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 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 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