 -24.907 10.533 4.446 1.00 8.77 C +ATOM 194 C LEU A 25 -25.467 9.288 5.150 1.00 8.75 C +ATOM 195 O LEU A 25 -24.838 8.218 5.120 1.00 8.72 O +ATOM 196 CB LEU A 25 -24.175 11.418 5.451 1.00 9.24 C +ATOM 197 CG LEU A 25 -22.909 10.867 6.094 1.00 8.85 C +ATOM 198 CD1 LEU A 25 -21.903 10.379 5.037 1.00 9.79 C +ATOM 199 CD2 LEU A 25 -22.310 11.951 6.973 1.00 9.24 C +ATOM 200 N GLY A 26 -26.642 9.417 5.761 1.00 8.42 N +ATOM 201 CA GLY A 26 -27.284 8.295 6.459 1.00 8.22 C +ATOM 202 C GLY A 26 -27.550 7.099 5.557 1.00 7.89 C +ATOM 203 O GLY A 26 -27.496 5.953 6.005 1.00 8.39 O +ATOM 204 N ASN A 27 -27.852 7.364 4.287 1.00 7.75 N +ATOM 205 CA ASN A 27 -28.029 6.289 3.307 1.00 7.53 C +ATOM 206 C ASN A 27 -26.756 5.472 3.101 1.00 7.32 C +ATOM 207 O ASN A 27 -26.794 4.239 3.075 1.00 6.86 O +ATOM 208 CB ASN A 27 -28.520 6.848 1.972 1.00 7.71 C +ATOM 209 CG ASN A 27 -30.005 7.131 1.978 1.00 8.26 C +ATOM 210 OD1 ASN A 27 -30.827 6.213 1.894 1.00 9.23 O +ATOM 211 ND2 ASN A 27 -30.361 8.406 2.078 1.00 9.10 N +ATOM 212 N TRP A 28 -25.636 6.174 2.979 1.00 7.22 N +ATOM 213 CA TRP A 28 -24.339 5.543 2.756 1.00 7.28 C +ATOM 214 C TRP A 28 -23.881 4.744 3.973 1.00 7.17 C +ATOM 215 O TRP A 28 -23.349 3.640 3.839 1.00 6.91 O +ATOM 216 CB TRP A 28 -23.305 6.602 2.362 1.00 7.64 C +ATOM 217 CG TRP A 28 -23.623 7.236 1.044 1.00 7.31 C +ATOM 218 CD1 TRP A 28 -24.178 8.470 0.832 1.00 8.10 C +ATOM 219 CD2 TRP A 28 -23.438 6.650 -0.249 1.00 8.85 C +ATOM 220 NE1 TRP A 28 -24.332 8.694 -0.519 1.00 8.17 N +ATOM 221 CE2 TRP A 28 -23.889 7.591 -1.206 1.00 8.34 C +ATOM 222 CE3 TRP A 28 -22.927 5.420 -0.694 1.00 8.23 C +ATOM 223 CZ2 TRP A 28 -23.834 7.342 -2.589 1.00 8.20 C +ATOM 224 CZ3 TRP A 28 -22.879 5.171 -2.064 1.00 8.84 C +ATOM 225 CH2 TRP A 28 -23.337 6.127 -2.994 1.00 8.19 C +ATOM 226 N VAL A 29 -24.101 5.309 5.160 1.00 7.28 N +ATOM 227 CA VAL A 29 -23.752 4.635 6.409 1.00 7.24 C +ATOM 228 C VAL A 29 -24.632 3.400 6.623 1.00 7.14 C +ATOM 229 O VAL A 29 -24.138 2.342 7.010 1.00 7.39 O +ATOM 230 CB VAL A 29 -23.814 5.608 7.619 1.00 7.33 C +ATOM 231 CG1 VAL A 29 -23.563 4.880 8.930 1.00 7.06 C +ATOM 232 CG2 VAL A 29 -22.802 6.742 7.433 1.00 6.56 C +ATOM 233 N CYS A 30 -25.925 3.537 6.341 1.00 7.23 N +ATOM 234 CA CYS A 30 -26.858 2.411 6.415 1.00 7.31 C +ATOM 235 C CYS A 30 -26.440 1.279 5.465 1.00 7.40 C +ATOM 236 O CYS A 30 -26.399 0.106 5.866 1.00 7.75 O +ATOM 237 CB CYS A 30 -28.281 2.872 6.094 1.00 7.47 C +ATOM 238 SG CYS A 30 -29.516 1.597 6.331 1.00 8.40 S +ATOM 239 N ALA A 31 -26.123 1.635 4.218 1.00 7.33 N +ATOM 240 CA ALA A 31 -25.645 0.667 3.221 1.00 7.12 C +ATOM 241 C ALA A 31 -24.402 -0.065 3.727 1.00 6.88 C +ATOM 242 O ALA A 31 -24.356 -1.290 3.711 1.00 6.71 O +ATOM 243 CB ALA A 31 -25.362 1.352 1.886 1.00 7.30 C +ATOM 244 N ALA A 32 -23.413 0.684 4.212 1.00 6.62 N +ATOM 245 CA ALA A 32 -22.191 0.077 4.747 1.00 6.70 C +ATOM 246 C ALA A 32 -22.467 -0.858 5.932 1.00 6.94 C +ATOM 247 O ALA A 32 -21.878 -1.940 6.028 1.00 6.39 O +ATOM 248 CB ALA A 32 -21.187 1.150 5.133 1.00 6.61 C +ATOM 249 N LYS A 33 -23.356 -0.443 6.834 1.00 7.11 N +ATOM 250 CA LYS A 33 -23.717 -1.289 7.968 1.00 7.97 C +ATOM 251 C LYS A 33 -24.176 -2.668 7.514 1.00 7.53 C +ATOM 252 O LYS A 33 -23.662 -3.686 7.988 1.00 8.16 O +ATOM 253 CB LYS A 33 -24.796 -0.630 8.837 1.00 7.98 C +ATOM 254 CG LYS A 33 -25.375 -1.529 9.933 1.00 9.37 C +ATOM 255 CD LYS A 33 -24.374 -1.803 11.049 1.00 11.23 C +ATOM 256 CE LYS A 33 -25.004 -2.670 12.128 1.00 12.49 C +ATOM 257 NZ LYS A 33 -24.041 -2.984 13.213 1.00 14.06 N +ATOM 258 N PHE A 34 -25.130 -2.704 6.588 1.00 7.53 N +ATOM 259 CA PHE A 34 -25.720 -3.981 6.190 1.00 7.54 C +ATOM 260 C PHE A 34 -24.924 -4.737 5.129 1.00 7.44 C +ATOM 261 O PHE A 34 -25.048 -5.961 5.008 1.00 7.91 O +ATOM 262 CB PHE A 34 -27.192 -3.803 5.820 1.00 7.35 C +ATOM 263 CG PHE A 34 -28.026 -3.323 6.971 1.00 8.11 C +ATOM 264 CD1 PHE A 34 -28.003 -4.011 8.186 1.00 7.62 C +ATOM 265 CD2 PHE A 34 -28.799 -2.169 6.864 1.00 9.35 C +ATOM 266 CE1 PHE A 34 -28.760 -3.571 9.273 1.00 9.03 C +ATOM 267 CE2 PHE A 34 -29.556 -1.720 7.945 1.00 9.76 C +ATOM 268 CZ PHE A 34 -29.538 -2.419 9.148 1.00 9.71 C +ATOM 269 N GLU A 35 -24.082 -4.019 4.389 1.00 7.33 N +ATOM 270 CA GLU A 35 -23.194 -4.671 3.433 1.00 7.22 C +ATOM 271 C GLU A 35 -22.024 -5.375 4.124 1.00 7.40 C +ATOM 272 O GLU A 35 -21.724 -6.533 3.824 1.00 6.88 O +ATOM 273 CB GLU A 35 -22.662 -3.672 2.391 1.00 7.37 C +ATOM 274 CG GLU A 35 -23.691 -3.154 1.378 1.00 7.05 C +ATOM 275 CD GLU A 35 -24.261 -4.231 0.447 1.00 7.71 C +ATOM 276 OE1 GLU A 35 -23.756 -5.377 0.439 1.00 8.07 O +ATOM 277 OE2 GLU A 35 -25.227 -3.915 -0.280 1.00 8.53 O +ATOM 278 N SER A 36 -21.376 -4.680 5.059 1.00 7.36 N +ATOM 279 CA SER A 36 -20.095 -5.138 5.606 1.00 7.47 C +ATOM 280 C SER A 36 -19.982 -5.099 7.130 1.00 7.90 C +ATOM 281 O SER A 36 -18.951 -5.499 7.682 1.00 7.93 O +ATOM 282 CB SER A 36 -18.975 -4.277 5.027 1.00 7.58 C +ATOM 283 OG SER A 36 -19.052 -2.965 5.565 1.00 6.56 O +ATOM 284 N ASN A 37 -21.020 -4.607 7.804 1.00 8.28 N +ATOM 285 CA ASN A 37 -20.945 -4.323 9.243 1.00 8.87 C +ATOM 286 C ASN A 37 -19.763 -3.397 9.572 1.00 8.53 C +ATOM 287 O ASN A 37 -19.101 -3.538 10.610 1.00 9.08 O +ATOM 288 CB ASN A 37 -20.890 -5.616 10.070 1.00 9.43 C +ATOM 289 CG ASN A 37 -21.396 -5.425 11.489 1.00 11.04 C +ATOM 290 OD1 ASN A 37 -22.099 -4.454 11.789 1.00 14.36 O +ATOM 291 ND2 ASN A 37 -21.041 -6.353 12.371 1.00 13.90 N +ATOM 292 N PHE A 38 -19.501 -2.470 8.650 1.00 8.09 N +ATOM 293 CA PHE A 38 -18.448 -1.453 8.785 1.00 7.97 C +ATOM 294 C PHE A 38 -17.020 -2.006 8.691 1.00 7.96 C +ATOM 295 O PHE A 38 -16.058 -1.315 9.045 1.00 8.23 O +ATOM 296 CB PHE A 38 -18.597 -0.638 10.081 1.00 8.10 C +ATOM 297 CG PHE A 38 -19.914 0.090 10.228 1.00 7.95 C +ATOM 298 CD1 PHE A 38 -20.543 0.686 9.135 1.00 8.49 C +ATOM 299 CD2 PHE A 38 -20.488 0.226 11.488 1.00 8.39 C +ATOM 300 CE1 PHE A 38 -21.748 1.377 9.294 1.00 8.60 C +ATOM 301 CE2 PHE A 38 -21.692 0.913 11.660 1.00 8.72 C +ATOM 302 CZ PHE A 38 -22.321 1.492 10.559 1.00 8.87 C +ATOM 303 N ASN A 39 -16.888 -3.236 8.200 1.00 7.57 N +ATOM 304 CA ASN A 39 -15.590 -3.905 8.098 1.00 7.67 C +ATOM 305 C ASN A 39 -15.003 -3.748 6.695 1.00 7.28 C +ATOM 306 O ASN A 39 -15.549 -4.277 5.722 1.00 7.19 O +ATOM 307 CB ASN A 39 -15.765 -5.392 8.463 1.00 7.60 C +ATOM 308 CG ASN A 39 -14.445 -6.138 8.606 1.00 8.82 C +ATOM 309 OD1 ASN A 39 -13.386 -5.663 8.195 1.00 7.93 O +ATOM 310 ND2 ASN A 39 -14.511 -7.334 9.196 1.00 11.19 N +ATOM 311 N THR A 40 -13.887 -3.026 6.582 1.00 7.43 N +ATOM 312 CA THR A 40 -13.268 -2.802 5.270 1.00 7.45 C +ATOM 313 C THR A 40 -12.782 -4.088 4.600 1.00 7.56 C +ATOM 314 O THR A 40 -12.632 -4.125 3.386 1.00 7.93 O +ATOM 315 CB THR A 40 -12.076 -1.804 5.318 1.00 7.72 C +ATOM 316 OG1 THR A 40 -11.008 -2.358 6.098 1.00 7.69 O +ATOM 317 CG2 THR A 40 -12.507 -0.472 5.891 1.00 7.62 C +ATOM 318 N GLN A 41 -12.538 -5.131 5.392 1.00 7.65 N +ATOM 319 CA GLN A 41 -11.954 -6.368 4.857 1.00 7.75 C +ATOM 320 C GLN A 41 -12.992 -7.394 4.408 1.00 7.79 C +ATOM 321 O GLN A 41 -12.629 -8.475 3.927 1.00 8.05 O +ATOM 322 CB GLN A 41 -10.983 -6.990 5.868 1.00 8.08 C +ATOM 323 CG GLN A 41 -9.815 -6.089 6.224 1.00 8.16 C +ATOM 324 CD GLN A 41 -8.702 -6.837 6.916 1.00 9.35 C +ATOM 325 OE1 GLN A 41 -8.516 -6.722 8.125 1.00 11.51 O +ATOM 326 NE2 GLN A 41 -7.966 -7.626 6.155 1.00 8.29 N +ATOM 327 N ALA A 42 -14.273 -7.054 4.552 1.00 7.51 N +ATOM 328 CA ALA A 42 -15.368 -7.961 4.198 1.00 7.72 C +ATOM 329 C ALA A 42 -15.309 -8.427 2.734 1.00 7.83 C +ATOM 330 O ALA A 42 -15.160 -7.620 1.822 1.00 7.07 O +ATOM 331 CB ALA A 42 -16.722 -7.303 4.494 1.00 7.76 C +ATOM 332 N THR A 43 -15.404 -9.740 2.532 1.00 8.31 N +ATOM 333 CA THR A 43 -15.511 -10.321 1.193 1.00 9.19 C +ATOM 334 C THR A 43 -16.614 -11.371 1.209 1.00 9.54 C +ATOM 335 O THR A 43 -16.791 -12.079 2.200 1.00 10.09 O +ATOM 336 CB THR A 43 -14.206 -11.021 0.713 1.00 9.06 C +ATOM 337 OG1 THR A 43 -13.879 -12.098 1.603 1.00 9.84 O +ATOM 338 CG2 THR A 43 -13.027 -10.042 0.604 1.00 9.93 C +ATOM 339 N ASN A 44 -17.358 -11.465 0.113 1.00 9.73 N +ATOM 340 CA ASN A 44 -18.428 -12.457 0.001 1.00 10.28 C +ATOM 341 C ASN A 44 -18.579 -12.940 -1.424 1.00 10.13 C +ATOM 342 O ASN A 44 -18.770 -12.136 -2.335 1.00 9.46 O +ATOM 343 CB ASN A 44 -19.754 -11.888 0.512 1.00 10.73 C +ATOM 344 CG ASN A 44 -19.770 -11.732 2.021 1.00 11.78 C +ATOM 345 OD1 ASN A 44 -19.831 -12.719 2.762 1.00 14.02 O +ATOM 346 ND2 ASN A 44 -19.682 -10.490 2.485 1.00 13.68 N +ATOM 347 N ARG A 45 -18.480 -14.257 -1.602 1.00 10.62 N +ATOM 348 CA ARG A 45 -18.612 -14.881 -2.912 1.00 11.48 C +ATOM 349 C ARG A 45 -20.074 -14.970 -3.322 1.00 11.65 C +ATOM 350 O ARG A 45 -20.929 -15.350 -2.520 1.00 11.92 O +ATOM 351 CB ARG A 45 -18.006 -16.288 -2.902 1.00 11.77 C +ATOM 352 CG ARG A 45 -17.884 -16.916 -4.291 1.00 13.66 C +ATOM 353 CD ARG A 45 -16.608 -16.484 -4.983 1.00 16.21 C +ATOM 354 NE ARG A 45 -15.541 -17.475 -4.842 1.00 20.07 N +ATOM 355 CZ ARG A 45 -14.866 -18.010 -5.858 1.00 19.47 C +ATOM 356 NH1 ARG A 45 -15.118 -17.646 -7.112 1.00 19.74 N +ATOM 357 NH2 ARG A 45 -13.914 -18.899 -5.615 1.00 21.49 N +ATOM 358 N ASN A 46 -20.343 -14.618 -4.575 1.00 11.90 N +ATOM 359 CA ASN A 46 -21.667 -14.757 -5.169 1.00 12.51 C +ATOM 360 C ASN A 46 -21.796 -16.093 -5.896 1.00 12.95 C +ATOM 361 O ASN A 46 -20.789 -16.684 -6.289 1.00 13.22 O +ATOM 362 CB ASN A 46 -21.933 -13.588 -6.118 1.00 12.25 C +ATOM 363 CG ASN A 46 -21.821 -12.242 -5.420 1.00 12.50 C +ATOM 364 OD1 ASN A 46 -22.335 -12.064 -4.315 1.00 13.29 O +ATOM 365 ND2 ASN A 46 -21.142 -11.294 -6.055 1.00 11.94 N +ATOM 366 N THR A 47 -23.030 -16.570 -6.066 1.00 13.96 N +ATOM 367 CA THR A 47 -23.262 -17.878 -6.689 1.00 14.76 C +ATOM 368 C THR A 47 -22.760 -17.959 -8.136 1.00 14.48 C +ATOM 369 O THR A 47 -22.403 -19.042 -8.608 1.00 14.79 O +ATOM 370 CB THR A 47 -24.748 -18.336 -6.599 1.00 14.93 C +ATOM 371 OG1 THR A 47 -25.612 -17.310 -7.100 1.00 16.94 O +ATOM 372 CG2 THR A 47 -25.120 -18.641 -5.163 1.00 15.77 C +ATOM 373 N ASP A 48 -22.711 -16.815 -8.819 1.00 14.19 N +ATOM 374 CA ASP A 48 -22.247 -16.753 -10.207 1.00 13.87 C +ATOM 375 C ASP A 48 -20.718 -16.768 -10.351 1.00 13.35 C +ATOM 376 O ASP A 48 -20.200 -16.749 -11.467 1.00 13.57 O +ATOM 377 CB ASP A 48 -22.876 -15.560 -10.957 1.00 14.14 C +ATOM 378 CG ASP A 48 -22.293 -14.208 -10.543 1.00 14.97 C +ATOM 379 OD1 ASP A 48 -21.554 -14.131 -9.542 1.00 15.15 O +ATOM 380 OD2 ASP A 48 -22.577 -13.211 -11.236 1.00 17.32 O +ATOM 381 N GLY A 49 -20.011 -16.790 -9.221 1.00 12.43 N +ATOM 382 CA GLY A 49 -18.551 -16.856 -9.215 1.00 11.52 C +ATOM 383 C GLY A 49 -17.863 -15.518 -9.001 1.00 10.59 C +ATOM 384 O GLY A 49 -16.649 -15.464 -8.807 1.00 10.69 O +ATOM 385 N SER A 50 -18.633 -14.435 -9.049 1.00 9.71 N +ATOM 386 CA SER A 50 -18.100 -13.117 -8.716 1.00 9.02 C +ATOM 387 C SER A 50 -17.929 -13.000 -7.197 1.00 8.33 C +ATOM 388 O SER A 50 -18.378 -13.867 -6.447 1.00 8.62 O +ATOM 389 CB SER A 50 -19.011 -12.008 -9.254 1.00 9.03 C +ATOM 390 OG SER A 50 -20.271 -12.023 -8.606 1.00 8.75 O +ATOM 391 N THR A 51 -17.276 -11.929 -6.753 1.00 7.79 N +ATOM 392 CA THR A 51 -17.074 -11.669 -5.329 1.00 7.55 C +ATOM 393 C THR A 51 -17.318 -10.186 -5.041 1.00 7.44 C +ATOM 394 O THR A 51 -17.003 -9.326 -5.871 1.00 7.34 O +ATOM 395 CB THR A 51 -15.640 -12.075 -4.891 1.00 7.40 C +ATOM 396 OG1 THR A 51 -15.423 -13.460 -5.181 1.00 7.62 O +ATOM 397 CG2 THR A 51 -15.411 -11.837 -3.403 1.00 7.64 C +ATOM 398 N ASP A 52 -17.900 -9.904 -3.874 1.00 7.38 N +ATOM 399 CA ASP A 52 -18.139 -8.536 -3.416 1.00 7.33 C +ATOM 400 C ASP A 52 -17.069 -8.150 -2.403 1.00 7.11 C +ATOM 401 O ASP A 52 -16.756 -8.932 -1.506 1.00 6.90 O +ATOM 402 CB ASP A 52 -19.528 -8.426 -2.773 1.00 7.53 C +ATOM 403 CG ASP A 52 -20.659 -8.533 -3.781 1.00 8.89 C +ATOM 404 OD1 ASP A 52 -20.398 -8.638 -4.999 1.00 8.41 O +ATOM 405 OD2 ASP A 52 -21.829 -8.494 -3.348 1.00 10.73 O +ATOM 406 N TYR A 53 -16.538 -6.936 -2.535 1.00 6.98 N +ATOM 407 CA TYR A 53 -15.367 -6.507 -1.768 1.00 7.23 C +ATOM 408 C TYR A 53 -15.572 -5.228 -0.974 1.00 7.56 C +ATOM 409 O TYR A 53 -15.989 -4.202 -1.520 1.00 7.50 O +ATOM 410 CB TYR A 53 -14.180 -6.286 -2.706 1.00 7.12 C +ATOM 411 CG TYR A 53 -13.696 -7.541 -3.379 1.00 6.74 C +ATOM 412 CD1 TYR A 53 -14.273 -7.974 -4.577 1.00 7.66 C +ATOM 413 CD2 TYR A 53 -12.651 -8.294 -2.832 1.00 6.68 C +ATOM 414 CE1 TYR A 53 -13.836 -9.131 -5.205 1.00 6.25 C +ATOM 415 CE2 TYR A 53 -12.205 -9.459 -3.459 1.00 5.75 C +ATOM 416 CZ TYR A 53 -12.806 -9.865 -4.647 1.00 6.99 C +ATOM 417 OH TYR A 53 -12.386 -11.005 -5.277 1.00 7.45 O +ATOM 418 N GLY A 54 -15.256 -5.299 0.314 1.00 7.77 N +ATOM 419 CA GLY A 54 -15.061 -4.100 1.113 1.00 8.17 C +ATOM 420 C GLY A 54 -16.278 -3.555 1.818 1.00 8.42 C +ATOM 421 O GLY A 54 -17.327 -4.199 1.886 1.00 8.75 O +ATOM 422 N ILE A 55 -16.109 -2.349 2.351 1.00 8.82 N +ATOM 423 CA ILE A 55 -17.115 -1.671 3.169 1.00 9.59 C +ATOM 424 C ILE A 55 -18.473 -1.537 2.462 1.00 9.14 C +ATOM 425 O ILE A 55 -19.525 -1.613 3.103 1.00 9.19 O +ATOM 426 CB ILE A 55 -16.576 -0.282 3.647 1.00 10.02 C +ATOM 427 CG1 ILE A 55 -17.388 0.269 4.819 1.00 11.72 C +ATOM 428 CG2 ILE A 55 -16.459 0.716 2.495 1.00 10.82 C +ATOM 429 CD1 ILE A 55 -16.638 0.229 6.124 1.00 13.83 C +ATOM 430 N LEU A 56 -18.439 -1.364 1.140 1.00 8.84 N +ATOM 431 CA LEU A 56 -19.662 -1.272 0.348 1.00 8.35 C +ATOM 432 C LEU A 56 -19.884 -2.460 -0.601 1.00 8.35 C +ATOM 433 O LEU A 56 -20.735 -2.400 -1.494 1.00 7.86 O +ATOM 434 CB LEU A 56 -19.724 0.065 -0.406 1.00 8.49 C +ATOM 435 CG LEU A 56 -20.039 1.289 0.465 1.00 8.47 C +ATOM 436 CD1 LEU A 56 -19.782 2.574 -0.309 1.00 9.48 C +ATOM 437 CD2 LEU A 56 -21.472 1.243 0.989 1.00 9.05 C +ATOM 438 N GLN A 57 -19.127 -3.542 -0.393 1.00 7.70 N +ATOM 439 CA GLN A 57 -19.369 -4.813 -1.100 1.00 7.45 C +ATOM 440 C GLN A 57 -19.515 -4.641 -2.616 1.00 7.47 C +ATOM 441 O GLN A 57 -20.517 -5.044 -3.229 1.00 7.64 O +ATOM 442 CB GLN A 57 -20.578 -5.537 -0.496 1.00 7.10 C +ATOM 443 CG GLN A 57 -20.288 -6.086 0.885 1.00 7.18 C +ATOM 444 CD GLN A 57 -19.266 -7.210 0.846 1.00 7.34 C +ATOM 445 OE1 GLN A 57 -18.066 -7.000 1.077 1.00 9.70 O +ATOM 446 NE2 GLN A 57 -19.734 -8.410 0.540 1.00 6.51 N +ATOM 447 N ILE A 58 -18.497 -4.028 -3.200 1.00 7.31 N +ATOM 448 CA ILE A 58 -18.460 -3.759 -4.631 1.00 7.81 C +ATOM 449 C ILE A 58 -18.152 -5.051 -5.399 1.00 7.78 C +ATOM 450 O ILE A 58 -17.233 -5.792 -5.045 1.00 8.02 O +ATOM 451 CB ILE A 58 -17.459 -2.623 -4.930 1.00 7.63 C +ATOM 452 CG1 ILE A 58 -17.963 -1.314 -4.289 1.00 8.55 C +ATOM 453 CG2 ILE A 58 -17.241 -2.460 -6.422 1.00 8.24 C +ATOM 454 CD1 ILE A 58 -16.962 -0.183 -4.281 1.00 10.14 C +ATOM 455 N ASN A 59 -18.940 -5.301 -6.444 1.00 8.55 N +ATOM 456 CA ASN A 59 -18.964 -6.579 -7.156 1.00 8.82 C +ATOM 457 C ASN A 59 -17.927 -6.659 -8.273 1.00 8.88 C +ATOM 458 O ASN A 59 -17.856 -5.773 -9.129 1.00 9.11 O +ATOM 459 CB ASN A 59 -20.374 -6.817 -7.719 1.00 9.30 C +ATOM 460 CG ASN A 59 -20.614 -8.260 -8.145 1.00 10.05 C +ATOM 461 OD1 ASN A 59 -19.677 -9.023 -8.369 1.00 12.04 O +ATOM 462 ND2 ASN A 59 -21.886 -8.638 -8.255 1.00 11.18 N +ATOM 463 N SER A 60 -17.138 -7.733 -8.264 1.00 8.96 N +ATOM 464 CA SER A 60 -16.118 -7.971 -9.283 1.00 9.40 C +ATOM 465 C SER A 60 -16.713 -8.213 -10.674 1.00 10.00 C +ATOM 466 O SER A 60 -16.002 -8.130 -11.678 1.00 9.78 O +ATOM 467 CB SER A 60 -15.225 -9.148 -8.880 1.00 9.55 C +ATOM 468 OG SER A 60 -15.948 -10.365 -8.894 1.00 8.67 O +ATOM 469 N ARG A 61 -18.011 -8.512 -10.720 1.00 10.39 N +ATOM 470 CA AARG A 61 -18.716 -8.751 -11.979 0.70 11.06 C +ATOM 471 CA BARG A 61 -18.706 -8.755 -11.982 0.30 10.80 C +ATOM 472 C ARG A 61 -18.604 -7.546 -12.913 1.00 11.09 C +ATOM 473 O ARG A 61 -18.516 -7.702 -14.131 1.00 11.28 O +ATOM 474 CB AARG A 61 -20.186 -9.110 -11.703 0.70 11.23 C +ATOM 475 CB BARG A 61 -20.172 -9.139 -11.727 0.30 10.80 C +ATOM 476 CG AARG A 61 -21.107 -9.187 -12.927 0.70 12.69 C +ATOM 477 CG BARG A 61 -21.003 -9.482 -12.975 0.30 11.02 C +ATOM 478 CD AARG A 61 -20.778 -10.366 -13.831 0.70 15.31 C +ATOM 479 CD BARG A 61 -20.402 -10.624 -13.795 0.30 11.45 C +ATOM 480 NE AARG A 61 -21.642 -10.409 -15.011 0.70 16.75 N +ATOM 481 NE BARG A 61 -20.436 -11.908 -13.095 0.30 11.47 N +ATOM 482 CZ AARG A 61 -21.446 -9.709 -16.127 0.70 17.68 C +ATOM 483 CZ BARG A 61 -19.777 -12.995 -13.488 0.30 11.01 C +ATOM 484 NH1AARG A 61 -20.405 -8.887 -16.243 0.70 18.18 N +ATOM 485 NH1BARG A 61 -19.017 -12.966 -14.577 0.30 11.22 N +ATOM 486 NH2AARG A 61 -22.298 -9.832 -17.135 0.70 17.73 N +ATOM 487 NH2BARG A 61 -19.868 -14.112 -12.784 0.30 11.34 N +ATOM 488 N TRP A 62 -18.593 -6.345 -12.334 1.00 11.19 N +ATOM 489 CA TRP A 62 -18.574 -5.113 -13.125 1.00 11.76 C +ATOM 490 C TRP A 62 -17.458 -4.129 -12.795 1.00 11.11 C +ATOM 491 O TRP A 62 -16.949 -3.453 -13.688 1.00 11.26 O +ATOM 492 CB TRP A 62 -19.916 -4.375 -12.997 1.00 12.84 C +ATOM 493 CG TRP A 62 -21.090 -5.137 -13.524 1.00 14.16 C +ATOM 494 CD1 TRP A 62 -22.087 -5.716 -12.791 1.00 15.46 C +ATOM 495 CD2 TRP A 62 -21.394 -5.408 -14.900 1.00 15.38 C +ATOM 496 NE1 TRP A 62 -22.996 -6.326 -13.624 1.00 16.22 N +ATOM 497 CE2 TRP A 62 -22.593 -6.155 -14.923 1.00 15.99 C +ATOM 498 CE3 TRP A 62 -20.769 -5.089 -16.116 1.00 16.23 C +ATOM 499 CZ2 TRP A 62 -23.183 -6.594 -16.117 1.00 16.17 C +ATOM 500 CZ3 TRP A 62 -21.357 -5.528 -17.306 1.00 16.07 C +ATOM 501 CH2 TRP A 62 -22.550 -6.267 -17.293 1.00 16.04 C +ATOM 502 N TRP A 63 -17.080 -4.038 -11.523 1.00 10.38 N +ATOM 503 CA TRP A 63 -16.422 -2.823 -11.044 1.00 9.86 C +ATOM 504 C TRP A 63 -14.933 -2.900 -10.725 1.00 9.42 C +ATOM 505 O TRP A 63 -14.246 -1.882 -10.758 1.00 9.38 O +ATOM 506 CB TRP A 63 -17.198 -2.241 -9.856 1.00 10.08 C +ATOM 507 CG TRP A 63 -18.658 -2.084 -10.166 1.00 9.53 C +ATOM 508 CD1 TRP A 63 -19.676 -2.881 -9.739 1.00 10.59 C +ATOM 509 CD2 TRP A 63 -19.250 -1.088 -11.010 1.00 9.87 C +ATOM 510 NE1 TRP A 63 -20.875 -2.434 -10.250 1.00 9.44 N +ATOM 511 CE2 TRP A 63 -20.640 -1.341 -11.042 1.00 9.95 C +ATOM 512 CE3 TRP A 63 -18.740 -0.007 -11.743 1.00 9.48 C +ATOM 513 CZ2 TRP A 63 -21.531 -0.544 -11.773 1.00 10.61 C +ATOM 514 CZ3 TRP A 63 -19.625 0.784 -12.472 1.00 10.99 C +ATOM 515 CH2 TRP A 63 -21.006 0.509 -12.477 1.00 10.80 C +ATOM 516 N CYS A 64 -14.438 -4.090 -10.409 1.00 9.06 N +ATOM 517 CA CYS A 64 -13.028 -4.244 -10.061 1.00 8.87 C +ATOM 518 C CYS A 64 -12.484 -5.548 -10.614 1.00 8.88 C +ATOM 519 O CYS A 64 -13.258 -6.465 -10.919 1.00 8.87 O +ATOM 520 CB CYS A 64 -12.825 -4.170 -8.544 1.00 8.97 C +ATOM 521 SG CYS A 64 -13.649 -5.464 -7.595 1.00 7.52 S +ATOM 522 N ASN A 65 -11.164 -5.629 -10.750 1.00 9.07 N +ATOM 523 CA ASN A 65 -10.536 -6.866 -11.206 1.00 9.41 C +ATOM 524 C ASN A 65 -10.015 -7.724 -10.059 1.00 9.54 C +ATOM 525 O ASN A 65 -9.221 -7.257 -9.237 1.00 9.25 O +ATOM 526 CB ASN A 65 -9.410 -6.598 -12.205 1.00 9.76 C +ATOM 527 CG ASN A 65 -8.744 -7.883 -12.671 1.00 10.32 C +ATOM 528 OD1 ASN A 65 -9.404 -8.768 -13.210 1.00 11.17 O +ATOM 529 ND2 ASN A 65 -7.441 -8.005 -12.433 1.00 13.00 N +ATOM 530 N ASP A 66 -10.476 -8.973 -10.005 1.00 9.71 N +ATOM 531 CA ASP A 66 -9.903 -9.958 -9.084 1.00 10.05 C +ATOM 532 C ASP A 66 -9.249 -11.149 -9.792 1.00 10.32 C +ATOM 533 O ASP A 66 -8.733 -12.047 -9.135 1.00 10.62 O +ATOM 534 CB ASP A 66 -10.915 -10.411 -8.009 1.00 9.70 C +ATOM 535 CG ASP A 66 -12.097 -11.207 -8.575 1.00 9.45 C +ATOM 536 OD1 ASP A 66 -12.101 -11.573 -9.773 1.00 8.50 O +ATOM 537 OD2 ASP A 66 -13.031 -11.480 -7.789 1.00 8.24 O +ATOM 538 N GLY A 67 -9.265 -11.131 -11.124 1.00 10.92 N +ATOM 539 CA GLY A 67 -8.623 -12.165 -11.935 1.00 11.50 C +ATOM 540 C GLY A 67 -9.321 -13.513 -11.959 1.00 12.03 C +ATOM 541 O GLY A 67 -8.806 -14.464 -12.551 1.00 12.35 O +ATOM 542 N ARG A 68 -10.489 -13.610 -11.325 1.00 11.98 N +ATOM 543 CA ARG A 68 -11.194 -14.886 -11.225 1.00 12.60 C +ATOM 544 C ARG A 68 -12.705 -14.783 -11.477 1.00 12.81 C +ATOM 545 O ARG A 68 -13.477 -15.630 -11.027 1.00 13.40 O +ATOM 546 CB ARG A 68 -10.899 -15.567 -9.880 1.00 12.64 C +ATOM 547 CG ARG A 68 -11.473 -14.864 -8.667 1.00 13.03 C +ATOM 548 CD ARG A 68 -11.464 -15.790 -7.472 1.00 14.20 C +ATOM 549 NE ARG A 68 -12.452 -15.387 -6.477 1.00 14.25 N +ATOM 550 CZ ARG A 68 -12.454 -15.786 -5.207 1.00 14.36 C +ATOM 551 NH1 ARG A 68 -11.514 -16.612 -4.762 1.00 14.75 N +ATOM 552 NH2 ARG A 68 -13.403 -15.356 -4.378 1.00 12.48 N +ATOM 553 N THR A 69 -13.113 -13.755 -12.212 1.00 12.78 N +ATOM 554 CA THR A 69 -14.517 -13.580 -12.576 1.00 12.92 C +ATOM 555 C THR A 69 -14.652 -13.522 -14.105 1.00 13.50 C +ATOM 556 O THR A 69 -14.667 -12.439 -14.685 1.00 12.96 O +ATOM 557 CB THR A 69 -15.116 -12.312 -11.915 1.00 12.87 C +ATOM 558 OG1 THR A 69 -14.725 -12.253 -10.537 1.00 11.72 O +ATOM 559 CG2 THR A 69 -16.640 -12.316 -12.006 1.00 12.58 C +ATOM 560 N PRO A 70 -14.735 -14.698 -14.763 1.00 14.26 N +ATOM 561 CA PRO A 70 -14.759 -14.741 -16.231 1.00 14.75 C +ATOM 562 C PRO A 70 -15.839 -13.865 -16.866 1.00 15.22 C +ATOM 563 O PRO A 70 -17.000 -13.890 -16.438 1.00 15.65 O +ATOM 564 CB PRO A 70 -15.014 -16.225 -16.531 1.00 14.88 C +ATOM 565 CG PRO A 70 -14.436 -16.935 -15.356 1.00 14.75 C +ATOM 566 CD PRO A 70 -14.793 -16.053 -14.186 1.00 14.70 C +ATOM 567 N GLY A 71 -15.432 -13.084 -17.865 1.00 15.12 N +ATOM 568 CA GLY A 71 -16.345 -12.253 -18.651 1.00 15.56 C +ATOM 569 C GLY A 71 -16.718 -10.945 -17.986 1.00 15.40 C +ATOM 570 O GLY A 71 -17.502 -10.162 -18.533 1.00 16.05 O +ATOM 571 N SER A 72 -16.148 -10.702 -16.810 1.00 15.37 N +ATOM 572 CA SER A 72 -16.467 -9.522 -16.025 1.00 15.17 C +ATOM 573 C SER A 72 -15.746 -8.283 -16.538 1.00 15.07 C +ATOM 574 O SER A 72 -14.821 -8.381 -17.351 1.00 15.32 O +ATOM 575 CB SER A 72 -16.108 -9.755 -14.559 1.00 15.24 C +ATOM 576 OG SER A 72 -14.699 -9.724 -14.367 1.00 14.93 O +ATOM 577 N ARG A 73 -16.181 -7.125 -16.046 1.00 14.56 N +ATOM 578 CA ARG A 73 -15.549 -5.847 -16.343 1.00 14.25 C +ATOM 579 C ARG A 73 -14.790 -5.314 -15.123 1.00 13.51 C +ATOM 580 O ARG A 73 -14.893 -5.863 -14.020 1.00 13.12 O +ATOM 581 CB ARG A 73 -16.595 -4.818 -16.798 1.00 14.60 C +ATOM 582 CG ARG A 73 -17.441 -5.228 -18.011 1.00 16.39 C +ATOM 583 CD ARG A 73 -16.614 -5.376 -19.289 1.00 19.96 C +ATOM 584 NE ARG A 73 -15.928 -4.141 -19.680 1.00 23.16 N +ATOM 585 CZ ARG A 73 -16.460 -3.174 -20.426 1.00 24.32 C +ATOM 586 NH1 ARG A 73 -17.704 -3.268 -20.877 1.00 24.67 N +ATOM 587 NH2 ARG A 73 -15.743 -2.097 -20.720 1.00 25.88 N +ATOM 588 N ASN A 74 -14.018 -4.255 -15.342 1.00 12.92 N +ATOM 589 CA ASN A 74 -13.279 -3.569 -14.287 1.00 12.42 C +ATOM 590 C ASN A 74 -13.503 -2.065 -14.468 1.00 12.42 C +ATOM 591 O ASN A 74 -12.578 -1.318 -14.792 1.00 12.60 O +ATOM 592 CB ASN A 74 -11.786 -3.936 -14.350 1.00 12.33 C +ATOM 593 CG ASN A 74 -10.943 -3.230 -13.276 1.00 11.68 C +ATOM 594 OD1 ASN A 74 -11.470 -2.594 -12.364 1.00 10.22 O +ATOM 595 ND2 ASN A 74 -9.623 -3.341 -13.396 1.00 11.24 N +ATOM 596 N LEU A 75 -14.746 -1.635 -14.265 1.00 12.29 N +ATOM 597 CA LEU A 75 -15.150 -0.270 -14.622 1.00 12.41 C +ATOM 598 C LEU A 75 -14.593 0.821 -13.707 1.00 12.27 C +ATOM 599 O LEU A 75 -14.535 1.992 -14.101 1.00 12.67 O +ATOM 600 CB LEU A 75 -16.674 -0.166 -14.757 1.00 12.58 C +ATOM 601 CG LEU A 75 -17.298 -0.988 -15.892 1.00 12.96 C +ATOM 602 CD1 LEU A 75 -18.808 -0.954 -15.782 1.00 13.00 C +ATOM 603 CD2 LEU A 75 -16.831 -0.489 -17.265 1.00 13.22 C +ATOM 604 N CYS A 76 -14.176 0.442 -12.499 1.00 12.02 N +ATOM 605 CA CYS A 76 -13.502 1.382 -11.596 1.00 11.71 C +ATOM 606 C CYS A 76 -11.986 1.396 -11.786 1.00 11.80 C +ATOM 607 O CYS A 76 -11.274 2.175 -11.133 1.00 11.90 O +ATOM 608 CB CYS A 76 -13.870 1.096 -10.137 1.00 11.36 C +ATOM 609 SG CYS A 76 -15.593 1.485 -9.770 1.00 10.86 S +ATOM 610 N ASN A 77 -11.506 0.529 -12.681 1.00 11.63 N +ATOM 611 CA ASN A 77 -10.088 0.442 -13.041 1.00 11.96 C +ATOM 612 C ASN A 77 -9.189 0.244 -11.825 1.00 11.41 C +ATOM 613 O ASN A 77 -8.212 0.969 -11.619 1.00 11.51 O +ATOM 614 CB ASN A 77 -9.669 1.671 -13.858 1.00 12.29 C +ATOM 615 CG ASN A 77 -10.630 1.959 -14.998 1.00 13.86 C +ATOM 616 OD1 ASN A 77 -11.281 3.006 -15.029 1.00 17.31 O +ATOM 617 ND2 ASN A 77 -10.749 1.016 -15.924 1.00 15.56 N +ATOM 618 N ILE A 78 -9.539 -0.751 -11.018 1.00 11.12 N +ATOM 619 CA ILE A 78 -8.834 -1.033 -9.774 1.00 11.09 C +ATOM 620 C ILE A 78 -8.816 -2.531 -9.484 1.00 10.56 C +ATOM 621 O ILE A 78 -9.768 -3.245 -9.830 1.00 10.31 O +ATOM 622 CB ILE A 78 -9.489 -0.324 -8.551 1.00 11.41 C +ATOM 623 CG1 ILE A 78 -11.010 -0.543 -8.551 1.00 11.43 C +ATOM 624 CG2 ILE A 78 -9.097 1.150 -8.501 1.00 12.35 C +ATOM 625 CD1 ILE A 78 -11.687 -0.219 -7.246 1.00 14.02 C +ATOM 626 N PRO A 79 -7.740 -3.007 -8.834 1.00 10.25 N +ATOM 627 CA PRO A 79 -7.775 -4.352 -8.261 1.00 9.85 C +ATOM 628 C PRO A 79 -8.827 -4.384 -7.159 1.00 9.03 C +ATOM 629 O PRO A 79 -8.959 -3.418 -6.402 1.00 8.69 O +ATOM 630 CB PRO A 79 -6.370 -4.529 -7.667 1.00 9.88 C +ATOM 631 CG PRO A 79 -5.834 -3.146 -7.500 1.00 10.95 C +ATOM 632 CD PRO A 79 -6.453 -2.326 -8.590 1.00 10.46 C +ATOM 633 N CYS A 80 -9.603 -5.462 -7.089 1.00 8.53 N +ATOM 634 CA CYS A 80 -10.595 -5.594 -6.020 1.00 8.07 C +ATOM 635 C CYS A 80 -9.964 -5.499 -4.625 1.00 8.28 C +ATOM 636 O CYS A 80 -10.603 -5.022 -3.688 1.00 8.01 O +ATOM 637 CB CYS A 80 -11.377 -6.897 -6.163 1.00 8.22 C +ATOM 638 SG CYS A 80 -12.340 -7.030 -7.690 1.00 7.43 S +ATOM 639 N SER A 81 -8.715 -5.946 -4.498 1.00 8.87 N +ATOM 640 CA SER A 81 -7.978 -5.850 -3.231 1.00 9.36 C +ATOM 641 C SER A 81 -7.874 -4.420 -2.698 1.00 9.77 C +ATOM 642 O SER A 81 -7.887 -4.210 -1.486 1.00 9.71 O +ATOM 643 CB SER A 81 -6.584 -6.481 -3.348 1.00 9.70 C +ATOM 644 OG SER A 81 -5.776 -5.789 -4.280 1.00 9.66 O +ATOM 645 N ALA A 82 -7.792 -3.445 -3.603 1.00 10.21 N +ATOM 646 CA ALA A 82 -7.738 -2.025 -3.231 1.00 10.90 C +ATOM 647 C ALA A 82 -8.999 -1.584 -2.482 1.00 11.34 C +ATOM 648 O ALA A 82 -8.995 -0.579 -1.761 1.00 11.42 O +ATOM 649 CB ALA A 82 -7.520 -1.160 -4.468 1.00 11.26 C +ATOM 650 N LEU A 83 -10.075 -2.346 -2.662 1.00 11.37 N +ATOM 651 CA LEU A 83 -11.347 -2.062 -1.998 1.00 11.71 C +ATOM 652 C LEU A 83 -11.402 -2.594 -0.564 1.00 11.45 C +ATOM 653 O LEU A 83 -12.421 -2.453 0.115 1.00 11.65 O +ATOM 654 CB LEU A 83 -12.507 -2.630 -2.819 1.00 11.47 C +ATOM 655 CG LEU A 83 -12.722 -1.993 -4.193 1.00 12.22 C +ATOM 656 CD1 LEU A 83 -13.709 -2.814 -5.006 1.00 12.13 C +ATOM 657 CD2 LEU A 83 -13.192 -0.548 -4.053 1.00 13.01 C +ATOM 658 N LEU A 84 -10.302 -3.196 -0.112 1.00 11.13 N +ATOM 659 CA LEU A 84 -10.233 -3.799 1.215 1.00 10.96 C +ATOM 660 C LEU A 84 -9.343 -3.005 2.174 1.00 11.31 C +ATOM 661 O LEU A 84 -9.169 -3.387 3.336 1.00 11.38 O +ATOM 662 CB LEU A 84 -9.736 -5.247 1.113 1.00 10.93 C +ATOM 663 CG LEU A 84 -10.586 -6.227 0.301 1.00 11.12 C +ATOM 664 CD1 LEU A 84 -9.945 -7.593 0.362 1.00 12.47 C +ATOM 665 CD2 LEU A 84 -12.005 -6.311 0.824 1.00 10.72 C +ATOM 666 N SER A 85 -8.808 -1.891 1.674 1.00 11.50 N +ATOM 667 CA ASER A 85 -7.894 -1.041 2.429 0.50 11.69 C +ATOM 668 CA BSER A 85 -7.890 -1.046 2.435 0.50 11.63 C +ATOM 669 C SER A 85 -8.560 -0.366 3.630 1.00 11.90 C +ATOM 670 O SER A 85 -9.777 -0.152 3.640 1.00 11.68 O +ATOM 671 CB ASER A 85 -7.294 0.021 1.505 0.50 11.83 C +ATOM 672 CB BSER A 85 -7.264 0.010 1.519 0.50 11.78 C +ATOM 673 OG ASER A 85 -6.536 0.963 2.238 0.50 11.68 O +ATOM 674 OG BSER A 85 -8.261 0.734 0.819 0.50 11.41 O +ATOM 675 N ASER A 86 -7.750 -0.032 4.634 0.50 12.13 N +ATOM 676 N BSER A 86 -7.755 -0.022 4.632 0.50 11.96 N +ATOM 677 CA ASER A 86 -8.217 0.722 5.799 0.50 12.49 C +ATOM 678 CA BSER A 86 -8.245 0.717 5.797 0.50 12.13 C +ATOM 679 C ASER A 86 -8.683 2.121 5.398 0.50 12.46 C +ATOM 680 C BSER A 86 -8.679 2.131 5.408 0.50 12.27 C +ATOM 681 O ASER A 86 -9.608 2.672 5.998 0.50 12.80 O +ATOM 682 O BSER A 86 -9.578 2.703 6.025 0.50 12.61 O +ATOM 683 CB ASER A 86 -7.119 0.819 6.858 0.50 12.74 C +ATOM 684 CB BSER A 86 -7.181 0.768 6.892 0.50 12.31 C +ATOM 685 OG ASER A 86 -6.983 -0.400 7.568 0.50 13.34 O +ATOM 686 OG BSER A 86 -6.019 1.440 6.442 0.50 11.55 O +ATOM 687 N ASP A 87 -8.032 2.678 4.380 1.00 12.23 N +ATOM 688 CA ASP A 87 -8.402 3.970 3.811 1.00 12.45 C +ATOM 689 C ASP A 87 -9.506 3.730 2.781 1.00 11.83 C +ATOM 690 O ASP A 87 -9.332 2.932 1.856 1.00 12.05 O +ATOM 691 CB ASP A 87 -7.173 4.609 3.157 1.00 12.74 C +ATOM 692 CG ASP A 87 -7.443 6.002 2.632 1.00 14.76 C +ATOM 693 OD1 ASP A 87 -8.405 6.179 1.861 1.00 14.34 O +ATOM 694 OD2 ASP A 87 -6.676 6.926 2.982 1.00 17.64 O +ATOM 695 N ILE A 88 -10.633 4.423 2.938 1.00 11.43 N +ATOM 696 CA ILE A 88 -11.828 4.149 2.117 1.00 10.87 C +ATOM 697 C ILE A 88 -11.877 4.861 0.759 1.00 10.77 C +ATOM 698 O ILE A 88 -12.881 4.755 0.039 1.00 10.54 O +ATOM 699 CB ILE A 88 -13.156 4.384 2.909 1.00 11.02 C +ATOM 700 CG1 ILE A 88 -13.408 5.878 3.174 1.00 10.37 C +ATOM 701 CG2 ILE A 88 -13.150 3.565 4.198 1.00 10.90 C +ATOM 702 CD1 ILE A 88 -14.839 6.186 3.634 1.00 10.79 C +ATOM 703 N THR A 89 -10.797 5.558 0.398 1.00 10.43 N +ATOM 704 CA THR A 89 -10.766 6.350 -0.846 1.00 10.38 C +ATOM 705 C THR A 89 -11.197 5.558 -2.084 1.00 10.06 C +ATOM 706 O THR A 89 -12.095 5.993 -2.810 1.00 9.96 O +ATOM 707 CB THR A 89 -9.387 7.018 -1.090 1.00 10.38 C +ATOM 708 OG1 THR A 89 -9.076 7.871 0.016 1.00 11.47 O +ATOM 709 CG2 THR A 89 -9.402 7.849 -2.370 1.00 10.72 C +ATOM 710 N ALA A 90 -10.577 4.396 -2.307 1.00 10.09 N +ATOM 711 CA ALA A 90 -10.877 3.573 -3.480 1.00 10.21 C +ATOM 712 C ALA A 90 -12.343 3.139 -3.520 1.00 10.21 C +ATOM 713 O ALA A 90 -12.995 3.260 -4.562 1.00 10.27 O +ATOM 714 CB ALA A 90 -9.944 2.365 -3.558 1.00 10.47 C +ATOM 715 N SER A 91 -12.857 2.664 -2.383 1.00 9.93 N +ATOM 716 CA SER A 91 -14.273 2.273 -2.265 1.00 9.61 C +ATOM 717 C SER A 91 -15.231 3.436 -2.538 1.00 9.57 C +ATOM 718 O SER A 91 -16.219 3.270 -3.249 1.00 9.10 O +ATOM 719 CB SER A 91 -14.570 1.628 -0.903 1.00 9.93 C +ATOM 720 OG SER A 91 -14.011 0.320 -0.826 1.00 8.70 O +ATOM 721 N VAL A 92 -14.922 4.610 -1.987 1.00 9.72 N +ATOM 722 CA VAL A 92 -15.753 5.796 -2.206 1.00 9.93 C +ATOM 723 C VAL A 92 -15.751 6.211 -3.680 1.00 10.22 C +ATOM 724 O VAL A 92 -16.814 6.416 -4.270 1.00 10.10 O +ATOM 725 CB VAL A 92 -15.331 6.974 -1.288 1.00 9.83 C +ATOM 726 CG1 VAL A 92 -16.021 8.271 -1.713 1.00 9.65 C +ATOM 727 CG2 VAL A 92 -15.654 6.649 0.166 1.00 9.75 C +ATOM 728 N ASN A 93 -14.563 6.319 -4.273 1.00 10.49 N +ATOM 729 CA ASN A 93 -14.446 6.666 -5.690 1.00 11.19 C +ATOM 730 C ASN A 93 -15.222 5.715 -6.595 1.00 10.80 C +ATOM 731 O ASN A 93 -15.913 6.149 -7.520 1.00 10.98 O +ATOM 732 CB ASN A 93 -12.982 6.725 -6.120 1.00 11.88 C +ATOM 733 CG ASN A 93 -12.251 7.920 -5.535 1.00 13.81 C +ATOM 734 OD1 ASN A 93 -12.871 8.896 -5.101 1.00 17.94 O +ATOM 735 ND2 ASN A 93 -10.926 7.849 -5.519 1.00 16.02 N +ATOM 736 N CYS A 94 -15.110 4.421 -6.309 1.00 10.02 N +ATOM 737 CA CYS A 94 -15.829 3.415 -7.074 1.00 9.72 C +ATOM 738 C CYS A 94 -17.343 3.480 -6.822 1.00 9.37 C +ATOM 739 O CYS A 94 -18.131 3.408 -7.767 1.00 8.90 O +ATOM 740 CB CYS A 94 -15.269 2.021 -6.789 1.00 9.68 C +ATOM 741 SG CYS A 94 -15.883 0.737 -7.900 1.00 9.53 S +ATOM 742 N ALA A 95 -17.746 3.640 -5.559 1.00 8.93 N +ATOM 743 CA ALA A 95 -19.172 3.783 -5.218 1.00 8.57 C +ATOM 744 C ALA A 95 -19.822 4.972 -5.937 1.00 8.44 C +ATOM 745 O ALA A 95 -20.974 4.893 -6.357 1.00 8.15 O +ATOM 746 CB ALA A 95 -19.361 3.907 -3.724 1.00 8.38 C +ATOM 747 N LYS A 96 -19.074 6.063 -6.077 1.00 8.50 N +ATOM 748 CA LYS A 96 -19.551 7.217 -6.844 1.00 8.95 C +ATOM 749 C LYS A 96 -19.879 6.842 -8.290 1.00 9.17 C +ATOM 750 O LYS A 96 -20.875 7.304 -8.841 1.00 9.62 O +ATOM 751 CB LYS A 96 -18.532 8.358 -6.803 1.00 8.86 C +ATOM 752 CG LYS A 96 -18.451 9.061 -5.450 1.00 9.36 C +ATOM 753 CD LYS A 96 -17.371 10.148 -5.456 1.00 10.38 C +ATOM 754 CE LYS A 96 -17.327 10.879 -4.121 1.00 10.81 C +ATOM 755 NZ LYS A 96 -16.215 11.873 -4.055 1.00 12.31 N +ATOM 756 N LYS A 97 -19.050 5.994 -8.898 1.00 9.33 N +ATOM 757 CA LYS A 97 -19.316 5.525 -10.256 1.00 9.61 C +ATOM 758 C LYS A 97 -20.551 4.628 -10.305 1.00 9.51 C +ATOM 759 O LYS A 97 -21.395 4.775 -11.194 1.00 9.54 O +ATOM 760 CB LYS A 97 -18.097 4.808 -10.845 1.00 9.93 C +ATOM 761 CG LYS A 97 -16.922 5.727 -11.148 1.00 12.38 C +ATOM 762 CD LYS A 97 -15.725 4.931 -11.656 1.00 16.22 C +ATOM 763 CE LYS A 97 -14.521 5.830 -11.919 1.00 18.12 C +ATOM 764 NZ LYS A 97 -13.891 6.325 -10.660 1.00 20.59 N +ATOM 765 N ILE A 98 -20.656 3.719 -9.335 1.00 8.93 N +ATOM 766 CA ILE A 98 -21.756 2.757 -9.280 1.00 8.97 C +ATOM 767 C ILE A 98 -23.097 3.474 -9.130 1.00 8.90 C +ATOM 768 O ILE A 98 -24.047 3.173 -9.849 1.00 9.02 O +ATOM 769 CB ILE A 98 -21.571 1.728 -8.139 1.00 9.00 C +ATOM 770 CG1 ILE A 98 -20.271 0.937 -8.334 1.00 8.96 C +ATOM 771 CG2 ILE A 98 -22.758 0.770 -8.082 1.00 8.71 C +ATOM 772 CD1 ILE A 98 -19.824 0.164 -7.110 1.00 9.36 C +ATOM 773 N VAL A 99 -23.159 4.431 -8.208 1.00 8.99 N +ATOM 774 CA VAL A 99 -24.408 5.133 -7.916 1.00 9.60 C +ATOM 775 C VAL A 99 -24.822 6.090 -9.048 1.00 10.16 C +ATOM 776 O VAL A 99 -25.979 6.517 -9.115 1.00 10.60 O +ATOM 777 CB VAL A 99 -24.331 5.867 -6.557 1.00 9.10 C +ATOM 778 CG1 VAL A 99 -23.463 7.127 -6.661 1.00 8.97 C +ATOM 779 CG2 VAL A 99 -25.730 6.191 -6.040 1.00 10.03 C +ATOM 780 N SER A 100 -23.874 6.402 -9.933 1.00 11.19 N +ATOM 781 CA SER A 100 -24.125 7.252 -11.097 1.00 12.03 C +ATOM 782 C SER A 100 -24.548 6.439 -12.325 1.00 12.64 C +ATOM 783 O SER A 100 -24.831 7.005 -13.386 1.00 13.07 O +ATOM 784 CB SER A 100 -22.881 8.081 -11.427 1.00 11.86 C +ATOM 785 OG SER A 100 -22.490 8.880 -10.328 1.00 12.22 O +ATOM 786 N ASP A 101 -24.604 5.119 -12.166 1.00 13.24 N +ATOM 787 CA ASP A 101 -24.790 4.185 -13.282 1.00 13.71 C +ATOM 788 C ASP A 101 -26.214 4.122 -13.849 1.00 13.55 C +ATOM 789 O ASP A 101 -26.424 3.554 -14.926 1.00 13.90 O +ATOM 790 CB ASP A 101 -24.321 2.784 -12.878 1.00 14.22 C +ATOM 791 CG ASP A 101 -24.176 1.857 -14.059 1.00 15.25 C +ATOM 792 OD1 ASP A 101 -23.385 2.175 -14.971 1.00 17.37 O +ATOM 793 OD2 ASP A 101 -24.859 0.813 -14.072 1.00 17.31 O +ATOM 794 N GLY A 102 -27.184 4.689 -13.135 1.00 13.16 N +ATOM 795 CA GLY A 102 -28.564 4.743 -13.632 1.00 12.58 C +ATOM 796 C GLY A 102 -29.628 4.332 -12.632 1.00 12.35 C +ATOM 797 O GLY A 102 -30.757 4.824 -12.680 1.00 12.27 O +ATOM 798 N ASN A 103 -29.280 3.428 -11.722 1.00 11.77 N +ATOM 799 CA ASN A 103 -30.256 2.921 -10.768 1.00 11.41 C +ATOM 800 C ASN A 103 -30.056 3.450 -9.348 1.00 10.46 C +ATOM 801 O ASN A 103 -30.672 2.953 -8.397 1.00 9.92 O +ATOM 802 CB ASN A 103 -30.297 1.388 -10.806 1.00 12.08 C +ATOM 803 CG ASN A 103 -30.835 0.850 -12.134 1.00 13.76 C +ATOM 804 OD1 ASN A 103 -31.867 1.301 -12.629 1.00 16.95 O +ATOM 805 ND2 ASN A 103 -30.121 -0.105 -12.718 1.00 16.59 N +ATOM 806 N GLY A 104 -29.216 4.478 -9.214 1.00 9.47 N +ATOM 807 CA GLY A 104 -28.931 5.064 -7.915 1.00 8.84 C +ATOM 808 C GLY A 104 -28.453 4.000 -6.942 1.00 8.45 C +ATOM 809 O GLY A 104 -27.727 3.082 -7.326 1.00 8.08 O +ATOM 810 N MET A 105 -28.889 4.097 -5.689 1.00 7.99 N +ATOM 811 CA MET A 105 -28.417 3.164 -4.665 1.00 7.71 C +ATOM 812 C MET A 105 -29.063 1.773 -4.711 1.00 7.45 C +ATOM 813 O MET A 105 -28.667 0.882 -3.955 1.00 7.14 O +ATOM 814 CB MET A 105 -28.505 3.781 -3.263 1.00 7.63 C +ATOM 815 CG MET A 105 -27.473 4.880 -3.022 1.00 7.44 C +ATOM 816 SD MET A 105 -27.236 5.300 -1.291 1.00 7.95 S +ATOM 817 CE MET A 105 -26.358 3.853 -0.683 1.00 7.85 C +ATOM 818 N ASN A 106 -30.038 1.585 -5.605 1.00 7.41 N +ATOM 819 CA ASN A 106 -30.630 0.260 -5.837 1.00 7.58 C +ATOM 820 C ASN A 106 -29.615 -0.792 -6.310 1.00 7.69 C +ATOM 821 O ASN A 106 -29.877 -1.991 -6.214 1.00 8.26 O +ATOM 822 CB ASN A 106 -31.811 0.336 -6.814 1.00 7.58 C +ATOM 823 CG ASN A 106 -32.956 1.182 -6.285 1.00 7.41 C +ATOM 824 OD1 ASN A 106 -33.597 0.832 -5.289 1.00 9.05 O +ATOM 825 ND2 ASN A 106 -33.223 2.298 -6.955 1.00 8.88 N +ATOM 826 N ALA A 107 -28.462 -0.340 -6.808 1.00 7.73 N +ATOM 827 CA ALA A 107 -27.347 -1.240 -7.130 1.00 7.77 C +ATOM 828 C ALA A 107 -26.949 -2.086 -5.914 1.00 8.12 C +ATOM 829 O ALA A 107 -26.522 -3.234 -6.059 1.00 8.38 O +ATOM 830 CB ALA A 107 -26.160 -0.453 -7.636 1.00 7.79 C +ATOM 831 N TRP A 108 -27.092 -1.506 -4.725 1.00 8.21 N +ATOM 832 CA TRP A 108 -26.889 -2.227 -3.471 1.00 8.49 C +ATOM 833 C TRP A 108 -28.208 -2.831 -3.020 1.00 8.64 C +ATOM 834 O TRP A 108 -29.043 -2.149 -2.429 1.00 8.73 O +ATOM 835 CB TRP A 108 -26.331 -1.294 -2.388 1.00 8.09 C +ATOM 836 CG TRP A 108 -24.922 -0.853 -2.639 1.00 8.35 C +ATOM 837 CD1 TRP A 108 -23.774 -1.486 -2.230 1.00 8.28 C +ATOM 838 CD2 TRP A 108 -24.504 0.309 -3.365 1.00 7.76 C +ATOM 839 NE1 TRP A 108 -22.668 -0.782 -2.658 1.00 8.18 N +ATOM 840 CE2 TRP A 108 -23.086 0.322 -3.356 1.00 8.26 C +ATOM 841 CE3 TRP A 108 -25.188 1.345 -4.023 1.00 7.34 C +ATOM 842 CZ2 TRP A 108 -22.339 1.333 -3.977 1.00 8.06 C +ATOM 843 CZ3 TRP A 108 -24.445 2.352 -4.642 1.00 7.55 C +ATOM 844 CH2 TRP A 108 -23.032 2.334 -4.619 1.00 8.22 C +ATOM 845 N VAL A 109 -28.405 -4.114 -3.312 1.00 9.10 N +ATOM 846 CA VAL A 109 -29.660 -4.778 -2.960 1.00 9.57 C +ATOM 847 C VAL A 109 -29.971 -4.676 -1.454 1.00 9.34 C +ATOM 848 O VAL A 109 -31.127 -4.469 -1.080 1.00 9.86 O +ATOM 849 CB VAL A 109 -29.707 -6.236 -3.481 1.00 9.52 C +ATOM 850 CG1 VAL A 109 -30.978 -6.946 -3.021 1.00 10.17 C +ATOM 851 CG2 VAL A 109 -29.610 -6.251 -5.004 1.00 10.48 C +ATOM 852 N ALA A 110 -28.941 -4.776 -0.608 1.00 9.27 N +ATOM 853 CA ALA A 110 -29.105 -4.585 0.843 1.00 9.25 C +ATOM 854 C ALA A 110 -29.609 -3.185 1.188 1.00 9.10 C +ATOM 855 O ALA A 110 -30.419 -3.034 2.107 1.00 9.45 O +ATOM 856 CB ALA A 110 -27.816 -4.893 1.594 1.00 9.61 C +ATOM 857 N TRP A 111 -29.149 -2.168 0.455 1.00 8.73 N +ATOM 858 CA TRP A 111 -29.683 -0.814 0.649 1.00 8.46 C +ATOM 859 C TRP A 111 -31.171 -0.787 0.305 1.00 8.62 C +ATOM 860 O TRP A 111 -31.987 -0.281 1.077 1.00 8.89 O +ATOM 861 CB TRP A 111 -28.925 0.241 -0.169 1.00 8.27 C +ATOM 862 CG TRP A 111 -29.557 1.608 -0.042 1.00 8.36 C +ATOM 863 CD1 TRP A 111 -29.315 2.528 0.929 1.00 8.19 C +ATOM 864 CD2 TRP A 111 -30.557 2.185 -0.900 1.00 7.96 C +ATOM 865 NE1 TRP A 111 -30.087 3.645 0.730 1.00 7.98 N +ATOM 866 CE2 TRP A 111 -30.856 3.466 -0.386 1.00 8.20 C +ATOM 867 CE3 TRP A 111 -31.216 1.750 -2.061 1.00 8.78 C +ATOM 868 CZ2 TRP A 111 -31.790 4.320 -0.987 1.00 8.34 C +ATOM 869 CZ3 TRP A 111 -32.143 2.599 -2.662 1.00 8.30 C +ATOM 870 CH2 TRP A 111 -32.420 3.872 -2.121 1.00 8.35 C +ATOM 871 N ARG A 112 -31.527 -1.351 -0.844 1.00 8.87 N +ATOM 872 CA ARG A 112 -32.929 -1.386 -1.256 1.00 9.24 C +ATOM 873 C ARG A 112 -33.795 -2.095 -0.218 1.00 8.91 C +ATOM 874 O ARG A 112 -34.866 -1.610 0.146 1.00 8.87 O +ATOM 875 CB ARG A 112 -33.087 -2.045 -2.630 1.00 9.46 C +ATOM 876 CG ARG A 112 -34.503 -1.911 -3.201 1.00 11.47 C +ATOM 877 CD ARG A 112 -34.641 -2.470 -4.617 1.00 14.11 C +ATOM 878 NE ARG A 112 -34.094 -3.821 -4.759 1.00 17.41 N +ATOM 879 CZ ARG A 112 -34.716 -4.949 -4.415 1.00 19.51 C +ATOM 880 NH1 ARG A 112 -35.936 -4.933 -3.889 1.00 20.78 N +ATOM 881 NH2 ARG A 112 -34.102 -6.109 -4.600 1.00 19.98 N +ATOM 882 N ASN A 113 -33.317 -3.232 0.272 1.00 8.74 N +ATOM 883 CA ASN A 113 -34.119 -4.066 1.164 1.00 8.74 C +ATOM 884 C ASN A 113 -34.107 -3.636 2.628 1.00 8.68 C +ATOM 885 O ASN A 113 -35.025 -3.962 3.381 1.00 8.87 O +ATOM 886 CB ASN A 113 -33.704 -5.536 1.035 1.00 8.85 C +ATOM 887 CG ASN A 113 -34.094 -6.137 -0.304 1.00 9.14 C +ATOM 888 OD1 ASN A 113 -35.097 -5.748 -0.906 1.00 9.73 O +ATOM 889 ND2 ASN A 113 -33.305 -7.098 -0.772 1.00 9.87 N +ATOM 890 N ARG A 114 -33.085 -2.889 3.036 1.00 8.48 N +ATOM 891 CA ARG A 114 -32.920 -2.594 4.462 1.00 8.28 C +ATOM 892 C ARG A 114 -32.800 -1.118 4.830 1.00 8.55 C +ATOM 893 O ARG A 114 -32.961 -0.764 5.999 1.00 9.02 O +ATOM 894 CB ARG A 114 -31.742 -3.397 5.034 1.00 8.36 C +ATOM 895 CG ARG A 114 -31.889 -4.900 4.814 1.00 7.92 C +ATOM 896 CD ARG A 114 -30.689 -5.667 5.319 1.00 7.69 C +ATOM 897 NE ARG A 114 -30.703 -5.813 6.776 1.00 7.26 N +ATOM 898 CZ ARG A 114 -29.860 -6.589 7.453 1.00 7.49 C +ATOM 899 NH1 ARG A 114 -28.932 -7.292 6.808 1.00 7.93 N +ATOM 900 NH2 ARG A 114 -29.941 -6.662 8.775 1.00 7.53 N +ATOM 901 N CYS A 115 -32.525 -0.262 3.846 1.00 8.07 N +ATOM 902 CA CYS A 115 -32.298 1.165 4.110 1.00 8.47 C +ATOM 903 C CYS A 115 -33.302 2.072 3.413 1.00 8.71 C +ATOM 904 O CYS A 115 -33.769 3.049 3.996 1.00 8.96 O +ATOM 905 CB CYS A 115 -30.889 1.578 3.684 1.00 8.07 C +ATOM 906 SG CYS A 115 -29.597 0.689 4.518 1.00 8.47 S +ATOM 907 N LYS A 116 -33.600 1.753 2.156 1.00 9.17 N +ATOM 908 CA LYS A 116 -34.511 2.538 1.329 1.00 9.66 C +ATOM 909 C LYS A 116 -35.839 2.789 2.047 1.00 10.11 C +ATOM 910 O LYS A 116 -36.491 1.846 2.509 1.00 10.34 O +ATOM 911 CB LYS A 116 -34.735 1.812 -0.001 1.00 9.62 C +ATOM 912 CG LYS A 116 -35.521 2.587 -1.050 1.00 9.97 C +ATOM 913 CD LYS A 116 -35.593 1.775 -2.328 1.00 9.41 C +ATOM 914 CE LYS A 116 -36.273 2.543 -3.450 1.00 9.91 C +ATOM 915 NZ LYS A 116 -36.316 1.725 -4.697 1.00 8.12 N +ATOM 916 N GLY A 117 -36.211 4.065 2.159 1.00 10.80 N +ATOM 917 CA GLY A 117 -37.493 4.462 2.749 1.00 11.73 C +ATOM 918 C GLY A 117 -37.550 4.466 4.269 1.00 12.28 C +ATOM 919 O GLY A 117 -38.578 4.835 4.854 1.00 13.18 O +ATOM 920 N THR A 118 -36.458 4.055 4.911 1.00 12.11 N +ATOM 921 CA THR A 118 -36.374 4.042 6.374 1.00 12.04 C +ATOM 922 C THR A 118 -35.835 5.378 6.888 1.00 12.25 C +ATOM 923 O THR A 118 -35.468 6.256 6.102 1.00 12.01 O +ATOM 924 CB THR A 118 -35.493 2.865 6.909 1.00 11.85 C +ATOM 925 OG1 THR A 118 -34.104 3.158 6.706 1.00 10.80 O +ATOM 926 CG2 THR A 118 -35.847 1.544 6.221 1.00 11.49 C +ATOM 927 N ASP A 119 -35.803 5.531 8.209 1.00 12.71 N +ATOM 928 CA ASP A 119 -35.268 6.735 8.839 1.00 12.99 C +ATOM 929 C ASP A 119 -33.741 6.657 8.847 1.00 12.61 C +ATOM 930 O ASP A 119 -33.125 6.385 9.876 1.00 12.86 O +ATOM 931 CB ASP A 119 -35.834 6.885 10.261 1.00 13.58 C +ATOM 932 CG ASP A 119 -35.279 8.099 11.006 1.00 14.94 C +ATOM 933 OD1 ASP A 119 -34.818 9.065 10.359 1.00 14.97 O +ATOM 934 OD2 ASP A 119 -35.316 8.084 12.259 1.00 17.21 O +ATOM 935 N VAL A 120 -33.136 6.902 7.686 1.00 12.33 N +ATOM 936 CA VAL A 120 -31.687 6.736 7.528 1.00 12.01 C +ATOM 937 C VAL A 120 -30.857 7.768 8.299 1.00 12.19 C +ATOM 938 O VAL A 120 -29.687 7.524 8.583 1.00 12.05 O +ATOM 939 CB VAL A 120 -31.255 6.678 6.035 1.00 11.77 C +ATOM 940 CG1 VAL A 120 -31.772 5.391 5.377 1.00 11.07 C +ATOM 941 CG2 VAL A 120 -31.728 7.908 5.273 1.00 11.85 C +ATOM 942 N GLN A 121 -31.472 8.900 8.648 1.00 12.82 N +ATOM 943 CA GLN A 121 -30.813 9.928 9.462 1.00 13.46 C +ATOM 944 C GLN A 121 -30.357 9.389 10.826 1.00 13.17 C +ATOM 945 O GLN A 121 -29.371 9.872 11.394 1.00 13.38 O +ATOM 946 CB GLN A 121 -31.735 11.150 9.632 1.00 13.95 C +ATOM 947 CG GLN A 121 -31.085 12.378 10.290 1.00 16.53 C +ATOM 948 CD GLN A 121 -30.997 12.263 11.811 1.00 18.98 C +ATOM 949 OE1 GLN A 121 -31.899 11.731 12.459 1.00 21.14 O +ATOM 950 NE2 GLN A 121 -29.900 12.749 12.380 1.00 20.20 N +ATOM 951 N ALA A 122 -31.071 8.388 11.339 1.00 12.84 N +ATOM 952 CA ALA A 122 -30.695 7.715 12.584 1.00 12.72 C +ATOM 953 C ALA A 122 -29.236 7.260 12.570 1.00 12.58 C +ATOM 954 O ALA A 122 -28.570 7.279 13.596 1.00 12.55 O +ATOM 955 CB ALA A 122 -31.618 6.528 12.862 1.00 12.75 C +ATOM 956 N TRP A 123 -28.746 6.873 11.395 1.00 12.31 N +ATOM 957 CA TRP A 123 -27.375 6.378 11.251 1.00 12.58 C +ATOM 958 C TRP A 123 -26.283 7.418 11.507 1.00 12.88 C +ATOM 959 O TRP A 123 -25.152 7.059 11.847 1.00 12.76 O +ATOM 960 CB TRP A 123 -27.196 5.708 9.889 1.00 12.39 C +ATOM 961 CG TRP A 123 -27.943 4.421 9.839 1.00 12.50 C +ATOM 962 CD1 TRP A 123 -29.125 4.179 9.202 1.00 12.97 C +ATOM 963 CD2 TRP A 123 -27.580 3.201 10.498 1.00 12.10 C +ATOM 964 NE1 TRP A 123 -29.513 2.875 9.407 1.00 11.58 N +ATOM 965 CE2 TRP A 123 -28.585 2.253 10.203 1.00 12.25 C +ATOM 966 CE3 TRP A 123 -26.501 2.818 11.311 1.00 11.64 C +ATOM 967 CZ2 TRP A 123 -28.539 0.938 10.684 1.00 12.09 C +ATOM 968 CZ3 TRP A 123 -26.457 1.512 11.793 1.00 12.50 C +ATOM 969 CH2 TRP A 123 -27.477 0.590 11.477 1.00 12.45 C +ATOM 970 N ILE A 124 -26.624 8.697 11.348 1.00 13.22 N +ATOM 971 CA ILE A 124 -25.686 9.789 11.644 1.00 13.91 C +ATOM 972 C ILE A 124 -26.093 10.610 12.880 1.00 14.34 C +ATOM 973 O ILE A 124 -25.470 11.637 13.175 1.00 14.18 O +ATOM 974 CB ILE A 124 -25.464 10.736 10.422 1.00 13.94 C +ATOM 975 CG1 ILE A 124 -26.757 11.462 10.033 1.00 13.87 C +ATOM 976 CG2 ILE A 124 -24.867 9.970 9.239 1.00 13.96 C +ATOM 977 CD1 ILE A 124 -26.566 12.580 8.998 1.00 14.89 C +ATOM 978 N AARG A 125 -27.132 10.150 13.578 0.70 14.66 N +ATOM 979 N BARG A 125 -27.117 10.147 13.595 0.30 14.53 N +ATOM 980 CA AARG A 125 -27.628 10.813 14.783 0.70 15.21 C +ATOM 981 CA BARG A 125 -27.653 10.859 14.758 0.30 14.88 C +ATOM 982 C AARG A 125 -26.515 10.935 15.816 0.70 15.20 C +ATOM 983 C BARG A 125 -26.639 10.923 15.899 0.30 15.07 C +ATOM 984 O AARG A 125 -25.811 9.964 16.104 0.70 15.22 O +ATOM 985 O BARG A 125 -26.138 9.895 16.358 0.30 15.14 O +ATOM 986 CB AARG A 125 -28.826 10.057 15.375 0.70 15.36 C +ATOM 987 CB BARG A 125 -28.952 10.203 15.236 0.30 14.84 C +ATOM 988 CG AARG A 125 -29.394 10.694 16.641 0.70 16.52 C +ATOM 989 CG BARG A 125 -29.887 11.142 15.993 0.30 14.91 C +ATOM 990 CD AARG A 125 -30.543 9.894 17.239 0.70 18.96 C +ATOM 991 CD BARG A 125 -31.081 10.399 16.585 0.30 14.83 C +ATOM 992 NE AARG A 125 -30.729 10.219 18.654 0.70 21.11 N +ATOM 993 NE BARG A 125 -31.844 9.662 15.578 0.30 14.73 N +ATOM 994 CZ AARG A 125 -31.476 11.220 19.117 0.70 22.18 C +ATOM 995 CZ BARG A 125 -32.880 10.149 14.899 0.30 14.74 C +ATOM 996 NH1AARG A 125 -31.563 11.423 20.424 0.70 22.40 N +ATOM 997 NH1BARG A 125 -33.299 11.392 15.103 0.30 15.11 N +ATOM 998 NH2AARG A 125 -32.137 12.019 18.288 0.70 23.26 N +ATOM 999 NH2BARG A 125 -33.499 9.387 14.006 0.30 14.60 N +ATOM 1000 N GLY A 126 -26.341 12.142 16.343 1.00 15.42 N +ATOM 1001 CA GLY A 126 -25.371 12.374 17.408 1.00 15.63 C +ATOM 1002 C GLY A 126 -23.920 12.495 16.966 1.00 15.92 C +ATOM 1003 O GLY A 126 -23.052 12.796 17.787 1.00 16.21 O +ATOM 1004 N CYS A 127 -23.648 12.266 15.682 1.00 15.96 N +ATOM 1005 CA CYS A 127 -22.278 12.322 15.168 1.00 16.11 C +ATOM 1006 C CYS A 127 -21.810 13.759 14.980 1.00 16.84 C +ATOM 1007 O CYS A 127 -22.533 14.585 14.422 1.00 16.70 O +ATOM 1008 CB CYS A 127 -22.152 11.587 13.834 1.00 15.73 C +ATOM 1009 SG CYS A 127 -22.696 9.870 13.844 1.00 14.07 S +ATOM 1010 N ARG A 128 -20.596 14.039 15.443 1.00 18.09 N +ATOM 1011 CA ARG A 128 -19.965 15.330 15.215 1.00 19.36 C +ATOM 1012 C ARG A 128 -19.496 15.343 13.767 1.00 20.16 C +ATOM 1013 O ARG A 128 -18.499 14.705 13.421 1.00 20.65 O +ATOM 1014 CB ARG A 128 -18.798 15.531 16.184 1.00 19.26 C +ATOM 1015 CG ARG A 128 -18.281 16.959 16.288 1.00 19.80 C +ATOM 1016 CD ARG A 128 -17.326 17.090 17.467 1.00 20.22 C +ATOM 1017 NE ARG A 128 -16.858 18.461 17.670 1.00 21.63 N +ATOM 1018 CZ ARG A 128 -17.447 19.355 18.461 1.00 21.51 C +ATOM 1019 NH1 ARG A 128 -16.934 20.573 18.581 1.00 21.81 N +ATOM 1020 NH2 ARG A 128 -18.550 19.038 19.136 1.00 21.44 N +ATOM 1021 N LEU A 129 -20.247 16.036 12.917 1.00 21.05 N +ATOM 1022 CA LEU A 129 -19.968 16.032 11.485 1.00 21.90 C +ATOM 1023 C LEU A 129 -19.771 17.432 10.934 1.00 22.28 C +ATOM 1024 O LEU A 129 -20.207 18.427 11.524 1.00 22.71 O +ATOM 1025 CB LEU A 129 -21.089 15.328 10.716 1.00 22.00 C +ATOM 1026 CG LEU A 129 -21.295 13.828 10.934 1.00 22.44 C +ATOM 1027 CD1 LEU A 129 -22.648 13.408 10.380 1.00 23.15 C +ATOM 1028 CD2 LEU A 129 -20.176 13.009 10.305 1.00 22.71 C +ATOM 1029 OXT LEU A 129 -19.181 17.573 9.865 1.00 22.51 O +TER 1030 LEU A 129 +HETATM 1031 N ARG A 130 -24.045 -11.586 1.328 0.10 2.00 N +HETATM 1032 CA ARG A 130 -25.317 -11.382 0.577 0.10 2.00 C +HETATM 1033 C ARG A 130 -25.320 -12.206 -0.713 0.10 2.00 C +HETATM 1034 O ARG A 130 -25.803 -11.787 -1.767 0.10 2.00 O +HETATM 1035 CB ARG A 130 -25.528 -9.893 0.285 0.10 2.00 C +HETATM 1036 CG ARG A 130 -26.980 -9.482 0.089 0.10 2.00 C +HETATM 1037 CD ARG A 130 -27.081 -8.038 -0.375 0.10 2.00 C +HETATM 1038 NE ARG A 130 -26.815 -7.885 -1.807 0.10 2.00 N +HETATM 1039 CZ ARG A 130 -26.466 -6.740 -2.390 0.10 2.00 C +HETATM 1040 NH1 ARG A 130 -26.249 -6.693 -3.697 0.10 2.00 N +HETATM 1041 NH2 ARG A 130 -26.321 -5.639 -1.668 0.10 2.00 N +HETATM 1042 OXT ARG A 130 -24.833 -13.336 -0.731 0.10 2.00 O +HETATM 1043 N ARG A 131 -25.190 -12.163 -15.683 0.00 10.57 N +HETATM 1044 CA ARG A 131 -23.903 -12.565 -15.052 0.00 10.00 C +HETATM 1045 C ARG A 131 -24.024 -14.004 -14.583 0.00 10.22 C +HETATM 1046 O ARG A 131 -23.104 -14.624 -14.030 0.00 9.88 O +HETATM 1047 CB ARG A 131 -23.578 -11.661 -13.876 0.00 10.71 C +HETATM 1048 CG ARG A 131 -24.645 -11.656 -12.813 0.00 9.26 C +HETATM 1049 CD ARG A 131 -25.297 -10.313 -12.733 0.00 7.66 C +HETATM 1050 NE ARG A 131 -24.777 -9.496 -11.641 0.00 9.88 N +HETATM 1051 CZ ARG A 131 -24.895 -8.176 -11.583 0.00 7.96 C +HETATM 1052 NH1 ARG A 131 -24.402 -7.503 -10.555 0.00 9.03 N +HETATM 1053 NH2 ARG A 131 -25.504 -7.525 -12.560 0.00 7.86 N +HETATM 1054 OXT ARG A 131 -25.083 -14.582 -14.794 0.00 9.74 O +HETATM 1055 N ARG A 132 -24.349 -2.849 -13.392 0.00 14.77 N +HETATM 1056 CA ARG A 132 -24.241 -2.401 -14.805 0.00 14.90 C +HETATM 1057 C ARG A 132 -24.941 -3.398 -15.716 0.00 14.98 C +HETATM 1058 O ARG A 132 -24.940 -3.257 -16.942 0.00 15.02 O +HETATM 1059 CB ARG A 132 -22.778 -2.270 -15.200 0.00 14.95 C +HETATM 1060 CG ARG A 132 -22.539 -2.099 -16.675 0.00 14.97 C +HETATM 1061 CD ARG A 132 -22.327 -0.650 -17.012 0.00 15.24 C +HETATM 1062 NE ARG A 132 -21.424 -0.493 -18.149 0.00 15.96 N +HETATM 1063 CZ ARG A 132 -21.076 -1.474 -18.979 0.00 15.74 C +HETATM 1064 NH1 ARG A 132 -20.241 -1.231 -19.977 0.00 15.65 N +HETATM 1065 NH2 ARG A 132 -21.556 -2.695 -18.812 0.00 16.27 N +HETATM 1066 OXT ARG A 132 -25.522 -4.372 -15.242 0.00 14.94 O +HETATM 1067 N ARG A 133 -27.966 3.676 17.304 0.20 15.71 N +HETATM 1068 CA ARG A 133 -27.694 4.623 16.183 0.20 15.69 C +HETATM 1069 C ARG A 133 -28.326 5.996 16.426 0.20 15.68 C +HETATM 1070 O ARG A 133 -29.517 6.125 16.713 0.20 15.69 O +HETATM 1071 CB ARG A 133 -28.146 4.032 14.837 0.20 15.69 C +HETATM 1072 CG ARG A 133 -29.607 3.588 14.777 0.20 15.68 C +HETATM 1073 CD ARG A 133 -29.974 3.085 13.392 0.20 15.85 C +HETATM 1074 NE ARG A 133 -31.420 2.966 13.216 0.20 15.70 N +HETATM 1075 CZ ARG A 133 -32.126 1.861 13.449 0.20 16.00 C +HETATM 1076 NH1 ARG A 133 -31.530 0.754 13.873 0.20 16.13 N +HETATM 1077 NH2 ARG A 133 -33.437 1.865 13.256 0.20 16.20 N +HETATM 1078 OXT ARG A 133 -27.651 7.022 16.347 0.20 15.71 O +HETATM 1079 CL CL A 134 -31.278 8.339 -7.912 1.00 14.52 CL +HETATM 1080 NA NA A 135 -13.941 -7.861 -12.861 1.00 13.95 NA +HETATM 1081 O HOH A 136 -7.616 10.058 -0.216 1.00 24.42 O +HETATM 1082 O HOH A 137 -29.125 11.229 6.530 1.00 4.69 O +HETATM 1083 O HOH A 138 -11.512 -11.655 -14.021 1.00 3.61 O +HETATM 1084 O HOH A 139 -11.201 -13.117 -4.040 1.00 8.10 O +HETATM 1085 O HOH A 140 -11.081 1.406 -0.270 1.00 11.14 O +HETATM 1086 O HOH A 141 -5.833 -5.461 -11.318 1.00 12.20 O +HETATM 1087 O HOH A 142 -25.831 14.241 3.854 1.00 14.61 O +HETATM 1088 O HOH A 143 -8.299 3.602 -0.674 1.00 11.96 O +HETATM 1089 O HOH A 144 -22.327 -9.218 -0.085 1.00 10.17 O +HETATM 1090 O HOH A 145 -14.572 -13.672 -7.743 1.00 9.10 O +HETATM 1091 O HOH A 146 -17.538 6.112 15.928 1.00 12.65 O +HETATM 1092 O HOH A 147 -10.879 -5.404 9.414 1.00 8.38 O +HETATM 1093 O HOH A 148 -31.024 10.606 -5.559 1.00 16.14 O +HETATM 1094 O HOH A 149 -32.714 -4.562 8.343 1.00 9.83 O +HETATM 1095 O HOH A 150 -13.769 -2.837 -17.986 1.00 17.82 O +HETATM 1096 O HOH A 151 -27.983 6.427 -10.954 1.00 10.99 O +HETATM 1097 O HOH A 152 -16.395 -1.418 -0.896 1.00 7.77 O +HETATM 1098 O HOH A 153 -38.291 3.163 -6.363 1.00 14.09 O +HETATM 1099 O HOH A 154 -11.902 0.737 2.361 1.00 8.88 O +HETATM 1100 O HOH A 155 -18.528 -0.733 14.398 1.00 14.74 O +HETATM 1101 O HOH A 156 -25.977 -7.592 2.942 1.00 14.72 O +HETATM 1102 O HOH A 157 -12.556 -9.641 -11.879 1.00 10.74 O +HETATM 1103 O HOH A 158 -26.715 2.505 -9.975 1.00 9.92 O +HETATM 1104 O HOH A 159 -11.679 3.133 -6.950 1.00 17.73 O +HETATM 1105 O HOH A 160 -13.668 -1.178 2.106 1.00 16.12 O +HETATM 1106 O HOH A 161 -31.141 11.457 0.668 1.00 12.18 O +HETATM 1107 O HOH A 162 -23.970 -7.408 -1.322 1.00 11.20 O +HETATM 1108 O HOH A 163 -33.564 6.014 1.505 1.00 15.36 O +HETATM 1109 O HOH A 164 -19.670 -3.021 13.386 1.00 17.33 O +HETATM 1110 O HOH A 165 -35.241 7.061 3.468 1.00 12.73 O +HETATM 1111 O HOH A 166 -12.039 -7.652 -14.131 1.00 9.49 O +HETATM 1112 O HOH A 167 -33.429 -1.682 8.506 1.00 13.19 O +HETATM 1113 O HOH A 168 -19.264 11.879 17.211 1.00 18.95 O +HETATM 1114 O HOH A 169 -6.839 -2.869 -12.170 1.00 17.43 O +HETATM 1115 O HOH A 170 -6.818 1.304 -1.747 1.00 13.38 O +HETATM 1116 O HOH A 171 -9.514 4.895 -6.566 1.00 25.70 O +HETATM 1117 O HOH A 172 -8.611 -5.301 -15.675 1.00 15.39 O +HETATM 1118 O HOH A 173 -18.401 -16.257 0.699 1.00 28.06 O +HETATM 1119 O HOH A 174 -17.917 -8.095 7.932 1.00 18.28 O +HETATM 1120 O HOH A 175 -23.503 14.509 -6.713 1.00 15.37 O +HETATM 1121 O HOH A 176 -23.299 -11.093 -9.625 1.00 20.80 O +HETATM 1122 O HOH A 177 -37.287 3.836 9.821 1.00 15.43 O +HETATM 1123 O HOH A 178 -8.871 3.772 -11.116 1.00 29.18 O +HETATM 1124 O HOH A 179 -15.422 8.198 -9.017 1.00 20.17 O +HETATM 1125 O HOH A 180 -21.378 5.532 -13.684 1.00 22.51 O +HETATM 1126 O HOH A 181 -5.062 2.119 3.546 1.00 27.95 O +HETATM 1127 O HOH A 182 -20.360 5.853 16.540 1.00 17.54 O +HETATM 1128 O HOH A 183 -33.311 9.135 2.376 1.00 16.95 O +HETATM 1129 O HOH A 184 -17.861 12.487 -9.052 1.00 26.21 O +HETATM 1130 O HOH A 185 -24.462 -5.887 9.517 1.00 19.40 O +HETATM 1131 O HOH A 186 -32.315 2.630 8.774 1.00 11.41 O +HETATM 1132 O HOH A 187 -31.928 0.143 10.218 1.00 11.79 O +HETATM 1133 O HOH A 188 -5.944 2.160 -4.274 1.00 21.76 O +HETATM 1134 O HOH A 189 -10.216 -1.981 13.408 1.00 15.07 O +HETATM 1135 O HOH A 190 -22.350 -11.396 -1.780 1.00 18.96 O +HETATM 1136 O HOH A 191 -35.849 -0.205 9.429 1.00 13.89 O +HETATM 1137 O HOH A 192 -24.565 14.489 19.862 1.00 16.83 O +HETATM 1138 O HOH A 193 -25.141 -15.153 -4.572 1.00 18.44 O +HETATM 1139 O HOH A 194 -14.351 -14.402 0.033 0.50 15.37 O +HETATM 1140 O HOH A 195 -12.657 -12.663 -18.652 0.50 16.94 O +HETATM 1141 O HOH A 196 -23.237 -5.318 -3.016 1.00 12.38 O +HETATM 1142 O HOH A 197 -24.699 -7.678 7.148 1.00 16.97 O +HETATM 1143 O HOH A 198 -4.511 -3.169 -3.299 1.00 20.40 O +HETATM 1144 O HOH A 199 -12.758 9.399 -2.228 1.00 25.68 O +HETATM 1145 O HOH A 200 -12.620 4.155 -9.333 1.00 23.74 O +HETATM 1146 O HOH A 201 -10.213 4.221 14.655 1.00 27.67 O +HETATM 1147 O HOH A 202 -23.588 -3.733 -9.941 1.00 16.05 O +HETATM 1148 O HOH A 203 -13.180 9.033 10.351 1.00 22.25 O +HETATM 1149 O HOH A 204 -5.511 -0.145 -11.590 1.00 28.11 O +HETATM 1150 O HOH A 205 -7.202 -3.689 5.044 1.00 22.10 O +HETATM 1151 O HOH A 206 -24.050 -6.871 -7.296 1.00 19.72 O +HETATM 1152 O HOH A 207 -36.247 0.287 -7.431 1.00 16.04 O +HETATM 1153 O HOH A 208 -5.973 -3.959 0.436 1.00 19.93 O +HETATM 1154 O HOH A 209 -8.112 9.203 2.602 1.00 23.37 O +HETATM 1155 O HOH A 210 -31.853 -1.203 -14.730 1.00 26.66 O +HETATM 1156 O HOH A 211 -7.312 -2.915 8.005 1.00 19.91 O +HETATM 1157 O HOH A 212 -5.008 -1.196 4.427 1.00 19.66 O +HETATM 1158 O HOH A 213 -27.091 -4.655 -8.294 1.00 25.96 O +HETATM 1159 O HOH A 214 -27.302 -8.694 -5.048 1.00 23.63 O +HETATM 1160 O HOH A 215 -27.080 0.273 -11.566 1.00 21.23 O +HETATM 1161 O HOH A 216 -7.166 -14.820 -14.531 1.00 26.02 O +HETATM 1162 O HOH A 217 -10.420 -5.559 12.385 1.00 8.15 O +HETATM 1163 O HOH A 218 -18.797 -9.839 5.941 1.00 14.35 O +HETATM 1164 O HOH A 219 -24.500 -4.968 -5.316 1.00 18.09 O +HETATM 1165 O HOH A 220 -12.611 11.099 8.609 1.00 27.12 O +HETATM 1166 O HOH A 221 -33.941 10.018 7.247 1.00 17.36 O +HETATM 1167 O HOH A 222 -17.098 13.957 -5.819 1.00 20.47 O +HETATM 1168 O HOH A 223 -23.680 -8.962 -5.180 1.00 14.88 O +HETATM 1169 O HOH A 224 -30.119 -1.781 -9.809 1.00 34.90 O +HETATM 1170 O HOH A 225 -23.273 16.008 5.184 1.00 34.99 O +HETATM 1171 O HOH A 226 -33.180 3.900 10.945 1.00 17.52 O +HETATM 1172 O HOH A 227 -12.097 2.070 13.883 1.00 22.16 O +HETATM 1173 O HOH A 228 -37.537 -1.524 -0.294 1.00 17.70 O +HETATM 1174 O HOH A 229 -38.887 1.247 3.682 1.00 14.86 O +HETATM 1175 O HOH A 230 -38.424 -0.127 8.282 1.00 16.19 O +HETATM 1176 O HOH A 231 -8.779 -10.145 -15.363 1.00 24.26 O +HETATM 1177 O HOH A 232 -12.399 -10.557 -16.795 1.00 21.39 O +HETATM 1178 O HOH A 233 -11.233 -13.808 -15.943 1.00 21.26 O +HETATM 1179 O HOH A 234 -39.236 -0.799 5.756 1.00 17.62 O +HETATM 1180 O HOH A 235 -10.498 6.698 5.313 1.00 11.52 O +HETATM 1181 O HOH A 236 -9.238 4.743 7.639 1.00 20.34 O +HETATM 1182 O HOH A 237 -10.825 7.349 10.719 1.00 26.41 O +HETATM 1183 O HOH A 238 -15.018 14.440 8.039 1.00 24.55 O +HETATM 1184 O HOH A 239 -18.013 11.986 13.477 1.00 31.68 O +HETATM 1185 O HOH A 240 -11.114 9.614 6.442 1.00 29.91 O +HETATM 1186 O HOH A 241 -22.838 12.293 -9.855 1.00 35.00 O +HETATM 1187 O HOH A 242 -17.263 -8.126 10.552 1.00 22.73 O +HETATM 1188 O HOH A 243 -22.212 -6.099 15.512 1.00 27.34 O +HETATM 1189 O HOH A 244 -17.644 -5.859 14.145 1.00 30.92 O +HETATM 1190 O HOH A 245 -17.588 -5.786 11.525 1.00 26.04 O +HETATM 1191 O HOH A 246 -11.954 -6.208 14.700 1.00 20.55 O +HETATM 1192 O HOH A 247 -28.825 9.068 -11.111 1.00 25.38 O +HETATM 1193 O HOH A 248 -24.778 11.340 -15.487 1.00 34.09 O +CONECT 48 1009 +CONECT 238 906 +CONECT 466 1080 +CONECT 519 1080 +CONECT 521 638 +CONECT 576 1080 +CONECT 580 1080 +CONECT 609 741 +CONECT 638 521 +CONECT 741 609 +CONECT 906 238 +CONECT 1009 48 +CONECT 1080 466 519 576 580 +CONECT 1080 1102 1111 +CONECT 1102 1080 +CONECT 1111 1080 +MASTER 294 0 6 8 3 0 7 6 1192 1 16 10 +END |