SUMMARY OF PM7 CALCULATION, Site No: 9705 MOPAC2012 (Version: 12.132M) Tue May 22 13:30:33 2012 No. of days left = 90 Empirical Formula: C797 H1818 N214 O510 S3 Cr P6 = 3349 atoms SETUP GNORM=5 PDBOUT PL MOZYME NOOPT OPT-H Metalloprotein_(1J3F) HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -31191.61959 KCAL/MOL = -130505.73637 KJ/MOL TOTAL ENERGY = -314966.64251 EV ELECTRONIC ENERGY = -36182910.78872 EV CORE-CORE REPULSION = 35867944.14621 EV GRADIENT NORM = 6.97855 DIPOLE = 283.48880 DEBYE NO. OF FILLED LEVELS = 4595 MOLECULAR WEIGHT = 22896.276 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 3340 H 3309 51.82294 H 3336 H 3339 46.53421 H 2996 H 3241 42.21047 SCF CALCULATIONS = 93 COMPUTATION TIME = 5 HOURS 52 MINUTES AND 37.292 SECONDS FINAL GEOMETRY OBTAINED CHARGE *HEADER OXYGEN STORAGE/TRANSPORT 24-JAN-03 1J3F *TITLE CRYSTAL STRUCTURE OF AN ARTIFICIAL METALLOPROTEIN:CR(III)(3, *TITLE 2 3'-ME2-SALOPHEN)/APO-A71G MYOGLOBIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MYOGLOBIN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; *SOURCE 3 ORGANISM_COMMON: SPERM WHALE; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 7 EXPRESSION_SYSTEM_PLASMID: TB-1 *KEYWDS MYOGLOBIN, ASYMMETRIC CATALYSIS, CRYSTAL, SCHIFF BASES, *KEYWDS 2 CHROMIUM *EXPDTA X-RAY DIFFRACTION *AUTHOR T.KOSHIYAMA,M.KONO,M.OHASHI,T.UENO,A.SUZUKI,T.YAMANE, *AUTHOR 2 Y.WATANABE *REVDAT 2 17-MAY-05 1J3F 1 JRNL *REVDAT 1 18-MAY-04 1J3F 0 *JRNL AUTH T.UENO,T.KOSHIYAMA,M.OHASHI,K.KONDO,M.KONO, *JRNL AUTH 2 A.SUZUKI,T.YAMANE,Y.WATANABE *JRNL TITL COORDINATED DESIGN OF COFACTOR AND ACTIVE SITE *JRNL TITL 2 STRUCTURES IN DEVELOPMENT OF NEW PROTEIN CATALYSTS *JRNL REF J.AM.CHEM.SOC. V. 127 6556 2005 *JRNL REFN ASTM JACSAT US ISSN 0002-7863 *REMARK 1 *REMARK 1 REFERENCE 1 *REMARK 1 AUTH T.UENO,M.OHASHI,M.KONO,K.KONDO,A.SUZUKI,T.YAMANE, *REMARK 1 AUTH 2 Y.WATANABE *REMARK 1 TITL CRYSTAL STRUCTURES OF ARTIFICIAL METALLOPROTEINS: *REMARK 1 TITL 2 TIGHT BINDING OF FE(III)(SCHIFF-BASE) BY MUTATION *REMARK 1 TITL 3 OF ALA71 TO GLY IN APO-MYOGLOBIN. *REMARK 1 REF INORG.CHEM. V. 43 2852 2004 *REMARK 1 REFN ASTM INOCAJ US ISSN 0020-1669 *REMARK 2 *REMARK 2 RESOLUTION. 1.45 ANGSTROMS. *REMARK 3 *REMARK 3 REFINEMENT. *REMARK 3 PROGRAM : CNS 1.0 *REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- *REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, *REMARK 3 : READ,RICE,SIMONSON,WARREN *REMARK 3 *REMARK 3 REFINEMENT TARGET : ENGH & HUBER *REMARK 3 *REMARK 3 DATA USED IN REFINEMENT. *REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.45 *REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.26 *REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000 *REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1798486.430 *REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 *REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 95.6 *REMARK 3 NUMBER OF REFLECTIONS : 25855 *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 SET) : 0.194 *REMARK 3 FREE R VALUE : 0.219 *REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 *REMARK 3 FREE R VALUE TEST SET COUNT : 1251 *REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 *REMARK 3 *REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. *REMARK 3 TOTAL NUMBER OF BINS USED : NULL *REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL *REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL *REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL *REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL *REMARK 3 BIN R VALUE (WORKING SET) : NULL *REMARK 3 BIN FREE R VALUE : NULL *REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL *REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL *REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL *REMARK 3 *REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. *REMARK 3 PROTEIN ATOMS : 1205 *REMARK 3 NUCLEIC ACID ATOMS : 0 *REMARK 3 HETEROGEN ATOMS : 57 *REMARK 3 SOLVENT ATOMS : 269 *REMARK 3 *REMARK 3 B VALUES. *REMARK 3 FROM WILSON PLOT (A**2) : 18.30 *REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL *REMARK 3 OVERALL ANISOTROPIC B VALUE. *REMARK 3 B11 (A**2) : NULL *REMARK 3 B22 (A**2) : NULL *REMARK 3 B33 (A**2) : NULL *REMARK 3 B12 (A**2) : NULL *REMARK 3 B13 (A**2) : NULL *REMARK 3 B23 (A**2) : NULL *REMARK 3 *REMARK 3 ESTIMATED COORDINATE ERROR. *REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.17 *REMARK 3 ESD FROM SIGMAA (A) : 0.11 *REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 *REMARK 3 *REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. *REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL *REMARK 3 ESD FROM C-V SIGMAA (A) : NULL *REMARK 3 *REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. *REMARK 3 BOND LENGTHS (A) : 0.004 *REMARK 3 BOND ANGLES (DEGREES) : 1.80 *REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL *REMARK 3 IMPROPER ANGLES (DEGREES) : NULL *REMARK 3 *REMARK 3 ISOTROPIC THERMAL MODEL : NULL *REMARK 3 *REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA *REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL *REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL *REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL *REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL *REMARK 3 *REMARK 3 BULK SOLVENT MODELING. *REMARK 3 METHOD USED : NULL *REMARK 3 KSOL : NULL *REMARK 3 BSOL : NULL *REMARK 3 *REMARK 3 NCS MODEL : NULL *REMARK 3 *REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT *REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL *REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL *REMARK 3 *REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM *REMARK 3 PARAMETER FILE 2 : ION.PARAM *REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM *REMARK 3 PARAMETER FILE 4 : DNA-RNA_REP.PARAM *REMARK 3 PARAMETER FILE 5 : CZM.PARAM *REMARK 3 PARAMETER FILE 6 : NULL *REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP *REMARK 3 TOPOLOGY FILE 2 : WATER.TOP *REMARK 3 TOPOLOGY FILE 3 : ION.TOP *REMARK 3 TOPOLOGY FILE 4 : PROTEIN_BREAK.TOP *REMARK 3 TOPOLOGY FILE 5 : CZM.TOP *REMARK 3 TOPOLOGY FILE 6 : NULL *REMARK 3 *REMARK 3 OTHER REFINEMENT REMARKS: NULL *REMARK 4 *REMARK 4 1J3F COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 *REMARK 4 *REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. *REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) *REMARK 100 *REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ . *REMARK 100 THE RCSB ID CODE IS RCSB005581. *REMARK 200 *REMARK 200 EXPERIMENTAL DETAILS *REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION *REMARK 200 DATE OF DATA COLLECTION : 31-OCT-2002 *REMARK 200 TEMPERATURE (KELVIN) : 100.0 *REMARK 200 PH : 6.80 *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 FR-E *REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M *REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 *REMARK 200 MONOCHROMATOR : CONFOCAL MIRRORS *REMARK 200 OPTICS : NULL *REMARK 200 *REMARK 200 DETECTOR TYPE : IMAGE PLATE *REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS VII *REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO *REMARK 200 DATA SCALING SOFTWARE : SCALEPACK *REMARK 200 *REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 26426 *REMARK 200 RESOLUTION RANGE HIGH (A) : 1.450 *REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 *REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.500 *REMARK 200 *REMARK 200 OVERALL. *REMARK 200 COMPLETENESS FOR RANGE (%) : 97.1 *REMARK 200 DATA REDUNDANCY : NULL *REMARK 200 R MERGE (I) : 0.09300 *REMARK 200 R SYM (I) : NULL *REMARK 200 FOR THE DATA SET : 40.6000 *REMARK 200 *REMARK 200 IN THE HIGHEST RESOLUTION SHELL. *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.45 *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.50 *REMARK 200 COMPLETENESS FOR SHELL (%) : 90.0 *REMARK 200 DATA REDUNDANCY IN SHELL : NULL *REMARK 200 R MERGE FOR SHELL (I) : 0.26000 *REMARK 200 R SYM FOR SHELL (I) : NULL *REMARK 200 FOR SHELL : 9.900 *REMARK 200 *REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH *REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS *REMARK 200 SOFTWARE USED: CNS *REMARK 200 STARTING MODEL: PDB ENTRY 1BVC *REMARK 200 *REMARK 200 REMARK: NULL *REMARK 280 *REMARK 280 CRYSTAL *REMARK 280 SOLVENT CONTENT, VS (%): 28.08 *REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.72 *REMARK 280 *REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM, POTASSIUM PHOSPHATE, PH *REMARK 280 6.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY *REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 *REMARK 290 *REMARK 290 SYMOP SYMMETRY *REMARK 290 NNNMMM OPERATOR *REMARK 290 1555 X,Y,Z *REMARK 290 2555 1/2-X,-Y,1/2+Z *REMARK 290 3555 -X,1/2+Y,1/2-Z *REMARK 290 4555 1/2+X,1/2-Y,-Z *REMARK 290 *REMARK 290 WHERE NNN -> OPERATOR NUMBER *REMARK 290 MMM -> TRANSLATION VECTOR *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS *REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM *REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY *REMARK 290 RELATED MOLECULES. *REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 *REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 16.48600 *REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 38.11850 *REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.39350 *REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 38.11850 *REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 16.48600 *REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.39350 *REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 *REMARK 290 *REMARK 290 REMARK: NULL *REMARK 300 *REMARK 300 BIOMOLECULE: 1 *REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT *REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR *REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). *REMARK 350 *REMARK 350 GENERATING THE BIOMOLECULE *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 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 465 *REMARK 465 MISSING RESIDUES *REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE *REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN *REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) *REMARK 465 *REMARK 465 M RES C SSSEQI *REMARK 465 LYS A 96 *REMARK 465 HIS A 97 *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT *REMARK 500 *REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. *REMARK 500 *REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI *REMARK 500 O HOH 404 O HOH 408 1.58 *REMARK 500 CR CR A 190 O HOH 203 2.00 *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS *REMARK 500 *REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES *REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE *REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN *REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). *REMARK 500 *REMARK 500 STANDARD TABLE: *REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) *REMARK 500 *REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 *REMARK 500 *REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION *REMARK 500 LYS A 98 N LYS A 98 CA 0.033 *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: COVALENT BOND ANGLES *REMARK 500 *REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES *REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE *REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN *REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). *REMARK 500 *REMARK 500 STANDARD TABLE: *REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) *REMARK 500 *REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 *REMARK 500 *REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 *REMARK 500 HIS A 82 N - CA - C ANGL. DEV. = 7.2 DEGREES *REMARK 500 ALA A 94 N - CA - C ANGL. DEV. = 6.6 DEGREES *DBREF 1J3F A 1 153 UNP P02185 MYG_PHYCA 1 153 *SEQADV 1J3F MET A 0 UNP P02185 INITIATING MET *SEQADV 1J3F GLY A 71 UNP P02185 ALA 71 ENGINEERED *SEQRES 1 A 154 MET VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS *SEQRES 2 A 154 VAL TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY *SEQRES 3 A 154 GLN ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU *SEQRES 4 A 154 THR LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR *SEQRES 5 A 154 GLU ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS HIS *SEQRES 6 A 154 GLY VAL THR VAL LEU THR GLY LEU GLY ALA ILE LEU LYS *SEQRES 7 A 154 LYS LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA *SEQRES 8 A 154 GLN SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR *SEQRES 9 A 154 LEU GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS *SEQRES 10 A 154 SER ARG HIS PRO GLY ASP PHE GLY ALA ASP ALA GLN GLY *SEQRES 11 A 154 ALA MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE *SEQRES 12 A 154 ALA ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY *HET CR A 190 1 *HET PO4 155 5 *HET PO4 156 5 *HET PO4 157 5 *HET PO4 158 5 *HET PO4 159 5 *HET PO4 160 5 *HET CZM A 180 26 *HETNAM CR CHROMIUM ION *HETNAM PO4 PHOSPHATE ION *HETNAM CZM 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1, *HETNAM 2 CZM 2-DIAMINE' *HETSYN CZM 3,3'-ME2-SALOPHEN *FORMUL 2 CR CR 3+ *FORMUL 3 PO4 6(O4 P 3-) *FORMUL 9 CZM C22 H20 N2 O2 *FORMUL 10 HOH *269(H2 O) *HELIX 1 1 SER A 3 GLU A 18 1 16 *HELIX 2 2 ASP A 20 HIS A 36 1 17 *HELIX 3 3 PRO A 37 PHE A 43 5 7 *HELIX 4 4 THR A 51 SER A 58 1 8 *HELIX 5 5 SER A 58 LYS A 78 1 21 *HELIX 6 6 HIS A 82 THR A 95 1 14 *HELIX 7 7 PRO A 100 HIS A 119 1 20 *HELIX 8 8 GLY A 124 LEU A 149 1 26 *LINK CR CR A 190 NE2 HIS A 93 *LINK CR CR A 190 OA CZM A 180 *LINK CR CR A 190 NA CZM A 180 *LINK CR CR A 190 NB CZM A 180 *LINK CR CR A 190 OB CZM A 180 *CRYST1 32.972 58.787 76.237 90.00 90.00 90.00 P 21 21 21 4 *ORIGX1 1.000000 0.000000 0.000000 0.00000 *ORIGX2 0.000000 1.000000 0.000000 0.00000 *ORIGX3 0.000000 0.000000 1.000000 0.00000 *SCALE1 0.030329 0.000000 0.000000 0.00000 *SCALE2 0.000000 0.017011 0.000000 0.00000 *SCALE3 0.000000 0.000000 0.013117 0.00000 SETUP GNORM=5 PDBOUT PL MOZYME NOOPT OPT-H Metalloprotein_(1J3F) N( 1 MET* 1) 0.00000000 +0 0.00000000 +0 0.00000000 +0 -0.6398 C( 2 MET* 1) 1.19200000 +0 -0.70900100 +0 0.54600000 +0 -0.0313 C( 3 MET* 1) 2.32200000 +0 0.27000000 +0 0.85000000 +0 0.5996 O( 4 MET* 1) 2.59800000 +0 1.17900000 +0 0.06500100 +0 -0.6589 C( 5 MET 1) 1.67700000 +0 -1.76100000 +0 -0.45700100 +0 -0.3146 C( 6 MET 1) 2.91400000 +0 -2.53000000 +0 -0.01300000 +0 -0.3383 S( 7 MET 1) 2.66100000 +0 -3.43900000 +0 1.52300100 +0 -0.0133 C( 8 MET 1) 1.87300000 +0 -4.92500000 +0 0.91000000 +0 -0.5117 N( 9 VAL* 2) 2.97200000 +0 0.08100000 +0 1.99399900 +0 -0.5351 C( 10 VAL* 2) 4.07700000 +0 0.94400000 +0 2.38999900 +0 -0.0257 C( 11 VAL* 2) 5.19100000 +0 0.16800000 +0 3.08700000 +0 0.5810 O( 12 VAL* 2) 4.94100000 +0 -0.62300000 +0 3.99700000 +0 -0.6231 C( 13 VAL 2) 3.59000000 +0 2.07900000 +0 3.32900000 +0 -0.0761 C( 14 VAL 2) 2.93600000 +0 1.49000100 +0 4.56800100 +0 -0.4670 C( 15 VAL 2) 4.75800000 +0 2.97300100 +0 3.71299900 +0 -0.4726 N( 16 LEU* 3) 6.42400000 +0 0.38400000 +0 2.63800000 +0 -0.5390 C( 17 LEU* 3) 7.58100000 +0 -0.26900000 +0 3.23900000 +0 -0.0065 C( 18 LEU* 3) 8.41900000 +0 0.77300000 +0 3.96600000 +0 0.5580 O( 19 LEU* 3) 8.53700000 +0 1.91000100 +0 3.51000000 +0 -0.5969 C( 20 LEU 3) 8.46100000 +0 -0.94000100 +0 2.17799900 +0 -0.3284 C( 21 LEU 3) 8.02500000 +0 -2.23400000 +0 1.48900000 +0 -0.0343 C( 22 LEU 3) 6.92500000 +0 -1.95400000 +0 0.48300000 +0 -0.4494 C( 23 LEU 3) 9.23200000 +0 -2.83400100 +0 0.78599900 +0 -0.4739 N( 24 SER* 4) 8.99800000 +0 0.38600000 +0 5.09700000 +0 -0.5323 C( 25 SER* 4) 9.85300000 +0 1.29200100 +0 5.85199900 +0 -0.0110 C( 26 SER* 4) 11.18300100 +0 1.35800100 +0 5.10300100 +0 0.5789 O( 27 SER* 4) 11.45700000 +0 0.50900000 +0 4.25400000 +0 -0.6123 C( 28 SER 4) 10.09000000 +0 0.74800000 +0 7.26000000 +0 -0.0148 O( 29 SER 4) 10.82500000 +0 -0.46400000 +0 7.20599900 +0 -0.6290 N( 30 GLU* 5) 12.00600100 +0 2.35900000 +0 5.40200000 +0 -0.5681 C( 31 GLU* 5) 13.30000000 +0 2.47600100 +0 4.73900000 +0 0.0136 C( 32 GLU* 5) 14.09000000 +0 1.20200100 +0 5.02700000 +0 0.5744 O( 33 GLU* 5) 14.79700100 +0 0.69100000 +0 4.16099900 +0 -0.6177 C( 34 GLU 5) 14.05100100 +0 3.71400000 +0 5.25099900 +0 -0.2706 C( 35 GLU 5) 15.50700000 +0 3.87000000 +0 4.78800000 +0 -0.3974 C( 36 GLU 5) 15.69000100 +0 3.88899900 +0 3.27400000 +0 0.7268 O( 37 GLU 5) 14.77000000 +0 4.32000100 +0 2.54800000 +0 -0.5832 O( 38 GLU 5) 16.77899900 +0 3.48800000 +0 2.81100100 +0 -0.5545 N( 39 GLY* 6) 13.94500000 +0 0.68300000 +0 6.24399900 +0 -0.5497 C( 40 GLY* 6) 14.64600000 +0 -0.53200100 +0 6.62100000 +0 -0.1710 C( 41 GLY* 6) 14.22700000 +0 -1.70900100 +0 5.76300000 +0 0.5850 O( 42 GLY* 6) 15.06200000 +0 -2.51900000 +0 5.35600100 +0 -0.6589 N( 43 GLU* 7) 12.93200000 +0 -1.81800000 +0 5.49300000 +0 -0.5432 C( 44 GLU* 7) 12.43499900 +0 -2.90600000 +0 4.66000000 +0 -0.0058 C( 45 GLU* 7) 12.96600000 +0 -2.75100000 +0 3.23800100 +0 0.5571 O( 46 GLU* 7) 13.34900000 +0 -3.73500100 +0 2.60700000 +0 -0.6326 C( 47 GLU 7) 10.90500100 +0 -2.93400000 +0 4.66099900 +0 -0.2681 C( 48 GLU 7) 10.30999900 +0 -3.33600000 +0 6.00300000 +0 -0.3999 C( 49 GLU 7) 8.79500000 +0 -3.30800100 +0 6.00499900 +0 0.7033 O( 50 GLU 7) 8.21800000 +0 -2.28600000 +0 5.58300000 +0 -0.5785 O( 51 GLU 7) 8.18100000 +0 -4.30600000 +0 6.43600100 +0 -0.5267 N( 52 TRP* 8) 12.99200100 +0 -1.52000000 +0 2.72800100 +0 -0.5332 C( 53 TRP* 8) 13.51800000 +0 -1.29300000 +0 1.38600000 +0 0.0149 C( 54 TRP* 8) 14.98600000 +0 -1.69300000 +0 1.32399900 +0 0.5756 O( 55 TRP* 8) 15.44800000 +0 -2.21000000 +0 0.31200000 +0 -0.6387 C( 56 TRP 8) 13.36600000 +0 0.17600000 +0 0.96999900 +0 -0.2605 C( 57 TRP 8) 12.00200000 +0 0.50799900 +0 0.45599900 +0 -0.1209 C( 58 TRP 8) 11.11000100 +0 1.39300100 +0 0.99500100 +0 -0.0159 C( 59 TRP 8) 11.36400000 +0 -0.05200000 +0 -0.69800000 +0 -0.0797 N( 60 TRP 8) 9.95700000 +0 1.41800000 +0 0.24700000 +0 -0.3780 C( 61 TRP 8) 10.08600000 +0 0.54099900 +0 -0.79800000 +0 0.0650 C( 62 TRP 8) 11.74900100 +0 -0.99700000 +0 -1.65900000 +0 -0.1022 C( 63 TRP 8) 9.18499900 +0 0.21400000 +0 -1.81900000 +0 -0.2428 C( 64 TRP 8) 10.85300100 +0 -1.32200100 +0 -2.67400000 +0 -0.1958 C( 65 TRP 8) 9.58800000 +0 -0.71500000 +0 -2.74600000 +0 -0.1036 N( 66 GLN* 9) 15.72500000 +0 -1.46000000 +0 2.40200000 +0 -0.5474 C( 67 GLN* 9) 17.13200000 +0 -1.82800000 +0 2.40800100 +0 -0.0097 C( 68 GLN* 9) 17.31500100 +0 -3.34100100 +0 2.39600000 +0 0.5724 O( 69 GLN* 9) 18.29200000 +0 -3.84100100 +0 1.84499900 +0 -0.6498 C( 70 GLN 9) 17.85199900 +0 -1.20100000 +0 3.60100000 +0 -0.2729 C( 71 GLN 9) 18.10700000 +0 0.28900000 +0 3.42000000 +0 -0.3651 C( 72 GLN 9) 18.73000000 +0 0.61300000 +0 2.07000000 +0 0.6074 O( 73 GLN 9) 19.69300100 +0 -0.02900000 +0 1.64699900 +0 -0.6336 N( 74 GLN 9) 18.18499900 +0 1.61700000 +0 1.38999900 +0 -0.6240 N( 75 LEU* 10) 16.38200000 +0 -4.07700100 +0 2.99399900 +0 -0.5480 C( 76 LEU* 10) 16.48700000 +0 -5.53400000 +0 2.96900000 +0 0.0137 C( 77 LEU* 10) 16.30500000 +0 -5.98300000 +0 1.52199900 +0 0.5422 O( 78 LEU* 10) 16.98500100 +0 -6.89300000 +0 1.04900000 +0 -0.5588 C( 79 LEU 10) 15.41300000 +0 -6.18700000 +0 3.84100000 +0 -0.3267 C( 80 LEU 10) 15.49900100 +0 -6.01800100 +0 5.36000100 +0 -0.0596 C( 81 LEU 10) 14.27100000 +0 -6.65300000 +0 5.99900100 +0 -0.4604 C( 82 LEU 10) 16.78100000 +0 -6.65200000 +0 5.89399900 +0 -0.4640 N( 83 VAL* 11) 15.38500000 +0 -5.33200000 +0 0.82099900 +0 -0.5647 C( 84 VAL* 11) 15.11200000 +0 -5.65600000 +0 -0.57099900 +0 -0.0197 C( 85 VAL* 11) 16.31900000 +0 -5.34700000 +0 -1.44800000 +0 0.5762 O( 86 VAL* 11) 16.74399900 +0 -6.17600100 +0 -2.25000000 +0 -0.6521 C( 87 VAL 11) 13.88600000 +0 -4.86000100 +0 -1.08700000 +0 -0.0859 C( 88 VAL 11) 13.77300100 +0 -4.97200000 +0 -2.60300100 +0 -0.4555 C( 89 VAL 11) 12.62200000 +0 -5.38600000 +0 -0.42499900 +0 -0.4600 N( 90 LEU* 12) 16.87800000 +0 -4.15300000 +0 -1.28900000 +0 -0.5444 C( 91 LEU* 12) 18.01899900 +0 -3.74900100 +0 -2.09600100 +0 -0.0070 C( 92 LEU* 12) 19.29900000 +0 -4.50700000 +0 -1.75400000 +0 0.5754 O( 93 LEU* 12) 20.15800100 +0 -4.69900000 +0 -2.61700100 +0 -0.6507 C( 94 LEU 12) 18.23300000 +0 -2.23800000 +0 -1.97399900 +0 -0.3178 C( 95 LEU 12) 17.02500000 +0 -1.41400100 +0 -2.44000100 +0 -0.0476 C( 96 LEU 12) 17.32000000 +0 0.06500000 +0 -2.27500000 +0 -0.4556 C( 97 LEU 12) 16.69800000 +0 -1.74100000 +0 -3.89300000 +0 -0.4605 N( 98 HIS* 13) 19.42300000 +0 -4.94700100 +0 -0.50400000 +0 -0.5365 C( 99 HIS* 13) 20.60400000 +0 -5.69700100 +0 -0.09199900 +0 0.0123 C( 100 HIS* 13) 20.61700100 +0 -7.05100000 +0 -0.79700100 +0 0.5879 O( 101 HIS* 13) 21.66099900 +0 -7.49100000 +0 -1.29000100 +0 -0.6695 C( 102 HIS 13) 20.61599900 +0 -5.88400000 +0 1.43100000 +0 -0.2875 C( 103 HIS 13) 21.80400100 +0 -6.64400000 +0 1.94199900 +0 0.0685 N( 104 HIS 13) 21.87700100 +0 -8.01700000 +0 1.92000000 +0 -0.4878 C( 105 HIS 13) 22.97000100 +0 -6.21200000 +0 2.48500100 +0 -0.1893 C( 106 HIS 13) 23.03400000 +0 -8.40500100 +0 2.42799900 +0 0.0777 N( 107 HIS 13) 23.71400100 +0 -7.32900000 +0 2.77700000 +0 -0.2449 N( 108 VAL* 14) 19.46900000 +0 -7.71700000 +0 -0.86100000 +0 -0.5301 C( 109 VAL* 14) 19.43600100 +0 -9.00300000 +0 -1.53800000 +0 -0.0136 C( 110 VAL* 14) 19.51700000 +0 -8.79100000 +0 -3.04900000 +0 0.5840 O( 111 VAL* 14) 20.07799900 +0 -9.61800000 +0 -3.76499900 +0 -0.6801 C( 112 VAL 14) 18.16700000 +0 -9.82600000 +0 -1.19100000 +0 -0.0642 C( 113 VAL 14) 16.94400000 +0 -9.22000000 +0 -1.84499900 +0 -0.4799 C( 114 VAL 14) 18.35400000 +0 -11.27200000 +0 -1.63500000 +0 -0.4665 N( 115 TRP* 15) 18.98000000 +0 -7.67800000 +0 -3.54600000 +0 -0.5441 C( 116 TRP* 15) 19.04700100 +0 -7.44700000 +0 -4.98200000 +0 -0.0070 C( 117 TRP* 15) 20.48100100 +0 -7.21800000 +0 -5.44400000 +0 0.5827 O( 118 TRP* 15) 20.82000000 +0 -7.51700000 +0 -6.58900000 +0 -0.6644 C( 119 TRP 15) 18.15800100 +0 -6.27400000 +0 -5.41000000 +0 -0.2595 C( 120 TRP 15) 17.74099900 +0 -6.42600100 +0 -6.83700000 +0 -0.1330 C( 121 TRP 15) 18.30200000 +0 -5.83100000 +0 -7.93700000 +0 -0.0201 C( 122 TRP 15) 16.75200100 +0 -7.33400000 +0 -7.33300000 +0 -0.0908 N( 123 TRP 15) 17.72400100 +0 -6.32100000 +0 -9.08400000 +0 -0.3438 C( 124 TRP 15) 16.77100000 +0 -7.24400000 +0 -8.74300000 +0 0.0947 C( 125 TRP 15) 15.85500000 +0 -8.21800000 +0 -6.72000000 +0 -0.1239 C( 126 TRP 15) 15.92100000 +0 -8.01200000 +0 -9.55100000 +0 -0.2006 C( 127 TRP 15) 15.01199900 +0 -8.98100000 +0 -7.52100000 +0 -0.2021 C( 128 TRP 15) 15.05200000 +0 -8.87200000 +0 -8.92300000 +0 -0.1461 N( 129 ALA* 16) 21.32500100 +0 -6.69300000 +0 -4.56100100 +0 -0.5507 C( 130 ALA* 16) 22.72500000 +0 -6.47300100 +0 -4.90900000 +0 0.0411 C( 131 ALA* 16) 23.36600100 +0 -7.83000000 +0 -5.20800000 +0 0.5725 O( 132 ALA* 16) 24.25600100 +0 -7.93800000 +0 -6.05200000 +0 -0.6553 C( 133 ALA 16) 23.45500000 +0 -5.78500000 +0 -3.75900100 +0 -0.4722 N( 134 LYS* 17) 22.90300000 +0 -8.86700100 +0 -4.51800000 +0 -0.5457 C( 135 LYS* 17) 23.42400000 +0 -10.21100000 +0 -4.73700000 +0 0.0021 C( 136 LYS* 17) 22.91400000 +0 -10.74200100 +0 -6.07700000 +0 0.5603 O( 137 LYS* 17) 23.64100100 +0 -11.41600000 +0 -6.80800000 +0 -0.6613 C( 138 LYS 17) 23.00800100 +0 -11.13100100 +0 -3.58700000 +0 -0.3044 C( 139 LYS 17) 23.57400100 +0 -10.69300100 +0 -2.23600000 +0 -0.2711 C( 140 LYS 17) 23.16800100 +0 -11.64000000 +0 -1.12000100 +0 -0.3000 C( 141 LYS 17) 23.70400000 +0 -11.16900100 +0 0.22400100 +0 -0.1562 N( 142 LYS 17) 25.19300100 +0 -11.16600000 +0 0.27199900 +0 -0.2778 N( 143 VAL* 18) 21.66099900 +0 -10.43800000 +0 -6.40100000 +0 -0.5328 C( 144 VAL* 18) 21.09100000 +0 -10.85500000 +0 -7.67400000 +0 -0.0180 C( 145 VAL* 18) 21.93600100 +0 -10.24500100 +0 -8.79400000 +0 0.5653 O( 146 VAL* 18) 22.23200000 +0 -10.89500000 +0 -9.80200000 +0 -0.6159 C( 147 VAL 18) 19.63299900 +0 -10.35100000 +0 -7.82500000 +0 -0.0888 C( 148 VAL 18) 19.12100000 +0 -10.62100000 +0 -9.23300000 +0 -0.4541 C( 149 VAL 18) 18.74799900 +0 -11.02900000 +0 -6.79800000 +0 -0.4745 N( 150 GLU* 19) 22.33499900 +0 -8.99200100 +0 -8.59800000 +0 -0.5540 C( 151 GLU* 19) 23.12200000 +0 -8.28000100 +0 -9.59200000 +0 0.0057 C( 152 GLU* 19) 24.51000000 +0 -8.85300100 +0 -9.85300000 +0 0.5766 O( 153 GLU* 19) 25.15300000 +0 -8.48900000 +0 -10.83600000 +0 -0.6560 C( 154 GLU 19) 23.20700100 +0 -6.79900000 +0 -9.21500000 +0 -0.2957 C( 155 GLU 19) 21.88999900 +0 -6.08000000 +0 -9.45200000 +0 -0.3964 C( 156 GLU 19) 21.95400000 +0 -4.59500000 +0 -9.16900000 +0 0.7051 O( 157 GLU 19) 20.98300000 +0 -3.89300100 +0 -9.52100000 +0 -0.5931 O( 158 GLU 19) 22.96100000 +0 -4.13100100 +0 -8.59400000 +0 -0.5166 N( 159 ALA* 20) 24.97200000 +0 -9.75000000 +0 -8.98500000 +0 -0.5301 C( 160 ALA* 20) 26.27900100 +0 -10.37100000 +0 -9.18800000 +0 0.0216 C( 161 ALA* 20) 26.18200100 +0 -11.46700000 +0 -10.25600000 +0 0.5354 O( 162 ALA* 20) 27.19600100 +0 -11.89400000 +0 -10.80700000 +0 -0.5596 C( 163 ALA 20) 26.80200000 +0 -10.95600000 +0 -7.88000000 +0 -0.4689 N( 164 ASP* 21) 24.96500000 +0 -11.92700000 +0 -10.53600000 +0 -0.5695 C( 165 ASP* 21) 24.73900000 +0 -12.95500000 +0 -11.55500000 +0 0.0419 C( 166 ASP* 21) 23.31100100 +0 -12.82000000 +0 -12.07600000 +0 0.5902 O( 167 ASP* 21) 22.45700100 +0 -13.68200000 +0 -11.85600000 +0 -0.6604 C( 168 ASP 21) 24.97500000 +0 -14.35700000 +0 -10.97200000 +0 -0.4057 C( 169 ASP 21) 24.68000000 +0 -15.47200000 +0 -11.97300000 +0 0.8016 O( 170 ASP 21) 24.73900000 +0 -15.22300100 +0 -13.19500000 +0 -0.8159 O( 171 ASP 21) 24.39800100 +0 -16.60899900 +0 -11.53100000 +0 -0.8152 N( 172 VAL* 22) 23.06400100 +0 -11.72400000 +0 -12.78200000 +0 -0.5497 C( 173 VAL* 22) 21.74000000 +0 -11.44900000 +0 -13.32300000 +0 -0.0100 C( 174 VAL* 22) 21.24799900 +0 -12.54100000 +0 -14.27600000 +0 0.5791 O( 175 VAL* 22) 20.10899900 +0 -12.99800000 +0 -14.17100000 +0 -0.6439 C( 176 VAL 22) 21.71600000 +0 -10.08800000 +0 -14.05500000 +0 -0.0768 C( 177 VAL 22) 20.30999900 +0 -9.78300000 +0 -14.54500000 +0 -0.4696 C( 178 VAL 22) 22.20700100 +0 -8.98500100 +0 -13.12300000 +0 -0.4539 N( 179 ALA* 23) 22.09800000 +0 -12.96700000 +0 -15.20300000 +0 -0.5459 C( 180 ALA* 23) 21.70100000 +0 -13.99700000 +0 -16.15300000 +0 0.0213 C( 181 ALA* 23) 21.31500100 +0 -15.29700000 +0 -15.45700000 +0 0.5799 O( 182 ALA* 23) 20.30699900 +0 -15.91500000 +0 -15.80500000 +0 -0.6811 C( 183 ALA 23) 22.82200100 +0 -14.25000000 +0 -17.15399900 +0 -0.4757 N( 184 GLY* 24) 22.11500000 +0 -15.70800000 +0 -14.47500000 +0 -0.4985 C( 185 GLY* 24) 21.83499900 +0 -16.93800000 +0 -13.75400000 +0 -0.1752 C( 186 GLY* 24) 20.54400100 +0 -16.88400100 +0 -12.95900000 +0 0.6010 O( 187 GLY* 24) 19.74300000 +0 -17.82000000 +0 -13.00100000 +0 -0.6944 N( 188 HIS* 25) 20.33900100 +0 -15.79700000 +0 -12.21900000 +0 -0.5451 C( 189 HIS* 25) 19.11500000 +0 -15.65400000 +0 -11.43900000 +0 0.0206 C( 190 HIS* 25) 17.92200100 +0 -15.60700000 +0 -12.39900000 +0 0.5681 O( 191 HIS* 25) 16.86899900 +0 -16.17900100 +0 -12.11900000 +0 -0.6628 C( 192 HIS 25) 19.14800100 +0 -14.36900000 +0 -10.59900000 +0 -0.2733 C( 193 HIS 25) 20.07700000 +0 -14.43200000 +0 -9.42100000 +0 0.0533 N( 194 HIS 25) 19.63699900 +0 -14.63600000 +0 -8.13100000 +0 -0.4188 C( 195 HIS 25) 21.42200100 +0 -14.30000000 +0 -9.34500000 +0 -0.1170 C( 196 HIS 25) 20.67600100 +0 -14.62600000 +0 -7.30900000 +0 -0.0469 N( 197 HIS 25) 21.76800000 +0 -14.42500000 +0 -8.02200000 +0 -0.2822 N( 198 GLY* 26) 18.10199900 +0 -14.93200000 +0 -13.53300000 +0 -0.5185 C( 199 GLY* 26) 17.03599900 +0 -14.81500100 +0 -14.51700000 +0 -0.1644 C( 200 GLY* 26) 16.63600000 +0 -16.15500100 +0 -15.09800000 +0 0.5982 O( 201 GLY* 26) 15.45100000 +0 -16.43400000 +0 -15.29200000 +0 -0.6546 N( 202 GLN* 27) 17.63100100 +0 -16.98900000 +0 -15.38900000 +0 -0.5453 C( 203 GLN* 27) 17.36000100 +0 -18.31300000 +0 -15.93000000 +0 0.0130 C( 204 GLN* 27) 16.62000100 +0 -19.14699900 +0 -14.88800000 +0 0.5722 O( 205 GLN* 27) 15.63299900 +0 -19.80500000 +0 -15.19700100 +0 -0.6314 C( 206 GLN 27) 18.66200100 +0 -19.01300000 +0 -16.31800100 +0 -0.2788 C( 207 GLN 27) 19.34400000 +0 -18.43100000 +0 -17.54500000 +0 -0.3552 C( 208 GLN 27) 20.65600000 +0 -19.11899900 +0 -17.85900100 +0 0.6395 O( 209 GLN 27) 21.58200100 +0 -19.12200000 +0 -17.04200000 +0 -0.7189 N( 210 GLN 27) 20.75000000 +0 -19.70900000 +0 -19.04000100 +0 -0.6227 N( 211 ASP* 28) 17.09100000 +0 -19.10700000 +0 -13.64400000 +0 -0.5608 C( 212 ASP* 28) 16.45700100 +0 -19.87800000 +0 -12.57600000 +0 0.0146 C( 213 ASP* 28) 15.00900100 +0 -19.45100000 +0 -12.35200000 +0 0.5648 O( 214 ASP* 28) 14.12500000 +0 -20.28100000 +0 -12.15500000 +0 -0.6558 C( 215 ASP 28) 17.23300000 +0 -19.71400100 +0 -11.26300000 +0 -0.3690 C( 216 ASP 28) 18.57200100 +0 -20.43400000 +0 -11.26700000 +0 0.7293 O( 217 ASP 28) 19.31500100 +0 -20.29800000 +0 -10.26900000 +0 -0.7091 O( 218 ASP 28) 18.88400100 +0 -21.13500000 +0 -12.25200000 +0 -0.4803 N( 219 ILE* 29) 14.77100000 +0 -18.14699900 +0 -12.37800000 +0 -0.5205 C( 220 ILE* 29) 13.43499900 +0 -17.61800000 +0 -12.15500000 +0 -0.0368 C( 221 ILE* 29) 12.46000000 +0 -17.97600000 +0 -13.27700000 +0 0.5735 O( 222 ILE* 29) 11.34400000 +0 -18.42300000 +0 -13.01100000 +0 -0.6476 C( 223 ILE 29) 13.50400000 +0 -16.08500100 +0 -11.94000000 +0 -0.1019 C( 224 ILE 29) 14.11000100 +0 -15.80300000 +0 -10.56000000 +0 -0.2725 C( 225 ILE 29) 12.12200000 +0 -15.45800000 +0 -12.04900000 +0 -0.4513 C( 226 ILE 29) 14.53900000 +0 -14.36400000 +0 -10.34400000 +0 -0.4319 N( 227 LEU* 30) 12.87700000 +0 -17.79999900 +0 -14.52700000 +0 -0.5456 C( 228 LEU* 30) 12.00700000 +0 -18.12400100 +0 -15.65000000 +0 -0.0015 C( 229 LEU* 30) 11.77300100 +0 -19.62700100 +0 -15.75900000 +0 0.5608 O( 230 LEU* 30) 10.66200100 +0 -20.06200000 +0 -16.05400100 +0 -0.6218 C( 231 LEU 30) 12.58500000 +0 -17.58300000 +0 -16.96299900 +0 -0.3196 C( 232 LEU 30) 12.60000000 +0 -16.05299900 +0 -17.05900000 +0 -0.0458 C( 233 LEU 30) 13.08500000 +0 -15.62200000 +0 -18.43700000 +0 -0.4507 C( 234 LEU 30) 11.19600000 +0 -15.51200000 +0 -16.80800100 +0 -0.4592 N( 235 ILE* 31) 12.81300000 +0 -20.42300000 +0 -15.52500000 +0 -0.5602 C( 236 ILE* 31) 12.65000000 +0 -21.87400100 +0 -15.59200000 +0 -0.0150 C( 237 ILE* 31) 11.66000000 +0 -22.32500100 +0 -14.51400000 +0 0.5682 O( 238 ILE* 31) 10.79700000 +0 -23.16799900 +0 -14.76499900 +0 -0.6120 C( 239 ILE 31) 14.00400000 +0 -22.59800000 +0 -15.41600000 +0 -0.0958 C( 240 ILE 31) 14.88699900 +0 -22.30999900 +0 -16.63500000 +0 -0.2588 C( 241 ILE 31) 13.78400000 +0 -24.10200100 +0 -15.25099900 +0 -0.4483 C( 242 ILE 31) 16.28900000 +0 -22.87599900 +0 -16.54500000 +0 -0.4294 N( 243 ARG* 32) 11.77899900 +0 -21.75400000 +0 -13.31900000 +0 -0.5795 C( 244 ARG* 32) 10.86899900 +0 -22.08600000 +0 -12.22600000 +0 0.0193 C( 245 ARG* 32) 9.44300000 +0 -21.70999900 +0 -12.64200000 +0 0.5819 O( 246 ARG* 32) 8.49500000 +0 -22.47700100 +0 -12.44600000 +0 -0.6627 C( 247 ARG 32) 11.26200000 +0 -21.30600000 +0 -10.97000000 +0 -0.3029 C( 248 ARG 32) 10.28400000 +0 -21.42300000 +0 -9.81500000 +0 -0.2868 C( 249 ARG 32) 10.40100000 +0 -22.75500100 +0 -9.11000000 +0 -0.0677 N( 250 ARG 32) 9.49000000 +0 -22.82300000 +0 -7.97000000 +0 -0.5525 C( 251 ARG 32) 9.43400000 +0 -23.83900100 +0 -7.11900000 +0 0.6061 N( 252 ARG 32) 10.23900000 +0 -24.88200000 +0 -7.27200000 +0 -0.7089 N( 253 ARG 32) 8.56400000 +0 -23.81500100 +0 -6.11800000 +0 -0.8443 N( 254 LEU* 33) 9.30500000 +0 -20.52500000 +0 -13.22500000 +0 -0.5399 C( 255 LEU* 33) 8.00900000 +0 -20.03000100 +0 -13.68100000 +0 0.0096 C( 256 LEU* 33) 7.38200000 +0 -20.93300100 +0 -14.74200100 +0 0.5735 O( 257 LEU* 33) 6.21200000 +0 -21.31100100 +0 -14.63200000 +0 -0.6346 C( 258 LEU 33) 8.16200000 +0 -18.61500000 +0 -14.25200000 +0 -0.3312 C( 259 LEU 33) 6.93600000 +0 -18.01700000 +0 -14.95100000 +0 -0.0531 C( 260 LEU 33) 5.83000000 +0 -17.79400100 +0 -13.93600000 +0 -0.4521 C( 261 LEU 33) 7.30800000 +0 -16.70500000 +0 -15.63200000 +0 -0.4566 N( 262 PHE* 34) 8.15600000 +0 -21.27400000 +0 -15.76800000 +0 -0.5416 C( 263 PHE* 34) 7.65700000 +0 -22.10599900 +0 -16.85900100 +0 0.0024 C( 264 PHE* 34) 7.34000000 +0 -23.54100000 +0 -16.46100000 +0 0.5671 O( 265 PHE* 34) 6.40800000 +0 -24.13999900 +0 -17.00000000 +0 -0.6017 C( 266 PHE 34) 8.64700000 +0 -22.10500000 +0 -18.02899900 +0 -0.3099 C( 267 PHE 34) 8.91500000 +0 -20.73600000 +0 -18.60300100 +0 0.0260 C( 268 PHE 34) 7.90000000 +0 -19.78300100 +0 -18.68000000 +0 -0.1591 C( 269 PHE 34) 10.18000000 +0 -20.40300000 +0 -19.08300000 +0 -0.1538 C( 270 PHE 34) 8.14100000 +0 -18.52300100 +0 -19.23200000 +0 -0.1375 C( 271 PHE 34) 10.43000000 +0 -19.14900000 +0 -19.63900000 +0 -0.1741 C( 272 PHE 34) 9.41000000 +0 -18.20599900 +0 -19.70999900 +0 -0.1724 N( 273 LYS* 35) 8.10800000 +0 -24.08600000 +0 -15.52400000 +0 -0.5570 C( 274 LYS* 35) 7.88700000 +0 -25.45299900 +0 -15.05800100 +0 -0.0012 C( 275 LYS* 35) 6.69600000 +0 -25.51300000 +0 -14.10800000 +0 0.5597 O( 276 LYS* 35) 5.94600000 +0 -26.48700000 +0 -14.10200000 +0 -0.6025 C( 277 LYS 35) 9.13700000 +0 -25.98300000 +0 -14.35100000 +0 -0.2890 C( 278 LYS 35) 10.29300000 +0 -26.29900000 +0 -15.28599900 +0 -0.2657 C( 279 LYS 35) 9.95000000 +0 -27.46800000 +0 -16.19000100 +0 -0.3077 C( 280 LYS 35) 11.13700000 +0 -27.88200000 +0 -17.04100000 +0 -0.0991 N( 281 LYS 35) 10.82900000 +0 -29.09300000 +0 -17.84600100 +0 -0.6920 N( 282 SER* 36) 6.52000000 +0 -24.46200000 +0 -13.31400000 +0 -0.5387 C( 283 SER* 36) 5.41900000 +0 -24.38999900 +0 -12.35600000 +0 -0.0552 C( 284 SER* 36) 4.07300000 +0 -24.07099900 +0 -13.01100000 +0 0.5418 O( 285 SER* 36) 3.03700000 +0 -24.60200100 +0 -12.61000000 +0 -0.5700 C( 286 SER 36) 5.71400000 +0 -23.32300000 +0 -11.29800000 +0 -0.0212 O( 287 SER 36) 6.85700000 +0 -23.65900000 +0 -10.53000000 +0 -0.5568 N( 288 HIS* 37) 4.10300000 +0 -23.20200000 +0 -14.01900000 +0 -0.5440 C( 289 HIS* 37) 2.90400000 +0 -22.76800000 +0 -14.72699900 +0 0.0225 C( 290 HIS* 37) 3.22900000 +0 -22.72300000 +0 -16.21999900 +0 0.5953 O( 291 HIS* 37) 3.49000000 +0 -21.65900000 +0 -16.78800000 +0 -0.6957 C( 292 HIS 37) 2.49900000 +0 -21.38500000 +0 -14.20900000 +0 -0.2908 C( 293 HIS 37) 2.33400000 +0 -21.33200100 +0 -12.71900000 +0 0.0968 N( 294 HIS 37) 1.21000000 +0 -21.80299900 +0 -12.08100000 +0 -0.2565 C( 295 HIS 37) 3.18400000 +0 -20.93499900 +0 -11.74400000 +0 -0.1442 C( 296 HIS 37) 1.37500000 +0 -21.70000100 +0 -10.77300000 +0 0.1107 N( 297 HIS 37) 2.56200000 +0 -21.17700000 +0 -10.54200000 +0 -0.2420 N( 298 PRO* 38) 3.21500000 +0 -23.89500000 +0 -16.87599900 +0 -0.4224 C( 299 PRO* 38) 3.51200000 +0 -24.03900100 +0 -18.30299900 +0 0.0001 C( 300 PRO* 38) 2.79100000 +0 -23.08800100 +0 -19.24700000 +0 0.5807 O( 301 PRO* 38) 3.32200000 +0 -22.74300000 +0 -20.30200000 +0 -0.6980 C( 302 PRO 38) 3.15600000 +0 -25.49600000 +0 -18.58300000 +0 -0.2786 C( 303 PRO 38) 3.46800000 +0 -26.16300000 +0 -17.28700100 +0 -0.2864 C( 304 PRO 38) 2.87800000 +0 -25.20400000 +0 -16.28599900 +0 -0.0722 N( 305 GLU* 39) 1.58200000 +0 -22.67100000 +0 -18.88200000 +0 -0.5456 C( 306 GLU* 39) 0.82000000 +0 -21.77199900 +0 -19.74099900 +0 -0.0054 C( 307 GLU* 39) 1.54500000 +0 -20.45100000 +0 -19.97600000 +0 0.5909 O( 308 GLU* 39) 1.35300000 +0 -19.81100100 +0 -21.00900100 +0 -0.6597 C( 309 GLU 39) -0.56900000 +0 -21.49200100 +0 -19.15000000 +0 -0.2600 C( 310 GLU 39) -0.55600000 +0 -20.69000100 +0 -17.86000100 +0 -0.4012 C( 311 GLU 39) -0.58300000 +0 -21.55900000 +0 -16.62100000 +0 0.7815 O( 312 GLU 39) 0.07400000 +0 -22.62200000 +0 -16.61999900 +0 -0.8122 O( 313 GLU 39) -1.25600000 +0 -21.16700000 +0 -15.64500000 +0 -0.7771 N( 314 THR* 40) 2.38700000 +0 -20.04500000 +0 -19.02899900 +0 -0.5446 C( 315 THR* 40) 3.11200000 +0 -18.78500000 +0 -19.17300000 +0 -0.0768 C( 316 THR* 40) 4.13300000 +0 -18.83400000 +0 -20.30699900 +0 0.5761 O( 317 THR* 40) 4.42100000 +0 -17.81399900 +0 -20.92900100 +0 -0.6296 C( 318 THR 40) 3.83300000 +0 -18.38800000 +0 -17.86100000 +0 0.1805 O( 319 THR 40) 4.80000000 +0 -19.38700100 +0 -17.51800000 +0 -0.6046 C( 320 THR 40) 2.82700000 +0 -18.24300000 +0 -16.72200000 +0 -0.5083 N( 321 LEU* 41) 4.67600000 +0 -20.01700000 +0 -20.57700000 +0 -0.5455 C( 322 LEU* 41) 5.66500000 +0 -20.17200100 +0 -21.63900000 +0 -0.0037 C( 323 LEU* 41) 5.05000000 +0 -19.92400000 +0 -23.01700000 +0 0.5728 O( 324 LEU* 41) 5.74900000 +0 -19.54600000 +0 -23.96100000 +0 -0.6198 C( 325 LEU 41) 6.27700000 +0 -21.57600000 +0 -21.57399900 +0 -0.3088 C( 326 LEU 41) 7.34500000 +0 -21.93800000 +0 -22.61400000 +0 -0.0383 C( 327 LEU 41) 8.49900000 +0 -20.94599900 +0 -22.55699900 +0 -0.4730 C( 328 LEU 41) 7.84400000 +0 -23.35200100 +0 -22.35300100 +0 -0.4594 N( 329 GLU* 42) 3.74000000 +0 -20.13100100 +0 -23.12100000 +0 -0.5509 C( 330 GLU* 42) 3.01400000 +0 -19.93400000 +0 -24.37200000 +0 0.0126 C( 331 GLU* 42) 3.04000000 +0 -18.48300000 +0 -24.84899900 +0 0.5682 O( 332 GLU* 42) 2.74900000 +0 -18.20100000 +0 -26.01300000 +0 -0.6149 C( 333 GLU 42) 1.55900000 +0 -20.37599900 +0 -24.20400000 +0 -0.2780 C( 334 GLU 42) 1.35700000 +0 -21.87400100 +0 -24.05500000 +0 -0.3971 C( 335 GLU 42) -0.07200000 +0 -22.22900000 +0 -23.68100000 +0 0.6569 O( 336 GLU 42) -1.00300000 +0 -21.57000000 +0 -24.19199900 +0 -0.5153 O( 337 GLU 42) -0.26800000 +0 -23.17000000 +0 -22.88299900 +0 -0.5755 N( 338 LYS* 43) 3.38300000 +0 -17.56399900 +0 -23.95100000 +0 -0.5512 C( 339 LYS* 43) 3.43000000 +0 -16.14300000 +0 -24.29299900 +0 0.0126 C( 340 LYS* 43) 4.69200000 +0 -15.73400000 +0 -25.04999900 +0 0.5930 O( 341 LYS* 43) 4.80600000 +0 -14.59200000 +0 -25.48600000 +0 -0.6836 C( 342 LYS 43) 3.32900000 +0 -15.29300000 +0 -23.02199900 +0 -0.3024 C( 343 LYS 43) 2.00100000 +0 -15.38300000 +0 -22.28800000 +0 -0.2504 C( 344 LYS 43) 0.89000000 +0 -14.67400000 +0 -23.04200000 +0 -0.3176 C( 345 LYS 43) -0.40200000 +0 -14.69400000 +0 -22.24200100 +0 -0.0969 N( 346 LYS 43) -1.52900000 +0 -14.00000000 +0 -22.93600100 +0 -0.6731 N( 347 PHE* 44) 5.62900000 +0 -16.66200100 +0 -25.20900000 +0 -0.5205 C( 348 PHE* 44) 6.89600000 +0 -16.37300100 +0 -25.88200000 +0 0.0149 C( 349 PHE* 44) 7.08200000 +0 -17.17700000 +0 -27.16799900 +0 0.5794 O( 350 PHE* 44) 7.61100000 +0 -18.28500000 +0 -27.13700100 +0 -0.6329 C( 351 PHE 44) 8.05299900 +0 -16.67000000 +0 -24.92700000 +0 -0.3208 C( 352 PHE 44) 8.07100000 +0 -15.80600000 +0 -23.69599900 +0 0.0293 C( 353 PHE 44) 8.58800000 +0 -14.51700000 +0 -23.74500100 +0 -0.1694 C( 354 PHE 44) 7.58700000 +0 -16.28700100 +0 -22.48100100 +0 -0.1537 C( 355 PHE 44) 8.63700000 +0 -13.71900000 +0 -22.60100000 +0 -0.1440 C( 356 PHE 44) 7.63100000 +0 -15.49800000 +0 -21.33099900 +0 -0.1474 C( 357 PHE 44) 8.15500000 +0 -14.21100000 +0 -21.39200000 +0 -0.1802 N( 358 ASP* 45) 6.67900000 +0 -16.60899900 +0 -28.29999900 +0 -0.5532 C( 359 ASP* 45) 6.79800000 +0 -17.31100100 +0 -29.57399900 +0 0.0219 C( 360 ASP* 45) 8.22100000 +0 -17.66600000 +0 -29.99000000 +0 0.5771 O( 361 ASP* 45) 8.42000000 +0 -18.53900000 +0 -30.83600000 +0 -0.6557 C( 362 ASP 45) 6.12500000 +0 -16.51000000 +0 -30.69200100 +0 -0.4396 C( 363 ASP 45) 4.62100000 +0 -16.45300100 +0 -30.53900000 +0 0.6712 O( 364 ASP 45) 4.04400000 +0 -17.44500000 +0 -30.04700100 +0 -0.4970 O( 365 ASP 45) 4.01700000 +0 -15.42900000 +0 -30.92200100 +0 -0.5073 N( 366 ARG* 46) 9.21100000 +0 -17.00000000 +0 -29.40200000 +0 -0.5373 C( 367 ARG* 46) 10.60200000 +0 -17.27600100 +0 -29.74399900 +0 -0.0191 C( 368 ARG* 46) 11.16500000 +0 -18.52800000 +0 -29.08600000 +0 0.5406 O( 369 ARG* 46) 12.12500000 +0 -19.11800000 +0 -29.58600000 +0 -0.5999 C( 370 ARG 46) 11.48300000 +0 -16.07399900 +0 -29.39699900 +0 -0.2885 C( 371 ARG 46) 11.27700000 +0 -14.89500000 +0 -30.32900000 +0 -0.2947 C( 372 ARG 46) 12.28400000 +0 -13.78600000 +0 -30.08700000 +0 -0.0658 N( 373 ARG 46) 12.22200000 +0 -12.79500000 +0 -31.15600000 +0 -0.5876 C( 374 ARG 46) 13.06100000 +0 -11.77400000 +0 -31.28500000 +0 0.6140 N( 375 ARG 46) 14.03599900 +0 -11.59900000 +0 -30.40200000 +0 -0.7009 N( 376 ARG 46) 12.93200000 +0 -10.93600000 +0 -32.30600000 +0 -0.8485 N( 377 PHE* 47) 10.57500000 +0 -18.94100000 +0 -27.96699900 +0 -0.5388 C( 378 PHE* 47) 11.06400000 +0 -20.12500000 +0 -27.27700000 +0 -0.0037 C( 379 PHE* 47) 10.00400000 +0 -20.94400000 +0 -26.54600000 +0 0.5575 O( 380 PHE* 47) 10.32000000 +0 -21.66500100 +0 -25.60199900 +0 -0.6143 C( 381 PHE 47) 12.20200000 +0 -19.73700000 +0 -26.31500100 +0 -0.3173 C( 382 PHE 47) 11.83000000 +0 -18.67400000 +0 -25.30200000 +0 0.0091 C( 383 PHE 47) 11.34700000 +0 -19.02500000 +0 -24.04500000 +0 -0.1731 C( 384 PHE 47) 12.02000000 +0 -17.32500100 +0 -25.58799900 +0 -0.2114 C( 385 PHE 47) 11.06300000 +0 -18.04600000 +0 -23.08600000 +0 -0.1387 C( 386 PHE 47) 11.73700000 +0 -16.34200100 +0 -24.63800000 +0 -0.1315 C( 387 PHE 47) 11.26100000 +0 -16.70500000 +0 -23.38200000 +0 -0.1558 N( 388 LYS* 48) 8.75600100 +0 -20.86500000 +0 -27.00300000 +0 -0.5179 C( 389 LYS* 48) 7.67000000 +0 -21.60500000 +0 -26.36400000 +0 0.0025 C( 390 LYS* 48) 7.74600000 +0 -23.11899900 +0 -26.54900000 +0 0.5788 O( 391 LYS* 48) 7.00000000 +0 -23.85900100 +0 -25.91000000 +0 -0.6405 C( 392 LYS 48) 6.31000000 +0 -21.10100000 +0 -26.86200000 +0 -0.2922 C( 393 LYS 48) 6.05500000 +0 -21.28800000 +0 -28.34800000 +0 -0.2733 C( 394 LYS 48) 4.70500000 +0 -20.69100000 +0 -28.72900000 +0 -0.3200 C( 395 LYS 48) 4.44800000 +0 -20.77600100 +0 -30.22200000 +0 -0.0885 N( 396 LYS 48) 3.14300000 +0 -20.14900000 +0 -30.57400100 +0 -0.6532 N( 397 HIS* 49) 8.64900000 +0 -23.58200100 +0 -27.40900000 +0 -0.5548 C( 398 HIS* 49) 8.78500000 +0 -25.01700000 +0 -27.64699900 +0 0.0093 C( 399 HIS* 49) 9.82300000 +0 -25.69000100 +0 -26.74900100 +0 0.5736 O( 400 HIS* 49) 10.03400000 +0 -26.90000200 +0 -26.83499900 +0 -0.6312 C( 401 HIS 49) 9.10900000 +0 -25.27500200 +0 -29.12100000 +0 -0.2682 C( 402 HIS 49) 7.97700000 +0 -24.95000100 +0 -30.04900000 +0 0.0934 N( 403 HIS 49) 6.81300000 +0 -25.68400000 +0 -30.08099900 +0 -0.4239 C( 404 HIS 49) 7.82400000 +0 -23.95700100 +0 -30.95399900 +0 -0.1854 C( 405 HIS 49) 5.98600000 +0 -25.15399900 +0 -30.96800000 +0 0.0673 N( 406 HIS 49) 6.57700000 +0 -24.10400000 +0 -31.51200100 +0 -0.2991 N( 407 LEU* 50) 10.46900000 +0 -24.91199900 +0 -25.88700100 +0 -0.5322 C( 408 LEU* 50) 11.46000000 +0 -25.46699900 +0 -24.96800000 +0 0.0084 C( 409 LEU* 50) 10.73200000 +0 -26.38900000 +0 -23.99099900 +0 0.5645 O( 410 LEU* 50) 9.61800000 +0 -26.08700000 +0 -23.56600000 +0 -0.5720 C( 411 LEU 50) 12.15900000 +0 -24.34500100 +0 -24.19199900 +0 -0.3205 C( 412 LEU 50) 12.96500000 +0 -23.30900000 +0 -24.98000000 +0 -0.0362 C( 413 LEU 50) 13.39600000 +0 -22.19199900 +0 -24.04100000 +0 -0.4562 C( 414 LEU 50) 14.17600100 +0 -23.96800000 +0 -25.62699900 +0 -0.4660 N( 415 LYS* 51) 11.35300100 +0 -27.50899900 +0 -23.63400100 +0 -0.5532 C( 416 LYS* 51) 10.71800000 +0 -28.44599900 +0 -22.71100000 +0 -0.0035 C( 417 LYS* 51) 11.58200000 +0 -28.83900100 +0 -21.51800000 +0 0.5598 O( 418 LYS* 51) 11.19000100 +0 -28.64099900 +0 -20.36999900 +0 -0.6019 C( 419 LYS 51) 10.27900000 +0 -29.70400000 +0 -23.46200000 +0 -0.3021 C( 420 LYS 51) 9.19600000 +0 -29.44800000 +0 -24.50000000 +0 -0.2668 C( 421 LYS 51) 8.78100000 +0 -30.72900000 +0 -25.20700100 +0 -0.3150 C( 422 LYS 51) 9.93100000 +0 -31.32500100 +0 -26.00400000 +0 -0.1041 N( 423 LYS 51) 9.52800000 +0 -32.57199900 +0 -26.71200000 +0 -0.6608 N( 424 THR* 52) 12.75799900 +0 -29.39500000 +0 -21.78500000 +0 -0.5263 C( 425 THR* 52) 13.64699900 +0 -29.81399900 +0 -20.70800000 +0 -0.0381 C( 426 THR* 52) 14.37500000 +0 -28.62200000 +0 -20.10300100 +0 0.5790 O( 427 THR* 52) 14.54900000 +0 -27.59199900 +0 -20.75700000 +0 -0.6347 C( 428 THR 52) 14.69800000 +0 -30.82200100 +0 -21.20999900 +0 0.1698 O( 429 THR 52) 15.61000100 +0 -30.16300000 +0 -22.09800000 +0 -0.6582 C( 430 THR 52) 14.02199900 +0 -31.96900200 +0 -21.94800000 +0 -0.4955 N( 431 GLU* 53) 14.79100000 +0 -28.75899900 +0 -18.84800000 +0 -0.5600 C( 432 GLU* 53) 15.50900100 +0 -27.68800000 +0 -18.17300000 +0 0.0142 C( 433 GLU* 53) 16.82000000 +0 -27.45400000 +0 -18.91300000 +0 0.5722 O( 434 GLU* 53) 17.32700000 +0 -26.33300000 +0 -18.95800000 +0 -0.6499 C( 435 GLU 53) 15.78500000 +0 -28.06000100 +0 -16.71200000 +0 -0.2788 C( 436 GLU 53) 16.47800100 +0 -26.96300100 +0 -15.91500000 +0 -0.3371 C( 437 GLU 53) 16.51400000 +0 -27.24800100 +0 -14.42600100 +0 0.6803 O( 438 GLU 53) 17.06600000 +0 -26.41700000 +0 -13.67500000 +0 -0.6376 O( 439 GLU 53) 15.98800100 +0 -28.29999900 +0 -14.00500000 +0 -0.4915 N( 440 ALA* 54) 17.35600100 +0 -28.52100000 +0 -19.50000000 +0 -0.5579 C( 441 ALA* 54) 18.60100000 +0 -28.44000100 +0 -20.25400000 +0 0.0194 C( 442 ALA* 54) 18.42300000 +0 -27.49700000 +0 -21.44000100 +0 0.5800 O( 443 ALA* 54) 19.26100000 +0 -26.62900000 +0 -21.68700000 +0 -0.6606 C( 444 ALA 54) 19.00799900 +0 -29.82500100 +0 -20.74200100 +0 -0.4728 N( 445 GLU* 55) 17.32900000 +0 -27.67499900 +0 -22.17400000 +0 -0.5392 C( 446 GLU* 55) 17.04500000 +0 -26.82400100 +0 -23.32399900 +0 -0.0106 C( 447 GLU* 55) 16.82799900 +0 -25.39200000 +0 -22.85899900 +0 0.5697 O( 448 GLU* 55) 17.30699900 +0 -24.44700100 +0 -23.48500100 +0 -0.6560 C( 449 GLU 55) 15.79600000 +0 -27.30699900 +0 -24.05999900 +0 -0.2694 C( 450 GLU 55) 15.91400000 +0 -28.70299900 +0 -24.63700100 +0 -0.4060 C( 451 GLU 55) 14.64500000 +0 -29.14200000 +0 -25.33499900 +0 0.7157 O( 452 GLU 55) 13.56300000 +0 -29.02899900 +0 -24.71900000 +0 -0.6146 O( 453 GLU 55) 14.72800100 +0 -29.60500000 +0 -26.49300000 +0 -0.5380 N( 454 MET* 56) 16.10600100 +0 -25.23700000 +0 -21.75400000 +0 -0.5299 C( 455 MET* 56) 15.83700000 +0 -23.91000000 +0 -21.22100100 +0 -0.0051 C( 456 MET* 56) 17.12100000 +0 -23.21100000 +0 -20.79900000 +0 0.5760 O( 457 MET* 56) 17.26899900 +0 -22.00900100 +0 -21.00499900 +0 -0.6463 C( 458 MET 56) 14.86100000 +0 -23.99499900 +0 -20.04500000 +0 -0.2936 C( 459 MET 56) 13.44100000 +0 -24.34000000 +0 -20.46900000 +0 -0.3555 S( 460 MET 56) 12.30900000 +0 -24.44800000 +0 -19.08300000 +0 -0.0020 C( 461 MET 56) 10.87300000 +0 -25.12100000 +0 -19.86899900 +0 -0.5222 N( 462 LYS* 57) 18.05200000 +0 -23.96400100 +0 -20.21699900 +0 -0.5406 C( 463 LYS* 57) 19.32799900 +0 -23.39900000 +0 -19.79100000 +0 0.0031 C( 464 LYS* 57) 20.21900000 +0 -23.02100000 +0 -20.97600000 +0 0.5735 O( 465 LYS* 57) 21.05400100 +0 -22.12100000 +0 -20.87200000 +0 -0.6366 C( 466 LYS 57) 20.07500100 +0 -24.39099900 +0 -18.89699900 +0 -0.2981 C( 467 LYS 57) 19.57900000 +0 -24.44300100 +0 -17.46299900 +0 -0.2661 C( 468 LYS 57) 19.90600000 +0 -23.15200000 +0 -16.72300000 +0 -0.3215 C( 469 LYS 57) 19.57799900 +0 -23.26900100 +0 -15.24399900 +0 -0.1058 N( 470 LYS 57) 20.32500100 +0 -24.38999900 +0 -14.60500000 +0 -0.6487 N( 471 ALA* 58) 20.03500000 +0 -23.69900100 +0 -22.10100000 +0 -0.5495 C( 472 ALA* 58) 20.84700000 +0 -23.43000000 +0 -23.28400000 +0 0.0162 C( 473 ALA* 58) 20.24799900 +0 -22.36899900 +0 -24.20400000 +0 0.5474 O( 474 ALA* 58) 20.91200100 +0 -21.90399900 +0 -25.13100100 +0 -0.5782 C( 475 ALA 58) 21.07200100 +0 -24.72600000 +0 -24.06100100 +0 -0.4544 N( 476 SER* 59) 19.00200100 +0 -21.98400100 +0 -23.94199900 +0 -0.5266 C( 477 SER* 59) 18.31399900 +0 -20.99399900 +0 -24.76600100 +0 -0.0472 C( 478 SER* 59) 18.79700100 +0 -19.56500100 +0 -24.57900000 +0 0.5920 O( 479 SER* 59) 18.77800000 +0 -19.03300100 +0 -23.46900000 +0 -0.6132 C( 480 SER 59) 16.81100100 +0 -21.03200000 +0 -24.49700000 +0 -0.0112 O( 481 SER 59) 16.18000000 +0 -19.91000000 +0 -25.09100000 +0 -0.5977 N( 482 GLU* 60) 19.21999900 +0 -18.94199900 +0 -25.67200100 +0 -0.5535 C( 483 GLU* 60) 19.67600100 +0 -17.56200000 +0 -25.61800000 +0 -0.0013 C( 484 GLU* 60) 18.48600000 +0 -16.62100000 +0 -25.47100100 +0 0.5529 O( 485 GLU* 60) 18.56900000 +0 -15.61400000 +0 -24.76700000 +0 -0.5670 C( 486 GLU 60) 20.46500000 +0 -17.21900000 +0 -26.88000100 +0 -0.2819 C( 487 GLU 60) 21.87299900 +0 -17.78100000 +0 -26.88399900 +0 -0.3351 C( 488 GLU 60) 22.73800100 +0 -17.16400000 +0 -25.79999900 +0 0.6821 O( 489 GLU 60) 22.87700100 +0 -15.92300000 +0 -25.79200000 +0 -0.6273 O( 490 GLU 60) 23.27700000 +0 -17.91500100 +0 -24.95900000 +0 -0.5302 N( 491 ASP* 61) 17.37100000 +0 -16.94400000 +0 -26.12200000 +0 -0.5585 C( 492 ASP* 61) 16.19800000 +0 -16.08600000 +0 -26.01000000 +0 0.0185 C( 493 ASP* 61) 15.69300100 +0 -16.04299900 +0 -24.57300000 +0 0.5695 O( 494 ASP* 61) 15.32099900 +0 -14.98300000 +0 -24.07099900 +0 -0.6222 C( 495 ASP 61) 15.06500100 +0 -16.56500100 +0 -26.92300000 +0 -0.3864 C( 496 ASP 61) 15.32700000 +0 -16.26700000 +0 -28.38399900 +0 0.6778 O( 497 ASP 61) 15.67499900 +0 -15.10900000 +0 -28.70299900 +0 -0.5922 O( 498 ASP 61) 15.17600100 +0 -17.19100000 +0 -29.21100000 +0 -0.5375 N( 499 LEU* 62) 15.67300000 +0 -17.19599900 +0 -23.91000000 +0 -0.5427 C( 500 LEU* 62) 15.19800000 +0 -17.23900000 +0 -22.53200000 +0 -0.0156 C( 501 LEU* 62) 16.14900000 +0 -16.46000100 +0 -21.63200000 +0 0.5748 O( 502 LEU* 62) 15.71500000 +0 -15.65400000 +0 -20.80900000 +0 -0.6236 C( 503 LEU 62) 15.06600000 +0 -18.69100000 +0 -22.06100100 +0 -0.3346 C( 504 LEU 62) 14.44600000 +0 -18.93199900 +0 -20.68199900 +0 -0.0339 C( 505 LEU 62) 13.83799900 +0 -20.32500100 +0 -20.66900100 +0 -0.4584 C( 506 LEU 62) 15.48000000 +0 -18.77400000 +0 -19.57099900 +0 -0.4703 N( 507 LYS* 63) 17.45000100 +0 -16.68000000 +0 -21.80800100 +0 -0.5510 C( 508 LYS* 63) 18.45100000 +0 -15.99000000 +0 -21.00099900 +0 -0.0023 C( 509 LYS* 63) 18.34499900 +0 -14.47700000 +0 -21.16600000 +0 0.5854 O( 510 LYS* 63) 18.41200100 +0 -13.73000000 +0 -20.18700000 +0 -0.6604 C( 511 LYS 63) 19.85500000 +0 -16.46000100 +0 -21.39600000 +0 -0.3031 C( 512 LYS 63) 20.96800000 +0 -15.88400000 +0 -20.53200000 +0 -0.2594 C( 513 LYS 63) 22.34800000 +0 -16.26000000 +0 -21.06100100 +0 -0.2781 C( 514 LYS 63) 22.58499900 +0 -17.75500100 +0 -21.01100000 +0 -0.1184 N( 515 LYS 63) 23.86700100 +0 -18.12500000 +0 -21.67400000 +0 -0.6826 N( 516 LYS* 64) 18.18300100 +0 -14.02500100 +0 -22.40600000 +0 -0.5307 C( 517 LYS* 64) 18.06500100 +0 -12.59800000 +0 -22.67499900 +0 -0.0010 C( 518 LYS* 64) 16.82700000 +0 -12.01100000 +0 -22.00099900 +0 0.5866 O( 519 LYS* 64) 16.88100100 +0 -10.90900000 +0 -21.45200000 +0 -0.6685 C( 520 LYS 64) 18.01100000 +0 -12.34600100 +0 -24.18300100 +0 -0.2967 C( 521 LYS 64) 19.32500100 +0 -12.62600000 +0 -24.89800100 +0 -0.2596 C( 522 LYS 64) 19.15200000 +0 -12.56900000 +0 -26.40700000 +0 -0.2649 C( 523 LYS 64) 20.46600000 +0 -12.83000000 +0 -27.12500000 +0 -0.1104 N( 524 LYS 64) 21.46600000 +0 -11.75900000 +0 -26.85599900 +0 -0.6381 N( 525 HIS* 65) 15.71200000 +0 -12.74000000 +0 -22.02300100 +0 -0.5388 C( 526 HIS* 65) 14.51100000 +0 -12.21900000 +0 -21.38500000 +0 0.0095 C( 527 HIS* 65) 14.68600100 +0 -12.15100000 +0 -19.87299900 +0 0.5711 O( 528 HIS* 65) 14.19700100 +0 -11.22500000 +0 -19.23200000 +0 -0.6491 C( 529 HIS 65) 13.27600000 +0 -13.06000000 +0 -21.70800000 +0 -0.2772 C( 530 HIS 65) 11.99800000 +0 -12.38000000 +0 -21.33400000 +0 0.0685 N( 531 HIS 65) 11.57900000 +0 -11.21600000 +0 -21.94400000 +0 -0.4795 C( 532 HIS 65) 11.09800000 +0 -12.63900000 +0 -20.35599900 +0 -0.1580 C( 533 HIS 65) 10.47900000 +0 -10.78600000 +0 -21.35100000 +0 0.0412 N( 534 HIS 65) 10.16700000 +0 -11.62600000 +0 -20.38699900 +0 -0.3230 N( 535 GLY* 66) 15.37999900 +0 -13.13500000 +0 -19.30699900 +0 -0.5226 C( 536 GLY* 66) 15.61000100 +0 -13.14000000 +0 -17.87200000 +0 -0.1615 C( 537 GLY* 66) 16.38100100 +0 -11.90100000 +0 -17.45800000 +0 0.6026 O( 538 GLY* 66) 16.07099900 +0 -11.27600000 +0 -16.44400000 +0 -0.6683 N( 539 VAL* 67) 17.38900000 +0 -11.54100000 +0 -18.24300000 +0 -0.5427 C( 540 VAL* 67) 18.19199900 +0 -10.36000100 +0 -17.95299900 +0 -0.0177 C( 541 VAL* 67) 17.33900100 +0 -9.09700000 +0 -18.07600000 +0 0.5724 O( 542 VAL* 67) 17.45200000 +0 -8.17500000 +0 -17.26900100 +0 -0.6154 C( 543 VAL 67) 19.39100100 +0 -10.26600100 +0 -18.91700000 +0 -0.0789 C( 544 VAL 67) 20.11400000 +0 -8.94000100 +0 -18.73500100 +0 -0.4495 C( 545 VAL 67) 20.34100000 +0 -11.42600100 +0 -18.65600000 +0 -0.4593 N( 546 THR* 68) 16.47900000 +0 -9.05999900 +0 -19.08600000 +0 -0.5569 C( 547 THR* 68) 15.60800000 +0 -7.90900000 +0 -19.29400100 +0 -0.0627 C( 548 THR* 68) 14.68499900 +0 -7.73300000 +0 -18.09499900 +0 0.5921 O( 549 THR* 68) 14.50400000 +0 -6.62400100 +0 -17.58499900 +0 -0.6783 C( 550 THR 68) 14.76199900 +0 -8.09600100 +0 -20.56100100 +0 0.1626 O( 551 THR 68) 15.61899900 +0 -8.04400100 +0 -21.70599900 +0 -0.5828 C( 552 THR 68) 13.69300000 +0 -7.01300000 +0 -20.66799900 +0 -0.4705 N( 553 VAL* 69) 14.10500000 +0 -8.83800000 +0 -17.64500000 +0 -0.5270 C( 554 VAL* 69) 13.20200000 +0 -8.80400100 +0 -16.50799900 +0 -0.0237 C( 555 VAL* 69) 13.89100000 +0 -8.32900000 +0 -15.23400000 +0 0.5846 O( 556 VAL* 69) 13.42700000 +0 -7.39600000 +0 -14.58000000 +0 -0.6635 C( 557 VAL 69) 12.58099900 +0 -10.19600000 +0 -16.25600100 +0 -0.0844 C( 558 VAL 69) 11.77500000 +0 -10.18800000 +0 -14.95700000 +0 -0.4620 C( 559 VAL 69) 11.68300100 +0 -10.57600000 +0 -17.42200100 +0 -0.4680 N( 560 LEU* 70) 15.00300000 +0 -8.95900000 +0 -14.87800000 +0 -0.5480 C( 561 LEU* 70) 15.68400000 +0 -8.57000000 +0 -13.65300000 +0 -0.0098 C( 562 LEU* 70) 16.25400000 +0 -7.15600000 +0 -13.70500000 +0 0.5608 O( 563 LEU* 70) 16.28500000 +0 -6.46400000 +0 -12.68600000 +0 -0.6364 C( 564 LEU 70) 16.76800000 +0 -9.59400000 +0 -13.30400000 +0 -0.3087 C( 565 LEU 70) 16.20900000 +0 -10.99700000 +0 -13.01700000 +0 -0.0426 C( 566 LEU 70) 17.33700000 +0 -11.89600000 +0 -12.53400000 +0 -0.4661 C( 567 LEU 70) 15.10600100 +0 -10.93700000 +0 -11.96500000 +0 -0.4716 N( 568 THR* 71) 16.69199900 +0 -6.72200000 +0 -14.88100100 +0 -0.5413 C( 569 THR* 71) 17.22600000 +0 -5.37100000 +0 -15.02199900 +0 -0.0711 C( 570 THR* 71) 16.09200100 +0 -4.36800000 +0 -14.80700000 +0 0.5763 O( 571 THR* 71) 16.24300000 +0 -3.38900000 +0 -14.07100000 +0 -0.6413 C( 572 THR 71) 17.83700000 +0 -5.15500000 +0 -16.42000000 +0 0.1601 O( 573 THR 71) 18.91300000 +0 -6.08100000 +0 -16.61800000 +0 -0.5422 C( 574 THR 71) 18.37200000 +0 -3.73900000 +0 -16.55800100 +0 -0.5199 N( 575 GLY* 72) 14.94800000 +0 -4.62200000 +0 -15.43400000 +0 -0.5103 C( 576 GLY* 72) 13.82200100 +0 -3.71800000 +0 -15.27800000 +0 -0.1563 C( 577 GLY* 72) 13.26200000 +0 -3.71800000 +0 -13.86700000 +0 0.5807 O( 578 GLY* 72) 12.92200000 +0 -2.66300000 +0 -13.32300000 +0 -0.6534 N( 579 LEU* 73) 13.15500100 +0 -4.90000100 +0 -13.26800000 +0 -0.5453 C( 580 LEU* 73) 12.63400000 +0 -5.00100000 +0 -11.91200000 +0 0.0054 C( 581 LEU* 73) 13.59700000 +0 -4.34000000 +0 -10.92500000 +0 0.5757 O( 582 LEU* 73) 13.16800000 +0 -3.69500000 +0 -9.96800000 +0 -0.6581 C( 583 LEU 73) 12.40399900 +0 -6.47000000 +0 -11.53600000 +0 -0.3078 C( 584 LEU 73) 11.78000100 +0 -6.71200000 +0 -10.15800000 +0 -0.0473 C( 585 LEU 73) 10.52400000 +0 -5.86100000 +0 -10.00600000 +0 -0.4645 C( 586 LEU 73) 11.44500000 +0 -8.19100000 +0 -9.99300000 +0 -0.4559 N( 587 GLY* 74) 14.89699900 +0 -4.49800000 +0 -11.16100000 +0 -0.5195 C( 588 GLY* 74) 15.88200000 +0 -3.88800000 +0 -10.28500000 +0 -0.1617 C( 589 GLY* 74) 15.73100100 +0 -2.37800000 +0 -10.27200000 +0 0.5880 O( 590 GLY* 74) 15.83099900 +0 -1.74300000 +0 -9.22200000 +0 -0.6251 N( 591 ALA* 75) 15.49000000 +0 -1.79700000 +0 -11.44400000 +0 -0.5611 C( 592 ALA* 75) 15.30900000 +0 -0.35200000 +0 -11.55500000 +0 0.0343 C( 593 ALA* 75) 14.06200000 +0 0.07500000 +0 -10.77900000 +0 0.5652 O( 594 ALA* 75) 14.05600000 +0 1.11000000 +0 -10.10900000 +0 -0.6458 C( 595 ALA 75) 15.18499900 +0 0.04500000 +0 -13.02000000 +0 -0.4759 N( 596 ILE* 76) 13.00300000 +0 -0.72500000 +0 -10.87600000 +0 -0.5375 C( 597 ILE* 76) 11.75900000 +0 -0.44100000 +0 -10.17000000 +0 -0.0114 C( 598 ILE* 76) 11.96900000 +0 -0.48300000 +0 -8.65400000 +0 0.5776 O( 599 ILE* 76) 11.57800000 +0 0.44199900 +0 -7.93300000 +0 -0.6510 C( 600 ILE 76) 10.67000000 +0 -1.46600100 +0 -10.56900000 +0 -0.1102 C( 601 ILE 76) 10.24900100 +0 -1.21700000 +0 -12.02000000 +0 -0.2637 C( 602 ILE 76) 9.47000000 +0 -1.37300000 +0 -9.62500000 +0 -0.4523 C( 603 ILE 76) 9.39500000 +0 -2.32300000 +0 -12.62600000 +0 -0.4280 N( 604 LEU* 77) 12.60300100 +0 -1.54700000 +0 -8.17100000 +0 -0.5497 C( 605 LEU* 77) 12.84000000 +0 -1.69200000 +0 -6.73900000 +0 -0.0097 C( 606 LEU* 77) 13.69100000 +0 -0.56800000 +0 -6.15500100 +0 0.5590 O( 607 LEU* 77) 13.44199900 +0 -0.11000100 +0 -5.04299900 +0 -0.6209 C( 608 LEU 77) 13.49300000 +0 -3.04800000 +0 -6.44900000 +0 -0.3155 C( 609 LEU 77) 12.63800000 +0 -4.26600000 +0 -6.80800000 +0 -0.0532 C( 610 LEU 77) 13.45400000 +0 -5.53200100 +0 -6.59800000 +0 -0.4622 C( 611 LEU 77) 11.37200000 +0 -4.29200000 +0 -5.95700100 +0 -0.4571 N( 612 LYS* 78) 14.69199900 +0 -0.11900000 +0 -6.90600000 +0 -0.5470 C( 613 LYS* 78) 15.55800100 +0 0.94800000 +0 -6.42600000 +0 -0.0067 C( 614 LYS* 78) 14.82000000 +0 2.27300000 +0 -6.25900100 +0 0.5778 O( 615 LYS* 78) 15.29299900 +0 3.17200000 +0 -5.56100100 +0 -0.6578 C( 616 LYS 78) 16.75700000 +0 1.09900000 +0 -7.36000000 +0 -0.2902 C( 617 LYS 78) 17.67799900 +0 -0.10600000 +0 -7.29400000 +0 -0.2705 C( 618 LYS 78) 18.80400100 +0 -0.04500000 +0 -8.30500000 +0 -0.2830 C( 619 LYS 78) 19.62599900 +0 -1.31900000 +0 -8.24300000 +0 -0.0967 N( 620 LYS 78) 20.69000100 +0 -1.35400000 +0 -9.27900000 +0 -0.7138 N( 621 LYS* 79) 13.65800000 +0 2.39199900 +0 -6.89300000 +0 -0.5338 C( 622 LYS* 79) 12.86100000 +0 3.61000000 +0 -6.77500000 +0 -0.0015 C( 623 LYS* 79) 12.09499900 +0 3.60300000 +0 -5.45599900 +0 0.5745 O( 624 LYS* 79) 11.46900000 +0 4.59500000 +0 -5.08400000 +0 -0.6502 C( 625 LYS 79) 11.87100000 +0 3.72700000 +0 -7.93700000 +0 -0.2999 C( 626 LYS 79) 12.52100000 +0 3.88600100 +0 -9.30100000 +0 -0.2667 C( 627 LYS 79) 13.40100000 +0 5.12099900 +0 -9.36900000 +0 -0.3323 C( 628 LYS 79) 12.59800000 +0 6.39100000 +0 -9.14800000 +0 -0.1002 N( 629 LYS 79) 13.43900000 +0 7.60699900 +0 -9.31300000 +0 -0.6391 N( 630 LYS* 80) 12.14200000 +0 2.47400000 +0 -4.75900100 +0 -0.5295 C( 631 LYS* 80) 11.46900000 +0 2.32100000 +0 -3.47399900 +0 -0.0109 C( 632 LYS* 80) 10.03500000 +0 2.84900000 +0 -3.47500000 +0 0.6019 O( 633 LYS* 80) 9.65200000 +0 3.64599900 +0 -2.61700100 +0 -0.6865 C( 634 LYS 80) 12.29400100 +0 3.00299900 +0 -2.37599900 +0 -0.2889 C( 635 LYS 80) 13.69899900 +0 2.42200000 +0 -2.24700000 +0 -0.2704 C( 636 LYS 80) 14.48600000 +0 3.02900000 +0 -1.09199900 +0 -0.3132 C( 637 LYS 80) 14.87299900 +0 4.47100000 +0 -1.35899900 +0 -0.1032 N( 638 LYS 80) 15.77300100 +0 4.97300100 +0 -0.28100000 +0 -0.6784 N( 639 GLY* 81) 9.24800000 +0 2.39899900 +0 -4.44500000 +0 -0.5260 C( 640 GLY* 81) 7.85700000 +0 2.81400000 +0 -4.52300100 +0 -0.1792 C( 641 GLY* 81) 7.53300000 +0 3.94700000 +0 -5.47800100 +0 0.5905 O( 642 GLY* 81) 6.41100000 +0 4.03399900 +0 -5.97399900 +0 -0.6426 N( 643 HIS* 82) 8.49800000 +0 4.82500000 +0 -5.73100100 +0 -0.5349 C( 644 HIS* 82) 8.27700000 +0 5.95400000 +0 -6.63700000 +0 0.0196 C( 645 HIS* 82) 8.67400000 +0 5.49200000 +0 -8.03500000 +0 0.5384 O( 646 HIS* 82) 9.59800000 +0 6.02799900 +0 -8.64600000 +0 -0.5851 C( 647 HIS 82) 9.13700000 +0 7.14000000 +0 -6.20200000 +0 -0.2602 C( 648 HIS 82) 8.65900000 +0 8.45700000 +0 -6.72600000 +0 0.0432 N( 649 HIS 82) 7.45300000 +0 9.01300000 +0 -6.34899900 +0 -0.4567 C( 650 HIS 82) 9.21300000 +0 9.32299900 +0 -7.60500000 +0 -0.1601 C( 651 HIS 82) 7.29000000 +0 10.16500000 +0 -6.97500000 +0 0.0647 N( 652 HIS 82) 8.34100000 +0 10.37700000 +0 -7.74200000 +0 -0.3070 N( 653 HIS* 83) 7.94000000 +0 4.50800000 +0 -8.54000000 +0 -0.5604 C( 654 HIS* 83) 8.23000000 +0 3.89100000 +0 -9.82900000 +0 -0.0050 C( 655 HIS* 83) 7.27400000 +0 4.15299900 +0 -10.99300000 +0 0.5696 O( 656 HIS* 83) 7.25000000 +0 3.38100000 +0 -11.95100000 +0 -0.6514 C( 657 HIS 83) 8.34400000 +0 2.38600100 +0 -9.60100000 +0 -0.2790 C( 658 HIS 83) 7.21000000 +0 1.81500000 +0 -8.81000000 +0 0.0650 N( 659 HIS 83) 7.36100000 +0 0.76499900 +0 -7.93200000 +0 -0.4982 C( 660 HIS 83) 5.89500000 +0 2.15299900 +0 -8.76400000 +0 -0.1917 C( 661 HIS 83) 6.19500000 +0 0.47900000 +0 -7.38000000 +0 0.0757 N( 662 HIS 83) 5.29100000 +0 1.30800000 +0 -7.86900000 +0 -0.2712 N( 663 GLU* 84) 6.49800000 +0 5.22800000 +0 -10.93100000 +0 -0.5373 C( 664 GLU* 84) 5.56400000 +0 5.53000000 +0 -12.01200000 +0 0.0013 C( 665 GLU* 84) 6.25900000 +0 5.53700000 +0 -13.37800000 +0 0.5694 O( 666 GLU* 84) 5.75200000 +0 4.95900100 +0 -14.34100000 +0 -0.6235 C( 667 GLU 84) 4.89400000 +0 6.88600100 +0 -11.75900000 +0 -0.2771 C( 668 GLU 84) 3.75200000 +0 7.23800000 +0 -12.71700000 +0 -0.3376 C( 669 GLU 84) 4.23000000 +0 7.60500000 +0 -14.11000000 +0 0.7050 O( 670 GLU 84) 5.16300000 +0 8.42600000 +0 -14.21900000 +0 -0.6840 O( 671 GLU 84) 3.66500000 +0 7.08599900 +0 -15.09700000 +0 -0.4977 N( 672 ALA* 85) 7.41800000 +0 6.17999900 +0 -13.45300000 +0 -0.5643 C( 673 ALA* 85) 8.16700000 +0 6.27500100 +0 -14.70599900 +0 0.0192 C( 674 ALA* 85) 8.57700000 +0 4.91900000 +0 -15.27100000 +0 0.5720 O( 675 ALA* 85) 8.69100000 +0 4.75600000 +0 -16.48600000 +0 -0.6253 C( 676 ALA 85) 9.40400000 +0 7.14700000 +0 -14.50799900 +0 -0.4687 N( 677 GLU* 86) 8.80200000 +0 3.94900000 +0 -14.39300000 +0 -0.5515 C( 678 GLU* 86) 9.20700000 +0 2.62099900 +0 -14.83400000 +0 0.0001 C( 679 GLU* 86) 8.01200000 +0 1.74000100 +0 -15.19700100 +0 0.5599 O( 680 GLU* 86) 8.09200000 +0 0.92600000 +0 -16.11899900 +0 -0.6636 C( 681 GLU 86) 10.03300000 +0 1.92800000 +0 -13.74600000 +0 -0.2786 C( 682 GLU 86) 11.40500100 +0 2.54000000 +0 -13.46600000 +0 -0.3793 C( 683 GLU 86) 11.33500000 +0 3.93300000 +0 -12.86300000 +0 0.7207 O( 684 GLU 86) 10.40500000 +0 4.20200100 +0 -12.07600000 +0 -0.6059 O( 685 GLU 86) 12.22500000 +0 4.75600000 +0 -13.16100000 +0 -0.5804 N( 686 LEU* 87) 6.90400000 +0 1.90700100 +0 -14.48300000 +0 -0.5194 C( 687 LEU* 87) 5.71300000 +0 1.09999900 +0 -14.73800000 +0 -0.0097 C( 688 LEU* 87) 4.96000000 +0 1.48400000 +0 -16.00600100 +0 0.5586 O( 689 LEU* 87) 4.30600000 +0 0.64300000 +0 -16.62200000 +0 -0.6260 C( 690 LEU 87) 4.76000000 +0 1.16900000 +0 -13.54200000 +0 -0.3031 C( 691 LEU 87) 5.31100000 +0 0.61500000 +0 -12.22500000 +0 -0.0537 C( 692 LEU 87) 4.20300000 +0 0.57500000 +0 -11.18700000 +0 -0.4604 C( 693 LEU 87) 5.86700000 +0 -0.78300000 +0 -12.44700000 +0 -0.4628 N( 694 LYS* 88) 5.04700000 +0 2.75100000 +0 -16.39500000 +0 -0.5355 C( 695 LYS* 88) 4.36000000 +0 3.21499900 +0 -17.59100000 +0 0.0103 C( 696 LYS* 88) 4.77600000 +0 2.39899900 +0 -18.81800100 +0 0.5853 O( 697 LYS* 88) 3.92800000 +0 1.81400000 +0 -19.49399900 +0 -0.6457 C( 698 LYS 88) 4.64500000 +0 4.70200100 +0 -17.81800100 +0 -0.3216 C( 699 LYS 88) 3.80700000 +0 5.33900000 +0 -18.91099900 +0 -0.2614 C( 700 LYS 88) 4.16700000 +0 6.80600100 +0 -19.07700000 +0 -0.3196 C( 701 LYS 88) 3.24200000 +0 7.49900000 +0 -20.06100100 +0 -0.1016 N( 702 LYS 88) 1.82800000 +0 7.49100000 +0 -19.58799900 +0 -0.6494 N( 703 PRO* 89) 6.08400000 +0 2.34600000 +0 -19.12299900 +0 -0.4749 C( 704 PRO* 89) 6.50500000 +0 1.56800000 +0 -20.29299900 +0 0.0036 C( 705 PRO* 89) 6.28700000 +0 0.06300000 +0 -20.14400100 +0 0.5545 O( 706 PRO* 89) 5.98100000 +0 -0.62100000 +0 -21.11800000 +0 -0.6149 C( 707 PRO 89) 7.98200000 +0 1.93900000 +0 -20.44700100 +0 -0.2791 C( 708 PRO 89) 8.40100000 +0 2.26100100 +0 -19.04999900 +0 -0.3018 C( 709 PRO 89) 7.23000000 +0 3.05899900 +0 -18.53100000 +0 -0.0443 N( 710 LEU* 90) 6.44300000 +0 -0.45500000 +0 -18.93000000 +0 -0.5569 C( 711 LEU* 90) 6.24700000 +0 -1.88100100 +0 -18.71500000 +0 -0.0084 C( 712 LEU* 90) 4.78800000 +0 -2.25600100 +0 -18.95299900 +0 0.5745 O( 713 LEU* 90) 4.49400000 +0 -3.31800000 +0 -19.50099900 +0 -0.6365 C( 714 LEU 90) 6.67400000 +0 -2.27900000 +0 -17.29999900 +0 -0.3179 C( 715 LEU 90) 6.51100000 +0 -3.76200000 +0 -16.95400000 +0 -0.0327 C( 716 LEU 90) 7.11900000 +0 -4.62700000 +0 -18.04800000 +0 -0.4749 C( 717 LEU 90) 7.18100000 +0 -4.04400000 +0 -15.61400000 +0 -0.4593 N( 718 ALA* 91) 3.87300000 +0 -1.38300000 +0 -18.54500000 +0 -0.5559 C( 719 ALA* 91) 2.45400000 +0 -1.64500000 +0 -18.75099900 +0 0.0413 C( 720 ALA* 91) 2.21000000 +0 -1.71000000 +0 -20.25300000 +0 0.5778 O( 721 ALA* 91) 1.40300000 +0 -2.50200000 +0 -20.73300000 +0 -0.6432 C( 722 ALA 91) 1.61400000 +0 -0.53500000 +0 -18.13000100 +0 -0.4666 N( 723 GLN* 92) 2.92600000 +0 -0.87000000 +0 -20.99399900 +0 -0.5442 C( 724 GLN* 92) 2.79800000 +0 -0.83100000 +0 -22.44300100 +0 0.0136 C( 725 GLN* 92) 3.13900000 +0 -2.20100000 +0 -23.02100000 +0 0.5870 O( 726 GLN* 92) 2.40800000 +0 -2.73500100 +0 -23.85199900 +0 -0.6548 C( 727 GLN 92) 3.74800000 +0 0.22000000 +0 -23.02000000 +0 -0.2915 C( 728 GLN 92) 3.44800000 +0 0.60400000 +0 -24.45200000 +0 -0.3447 C( 729 GLN 92) 2.06400000 +0 1.20200100 +0 -24.59899900 +0 0.6140 O( 730 GLN 92) 1.69500000 +0 2.11700000 +0 -23.86500000 +0 -0.6378 N( 731 GLN 92) 1.29300000 +0 0.69100000 +0 -25.54999900 +0 -0.6120 N( 732 SER* 93) 4.25000000 +0 -2.77000000 +0 -22.56500100 +0 -0.5257 C( 733 SER* 93) 4.70100000 +0 -4.07500000 +0 -23.03800000 +0 -0.0384 C( 734 SER* 93) 3.80900000 +0 -5.23200000 +0 -22.59199900 +0 0.5746 O( 735 SER* 93) 3.65800000 +0 -6.21900000 +0 -23.31300000 +0 -0.6251 C( 736 SER 93) 6.12700000 +0 -4.34100100 +0 -22.55400100 +0 -0.0018 O( 737 SER 93) 7.02700000 +0 -3.37100000 +0 -23.05400100 +0 -0.6172 N( 738 HIS* 94) 3.21800000 +0 -5.09700000 +0 -21.40900000 +0 -0.5369 C( 739 HIS* 94) 2.36300000 +0 -6.13300000 +0 -20.82700000 +0 0.0077 C( 740 HIS* 94) 0.86600000 +0 -6.03900100 +0 -21.11800000 +0 0.5953 O( 741 HIS* 94) 0.15600000 +0 -7.03300000 +0 -20.98799900 +0 -0.6702 C( 742 HIS 94) 2.51400000 +0 -6.14200000 +0 -19.29900000 +0 -0.2853 C( 743 HIS 94) 3.64700000 +0 -6.97500000 +0 -18.78500000 +0 0.0670 N( 744 HIS 94) 3.78100000 +0 -7.28200000 +0 -17.44599900 +0 -0.5067 C( 745 HIS 94) 4.68900000 +0 -7.56800000 +0 -19.41000000 +0 -0.1461 C( 746 HIS 94) 4.85500000 +0 -8.02800000 +0 -17.27199900 +0 0.0807 N( 747 HIS 94) 5.42700000 +0 -8.21800000 +0 -18.44700100 +0 -0.4730 N( 748 ALA* 95) 0.37800000 +0 -4.85900000 +0 -21.49000000 +0 -0.5239 C( 749 ALA* 95) -1.05700000 +0 -4.69100000 +0 -21.70599900 +0 0.0090 C( 750 ALA* 95) -1.52700000 +0 -4.32700100 +0 -23.11000100 +0 0.5637 O( 751 ALA* 95) -2.67800000 +0 -3.91700000 +0 -23.28599900 +0 -0.6086 C( 752 ALA 95) -1.59900000 +0 -3.67200000 +0 -20.70700100 +0 -0.4530 N( 753 THR* 96) -0.65600000 +0 -4.46900000 +0 -24.10199900 +0 -0.5330 C( 754 THR* 96) -1.03000000 +0 -4.15700100 +0 -25.47800100 +0 -0.1154 C( 755 THR 96) -0.62700000 +0 -5.28300000 +0 -26.41900100 +0 0.3951 O( 756 THR* 96) -1.49100000 +0 -5.72200000 +0 -27.20200000 +0 -0.5295 C( 757 THR* 96) -0.37900000 +0 -2.84700000 +0 -25.96900000 +0 0.1736 O( 758 THR 96) 1.04400000 +0 -2.99200100 +0 -25.98300000 +0 -0.6242 C( 759+THR 96) -0.75600000 +0 -1.68900000 +0 -25.05200000 +0 -0.5014 N( 760 LYS* 97) -1.02200000 +0 -9.88000000 +0 -23.77800000 +0 -0.4276 C( 761 LYS* 97) -1.64200000 +0 -9.48500100 +0 -22.48100100 +0 -0.0501 C( 762 LYS* 97) -1.09300000 +0 -10.37400100 +0 -21.37400100 +0 0.5222 O( 763 LYS* 97) -1.30100000 +0 -11.58400000 +0 -21.39200000 +0 -0.6322 C( 764 LYS 97) -3.16400000 +0 -9.65400000 +0 -22.54200000 +0 -0.2608 C( 765 LYS 97) -3.87400000 +0 -8.79500000 +0 -23.57900000 +0 -0.2640 C( 766 LYS 97) -3.69400000 +0 -7.31200000 +0 -23.30600000 +0 -0.3194 C( 767 LYS 97) -4.48000000 +0 -6.47600000 +0 -24.30200000 +0 -0.1120 N( 768 LYS 97) -4.10000000 +0 -6.80200000 +0 -25.70200000 +0 -0.6540 N( 769 ILE* 98) -0.39100000 +0 -9.77400000 +0 -20.41799900 +0 -0.5521 C( 770 ILE* 98) 0.17400000 +0 -10.51600100 +0 -19.29800000 +0 -0.0195 C( 771 ILE* 98) -0.69100000 +0 -10.22900000 +0 -18.07099900 +0 0.5082 O( 772 ILE* 98) -0.58100000 +0 -9.17600100 +0 -17.44700100 +0 -0.4950 C( 773 ILE 98) 1.62700000 +0 -10.07700000 +0 -19.02800000 +0 -0.0811 C( 774 ILE 98) 2.44600000 +0 -10.18900000 +0 -20.32099900 +0 -0.2753 C( 775 ILE 98) 2.24100000 +0 -10.93500000 +0 -17.92600100 +0 -0.4800 C( 776 ILE 98) 2.35500000 +0 -11.55100100 +0 -21.00200100 +0 -0.4621 N( 777 PRO* 99) -1.56800000 +0 -11.17800000 +0 -17.70299900 +0 -0.4954 C( 778 PRO* 99) -2.44600000 +0 -10.98400000 +0 -16.54700100 +0 0.0207 C( 779 PRO* 99) -1.76200000 +0 -10.88100100 +0 -15.19500000 +0 0.5851 O( 780 PRO* 99) -0.63200000 +0 -11.33200100 +0 -15.00900000 +0 -0.6540 C( 781 PRO 99) -3.37900000 +0 -12.18700000 +0 -16.62500000 +0 -0.2927 C( 782 PRO 99) -2.50600000 +0 -13.24500000 +0 -17.18899900 +0 -0.2954 C( 783 PRO 99) -1.76400000 +0 -12.51300000 +0 -18.29100000 +0 -0.0547 N( 784 ILE*100) -2.47300000 +0 -10.27400000 +0 -14.25100000 +0 -0.5731 C( 785 ILE*100) -1.99100000 +0 -10.10700000 +0 -12.88800000 +0 -0.0127 C( 786 ILE*100) -1.62200000 +0 -11.47200000 +0 -12.30800000 +0 0.5764 O( 787 ILE*100) -0.65300000 +0 -11.60300100 +0 -11.56000000 +0 -0.6784 C( 788 ILE 100) -3.08400000 +0 -9.44600000 +0 -12.01900000 +0 -0.0989 C( 789 ILE 100) -3.34200000 +0 -8.02800000 +0 -12.53000000 +0 -0.2614 C( 790 ILE 100) -2.67000000 +0 -9.43499900 +0 -10.55400000 +0 -0.4559 C( 791 ILE 100) -4.60800000 +0 -7.39900000 +0 -11.99600000 +0 -0.4477 N( 792 LYS*101) -2.39700000 +0 -12.49100000 +0 -12.65900000 +0 -0.5586 C( 793 LYS*101) -2.13600000 +0 -13.83800000 +0 -12.18000000 +0 0.0094 C( 794 LYS*101) -0.72000000 +0 -14.29600000 +0 -12.55500000 +0 0.5697 O( 795 LYS*101) -0.04900000 +0 -14.97100000 +0 -11.76900000 +0 -0.6040 C( 796 LYS 101) -3.18000000 +0 -14.78500000 +0 -12.76500000 +0 -0.2943 C( 797 LYS 101) -3.03200000 +0 -16.23500100 +0 -12.37600000 +0 -0.2730 C( 798 LYS 101) -4.14800000 +0 -17.05699900 +0 -13.00300000 +0 -0.3405 C( 799 LYS 101) -4.10800000 +0 -16.99399900 +0 -14.52199900 +0 -0.0864 N( 800 LYS 101) -5.15600000 +0 -17.85000000 +0 -15.14600000 +0 -0.6648 N( 801 TYR*102) -0.26300000 +0 -13.92800000 +0 -13.75100000 +0 -0.5774 C( 802 TYR*102) 1.07800000 +0 -14.30600000 +0 -14.18900000 +0 0.0099 C( 803 TYR*102) 2.13100000 +0 -13.52200000 +0 -13.40600000 +0 0.5631 O( 804 TYR*102) 3.20400000 +0 -14.04200000 +0 -13.10700000 +0 -0.6797 C( 805 TYR 102) 1.24900000 +0 -14.06300000 +0 -15.69400000 +0 -0.3085 C( 806 TYR 102) 0.59300000 +0 -15.09800100 +0 -16.59300000 +0 -0.0574 C( 807 TYR 102) -0.34300000 +0 -16.00799900 +0 -16.09700000 +0 -0.1123 C( 808 TYR 102) 0.88900000 +0 -15.14000000 +0 -17.95299900 +0 -0.1294 C( 809 TYR 102) -0.96600000 +0 -16.93300100 +0 -16.94100000 +0 -0.2462 C( 810 TYR 102) 0.27500000 +0 -16.05500000 +0 -18.80100100 +0 -0.2940 C( 811 TYR 102) -0.65000000 +0 -16.94599900 +0 -18.29299900 +0 0.3241 O( 812 TYR 102) -1.25600000 +0 -17.84000000 +0 -19.14699900 +0 -0.5821 N( 813 LEU*103) 1.82700000 +0 -12.26600000 +0 -13.07700000 +0 -0.5317 C( 814 LEU*103) 2.74900000 +0 -11.45500000 +0 -12.29000000 +0 0.0081 C( 815 LEU*103) 2.89500000 +0 -12.08800000 +0 -10.90700000 +0 0.5463 O( 816 LEU*103) 3.96600000 +0 -12.03100000 +0 -10.29300000 +0 -0.6288 C( 817 LEU 103) 2.22900000 +0 -10.02100000 +0 -12.15200000 +0 -0.3218 C( 818 LEU 103) 2.05100000 +0 -9.26000000 +0 -13.46700000 +0 -0.0449 C( 819 LEU 103) 1.56800000 +0 -7.85100000 +0 -13.16900000 +0 -0.4489 C( 820 LEU 103) 3.36400000 +0 -9.22300000 +0 -14.23500000 +0 -0.4607 N( 821 GLU*104) 1.81100000 +0 -12.68100000 +0 -10.41100000 +0 -0.5517 C( 822 GLU*104) 1.85300000 +0 -13.34800100 +0 -9.11500000 +0 0.0201 C( 823 GLU*104) 2.73700000 +0 -14.59000000 +0 -9.24000000 +0 0.5728 O( 824 GLU*104) 3.55100000 +0 -14.86500000 +0 -8.35700000 +0 -0.6823 C( 825 GLU 104) 0.44000000 +0 -13.74400000 +0 -8.66600000 +0 -0.2831 C( 826 GLU 104) -0.47600000 +0 -12.54800000 +0 -8.44800000 +0 -0.3581 C( 827 GLU 104) -1.88700000 +0 -12.93500000 +0 -8.05000000 +0 0.7329 O( 828 GLU 104) -2.32300000 +0 -14.05700000 +0 -8.38200000 +0 -0.6670 O( 829 GLU 104) -2.56900000 +0 -12.10300100 +0 -7.41900000 +0 -0.6020 N( 830 PHE*105) 2.57900000 +0 -15.33000000 +0 -10.33400000 +0 -0.5304 C( 831 PHE*105) 3.39000000 +0 -16.52800000 +0 -10.54900000 +0 0.0125 C( 832 PHE*105) 4.87900000 +0 -16.18499900 +0 -10.58000000 +0 0.5878 O( 833 PHE*105) 5.69200000 +0 -16.87200000 +0 -9.96000000 +0 -0.7051 C( 834 PHE 105) 3.03400000 +0 -17.22200000 +0 -11.87100000 +0 -0.3227 C( 835 PHE 105) 1.64400000 +0 -17.79700100 +0 -11.92500000 +0 0.0051 C( 836 PHE 105) 0.97000000 +0 -18.17799900 +0 -10.76700000 +0 -0.1752 C( 837 PHE 105) 1.02900000 +0 -17.99900100 +0 -13.15400000 +0 -0.1914 C( 838 PHE 105) -0.30300000 +0 -18.75600100 +0 -10.84000000 +0 -0.1088 C( 839 PHE 105) -0.23400000 +0 -18.57300000 +0 -13.23800000 +0 -0.1264 C( 840 PHE 105) -0.90100000 +0 -18.95200000 +0 -12.07900000 +0 -0.1442 N( 841 ILE*106) 5.25400000 +0 -15.13400000 +0 -11.30500000 +0 -0.5300 C( 842 ILE*106) 6.67000000 +0 -14.79500000 +0 -11.36400000 +0 -0.0349 C( 843 ILE*106) 7.16900000 +0 -14.21300000 +0 -10.03800000 +0 0.5719 O( 844 ILE*106) 8.34100000 +0 -14.36900000 +0 -9.69300000 +0 -0.6579 C( 845 ILE 106) 6.98800000 +0 -13.84200000 +0 -12.54900000 +0 -0.0904 C( 846 ILE 106) 8.48700000 +0 -13.91200000 +0 -12.86200000 +0 -0.2691 C( 847 ILE 106) 6.55900000 +0 -12.41400000 +0 -12.22800000 +0 -0.4709 C( 848 ILE 106) 8.89100000 +0 -13.18300100 +0 -14.12500000 +0 -0.4356 N( 849 SER*107) 6.28900000 +0 -13.55500000 +0 -9.28400000 +0 -0.5377 C( 850 SER*107) 6.69500000 +0 -13.02400000 +0 -7.98800000 +0 -0.0453 C( 851 SER*107) 7.05400000 +0 -14.21000000 +0 -7.09100000 +0 0.5817 O( 852 SER*107) 8.03900000 +0 -14.16700000 +0 -6.35700000 +0 -0.6469 C( 853 SER 107) 5.56800000 +0 -12.21000000 +0 -7.35400000 +0 -0.0296 O( 854 SER 107) 5.31500000 +0 -11.03300000 +0 -8.09900000 +0 -0.5130 N( 855 GLU*108) 6.25000000 +0 -15.26700000 +0 -7.16800000 +0 -0.5442 C( 856 GLU*108) 6.48600000 +0 -16.47699900 +0 -6.38500000 +0 0.0106 C( 857 GLU*108) 7.82100000 +0 -17.11000100 +0 -6.78300000 +0 0.5669 O( 858 GLU*108) 8.58900000 +0 -17.55600000 +0 -5.92400000 +0 -0.6378 C( 859 GLU 108) 5.33200000 +0 -17.46500000 +0 -6.60700000 +0 -0.2822 C( 860 GLU 108) 4.09200000 +0 -17.15500100 +0 -5.76600100 +0 -0.3970 C( 861 GLU 108) 2.78300000 +0 -17.49399900 +0 -6.46100000 +0 0.7412 O( 862 GLU 108) 2.73600000 +0 -18.48000000 +0 -7.22600000 +0 -0.6290 O( 863 GLU 108) 1.79000000 +0 -16.77400000 +0 -6.22699900 +0 -0.5328 N( 864 ALA*109) 8.10400000 +0 -17.12400100 +0 -8.08100000 +0 -0.5473 C( 865 ALA*109) 9.35100000 +0 -17.69700100 +0 -8.58600000 +0 0.0391 C( 866 ALA*109) 10.54900000 +0 -16.88600000 +0 -8.10000000 +0 0.5670 O( 867 ALA*109) 11.59100000 +0 -17.44700100 +0 -7.75700000 +0 -0.6404 C( 868 ALA 109) 9.33200000 +0 -17.73900000 +0 -10.11000000 +0 -0.4663 N( 869 ILE*110) 10.39800000 +0 -15.56700000 +0 -8.07000000 +0 -0.5451 C( 870 ILE*110) 11.47200000 +0 -14.69500000 +0 -7.60700000 +0 -0.0228 C( 871 ILE*110) 11.79600000 +0 -14.98000000 +0 -6.14200000 +0 0.5781 O( 872 ILE*110) 12.95900000 +0 -15.12800000 +0 -5.77000000 +0 -0.6412 C( 873 ILE 110) 11.08200000 +0 -13.20700000 +0 -7.77000000 +0 -0.1048 C( 874 ILE 110) 11.02100000 +0 -12.86600000 +0 -9.25700000 +0 -0.2736 C( 875 ILE 110) 12.08500000 +0 -12.30900000 +0 -7.05100000 +0 -0.4476 C( 876 ILE 110) 10.34800000 +0 -11.54300000 +0 -9.55200000 +0 -0.4276 N( 877 ILE*111) 10.76499900 +0 -15.06300000 +0 -5.31100100 +0 -0.5532 C( 878 ILE*111) 10.96700000 +0 -15.33200000 +0 -3.89399900 +0 -0.0098 C( 879 ILE*111) 11.62500000 +0 -16.69300100 +0 -3.69899900 +0 0.5758 O( 880 ILE*111) 12.55500000 +0 -16.83799900 +0 -2.90300000 +0 -0.6410 C( 881 ILE 111) 9.62400100 +0 -15.31500100 +0 -3.12700100 +0 -0.1079 C( 882 ILE 111) 9.00799900 +0 -13.91700000 +0 -3.18400000 +0 -0.2776 C( 883 ILE 111) 9.83800000 +0 -15.73600000 +0 -1.68100000 +0 -0.4505 C( 884 ILE 111) 9.83300000 +0 -12.85900000 +0 -2.49200100 +0 -0.4298 N( 885 HIS*112) 11.14600000 +0 -17.69000100 +0 -4.43199900 +0 -0.5464 C( 886 HIS*112) 11.70000000 +0 -19.02800000 +0 -4.31100100 +0 0.0089 C( 887 HIS*112) 13.17900000 +0 -19.09700000 +0 -4.67300000 +0 0.6148 O( 888 HIS*112) 13.97300000 +0 -19.70500000 +0 -3.95299900 +0 -0.6844 C( 889 HIS 112) 10.91099900 +0 -20.00200100 +0 -5.18000000 +0 -0.2844 C( 890 HIS 112) 11.40900000 +0 -21.41000000 +0 -5.09400000 +0 0.0704 N( 891 HIS 112) 12.55500000 +0 -21.83000000 +0 -5.73399900 +0 -0.4323 C( 892 HIS 112) 10.95200000 +0 -22.47300000 +0 -4.39800100 +0 -0.1997 C( 893 HIS 112) 12.78200000 +0 -23.09500100 +0 -5.43100000 +0 0.0878 N( 894 HIS 112) 11.82500000 +0 -23.51100000 +0 -4.62200000 +0 -0.3003 N( 895 VAL*113) 13.55500000 +0 -18.47900000 +0 -5.78700100 +0 -0.5252 C( 896 VAL*113) 14.94599900 +0 -18.50300000 +0 -6.21699900 +0 -0.0243 C( 897 VAL*113) 15.85500000 +0 -17.71100000 +0 -5.27700000 +0 0.5806 O( 898 VAL*113) 16.97100100 +0 -18.13500000 +0 -4.98900000 +0 -0.6694 C( 899 VAL 113) 15.08300000 +0 -17.98300000 +0 -7.66800000 +0 -0.0701 C( 900 VAL 113) 16.54800000 +0 -17.78800000 +0 -8.02700000 +0 -0.4639 C( 901 VAL 113) 14.43900000 +0 -18.98300000 +0 -8.63000000 +0 -0.4632 N( 902 LEU*114) 15.38200000 +0 -16.57000000 +0 -4.78800000 +0 -0.5502 C( 903 LEU*114) 16.19599900 +0 -15.78200100 +0 -3.86700100 +0 0.0076 C( 904 LEU*114) 16.45999900 +0 -16.56900000 +0 -2.58900100 +0 0.5759 O( 905 LEU*114) 17.55999900 +0 -16.52199900 +0 -2.04100000 +0 -0.6564 C( 906 LEU 114) 15.50600100 +0 -14.45700000 +0 -3.53400000 +0 -0.3267 C( 907 LEU 114) 15.48000000 +0 -13.43600000 +0 -4.67100000 +0 -0.0485 C( 908 LEU 114) 14.79200000 +0 -12.15800000 +0 -4.22100100 +0 -0.4577 C( 909 LEU 114) 16.89600000 +0 -13.14000000 +0 -5.09800000 +0 -0.4654 N( 910 HIS*115) 15.45299900 +0 -17.28900000 +0 -2.10800000 +0 -0.5389 C( 911 HIS*115) 15.62800000 +0 -18.08300000 +0 -0.89900000 +0 0.0140 C( 912 HIS*115) 16.57099900 +0 -19.25500100 +0 -1.15500100 +0 0.5672 O( 913 HIS*115) 17.39399900 +0 -19.59100000 +0 -0.30400100 +0 -0.6039 C( 914 HIS 115) 14.28700100 +0 -18.62400100 +0 -0.40300000 +0 -0.2609 C( 915 HIS 115) 14.42000000 +0 -19.60900100 +0 0.71800000 +0 0.0546 N( 916 HIS 115) 14.78400000 +0 -19.24200100 +0 1.99500100 +0 -0.3738 C( 917 HIS 115) 14.27500000 +0 -20.95500000 +0 0.73900000 +0 -0.1649 C( 918 HIS 115) 14.85400000 +0 -20.32099900 +0 2.75600100 +0 0.0374 N( 919 HIS 115) 14.55200000 +0 -21.37200000 +0 2.01800000 +0 -0.3101 N( 920 SER*116) 16.44500000 +0 -19.87400100 +0 -2.32500100 +0 -0.5640 C( 921 SER*116) 17.28100000 +0 -21.01700000 +0 -2.67900100 +0 -0.0440 C( 922 SER*116) 18.74799900 +0 -20.63999900 +0 -2.81699900 +0 0.5957 O( 923 SER*116) 19.62700100 +0 -21.37900000 +0 -2.37000100 +0 -0.6609 C( 924 SER 116) 16.79299900 +0 -21.64100100 +0 -3.99200100 +0 -0.0079 O( 925 SER 116) 17.65700000 +0 -22.68400000 +0 -4.41500100 +0 -0.5528 N( 926 ARG*117) 19.00900100 +0 -19.48600000 +0 -3.42400000 +0 -0.5521 C( 927 ARG*117) 20.37400100 +0 -19.03200000 +0 -3.64600000 +0 -0.0114 C( 928 ARG*117) 20.99099900 +0 -18.20400000 +0 -2.52500000 +0 0.5686 O( 929 ARG*117) 22.21700100 +0 -18.12100000 +0 -2.42499900 +0 -0.6768 C( 930 ARG 117) 20.44500000 +0 -18.24399900 +0 -4.95800000 +0 -0.2909 C( 931 ARG 117) 20.08600000 +0 -19.08000000 +0 -6.17700000 +0 -0.2876 C( 932 ARG 117) 20.22500000 +0 -18.30699900 +0 -7.47800000 +0 -0.0838 N( 933 ARG 117) 21.60300100 +0 -17.89600000 +0 -7.72400000 +0 -0.5417 C( 934 ARG 117) 22.16600000 +0 -17.86000100 +0 -8.92900000 +0 0.6176 N( 935 ARG 117) 21.47400100 +0 -18.21200000 +0 -10.00200000 +0 -0.6120 N( 936 ARG 117) 23.42400000 +0 -17.47100100 +0 -9.05800000 +0 -0.6186 N( 937 HIS*118) 20.16000000 +0 -17.59700000 +0 -1.68199900 +0 -0.5163 C( 938 HIS*118) 20.67499900 +0 -16.76000000 +0 -0.60000000 +0 0.0010 C( 939 HIS*118) 19.97800100 +0 -17.04600000 +0 0.72600000 +0 0.5860 O( 940 HIS*118) 19.54299900 +0 -16.12900000 +0 1.41400000 +0 -0.6704 C( 941 HIS 118) 20.48399900 +0 -15.28600000 +0 -0.97699900 +0 -0.2847 C( 942 HIS 118) 20.98399900 +0 -14.95600000 +0 -2.35199900 +0 0.1107 N( 943 HIS 118) 22.32399900 +0 -14.94100000 +0 -2.66700000 +0 -0.2840 C( 944 HIS 118) 20.32000000 +0 -14.70100000 +0 -3.50300000 +0 -0.1505 C( 945 HIS 118) 22.46700100 +0 -14.69500000 +0 -3.95800000 +0 0.0956 N( 946 HIS 118) 21.26899900 +0 -14.54600000 +0 -4.48900000 +0 -0.2979 N( 947 PRO*119) 19.88400100 +0 -18.32799900 +0 1.11200000 +0 -0.4306 C( 948 PRO*119) 19.21500000 +0 -18.66500100 +0 2.37500000 +0 0.0058 C( 949 PRO*119) 19.85300100 +0 -18.07000000 +0 3.62500000 +0 0.5369 O( 950 PRO*119) 19.17100000 +0 -17.83499900 +0 4.62200000 +0 -0.5586 C( 951 PRO 119) 19.24500100 +0 -20.18899900 +0 2.37700100 +0 -0.2743 C( 952 PRO 119) 20.53800000 +0 -20.49000000 +0 1.68100000 +0 -0.2942 C( 953 PRO 119) 20.49399900 +0 -19.52500000 +0 0.50900100 +0 -0.0626 N( 954 GLY*120) 21.15600000 +0 -17.82300000 +0 3.57099900 +0 -0.5599 C( 955 GLY*120) 21.84499900 +0 -17.26900100 +0 4.72300000 +0 -0.1652 C( 956 GLY*120) 21.40399900 +0 -15.87100000 +0 5.11400000 +0 0.5990 O( 957 GLY*120) 21.48000000 +0 -15.49000000 +0 6.28400000 +0 -0.5931 N( 958 ASP*121) 20.92700000 +0 -15.10200000 +0 4.14399900 +0 -0.5655 C( 959 ASP*121) 20.50799900 +0 -13.74000000 +0 4.42300000 +0 0.0071 C( 960 ASP*121) 19.06200000 +0 -13.42200000 +0 4.05699900 +0 0.5858 O( 961 ASP*121) 18.48300000 +0 -12.48200000 +0 4.59300000 +0 -0.6988 C( 962 ASP 121) 21.46299900 +0 -12.77100000 +0 3.71800000 +0 -0.4386 C( 963 ASP 121) 21.73500100 +0 -13.16800000 +0 2.27899900 +0 0.6780 O( 964 ASP 121) 20.94300100 +0 -12.78600000 +0 1.39399900 +0 -0.5819 O( 965 ASP 121) 22.73900000 +0 -13.87500000 +0 2.03400000 +0 -0.4937 N( 966 PHE*122) 18.47600000 +0 -14.21300000 +0 3.16200100 +0 -0.5137 C( 967 PHE*122) 17.09700000 +0 -13.98200000 +0 2.73300000 +0 0.0000 C( 968 PHE*122) 16.12100000 +0 -14.73300000 +0 3.63699900 +0 0.4979 O( 969 PHE*122) 15.55699900 +0 -15.75600100 +0 3.24500100 +0 -0.4232 C( 970 PHE 122) 16.93000000 +0 -14.43000000 +0 1.27800000 +0 -0.2988 C( 971 PHE 122) 15.68600100 +0 -13.90800000 +0 0.60700000 +0 0.0215 C( 972 PHE 122) 15.49000000 +0 -12.54000000 +0 0.44599900 +0 -0.2032 C( 973 PHE 122) 14.72300000 +0 -14.78300000 +0 0.12100000 +0 -0.1371 C( 974 PHE 122) 14.34800000 +0 -12.05100100 +0 -0.20000100 +0 -0.1432 C( 975 PHE 122) 13.58000000 +0 -14.30400000 +0 -0.52800000 +0 -0.1496 C( 976 PHE 122) 13.39300000 +0 -12.93600000 +0 -0.68499900 +0 -0.1871 N( 977 GLY*123) 15.92799900 +0 -14.21200000 +0 4.84600100 +0 -0.5554 C( 978 GLY*123) 15.04000100 +0 -14.84600000 +0 5.80400100 +0 -0.1572 C( 979 GLY*123) 13.61700100 +0 -14.33000000 +0 5.76899900 +0 0.5834 O( 980 GLY*123) 13.18200000 +0 -13.74400000 +0 4.78000100 +0 -0.6181 N( 981 ALA*124) 12.89100000 +0 -14.54200000 +0 6.86100000 +0 -0.5804 C( 982 ALA*124) 11.50400000 +0 -14.11100000 +0 6.95100000 +0 0.0178 C( 983 ALA*124) 11.34800000 +0 -12.60900000 +0 6.76300000 +0 0.5881 O( 984 ALA*124) 10.41900000 +0 -12.15900000 +0 6.09600100 +0 -0.6534 C( 985 ALA 124) 10.91200100 +0 -14.53600000 +0 8.29500000 +0 -0.4665 N( 986 ASP*125) 12.25400000 +0 -11.83700000 +0 7.35199900 +0 -0.5258 C( 987 ASP*125) 12.18700000 +0 -10.38400100 +0 7.24300000 +0 0.0130 C( 988 ASP*125) 12.36100000 +0 -9.92600100 +0 5.79999900 +0 0.5697 O( 989 ASP*125) 11.56900000 +0 -9.13000000 +0 5.29400100 +0 -0.6382 C( 990 ASP 125) 13.26300000 +0 -9.73100000 +0 8.11899900 +0 -0.4495 C( 991 ASP 125) 13.01100000 +0 -9.92300000 +0 9.60600100 +0 0.6853 O( 992 ASP 125) 12.10900000 +0 -10.70800000 +0 9.97000100 +0 -0.5944 O( 993 ASP 125) 13.72700000 +0 -9.29200000 +0 10.41099900 +0 -0.5123 N( 994 ALA*126) 13.39900000 +0 -10.43400000 +0 5.14100100 +0 -0.5261 C( 995 ALA*126) 13.67600100 +0 -10.06100100 +0 3.75700000 +0 0.0203 C( 996 ALA*126) 12.59300000 +0 -10.57100000 +0 2.81300000 +0 0.5702 O( 997 ALA*126) 12.19100000 +0 -9.87200000 +0 1.88200000 +0 -0.6362 C( 998 ALA 126) 15.03700100 +0 -10.59100000 +0 3.33600000 +0 -0.4763 N( 999 GLN*127) 12.11800000 +0 -11.79100000 +0 3.04700100 +0 -0.5558 C( 1000 GLN*127) 11.06900000 +0 -12.34600100 +0 2.20000100 +0 0.0045 C( 1001 GLN*127) 9.79600000 +0 -11.52000000 +0 2.35000000 +0 0.5680 O( 1002 GLN*127) 9.09900000 +0 -11.25400000 +0 1.36800000 +0 -0.6179 C( 1003 GLN 127) 10.80000000 +0 -13.80600000 +0 2.57500100 +0 -0.2900 C( 1004 GLN 127) 12.00099900 +0 -14.71200000 +0 2.37100000 +0 -0.3759 C( 1005 GLN 127) 11.78700100 +0 -16.11000100 +0 2.91799900 +0 0.5544 O( 1006 GLN 127) 12.74300000 +0 -16.86300100 +0 3.11599900 +0 -0.4885 N( 1007 GLN 127) 10.53100000 +0 -16.46700100 +0 3.15900000 +0 -0.7010 N( 1008 GLY*128) 9.49800000 +0 -11.11300000 +0 3.58099900 +0 -0.5393 C( 1009 GLY*128) 8.31400000 +0 -10.31100100 +0 3.82300000 +0 -0.1727 C( 1010 GLY*128) 8.41200000 +0 -8.97300000 +0 3.11800000 +0 0.5879 O( 1011 GLY*128) 7.44200000 +0 -8.50600100 +0 2.51700000 +0 -0.6403 N( 1012 ALA*129) 9.58600000 +0 -8.35500000 +0 3.19300100 +0 -0.5512 C( 1013 ALA*129) 9.81200000 +0 -7.06500000 +0 2.55100100 +0 0.0307 C( 1014 ALA*129) 9.72700000 +0 -7.20000000 +0 1.02899900 +0 0.5640 O( 1015 ALA*129) 9.11700100 +0 -6.36400000 +0 0.36000100 +0 -0.6318 C( 1016 ALA 129) 11.17500000 +0 -6.50200000 +0 2.96400100 +0 -0.4632 N( 1017 MET*130) 10.33400000 +0 -8.25099900 +0 0.48399900 +0 -0.5553 C( 1018 MET*130) 10.29800000 +0 -8.46100000 +0 -0.96100000 +0 -0.0001 C( 1019 MET*130) 8.86500000 +0 -8.72700000 +0 -1.39500000 +0 0.5715 O( 1020 MET*130) 8.43100000 +0 -8.25200100 +0 -2.44400000 +0 -0.6357 C( 1021 MET 130) 11.19300000 +0 -9.63800000 +0 -1.36400000 +0 -0.2933 C( 1022 MET 130) 11.26100000 +0 -9.88900000 +0 -2.87700100 +0 -0.3281 S( 1023 MET 130) 11.90900000 +0 -8.48800000 +0 -3.82900000 +0 0.0134 C( 1024 MET 130) 13.64800100 +0 -8.59600100 +0 -3.43700000 +0 -0.5116 N( 1025 ASN*131) 8.12500000 +0 -9.48500100 +0 -0.59000000 +0 -0.5558 C( 1026 ASN*131) 6.73700000 +0 -9.76200000 +0 -0.92600100 +0 0.0227 C( 1027 ASN*131) 5.92200000 +0 -8.47600000 +0 -0.97699900 +0 0.5787 O( 1028 ASN*131) 5.08100000 +0 -8.31200000 +0 -1.86100000 +0 -0.6417 C( 1029 ASN 131) 6.12000000 +0 -10.75099900 +0 0.06600000 +0 -0.3950 C( 1030 ASN 131) 6.29000000 +0 -12.19100000 +0 -0.38100100 +0 0.6506 O( 1031 ASN 131) 6.03300000 +0 -12.51500000 +0 -1.54100000 +0 -0.6811 N( 1032 ASN 131) 6.71700000 +0 -13.05900000 +0 0.53100000 +0 -0.6243 N( 1033 LYS*132) 6.17700000 +0 -7.56400000 +0 -0.04000100 +0 -0.5413 C( 1034 LYS*132) 5.46700000 +0 -6.28700000 +0 -0.01300000 +0 0.0124 C( 1035 LYS*132) 5.82700000 +0 -5.47000000 +0 -1.24799900 +0 0.5674 O( 1036 LYS*132) 4.95100000 +0 -4.89700000 +0 -1.89900000 +0 -0.6449 C( 1037 LYS 132) 5.82800000 +0 -5.48200000 +0 1.24099900 +0 -0.3107 C( 1038 LYS 132) 5.26600000 +0 -6.03900100 +0 2.53800000 +0 -0.2587 C( 1039 LYS 132) 5.57300000 +0 -5.09900000 +0 3.69700100 +0 -0.3200 C( 1040 LYS 132) 5.01500000 +0 -5.61800000 +0 5.01100000 +0 -0.0831 N( 1041 LYS 132) 5.29100000 +0 -4.66700000 +0 6.12500000 +0 -0.6693 N( 1042 ALA*133) 7.11800000 +0 -5.42300000 +0 -1.56800100 +0 -0.5456 C( 1043 ALA*133) 7.58700000 +0 -4.67200000 +0 -2.72800100 +0 0.0257 C( 1044 ALA*133) 6.96800000 +0 -5.19500000 +0 -4.02199900 +0 0.5716 O( 1045 ALA*133) 6.57000000 +0 -4.41200000 +0 -4.88299900 +0 -0.6570 C( 1046 ALA 133) 9.11300000 +0 -4.72900000 +0 -2.81500100 +0 -0.4689 N( 1047 LEU*134) 6.88500000 +0 -6.51400000 +0 -4.16400000 +0 -0.5368 C( 1048 LEU*134) 6.30700000 +0 -7.09000000 +0 -5.37299900 +0 -0.0105 C( 1049 LEU*134) 4.79500000 +0 -6.91100000 +0 -5.40000000 +0 0.5597 O( 1050 LEU*134) 4.19600000 +0 -6.78500000 +0 -6.47300000 +0 -0.6202 C( 1051 LEU 134) 6.68300000 +0 -8.57100000 +0 -5.49099900 +0 -0.2988 C( 1052 LEU 134) 8.19400000 +0 -8.80100100 +0 -5.62999900 +0 -0.0547 C( 1053 LEU 134) 8.48300000 +0 -10.28700100 +0 -5.71800000 +0 -0.4489 C( 1054 LEU 134) 8.71600000 +0 -8.07700000 +0 -6.87300000 +0 -0.4563 N( 1055 GLU*135) 4.18000000 +0 -6.88900000 +0 -4.22100100 +0 -0.5395 C( 1056 GLU*135) 2.73800000 +0 -6.69400000 +0 -4.13600000 +0 0.0097 C( 1057 GLU*135) 2.43400000 +0 -5.27300000 +0 -4.59000000 +0 0.5844 O( 1058 GLU*135) 1.47900000 +0 -5.04400000 +0 -5.33300000 +0 -0.6522 C( 1059 GLU 135) 2.24200000 +0 -6.89300000 +0 -2.70200000 +0 -0.2869 C( 1060 GLU 135) 0.72700000 +0 -6.80900000 +0 -2.57500100 +0 -0.3240 C( 1061 GLU 135) 0.23900000 +0 -7.06600000 +0 -1.16200100 +0 0.6496 O( 1062 GLU 135) 0.73000000 +0 -8.02700000 +0 -0.53100000 +0 -0.6090 O( 1063 GLU 135) -0.64300000 +0 -6.31600000 +0 -0.68800000 +0 -0.5130 N( 1064 LEU*136) 3.25100000 +0 -4.32200100 +0 -4.14100100 +0 -0.5596 C( 1065 LEU*136) 3.07900000 +0 -2.92000000 +0 -4.52000000 +0 0.0097 C( 1066 LEU*136) 3.23200000 +0 -2.81100000 +0 -6.03500000 +0 0.5824 O( 1067 LEU*136) 2.45700000 +0 -2.12900000 +0 -6.70800000 +0 -0.6329 C( 1068 LEU 136) 4.12800000 +0 -2.05100100 +0 -3.81900000 +0 -0.3274 C( 1069 LEU 136) 4.15300000 +0 -0.55900000 +0 -4.16200100 +0 -0.0295 C( 1070 LEU 136) 2.81700000 +0 0.08200000 +0 -3.80600000 +0 -0.4657 C( 1071 LEU 136) 5.28900000 +0 0.11600000 +0 -3.40099900 +0 -0.4601 N( 1072 PHE*137) 4.23700000 +0 -3.49900100 +0 -6.56100000 +0 -0.5441 C( 1073 PHE*137) 4.50400000 +0 -3.51500000 +0 -7.99100000 +0 0.0290 C( 1074 PHE*137) 3.28000000 +0 -4.00700000 +0 -8.76400000 +0 0.5825 O( 1075 PHE*137) 2.85000000 +0 -3.37300000 +0 -9.72200000 +0 -0.6294 C( 1076 PHE 137) 5.70200000 +0 -4.42300000 +0 -8.27100000 +0 -0.3279 C( 1077 PHE 137) 5.81100000 +0 -4.86900000 +0 -9.69900000 +0 0.0089 C( 1078 PHE 137) 6.13700000 +0 -3.96900000 +0 -10.70600000 +0 -0.1610 C( 1079 PHE 137) 5.58900000 +0 -6.20300000 +0 -10.03800000 +0 -0.1666 C( 1080 PHE 137) 6.24900000 +0 -4.39100000 +0 -12.03300000 +0 -0.1467 C( 1081 PHE 137) 5.69900000 +0 -6.63100100 +0 -11.35500000 +0 -0.1549 C( 1082 PHE 137) 6.02700000 +0 -5.72400000 +0 -12.35300000 +0 -0.1471 N( 1083 ARG*138) 2.71800000 +0 -5.13700000 +0 -8.34600000 +0 -0.5514 C( 1084 ARG*138) 1.55200000 +0 -5.68300100 +0 -9.03200000 +0 -0.0029 C( 1085 ARG*138) 0.33300000 +0 -4.76500000 +0 -8.93300000 +0 0.5599 O( 1086 ARG*138) -0.40600000 +0 -4.60000000 +0 -9.90400000 +0 -0.6082 C( 1087 ARG 138) 1.20800000 +0 -7.07200000 +0 -8.48200000 +0 -0.2811 C( 1088 ARG 138) 2.30600000 +0 -8.11200000 +0 -8.68400000 +0 -0.3070 C( 1089 ARG 138) 1.78900000 +0 -9.51900000 +0 -8.42200000 +0 -0.0590 N( 1090 ARG 138) 1.25000000 +0 -9.68100000 +0 -7.07500000 +0 -0.5860 C( 1091 ARG 138) 1.97500000 +0 -9.97800100 +0 -5.99900100 +0 0.6035 N( 1092 ARG 138) 3.28800000 +0 -10.15400000 +0 -6.09700000 +0 -0.7221 N( 1093 ARG 138) 1.38300000 +0 -10.08600000 +0 -4.81900000 +0 -0.8695 N( 1094 LYS*139) 0.12700000 +0 -4.17000000 +0 -7.76200000 +0 -0.5506 C( 1095 LYS*139) -0.99900000 +0 -3.26800100 +0 -7.55200000 +0 0.0090 C( 1096 LYS*139) -0.90000000 +0 -2.04500000 +0 -8.45400000 +0 0.5850 O( 1097 LYS*139) -1.86800000 +0 -1.67200000 +0 -9.12400000 +0 -0.6635 C( 1098 LYS 139) -1.04700000 +0 -2.81400000 +0 -6.09199900 +0 -0.3167 C( 1099 LYS 139) -2.11600000 +0 -1.76500000 +0 -5.79100000 +0 -0.2562 C( 1100 LYS 139) -2.06300000 +0 -1.32600000 +0 -4.33200100 +0 -0.3213 C( 1101 LYS 139) -3.13700000 +0 -0.29200000 +0 -4.00799900 +0 -0.0871 N( 1102 LYS 139) -2.95800000 +0 0.98500000 +0 -4.75799900 +0 -0.6734 N( 1103 ASP*140) 0.27100000 +0 -1.42000000 +0 -8.47200000 +0 -0.5226 C( 1104 ASP*140) 0.45900000 +0 -0.22800000 +0 -9.28000000 +0 0.0187 C( 1105 ASP*140) 0.45500000 +0 -0.50300000 +0 -10.77600000 +0 0.5575 O( 1106 ASP*140) -0.05900000 +0 0.30299900 +0 -11.55299900 +0 -0.6463 C( 1107 ASP 140) 1.74600000 +0 0.49800000 +0 -8.87400000 +0 -0.3752 C( 1108 ASP 140) 1.63500000 +0 1.16200000 +0 -7.51200000 +0 0.6999 O( 1109 ASP 140) 0.50100000 +0 1.28600000 +0 -6.99900000 +0 -0.5918 O( 1110 ASP 140) 2.67700000 +0 1.57100000 +0 -6.95600000 +0 -0.5957 N( 1111 ILE*141) 1.00600000 +0 -1.63200000 +0 -11.20100000 +0 -0.5237 C( 1112 ILE*141) 1.00300000 +0 -1.90300000 +0 -12.62700000 +0 -0.0347 C( 1113 ILE*141) -0.41500000 +0 -2.25500000 +0 -13.07700000 +0 0.5718 O( 1114 ILE*141) -0.79100000 +0 -1.98700000 +0 -14.21600000 +0 -0.6321 C( 1115 ILE 141) 2.00700000 +0 -3.02100000 +0 -13.01100000 +0 -0.0968 C( 1116 ILE 141) 2.29300000 +0 -2.94600000 +0 -14.51400000 +0 -0.2654 C( 1117 ILE 141) 1.45700000 +0 -4.38400000 +0 -12.63900000 +0 -0.4722 C( 1118 ILE 141) 3.41200000 +0 -3.84500000 +0 -14.98300000 +0 -0.4309 N( 1119 ALA*142) -1.20900000 +0 -2.83700000 +0 -12.17900000 +0 -0.5590 C( 1120 ALA*142) -2.58700000 +0 -3.17600100 +0 -12.51400000 +0 0.0259 C( 1121 ALA*142) -3.32900000 +0 -1.87600000 +0 -12.81300000 +0 0.5692 O( 1122 ALA*142) -4.18900000 +0 -1.82800000 +0 -13.69300000 +0 -0.6166 C( 1123 ALA 142) -3.25600000 +0 -3.91200000 +0 -11.35500000 +0 -0.4644 N( 1124 ALA*143) -2.98800000 +0 -0.82300000 +0 -12.07500000 +0 -0.5535 C( 1125 ALA*143) -3.61000000 +0 0.48000000 +0 -12.27900000 +0 0.0259 C( 1126 ALA*143) -3.25600000 +0 0.98800000 +0 -13.67600000 +0 0.5739 O( 1127 ALA*143) -4.10500000 +0 1.54000000 +0 -14.38000000 +0 -0.6477 C( 1128 ALA 143) -3.13200000 +0 1.46799900 +0 -11.21600000 +0 -0.4682 N( 1129 LYS*144) -1.99900000 +0 0.80299900 +0 -14.07600000 +0 -0.5392 C( 1130 LYS*144) -1.55500000 +0 1.22600100 +0 -15.40200000 +0 0.0054 C( 1131 LYS*144) -2.27900000 +0 0.40400000 +0 -16.47200000 +0 0.5549 O( 1132 LYS*144) -2.65000000 +0 0.92600000 +0 -17.52700000 +0 -0.6217 C( 1133 LYS 144) -0.03700000 +0 1.05900000 +0 -15.53200000 +0 -0.2982 C( 1134 LYS 144) 0.77300000 +0 2.04099900 +0 -14.68800000 +0 -0.2749 C( 1135 LYS 144) 0.54400000 +0 3.47700000 +0 -15.14500000 +0 -0.2796 C( 1136 LYS 144) 1.42800000 +0 4.45900100 +0 -14.39300000 +0 -0.1012 N( 1137 LYS 144) 1.21300000 +0 5.85600000 +0 -14.86600000 +0 -0.6821 N( 1138 TYR*145) -2.47300000 +0 -0.88200000 +0 -16.19500000 +0 -0.5512 C( 1139 TYR*145) -3.18500000 +0 -1.77400000 +0 -17.10900100 +0 0.0225 C( 1140 TYR*145) -4.56700000 +0 -1.19100000 +0 -17.38299900 +0 0.5902 O( 1141 TYR*145) -4.99200000 +0 -1.05700000 +0 -18.53100000 +0 -0.6485 C( 1142 TYR 145) -3.40200000 +0 -3.14900000 +0 -16.46999900 +0 -0.3387 C( 1143 TYR 145) -2.26300000 +0 -4.14300100 +0 -16.54299900 +0 -0.0468 C( 1144 TYR 145) -0.99100000 +0 -3.77700000 +0 -16.97300000 +0 -0.0875 C( 1145 TYR 145) -2.47300000 +0 -5.46700000 +0 -16.16099900 +0 -0.1378 C( 1146 TYR 145) 0.04500000 +0 -4.71600100 +0 -17.02100000 +0 -0.3035 C( 1147 TYR 145) -1.45500000 +0 -6.40400000 +0 -16.20400000 +0 -0.2531 C( 1148 TYR 145) -0.20100000 +0 -6.02800000 +0 -16.63299900 +0 0.2945 O( 1149 TYR 145) 0.80300000 +0 -6.97000000 +0 -16.67100000 +0 -0.4853 N( 1150 LYS*146) -5.27000000 +0 -0.86900000 +0 -16.30200000 +0 -0.5278 C( 1151 LYS*146) -6.62100000 +0 -0.33300000 +0 -16.38999900 +0 -0.0097 C( 1152 LYS*146) -6.71500000 +0 0.97800000 +0 -17.15000000 +0 0.5802 O( 1153 LYS*146) -7.70700000 +0 1.22400000 +0 -17.83300000 +0 -0.6605 C( 1154 LYS 146) -7.21600000 +0 -0.17900000 +0 -14.98800000 +0 -0.2921 C( 1155 LYS 146) -7.38500000 +0 -1.51000000 +0 -14.26300000 +0 -0.2663 C( 1156 LYS 146) -8.01400000 +0 -1.33400100 +0 -12.89300000 +0 -0.2866 C( 1157 LYS 146) -8.15399900 +0 -2.67000000 +0 -12.17799900 +0 -0.1228 N( 1158 LYS 146) -8.76800000 +0 -2.51700000 +0 -10.83000000 +0 -0.6814 N( 1159 GLU*147) -5.69100000 +0 1.82000100 +0 -17.04100000 +0 -0.5287 C( 1160 GLU*147) -5.69700000 +0 3.08900000 +0 -17.75600100 +0 0.0014 C( 1161 GLU*147) -5.71400000 +0 2.83100000 +0 -19.25700000 +0 0.5721 O( 1162 GLU*147) -6.19300000 +0 3.65800000 +0 -20.03300100 +0 -0.6296 C( 1163 GLU 147) -4.47100000 +0 3.91700100 +0 -17.38000100 +0 -0.2925 C( 1164 GLU 147) -4.51900000 +0 4.42999900 +0 -15.95500000 +0 -0.3248 C( 1165 GLU 147) -3.32000000 +0 5.27900000 +0 -15.58700000 +0 0.6429 O( 1166 GLU 147) -3.30400000 +0 5.80700000 +0 -14.45700000 +0 -0.6057 O( 1167 GLU 147) -2.39700000 +0 5.41800000 +0 -16.41799900 +0 -0.5083 N( 1168 LEU*148) -5.19800000 +0 1.67100000 +0 -19.65700000 +0 -0.5408 C( 1169 LEU*148) -5.15000000 +0 1.28799900 +0 -21.06200000 +0 0.0008 C( 1170 LEU*148) -6.36000000 +0 0.44400000 +0 -21.45800000 +0 0.5496 O( 1171 LEU*148) -6.43700000 +0 -0.05700000 +0 -22.57900000 +0 -0.5815 C( 1172 LEU 148) -3.85900000 +0 0.51400000 +0 -21.35100000 +0 -0.3200 C( 1173 LEU 148) -2.55900000 +0 1.30499900 +0 -21.17799900 +0 -0.0445 C( 1174 LEU 148) -1.36400000 +0 0.37599900 +0 -21.33000000 +0 -0.4573 C( 1175 LEU 148) -2.50600000 +0 2.42800000 +0 -22.20800000 +0 -0.4709 N( 1176 GLY*149) -7.29900000 +0 0.28700000 +0 -20.52800000 +0 -0.5458 C( 1177 GLY*149) -8.50099900 +0 -0.48000000 +0 -20.80900000 +0 -0.1548 C( 1178 GLY*149) -8.40300000 +0 -1.97800000 +0 -20.58400000 +0 0.6095 O( 1179 GLY*149) -9.33099900 +0 -2.71800000 +0 -20.91799900 +0 -0.7070 N( 1180 TYR*150) -7.28800000 +0 -2.42500000 +0 -20.01400000 +0 -0.5078 C( 1181 TYR*150) -7.06000000 +0 -3.84200000 +0 -19.74000000 +0 0.0000 C( 1182 TYR*150) -7.17400000 +0 -4.08800000 +0 -18.23600000 +0 0.5387 O( 1183 TYR*150) -6.49000000 +0 -3.44500000 +0 -17.44500000 +0 -0.5646 C( 1184 TYR 150) -5.66800000 +0 -4.23700000 +0 -20.24900100 +0 -0.3066 C( 1185 TYR 150) -5.25000000 +0 -5.66000000 +0 -19.94100000 +0 -0.0216 C( 1186 TYR 150) -6.06400000 +0 -6.73900000 +0 -20.28900000 +0 -0.1273 C( 1187 TYR 150) -4.03300000 +0 -5.92600100 +0 -19.31600000 +0 -0.0981 C( 1188 TYR 150) -5.67300000 +0 -8.05000000 +0 -20.02000000 +0 -0.2360 C( 1189 TYR 150) -3.63300000 +0 -7.23000000 +0 -19.04400100 +0 -0.2793 C( 1190 TYR 150) -4.45800000 +0 -8.28500000 +0 -19.39400100 +0 0.2377 O( 1191 TYR 150) -4.06700000 +0 -9.57400000 +0 -19.10599900 +0 -0.5805 N( 1192 GLN*151) -8.03800000 +0 -5.01700000 +0 -17.84300000 +0 -0.5869 C( 1193 GLN*151) -8.22400100 +0 -5.30100100 +0 -16.42400000 +0 0.0023 C( 1194 GLN*151) -7.16300000 +0 -6.22300100 +0 -15.83700000 +0 0.5480 O( 1195 GLN*151) -7.02000000 +0 -6.31200000 +0 -14.61700100 +0 -0.5575 C( 1196 GLN 151) -9.61400000 +0 -5.89800000 +0 -16.18000000 +0 -0.2804 C( 1197 GLN 151) -10.76199900 +0 -4.95100000 +0 -16.50700000 +0 -0.3617 C( 1198 GLN 151) -10.64200000 +0 -3.61500000 +0 -15.79500000 +0 0.6127 O( 1199 GLN 151) -10.58799900 +0 -3.55200000 +0 -14.56800000 +0 -0.6825 N( 1200 GLN 151) -10.60199900 +0 -2.53600000 +0 -16.56600000 +0 -0.6143 N( 1201 GLY*152) -6.41500000 +0 -6.90000000 +0 -16.70400000 +0 -0.5486 C( 1202 GLY*152) -5.38100000 +0 -7.80500000 +0 -16.23700000 +0 -0.1345 C( 1203 GLY*152) -5.95000000 +0 -9.05900000 +0 -15.59800000 +0 0.7118 O( 1204 GLY*152) -5.17800000 +0 -9.79600000 +0 -14.95300000 +0 -0.7288 O( 1205 GLY 152) -7.16500000 +0 -9.31300000 +0 -15.75000000 +0 -0.5105 Cr( 1206 Cr ) 7.00600000 +0 -9.64900000 +0 -18.43800000 +0 1.2035 P( 1207 PO4 153) 6.00400000 +0 7.70900100 +0 -3.09499900 +0 0.4201 O( 1208 PO4 153) 4.65400000 +0 7.58299900 +0 -3.70100000 +0 -0.4587 O( 1209 PO4 153) 6.77000000 +0 6.45700000 +0 -3.32399900 +0 -0.3551 O( 1210 PO4 153) 5.87100000 +0 7.95000000 +0 -1.63400100 +0 -0.4310 O( 1211 PO4 153) 6.72200000 +0 8.84800100 +0 -3.71900000 +0 -0.3365 P( 1212 PO4 154) 15.71700100 +0 -25.46600000 +0 -5.90200000 +0 0.4230 O( 1213 PO4 154) 16.98300000 +0 -25.09199900 +0 -6.57800000 +0 -0.4532 O( 1214 PO4 154) 15.53500000 +0 -26.93899900 +0 -5.96500000 +0 -0.3059 O( 1215 PO4 154) 14.58099900 +0 -24.80300100 +0 -6.58200000 +0 -0.3923 O( 1216 PO4 154) 15.76899900 +0 -25.03599900 +0 -4.48200000 +0 -0.4405 P( 1217 PO4 155) 25.34600100 +0 -15.21400000 +0 -0.78200000 +0 0.2637 O( 1218 PO4 155) 25.55000100 +0 -15.40400000 +0 -2.24200100 +0 -0.5493 O( 1219 PO4 155) 26.04200000 +0 -16.29999900 +0 -0.04200000 +0 -0.3970 O( 1220 PO4 155) 23.89400100 +0 -15.25700000 +0 -0.47300000 +0 -0.5173 O( 1221 PO4 155) 25.90200000 +0 -13.89600000 +0 -0.37100000 +0 -0.4153 P( 1222 PO4 156) 26.12000100 +0 -10.34600100 +0 4.20500000 +0 0.2372 O( 1223 PO4 156) 24.87300100 +0 -10.90000000 +0 4.79000100 +0 -0.3329 O( 1224 PO4 156) 26.24300000 +0 -8.91100000 +0 4.56699900 +0 -0.4161 O( 1225 PO4 156) 26.07500100 +0 -10.47900000 +0 2.72699900 +0 -0.7302 O( 1226 PO4 156) 27.29000100 +0 -11.09200000 +0 4.73399900 +0 -0.3311 P( 1227 PO4 157) 15.51600100 +0 -8.36300000 +0 -31.75199900 +0 0.4491 O( 1228 PO4 157) 16.80999900 +0 -8.50600100 +0 -32.46400100 +0 -0.4871 O( 1229 PO4 157) 15.47900000 +0 -9.30100100 +0 -30.60000000 +0 -0.4034 O( 1230 PO4 157) 14.40100000 +0 -8.67300000 +0 -32.68000000 +0 -0.2425 O( 1231 PO4 157) 15.37500000 +0 -6.96700000 +0 -31.26000000 +0 -0.4016 P( 1232 PO4 158) 13.77000000 +0 -32.13000100 +0 -17.17900100 +0 0.4932 O( 1233 PO4 158) 15.02500000 +0 -32.68299900 +0 -17.74700000 +0 -0.4997 O( 1234 PO4 158) 13.30900000 +0 -32.99399900 +0 -16.06200000 +0 -0.3932 O( 1235 PO4 158) 12.72500000 +0 -32.08499900 +0 -18.23400100 +0 -0.3416 O( 1236 PO4 158) 14.02100000 +0 -30.75799900 +0 -16.67200100 +0 -0.3275 O( 1237 O ) 7.64200000 +0 -9.08100000 +0 -16.79299900 +0 -0.5173 C( 1238 C ) 8.55200000 +0 -8.11200000 +0 -16.44300100 +0 0.0375 C( 1239 C ) 8.74600000 +0 -7.87300000 +0 -15.07300000 +0 -0.1514 C( 1240 C ) 9.67000000 +0 -6.90800000 +0 -14.68499900 +0 -0.2728 C( 1241 C ) 10.39100000 +0 -6.18700000 +0 -15.62200000 +0 -0.2932 C( 1242 C ) 10.19700100 +0 -6.42200000 +0 -16.98200000 +0 -0.2570 C( 1243 C ) 9.28400000 +0 -7.37100000 +0 -17.43100000 +0 -0.2233 C( 1244 C ) 9.04100000 +0 -7.53000000 +0 -18.84600100 +0 -0.0644 N( 1245 N ) 8.12200000 +0 -8.25700000 +0 -19.39300000 +0 -0.4569 C( 1246 C ) 7.93400000 +0 -8.33500000 +0 -20.81399900 +0 0.0470 C( 1247 C ) 8.51600000 +0 -7.44200000 +0 -21.71900000 +0 -0.3186 C( 1248 C ) 8.25200000 +0 -7.52700000 +0 -23.08400000 +0 -0.2819 C( 1249 C ) 7.39700000 +0 -8.52900000 +0 -23.55500000 +0 -0.2729 C( 1250 C ) 6.81800000 +0 -9.42300000 +0 -22.65000000 +0 -0.3198 C( 1251 C ) 7.08400000 +0 -9.33600000 +0 -21.28599900 +0 0.0451 N( 1252 N ) 6.52900000 +0 -10.22900000 +0 -20.30699900 +0 -0.4088 C( 1253 C ) 6.08300000 +0 -11.40600000 +0 -20.60500000 +0 -0.1380 C( 1254 C ) 5.52600000 +0 -12.37300000 +0 -19.69100000 +0 -0.2154 C( 1255 C ) 5.06400000 +0 -13.59100100 +0 -20.16700000 +0 -0.3357 C( 1256 C ) 4.56100000 +0 -14.55900000 +0 -19.30999900 +0 -0.2996 C( 1257 C ) 4.51800000 +0 -14.32000000 +0 -17.94599900 +0 -0.3088 C( 1258 C ) 4.96600000 +0 -13.11700100 +0 -17.41099900 +0 -0.1980 C( 1259 C ) 5.46900000 +0 -12.14300000 +0 -18.27500000 +0 0.4733 O( 1260 O ) 5.87700000 +0 -10.95700100 +0 -17.72100100 +0 -0.4867 C( 1261 C ) 4.90600000 +0 -12.92400000 +0 -15.92799900 +0 -0.4411 C( 1262 C ) 7.98700000 +0 -8.60700000 +0 -14.01200000 +0 -0.4218 O( 1263 HOH 159) -5.11300000 +0 -12.02900000 +0 -13.48300000 +0 -0.7432 O( 1264 HOH 160) 18.32200100 +0 -14.77700000 +0 -17.52500000 +0 -0.7576 O( 1265 HOH 161) 25.33100100 +0 -10.10600000 +0 -13.04500000 +0 -0.7354 O( 1266 O ) 8.44600000 +0 -11.03500000 +0 -18.48399900 +0 -0.8998 O( 1267 HOH 162) 9.48200000 +0 0.10400000 +0 -6.15600000 +0 -0.7854 O( 1268 HOH 163) 18.70700100 +0 -19.79900000 +0 -20.85899900 +0 -0.7619 O( 1269 HOH 164) -8.16300000 +0 -11.89700000 +0 -15.95599900 +0 -0.7125 O( 1270 HOH 165) 26.41500100 +0 -13.94500000 +0 -14.91700000 +0 -0.7203 O( 1271 HOH 166) 14.10000000 +0 -17.96299900 +0 -31.62100000 +0 -0.7160 O( 1272 HOH 167) 9.22700000 +0 -14.60000000 +0 -27.61000100 +0 -0.7523 O( 1273 HOH 168) 12.13100100 +0 -0.63300000 +0 -14.99000000 +0 -0.7888 O( 1274 HOH 169) 13.88200000 +0 -13.07900000 +0 -25.53800000 +0 -0.7521 O( 1275 HOH 170) -1.06800000 +0 -22.53700100 +0 -13.35200000 +0 -0.8036 O( 1276 HOH 171) 14.84499900 +0 -22.79600000 +0 -11.39300000 +0 -0.7852 O( 1277 HOH 172) 16.03599900 +0 2.98599900 +0 -10.63000000 +0 -0.7634 O( 1278 HOH 173) -1.62200000 +0 -16.35500000 +0 -9.46400000 +0 -0.7267 O( 1279 HOH 174) 24.65500100 +0 -13.89300000 +0 -6.29200000 +0 -0.7983 O( 1280 HOH 175) -4.75600000 +0 -14.12600000 +0 -9.44700000 +0 -0.7227 O( 1281 HOH 176) 13.56100000 +0 -21.79200000 +0 -1.99700000 +0 -0.7075 O( 1282 HOH 177) 15.11400000 +0 -12.64600000 +0 -27.89200000 +0 -0.7680 O( 1283 HOH 178) 25.17000000 +0 -17.54200000 +0 -14.53900000 +0 -0.7636 O( 1284 HOH 179) 6.10500000 +0 -19.65900000 +0 -9.90500000 +0 -0.7292 O( 1285 HOH 180) 3.82700000 +0 -20.44700100 +0 -8.34100000 +0 -0.7453 O( 1286 HOH 181) 11.18100000 +0 -12.99800000 +0 -26.38900000 +0 -0.7788 O( 1287 HOH 182) 17.64300000 +0 3.35300000 +0 -4.08000000 +0 -0.7655 O( 1288 HOH 183) 17.65399900 +0 -3.03700000 +0 6.52300100 +0 -0.7415 O( 1289 HOH 184) 18.66700000 +0 -8.91200100 +0 -22.23200000 +0 -0.7357 O( 1290 HOH 185) 4.32100000 +0 -10.53800000 +0 -3.50300000 +0 -0.7159 O( 1291 HOH 186) 8.75900000 +0 -2.98500100 +0 -21.04100000 +0 -0.7182 O( 1292 HOH 187) 5.64800000 +0 11.18100100 +0 -3.30900000 +0 -0.7084 O( 1293 HOH 188) 3.83200000 +0 -24.55300100 +0 -22.27700000 +0 -0.7429 O( 1294 HOH 189) 2.89700000 +0 -25.26400000 +0 -9.90600000 +0 -0.7130 O( 1295 HOH 190) 24.64200000 +0 -6.11600000 +0 -12.15000000 +0 -0.7173 O( 1296 HOH 191) 12.74800000 +0 -24.91099900 +0 -11.48700000 +0 -0.7130 O( 1297 HOH 192) 17.88600000 +0 -21.14200000 +0 -7.99900000 +0 -0.7466 O( 1298 HOH 193) 14.68800000 +0 -3.98900000 +0 -18.65000000 +0 -0.6987 O( 1299 HOH 194) 13.00600100 +0 2.10699900 +0 8.58000000 +0 -0.6991 O( 1300 HOH 195) -6.21700000 +0 2.91400100 +0 -13.16500000 +0 -0.7440 O( 1301 HOH 196) 23.73400100 +0 -16.69899900 +0 -6.41600000 +0 -0.8303 O( 1302 HOH 197) 7.12300000 +0 2.37499900 +0 0.52000000 +0 -0.6823 O( 1303 HOH 198) 10.73700000 +0 -4.98800000 +0 -20.70800000 +0 -0.6788 O( 1304 HOH 199) -0.78600000 +0 3.12400000 +0 -18.53599900 +0 -0.7261 O( 1305 HOH 200) 16.00300000 +0 -8.43100000 +0 9.25700000 +0 -0.7631 O( 1306 HOH 201) -4.42800000 +0 -1.38600000 +0 -8.40700000 +0 -0.7273 O( 1307 HOH 202) 19.00200100 +0 -5.14500000 +0 -11.42300000 +0 -0.7439 O( 1308 HOH 203) -5.51200000 +0 -11.58000000 +0 -20.09000000 +0 -0.7344 O( 1309 HOH 204) -1.54400000 +0 -9.59800000 +0 -7.18700000 +0 -0.7965 O( 1310 HOH 205) 7.41000000 +0 -1.92100000 +0 -5.72200000 +0 -0.7393 O( 1311 HOH 206) 18.04800000 +0 -9.99500100 +0 5.19899900 +0 -0.7061 O( 1312 HOH 207) 10.23700000 +0 -0.29500000 +0 -17.10599900 +0 -0.7646 O( 1313 HOH 208) 18.35100000 +0 -8.72100100 +0 2.68400000 +0 -0.7305 O( 1314 HOH 209) 21.67799900 +0 -12.69500000 +0 -22.07200100 +0 -0.7528 O( 1315 HOH 210) 19.30400100 +0 -0.49300000 +0 -11.55500000 +0 -0.7268 O( 1316 HOH 211) 18.61400000 +0 -2.58100000 +0 -13.07400000 +0 -0.7328 O( 1317 HOH 212) 21.26899900 +0 -10.03300000 +0 -22.31900000 +0 -0.7303 O( 1318 HOH 213) -9.76299900 +0 -6.63100100 +0 -19.39400100 +0 -0.7471 O( 1319 HOH 214) 20.30600000 +0 -3.09600000 +0 -4.91500100 +0 -0.7560 O( 1320 HOH 215) 1.32000000 +0 -25.45500000 +0 -22.91500100 +0 -0.7141 O( 1321 HOH 216) 23.89700100 +0 -17.62800000 +0 -17.09300000 +0 -0.7357 O( 1322 HOH 217) 5.49500000 +0 8.91800000 +0 0.83499900 +0 -0.6688 O( 1323 HOH 218) 4.59800000 +0 -23.35400000 +0 -24.60500000 +0 -0.7636 O( 1324 HOH 219) 13.95900000 +0 0.67299900 +0 -16.41900100 +0 -0.7213 O( 1325 HOH 220) 6.27300000 +0 -15.90400000 +0 0.03000100 +0 -0.7116 O( 1326 HOH 221) 6.27800000 +0 7.43200000 +0 -8.83000000 +0 -0.7259 O( 1327 HOH 222) 14.96500000 +0 4.24800000 +0 -12.87800000 +0 -0.7426 O( 1328 HOH 223) 18.17000000 +0 3.55899900 +0 -1.40000000 +0 -0.7419 O( 1329 HOH 224) 12.93100000 +0 -6.37800000 +0 9.89699900 +0 -0.7480 O( 1330 HOH 225) -5.08900000 +0 -4.59400000 +0 -27.13700100 +0 -0.7446 O( 1331 HOH 226) -4.95700000 +0 5.30199900 +0 -21.58400000 +0 -0.7275 O( 1332 HOH 227) 24.21200000 +0 -7.17000000 +0 -0.47500000 +0 -0.7524 O( 1333 HOH 228) 0.30000000 +0 2.94300000 +0 -11.00200000 +0 -0.7281 O( 1334 HOH 229) 23.37500000 +0 -17.81100100 +0 1.74700000 +0 -0.7317 O( 1335 HOH 230) 22.04700100 +0 -26.74700000 +0 -20.99399900 +0 -0.7499 O( 1336 HOH 231) 19.71999900 +0 -4.50600100 +0 5.08799900 +0 -0.7420 O( 1337 HOH 232) 12.89699900 +0 6.97000000 +0 -4.75000000 +0 -0.7396 O( 1338 HOH 233) 20.41099900 +0 -10.09100000 +0 1.46900000 +0 -0.7855 O( 1339 HOH 234) 8.45900000 +0 7.05400000 +0 -0.03800000 +0 -0.7063 O( 1340 HOH 235) -1.08700000 +0 -3.20700000 +0 -29.51400000 +0 -0.6768 O( 1341 HOH 236) 18.30900000 +0 1.98500000 +0 -11.77700000 +0 -0.7532 O( 1342 HOH 237) -9.08499900 +0 -8.85400000 +0 -17.88800000 +0 -0.7463 O( 1343 HOH 238) -3.39900000 +0 -21.86000100 +0 -11.87400000 +0 -0.7191 O( 1344 HOH 239) 1.40900000 +0 2.61399900 +0 -20.30200000 +0 -0.7390 O( 1345 HOH 240) 17.92000000 +0 -24.55900000 +0 -26.17200100 +0 -0.7022 O( 1346 HOH 241) -0.69100000 +0 -18.35500000 +0 -21.74200100 +0 -0.7321 O( 1347 HOH 242) 5.62400000 +0 -16.65300000 +0 -2.50000000 +0 -0.7299 O( 1348 HOH 243) 11.98500100 +0 1.71400000 +0 -18.07200100 +0 -0.7185 O( 1349 HOH 244) -4.20000000 +0 -12.85000000 +0 -5.54800000 +0 -0.6500 O( 1350 HOH 245) 20.17600100 +0 -6.26300000 +0 -13.76600000 +0 -0.7041 O( 1351 HOH 246) 8.44900000 +0 6.62099900 +0 -18.49900100 +0 -0.7052 O( 1352 HOH 247) 12.62300000 +0 -25.21500000 +0 -8.80400000 +0 -0.7467 O( 1353 HOH 248) 2.39900000 +0 -16.51000000 +0 -28.10599900 +0 -0.7324 O( 1354 HOH 249) 9.46200000 +0 -9.33000000 +0 9.97100100 +0 -0.7079 O( 1355 HOH 250) -0.64300000 +0 0.96600000 +0 -27.57399900 +0 -0.6977 O( 1356 HOH 251) 14.61200000 +0 -24.37599900 +0 -2.28599900 +0 -0.7298 O( 1357 HOH 252) 13.90600000 +0 -3.75200000 +0 8.55800100 +0 -0.7195 O( 1358 HOH 253) 19.52100000 +0 -22.78300100 +0 -6.36800000 +0 -0.7354 O( 1359 HOH 254) -3.67900000 +0 -18.18100000 +0 -9.46500000 +0 -0.7413 O( 1360 HOH 255) 24.61700100 +0 -14.91700000 +0 4.14600000 +0 -0.7024 O( 1361 HOH 256) 17.18499900 +0 -31.84299900 +0 -23.54299900 +0 -0.7312 O( 1362 HOH 257) 9.64900000 +0 -11.17800000 +0 -25.03500000 +0 -0.7209 O( 1363 HOH 258) -4.35400000 +0 3.26399900 +0 -25.65200000 +0 -0.7088 O( 1364 HOH 259) 19.51199900 +0 -26.60300100 +0 -27.01000000 +0 -0.7346 O( 1365 HOH 260) 27.27400000 +0 -10.93800000 +0 -4.08799900 +0 -0.6652 O( 1366 HOH 261) 5.51700000 +0 -12.18500000 +0 -24.07399900 +0 -0.7442 O( 1367 HOH 262) 0.81600000 +0 2.54499900 +0 -2.10400000 +0 -0.7077 O( 1368 HOH 263) 4.93000000 +0 -14.25700000 +0 -3.75200100 +0 -0.7140 O( 1369 HOH 264) 7.06200000 +0 -25.84700000 +0 -19.11700100 +0 -0.7294 O( 1370 HOH 265) 1.38000000 +0 -19.56200000 +0 -27.89300000 +0 -0.7537 O( 1371 HOH 266) 17.46100000 +0 -22.84000000 +0 0.35700000 +0 -0.7325 O( 1372 HOH 267) 8.04400000 +0 -13.49600000 +0 5.65700000 +0 -0.7127 O( 1373 HOH 268) 19.86100000 +0 2.10200000 +0 -5.05400100 +0 -0.7404 O( 1374 HOH 269) -0.59600000 +0 -17.70900000 +0 -7.29400000 +0 -0.7006 O( 1375 HOH 270) 9.96300000 +0 -20.89300000 +0 -31.27999900 +0 -0.7027 O( 1376 HOH 271) 17.12000100 +0 4.74299900 +0 -8.89400000 +0 -0.7317 O( 1377 HOH 272) 13.54700000 +0 -10.50400000 +0 -24.31100100 +0 -0.7304 O( 1378 HOH 273) 26.67600100 +0 -15.22800000 +0 -7.57700000 +0 -0.7180 O( 1379 HOH 274) 23.45600100 +0 -21.17700000 +0 -19.14300000 +0 -0.7085 O( 1380 HOH 275) 6.47600000 +0 -28.77400000 +0 -15.46200000 +0 -0.7336 O( 1381 HOH 276) 17.03400000 +0 -31.10100200 +0 -18.25400000 +0 -0.8149 O( 1382 HOH 277) 6.57800000 +0 -13.24400000 +0 3.29400100 +0 -0.7285 O( 1383 HOH 278) 23.90500100 +0 -12.90000000 +0 -20.50700000 +0 -0.7014 O( 1384 HOH 279) 6.88200000 +0 -3.12900000 +0 -25.72800100 +0 -0.6970 O( 1385 HOH 280) 7.18800000 +0 -26.27199900 +0 -24.53400000 +0 -0.7285 O( 1386 HOH 281) 23.33400000 +0 -19.75000000 +0 -12.27500000 +0 -0.7418 O( 1387 HOH 282) -6.43900000 +0 -0.91200000 +0 -10.12500000 +0 -0.7855 O( 1388 HOH 283) 18.12000100 +0 2.25500000 +0 -14.71400000 +0 -0.6809 O( 1389 HOH 284) 20.70599900 +0 -0.37100000 +0 -4.61400000 +0 -0.7242 O( 1390 HOH 285) 9.60200000 +0 -7.36400000 +0 6.53400000 +0 -0.7565 O( 1391 HOH 286) -3.43300000 +0 -5.86300000 +0 -29.07500100 +0 -0.7059 O( 1392 HOH 287) -4.89900000 +0 -2.42100000 +0 -23.90900000 +0 -0.6796 O( 1393 HOH 288) 3.73800000 +0 9.82900000 +0 -5.02899900 +0 -0.7087 O( 1394 HOH 289) 12.07600000 +0 -1.69100000 +0 9.44400000 +0 -0.7300 O( 1395 HOH 290) 22.43600100 +0 -21.59600100 +0 -1.70200000 +0 -0.7139 O( 1396 HOH 291) 12.37700000 +0 5.02200000 +0 1.77500000 +0 -0.7203 O( 1397 HOH 292) 12.94400000 +0 -25.77299900 +0 -29.28800000 +0 -0.6978 O( 1398 HOH 293) -3.46600000 +0 -19.88800000 +0 -15.51700000 +0 -0.7666 O( 1399 HOH 294) 3.30300000 +0 -18.19000100 +0 -2.45200000 +0 -0.6949 O( 1400 HOH 295) 0.07700000 +0 3.94099900 +0 -24.28400000 +0 -0.7403 O( 1401 HOH 296) -10.87100000 +0 -5.07200100 +0 -12.64900000 +0 -0.7327 O( 1402 HOH 297) 23.65300000 +0 -24.79299900 +0 -20.83499900 +0 -0.7198 O( 1403 HOH 298) 20.49300000 +0 -5.38000000 +0 -19.13999900 +0 -0.6788 O( 1404 HOH 299) -1.73300000 +0 2.59100100 +0 -7.90400000 +0 -0.7228 O( 1405 HOH 300) 17.21400100 +0 -30.30800100 +0 -27.56100100 +0 -0.7009 O( 1406 HOH 301) -11.24899900 +0 -3.10400000 +0 -18.94599900 +0 -0.7100 O( 1407 HOH 302) 22.99500100 +0 -13.49700000 +0 -24.36100000 +0 -0.7760 O( 1408 HOH 303) -7.00200000 +0 1.57999900 +0 -10.89000000 +0 -0.7457 O( 1409 HOH 304) 4.92900000 +0 -9.38000000 +0 3.33799900 +0 -0.7048 O( 1410 HOH 305) 19.01000000 +0 3.56800000 +0 4.82500100 +0 -0.7238 O( 1411 HOH 306) 1.61900000 +0 -11.00100000 +0 -2.11100000 +0 -0.6748 O( 1412 HOH 307) -3.13600000 +0 -20.88999900 +0 -9.10400000 +0 -0.6790 O( 1413 HOH 308) 17.86000100 +0 -6.80900000 +0 -34.54000100 +0 -0.7152 O( 1414 HOH 309) 22.61200000 +0 -2.63500000 +0 -6.39200000 +0 -0.7140 O( 1415 HOH 310) 5.78900000 +0 -1.35000000 +0 6.74799900 +0 -0.7022 O( 1416 HOH 311) -8.27700000 +0 -11.18000000 +0 -18.68199900 +0 -0.6970 O( 1417 HOH 312) 20.31600000 +0 -7.37800000 +0 4.64699900 +0 -0.7274 O( 1418 HOH 313) 21.20500000 +0 -22.26200100 +0 -9.54800000 +0 -0.6870 O( 1419 HOH 314) 7.19600000 +0 -11.25500000 +0 -25.89500000 +0 -0.6909 O( 1420 HOH 315) 17.48800100 +0 -11.00200000 +0 -32.99499900 +0 -0.7454 O( 1421 HOH 316) 21.96200000 +0 -20.11299900 +0 -22.59600100 +0 -0.7120 O( 1422 HOH 317) 5.56900000 +0 -24.61000100 +0 -7.87100000 +0 -0.6905 O( 1423 HOH 318) 10.46500000 +0 -6.45100000 +0 8.84800000 +0 -0.7375 O( 1424 HOH 319) 17.45599900 +0 -6.41300000 +0 9.35000000 +0 -0.6738 O( 1425 HOH 320) 2.95600000 +0 -23.65399900 +0 -26.71600000 +0 -0.7524 O( 1426 HOH 321) 3.58300000 +0 0.12100000 +0 -27.29999900 +0 -0.6778 O( 1427 HOH 322) 9.21600000 +0 7.08900000 +0 -11.27900000 +0 -0.7211 O( 1428 HOH 323) -10.27400000 +0 -4.71700000 +0 -22.61599900 +0 -0.7171 O( 1429 HOH 324) -0.58300000 +0 -24.61700100 +0 -15.24900100 +0 -0.7771 O( 1430 HOH 325) 5.49400000 +0 -13.91300000 +0 -28.07900000 +0 -0.7566 O( 1431 HOH 326) 15.42700000 +0 -22.50600100 +0 -8.18100000 +0 -0.7219 O( 1432 HOH 327) -2.11500000 +0 4.96899900 +0 -20.51300000 +0 -0.7076 O( 1433 HOH 328) -4.23500000 +0 1.35500000 +0 -7.35200000 +0 -0.7114 O( 1434 HOH 329) 0.96100000 +0 -22.08800100 +0 -27.56200000 +0 -0.7171 O( 1435 HOH 330) -1.57100000 +0 -9.16500000 +0 -4.34800000 +0 -0.7317 O( 1436 HOH 331) 1.44900000 +0 -1.45400000 +0 4.06699900 +0 -0.6797 O( 1437 HOH 332) 19.36800000 +0 -24.24200100 +0 -1.77100000 +0 -0.6976 O( 1438 HOH 333) 22.33700000 +0 -27.51900100 +0 -18.37500000 +0 -0.7221 O( 1439 HOH 334) 9.87700000 +0 -22.47200000 +0 -29.54200000 +0 -0.7396 O( 1440 HOH 335) 18.00700000 +0 1.67900000 +0 6.84900100 +0 -0.7466 O( 1441 HOH 336) 20.16300000 +0 -28.01800200 +0 -24.74099900 +0 -0.7237 O( 1442 HOH 337) 6.82300000 +0 -8.41400000 +0 6.57200100 +0 -0.7150 O( 1443 HOH 338) -8.28900000 +0 3.49000100 +0 -14.98900000 +0 -0.7027 O( 1444 HOH 339) 24.45100000 +0 -18.93600100 +0 -1.16200100 +0 -0.7164 O( 1445 HOH 340) 4.46800000 +0 4.04400000 +0 -3.68100000 +0 -0.7204 O( 1446 HOH 341) 26.84800000 +0 -17.18199900 +0 -9.21200000 +0 -0.7193 O( 1447 HOH 342) 4.48700000 +0 2.69600000 +0 -1.31100100 +0 -0.7077 O( 1448 HOH 343) 3.32500000 +0 -9.11500000 +0 -23.66600000 +0 -0.6764 O( 1449 HOH 344) 22.62500000 +0 -22.04900000 +0 -5.05200000 +0 -0.6861 O( 1450 HOH 345) 26.72500000 +0 -8.54500000 +0 -5.04100000 +0 -0.7475 O( 1451 HOH 346) 15.26800000 +0 -32.98000000 +0 -25.70599900 +0 -0.7595 O( 1452 HOH 347) 7.66200000 +0 -28.43899900 +0 -17.97100100 +0 -0.7552 O( 1453 HOH 348) 7.39400000 +0 4.52799900 +0 -1.35500000 +0 -0.7566 O( 1454 HOH 349) 18.77800000 +0 -0.78100000 +0 7.25600100 +0 -0.7538 O( 1455 HOH 350) -6.11200000 +0 1.03000000 +0 -25.20200000 +0 -0.6987 O( 1456 HOH 351) 18.89500000 +0 -9.43800000 +0 -35.31300000 +0 -0.7284 O( 1457 HOH 352) 18.84300000 +0 -30.35100000 +0 -25.15300000 +0 -0.7199 O( 1458 HOH 353) 21.01100000 +0 -2.56700000 +0 1.99000000 +0 -0.7252 O( 1459 HOH 354) 22.06900000 +0 -16.88700100 +0 8.43000000 +0 -0.7032 O( 1460 HOH 355) 16.92600100 +0 -23.88100100 +0 -12.75500000 +0 -0.7511 O( 1461 HOH 356) 17.36300100 +0 -24.09100000 +0 2.83499900 +0 -0.6983 O( 1462 HOH 357) -13.27999900 +0 -6.16300000 +0 -21.62400100 +0 -0.6754 O( 1463 HOH 358) -10.42100000 +0 -0.22600000 +0 -17.56800100 +0 -0.7087 O( 1464 HOH 359) 26.44300100 +0 -8.60100000 +0 -1.01700000 +0 -0.7558 O( 1465 HOH 360) 13.77600000 +0 -27.11200000 +0 -12.45700000 +0 -0.7241 O( 1466 HOH 361) -3.55300000 +0 -19.26700000 +0 -18.60199900 +0 -0.7037 O( 1467 O ) 22.21100000 +0 -21.19800000 +0 -15.49700000 +0 -0.2781 O( 1468 HOH 362) -8.41400000 +0 4.96000000 +0 -19.07099900 +0 -0.6963 O( 1469 HOH 363) -1.11700000 +0 -6.50800000 +0 -5.34400000 +0 -0.7363 O( 1470 HOH 364) 8.57900000 +0 -17.05800100 +0 1.57600000 +0 -0.7274 O( 1471 O ) 21.55500000 +0 -20.76200100 +0 -14.12300000 +0 -0.3180 O( 1472 HOH 365) -4.68900000 +0 -19.82200100 +0 -12.69600000 +0 -0.7166 O( 1473 HOH 366) 24.31800100 +0 -17.99100100 +0 -4.32200100 +0 -0.7134 O( 1474 HOH 367) 6.33600000 +0 8.55499900 +0 -16.75300000 +0 -0.7240 O( 1475 HOH 368) 14.66200100 +0 -34.68400200 +0 -19.55400100 +0 -0.7342 O( 1476 HOH 369) 9.62900000 +0 -18.57000000 +0 4.71299900 +0 -0.7309 O( 1477 HOH 370) 15.32000000 +0 5.97400000 +0 -5.39900000 +0 -0.7082 O( 1478 HOH 371) 18.57500100 +0 -10.58500000 +0 -37.86000100 +0 -0.6600 O( 1479 HOH 372) 0.13900000 +0 2.90599900 +0 -4.53200000 +0 -0.7339 O( 1480 HOH 373) 2.61200000 +0 4.10300000 +0 -10.77400000 +0 -0.7829 O( 1481 HOH 374) 18.36899900 +0 -0.11800000 +0 -15.55900000 +0 -0.7311 O( 1482 HOH 375) 12.41300000 +0 -28.22900000 +0 -27.72600000 +0 -0.7306 O( 1483 HOH 376) 0.43100000 +0 -20.49600000 +0 -7.75500000 +0 -0.7061 O( 1484 HOH 377) 2.55900000 +0 8.80000000 +0 -16.83300000 +0 -0.7157 O( 1485 HOH 378) 19.65099900 +0 3.67900000 +0 -7.63300000 +0 -0.7034 O( 1486 HOH 379) 18.20100000 +0 -26.07099900 +0 -3.15399900 +0 -0.7383 O( 1487 HOH 380) 11.73000000 +0 -7.61100000 +0 -33.12599900 +0 -0.6674 O( 1488 HOH 381) 25.11400000 +0 -13.55300000 +0 -23.05400100 +0 -0.7212 O( 1489 HOH 382) 10.78100000 +0 5.50299900 +0 -0.87100000 +0 -0.7436 O( 1490 HOH 383) 6.76600000 +0 9.80199900 +0 -12.81400000 +0 -0.7166 O( 1491 HOH 384) -6.60000000 +0 -5.04000000 +0 -9.62800000 +0 -0.6772 O( 1492 HOH 385) 9.16600000 +0 8.74999900 +0 -2.78800000 +0 -0.7122 O( 1493 HOH 386) -2.93100000 +0 -7.44600000 +0 -6.99800000 +0 -0.7157 O( 1494 HOH 387) 19.23900000 +0 -30.58400000 +0 -16.74100100 +0 -0.7209 O( 1495 HOH 388) -10.08000000 +0 2.00500000 +0 -11.26600000 +0 -0.6724 O( 1496 HOH 389) 16.52400000 +0 7.58800000 +0 -0.84499900 +0 -0.7391 O( 1497 HOH 390) -3.16300000 +0 -12.11100000 +0 -25.70299900 +0 -0.6749 O( 1498 HOH 391) 7.07200000 +0 -20.17600100 +0 -32.45999900 +0 -0.7272 O( 1499 HOH 392) 16.39500000 +0 -5.83300000 +0 -22.76199900 +0 -0.7157 O( 1500 HOH 393) 4.91400000 +0 9.66299900 +0 -9.44800000 +0 -0.7065 O( 1501 HOH 394) 2.12000000 +0 6.35500000 +0 -5.84499900 +0 -0.7615 O( 1502 HOH 395) 25.46200000 +0 -15.63300000 +0 -19.42200100 +0 -0.7059 O( 1503 HOH 396) 4.60600000 +0 6.27500100 +0 -6.44400000 +0 -0.7384 O( 1504 HOH 397) 26.53300100 +0 -6.36700100 +0 4.92499900 +0 -0.6803 O( 1505 HOH 398) 26.99300000 +0 -14.26100000 +0 -24.55699900 +0 -0.6746 O( 1506 HOH 399) 22.69300100 +0 -2.92800000 +0 -0.34199900 +0 -0.6992 O( 1507 HOH 400) 3.58000000 +0 -11.64400000 +0 -1.09499900 +0 -0.7528 O( 1508 HOH 401) 22.74300000 +0 -28.36100000 +0 -23.07000000 +0 -0.6911 O( 1509 HOH 402) 4.46500000 +0 -12.16700000 +0 -31.56700100 +0 -0.6923 O( 1510 HOH 403) -6.64100000 +0 -11.43300100 +0 -22.52500000 +0 -0.6941 O( 1511 HOH 404) 20.46900000 +0 -28.07500100 +0 -16.58600000 +0 -0.7336 O( 1512 HOH 405) 13.66700000 +0 -34.66899900 +0 -24.53700100 +0 -0.6746 O( 1513 HOH 406) 3.31900000 +0 4.37099900 +0 -8.28300000 +0 -0.6923 O( 1514 HOH 407) 2.46600000 +0 3.63000000 +0 -5.02400000 +0 -0.8021 O( 1515 HOH 408) 18.30500000 +0 5.98000000 +0 1.78200000 +0 -0.6898 O( 1516 HOH 409) 11.90800000 +0 7.63100000 +0 -1.96800000 +0 -0.7436 O( 1517 HOH 410) 16.70900000 +0 -10.50000000 +0 -28.33000000 +0 -0.7191 O( 1518 HOH 411) 10.55299900 +0 -17.95299900 +0 7.01100000 +0 -0.6602 O( 1519 HOH 412) 22.38999900 +0 0.60600000 +0 -8.29200000 +0 -0.7516 O( 1520 HOH 413) 28.52600100 +0 -13.26300000 +0 -0.20800000 +0 -0.6724 O( 1521 HOH 414) 8.80200000 +0 12.29799900 +0 -9.80200000 +0 -0.7509 O( 1522 HOH 415) 26.24000000 +0 -5.81100000 +0 -7.16400000 +0 -0.6978 O( 1523 HOH 416) 15.29200000 +0 -24.33600000 +0 0.15399900 +0 -0.7891 O( 1524 HOH 417) 30.35800000 +0 -8.65400000 +0 2.87900000 +0 -0.6747 O( 1525 HOH 418) 11.63100100 +0 -34.24399900 +0 -19.62800000 +0 -0.6797 O( 1526 HOH 419) -2.09000000 +0 -14.91400100 +0 -25.87500000 +0 -0.6877 O( 1527 HOH 420) 9.51000000 +0 14.00900000 +0 -8.04000000 +0 -0.6694 O( 1528 HOH 421) 25.48000000 +0 -18.56300000 +0 -19.19700100 +0 -0.7069 O( 1529 HOH 422) 16.29000100 +0 -26.60100000 +0 -9.59700000 +0 -0.6992 O( 1530 HOH 423) -0.50600000 +0 1.99400000 +0 1.52800000 +0 -0.7122 O( 1531 HOH 424) 27.57200100 +0 -7.72400000 +0 1.60400000 +0 -0.7034 H( 1532 MET* 1) 0.26946393 +1 0.68098475 +1 -0.71169639 +1 0.2902 H( 1533 MET* 1) -0.65837898 +1 -0.65121926 +1 -0.40092278 +1 0.2615 H( 1534 MET* 1) 0.83955766 +1 -1.19936355 +1 1.49967462 +1 0.1793 H( 1535 MET 1) 1.90092427 +1 -1.26066749 +1 -1.43054529 +1 0.1660 H( 1536 MET 1) 0.84916956 +1 -2.46562026 +1 -0.68548694 +1 0.1562 H( 1537 MET 1) 3.77032138 +1 -1.84219074 +1 0.15041428 +1 0.1659 H( 1538 MET 1) 3.25243017 +1 -3.21774503 +1 -0.82001627 +1 0.1795 H( 1539 MET 1) 2.48509943 +1 -5.45006280 +1 0.16422985 +1 0.1668 H( 1540 MET 1) 1.71273541 +1 -5.62279365 +1 1.74353391 +1 0.1704 H( 1541 MET 1) 0.89591021 +1 -4.72123231 +1 0.45287357 +1 0.1688 H( 1542 VAL* 2) 2.58821713 +1 -0.51436124 +1 2.74317726 +1 0.3586 H( 1543 VAL* 2) 4.48568179 +1 1.43497119 +1 1.45114879 +1 0.1763 H( 1544 VAL 2) 2.82672497 +1 2.67904971 +1 2.76404425 +1 0.1689 H( 1545 VAL 2) 3.59884316 +1 0.81372782 +1 5.12059927 +1 0.1600 H( 1546 VAL 2) 2.01659538 +1 0.93535956 +1 4.32633463 +1 0.1690 H( 1547 VAL 2) 2.63349113 +1 2.28008013 +1 5.26809021 +1 0.1504 H( 1548 VAL 2) 5.48480806 +1 2.46252463 +1 4.35599033 +1 0.1490 H( 1549 VAL 2) 4.40989012 +1 3.85151116 +1 4.27418999 +1 0.1611 H( 1550 VAL 2) 5.29790351 +1 3.35362088 +1 2.83731397 +1 0.1494 H( 1551 LEU* 3) 6.62893529 +1 1.09463683 +1 1.93974223 +1 0.3320 H( 1552 LEU* 3) 7.20759072 +1 -1.06251842 +1 3.96034716 +1 0.2021 H( 1553 LEU 3) 9.45749532 +1 -1.12185247 +1 2.64803456 +1 0.1501 H( 1554 LEU 3) 8.68952735 +1 -0.19353708 +1 1.38536018 +1 0.1632 H( 1555 LEU 3) 7.64516166 +1 -2.95270097 +1 2.25820819 +1 0.1307 H( 1556 LEU 3) 7.24043984 +1 -1.23152128 +1 -0.27945221 +1 0.1421 H( 1557 LEU 3) 6.62915869 +1 -2.86565190 +1 -0.05257028 +1 0.1440 H( 1558 LEU 3) 6.02464118 +1 -1.55816214 +1 0.96915766 +1 0.1520 H( 1559 LEU 3) 10.06230074 +1 -3.02482145 +1 1.47293215 +1 0.1324 H( 1560 LEU 3) 8.98325964 +1 -3.79703593 +1 0.31640149 +1 0.1607 H( 1561 LEU 3) 9.61525406 +1 -2.17397511 +1 -0.00502402 +1 0.1585 H( 1562 SER* 4) 8.99063466 +1 -0.58585109 +1 5.41840836 +1 0.3538 H( 1563 SER* 4) 9.36776478 +1 2.31215507 +1 5.89571894 +1 0.1993 H( 1564 SER 4) 10.65391351 +1 1.47676285 +1 7.87580702 +1 0.1301 H( 1565 SER 4) 9.12023398 +1 0.52185342 +1 7.75925732 +1 0.1598 H( 1566 SER 4) 11.11005262 +1 -0.76041387 +1 8.10385870 +1 0.3691 H( 1567 GLU* 5) 11.77703202 +1 3.07059497 +1 6.09031126 +1 0.3277 H( 1568 GLU* 5) 13.15160003 +1 2.55533463 +1 3.61511863 +1 0.2155 H( 1569 GLU 5) 14.03773101 +1 3.73495761 +1 6.36055388 +1 0.1438 H( 1570 GLU 5) 13.48428662 +1 4.61796885 +1 4.91455712 +1 0.1839 H( 1571 GLU 5) 16.13652730 +1 3.06740793 +1 5.23683597 +1 0.1847 H( 1572 GLU 5) 15.92148382 +1 4.82177001 +1 5.19220219 +1 0.1902 H( 1573 GLU 5) 17.62159955 +1 3.53213478 +1 3.38993213 +1 0.4421 H( 1574 GLY* 6) 13.38094962 +1 1.11444611 +1 6.97863847 +1 0.3508 H( 1575 GLY* 6) 15.75935118 +1 -0.38865826 +1 6.50962574 +1 0.2046 H( 1576 GLY* 6) 14.47777725 +1 -0.76895299 +1 7.69964870 +1 0.1801 H( 1577 GLU* 7) 12.23496940 +1 -1.13069732 +1 5.81879982 +1 0.3658 H( 1578 GLU* 7) 12.84136777 +1 -3.88689785 +1 5.05463966 +1 0.1787 H( 1579 GLU 7) 10.55460997 +1 -3.62713592 +1 3.86153113 +1 0.1761 H( 1580 GLU 7) 10.51177877 +1 -1.92971924 +1 4.35834292 +1 0.1887 H( 1581 GLU 7) 10.65245796 +1 -2.63316530 +1 6.80231663 +1 0.1996 H( 1582 GLU 7) 10.69973367 +1 -4.32759351 +1 6.31520067 +1 0.1644 H( 1583 GLU 7) 8.65848278 +1 -5.16183344 +1 6.64878512 +1 0.4151 H( 1584 TRP* 8) 12.65448923 +1 -0.69396694 +1 3.23512589 +1 0.3634 H( 1585 TRP* 8) 12.95521966 +1 -1.95421502 +1 0.65551533 +1 0.1940 H( 1586 TRP 8) 14.10845218 +1 0.40656995 +1 0.16337121 +1 0.1900 H( 1587 TRP 8) 13.64196382 +1 0.84806016 +1 1.81360021 +1 0.1677 H( 1588 TRP 8) 11.20908364 +1 2.01443735 +1 1.87785897 +1 0.1886 H( 1589 TRP 8) 9.35388762 +1 2.22744506 +1 0.21616881 +1 0.3179 H( 1590 TRP 8) 12.73967604 +1 -1.44581282 +1 -1.62325064 +1 0.1610 H( 1591 TRP 8) 8.21106147 +1 0.69078882 +1 -1.88234070 +1 0.1606 H( 1592 TRP 8) 11.14865771 +1 -2.03168291 +1 -3.44393796 +1 0.1566 H( 1593 TRP 8) 8.92573391 +1 -0.97548249 +1 -3.58153625 +1 0.1784 H( 1594 GLN* 9) 15.37739005 +1 -0.96176163 +1 3.22815266 +1 0.3595 H( 1595 GLN* 9) 17.60915204 +1 -1.45965539 +1 1.43694999 +1 0.2109 H( 1596 GLN 9) 18.82903448 +1 -1.72312255 +1 3.74083312 +1 0.1733 H( 1597 GLN 9) 17.28308423 +1 -1.37383584 +1 4.53970419 +1 0.1555 H( 1598 GLN 9) 18.78855657 +1 0.65573909 +1 4.21745956 +1 0.1709 H( 1599 GLN 9) 17.15537381 +1 0.84752928 +1 3.57639841 +1 0.1790 H( 1600 GLN 9) 18.53186662 +1 1.91883098 +1 0.48352099 +1 0.3383 H( 1601 GLN 9) 17.35123920 +1 2.09068494 +1 1.68448554 +1 0.3245 H( 1602 LEU* 10) 15.58283290 +1 -3.66889880 +1 3.48490635 +1 0.3509 H( 1603 LEU* 10) 17.51899852 +1 -5.85548185 +1 3.30760619 +1 0.2059 H( 1604 LEU 10) 15.42566260 +1 -7.27908693 +1 3.60755691 +1 0.1701 H( 1605 LEU 10) 14.41246283 +1 -5.82778256 +1 3.50044556 +1 0.1607 H( 1606 LEU 10) 15.51240273 +1 -4.92378929 +1 5.60300215 +1 0.1371 H( 1607 LEU 10) 14.26803271 +1 -6.51176530 +1 7.08592205 +1 0.1379 H( 1608 LEU 10) 14.24082807 +1 -7.73402687 +1 5.81362708 +1 0.1471 H( 1609 LEU 10) 13.33961220 +1 -6.22882070 +1 5.60771506 +1 0.1365 H( 1610 LEU 10) 17.66942641 +1 -6.07178160 +1 5.60864020 +1 0.1606 H( 1611 LEU 10) 16.93406773 +1 -7.66972559 +1 5.49836939 +1 0.1762 H( 1612 LEU 10) 16.76540554 +1 -6.73885711 +1 6.98273789 +1 0.1261 H( 1613 VAL* 11) 14.83166437 +1 -4.56590007 +1 1.22236896 +1 0.3508 H( 1614 VAL* 11) 14.91184176 +1 -6.76532132 +1 -0.65676986 +1 0.1799 H( 1615 VAL 11) 14.02139822 +1 -3.77655801 +1 -0.81682271 +1 0.1649 H( 1616 VAL 11) 14.57124357 +1 -4.41831480 +1 -3.11657027 +1 0.1577 H( 1617 VAL 11) 13.82775620 +1 -6.01090776 +1 -2.94407133 +1 0.1532 H( 1618 VAL 11) 12.82090788 +1 -4.56075261 +1 -2.96165307 +1 0.1548 H( 1619 VAL 11) 12.64260221 +1 -5.23756438 +1 0.66422642 +1 0.1568 H( 1620 VAL 11) 12.47700410 +1 -6.45682868 +1 -0.60713140 +1 0.1451 H( 1621 VAL 11) 11.72651411 +1 -4.87014406 +1 -0.79565228 +1 0.1558 H( 1622 LEU* 12) 16.54001722 +1 -3.47372377 +1 -0.59641387 +1 0.3633 H( 1623 LEU* 12) 17.79689841 +1 -4.00198848 +1 -3.18508885 +1 0.1965 H( 1624 LEU 12) 19.13085194 +1 -1.95247681 +1 -2.56719713 +1 0.1729 H( 1625 LEU 12) 18.48782955 +1 -1.96730608 +1 -0.92860267 +1 0.1525 H( 1626 LEU 12) 16.13407016 +1 -1.66805110 +1 -1.80704127 +1 0.1506 H( 1627 LEU 12) 18.16300669 +1 0.39222983 +1 -2.89775183 +1 0.1534 H( 1628 LEU 12) 17.56868431 +1 0.32256784 +1 -1.23950375 +1 0.1401 H( 1629 LEU 12) 16.45622202 +1 0.68176686 +1 -2.55954610 +1 0.1541 H( 1630 LEU 12) 17.56401024 +1 -1.59924960 +1 -4.55120992 +1 0.1536 H( 1631 LEU 12) 16.35461098 +1 -2.77285515 +1 -4.01857382 +1 0.1347 H( 1632 LEU 12) 15.88711907 +1 -1.09741180 +1 -4.26475445 +1 0.1562 H( 1633 HIS* 13) 18.70154822 +1 -4.80802926 +1 0.21507215 +1 0.3612 H( 1634 HIS* 13) 21.53500952 +1 -5.12964140 +1 -0.41996013 +1 0.2139 H( 1635 HIS 13) 20.57443031 +1 -4.88776913 +1 1.92838344 +1 0.1831 H( 1636 HIS 13) 19.68069648 +1 -6.41223635 +1 1.75691300 +1 0.1952 H( 1637 HIS 13) 23.32742065 +1 -5.21487622 +1 2.68736552 +1 0.1947 H( 1638 HIS 13) 23.35505511 +1 -9.43669257 +1 2.56818008 +1 0.2192 H( 1639 HIS 13) 24.62993954 +1 -7.29687187 +1 3.21707903 +1 0.3412 H( 1640 VAL* 14) 18.61146942 +1 -7.42304153 +1 -0.37089233 +1 0.3671 H( 1641 VAL* 14) 20.34661695 +1 -9.60552256 +1 -1.23412984 +1 0.1856 H( 1642 VAL 14) 18.04814669 +1 -9.79864142 +1 -0.07112876 +1 0.1718 H( 1643 VAL 14) 16.97797463 +1 -9.25703075 +1 -2.93934316 +1 0.1536 H( 1644 VAL 14) 16.03189192 +1 -9.74897022 +1 -1.54045883 +1 0.1365 H( 1645 VAL 14) 16.79549911 +1 -8.16962172 +1 -1.54764982 +1 0.1824 H( 1646 VAL 14) 19.14690743 +1 -11.77071295 +1 -1.06249133 +1 0.1520 H( 1647 VAL 14) 17.43673389 +1 -11.85525020 +1 -1.48446287 +1 0.1501 H( 1648 VAL 14) 18.61826158 +1 -11.34124517 +1 -2.69861321 +1 0.1591 H( 1649 TRP* 15) 18.44482555 +1 -7.00451838 +1 -2.98214859 +1 0.3686 H( 1650 TRP* 15) 18.68578175 +1 -8.38530521 +1 -5.51690595 +1 0.1900 H( 1651 TRP 15) 18.68033988 +1 -5.30080450 +1 -5.25640501 +1 0.1809 H( 1652 TRP 15) 17.25302335 +1 -6.22266919 +1 -4.75815075 +1 0.1779 H( 1653 TRP 15) 19.08052394 +1 -5.07892788 +1 -7.97975522 +1 0.1861 H( 1654 TRP 15) 17.99333686 +1 -6.06265771 +1 -10.02522207 +1 0.3511 H( 1655 TRP 15) 15.82736111 +1 -8.29819576 +1 -5.63781274 +1 0.1434 H( 1656 TRP 15) 15.95041113 +1 -7.90065635 +1 -10.63491916 +1 0.1723 H( 1657 TRP 15) 14.30557861 +1 -9.66829412 +1 -7.06437497 +1 0.1444 H( 1658 TRP 15) 14.36609232 +1 -9.48183093 +1 -9.51034458 +1 0.1426 H( 1659 ALA* 16) 21.03000586 +1 -6.37660357 +1 -3.62470493 +1 0.3681 H( 1660 ALA* 16) 22.78929665 +1 -5.84233147 +1 -5.84426555 +1 0.1832 H( 1661 ALA 16) 24.51216161 +1 -5.60831939 +1 -4.00376697 +1 0.1786 H( 1662 ALA 16) 23.43377597 +1 -6.37911196 +1 -2.83137769 +1 0.1772 H( 1663 ALA 16) 23.00375705 +1 -4.80919562 +1 -3.51824050 +1 0.1843 H( 1664 LYS* 17) 22.16677835 +1 -8.76694747 +1 -3.80634919 +1 0.3601 H( 1665 LYS* 17) 24.55677243 +1 -10.17353855 +1 -4.80280355 +1 0.1964 H( 1666 LYS 17) 23.35381669 +1 -12.16336330 +1 -3.81324187 +1 0.1617 H( 1667 LYS 17) 21.89598631 +1 -11.17750528 +1 -3.52305147 +1 0.1710 H( 1668 LYS 17) 24.67845360 +1 -10.61924120 +1 -2.31385223 +1 0.1467 H( 1669 LYS 17) 23.23069024 +1 -9.66007200 +1 -1.99565576 +1 0.1642 H( 1670 LYS 17) 23.50484250 +1 -12.67516985 +1 -1.33793937 +1 0.1819 H( 1671 LYS 17) 22.06071030 +1 -11.72295009 +1 -1.05683302 +1 0.1625 H( 1672 LYS 17) 23.33317734 +1 -10.13951802 +1 0.45641208 +1 0.1711 H( 1673 LYS 17) 23.33226340 +1 -11.84219080 +1 1.03421506 +1 0.1788 H( 1674 LYS 17) 25.58466235 +1 -10.35202654 +1 -0.24151396 +1 0.3026 H( 1675 LYS 17) 25.57703493 +1 -12.03643290 +1 -0.12496227 +1 0.3051 H( 1676 VAL* 18) 21.06159724 +1 -9.87453110 +1 -5.77873973 +1 0.3628 H( 1677 VAL* 18) 21.12526639 +1 -11.97362085 +1 -7.77328217 +1 0.1816 H( 1678 VAL 18) 19.61859521 +1 -9.23807764 +1 -7.64609057 +1 0.1732 H( 1679 VAL 18) 19.70649587 +1 -10.09541367 +1 -9.99734108 +1 0.1529 H( 1680 VAL 18) 19.15328982 +1 -11.69181143 +1 -9.47603374 +1 0.1565 H( 1681 VAL 18) 18.07875119 +1 -10.28910320 +1 -9.33795957 +1 0.1580 H( 1682 VAL 18) 19.07911269 +1 -10.84941288 +1 -5.76586937 +1 0.1573 H( 1683 VAL 18) 18.71262853 +1 -12.11626404 +1 -6.95879352 +1 0.1607 H( 1684 VAL 18) 17.71719883 +1 -10.64906872 +1 -6.86832213 +1 0.1599 H( 1685 GLU* 19) 22.09129642 +1 -8.45940928 +1 -7.74898878 +1 0.3672 H( 1686 GLU* 19) 22.58342490 +1 -8.37647426 +1 -10.59384975 +1 0.1839 H( 1687 GLU 19) 24.01630246 +1 -6.32459393 +1 -9.82951886 +1 0.1932 H( 1688 GLU 19) 23.53643480 +1 -6.70889891 +1 -8.15205910 +1 0.1719 H( 1689 GLU 19) 21.53971728 +1 -6.23160857 +1 -10.49566465 +1 0.1805 H( 1690 GLU 19) 21.08291029 +1 -6.51957106 +1 -8.80733826 +1 0.2122 H( 1691 GLU 19) 23.76637846 +1 -4.68391417 +1 -8.39050349 +1 0.4128 H( 1692 ALA* 20) 24.49321397 +1 -9.95244231 +1 -8.10167106 +1 0.3567 H( 1693 ALA* 20) 27.00833181 +1 -9.59537755 +1 -9.57686118 +1 0.1921 H( 1694 ALA 20) 27.73655472 +1 -11.51186411 +1 -8.04527956 +1 0.1777 H( 1695 ALA 20) 26.08534483 +1 -11.64657491 +1 -7.41304852 +1 0.1666 H( 1696 ALA 20) 27.01733156 +1 -10.16673911 +1 -7.14191531 +1 0.1778 H( 1697 ASP* 21) 24.13136148 +1 -11.60068048 +1 -10.03663741 +1 0.3515 H( 1698 ASP* 21) 25.47045532 +1 -12.81025154 +1 -12.41143800 +1 0.1985 H( 1699 ASP 21) 26.03659716 +1 -14.44404841 +1 -10.65635566 +1 0.1812 H( 1700 ASP 21) 24.36431393 +1 -14.51094566 +1 -10.06458817 +1 0.1581 H( 1701 ARG 117) 23.81095806 +1 -17.20191620 +1 -10.00089852 +1 0.3954 H( 1702 VAL* 22) 23.80916098 +1 -11.02416217 +1 -12.97188143 +1 0.3716 H( 1703 VAL* 22) 21.00524951 +1 -11.42241505 +1 -12.45684673 +1 0.1957 H( 1704 VAL 22) 22.40594021 +1 -10.14013338 +1 -14.93898932 +1 0.1521 H( 1705 VAL 22) 20.29057539 +1 -8.90407698 +1 -15.20219144 +1 0.1538 H( 1706 VAL 22) 19.88050529 +1 -10.61060309 +1 -15.13039954 +1 0.1645 H( 1707 VAL 22) 19.61750230 +1 -9.60199468 +1 -13.71336159 +1 0.1501 H( 1708 VAL 22) 23.26654392 +1 -9.10502559 +1 -12.84511394 +1 0.1770 H( 1709 VAL 22) 21.62445394 +1 -8.95563263 +1 -12.19349778 +1 0.1490 H( 1710 VAL 22) 22.15670844 +1 -8.00059797 +1 -13.60662541 +1 0.1387 H( 1711 ALA* 23) 23.07621679 +1 -12.67548995 +1 -15.22380044 +1 0.3410 H( 1712 ALA* 23) 20.77474531 +1 -13.63145961 +1 -16.70187311 +1 0.1854 H( 1713 ALA 23) 23.78731928 +1 -14.46086144 +1 -16.66633476 +1 0.1809 H( 1714 ALA 23) 22.60871081 +1 -15.13131853 +1 -17.78098385 +1 0.1816 H( 1715 ALA 23) 22.96748747 +1 -13.39647548 +1 -17.83230098 +1 0.1771 H( 1716 GLY* 24) 22.96464524 +1 -15.21012063 +1 -14.15676133 +1 0.3760 H( 1717 GLY* 24) 22.70611462 +1 -17.16573000 +1 -13.06602820 +1 0.2270 H( 1718 GLY* 24) 21.77603212 +1 -17.79601992 +1 -14.47706693 +1 0.1884 H( 1719 HIS* 25) 21.00971943 +1 -15.01269754 +1 -12.15343000 +1 0.3775 H( 1720 HIS* 25) 18.98341284 +1 -16.54715706 +1 -10.76402250 +1 0.1781 H( 1721 HIS 25) 19.43370560 +1 -13.49768754 +1 -11.23728157 +1 0.1833 H( 1722 HIS 25) 18.11635160 +1 -14.15073391 +1 -10.23068258 +1 0.1841 H( 1723 HIS 25) 22.17990352 +1 -14.11540508 +1 -10.10065561 +1 0.2397 H( 1724 HIS 25) 20.56442490 +1 -15.05724409 +1 -6.33420073 +1 0.1914 H( 1725 HIS 25) 22.71850314 +1 -14.31713322 +1 -7.67681906 +1 0.3338 H( 1726 GLY* 26) 18.99457727 +1 -14.49089296 +1 -13.79983528 +1 0.3721 H( 1727 GLY* 26) 17.36693451 +1 -14.13374030 +1 -15.35251802 +1 0.2147 H( 1728 GLY* 26) 16.13093951 +1 -14.33511622 +1 -14.06102101 +1 0.1863 H( 1729 GLN* 27) 18.62459158 +1 -16.74579668 +1 -15.25426113 +1 0.3693 H( 1730 GLN* 27) 16.67732331 +1 -18.21499047 +1 -16.83100384 +1 0.1963 H( 1731 GLN 27) 19.37487518 +1 -18.98063819 +1 -15.45823023 +1 0.1695 H( 1732 GLN 27) 18.45120946 +1 -20.09334452 +1 -16.48464120 +1 0.1569 H( 1733 GLN 27) 19.56322303 +1 -17.34429185 +1 -17.37624718 +1 0.2071 H( 1734 GLN 27) 18.65295335 +1 -18.45300759 +1 -18.41809449 +1 0.1776 H( 1735 GLN 27) 21.56513895 +1 -20.26000836 +1 -19.28025040 +1 0.3243 H( 1736 GLN 27) 20.00738185 +1 -19.73640263 +1 -19.74382353 +1 0.3626 H( 1737 ASP* 28) 17.90438351 +1 -18.53324514 +1 -13.37043327 +1 0.3694 H( 1738 ASP* 28) 16.44029757 +1 -20.97225696 +1 -12.88753896 +1 0.2023 H( 1739 ASP 28) 17.41653169 +1 -18.63042481 +1 -11.03926114 +1 0.2179 H( 1740 ASP 28) 16.63293836 +1 -20.08311146 +1 -10.39289569 +1 0.2185 H( 1741 ASP 28) 19.81462261 +1 -21.53774851 +1 -12.28825735 +1 0.4146 H( 1742 ILE* 29) 15.50463920 +1 -17.44760399 +1 -12.59319183 +1 0.3726 H( 1743 ILE* 29) 13.00867456 +1 -18.09764627 +1 -11.21468200 +1 0.1973 H( 1744 ILE 29) 14.16974394 +1 -15.64019880 +1 -12.72724414 +1 0.1603 H( 1745 ILE 29) 15.00257010 +1 -16.45293557 +1 -10.40689761 +1 0.1570 H( 1746 ILE 29) 13.38995911 +1 -16.10791254 +1 -9.77017686 +1 0.1469 H( 1747 ILE 29) 12.14552963 +1 -14.39433872 +1 -11.78062622 +1 0.1523 H( 1748 ILE 29) 11.71755586 +1 -15.51960713 +1 -13.06742541 +1 0.1512 H( 1749 ILE 29) 11.39798657 +1 -15.94245857 +1 -11.37923665 +1 0.1604 H( 1750 ILE 29) 15.33543803 +1 -14.08299999 +1 -11.04742389 +1 0.1496 H( 1751 ILE 29) 14.93825649 +1 -14.22095218 +1 -9.33089673 +1 0.1491 H( 1752 ILE 29) 13.71046202 +1 -13.65949755 +1 -10.47510117 +1 0.1341 H( 1753 LEU* 30) 13.82699140 +1 -17.47941102 +1 -14.76784040 +1 0.3662 H( 1754 LEU* 30) 10.98665937 +1 -17.66076910 +1 -15.46458144 +1 0.1902 H( 1755 LEU 30) 13.61720813 +1 -17.96721239 +1 -17.11188586 +1 0.1603 H( 1756 LEU 30) 11.98946482 +1 -18.00102200 +1 -17.80653598 +1 0.1686 H( 1757 LEU 30) 13.30257775 +1 -15.64746818 +1 -16.28511980 +1 0.1513 H( 1758 LEU 30) 14.10504443 +1 -15.97845881 +1 -18.64174201 +1 0.1584 H( 1759 LEU 30) 12.44396267 +1 -16.00658373 +1 -19.23773494 +1 0.1408 H( 1760 LEU 30) 13.10762239 +1 -14.53019549 +1 -18.53068265 +1 0.1450 H( 1761 LEU 30) 11.13622171 +1 -14.44046786 +1 -17.03631604 +1 0.1450 H( 1762 LEU 30) 10.89176793 +1 -15.62548931 +1 -15.76215041 +1 0.1348 H( 1763 LEU 30) 10.44811789 +1 -16.01686271 +1 -17.43248128 +1 0.1514 H( 1764 ILE* 31) 13.73051948 +1 -20.08504107 +1 -15.21639147 +1 0.3601 H( 1765 ILE* 31) 12.19419222 +1 -22.15032977 +1 -16.59163557 +1 0.2008 H( 1766 ILE 31) 14.51553504 +1 -22.20305116 +1 -14.50099905 +1 0.1478 H( 1767 ILE 31) 14.95818062 +1 -21.20886749 +1 -16.78784890 +1 0.1595 H( 1768 ILE 31) 14.38639148 +1 -22.69336490 +1 -17.54751522 +1 0.1372 H( 1769 ILE 31) 14.73738938 +1 -24.61738988 +1 -15.08764184 +1 0.1475 H( 1770 ILE 31) 13.30329115 +1 -24.54274429 +1 -16.13265767 +1 0.1624 H( 1771 ILE 31) 13.14886086 +1 -24.34080111 +1 -14.39002406 +1 0.1452 H( 1772 ILE 31) 16.92887541 +1 -22.48008630 +1 -17.34300994 +1 0.1377 H( 1773 ILE 31) 16.30095822 +1 -23.96783722 +1 -16.63022920 +1 0.1320 H( 1774 ILE 31) 16.75808778 +1 -22.61276782 +1 -15.58619901 +1 0.1502 H( 1775 ARG* 32) 12.47888217 +1 -21.02937145 +1 -13.11283155 +1 0.3571 H( 1776 ARG* 32) 10.87898487 +1 -23.19645409 +1 -12.03607704 +1 0.1595 H( 1777 ARG 32) 12.28195419 +1 -21.61808049 +1 -10.64066415 +1 0.1786 H( 1778 ARG 32) 11.39056927 +1 -20.22537289 +1 -11.23051595 +1 0.1764 H( 1779 ARG 32) 10.48810690 +1 -20.60091387 +1 -9.08828338 +1 0.1624 H( 1780 ARG 32) 9.23982563 +1 -21.25630986 +1 -10.15976265 +1 0.1581 H( 1781 ARG 32) 11.45459123 +1 -22.90685167 +1 -8.74506891 +1 0.1675 H( 1782 ARG 32) 10.18539420 +1 -23.59586737 +1 -9.81589174 +1 0.1370 H( 1783 ARG 32) 8.77957584 +1 -22.09776554 +1 -7.90305681 +1 0.3332 H( 1784 ARG 32) 11.03601840 +1 -24.90693715 +1 -7.89614952 +1 0.3403 H( 1785 ARG 32) 10.22824071 +1 -25.63895648 +1 -6.61505145 +1 0.3016 H( 1786 ARG 32) 8.60603156 +1 -24.52916088 +1 -5.42045690 +1 0.2708 H( 1787 LEU* 33) 10.10164499 +1 -19.89051232 +1 -13.39021366 +1 0.3644 H( 1788 LEU* 33) 7.29790068 +1 -20.01818249 +1 -12.80456682 +1 0.1635 H( 1789 LEU 33) 9.00496001 +1 -18.62176799 +1 -14.98772540 +1 0.1698 H( 1790 LEU 33) 8.50173129 +1 -17.93215608 +1 -13.44439417 +1 0.1587 H( 1791 LEU 33) 6.56812635 +1 -18.73200983 +1 -15.73959428 +1 0.1678 H( 1792 LEU 33) 6.16433445 +1 -17.19127421 +1 -13.08520761 +1 0.1364 H( 1793 LEU 33) 5.45071106 +1 -18.75183604 +1 -13.55525267 +1 0.1450 H( 1794 LEU 33) 4.97639811 +1 -17.27016229 +1 -14.38693576 +1 0.1476 H( 1795 LEU 33) 8.07398434 +1 -16.85747950 +1 -16.40323126 +1 0.1475 H( 1796 LEU 33) 6.43924525 +1 -16.25775583 +1 -16.12937224 +1 0.1447 H( 1797 LEU 33) 7.69488957 +1 -15.96713106 +1 -14.92007511 +1 0.1420 H( 1798 PHE* 34) 9.14095403 +1 -20.99652743 +1 -15.84810741 +1 0.3662 H( 1799 PHE* 34) 6.66068726 +1 -21.66419091 +1 -17.20215121 +1 0.2009 H( 1800 PHE 34) 9.60288693 +1 -22.57885057 +1 -17.71049796 +1 0.1710 H( 1801 PHE 34) 8.24993991 +1 -22.76452604 +1 -18.84029546 +1 0.1908 H( 1802 PHE 34) 6.89479199 +1 -20.00539278 +1 -18.30990008 +1 0.1752 H( 1803 PHE 34) 10.98934666 +1 -21.12984688 +1 -19.01874362 +1 0.1504 H( 1804 PHE 34) 7.33247679 +1 -17.79675647 +1 -19.28468464 +1 0.1506 H( 1805 PHE 34) 11.42557389 +1 -18.91030048 +1 -20.00593142 +1 0.1406 H( 1806 PHE 34) 9.59810445 +1 -17.22342396 +1 -20.13947270 +1 0.1492 H( 1807 LYS* 35) 8.89606739 +1 -23.58893763 +1 -15.09007979 +1 0.3576 H( 1808 LYS* 35) 7.63583026 +1 -26.10953729 +1 -15.95048321 +1 0.2001 H( 1809 LYS 35) 9.47399208 +1 -25.24727076 +1 -13.58630045 +1 0.1543 H( 1810 LYS 35) 8.86503116 +1 -26.89569252 +1 -13.77398406 +1 0.1622 H( 1811 LYS 35) 11.19976591 +1 -26.52140728 +1 -14.68818038 +1 0.1341 H( 1812 LYS 35) 10.55593362 +1 -25.40014114 +1 -15.88585204 +1 0.1626 H( 1813 LYS 35) 9.57798333 +1 -28.33243165 +1 -15.60372135 +1 0.1534 H( 1814 LYS 35) 9.10530131 +1 -27.18422651 +1 -16.85963604 +1 0.1704 H( 1815 LYS 35) 12.02748228 +1 -28.04827358 +1 -16.39688270 +1 0.0946 H( 1816 LYS 35) 11.40762927 +1 -27.04648774 +1 -17.72755881 +1 0.1374 H( 1817 LYS 35) 11.00367352 +1 -28.94596623 +1 -18.81125070 +1 0.2970 H( 1818 LYS 35) 11.31331529 +1 -29.90731929 +1 -17.54319087 +1 0.2383 H( 1819 SER* 36) 7.13030123 +1 -23.63700828 +1 -13.35360642 +1 0.3529 H( 1820 SER* 36) 5.31567391 +1 -25.40662676 +1 -11.85926031 +1 0.2082 H( 1821 SER 36) 5.86898964 +1 -22.32359033 +1 -11.75012862 +1 0.1333 H( 1822 SER 36) 4.90371749 +1 -23.26991742 +1 -10.54132598 +1 0.1588 H( 1823 SER 36) 7.66631779 +1 -23.59091808 +1 -11.08875495 +1 0.3503 H( 1824 HIS* 37) 4.98189744 +1 -22.79390693 +1 -14.36932152 +1 0.3621 H( 1825 HIS* 37) 2.04794699 +1 -23.49172605 +1 -14.53566067 +1 0.2102 H( 1826 HIS 37) 3.26366156 +1 -20.63218759 +1 -14.52624871 +1 0.1961 H( 1827 HIS 37) 1.55650998 +1 -21.06663702 +1 -14.71931232 +1 0.1900 H( 1828 HIS 37) 4.17264466 +1 -20.50555025 +1 -11.80563477 +1 0.1992 H( 1829 HIS 37) 0.65145334 +1 -22.00331506 +1 -10.00331374 +1 0.2405 H( 1830 HIS 37) 2.97909629 +1 -20.92867661 +1 -9.60928933 +1 0.3907 H( 1831 PRO* 38) 4.62959131 +1 -23.86386338 +1 -18.44492065 +1 0.2132 H( 1832 PRO 38) 3.74318631 +1 -25.90423403 +1 -19.43061616 +1 0.1641 H( 1833 PRO 38) 2.09247138 +1 -25.61770885 +1 -18.87595524 +1 0.1595 H( 1834 PRO 38) 4.56387380 +1 -26.29196356 +1 -17.13260882 +1 0.1734 H( 1835 PRO 38) 3.04260636 +1 -27.18087348 +1 -17.20136216 +1 0.1576 H( 1836 PRO 38) 3.32178266 +1 -25.32527651 +1 -15.27137642 +1 0.1687 H( 1837 PRO 38) 1.76958009 +1 -25.30269076 +1 -16.17330746 +1 0.1712 H( 1838 GLU* 39) 1.13174960 +1 -22.87391864 +1 -17.95022061 +1 0.3961 H( 1839 GLU* 39) 0.69043910 +1 -22.26172272 +1 -20.75899430 +1 0.1961 H( 1840 GLU 39) -1.10526387 +1 -22.45613622 +1 -18.99846770 +1 0.1765 H( 1841 GLU 39) -1.17693567 +1 -20.95538122 +1 -19.91597117 +1 0.1773 H( 1842 GLU 39) 0.29221378 +1 -19.98587818 +1 -17.78871642 +1 0.1678 H( 1843 GLU 39) -1.45360998 +1 -20.01941984 +1 -17.83507368 +1 0.2026 H( 1844 HOH 170) -1.13979244 +1 -21.98501142 +1 -14.20348862 +1 0.4170 H( 1845 THR* 40) 2.67508861 +1 -20.64136838 +1 -18.23912289 +1 0.3646 H( 1846 THR* 40) 2.37052312 +1 -17.96939023 +1 -19.43912489 +1 0.1920 H( 1847 THR 40) 4.45608867 +1 -17.48193683 +1 -18.01957344 +1 0.1436 H( 1848 THR 40) 4.39634666 +1 -20.15556738 +1 -17.05270576 +1 0.3707 H( 1849 THR 40) 3.32290164 +1 -17.88135927 +1 -15.81212972 +1 0.1598 H( 1850 THR 40) 2.35841641 +1 -19.20453389 +1 -16.46716340 +1 0.1715 H( 1851 THR 40) 2.01932441 +1 -17.53965132 +1 -16.96699844 +1 0.1712 H( 1852 LEU* 41) 4.46371360 +1 -20.85404276 +1 -20.02471773 +1 0.3503 H( 1853 LEU* 41) 6.47972698 +1 -19.39748026 +1 -21.49724701 +1 0.1829 H( 1854 LEU 41) 6.71751868 +1 -21.71295939 +1 -20.55980715 +1 0.1551 H( 1855 LEU 41) 5.45744922 +1 -22.33009418 +1 -21.63934685 +1 0.1638 H( 1856 LEU 41) 6.87576700 +1 -21.89730267 +1 -23.63395074 +1 0.1490 H( 1857 LEU 41) 9.31696563 +1 -21.25526656 +1 -23.22188866 +1 0.1497 H( 1858 LEU 41) 8.90987763 +1 -20.84810668 +1 -21.54640190 +1 0.1436 H( 1859 LEU 41) 8.18251784 +1 -19.94940061 +1 -22.89222837 +1 0.1500 H( 1860 LEU 41) 8.60227269 +1 -23.65562506 +1 -23.08738849 +1 0.1541 H( 1861 LEU 41) 7.03947517 +1 -24.09533403 +1 -22.42895291 +1 0.1559 H( 1862 LEU 41) 8.29042778 +1 -23.46096629 +1 -21.35929343 +1 0.1424 H( 1863 GLU* 42) 3.17727697 +1 -20.44374029 +1 -22.32550389 +1 0.3452 H( 1864 GLU* 42) 3.51911118 +1 -20.55567612 +1 -25.17904523 +1 0.2011 H( 1865 GLU 42) 1.10014576 +1 -19.84382886 +1 -23.33781165 +1 0.1715 H( 1866 GLU 42) 0.96079981 +1 -20.01742155 +1 -25.08271306 +1 0.1985 H( 1867 GLU 42) 2.07412566 +1 -22.29380154 +1 -23.31731583 +1 0.1676 H( 1868 GLU 42) 1.61018616 +1 -22.38761029 +1 -25.01347138 +1 0.1904 H( 1869 GLU 42) 0.38520270 +1 -23.94359246 +1 -22.80290883 +1 0.4226 H( 1870 LYS* 43) 3.60736144 +1 -17.79581536 +1 -22.97683476 +1 0.3537 H( 1871 LYS* 43) 2.55799308 +1 -15.90680325 +1 -24.98926475 +1 0.2157 H( 1872 LYS 43) 4.15010189 +1 -15.58377618 +1 -22.32538186 +1 0.1552 H( 1873 LYS 43) 3.53498875 +1 -14.23066589 +1 -23.29078060 +1 0.1681 H( 1874 LYS 43) 2.11280267 +1 -14.94384199 +1 -21.27568744 +1 0.1237 H( 1875 LYS 43) 1.72302661 +1 -16.44583635 +1 -22.11763748 +1 0.1521 H( 1876 LYS 43) 1.17957979 +1 -13.62767317 +1 -23.27007316 +1 0.1438 H( 1877 LYS 43) 0.72684066 +1 -15.15199584 +1 -24.03045926 +1 0.1526 H( 1878 LYS 43) -0.27187957 +1 -14.22701357 +1 -21.24466337 +1 0.1204 H( 1879 LYS 43) -0.73492116 +1 -15.74559713 +1 -22.07032304 +1 0.1456 H( 1880 LYS 43) -1.53934328 +1 -13.01732288 +1 -22.72105210 +1 0.2776 H( 1881 LYS 43) -1.51059571 +1 -14.14419601 +1 -23.93116351 +1 0.2659 H( 1882 PHE* 44) 5.54205538 +1 -17.61945939 +1 -24.83531965 +1 0.3662 H( 1883 PHE* 44) 6.93048154 +1 -15.26530599 +1 -26.13175059 +1 0.1822 H( 1884 PHE 44) 9.01997284 +1 -16.56137837 +1 -25.46899615 +1 0.1653 H( 1885 PHE 44) 8.02461372 +1 -17.75191906 +1 -24.64120011 +1 0.1919 H( 1886 PHE 44) 8.97126378 +1 -14.12198958 +1 -24.68757550 +1 0.1565 H( 1887 PHE 44) 7.16003294 +1 -17.29130309 +1 -22.42643316 +1 0.1661 H( 1888 PHE 44) 9.05817443 +1 -12.71947583 +1 -22.65692248 +1 0.1364 H( 1889 PHE 44) 7.25684545 +1 -15.89691240 +1 -20.38876461 +1 0.1530 H( 1890 PHE 44) 8.20862490 +1 -13.60111735 +1 -20.48971897 +1 0.1555 H( 1891 ASP* 45) 6.25026441 +1 -15.67046087 +1 -28.32460535 +1 0.3604 H( 1892 ASP* 45) 6.24870922 +1 -18.31545805 +1 -29.46167158 +1 0.2241 H( 1893 ASP 45) 6.56964209 +1 -15.49471011 +1 -30.76485373 +1 0.1770 H( 1894 ASP 45) 6.35193541 +1 -16.99173271 +1 -31.67661531 +1 0.2053 H( 1895 ASP 45) 4.46182878 +1 -14.62474750 +1 -31.29891048 +1 0.4048 H( 1896 ARG* 46) 9.06269989 +1 -16.22783946 +1 -28.73414528 +1 0.3692 H( 1897 ARG* 46) 10.66318618 +1 -17.46585815 +1 -30.86638916 +1 0.1971 H( 1898 ARG 46) 12.54939523 +1 -16.39530253 +1 -29.43269377 +1 0.1572 H( 1899 ARG 46) 11.30386238 +1 -15.75550705 +1 -28.34371693 +1 0.1684 H( 1900 ARG 46) 11.34539886 +1 -15.23750010 +1 -31.38726147 +1 0.1570 H( 1901 ARG 46) 10.24391189 +1 -14.49798242 +1 -30.21387719 +1 0.1572 H( 1902 ARG 46) 13.32097706 +1 -14.20652022 +1 -30.02699029 +1 0.1438 H( 1903 ARG 46) 12.08650508 +1 -13.29147629 +1 -29.09912729 +1 0.1542 H( 1904 ARG 46) 11.52364019 +1 -12.93281630 +1 -31.87972320 +1 0.3259 H( 1905 ARG 46) 14.62625010 +1 -10.79049358 +1 -30.43843175 +1 0.3402 H( 1906 ARG 46) 14.11208538 +1 -12.08303314 +1 -29.52257942 +1 0.3119 H( 1907 ARG 46) 13.67997866 +1 -10.32486398 +1 -32.52724150 +1 0.3044 H( 1908 PHE* 47) 9.82699662 +1 -18.40717985 +1 -27.51584316 +1 0.3480 H( 1909 PHE* 47) 11.50592065 +1 -20.83313836 +1 -28.05717501 +1 0.1983 H( 1910 PHE 47) 13.06932887 +1 -19.39768220 +1 -26.91673189 +1 0.1469 H( 1911 PHE 47) 12.53636185 +1 -20.65580861 +1 -25.78584720 +1 0.1756 H( 1912 PHE 47) 11.15182346 +1 -20.07590455 +1 -23.81487352 +1 0.1723 H( 1913 PHE 47) 12.35362224 +1 -17.02887934 +1 -26.57944211 +1 0.1383 H( 1914 PHE 47) 10.66346060 +1 -18.34611809 +1 -22.11683580 +1 0.1611 H( 1915 PHE 47) 11.87556048 +1 -15.28848545 +1 -24.88878860 +1 0.1641 H( 1916 PHE 47) 11.02685212 +1 -15.93733455 +1 -22.64425655 +1 0.1602 H( 1917 LYS* 48) 8.45568768 +1 -20.11600012 +1 -27.62814037 +1 0.3469 H( 1918 LYS* 48) 7.72437353 +1 -21.42257050 +1 -25.23751838 +1 0.2002 H( 1919 LYS 48) 6.20286029 +1 -20.02611437 +1 -26.57881795 +1 0.1861 H( 1920 LYS 48) 5.51369809 +1 -21.61479471 +1 -26.27057102 +1 0.1806 H( 1921 LYS 48) 6.85697418 +1 -20.81919590 +1 -28.94884740 +1 0.1224 H( 1922 LYS 48) 6.08421793 +1 -22.36504827 +1 -28.61297032 +1 0.1448 H( 1923 LYS 48) 4.63905183 +1 -19.63390712 +1 -28.39208661 +1 0.1551 H( 1924 LYS 48) 3.88899742 +1 -21.20664627 +1 -28.17549101 +1 0.1622 H( 1925 LYS 48) 5.25889187 +1 -20.29721255 +1 -30.80335865 +1 0.0999 H( 1926 LYS 48) 4.39378410 +1 -21.83695542 +1 -30.55329369 +1 0.1294 H( 1927 LYS 48) 2.46430856 +1 -20.26217209 +1 -29.82618275 +1 0.2854 H( 1928 LYS 48) 3.24679135 +1 -19.16359242 +1 -30.73613131 +1 0.2543 H( 1929 HIS* 49) 9.18447635 +1 -22.97477353 +1 -28.03944030 +1 0.3657 H( 1930 HIS* 49) 7.79120915 +1 -25.53501732 +1 -27.40710029 +1 0.2253 H( 1931 HIS 49) 10.01753940 +1 -24.71016879 +1 -29.42842090 +1 0.1739 H( 1932 HIS 49) 9.36241863 +1 -26.35919735 +1 -29.23905776 +1 0.1854 H( 1933 HIS 49) 8.49854447 +1 -23.17973291 +1 -31.27289394 +1 0.1876 H( 1934 HIS 49) 4.99481961 +1 -25.52865494 +1 -31.19614790 +1 0.1976 H( 1935 HIS 49) 6.20436997 +1 -23.46077789 +1 -32.19123995 +1 0.3125 H( 1936 LEU* 50) 10.24137173 +1 -23.91983353 +1 -25.76119846 +1 0.3548 H( 1937 LEU* 50) 12.21222923 +1 -26.04966409 +1 -25.57347186 +1 0.1620 H( 1938 LEU 50) 12.81541282 +1 -24.80979577 +1 -23.42704407 +1 0.1379 H( 1939 LEU 50) 11.37653527 +1 -23.79899717 +1 -23.60591136 +1 0.1744 H( 1940 LEU 50) 12.30920684 +1 -22.87909116 +1 -25.78501441 +1 0.1644 H( 1941 LEU 50) 13.97826476 +1 -22.56690663 +1 -23.19199726 +1 0.1308 H( 1942 LEU 50) 12.52115800 +1 -21.66570789 +1 -23.62811093 +1 0.1599 H( 1943 LEU 50) 14.01249040 +1 -21.44294087 +1 -24.54818952 +1 0.1302 H( 1944 LEU 50) 14.86052094 +1 -24.38647455 +1 -24.88264919 +1 0.1310 H( 1945 LEU 50) 13.86968414 +1 -24.77510570 +1 -26.30843843 +1 0.1592 H( 1946 LEU 50) 14.74063517 +1 -23.25484313 +1 -26.23738302 +1 0.1338 H( 1947 LYS* 51) 12.24264929 +1 -27.80593291 +1 -24.01840316 +1 0.3305 H( 1948 LYS* 51) 9.78656754 +1 -27.94164118 +1 -22.27303579 +1 0.2280 H( 1949 LYS 51) 11.16207296 +1 -30.16662910 +1 -23.95301362 +1 0.1436 H( 1950 LYS 51) 9.91477269 +1 -30.45748416 +1 -22.73017224 +1 0.1533 H( 1951 LYS 51) 9.53817352 +1 -28.69467184 +1 -25.24841237 +1 0.1781 H( 1952 LYS 51) 8.30932612 +1 -28.96859598 +1 -24.02832466 +1 0.1689 H( 1953 LYS 51) 8.39308189 +1 -31.46197142 +1 -24.47331649 +1 0.1343 H( 1954 LYS 51) 7.92693415 +1 -30.50438522 +1 -25.88258860 +1 0.1556 H( 1955 LYS 51) 10.78830001 +1 -31.58766593 +1 -25.34862659 +1 0.1239 H( 1956 LYS 51) 10.32187784 +1 -30.59980470 +1 -26.75163989 +1 0.1513 H( 1957 LYS 51) 8.96051917 +1 -33.16148433 +1 -26.12646715 +1 0.2412 H( 1958 LYS 51) 9.00865375 +1 -32.36662033 +1 -27.55119197 +1 0.2526 H( 1959 THR* 52) 13.19164729 +1 -29.37149572 +1 -22.71307659 +1 0.3510 H( 1960 THR* 52) 13.00564845 +1 -30.31988941 +1 -19.91808484 +1 0.2085 H( 1961 THR 52) 15.32271129 +1 -31.18503664 +1 -20.35545595 +1 0.1464 H( 1962 THR 52) 16.14334531 +1 -30.82546507 +1 -22.59176157 +1 0.3581 H( 1963 THR 52) 14.70285769 +1 -32.81344715 +1 -22.10754671 +1 0.1559 H( 1964 THR 52) 13.16760931 +1 -32.36965339 +1 -21.37928123 +1 0.1834 H( 1965 THR 52) 13.63815033 +1 -31.65781448 +1 -22.92842856 +1 0.1695 H( 1966 GLU* 53) 14.70718260 +1 -29.62869852 +1 -18.32906492 +1 0.3476 H( 1967 GLU* 53) 14.89951277 +1 -26.73429122 +1 -18.22862698 +1 0.1966 H( 1968 GLU 53) 16.38771656 +1 -28.99844007 +1 -16.66151628 +1 0.1780 H( 1969 GLU 53) 14.81869607 +1 -28.32124641 +1 -16.21832002 +1 0.1744 H( 1970 GLU 53) 17.52314411 +1 -26.80520039 +1 -16.27296325 +1 0.1941 H( 1971 GLU 53) 15.97701049 +1 -25.97691212 +1 -16.06239742 +1 0.1927 H( 1972 GLU 53) 15.82411382 +1 -28.34611593 +1 -13.00900132 +1 0.4009 H( 1973 ALA* 54) 17.02102846 +1 -29.48420253 +1 -19.30136834 +1 0.3751 H( 1974 ALA* 54) 19.41146236 +1 -28.00714071 +1 -19.59016095 +1 0.1854 H( 1975 ALA 54) 19.98651629 +1 -29.80351671 +1 -21.23504107 +1 0.1608 H( 1976 ALA 54) 19.07630995 +1 -30.53581734 +1 -19.89950483 +1 0.1843 H( 1977 ALA 54) 18.28156454 +1 -30.24752892 +1 -21.45088139 +1 0.1647 H( 1978 GLU* 55) 16.62618130 +1 -28.39991347 +1 -21.95626270 +1 0.3673 H( 1979 GLU* 55) 17.94918722 +1 -26.83615326 +1 -24.01498859 +1 0.2067 H( 1980 GLU 55) 15.54729314 +1 -26.58104208 +1 -24.86745505 +1 0.1693 H( 1981 GLU 55) 14.91756141 +1 -27.28063704 +1 -23.36136749 +1 0.1886 H( 1982 GLU 55) 16.79000027 +1 -28.74765476 +1 -25.32601236 +1 0.1711 H( 1983 GLU 55) 16.15605764 +1 -29.44834553 +1 -23.85307949 +1 0.1924 H( 1984 GLU 55) 15.64254821 +1 -29.77733096 +1 -26.93377967 +1 0.4335 H( 1985 MET* 56) 15.70991697 +1 -26.03415515 +1 -21.23310223 +1 0.3674 H( 1986 MET* 56) 15.38001350 +1 -23.27574280 +1 -22.04727536 +1 0.1871 H( 1987 MET 56) 15.24445374 +1 -24.73081330 +1 -19.29879921 +1 0.1703 H( 1988 MET 56) 14.87506506 +1 -23.01588235 +1 -19.50524358 +1 0.1783 H( 1989 MET 56) 13.44102669 +1 -25.31173468 +1 -21.01547387 +1 0.1707 H( 1990 MET 56) 13.06749040 +1 -23.58795170 +1 -21.19669707 +1 0.1634 H( 1991 MET 56) 10.99334700 +1 -26.17195937 +1 -20.18199435 +1 0.1841 H( 1992 MET 56) 10.02280113 +1 -25.12366724 +1 -19.15969456 +1 0.2018 H( 1993 MET 56) 10.53389106 +1 -24.55662695 +1 -20.74920070 +1 0.1801 H( 1994 LYS* 57) 17.92001741 +1 -24.96573414 +1 -20.01574202 +1 0.3675 H( 1995 LYS* 57) 19.13073845 +1 -22.43608945 +1 -19.22184262 +1 0.1958 H( 1996 LYS 57) 21.16018973 +1 -24.13804882 +1 -18.90662743 +1 0.1647 H( 1997 LYS 57) 20.01653123 +1 -25.41011269 +1 -19.34434612 +1 0.1546 H( 1998 LYS 57) 20.02789686 +1 -25.32560044 +1 -16.96346950 +1 0.1429 H( 1999 LYS 57) 18.48387212 +1 -24.63649176 +1 -17.44255936 +1 0.1598 H( 2000 LYS 57) 20.97780008 +1 -22.88977106 +1 -16.84902950 +1 0.1557 H( 2001 LYS 57) 19.35035511 +1 -22.30143025 +1 -17.16614757 +1 0.1405 H( 2002 LYS 57) 19.84652117 +1 -22.33190820 +1 -14.70548512 +1 0.1501 H( 2003 LYS 57) 18.49333875 +1 -23.44525359 +1 -15.07607306 +1 0.1386 H( 2004 LYS 57) 21.31718700 +1 -24.23044481 +1 -14.66396597 +1 0.2515 H( 2005 LYS 57) 20.10258392 +1 -25.27646571 +1 -15.01989371 +1 0.2467 H( 2006 ALA* 58) 19.43042616 +1 -24.52898283 +1 -22.15690403 +1 0.3559 H( 2007 ALA* 58) 21.85941454 +1 -23.02704700 +1 -22.95017671 +1 0.1997 H( 2008 ALA 58) 21.63022936 +1 -24.53178160 +1 -24.99115648 +1 0.1828 H( 2009 ALA 58) 21.63731316 +1 -25.45528270 +1 -23.47048475 +1 0.1530 H( 2010 ALA 58) 20.12853087 +1 -25.20880040 +1 -24.36059975 +1 0.1722 H( 2011 SER* 59) 18.44960852 +1 -22.42347672 +1 -23.20028196 +1 0.3504 H( 2012 SER* 59) 18.49027158 +1 -21.30483330 +1 -25.84958080 +1 0.1822 H( 2013 SER 59) 16.59270743 +1 -20.91101977 +1 -23.40792884 +1 0.1726 H( 2014 SER 59) 16.35228543 +1 -21.97671156 +1 -24.84843703 +1 0.1544 H( 2015 SER 59) 15.65888057 +1 -20.17033810 +1 -25.87712239 +1 0.3400 H( 2016 GLU* 60) 19.38557665 +1 -19.44565559 +1 -26.54362063 +1 0.3306 H( 2017 GLU* 60) 20.32638725 +1 -17.41405444 +1 -24.69467949 +1 0.2107 H( 2018 GLU 60) 20.52507194 +1 -16.09980103 +1 -26.96938550 +1 0.1988 H( 2019 GLU 60) 19.92289359 +1 -17.53806772 +1 -27.79428452 +1 0.1580 H( 2020 GLU 60) 22.36452015 +1 -17.57471838 +1 -27.86422480 +1 0.1881 H( 2021 GLU 60) 21.86598422 +1 -18.89014860 +1 -26.78484509 +1 0.1785 H( 2022 GLU 60) 23.65054071 +1 -17.55882070 +1 -24.08521399 +1 0.4310 H( 2023 ASP* 61) 17.24608139 +1 -17.83306452 +1 -26.59181483 +1 0.3260 H( 2024 ASP* 61) 16.49959930 +1 -15.02272713 +1 -26.29944731 +1 0.2241 H( 2025 ASP 61) 14.83522603 +1 -17.63917757 +1 -26.76304817 +1 0.1759 H( 2026 ASP 61) 14.12100013 +1 -16.02130032 +1 -26.64353126 +1 0.2186 H( 2027 ASP 61) 15.12269336 +1 -17.02368862 +1 -30.21609366 +1 0.4449 H( 2028 LEU* 62) 16.01136697 +1 -18.07822245 +1 -24.29201979 +1 0.3447 H( 2029 LEU* 62) 14.18440750 +1 -16.72863134 +1 -22.47568982 +1 0.2031 H( 2030 LEU 62) 16.06508337 +1 -19.18499835 +1 -22.08853378 +1 0.1643 H( 2031 LEU 62) 14.45916727 +1 -19.23317751 +1 -22.82437207 +1 0.1605 H( 2032 LEU 62) 13.63242111 +1 -18.17752872 +1 -20.51518815 +1 0.1366 H( 2033 LEU 62) 14.59955696 +1 -21.09298098 +1 -20.85859694 +1 0.1462 H( 2034 LEU 62) 13.04918556 +1 -20.43844422 +1 -21.42232491 +1 0.1448 H( 2035 LEU 62) 13.38775306 +1 -20.55537596 +1 -19.69370044 +1 0.1541 H( 2036 LEU 62) 16.38661602 +1 -19.36359716 +1 -19.77073687 +1 0.1646 H( 2037 LEU 62) 15.08285163 +1 -19.10778966 +1 -18.60534046 +1 0.1443 H( 2038 LEU 62) 15.78793841 +1 -17.72796235 +1 -19.44740611 +1 0.1564 H( 2039 LYS* 63) 17.81868635 +1 -17.37318439 +1 -22.46291404 +1 0.3458 H( 2040 LYS* 63) 18.25946720 +1 -16.22187288 +1 -19.90689608 +1 0.1876 H( 2041 LYS 63) 20.04891729 +1 -16.20719317 +1 -22.46308223 +1 0.1624 H( 2042 LYS 63) 19.88594044 +1 -17.57444547 +1 -21.35532056 +1 0.1696 H( 2043 LYS 63) 20.88463740 +1 -14.77125242 +1 -20.50539163 +1 0.1689 H( 2044 LYS 63) 20.85526120 +1 -16.21884964 +1 -19.48280318 +1 0.1332 H( 2045 LYS 63) 23.13127767 +1 -15.73011450 +1 -20.47816055 +1 0.1458 H( 2046 LYS 63) 22.46972227 +1 -15.89098791 +1 -22.10035308 +1 0.1461 H( 2047 LYS 63) 22.55563262 +1 -18.10933588 +1 -19.95706691 +1 0.1135 H( 2048 LYS 63) 21.75963598 +1 -18.28763240 +1 -21.54314335 +1 0.1631 H( 2049 LYS 63) 24.64822609 +1 -18.01045532 +1 -21.04862647 +1 0.2597 H( 2050 LYS 63) 23.80783941 +1 -19.09187811 +1 -21.96599611 +1 0.2642 H( 2051 LYS* 64) 18.12762862 +1 -14.63489936 +1 -23.22533209 +1 0.3577 H( 2052 LYS* 64) 18.97553298 +1 -12.07319860 +1 -22.23288283 +1 0.2109 H( 2053 LYS 64) 17.71864265 +1 -11.28473487 +1 -24.36419142 +1 0.1756 H( 2054 LYS 64) 17.19795666 +1 -12.95301304 +1 -24.63725959 +1 0.1492 H( 2055 LYS 64) 20.09409338 +1 -11.88969979 +1 -24.57673196 +1 0.1603 H( 2056 LYS 64) 19.73721482 +1 -13.61201517 +1 -24.59775030 +1 0.1531 H( 2057 LYS 64) 18.76714411 +1 -11.56546256 +1 -26.69652629 +1 0.1571 H( 2058 LYS 64) 18.39447938 +1 -13.30406351 +1 -26.73954693 +1 0.1233 H( 2059 LYS 64) 20.86125882 +1 -13.83108613 +1 -26.83876100 +1 0.1075 H( 2060 LYS 64) 20.28011990 +1 -12.86930084 +1 -28.22276881 +1 0.1270 H( 2061 LYS 64) 22.10656968 +1 -11.65894101 +1 -27.62518712 +1 0.2424 H( 2062 LYS 64) 21.99997622 +1 -11.98868939 +1 -26.02701013 +1 0.2597 H( 2063 HIS* 65) 15.66003399 +1 -13.67680000 +1 -22.43411073 +1 0.3560 H( 2064 HIS* 65) 14.33620397 +1 -11.15576247 +1 -21.75282256 +1 0.2036 H( 2065 HIS 65) 13.33853821 +1 -14.05577886 +1 -21.21195917 +1 0.1716 H( 2066 HIS 65) 13.25714077 +1 -13.28488800 +1 -22.80358526 +1 0.1798 H( 2067 HIS 65) 11.03672811 +1 -13.44368941 +1 -19.64452051 +1 0.1789 H( 2068 HIS 65) 9.96100687 +1 -9.85318000 +1 -21.60322280 +1 0.1995 H( 2069 HIS 65) 9.39550916 +1 -11.50042603 +1 -19.65716134 +1 0.3910 H( 2070 GLY* 66) 15.77728265 +1 -13.92334218 +1 -19.82987986 +1 0.3639 H( 2071 GLY* 66) 16.17365107 +1 -14.06465328 +1 -17.57188495 +1 0.2080 H( 2072 GLY* 66) 14.63973521 +1 -13.16675267 +1 -17.31215882 +1 0.1824 H( 2073 VAL* 67) 17.67772724 +1 -12.08982311 +1 -19.06611174 +1 0.3614 H( 2074 VAL* 67) 18.55750683 +1 -10.41043474 +1 -16.88513665 +1 0.1802 H( 2075 VAL 67) 19.01684377 +1 -10.32921015 +1 -19.97542179 +1 0.1614 H( 2076 VAL 67) 20.98505701 +1 -8.87711991 +1 -19.40526035 +1 0.1693 H( 2077 VAL 67) 20.47543294 +1 -8.80001197 +1 -17.71069060 +1 0.1434 H( 2078 VAL 67) 19.47325888 +1 -8.07979965 +1 -18.97019477 +1 0.1559 H( 2079 VAL 67) 21.19522824 +1 -11.39107402 +1 -19.35208142 +1 0.1727 H( 2080 VAL 67) 19.86160326 +1 -12.40087609 +1 -18.81734014 +1 0.1569 H( 2081 VAL 67) 20.74670537 +1 -11.40570241 +1 -17.64015381 +1 0.1379 H( 2082 THR* 68) 16.36439914 +1 -9.85311903 +1 -19.72984841 +1 0.3556 H( 2083 THR* 68) 16.24680476 +1 -6.97882435 +1 -19.39270813 +1 0.2019 H( 2084 THR 68) 14.28968249 +1 -9.11456735 +1 -20.58306702 +1 0.1479 H( 2085 THR 68) 16.38105631 +1 -8.66274644 +1 -21.60661631 +1 0.3647 H( 2086 THR 68) 14.09508404 +1 -6.01096917 +1 -20.46777014 +1 0.1655 H( 2087 THR 68) 13.29043905 +1 -6.98045185 +1 -21.69421368 +1 0.1808 H( 2088 THR 68) 12.86072662 +1 -7.20532864 +1 -19.98373954 +1 0.1548 H( 2089 VAL* 69) 14.31923979 +1 -9.77648749 +1 -18.02181283 +1 0.3724 H( 2090 VAL* 69) 12.37373158 +1 -8.05647174 +1 -16.72163229 +1 0.1946 H( 2091 VAL 69) 13.40925794 +1 -10.95117260 +1 -16.16846288 +1 0.1638 H( 2092 VAL 69) 12.37477311 +1 -9.90499671 +1 -14.08589007 +1 0.1496 H( 2093 VAL 69) 11.35243259 +1 -11.17876973 +1 -14.75351953 +1 0.1496 H( 2094 VAL 69) 10.92009628 +1 -9.47824661 +1 -15.01518470 +1 0.1611 H( 2095 VAL 69) 12.22736566 +1 -10.60808379 +1 -18.37943840 +1 0.1822 H( 2096 VAL 69) 11.25128212 +1 -11.57383074 +1 -17.28412158 +1 0.1448 H( 2097 VAL 69) 10.84619750 +1 -9.86725015 +1 -17.54924428 +1 0.1550 H( 2098 LEU* 70) 15.46489239 +1 -9.67866268 +1 -15.45457827 +1 0.3708 H( 2099 LEU* 70) 14.91346258 +1 -8.54309920 +1 -12.81474631 +1 0.1875 H( 2100 LEU 70) 17.50441366 +1 -9.66400102 +1 -14.13346204 +1 0.1592 H( 2101 LEU 70) 17.33408637 +1 -9.22838158 +1 -12.42167416 +1 0.1586 H( 2102 LEU 70) 15.78894052 +1 -11.42023613 +1 -13.96728781 +1 0.1527 H( 2103 LEU 70) 18.11578089 +1 -12.01896495 +1 -13.30355695 +1 0.1707 H( 2104 LEU 70) 16.97018851 +1 -12.89765053 +1 -12.28620874 +1 0.1392 H( 2105 LEU 70) 17.82510108 +1 -11.49706502 +1 -11.63719736 +1 0.1416 H( 2106 LEU 70) 15.44808184 +1 -10.42874189 +1 -11.05522010 +1 0.1505 H( 2107 LEU 70) 14.78427785 +1 -11.94343236 +1 -11.67160980 +1 0.1426 H( 2108 LEU 70) 14.21303639 +1 -10.42017966 +1 -12.33304068 +1 0.1411 H( 2109 THR* 71) 16.68496631 +1 -7.29039155 +1 -15.74422309 +1 0.3730 H( 2110 THR* 71) 18.00701990 +1 -5.18719726 +1 -14.22306152 +1 0.1998 H( 2111 THR 71) 17.13226930 +1 -5.44983455 +1 -17.23333377 +1 0.1640 H( 2112 THR 71) 19.69105839 +1 -5.80145750 +1 -16.08343888 +1 0.3149 H( 2113 THR 71) 18.95753221 +1 -3.62598667 +1 -17.48324014 +1 0.1809 H( 2114 THR 71) 17.57044173 +1 -2.98526280 +1 -16.59644646 +1 0.1852 H( 2115 THR 71) 19.02376359 +1 -3.44366573 +1 -15.72266822 +1 0.1753 H( 2116 GLY* 72) 14.77632166 +1 -5.47059985 +1 -15.98892378 +1 0.3646 H( 2117 GLY* 72) 14.13633649 +1 -2.66756629 +1 -15.53641221 +1 0.1999 H( 2118 GLY* 72) 13.01700196 +1 -3.97683418 +1 -16.01239779 +1 0.1920 H( 2119 LEU* 73) 13.44764593 +1 -5.78208253 +1 -13.70946752 +1 0.3682 H( 2120 LEU* 73) 11.65637380 +1 -4.42877411 +1 -11.85414461 +1 0.1906 H( 2121 LEU 73) 13.36713040 +1 -7.02290304 +1 -11.59908637 +1 0.1539 H( 2122 LEU 73) 11.75989757 +1 -6.93440420 +1 -12.31797047 +1 0.1656 H( 2123 LEU 73) 12.51610562 +1 -6.41216324 +1 -9.36707177 +1 0.1456 H( 2124 LEU 73) 10.77072716 +1 -4.79321891 +1 -9.91580692 +1 0.1583 H( 2125 LEU 73) 9.96596518 +1 -6.12544924 +1 -9.09979460 +1 0.1431 H( 2126 LEU 73) 9.83713671 +1 -5.98020025 +1 -10.85110283 +1 0.1489 H( 2127 LEU 73) 12.32856138 +1 -8.82246994 +1 -10.13800612 +1 0.1386 H( 2128 LEU 73) 10.68077314 +1 -8.51513949 +1 -10.70888583 +1 0.1462 H( 2129 LEU 73) 11.06068333 +1 -8.39341786 +1 -8.98609781 +1 0.1404 H( 2130 GLY* 74) 15.27896974 +1 -5.02000603 +1 -11.95839142 +1 0.3640 H( 2131 GLY* 74) 16.91618282 +1 -4.16588030 +1 -10.61589754 +1 0.1936 H( 2132 GLY* 74) 15.76936247 +1 -4.26821109 +1 -9.23505722 +1 0.1900 H( 2133 ALA* 75) 15.46002087 +1 -2.32048975 +1 -12.32892586 +1 0.3574 H( 2134 ALA* 75) 16.19903060 +1 0.16398380 +1 -11.08174224 +1 0.1786 H( 2135 ALA 75) 16.08113939 +1 -0.23902966 +1 -13.59811054 +1 0.1859 H( 2136 ALA 75) 14.32933012 +1 -0.43752531 +1 -13.51645818 +1 0.1728 H( 2137 ALA 75) 15.05880077 +1 1.12964905 +1 -13.13959740 +1 0.1734 H( 2138 ILE* 76) 13.01520816 +1 -1.57821853 +1 -11.45275006 +1 0.3596 H( 2139 ILE* 76) 11.41758544 +1 0.60832436 +1 -10.42246248 +1 0.1937 H( 2140 ILE 76) 11.10401348 +1 -2.49806035 +1 -10.48691013 +1 0.1540 H( 2141 ILE 76) 11.14723884 +1 -1.07799512 +1 -12.66250566 +1 0.1564 H( 2142 ILE 76) 9.69230632 +1 -0.25771815 +1 -12.07590419 +1 0.1408 H( 2143 ILE 76) 9.71660793 +1 -1.67884468 +1 -8.60238305 +1 0.1456 H( 2144 ILE 76) 8.65009843 +1 -2.01947073 +1 -9.95948778 +1 0.1533 H( 2145 ILE 76) 9.06397295 +1 -0.35279446 +1 -9.56459991 +1 0.1721 H( 2146 ILE 76) 9.92472441 +1 -3.28213953 +1 -12.63491839 +1 0.1359 H( 2147 ILE 76) 8.45941511 +1 -2.46728389 +1 -12.07258961 +1 0.1425 H( 2148 ILE 76) 9.13372412 +1 -2.08927257 +1 -13.66628366 +1 0.1475 H( 2149 LEU* 77) 13.00291716 +1 -2.28278932 +1 -8.77074590 +1 0.3713 H( 2150 LEU* 77) 11.83802136 +1 -1.63244173 +1 -6.20582312 +1 0.1870 H( 2151 LEU 77) 14.46115544 +1 -3.11286795 +1 -6.99983579 +1 0.1689 H( 2152 LEU 77) 13.76892209 +1 -3.08911767 +1 -5.37371342 +1 0.1580 H( 2153 LEU 77) 12.34484558 +1 -4.21126819 +1 -7.89107759 +1 0.1604 H( 2154 LEU 77) 14.35408955 +1 -5.54703222 +1 -7.22843059 +1 0.1554 H( 2155 LEU 77) 12.87923214 +1 -6.42861368 +1 -6.85857472 +1 0.1441 H( 2156 LEU 77) 13.78273348 +1 -5.64568360 +1 -5.55946975 +1 0.1396 H( 2157 LEU 77) 11.60410688 +1 -4.27567544 +1 -4.88674933 +1 0.1376 H( 2158 LEU 77) 10.78824133 +1 -5.20134304 +1 -6.14856593 +1 0.1446 H( 2159 LEU 77) 10.71931645 +1 -3.44015349 +1 -6.17961417 +1 0.1422 H( 2160 LYS* 78) 14.90516187 +1 -0.49202486 +1 -7.84353287 +1 0.3660 H( 2161 LYS* 78) 15.92814428 +1 0.66988640 +1 -5.38524313 +1 0.1880 H( 2162 LYS 78) 17.31692922 +1 2.02622246 +1 -7.10045678 +1 0.1709 H( 2163 LYS 78) 16.40969730 +1 1.26191458 +1 -8.40485761 +1 0.1602 H( 2164 LYS 78) 18.09845210 +1 -0.20217779 +1 -6.26960995 +1 0.1373 H( 2165 LYS 78) 17.09428997 +1 -1.04253611 +1 -7.45794411 +1 0.1686 H( 2166 LYS 78) 19.44471229 +1 0.84295171 +1 -8.13136606 +1 0.1406 H( 2167 LYS 78) 18.39425480 +1 0.08552228 +1 -9.33107457 +1 0.1537 H( 2168 LYS 78) 20.12159296 +1 -1.41638620 +1 -7.24905083 +1 0.1258 H( 2169 LYS 78) 18.95406538 +1 -2.20658275 +1 -8.33310205 +1 0.1270 H( 2170 LYS 78) 21.14680659 +1 -2.24449495 +1 -9.31668129 +1 0.2880 H( 2171 LYS 78) 20.31511368 +1 -1.12814925 +1 -10.18503692 +1 0.2787 H( 2172 LYS* 79) 13.32546463 +1 1.70868888 +1 -7.58887727 +1 0.3636 H( 2173 LYS* 79) 13.54303700 +1 4.51723404 +1 -6.76149009 +1 0.1986 H( 2174 LYS 79) 11.20639945 +1 2.83229980 +1 -7.95240802 +1 0.1621 H( 2175 LYS 79) 11.19526666 +1 4.59334474 +1 -7.74067703 +1 0.1854 H( 2176 LYS 79) 13.11222042 +1 2.98366355 +1 -9.55777800 +1 0.1559 H( 2177 LYS 79) 11.72491291 +1 3.94605087 +1 -10.07535733 +1 0.1542 H( 2178 LYS 79) 14.23791524 +1 5.05058501 +1 -8.64447794 +1 0.1474 H( 2179 LYS 79) 13.90388581 +1 5.15590258 +1 -10.35837801 +1 0.1340 H( 2180 LYS 79) 12.13747869 +1 6.42798209 +1 -8.13600734 +1 0.1548 H( 2181 LYS 79) 11.74827270 +1 6.46402760 +1 -9.86371894 +1 0.1525 H( 2182 LYS 79) 14.11863888 +1 7.67294103 +1 -8.57353970 +1 0.2454 H( 2183 LYS 79) 13.91834561 +1 7.59873531 +1 -10.19547152 +1 0.2359 H( 2184 LYS* 80) 12.65513818 +1 1.63836467 +1 -5.06655061 +1 0.3650 H( 2185 LYS* 80) 11.42077827 +1 1.20718788 +1 -3.24826693 +1 0.1859 H( 2186 LYS 80) 12.35554750 +1 4.09440491 +1 -2.59156055 +1 0.1763 H( 2187 LYS 80) 11.76250663 +1 2.90968251 +1 -1.40708798 +1 0.1445 H( 2188 LYS 80) 14.25869074 +1 2.57157550 +1 -3.19771137 +1 0.1644 H( 2189 LYS 80) 13.63629522 +1 1.32072523 +1 -2.12219072 +1 0.1402 H( 2190 LYS 80) 15.40131548 +1 2.42209212 +1 -0.92376723 +1 0.1396 H( 2191 LYS 80) 13.90098694 +1 2.95633110 +1 -0.15255261 +1 0.1397 H( 2192 LYS 80) 15.39298889 +1 4.58363413 +1 -2.33693991 +1 0.1570 H( 2193 LYS 80) 13.98165082 +1 5.13532063 +1 -1.39767132 +1 0.1474 H( 2194 LYS 80) 16.68592776 +1 4.53871829 +1 -0.38567402 +1 0.2665 H( 2195 LYS 80) 15.42810686 +1 4.74056147 +1 0.63902227 +1 0.2656 H( 2196 GLY* 81) 9.53392229 +1 1.67053978 +1 -5.12874581 +1 0.3754 H( 2197 GLY* 81) 7.46150366 +1 3.11572675 +1 -3.51401971 +1 0.1938 H( 2198 GLY* 81) 7.23356655 +1 1.92776143 +1 -4.82934068 +1 0.1887 H( 2199 HIS* 82) 9.43423378 +1 4.75184199 +1 -5.30612585 +1 0.3638 H( 2200 HIS* 82) 7.18750215 +1 6.25378561 +1 -6.61227671 +1 0.1865 H( 2201 HIS 82) 10.20313209 +1 6.98707110 +1 -6.49959636 +1 0.1894 H( 2202 HIS 82) 9.15392669 +1 7.19841305 +1 -5.08181778 +1 0.1941 H( 2203 HIS 82) 10.14787850 +1 9.27740432 +1 -8.14760950 +1 0.2033 H( 2204 HIS 82) 6.42298745 +1 10.81251341 +1 -6.87579956 +1 0.2030 H( 2205 HIS 82) 8.48039034 +1 11.13142876 +1 -8.41981396 +1 0.3506 H( 2206 HIS* 83) 7.18364940 +1 4.08202312 +1 -7.98910917 +1 0.3456 H( 2207 HIS* 83) 9.24745249 +1 4.27728069 +1 -10.19403733 +1 0.2291 H( 2208 HIS 83) 9.30835916 +1 2.15295998 +1 -9.08760741 +1 0.1813 H( 2209 HIS 83) 8.40723723 +1 1.85414268 +1 -10.58250130 +1 0.1871 H( 2210 HIS 83) 5.33031877 +1 2.89252837 +1 -9.31446048 +1 0.1998 H( 2211 HIS 83) 6.03549616 +1 -0.31977674 +1 -6.65078008 +1 0.2260 H( 2212 HIS 83) 4.32697730 +1 1.41846055 +1 -7.57582040 +1 0.3460 H( 2213 GLU* 84) 6.51435491 +1 5.88327078 +1 -10.14222240 +1 0.3542 H( 2214 GLU* 84) 4.76466322 +1 4.71586862 +1 -12.04173857 +1 0.2181 H( 2215 GLU 84) 5.65263092 +1 7.70072786 +1 -11.76947863 +1 0.1673 H( 2216 GLU 84) 4.47839490 +1 6.89326340 +1 -10.72002064 +1 0.1851 H( 2217 GLU 84) 3.18304080 +1 8.10845277 +1 -12.31525838 +1 0.1923 H( 2218 GLU 84) 3.02231913 +1 6.39162000 +1 -12.75421802 +1 0.2027 H( 2219 GLU 84) 3.82054132 +1 7.51328431 +1 -16.01614592 +1 0.4252 H( 2220 ALA* 85) 7.89809442 +1 6.54668017 +1 -12.61653183 +1 0.3571 H( 2221 ALA* 85) 7.48734808 +1 6.75484676 +1 -15.48515759 +1 0.2033 H( 2222 ALA 85) 10.13222328 +1 6.69983325 +1 -13.81713880 +1 0.1648 H( 2223 ALA 85) 9.14235063 +1 8.13907804 +1 -14.10906517 +1 0.1782 H( 2224 ALA 85) 9.92198202 +1 7.31504991 +1 -15.46469192 +1 0.1777 H( 2225 GLU* 86) 8.71832838 +1 4.07346124 +1 -13.37262777 +1 0.3655 H( 2226 GLU* 86) 9.82735658 +1 2.72507533 +1 -15.77788768 +1 0.1865 H( 2227 GLU 86) 10.18801775 +1 0.86073209 +1 -14.04198763 +1 0.1781 H( 2228 GLU 86) 9.44372293 +1 1.90271450 +1 -12.79736207 +1 0.1775 H( 2229 GLU 86) 12.01543140 +1 2.54402782 +1 -14.39415053 +1 0.1747 H( 2230 GLU 86) 11.96118017 +1 1.88169887 +1 -12.76010208 +1 0.1837 H( 2231 GLU 86) 13.19900504 +1 4.48206433 +1 -13.25112121 +1 0.4395 H( 2232 LEU* 87) 6.82977917 +1 2.60059363 +1 -13.72501296 +1 0.3708 H( 2233 LEU* 87) 6.04305882 +1 0.02327866 +1 -14.89516875 +1 0.1865 H( 2234 LEU 87) 4.43396134 +1 2.22248016 +1 -13.38034282 +1 0.1665 H( 2235 LEU 87) 3.82780040 +1 0.62011236 +1 -13.80996700 +1 0.1698 H( 2236 LEU 87) 6.13196625 +1 1.28390430 +1 -11.85658730 +1 0.1455 H( 2237 LEU 87) 4.58326970 +1 0.22640558 +1 -10.22082243 +1 0.1368 H( 2238 LEU 87) 3.39142947 +1 -0.10139957 +1 -11.48505522 +1 0.1529 H( 2239 LEU 87) 3.76888593 +1 1.57587754 +1 -11.03590065 +1 0.1608 H( 2240 LEU 87) 6.76146820 +1 -0.77587743 +1 -13.07958526 +1 0.1379 H( 2241 LEU 87) 6.16089451 +1 -1.24052651 +1 -11.49378390 +1 0.1364 H( 2242 LEU 87) 5.12519233 +1 -1.44738363 +1 -12.90936811 +1 0.1539 H( 2243 LYS* 88) 5.54847193 +1 3.46785107 +1 -15.85496173 +1 0.3572 H( 2244 LYS* 88) 3.24136720 +1 3.05797247 +1 -17.45687034 +1 0.2016 H( 2245 LYS 88) 5.71992294 +1 4.88984229 +1 -18.01442148 +1 0.1604 H( 2246 LYS 88) 4.45269551 +1 5.24246224 +1 -16.85637661 +1 0.1699 H( 2247 LYS 88) 3.94364553 +1 4.80205210 +1 -19.87381474 +1 0.1525 H( 2248 LYS 88) 2.72673074 +1 5.22045721 +1 -18.67178317 +1 0.1607 H( 2249 LYS 88) 5.22119816 +1 6.90416433 +1 -19.41392254 +1 0.1511 H( 2250 LYS 88) 4.14635395 +1 7.32806506 +1 -18.09732117 +1 0.1399 H( 2251 LYS 88) 3.53562020 +1 8.56305957 +1 -20.19617644 +1 0.1289 H( 2252 LYS 88) 3.29137788 +1 7.03619635 +1 -21.06955412 +1 0.1452 H( 2253 LYS 88) 1.77872590 +1 7.52004610 +1 -18.58173077 +1 0.2491 H( 2254 LYS 88) 1.33484294 +1 6.66775324 +1 -19.90041263 +1 0.2636 H( 2255 PRO* 89) 5.90163566 +1 1.88834825 +1 -21.19525090 +1 0.1911 H( 2256 PRO 89) 8.57354390 +1 1.12521188 +1 -20.90684559 +1 0.1566 H( 2257 PRO 89) 8.10206458 +1 2.80553341 +1 -21.13040072 +1 0.1662 H( 2258 PRO 89) 9.34433246 +1 2.84185494 +1 -19.00623336 +1 0.1594 H( 2259 PRO 89) 8.59672510 +1 1.35487396 +1 -18.43801355 +1 0.1639 H( 2260 PRO 89) 7.25691918 +1 4.12078039 +1 -18.88233929 +1 0.1701 H( 2261 PRO 89) 7.18779957 +1 3.07395812 +1 -17.42245552 +1 0.1596 H( 2262 LEU* 90) 6.66888438 +1 0.11547420 +1 -18.11043338 +1 0.3475 H( 2263 LEU* 90) 6.86298333 +1 -2.45357616 +1 -19.47850805 +1 0.1959 H( 2264 LEU 90) 7.73789962 +1 -1.98256971 +1 -17.15758055 +1 0.1609 H( 2265 LEU 90) 6.10468584 +1 -1.67311158 +1 -16.55965048 +1 0.1541 H( 2266 LEU 90) 5.41822429 +1 -4.00791845 +1 -16.88038775 +1 0.1541 H( 2267 LEU 90) 8.13031181 +1 -4.31481213 +1 -18.31386205 +1 0.1263 H( 2268 LEU 90) 7.15615200 +1 -5.68406299 +1 -17.74414452 +1 0.1559 H( 2269 LEU 90) 6.49675377 +1 -4.61164253 +1 -18.95804403 +1 0.1732 H( 2270 LEU 90) 8.25855472 +1 -3.84924880 +1 -15.65133246 +1 0.1386 H( 2271 LEU 90) 7.05863516 +1 -5.09788402 +1 -15.33068771 +1 0.1484 H( 2272 LEU 90) 6.75379056 +1 -3.42888460 +1 -14.81502618 +1 0.1369 H( 2273 ALA* 91) 4.10904829 +1 -0.46598055 +1 -18.14015088 +1 0.3660 H( 2274 ALA* 91) 2.18210464 +1 -2.64465974 +1 -18.30327794 +1 0.1766 H( 2275 ALA 91) 1.80625485 +1 0.44645948 +1 -18.59560294 +1 0.1806 H( 2276 ALA 91) 1.84030225 +1 -0.42441299 +1 -17.05791268 +1 0.1760 H( 2277 ALA 91) 0.54071230 +1 -0.74337280 +1 -18.23543897 +1 0.1712 H( 2278 GLN* 92) 3.56354227 +1 -0.17883278 +1 -20.58097456 +1 0.3496 H( 2279 GLN* 92) 1.72475768 +1 -0.59427445 +1 -22.71678530 +1 0.1928 H( 2280 GLN 92) 4.80689223 +1 -0.11774409 +1 -22.93749424 +1 0.1788 H( 2281 GLN 92) 3.69349923 +1 1.14213653 +1 -22.38728450 +1 0.1773 H( 2282 GLN 92) 4.18403187 +1 1.35353887 +1 -24.82195027 +1 0.1848 H( 2283 GLN 92) 3.58775835 +1 -0.27946660 +1 -25.11442085 +1 0.1778 H( 2284 GLN 92) 1.62411360 +1 -0.04277055 +1 -26.16016580 +1 0.3241 H( 2285 GLN 92) 0.42776008 +1 1.11741880 +1 -25.85189019 +1 0.3306 H( 2286 SER* 93) 4.88139465 +1 -2.28875496 +1 -21.90888878 +1 0.3616 H( 2287 SER* 93) 4.68163545 +1 -4.06764602 +1 -24.17676124 +1 0.2065 H( 2288 SER 93) 6.48814002 +1 -5.31392395 +1 -22.95020458 +1 0.1359 H( 2289 SER 93) 6.17967976 +1 -4.35769304 +1 -21.44411018 +1 0.1462 H( 2290 SER 93) 7.55046823 +1 -2.96576401 +1 -22.32402473 +1 0.3821 H( 2291 HIS* 94) 3.39115738 +1 -4.27663375 +1 -20.80858902 +1 0.3636 H( 2292 HIS* 94) 2.69137897 +1 -7.13604015 +1 -21.24614816 +1 0.1852 H( 2293 HIS 94) 2.64416759 +1 -5.09869388 +1 -18.91913591 +1 0.1810 H( 2294 HIS 94) 1.56366449 +1 -6.51697257 +1 -18.83834184 +1 0.1889 H( 2295 HIS 94) 5.00361636 +1 -7.57235135 +1 -20.43762961 +1 0.1694 H( 2296 HIS 94) 5.21122973 +1 -8.39159349 +1 -16.31193455 +1 0.1866 H( 2297 ALA* 95) 0.96589421 +1 -4.02453051 +1 -21.59981884 +1 0.3642 H( 2298 ALA* 95) -1.56738591 +1 -5.69114888 +1 -21.48837492 +1 0.1927 H( 2299 ALA 95) -1.07866627 +1 -2.70352943 +1 -20.79486199 +1 0.1768 H( 2300 ALA 95) -1.45886980 +1 -4.01242170 +1 -19.67271580 +1 0.1589 H( 2301 ALA 95) -2.66921249 +1 -3.47632243 +1 -20.87254818 +1 0.1762 H( 2302 THR* 96) 0.34281234 +1 -4.58618263 +1 -23.92383793 +1 0.3355 H( 2303 THR* 96) -2.15975704 +1 -4.02779277 +1 -25.53490021 +1 0.2157 H( 2304 THR* 96) -0.61999686 +1 -2.66212476 +1 -27.04146276 +1 0.1573 H( 2305 THR 96) 1.44554472 +1 -2.88174018 +1 -25.10315503 +1 0.3704 H( 2306 THR 96) -0.01933885 +1 -1.56192652 +1 -24.24548416 +1 0.1664 H( 2307 THR 96) -1.73456676 +1 -1.82940573 +1 -24.56795344 +1 0.1788 H( 2308 THR 96) -0.80776786 +1 -0.74139003 +1 -25.59966994 +1 0.1619 H( 2309 LYS* 97) -0.25505142 +1 -10.50910160 +1 -23.68409010 +1 0.2366 H( 2310 LYS* 97) -1.38097874 +1 -8.38819148 +1 -22.33770182 +1 0.2090 H( 2311 LYS 97) -3.39250073 +1 -10.72531933 +1 -22.74680553 +1 0.1624 H( 2312 LYS 97) -3.58515255 +1 -9.44439123 +1 -21.53721223 +1 0.1328 H( 2313 LYS 97) -3.47209830 +1 -9.06603871 +1 -24.58216579 +1 0.1670 H( 2314 LYS 97) -4.95108812 +1 -9.06268774 +1 -23.60060546 +1 0.1520 H( 2315 LYS 97) -2.61927262 +1 -7.04109574 +1 -23.34914902 +1 0.1409 H( 2316 LYS 97) -4.01717178 +1 -7.06697053 +1 -22.27286137 +1 0.1439 H( 2317 LYS 97) -4.30353968 +1 -5.38653951 +1 -24.13652038 +1 0.1630 H( 2318 LYS 97) -5.57423481 +1 -6.63570838 +1 -24.19195523 +1 0.1422 H( 2319 LYS 97) -3.11337336 +1 -6.63499376 +1 -25.84680424 +1 0.2567 H( 2320 LYS 97) -4.29434442 +1 -7.76837993 +1 -25.92017149 +1 0.2551 H( 2321 ILE* 98) -0.14662251 +1 -8.76860188 +1 -20.45627209 +1 0.3770 H( 2322 ILE* 98) 0.17235484 +1 -11.61670405 +1 -19.54442844 +1 0.1719 H( 2323 ILE 98) 1.62735314 +1 -9.00316798 +1 -18.68015330 +1 0.1944 H( 2324 ILE 98) 3.50145805 +1 -9.92086456 +1 -20.10182977 +1 0.1430 H( 2325 ILE 98) 2.11461701 +1 -9.40515733 +1 -21.03987065 +1 0.1666 H( 2326 ILE 98) 3.21781256 +1 -10.51287361 +1 -17.63401728 +1 0.1656 H( 2327 ILE 98) 2.33481313 +1 -11.98864411 +1 -18.20635935 +1 0.1131 H( 2328 ILE 98) 1.62099923 +1 -10.88074163 +1 -17.01283600 +1 0.1727 H( 2329 ILE 98) 3.02918079 +1 -11.60232320 +1 -21.86870609 +1 0.1534 H( 2330 ILE 98) 2.56013723 +1 -12.38540215 +1 -20.32826160 +1 0.1191 H( 2331 ILE 98) 1.34684591 +1 -11.72416592 +1 -21.41522315 +1 0.1733 H( 2332 PRO* 99) -3.01408531 +1 -10.01636718 +1 -16.71556416 +1 0.1698 H( 2333 PRO 99) -3.82569855 +1 -12.45410603 +1 -15.64580992 +1 0.1632 H( 2334 PRO 99) -4.25228777 +1 -11.96795019 +1 -17.27699104 +1 0.1647 H( 2335 PRO 99) -1.80398841 +1 -13.66894039 +1 -16.44032509 +1 0.1527 H( 2336 PRO 99) -3.06745222 +1 -14.12025051 +1 -17.57478649 +1 0.1653 H( 2337 PRO 99) -0.79517632 +1 -12.99814697 +1 -18.54019048 +1 0.1396 H( 2338 PRO 99) -2.33773215 +1 -12.43842841 +1 -19.24412525 +1 0.1660 H( 2339 ILE*100) -3.42742488 +1 -9.92920495 +1 -14.43909189 +1 0.3627 H( 2340 ILE*100) -1.05672929 +1 -9.46946402 +1 -12.89309679 +1 0.1916 H( 2341 ILE 100) -4.02868585 +1 -10.04175232 +1 -12.11529472 +1 0.1401 H( 2342 ILE 100) -2.47314091 +1 -7.38028117 +1 -12.27174714 +1 0.1534 H( 2343 ILE 100) -3.38177967 +1 -8.01379346 +1 -13.64017198 +1 0.1377 H( 2344 ILE 100) -1.68735213 +1 -8.96792553 +1 -10.40503299 +1 0.1590 H( 2345 ILE 100) -2.62086100 +1 -10.44264803 +1 -10.12683808 +1 0.1436 H( 2346 ILE 100) -3.38489071 +1 -8.86042503 +1 -9.94658682 +1 0.1671 H( 2347 ILE 100) -4.55181837 +1 -7.18587057 +1 -10.92037805 +1 0.1532 H( 2348 ILE 100) -5.49003108 +1 -8.03032531 +1 -12.15320773 +1 0.1416 H( 2349 ILE 100) -4.82731023 +1 -6.44068121 +1 -12.49354178 +1 0.1710 H( 2350 LYS*101) -3.27643127 +1 -12.35722921 +1 -13.18804864 +1 0.3642 H( 2351 LYS*101) -2.19011334 +1 -13.86652744 +1 -11.04593606 +1 0.1959 H( 2352 LYS 101) -3.17323973 +1 -14.69090126 +1 -13.87455767 +1 0.1470 H( 2353 LYS 101) -4.19320237 +1 -14.43036164 +1 -12.45200772 +1 0.1701 H( 2354 LYS 101) -2.03817671 +1 -16.63354916 +1 -12.66585958 +1 0.1489 H( 2355 LYS 101) -3.05220436 +1 -16.35806287 +1 -11.26839952 +1 0.1761 H( 2356 LYS 101) -4.04719240 +1 -18.09948359 +1 -12.62787254 +1 0.2038 H( 2357 LYS 101) -5.13425362 +1 -16.73463732 +1 -12.62096428 +1 0.1406 H( 2358 LYS 101) -3.11916124 +1 -17.32182627 +1 -14.90692710 +1 0.1280 H( 2359 LYS 101) -4.28054997 +1 -15.96040251 +1 -14.89170683 +1 0.1185 H( 2360 LYS 101) -4.88537787 +1 -18.81641949 +1 -15.10804174 +1 0.2720 H( 2361 LYS 101) -6.03152509 +1 -17.75896672 +1 -14.65395552 +1 0.2396 H( 2362 TYR*102) -0.76873357 +1 -13.26078275 +1 -14.34551978 +1 0.3545 H( 2363 TYR*102) 1.24360618 +1 -15.40247209 +1 -13.94650483 +1 0.1934 H( 2364 TYR 102) 2.33393239 +1 -14.01343824 +1 -15.92569246 +1 0.1540 H( 2365 TYR 102) 0.83580595 +1 -13.05503539 +1 -15.95946950 +1 0.1944 H( 2366 TYR 102) -0.61921090 +1 -16.01897534 +1 -15.04037034 +1 0.1701 H( 2367 TYR 102) 1.59494195 +1 -14.42531559 +1 -18.37741623 +1 0.1402 H( 2368 TYR 102) -1.70304616 +1 -17.63475517 +1 -16.54199646 +1 0.1886 H( 2369 TYR 102) 0.50916943 +1 -16.05373210 +1 -19.86803582 +1 0.1766 H( 2370 TYR 102) -0.96515581 +1 -17.80350071 +1 -20.11503248 +1 0.4052 H( 2371 LEU*103) 0.94106048 +1 -11.81789119 +1 -13.35845628 +1 0.3670 H( 2372 LEU*103) 3.76656102 +1 -11.45640238 +1 -12.78017917 +1 0.1817 H( 2373 LEU 103) 2.92725117 +1 -9.46127312 +1 -11.49173204 +1 0.1623 H( 2374 LEU 103) 1.25453716 +1 -10.03435537 +1 -11.60916126 +1 0.1662 H( 2375 LEU 103) 1.28000110 +1 -9.77395259 +1 -14.10204549 +1 0.1476 H( 2376 LEU 103) 2.31157942 +1 -7.26834536 +1 -12.61432052 +1 0.1416 H( 2377 LEU 103) 0.63563025 +1 -7.84227857 +1 -12.59474425 +1 0.1370 H( 2378 LEU 103) 1.36240590 +1 -7.30947626 +1 -14.10959072 +1 0.1742 H( 2379 LEU 103) 4.18197120 +1 -8.80701218 +1 -13.63995655 +1 0.1380 H( 2380 LEU 103) 3.66367703 +1 -10.21095249 +1 -14.59276445 +1 0.1242 H( 2381 LEU 103) 3.26010963 +1 -8.58530158 +1 -15.13344592 +1 0.1840 H( 2382 GLU*104) 0.89994020 +1 -12.67277912 +1 -10.89707163 +1 0.3729 H( 2383 GLU*104) 2.33109647 +1 -12.66277710 +1 -8.35138976 +1 0.1898 H( 2384 GLU 104) 0.50583898 +1 -14.35218152 +1 -7.74112886 +1 0.1587 H( 2385 GLU 104) -0.02250390 +1 -14.43348925 +1 -9.42655957 +1 0.2091 H( 2386 GLU 104) -0.04367365 +1 -11.85249160 +1 -7.68707493 +1 0.1996 H( 2387 GLU 104) -0.54675352 +1 -11.92708297 +1 -9.38030858 +1 0.2157 H( 2388 GLU 104) -3.33052996 +1 -12.40452116 +1 -6.77080048 +1 0.4398 H( 2389 PHE*105) 1.83836858 +1 -15.14901519 +1 -11.03498996 +1 0.3800 H( 2390 PHE*105) 3.23399886 +1 -17.23748452 +1 -9.67829868 +1 0.1875 H( 2391 PHE 105) 3.76196465 +1 -18.04164189 +1 -12.06104517 +1 0.1640 H( 2392 PHE 105) 3.16890162 +1 -16.49581522 +1 -12.71112103 +1 0.1843 H( 2393 PHE 105) 1.40802947 +1 -18.01380718 +1 -9.78555772 +1 0.1417 H( 2394 PHE 105) 1.53911799 +1 -17.70644759 +1 -14.07105380 +1 0.1393 H( 2395 PHE 105) -0.83285874 +1 -19.01486007 +1 -9.92429707 +1 0.1534 H( 2396 PHE 105) -0.70654053 +1 -18.72827929 +1 -14.21092337 +1 0.1670 H( 2397 PHE 105) -1.90900766 +1 -19.37408686 +1 -12.14111192 +1 0.1761 H( 2398 ILE*106) 4.58889539 +1 -14.52409953 +1 -11.80856747 +1 0.3789 H( 2399 ILE*106) 7.25503971 +1 -15.75653341 +1 -11.51748444 +1 0.1803 H( 2400 ILE 106) 6.41117249 +1 -14.20466022 +1 -13.43979324 +1 0.1561 H( 2401 ILE 106) 9.05957696 +1 -13.51213324 +1 -11.99458405 +1 0.1560 H( 2402 ILE 106) 8.80165325 +1 -14.97512238 +1 -12.93840204 +1 0.1331 H( 2403 ILE 106) 7.19808998 +1 -11.94773551 +1 -11.46917758 +1 0.1546 H( 2404 ILE 106) 5.52721525 +1 -12.36208170 +1 -11.85051616 +1 0.1743 H( 2405 ILE 106) 6.60124518 +1 -11.77654203 +1 -13.12114993 +1 0.1598 H( 2406 ILE 106) 9.96199434 +1 -13.30014927 +1 -14.32948150 +1 0.1399 H( 2407 ILE 106) 8.34742001 +1 -13.55122161 +1 -15.00510989 +1 0.1454 H( 2408 ILE 106) 8.68725193 +1 -12.10511633 +1 -14.05943185 +1 0.1528 H( 2409 SER*107) 5.32367059 +1 -13.32750121 +1 -9.58015689 +1 0.3792 H( 2410 SER*107) 7.62310292 +1 -12.39110627 +1 -8.10941580 +1 0.1800 H( 2411 SER 107) 5.80124293 +1 -11.94777432 +1 -6.30326316 +1 0.1481 H( 2412 SER 107) 4.58803891 +1 -12.74067318 +1 -7.39441990 +1 0.1825 H( 2413 SER 107) 6.12403385 +1 -10.48722908 +1 -8.18856651 +1 0.3099 H( 2414 GLU*108) 5.40684480 +1 -15.27627501 +1 -7.76682171 +1 0.3699 H( 2415 GLU*108) 6.56125051 +1 -16.19455270 +1 -5.29128049 +1 0.1888 H( 2416 GLU 108) 5.68125013 +1 -18.49927687 +1 -6.38834069 +1 0.1738 H( 2417 GLU 108) 5.06447791 +1 -17.49044190 +1 -7.69264212 +1 0.1851 H( 2418 GLU 108) 4.12202428 +1 -17.71566546 +1 -4.79979587 +1 0.1993 H( 2419 GLU 108) 4.10775078 +1 -16.07740149 +1 -5.46355357 +1 0.2030 H( 2420 GLU 108) 1.89630246 +1 -15.91470768 +1 -5.72217261 +1 0.4210 H( 2421 ALA*109) 7.45950955 +1 -16.73286042 +1 -8.77909589 +1 0.3552 H( 2422 ALA*109) 9.46561264 +1 -18.74379091 +1 -8.16629813 +1 0.1870 H( 2423 ALA 109) 10.27505130 +1 -18.13860727 +1 -10.51762072 +1 0.1831 H( 2424 ALA 109) 8.52221837 +1 -18.37570291 +1 -10.48740301 +1 0.1603 H( 2425 ALA 109) 9.20096858 +1 -16.73658648 +1 -10.54733362 +1 0.1697 H( 2426 ILE*110) 9.51103104 +1 -15.10011567 +1 -8.31237844 +1 0.3659 H( 2427 ILE*110) 12.40885514 +1 -14.91375719 +1 -8.20325670 +1 0.1886 H( 2428 ILE 110) 10.06523526 +1 -13.05095148 +1 -7.31686431 +1 0.1640 H( 2429 ILE 110) 12.04802002 +1 -12.86579209 +1 -9.67927915 +1 0.1337 H( 2430 ILE 110) 10.48318959 +1 -13.66931715 +1 -9.81191697 +1 0.1637 H( 2431 ILE 110) 13.11276291 +1 -12.49383515 +1 -7.38794377 +1 0.1526 H( 2432 ILE 110) 12.07016887 +1 -12.46187912 +1 -5.96448547 +1 0.1489 H( 2433 ILE 110) 11.86514635 +1 -11.24874466 +1 -7.22690026 +1 0.1535 H( 2434 ILE 110) 10.81830330 +1 -10.71033442 +1 -9.01517630 +1 0.1429 H( 2435 ILE 110) 10.38540542 +1 -11.30872918 +1 -10.62349290 +1 0.1406 H( 2436 ILE 110) 9.28757099 +1 -11.56243168 +1 -9.26907936 +1 0.1399 H( 2437 ILE*111) 9.78930876 +1 -14.94976512 +1 -5.62048342 +1 0.3622 H( 2438 ILE*111) 11.66915022 +1 -14.55716515 +1 -3.46529354 +1 0.1828 H( 2439 ILE 111) 8.92275145 +1 -16.03481050 +1 -3.62432559 +1 0.1452 H( 2440 ILE 111) 8.81662825 +1 -13.62070594 +1 -4.24042388 +1 0.1663 H( 2441 ILE 111) 7.99032835 +1 -13.94409591 +1 -2.73123194 +1 0.1553 H( 2442 ILE 111) 10.65589944 +1 -15.17620935 +1 -1.20764647 +1 0.1576 H( 2443 ILE 111) 10.09250509 +1 -16.80129086 +1 -1.59877800 +1 0.1510 H( 2444 ILE 111) 8.93641034 +1 -15.56431456 +1 -1.08015096 +1 0.1451 H( 2445 ILE 111) 10.81303241 +1 -12.72745478 +1 -2.96371446 +1 0.1315 H( 2446 ILE 111) 9.99182826 +1 -13.08776026 +1 -1.43043013 +1 0.1443 H( 2447 ILE 111) 9.31467393 +1 -11.88924135 +1 -2.52143509 +1 0.1452 H( 2448 HIS*112) 10.39945177 +1 -17.56834984 +1 -5.13129554 +1 0.3652 H( 2449 HIS*112) 11.62539969 +1 -19.34666795 +1 -3.22297572 +1 0.1816 H( 2450 HIS 112) 10.94990444 +1 -19.67667164 +1 -6.25161500 +1 0.1869 H( 2451 HIS 112) 9.82841072 +1 -19.97053382 +1 -4.91413669 +1 0.1810 H( 2452 HIS 112) 10.05361717 +1 -22.59479911 +1 -3.81611799 +1 0.1868 H( 2453 HIS 112) 13.65256408 +1 -23.64004712 +1 -5.74811881 +1 0.2383 H( 2454 HIS 112) 11.72384480 +1 -24.42294118 +1 -4.21233627 +1 0.3065 H( 2455 VAL*113) 12.90381739 +1 -17.96304705 +1 -6.39426458 +1 0.3654 H( 2456 VAL*113) 15.31067290 +1 -19.58199241 +1 -6.18333939 +1 0.2074 H( 2457 VAL 113) 14.54953121 +1 -17.00016723 +1 -7.75174510 +1 0.1477 H( 2458 VAL 113) 17.12506986 +1 -18.71090938 +1 -7.86770230 +1 0.1641 H( 2459 VAL 113) 16.66480403 +1 -17.48512196 +1 -9.07381297 +1 0.1435 H( 2460 VAL 113) 17.02207721 +1 -17.00074932 +1 -7.42443403 +1 0.1563 H( 2461 VAL 113) 14.81843473 +1 -20.00406567 +1 -8.47236414 +1 0.1701 H( 2462 VAL 113) 13.34901997 +1 -19.03708532 +1 -8.47926583 +1 0.1713 H( 2463 VAL 113) 14.60834373 +1 -18.70903922 +1 -9.67324473 +1 0.1341 H( 2464 LEU*114) 14.44891407 +1 -16.19432646 +1 -5.00570098 +1 0.3679 H( 2465 LEU*114) 17.20165269 +1 -15.59021158 +1 -4.34791552 +1 0.1765 H( 2466 LEU 114) 15.99950663 +1 -14.00877446 +1 -2.64302998 +1 0.1624 H( 2467 LEU 114) 14.46080161 +1 -14.65870647 +1 -3.19948391 +1 0.1671 H( 2468 LEU 114) 14.90596107 +1 -13.86925793 +1 -5.53557022 +1 0.1639 H( 2469 LEU 114) 15.33989835 +1 -11.66826699 +1 -3.40623602 +1 0.1416 H( 2470 LEU 114) 13.77515469 +1 -12.35638849 +1 -3.86146632 +1 0.1381 H( 2471 LEU 114) 14.71234811 +1 -11.44110446 +1 -5.04760732 +1 0.1456 H( 2472 LEU 114) 17.53076046 +1 -12.83126376 +1 -4.25972259 +1 0.1387 H( 2473 LEU 114) 17.36937445 +1 -13.99625185 +1 -5.59572014 +1 0.1457 H( 2474 LEU 114) 16.90709735 +1 -12.32055527 +1 -5.83076351 +1 0.1560 H( 2475 HIS*115) 14.52912035 +1 -17.33787001 +1 -2.56228441 +1 0.3640 H( 2476 HIS*115) 16.11005839 +1 -17.45204205 +1 -0.08515941 +1 0.2066 H( 2477 HIS 115) 13.72245008 +1 -19.09739853 +1 -1.24122893 +1 0.1723 H( 2478 HIS 115) 13.65024966 +1 -17.77446515 +1 -0.05629661 +1 0.1788 H( 2479 HIS 115) 14.01550658 +1 -21.66560863 +1 -0.03620107 +1 0.2199 H( 2480 HIS 115) 15.12437914 +1 -20.31613366 +1 3.80302516 +1 0.1866 H( 2481 HIS 115) 14.58226189 +1 -22.34720114 +1 2.26437693 +1 0.3089 H( 2482 SER*116) 15.73627833 +1 -19.60902122 +1 -3.02396795 +1 0.3624 H( 2483 SER*116) 17.21867550 +1 -21.79507977 +1 -1.85461872 +1 0.1974 H( 2484 SER 116) 16.67673275 +1 -20.88655819 +1 -4.79455630 +1 0.1414 H( 2485 SER 116) 15.81835354 +1 -22.15624032 +1 -3.84944855 +1 0.1659 H( 2486 SER 116) 18.32729711 +1 -22.39151212 +1 -5.06784086 +1 0.3439 H( 2487 ARG*117) 18.26479317 +1 -18.85462951 +1 -3.76735179 +1 0.3724 H( 2488 ARG*117) 21.03951731 +1 -19.95519077 +1 -3.73985733 +1 0.1972 H( 2489 ARG 117) 21.47015702 +1 -17.82490034 +1 -5.05832801 +1 0.1523 H( 2490 ARG 117) 19.76046385 +1 -17.36598648 +1 -4.90284683 +1 0.1629 H( 2491 ARG 117) 20.69820162 +1 -20.00730036 +1 -6.20718614 +1 0.1639 H( 2492 ARG 117) 19.02743216 +1 -19.43613415 +1 -6.09264028 +1 0.1910 H( 2493 ARG 117) 19.82568531 +1 -18.94688680 +1 -8.30435087 +1 0.1546 H( 2494 ARG 117) 19.57171198 +1 -17.39186688 +1 -7.46035321 +1 0.1670 H( 2495 ARG 117) 22.10583157 +1 -17.49314776 +1 -6.91999870 +1 0.3634 H( 2496 ARG 117) 21.96781248 +1 -18.45854922 +1 -10.87069704 +1 0.3574 H( 2497 ARG 117) 20.53973325 +1 -18.60745909 +1 -9.94568857 +1 0.3383 H( 2498 ARG 117) 23.94436624 +1 -17.14920166 +1 -8.23880412 +1 0.3581 H( 2499 HIS*118) 19.13161115 +1 -17.65838076 +1 -1.75088823 +1 0.3739 H( 2500 HIS*118) 21.78925241 +1 -16.95236680 +1 -0.45659509 +1 0.2076 H( 2501 HIS 118) 20.98442616 +1 -14.63707229 +1 -0.20977188 +1 0.2114 H( 2502 HIS 118) 19.39832547 +1 -15.02124481 +1 -0.90230556 +1 0.2025 H( 2503 HIS 118) 19.25640231 +1 -14.62920878 +1 -3.69226637 +1 0.2117 H( 2504 HIS 118) 23.44134254 +1 -14.62684770 +1 -4.48623227 +1 0.2673 H( 2505 HIS 118) 21.08222786 +1 -14.00518691 +1 -5.33458755 +1 0.3461 H( 2506 PRO*119) 18.14722173 +1 -18.27616610 +1 2.33656079 +1 0.2110 H( 2507 PRO 119) 19.17817267 +1 -20.61211553 +1 3.39610630 +1 0.1593 H( 2508 PRO 119) 18.36545348 +1 -20.59019162 +1 1.82751759 +1 0.1699 H( 2509 PRO 119) 21.42214158 +1 -20.32987520 +1 2.32855565 +1 0.1566 H( 2510 PRO 119) 20.61256227 +1 -21.54298263 +1 1.34694232 +1 0.1601 H( 2511 PRO 119) 21.49422120 +1 -19.30194128 +1 0.08261713 +1 0.1483 H( 2512 PRO 119) 19.83942293 +1 -19.90759153 +1 -0.31410440 +1 0.1750 H( 2513 GLY*120) 21.74088066 +1 -17.95762939 +1 2.73918218 +1 0.3597 H( 2514 GLY*120) 22.95330240 +1 -17.25766844 +1 4.53514800 +1 0.2013 H( 2515 GLY*120) 21.69424095 +1 -17.93223197 +1 5.62007913 +1 0.1942 H( 2516 ASP*121) 20.81421852 +1 -15.44473872 +1 3.18555496 +1 0.3438 H( 2517 ASP*121) 20.58729086 +1 -13.55683544 +1 5.55085309 +1 0.2211 H( 2518 ASP 121) 22.41329416 +1 -12.68013637 +1 4.29857772 +1 0.2098 H( 2519 ASP 121) 21.03639802 +1 -11.73764632 +1 3.73320808 +1 0.2078 H( 2520 ASP 121) 23.33981908 +1 -14.18376689 +1 2.79998853 +1 0.4200 H( 2521 PHE*122) 18.92068394 +1 -15.01610838 +1 2.70437545 +1 0.3715 H( 2522 PHE*122) 16.87687231 +1 -12.87396186 +1 2.79798840 +1 0.1628 H( 2523 PHE 122) 17.82269673 +1 -14.11927772 +1 0.68444277 +1 0.1795 H( 2524 PHE 122) 16.95267838 +1 -15.55068164 +1 1.23620068 +1 0.2056 H( 2525 PHE 122) 16.24130928 +1 -11.83545884 +1 0.80153018 +1 0.1526 H( 2526 PHE 122) 14.83964757 +1 -15.85959016 +1 0.28136001 +1 0.1828 H( 2527 PHE 122) 14.21133729 +1 -10.97807518 +1 -0.31213258 +1 0.1428 H( 2528 PHE 122) 12.85967883 +1 -15.01525222 +1 -0.93851305 +1 0.1638 H( 2529 PHE 122) 12.50865302 +1 -12.55968836 +1 -1.19355997 +1 0.1385 H( 2530 GLY*123) 16.53063687 +1 -13.47022836 +1 5.19954754 +1 0.3273 H( 2531 GLY*123) 15.48272995 +1 -14.78390780 +1 6.82413157 +1 0.1558 H( 2532 GLY*123) 14.97980687 +1 -15.95756120 +1 5.54505279 +1 0.2310 H( 2533 ALA*124) 13.24846658 +1 -15.05345378 +1 7.66546641 +1 0.3279 H( 2534 ALA*124) 10.91690461 +1 -14.60762952 +1 6.11069615 +1 0.1979 H( 2535 ALA 124) 11.44655934 +1 -14.11180764 +1 9.15452452 +1 0.1650 H( 2536 ALA 124) 10.90795278 +1 -15.63195097 +1 8.39680868 +1 0.1751 H( 2537 ALA 124) 9.86305149 +1 -14.21331087 +1 8.38325010 +1 0.1759 H( 2538 ASP*125) 12.91100718 +1 -12.19987931 +1 8.04230730 +1 0.3389 H( 2539 ASP*125) 11.15940466 +1 -10.03685434 +1 7.58696730 +1 0.2021 H( 2540 ASP 125) 14.28561065 +1 -10.08475180 +1 7.85912044 +1 0.1992 H( 2541 ASP 125) 13.30477249 +1 -8.63207975 +1 7.90283752 +1 0.2121 H( 2542 ASP 125) 14.57805266 +1 -8.79915649 +1 10.03872584 +1 0.4373 H( 2543 ALA*126) 13.93215009 +1 -11.23049192 +1 5.49246757 +1 0.3359 H( 2544 ALA*126) 13.67108485 +1 -8.92676978 +1 3.68329523 +1 0.1936 H( 2545 ALA 126) 15.84738806 +1 -10.17693846 +1 3.95895429 +1 0.1851 H( 2546 ALA 126) 15.09586977 +1 -11.68768091 +1 3.36951812 +1 0.1668 H( 2547 ALA 126) 15.27263416 +1 -10.28509839 +1 2.29924177 +1 0.1988 H( 2548 GLN*127) 12.44588101 +1 -12.40169144 +1 3.79961941 +1 0.3627 H( 2549 GLN*127) 11.39646448 +1 -12.28168232 +1 1.11453943 +1 0.1995 H( 2550 GLN 127) 10.46754947 +1 -13.84652180 +1 3.63658970 +1 0.1485 H( 2551 GLN 127) 9.94038212 +1 -14.15898079 +1 1.95726544 +1 0.1717 H( 2552 GLN 127) 12.94141384 +1 -14.31103404 +1 2.81554479 +1 0.2114 H( 2553 GLN 127) 12.25299527 +1 -14.79917189 +1 1.29074132 +1 0.1895 H( 2554 GLN 127) 10.34247732 +1 -17.31771712 +1 3.68340921 +1 0.3232 H( 2555 GLN 127) 9.77218837 +1 -15.80882960 +1 3.21073416 +1 0.3040 H( 2556 GLY*128) 10.10937534 +1 -11.27031464 +1 4.38444347 +1 0.3486 H( 2557 GLY*128) 8.14778249 +1 -10.15631849 +1 4.91861052 +1 0.1895 H( 2558 GLY*128) 7.39210122 +1 -10.85146933 +1 3.45561636 +1 0.2151 H( 2559 ALA*129) 10.40226099 +1 -8.77815881 +1 3.64759987 +1 0.3513 H( 2560 ALA*129) 8.98809237 +1 -6.35234069 +1 2.86296817 +1 0.1867 H( 2561 ALA 129) 12.00301340 +1 -7.15804676 +1 2.65412459 +1 0.1703 H( 2562 ALA 129) 11.24564004 +1 -6.37691163 +1 4.05099593 +1 0.1588 H( 2563 ALA 129) 11.36322925 +1 -5.52059053 +1 2.49841360 +1 0.1862 H( 2564 MET*130) 10.82095101 +1 -8.96870478 +1 1.03183954 +1 0.3627 H( 2565 MET*130) 10.63880077 +1 -7.50857870 +1 -1.47527750 +1 0.2019 H( 2566 MET 130) 12.21413171 +1 -9.47750158 +1 -0.95042995 +1 0.1689 H( 2567 MET 130) 10.83221169 +1 -10.56679730 +1 -0.86328067 +1 0.1625 H( 2568 MET 130) 11.85257434 +1 -10.80064362 +1 -3.07993577 +1 0.1598 H( 2569 MET 130) 10.24024978 +1 -10.07879594 +1 -3.28062968 +1 0.1795 H( 2570 MET 130) 14.19709209 +1 -7.85295219 +1 -4.03926327 +1 0.1807 H( 2571 MET 130) 14.08058961 +1 -9.57673683 +1 -3.67171304 +1 0.1655 H( 2572 MET 130) 13.86468586 +1 -8.37932473 +1 -2.38346518 +1 0.1612 H( 2573 ASN*131) 8.46837649 +1 -9.90477118 +1 0.28024389 +1 0.3633 H( 2574 ASN*131) 6.70245585 +1 -10.21450957 +1 -1.97222358 +1 0.2026 H( 2575 ASN 131) 6.50860717 +1 -10.57832749 +1 1.09170076 +1 0.1761 H( 2576 ASN 131) 5.00729845 +1 -10.57977945 +1 0.13078440 +1 0.2309 H( 2577 ASN 131) 6.97009555 +1 -12.79887068 +1 1.47162613 +1 0.3399 H( 2578 ASN 131) 6.76326723 +1 -14.04430370 +1 0.32746024 +1 0.3200 H( 2579 LYS*132) 6.86822921 +1 -7.70914525 +1 0.70541787 +1 0.3570 H( 2580 LYS*132) 4.35290085 +1 -6.48755111 +1 -0.04149026 +1 0.1916 H( 2581 LYS 132) 6.93627336 +1 -5.39217386 +1 1.32099036 +1 0.1614 H( 2582 LYS 132) 5.47080486 +1 -4.43400579 +1 1.10536702 +1 0.1784 H( 2583 LYS 132) 5.68317666 +1 -7.04637899 +1 2.74504304 +1 0.1537 H( 2584 LYS 132) 4.17112362 +1 -6.19439072 +1 2.45219111 +1 0.1495 H( 2585 LYS 132) 6.66712178 +1 -4.94640417 +1 3.77990497 +1 0.1293 H( 2586 LYS 132) 5.15771060 +1 -4.08858595 +1 3.48519259 +1 0.1644 H( 2587 LYS 132) 5.45537005 +1 -6.60255355 +1 5.27730310 +1 0.1069 H( 2588 LYS 132) 3.91529829 +1 -5.77093443 +1 4.95398093 +1 0.1459 H( 2589 LYS 132) 4.84733202 +1 -3.76979502 +1 6.00752478 +1 0.2716 H( 2590 LYS 132) 6.27107947 +1 -4.51500366 +1 6.24548384 +1 0.2527 H( 2591 ALA*133) 7.83587109 +1 -5.94393956 +1 -1.04794135 +1 0.3629 H( 2592 ALA*133) 7.25175147 +1 -3.59339330 +1 -2.61644087 +1 0.1862 H( 2593 ALA 133) 9.58004126 +1 -4.30354676 +1 -1.91471507 +1 0.1707 H( 2594 ALA 133) 9.47928236 +1 -5.76334109 +1 -2.91484613 +1 0.1755 H( 2595 ALA 133) 9.48419241 +1 -4.16203396 +1 -3.67885315 +1 0.1690 H( 2596 LEU*134) 7.21206286 +1 -7.17916891 +1 -3.45258597 +1 0.3647 H( 2597 LEU*134) 6.71226428 +1 -6.52825635 +1 -6.27308145 +1 0.1884 H( 2598 LEU 134) 6.30075202 +1 -9.13098893 +1 -4.60974221 +1 0.1585 H( 2599 LEU 134) 6.14487262 +1 -9.00331977 +1 -6.36251950 +1 0.1651 H( 2600 LEU 134) 8.71255668 +1 -8.38496015 +1 -4.72753425 +1 0.1536 H( 2601 LEU 134) 9.56083263 +1 -10.48368592 +1 -5.78463852 +1 0.1440 H( 2602 LEU 134) 8.11745831 +1 -10.82771545 +1 -4.83484344 +1 0.1488 H( 2603 LEU 134) 8.02249982 +1 -10.74984731 +1 -6.59682855 +1 0.1347 H( 2604 LEU 134) 9.76256914 +1 -8.34006405 +1 -7.07061962 +1 0.1437 H( 2605 LEU 134) 8.13859999 +1 -8.32712264 +1 -7.76850166 +1 0.1429 H( 2606 LEU 134) 8.69163111 +1 -6.98819372 +1 -6.75006735 +1 0.1428 H( 2607 GLU*135) 4.66096190 +1 -7.05073978 +1 -3.32973865 +1 0.3554 H( 2608 GLU*135) 2.21707012 +1 -7.42384579 +1 -4.83510492 +1 0.2115 H( 2609 GLU 135) 2.73119222 +1 -6.16052597 +1 -2.02285602 +1 0.1597 H( 2610 GLU 135) 2.58634148 +1 -7.89298387 +1 -2.33142922 +1 0.1934 H( 2611 GLU 135) 0.34183558 +1 -5.83900928 +1 -2.96386982 +1 0.1892 H( 2612 GLU 135) 0.24748557 +1 -7.59462402 +1 -3.22016537 +1 0.2070 H( 2613 GLU 135) -1.03084494 +1 -6.56306207 +1 0.19974722 +1 0.3796 H( 2614 LEU*136) 4.03560129 +1 -4.52158840 +1 -3.51080677 +1 0.3582 H( 2615 LEU*136) 2.03616934 +1 -2.58089581 +1 -4.25193689 +1 0.1851 H( 2616 LEU 136) 5.14332644 +1 -2.46909670 +1 -4.03203482 +1 0.1692 H( 2617 LEU 136) 4.00176684 +1 -2.16751996 +1 -2.72080172 +1 0.1471 H( 2618 LEU 136) 4.32473022 +1 -0.44054052 +1 -5.26228027 +1 0.1392 H( 2619 LEU 136) 2.80857823 +1 1.15571734 +1 -4.04693701 +1 0.1617 H( 2620 LEU 136) 2.57951587 +1 -0.00511881 +1 -2.74149672 +1 0.1355 H( 2621 LEU 136) 1.98996936 +1 -0.36037252 +1 -4.37865230 +1 0.1598 H( 2622 LEU 136) 6.26520808 +1 -0.26035269 +1 -3.73979955 +1 0.1532 H( 2623 LEU 136) 5.22193938 +1 -0.05793980 +1 -2.32324925 +1 0.1317 H( 2624 LEU 136) 5.28190587 +1 1.20237145 +1 -3.56645779 +1 0.1542 H( 2625 PHE*137) 4.87526287 +1 -4.05503715 +1 -5.98120925 +1 0.3491 H( 2626 PHE*137) 4.71940979 +1 -2.46204377 +1 -8.34527294 +1 0.1849 H( 2627 PHE 137) 6.63730420 +1 -3.89764929 +1 -7.96685777 +1 0.1742 H( 2628 PHE 137) 5.65198113 +1 -5.32070472 +1 -7.60770557 +1 0.1719 H( 2629 PHE 137) 6.29672258 +1 -2.91867341 +1 -10.45918485 +1 0.1527 H( 2630 PHE 137) 5.30730187 +1 -6.91660385 +1 -9.26162510 +1 0.1549 H( 2631 PHE 137) 6.49227696 +1 -3.66920676 +1 -12.81148876 +1 0.1532 H( 2632 PHE 137) 5.51117953 +1 -7.67478160 +1 -11.60323457 +1 0.1489 H( 2633 PHE 137) 6.09611542 +1 -6.05205570 +1 -13.39224739 +1 0.1618 H( 2634 ARG*138) 3.03830915 +1 -5.65671763 +1 -7.52170266 +1 0.3609 H( 2635 ARG*138) 1.79878139 +1 -5.76730244 +1 -10.13807356 +1 0.1879 H( 2636 ARG 138) 0.96669967 +1 -6.99962061 +1 -7.39813564 +1 0.1592 H( 2637 ARG 138) 0.26575740 +1 -7.41725303 +1 -8.96583784 +1 0.1705 H( 2638 ARG 138) 3.16547571 +1 -7.89794167 +1 -8.01147316 +1 0.1763 H( 2639 ARG 138) 2.71649373 +1 -8.04800102 +1 -9.71125531 +1 0.1444 H( 2640 ARG 138) 2.59714323 +1 -10.26383088 +1 -8.62488535 +1 0.1406 H( 2641 ARG 138) 0.96532618 +1 -9.76677908 +1 -9.14002561 +1 0.1500 H( 2642 ARG 138) 0.24974915 +1 -9.47895863 +1 -6.97307580 +1 0.3652 H( 2643 ARG 138) 3.80797140 +1 -10.41665178 +1 -5.26837709 +1 0.3359 H( 2644 ARG 138) 3.77811038 +1 -10.29046173 +1 -6.96372233 +1 0.3129 H( 2645 ARG 138) 1.91855700 +1 -10.41150644 +1 -4.03376104 +1 0.3124 H( 2646 LYS*139) 0.78735240 +1 -4.25181671 +1 -6.97937155 +1 0.3567 H( 2647 LYS*139) -1.95356224 +1 -3.81479180 +1 -7.82500942 +1 0.1904 H( 2648 LYS 139) -0.05019393 +1 -2.41455811 +1 -5.79183430 +1 0.1640 H( 2649 LYS 139) -1.20522385 +1 -3.70586504 +1 -5.44336624 +1 0.1689 H( 2650 LYS 139) -1.97890440 +1 -0.87829200 +1 -6.44837173 +1 0.1595 H( 2651 LYS 139) -3.12238640 +1 -2.15834890 +1 -6.03455168 +1 0.1399 H( 2652 LYS 139) -1.06266055 +1 -0.90448828 +1 -4.10461442 +1 0.1385 H( 2653 LYS 139) -2.17517697 +1 -2.20384649 +1 -3.66728890 +1 0.1309 H( 2654 LYS 139) -3.10672162 +1 -0.03361767 +1 -2.92612325 +1 0.1286 H( 2655 LYS 139) -4.15424257 +1 -0.68273842 +1 -4.21250407 +1 0.1333 H( 2656 LYS 139) -1.99576182 +1 1.25089731 +1 -4.86195320 +1 0.2622 H( 2657 LYS 139) -3.41762905 +1 0.97866464 +1 -5.65277393 +1 0.2855 H( 2658 ASP*140) 1.10189016 +1 -1.75971562 +1 -7.96874601 +1 0.3684 H( 2659 ASP*140) -0.43165166 +1 0.46762168 +1 -9.08656736 +1 0.2147 H( 2660 ASP 140) 2.61438983 +1 -0.19956429 +1 -8.89266197 +1 0.1905 H( 2661 ASP 140) 1.98310048 +1 1.29474168 +1 -9.62608397 +1 0.2097 H( 2662 ASP 140) 2.57359677 +1 2.27743430 +1 -6.18749326 +1 0.4589 H( 2663 ILE*141) 1.44020559 +1 -2.33894322 +1 -10.59332148 +1 0.3672 H( 2664 ILE*141) 1.29207608 +1 -0.95423384 +1 -13.18080045 +1 0.1896 H( 2665 ILE 141) 2.95674317 +1 -2.84187771 +1 -12.44207226 +1 0.1545 H( 2666 ILE 141) 2.53172506 +1 -1.89628719 +1 -14.79417981 +1 0.1399 H( 2667 ILE 141) 1.35759487 +1 -3.18280515 +1 -15.07471812 +1 0.1650 H( 2668 ILE 141) 2.22569152 +1 -5.15906636 +1 -12.75925165 +1 0.1507 H( 2669 ILE 141) 0.60578935 +1 -4.67973105 +1 -13.26709550 +1 0.1628 H( 2670 ILE 141) 1.12536336 +1 -4.42750023 +1 -11.59305346 +1 0.1601 H( 2671 ILE 141) 4.34631123 +1 -3.65994192 +1 -14.44168098 +1 0.1319 H( 2672 ILE 141) 3.17018638 +1 -4.90875433 +1 -14.85315019 +1 0.1491 H( 2673 ILE 141) 3.61390545 +1 -3.69806917 +1 -16.05409217 +1 0.1525 H( 2674 ALA*142) -0.89603355 +1 -3.12784161 +1 -11.24503425 +1 0.3595 H( 2675 ALA*142) -2.60698556 +1 -3.81407240 +1 -13.44724688 +1 0.1822 H( 2676 ALA 142) -2.74285568 +1 -4.85833002 +1 -11.12816878 +1 0.1724 H( 2677 ALA 142) -4.30523451 +1 -4.14934305 +1 -11.58546493 +1 0.1804 H( 2678 ALA 142) -3.24984629 +1 -3.31989253 +1 -10.42814795 +1 0.1692 H( 2679 ALA*143) -2.32994704 +1 -0.89113420 +1 -11.29266519 +1 0.3471 H( 2680 ALA*143) -4.73896711 +1 0.36436426 +1 -12.22567525 +1 0.2005 H( 2681 ALA 143) -2.03947437 +1 1.57765701 +1 -11.20821779 +1 0.1646 H( 2682 ALA 143) -3.44390367 +1 1.16235808 +1 -10.20793018 +1 0.1691 H( 2683 ALA 143) -3.55473662 +1 2.47098677 +1 -11.39194506 +1 0.1858 H( 2684 LYS*144) -1.30142440 +1 0.35933518 +1 -13.47245848 +1 0.3485 H( 2685 LYS*144) -1.84406671 +1 2.31050973 +1 -15.56304005 +1 0.1981 H( 2686 LYS 144) 0.23678682 +1 1.19872078 +1 -16.60396802 +1 0.1723 H( 2687 LYS 144) 0.24895034 +1 0.01486831 +1 -15.27726549 +1 0.1565 H( 2688 LYS 144) 1.84845752 +1 1.78479735 +1 -14.76090510 +1 0.1342 H( 2689 LYS 144) 0.51522209 +1 1.93831574 +1 -13.61342202 +1 0.1481 H( 2690 LYS 144) 0.71366130 +1 3.57409047 +1 -16.24065507 +1 0.1682 H( 2691 LYS 144) -0.51966179 +1 3.76473438 +1 -15.00667112 +1 0.1486 H( 2692 LYS 144) 2.49733559 +1 4.18072168 +1 -14.52744491 +1 0.1222 H( 2693 LYS 144) 1.22862014 +1 4.37900471 +1 -13.29794317 +1 0.1344 H( 2694 LYS 144) 0.74432387 +1 6.41159805 +1 -14.17490441 +1 0.2472 H( 2695 LYS 144) 2.05362747 +1 6.29204811 +1 -15.15298953 +1 0.2625 H( 2696 TYR*145) -2.16309698 +1 -1.30985194 +1 -15.31414450 +1 0.3606 H( 2697 TYR*145) -2.62829165 +1 -1.84942500 +1 -18.08507746 +1 0.1829 H( 2698 TYR 145) -3.70410815 +1 -3.03519977 +1 -15.39937846 +1 0.1975 H( 2699 TYR 145) -4.30731423 +1 -3.61694852 +1 -16.93905615 +1 0.1994 H( 2700 TYR 145) -0.77621061 +1 -2.74609714 +1 -17.25781975 +1 0.1613 H( 2701 TYR 145) -3.46210379 +1 -5.76325458 +1 -15.81016388 +1 0.1427 H( 2702 TYR 145) 1.03390803 +1 -4.41307933 +1 -17.35075923 +1 0.1563 H( 2703 TYR 145) -1.62258028 +1 -7.44186544 +1 -15.91309365 +1 0.1708 H( 2704 TYR 145) 1.70856358 +1 -6.59778139 +1 -16.84670333 +1 0.3551 H( 2705 LYS*146) -4.90307988 +1 -0.97728558 +1 -15.34724970 +1 0.3598 H( 2706 LYS*146) -7.24551498 +1 -1.08933790 +1 -16.97164914 +1 0.1912 H( 2707 LYS 146) -6.58276012 +1 0.50599949 +1 -14.37935465 +1 0.1646 H( 2708 LYS 146) -8.19759049 +1 0.34110558 +1 -15.06262379 +1 0.1715 H( 2709 LYS 146) -6.40425140 +1 -2.02510766 +1 -14.16115920 +1 0.1654 H( 2710 LYS 146) -8.00576483 +1 -2.19629369 +1 -14.87806298 +1 0.1433 H( 2711 LYS 146) -7.39996751 +1 -0.63628159 +1 -12.28176916 +1 0.1576 H( 2712 LYS 146) -9.00801205 +1 -0.84801354 +1 -12.99234458 +1 0.1479 H( 2713 LYS 146) -7.15437300 +1 -3.13929655 +1 -12.03268523 +1 0.1362 H( 2714 LYS 146) -8.74740120 +1 -3.37246739 +1 -12.81231771 +1 0.1465 H( 2715 LYS 146) -9.41274696 +1 -3.27704746 +1 -10.65353280 +1 0.2526 H( 2716 LYS 146) -9.30225256 +1 -1.65713520 +1 -10.77124673 +1 0.2585 H( 2717 GLU*147) -4.91175446 +1 1.65752105 +1 -16.39101254 +1 0.3582 H( 2718 GLU*147) -6.64464186 +1 3.65928590 +1 -17.49097319 +1 0.2016 H( 2719 GLU 147) -3.53707811 +1 3.32685310 +1 -17.54601159 +1 0.1798 H( 2720 GLU 147) -4.37922445 +1 4.77649709 +1 -18.08868709 +1 0.1880 H( 2721 GLU 147) -4.58183679 +1 3.60028571 +1 -15.20939595 +1 0.2010 H( 2722 GLU 147) -5.44030167 +1 5.03013192 +1 -15.76778213 +1 0.1922 H( 2723 GLU 147) -1.53941013 +1 5.83918260 +1 -16.11480270 +1 0.3897 H( 2724 LEU*148) -4.71832865 +1 1.02408055 +1 -19.01198049 +1 0.3624 H( 2725 LEU*148) -5.18102705 +1 2.22209913 +1 -21.70760358 +1 0.1970 H( 2726 LEU 148) -3.82806067 +1 -0.39059819 +1 -20.70002692 +1 0.1634 H( 2727 LEU 148) -3.91838304 +1 0.10049429 +1 -22.38467434 +1 0.1807 H( 2728 LEU 148) -2.53691445 +1 1.74989953 +1 -20.14914942 +1 0.1389 H( 2729 LEU 148) -0.41967162 +1 0.91805962 +1 -21.18962153 +1 0.1461 H( 2730 LEU 148) -1.38598278 +1 -0.43471525 +1 -20.59272972 +1 0.1382 H( 2731 LEU 148) -1.32977204 +1 -0.08447491 +1 -22.32396881 +1 0.1415 H( 2732 LEU 148) -1.50602440 +1 2.87596555 +1 -22.27102701 +1 0.1463 H( 2733 LEU 148) -2.75642217 +1 2.07355636 +1 -23.21500857 +1 0.1500 H( 2734 LEU 148) -3.20702340 +1 3.23952945 +1 -21.96305155 +1 0.1633 H( 2735 GLY*149) -7.25800898 +1 0.74492683 +1 -19.61192271 +1 0.3607 H( 2736 GLY*149) -8.80628563 +1 -0.33262274 +1 -21.88513958 +1 0.2009 H( 2737 GLY*149) -9.34965576 +1 -0.08584381 +1 -20.18967448 +1 0.1863 H( 2738 TYR*150) -6.56837423 +1 -1.78614647 +1 -19.63274750 +1 0.3726 H( 2739 TYR*150) -7.84032193 +1 -4.44828710 +1 -20.29541606 +1 0.1837 H( 2740 TYR 150) -4.91835875 +1 -3.51799181 +1 -19.83420672 +1 0.1895 H( 2741 TYR 150) -5.61930378 +1 -4.06940607 +1 -21.35408604 +1 0.1998 H( 2742 TYR 150) -7.02018058 +1 -6.56660717 +1 -20.79303540 +1 0.1767 H( 2743 TYR 150) -3.37452852 +1 -5.09950382 +1 -19.02719647 +1 0.1743 H( 2744 TYR 150) -6.31107392 +1 -8.88135714 +1 -20.32081090 +1 0.1741 H( 2745 TYR 150) -2.65852854 +1 -7.40469054 +1 -18.57548486 +1 0.1865 H( 2746 TYR 150) -3.08326085 +1 -9.67298862 +1 -19.06761342 +1 0.3705 H( 2747 GLN*151) -8.71265672 +1 -5.47308516 +1 -18.47981066 +1 0.3684 H( 2748 GLN*151) -8.12903707 +1 -4.32252866 +1 -15.84012026 +1 0.2119 H( 2749 GLN 151) -9.68343253 +1 -6.19928251 +1 -15.10880922 +1 0.1672 H( 2750 GLN 151) -9.74297327 +1 -6.83778854 +1 -16.76044606 +1 0.1632 H( 2751 GLN 151) -10.84371703 +1 -4.81923899 +1 -17.61170541 +1 0.1943 H( 2752 GLN 151) -11.72537348 +1 -5.41573400 +1 -16.20319814 +1 0.1703 H( 2753 GLN 151) -10.51167354 +1 -1.60836165 +1 -16.17537458 +1 0.3248 H( 2754 GLN 151) -10.63646856 +1 -2.56655645 +1 -17.57741977 +1 0.3558 H( 2755 GLY*152) -6.54366095 +1 -6.83075792 +1 -17.71356438 +1 0.3406 H( 2756 GLY*152) -4.68931435 +1 -8.10331499 +1 -17.06222655 +1 0.1987 H( 2757 GLY*152) -4.74975599 +1 -7.29178292 +1 -15.45099564 +1 0.2085 H( 2758 GLY 152) -7.52059666 +1 -10.23336899 +1 -15.50286678 +1 0.4142 H( 2759 PO4 153) 6.96943183 +1 5.89496452 +1 -2.47123257 +1 0.3678 H( 2760 PO4 153) 5.67261459 +1 8.94752500 +1 -1.40055541 +1 0.3874 H( 2761 PO4 153) 7.77520502 +1 8.79719114 +1 -3.59215190 +1 0.3906 H( 2762 PO4 154) 14.77478046 +1 -27.30213062 +1 -5.37261974 +1 0.3219 H( 2763 PO4 154) 14.95323909 +1 -23.97385331 +1 -7.17321731 +1 0.4216 H( 2764 PO4 154) 16.71511732 +1 -25.29361270 +1 -4.04591430 +1 0.4210 H( 2765 PO4 155) 25.85919077 +1 -17.21330896 +1 -0.51475479 +1 0.3707 H( 2766 HIS 118) 23.14426559 +1 -15.07983386 +1 -1.87449758 +1 0.4425 H( 2767 PO4 155) 26.92671962 +1 -13.80059996 +1 -0.44453793 +1 0.3575 H( 2768 PO4 156) 26.75267601 +1 -8.33825247 +1 3.88752099 +1 0.3221 H( 2769 LYS 17) 25.53374543 +1 -11.08611311 +1 1.29926209 +1 0.3634 H( 2770 PO4 156) 28.19427876 +1 -10.75800573 +1 4.39548179 +1 0.3011 H( 2771 PO4 157) 16.26102853 +1 -9.22887457 +1 -29.91879655 +1 0.3955 H( 2772 PO4 157) 13.53198986 +1 -8.09573548 +1 -32.51099657 +1 0.3601 H( 2773 PO4 157) 16.15030960 +1 -6.36458102 +1 -31.60074231 +1 0.3718 H( 2774 PO4 158) 14.06527121 +1 -33.23611371 +1 -15.40239288 +1 0.3612 H( 2775 PO4 158) 12.31108318 +1 -33.02019054 +1 -18.51239630 +1 0.3970 H( 2776 PO4 158) 13.25559013 +1 -30.38467459 +1 -16.07590132 +1 0.3492 H( 2777 C ) 7.58887604 +1 -7.27795264 +1 -16.48249514 +1 0.1893 H( 2778 C ) 9.62327670 +1 -8.82494346 +1 -15.04805688 +1 0.1551 H( 2779 C ) 10.37090375 +1 -7.32932026 +1 -13.88807747 +1 0.1264 H( 2780 C ) 9.11593094 +1 -6.16319341 +1 -14.00066153 +1 0.1487 H( 2781 C ) 11.50887009 +1 -6.28063288 +1 -15.38205589 +1 0.1577 H( 2782 C ) 10.27508538 +1 -5.06973400 +1 -15.41240246 +1 0.1481 H( 2783 C ) 11.20459402 +1 -6.56514174 +1 -17.49913271 +1 0.1210 H( 2784 C ) 9.91421245 +1 -5.41291608 +1 -17.46681734 +1 0.1458 H( 2785 C ) 10.13422357 +1 -8.33002360 +1 -17.44062227 +1 0.1858 H( 2786 C ) 10.07718638 +1 -7.76651917 +1 -19.32544014 +1 0.1004 H( 2787 C ) 8.93210062 +1 -6.42242486 +1 -19.23741128 +1 0.1219 H( 2788 C ) 9.00451700 +1 -9.07672332 +1 -20.90263846 +1 0.1304 H( 2789 C ) 9.63628580 +1 -7.33934029 +1 -21.54040521 +1 0.1452 H( 2790 C ) 8.23139261 +1 -6.37387695 +1 -21.37253029 +1 0.1836 H( 2791 C ) 9.23574552 +1 -7.56268160 +1 -23.66135057 +1 0.1455 H( 2792 C ) 7.89262074 +1 -6.51008238 +1 -23.46805796 +1 0.1656 H( 2793 C ) 7.92222902 +1 -9.11415520 +1 -24.38143053 +1 0.1332 H( 2794 C ) 6.57123079 +1 -8.04793819 +1 -24.18417438 +1 0.1661 H( 2795 C ) 6.92612507 +1 -10.49447127 +1 -23.03103825 +1 0.1595 H( 2796 C ) 5.66787041 +1 -9.37133906 +1 -22.78520914 +1 0.1823 H( 2797 C ) 8.06163050 +1 -10.18476013 +1 -21.45819508 +1 0.1714 H( 2798 C ) 6.88257188 +1 -12.01592192 +1 -21.21802231 +1 0.1648 H( 2799 C ) 5.32249126 +1 -11.34324785 +1 -21.50638838 +1 0.1991 H( 2800 C ) 4.36450058 +1 -11.75846514 +1 -19.68909042 +1 0.2800 H( 2801 C ) 5.88003291 +1 -14.06292348 +1 -20.82501946 +1 0.1919 H( 2802 C ) 4.33410421 +1 -13.41903407 +1 -21.03823009 +1 0.1780 H( 2803 C ) 5.08937373 +1 -15.55746491 +1 -19.51582697 +1 0.1750 H( 2804 C ) 3.52686477 +1 -14.89144843 +1 -19.67871759 +1 0.1644 H( 2805 C ) 5.09467568 +1 -15.16325712 +1 -17.40906564 +1 0.1660 H( 2806 C ) 3.48846698 +1 -14.58367888 +1 -17.52422356 +1 0.1551 H( 2807 C ) 3.82508677 +1 -12.49055625 +1 -17.53162779 +1 0.2650 H( 2808 C ) 5.80956690 +1 -13.31335632 +1 -15.42743449 +1 0.1560 H( 2809 C ) 4.06182648 +1 -13.43684584 +1 -15.44497101 +1 0.1634 H( 2810 C ) 4.87302520 +1 -11.85581026 +1 -15.64443309 +1 0.1812 H( 2811 C ) 8.59774760 +1 -8.83094271 +1 -13.13096162 +1 0.1206 H( 2812 C ) 7.57240634 +1 -9.55236072 +1 -14.40030019 +1 0.1601 H( 2813 C ) 7.11721879 +1 -8.03268148 +1 -13.64977597 +1 0.1470 H( 2814 HOH 159) -5.23872710 +1 -11.21096149 +1 -13.98510547 +1 0.3791 H( 2815 HOH 159) -5.52518042 +1 -11.91443855 +1 -12.63109272 +1 0.3541 H( 2816 HOH 160) 18.53483878 +1 -14.46009425 +1 -18.40641370 +1 0.3697 H( 2817 HOH 160) 19.12683659 +1 -15.06254332 +1 -17.09277525 +1 0.3653 H( 2818 HOH 161) 25.42507464 +1 -9.65630643 +1 -12.19344569 +1 0.3763 H( 2819 HOH 161) 26.13713459 +1 -10.60938235 +1 -13.17675924 +1 0.3631 H( 2820 O ) 8.99869365 +1 -11.17744025 +1 -17.73800475 +1 0.3662 H( 2821 HOH 162) 10.31351057 +1 0.16561777 +1 -6.64159951 +1 0.3709 H( 2822 HOH 162) 8.78982886 +1 0.25983880 +1 -6.83220578 +1 0.3935 H( 2823 HOH 163) 18.86197091 +1 -19.59179806 +1 -21.78304233 +1 0.3754 H( 2824 HOH 163) 18.23908939 +1 -20.63679348 +1 -20.86561358 +1 0.3770 H( 2825 HOH 164) -7.68066193 +1 -12.66314261 +1 -15.62677951 +1 0.3699 H( 2826 HOH 164) -9.08880358 +1 -12.03564723 +1 -15.73041491 +1 0.3692 H( 2827 HOH 165) 27.03761532 +1 -14.64928670 +1 -15.06359264 +1 0.3325 H( 2828 HOH 165) 25.80094064 +1 -14.30309573 +1 -14.25515372 +1 0.3692 H( 2829 HOH 166) 14.38358522 +1 -18.61646732 +1 -32.25559101 +1 0.3505 H( 2830 HOH 166) 13.40320686 +1 -18.39204154 +1 -31.09865114 +1 0.3724 H( 2831 HOH 167) 9.98102878 +1 -14.11181458 +1 -27.22513751 +1 0.3972 H( 2832 HOH 167) 8.54937820 +1 -13.94952980 +1 -27.75996917 +1 0.3476 H( 2833 HOH 168) 12.86236441 +1 -0.18989754 +1 -15.43518930 +1 0.3783 H( 2834 HOH 168) 12.47440096 +1 -1.31790114 +1 -14.42139770 +1 0.3726 H( 2835 HOH 169) 13.86627689 +1 -12.20545149 +1 -25.10002249 +1 0.3924 H( 2836 HOH 169) 14.40573103 +1 -13.65086148 +1 -24.96770278 +1 0.3700 H( 2837 HIS 37) 0.35194578 +1 -22.15717350 +1 -12.60058917 +1 0.4010 H( 2838 HOH 170) -0.98325279 +1 -23.44046423 +1 -13.72554285 +1 0.3922 H( 2839 HOH 171) 15.58625975 +1 -23.12382314 +1 -11.91025120 +1 0.3832 H( 2840 HOH 171) 14.58339114 +1 -21.93809789 +1 -11.73435563 +1 0.3763 H( 2841 HOH 172) 16.78619263 +1 2.51026629 +1 -11.01450850 +1 0.3754 H( 2842 HOH 172) 15.38457929 +1 2.32271780 +1 -10.33985343 +1 0.3862 H( 2843 HOH 173) -1.89578819 +1 -15.50925726 +1 -9.11952093 +1 0.3601 H( 2844 HOH 173) -1.17001714 +1 -16.79360568 +1 -8.73854366 +1 0.3518 H( 2845 HOH 174) 24.50479883 +1 -12.96289672 +1 -6.46548606 +1 0.3856 H( 2846 HOH 174) 25.49162681 +1 -14.15580863 +1 -6.68995034 +1 0.3940 H( 2847 HOH 175) -3.90268563 +1 -14.08594501 +1 -9.01410405 +1 0.3521 H( 2848 HOH 175) -4.84625874 +1 -15.04796157 +1 -9.69687466 +1 0.3477 H( 2849 HOH 176) 13.76450636 +1 -21.08548292 +1 -2.63872269 +1 0.3731 H( 2850 HOH 176) 12.66896874 +1 -22.05889223 +1 -2.22841833 +1 0.3377 H( 2851 HOH 177) 15.39161928 +1 -13.52022901 +1 -28.15112000 +1 0.3710 H( 2852 HOH 177) 14.66839107 +1 -12.73176191 +1 -27.04001557 +1 0.3797 H( 2853 HOH 178) 25.00332371 +1 -16.71347177 +1 -14.06761623 +1 0.3773 H( 2854 HOH 178) 24.65596435 +1 -17.51993783 +1 -15.34105098 +1 0.3514 H( 2855 HOH 179) 6.03461580 +1 -18.69707344 +1 -9.91128231 +1 0.3768 H( 2856 HOH 179) 6.56085228 +1 -19.93059828 +1 -10.68954351 +1 0.3456 H( 2857 HOH 180) 3.61791341 +1 -19.66172304 +1 -7.83817275 +1 0.3825 H( 2858 HOH 180) 4.70405994 +1 -20.31530690 +1 -8.72374807 +1 0.3797 H( 2859 HOH 181) 10.72624420 +1 -12.29911605 +1 -25.89972321 +1 0.3861 H( 2860 HOH 181) 12.06514853 +1 -13.06333354 +1 -26.03274684 +1 0.3775 H( 2861 HOH 182) 18.34522174 +1 2.84495372 +1 -4.48633875 +1 0.3696 H( 2862 HOH 182) 16.83119648 +1 3.18967309 +1 -4.56679400 +1 0.3825 H( 2863 HOH 183) 18.24054874 +1 -3.59542779 +1 5.98692432 +1 0.3866 H( 2864 HOH 183) 16.84655587 +1 -2.90202192 +1 6.01291393 +1 0.3714 H( 2865 HOH 184) 19.60713504 +1 -9.12625755 +1 -22.20073211 +1 0.3692 H( 2866 HOH 184) 18.20951787 +1 -9.70898831 +1 -21.97763744 +1 0.3445 H( 2867 HOH 185) 4.50840491 +1 -9.70038144 +1 -3.05043752 +1 0.3685 H( 2868 HOH 185) 4.94983492 +1 -11.17363844 +1 -3.13994339 +1 0.3528 H( 2869 HOH 186) 9.52357625 +1 -3.56484058 +1 -21.05554533 +1 0.3698 H( 2870 HOH 186) 8.96930887 +1 -2.23219312 +1 -20.49821341 +1 0.3523 H( 2871 HOH 187) 6.33758455 +1 10.61269366 +1 -3.62670645 +1 0.3387 H( 2872 HOH 187) 4.86381490 +1 10.93985212 +1 -3.81627984 +1 0.3541 H( 2873 HOH 188) 3.72298626 +1 -23.89106045 +1 -21.56395278 +1 0.3912 H( 2874 HOH 188) 4.55155843 +1 -25.12466928 +1 -21.99402605 +1 0.3655 H( 2875 HOH 189) 3.76645032 +1 -25.24850937 +1 -9.52015362 +1 0.3417 H( 2876 HOH 189) 2.98050072 +1 -25.13558030 +1 -10.85010370 +1 0.3564 H( 2877 HOH 190) 25.39216358 +1 -5.90475902 +1 -12.69556739 +1 0.3384 H( 2878 HOH 190) 24.84746838 +1 -6.96835442 +1 -11.74720953 +1 0.3630 H( 2879 HOH 191) 13.49332741 +1 -24.26479502 +1 -11.47732577 +1 0.3858 H( 2880 HOH 191) 12.04731997 +1 -24.45083427 +1 -11.96543747 +1 0.3525 H( 2881 HOH 192) 18.44551389 +1 -20.82426597 +1 -8.70328888 +1 0.3556 H( 2882 HOH 192) 18.44725408 +1 -21.69761610 +1 -7.44123392 +1 0.3792 H( 2883 HOH 193) 15.25966707 +1 -4.09022091 +1 -19.40756473 +1 0.3363 H( 2884 HOH 193) 14.69282440 +1 -4.84308336 +1 -18.21020046 +1 0.3520 H( 2885 HOH 194) 13.68875478 +1 2.64742177 +1 8.98164419 +1 0.3534 H( 2886 HOH 194) 12.78831399 +1 1.43404094 +1 9.23177191 +1 0.3546 H( 2887 HOH 195) -5.47942656 +1 2.43627080 +1 -13.55300117 +1 0.3619 H( 2888 HOH 195) -6.49211595 +1 2.40720191 +1 -12.39674610 +1 0.3650 H( 2889 HOH 196) 24.21533043 +1 -15.87006574 +1 -6.35799190 +1 0.3825 H( 2890 HOH 196) 23.99580576 +1 -17.22628083 +1 -5.61868445 +1 0.4063 H( 2891 HOH 197) 7.65884692 +1 2.65497232 +1 1.28043056 +1 0.3608 H( 2892 HOH 197) 7.53498316 +1 1.58366460 +1 0.16779335 +1 0.3335 H( 2893 HOH 198) 11.63483821 +1 -4.73893026 +1 -20.46971363 +1 0.3482 H( 2894 HOH 198) 10.37315155 +1 -5.41282359 +1 -19.92441459 +1 0.3345 H( 2895 HOH 199) -0.11710337 +1 2.77048858 +1 -19.12819395 +1 0.3652 H( 2896 HOH 199) -1.37971051 +1 2.40525559 +1 -18.30916008 +1 0.3540 H( 2897 HOH 200) 16.70997308 +1 -9.01911874 +1 9.52033890 +1 0.3588 H( 2898 HOH 200) 16.40123575 +1 -7.53464175 +1 9.30241496 +1 0.3983 H( 2899 HOH 201) -3.51395489 +1 -1.51036394 +1 -8.71770919 +1 0.3835 H( 2900 HOH 201) -4.68158851 +1 -2.21844424 +1 -8.01486427 +1 0.3455 H( 2901 HOH 202) 19.73124312 +1 -4.73149995 +1 -10.94481857 +1 0.3663 H( 2902 HOH 202) 19.37814300 +1 -5.58184834 +1 -12.19552230 +1 0.3738 H( 2903 HOH 203) -4.96481031 +1 -10.84273196 +1 -19.78632910 +1 0.3742 H( 2904 HOH 203) -4.88959124 +1 -12.27147687 +1 -20.33231016 +1 0.3602 H( 2905 HOH 204) -2.11384079 +1 -8.81286325 +1 -7.29933417 +1 0.3960 H( 2906 HOH 204) -2.02811949 +1 -10.38488095 +1 -7.36804837 +1 0.3677 H( 2907 HOH 205) 8.33129072 +1 -1.73202482 +1 -5.85252244 +1 0.3592 H( 2908 HOH 205) 7.27650546 +1 -2.81219514 +1 -5.42182563 +1 0.3647 H( 2909 HOH 206) 18.98848355 +1 -10.13349448 +1 5.33887570 +1 0.3523 H( 2910 HOH 206) 17.71319226 +1 -10.87081513 +1 4.96807186 +1 0.3560 H( 2911 HOH 207) 10.75763843 +1 -0.57342081 +1 -16.34550074 +1 0.3716 H( 2912 HOH 207) 9.43937772 +1 0.12544924 +1 -16.76198465 +1 0.3769 H( 2913 HOH 208) 19.05143300 +1 -9.17649906 +1 2.19666130 +1 0.3740 H( 2914 HOH 208) 18.11475814 +1 -9.29108595 +1 3.41216062 +1 0.3392 H( 2915 HOH 209) 22.39580842 +1 -12.80358767 +1 -21.43577345 +1 0.3679 H( 2916 HOH 209) 22.04489613 +1 -13.01431063 +1 -22.91352432 +1 0.3745 H( 2917 HOH 210) 20.06120315 +1 -0.30436951 +1 -12.12438850 +1 0.3444 H( 2918 HOH 210) 18.87537255 +1 -1.24421154 +1 -12.04538960 +1 0.3953 H( 2919 HOH 211) 18.70650017 +1 -3.38666785 +1 -12.55832239 +1 0.3504 H( 2920 HOH 211) 17.77518008 +1 -2.70215214 +1 -13.55177924 +1 0.3854 H( 2921 HOH 212) 21.52053836 +1 -9.90939134 +1 -23.23171736 +1 0.3389 H( 2922 HOH 212) 21.39452397 +1 -10.98887582 +1 -22.16331230 +1 0.3759 H( 2923 HOH 213) -10.65016137 +1 -6.52274932 +1 -19.71849561 +1 0.3667 H( 2924 HOH 213) -9.67898758 +1 -7.49779808 +1 -18.98105804 +1 0.3815 H( 2925 HOH 214) 21.14678799 +1 -3.15677635 +1 -5.36923144 +1 0.3713 H( 2926 HOH 214) 20.34545141 +1 -3.66293300 +1 -4.13719779 +1 0.3757 H( 2927 HOH 215) 2.22965901 +1 -25.22130835 +1 -22.65439186 +1 0.3748 H( 2928 HOH 215) 1.40169757 +1 -25.79714852 +1 -23.80529847 +1 0.3485 H( 2929 HOH 216) 24.57761571 +1 -18.02712066 +1 -17.62800183 +1 0.3464 H( 2930 HOH 216) 23.12241166 +1 -18.19710221 +1 -17.17827284 +1 0.3736 H( 2931 HOH 217) 6.35613644 +1 8.49675392 +1 0.70219790 +1 0.3461 H( 2932 HOH 217) 4.86453912 +1 8.23034325 +1 0.61358827 +1 0.3278 H( 2933 HOH 218) 5.46872330 +1 -23.64935808 +1 -24.89922584 +1 0.3861 H( 2934 HOH 218) 4.39440776 +1 -23.80260472 +1 -23.78303441 +1 0.3741 H( 2935 HOH 219) 14.49205115 +1 0.09819901 +1 -16.96414276 +1 0.3464 H( 2936 HOH 219) 13.32686178 +1 1.10721062 +1 -17.02799489 +1 0.3830 H( 2937 HOH 220) 7.01146277 +1 -16.34359963 +1 0.48907200 +1 0.3799 H( 2938 HOH 220) 5.49955225 +1 -16.05586757 +1 0.57707550 +1 0.3545 H( 2939 HOH 221) 7.10712431 +1 7.85825428 +1 -8.56555759 +1 0.3675 H( 2940 HOH 221) 5.83529993 +1 7.18753976 +1 -8.00002695 +1 0.3736 H( 2941 HOH 222) 15.43821055 +1 5.07859616 +1 -12.86034477 +1 0.3552 H( 2942 HOH 222) 15.26185864 +1 3.77448209 +1 -12.07284220 +1 0.3888 H( 2943 HOH 223) 18.70835921 +1 4.34569846 +1 -1.43385375 +1 0.3418 H( 2944 HOH 223) 17.88806122 +1 3.41857603 +1 -2.32542432 +1 0.3870 H( 2945 HOH 224) 12.81882958 +1 -6.57393198 +1 10.82109810 +1 0.3495 H( 2946 HOH 224) 12.04466146 +1 -6.42891696 +1 9.49957555 +1 0.3761 H( 2947 HOH 225) -4.57833052 +1 -4.72331203 +1 -27.93177356 +1 0.3453 H( 2948 HOH 225) -4.94024876 +1 -5.38840088 +1 -26.61029332 +1 0.3642 H( 2949 HOH 226) -4.10521206 +1 5.32494637 +1 -21.14800384 +1 0.3497 H( 2950 HOH 226) -5.45667026 +1 4.62156101 +1 -21.15073973 +1 0.3548 H( 2951 HOH 227) 23.30702231 +1 -7.26793182 +1 -0.81612910 +1 0.3886 H( 2952 HOH 227) 24.24476005 +1 -6.30044980 +1 -0.08609464 +1 0.3562 H( 2953 HOH 228) -0.30571493 +1 3.09570513 +1 -10.27346809 +1 0.3567 H( 2954 HOH 228) 0.13448338 +1 2.03599252 +1 -11.29194567 +1 0.3747 H( 2955 HOH 229) 23.66750461 +1 -16.92620605 +1 1.48768852 +1 0.3708 H( 2956 HOH 229) 23.66132382 +1 -18.36427415 +1 1.00815828 +1 0.3649 H( 2957 HOH 230) 22.28904225 +1 -27.35191621 +1 -21.71172323 +1 0.3769 H( 2958 HOH 230) 21.10313770 +1 -26.54069993 +1 -21.16591984 +1 0.3922 H( 2959 HOH 231) 20.08553847 +1 -4.06858634 +1 4.31819396 +1 0.3568 H( 2960 HOH 231) 19.93511633 +1 -5.44736905 +1 4.98299144 +1 0.3841 H( 2961 HOH 232) 13.78541556 +1 6.68729506 +1 -4.97253882 +1 0.3665 H( 2962 HOH 232) 12.32750509 +1 6.23081712 +1 -4.95416007 +1 0.3515 H( 2963 HOH 233) 21.06467311 +1 -9.49383429 +1 1.11290124 +1 0.3896 H( 2964 HOH 233) 20.59195662 +1 -10.99736387 +1 1.28045111 +1 0.3695 H( 2965 HOH 234) 9.37021874 +1 6.73832753 +1 -0.08090578 +1 0.3515 H( 2966 HOH 234) 7.95628793 +1 6.27973683 +1 -0.31579442 +1 0.3485 H( 2967 HOH 235) -0.36906129 +1 -3.77956209 +1 -29.77155548 +1 0.3259 H( 2968 HOH 235) -1.83296537 +1 -3.80175500 +1 -29.36705671 +1 0.3508 H( 2969 HOH 236) 18.94883725 +1 2.47706731 +1 -11.25904852 +1 0.3602 H( 2970 HOH 236) 18.56491496 +1 1.03911500 +1 -11.67600669 +1 0.3881 H( 2971 HOH 237) -8.42244551 +1 -8.67912317 +1 -17.23099840 +1 0.3438 H( 2972 HOH 237) -8.83862187 +1 -9.69586458 +1 -18.29770620 +1 0.3794 H( 2973 HOH 238) -2.63730803 +1 -22.05937763 +1 -12.45190997 +1 0.3834 H( 2974 HOH 238) -4.01096734 +1 -22.58641084 +1 -11.99388306 +1 0.3525 H( 2975 HOH 239) 2.26782288 +1 2.33751121 +1 -19.98152804 +1 0.3656 H( 2976 HOH 239) 1.44131149 +1 2.56363232 +1 -21.25984711 +1 0.3661 H( 2977 HOH 240) 17.82084518 +1 -24.50522436 +1 -25.21046993 +1 0.3655 H( 2978 HOH 240) 17.06272624 +1 -24.80635784 +1 -26.51089597 +1 0.3357 H( 2979 HOH 241) 0.03927985 +1 -18.96964726 +1 -21.59768378 +1 0.3773 H( 2980 HOH 241) -1.36334698 +1 -18.84524092 +1 -22.21442747 +1 0.3618 H( 2981 HOH 242) 5.90543290 +1 -16.36732189 +1 -1.61468811 +1 0.3797 H( 2982 HOH 242) 6.42291704 +1 -16.88084825 +1 -2.97481128 +1 0.3530 H( 2983 HOH 243) 11.54772098 +1 2.53798741 +1 -17.86528491 +1 0.3425 H( 2984 HOH 243) 11.31583651 +1 1.02225647 +1 -17.87993951 +1 0.3777 H( 2985 HOH 244) -3.70990533 +1 -13.48072447 +1 -5.00588263 +1 0.3540 H( 2986 HOH 244) -4.93089038 +1 -13.35732473 +1 -5.93557070 +1 0.3621 H( 2987 HOH 245) 21.02483550 +1 -6.69465351 +1 -13.61514020 +1 0.3516 H( 2988 HOH 245) 19.61954318 +1 -6.90732322 +1 -14.21713552 +1 0.3544 H( 2989 HOH 246) 8.58721430 +1 5.93982949 +1 -17.83434760 +1 0.3518 H( 2990 HOH 246) 7.81119771 +1 7.21009705 +1 -18.08975011 +1 0.3381 H( 2991 HOH 247) 13.43568824 +1 -25.56209656 +1 -8.45438818 +1 0.3655 H( 2992 HOH 247) 12.69444758 +1 -25.17521855 +1 -9.75468838 +1 0.3701 H( 2993 HOH 248) 2.69964574 +1 -16.95751797 +1 -28.88904078 +1 0.3536 H( 2994 HOH 248) 2.46268454 +1 -17.13884816 +1 -27.39935969 +1 0.3575 H( 2995 HOH 249) 10.23504982 +1 -9.90332255 +1 9.88926170 +1 0.3595 H( 2996 HOH 249) 9.10308240 +1 -9.52251311 +1 10.83552835 +1 0.3432 H( 2997 HOH 250) -1.44796220 +1 1.48945901 +1 -27.52926885 +1 0.3547 H( 2998 HOH 250) -0.89853553 +1 0.12874246 +1 -27.96419601 +1 0.3476 H( 2999 HOH 251) 14.38648681 +1 -23.43816077 +1 -2.32593918 +1 0.3673 H( 3000 HOH 251) 15.12774873 +1 -24.58327107 +1 -3.04704625 +1 0.3622 H( 3001 HOH 252) 14.12009208 +1 -3.86651477 +1 7.63368503 +1 0.3501 H( 3002 HOH 252) 13.61576904 +1 -4.61307776 +1 8.88988545 +1 0.3742 H( 3003 HOH 253) 20.46717438 +1 -22.81276687 +1 -6.20200530 +1 0.3780 H( 3004 HOH 253) 19.19277912 +1 -23.68802112 +1 -6.44032344 +1 0.3819 H( 3005 HOH 254) -2.90217067 +1 -17.62830597 +1 -9.46038873 +1 0.3560 H( 3006 HOH 254) -3.43282583 +1 -19.07828953 +1 -9.28017792 +1 0.3542 H( 3007 HOH 255) 25.29602576 +1 -15.16442999 +1 3.51312567 +1 0.3493 H( 3008 HOH 255) 24.96447748 +1 -14.13393979 +1 4.59805667 +1 0.3673 H( 3009 HOH 256) 17.45657216 +1 -32.58423564 +1 -22.99471994 +1 0.3629 H( 3010 HOH 256) 16.56581889 +1 -32.23043420 +1 -24.20837976 +1 0.3996 H( 3011 HOH 257) 9.67566105 +1 -11.26332674 +1 -24.08805643 +1 0.3449 H( 3012 HOH 257) 8.74025719 +1 -11.24992176 +1 -25.32146745 +1 0.3687 H( 3013 HOH 258) -4.55120276 +1 3.80327923 +1 -24.88858956 +1 0.3375 H( 3014 HOH 258) -4.94166758 +1 2.49988904 +1 -25.57546559 +1 0.3609 H( 3015 HOH 259) 19.03907530 +1 -25.81753910 +1 -26.72878390 +1 0.3590 H( 3016 HOH 259) 19.79608287 +1 -27.03873741 +1 -26.21387522 +1 0.3477 H( 3017 HOH 260) 28.22965451 +1 -11.01280333 +1 -4.14523432 +1 0.3446 H( 3018 HOH 260) 27.07872787 +1 -10.90946751 +1 -3.14750054 +1 0.3446 H( 3019 HOH 261) 6.12619111 +1 -11.87694865 +1 -24.72705004 +1 0.3471 H( 3020 HOH 261) 5.01534323 +1 -12.89813646 +1 -24.47918686 +1 0.3695 H( 3021 HOH 262) 0.58745795 +1 3.42947269 +1 -2.40954838 +1 0.3665 H( 3022 HOH 262) 1.68394086 +1 2.58612294 +1 -1.71422000 +1 0.3413 H( 3023 HOH 263) 5.40870539 +1 -13.62498756 +1 -3.21013593 +1 0.3525 H( 3024 HOH 263) 5.01384895 +1 -15.08676219 +1 -3.27965034 +1 0.3461 H( 3025 HOH 264) 6.69804656 +1 -25.47292239 +1 -18.31582711 +1 0.3487 H( 3026 HOH 264) 7.30266513 +1 -26.75239619 +1 -18.89218546 +1 0.3637 H( 3027 HOH 265) 1.22867974 +1 -20.48038674 +1 -27.69559013 +1 0.3655 H( 3028 HOH 265) 1.86749642 +1 -19.16832457 +1 -27.18736074 +1 0.3497 H( 3029 HOH 266) 17.49642314 +1 -21.87942187 +1 0.24867113 +1 0.3690 H( 3030 HOH 266) 17.62525192 +1 -23.01998036 +1 1.28887743 +1 0.3726 H( 3031 HOH 267) 8.90219723 +1 -13.04792615 +1 5.64908581 +1 0.3683 H( 3032 HOH 267) 7.56266831 +1 -13.08362635 +1 6.37279258 +1 0.3430 H( 3033 HOH 268) 20.52951063 +1 2.49190920 +1 -4.49134387 +1 0.3469 H( 3034 HOH 268) 20.01767690 +1 1.13971455 +1 -4.96735278 +1 0.3901 H( 3035 HOH 269) 0.27063077 +1 -17.43306343 +1 -7.02389245 +1 0.3445 H( 3036 HOH 269) -0.53682077 +1 -18.64998329 +1 -7.48576162 +1 0.3571 H( 3037 HOH 270) 9.82850353 +1 -20.01036923 +1 -30.91159674 +1 0.3542 H( 3038 HOH 270) 9.34224721 +1 -20.92629205 +1 -32.02258437 +1 0.3607 H( 3039 HOH 271) 17.86928454 +1 4.30343519 +1 -8.49465405 +1 0.3488 H( 3040 HOH 271) 16.69933568 +1 4.09728782 +1 -9.46290181 +1 0.3599 H( 3041 HOH 272) 14.07468315 +1 -9.75679392 +1 -24.03759236 +1 0.3569 H( 3042 HOH 272) 12.83799454 +1 -10.58753137 +1 -23.65326815 +1 0.3761 H( 3043 HOH 273) 26.72042457 +1 -16.18768675 +1 -7.50874362 +1 0.3685 H( 3044 HOH 273) 27.00308266 +1 -15.04052344 +1 -8.46004132 +1 0.3564 H( 3045 HOH 274) 23.71144552 +1 -21.92520135 +1 -18.60557473 +1 0.3447 H( 3046 HOH 274) 23.02450102 +1 -21.56673933 +1 -19.91738802 +1 0.3674 H( 3047 HOH 275) 5.63245153 +1 -29.21491749 +1 -15.46179894 +1 0.3417 H( 3048 HOH 275) 6.32230530 +1 -27.93976110 +1 -14.97989685 +1 0.3805 H( 3049 HOH 276) 17.71571722 +1 -31.00389794 +1 -17.59509485 +1 0.3831 H( 3050 HOH 276) 16.35911465 +1 -31.71652395 +1 -17.96275339 +1 0.3903 H( 3051 HOH 277) 7.19360940 +1 -13.29137326 +1 4.03744856 +1 0.3724 H( 3052 HOH 277) 5.77921255 +1 -13.67170392 +1 3.58304430 +1 0.3471 H( 3053 HOH 278) 24.51679622 +1 -12.70384980 +1 -21.22805577 +1 0.3593 H( 3054 HOH 278) 24.23466616 +1 -13.71889881 +1 -20.11649262 +1 0.3540 H( 3055 HOH 279) 6.84023691 +1 -3.10013448 +1 -24.76625814 +1 0.3631 H( 3056 HOH 279) 7.80835153 +1 -3.19613919 +1 -25.92575167 +1 0.3195 H( 3057 HOH 280) 7.36469816 +1 -25.48387615 +1 -25.03948914 +1 0.3545 H( 3058 HOH 280) 7.93432808 +1 -26.41047302 +1 -23.96199027 +1 0.3538 H( 3059 HOH 281) 23.96804320 +1 -19.07855184 +1 -12.56332924 +1 0.3724 H( 3060 HOH 281) 23.02338787 +1 -20.17773552 +1 -13.07552429 +1 0.3583 H( 3061 HOH 282) -5.69401193 +1 -1.12560046 +1 -9.57102860 +1 0.3818 H( 3062 HOH 282) -7.09582514 +1 -1.60906238 +1 -10.09915522 +1 0.3920 H( 3063 HOH 283) 18.27586916 +1 2.21225500 +1 -13.75441488 +1 0.3649 H( 3064 HOH 283) 17.20458507 +1 2.54096158 +1 -14.79589780 +1 0.3481 H( 3065 HOH 284) 21.31855926 +1 -0.54648617 +1 -5.33722468 +1 0.3522 H( 3066 HOH 284) 20.30043886 +1 -1.24951638 +1 -4.47243986 +1 0.3812 H( 3067 HOH 285) 10.15732173 +1 -7.95722374 +1 6.01265435 +1 0.3826 H( 3068 HOH 285) 8.73367224 +1 -7.79396697 +1 6.59588963 +1 0.3863 H( 3069 HOH 286) -2.85604598 +1 -5.95064673 +1 -28.31756800 +1 0.3637 H( 3070 HOH 286) -3.90310015 +1 -6.68579431 +1 -29.16166100 +1 0.3403 H( 3071 HOH 287) -4.07446665 +1 -2.86306515 +1 -23.71323441 +1 0.3430 H( 3072 HOH 287) -5.18475113 +1 -2.84205466 +1 -24.72272382 +1 0.3293 H( 3073 HOH 288) 4.32104623 +1 9.72507149 +1 -5.77758348 +1 0.3296 H( 3074 HOH 288) 3.95774126 +1 9.08359152 +1 -4.44631712 +1 0.3635 H( 3075 HOH 289) 12.72210280 +1 -2.33451726 +1 9.10646224 +1 0.3784 H( 3076 HOH 289) 11.62651532 +1 -2.14842922 +1 10.15318327 +1 0.3526 H( 3077 HOH 290) 21.49820764 +1 -21.38263719 +1 -1.81304676 +1 0.3630 H( 3078 HOH 290) 22.43385262 +1 -22.49432804 +1 -1.37202164 +1 0.3447 H( 3079 HOH 291) 12.38617670 +1 5.97124585 +1 1.87700535 +1 0.3458 H( 3080 HOH 291) 13.25927107 +1 4.73336114 +1 1.97070251 +1 0.3642 H( 3081 HOH 292) 12.24968961 +1 -25.83836937 +1 -29.93830281 +1 0.3330 H( 3082 HOH 292) 12.91357436 +1 -26.61050871 +1 -28.80754973 +1 0.3586 H( 3083 HOH 293) -2.59748404 +1 -20.31659140 +1 -15.47963592 +1 0.3814 H( 3084 HOH 293) -3.65065093 +1 -19.83184310 +1 -16.45745401 +1 0.3569 H( 3085 HOH 294) 4.10370956 +1 -17.66183001 +1 -2.40148408 +1 0.3547 H( 3086 HOH 294) 3.47784615 +1 -18.98483864 +1 -1.96147615 +1 0.3288 H( 3087 HOH 295) 0.70095227 +1 3.22786201 +1 -24.17136165 +1 0.3695 H( 3088 HOH 295) -0.73750231 +1 3.56956114 +1 -24.58388878 +1 0.3275 H( 3089 HOH 296) -11.08157862 +1 -4.41079051 +1 -13.32578824 +1 0.3783 H( 3090 HOH 296) -10.06771318 +1 -5.46409030 +1 -12.97432477 +1 0.3228 H( 3091 HOH 297) 24.48963320 +1 -25.22771343 +1 -20.90903477 +1 0.3257 H( 3092 HOH 297) 22.97980933 +1 -25.45919985 +1 -20.96952393 +1 0.3609 H( 3093 HOH 298) 20.19759940 +1 -5.93631609 +1 -19.86006565 +1 0.3316 H( 3094 HOH 298) 19.91492035 +1 -5.61392372 +1 -18.40535507 +1 0.3407 H( 3095 HOH 299) -1.80691649 +1 3.25790547 +1 -7.21315935 +1 0.3578 H( 3096 HOH 299) -1.01365194 +1 2.02861352 +1 -7.58872757 +1 0.3632 H( 3097 HOH 300) 17.84505562 +1 -30.30414350 +1 -26.82794306 +1 0.3603 H( 3098 HOH 300) 17.57283115 +1 -29.68465541 +1 -28.20292553 +1 0.3612 H( 3099 HOH 301) -10.66903381 +1 -2.85877127 +1 -19.69371266 +1 0.3810 H( 3100 HOH 301) -12.09296969 +1 -2.69575180 +1 -19.13720043 +1 0.3457 H( 3101 HOH 302) 23.86676468 +1 -13.48681355 +1 -23.95607591 +1 0.3732 H( 3102 HOH 302) 22.86801557 +1 -14.35906822 +1 -24.74786721 +1 0.3686 H( 3103 HOH 303) -6.60320531 +1 2.07040945 +1 -10.17233974 +1 0.3465 H( 3104 HOH 303) -6.81770666 +1 0.64240132 +1 -10.66441058 +1 0.3919 H( 3105 HOH 304) 5.78939490 +1 -9.07464125 +1 3.03397049 +1 0.3528 H( 3106 HOH 304) 4.47578092 +1 -9.69112915 +1 2.55981135 +1 0.3352 H( 3107 HOH 305) 19.94653579 +1 3.59278140 +1 4.65096675 +1 0.3568 H( 3108 HOH 305) 18.85995259 +1 2.90626466 +1 5.51159633 +1 0.3694 H( 3109 HOH 306) 1.33802133 +1 -10.18203913 +1 -1.68396352 +1 0.3496 H( 3110 HOH 306) 1.40545413 +1 -11.69839520 +1 -1.48950576 +1 0.3399 H( 3111 HOH 307) -2.21699386 +1 -21.04372409 +1 -8.90142924 +1 0.3239 H( 3112 HOH 307) -3.25706718 +1 -21.18103235 +1 -10.01846296 +1 0.3615 H( 3113 HOH 308) 18.35212138 +1 -7.51059862 +1 -34.97986765 +1 0.3510 H( 3114 HOH 308) 17.34290193 +1 -7.28703076 +1 -33.89167148 +1 0.3486 H( 3115 HOH 309) 23.53046863 +1 -2.45927283 +1 -6.19816615 +1 0.3502 H( 3116 HOH 309) 22.41636143 +1 -2.12887147 +1 -7.19311517 +1 0.3717 H( 3117 HOH 310) 6.61068923 +1 -1.78306675 +1 6.53381778 +1 0.3349 H( 3118 HOH 310) 5.49179913 +1 -0.97259323 +1 5.91267543 +1 0.3538 H( 3119 HOH 311) -7.43171309 +1 -11.26015185 +1 -19.14302937 +1 0.3647 H( 3120 HOH 311) -8.14850980 +1 -11.59988493 +1 -17.82796836 +1 0.3523 H( 3121 HOH 312) 21.17420543 +1 -7.64818678 +1 4.31437122 +1 0.3524 H( 3122 HOH 312) 19.68524124 +1 -7.75082394 +1 4.00531542 +1 0.3720 H( 3123 HOH 313) 22.09864037 +1 -21.97109607 +1 -9.71848789 +1 0.3349 H( 3124 HOH 313) 20.65014558 +1 -21.50915363 +1 -9.75214328 +1 0.3409 H( 3125 HOH 314) 6.88295575 +1 -10.37138224 +1 -26.13036364 +1 0.3664 H( 3126 HOH 314) 6.87871154 +1 -11.84688735 +1 -26.59217062 +1 0.3679 H( 3127 HOH 315) 16.69648264 +1 -11.46429174 +1 -32.74919134 +1 0.3346 H( 3128 HOH 315) 17.32958039 +1 -10.07359636 +1 -32.74823467 +1 0.3744 H( 3129 HOH 316) 21.99698746 +1 -20.38739277 +1 -23.51110772 +1 0.3438 H( 3130 HOH 316) 21.47504147 +1 -20.79368418 +1 -22.12738853 +1 0.3568 H( 3131 HOH 317) 5.99694053 +1 -24.35839291 +1 -8.69303235 +1 0.3375 H( 3132 HOH 317) 6.24924437 +1 -24.44591576 +1 -7.20673741 +1 0.3496 H( 3133 HOH 318) 10.28251123 +1 -6.80333717 +1 7.95823076 +1 0.3758 H( 3134 HOH 318) 10.00252070 +1 -7.08352748 +1 9.41648744 +1 0.3600 H( 3135 HOH 319) 18.08314967 +1 -6.46756966 +1 8.61323585 +1 0.3626 H( 3136 HOH 319) 17.04664592 +1 -5.54216253 +1 9.25793221 +1 0.3603 H( 3137 HOH 320) 3.52966929 +1 -23.53468399 +1 -25.92887686 +1 0.3916 H( 3138 HOH 320) 3.54160621 +1 -23.93360561 +1 -27.41416104 +1 0.3535 H( 3139 HOH 321) 3.10177707 +1 0.11680672 +1 -28.12678569 +1 0.3378 H( 3140 HOH 321) 4.11322339 +1 -0.67866569 +1 -27.30055658 +1 0.3409 H( 3141 HOH 322) 9.17734419 +1 6.90119709 +1 -10.33232124 +1 0.3648 H( 3142 HOH 322) 9.92570376 +1 6.51195112 +1 -11.59000523 +1 0.3538 H( 3143 HOH 323) -9.93764399 +1 -4.12823294 +1 -21.92795935 +1 0.3704 H( 3144 HOH 323) -9.81720276 +1 -4.43848114 +1 -23.40544458 +1 0.3374 H( 3145 HOH 324) -1.29329136 +1 -25.02933070 +1 -15.71693901 +1 0.3378 H( 3146 HOH 324) -0.30086674 +1 -23.84639238 +1 -15.80068228 +1 0.3932 H( 3147 HOH 325) 5.18206785 +1 -14.14655786 +1 -27.17862634 +1 0.3884 H( 3148 HOH 325) 4.69454112 +1 -13.90339965 +1 -28.61142298 +1 0.3625 H( 3149 HOH 326) 16.29571191 +1 -22.12984536 +1 -8.00250382 +1 0.3750 H( 3150 HOH 326) 15.32279474 +1 -22.53000101 +1 -9.13159684 +1 0.3531 H( 3151 HOH 327) -1.52601103 +1 4.74104456 +1 -21.23090240 +1 0.3409 H( 3152 HOH 327) -1.80555177 +1 4.44912166 +1 -19.75911942 +1 0.3610 H( 3153 HOH 328) -3.40405077 +1 1.69507642 +1 -7.70403096 +1 0.3551 H( 3154 HOH 328) -4.37170307 +1 0.49969644 +1 -7.76075886 +1 0.3481 H( 3155 HOH 329) 1.67639095 +1 -22.65871751 +1 -27.25381859 +1 0.3742 H( 3156 HOH 329) 0.16776008 +1 -22.34588682 +1 -27.10496892 +1 0.3468 H( 3157 HOH 330) -0.67757342 +1 -9.56387433 +1 -4.25089120 +1 0.3760 H( 3158 HOH 330) -1.81594862 +1 -9.45906030 +1 -5.23449094 +1 0.3506 H( 3159 HOH 331) 2.24143661 +1 -1.53940326 +1 4.60680139 +1 0.3462 H( 3160 HOH 331) 1.15425705 +1 -2.34743705 +1 3.89373971 +1 0.3402 H( 3161 HOH 332) 19.32364438 +1 -23.42827452 +1 -2.30646693 +1 0.3671 H( 3162 HOH 332) 18.82172574 +1 -24.01384633 +1 -1.00017680 +1 0.3629 H( 3163 HOH 333) 22.91043944 +1 -26.80006163 +1 -18.10679483 +1 0.3505 H( 3164 HOH 333) 22.14630505 +1 -27.33460911 +1 -19.31106422 +1 0.3784 H( 3165 HOH 334) 9.23258092 +1 -21.89250113 +1 -29.97215588 +1 0.3694 H( 3166 HOH 334) 10.73539942 +1 -22.18852288 +1 -29.86766283 +1 0.3669 H( 3167 HOH 335) 18.13625270 +1 2.00718888 +1 7.73226159 +1 0.3397 H( 3168 HOH 335) 18.24332357 +1 0.73391301 +1 6.89882832 +1 0.3851 H( 3169 HOH 336) 20.97383463 +1 -28.20930838 +1 -24.28166696 +1 0.3516 H( 3170 HOH 336) 19.68034120 +1 -28.83959316 +1 -24.83149109 +1 0.3639 H( 3171 HOH 337) 6.49749561 +1 -8.66081294 +1 7.43651617 +1 0.3496 H( 3172 HOH 337) 6.11169041 +1 -7.89424411 +1 6.16674387 +1 0.3652 H( 3173 HOH 338) -7.55968377 +1 3.21141393 +1 -14.41297113 +1 0.3630 H( 3174 HOH 338) -8.72592399 +1 4.17846264 +1 -14.49997830 +1 0.3260 H( 3175 HOH 339) 24.13154650 +1 -19.80819126 +1 -1.41590075 +1 0.3541 H( 3176 HOH 339) 23.77650401 +1 -18.34129316 +1 -1.49772856 +1 0.3566 H( 3177 HOH 340) 4.61680984 +1 4.98859625 +1 -3.56465743 +1 0.3823 H( 3178 HOH 340) 4.53593650 +1 3.62663627 +1 -2.81239418 +1 0.3791 H( 3179 HOH 341) 27.45541294 +1 -17.86108203 +1 -9.49801658 +1 0.3536 H( 3180 HOH 341) 26.16051740 +1 -17.13561824 +1 -9.89107474 +1 0.3688 H( 3181 HOH 342) 4.00676159 +1 2.95110383 +1 -0.51325088 +1 0.3618 H( 3182 HOH 342) 4.22319158 +1 1.77284304 +1 -1.43020678 +1 0.3581 H( 3183 HOH 343) 3.09158622 +1 -8.17810609 +1 -23.76184529 +1 0.3612 H( 3184 HOH 343) 4.00514419 +1 -9.10543093 +1 -22.99453489 +1 0.3093 H( 3185 HOH 344) 23.08326323 +1 -21.26291404 +1 -5.34399160 +1 0.3349 H( 3186 HOH 344) 22.56873320 +1 -21.96042496 +1 -4.09332955 +1 0.3502 H( 3187 HOH 345) 26.85467373 +1 -9.42311337 +1 -4.70026595 +1 0.3564 H( 3188 HOH 345) 25.84929390 +1 -8.48853863 +1 -5.40460343 +1 0.3521 H( 3189 HOH 346) 14.77838848 +1 -32.44551922 +1 -26.32410331 +1 0.3590 H( 3190 HOH 346) 14.64643588 +1 -33.59692183 +1 -25.30444266 +1 0.3749 H( 3191 HOH 347) 8.56382259 +1 -28.77894387 +1 -18.00231744 +1 0.3726 H( 3192 HOH 347) 7.30932629 +1 -28.62884872 +1 -17.09705213 +1 0.3704 H( 3193 HOH 348) 8.14728781 +1 4.17314638 +1 -1.83763699 +1 0.3776 H( 3194 HOH 348) 6.89328889 +1 3.80783750 +1 -0.97421765 +1 0.3767 H( 3195 HOH 349) 19.69907550 +1 -0.98662644 +1 7.12388611 +1 0.3528 H( 3196 HOH 349) 18.29836354 +1 -1.59761563 +1 6.99683975 +1 0.3947 H( 3197 HOH 350) -5.73339531 +1 0.14180285 +1 -25.14524903 +1 0.3510 H( 3198 HOH 350) -6.48547610 +1 1.12690511 +1 -24.31415476 +1 0.3531 H( 3199 HOH 351) 18.76416400 +1 -10.00682716 +1 -36.07203133 +1 0.3528 H( 3200 HOH 351) 18.45555504 +1 -9.88212199 +1 -34.57823891 +1 0.3659 H( 3201 HOH 352) 19.49054041 +1 -31.01756238 +1 -25.39312580 +1 0.3509 H( 3202 HOH 352) 18.26601064 +1 -30.78235781 +1 -24.50067111 +1 0.3781 H( 3203 HOH 353) 20.79716732 +1 -1.61997298 +1 1.98547369 +1 0.3705 H( 3204 HOH 353) 20.18972325 +1 -2.97934128 +1 1.68844912 +1 0.3531 H( 3205 HOH 354) 21.98600976 +1 -16.34208517 +1 7.64041876 +1 0.3626 H( 3206 HOH 354) 21.18261639 +1 -17.17505864 +1 8.61037271 +1 0.3177 H( 3207 HOH 355) 17.84424887 +1 -23.63001848 +1 -12.69384551 +1 0.3573 H( 3208 HOH 355) 16.93072937 +1 -24.78488103 +1 -13.09600669 +1 0.3933 H( 3209 HOH 356) 17.02539766 +1 -24.09818828 +1 3.72403658 +1 0.3413 H( 3210 HOH 356) 16.77339636 +1 -24.64426337 +1 2.30393174 +1 0.3647 H( 3211 HOH 357) -12.53772493 +1 -5.57831229 +1 -21.82444180 +1 0.3498 H( 3212 HOH 357) -13.35203596 +1 -6.73017540 +1 -22.38747487 +1 0.3252 H( 3213 HOH 358) -9.51567564 +1 0.12726579 +1 -17.63836672 +1 0.3668 H( 3214 HOH 358) -10.94162084 +1 0.54276601 +1 -17.32870850 +1 0.3430 H( 3215 HOH 359) 27.06169767 +1 -8.14370841 +1 -0.43793802 +1 0.3620 H( 3216 HOH 359) 25.64482100 +1 -8.04922126 +1 -0.98241716 +1 0.3808 H( 3217 HOH 360) 14.26535008 +1 -27.19798168 +1 -11.63439917 +1 0.3369 H( 3218 HOH 360) 13.26807750 +1 -26.30329368 +1 -12.30112860 +1 0.3646 H( 3219 HOH 361) -2.80860941 +1 -18.73476505 +1 -18.88463050 +1 0.3537 H( 3220 HOH 361) -4.20374421 +1 -18.64812451 +1 -18.26913281 +1 0.3434 H( 3221 O ) 22.07014954 +1 -20.38999278 +1 -16.05324508 +1 0.3086 H( 3222 HOH 362) -7.62579259 +1 4.71331638 +1 -19.56935190 +1 0.3593 H( 3223 HOH 362) -8.53315244 +1 4.23659293 +1 -18.46005705 +1 0.3243 H( 3224 HOH 363) -0.24881758 +1 -6.13294660 +1 -5.51406490 +1 0.3710 H( 3225 HOH 363) -0.99332733 +1 -7.38308304 +1 -4.94287147 +1 0.3734 H( 3226 HOH 364) 9.47529575 +1 -17.11970867 +1 1.22775001 +1 0.3660 H( 3227 HOH 364) 8.55965856 +1 -17.64935326 +1 2.33243810 +1 0.3606 H( 3228 O ) 21.10044176 +1 -19.93704960 +1 -14.40116102 +1 0.2747 H( 3229 HOH 365) -4.36404451 +1 -19.93909364 +1 -13.59596160 +1 0.3446 H( 3230 HOH 365) -4.23576862 +1 -20.49658801 +1 -12.19629150 +1 0.3495 H( 3231 HOH 366) 24.96901926 +1 -17.49074827 +1 -3.79421857 +1 0.3816 H( 3232 HOH 366) 23.56227908 +1 -18.08527973 +1 -3.71698696 +1 0.3745 H( 3233 HOH 367) 6.08009186 +1 8.53927728 +1 -15.81886204 +1 0.3679 H( 3234 HOH 367) 6.54616876 +1 9.46345297 +1 -16.94612697 +1 0.3413 H( 3235 HOH 368) 14.86504939 +1 -33.91285343 +1 -18.99964244 +1 0.3761 H( 3236 HOH 368) 15.09410749 +1 -35.41570837 +1 -19.12841606 +1 0.3341 H( 3237 HOH 369) 9.97454132 +1 -18.27275464 +1 5.56303652 +1 0.3685 H( 3238 HOH 369) 10.13252018 +1 -19.34753979 +1 4.47819335 +1 0.3451 H( 3239 HOH 370) 15.83488416 +1 6.10335743 +1 -6.19595621 +1 0.3486 H( 3240 HOH 370) 15.29883210 +1 5.01448755 +1 -5.28638953 +1 0.3658 H( 3241 HOH 371) 19.22829270 +1 -10.01854495 +1 -38.27582244 +1 0.3365 H( 3242 HOH 371) 17.72584247 +1 -10.24500879 +1 -38.14793607 +1 0.3350 H( 3243 HOH 372) 1.00792554 +1 3.23713539 +1 -4.71151514 +1 0.3564 H( 3244 HOH 372) 0.24742092 +1 2.15158418 +1 -3.96324623 +1 0.3412 H( 3245 HOH 373) 2.79473871 +1 4.21699893 +1 -9.85344342 +1 0.3606 H( 3246 HOH 373) 1.76477646 +1 3.67302475 +1 -10.86259356 +1 0.3762 H( 3247 HOH 374) 18.24807990 +1 0.78015728 +1 -15.23853625 +1 0.3621 H( 3248 HOH 374) 19.07614697 +1 -0.07419126 +1 -16.18812514 +1 0.3289 H( 3249 HOH 375) 12.81586821 +1 -28.75899107 +1 -27.05038521 +1 0.3466 H( 3250 HOH 375) 11.58503510 +1 -27.88998424 +1 -27.35218204 +1 0.3762 H( 3251 HOH 376) 1.23952235 +1 -19.97158190 +1 -7.69666843 +1 0.3587 H( 3252 HOH 376) 0.42535605 +1 -21.04035313 +1 -6.96681978 +1 0.3490 H( 3253 HOH 377) 2.69494604 +1 9.29111894 +1 -17.64771755 +1 0.3643 H( 3254 HOH 377) 1.72386964 +1 9.09677450 +1 -16.47371582 +1 0.3586 H( 3255 HOH 378) 19.99264576 +1 4.52364225 +1 -7.34620028 +1 0.3414 H( 3256 HOH 378) 19.65604685 +1 3.11760477 +1 -6.84624829 +1 0.3615 H( 3257 HOH 379) 18.60770969 +1 -25.37826634 +1 -2.60225370 +1 0.3775 H( 3258 HOH 379) 18.87244035 +1 -26.34523078 +1 -3.76632887 +1 0.3378 H( 3259 HOH 380) 11.17353270 +1 -7.41643449 +1 -32.37255150 +1 0.3288 H( 3260 HOH 380) 11.62882911 +1 -8.56536489 +1 -33.26789819 +1 0.3517 H( 3261 HOH 381) 25.91271397 +1 -13.60212118 +1 -23.60999279 +1 0.3807 H( 3262 HOH 381) 25.10822085 +1 -14.39068269 +1 -22.57636450 +1 0.3518 H( 3263 HOH 382) 11.33918974 +1 5.08062272 +1 -0.21534014 +1 0.3681 H( 3264 HOH 382) 10.52328181 +1 4.85230271 +1 -1.53680594 +1 0.3838 H( 3265 HOH 383) 7.33979263 +1 9.06364689 +1 -12.63399749 +1 0.3267 H( 3266 HOH 383) 6.03524244 +1 9.42438447 +1 -13.30539085 +1 0.3646 H( 3267 HOH 384) -7.23361355 +1 -5.48218260 +1 -9.06992953 +1 0.3255 H( 3268 HOH 384) -7.12727781 +1 -4.44754800 +1 -10.17745506 +1 0.3494 H( 3269 HOH 385) 10.07932047 +1 8.48342303 +1 -2.96919210 +1 0.3739 H( 3270 HOH 385) 9.00653420 +1 8.40208577 +1 -1.89557179 +1 0.3683 H( 3271 HOH 386) -2.23364270 +1 -6.94403381 +1 -6.51860902 +1 0.3859 H( 3272 HOH 386) -3.63099696 +1 -7.55493354 +1 -6.35623745 +1 0.3428 H( 3273 HOH 387) 19.57361611 +1 -29.66990133 +1 -16.72527199 +1 0.3800 H( 3274 HOH 387) 20.00610417 +1 -31.13666930 +1 -16.83875920 +1 0.3383 H( 3275 HOH 388) -9.12904098 +1 1.84835448 +1 -11.33934140 +1 0.3505 H( 3276 HOH 388) -10.18956970 +1 2.41218057 +1 -10.41216221 +1 0.3188 H( 3277 HOH 389) 16.03411518 +1 6.80229459 +1 -0.54380132 +1 0.3695 H( 3278 HOH 389) 16.33872353 +1 7.64191884 +1 -1.77691369 +1 0.3386 H( 3279 HOH 390) -2.96165581 +1 -13.03920996 +1 -25.83563064 +1 0.3435 H( 3280 HOH 390) -3.47768102 +1 -12.04480958 +1 -24.80540622 +1 0.3279 H( 3281 HOH 391) 7.48764307 +1 -19.54200743 +1 -31.87613602 +1 0.3616 H( 3282 HOH 391) 6.12760143 +1 -20.06545473 +1 -32.36545584 +1 0.3450 H( 3283 HOH 392) 17.16694038 +1 -6.11512438 +1 -23.24386440 +1 0.3351 H( 3284 HOH 392) 16.09355021 +1 -6.61569634 +1 -22.30249682 +1 0.3548 H( 3285 HOH 393) 5.25446840 +1 9.89612298 +1 -10.31097238 +1 0.3391 H( 3286 HOH 393) 5.34148456 +1 8.83572804 +1 -9.22851361 +1 0.3457 H( 3287 HOH 394) 3.06709755 +1 6.48380706 +1 -5.96583843 +1 0.3735 H( 3288 HOH 394) 1.76925609 +1 7.14217348 +1 -5.44182489 +1 0.3646 H( 3289 HOH 395) 25.89512605 +1 -15.36167372 +1 -18.61328596 +1 0.3426 H( 3290 HOH 395) 25.11129291 +1 -16.50962341 +1 -19.23289056 +1 0.3609 H( 3291 HOH 396) 4.93524912 +1 6.97978729 +1 -5.84900027 +1 0.3817 H( 3292 HOH 396) 5.03139349 +1 5.47079130 +1 -6.08239054 +1 0.3815 H( 3293 HOH 397) 27.48263782 +1 -6.40064072 +1 4.85030175 +1 0.3294 H( 3294 HOH 397) 26.30158354 +1 -7.02434933 +1 5.59276001 +1 0.3535 H( 3295 HOH 398) 27.74262000 +1 -13.70719422 +1 -24.78960157 +1 0.3561 H( 3296 HOH 398) 26.59068944 +1 -14.54021082 +1 -25.38453096 +1 0.3560 H( 3297 HOH 399) 23.24990811 +1 -2.15904544 +1 -0.27479728 +1 0.3305 H( 3298 HOH 399) 22.06587458 +1 -2.84285906 +1 0.39001300 +1 0.3571 H( 3299 HOH 400) 3.42187240 +1 -11.06796312 +1 -1.86876649 +1 0.3830 H( 3300 HOH 400) 3.91211494 +1 -12.45798387 +1 -1.46587788 +1 0.3441 H( 3301 HOH 401) 23.34019550 +1 -27.88137888 +1 -23.65590441 +1 0.3592 H( 3302 HOH 401) 23.21353072 +1 -29.15927685 +1 -22.81649189 +1 0.3541 H( 3303 HOH 402) 4.85212189 +1 -11.34158741 +1 -31.27981907 +1 0.3445 H( 3304 HOH 402) 3.54839848 +1 -11.96459900 +1 -31.76483955 +1 0.3487 H( 3305 HOH 403) -6.21690712 +1 -11.40886722 +1 -21.66708808 +1 0.3482 H( 3306 HOH 403) -7.55559368 +1 -11.62570346 +1 -22.35371140 +1 0.3262 H( 3307 HOH 404) 21.08675680 +1 -27.86762465 +1 -17.30752336 +1 0.3791 H( 3308 HOH 404) 20.99932676 +1 -28.10621029 +1 -15.79355814 +1 0.3448 H( 3309 HOH 405) 13.82163796 +1 -35.55702969 +1 -24.87237264 +1 0.3499 H( 3310 HOH 405) 12.74687022 +1 -34.47145019 +1 -24.75579820 +1 0.3560 H( 3311 HOH 406) 4.20997870 +1 4.69485819 +1 -8.14033073 +1 0.3439 H( 3312 HOH 406) 2.77340272 +1 4.95249715 +1 -7.72861839 +1 0.3681 H( 3313 HOH 407) 3.24682981 +1 3.71312149 +1 -4.43522404 +1 0.3983 H( 3314 HOH 407) 2.28600222 +1 4.53247191 +1 -5.33942685 +1 0.3943 H( 3315 HOH 408) 18.74201937 +1 6.82016889 +1 1.91020182 +1 0.3324 H( 3316 HOH 408) 17.72284269 +1 6.13309241 +1 1.02478903 +1 0.3559 H( 3317 HOH 409) 12.35585719 +1 7.39600173 +1 -2.78832493 +1 0.3656 H( 3318 HOH 409) 11.53963539 +1 6.82815375 +1 -1.60965578 +1 0.3546 H( 3319 HOH 410) 17.58568540 +1 -10.86634675 +1 -28.38301742 +1 0.3340 H( 3320 HOH 410) 16.12438322 +1 -11.24549373 +1 -28.14149413 +1 0.3730 H( 3321 HOH 411) 11.21092978 +1 -18.61131729 +1 7.26090551 +1 0.3483 H( 3322 HOH 411) 9.80822263 +1 -18.09033584 +1 7.60778662 +1 0.3484 H( 3323 HOH 412) 21.87324704 +1 -0.07730446 +1 -8.77341913 +1 0.3776 H( 3324 HOH 412) 21.80439935 +1 1.34457515 +1 -8.19638856 +1 0.3298 H( 3325 HOH 413) 28.64259446 +1 -13.11243351 +1 0.73485494 +1 0.3478 H( 3326 HOH 413) 29.04820328 +1 -14.04279256 +1 -0.42170383 +1 0.3522 H( 3327 HOH 414) 9.00656955 +1 13.12992802 +1 -9.36717286 +1 0.3766 H( 3328 HOH 414) 8.23831738 +1 12.46398231 +1 -10.54816983 +1 0.3624 H( 3329 HOH 415) 27.13040196 +1 -6.13095229 +1 -7.01670104 +1 0.3437 H( 3330 HOH 415) 25.68357190 +1 -6.48882584 +1 -6.75952495 +1 0.3504 H( 3331 HOH 416) 16.03714226 +1 -23.74912485 +1 0.08644124 +1 0.3542 H( 3332 HOH 416) 15.03432125 +1 -24.53645994 +1 -0.75176541 +1 0.3841 H( 3333 HOH 417) 30.81806711 +1 -8.16445547 +1 3.56037423 +1 0.3390 H( 3334 HOH 417) 30.99245236 +1 -8.76989134 +1 2.17244598 +1 0.3377 H( 3335 HOH 418) 12.51255429 +1 -34.56313020 +1 -19.88888333 +1 0.3631 H( 3336 HOH 418) 11.20705312 +1 -34.98285911 +1 -19.19166849 +1 0.3412 H( 3337 HOH 419) -1.43857792 +1 -15.20071302 +1 -26.51718766 +1 0.3488 H( 3338 HOH 419) -2.49372095 +1 -15.71288095 +1 -25.53701106 +1 0.3439 H( 3339 HOH 420) 10.43340487 +1 13.80747077 +1 -7.86531600 +1 0.3491 H( 3340 HOH 420) 9.04238300 +1 13.80783393 +1 -7.22617765 +1 0.3470 H( 3341 HOH 421) 26.34752191 +1 -18.93126619 +1 -19.02915855 +1 0.3534 H( 3342 HOH 421) 24.86656580 +1 -19.31346309 +1 -19.24457829 +1 0.3670 H( 3343 HOH 422) 16.58244216 +1 -25.69680745 +1 -9.71179861 +1 0.3397 H( 3344 HOH 422) 16.44241322 +1 -26.77638410 +1 -8.66377882 +1 0.3576 H( 3345 HOH 423) -0.26991259 +1 2.23390876 +1 0.63682480 +1 0.3390 H( 3346 HOH 423) -0.65428272 +1 1.04774162 +1 1.51423525 +1 0.3546 H( 3347 HOH 424) 28.44830969 +1 -7.93718196 +1 1.93975656 +1 0.3483 H( 3348 HOH 424) 27.07522726 +1 -8.55130259 +1 1.68345346 +1 0.3540 H( 3349 THR 96) 0.39224576 +1 -5.66649213 +1 -26.42529345 +1 0.1436