SUMMARY OF PM6 CALCULATION, Site No: 6578 MOPAC2012 (Version: 12.112M) Tue Apr 24 12:19:13 2012 No. of days left = 363 Empirical Formula: C550 H1067 N144 O284 S5 = 2050 atoms CHARGE=-1 SETUP PM6 LET GNORM=10 PDBOUT PL MOZYME NOOPT OPT-H 2W1R HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -14609.75247 KCAL/MOL = -61127.20434 KJ/MOL TOTAL ENERGY = -191528.34195 EV ELECTRONIC ENERGY = -16802017.01101 EV CORE-CORE REPULSION = 16610488.66906 EV GRADIENT NORM = 9.16140 DIPOLE = 94.94214 DEBYE NO. OF FILLED LEVELS = 2861 CHARGE ON SYSTEM = -1 MOLECULAR WEIGHT = 14402.574 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 1933 H 1622 40.19422 H 1243 H 2018 36.38186 H 1353 H 1866 35.92973 SCF CALCULATIONS = 19 COMPUTATION TIME = 1 HOURS 11 MINUTES AND 15.450 SECONDS FINAL GEOMETRY OBTAINED CHARGE *HEADER TRANSCRIPTION 20-OCT-08 2W1R *TITLE CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF B. SUBTILIS *TITLE 2 SPOVT *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: STAGE V SPORULATION PROTEIN T; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: C-TERMINAL DOMAIN GAF DOMAIN, RESIDUES 56-178; *COMPND 5 SYNONYM: SPOVT; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; *SOURCE 3 STRAIN: PY79; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_STRAIN: C41 (DE3); *SOURCE 6 EXPRESSION_SYSTEM_VECTOR: PET; *SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET30B *KEYWDS REGULATORY GAF DOMAIN OF SPOVT, TRANSCRIPTION, *KEYWDS 2 TRANSCRIPTION REGULATION, REPRESSOR, ACTIVATOR, *KEYWDS 3 SPORULATION, DNA-BINDING *EXPDTA X-RAY DIFFRACTION *AUTHOR I.ASEN,S.DJURANOVIC,A.N.LUPAS,K.ZETH *REVDAT 1 18-NOV-08 2W1R 0 *JRNL AUTH I.ASEN,S.DJURANOVIC,A.N.LUPAS,K.ZETH *JRNL TITL CRYSTAL STRUCTURE OF SPOVT, THE FINAL MODULATOR OF *JRNL TITL 2 GENE EXPRESSION DURING SPORE DEVELOPMENT IN *JRNL TITL 3 BACILLUS SUBTILIS *JRNL REF TO BE PUBLISHED *JRNL REFN *REMARK 2 *REMARK 2 RESOLUTION. 1.5 ANGSTROMS. *REMARK 3 *REMARK 3 REFINEMENT. *REMARK 3 PROGRAM : REFMAC 5.2.0019 *REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON *REMARK 3 *REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD *REMARK 3 *REMARK 3 DATA USED IN REFINEMENT. *REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 *REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 *REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE *REMARK 3 COMPLETENESS FOR RANGE (%) : 99.32 *REMARK 3 NUMBER OF REFLECTIONS : 24815 *REMARK 3 *REMARK 3 FIT TO DATA USED IN REFINEMENT. *REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT *REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM *REMARK 3 R VALUE (WORKING + TEST SET) : 0.22332 *REMARK 3 R VALUE (WORKING SET) : 0.22235 *REMARK 3 FREE R VALUE : 0.24217 *REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.1 *REMARK 3 FREE R VALUE TEST SET COUNT : 1322 *REMARK 3 *REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. *REMARK 3 TOTAL NUMBER OF BINS USED : 20 *REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.500 *REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.539 *REMARK 3 REFLECTION IN BIN (WORKING SET) : 1781 *REMARK 3 BIN R VALUE (WORKING SET) : 0.328 *REMARK 3 BIN FREE R VALUE SET COUNT : 98 *REMARK 3 BIN FREE R VALUE : 0.349 *REMARK 3 *REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. *REMARK 3 PROTEIN ATOMS : 902 *REMARK 3 NUCLEIC ACID ATOMS : 0 *REMARK 3 HETEROGEN ATOMS : 0 *REMARK 3 SOLVENT ATOMS : 98 *REMARK 3 *REMARK 3 B VALUES. *REMARK 3 FROM WILSON PLOT (A**2) : NULL *REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.244 *REMARK 3 OVERALL ANISOTROPIC B VALUE. *REMARK 3 B11 (A**2) : -0.37 *REMARK 3 B22 (A**2) : -0.37 *REMARK 3 B33 (A**2) : 0.74 *REMARK 3 B12 (A**2) : 0.00 *REMARK 3 B13 (A**2) : 0.00 *REMARK 3 B23 (A**2) : 0.00 *REMARK 3 *REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. *REMARK 3 ESU BASED ON R VALUE (A): 0.075 *REMARK 3 ESU BASED ON FREE R VALUE (A): 0.074 *REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.052 *REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.364 *REMARK 3 *REMARK 3 CORRELATION COEFFICIENTS. *REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.949 *REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.942 *REMARK 3 *REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT *REMARK 3 BOND LENGTHS REFINED (A): 916 ; 0.006 ; 0.022 *REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL *REMARK 3 BOND ANGLES REFINED (DEGREES): 1241 ; 0.990 ; 1.966 *REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL *REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 122 ; 5.041 ; 5.000 *REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 42 ;29.996 ;25.714 *REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 163 ;12.300 ;15.000 *REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ; 5.839 ;15.000 *REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 143 ; 0.065 ; 0.200 *REMARK 3 GENERAL PLANES REFINED (A): 689 ; 0.003 ; 0.020 *REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL *REMARK 3 NON-BONDED CONTACTS REFINED (A): 467 ; 0.186 ; 0.200 *REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL *REMARK 3 NON-BONDED TORSION REFINED (A): 654 ; 0.296 ; 0.200 *REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL *REMARK 3 H-BOND (X...Y) REFINED (A): 103 ; 0.160 ; 0.200 *REMARK 3 SYMMETRY VDW REFINED (A): 33 ; 0.185 ; 0.200 *REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL *REMARK 3 SYMMETRY H-BOND REFINED (A): 17 ; 0.203 ; 0.200 *REMARK 3 *REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT *REMARK 3 MAIN-CHAIN BOND REFINED (A**2): 601 ; 0.594 ; 1.500 *REMARK 3 MAIN-CHAIN ANGLE REFINED (A**2): 945 ; 1.074 ; 2.000 *REMARK 3 SIDE-CHAIN BOND REFINED (A**2): 347 ; 1.475 ; 3.000 *REMARK 3 SIDE-CHAIN ANGLE REFINED (A**2): 293 ; 2.341 ; 4.500 *REMARK 3 *REMARK 3 NCS RESTRAINTS STATISTICS *REMARK 3 NUMBER OF NCS GROUPS : NULL *REMARK 3 *REMARK 3 TLS DETAILS *REMARK 3 NUMBER OF TLS GROUPS : NULL *REMARK 3 *REMARK 3 BULK SOLVENT MODELLING. *REMARK 3 METHOD USED : MASK *REMARK 3 PARAMETERS FOR MASK CALCULATION *REMARK 3 VDW PROBE RADIUS : 1.40 *REMARK 3 ION PROBE RADIUS : 0.80 *REMARK 3 SHRINKAGE RADIUS : 0.80 *REMARK 3 *REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE *REMARK 3 RIDING POSITIONS. AMINO ACIDS AT THE N- AND C-TERMINUS *REMARK 3 WERE DISORDERED *REMARK 4 *REMARK 4 2W1R COMPLIES WITH FORMAT V. 3.1, 01-AUG-2007 *REMARK 100 *REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI ON 21-OCT-2008. *REMARK 100 THE EBI ID CODE IS EBI-37864. *REMARK 200 *REMARK 200 EXPERIMENTAL DETAILS *REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION *REMARK 200 DATE OF DATA COLLECTION : 07-DEC-2005 *REMARK 200 TEMPERATURE (KELVIN) : 100 *REMARK 200 PH : 7.5 *REMARK 200 NUMBER OF CRYSTALS USED : 1 *REMARK 200 *REMARK 200 SYNCHROTRON (Y/N) : Y *REMARK 200 RADIATION SOURCE : SLS *REMARK 200 BEAMLINE : X10SA *REMARK 200 X-RAY GENERATOR MODEL : NULL *REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M *REMARK 200 WAVELENGTH OR RANGE (A) : 0.979 *REMARK 200 MONOCHROMATOR : NULL *REMARK 200 OPTICS : NULL *REMARK 200 *REMARK 200 DETECTOR TYPE : CCD *REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH *REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM *REMARK 200 DATA SCALING SOFTWARE : XSCALE *REMARK 200 *REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19148 *REMARK 200 RESOLUTION RANGE HIGH (A) : 2.06 *REMARK 200 RESOLUTION RANGE LOW (A) : 20.00 *REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 4.7 *REMARK 200 *REMARK 200 OVERALL. *REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8 *REMARK 200 DATA REDUNDANCY : 11.5 *REMARK 200 R MERGE (I) : 0.08 *REMARK 200 R SYM (I) : NULL *REMARK 200 FOR THE DATA SET : 14.30 *REMARK 200 *REMARK 200 IN THE HIGHEST RESOLUTION SHELL. *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.06 *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.19 *REMARK 200 COMPLETENESS FOR SHELL (%) : 91.3 *REMARK 200 DATA REDUNDANCY IN SHELL : 10.9 *REMARK 200 R MERGE FOR SHELL (I) : 0.27 *REMARK 200 R SYM FOR SHELL (I) : NULL *REMARK 200 FOR SHELL : 4.70 *REMARK 200 *REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH *REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD *REMARK 200 SOFTWARE USED: RESOLVE *REMARK 200 STARTING MODEL: NONE *REMARK 200 *REMARK 200 REMARK: NONE *REMARK 280 *REMARK 280 CRYSTAL *REMARK 280 SOLVENT CONTENT, VS (%): 55.2 *REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.7 *REMARK 280 *REMARK 280 CRYSTALLIZATION CONDITIONS: 200 MM NACL, 100 MM HEPES PH *REMARK 280 7.5, 25% PEG 3350 *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY *REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 *REMARK 290 *REMARK 290 SYMOP SYMMETRY *REMARK 290 NNNMMM OPERATOR *REMARK 290 1555 X,Y,Z *REMARK 290 2555 -X,-Y,Z+1/2 *REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 *REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 *REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 *REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 *REMARK 290 7555 Y,X,-Z *REMARK 290 8555 -Y,-X,-Z+1/2 *REMARK 290 *REMARK 290 WHERE NNN -> OPERATOR NUMBER *REMARK 290 MMM -> TRANSLATION VECTOR *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS *REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM *REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY *REMARK 290 RELATED MOLECULES. *REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 *REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 38.66500 *REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 31.96500 *REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 31.96500 *REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 57.99750 *REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 31.96500 *REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 31.96500 *REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 19.33250 *REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 31.96500 *REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 31.96500 *REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 57.99750 *REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 31.96500 *REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 31.96500 *REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 19.33250 *REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 *REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 *REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 *REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 38.66500 *REMARK 290 *REMARK 290 REMARK: NULL *REMARK 300 *REMARK 300 BIOMOLECULE: 1 *REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM *REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN *REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON *REMARK 300 BURIED SURFACE AREA. *REMARK 350 *REMARK 350 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 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC *REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC *REMARK 350 SOFTWARE USED: PQS *REMARK 350 TOTAL BURIED SURFACE AREA: 1450 ANGSTROM**2 *REMARK 350 SURFACE AREA OF THE COMPLEX: 12960 ANGSTROM**2 *REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -16.1 KCAL/MOL *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 350 BIOMT1 2 0.000000 -1.000000 0.000000 63.93000 *REMARK 350 BIOMT2 2 -1.000000 0.000000 0.000000 63.93000 *REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 38.66500 *REMARK 375 *REMARK 375 SPECIAL POSITION *REMARK 375 HOH A2044 LIES ON A SPECIAL POSITION. *REMARK 375 HOH A2085 LIES ON A SPECIAL POSITION. *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 GLY A 56 *REMARK 465 ARG A 174 *REMARK 465 GLN A 175 *REMARK 465 MET A 176 *REMARK 465 GLU A 177 *REMARK 465 GLN A 178 *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 DISTANCE *REMARK 500 OE2 GLU A 161 - O HOH A 2088 2.10 *REMARK 500 O HOH A 2007 - O HOH A 2088 2.12 *REMARK 500 *REMARK 500 REMARK: NULL *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: TORSION ANGLES *REMARK 500 *REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: *REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; *REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). *REMARK 500 STANDARD TABLE: *REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) *REMARK 500 *REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- *REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 *REMARK 500 *REMARK 500 M RES CSSEQI PSI PHI *REMARK 500 ASP A 78 -150.54 -91.87 *REMARK 500 ASP A 80 -50.07 -124.89 *REMARK 500 TYR A 93 -36.52 -131.15 *REMARK 500 ARG A 109 -27.28 69.17 *REMARK 500 LYS A 118 -56.39 69.11 *REMARK 500 *REMARK 500 REMARK: NULL *REMARK 525 *REMARK 525 SOLVENT *REMARK 525 *REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT *REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST *REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT *REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE *REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; *REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE *REMARK 525 NUMBER; I=INSERTION CODE): *REMARK 900 *REMARK 900 RELATED ENTRIES *REMARK 900 RELATED ID: 2W1T RELATED DB: PDB *REMARK 900 CRYSTAL STRUCTURE OF B. SUBTILIS SPOVT *REMARK 999 *REMARK 999 SEQUENCE *REMARK 999 AMINO ACIDS 55 - 178 *DBREF 2W1R A 56 178 UNP P37554 SP5T_BACSU 56 178 *SEQRES 1 A 123 GLY ASP PHE ALA LYS GLU TYR ALA ASP ALA LEU TYR ASP *SEQRES 2 A 123 SER LEU GLY HIS SER VAL LEU ILE CYS ASP ARG ASP VAL *SEQRES 3 A 123 TYR ILE ALA VAL SER GLY SER SER LYS LYS ASP TYR LEU *SEQRES 4 A 123 ASN LYS SER ILE SER GLU MET LEU GLU ARG THR MET ASP *SEQRES 5 A 123 GLN ARG SER SER VAL LEU GLU SER ASP ALA LYS SER VAL *SEQRES 6 A 123 GLN LEU VAL ASN GLY ILE ASP GLU ASP MET ASN SER TYR *SEQRES 7 A 123 THR VAL GLY PRO ILE VAL ALA ASN GLY ASP PRO ILE GLY *SEQRES 8 A 123 ALA VAL VAL ILE PHE SER LYS ASP GLN THR MET GLY GLU *SEQRES 9 A 123 VAL GLU HIS LYS ALA VAL GLU THR ALA ALA GLY PHE LEU *SEQRES 10 A 123 ALA ARG GLN MET GLU GLN *FORMUL 2 HOH *98(H2 O1) *HELIX 1 1 ASP A 57 GLY A 71 1 15 *HELIX 2 2 SER A 89 LEU A 94 1 6 *HELIX 3 3 SER A 99 ARG A 109 1 11 *HELIX 4 4 GLY A 158 ALA A 173 1 16 *SHEET 1 AA 5 TYR A 82 SER A 86 0 *SHEET 2 AA 5 SER A 73 CYS A 77 -1 O VAL A 74 N SER A 86 *SHEET 3 AA 5 ASP A 143 SER A 152 -1 O ALA A 147 N CYS A 77 *SHEET 4 AA 5 SER A 132 ALA A 140 -1 O SER A 132 N SER A 152 *SHEET 5 AA 5 VAL A 112 GLU A 114 -1 O VAL A 112 N VAL A 135 *SHEET 1 AB 2 LYS A 118 GLN A 121 0 *SHEET 2 AB 2 ASP A 127 MET A 130 -1 O GLU A 128 N VAL A 120 *CRYST1 63.930 63.930 77.330 90.00 90.00 90.00 P 43 21 2 8 *ORIGX1 1.000000 0.000000 0.000000 0.00000 *ORIGX2 0.000000 1.000000 0.000000 0.00000 *ORIGX3 0.000000 0.000000 1.000000 0.00000 *SCALE1 0.015642 0.000000 0.000000 0.00000 *SCALE2 0.000000 0.015642 0.000000 0.00000 *SCALE3 0.000000 0.000000 0.012932 0.00000 CHARGE=-1 SETUP PM6 LET GNORM=10 PDBOUT PL MOZYME NOOPT OPT-H 2W1R N( 1 ASP* 1) 34.47200000 +0 26.90700000 +0 27.87999900 +0 -0.5192 C( 2 ASP* 1) 32.97800100 +0 26.90300000 +0 27.90700000 +0 -0.0223 C( 3 ASP* 1) 32.41899900 +0 27.96900000 +0 26.96200000 +0 0.5721 O( 4 ASP* 1) 32.38100100 +0 29.16099900 +0 27.28300100 +0 -0.6430 C( 5 ASP 1) 32.46799900 +0 27.09900100 +0 29.33900100 +0 -0.5319 C( 6 ASP 1) 31.01400000 +0 26.67100000 +0 29.51800000 +0 0.6710 O( 7 ASP 1) 30.25700000 +0 26.61200000 +0 28.52000000 +0 -0.5401 O( 8 ASP 1) 30.62500000 +0 26.40800100 +0 30.68100000 +0 -0.4555 N( 9 PHE* 2) 31.97300000 +0 27.51000000 +0 25.79900000 +0 -0.4202 C( 10 PHE* 2) 31.56100100 +0 28.36500000 +0 24.69199900 +0 -0.0411 C( 11 PHE* 2) 30.24399900 +0 29.11400000 +0 24.94000100 +0 0.5578 O( 12 PHE* 2) 30.12800000 +0 30.31200000 +0 24.64900000 +0 -0.6150 C( 13 PHE 2) 31.44100000 +0 27.50700000 +0 23.43700000 +0 -0.3371 C( 14 PHE 2) 31.52899900 +0 28.28000100 +0 22.16700000 +0 0.0440 C( 15 PHE 2) 32.75999800 +0 28.71800000 +0 21.69700100 +0 -0.1873 C( 16 PHE 2) 30.38800000 +0 28.55699900 +0 21.43000000 +0 -0.1862 C( 17 PHE 2) 32.85100200 +0 29.42799900 +0 20.51800000 +0 -0.1151 C( 18 PHE 2) 30.46900000 +0 29.26899900 +0 20.24399900 +0 -0.1185 C( 19 PHE 2) 31.70700100 +0 29.70400000 +0 19.78599900 +0 -0.1568 N( 20 ALA* 3) 29.25499900 +0 28.39399900 +0 25.46200000 +0 -0.4689 C( 21 ALA* 3) 27.96900000 +0 28.97800100 +0 25.82300000 +0 -0.0007 C( 22 ALA* 3) 28.13500000 +0 29.98600000 +0 26.95700100 +0 0.5571 O( 23 ALA* 3) 27.50200100 +0 31.04299900 +0 26.94700100 +0 -0.6266 C( 24 ALA 3) 26.98000000 +0 27.88600000 +0 26.21200000 +0 -0.5212 N( 25 LYS* 4) 29.00099900 +0 29.66200100 +0 27.91900100 +0 -0.4557 C( 26 LYS* 4) 29.26499900 +0 30.54700100 +0 29.05299900 +0 -0.0485 C( 27 LYS* 4) 29.86800000 +0 31.87200000 +0 28.59199900 +0 0.5641 O( 28 LYS* 4) 29.47300000 +0 32.93399800 +0 29.06900000 +0 -0.6312 C( 29 LYS 4) 30.18400000 +0 29.87200000 +0 30.07700000 +0 -0.3154 C( 30 LYS 4) 30.40300000 +0 30.67900100 +0 31.34700000 +0 -0.2430 C( 31 LYS 4) 31.38400100 +0 29.99500100 +0 32.28900100 +0 -0.3301 C( 32 LYS 4) 31.61500000 +0 30.82600000 +0 33.54800000 +0 -0.1227 N( 33 LYS 4) 32.35300100 +0 32.09899900 +0 33.27299900 +0 -0.5257 N( 34 GLU* 5) 30.82200100 +0 31.79700100 +0 27.66400000 +0 -0.4481 C( 35 GLU* 5) 31.45999900 +0 32.98600000 +0 27.10500000 +0 -0.0506 C( 36 GLU* 5) 30.43600100 +0 33.90200000 +0 26.44000100 +0 0.5582 O( 37 GLU* 5) 30.46500000 +0 35.11700100 +0 26.64100100 +0 -0.6543 C( 38 GLU 5) 32.54600100 +0 32.59600100 +0 26.09900100 +0 -0.2735 C( 39 GLU 5) 33.81399900 +0 32.04100000 +0 26.73100100 +0 -0.3537 C( 40 GLU 5) 34.65300000 +0 31.20800000 +0 25.76899900 +0 0.6256 O( 41 GLU 5) 34.55500000 +0 31.40399900 +0 24.53700100 +0 -0.5775 O( 42 GLU 5) 35.42100100 +0 30.34900100 +0 26.25300000 +0 -0.4707 N( 43 TYR* 6) 29.52800000 +0 33.31100100 +0 25.66000000 +0 -0.4263 C( 44 TYR* 6) 28.52000000 +0 34.08300000 +0 24.94400000 +0 -0.0457 C( 45 TYR* 6) 27.53300100 +0 34.69900100 +0 25.93100000 +0 0.5530 O( 46 TYR* 6) 27.20500000 +0 35.88100100 +0 25.82700000 +0 -0.6465 C( 47 TYR 6) 27.78700100 +0 33.23600000 +0 23.89300000 +0 -0.3081 C( 48 TYR 6) 27.23300000 +0 34.06100100 +0 22.75600100 +0 -0.0657 C( 49 TYR 6) 27.69000100 +0 33.88800000 +0 21.45200000 +0 -0.0562 C( 50 TYR 6) 26.26300000 +0 35.03900100 +0 22.98399900 +0 -0.0724 C( 51 TYR 6) 27.18899900 +0 34.65800100 +0 20.40399900 +0 -0.3462 C( 52 TYR 6) 25.76600100 +0 35.81800100 +0 21.94500000 +0 -0.2919 C( 53 TYR 6) 26.22800100 +0 35.62400100 +0 20.66300000 +0 0.3279 O( 54 TYR 6) 25.72699900 +0 36.38800000 +0 19.63400100 +0 -0.5109 N( 55 ALA* 7) 27.08400000 +0 33.90100100 +0 26.89699900 +0 -0.4427 C( 56 ALA* 7) 26.17600100 +0 34.39500000 +0 27.92300000 +0 -0.0114 C( 57 ALA* 7) 26.80500000 +0 35.57400100 +0 28.66000000 +0 0.5790 O( 58 ALA* 7) 26.13600000 +0 36.56700100 +0 28.92400000 +0 -0.6463 C( 59 ALA 7) 25.79299900 +0 33.27500200 +0 28.89300000 +0 -0.4946 N( 60 ASP* 8) 28.09700000 +0 35.46799900 +0 28.97200000 +0 -0.4501 C( 61 ASP* 8) 28.80200000 +0 36.55400100 +0 29.65300000 +0 0.0126 C( 62 ASP* 8) 28.86200000 +0 37.80799900 +0 28.78900000 +0 0.5479 O( 63 ASP* 8) 28.66700000 +0 38.92100100 +0 29.28100000 +0 -0.6347 C( 64 ASP 8) 30.21600000 +0 36.12200200 +0 30.05400100 +0 -0.4982 C( 65 ASP 8) 30.22600000 +0 35.16500100 +0 31.23900000 +0 0.7023 O( 66 ASP 8) 29.21500000 +0 35.09000000 +0 31.96699900 +0 -0.5576 O( 67 ASP 8) 31.26000000 +0 34.49100100 +0 31.44700100 +0 -0.4817 N( 68 ALA* 9) 29.13299900 +0 37.61999900 +0 27.49900100 +0 -0.4421 C( 69 ALA* 9) 29.18499900 +0 38.73400100 +0 26.54900000 +0 -0.0139 C( 70 ALA* 9) 27.83300000 +0 39.42100100 +0 26.42300000 +0 0.5521 O( 71 ALA* 9) 27.75499900 +0 40.64899800 +0 26.34400000 +0 -0.6622 C( 72 ALA 9) 29.65800100 +0 38.26200100 +0 25.18899900 +0 -0.5007 N( 73 LEU* 10) 26.76899900 +0 38.62300100 +0 26.41099900 +0 -0.4204 C( 74 LEU* 10) 25.41700000 +0 39.16700000 +0 26.35899900 +0 -0.0496 C( 75 LEU* 10) 25.07000000 +0 39.94900100 +0 27.61599900 +0 0.5500 O( 76 LEU* 10) 24.45200000 +0 41.00999800 +0 27.54100000 +0 -0.6504 C( 77 LEU 10) 24.39300000 +0 38.05899800 +0 26.11800000 +0 -0.3476 C( 78 LEU 10) 24.19000100 +0 37.62300100 +0 24.67000000 +0 0.0427 C( 79 LEU 10) 23.44700100 +0 36.30300100 +0 24.65200000 +0 -0.5161 C( 80 LEU 10) 23.43000000 +0 38.68600100 +0 23.86400000 +0 -0.5195 N( 81 TYR* 11) 25.46600000 +0 39.42100100 +0 28.77400000 +0 -0.4330 C( 82 TYR* 11) 25.21600000 +0 40.11399800 +0 30.02800000 +0 -0.0574 C( 83 TYR* 11) 25.98700000 +0 41.42400000 +0 30.07300000 +0 0.5674 O( 84 TYR* 11) 25.42000000 +0 42.47100100 +0 30.39399900 +0 -0.6081 C( 85 TYR 11) 25.57200100 +0 39.25299800 +0 31.24300000 +0 -0.2947 C( 86 TYR 11) 25.46699900 +0 40.02600100 +0 32.54000100 +0 -0.0878 C( 87 TYR 11) 24.23300000 +0 40.51400000 +0 32.98000000 +0 -0.0698 C( 88 TYR 11) 26.59600100 +0 40.28500000 +0 33.31600200 +0 -0.0445 C( 89 TYR 11) 24.12299900 +0 41.23600000 +0 34.16199900 +0 -0.3043 C( 90 TYR 11) 26.49600000 +0 41.00899900 +0 34.50899900 +0 -0.3606 C( 91 TYR 11) 25.25300000 +0 41.47600200 +0 34.92100100 +0 0.3394 O( 92 TYR 11) 25.12900000 +0 42.19100200 +0 36.09000000 +0 -0.4720 N( 93 ASP* 12) 27.27500000 +0 41.36200000 +0 29.73500100 +0 -0.4512 C( 94 ASP* 12) 28.13200000 +0 42.55199800 +0 29.74600000 +0 -0.0048 C( 95 ASP* 12) 27.58200100 +0 43.66899900 +0 28.86200000 +0 0.5440 O( 96 ASP* 12) 27.64600000 +0 44.84199900 +0 29.22600000 +0 -0.5356 C( 97 ASP 12) 29.54999900 +0 42.21300100 +0 29.28300100 +0 -0.4164 C( 98 ASP 12) 30.32500100 +0 41.39300200 +0 30.29600000 +0 0.6426 O( 99 ASP 12) 29.86000100 +0 41.24499900 +0 31.44700100 +0 -0.5719 O( 100 ASP 12) 31.41099900 +0 40.89500000 +0 29.92600100 +0 -0.4777 N( 101 SER* 13) 27.04500000 +0 43.29399900 +0 27.70200000 +0 -0.4488 C( 102 SER* 13) 25.14699900 +0 44.75500100 +0 27.00700000 +0 0.5702 O( 103 SER* 13) 24.88200000 +0 45.94900100 +0 26.95200000 +0 -0.5745 C( 104 SER* 13) 26.56200000 +0 44.25199900 +0 26.71299900 +0 -0.1314 C( 105 SER 13) 26.62599900 +0 43.63200000 +0 25.31500100 +0 -0.0150 O( 106 SER 13) 26.08499900 +0 44.50000000 +0 24.33900100 +0 -0.5401 N( 107 LEU* 14) 24.23700000 +0 43.83400000 +0 27.31800100 +0 -0.4601 C( 108 LEU* 14) 22.82200100 +0 44.18600100 +0 27.48700000 +0 -0.0434 C( 109 LEU* 14) 22.37299900 +0 44.41899900 +0 28.92700000 +0 0.5402 O( 110 LEU* 14) 21.37100000 +0 45.09500100 +0 29.16099900 +0 -0.6490 C( 111 LEU 14) 21.92600100 +0 43.14199800 +0 26.81800100 +0 -0.3493 C( 112 LEU 14) 22.27400000 +0 42.75999800 +0 25.37900000 +0 0.0504 C( 113 LEU 14) 21.31900000 +0 41.69599900 +0 24.89100100 +0 -0.5117 C( 114 LEU 14) 22.25300000 +0 43.97100100 +0 24.45500000 +0 -0.5147 N( 115 GLY* 15) 23.09499900 +0 43.83300000 +0 29.87800000 +0 -0.3908 C( 116 GLY* 15) 22.82200100 +0 44.05799900 +0 31.29700100 +0 -0.2508 C( 117 GLY* 15) 21.62500000 +0 43.31300000 +0 31.85400000 +0 0.5887 O( 118 GLY* 15) 21.12000100 +0 43.65100100 +0 32.93199900 +0 -0.5936 N( 119 HIS* 16) 21.16500100 +0 42.29700100 +0 31.12900000 +0 -0.4433 C( 120 HIS* 16) 20.05299900 +0 41.47200000 +0 31.59300000 +0 -0.0384 C( 121 HIS* 16) 20.52800000 +0 40.05500000 +0 31.84700000 +0 0.5617 O( 122 HIS* 16) 21.53700100 +0 39.62200200 +0 31.29700100 +0 -0.6507 C( 123 HIS 16) 18.92700000 +0 41.44300100 +0 30.56200000 +0 -0.3043 C( 124 HIS 16) 18.51000000 +0 42.79900000 +0 30.09199900 +0 0.1339 N( 125 HIS 16) 18.00600100 +0 43.75600100 +0 30.94400000 +0 -0.4196 C( 126 HIS 16) 18.54200000 +0 43.36600100 +0 28.86200000 +0 -0.2864 C( 127 HIS 16) 17.73700000 +0 44.85300100 +0 30.25799900 +0 -0.0044 N( 128 HIS 16) 18.05500000 +0 44.64199800 +0 28.99300000 +0 -0.2034 N( 129 SER* 17) 19.78800000 +0 39.33900100 +0 32.68299900 +0 -0.4297 C( 130 SER* 17) 20.06300000 +0 37.93199900 +0 32.92599900 +0 -0.1412 C( 131 SER* 17) 19.98000000 +0 37.14699900 +0 31.63100100 +0 0.5773 O( 132 SER* 17) 19.09400000 +0 37.38399900 +0 30.80200000 +0 -0.6373 C( 133 SER 17) 19.07300000 +0 37.36899900 +0 33.92699800 +0 -0.0121 O( 134 SER 17) 19.22300000 +0 37.99900100 +0 35.18299900 +0 -0.5854 N( 135 VAL* 18) 20.91099900 +0 36.21200200 +0 31.47300000 +0 -0.4168 C( 136 VAL* 18) 21.01300000 +0 35.39300200 +0 30.27899900 +0 -0.1178 C( 137 VAL* 18) 21.11599900 +0 33.93299900 +0 30.69300100 +0 0.5757 O( 138 VAL* 18) 21.93499900 +0 33.58400000 +0 31.54700100 +0 -0.6843 C( 139 VAL 18) 22.26899900 +0 35.75400200 +0 29.45599900 +0 0.0169 C( 140 VAL 18) 22.31699900 +0 34.93600100 +0 28.16500100 +0 -0.5159 C( 141 VAL 18) 22.30400100 +0 37.24499900 +0 29.12999900 +0 -0.5175 N( 142 LEU* 19) 20.27400000 +0 33.09500100 +0 30.10000000 +0 -0.4198 C( 143 LEU* 19) 20.37100000 +0 31.64600000 +0 30.25799900 +0 -0.0687 C( 144 LEU* 19) 20.57399900 +0 30.99700000 +0 28.90900000 +0 0.5560 O( 145 LEU* 19) 20.01199900 +0 31.44000100 +0 27.89900000 +0 -0.6534 C( 146 LEU 19) 19.09700000 +0 31.07799900 +0 30.88800000 +0 -0.3417 C( 147 LEU 19) 18.59800000 +0 31.72100100 +0 32.17800100 +0 0.0514 C( 148 LEU 19) 17.27500000 +0 31.10500000 +0 32.58100100 +0 -0.5285 C( 149 LEU 19) 19.62500000 +0 31.58900100 +0 33.29399900 +0 -0.5174 N( 150 ILE* 20) 21.37900000 +0 29.94700100 +0 28.89100100 +0 -0.4176 C( 151 ILE* 20) 21.47400100 +0 29.09700000 +0 27.71699900 +0 -0.1205 C( 152 ILE* 20) 21.21299900 +0 27.68100000 +0 28.18199900 +0 0.5468 O( 153 ILE* 20) 21.77700000 +0 27.24000000 +0 29.18000000 +0 -0.7395 C( 154 ILE 20) 22.83799900 +0 29.21900000 +0 26.99900100 +0 -0.0222 C( 155 ILE 20) 23.04299900 +0 30.67600100 +0 26.54500000 +0 -0.2621 C( 156 ILE 20) 22.89699900 +0 28.26600100 +0 25.80600000 +0 -0.5129 C( 157 ILE 20) 24.37299900 +0 30.97400100 +0 25.87599900 +0 -0.4709 N( 158 CYS* 21) 20.32399900 +0 26.99600000 +0 27.47500000 +0 -0.3440 C( 159 CYS* 21) 20.05299900 +0 25.60000000 +0 27.77300100 +0 -0.1057 C( 160 CYS* 21) 20.38100100 +0 24.71200000 +0 26.60100000 +0 0.6202 O( 161 CYS* 21) 20.46600000 +0 25.17700000 +0 25.45800000 +0 -0.6320 C( 162 CYS 21) 18.58400000 +0 25.40500100 +0 28.15300000 +0 -0.1697 S( 163 CYS 21) 17.38299900 +0 25.88500000 +0 26.89100100 +0 -0.9587 N( 164 ASP* 22) 20.58300000 +0 23.42900100 +0 26.89600000 +0 -0.4594 C( 165 ASP* 22) 20.54000100 +0 22.40800100 +0 25.86000100 +0 -0.0007 C( 166 ASP* 22) 19.10300100 +0 21.87700100 +0 25.79299900 +0 0.5104 O( 167 ASP* 22) 18.15800100 +0 22.61300100 +0 26.09000000 +0 -0.4954 C( 168 ASP 22) 21.60300100 +0 21.31399900 +0 26.08499900 +0 -0.4992 C( 169 ASP 22) 21.45700100 +0 20.58300000 +0 27.42400000 +0 0.7157 O( 170 ASP 22) 20.40099900 +0 20.69100000 +0 28.08600000 +0 -0.6357 O( 171 ASP 22) 22.41200100 +0 19.87299900 +0 27.79700100 +0 -0.5159 N( 172 ARG* 23) 18.91799900 +0 20.61500000 +0 25.40800100 +0 -0.4893 C( 173 ARG* 23) 17.57000000 +0 20.05100100 +0 25.32500100 +0 -0.0441 C( 174 ARG* 23) 16.93899900 +0 19.77800000 +0 26.69800000 +0 0.5688 O( 175 ARG* 23) 15.73400000 +0 19.52199900 +0 26.79999900 +0 -0.6214 C( 176 ARG 23) 17.59000000 +0 18.74700000 +0 24.52300100 +0 -0.3095 C( 177 ARG 23) 17.92300000 +0 18.87299900 +0 23.03599900 +0 -0.2925 C( 178 ARG 23) 18.09700000 +0 17.46900000 +0 22.45999900 +0 -0.1071 N( 179 ARG 23) 18.51000000 +0 17.42700000 +0 21.05699900 +0 -0.4327 C( 180 ARG 23) 19.77300100 +0 17.39800100 +0 20.63800000 +0 0.5078 N( 181 ARG 23) 20.77899900 +0 17.43199900 +0 21.50200100 +0 -0.6103 N( 182 ARG 23) 20.03100000 +0 17.34199900 +0 19.33799900 +0 -0.7327 N( 183 ASP* 24) 17.75200100 +0 19.85400000 +0 27.74900100 +0 -0.4462 C( 184 ASP* 24) 17.36400000 +0 19.34300000 +0 29.06300000 +0 -0.0130 C( 185 ASP* 24) 17.45500000 +0 20.35400000 +0 30.20000100 +0 0.5617 O( 186 ASP* 24) 16.51600100 +0 20.51100000 +0 30.97900000 +0 -0.6549 C( 187 ASP 24) 18.22100100 +0 18.12000100 +0 29.40300000 +0 -0.5184 C( 188 ASP 24) 18.06699900 +0 17.00499900 +0 28.38800000 +0 0.7007 O( 189 ASP 24) 16.94500000 +0 16.48100100 +0 28.26499900 +0 -0.5506 O( 190 ASP 24) 19.06300000 +0 16.67300000 +0 27.71699900 +0 -0.5412 N( 191 VAL* 25) 18.60000000 +0 21.01899900 +0 30.29900000 +0 -0.3836 C( 192 VAL* 25) 18.90600000 +0 21.85600100 +0 31.46100000 +0 -0.1252 C( 193 VAL* 25) 19.60199900 +0 23.13999900 +0 31.04400100 +0 0.5727 O( 194 VAL* 25) 20.09000000 +0 23.24900100 +0 29.91500100 +0 -0.6418 C( 195 VAL 25) 19.82099900 +0 21.11300100 +0 32.48099900 +0 0.0131 C( 196 VAL 25) 19.14500000 +0 19.84800000 +0 33.00400200 +0 -0.4923 C( 197 VAL 25) 21.18300100 +0 20.78500000 +0 31.87400100 +0 -0.5110 N( 198 TYR* 26) 19.66799900 +0 24.10600100 +0 31.95700100 +0 -0.4251 C( 199 TYR* 26) 20.47600000 +0 25.29200000 +0 31.70200000 +0 -0.0486 C( 200 TYR* 26) 21.94300100 +0 24.95200000 +0 31.85700000 +0 0.5684 O( 201 TYR* 26) 22.34199900 +0 24.33900100 +0 32.84999800 +0 -0.6900 C( 202 TYR 26) 20.05500000 +0 26.45400000 +0 32.60100200 +0 -0.3051 C( 203 TYR 26) 18.66799900 +0 26.90000000 +0 32.23199800 +0 -0.0627 C( 204 TYR 26) 18.43899900 +0 27.56300000 +0 31.02199900 +0 -0.0869 C( 205 TYR 26) 17.57500100 +0 26.60800000 +0 33.04999900 +0 -0.0907 C( 206 TYR 26) 17.16400000 +0 27.94300100 +0 30.64100100 +0 -0.3213 C( 207 TYR 26) 16.29400100 +0 26.98800100 +0 32.68700000 +0 -0.2839 C( 208 TYR 26) 16.09300000 +0 27.65600000 +0 31.47800100 +0 0.3293 O( 209 TYR 26) 14.81600000 +0 28.03100000 +0 31.12100000 +0 -0.4970 N( 210 ILE* 27) 22.72699900 +0 25.34000000 +0 30.85800000 +0 -0.4408 C( 211 ILE* 27) 24.15200000 +0 25.01899900 +0 30.78599900 +0 -0.1113 C( 212 ILE* 27) 25.04800000 +0 26.25000000 +0 30.94599900 +0 0.5764 O( 213 ILE* 27) 26.26899900 +0 26.13299900 +0 31.09100000 +0 -0.6888 C( 214 ILE 27) 24.50700000 +0 24.27100000 +0 29.46699900 +0 -0.0265 C( 215 ILE 27) 24.23500100 +0 25.15300000 +0 28.23399900 +0 -0.2685 C( 216 ILE 27) 23.74900100 +0 22.94500000 +0 29.39200000 +0 -0.4992 C( 217 ILE 27) 24.84900100 +0 24.63600000 +0 26.93400000 +0 -0.4518 N( 218 ALA* 28) 24.43300100 +0 27.43000000 +0 30.89699900 +0 -0.4270 C( 219 ALA* 28) 25.13200000 +0 28.68800000 +0 31.11000100 +0 -0.0326 C( 220 ALA* 28) 24.17700000 +0 29.69500000 +0 31.71500000 +0 0.5572 O( 221 ALA* 28) 23.00499900 +0 29.76199900 +0 31.33600000 +0 -0.6116 C( 222 ALA 28) 25.71200000 +0 29.21699900 +0 29.80600000 +0 -0.5093 N( 223 VAL* 29) 24.68800000 +0 30.45500000 +0 32.67599900 +0 -0.4152 C( 224 VAL* 29) 23.91099900 +0 31.44599900 +0 33.40599800 +0 -0.1113 C( 225 VAL* 29) 24.79900000 +0 32.66099900 +0 33.60400000 +0 0.5685 O( 226 VAL* 29) 25.90600000 +0 32.54499800 +0 34.13100100 +0 -0.6719 C( 227 VAL 29) 23.47300000 +0 30.92700000 +0 34.80699900 +0 0.0033 C( 228 VAL 29) 22.55800100 +0 31.93800000 +0 35.50600100 +0 -0.5190 C( 229 VAL 29) 22.79500000 +0 29.55600000 +0 34.71099900 +0 -0.5062 N( 230 SER* 30) 24.32099900 +0 33.82300200 +0 33.17300000 +0 -0.4026 C( 231 SER* 30) 25.03200000 +0 35.07400100 +0 33.41700000 +0 -0.1504 C( 232 SER* 30) 24.05999900 +0 36.11999900 +0 33.93000000 +0 0.5446 O( 233 SER* 30) 22.90200000 +0 36.14699900 +0 33.51900100 +0 -0.6330 C( 234 SER 30) 25.73100100 +0 35.55400100 +0 32.15100100 +0 0.0003 O( 235 SER 30) 26.64200000 +0 34.57500100 +0 31.69800000 +0 -0.5533 N( 236 GLY* 31) 24.52599900 +0 36.95999900 +0 34.84800000 +0 -0.4066 C( 237 GLY* 31) 23.68899900 +0 38.01699800 +0 35.41199900 +0 -0.2598 C( 238 GLY* 31) 22.77899900 +0 37.57799900 +0 36.54299900 +0 0.5743 O( 239 GLY* 31) 22.37400100 +0 38.39600000 +0 37.37799800 +0 -0.5654 N( 240 SER* 32) 22.45500000 +0 36.28900100 +0 36.56499900 +0 -0.4198 C( 241 SER* 32) 21.64800100 +0 35.68199900 +0 37.61600100 +0 -0.1457 C( 242 SER* 32) 22.49700000 +0 34.70000100 +0 38.40499900 +0 0.5366 O( 243 SER* 32) 23.61100000 +0 34.36399800 +0 37.99700200 +0 -0.5480 C( 244 SER 32) 20.44599900 +0 34.95200000 +0 37.01300000 +0 -0.0137 O( 245 SER 32) 19.38400100 +0 35.84800000 +0 36.76900100 +0 -0.5772 N( 246 SER* 33) 21.96200000 +0 34.24300000 +0 39.53300100 +0 -0.4375 C( 247 SER* 33) 22.64900000 +0 33.27199900 +0 40.37200200 +0 -0.1250 C( 248 SER* 33) 22.66500100 +0 31.90700000 +0 39.68899900 +0 0.5735 O( 249 SER* 33) 21.61700100 +0 31.38800000 +0 39.29399900 +0 -0.6269 C( 250 SER 33) 21.98000000 +0 33.18800000 +0 41.74499900 +0 -0.0236 O( 251 SER 33) 22.38900000 +0 32.03400000 +0 42.45600100 +0 -0.5414 N( 252 LYS* 34) 23.86500000 +0 31.34499900 +0 39.55400100 +0 -0.4453 C( 253 LYS* 34) 24.05699900 +0 30.00600100 +0 38.98899800 +0 -0.0571 C( 254 LYS* 34) 23.29500000 +0 28.93899900 +0 39.77500200 +0 0.5423 O( 255 LYS* 34) 22.80999900 +0 27.96200000 +0 39.20100000 +0 -0.6132 C( 256 LYS 34) 25.54700100 +0 29.66400000 +0 38.90399900 +0 -0.3036 C( 257 LYS 34) 26.27700000 +0 30.38699900 +0 37.78300100 +0 -0.2636 C( 258 LYS 34) 27.78000100 +0 30.39699900 +0 38.00299800 +0 -0.2572 C( 259 LYS 34) 28.53500000 +0 30.86000100 +0 36.76200100 +0 -0.1455 N( 260 LYS 34) 28.08099900 +0 32.18100000 +0 36.23199800 +0 -0.5633 N( 261 LYS* 35) 23.17900100 +0 29.14300000 +0 41.08599900 +0 -0.4365 C( 262 LYS* 35) 22.38500000 +0 28.27899900 +0 41.95999900 +0 -0.0546 C( 263 LYS* 35) 20.91799900 +0 28.20200000 +0 41.55899800 +0 0.5650 O( 264 LYS* 35) 20.27300100 +0 27.16700000 +0 41.74000200 +0 -0.5995 C( 265 LYS 35) 22.46600000 +0 28.76899900 +0 43.40700100 +0 -0.3040 C( 266 LYS 35) 23.58900100 +0 28.16700000 +0 44.21400100 +0 -0.2527 C( 267 LYS 35) 23.56399900 +0 28.67200100 +0 45.65000200 +0 -0.2760 C( 268 LYS 35) 22.42000000 +0 28.06200000 +0 46.45700100 +0 -0.1370 N( 269 LYS 35) 22.52100000 +0 28.38800000 +0 47.91099900 +0 -0.5256 N( 270 ASP* 36) 20.38900000 +0 29.30800100 +0 41.04000100 +0 -0.4550 C( 271 ASP* 36) 18.98000000 +0 29.37999900 +0 40.68800000 +0 -0.0151 C( 272 ASP* 36) 18.66300000 +0 28.66400000 +0 39.38299900 +0 0.5610 O( 273 ASP* 36) 17.53100000 +0 28.22800100 +0 39.18600100 +0 -0.6129 C( 274 ASP 36) 18.51400000 +0 30.83900100 +0 40.60699800 +0 -0.4162 C( 275 ASP 36) 18.54299900 +0 31.54200000 +0 41.95500200 +0 0.6339 O( 276 ASP 36) 18.41300000 +0 30.85899900 +0 42.99700200 +0 -0.5684 O( 277 ASP 36) 18.68800000 +0 32.78300100 +0 41.96600000 +0 -0.4715 N( 278 TYR* 37) 19.65600000 +0 28.54200000 +0 38.49800100 +0 -0.4132 C( 279 TYR* 37) 19.38999900 +0 28.04299900 +0 37.13999900 +0 -0.0676 C( 280 TYR* 37) 20.28000100 +0 26.93400000 +0 36.58700200 +0 0.5573 O( 281 TYR* 37) 19.79500000 +0 26.08700000 +0 35.84700000 +0 -0.6352 C( 282 TYR 37) 19.36000100 +0 29.19400000 +0 36.13299900 +0 -0.3124 C( 283 TYR 37) 18.29000100 +0 30.19899900 +0 36.42800100 +0 -0.0711 C( 284 TYR 37) 16.95400000 +0 29.91799900 +0 36.16099900 +0 -0.0328 C( 285 TYR 37) 18.61200000 +0 31.43100000 +0 36.98899800 +0 -0.0660 C( 286 TYR 37) 15.96100000 +0 30.84199900 +0 36.44699900 +0 -0.3356 C( 287 TYR 37) 17.63200000 +0 32.36000100 +0 37.27800000 +0 -0.3798 C( 288 TYR 37) 16.31300000 +0 32.06100100 +0 37.00500100 +0 0.3727 O( 289 TYR 37) 15.34400000 +0 32.98799900 +0 37.29000100 +0 -0.5817 N( 290 LEU* 38) 21.57099900 +0 26.95100000 +0 36.90300000 +0 -0.4330 C( 291 LEU* 38) 22.48300000 +0 26.00400000 +0 36.27199900 +0 -0.0501 C( 292 LEU* 38) 22.08099900 +0 24.58300000 +0 36.63800000 +0 0.5565 O( 293 LEU* 38) 21.84499900 +0 24.29200000 +0 37.80799900 +0 -0.5610 C( 294 LEU 38) 23.93000000 +0 26.27000000 +0 36.68899900 +0 -0.3408 C( 295 LEU 38) 25.01600100 +0 25.55699900 +0 35.88600200 +0 0.0400 C( 296 LEU 38) 25.07900000 +0 26.07600000 +0 34.44699900 +0 -0.5187 C( 297 LEU 38) 26.35400000 +0 25.74900100 +0 36.56100100 +0 -0.5067 N( 298 ASN* 39) 21.98900000 +0 23.71800000 +0 35.62799800 +0 -0.4971 C( 299 ASN* 39) 21.60800000 +0 22.30299900 +0 35.79299900 +0 0.0105 C( 300 ASN* 39) 20.14300000 +0 22.06399900 +0 36.16500100 +0 0.5421 O( 301 ASN* 39) 19.71600000 +0 20.91900100 +0 36.37799800 +0 -0.6998 C( 302 ASN 39) 22.54100000 +0 21.57099900 +0 36.77399800 +0 -0.4580 C( 303 ASN 39) 23.88299900 +0 21.25200100 +0 36.16299800 +0 0.6093 O( 304 ASN 39) 24.92300000 +0 21.40200000 +0 36.80600000 +0 -0.5861 N( 305 ASN 39) 23.87100000 +0 20.80299900 +0 34.91199900 +0 -0.5604 N( 306 LYS* 40) 19.37299900 +0 23.14600000 +0 36.23600000 +0 -0.3681 C( 307 LYS* 40) 17.93899900 +0 23.05100100 +0 36.48500100 +0 -0.0655 C( 308 LYS* 40) 17.22800100 +0 22.64699900 +0 35.20000100 +0 0.5523 O( 309 LYS* 40) 17.65300000 +0 23.03000100 +0 34.10699800 +0 -0.6440 C( 310 LYS 40) 17.38900000 +0 24.38299900 +0 36.99000200 +0 -0.2982 C( 311 LYS 40) 17.91099900 +0 24.82799900 +0 38.35100200 +0 -0.2570 C( 312 LYS 40) 17.27000000 +0 24.07099900 +0 39.50500100 +0 -0.2767 C( 313 LYS 40) 17.64600000 +0 24.69899900 +0 40.84400200 +0 -0.1468 N( 314 LYS 40) 17.01400000 +0 26.02700000 +0 41.08499900 +0 -0.5642 N( 315 SER* 41) 16.15900000 +0 21.86700100 +0 35.33800100 +0 -0.4271 C( 316 SER* 41) 15.39200000 +0 21.40500100 +0 34.18600100 +0 -0.1315 C( 317 SER* 41) 14.61900000 +0 22.55299900 +0 33.54499800 +0 0.5644 O( 318 SER* 41) 13.93800000 +0 23.32200100 +0 34.23400100 +0 -0.6790 C( 319 SER 41) 14.42400000 +0 20.28800000 +0 34.59100000 +0 -0.0108 O( 320 SER 41) 15.11900000 +0 19.11200000 +0 34.95200000 +0 -0.5722 N( 321 ILE* 42) 14.73900000 +0 22.67200100 +0 32.22800100 +0 -0.3791 C( 322 ILE* 42) 14.01600000 +0 23.70500000 +0 31.49099900 +0 -0.1207 C( 323 ILE* 42) 12.51000000 +0 23.46999900 +0 31.58099900 +0 0.5606 O( 324 ILE* 42) 12.05000000 +0 22.33099900 +0 31.70200000 +0 -0.6185 C( 325 ILE 42) 14.49000000 +0 23.80100100 +0 30.01199900 +0 -0.0223 C( 326 ILE 42) 14.12500000 +0 22.53599900 +0 29.21900000 +0 -0.2679 C( 327 ILE 42) 15.98400000 +0 24.09499900 +0 29.95500000 +0 -0.5210 C( 328 ILE 42) 14.39100000 +0 22.66300000 +0 27.71900000 +0 -0.4724 N( 329 SER* 43) 11.74700000 +0 24.55500000 +0 31.52500000 +0 -0.4167 C( 330 SER* 43) 10.30000000 +0 24.47300000 +0 31.64100100 +0 -0.1018 C( 331 SER* 43) 9.64800000 +0 23.92499900 +0 30.38200000 +0 0.5853 O( 332 SER* 43) 10.25200000 +0 23.91900100 +0 29.30800100 +0 -0.6163 C( 333 SER 43) 9.73500000 +0 25.85400000 +0 31.94199900 +0 -0.0111 O( 334 SER 43) 9.95800000 +0 26.71200000 +0 30.83700000 +0 -0.6051 N( 335 GLU* 44) 8.40100000 +0 23.48500100 +0 30.52500000 +0 -0.4653 C( 336 GLU* 44) 7.58800000 +0 23.08900100 +0 29.38100100 +0 -0.0624 C( 337 GLU* 44) 7.48200000 +0 24.22200000 +0 28.36400000 +0 0.5622 O( 338 GLU* 44) 7.45900000 +0 23.96999900 +0 27.16400000 +0 -0.6249 C( 339 GLU 44) 6.19700000 +0 22.63900000 +0 29.82600000 +0 -0.2443 C( 340 GLU 44) 6.21600000 +0 21.38600000 +0 30.68499900 +0 -0.4570 C( 341 GLU 44) 4.98400000 +0 20.50600100 +0 30.50600100 +0 0.6301 O( 342 GLU 44) 3.96300000 +0 20.97699900 +0 29.95299900 +0 -0.4455 O( 343 GLU 44) 5.04200000 +0 19.33000000 +0 30.92200100 +0 -0.4708 N( 344 MET* 45) 7.44200000 +0 25.46400100 +0 28.84700000 +0 -0.4586 C( 345 MET* 45) 7.41800000 +0 26.62900000 +0 27.96100000 +0 -0.0444 C( 346 MET* 45) 8.65500000 +0 26.64399900 +0 27.06500100 +0 0.5776 O( 347 MET* 45) 8.54900000 +0 26.85000000 +0 25.85199900 +0 -0.6747 C( 348 MET 45) 7.30800000 +0 27.93400000 +0 28.76000000 +0 -0.2935 C( 349 MET 45) 7.24000000 +0 29.20100000 +0 27.89900000 +0 -0.2913 S( 350 MET 45) 8.84900000 +0 29.81500100 +0 27.35700000 +0 -0.0853 C( 351 MET 45) 9.47200000 +0 30.53300100 +0 28.87400100 +0 -0.5106 N( 352 LEU* 46) 9.82300000 +0 26.42200100 +0 27.66500100 +0 -0.4148 C( 353 LEU* 46) 11.07700000 +0 26.35400000 +0 26.91700000 +0 -0.0403 C( 354 LEU* 46) 11.06400000 +0 25.21600000 +0 25.91400000 +0 0.5581 O( 355 LEU* 46) 11.48800000 +0 25.38400100 +0 24.76899900 +0 -0.6397 C( 356 LEU 46) 12.28100000 +0 26.19599900 +0 27.86000100 +0 -0.3479 C( 357 LEU 46) 13.20700000 +0 27.39800100 +0 28.07200100 +0 0.0490 C( 358 LEU 46) 13.84300000 +0 27.86700100 +0 26.76300000 +0 -0.5180 C( 359 LEU 46) 12.46100000 +0 28.53300100 +0 28.75000000 +0 -0.5267 N( 360 GLU* 47) 10.57600000 +0 24.05800100 +0 26.35199900 +0 -0.4393 C( 361 GLU* 47) 10.48500000 +0 22.88999900 +0 25.48399900 +0 -0.0630 C( 362 GLU* 47) 9.59400000 +0 23.15099900 +0 24.27300100 +0 0.5696 O( 363 GLU* 47) 9.97400000 +0 22.80500000 +0 23.15600000 +0 -0.6407 C( 364 GLU 47) 10.00100000 +0 21.66600000 +0 26.26400000 +0 -0.2385 C( 365 GLU 47) 11.02300000 +0 21.12299900 +0 27.25700000 +0 -0.4752 C( 366 GLU 47) 10.49000000 +0 19.97300000 +0 28.09900100 +0 0.7072 O( 367 GLU 47) 9.25400000 +0 19.83499900 +0 28.21999900 +0 -0.6057 O( 368 GLU 47) 11.31100000 +0 19.21200000 +0 28.64800100 +0 -0.4909 N( 369 ARG* 48) 8.43200000 +0 23.77100000 +0 24.50000000 +0 -0.4590 C( 370 ARG* 48) 8.08300000 +0 25.13900000 +0 22.47900000 +0 0.5444 O( 371 ARG* 48) 7.96100000 +0 25.02599900 +0 21.25600100 +0 -0.6471 C( 372 ARG* 48) 7.49000000 +0 24.10100000 +0 23.42300000 +0 -0.0392 C( 373 ARG 48) 6.16300000 +0 24.62500000 +0 23.98300000 +0 -0.2926 C( 374 ARG 48) 5.40900000 +0 23.65500100 +0 24.87800000 +0 -0.3187 C( 375 ARG 48) 4.01200000 +0 24.17200100 +0 25.17900100 +0 -0.1002 N( 376 ARG 48) 3.63000000 +0 23.95400000 +0 26.57500100 +0 -0.5111 C( 377 ARG 48) 3.05500000 +0 22.85000000 +0 27.04500000 +0 0.4927 N( 378 ARG 48) 2.78200000 +0 21.83000000 +0 26.23900000 +0 -0.5107 N( 379 ARG 48) 2.75000000 +0 22.76899900 +0 28.33300000 +0 -0.6725 N( 380 THR* 49) 8.72600000 +0 26.15399900 +0 23.05200000 +0 -0.4132 C( 381 THR* 49) 9.35500000 +0 27.20599900 +0 22.25900100 +0 -0.1573 C( 382 THR* 49) 10.41700000 +0 26.60800000 +0 21.33600000 +0 0.5665 O( 383 THR* 49) 10.45800000 +0 26.91799900 +0 20.14300000 +0 -0.6447 C( 384 THR 49) 9.96200000 +0 28.30200000 +0 23.15900000 +0 0.2303 O( 385 THR 49) 8.94500000 +0 28.81200000 +0 24.02899900 +0 -0.5966 C( 386 THR 49) 10.52400000 +0 29.44400000 +0 22.32099900 +0 -0.5388 N( 387 MET* 50) 11.25300000 +0 25.73300000 +0 21.88699900 +0 -0.4410 C( 388 MET* 50) 12.28600000 +0 25.05400100 +0 21.11100000 +0 -0.0536 C( 389 MET* 50) 11.68300000 +0 24.19199900 +0 20.00400000 +0 0.5463 O( 390 MET* 50) 12.14100000 +0 24.24200100 +0 18.86000100 +0 -0.6240 C( 391 MET 50) 13.17300000 +0 24.20999900 +0 22.02100000 +0 -0.2960 C( 392 MET 50) 14.17600000 +0 25.02599900 +0 22.82200100 +0 -0.2863 S( 393 MET 50) 14.88800000 +0 24.10600100 +0 24.19700100 +0 -0.0337 C( 394 MET 50) 15.66200000 +0 22.74600000 +0 23.33499900 +0 -0.5070 N( 395 ASP* 51) 10.65600000 +0 23.41600000 +0 20.35300100 +0 -0.4455 C( 396 ASP* 51) 9.93400000 +0 22.57399900 +0 19.39200000 +0 -0.0087 C( 397 ASP* 51) 9.33000000 +0 23.37299900 +0 18.23900000 +0 0.5435 O( 398 ASP* 51) 9.31600000 +0 22.90700000 +0 17.09700000 +0 -0.6026 C( 399 ASP 51) 8.83400000 +0 21.77100000 +0 20.09499900 +0 -0.4130 C( 400 ASP 51) 9.37700000 +0 20.58300000 +0 20.87100000 +0 0.6503 O( 401 ASP 51) 10.52500000 +0 20.15800100 +0 20.60899900 +0 -0.5832 O( 402 ASP 51) 8.64700000 +0 20.06500100 +0 21.74300000 +0 -0.4653 N( 403 GLN* 52) 8.84100000 +0 24.57200100 +0 18.54299900 +0 -0.4505 C( 404 GLN* 52) 8.21200000 +0 25.43000000 +0 17.54000100 +0 -0.0542 C( 405 GLN* 52) 9.24100000 +0 26.23900000 +0 16.74000000 +0 0.5541 O( 406 GLN* 52) 8.89100000 +0 26.90200000 +0 15.75500000 +0 -0.6215 C( 407 GLN 52) 7.15000000 +0 26.32300000 +0 18.18800000 +0 -0.2489 C( 408 GLN 52) 5.91400000 +0 25.54600000 +0 18.65300000 +0 -0.4021 C( 409 GLN 52) 5.03900000 +0 26.31900000 +0 19.62700100 +0 0.6190 O( 410 GLN 52) 4.83300000 +0 27.52599900 +0 19.48399900 +0 -0.5924 N( 411 GLN 52) 4.50600000 +0 25.61700100 +0 20.62100000 +0 -0.5513 N( 412 ARG* 53) 10.50100000 +0 26.17499900 +0 17.18199900 +0 -0.4399 C( 413 ARG* 53) 11.67700000 +0 26.69599900 +0 16.45700100 +0 -0.0429 C( 414 ARG* 53) 11.78800000 +0 28.22600000 +0 16.33600000 +0 0.5472 O( 415 ARG* 53) 12.89500000 +0 28.76199900 +0 16.23600000 +0 -0.6186 C( 416 ARG 53) 11.83100000 +0 26.01199900 +0 15.08700000 +0 -0.2870 C( 417 ARG 53) 12.27800000 +0 24.55100100 +0 15.17700000 +0 -0.3174 C( 418 ARG 53) 11.90600000 +0 23.77000000 +0 13.91900000 +0 -0.0803 N( 419 ARG 53) 12.47100000 +0 22.41799900 +0 13.90500000 +0 -0.5366 C( 420 ARG 53) 11.93900000 +0 21.35899900 +0 14.51700000 +0 0.5301 N( 421 ARG 53) 10.81700000 +0 21.47100100 +0 15.22000000 +0 -0.5346 N( 422 ARG 53) 12.53800000 +0 20.17799900 +0 14.43100000 +0 -0.7511 N( 423 SER* 54) 10.65100000 +0 28.91600000 +0 16.36000100 +0 -0.4076 C( 424 SER* 54) 10.61400000 +0 30.37500000 +0 16.24600000 +0 -0.1259 C( 425 SER* 54) 11.08900000 +0 31.04900000 +0 17.53200000 +0 0.5762 O( 426 SER* 54) 10.92000000 +0 30.51000000 +0 18.62700100 +0 -0.6228 C( 427 SER 54) 9.19500000 +0 30.84600100 +0 15.91700000 +0 -0.0192 O( 428 SER 54) 8.80500000 +0 30.44100000 +0 14.61600000 +0 -0.5383 N( 429 SER* 55) 11.68000000 +0 32.23000000 +0 17.39500000 +0 -0.4178 C( 430 SER* 55) 12.00800000 +0 33.03799800 +0 18.55800100 +0 -0.0972 C( 431 SER* 55) 10.72700000 +0 33.61600100 +0 19.13699900 +0 0.5617 O( 432 SER* 55) 9.72300000 +0 33.76900100 +0 18.42900100 +0 -0.6022 C( 433 SER 55) 12.98500000 +0 34.15599800 +0 18.19199900 +0 -0.0291 O( 434 SER 55) 12.42600000 +0 35.02600100 +0 17.22600000 +0 -0.5711 N( 435 VAL* 56) 10.75300000 +0 33.91999800 +0 20.42900100 +0 -0.4151 C( 436 VAL* 56) 9.60800000 +0 34.53799800 +0 21.08300000 +0 -0.1243 C( 437 VAL* 56) 10.01600000 +0 35.75199900 +0 21.90500100 +0 0.5660 O( 438 VAL* 56) 11.14000000 +0 35.83100100 +0 22.41200100 +0 -0.6079 C( 439 VAL 56) 8.78700000 +0 33.53599900 +0 21.95500000 +0 0.0134 C( 440 VAL 56) 8.20500000 +0 32.41400100 +0 21.09900100 +0 -0.5046 C( 441 VAL 56) 9.62000000 +0 32.96699900 +0 23.08700000 +0 -0.5080 N( 442 LEU* 57) 9.09200000 +0 36.69699900 +0 22.01400000 +0 -0.4363 C( 443 LEU* 57) 9.28000000 +0 37.89400100 +0 22.81200000 +0 -0.0510 C( 444 LEU* 57) 8.01600000 +0 38.15100100 +0 23.61300100 +0 0.5576 O( 445 LEU* 57) 6.93200000 +0 38.30400100 +0 23.04800000 +0 -0.6499 C( 446 LEU 57) 9.60500000 +0 39.09299900 +0 21.91500100 +0 -0.3557 C( 447 LEU 57) 9.71900000 +0 40.48300200 +0 22.54700100 +0 0.0485 C( 448 LEU 57) 10.83800000 +0 40.56200000 +0 23.58700000 +0 -0.5185 C( 449 LEU 57) 9.93000000 +0 41.51599900 +0 21.45400000 +0 -0.5106 N( 450 GLU* 58) 8.16000000 +0 38.17900100 +0 24.93199900 +0 -0.4362 C( 451 GLU* 58) 7.05300000 +0 38.49200100 +0 25.82300000 +0 -0.0739 C( 452 GLU* 58) 7.39400000 +0 39.77100000 +0 26.56300000 +0 0.5715 O( 453 GLU* 58) 8.24000000 +0 39.76400000 +0 27.45000100 +0 -0.6508 C( 454 GLU 58) 6.80900000 +0 37.34500100 +0 26.80299900 +0 -0.2318 C( 455 GLU 58) 6.26500000 +0 36.08100100 +0 26.15900000 +0 -0.4633 C( 456 GLU 58) 4.79300000 +0 36.18299900 +0 25.78000100 +0 0.6560 O( 457 GLU 58) 4.05700000 +0 37.00000000 +0 26.38200000 +0 -0.5174 O( 458 GLU 58) 4.37500000 +0 35.43299900 +0 24.87299900 +0 -0.4726 N( 459 SER* 59) 6.74700000 +0 40.86999900 +0 26.17700000 +0 -0.4513 C( 460 SER* 59) 7.05500000 +0 42.19300100 +0 26.72400100 +0 -0.1330 C( 461 SER* 59) 6.36300000 +0 42.48500100 +0 28.05699900 +0 0.5664 O( 462 SER* 59) 6.79600000 +0 43.36899900 +0 28.80400100 +0 -0.5936 C( 463 SER 59) 6.72600000 +0 43.28699900 +0 25.70200000 +0 -0.0094 O( 464 SER 59) 5.39100000 +0 43.17599900 +0 25.24399900 +0 -0.5501 N( 465 ASP* 60) 5.29500000 +0 41.74300000 +0 28.34499900 +0 -0.4272 C( 466 ASP* 60) 4.56500000 +0 41.86299900 +0 29.60899900 +0 -0.0304 C( 467 ASP* 60) 4.17100000 +0 40.46799900 +0 30.10600100 +0 0.5310 O( 468 ASP* 60) 3.00800000 +0 40.06100100 +0 30.02100000 +0 -0.5592 C( 469 ASP 60) 3.33600000 +0 42.77199900 +0 29.44300100 +0 -0.4164 C( 470 ASP 60) 2.70000000 +0 43.16299800 +0 30.77300100 +0 0.7038 O( 471 ASP 60) 3.43500000 +0 43.45600100 +0 31.74500100 +0 -0.6913 O( 472 ASP 60) 1.45000000 +0 43.19400000 +0 30.83799900 +0 -0.4856 N( 473 ALA* 61) 5.16200000 +0 39.74399900 +0 30.62000100 +0 -0.4569 C( 474 ALA* 61) 4.99500000 +0 38.34299900 +0 31.01100000 +0 0.0002 C( 475 ALA* 61) 4.22400000 +0 38.15700100 +0 32.31800100 +0 0.5471 O( 476 ALA* 61) 3.43500000 +0 37.21300100 +0 32.44300100 +0 -0.5960 C( 477 ALA 61) 6.35400000 +0 37.65300000 +0 31.09199900 +0 -0.5108 N( 478 LYS* 62) 4.46200000 +0 39.05500000 +0 33.27700000 +0 -0.4364 C( 479 LYS* 62) 3.92100000 +0 38.98400100 +0 34.64899800 +0 -0.0254 C( 480 LYS* 62) 4.54300000 +0 37.83300000 +0 35.43600100 +0 0.5630 O( 481 LYS* 62) 5.11500000 +0 38.03599900 +0 36.50999800 +0 -0.6749 C( 482 LYS 62) 2.38700000 +0 38.89400100 +0 34.66600000 +0 -0.3072 C( 483 LYS 62) 1.68200000 +0 40.00500100 +0 33.90700100 +0 -0.2392 C( 484 LYS 62) 0.17600000 +0 39.81600200 +0 33.92800100 +0 -0.2972 C( 485 LYS 62) -0.50400000 +0 40.64099900 +0 32.84400200 +0 -0.1453 N( 486 LYS 62) -0.23400000 +0 42.10500000 +0 32.97200000 +0 -0.5395 N( 487 SER* 63) 4.42000000 +0 36.62799800 +0 34.88700100 +0 -0.4422 C( 488 SER* 63) 5.01600000 +0 35.43600100 +0 35.47000100 +0 -0.1421 C( 489 SER* 63) 5.46300000 +0 34.48899800 +0 34.36399800 +0 0.5548 O( 490 SER* 63) 4.85600000 +0 34.43700000 +0 33.29200000 +0 -0.5752 C( 491 SER 63) 4.02600000 +0 34.73899800 +0 36.40599800 +0 0.0021 O( 492 SER 63) 4.65600000 +0 33.68899900 +0 37.11600100 +0 -0.6086 N( 493 VAL* 64) 6.53500000 +0 33.74800100 +0 34.63000100 +0 -0.4422 C( 494 VAL* 64) 7.05200000 +0 32.77800000 +0 33.67100100 +0 -0.1043 C( 495 VAL* 64) 7.67800000 +0 31.60500000 +0 34.40900000 +0 0.5934 O( 496 VAL* 64) 8.19300000 +0 31.76300000 +0 35.51599900 +0 -0.6522 C( 497 VAL 64) 8.10000000 +0 33.41199900 +0 32.70200000 +0 0.0129 C( 498 VAL 64) 9.39700000 +0 33.74499900 +0 33.42400000 +0 -0.5090 C( 499 VAL 64) 8.38400000 +0 32.48799900 +0 31.53400000 +0 -0.5250 N( 500 GLN* 65) 7.61900000 +0 30.43400000 +0 33.78799800 +0 -0.4229 C( 501 GLN* 65) 8.44100000 +0 29.31699900 +0 34.21300100 +0 -0.0724 C( 502 GLN* 65) 9.63500000 +0 29.20900000 +0 33.28300100 +0 0.5435 O( 503 GLN* 65) 9.47500000 +0 28.97800100 +0 32.07799900 +0 -0.6527 C( 504 GLN 65) 7.65300000 +0 28.01499900 +0 34.19900100 +0 -0.2423 C( 505 GLN 65) 6.52900000 +0 27.96200000 +0 35.21200200 +0 -0.4123 C( 506 GLN 65) 5.92100000 +0 26.57900000 +0 35.33000200 +0 0.6230 O( 507 GLN 65) 6.35400000 +0 25.62900000 +0 34.66999800 +0 -0.7022 N( 508 GLN 65) 4.90000000 +0 26.45900000 +0 36.17300000 +0 -0.5287 N( 509 LEU* 66) 10.82200000 +0 29.40099900 +0 33.84700000 +0 -0.4473 C( 510 LEU* 66) 12.07600000 +0 29.14500000 +0 33.14300200 +0 -0.0497 C( 511 LEU* 66) 12.58000000 +0 27.76700000 +0 33.54600100 +0 0.5444 O( 512 LEU* 66) 13.02800000 +0 26.98300000 +0 32.70700100 +0 -0.6024 C( 513 LEU 66) 13.11200000 +0 30.21800000 +0 33.47100100 +0 -0.3439 C( 514 LEU 66) 12.73800000 +0 31.64300000 +0 33.04999900 +0 0.0404 C( 515 LEU 66) 13.77900000 +0 32.63000100 +0 33.54399900 +0 -0.5162 C( 516 LEU 66) 12.54500000 +0 31.75099900 +0 31.53599900 +0 -0.5073 N( 517 VAL* 67) 12.47600000 +0 27.48600000 +0 34.84000000 +0 -0.4501 C( 518 VAL* 67) 12.73600000 +0 26.15800100 +0 35.39199800 +0 -0.1024 C( 519 VAL* 67) 11.37700000 +0 25.49200100 +0 35.51900100 +0 0.5655 O( 520 VAL* 67) 10.42600000 +0 26.11400000 +0 35.99399900 +0 -0.6591 C( 521 VAL 67) 13.42400000 +0 26.25400000 +0 36.77600100 +0 0.0166 C( 522 VAL 67) 13.60400000 +0 24.86500000 +0 37.41000000 +0 -0.5168 C( 523 VAL 67) 14.76600000 +0 26.95599900 +0 36.64400100 +0 -0.5016 N( 524 ASN* 68) 11.27300000 +0 24.23700000 +0 35.08800100 +0 -0.4462 C( 525 ASN* 68) 9.97000000 +0 23.57600000 +0 35.05300100 +0 -0.0222 C( 526 ASN* 68) 9.26100000 +0 23.57799900 +0 36.39600000 +0 0.5534 O( 527 ASN* 68) 9.85900000 +0 23.26300000 +0 37.42400000 +0 -0.6195 C( 528 ASN 68) 10.06400000 +0 22.15099900 +0 34.50899900 +0 -0.4784 C( 529 ASN 68) 8.74900000 +0 21.67700000 +0 33.91899900 +0 0.6373 O( 530 ASN 68) 8.00200000 +0 22.46400100 +0 33.32700000 +0 -0.6740 N( 531 ASN 68) 8.45800000 +0 20.39100100 +0 34.07099900 +0 -0.4939 N( 532 GLY* 69) 7.98900000 +0 23.95800000 +0 36.36899900 +0 -0.4118 C( 533 GLY* 69) 7.17000000 +0 24.03200000 +0 37.57799900 +0 -0.2424 C( 534 GLY* 69) 7.42700000 +0 25.23900000 +0 38.46600000 +0 0.5720 O( 535 GLY* 69) 6.68100000 +0 25.47800100 +0 39.41899900 +0 -0.6527 N( 536 ILE* 70) 8.47300000 +0 26.00600100 +0 38.16899900 +0 -0.4073 C( 537 ILE* 70) 8.83000000 +0 27.14500000 +0 39.01100200 +0 -0.1115 C( 538 ILE* 70) 8.26000000 +0 28.44400000 +0 38.44800200 +0 0.5583 O( 539 ILE* 70) 8.82700000 +0 29.04400100 +0 37.52999900 +0 -0.6200 C( 540 ILE 70) 10.36800000 +0 27.26300000 +0 39.23300200 +0 -0.0254 C( 541 ILE 70) 10.93900000 +0 25.96999900 +0 39.83800100 +0 -0.2654 C( 542 ILE 70) 10.70500000 +0 28.48200000 +0 40.10300100 +0 -0.5090 C( 543 ILE 70) 10.42200000 +0 25.63999900 +0 41.23300200 +0 -0.4495 N( 544 ASP* 71) 7.12900000 +0 28.86700100 +0 39.00299800 +0 -0.4269 C( 545 ASP* 71) 6.55600000 +0 30.16200100 +0 38.66500100 +0 -0.0143 C( 546 ASP* 71) 7.44900000 +0 31.26800000 +0 39.20200000 +0 0.5451 O( 547 ASP* 71) 7.75700000 +0 31.31300000 +0 40.39600000 +0 -0.6363 C( 548 ASP 71) 5.14000000 +0 30.30200000 +0 39.23000000 +0 -0.5120 C( 549 ASP 71) 4.14700000 +0 29.37800000 +0 38.55099900 +0 0.6846 O( 550 ASP 71) 4.19500000 +0 29.23700000 +0 37.30799900 +0 -0.5561 O( 551 ASP 71) 3.30200000 +0 28.79400100 +0 39.26499900 +0 -0.4405 N( 552 GLU* 72) 7.87800000 +0 32.13999900 +0 38.29900000 +0 -0.4130 C( 553 GLU* 72) 8.72000000 +0 33.26499900 +0 38.64600000 +0 -0.0574 C( 554 GLU* 72) 8.06400000 +0 34.54700100 +0 38.19200100 +0 0.5583 O( 555 GLU* 72) 7.64700000 +0 34.65499900 +0 37.03799800 +0 -0.6163 C( 556 GLU 72) 10.07200000 +0 33.14899800 +0 37.95399900 +0 -0.2801 C( 557 GLU 72) 11.06500000 +0 32.27999900 +0 38.66000000 +0 -0.3791 C( 558 GLU 72) 12.43100000 +0 32.40800100 +0 38.04299900 +0 0.6672 O( 559 GLU 72) 13.02700000 +0 33.50199900 +0 38.15700100 +0 -0.6181 O( 560 GLU 72) 12.90600000 +0 31.42400000 +0 37.44200100 +0 -0.4963 N( 561 ASP* 73) 7.97100000 +0 35.51200100 +0 39.10300100 +0 -0.4400 C( 562 ASP* 73) 7.58600000 +0 36.86600100 +0 38.73799900 +0 -0.0075 C( 563 ASP* 73) 8.59600000 +0 37.36700100 +0 37.71099900 +0 0.5542 O( 564 ASP* 73) 9.80900000 +0 37.23799900 +0 37.90100100 +0 -0.6371 C( 565 ASP 73) 7.57400000 +0 37.78300100 +0 39.96300100 +0 -0.5040 C( 566 ASP 73) 6.45100000 +0 37.45900000 +0 40.93399800 +0 0.6865 O( 567 ASP 73) 5.52700000 +0 36.69300100 +0 40.57700000 +0 -0.5484 O( 568 ASP 73) 6.49600000 +0 37.98899800 +0 42.06600200 +0 -0.4567 N( 569 MET* 74) 8.08500000 +0 37.91099900 +0 36.61299900 +0 -0.4160 C( 570 MET* 74) 8.92500000 +0 38.31200000 +0 35.49499900 +0 -0.0532 C( 571 MET* 74) 8.27700000 +0 39.45800000 +0 34.74800100 +0 0.5529 O( 572 MET* 74) 7.10300000 +0 39.37699900 +0 34.39699900 +0 -0.5878 C( 573 MET 74) 9.10900000 +0 37.13499800 +0 34.53300100 +0 -0.2982 C( 574 MET 74) 10.28200000 +0 37.28599900 +0 33.58100100 +0 -0.2831 S( 575 MET 74) 11.81500000 +0 37.49499900 +0 34.48199800 +0 -0.1223 C( 576 MET 74) 12.00400000 +0 35.87500000 +0 35.23799900 +0 -0.4937 N( 577 ASN* 75) 9.04300000 +0 40.51400000 +0 34.48799900 +0 -0.4535 C( 578 ASN* 75) 8.52900000 +0 41.60500000 +0 33.67100100 +0 -0.0189 C( 579 ASN* 75) 8.42200000 +0 41.16400100 +0 32.22200000 +0 0.5600 O( 580 ASN* 75) 7.36700000 +0 41.27399800 +0 31.60899900 +0 -0.6270 C( 581 ASN 75) 9.38800000 +0 42.86700100 +0 33.79100000 +0 -0.4757 C( 582 ASN 75) 8.67800000 +0 44.11200000 +0 33.25999800 +0 0.6366 O( 583 ASN 75) 9.21600000 +0 44.83700200 +0 32.42400000 +0 -0.6561 N( 584 ASN 75) 7.46400000 +0 44.35699800 +0 33.74399900 +0 -0.5388 N( 585 SER* 76) 9.51700000 +0 40.63299900 +0 31.68499900 +0 -0.4300 C( 586 SER* 76) 9.54700000 +0 40.21799900 +0 30.29200000 +0 -0.1295 C( 587 SER* 76) 10.68800000 +0 39.25700000 +0 30.02700000 +0 0.5751 O( 588 SER* 76) 11.62500000 +0 39.14799900 +0 30.82300000 +0 -0.6515 C( 589 SER 76) 9.68100000 +0 41.43199900 +0 29.36599900 +0 -0.0201 O( 590 SER 76) 10.79600000 +0 42.20299900 +0 29.71999900 +0 -0.6051 N( 591 TYR* 77) 10.60400000 +0 38.56900000 +0 28.89600000 +0 -0.4332 C( 592 TYR* 77) 11.65500000 +0 37.65100100 +0 28.49099900 +0 -0.0555 C( 593 TYR* 77) 11.61100000 +0 37.43000000 +0 26.99600000 +0 0.5640 O( 594 TYR* 77) 10.60300000 +0 37.69300100 +0 26.33700000 +0 -0.6526 C( 595 TYR 77) 11.53100000 +0 36.30899800 +0 29.23600000 +0 -0.3009 C( 596 TYR 77) 10.31600000 +0 35.49399900 +0 28.85600100 +0 -0.0597 C( 597 TYR 77) 10.38200000 +0 34.54499800 +0 27.83600000 +0 -0.0718 C( 598 TYR 77) 9.10000000 +0 35.66500100 +0 29.51899900 +0 -0.0825 C( 599 TYR 77) 9.27200000 +0 33.80199800 +0 27.47300000 +0 -0.3517 C( 600 TYR 77) 7.98400000 +0 34.91899900 +0 29.16600000 +0 -0.2999 C( 601 TYR 77) 8.07900000 +0 33.98400100 +0 28.14800100 +0 0.3375 O( 602 TYR 77) 6.97500000 +0 33.23899800 +0 27.78900000 +0 -0.5091 N( 603 THR* 78) 12.71300000 +0 36.92499900 +0 26.46600000 +0 -0.4079 C( 604 THR* 78) 12.78000000 +0 36.56900000 +0 25.06800100 +0 -0.1893 C( 605 THR* 78) 13.58500000 +0 35.27800000 +0 24.92400000 +0 0.5738 O( 606 THR* 78) 14.51500000 +0 35.02700000 +0 25.70500000 +0 -0.6617 C( 607 THR 78) 13.32300000 +0 37.74100100 +0 24.21500000 +0 0.2320 O( 608 THR 78) 13.27500000 +0 37.38600200 +0 22.83099900 +0 -0.5367 C( 609 THR 78) 14.74600000 +0 38.13299900 +0 24.62100000 +0 -0.5818 N( 610 VAL* 79) 13.20300000 +0 34.45000100 +0 23.95599900 +0 -0.4172 C( 611 VAL* 79) 13.82100000 +0 33.14199800 +0 23.76600100 +0 -0.1323 C( 612 VAL* 79) 14.17600000 +0 32.91799900 +0 22.30500000 +0 0.5654 O( 613 VAL* 79) 13.34600000 +0 33.12400100 +0 21.42400000 +0 -0.6572 C( 614 VAL 79) 12.91200000 +0 31.96600000 +0 24.25200100 +0 0.0152 C( 615 VAL 79) 13.63300000 +0 30.62400100 +0 24.12200000 +0 -0.5210 C( 616 VAL 79) 12.44700000 +0 32.18100000 +0 25.68800000 +0 -0.5045 N( 617 GLY* 80) 15.40800000 +0 32.47900000 +0 22.07600000 +0 -0.4109 C( 618 GLY* 80) 15.87800000 +0 32.12500000 +0 20.74600000 +0 -0.2661 C( 619 GLY* 80) 16.28800000 +0 30.66900100 +0 20.71500000 +0 0.5760 O( 620 GLY* 80) 17.35199900 +0 30.32099900 +0 21.21299900 +0 -0.6547 N( 621 PRO* 81) 15.42800000 +0 29.79600000 +0 20.16400000 +0 -0.3206 C( 622 PRO* 81) 15.80500000 +0 28.39300000 +0 20.00400000 +0 -0.0629 C( 623 PRO* 81) 17.05999900 +0 28.22100100 +0 19.15800100 +0 0.5618 O( 624 PRO* 81) 17.22100100 +0 28.89900000 +0 18.13900000 +0 -0.6321 C( 625 PRO 81) 14.59300000 +0 27.78700100 +0 19.28400000 +0 -0.2820 C( 626 PRO 81) 13.46300000 +0 28.64300000 +0 19.69199900 +0 -0.2817 C( 627 PRO 81) 14.04300000 +0 30.03800000 +0 19.72600000 +0 -0.0879 N( 628 ILE* 82) 17.94100000 +0 27.32900000 +0 19.60199900 +0 -0.4502 C( 629 ILE* 82) 19.13900000 +0 26.97400100 +0 18.85899900 +0 -0.0935 C( 630 ILE* 82) 18.78200000 +0 25.76899900 +0 18.00499900 +0 0.5687 O( 631 ILE* 82) 18.52599900 +0 24.68300100 +0 18.52700000 +0 -0.6505 C( 632 ILE 82) 20.31800100 +0 26.62800000 +0 19.79700100 +0 -0.0339 C( 633 ILE 82) 20.58900100 +0 27.78100000 +0 20.77300100 +0 -0.2564 C( 634 ILE 82) 21.56900000 +0 26.30999900 +0 18.99099900 +0 -0.5099 C( 635 ILE 82) 21.57700000 +0 27.44199900 +0 21.88400100 +0 -0.4631 N( 636 VAL* 83) 18.73800100 +0 25.97900000 +0 16.69500000 +0 -0.4378 C( 637 VAL* 83) 18.30699900 +0 24.94199900 +0 15.76200000 +0 -0.1204 C( 638 VAL* 83) 19.45299900 +0 24.60500000 +0 14.80800000 +0 0.5793 O( 639 VAL* 83) 19.86400000 +0 25.43400000 +0 13.99500000 +0 -0.7063 C( 640 VAL 83) 17.02100000 +0 25.36000100 +0 14.99100000 +0 0.0114 C( 641 VAL 83) 16.57900000 +0 24.26300000 +0 14.02500000 +0 -0.5027 C( 642 VAL 83) 15.89000000 +0 25.69300100 +0 15.96200000 +0 -0.5093 N( 643 ALA* 84) 19.97800100 +0 23.38900000 +0 14.93900000 +0 -0.4227 C( 644 ALA* 84) 21.07600000 +0 22.92100000 +0 14.10100000 +0 -0.0290 C( 645 ALA* 84) 20.61100000 +0 21.76300000 +0 13.22800000 +0 0.5422 O( 646 ALA* 84) 20.12599900 +0 20.74600000 +0 13.73500000 +0 -0.5934 C( 647 ALA 84) 22.26600100 +0 22.51000000 +0 14.95500000 +0 -0.4886 N( 648 ASN* 85) 20.75900100 +0 21.93100000 +0 11.91400000 +0 -0.4737 C( 649 ASN* 85) 20.29500000 +0 20.94700100 +0 10.92900000 +0 0.0051 C( 650 ASN* 85) 18.80699900 +0 20.60800000 +0 11.10100000 +0 0.5296 O( 651 ASN* 85) 18.40800100 +0 19.44000100 +0 11.02300000 +0 -0.5532 C( 652 ASN 85) 21.16000000 +0 19.67499900 +0 10.97300000 +0 -0.4485 C( 653 ASN 85) 22.64900000 +0 19.96900000 +0 10.84500000 +0 0.6110 O( 654 ASN 85) 23.07799900 +0 20.71299900 +0 9.95900000 +0 -0.5931 N( 655 ASN 85) 23.44400000 +0 19.37700100 +0 11.73000000 +0 -0.5414 N( 656 GLY* 86) 17.99700000 +0 21.63600000 +0 11.35100000 +0 -0.4406 C( 657 GLY* 86) 16.55200000 +0 21.47300000 +0 11.52700000 +0 -0.2471 C( 658 GLY* 86) 16.11200000 +0 20.95100000 +0 12.88700000 +0 0.5753 O( 659 GLY* 86) 14.91200000 +0 20.87299900 +0 13.16400000 +0 -0.6147 N( 660 ASP* 87) 17.08099900 +0 20.61100000 +0 13.73600000 +0 -0.4334 C( 661 ASP* 87) 16.81800100 +0 20.02199900 +0 15.04900000 +0 -0.0135 C( 662 ASP* 87) 17.10199900 +0 21.02899900 +0 16.17300000 +0 0.5397 O( 663 ASP* 87) 18.20500000 +0 21.57399900 +0 16.24300000 +0 -0.6718 C( 664 ASP 87) 17.68499900 +0 18.76899900 +0 15.22700000 +0 -0.4151 C( 665 ASP 87) 17.36700100 +0 17.99799900 +0 16.50000000 +0 0.6540 O( 666 ASP 87) 16.17200100 +0 17.83000000 +0 16.83400000 +0 -0.6059 O( 667 ASP 87) 18.32600000 +0 17.54200000 +0 17.16000000 +0 -0.4731 N( 668 PRO* 88) 16.10800000 +0 21.27800000 +0 17.05200000 +0 -0.3089 C( 669 PRO* 88) 16.34800000 +0 22.12000100 +0 18.22800100 +0 -0.0606 C( 670 PRO* 88) 17.28599900 +0 21.42100000 +0 19.20100000 +0 0.5644 O( 671 PRO* 88) 17.03599900 +0 20.27800000 +0 19.59600100 +0 -0.6121 C( 672 PRO 88) 14.95400000 +0 22.28100000 +0 18.85100000 +0 -0.2690 C( 673 PRO 88) 13.99300000 +0 21.85000000 +0 17.78900000 +0 -0.2780 C( 674 PRO 88) 14.71300000 +0 20.81399900 +0 16.99700000 +0 -0.1095 N( 675 ILE* 89) 18.37000100 +0 22.09800000 +0 19.55999900 +0 -0.4604 C( 676 ILE* 89) 19.39399900 +0 21.51499900 +0 20.41900100 +0 -0.1039 C( 677 ILE* 89) 19.58300000 +0 22.32700000 +0 21.70200000 +0 0.5498 O( 678 ILE* 89) 20.37100000 +0 21.95800000 +0 22.57600000 +0 -0.7058 C( 679 ILE 89) 20.75000000 +0 21.35300100 +0 19.67900100 +0 -0.0224 C( 680 ILE 89) 21.28100000 +0 22.70800000 +0 19.19700100 +0 -0.2737 C( 681 ILE 89) 20.61300100 +0 20.37599900 +0 18.50799900 +0 -0.5166 C( 682 ILE 89) 22.76100000 +0 22.70500000 +0 18.85100000 +0 -0.4552 N( 683 GLY* 90) 18.86000100 +0 23.43800000 +0 21.79500000 +0 -0.3682 C( 684 GLY* 90) 18.94000100 +0 24.31399900 +0 22.95400000 +0 -0.2936 C( 685 GLY* 90) 18.20599900 +0 25.62100000 +0 22.74399900 +0 0.6084 O( 686 GLY* 90) 17.40500100 +0 25.75900100 +0 21.82200100 +0 -0.6851 N( 687 ALA* 91) 18.46800000 +0 26.58600000 +0 23.62100000 +0 -0.4086 C( 688 ALA* 91) 17.86100000 +0 27.90900000 +0 23.50700000 +0 -0.0131 C( 689 ALA* 91) 18.67200100 +0 28.93800000 +0 24.26499900 +0 0.5778 O( 690 ALA* 91) 19.41700000 +0 28.60700000 +0 25.19100000 +0 -0.6348 C( 691 ALA 91) 16.42100000 +0 27.90099900 +0 24.01199900 +0 -0.5227 N( 692 VAL* 92) 18.53800000 +0 30.18400000 +0 23.83099900 +0 -0.4440 C( 693 VAL* 92) 19.13200000 +0 31.31699900 +0 24.51100000 +0 -0.1017 C( 694 VAL* 92) 17.97400100 +0 32.14099900 +0 25.05500000 +0 0.5711 O( 695 VAL* 92) 17.01600100 +0 32.43600100 +0 24.33000000 +0 -0.6805 C( 696 VAL 92) 19.98500100 +0 32.16799900 +0 23.54900000 +0 0.0029 C( 697 VAL 92) 20.61000100 +0 33.35100200 +0 24.28200000 +0 -0.5130 C( 698 VAL 92) 21.07500100 +0 31.32300000 +0 22.88999900 +0 -0.4985 N( 699 VAL* 93) 18.04600000 +0 32.48199800 +0 26.33799900 +0 -0.4152 C( 700 VAL* 93) 16.98399900 +0 33.21400100 +0 27.00600100 +0 -0.1223 C( 701 VAL* 93) 17.56600000 +0 34.47800100 +0 27.60199900 +0 0.5712 O( 702 VAL* 93) 18.62599900 +0 34.44200100 +0 28.22800100 +0 -0.6581 C( 703 VAL 93) 16.36100000 +0 32.39500000 +0 28.15000000 +0 0.0066 C( 704 VAL 93) 15.21500000 +0 33.16000000 +0 28.81300000 +0 -0.5155 C( 705 VAL 93) 15.89200000 +0 31.03500000 +0 27.65300000 +0 -0.5055 N( 706 ILE* 94) 16.88900000 +0 35.60300100 +0 27.38600000 +0 -0.4292 C( 707 ILE* 94) 17.22800100 +0 36.83800100 +0 28.08099900 +0 -0.1243 C( 708 ILE* 94) 15.97400000 +0 37.29600100 +0 28.78200000 +0 0.5828 O( 709 ILE* 94) 14.89800000 +0 37.26599900 +0 28.19800000 +0 -0.6799 C( 710 ILE 94) 17.77199900 +0 37.92800100 +0 27.12599900 +0 -0.0228 C( 711 ILE 94) 19.04100000 +0 37.42800100 +0 26.42100000 +0 -0.2580 C( 712 ILE 94) 18.10199900 +0 39.19800200 +0 27.90000000 +0 -0.5173 C( 713 ILE 94) 19.61100000 +0 38.34800000 +0 25.34300000 +0 -0.4680 N( 714 PHE* 95) 16.10100000 +0 37.68000000 +0 30.04800000 +0 -0.4189 C( 715 PHE* 95) 14.92400000 +0 38.02399800 +0 30.83799900 +0 -0.0413 C( 716 PHE* 95) 15.22300000 +0 39.11800000 +0 31.84400000 +0 0.5762 O( 717 PHE* 95) 16.38800000 +0 39.41700000 +0 32.13100100 +0 -0.6475 C( 718 PHE 95) 14.33500000 +0 36.78200100 +0 31.53000100 +0 -0.3347 C( 719 PHE 95) 15.18700000 +0 36.22300000 +0 32.64799900 +0 0.0555 C( 720 PHE 95) 15.08100000 +0 36.72399900 +0 33.94699900 +0 -0.1990 C( 721 PHE 95) 16.07399900 +0 35.18000000 +0 32.40900000 +0 -0.1901 C( 722 PHE 95) 15.85500000 +0 36.20000100 +0 34.98799900 +0 -0.1305 C( 723 PHE 95) 16.85500000 +0 34.65300000 +0 33.44200100 +0 -0.1394 C( 724 PHE 95) 16.74000000 +0 35.15800100 +0 34.73000000 +0 -0.1629 N( 725 SER* 96) 14.15600000 +0 39.70700100 +0 32.38200000 +0 -0.4225 C( 726 SER* 96) 14.28900000 +0 40.75199900 +0 33.38499800 +0 -0.1330 C( 727 SER* 96) 13.07500000 +0 40.78699900 +0 34.28200100 +0 0.5957 O( 728 SER* 96) 11.94000000 +0 40.65900000 +0 33.82300200 +0 -0.6291 C( 729 SER 96) 14.46800000 +0 42.12300100 +0 32.73500100 +0 -0.0203 O( 730 SER 96) 14.71600000 +0 43.10500000 +0 33.72399900 +0 -0.6339 N( 731 LYS* 97) 13.33700000 +0 40.97499800 +0 35.56700100 +0 -0.4457 C( 732 LYS* 97) 12.27100000 +0 41.09600100 +0 36.54399900 +0 -0.0571 C( 733 LYS* 97) 11.67800000 +0 42.50199900 +0 36.55500000 +0 0.5385 O( 734 LYS* 97) 10.54200000 +0 42.68700000 +0 36.99200100 +0 -0.6023 C( 735 LYS 97) 12.77900000 +0 40.72499800 +0 37.93700000 +0 -0.3022 C( 736 LYS 97) 13.14800000 +0 39.25700000 +0 38.08800100 +0 -0.2343 C( 737 LYS 97) 12.70800000 +0 38.72600200 +0 39.43999900 +0 -0.3150 C( 738 LYS 97) 13.07100000 +0 37.25400200 +0 39.62500000 +0 -0.1382 N( 739 LYS 97) 12.38100000 +0 36.33200100 +0 38.67100100 +0 -0.5418 N( 740 ASP* 98) 12.43700000 +0 43.48099900 +0 36.06200000 +0 -0.4385 C( 741 ASP* 98) 12.02300000 +0 44.88600200 +0 36.15499900 +0 -0.0320 C( 742 ASP* 98) 12.09300000 +0 45.69500000 +0 34.85500000 +0 0.5588 O( 743 ASP* 98) 11.46800000 +0 46.75600100 +0 34.75199900 +0 -0.6378 C( 744 ASP 98) 12.77800000 +0 45.60699800 +0 37.28799800 +0 -0.4047 C( 745 ASP 98) 14.28900000 +0 45.68600100 +0 37.05799900 +0 0.6344 O( 746 ASP 98) 14.82900000 +0 45.01300000 +0 36.15300000 +0 -0.6103 O( 747 ASP 98) 14.95300000 +0 46.43600100 +0 37.80500000 +0 -0.4534 N( 748 GLN* 99) 12.85200000 +0 45.20900000 +0 33.87599900 +0 -0.3949 C( 749 GLN* 99) 12.98700000 +0 45.91899900 +0 32.60300100 +0 -0.0696 C( 750 GLN* 99) 12.24500000 +0 45.19900100 +0 31.49200100 +0 0.5678 O( 751 GLN* 99) 11.91500000 +0 44.01900100 +0 31.61800000 +0 -0.6021 C( 752 GLN 99) 14.45900000 +0 46.13600200 +0 32.23899800 +0 -0.2616 C( 753 GLN 99) 15.17400000 +0 47.08499900 +0 33.18500100 +0 -0.4247 C( 754 GLN 99) 16.59900100 +0 47.38100100 +0 32.77600100 +0 0.6015 O( 755 GLN 99) 17.53599900 +0 47.10400000 +0 33.52800000 +0 -0.5607 N( 756 GLN 99) 16.77800000 +0 47.93700000 +0 31.58099900 +0 -0.5624 N( 757 THR*100) 11.96600000 +0 45.92400000 +0 30.41300000 +0 -0.4117 C( 758 THR*100) 11.22000000 +0 45.38499800 +0 29.29100000 +0 -0.1722 C( 759 THR*100) 12.16600000 +0 44.94300100 +0 28.18199900 +0 0.5699 O( 760 THR*100) 12.96600000 +0 45.73199800 +0 27.68899900 +0 -0.6757 C( 761 THR 100) 10.21300000 +0 46.41899900 +0 28.73600000 +0 0.2321 O( 762 THR 100) 9.37600000 +0 46.88100100 +0 29.80299900 +0 -0.5723 C( 763 THR 100) 9.34800000 +0 45.79900000 +0 27.64800100 +0 -0.5906 N( 764 MET*101) 12.07300000 +0 43.66899900 +0 27.81600000 +0 -0.4228 C( 765 MET*101) 12.81000000 +0 43.13800000 +0 26.68100000 +0 -0.0470 C( 766 MET*101) 12.16300000 +0 43.67800100 +0 25.42300000 +0 0.5440 O( 767 MET*101) 10.93700000 +0 43.70500200 +0 25.30500000 +0 -0.6542 C( 768 MET 101) 12.80200000 +0 41.60400000 +0 26.69100000 +0 -0.2781 C( 769 MET 101) 13.34500000 +0 40.98400100 +0 27.98200000 +0 -0.2907 S( 770 MET 101) 15.08100000 +0 41.33300000 +0 28.32399900 +0 -0.1076 C( 771 MET 101) 15.00200000 +0 42.88200000 +0 29.21699900 +0 -0.5116 N( 772 GLY*102) 13.00000000 +0 44.14500000 +0 24.50799900 +0 -0.3792 C( 773 GLY*102) 12.53300000 +0 44.66600000 +0 23.23100100 +0 -0.2659 C( 774 GLY*102) 13.25300000 +0 43.99300000 +0 22.08200100 +0 0.5908 O( 775 GLY*102) 13.82900000 +0 42.91400100 +0 22.23300000 +0 -0.6333 N( 776 GLU*103) 13.22400000 +0 44.63600200 +0 20.92200100 +0 -0.4426 C( 777 GLU*103) 13.84900000 +0 44.06000100 +0 19.73200000 +0 -0.0712 C( 778 GLU*103) 15.36400000 +0 43.85800200 +0 19.88400100 +0 0.5563 O( 779 GLU*103) 15.93100000 +0 42.92800100 +0 19.31200000 +0 -0.6321 C( 780 GLU 103) 13.52500000 +0 44.88999900 +0 18.49000000 +0 -0.2325 C( 781 GLU 103) 13.86200000 +0 44.18700000 +0 17.18000000 +0 -0.4616 C( 782 GLU 103) 13.02700000 +0 42.93600100 +0 16.89500000 +0 0.6794 O( 783 GLU 103) 12.20800000 +0 42.50799900 +0 17.74099900 +0 -0.5684 O( 784 GLU 103) 13.18800000 +0 42.37900200 +0 15.78800000 +0 -0.5096 N( 785 VAL*104) 16.00700000 +0 44.72200000 +0 20.65900000 +0 -0.4388 C( 786 VAL*104) 17.43100000 +0 44.56300000 +0 20.94800000 +0 -0.0975 C( 787 VAL*104) 17.71800000 +0 43.15499900 +0 21.48200000 +0 0.5821 O( 788 VAL*104) 18.56699900 +0 42.44100200 +0 20.94700100 +0 -0.6353 C( 789 VAL 104) 17.91400000 +0 45.61500200 +0 21.96699900 +0 0.0008 C( 790 VAL 104) 19.31600000 +0 45.28099800 +0 22.48800100 +0 -0.5096 C( 791 VAL 104) 17.88100100 +0 47.00700000 +0 21.33900100 +0 -0.5164 N( 792 GLU*105) 17.00700000 +0 42.77100000 +0 22.53800000 +0 -0.4619 C( 793 GLU*105) 17.20299900 +0 41.47399900 +0 23.17700000 +0 -0.0562 C( 794 GLU*105) 16.63699900 +0 40.33900100 +0 22.33400000 +0 0.5377 O( 795 GLU*105) 17.20200000 +0 39.23899800 +0 22.29500000 +0 -0.6495 C( 796 GLU 105) 16.55999900 +0 41.46699900 +0 24.56300000 +0 -0.2494 C( 797 GLU 105) 17.21500000 +0 42.41799900 +0 25.55800100 +0 -0.4558 C( 798 GLU 105) 16.75400000 +0 43.86200000 +0 25.41200100 +0 0.7603 O( 799 GLU 105) 15.78500000 +0 44.13100100 +0 24.66300000 +0 -0.6805 O( 800 GLU 105) 17.36000100 +0 44.73199800 +0 26.05400100 +0 -0.5833 N( 801 HIS*106) 15.51200000 +0 40.60699800 +0 21.66799900 +0 -0.4318 C( 802 HIS*106) 14.86100000 +0 39.63000100 +0 20.80699900 +0 -0.0472 C( 803 HIS*106) 15.80100000 +0 39.22000100 +0 19.67600100 +0 0.5726 O( 804 HIS*106) 16.00200100 +0 38.03400000 +0 19.41600000 +0 -0.6260 C( 805 HIS 106) 13.55100000 +0 40.23199800 +0 20.28300100 +0 -0.2681 C( 806 HIS 106) 12.78300000 +0 39.35900100 +0 19.34000000 +0 0.0633 N( 807 HIS 106) 12.61100000 +0 38.00400200 +0 19.52400000 +0 -0.3567 C( 808 HIS 106) 12.10300000 +0 39.67300000 +0 18.21299900 +0 -0.2707 C( 809 HIS 106) 11.86400000 +0 37.52100000 +0 18.54600000 +0 -0.0383 N( 810 HIS 106) 11.54700000 +0 38.51300000 +0 17.73500100 +0 -0.1398 N( 811 LYS*107) 16.40399900 +0 40.20399900 +0 19.02500000 +0 -0.4625 C( 812 LYS*107) 17.37200000 +0 39.89600000 +0 17.98100100 +0 -0.0508 C( 813 LYS*107) 18.65900000 +0 39.31600200 +0 18.54400100 +0 0.5670 O( 814 LYS*107) 19.28100000 +0 38.47300000 +0 17.90900000 +0 -0.6647 C( 815 LYS 107) 17.64500000 +0 41.11299900 +0 17.09900100 +0 -0.2904 C( 816 LYS 107) 16.44199900 +0 41.51499900 +0 16.23399900 +0 -0.2426 C( 817 LYS 107) 15.81200000 +0 40.33000200 +0 15.51600000 +0 -0.3060 C( 818 LYS 107) 16.62200000 +0 39.89099900 +0 14.33100000 +0 -0.1341 N( 819 LYS 107) 15.79500000 +0 39.05799900 +0 13.40000000 +0 -0.5737 N( 820 ALA*108) 19.03500000 +0 39.74800100 +0 19.74399900 +0 -0.4371 C( 821 ALA*108) 20.22400100 +0 39.20800000 +0 20.40500100 +0 -0.0003 C( 822 ALA*108) 20.10600100 +0 37.70000100 +0 20.60400000 +0 0.5522 O( 823 ALA*108) 21.06100100 +0 36.96900200 +0 20.34000000 +0 -0.6974 C( 824 ALA 108) 20.47900000 +0 39.90000200 +0 21.72900000 +0 -0.5194 N( 825 VAL*109) 18.94199900 +0 37.22700100 +0 21.04500000 +0 -0.3940 C( 826 VAL*109) 18.79700100 +0 35.77999900 +0 21.24399900 +0 -0.1186 C( 827 VAL*109) 18.79600000 +0 35.02100000 +0 19.92400000 +0 0.5651 O( 828 VAL*109) 19.31100100 +0 33.90599800 +0 19.86000100 +0 -0.6404 C( 829 VAL 109) 17.59000000 +0 35.36399800 +0 22.14100100 +0 0.0183 C( 830 VAL 109) 17.75900100 +0 35.88499800 +0 23.56399900 +0 -0.5106 C( 831 VAL 109) 16.25799900 +0 35.81100100 +0 21.54700100 +0 -0.5157 N( 832 GLU*110) 18.23100100 +0 35.62599900 +0 18.87400100 +0 -0.4366 C( 833 GLU*110) 19.66900100 +0 34.93399800 +0 17.02100000 +0 0.5590 O( 834 GLU*110) 20.09700000 +0 33.89799900 +0 16.52100000 +0 -0.6700 C( 835 GLU*110) 18.24300000 +0 35.00000000 +0 17.55800100 +0 -0.0607 C( 836 GLU 110) 17.32900000 +0 35.73500100 +0 16.57900000 +0 -0.2461 C( 837 GLU 110) 17.23300000 +0 35.04100000 +0 15.22700000 +0 -0.4658 C( 838 GLU 110) 16.45200000 +0 35.82700000 +0 14.19800000 +0 0.6926 O( 839 GLU 110) 15.61700000 +0 36.66999800 +0 14.58700000 +0 -0.5982 O( 840 GLU 110) 16.67100000 +0 35.59000000 +0 12.98900000 +0 -0.4772 N( 841 THR*111) 20.40200000 +0 36.03500000 +0 17.15099900 +0 -0.4195 C( 842 THR*111) 21.79000100 +0 36.07300200 +0 16.71500000 +0 -0.1627 C( 843 THR*111) 22.62999900 +0 35.05099900 +0 17.47300000 +0 0.5711 O( 844 THR*111) 23.39600000 +0 34.29299900 +0 16.86599900 +0 -0.6333 C( 845 THR 111) 22.38500000 +0 37.47399900 +0 16.90000000 +0 0.2247 O( 846 THR 111) 21.65200000 +0 38.40000200 +0 16.09499900 +0 -0.5648 C( 847 THR 111) 23.84000000 +0 37.48799900 +0 16.46999900 +0 -0.5732 N( 848 ALA*112) 22.48200000 +0 35.04700100 +0 18.79600000 +0 -0.4634 C( 849 ALA*112) 23.18800000 +0 34.10599900 +0 19.66000000 +0 -0.0022 C( 850 ALA*112) 22.86800000 +0 32.67499900 +0 19.26400000 +0 0.5481 O( 851 ALA*112) 23.77800000 +0 31.86100000 +0 19.10300100 +0 -0.6417 C( 852 ALA 112) 22.82200100 +0 34.34899900 +0 21.11200000 +0 -0.5121 N( 853 ALA*113) 21.57900000 +0 32.38000100 +0 19.10100000 +0 -0.4519 C( 854 ALA*113) 21.14500000 +0 31.03100000 +0 18.73200000 +0 0.0030 C( 855 ALA*113) 21.73300000 +0 30.60400000 +0 17.38900000 +0 0.5492 O( 856 ALA*113) 22.16700000 +0 29.46100000 +0 17.23600000 +0 -0.6482 C( 857 ALA 113) 19.63699900 +0 30.93600100 +0 18.70900000 +0 -0.5291 N( 858 GLY*114) 21.74900100 +0 31.52599900 +0 16.42799900 +0 -0.4221 C( 859 GLY*114) 22.28599900 +0 31.24900100 +0 15.09400000 +0 -0.2480 C( 860 GLY*114) 23.76800000 +0 30.94500000 +0 15.12100000 +0 0.5664 O( 861 GLY*114) 24.23399900 +0 30.00799900 +0 14.46000000 +0 -0.5954 N( 862 PHE*115) 24.51000000 +0 31.72200000 +0 15.90200000 +0 -0.4488 C( 863 PHE*115) 25.94199900 +0 31.51700000 +0 16.04200000 +0 -0.0311 C( 864 PHE*115) 26.26899900 +0 30.21800000 +0 16.77899900 +0 0.5490 O( 865 PHE*115) 27.15200000 +0 29.46299900 +0 16.36100000 +0 -0.5745 C( 866 PHE 115) 26.58499900 +0 32.70399900 +0 16.75099900 +0 -0.3455 C( 867 PHE 115) 28.05200000 +0 32.54200000 +0 16.97100100 +0 0.0748 C( 868 PHE 115) 28.95000100 +0 32.68500100 +0 15.91700000 +0 -0.1870 C( 869 PHE 115) 28.54100000 +0 32.24200100 +0 18.23000000 +0 -0.2139 C( 870 PHE 115) 30.31200000 +0 32.53200100 +0 16.12200000 +0 -0.1071 C( 871 PHE 115) 29.89699900 +0 32.08900100 +0 18.43800000 +0 -0.1239 C( 872 PHE 115) 30.78599900 +0 32.23799900 +0 17.38600000 +0 -0.1733 N( 873 LEU*116) 25.54900000 +0 29.95999900 +0 17.86700100 +0 -0.4729 C( 874 LEU*116) 25.78100000 +0 28.75900100 +0 18.67200100 +0 -0.0333 C( 875 LEU*116) 25.39699900 +0 27.48200000 +0 17.93300100 +0 0.5477 O( 876 LEU*116) 25.99399900 +0 26.42900100 +0 18.17400000 +0 -0.6193 C( 877 LEU 116) 25.05600000 +0 28.85100000 +0 20.01600100 +0 -0.3357 C( 878 LEU 116) 25.55600000 +0 29.92400000 +0 20.99300000 +0 0.0364 C( 879 LEU 116) 24.61400000 +0 30.04600000 +0 22.17300000 +0 -0.5086 C( 880 LEU 116) 26.99000000 +0 29.65500100 +0 21.46500000 +0 -0.5076 N( 881 ALA*117) 24.41300000 +0 27.57799900 +0 17.03800000 +0 -0.4459 C( 882 ALA*117) 23.99900100 +0 26.44700100 +0 16.20299900 +0 -0.0269 C( 883 ALA*117) 25.08799900 +0 26.08499900 +0 15.19800000 +0 0.3904 O( 884 ALA*117) 25.41799900 +0 24.91000000 +0 15.03100000 +0 -0.5148 C( 885 ALA 117) 22.70700100 +0 26.76199900 +0 15.48100000 +0 -0.5108 O( 886 HOH 118) 27.95999900 +0 25.35199900 +0 29.09400000 +0 -0.6753 O( 887 HOH 119) 29.56800100 +0 25.39300000 +0 25.26600100 +0 -0.6612 O( 888 HOH 120) 33.07799900 +0 36.57600000 +0 27.23100100 +0 -0.6690 O( 889 HOH 121) 33.75799900 +0 35.07500100 +0 29.55900000 +0 -0.6887 O( 890 HOH 122) 30.03599900 +0 42.10599900 +0 25.67600100 +0 -0.6782 O( 891 HOH 123) 32.16000000 +0 41.36999900 +0 27.16500100 +0 -0.6753 O( 892 HOH 124) 19.83300000 +0 46.13299900 +0 27.02400000 +0 -0.6975 O( 893 HOH 125) 21.84499900 +0 40.64500000 +0 28.78300100 +0 -0.6974 O( 894 HOH 126) 24.74300000 +0 20.01800000 +0 26.58000000 +0 -0.5898 O( 895 HOH 127) 23.45900000 +0 18.83600000 +0 29.98300000 +0 -0.6768 O( 896 HOH 128) 21.09400000 +0 18.75000000 +0 23.88699900 +0 -0.7092 O( 897 HOH 129) 14.01200000 +0 19.47100100 +0 24.75700000 +0 -0.6804 O( 898 HOH 130) 21.35300100 +0 17.21500000 +0 27.05500000 +0 -0.5832 O( 899 HOH 131) 16.23900000 +0 14.61200000 +0 29.76899900 +0 -0.6541 O( 900 HOH 132) 14.77800000 +0 18.61200000 +0 31.61899900 +0 -0.6791 O( 901 HOH 133) 28.41500100 +0 27.25200100 +0 32.23400100 +0 -0.6840 O( 902 HOH 134) 22.02300100 +0 17.25799900 +0 31.93899900 +0 -0.6780 O( 903 HOH 135) 14.72000000 +0 18.36000100 +0 21.92900100 +0 -0.6568 O( 904 HOH 136) 27.32099900 +0 29.35800000 +0 34.15100100 +0 -0.6521 O( 905 HOH 137) 27.29100000 +0 36.75999800 +0 35.81000100 +0 -0.6472 O( 906 HOH 138) 26.03700100 +0 33.89799900 +0 36.86500200 +0 -0.6872 O( 907 HOH 139) 17.66200100 +0 35.71099900 +0 38.74800100 +0 -0.6969 O( 908 HOH 140) 26.50099900 +0 32.84700000 +0 40.55300100 +0 -0.6587 O( 909 HOH 141) 25.20000100 +0 30.73300000 +0 42.64400100 +0 -0.6605 O( 910 HOH 142) 18.66200100 +0 26.09900100 +0 43.74900100 +0 -0.6401 O( 911 HOH 143) 14.66900000 +0 28.60400000 +0 40.04999900 +0 -0.6706 O( 912 HOH 144) 15.17400000 +0 35.14400100 +0 38.37200200 +0 -0.6367 O( 913 HOH 145) 24.52400000 +0 22.43000000 +0 32.84400200 +0 -0.6547 O( 914 HOH 146) 22.54500000 +0 18.40700000 +0 34.30899800 +0 -0.7025 O( 915 HOH 147) 17.92799900 +0 19.87700100 +0 38.13600200 +0 -0.6672 O( 916 HOH 148) 20.61300100 +0 18.26499900 +0 35.99200100 +0 -0.6434 O( 917 HOH 149) 14.25700000 +0 25.52500000 +0 41.43299900 +0 -0.6925 O( 918 HOH 150) 16.27899900 +0 18.11500000 +0 37.09899900 +0 -0.6659 O( 919 HOH 151) 14.82100000 +0 21.69000100 +0 37.91199900 +0 -0.6811 O( 920 HOH 152) 12.39500000 +0 19.68300100 +0 31.18199900 +0 -0.6870 O( 921 HOH 153) 3.59600000 +0 30.84800000 +0 33.39899800 +0 -0.6665 O( 922 HOH 154) 10.66900000 +0 38.49200100 +0 42.11399800 +0 -0.6469 O( 923 HOH 155) 13.79200000 +0 18.37999900 +0 28.29800000 +0 -0.6357 O( 924 HOH 156) 6.45900000 +0 29.65200000 +0 19.61100000 +0 -0.6981 O( 925 HOH 157) 9.92900000 +0 40.90599800 +0 40.83200100 +0 -0.6647 O( 926 HOH 158) 9.29100000 +0 45.21099900 +0 21.48200000 +0 -0.6955 O( 927 HOH 159) 14.00000000 +0 25.12000100 +0 11.53800000 +0 -0.6339 O( 928 HOH 160) 9.03000000 +0 28.85600100 +0 19.16000000 +0 -0.7252 O( 929 HOH 161) 23.60700000 +0 40.32000000 +0 19.33300000 +0 -0.6873 O( 930 HOH 162) 13.65700000 +0 32.83400000 +0 14.55500000 +0 -0.6656 O( 931 HOH 163) 11.17100000 +0 33.81100100 +0 14.79900000 +0 -0.6643 O( 932 HOH 164) 4.40200000 +0 38.15000200 +0 22.28500000 +0 -0.6515 O( 933 HOH 165) 26.98700000 +0 22.00900100 +0 18.94000100 +0 -0.6395 O( 934 HOH 166) 4.46900000 +0 40.80799900 +0 24.45100000 +0 -0.6659 O( 935 HOH 167) 5.01900000 +0 41.70800000 +0 33.01300000 +0 -0.6835 O( 936 HOH 168) 6.23300000 +0 40.91600000 +0 37.49900100 +0 -0.6801 O( 937 HOH 169) 4.86500000 +0 34.22800100 +0 39.61000100 +0 -0.6524 O( 938 HOH 170) 6.22600000 +0 25.94899900 +0 31.71800000 +0 -0.6762 O( 939 HOH 171) 5.69200000 +0 30.07000000 +0 31.42300000 +0 -0.6496 O( 940 HOH 172) 5.44400000 +0 22.33400000 +0 34.11399800 +0 -0.6478 O( 941 HOH 173) 12.03700000 +0 21.84000000 +0 38.23000000 +0 -0.6766 O( 942 HOH 174) 4.08000000 +0 25.23100100 +0 39.69400000 +0 -0.6613 O( 943 HOH 175) 4.80500000 +0 31.26000000 +0 35.68899900 +0 -0.6881 O( 944 HOH 176) 10.29600000 +0 31.65200000 +0 42.31800100 +0 -0.6599 O( 945 HOH 177) 11.33400000 +0 29.43899900 +0 36.56100100 +0 -0.7023 O( 946 HOH 178) 9.13800000 +0 35.28799800 +0 41.90300000 +0 -0.6575 O( 947 HOH 179) 5.49500000 +0 45.76800200 +0 32.33700200 +0 -0.6532 O( 948 HOH 180) 6.81200000 +0 32.31499900 +0 25.07500100 +0 -0.6548 O( 949 HOH 181) 16.42100000 +0 31.58099900 +0 17.39399900 +0 -0.6982 O( 950 HOH 182) 19.29999900 +0 28.61700100 +0 15.60200000 +0 -0.6286 O( 951 HOH 183) 21.17000000 +0 26.83799900 +0 11.98600000 +0 -0.6623 O( 952 HOH 184) 22.37500000 +0 24.33300000 +0 11.25000000 +0 -0.6706 O( 953 HOH 185) 18.54200000 +0 24.65399900 +0 11.19600000 +0 -0.6626 O( 954 HOH 186) 22.95200000 +0 20.43600100 +0 22.86800000 +0 -0.6690 O( 955 HOH 187) 17.76000000 +0 40.72499800 +0 34.05600000 +0 -0.6887 O( 956 HOH 188) 17.39500000 +0 43.48000000 +0 33.68199900 +0 -0.6876 O( 957 HOH 189) 16.23000000 +0 40.51699800 +0 36.51800200 +0 -0.6483 O( 958 HOH 190) 8.94200000 +0 40.73500100 +0 38.11899900 +0 -0.6901 O( 959 HOH 191) 8.73800000 +0 46.68600100 +0 35.99399900 +0 -0.6542 O( 960 HOH 192) 9.28700000 +0 47.86500200 +0 33.06900000 +0 -0.6623 O( 961 HOH 193) 19.13600000 +0 46.05099900 +0 37.20399900 +0 -0.6481 O( 962 HOH 194) 18.29600000 +0 47.89099900 +0 28.87299900 +0 -0.6439 O( 963 HOH 195) 12.91600000 +0 47.87599900 +0 25.87200000 +0 -0.6485 O( 964 HOH 196) 7.16700000 +0 48.68500100 +0 29.35400000 +0 -0.6523 O( 965 HOH 197) 14.59400000 +0 45.91999800 +0 26.07099900 +0 -0.6966 O( 966 HOH 198) 8.92800000 +0 44.87400100 +0 24.06500100 +0 -0.6679 O( 967 HOH 199) 14.22500000 +0 43.72700100 +0 13.67700000 +0 -0.6502 O( 968 HOH 200) 11.83800000 +0 47.55400100 +0 20.91099900 +0 -0.6649 O( 969 HOH 201) 14.72800000 +0 47.31200000 +0 21.87299900 +0 -0.7010 O( 970 HOH 202) 20.85500000 +0 43.07300200 +0 19.33400000 +0 -0.6807 O( 971 HOH 203) 15.52400000 +0 47.12799800 +0 24.37800000 +0 -0.6712 O( 972 HOH 204) 17.31600000 +0 48.00400200 +0 25.91700000 +0 -0.6820 O( 973 HOH 205) 17.74900100 +0 46.29499800 +0 27.40600000 +0 -0.6508 O( 974 HOH 206) 13.49600000 +0 39.60300100 +0 11.99000000 +0 -0.6792 O( 975 HOH 207) 15.97500000 +0 42.29900000 +0 12.18100000 +0 -0.6547 O( 976 HOH 208) 23.60400000 +0 37.86299900 +0 20.49300000 +0 -0.6982 O( 977 HOH 209) 18.46100000 +0 32.02899900 +0 15.38600000 +0 -0.6913 O( 978 HOH 210) 19.08300000 +0 33.88299900 +0 12.48000000 +0 -0.6466 O( 979 HOH 211) 12.33500000 +0 37.70100000 +0 14.28700000 +0 -0.6437 O( 980 HOH 212) 21.60899900 +0 40.79499800 +0 17.54700100 +0 -0.6984 O( 981 HOH 213) 24.75499900 +0 25.35600100 +0 22.58000000 +0 -0.6412 O( 982 HOH 214) 26.67400000 +0 22.01499900 +0 13.68400000 +0 -0.6478 O( 983 HOH 215) 27.94899900 +0 23.77300100 +0 15.87000000 +0 -0.6593 H( 984 ASP* 1) 34.84457157 +1 27.84031424 +1 28.04269918 +1 0.2283 H( 985 ASP* 1) 34.85355250 +1 26.27914175 +1 28.58042793 +1 0.2276 H( 986 ASP* 1) 32.66182686 +1 25.87241633 +1 27.56334276 +1 0.1688 H( 987 ASP 1) 33.12013368 +1 26.55955044 +1 30.05390086 +1 0.1815 H( 988 ASP 1) 32.55032646 +1 28.18258545 +1 29.60852121 +1 0.2102 H( 989 ASP 1) 31.21364200 +1 26.47434474 +1 31.46985532 +1 0.3763 H( 990 PHE* 2) 31.88268702 +1 26.49355516 +1 25.62537124 +1 0.3023 H( 991 PHE* 2) 32.34558163 +1 29.17457932 +1 24.52904029 +1 0.2028 H( 992 PHE 2) 32.24723650 +1 26.73096874 +1 23.42417401 +1 0.1728 H( 993 PHE 2) 30.50266015 +1 26.90251416 +1 23.46360247 +1 0.1721 H( 994 PHE 2) 33.66791745 +1 28.50917457 +1 22.26706627 +1 0.1494 H( 995 PHE 2) 29.41211035 +1 28.21245306 +1 21.77977932 +1 0.1526 H( 996 PHE 2) 33.82399461 +1 29.77100892 +1 20.16003017 +1 0.1481 H( 997 PHE 2) 29.56628086 +1 29.46846457 +1 19.65912070 +1 0.1586 H( 998 PHE 2) 31.78251276 +1 30.23534001 +1 18.83494479 +1 0.1589 H( 999 ALA* 3) 29.34010794 +1 27.36139507 +1 25.59986885 +1 0.3214 H( 1000 ALA* 3) 27.55359974 +1 29.56038100 +1 24.93871816 +1 0.1891 H( 1001 ALA 3) 27.32625939 +1 27.25278896 +1 27.04427469 +1 0.1872 H( 1002 ALA 3) 26.76062930 +1 27.21492272 +1 25.36666195 +1 0.1879 H( 1003 ALA 3) 26.00872959 +1 28.31239530 +1 26.51244998 +1 0.1897 H( 1004 LYS* 4) 29.49262981 +1 28.75090570 +1 27.92551647 +1 0.3097 H( 1005 LYS* 4) 28.27837485 +1 30.81432288 +1 29.55107284 +1 0.1866 H( 1006 LYS 4) 31.16639661 +1 29.64911387 +1 29.59790021 +1 0.1555 H( 1007 LYS 4) 29.74395678 +1 28.88456697 +1 30.35555200 +1 0.1612 H( 1008 LYS 4) 30.75854001 +1 31.70317738 +1 31.09226500 +1 0.1532 H( 1009 LYS 4) 29.43325536 +1 30.84989275 +1 31.86077305 +1 0.1425 H( 1010 LYS 4) 32.34812090 +1 29.80898521 +1 31.77649881 +1 0.1343 H( 1011 LYS 4) 30.99719678 +1 28.99431400 +1 32.57300929 +1 0.1390 H( 1012 LYS 4) 32.21106797 +1 30.24820191 +1 34.28970724 +1 0.1393 H( 1013 LYS 4) 30.65677778 +1 31.07800481 +1 34.04943217 +1 0.1333 H( 1014 LYS 4) 33.17580507 +1 31.92420136 +1 32.70984204 +1 0.2056 H( 1015 LYS 4) 31.76554827 +1 32.75574680 +1 32.76189146 +1 0.2229 H( 1016 GLU* 5) 31.17030391 +1 30.88606784 +1 27.29204965 +1 0.3273 H( 1017 GLU* 5) 31.92750274 +1 33.58883908 +1 27.94651768 +1 0.1814 H( 1018 GLU 5) 32.81083778 +1 33.47486048 +1 25.46501315 +1 0.1788 H( 1019 GLU 5) 32.14188576 +1 31.85853376 +1 25.35610757 +1 0.1924 H( 1020 GLU 5) 34.45041198 +1 32.86578258 +1 27.12191275 +1 0.1832 H( 1021 GLU 5) 33.56484884 +1 31.40656025 +1 27.61561740 +1 0.1875 H( 1022 GLU 5) 35.97679324 +1 29.81802015 +1 25.59943218 +1 0.3723 H( 1023 TYR* 6) 29.54376315 +1 32.28595473 +1 25.46939636 +1 0.3242 H( 1024 TYR* 6) 29.02484721 +1 34.95448714 +1 24.41366733 +1 0.1946 H( 1025 TYR 6) 28.47977499 +1 32.45872963 +1 23.48857706 +1 0.1788 H( 1026 TYR 6) 26.96299115 +1 32.64915916 +1 24.35816654 +1 0.1718 H( 1027 TYR 6) 28.45370432 +1 33.13624011 +1 21.23197393 +1 0.1526 H( 1028 TYR 6) 25.88818985 +1 35.21939532 +1 23.99744463 +1 0.1654 H( 1029 TYR 6) 27.56833971 +1 34.49515497 +1 19.39337020 +1 0.1800 H( 1030 TYR 6) 25.01971916 +1 36.60093563 +1 22.13870974 +1 0.1999 H( 1031 TYR 6) 26.20832059 +1 36.23255507 +1 18.78452481 +1 0.3395 H( 1032 ALA* 7) 27.37345379 +1 32.90445685 +1 26.98823548 +1 0.3315 H( 1033 ALA* 7) 25.23038854 +1 34.79275863 +1 27.43550107 +1 0.1770 H( 1034 ALA 7) 26.66518705 +1 32.88594069 +1 29.44016986 +1 0.1804 H( 1035 ALA 7) 25.30548701 +1 32.43894375 +1 28.37486609 +1 0.1753 H( 1036 ALA 7) 25.09776521 +1 33.64604266 +1 29.66423323 +1 0.1912 H( 1037 ASP* 8) 28.61222405 +1 34.57049651 +1 28.88230443 +1 0.3288 H( 1038 ASP* 8) 28.22641143 +1 36.82992763 +1 30.59935727 +1 0.2020 H( 1039 ASP 8) 30.81498653 +1 37.02305806 +1 30.31898385 +1 0.2009 H( 1040 ASP 8) 30.73739325 +1 35.67008883 +1 29.17537806 +1 0.2052 H( 1041 ASP 8) 32.07075016 +1 34.60644615 +1 30.83810918 +1 0.3940 H( 1042 ALA* 9) 29.25248596 +1 36.66940146 +1 27.08404778 +1 0.3287 H( 1043 ALA* 9) 29.91247397 +1 39.51653831 +1 26.94668231 +1 0.1893 H( 1044 ALA 9) 30.65487231 +1 37.80308857 +1 25.23505742 +1 0.1724 H( 1045 ALA 9) 28.97715898 +1 37.51199550 +1 24.74851345 +1 0.1868 H( 1046 ALA 9) 29.72334134 +1 39.09419011 +1 24.47380541 +1 0.1770 H( 1047 LEU* 10) 26.83724055 +1 37.58131102 +1 26.44149177 +1 0.3361 H( 1048 LEU* 10) 25.35304027 +1 39.91784080 +1 25.50349239 +1 0.1925 H( 1049 LEU 10) 24.66595272 +1 37.17161473 +1 26.74021902 +1 0.1682 H( 1050 LEU 10) 23.40698945 +1 38.38461262 +1 26.52828329 +1 0.1708 H( 1051 LEU 10) 25.19807239 +1 37.48186175 +1 24.19502354 +1 0.1254 H( 1052 LEU 10) 24.01221986 +1 35.50299462 +1 25.14477035 +1 0.1486 H( 1053 LEU 10) 22.47200432 +1 36.36928255 +1 25.15431461 +1 0.1613 H( 1054 LEU 10) 23.24407401 +1 35.96851741 +1 23.62568145 +1 0.1579 H( 1055 LEU 10) 23.91982650 +1 39.66446695 +1 23.92227983 +1 0.1553 H( 1056 LEU 10) 23.38726575 +1 38.41023995 +1 22.79896195 +1 0.1710 H( 1057 LEU 10) 22.40288350 +1 38.81120147 +1 24.22272515 +1 0.1540 H( 1058 TYR* 11) 25.95092434 +1 38.49958012 +1 28.83806434 +1 0.3301 H( 1059 TYR* 11) 24.11280356 +1 40.38960991 +1 30.09833550 +1 0.1875 H( 1060 TYR 11) 26.59604262 +1 38.83138231 +1 31.12938181 +1 0.1635 H( 1061 TYR 11) 24.88759327 +1 38.37569484 +1 31.28079074 +1 0.1660 H( 1062 TYR 11) 23.32996371 +1 40.33634769 +1 32.37853581 +1 0.1738 H( 1063 TYR 11) 27.58299914 +1 39.94906648 +1 32.98721435 +1 0.1540 H( 1064 TYR 11) 23.15705384 +1 41.63801259 +1 34.48402891 +1 0.1950 H( 1065 TYR 11) 27.39339985 +1 41.21051393 +1 35.08870101 +1 0.1683 H( 1066 TYR 11) 26.00628649 +1 42.37106827 +1 36.50710713 +1 0.3253 H( 1067 ASP* 12) 27.76179659 +1 40.45796131 +1 29.60214871 +1 0.3241 H( 1068 ASP* 12) 28.17303284 +1 42.96598178 +1 30.80844336 +1 0.2087 H( 1069 ASP 12) 30.10584744 +1 43.16239049 +1 29.08574630 +1 0.2051 H( 1070 ASP 12) 29.53014081 +1 41.68135110 +1 28.29923209 +1 0.2051 H( 1071 ASP 12) 31.92578994 +1 40.35980790 +1 30.60099344 +1 0.3689 H( 1072 SER* 13) 26.96435858 +1 42.29704705 +1 27.43246350 +1 0.3036 H( 1073 SER* 13) 27.21813418 +1 45.18207181 +1 26.75767750 +1 0.2030 H( 1074 SER 13) 27.67308452 +1 43.38761006 +1 25.03844900 +1 0.1322 H( 1075 SER 13) 26.00579905 +1 42.71526372 +1 25.21717251 +1 0.1589 H( 1076 SER 13) 26.34623416 +1 45.43472838 +1 24.49239788 +1 0.3252 H( 1077 LEU* 14) 24.45640837 +1 42.82608064 +1 27.36383555 +1 0.3146 H( 1078 LEU* 14) 22.66758258 +1 45.18997102 +1 26.96771691 +1 0.1800 H( 1079 LEU 14) 21.92424014 +1 42.21024942 +1 27.43561472 +1 0.1795 H( 1080 LEU 14) 20.87815733 +1 43.50719490 +1 26.86825915 +1 0.1450 H( 1081 LEU 14) 23.31255931 +1 42.32862496 +1 25.36772394 +1 0.1244 H( 1082 LEU 14) 21.60233822 +1 41.33660475 +1 23.89336833 +1 0.1538 H( 1083 LEU 14) 21.30745076 +1 40.81988657 +1 25.55709094 +1 0.1585 H( 1084 LEU 14) 20.28769379 +1 42.06063113 +1 24.81851179 +1 0.1382 H( 1085 LEU 14) 23.07149436 +1 44.66709378 +1 24.69053214 +1 0.1698 H( 1086 LEU 14) 22.39827617 +1 43.68121234 +1 23.40611703 +1 0.1613 H( 1087 LEU 14) 21.31308337 +1 44.52533253 +1 24.51133428 +1 0.1398 H( 1088 GLY* 15) 23.97448739 +1 43.30904851 +1 29.68565322 +1 0.3295 H( 1089 GLY* 15) 23.73190121 +1 43.77184956 +1 31.89217188 +1 0.2045 H( 1090 GLY* 15) 22.65448956 +1 45.15075731 +1 31.50262077 +1 0.2007 H( 1091 HIS* 16) 21.55224978 +1 42.01335712 +1 30.20730689 +1 0.3142 H( 1092 HIS* 16) 19.65214216 +1 41.93538739 +1 32.55801249 +1 0.2049 H( 1093 HIS 16) 19.24397309 +1 40.84064299 +1 29.67527639 +1 0.1754 H( 1094 HIS 16) 18.03939620 +1 40.90775990 +1 30.98131242 +1 0.1815 H( 1095 HIS 16) 18.90098820 +1 42.96177889 +1 27.93036337 +1 0.1790 H( 1096 HIS 16) 17.33659166 +1 45.77346570 +1 30.67460234 +1 0.1991 H( 1097 HIS 16) 18.42054030 +1 45.38511647 +1 28.35599445 +1 0.3263 H( 1098 SER* 17) 18.84830917 +1 39.67805684 +1 33.00483594 +1 0.3244 H( 1099 SER* 17) 21.11473613 +1 37.84680575 +1 33.36215270 +1 0.1991 H( 1100 SER 17) 19.24481345 +1 36.29152416 +1 34.14363598 +1 0.1677 H( 1101 SER 17) 18.01441943 +1 37.49536941 +1 33.59375839 +1 0.1652 H( 1102 SER 17) 19.34693359 +1 38.97100639 +1 35.11916411 +1 0.3451 H( 1103 VAL* 18) 21.67231672 +1 36.05344401 +1 32.16698867 +1 0.3252 H( 1104 VAL* 18) 20.09380262 +1 35.56827284 +1 29.62253500 +1 0.2145 H( 1105 VAL 18) 23.17608169 +1 35.50726954 +1 30.07033006 +1 0.1252 H( 1106 VAL 18) 23.10725540 +1 35.29614681 +1 27.49714635 +1 0.1533 H( 1107 VAL 18) 22.50588875 +1 33.87338279 +1 28.35483805 +1 0.1543 H( 1108 VAL 18) 21.36930382 +1 34.99671784 +1 27.60937739 +1 0.1734 H( 1109 VAL 18) 23.23830334 +1 37.51221312 +1 28.62492277 +1 0.1535 H( 1110 VAL 18) 21.46627834 +1 37.54312541 +1 28.48509117 +1 0.1657 H( 1111 VAL 18) 22.23938399 +1 37.87091572 +1 30.03568839 +1 0.1793 H( 1112 LEU* 19) 19.59825377 +1 33.40592279 +1 29.35558724 +1 0.3399 H( 1113 LEU* 19) 21.24456192 +1 31.41384658 +1 30.95617390 +1 0.1991 H( 1114 LEU 19) 19.25179178 +1 29.98872469 +1 31.06350777 +1 0.1658 H( 1115 LEU 19) 18.27213594 +1 31.12650448 +1 30.13378042 +1 0.1610 H( 1116 LEU 19) 18.42727386 +1 32.82049240 +1 31.99745568 +1 0.1146 H( 1117 LEU 19) 17.33761502 +1 30.01024976 +1 32.67637187 +1 0.1695 H( 1118 LEU 19) 16.48412146 +1 31.30586162 +1 31.84821789 +1 0.1543 H( 1119 LEU 19) 16.92645015 +1 31.47959504 +1 33.55254521 +1 0.1627 H( 1120 LEU 19) 20.53814356 +1 32.15472040 +1 33.05537297 +1 0.1623 H( 1121 LEU 19) 19.91334379 +1 30.54447165 +1 33.45680830 +1 0.1518 H( 1122 LEU 19) 19.23250185 +1 31.96629398 +1 34.24600801 +1 0.1537 H( 1123 ILE* 20) 21.89660837 +1 29.61108280 +1 29.73345128 +1 0.3256 H( 1124 ILE* 20) 20.67040048 +1 29.41019213 +1 26.95621340 +1 0.2241 H( 1125 ILE 20) 23.65087149 +1 28.95090488 +1 27.72442249 +1 0.1144 H( 1126 ILE 20) 22.92349561 +1 31.35413575 +1 27.41591407 +1 0.1355 H( 1127 ILE 20) 22.21659844 +1 30.95299834 +1 25.85247753 +1 0.1478 H( 1128 ILE 20) 23.78948392 +1 28.43077901 +1 25.19564517 +1 0.1522 H( 1129 ILE 20) 22.89522085 +1 27.21285262 +1 26.11477534 +1 0.1631 H( 1130 ILE 20) 22.02005327 +1 28.38697187 +1 25.14674730 +1 0.1854 H( 1131 ILE 20) 25.22899242 +1 30.76841661 +1 26.53382206 +1 0.1545 H( 1132 ILE 20) 24.51200692 +1 30.37740781 +1 24.96505571 +1 0.1508 H( 1133 ILE 20) 24.43715157 +1 32.02915529 +1 25.58624831 +1 0.1433 H( 1134 CYS* 21) 19.76645182 +1 27.38058455 +1 26.66101408 +1 0.3649 H( 1135 CYS* 21) 20.66657951 +1 25.27851486 +1 28.67864436 +1 0.1630 H( 1136 CYS 21) 18.40693349 +1 24.33316937 +1 28.38792999 +1 0.1527 H( 1137 CYS 21) 18.35596921 +1 25.98353763 +1 29.06704976 +1 0.1373 H( 1138 ASP* 22) 20.34580270 +1 23.06882663 +1 27.85156447 +1 0.3219 H( 1139 ASP* 22) 20.74925478 +1 22.87995514 +1 24.83948093 +1 0.2074 H( 1140 ASP 22) 22.60672983 +1 21.79491036 +1 26.03069515 +1 0.2019 H( 1141 ASP 22) 21.58977810 +1 20.58500011 +1 25.24326829 +1 0.2013 H( 1142 ASP 22) 23.34982805 +1 19.89247624 +1 27.26330009 +1 0.4111 H( 1143 ARG* 23) 19.68128424 +1 20.01842125 +1 25.06697159 +1 0.2857 H( 1144 ARG* 23) 16.88889413 +1 20.82205280 +1 24.81965629 +1 0.1974 H( 1145 ARG 23) 18.28307501 +1 18.02573982 +1 25.00955146 +1 0.1503 H( 1146 ARG 23) 16.58308416 +1 18.26493053 +1 24.61990300 +1 0.1852 H( 1147 ARG 23) 18.84152480 +1 19.48215810 +1 22.88031114 +1 0.1314 H( 1148 ARG 23) 17.11495759 +1 19.41717040 +1 22.49855066 +1 0.1751 H( 1149 ARG 23) 18.78688245 +1 16.86357567 +1 23.09271678 +1 0.1321 H( 1150 ARG 23) 17.10630413 +1 16.93411717 +1 22.51276961 +1 0.1745 H( 1151 ARG 23) 17.80076752 +1 17.80189814 +1 20.39814065 +1 0.3074 H( 1152 ARG 23) 21.70032059 +1 17.11795950 +1 21.20791345 +1 0.2643 H( 1153 ARG 23) 20.65269300 +1 17.29739405 +1 22.50851062 +1 0.2649 H( 1154 ARG 23) 20.99172847 +1 17.28942564 +1 19.02641507 +1 0.2544 H( 1155 ASP* 24) 18.72935709 +1 20.19050469 +1 27.67184761 +1 0.3206 H( 1156 ASP* 24) 16.26779729 +1 19.00331261 +1 29.01314968 +1 0.2131 H( 1157 ASP 24) 19.28454675 +1 18.40622029 +1 29.54538539 +1 0.1846 H( 1158 ASP 24) 17.89987204 +1 17.71067221 +1 30.39426678 +1 0.2166 H( 1159 ASP 24) 19.99616201 +1 17.17212090 +1 27.85034557 +1 0.3978 H( 1160 VAL* 25) 19.35195631 +1 21.00254845 +1 29.58125124 +1 0.3292 H( 1161 VAL* 25) 17.93495010 +1 22.11214359 +1 32.00711834 +1 0.2149 H( 1162 VAL 25) 19.95949718 +1 21.81165899 +1 33.34837095 +1 0.1229 H( 1163 VAL 25) 19.69025944 +1 19.43861894 +1 33.86123100 +1 0.1452 H( 1164 VAL 25) 19.09427325 +1 19.06025742 +1 32.24341202 +1 0.1593 H( 1165 VAL 25) 18.11527792 +1 20.04631481 +1 33.33572347 +1 0.1681 H( 1166 VAL 25) 21.81813077 +1 20.23083078 +1 32.57748548 +1 0.1584 H( 1167 VAL 25) 21.09414780 +1 20.15371844 +1 30.98023710 +1 0.1653 H( 1168 VAL 25) 21.73160974 +1 21.68506150 +1 31.57000510 +1 0.1608 H( 1169 TYR* 26) 19.16544320 +1 24.05601445 +1 32.86509197 +1 0.3256 H( 1170 TYR* 26) 20.28391467 +1 25.61304200 +1 30.61426554 +1 0.1994 H( 1171 TYR 26) 20.76961184 +1 27.29722467 +1 32.48763694 +1 0.1613 H( 1172 TYR 26) 20.10343175 +1 26.16572692 +1 33.67959260 +1 0.1838 H( 1173 TYR 26) 19.27944871 +1 27.77516999 +1 30.35213637 +1 0.1530 H( 1174 TYR 26) 17.72734256 +1 26.05910293 +1 33.98508784 +1 0.1595 H( 1175 TYR 26) 17.00609952 +1 28.41677260 +1 29.66858326 +1 0.1870 H( 1176 TYR 26) 15.42261208 +1 26.74880584 +1 33.30396592 +1 0.1903 H( 1177 TYR 26) 14.70864920 +1 28.05208638 +1 30.12586926 +1 0.3399 H( 1178 ILE* 27) 22.31554279 +1 25.77103301 +1 29.98058338 +1 0.3442 H( 1179 ILE* 27) 24.42394471 +1 24.31483328 +1 31.64488504 +1 0.2094 H( 1180 ILE 27) 25.60826324 +1 24.05130135 +1 29.51060279 +1 0.1382 H( 1181 ILE 27) 24.61175898 +1 26.18066615 +1 28.41008241 +1 0.1285 H( 1182 ILE 27) 23.13738793 +1 25.26695275 +1 28.09094398 +1 0.1493 H( 1183 ILE 27) 24.02456566 +1 22.38870763 +1 28.48898026 +1 0.1564 H( 1184 ILE 27) 23.98007111 +1 22.29715771 +1 30.25047019 +1 0.1718 H( 1185 ILE 27) 22.65816459 +1 23.08441757 +1 29.36644166 +1 0.1741 H( 1186 ILE 27) 25.93969879 +1 24.55770819 +1 27.00884680 +1 0.1473 H( 1187 ILE 27) 24.46390177 +1 23.64344557 +1 26.67196291 +1 0.1509 H( 1188 ILE 27) 24.61254919 +1 25.30313141 +1 26.09634300 +1 0.1511 H( 1189 ALA* 28) 23.43680962 +1 27.54164154 +1 30.57750930 +1 0.3400 H( 1190 ALA* 28) 26.00087078 +1 28.49072438 +1 31.81873108 +1 0.1609 H( 1191 ALA 28) 26.44480728 +1 28.51740582 +1 29.38163725 +1 0.1736 H( 1192 ALA 28) 24.92737458 +1 29.35574476 +1 29.03597685 +1 0.1872 H( 1193 ALA 28) 26.20004518 +1 30.19126496 +1 29.93413587 +1 0.1672 H( 1194 VAL* 29) 25.62795332 +1 30.27392895 +1 33.08292413 +1 0.3038 H( 1195 VAL* 29) 22.97513760 +1 31.70032517 +1 32.80559437 +1 0.2147 H( 1196 VAL 29) 24.40225669 +1 30.80847343 +1 35.42743268 +1 0.1271 H( 1197 VAL 29) 23.07999467 +1 32.87546168 +1 35.73558603 +1 0.1606 H( 1198 VAL 29) 22.18851370 +1 31.54428951 +1 36.46162797 +1 0.1634 H( 1199 VAL 29) 21.67952438 +1 32.18302235 +1 34.89479635 +1 0.1702 H( 1200 VAL 29) 23.50010143 +1 28.76796377 +1 34.42277724 +1 0.1574 H( 1201 VAL 29) 22.35506824 +1 29.25748582 +1 35.66943407 +1 0.1568 H( 1202 VAL 29) 21.98915487 +1 29.55638774 +1 33.96294597 +1 0.1724 H( 1203 SER* 30) 23.41755687 +1 33.91761924 +1 32.63913348 +1 0.3465 H( 1204 SER* 30) 25.84155756 +1 34.86909409 +1 34.19619168 +1 0.1964 H( 1205 SER 30) 26.25245007 +1 36.51730547 +1 32.31971819 +1 0.1282 H( 1206 SER 30) 25.03162718 +1 35.66823889 +1 31.29074603 +1 0.1693 H( 1207 SER 30) 27.41845740 +1 34.47733993 +1 32.30413993 +1 0.3430 H( 1208 GLY* 31) 25.51077100 +1 36.93747175 +1 35.19920758 +1 0.3260 H( 1209 GLY* 31) 24.33822802 +1 38.85760775 +1 35.78448052 +1 0.2150 H( 1210 GLY* 31) 23.05310870 +1 38.49668961 +1 34.61578608 +1 0.2054 H( 1211 SER* 32) 22.85635132 +1 35.59878612 +1 35.91964396 +1 0.2931 H( 1212 SER* 32) 21.26853132 +1 36.51291361 +1 38.30042617 +1 0.2188 H( 1213 SER 32) 20.70460682 +1 34.44260326 +1 36.05919488 +1 0.1413 H( 1214 SER 32) 19.99445511 +1 34.20093473 +1 37.69616738 +1 0.1566 H( 1215 SER 32) 19.70020127 +1 36.68745817 +1 36.30767423 +1 0.3633 H( 1216 SER* 33) 20.97642329 +1 34.42215327 +1 39.77448830 +1 0.2944 H( 1217 SER* 33) 23.71726550 +1 33.63677374 +1 40.51186830 +1 0.1794 H( 1218 SER 33) 22.17221452 +1 34.10064727 +1 42.34211631 +1 0.1406 H( 1219 SER 33) 20.87649913 +1 33.03669414 +1 41.65778190 +1 0.1723 H( 1220 SER 33) 23.33418782 +1 32.09466173 +1 42.74656310 +1 0.3273 H( 1221 LYS* 34) 24.73605786 +1 31.85605511 +1 39.80154240 +1 0.3107 H( 1222 LYS* 34) 23.61474786 +1 29.98763346 +1 37.94085251 +1 0.1869 H( 1223 LYS 34) 26.03441529 +1 29.86022185 +1 39.88360930 +1 0.1506 H( 1224 LYS 34) 25.65156561 +1 28.56244347 +1 38.75827639 +1 0.1702 H( 1225 LYS 34) 26.04069942 +1 29.90481644 +1 36.80707608 +1 0.1571 H( 1226 LYS 34) 25.90717253 +1 31.43111760 +1 37.67414234 +1 0.1532 H( 1227 LYS 34) 28.14216872 +1 29.38309906 +1 38.27537935 +1 0.1393 H( 1228 LYS 34) 28.03299767 +1 31.04994243 +1 38.86417758 +1 0.1225 H( 1229 LYS 34) 29.61911702 +1 30.92369158 +1 37.01416354 +1 0.1291 H( 1230 LYS 34) 28.44567406 +1 30.06215543 +1 35.98174616 +1 0.1308 H( 1231 LYS 34) 28.86293273 +1 32.68014236 +1 35.81603879 +1 0.2187 H( 1232 LYS 34) 27.38743237 +1 32.04536946 +1 35.48604137 +1 0.2443 H( 1233 LYS* 35) 23.66682774 +1 29.92348654 +1 41.57137733 +1 0.3152 H( 1234 LYS* 35) 22.77742653 +1 27.21414800 +1 41.87920857 +1 0.1958 H( 1235 LYS 35) 22.51622867 +1 29.88473254 +1 43.43295768 +1 0.1676 H( 1236 LYS 35) 21.49617916 +1 28.54834558 +1 43.91902610 +1 0.1725 H( 1237 LYS 35) 24.56836427 +1 28.40243551 +1 43.74805988 +1 0.1232 H( 1238 LYS 35) 23.52714076 +1 27.05639610 +1 44.19793326 +1 0.1474 H( 1239 LYS 35) 24.53213757 +1 28.44033014 +1 46.14151410 +1 0.1366 H( 1240 LYS 35) 23.48570868 +1 29.77871440 +1 45.68554448 +1 0.1495 H( 1241 LYS 35) 22.37300874 +1 26.96364637 +1 46.27015520 +1 0.1114 H( 1242 LYS 35) 21.44728102 +1 28.47405105 +1 46.09554388 +1 0.1427 H( 1243 LYS 35) 23.34942710 +1 27.96792157 +1 48.31632328 +1 0.2017 H( 1244 LYS 35) 21.72136607 +1 28.00815478 +1 48.40693065 +1 0.2119 H( 1245 ASP* 36) 20.93684367 +1 30.17318382 +1 40.88247238 +1 0.3110 H( 1246 ASP* 36) 18.36739637 +1 28.85922495 +1 41.50161874 +1 0.2102 H( 1247 ASP 36) 19.10370193 +1 31.40737066 +1 39.84660638 +1 0.2079 H( 1248 ASP 36) 17.46072266 +1 30.87224594 +1 40.22321240 +1 0.2237 H( 1249 ASP 36) 18.60730272 +1 33.23988608 +1 42.86370142 +1 0.3736 H( 1250 TYR* 37) 20.58096193 +1 28.96527589 +1 38.64797927 +1 0.2953 H( 1251 TYR* 37) 18.33882397 +1 27.57831159 +1 37.16209110 +1 0.2125 H( 1252 TYR 37) 20.35507192 +1 29.68923677 +1 36.07916551 +1 0.1577 H( 1253 TYR 37) 19.19782364 +1 28.77734955 +1 35.10776683 +1 0.1782 H( 1254 TYR 37) 16.67501782 +1 28.95670418 +1 35.71665205 +1 0.1556 H( 1255 TYR 37) 19.65672024 +1 31.66490658 +1 37.21595438 +1 0.1424 H( 1256 TYR 37) 14.90844496 +1 30.62352546 +1 36.23969638 +1 0.1599 H( 1257 TYR 37) 17.89036412 +1 33.33081919 +1 37.71794303 +1 0.1906 H( 1258 TYR 37) 15.71551528 +1 33.94654280 +1 37.53973496 +1 0.3901 H( 1259 LEU* 38) 21.93852738 +1 27.44009208 +1 37.74352796 +1 0.3288 H( 1260 LEU* 38) 22.40455933 +1 26.15192004 +1 35.14768309 +1 0.1650 H( 1261 LEU 38) 24.11739439 +1 27.36616919 +1 36.66036700 +1 0.1544 H( 1262 LEU 38) 24.03478243 +1 25.99979082 +1 37.77002301 +1 0.1804 H( 1263 LEU 38) 24.78187437 +1 24.45834427 +1 35.86010330 +1 0.1273 H( 1264 LEU 38) 25.86130379 +1 25.56845184 +1 33.87134943 +1 0.1526 H( 1265 LEU 38) 24.13141350 +1 25.90627437 +1 33.91755084 +1 0.1567 H( 1266 LEU 38) 25.29507807 +1 27.14956850 +1 34.41226839 +1 0.1531 H( 1267 LEU 38) 27.15186000 +1 25.21521350 +1 36.02904406 +1 0.1535 H( 1268 LEU 38) 26.35272465 +1 25.35069714 +1 37.58562876 +1 0.1615 H( 1269 LEU 38) 26.64813095 +1 26.80328648 +1 36.61600774 +1 0.1484 H( 1270 ASN* 39) 22.11635062 +1 24.01596843 +1 34.63625256 +1 0.3271 H( 1271 ASN* 39) 21.69598788 +1 21.83615292 +1 34.75814347 +1 0.1673 H( 1272 ASN 39) 22.69336088 +1 22.19453829 +1 37.69552389 +1 0.2346 H( 1273 ASN 39) 22.06492891 +1 20.64244353 +1 37.15579778 +1 0.1940 H( 1274 ASN 39) 24.73650823 +1 20.61073837 +1 34.41000802 +1 0.2864 H( 1275 ASN 39) 23.04180866 +1 20.48399377 +1 34.41288353 +1 0.2896 H( 1276 LYS* 40) 19.70345405 +1 24.11173269 +1 36.02288347 +1 0.3301 H( 1277 LYS* 40) 17.76323990 +1 22.26091345 +1 37.28676842 +1 0.1805 H( 1278 LYS 40) 17.62140873 +1 25.17972448 +1 36.24126352 +1 0.1651 H( 1279 LYS 40) 16.27601872 +1 24.32495101 +1 37.01778190 +1 0.1690 H( 1280 LYS 40) 19.01727449 +1 24.72636766 +1 38.39897724 +1 0.1548 H( 1281 LYS 40) 17.71320993 +1 25.91981367 +1 38.46135798 +1 0.1464 H( 1282 LYS 40) 17.58398258 +1 23.00822529 +1 39.49599951 +1 0.1393 H( 1283 LYS 40) 16.16631940 +1 24.04861647 +1 39.38821440 +1 0.1444 H( 1284 LYS 40) 18.75924963 +1 24.75137869 +1 40.92288078 +1 0.1273 H( 1285 LYS 40) 17.31827271 +1 24.02932399 +1 41.67555604 +1 0.1421 H( 1286 LYS 40) 17.12500177 +1 26.62689590 +1 40.26461302 +1 0.2306 H( 1287 LYS 40) 17.48938375 +1 26.48744670 +1 41.86599267 +1 0.2287 H( 1288 SER* 41) 15.68851743 +1 21.73811927 +1 36.27083057 +1 0.3271 H( 1289 SER* 41) 16.12832288 +1 20.96473000 +1 33.43354598 +1 0.1963 H( 1290 SER 41) 13.75122919 +1 20.60654238 +1 35.41182685 +1 0.1324 H( 1291 SER 41) 13.80324284 +1 19.97147190 +1 33.71786022 +1 0.1749 H( 1292 SER 41) 15.52546758 +1 19.17601807 +1 35.86770224 +1 0.3511 H( 1293 ILE* 42) 15.29916287 +1 22.01404924 +1 31.64984802 +1 0.3201 H( 1294 ILE* 42) 14.25590021 +1 24.70773190 +1 31.98208295 +1 0.1953 H( 1295 ILE 42) 13.94673855 +1 24.67039750 +1 29.55743769 +1 0.1346 H( 1296 ILE 42) 14.69919157 +1 21.67052235 +1 29.61231621 +1 0.1330 H( 1297 ILE 42) 13.05517831 +1 22.28467471 +1 29.37848476 +1 0.1405 H( 1298 ILE 42) 16.60077223 +1 23.23200877 +1 30.21494600 +1 0.1466 H( 1299 ILE 42) 16.26346914 +1 24.38145264 +1 28.91688571 +1 0.2186 H( 1300 ILE 42) 16.27352874 +1 24.93526390 +1 30.59466406 +1 0.1583 H( 1301 ILE 42) 15.39837595 +1 23.06452679 +1 27.50964879 +1 0.1882 H( 1302 ILE 42) 14.32515755 +1 21.69254034 +1 27.21584702 +1 0.1483 H( 1303 ILE 42) 13.68942040 +1 23.34730013 +1 27.22948886 +1 0.1497 H( 1304 SER* 43) 12.13491781 +1 25.50781522 +1 31.37635761 +1 0.3219 H( 1305 SER* 43) 10.04355604 +1 23.77334951 +1 32.50050912 +1 0.1841 H( 1306 SER 43) 10.19680175 +1 26.28431003 +1 32.85583281 +1 0.1352 H( 1307 SER 43) 8.63189043 +1 25.80685111 +1 32.09632926 +1 0.1417 H( 1308 SER 43) 10.16790726 +1 27.64553276 +1 31.14576312 +1 0.3637 H( 1309 GLU* 44) 7.97166868 +1 23.34674982 +1 31.45852465 +1 0.3139 H( 1310 GLU* 44) 8.10310746 +1 22.22192111 +1 28.83519593 +1 0.2179 H( 1311 GLU 44) 5.65954689 +1 23.45267306 +1 30.35449375 +1 0.1451 H( 1312 GLU 44) 5.56349683 +1 22.44286524 +1 28.91940004 +1 0.1961 H( 1313 GLU 44) 7.13045990 +1 20.79043397 +1 30.44515458 +1 0.1917 H( 1314 GLU 44) 6.31481758 +1 21.65691947 +1 31.76299106 +1 0.1670 H( 1315 GLU 44) 5.87571659 +1 18.93641211 +1 31.25727419 +1 0.3555 H( 1316 MET* 45) 7.43740780 +1 25.66830768 +1 29.86582264 +1 0.3188 H( 1317 MET* 45) 6.52899780 +1 26.54184168 +1 27.26193784 +1 0.1773 H( 1318 MET 45) 8.15368321 +1 28.01076148 +1 29.48829736 +1 0.1857 H( 1319 MET 45) 6.39734017 +1 27.88524171 +1 29.39633459 +1 0.1507 H( 1320 MET 45) 6.70927790 +1 30.00222150 +1 28.45040124 +1 0.1632 H( 1321 MET 45) 6.65560224 +1 29.01756683 +1 26.97116597 +1 0.1730 H( 1322 MET 45) 10.53411803 +1 30.78061725 +1 28.73816655 +1 0.1813 H( 1323 MET 45) 9.39780735 +1 29.84677221 +1 29.73337609 +1 0.1941 H( 1324 MET 45) 8.93923654 +1 31.46010892 +1 29.12471640 +1 0.1820 H( 1325 LEU* 46) 9.90798446 +1 26.25196357 +1 28.69140247 +1 0.3246 H( 1326 LEU* 46) 11.20258470 +1 27.31179478 +1 26.31922047 +1 0.1859 H( 1327 LEU 46) 12.92463329 +1 25.35680337 +1 27.48855328 +1 0.1822 H( 1328 LEU 46) 11.92243001 +1 25.82721756 +1 28.85186218 +1 0.1704 H( 1329 LEU 46) 14.03836034 +1 27.05909431 +1 28.75540752 +1 0.1148 H( 1330 LEU 46) 14.53240273 +1 28.70119662 +1 26.92135410 +1 0.1522 H( 1331 LEU 46) 14.44744215 +1 27.05540626 +1 26.31745377 +1 0.1942 H( 1332 LEU 46) 13.09941194 +1 28.16910749 +1 26.02101049 +1 0.1437 H( 1333 LEU 46) 13.10618092 +1 29.39832476 +1 28.93352412 +1 0.1436 H( 1334 LEU 46) 12.04056256 +1 28.21842002 +1 29.71409016 +1 0.1551 H( 1335 LEU 46) 11.62185218 +1 28.88195670 +1 28.13400731 +1 0.1655 H( 1336 GLU* 47) 10.28298503 +1 23.91210285 +1 27.34219684 +1 0.3283 H( 1337 GLU* 47) 11.52035257 +1 22.66931851 +1 25.05473501 +1 0.2041 H( 1338 GLU 47) 9.73315198 +1 20.85793391 +1 25.54654945 +1 0.1615 H( 1339 GLU 47) 9.04822105 +1 21.89017556 +1 26.80171900 +1 0.1707 H( 1340 GLU 47) 11.94721151 +1 20.81803620 +1 26.71828424 +1 0.1866 H( 1341 GLU 47) 11.35092702 +1 21.93003283 +1 27.95651350 +1 0.1974 H( 1342 GLU 47) 12.34492388 +1 19.26341863 +1 28.54550510 +1 0.4093 H( 1343 ARG* 48) 8.15017927 +1 24.07627385 +1 25.45438359 +1 0.3313 H( 1344 ARG* 48) 7.30314823 +1 23.16804817 +1 22.80885455 +1 0.1751 H( 1345 ARG 48) 6.35222960 +1 25.56880878 +1 24.54972548 +1 0.1656 H( 1346 ARG 48) 5.52782863 +1 24.92809676 +1 23.12250397 +1 0.1482 H( 1347 ARG 48) 5.98656450 +1 23.48951820 +1 25.82108676 +1 0.1877 H( 1348 ARG 48) 5.36470647 +1 22.65058476 +1 24.41225962 +1 0.1427 H( 1349 ARG 48) 3.93534225 +1 25.26868740 +1 24.97539609 +1 0.1347 H( 1350 ARG 48) 3.26102203 +1 23.70756675 +1 24.49597691 +1 0.1457 H( 1351 ARG 48) 4.03957451 +1 24.62415156 +1 27.22864047 +1 0.2701 H( 1352 ARG 48) 3.46636678 +1 21.53815920 +1 25.55060698 +1 0.2490 H( 1353 ARG 48) 2.31708831 +1 21.02540908 +1 26.67491873 +1 0.2834 H( 1354 ARG 48) 2.79644347 +1 23.58968629 +1 28.91569304 +1 0.2355 H( 1355 THR* 49) 8.79741120 +1 26.25897034 +1 24.08491710 +1 0.3258 H( 1356 THR* 49) 8.57166205 +1 27.69242176 +1 21.58720111 +1 0.2217 H( 1357 THR 49) 10.76810403 +1 27.85916506 +1 23.80056933 +1 0.1157 H( 1358 THR 49) 8.93183082 +1 28.31877368 +1 24.89316081 +1 0.3501 H( 1359 THR 49) 11.27661294 +1 29.10639875 +1 21.60003538 +1 0.1746 H( 1360 THR 49) 9.73225655 +1 29.94068929 +1 21.73806198 +1 0.1927 H( 1361 THR 49) 10.97787934 +1 30.20865637 +1 22.96166482 +1 0.1676 H( 1362 MET* 50) 11.19686817 +1 25.45442636 +1 22.89654832 +1 0.3396 H( 1363 MET* 50) 12.92097757 +1 25.83262031 +1 20.57800795 +1 0.1781 H( 1364 MET 50) 13.70875826 +1 23.45024616 +1 21.40992909 +1 0.1593 H( 1365 MET 50) 12.53617547 +1 23.60779359 +1 22.71968505 +1 0.1880 H( 1366 MET 50) 14.99102646 +1 25.41374406 +1 22.17398649 +1 0.1649 H( 1367 MET 50) 13.68135306 +1 25.90322773 +1 23.29719548 +1 0.1702 H( 1368 MET 50) 16.39800728 +1 22.29231593 +1 24.02536651 +1 0.1739 H( 1369 MET 50) 14.93214069 +1 21.97288981 +1 23.06324904 +1 0.1714 H( 1370 MET 50) 16.18999355 +1 23.07037657 +1 22.43245928 +1 0.1702 H( 1371 ASP* 51) 10.34158105 +1 23.33524542 +1 21.34534732 +1 0.3302 H( 1372 ASP* 51) 10.67498107 +1 21.83941817 +1 18.92585543 +1 0.2089 H( 1373 ASP 51) 8.23802821 +1 22.43232818 +1 20.77025525 +1 0.2030 H( 1374 ASP 51) 8.10793408 +1 21.38812514 +1 19.33897673 +1 0.2024 H( 1375 ASP 51) 9.05026911 +1 19.30593432 +1 22.27422909 +1 0.3773 H( 1376 GLN* 52) 8.81886887 +1 24.94267504 +1 19.52051037 +1 0.3301 H( 1377 GLN* 52) 7.71261245 +1 24.77050123 +1 16.75530688 +1 0.1917 H( 1378 GLN 52) 7.59048705 +1 26.88246047 +1 19.04916485 +1 0.1776 H( 1379 GLN 52) 6.84626543 +1 27.11771493 +1 17.46807756 +1 0.1778 H( 1380 GLN 52) 6.24492077 +1 24.58122898 +1 19.09644876 +1 0.1714 H( 1381 GLN 52) 5.29161533 +1 25.27703899 +1 17.77124235 +1 0.1768 H( 1382 GLN 52) 4.68630794 +1 24.63791260 +1 20.78010944 +1 0.2691 H( 1383 GLN 52) 3.89847917 +1 26.06266069 +1 21.29994654 +1 0.2723 H( 1384 ARG* 53) 10.76263086 +1 25.72058953 +1 18.07856198 +1 0.3223 H( 1385 ARG* 53) 12.57516223 +1 26.40075196 +1 17.09284065 +1 0.1807 H( 1386 ARG 53) 12.55329774 +1 26.59028473 +1 14.47344401 +1 0.1496 H( 1387 ARG 53) 10.85952137 +1 26.08935563 +1 14.54457778 +1 0.1733 H( 1388 ARG 53) 13.36807891 +1 24.49597070 +1 15.36712032 +1 0.1426 H( 1389 ARG 53) 11.81560203 +1 24.06575318 +1 16.06815111 +1 0.1726 H( 1390 ARG 53) 12.25833821 +1 24.31076500 +1 13.00234074 +1 0.1005 H( 1391 ARG 53) 10.79266909 +1 23.72252670 +1 13.81707585 +1 0.1553 H( 1392 ARG 53) 13.42078982 +1 22.32775619 +1 13.51583153 +1 0.2945 H( 1393 ARG 53) 10.45423297 +1 20.64438432 +1 15.68738956 +1 0.2819 H( 1394 ARG 53) 10.52423908 +1 22.34160298 +1 15.65904626 +1 0.2866 H( 1395 ARG 53) 13.28241903 +1 20.03325638 +1 13.75641129 +1 0.2723 H( 1396 SER* 54) 9.72661059 +1 28.48618755 +1 16.53770223 +1 0.3177 H( 1397 SER* 54) 11.29608910 +1 30.66517065 +1 15.38633369 +1 0.1836 H( 1398 SER 54) 9.13067918 +1 31.95280480 +1 15.87834103 +1 0.1561 H( 1399 SER 54) 8.45775036 +1 30.48311491 +1 16.66851746 +1 0.1589 H( 1400 SER 54) 8.66813154 +1 29.46188671 +1 14.57660191 +1 0.3334 H( 1401 SER* 55) 11.73967844 +1 32.72321949 +1 16.48352826 +1 0.3047 H( 1402 SER* 55) 12.51412750 +1 32.38263538 +1 19.34374294 +1 0.2022 H( 1403 SER 55) 13.93417390 +1 33.72405226 +1 17.80755013 +1 0.1447 H( 1404 SER 55) 13.21514353 +1 34.77124035 +1 19.09631188 +1 0.1673 H( 1405 SER 55) 13.13719261 +1 35.36957579 +1 16.63531581 +1 0.3349 H( 1406 VAL* 56) 11.60034031 +1 33.81064371 +1 21.02374856 +1 0.3207 H( 1407 VAL* 56) 8.89499281 +1 34.86398638 +1 20.24887494 +1 0.1949 H( 1408 VAL 56) 7.93496823 +1 34.11929643 +1 22.39253908 +1 0.1061 H( 1409 VAL 56) 8.98631215 +1 31.79350899 +1 20.63611729 +1 0.1754 H( 1410 VAL 56) 7.56273116 +1 31.73332464 +1 21.66951065 +1 0.1683 H( 1411 VAL 56) 7.59965952 +1 32.79117252 +1 20.26235435 +1 0.1776 H( 1412 VAL 56) 10.49518459 +1 32.40617138 +1 22.71616471 +1 0.1751 H( 1413 VAL 56) 9.03717639 +1 32.25642227 +1 23.69535322 +1 0.1455 H( 1414 VAL 56) 10.00489847 +1 33.74881418 +1 23.75372887 +1 0.1515 H( 1415 LEU* 57) 8.22249913 +1 36.67975833 +1 21.46161817 +1 0.2924 H( 1416 LEU* 57) 10.17944439 +1 37.73466096 +1 23.49490015 +1 0.1925 H( 1417 LEU 57) 10.56748161 +1 38.85757959 +1 21.38950535 +1 0.1939 H( 1418 LEU 57) 8.84733228 +1 39.14749945 +1 21.10084832 +1 0.1598 H( 1419 LEU 57) 8.75054132 +1 40.71177941 +1 23.06724267 +1 0.1081 H( 1420 LEU 57) 11.81530357 +1 40.33784467 +1 23.13955598 +1 0.1622 H( 1421 LEU 57) 10.67626060 +1 39.85351578 +1 24.40718721 +1 0.1488 H( 1422 LEU 57) 10.89873084 +1 41.56606169 +1 24.02575825 +1 0.1559 H( 1423 LEU 57) 10.84279505 +1 41.32129295 +1 20.87172172 +1 0.1681 H( 1424 LEU 57) 9.10260931 +1 41.52684887 +1 20.73401625 +1 0.1549 H( 1425 LEU 57) 10.01978771 +1 42.52939521 +1 21.86158019 +1 0.1485 H( 1426 GLU* 58) 9.07133756 +1 38.00112442 +1 25.40408114 +1 0.3318 H( 1427 GLU* 58) 6.10357267 +1 38.62310695 +1 25.20519032 +1 0.1933 H( 1428 GLU 58) 7.75137601 +1 37.10221704 +1 27.34716211 +1 0.1644 H( 1429 GLU 58) 6.08842241 +1 37.68493177 +1 27.58724058 +1 0.1742 H( 1430 GLU 58) 6.88867574 +1 35.78611460 +1 25.29266325 +1 0.1717 H( 1431 GLU 58) 6.35620014 +1 35.23234978 +1 26.88423654 +1 0.2072 H( 1432 GLU 58) 4.94078525 +1 34.70987826 +1 24.49737564 +1 0.3724 H( 1433 SER* 59) 5.98890560 +1 40.84527706 +1 25.45367760 +1 0.3249 H( 1434 SER* 59) 8.16906913 +1 42.24703958 +1 26.94574072 +1 0.1899 H( 1435 SER 59) 7.43849182 +1 43.27919842 +1 24.85200708 +1 0.1471 H( 1436 SER 59) 6.75930649 +1 44.29137734 +1 26.18169193 +1 0.1698 H( 1437 SER 59) 5.30937167 +1 42.53237477 +1 24.49057367 +1 0.3335 H( 1438 ASP* 60) 4.85129529 +1 41.12994744 +1 27.65148951 +1 0.2922 H( 1439 ASP* 60) 5.24639229 +1 42.36133808 +1 30.37994098 +1 0.2019 H( 1440 ASP 60) 3.62230038 +1 43.70114410 +1 28.90025920 +1 0.2017 H( 1441 ASP 60) 2.56841475 +1 42.26445103 +1 28.80971591 +1 0.2075 H( 1442 ASP 60) 0.97506688 +1 43.05541320 +1 31.77290116 +1 0.4209 H( 1443 ALA* 61) 6.09526698 +1 40.15721623 +1 30.81416542 +1 0.3144 H( 1444 ALA* 61) 4.35693640 +1 37.82481226 +1 30.21956295 +1 0.1967 H( 1445 ALA 61) 7.00359337 +1 38.11159298 +1 31.85099139 +1 0.1695 H( 1446 ALA 61) 6.87094347 +1 37.67027332 +1 30.12589741 +1 0.1615 H( 1447 ALA 61) 6.21927866 +1 36.59564439 +1 31.37715392 +1 0.1864 H( 1448 LYS* 62) 5.14582655 +1 39.84004422 +1 33.15321362 +1 0.3362 H( 1449 LYS* 62) 4.24012990 +1 39.94370627 +1 35.16386876 +1 0.1873 H( 1450 LYS 62) 2.07835795 +1 37.91500559 +1 34.22323396 +1 0.1746 H( 1451 LYS 62) 2.04759080 +1 38.87614083 +1 35.72214311 +1 0.1433 H( 1452 LYS 62) 2.04266335 +1 40.01678791 +1 32.85012948 +1 0.1668 H( 1453 LYS 62) 1.96624042 +1 40.99293399 +1 34.31991702 +1 0.1297 H( 1454 LYS 62) -0.07497349 +1 38.74415431 +1 33.76130994 +1 0.1551 H( 1455 LYS 62) -0.23383491 +1 40.05679405 +1 34.92851775 +1 0.1328 H( 1456 LYS 62) -0.11610531 +1 40.33509918 +1 31.83751332 +1 0.1685 H( 1457 LYS 62) -1.59384639 +1 40.42652441 +1 32.82721635 +1 0.1198 H( 1458 LYS 62) 0.15943142 +1 42.31132095 +1 33.89128439 +1 0.2155 H( 1459 LYS 62) -1.11408948 +1 42.61768023 +1 32.92972657 +1 0.2067 H( 1460 SER* 63) 3.88944808 +1 36.44888766 +1 33.97533929 +1 0.3606 H( 1461 SER* 63) 5.92095045 +1 35.73396189 +1 36.09929741 +1 0.1963 H( 1462 SER 63) 3.57911620 +1 35.46130679 +1 37.11648997 +1 0.1334 H( 1463 SER 63) 3.21223048 +1 34.23059678 +1 35.84520279 +1 0.1594 H( 1464 SER 63) 5.24693781 +1 34.03505240 +1 37.85151246 +1 0.3548 H( 1465 VAL* 64) 7.03526466 +1 33.77125385 +1 35.54429943 +1 0.3277 H( 1466 VAL* 64) 6.18068985 +1 32.42924250 +1 33.02725182 +1 0.1884 H( 1467 VAL 64) 7.63820908 +1 34.35806992 +1 32.31271644 +1 0.1370 H( 1468 VAL 64) 10.08759679 +1 34.29068644 +1 32.77119530 +1 0.1483 H( 1469 VAL 64) 9.92654066 +1 32.84515268 +1 33.76771738 +1 0.1613 H( 1470 VAL 64) 9.21714369 +1 34.36108285 +1 34.31728829 +1 0.1649 H( 1471 VAL 64) 8.98509924 +1 33.00325803 +1 30.77025159 +1 0.1658 H( 1472 VAL 64) 8.95046762 +1 31.59074746 +1 31.81716908 +1 0.1656 H( 1473 VAL 64) 7.46474403 +1 32.15347780 +1 31.03456188 +1 0.1625 H( 1474 GLN* 65) 7.13355329 +1 30.31182014 +1 32.87552541 +1 0.3166 H( 1475 GLN* 65) 8.77691094 +1 29.50503044 +1 35.29651405 +1 0.2177 H( 1476 GLN 65) 8.35866844 +1 27.17046615 +1 34.40222656 +1 0.1660 H( 1477 GLN 65) 7.25365636 +1 27.81912784 +1 33.17553279 +1 0.1580 H( 1478 GLN 65) 6.90644558 +1 28.30061736 +1 36.20697006 +1 0.1958 H( 1479 GLN 65) 5.74259078 +1 28.72085685 +1 34.96661499 +1 0.2109 H( 1480 GLN 65) 4.47558783 +1 27.26523562 +1 36.65140581 +1 0.3110 H( 1481 GLN 65) 4.38063548 +1 25.59172259 +1 36.27272474 +1 0.2814 H( 1482 LEU* 66) 10.91358913 +1 29.75425048 +1 34.83171596 +1 0.3321 H( 1483 LEU* 66) 11.90216513 +1 29.13014935 +1 32.02226336 +1 0.1928 H( 1484 LEU 66) 14.06988254 +1 29.92533786 +1 32.97461804 +1 0.1796 H( 1485 LEU 66) 13.33740668 +1 30.20969762 +1 34.55852628 +1 0.1487 H( 1486 LEU 66) 11.75562651 +1 31.90622476 +1 33.53214080 +1 0.1147 H( 1487 LEU 66) 14.77605811 +1 32.42837845 +1 33.12997704 +1 0.1629 H( 1488 LEU 66) 13.88124090 +1 32.62176514 +1 34.63599678 +1 0.1563 H( 1489 LEU 66) 13.53340459 +1 33.66114498 +1 33.25935765 +1 0.1594 H( 1490 LEU 66) 13.43244934 +1 31.41115826 +1 30.98893427 +1 0.1541 H( 1491 LEU 66) 11.69796018 +1 31.14283702 +1 31.19547562 +1 0.1552 H( 1492 LEU 66) 12.34568425 +1 32.78355165 +1 31.23111250 +1 0.1505 H( 1493 VAL* 67) 12.09438832 +1 28.16309546 +1 35.54418699 +1 0.3239 H( 1494 VAL* 67) 13.41438978 +1 25.57145649 +1 34.68752230 +1 0.2145 H( 1495 VAL 67) 12.76519066 +1 26.86074425 +1 37.45523028 +1 0.1302 H( 1496 VAL 67) 14.09340560 +1 24.16223153 +1 36.71798310 +1 0.1758 H( 1497 VAL 67) 12.64639325 +1 24.41972421 +1 37.70390321 +1 0.1582 H( 1498 VAL 67) 14.22417066 +1 24.92468995 +1 38.31223270 +1 0.1659 H( 1499 VAL 67) 15.45104706 +1 26.40999802 +1 35.98340066 +1 0.1584 H( 1500 VAL 67) 14.66314718 +1 27.97043625 +1 36.24148284 +1 0.1523 H( 1501 VAL 67) 15.26112776 +1 27.05488240 +1 37.62163329 +1 0.1706 H( 1502 ASN* 68) 12.10478088 +1 23.69103790 +1 34.75697067 +1 0.3413 H( 1503 ASN* 68) 9.33087959 +1 24.16445162 +1 34.30256197 +1 0.1776 H( 1504 ASN 68) 10.83605294 +1 22.08785405 +1 33.67890627 +1 0.2472 H( 1505 ASN 68) 10.46445434 +1 21.46366107 +1 35.28622024 +1 0.2003 H( 1506 ASN 68) 9.09028148 +1 19.71297514 +1 34.48227296 +1 0.2882 H( 1507 ASN 68) 7.59899116 +1 19.99643099 +1 33.70213987 +1 0.2786 H( 1508 GLY* 69) 7.51506668 +1 24.28473562 +1 35.49756212 +1 0.3267 H( 1509 GLY* 69) 7.33679447 +1 23.11840203 +1 38.21703147 +1 0.2054 H( 1510 GLY* 69) 6.08663344 +1 24.00072348 +1 37.30091614 +1 0.1925 H( 1511 ILE* 70) 9.12514715 +1 25.84339675 +1 37.36992512 +1 0.3337 H( 1512 ILE* 70) 8.38771144 +1 26.96149953 +1 40.04740708 +1 0.1873 H( 1513 ILE 70) 10.84293845 +1 27.40569414 +1 38.22122042 +1 0.1385 H( 1514 ILE 70) 12.04859624 +1 26.06082888 +1 39.88031390 +1 0.1558 H( 1515 ILE 70) 10.73943039 +1 25.11595852 +1 39.15607705 +1 0.1465 H( 1516 ILE 70) 11.79426804 +1 28.54485743 +1 40.26019168 +1 0.1830 H( 1517 ILE 70) 10.24873004 +1 28.41454813 +1 41.09586466 +1 0.1564 H( 1518 ILE 70) 10.38605640 +1 29.42304614 +1 39.64211384 +1 0.1461 H( 1519 ILE 70) 10.88933006 +1 24.72107662 +1 41.61038942 +1 0.1520 H( 1520 ILE 70) 9.33752172 +1 25.48602880 +1 41.24607735 +1 0.1428 H( 1521 ILE 70) 10.66572339 +1 26.42871441 +1 41.95438282 +1 0.1499 H( 1522 ASP* 71) 6.71874972 +1 28.37929230 +1 39.81025894 +1 0.2943 H( 1523 ASP* 71) 6.47361963 +1 30.22950191 +1 37.52091341 +1 0.2139 H( 1524 ASP 71) 5.14947646 +1 30.20556547 +1 40.33597168 +1 0.1941 H( 1525 ASP 71) 4.79552387 +1 31.36181223 +1 39.06431871 +1 0.2356 H( 1526 ASP 71) 3.30053600 +1 28.87808656 +1 40.25306340 +1 0.3749 H( 1527 GLU* 72) 7.70019876 +1 32.02193646 +1 37.26569079 +1 0.3461 H( 1528 GLU* 72) 8.87938655 +1 33.26295678 +1 39.77342880 +1 0.1789 H( 1529 GLU 72) 10.51266710 +1 34.16917872 +1 37.80975066 +1 0.1743 H( 1530 GLU 72) 9.91019258 +1 32.77583961 +1 36.90435589 +1 0.1947 H( 1531 GLU 72) 11.15867587 +1 32.54878285 +1 39.74126684 +1 0.1935 H( 1532 GLU 72) 10.71758371 +1 31.21764612 +1 38.66254093 +1 0.1805 H( 1533 GLU 72) 13.86751589 +1 31.54609123 +1 37.05776669 +1 0.4017 H( 1534 ASP* 73) 8.41554194 +1 35.41076337 +1 40.03939956 +1 0.3052 H( 1535 ASP* 73) 6.52954637 +1 36.84764969 +1 38.30064641 +1 0.2094 H( 1536 ASP 73) 8.56749634 +1 37.78138247 +1 40.46037324 +1 0.1925 H( 1537 ASP 73) 7.44903433 +1 38.84032540 +1 39.60032051 +1 0.2305 H( 1538 ASP 73) 7.19496199 +1 38.65747102 +1 42.29168707 +1 0.3722 H( 1539 MET* 74) 7.04742919 +1 37.97119617 +1 36.44227471 +1 0.3319 H( 1540 MET* 74) 9.94251628 +1 38.60339695 +1 35.91933593 +1 0.1995 H( 1541 MET 74) 9.21593704 +1 36.18905537 +1 35.11857011 +1 0.1745 H( 1542 MET 74) 8.17157286 +1 36.97755570 +1 33.94802512 +1 0.1664 H( 1543 MET 74) 10.34282312 +1 36.41547577 +1 32.89703901 +1 0.1596 H( 1544 MET 74) 10.17981524 +1 38.18188914 +1 32.92712527 +1 0.1766 H( 1545 MET 74) 13.00706003 +1 35.80806825 +1 35.68785405 +1 0.1914 H( 1546 MET 74) 11.91536958 +1 35.06070771 +1 34.51108491 +1 0.1732 H( 1547 MET 74) 11.26982838 +1 35.71870603 +1 36.04171029 +1 0.1868 H( 1548 ASN* 75) 10.06630838 +1 40.52556135 +1 34.67329622 +1 0.3110 H( 1549 ASN* 75) 7.45646945 +1 41.81509105 +1 34.01445905 +1 0.2102 H( 1550 ASN 75) 10.36924952 +1 42.76957625 +1 33.26723751 +1 0.2144 H( 1551 ASN 75) 9.65960553 +1 43.04227833 +1 34.86205213 +1 0.2123 H( 1552 ASN 75) 7.01945790 +1 43.81157315 +1 34.47331507 +1 0.2867 H( 1553 ASN 75) 6.88575232 +1 45.13399860 +1 33.37251634 +1 0.3189 H( 1554 SER* 76) 10.43663066 +1 40.58579080 +1 32.18071023 +1 0.3296 H( 1555 SER* 76) 8.55287881 +1 39.71993454 +1 30.03156710 +1 0.2027 H( 1556 SER 76) 9.85163471 +1 41.13287248 +1 28.30905080 +1 0.1670 H( 1557 SER 76) 8.75261064 +1 42.05344667 +1 29.41487223 +1 0.1684 H( 1558 SER 76) 10.71335576 +1 42.67199967 +1 30.60416464 +1 0.3734 H( 1559 TYR* 77) 9.79850343 +1 38.66267347 +1 28.22300402 +1 0.3420 H( 1560 TYR* 77) 12.67063213 +1 38.09030363 +1 28.78708671 +1 0.1871 H( 1561 TYR 77) 12.45492147 +1 35.71391337 +1 29.06310620 +1 0.1635 H( 1562 TYR 77) 11.52213876 +1 36.51318889 +1 30.33076584 +1 0.1696 H( 1563 TYR 77) 11.32411541 +1 34.38529931 +1 27.30140382 +1 0.1479 H( 1564 TYR 77) 9.01632832 +1 36.39655767 +1 30.32531713 +1 0.1472 H( 1565 TYR 77) 9.34739675 +1 33.06550089 +1 26.66967002 +1 0.1797 H( 1566 TYR 77) 7.03166384 +1 35.04854849 +1 29.68952199 +1 0.1918 H( 1567 TYR 77) 7.13339055 +1 32.72003822 +1 26.92707260 +1 0.3604 H( 1568 THR* 78) 13.60212600 +1 36.75984653 +1 27.00203484 +1 0.3433 H( 1569 THR* 78) 11.72366465 +1 36.38642348 +1 24.65937074 +1 0.2161 H( 1570 THR 78) 12.61697782 +1 38.60396771 +1 24.25996710 +1 0.1470 H( 1571 THR 78) 13.91831221 +1 36.68665298 +1 22.58290120 +1 0.3230 H( 1572 THR 78) 15.40665551 +1 37.25819911 +1 24.70666137 +1 0.1817 H( 1573 THR 78) 14.76669566 +1 38.64223718 +1 25.59089813 +1 0.1736 H( 1574 THR 78) 15.19432797 +1 38.78961561 +1 23.86568804 +1 0.1780 H( 1575 VAL* 79) 12.46129469 +1 34.71145521 +1 23.25595344 +1 0.3376 H( 1576 VAL* 79) 14.77093191 +1 33.10293764 +1 24.40752305 +1 0.2125 H( 1577 VAL 79) 12.00273345 +1 31.94613377 +1 23.58399948 +1 0.1299 H( 1578 VAL 79) 14.59511726 +1 30.61832323 +1 24.65276823 +1 0.1689 H( 1579 VAL 79) 13.03360883 +1 29.80777371 +1 24.54795539 +1 0.1700 H( 1580 VAL 79) 13.83226221 +1 30.35568785 +1 23.07785034 +1 0.1601 H( 1581 VAL 79) 13.29480364 +1 32.31597719 +1 26.37349367 +1 0.1639 H( 1582 VAL 79) 11.87283260 +1 31.31791168 +1 26.04985124 +1 0.1651 H( 1583 VAL 79) 11.80205137 +1 33.06161138 +1 25.78400105 +1 0.1502 H( 1584 GLY* 80) 16.10794918 +1 32.31841873 +1 22.83958960 +1 0.3388 H( 1585 GLY* 80) 16.78691102 +1 32.73555665 +1 20.47943641 +1 0.1967 H( 1586 GLY* 80) 15.13237485 +1 32.39110663 +1 19.95286012 +1 0.2007 H( 1587 PRO* 81) 15.94297498 +1 27.91989269 +1 21.02305988 +1 0.1775 H( 1588 PRO 81) 14.73199721 +1 27.81135623 +1 18.17423685 +1 0.1813 H( 1589 PRO 81) 14.45565809 +1 26.71681602 +1 19.54094468 +1 0.1554 H( 1590 PRO 81) 13.03292227 +1 28.35180904 +1 20.67489553 +1 0.1450 H( 1591 PRO 81) 12.59530887 +1 28.59210706 +1 18.98827459 +1 0.1869 H( 1592 PRO 81) 14.03146959 +1 30.51210811 +1 18.71188333 +1 0.1649 H( 1593 PRO 81) 13.50458775 +1 30.72071933 +1 20.42149229 +1 0.1486 H( 1594 ILE* 82) 17.73368752 +1 26.71363652 +1 20.43417319 +1 0.3403 H( 1595 ILE* 82) 19.44469907 +1 27.85768817 +1 18.21478659 +1 0.1793 H( 1596 ILE 82) 20.02984669 +1 25.71640935 +1 20.38853299 +1 0.1433 H( 1597 ILE 82) 20.96031093 +1 28.66649576 +1 20.20858167 +1 0.1321 H( 1598 ILE 82) 19.63841600 +1 28.11907030 +1 21.24123160 +1 0.1481 H( 1599 ILE 82) 22.38733757 +1 25.98559683 +1 19.64435291 +1 0.1571 H( 1600 ILE 82) 21.40411639 +1 25.50493973 +1 18.26510730 +1 0.1565 H( 1601 ILE 82) 21.93709248 +1 27.18994473 +1 18.43840150 +1 0.1749 H( 1602 ILE 82) 22.56934484 +1 27.19880578 +1 21.49219776 +1 0.1383 H( 1603 ILE 82) 21.22977954 +1 26.59245544 +1 22.48739228 +1 0.1575 H( 1604 ILE 82) 21.69145997 +1 28.28655824 +1 22.57566247 +1 0.1510 H( 1605 VAL* 83) 18.78444573 +1 26.94780953 +1 16.29629538 +1 0.3182 H( 1606 VAL* 83) 18.03569118 +1 24.00412226 +1 16.36221087 +1 0.2072 H( 1607 VAL 83) 17.26302938 +1 26.28032555 +1 14.39655780 +1 0.1291 H( 1608 VAL 83) 17.32280114 +1 24.08074383 +1 13.23701683 +1 0.1612 H( 1609 VAL 83) 16.39696752 +1 23.30980442 +1 14.54126799 +1 0.1726 H( 1610 VAL 83) 15.64075649 +1 24.53680774 +1 13.51945890 +1 0.1443 H( 1611 VAL 83) 16.15259020 +1 26.51880322 +1 16.63698805 +1 0.1660 H( 1612 VAL 83) 15.60682040 +1 24.83451474 +1 16.58364724 +1 0.1651 H( 1613 VAL 83) 14.98765297 +1 26.02010578 +1 15.42727934 +1 0.1679 H( 1614 ALA* 84) 19.54674521 +1 22.64910975 +1 15.55310113 +1 0.3472 H( 1615 ALA* 84) 21.42203868 +1 23.78618645 +1 13.43936661 +1 0.1817 H( 1616 ALA 84) 23.13089294 +1 22.23601863 +1 14.33491707 +1 0.1739 H( 1617 ALA 84) 22.03271390 +1 21.64055096 +1 15.59054120 +1 0.1811 H( 1618 ALA 84) 22.59021021 +1 23.32152363 +1 15.61954483 +1 0.1689 H( 1619 ASN* 85) 21.29741280 +1 22.73867355 +1 11.52009843 +1 0.3267 H( 1620 ASN* 85) 20.42691647 +1 21.41015129 +1 9.90171823 +1 0.1768 H( 1621 ASN 85) 20.90520921 +1 19.11012602 +1 11.90093348 +1 0.2028 H( 1622 ASN 85) 20.84834822 +1 18.99313539 +1 10.14876563 +1 0.2041 H( 1623 ASN 85) 24.44722460 +1 19.54369986 +1 11.72161463 +1 0.2821 H( 1624 ASN 85) 23.11332534 +1 18.80715268 +1 12.49550890 +1 0.2744 H( 1625 GLY* 86) 18.32391361 +1 22.61901272 +1 11.36706344 +1 0.3082 H( 1626 GLY* 86) 16.14695167 +1 20.74502038 +1 10.76649719 +1 0.2070 H( 1627 GLY* 86) 16.03231629 +1 22.44052594 +1 11.32351234 +1 0.1853 H( 1628 ASP* 87) 18.09478246 +1 20.68466330 +1 13.51895996 +1 0.3176 H( 1629 ASP* 87) 15.72269729 +1 19.68607930 +1 15.08461986 +1 0.2150 H( 1630 ASP 87) 18.76961796 +1 19.04606937 +1 15.19916952 +1 0.2120 H( 1631 ASP 87) 17.53294116 +1 18.07999887 +1 14.36360037 +1 0.2042 H( 1632 ASP 87) 18.20677881 +1 17.12388851 +1 18.06841900 +1 0.4020 H( 1633 PRO* 88) 16.76843080 +1 23.11918942 +1 17.90787503 +1 0.1722 H( 1634 PRO 88) 14.84929965 +1 21.65326996 +1 19.76195242 +1 0.1561 H( 1635 PRO 88) 14.77265011 +1 23.32418932 +1 19.17762181 +1 0.1529 H( 1636 PRO 88) 13.66311009 +1 22.70878040 +1 17.16171438 +1 0.1586 H( 1637 PRO 88) 13.04342308 +1 21.45939914 +1 18.21835463 +1 0.1659 H( 1638 PRO 88) 14.63385640 +1 19.78207436 +1 17.43279644 +1 0.1800 H( 1639 PRO 88) 14.35166504 +1 20.71919495 +1 15.94006020 +1 0.1858 H( 1640 ILE* 89) 18.68631530 +1 22.92073663 +1 18.99856378 +1 0.3257 H( 1641 ILE* 89) 19.05586724 +1 20.47635021 +1 20.73866897 +1 0.1947 H( 1642 ILE 89) 21.46606535 +1 20.92057328 +1 20.42255984 +1 0.1149 H( 1643 ILE 89) 21.09862781 +1 23.48760952 +1 19.96687783 +1 0.1331 H( 1644 ILE 89) 20.69711494 +1 23.04197549 +1 18.31021053 +1 0.1486 H( 1645 ILE 89) 21.57848082 +1 19.97315395 +1 18.19806959 +1 0.1503 H( 1646 ILE 89) 19.94993896 +1 19.52870125 +1 18.73858849 +1 0.1955 H( 1647 ILE 89) 20.15189644 +1 20.84854787 +1 17.62494865 +1 0.1802 H( 1648 ILE 89) 23.38677049 +1 22.44547368 +1 19.71154853 +1 0.1394 H( 1649 ILE 89) 22.98867960 +1 21.97895172 +1 18.05862072 +1 0.1581 H( 1650 ILE 89) 23.08953058 +1 23.68725332 +1 18.49196272 +1 0.1435 H( 1651 GLY* 90) 18.20289352 +1 23.77246622 +1 21.06042071 +1 0.3238 H( 1652 GLY* 90) 20.00673936 +1 24.49070626 +1 23.26640914 +1 0.2073 H( 1653 GLY* 90) 18.48890447 +1 23.82068724 +1 23.87320130 +1 0.2274 H( 1654 ALA* 91) 18.90153150 +1 26.37302598 +1 24.56746189 +1 0.3595 H( 1655 ALA* 91) 17.83846474 +1 28.19092851 +1 22.40114595 +1 0.1707 H( 1656 ALA 91) 16.38157769 +1 27.62970106 +1 25.08829614 +1 0.2202 H( 1657 ALA 91) 15.83396664 +1 27.12378159 +1 23.50175559 +1 0.1853 H( 1658 ALA 91) 15.92388368 +1 28.86297195 +1 23.87770878 +1 0.1514 H( 1659 VAL* 92) 17.97133147 +1 30.42315508 +1 22.98346007 +1 0.3293 H( 1660 VAL* 92) 19.79437523 +1 30.94240647 +1 25.35821244 +1 0.2001 H( 1661 VAL 92) 19.31219558 +1 32.56263384 +1 22.73814853 +1 0.1416 H( 1662 VAL 92) 21.23846195 +1 33.94707196 +1 23.61100108 +1 0.1524 H( 1663 VAL 92) 21.24408933 +1 33.02762691 +1 25.11774286 +1 0.1623 H( 1664 VAL 92) 19.85032138 +1 34.02724752 +1 24.69646304 +1 0.1580 H( 1665 VAL 92) 21.74903171 +1 30.87319081 +1 23.62906540 +1 0.1570 H( 1666 VAL 92) 20.64408645 +1 30.50159049 +1 22.30006783 +1 0.1676 H( 1667 VAL 92) 21.67986155 +1 31.92206203 +1 22.20077408 +1 0.1516 H( 1668 VAL* 93) 18.86634159 +1 32.25855938 +1 26.94180621 +1 0.3402 H( 1669 VAL* 93) 16.16170277 +1 33.45626008 +1 26.24868623 +1 0.2128 H( 1670 VAL 93) 17.15927991 +1 32.21514707 +1 28.92753849 +1 0.1314 H( 1671 VAL 93) 15.56582374 +1 34.05013377 +1 29.34611922 +1 0.1514 H( 1672 VAL 93) 14.69410345 +1 32.53129589 +1 29.54604011 +1 0.1609 H( 1673 VAL 93) 14.46847231 +1 33.48904851 +1 28.07685380 +1 0.1675 H( 1674 VAL 93) 16.72862867 +1 30.40990716 +1 27.30561347 +1 0.1764 H( 1675 VAL 93) 15.38940502 +1 30.46608418 +1 28.44392644 +1 0.1548 H( 1676 VAL 93) 15.18880142 +1 31.11942528 +1 26.81399628 +1 0.1623 H( 1677 ILE* 94) 16.00599198 +1 35.62739747 +1 26.82310909 +1 0.3327 H( 1678 ILE* 94) 18.06208873 +1 36.62376604 +1 28.83953282 +1 0.2183 H( 1679 ILE 94) 16.98977502 +1 38.15273243 +1 26.35800734 +1 0.1306 H( 1680 ILE 94) 19.82864332 +1 37.23776870 +1 27.18465606 +1 0.1433 H( 1681 ILE 94) 18.84390322 +1 36.43460736 +1 25.96460598 +1 0.1385 H( 1682 ILE 94) 18.85969776 +1 39.01020609 +1 28.67895984 +1 0.1766 H( 1683 ILE 94) 17.22577765 +1 39.62659037 +1 28.40191796 +1 0.1667 H( 1684 ILE 94) 18.50769022 +1 39.97293303 +1 27.23996433 +1 0.1574 H( 1685 ILE 94) 20.43429224 +1 37.85868960 +1 24.81031116 +1 0.1441 H( 1686 ILE 94) 18.85080013 +1 38.61740389 +1 24.59761369 +1 0.1544 H( 1687 ILE 94) 20.00303028 +1 39.27940247 +1 25.77234453 +1 0.1503 H( 1688 PHE* 95) 17.02376764 +1 37.73471700 +1 30.54184496 +1 0.3402 H( 1689 PHE* 95) 14.11551101 +1 38.40390438 +1 30.11983796 +1 0.1894 H( 1690 PHE 95) 14.15814873 +1 35.99712428 +1 30.76307324 +1 0.1666 H( 1691 PHE 95) 13.32276743 +1 37.03179353 +1 31.92768189 +1 0.1832 H( 1692 PHE 95) 14.40568030 +1 37.55530117 +1 34.15359014 +1 0.1654 H( 1693 PHE 95) 16.17957397 +1 34.76799441 +1 31.40387501 +1 0.1530 H( 1694 PHE 95) 15.75499515 +1 36.59821538 +1 35.99578131 +1 0.1414 H( 1695 PHE 95) 17.55395731 +1 33.84020058 +1 33.22151878 +1 0.1575 H( 1696 PHE 95) 17.35258612 +1 34.74940291 +1 35.53866120 +1 0.1607 H( 1697 SER* 96) 13.17348142 +1 39.50660543 +1 32.07409571 +1 0.3416 H( 1698 SER* 96) 15.23102988 +1 40.54685986 +1 33.99554368 +1 0.1771 H( 1699 SER 96) 15.29194650 +1 42.10599301 +1 31.99305624 +1 0.1470 H( 1700 SER 96) 13.52761618 +1 42.46096497 +1 32.23180300 +1 0.1771 H( 1701 SER 96) 15.73838571 +1 43.30671083 +1 33.81278783 +1 0.3910 H( 1702 LYS* 97) 14.30962841 +1 40.99984906 +1 35.93464229 +1 0.3137 H( 1703 LYS* 97) 11.41775845 +1 40.39128568 +1 36.27136759 +1 0.1956 H( 1704 LYS 97) 13.63206554 +1 41.36952917 +1 38.23028098 +1 0.1428 H( 1705 LYS 97) 11.96572207 +1 40.98673230 +1 38.66279590 +1 0.1816 H( 1706 LYS 97) 14.23552551 +1 39.11250248 +1 37.94146447 +1 0.1231 H( 1707 LYS 97) 12.66849117 +1 38.65161795 +1 37.28232318 +1 0.1626 H( 1708 LYS 97) 13.16059364 +1 39.32603499 +1 40.25375560 +1 0.1306 H( 1709 LYS 97) 11.60505316 +1 38.85399162 +1 39.54289057 +1 0.1599 H( 1710 LYS 97) 14.16691571 +1 37.10898311 +1 39.45597476 +1 0.1433 H( 1711 LYS 97) 12.88664809 +1 36.93781714 +1 40.67135540 +1 0.1056 H( 1712 LYS 97) 11.62357013 +1 35.83679446 +1 39.13039526 +1 0.2136 H( 1713 LYS 97) 11.93202354 +1 36.85885407 +1 37.91425225 +1 0.2429 H( 1714 ASP* 98) 13.41639056 +1 43.34842076 +1 35.72508682 +1 0.3253 H( 1715 ASP* 98) 10.91076319 +1 44.90978299 +1 36.45167430 +1 0.2223 H( 1716 ASP 98) 12.58038301 +1 45.10464028 +1 38.25969583 +1 0.1988 H( 1717 ASP 98) 12.36252789 +1 46.63695124 +1 37.40811962 +1 0.2120 H( 1718 ASP 98) 15.95824542 +1 46.47983273 +1 37.63417451 +1 0.3913 H( 1719 GLN* 99) 13.43687524 +1 44.34609513 +1 33.95842779 +1 0.3345 H( 1720 GLN* 99) 12.49922892 +1 46.94501254 +1 32.73968506 +1 0.1909 H( 1721 GLN 99) 14.99163688 +1 45.15038267 +1 32.25329457 +1 0.1778 H( 1722 GLN 99) 14.53232792 +1 46.49285428 +1 31.19179139 +1 0.1388 H( 1723 GLN 99) 15.21194106 +1 46.62125500 +1 34.20766067 +1 0.2118 H( 1724 GLN 99) 14.60841271 +1 48.02863927 +1 33.32539814 +1 0.1733 H( 1725 GLN 99) 17.70941785 +1 48.13714396 +1 31.22302770 +1 0.2813 H( 1726 GLN 99) 16.03128596 +1 48.21389743 +1 30.96265234 +1 0.2687 H( 1727 THR*100) 12.18279994 +1 46.92533929 +1 30.34782886 +1 0.2910 H( 1728 THR*100) 10.61735282 +1 44.48721493 +1 29.67176702 +1 0.2129 H( 1729 THR 100) 10.71503211 +1 47.35631332 +1 28.39764755 +1 0.1468 H( 1730 THR 100) 8.97921513 +1 46.12728791 +1 30.31706704 +1 0.3476 H( 1731 THR 100) 9.92611838 +1 45.33916552 +1 26.83691241 +1 0.1766 H( 1732 THR 100) 8.67506922 +1 45.01995423 +1 28.05068469 +1 0.1998 H( 1733 THR 100) 8.68362994 +1 46.55678695 +1 27.20712920 +1 0.1880 H( 1734 MET*101) 11.39654231 +1 43.01372097 +1 28.27936712 +1 0.3365 H( 1735 MET*101) 13.89093322 +1 43.49281773 +1 26.74880134 +1 0.1704 H( 1736 MET 101) 13.38504923 +1 41.23645255 +1 25.81787968 +1 0.1658 H( 1737 MET 101) 11.76483630 +1 41.22862171 +1 26.52524556 +1 0.1693 H( 1738 MET 101) 13.27414074 +1 39.87416805 +1 27.91218155 +1 0.1694 H( 1739 MET 101) 12.71631269 +1 41.26972649 +1 28.85829473 +1 0.1905 H( 1740 MET 101) 15.82987751 +1 42.90111781 +1 29.94701585 +1 0.2030 H( 1741 MET 101) 14.06570649 +1 43.00069075 +1 29.77918648 +1 0.1856 H( 1742 MET 101) 15.12591363 +1 43.74738576 +1 28.55765152 +1 0.1710 H( 1743 GLY*102) 14.03594213 +1 44.09855544 +1 24.60998455 +1 0.3325 H( 1744 GLY*102) 12.67936539 +1 45.77820546 +1 23.20982811 +1 0.1820 H( 1745 GLY*102) 11.41976325 +1 44.51423784 +1 23.10772243 +1 0.2131 H( 1746 GLU*103) 12.76342874 +1 45.55557884 +1 20.80245700 +1 0.3079 H( 1747 GLU*103) 13.41705958 +1 43.00292504 +1 19.57139758 +1 0.2204 H( 1748 GLU 103) 14.05053665 +1 45.86742839 +1 18.52335092 +1 0.1465 H( 1749 GLU 103) 12.43266238 +1 45.12303083 +1 18.48805718 +1 0.1679 H( 1750 GLU 103) 14.93889437 +1 43.88629557 +1 17.17890340 +1 0.1959 H( 1751 GLU 103) 13.75648754 +1 44.90280323 +1 16.33692412 +1 0.1857 H( 1752 GLU 103) 13.76292979 +1 42.85895036 +1 15.02226274 +1 0.4032 H( 1753 VAL*104) 15.54697042 +1 45.55469146 +1 21.08604956 +1 0.3218 H( 1754 VAL*104) 18.02928398 +1 44.66235965 +1 19.98827018 +1 0.2000 H( 1755 VAL 104) 17.21413254 +1 45.60920064 +1 22.84779192 +1 0.1183 H( 1756 VAL 104) 20.03603644 +1 45.14217248 +1 21.66568441 +1 0.1839 H( 1757 VAL 104) 19.33838112 +1 44.36450335 +1 23.08661744 +1 0.1551 H( 1758 VAL 104) 19.70810219 +1 46.09108449 +1 23.11396553 +1 0.1634 H( 1759 VAL 104) 18.48835299 +1 47.05993227 +1 20.42626593 +1 0.1690 H( 1760 VAL 104) 16.85916382 +1 47.32274110 +1 21.07893733 +1 0.1729 H( 1761 VAL 104) 18.28431310 +1 47.76508722 +1 22.02186139 +1 0.1630 H( 1762 GLU*105) 16.22716445 +1 43.34761710 +1 22.92702677 +1 0.3280 H( 1763 GLU*105) 18.31701888 +1 41.27201620 +1 23.26934404 +1 0.1822 H( 1764 GLU 105) 16.60985438 +1 40.43177491 +1 24.97697673 +1 0.1694 H( 1765 GLU 105) 15.47170299 +1 41.70086345 +1 24.48575993 +1 0.1726 H( 1766 GLU 105) 18.32242458 +1 42.36405762 +1 25.48508610 +1 0.1821 H( 1767 GLU 105) 16.98001284 +1 42.07846297 +1 26.59882506 +1 0.2168 H( 1768 GLU 105) 18.24919856 +1 44.95332603 +1 26.55823686 +1 0.4674 H( 1769 HIS*106) 15.02876277 +1 41.52663829 +1 21.74997098 +1 0.3246 H( 1770 HIS*106) 14.60024042 +1 38.67989866 +1 21.38688136 +1 0.2203 H( 1771 HIS 106) 13.73219136 +1 41.21584588 +1 19.78277218 +1 0.1564 H( 1772 HIS 106) 12.88536453 +1 40.45595091 +1 21.15511976 +1 0.1766 H( 1773 HIS 106) 11.96478188 +1 40.63011184 +1 17.71110969 +1 0.2272 H( 1774 HIS 106) 11.56723714 +1 36.47221817 +1 18.43643970 +1 0.2187 H( 1775 HIS 106) 11.04090855 +1 38.46157396 +1 16.85738822 +1 0.2686 H( 1776 LYS*107) 16.19720727 +1 41.20589234 +1 19.18818850 +1 0.3311 H( 1777 LYS*107) 16.93297519 +1 39.06628801 +1 17.32185755 +1 0.1943 H( 1778 LYS 107) 18.52085992 +1 40.89762416 +1 16.44864453 +1 0.1612 H( 1779 LYS 107) 17.95096066 +1 41.98257588 +1 17.72395954 +1 0.1650 H( 1780 LYS 107) 16.75850906 +1 42.29566655 +1 15.51510303 +1 0.1354 H( 1781 LYS 107) 15.68124957 +1 41.99382208 +1 16.89069544 +1 0.1407 H( 1782 LYS 107) 15.64798669 +1 39.47983749 +1 16.22018971 +1 0.1610 H( 1783 LYS 107) 14.77688962 +1 40.61161824 +1 15.20440386 +1 0.1593 H( 1784 LYS 107) 17.54343732 +1 39.36209974 +1 14.66635303 +1 0.1241 H( 1785 LYS 107) 16.97998540 +1 40.76948631 +1 13.73418570 +1 0.1293 H( 1786 LYS 107) 16.39000652 +1 38.36251059 +1 12.94492634 +1 0.2164 H( 1787 LYS 107) 15.12427336 +1 38.49622942 +1 13.94234227 +1 0.2413 H( 1788 ALA*108) 18.55379095 +1 40.52403710 +1 20.24521338 +1 0.3287 H( 1789 ALA*108) 21.12158130 +1 39.38211792 +1 19.71937255 +1 0.1899 H( 1790 ALA 108) 21.43038008 +1 39.57853440 +1 22.17282025 +1 0.1741 H( 1791 ALA 108) 19.67871740 +1 39.70338360 +1 22.46170160 +1 0.1807 H( 1792 ALA 108) 20.53064950 +1 40.99724483 +1 21.59956674 +1 0.1969 H( 1793 VAL*109) 18.12019425 +1 37.82568922 +1 21.28802288 +1 0.3448 H( 1794 VAL*109) 19.73000681 +1 35.41077211 +1 21.78647791 +1 0.1843 H( 1795 VAL 109) 17.61039598 +1 34.23909723 +1 22.17818085 +1 0.1416 H( 1796 VAL 109) 18.73872693 +1 35.63200976 +1 23.98605660 +1 0.1512 H( 1797 VAL 109) 17.00122531 +1 35.44259205 +1 24.22776920 +1 0.1720 H( 1798 VAL 109) 17.64582009 +1 36.97812624 +1 23.61485514 +1 0.1736 H( 1799 VAL 109) 16.18433870 +1 36.90850378 +1 21.44689145 +1 0.1873 H( 1800 VAL 109) 16.07957641 +1 35.40950254 +1 20.54220831 +1 0.1672 H( 1801 VAL 109) 15.41436025 +1 35.48694394 +1 22.16899084 +1 0.1536 H( 1802 GLU*110) 17.71728820 +1 36.52911818 +1 18.95784674 +1 0.3293 H( 1803 GLU*110) 17.88388195 +1 33.91897668 +1 17.65754124 +1 0.2050 H( 1804 GLU 110) 17.67115563 +1 36.78785309 +1 16.44101398 +1 0.1685 H( 1805 GLU 110) 16.30493122 +1 35.83550002 +1 17.01323876 +1 0.1817 H( 1806 GLU 110) 18.24723115 +1 34.78612035 +1 14.84482350 +1 0.1827 H( 1807 GLU 110) 16.73903814 +1 34.04039257 +1 15.35106947 +1 0.2166 H( 1808 GLU 110) 17.41864590 +1 34.92745449 +1 12.73048987 +1 0.3982 H( 1809 THR*111) 20.01300696 +1 36.93967998 +1 17.51511784 +1 0.3519 H( 1810 THR*111) 21.84606374 +1 35.77905215 +1 15.61923908 +1 0.1972 H( 1811 THR 111) 22.22483015 +1 37.87330483 +1 17.93399016 +1 0.1607 H( 1812 THR 111) 21.85299192 +1 38.30896463 +1 15.14250555 +1 0.3246 H( 1813 THR 111) 24.48586090 +1 36.93743873 +1 17.16605947 +1 0.1733 H( 1814 THR 111) 24.00064221 +1 37.04901229 +1 15.47725697 +1 0.1780 H( 1815 THR 111) 24.22377829 +1 38.52074750 +1 16.43696710 +1 0.1924 H( 1816 ALA*112) 21.74419966 +1 35.62026235 +1 19.26863065 +1 0.3324 H( 1817 ALA*112) 24.30622889 +1 34.24543355 +1 19.52220351 +1 0.1787 H( 1818 ALA 112) 23.42189659 +1 33.71658234 +1 21.78230009 +1 0.1786 H( 1819 ALA 112) 21.75961304 +1 34.14424258 +1 21.32183818 +1 0.1807 H( 1820 ALA 112) 23.00508476 +1 35.39575367 +1 21.40731079 +1 0.1831 H( 1821 ALA*113) 20.81049296 +1 33.06832761 +1 19.26209575 +1 0.3370 H( 1822 ALA*113) 21.54564248 +1 30.28309851 +1 19.49511078 +1 0.1762 H( 1823 ALA 113) 19.26718528 +1 29.97122029 +1 18.31873517 +1 0.1961 H( 1824 ALA 113) 19.19774593 +1 31.02215276 +1 19.72289082 +1 0.2069 H( 1825 ALA 113) 19.15247631 +1 31.72666366 +1 18.11635084 +1 0.1798 H( 1826 GLY*114) 21.44336000 +1 32.50900424 +1 16.58409087 +1 0.3266 H( 1827 GLY*114) 22.08480097 +1 32.11624532 +1 14.41854217 +1 0.1835 H( 1828 GLY*114) 21.76405915 +1 30.37216735 +1 14.63258080 +1 0.1794 H( 1829 PHE*115) 24.09873879 +1 32.48687211 +1 16.47772387 +1 0.3216 H( 1830 PHE*115) 26.40310239 +1 31.39381764 +1 15.00817292 +1 0.1920 H( 1831 PHE 115) 26.39069086 +1 33.62995939 +1 16.16058530 +1 0.1690 H( 1832 PHE 115) 26.06288716 +1 32.88189871 +1 17.72358810 +1 0.1727 H( 1833 PHE 115) 28.57850245 +1 32.90419840 +1 14.91391606 +1 0.1542 H( 1834 PHE 115) 27.84663446 +1 32.09299062 +1 19.06219974 +1 0.1564 H( 1835 PHE 115) 31.00299848 +1 32.63807497 +1 15.28401780 +1 0.1454 H( 1836 PHE 115) 30.26917658 +1 31.87290245 +1 19.44205691 +1 0.1465 H( 1837 PHE 115) 31.85800882 +1 32.12399661 +1 17.55441239 +1 0.1463 H( 1838 LEU*116) 24.78649326 +1 30.58115218 +1 18.19991917 +1 0.3240 H( 1839 LEU*116) 26.89961728 +1 28.66231801 +1 18.85723347 +1 0.1831 H( 1840 LEU 116) 25.11432655 +1 27.85571571 +1 20.50887280 +1 0.1555 H( 1841 LEU 116) 23.96932687 +1 29.01979010 +1 19.83162955 +1 0.1645 H( 1842 LEU 116) 25.55005622 +1 30.90954568 +1 20.44570493 +1 0.1349 H( 1843 LEU 116) 24.92843861 +1 30.84111534 +1 22.85865909 +1 0.1467 H( 1844 LEU 116) 24.55049981 +1 29.11594561 +1 22.75127451 +1 0.1522 H( 1845 LEU 116) 23.59301838 +1 30.29037246 +1 21.84853829 +1 0.1591 H( 1846 LEU 116) 27.68476269 +1 29.63061422 +1 20.61587154 +1 0.1543 H( 1847 LEU 116) 27.06798975 +1 28.69227703 +1 21.98091683 +1 0.1499 H( 1848 LEU 116) 27.33665984 +1 30.43295244 +1 22.15136259 +1 0.1443 H( 1849 ALA*117) 23.90939507 +1 28.46917398 +1 16.85395063 +1 0.3229 H( 1850 ALA*117) 23.84667443 +1 25.54408024 +1 16.87419439 +1 0.1709 H( 1851 ALA*117) 25.56386102 +1 26.91238332 +1 14.64944283 +1 0.1393 H( 1852 ALA 117) 22.82664014 +1 27.59945175 +1 14.77529901 +1 0.1733 H( 1853 ALA 117) 22.32266089 +1 25.89368636 +1 14.92521312 +1 0.1785 H( 1854 ALA 117) 21.91967969 +1 27.06073091 +1 16.19258938 +1 0.1791 H( 1855 HOH 118) 28.57839630 +1 25.92044257 +1 29.53771111 +1 0.3198 H( 1856 HOH 118) 27.24149540 +1 25.17068223 +1 29.71523817 +1 0.3366 H( 1857 HOH 119) 29.01415791 +1 24.94228145 +1 24.62579484 +1 0.3330 H( 1858 HOH 119) 29.31963471 +1 25.05008303 +1 26.13371106 +1 0.3387 H( 1859 HOH 120) 32.24993069 +1 36.22811947 +1 26.86195094 +1 0.3446 H( 1860 HOH 120) 33.06974814 +1 37.52177689 +1 27.10087666 +1 0.3337 H( 1861 HOH 121) 33.62315479 +1 35.61807293 +1 28.75141903 +1 0.3538 H( 1862 HOH 121) 34.62976843 +1 35.28233010 +1 29.87757625 +1 0.3253 H( 1863 HOH 122) 30.09909060 +1 42.02311350 +1 24.73302447 +1 0.3209 H( 1864 HOH 122) 29.20215580 +1 41.66603403 +1 25.94737667 +1 0.3515 H( 1865 HOH 123) 31.61650368 +1 41.90226668 +1 26.56606162 +1 0.3416 H( 1866 HOH 123) 32.03941653 +1 41.70511963 +1 28.04140015 +1 0.3139 H( 1867 HOH 124) 20.39918611 +1 46.46884323 +1 26.33209615 +1 0.3255 H( 1868 HOH 124) 20.45269288 +1 45.78595222 +1 27.73993958 +1 0.3658 H( 1869 HOH 125) 22.75440106 +1 40.75723272 +1 28.47788933 +1 0.3339 H( 1870 HOH 125) 21.84484645 +1 39.96613550 +1 29.48226956 +1 0.3475 H( 1871 HOH 126) 25.33140199 +1 19.51280613 +1 27.16017164 +1 0.3419 H( 1872 HOH 126) 24.76494505 +1 19.59830539 +1 25.71298634 +1 0.3343 H( 1873 HOH 127) 23.17729658 +1 18.19929684 +1 30.66111474 +1 0.3347 H( 1874 HOH 127) 22.64891163 +1 19.21401601 +1 29.63672208 +1 0.3234 H( 1875 HOH 128) 20.38919840 +1 19.17697209 +1 23.35447534 +1 0.3372 H( 1876 HOH 128) 21.93420092 +1 19.07942340 +1 23.47692385 +1 0.3503 H( 1877 HOH 129) 14.69635391 +1 19.77082331 +1 25.35466339 +1 0.3321 H( 1878 HOH 129) 14.42010364 +1 19.14296528 +1 23.95995815 +1 0.3255 H( 1879 HOH 130) 21.49739827 +1 16.26344766 +1 26.92594151 +1 0.3314 H( 1880 HOH 130) 21.09644523 +1 17.55741182 +1 26.17854870 +1 0.3330 H( 1881 HOH 131) 16.55297133 +1 14.56730715 +1 28.86261272 +1 0.3221 H( 1882 HOH 131) 15.73179769 +1 15.42814898 +1 29.81613264 +1 0.3276 H( 1883 HOH 132) 15.45029744 +1 19.21101042 +1 31.28646857 +1 0.3354 H( 1884 HOH 132) 14.90482773 +1 18.50771010 +1 32.55836342 +1 0.3302 H( 1885 HOH 133) 28.32159620 +1 26.37843917 +1 32.63071864 +1 0.3285 H( 1886 HOH 133) 27.70561811 +1 27.25747895 +1 31.54652355 +1 0.3482 H( 1887 HOH 134) 22.14472332 +1 17.83748103 +1 32.72369159 +1 0.3451 H( 1888 HOH 134) 22.36040345 +1 16.40443445 +1 32.17733185 +1 0.3148 H( 1889 HOH 135) 15.10107818 +1 18.76091913 +1 21.14185468 +1 0.3307 H( 1890 HOH 135) 13.78570280 +1 18.24896407 +1 21.74423201 +1 0.3295 H( 1891 HOH 136) 27.79799661 +1 30.13873609 +1 33.87530882 +1 0.3141 H( 1892 HOH 136) 27.73944335 +1 28.60374946 +1 33.69561996 +1 0.3358 H( 1893 HOH 137) 28.07613591 +1 36.60678991 +1 35.29338817 +1 0.3230 H( 1894 HOH 137) 27.15847047 +1 35.98037495 +1 36.37032608 +1 0.3383 H( 1895 HOH 138) 26.80171659 +1 33.34688200 +1 37.10826418 +1 0.3388 H( 1896 HOH 138) 25.56079092 +1 33.41670406 +1 36.19141539 +1 0.3265 H( 1897 HOH 139) 18.25787713 +1 36.09007563 +1 38.08651734 +1 0.3356 H( 1898 HOH 139) 16.78352109 +1 36.04176129 +1 38.54868205 +1 0.3298 H( 1899 HOH 140) 26.40756973 +1 33.79142821 +1 40.40014883 +1 0.3339 H( 1900 HOH 140) 27.11114999 +1 32.53220544 +1 39.87407317 +1 0.3295 H( 1901 HOH 141) 25.88908702 +1 31.28402441 +1 42.26230418 +1 0.3348 H( 1902 HOH 141) 25.55406349 +1 30.31990603 +1 43.42724169 +1 0.3313 H( 1903 HOH 142) 18.68468718 +1 27.04493299 +1 43.86320877 +1 0.3105 H( 1904 HOH 142) 19.34754793 +1 25.89730844 +1 43.09819840 +1 0.3288 H( 1905 HOH 143) 15.56834989 +1 28.52597195 +1 39.71146123 +1 0.3314 H( 1906 HOH 143) 14.48616170 +1 27.77613628 +1 40.51057766 +1 0.3322 H( 1907 HOH 144) 14.98645276 +1 34.57013102 +1 39.14302586 +1 0.3393 H( 1908 HOH 144) 14.24276906 +1 35.27397298 +1 38.00134260 +1 0.3803 H( 1909 HOH 145) 24.87635414 +1 22.88807417 +1 33.60647436 +1 0.3159 H( 1910 HOH 145) 23.62233271 +1 22.77822681 +1 32.72536304 +1 0.3339 H( 1911 HOH 146) 23.20238992 +1 17.94174372 +1 34.81951358 +1 0.3264 H( 1912 HOH 146) 21.68239711 +1 18.30063316 +1 34.80737549 +1 0.3539 H( 1913 HOH 147) 18.24766453 +1 20.37052021 +1 37.34814700 +1 0.3483 H( 1914 HOH 147) 18.66053741 +1 19.85649277 +1 38.74610620 +1 0.3226 H( 1915 HOH 148) 19.76372512 +1 17.92134246 +1 35.70241130 +1 0.3254 H( 1916 HOH 148) 20.44225876 +1 19.21719780 +1 36.22117107 +1 0.3565 H( 1917 HOH 149) 15.21666839 +1 25.72946899 +1 41.58120276 +1 0.3571 H( 1918 HOH 149) 14.24475310 +1 24.72398435 +1 40.93131762 +1 0.3047 H( 1919 HOH 150) 17.03270225 +1 18.41599683 +1 37.63215048 +1 0.3452 H( 1920 HOH 150) 16.46108316 +1 17.25192766 +1 36.76442697 +1 0.3210 H( 1921 HOH 151) 13.85830448 +1 21.88220421 +1 37.94986147 +1 0.3531 H( 1922 HOH 151) 14.94146670 +1 20.84127456 +1 38.33642227 +1 0.3294 H( 1923 HOH 152) 12.77878980 +1 20.55173430 +1 31.18389366 +1 0.3244 H( 1924 HOH 152) 13.08980514 +1 19.03507013 +1 31.01357552 +1 0.3417 H( 1925 HOH 153) 3.92329456 +1 31.50521931 +1 34.03216134 +1 0.3341 H( 1926 HOH 153) 4.35878906 +1 30.56491113 +1 32.89885327 +1 0.3099 H( 1927 HOH 154) 11.60035087 +1 38.46999105 +1 42.32919688 +1 0.3262 H( 1928 HOH 154) 10.44206566 +1 37.61550847 +1 41.78511246 +1 0.3336 H( 1929 HOH 155) 14.56321778 +1 18.96783513 +1 28.16103995 +1 0.3367 H( 1930 HOH 155) 13.71888514 +1 17.87878395 +1 27.47694164 +1 0.3339 H( 1931 HOH 156) 7.28745993 +1 29.18383760 +1 19.47054767 +1 0.3348 H( 1932 HOH 156) 5.76000207 +1 29.11323324 +1 19.24043607 +1 0.3372 H( 1933 HOH 157) 9.76597116 +1 41.48758396 +1 41.56143853 +1 0.3209 H( 1934 HOH 157) 10.22135432 +1 40.05577920 +1 41.18693247 +1 0.3366 H( 1935 HOH 158) 8.75874431 +1 44.68443413 +1 20.89947501 +1 0.3224 H( 1936 HOH 158) 8.82422588 +1 45.24442510 +1 22.34252668 +1 0.3488 H( 1937 HOH 159) 14.60524174 +1 25.06870916 +1 12.28290276 +1 0.3052 H( 1938 HOH 159) 13.17760164 +1 24.70335206 +1 11.83281662 +1 0.3163 H( 1939 HOH 160) 9.54506543 +1 29.64647554 +1 19.33855906 +1 0.3502 H( 1940 HOH 160) 9.62251499 +1 28.10132953 +1 19.23650683 +1 0.3509 H( 1941 HOH 161) 23.45194607 +1 41.04348762 +1 19.92753103 +1 0.3259 H( 1942 HOH 161) 23.77718780 +1 39.52018743 +1 19.87300197 +1 0.3480 H( 1943 HOH 162) 13.75115188 +1 31.92553918 +1 14.82198444 +1 0.3219 H( 1944 HOH 162) 12.78091537 +1 32.93326036 +1 14.16687481 +1 0.3368 H( 1945 HOH 163) 10.23627729 +1 33.69586181 +1 14.63476509 +1 0.3296 H( 1946 HOH 163) 11.25533579 +1 34.37492897 +1 15.58927086 +1 0.3427 H( 1947 HOH 164) 5.29564142 +1 38.33194358 +1 21.96933669 +1 0.3331 H( 1948 HOH 164) 4.48160503 +1 37.42300172 +1 22.89599027 +1 0.3159 H( 1949 HOH 165) 26.74273874 +1 22.93004195 +1 19.00585876 +1 0.3160 H( 1950 HOH 165) 27.34532823 +1 21.89543549 +1 18.05838526 +1 0.3233 H( 1951 HOH 166) 4.43831817 +1 40.14649095 +1 23.73397798 +1 0.3552 H( 1952 HOH 166) 3.59663491 +1 40.81941383 +1 24.84767432 +1 0.3378 H( 1953 HOH 167) 5.63759446 +1 42.09881344 +1 32.38773954 +1 0.3350 H( 1954 HOH 167) 4.20159418 +1 42.21943336 +1 32.96347387 +1 0.3447 H( 1955 HOH 168) 7.18550232 +1 40.78031360 +1 37.60608116 +1 0.3307 H( 1956 HOH 168) 5.88593844 +1 40.14684094 +1 37.04347542 +1 0.3267 H( 1957 HOH 169) 5.49125920 +1 34.81879105 +1 40.06218643 +1 0.3380 H( 1958 HOH 169) 4.03197342 +1 34.70955627 +1 39.61287797 +1 0.3299 H( 1959 HOH 170) 6.44333176 +1 25.95139854 +1 32.67373739 +1 0.3467 H( 1960 HOH 170) 5.38099008 +1 25.50678390 +1 31.65190813 +1 0.3221 H( 1961 HOH 171) 5.24728338 +1 30.64609529 +1 30.80106076 +1 0.3338 H( 1962 HOH 171) 5.48431352 +1 29.16918590 +1 31.18675031 +1 0.3274 H( 1963 HOH 172) 5.52241897 +1 23.27712369 +1 34.26834962 +1 0.3167 H( 1964 HOH 172) 6.04016429 +1 22.14830781 +1 33.37617350 +1 0.3186 H( 1965 HOH 173) 11.64238637 +1 21.95771280 +1 39.09094850 +1 0.3273 H( 1966 HOH 173) 11.47145985 +1 22.35558357 +1 37.61653152 +1 0.3508 H( 1967 HOH 174) 4.87442844 +1 25.57812415 +1 39.26936714 +1 0.3278 H( 1968 HOH 174) 4.39329281 +1 24.64570329 +1 40.37745526 +1 0.3179 H( 1969 HOH 175) 4.78958497 +1 32.09241613 +1 36.18811259 +1 0.3430 H( 1970 HOH 175) 4.08773710 +1 30.71094081 +1 36.01574418 +1 0.3397 H( 1971 HOH 176) 10.73435248 +1 30.85644446 +1 42.59841496 +1 0.3210 H( 1972 HOH 176) 9.50042642 +1 31.38327303 +1 41.83789885 +1 0.3366 H( 1973 HOH 177) 11.85363712 +1 29.83504860 +1 37.26261249 +1 0.3433 H( 1974 HOH 177) 10.53735287 +1 29.02736711 +1 36.97769263 +1 0.3674 H( 1975 HOH 178) 9.69993897 +1 34.51040300 +1 42.03030490 +1 0.3394 H( 1976 HOH 178) 8.41822363 +1 35.19014241 +1 42.53150261 +1 0.3283 H( 1977 HOH 179) 5.70878124 +1 46.10084862 +1 31.46748924 +1 0.3262 H( 1978 HOH 179) 4.79132619 +1 45.11103383 +1 32.21603367 +1 0.3419 H( 1979 HOH 180) 7.58012944 +1 32.40970898 +1 24.48008781 +1 0.3294 H( 1980 HOH 180) 6.56083608 +1 31.38692463 +1 25.00246647 +1 0.3329 H( 1981 HOH 181) 16.72902639 +1 31.63004902 +1 16.48685315 +1 0.3265 H( 1982 HOH 181) 16.47956290 +1 30.63639462 +1 17.64734865 +1 0.3537 H( 1983 HOH 182) 20.17701105 +1 28.70045210 +1 16.00281240 +1 0.3238 H( 1984 HOH 182) 19.43965073 +1 28.25479962 +1 14.72076477 +1 0.3226 H( 1985 HOH 183) 21.91126146 +1 27.36362807 +1 12.27248510 +1 0.3171 H( 1986 HOH 183) 20.79943552 +1 26.42374665 +1 12.78561681 +1 0.3453 H( 1987 HOH 184) 21.94493109 +1 25.20315019 +1 11.17333793 +1 0.3414 H( 1988 HOH 184) 22.93512790 +1 24.21876856 +1 10.48792731 +1 0.3296 H( 1989 HOH 185) 19.09604745 +1 25.07983683 +1 11.86358772 +1 0.3380 H( 1990 HOH 185) 18.07711908 +1 25.34558087 +1 10.73639931 +1 0.3276 H( 1991 HOH 186) 23.39112769 +1 20.37179906 +1 22.01864848 +1 0.3283 H( 1992 HOH 186) 22.23574306 +1 21.10605300 +1 22.74308587 +1 0.3571 H( 1993 HOH 187) 17.36437059 +1 40.49522969 +1 34.91125548 +1 0.3314 H( 1994 HOH 187) 17.05464564 +1 40.53617770 +1 33.38251110 +1 0.3521 H( 1995 HOH 188) 17.75049223 +1 43.96575455 +1 32.90742703 +1 0.3718 H( 1996 HOH 188) 17.92864379 +1 42.68065383 +1 33.76128755 +1 0.3375 H( 1997 HOH 189) 16.62625344 +1 41.28253382 +1 36.94879957 +1 0.3368 H( 1998 HOH 189) 16.42507251 +1 39.75461589 +1 37.06502303 +1 0.3295 H( 1999 HOH 190) 9.30202492 +1 41.46653098 +1 37.57936586 +1 0.3486 H( 2000 HOH 190) 9.11752022 +1 40.98734099 +1 39.03679604 +1 0.3375 H( 2001 HOH 191) 9.59332604 +1 47.02434828 +1 35.69866934 +1 0.3260 H( 2002 HOH 191) 8.10320724 +1 46.99418845 +1 35.34896657 +1 0.3222 H( 2003 HOH 192) 10.11039611 +1 47.81479261 +1 33.56665738 +1 0.3239 H( 2004 HOH 192) 9.17691009 +1 46.98968285 +1 32.66990577 +1 0.3306 H( 2005 HOH 193) 20.07808302 +1 46.15911228 +1 37.11452034 +1 0.3179 H( 2006 HOH 193) 18.80155391 +1 45.88499576 +1 36.31698742 +1 0.3302 H( 2007 HOH 194) 18.76059403 +1 48.72612271 +1 28.94211612 +1 0.3104 H( 2008 HOH 194) 18.97611243 +1 47.20267606 +1 28.95860837 +1 0.3375 H( 2009 HOH 195) 13.29041128 +1 47.33122804 +1 25.17020642 +1 0.3246 H( 2010 HOH 195) 12.46056072 +1 47.27164114 +1 26.47238872 +1 0.3275 H( 2011 HOH 196) 7.33079956 +1 49.16938085 +1 30.15821492 +1 0.3154 H( 2012 HOH 196) 7.88448652 +1 48.03895815 +1 29.28457617 +1 0.3268 H( 2013 HOH 197) 14.32284453 +1 46.71145926 +1 26.58276865 +1 0.3558 H( 2014 HOH 197) 14.44783157 +1 45.15568012 +1 26.64261573 +1 0.3359 H( 2015 HOH 198) 9.17528969 +1 45.55510174 +1 24.68684339 +1 0.3245 H( 2016 HOH 198) 9.59293593 +1 44.15917713 +1 24.17584803 +1 0.3520 H( 2017 HOH 199) 15.05379623 +1 43.33618396 +1 13.27931448 +1 0.3580 H( 2018 HOH 199) 13.53651748 +1 43.55255366 +1 13.02669739 +1 0.3275 H( 2019 HOH 200) 11.61370568 +1 48.27419469 +1 20.32511255 +1 0.3277 H( 2020 HOH 200) 10.99891289 +1 47.14977150 +1 21.17751523 +1 0.3426 H( 2021 HOH 201) 13.95082007 +1 47.72124854 +1 21.48629198 +1 0.3313 H( 2022 HOH 201) 14.69031849 +1 47.50235635 +1 22.83647472 +1 0.3472 H( 2023 HOH 202) 21.06186271 +1 42.42751760 +1 18.64500938 +1 0.3376 H( 2024 HOH 202) 20.03066807 +1 42.79056753 +1 19.73906403 +1 0.3277 H( 2025 HOH 203) 16.36151668 +1 47.21539744 +1 23.88741729 +1 0.3256 H( 2026 HOH 203) 15.47161702 +1 46.13301429 +1 24.59343700 +1 0.3778 H( 2027 HOH 204) 16.38634299 +1 47.67344637 +1 25.74617894 +1 0.3572 H( 2028 HOH 204) 17.24189252 +1 48.94119598 +1 26.07154350 +1 0.3195 H( 2029 HOH 205) 18.19163776 +1 47.13723424 +1 27.05043685 +1 0.3943 H( 2030 HOH 205) 16.79833049 +1 46.41668450 +1 27.33845115 +1 0.3410 H( 2031 HOH 206) 14.44629049 +1 39.47098927 +1 12.00767208 +1 0.3310 H( 2032 HOH 206) 13.13941069 +1 39.21642163 +1 12.79215732 +1 0.3293 H( 2033 HOH 207) 15.74354411 +1 42.27417715 +1 11.25406002 +1 0.3265 H( 2034 HOH 207) 15.91230927 +1 41.37952972 +1 12.50676839 +1 0.3483 H( 2035 HOH 208) 24.09431363 +1 37.25528131 +1 19.93070799 +1 0.3380 H( 2036 HOH 208) 22.66460629 +1 37.58871357 +1 20.45495646 +1 0.3478 H( 2037 HOH 209) 19.01043093 +1 32.51434870 +1 16.03337904 +1 0.3464 H( 2038 HOH 209) 18.65799102 +1 31.09498119 +1 15.50669140 +1 0.3315 H( 2039 HOH 210) 19.08900568 +1 33.35546441 +1 11.68246809 +1 0.3252 H( 2040 HOH 210) 19.13002905 +1 33.26046406 +1 13.22162190 +1 0.3366 H( 2041 HOH 211) 13.17022254 +1 37.26260779 +1 14.48262985 +1 0.3266 H( 2042 HOH 211) 11.85482629 +1 37.11813664 +1 13.70192716 +1 0.3198 H( 2043 HOH 212) 22.50324961 +1 40.54991031 +1 17.82490985 +1 0.3435 H( 2044 HOH 212) 21.24221925 +1 40.04068675 +1 17.07338811 +1 0.3399 H( 2045 HOH 213) 24.85687416 +1 25.40728590 +1 21.63433824 +1 0.3207 H( 2046 HOH 213) 23.83075889 +1 25.21220264 +1 22.76066973 +1 0.3202 H( 2047 HOH 214) 26.05035015 +1 22.74065428 +1 13.64966522 +1 0.3167 H( 2048 HOH 214) 27.34621068 +1 22.28950800 +1 14.32200151 +1 0.3276 H( 2049 HOH 215) 27.10462392 +1 24.24457986 +1 15.87700834 +1 0.3367 H( 2050 HOH 215) 28.62923101 +1 24.43784008 +1 15.86031822 +1 0.3195