SUMMARY OF PM7 CALCULATION, Site No: 9705 MOPAC2012 (Version: 12.132M) Tue May 22 05:14:07 2012 No. of days left = 90 Empirical Formula: C550 H1067 N144 O284 S5 = 2050 atoms CHARGE=-1 SETUP RESTART LET GNORM=15 NOOPT OPT-H NOOPT OPT-H PDBOUT PL MOZYME NOOPT OPT-H 2W1R HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -16603.40755 KCAL/MOL = -69468.65718 KJ/MOL TOTAL ENERGY = -193648.66792 EV ELECTRONIC ENERGY = -16886223.56870 EV CORE-CORE REPULSION = 16692574.90077 EV GRADIENT NORM = 14.72446 DIPOLE = 96.13729 DEBYE NO. OF FILLED LEVELS = 2861 CHARGE ON SYSTEM = -1 MOLECULAR WEIGHT = 14402.574 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 1933 H 1622 40.20164 H 1243 H 2018 36.42508 H 1353 O 891 35.90709 SCF CALCULATIONS = 58 COMPUTATION TIME = 2 HOURS 51 MINUTES AND 22.483 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 RESTART LET GNORM=15 NOOPT OPT-H NOOPT OPT-H PDBOUT PL MOZYME NOOPT OPT-H 2W1R N( 1 ASP* 1) 34.47200000 +0 26.90700000 +0 27.87999900 +0 -0.6350 C( 2 ASP* 1) 32.97800100 +0 26.90300000 +0 27.90700000 +0 0.0106 C( 3 ASP* 1) 32.41899900 +0 27.96900000 +0 26.96200000 +0 0.5799 O( 4 ASP* 1) 32.38100100 +0 29.16099900 +0 27.28300100 +0 -0.6318 C( 5 ASP 1) 32.46799900 +0 27.09900100 +0 29.33900100 +0 -0.4535 C( 6 ASP 1) 31.01400000 +0 26.67100000 +0 29.51800000 +0 0.6714 O( 7 ASP 1) 30.25700000 +0 26.61200000 +0 28.52000000 +0 -0.5405 O( 8 ASP 1) 30.62500000 +0 26.40800100 +0 30.68100000 +0 -0.4908 N( 9 PHE* 2) 31.97300000 +0 27.51000000 +0 25.79900000 +0 -0.5280 C( 10 PHE* 2) 31.56100100 +0 28.36500000 +0 24.69199900 +0 -0.0005 C( 11 PHE* 2) 30.24399900 +0 29.11400000 +0 24.94000100 +0 0.5606 O( 12 PHE* 2) 30.12800000 +0 30.31200000 +0 24.64900000 +0 -0.6004 C( 13 PHE 2) 31.44100000 +0 27.50700000 +0 23.43700000 +0 -0.3168 C( 14 PHE 2) 31.52899900 +0 28.28000100 +0 22.16700000 +0 -0.0108 C( 15 PHE 2) 32.75999800 +0 28.71800000 +0 21.69700100 +0 -0.1682 C( 16 PHE 2) 30.38800000 +0 28.55699900 +0 21.43000000 +0 -0.1544 C( 17 PHE 2) 32.85100200 +0 29.42799900 +0 20.51800000 +0 -0.1343 C( 18 PHE 2) 30.46900000 +0 29.26899900 +0 20.24399900 +0 -0.1285 C( 19 PHE 2) 31.70700100 +0 29.70400000 +0 19.78599900 +0 -0.1494 N( 20 ALA* 3) 29.25499900 +0 28.39399900 +0 25.46200000 +0 -0.5635 C( 21 ALA* 3) 27.96900000 +0 28.97800100 +0 25.82300000 +0 0.0314 C( 22 ALA* 3) 28.13500000 +0 29.98600000 +0 26.95700100 +0 0.5721 O( 23 ALA* 3) 27.50200100 +0 31.04299900 +0 26.94700100 +0 -0.6228 C( 24 ALA 3) 26.98000000 +0 27.88600000 +0 26.21200000 +0 -0.4775 N( 25 LYS* 4) 29.00099900 +0 29.66200100 +0 27.91900100 +0 -0.5595 C( 26 LYS* 4) 29.26499900 +0 30.54700100 +0 29.05299900 +0 0.0105 C( 27 LYS* 4) 29.86800000 +0 31.87200000 +0 28.59199900 +0 0.5722 O( 28 LYS* 4) 29.47300000 +0 32.93399800 +0 29.06900000 +0 -0.6216 C( 29 LYS 4) 30.18400000 +0 29.87200000 +0 30.07700000 +0 -0.3174 C( 30 LYS 4) 30.40300000 +0 30.67900100 +0 31.34700000 +0 -0.2537 C( 31 LYS 4) 31.38400100 +0 29.99500100 +0 32.28900100 +0 -0.3215 C( 32 LYS 4) 31.61500000 +0 30.82600000 +0 33.54800000 +0 -0.0995 N( 33 LYS 4) 32.35300100 +0 32.09899900 +0 33.27299900 +0 -0.6409 N( 34 GLU* 5) 30.82200100 +0 31.79700100 +0 27.66400000 +0 -0.5606 C( 35 GLU* 5) 31.45999900 +0 32.98600000 +0 27.10500000 +0 0.0059 C( 36 GLU* 5) 30.43600100 +0 33.90200000 +0 26.44000100 +0 0.5833 O( 37 GLU* 5) 30.46500000 +0 35.11700100 +0 26.64100100 +0 -0.6661 C( 38 GLU 5) 32.54600100 +0 32.59600100 +0 26.09900100 +0 -0.2839 C( 39 GLU 5) 33.81399900 +0 32.04100000 +0 26.73100100 +0 -0.3218 C( 40 GLU 5) 34.65300000 +0 31.20800000 +0 25.76899900 +0 0.6383 O( 41 GLU 5) 34.55500000 +0 31.40399900 +0 24.53700100 +0 -0.5619 O( 42 GLU 5) 35.42100100 +0 30.34900100 +0 26.25300000 +0 -0.5284 N( 43 TYR* 6) 29.52800000 +0 33.31100100 +0 25.66000000 +0 -0.5315 C( 44 TYR* 6) 28.52000000 +0 34.08300000 +0 24.94400000 +0 0.0017 C( 45 TYR* 6) 27.53300100 +0 34.69900100 +0 25.93100000 +0 0.5658 O( 46 TYR* 6) 27.20500000 +0 35.88100100 +0 25.82700000 +0 -0.6483 C( 47 TYR 6) 27.78700100 +0 33.23600000 +0 23.89300000 +0 -0.2984 C( 48 TYR 6) 27.23300000 +0 34.06100100 +0 22.75600100 +0 -0.0623 C( 49 TYR 6) 27.69000100 +0 33.88800000 +0 21.45200000 +0 -0.0807 C( 50 TYR 6) 26.26300000 +0 35.03900100 +0 22.98399900 +0 -0.0960 C( 51 TYR 6) 27.18899900 +0 34.65800100 +0 20.40399900 +0 -0.2901 C( 52 TYR 6) 25.76600100 +0 35.81800100 +0 21.94500000 +0 -0.2551 C( 53 TYR 6) 26.22800100 +0 35.62400100 +0 20.66300000 +0 0.2891 O( 54 TYR 6) 25.72699900 +0 36.38800000 +0 19.63400100 +0 -0.5231 N( 55 ALA* 7) 27.08400000 +0 33.90100100 +0 26.89699900 +0 -0.5452 C( 56 ALA* 7) 26.17600100 +0 34.39500000 +0 27.92300000 +0 0.0281 C( 57 ALA* 7) 26.80500000 +0 35.57400100 +0 28.66000000 +0 0.5935 O( 58 ALA* 7) 26.13600000 +0 36.56700100 +0 28.92400000 +0 -0.6374 C( 59 ALA 7) 25.79299900 +0 33.27500200 +0 28.89300000 +0 -0.4593 N( 60 ASP* 8) 28.09700000 +0 35.46799900 +0 28.97200000 +0 -0.5558 C( 61 ASP* 8) 28.80200000 +0 36.55400100 +0 29.65300000 +0 0.0367 C( 62 ASP* 8) 28.86200000 +0 37.80799900 +0 28.78900000 +0 0.5579 O( 63 ASP* 8) 28.66700000 +0 38.92100100 +0 29.28100000 +0 -0.6215 C( 64 ASP 8) 30.21600000 +0 36.12200200 +0 30.05400100 +0 -0.4240 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 -0.5517 O( 67 ASP 8) 31.26000000 +0 34.49100100 +0 31.44700100 +0 -0.5291 N( 68 ALA* 9) 29.13299900 +0 37.61999900 +0 27.49900100 +0 -0.5509 C( 69 ALA* 9) 29.18499900 +0 38.73400100 +0 26.54900000 +0 0.0167 C( 70 ALA* 9) 27.83300000 +0 39.42100100 +0 26.42300000 +0 0.5772 O( 71 ALA* 9) 27.75499900 +0 40.64899800 +0 26.34400000 +0 -0.6618 C( 72 ALA 9) 29.65800100 +0 38.26200100 +0 25.18899900 +0 -0.4667 N( 73 LEU* 10) 26.76899900 +0 38.62300100 +0 26.41099900 +0 -0.5256 C( 74 LEU* 10) 25.41700000 +0 39.16700000 +0 26.35899900 +0 -0.0088 C( 75 LEU* 10) 25.07000000 +0 39.94900100 +0 27.61599900 +0 0.5734 O( 76 LEU* 10) 24.45200000 +0 41.00999800 +0 27.54100000 +0 -0.6470 C( 77 LEU 10) 24.39300000 +0 38.05899800 +0 26.11800000 +0 -0.3202 C( 78 LEU 10) 24.19000100 +0 37.62300100 +0 24.67000000 +0 -0.0559 C( 79 LEU 10) 23.44700100 +0 36.30300100 +0 24.65200000 +0 -0.4573 C( 80 LEU 10) 23.43000000 +0 38.68600100 +0 23.86400000 +0 -0.4629 N( 81 TYR* 11) 25.46600000 +0 39.42100100 +0 28.77400000 +0 -0.5376 C( 82 TYR* 11) 25.21600000 +0 40.11399800 +0 30.02800000 +0 0.0008 C( 83 TYR* 11) 25.98700000 +0 41.42400000 +0 30.07300000 +0 0.5725 O( 84 TYR* 11) 25.42000000 +0 42.47100100 +0 30.39399900 +0 -0.5926 C( 85 TYR 11) 25.57200100 +0 39.25299800 +0 31.24300000 +0 -0.2936 C( 86 TYR 11) 25.46699900 +0 40.02600100 +0 32.54000100 +0 -0.0722 C( 87 TYR 11) 24.23300000 +0 40.51400000 +0 32.98000000 +0 -0.0921 C( 88 TYR 11) 26.59600100 +0 40.28500000 +0 33.31600200 +0 -0.0800 C( 89 TYR 11) 24.12299900 +0 41.23600000 +0 34.16199900 +0 -0.2518 C( 90 TYR 11) 26.49600000 +0 41.00899900 +0 34.50899900 +0 -0.3096 C( 91 TYR 11) 25.25300000 +0 41.47600200 +0 34.92100100 +0 0.2826 O( 92 TYR 11) 25.12900000 +0 42.19100200 +0 36.09000000 +0 -0.4697 N( 93 ASP* 12) 27.27500000 +0 41.36200000 +0 29.73500100 +0 -0.5551 C( 94 ASP* 12) 28.13200000 +0 42.55199800 +0 29.74600000 +0 0.0316 C( 95 ASP* 12) 27.58200100 +0 43.66899900 +0 28.86200000 +0 0.5450 O( 96 ASP* 12) 27.64600000 +0 44.84199900 +0 29.22600000 +0 -0.5108 C( 97 ASP 12) 29.54999900 +0 42.21300100 +0 29.28300100 +0 -0.3683 C( 98 ASP 12) 30.32500100 +0 41.39300200 +0 30.29600000 +0 0.6411 O( 99 ASP 12) 29.86000100 +0 41.24499900 +0 31.44700100 +0 -0.5446 O( 100 ASP 12) 31.41099900 +0 40.89500000 +0 29.92600100 +0 -0.5417 N( 101 SER* 13) 27.04500000 +0 43.29399900 +0 27.70200000 +0 -0.5555 C( 102 SER* 13) 25.14699900 +0 44.75500100 +0 27.00700000 +0 0.5575 O( 103 SER* 13) 24.88200000 +0 45.94900100 +0 26.95200000 +0 -0.5641 C( 104 SER* 13) 26.56200000 +0 44.25199900 +0 26.71299900 +0 -0.0541 C( 105 SER 13) 26.62599900 +0 43.63200000 +0 25.31500100 +0 -0.0238 O( 106 SER 13) 26.08499900 +0 44.50000000 +0 24.33900100 +0 -0.5447 N( 107 LEU* 14) 24.23700000 +0 43.83400000 +0 27.31800100 +0 -0.5549 C( 108 LEU* 14) 22.82200100 +0 44.18600100 +0 27.48700000 +0 -0.0059 C( 109 LEU* 14) 22.37299900 +0 44.41899900 +0 28.92700000 +0 0.5614 O( 110 LEU* 14) 21.37100000 +0 45.09500100 +0 29.16099900 +0 -0.6479 C( 111 LEU 14) 21.92600100 +0 43.14199800 +0 26.81800100 +0 -0.3231 C( 112 LEU 14) 22.27400000 +0 42.75999800 +0 25.37900000 +0 -0.0380 C( 113 LEU 14) 21.31900000 +0 41.69599900 +0 24.89100100 +0 -0.4541 C( 114 LEU 14) 22.25300000 +0 43.97100100 +0 24.45500000 +0 -0.4658 N( 115 GLY* 15) 23.09499900 +0 43.83300000 +0 29.87800000 +0 -0.5056 C( 116 GLY* 15) 22.82200100 +0 44.05799900 +0 31.29700100 +0 -0.1537 C( 117 GLY* 15) 21.62500000 +0 43.31300000 +0 31.85400000 +0 0.5679 O( 118 GLY* 15) 21.12000100 +0 43.65100100 +0 32.93199900 +0 -0.5643 N( 119 HIS* 16) 21.16500100 +0 42.29700100 +0 31.12900000 +0 -0.5406 C( 120 HIS* 16) 20.05299900 +0 41.47200000 +0 31.59300000 +0 0.0028 C( 121 HIS* 16) 20.52800000 +0 40.05500000 +0 31.84700000 +0 0.5813 O( 122 HIS* 16) 21.53700100 +0 39.62200200 +0 31.29700100 +0 -0.6384 C( 123 HIS 16) 18.92700000 +0 41.44300100 +0 30.56200000 +0 -0.2999 C( 124 HIS 16) 18.51000000 +0 42.79900000 +0 30.09199900 +0 0.1106 N( 125 HIS 16) 18.00600100 +0 43.75600100 +0 30.94400000 +0 -0.4806 C( 126 HIS 16) 18.54200000 +0 43.36600100 +0 28.86200000 +0 -0.1985 C( 127 HIS 16) 17.73700000 +0 44.85300100 +0 30.25799900 +0 0.0855 N( 128 HIS 16) 18.05500000 +0 44.64199800 +0 28.99300000 +0 -0.3256 N( 129 SER* 17) 19.78800000 +0 39.33900100 +0 32.68299900 +0 -0.5202 C( 130 SER* 17) 20.06300000 +0 37.93199900 +0 32.92599900 +0 -0.0683 C( 131 SER* 17) 19.98000000 +0 37.14699900 +0 31.63100100 +0 0.5795 O( 132 SER* 17) 19.09400000 +0 37.38399900 +0 30.80200000 +0 -0.6322 C( 133 SER 17) 19.07300000 +0 37.36899900 +0 33.92699800 +0 -0.0216 O( 134 SER 17) 19.22300000 +0 37.99900100 +0 35.18299900 +0 -0.5938 N( 135 VAL* 18) 20.91099900 +0 36.21200200 +0 31.47300000 +0 -0.5229 C( 136 VAL* 18) 21.01300000 +0 35.39300200 +0 30.27899900 +0 -0.0331 C( 137 VAL* 18) 21.11599900 +0 33.93299900 +0 30.69300100 +0 0.5873 O( 138 VAL* 18) 21.93499900 +0 33.58400000 +0 31.54700100 +0 -0.6822 C( 139 VAL 18) 22.26899900 +0 35.75400200 +0 29.45599900 +0 -0.0764 C( 140 VAL 18) 22.31699900 +0 34.93600100 +0 28.16500100 +0 -0.4643 C( 141 VAL 18) 22.30400100 +0 37.24499900 +0 29.12999900 +0 -0.4641 N( 142 LEU* 19) 20.27400000 +0 33.09500100 +0 30.10000000 +0 -0.5227 C( 143 LEU* 19) 20.37100000 +0 31.64600000 +0 30.25799900 +0 -0.0243 C( 144 LEU* 19) 20.57399900 +0 30.99700000 +0 28.90900000 +0 0.5766 O( 145 LEU* 19) 20.01199900 +0 31.44000100 +0 27.89900000 +0 -0.6559 C( 146 LEU 19) 19.09700000 +0 31.07799900 +0 30.88800000 +0 -0.3114 C( 147 LEU 19) 18.59800000 +0 31.72100100 +0 32.17800100 +0 -0.0453 C( 148 LEU 19) 17.27500000 +0 31.10500000 +0 32.58100100 +0 -0.4717 C( 149 LEU 19) 19.62500000 +0 31.58900100 +0 33.29399900 +0 -0.4672 N( 150 ILE* 20) 21.37900000 +0 29.94700100 +0 28.89100100 +0 -0.5206 C( 151 ILE* 20) 21.47400100 +0 29.09700000 +0 27.71699900 +0 -0.0350 C( 152 ILE* 20) 21.21299900 +0 27.68100000 +0 28.18199900 +0 0.5831 O( 153 ILE* 20) 21.77700000 +0 27.24000000 +0 29.18000000 +0 -0.7523 C( 154 ILE 20) 22.83799900 +0 29.21900000 +0 26.99900100 +0 -0.0964 C( 155 ILE 20) 23.04299900 +0 30.67600100 +0 26.54500000 +0 -0.2688 C( 156 ILE 20) 22.89699900 +0 28.26600100 +0 25.80600000 +0 -0.4656 C( 157 ILE 20) 24.37299900 +0 30.97400100 +0 25.87599900 +0 -0.4477 N( 158 CYS* 21) 20.32399900 +0 26.99600000 +0 27.47500000 +0 -0.4520 C( 159 CYS* 21) 20.05299900 +0 25.60000000 +0 27.77300100 +0 -0.0322 C( 160 CYS* 21) 20.38100100 +0 24.71200000 +0 26.60100000 +0 0.6147 O( 161 CYS* 21) 20.46600000 +0 25.17700000 +0 25.45800000 +0 -0.6234 C( 162 CYS 21) 18.58400000 +0 25.40500100 +0 28.15300000 +0 -0.2384 S( 163 CYS 21) 17.38299900 +0 25.88500000 +0 26.89100100 +0 -0.9122 N( 164 ASP* 22) 20.58300000 +0 23.42900100 +0 26.89600000 +0 -0.5484 C( 165 ASP* 22) 20.54000100 +0 22.40800100 +0 25.86000100 +0 0.0284 C( 166 ASP* 22) 19.10300100 +0 21.87700100 +0 25.79299900 +0 0.4959 O( 167 ASP* 22) 18.15800100 +0 22.61300100 +0 26.09000000 +0 -0.4503 C( 168 ASP 22) 21.60300100 +0 21.31399900 +0 26.08499900 +0 -0.4269 C( 169 ASP 22) 21.45700100 +0 20.58300000 +0 27.42400000 +0 0.7283 O( 170 ASP 22) 20.40099900 +0 20.69100000 +0 28.08600000 +0 -0.6237 O( 171 ASP 22) 22.41200100 +0 19.87299900 +0 27.79700100 +0 -0.5716 N( 172 ARG* 23) 18.91799900 +0 20.61500000 +0 25.40800100 +0 -0.5920 C( 173 ARG* 23) 17.57000000 +0 20.05100100 +0 25.32500100 +0 0.0094 C( 174 ARG* 23) 16.93899900 +0 19.77800000 +0 26.69800000 +0 0.5950 O( 175 ARG* 23) 15.73400000 +0 19.52199900 +0 26.79999900 +0 -0.6302 C( 176 ARG 23) 17.59000000 +0 18.74700000 +0 24.52300100 +0 -0.3113 C( 177 ARG 23) 17.92300000 +0 18.87299900 +0 23.03599900 +0 -0.2936 C( 178 ARG 23) 18.09700000 +0 17.46900000 +0 22.45999900 +0 -0.0786 N( 179 ARG 23) 18.51000000 +0 17.42700000 +0 21.05699900 +0 -0.5340 C( 180 ARG 23) 19.77300100 +0 17.39800100 +0 20.63800000 +0 0.5806 N( 181 ARG 23) 20.77899900 +0 17.43199900 +0 21.50200100 +0 -0.7133 N( 182 ARG 23) 20.03100000 +0 17.34199900 +0 19.33799900 +0 -0.7930 N( 183 ASP* 24) 17.75200100 +0 19.85400000 +0 27.74900100 +0 -0.5456 C( 184 ASP* 24) 17.36400000 +0 19.34300000 +0 29.06300000 +0 0.0124 C( 185 ASP* 24) 17.45500000 +0 20.35400000 +0 30.20000100 +0 0.5933 O( 186 ASP* 24) 16.51600100 +0 20.51100000 +0 30.97900000 +0 -0.6636 C( 187 ASP 24) 18.22100100 +0 18.12000100 +0 29.40300000 +0 -0.4459 C( 188 ASP 24) 18.06699900 +0 17.00499900 +0 28.38800000 +0 0.7021 O( 189 ASP 24) 16.94500000 +0 16.48100100 +0 28.26499900 +0 -0.5389 O( 190 ASP 24) 19.06300000 +0 16.67300000 +0 27.71699900 +0 -0.6055 N( 191 VAL* 25) 18.60000000 +0 21.01899900 +0 30.29900000 +0 -0.4905 C( 192 VAL* 25) 18.90600000 +0 21.85600100 +0 31.46100000 +0 -0.0248 C( 193 VAL* 25) 19.60199900 +0 23.13999900 +0 31.04400100 +0 0.5782 O( 194 VAL* 25) 20.09000000 +0 23.24900100 +0 29.91500100 +0 -0.6325 C( 195 VAL 25) 19.82099900 +0 21.11300100 +0 32.48099900 +0 -0.0737 C( 196 VAL 25) 19.14500000 +0 19.84800000 +0 33.00400200 +0 -0.4407 C( 197 VAL 25) 21.18300100 +0 20.78500000 +0 31.87400100 +0 -0.4709 N( 198 TYR* 26) 19.66799900 +0 24.10600100 +0 31.95700100 +0 -0.5286 C( 199 TYR* 26) 20.47600000 +0 25.29200000 +0 31.70200000 +0 0.0178 C( 200 TYR* 26) 21.94300100 +0 24.95200000 +0 31.85700000 +0 0.6027 O( 201 TYR* 26) 22.34199900 +0 24.33900100 +0 32.84999800 +0 -0.6983 C( 202 TYR 26) 20.05500000 +0 26.45400000 +0 32.60100200 +0 -0.2988 C( 203 TYR 26) 18.66799900 +0 26.90000000 +0 32.23199800 +0 -0.0652 C( 204 TYR 26) 18.43899900 +0 27.56300000 +0 31.02199900 +0 -0.1145 C( 205 TYR 26) 17.57500100 +0 26.60800000 +0 33.04999900 +0 -0.1088 C( 206 TYR 26) 17.16400000 +0 27.94300100 +0 30.64100100 +0 -0.2826 C( 207 TYR 26) 16.29400100 +0 26.98800100 +0 32.68700000 +0 -0.2414 C( 208 TYR 26) 16.09300000 +0 27.65600000 +0 31.47800100 +0 0.2781 O( 209 TYR 26) 14.81600000 +0 28.03100000 +0 31.12100000 +0 -0.4693 N( 210 ILE* 27) 22.72699900 +0 25.34000000 +0 30.85800000 +0 -0.5444 C( 211 ILE* 27) 24.15200000 +0 25.01899900 +0 30.78599900 +0 -0.0318 C( 212 ILE* 27) 25.04800000 +0 26.25000000 +0 30.94599900 +0 0.5955 O( 213 ILE* 27) 26.26899900 +0 26.13299900 +0 31.09100000 +0 -0.7019 C( 214 ILE 27) 24.50700000 +0 24.27100000 +0 29.46699900 +0 -0.0983 C( 215 ILE 27) 24.23500100 +0 25.15300000 +0 28.23399900 +0 -0.2637 C( 216 ILE 27) 23.74900100 +0 22.94500000 +0 29.39200000 +0 -0.4545 C( 217 ILE 27) 24.84900100 +0 24.63600000 +0 26.93400000 +0 -0.4360 N( 218 ALA* 28) 24.43300100 +0 27.43000000 +0 30.89699900 +0 -0.5298 C( 219 ALA* 28) 25.13200000 +0 28.68800000 +0 31.11000100 +0 0.0071 C( 220 ALA* 28) 24.17700000 +0 29.69500000 +0 31.71500000 +0 0.5735 O( 221 ALA* 28) 23.00499900 +0 29.76199900 +0 31.33600000 +0 -0.6052 C( 222 ALA 28) 25.71200000 +0 29.21699900 +0 29.80600000 +0 -0.4700 N( 223 VAL* 29) 24.68800000 +0 30.45500000 +0 32.67599900 +0 -0.5261 C( 224 VAL* 29) 23.91099900 +0 31.44599900 +0 33.40599800 +0 -0.0268 C( 225 VAL* 29) 24.79900000 +0 32.66099900 +0 33.60400000 +0 0.5739 O( 226 VAL* 29) 25.90600000 +0 32.54499800 +0 34.13100100 +0 -0.6655 C( 227 VAL 29) 23.47300000 +0 30.92700000 +0 34.80699900 +0 -0.0867 C( 228 VAL 29) 22.55800100 +0 31.93800000 +0 35.50600100 +0 -0.4687 C( 229 VAL 29) 22.79500000 +0 29.55600000 +0 34.71099900 +0 -0.4435 N( 230 SER* 30) 24.32099900 +0 33.82300200 +0 33.17300000 +0 -0.5112 C( 231 SER* 30) 25.03200000 +0 35.07400100 +0 33.41700000 +0 -0.0640 C( 232 SER* 30) 24.05999900 +0 36.11999900 +0 33.93000000 +0 0.5595 O( 233 SER* 30) 22.90200000 +0 36.14699900 +0 33.51900100 +0 -0.6258 C( 234 SER 30) 25.73100100 +0 35.55400100 +0 32.15100100 +0 -0.0102 O( 235 SER 30) 26.64200000 +0 34.57500100 +0 31.69800000 +0 -0.5561 N( 236 GLY* 31) 24.52599900 +0 36.95999900 +0 34.84800000 +0 -0.5281 C( 237 GLY* 31) 23.68899900 +0 38.01699800 +0 35.41199900 +0 -0.1605 C( 238 GLY* 31) 22.77899900 +0 37.57799900 +0 36.54299900 +0 0.5519 O( 239 GLY* 31) 22.37400100 +0 38.39600000 +0 37.37799800 +0 -0.5514 N( 240 SER* 32) 22.45500000 +0 36.28900100 +0 36.56499900 +0 -0.5256 C( 241 SER* 32) 21.64800100 +0 35.68199900 +0 37.61600100 +0 -0.0791 C( 242 SER* 32) 22.49700000 +0 34.70000100 +0 38.40499900 +0 0.5102 O( 243 SER* 32) 23.61100000 +0 34.36399800 +0 37.99700200 +0 -0.5072 C( 244 SER 32) 20.44599900 +0 34.95200000 +0 37.01300000 +0 0.0105 O( 245 SER 32) 19.38400100 +0 35.84800000 +0 36.76900100 +0 -0.6060 N( 246 SER* 33) 21.96200000 +0 34.24300000 +0 39.53300100 +0 -0.5467 C( 247 SER* 33) 22.64900000 +0 33.27199900 +0 40.37200200 +0 -0.0527 C( 248 SER* 33) 22.66500100 +0 31.90700000 +0 39.68899900 +0 0.5761 O( 249 SER* 33) 21.61700100 +0 31.38800000 +0 39.29399900 +0 -0.6078 C( 250 SER 33) 21.98000000 +0 33.18800000 +0 41.74499900 +0 -0.0238 O( 251 SER 33) 22.38900000 +0 32.03400000 +0 42.45600100 +0 -0.5504 N( 252 LYS* 34) 23.86500000 +0 31.34499900 +0 39.55400100 +0 -0.5575 C( 253 LYS* 34) 24.05699900 +0 30.00600100 +0 38.98899800 +0 -0.0083 C( 254 LYS* 34) 23.29500000 +0 28.93899900 +0 39.77500200 +0 0.5583 O( 255 LYS* 34) 22.80999900 +0 27.96200000 +0 39.20100000 +0 -0.6035 C( 256 LYS 34) 25.54700100 +0 29.66400000 +0 38.90399900 +0 -0.3012 C( 257 LYS 34) 26.27700000 +0 30.38699900 +0 37.78300100 +0 -0.2796 C( 258 LYS 34) 27.78000100 +0 30.39699900 +0 38.00299800 +0 -0.2668 C( 259 LYS 34) 28.53500000 +0 30.86000100 +0 36.76200100 +0 -0.1113 N( 260 LYS 34) 28.08099900 +0 32.18100000 +0 36.23199800 +0 -0.6684 N( 261 LYS* 35) 23.17900100 +0 29.14300000 +0 41.08599900 +0 -0.5459 C( 262 LYS* 35) 22.38500000 +0 28.27899900 +0 41.95999900 +0 0.0021 C( 263 LYS* 35) 20.91799900 +0 28.20200000 +0 41.55899800 +0 0.5697 O( 264 LYS* 35) 20.27300100 +0 27.16700000 +0 41.74000200 +0 -0.5856 C( 265 LYS 35) 22.46600000 +0 28.76899900 +0 43.40700100 +0 -0.3046 C( 266 LYS 35) 23.58900100 +0 28.16700000 +0 44.21400100 +0 -0.2630 C( 267 LYS 35) 23.56399900 +0 28.67200100 +0 45.65000200 +0 -0.2887 C( 268 LYS 35) 22.42000000 +0 28.06200000 +0 46.45700100 +0 -0.0963 N( 269 LYS 35) 22.52100000 +0 28.38800000 +0 47.91099900 +0 -0.6526 N( 270 ASP* 36) 20.38900000 +0 29.30800100 +0 41.04000100 +0 -0.5587 C( 271 ASP* 36) 18.98000000 +0 29.37999900 +0 40.68800000 +0 0.0218 C( 272 ASP* 36) 18.66300000 +0 28.66400000 +0 39.38299900 +0 0.5745 O( 273 ASP* 36) 17.53100000 +0 28.22800100 +0 39.18600100 +0 -0.6105 C( 274 ASP 36) 18.51400000 +0 30.83900100 +0 40.60699800 +0 -0.3682 C( 275 ASP 36) 18.54299900 +0 31.54200000 +0 41.95500200 +0 0.6382 O( 276 ASP 36) 18.41300000 +0 30.85899900 +0 42.99700200 +0 -0.5536 O( 277 ASP 36) 18.68800000 +0 32.78300100 +0 41.96600000 +0 -0.5201 N( 278 TYR* 37) 19.65600000 +0 28.54200000 +0 38.49800100 +0 -0.5244 C( 279 TYR* 37) 19.38999900 +0 28.04299900 +0 37.13999900 +0 -0.0091 C( 280 TYR* 37) 20.28000100 +0 26.93400000 +0 36.58700200 +0 0.5720 O( 281 TYR* 37) 19.79500000 +0 26.08700000 +0 35.84700000 +0 -0.6251 C( 282 TYR 37) 19.36000100 +0 29.19400000 +0 36.13299900 +0 -0.3037 C( 283 TYR 37) 18.29000100 +0 30.19899900 +0 36.42800100 +0 -0.0702 C( 284 TYR 37) 16.95400000 +0 29.91799900 +0 36.16099900 +0 -0.0620 C( 285 TYR 37) 18.61200000 +0 31.43100000 +0 36.98899800 +0 -0.0999 C( 286 TYR 37) 15.96100000 +0 30.84199900 +0 36.44699900 +0 -0.2834 C( 287 TYR 37) 17.63200000 +0 32.36000100 +0 37.27800000 +0 -0.3207 C( 288 TYR 37) 16.31300000 +0 32.06100100 +0 37.00500100 +0 0.3131 O( 289 TYR 37) 15.34400000 +0 32.98799900 +0 37.29000100 +0 -0.5742 N( 290 LEU* 38) 21.57099900 +0 26.95100000 +0 36.90300000 +0 -0.5303 C( 291 LEU* 38) 22.48300000 +0 26.00400000 +0 36.27199900 +0 0.0037 C( 292 LEU* 38) 22.08099900 +0 24.58300000 +0 36.63800000 +0 0.5432 O( 293 LEU* 38) 21.84499900 +0 24.29200000 +0 37.80799900 +0 -0.5389 C( 294 LEU 38) 23.93000000 +0 26.27000000 +0 36.68899900 +0 -0.3162 C( 295 LEU 38) 25.01600100 +0 25.55699900 +0 35.88600200 +0 -0.0539 C( 296 LEU 38) 25.07900000 +0 26.07600000 +0 34.44699900 +0 -0.4677 C( 297 LEU 38) 26.35400000 +0 25.74900100 +0 36.56100100 +0 -0.4554 N( 298 ASN* 39) 21.98900000 +0 23.71800000 +0 35.62799800 +0 -0.5919 C( 299 ASN* 39) 21.60800000 +0 22.30299900 +0 35.79299900 +0 0.0345 C( 300 ASN* 39) 20.14300000 +0 22.06399900 +0 36.16500100 +0 0.5842 O( 301 ASN* 39) 19.71600000 +0 20.91900100 +0 36.37799800 +0 -0.7210 C( 302 ASN 39) 22.54100000 +0 21.57099900 +0 36.77399800 +0 -0.3946 C( 303 ASN 39) 23.88299900 +0 21.25200100 +0 36.16299800 +0 0.5883 O( 304 ASN 39) 24.92300000 +0 21.40200000 +0 36.80600000 +0 -0.5761 N( 305 ASN 39) 23.87100000 +0 20.80299900 +0 34.91199900 +0 -0.6541 N( 306 LYS* 40) 19.37299900 +0 23.14600000 +0 36.23600000 +0 -0.4703 C( 307 LYS* 40) 17.93899900 +0 23.05100100 +0 36.48500100 +0 -0.0183 C( 308 LYS* 40) 17.22800100 +0 22.64699900 +0 35.20000100 +0 0.5701 O( 309 LYS* 40) 17.65300000 +0 23.03000100 +0 34.10699800 +0 -0.6309 C( 310 LYS 40) 17.38900000 +0 24.38299900 +0 36.99000200 +0 -0.2989 C( 311 LYS 40) 17.91099900 +0 24.82799900 +0 38.35100200 +0 -0.2796 C( 312 LYS 40) 17.27000000 +0 24.07099900 +0 39.50500100 +0 -0.2776 C( 313 LYS 40) 17.64600000 +0 24.69899900 +0 40.84400200 +0 -0.1178 N( 314 LYS 40) 17.01400000 +0 26.02700000 +0 41.08499900 +0 -0.6680 N( 315 SER* 41) 16.15900000 +0 21.86700100 +0 35.33800100 +0 -0.5268 C( 316 SER* 41) 15.39200000 +0 21.40500100 +0 34.18600100 +0 -0.0603 C( 317 SER* 41) 14.61900000 +0 22.55299900 +0 33.54499800 +0 0.5799 O( 318 SER* 41) 13.93800000 +0 23.32200100 +0 34.23400100 +0 -0.6786 C( 319 SER 41) 14.42400000 +0 20.28800000 +0 34.59100000 +0 -0.0102 O( 320 SER 41) 15.11900000 +0 19.11200000 +0 34.95200000 +0 -0.5896 N( 321 ILE* 42) 14.73900000 +0 22.67200100 +0 32.22800100 +0 -0.4881 C( 322 ILE* 42) 14.01600000 +0 23.70500000 +0 31.49099900 +0 -0.0392 C( 323 ILE* 42) 12.51000000 +0 23.46999900 +0 31.58099900 +0 0.5713 O( 324 ILE* 42) 12.05000000 +0 22.33099900 +0 31.70200000 +0 -0.6262 C( 325 ILE 42) 14.49000000 +0 23.80100100 +0 30.01199900 +0 -0.0755 C( 326 ILE 42) 14.12500000 +0 22.53599900 +0 29.21900000 +0 -0.2687 C( 327 ILE 42) 15.98400000 +0 24.09499900 +0 29.95500000 +0 -0.4796 C( 328 ILE 42) 14.39100000 +0 22.66300000 +0 27.71900000 +0 -0.4421 N( 329 SER* 43) 11.74700000 +0 24.55500000 +0 31.52500000 +0 -0.5178 C( 330 SER* 43) 10.30000000 +0 24.47300000 +0 31.64100100 +0 -0.0286 C( 331 SER* 43) 9.64800000 +0 23.92499900 +0 30.38200000 +0 0.5851 O( 332 SER* 43) 10.25200000 +0 23.91900100 +0 29.30800100 +0 -0.6056 C( 333 SER 43) 9.73500000 +0 25.85400000 +0 31.94199900 +0 -0.0119 O( 334 SER 43) 9.95800000 +0 26.71200000 +0 30.83700000 +0 -0.6169 N( 335 GLU* 44) 8.40100000 +0 23.48500100 +0 30.52500000 +0 -0.5647 C( 336 GLU* 44) 7.58800000 +0 23.08900100 +0 29.38100100 +0 0.0030 C( 337 GLU* 44) 7.48200000 +0 24.22200000 +0 28.36400000 +0 0.5759 O( 338 GLU* 44) 7.45900000 +0 23.96999900 +0 27.16400000 +0 -0.6313 C( 339 GLU 44) 6.19700000 +0 22.63900000 +0 29.82600000 +0 -0.2711 C( 340 GLU 44) 6.21600000 +0 21.38600000 +0 30.68499900 +0 -0.3965 C( 341 GLU 44) 4.98400000 +0 20.50600100 +0 30.50600100 +0 0.5991 O( 342 GLU 44) 3.96300000 +0 20.97699900 +0 29.95299900 +0 -0.4104 O( 343 GLU 44) 5.04200000 +0 19.33000000 +0 30.92200100 +0 -0.5334 N( 344 MET* 45) 7.44200000 +0 25.46400100 +0 28.84700000 +0 -0.5596 C( 345 MET* 45) 7.41800000 +0 26.62900000 +0 27.96100000 +0 0.0048 C( 346 MET* 45) 8.65500000 +0 26.64399900 +0 27.06500100 +0 0.5970 O( 347 MET* 45) 8.54900000 +0 26.85000000 +0 25.85199900 +0 -0.6803 C( 348 MET 45) 7.30800000 +0 27.93400000 +0 28.76000000 +0 -0.2954 C( 349 MET 45) 7.24000000 +0 29.20100000 +0 27.89900000 +0 -0.3314 S( 350 MET 45) 8.84900000 +0 29.81500100 +0 27.35700000 +0 0.0149 C( 351 MET 45) 9.47200000 +0 30.53300100 +0 28.87400100 +0 -0.5317 N( 352 LEU* 46) 9.82300000 +0 26.42200100 +0 27.66500100 +0 -0.5291 C( 353 LEU* 46) 11.07700000 +0 26.35400000 +0 26.91700000 +0 0.0011 C( 354 LEU* 46) 11.06400000 +0 25.21600000 +0 25.91400000 +0 0.5766 O( 355 LEU* 46) 11.48800000 +0 25.38400100 +0 24.76899900 +0 -0.6350 C( 356 LEU 46) 12.28100000 +0 26.19599900 +0 27.86000100 +0 -0.3113 C( 357 LEU 46) 13.20700000 +0 27.39800100 +0 28.07200100 +0 -0.0298 C( 358 LEU 46) 13.84300000 +0 27.86700100 +0 26.76300000 +0 -0.4624 C( 359 LEU 46) 12.46100000 +0 28.53300100 +0 28.75000000 +0 -0.4776 N( 360 GLU* 47) 10.57600000 +0 24.05800100 +0 26.35199900 +0 -0.5423 C( 361 GLU* 47) 10.48500000 +0 22.88999900 +0 25.48399900 +0 0.0103 C( 362 GLU* 47) 9.59400000 +0 23.15099900 +0 24.27300100 +0 0.5761 O( 363 GLU* 47) 9.97400000 +0 22.80500000 +0 23.15600000 +0 -0.6399 C( 364 GLU 47) 10.00100000 +0 21.66600000 +0 26.26400000 +0 -0.2682 C( 365 GLU 47) 11.02300000 +0 21.12299900 +0 27.25700000 +0 -0.4013 C( 366 GLU 47) 10.49000000 +0 19.97300000 +0 28.09900100 +0 0.7035 O( 367 GLU 47) 9.25400000 +0 19.83499900 +0 28.21999900 +0 -0.5982 O( 368 GLU 47) 11.31100000 +0 19.21200000 +0 28.64800100 +0 -0.5573 N( 369 ARG* 48) 8.43200000 +0 23.77100000 +0 24.50000000 +0 -0.5636 C( 370 ARG* 48) 8.08300000 +0 25.13900000 +0 22.47900000 +0 0.5588 O( 371 ARG* 48) 7.96100000 +0 25.02599900 +0 21.25600100 +0 -0.6431 C( 372 ARG* 48) 7.49000000 +0 24.10100000 +0 23.42300000 +0 0.0098 C( 373 ARG 48) 6.16300000 +0 24.62500000 +0 23.98300000 +0 -0.2908 C( 374 ARG 48) 5.40900000 +0 23.65500100 +0 24.87800000 +0 -0.3218 C( 375 ARG 48) 4.01200000 +0 24.17200100 +0 25.17900100 +0 -0.0799 N( 376 ARG 48) 3.63000000 +0 23.95400000 +0 26.57500100 +0 -0.6102 C( 377 ARG 48) 3.05500000 +0 22.85000000 +0 27.04500000 +0 0.5579 N( 378 ARG 48) 2.78200000 +0 21.83000000 +0 26.23900000 +0 -0.6227 N( 379 ARG 48) 2.75000000 +0 22.76899900 +0 28.33300000 +0 -0.7239 N( 380 THR* 49) 8.72600000 +0 26.15399900 +0 23.05200000 +0 -0.5289 C( 381 THR* 49) 9.35500000 +0 27.20599900 +0 22.25900100 +0 -0.0730 C( 382 THR* 49) 10.41700000 +0 26.60800000 +0 21.33600000 +0 0.5692 O( 383 THR* 49) 10.45800000 +0 26.91799900 +0 20.14300000 +0 -0.6337 C( 384 THR 49) 9.96200000 +0 28.30200000 +0 23.15900000 +0 0.1742 O( 385 THR 49) 8.94500000 +0 28.81200000 +0 24.02899900 +0 -0.5827 C( 386 THR 49) 10.52400000 +0 29.44400000 +0 22.32099900 +0 -0.4809 N( 387 MET* 50) 11.25300000 +0 25.73300000 +0 21.88699900 +0 -0.5415 C( 388 MET* 50) 12.28600000 +0 25.05400100 +0 21.11100000 +0 -0.0008 C( 389 MET* 50) 11.68300000 +0 24.19199900 +0 20.00400000 +0 0.5537 O( 390 MET* 50) 12.14100000 +0 24.24200100 +0 18.86000100 +0 -0.6011 C( 391 MET 50) 13.17300000 +0 24.20999900 +0 22.02100000 +0 -0.2982 C( 392 MET 50) 14.17600000 +0 25.02599900 +0 22.82200100 +0 -0.3333 S( 393 MET 50) 14.88800000 +0 24.10600100 +0 24.19700100 +0 0.0569 C( 394 MET 50) 15.66200000 +0 22.74600000 +0 23.33499900 +0 -0.5191 N( 395 ASP* 51) 10.65600000 +0 23.41600000 +0 20.35300100 +0 -0.5548 C( 396 ASP* 51) 9.93400000 +0 22.57399900 +0 19.39200000 +0 0.0280 C( 397 ASP* 51) 9.33000000 +0 23.37299900 +0 18.23900000 +0 0.5565 O( 398 ASP* 51) 9.31600000 +0 22.90700000 +0 17.09700000 +0 -0.6020 C( 399 ASP 51) 8.83400000 +0 21.77100000 +0 20.09499900 +0 -0.3665 C( 400 ASP 51) 9.37700000 +0 20.58300000 +0 20.87100000 +0 0.6541 O( 401 ASP 51) 10.52500000 +0 20.15800100 +0 20.60899900 +0 -0.5655 O( 402 ASP 51) 8.64700000 +0 20.06500100 +0 21.74300000 +0 -0.5159 N( 403 GLN* 52) 8.84100000 +0 24.57200100 +0 18.54299900 +0 -0.5522 C( 404 GLN* 52) 8.21200000 +0 25.43000000 +0 17.54000100 +0 -0.0013 C( 405 GLN* 52) 9.24100000 +0 26.23900000 +0 16.74000000 +0 0.5600 O( 406 GLN* 52) 8.89100000 +0 26.90200000 +0 15.75500000 +0 -0.6102 C( 407 GLN 52) 7.15000000 +0 26.32300000 +0 18.18800000 +0 -0.2721 C( 408 GLN 52) 5.91400000 +0 25.54600000 +0 18.65300000 +0 -0.3477 C( 409 GLN 52) 5.03900000 +0 26.31900000 +0 19.62700100 +0 0.6037 O( 410 GLN 52) 4.83300000 +0 27.52599900 +0 19.48399900 +0 -0.5790 N( 411 GLN 52) 4.50600000 +0 25.61700100 +0 20.62100000 +0 -0.6493 N( 412 ARG* 53) 10.50100000 +0 26.17499900 +0 17.18199900 +0 -0.5460 C( 413 ARG* 53) 11.67700000 +0 26.69599900 +0 16.45700100 +0 0.0218 C( 414 ARG* 53) 11.78800000 +0 28.22600000 +0 16.33600000 +0 0.5471 O( 415 ARG* 53) 12.89500000 +0 28.76199900 +0 16.23600000 +0 -0.5935 C( 416 ARG 53) 11.83100000 +0 26.01199900 +0 15.08700000 +0 -0.2950 C( 417 ARG 53) 12.27800000 +0 24.55100100 +0 15.17700000 +0 -0.3104 C( 418 ARG 53) 11.90600000 +0 23.77000000 +0 13.91900000 +0 -0.0716 N( 419 ARG 53) 12.47100000 +0 22.41799900 +0 13.90500000 +0 -0.6338 C( 420 ARG 53) 11.93900000 +0 21.35899900 +0 14.51700000 +0 0.5894 N( 421 ARG 53) 10.81700000 +0 21.47100100 +0 15.22000000 +0 -0.6369 N( 422 ARG 53) 12.53800000 +0 20.17799900 +0 14.43100000 +0 -0.8008 N( 423 SER* 54) 10.65100000 +0 28.91600000 +0 16.36000100 +0 -0.5186 C( 424 SER* 54) 10.61400000 +0 30.37500000 +0 16.24600000 +0 -0.0591 C( 425 SER* 54) 11.08900000 +0 31.04900000 +0 17.53200000 +0 0.5659 O( 426 SER* 54) 10.92000000 +0 30.51000000 +0 18.62700100 +0 -0.5993 C( 427 SER 54) 9.19500000 +0 30.84600100 +0 15.91700000 +0 -0.0289 O( 428 SER 54) 8.80500000 +0 30.44100000 +0 14.61600000 +0 -0.5356 N( 429 SER* 55) 11.68000000 +0 32.23000000 +0 17.39500000 +0 -0.5193 C( 430 SER* 55) 12.00800000 +0 33.03799800 +0 18.55800100 +0 -0.0281 C( 431 SER* 55) 10.72700000 +0 33.61600100 +0 19.13699900 +0 0.5557 O( 432 SER* 55) 9.72300000 +0 33.76900100 +0 18.42900100 +0 -0.5833 C( 433 SER 55) 12.98500000 +0 34.15599800 +0 18.19199900 +0 -0.0159 O( 434 SER 55) 12.42600000 +0 35.02600100 +0 17.22600000 +0 -0.5895 N( 435 VAL* 56) 10.75300000 +0 33.91999800 +0 20.42900100 +0 -0.5299 C( 436 VAL* 56) 9.60800000 +0 34.53799800 +0 21.08300000 +0 -0.0334 C( 437 VAL* 56) 10.01600000 +0 35.75199900 +0 21.90500100 +0 0.5647 O( 438 VAL* 56) 11.14000000 +0 35.83100100 +0 22.41200100 +0 -0.5889 C( 439 VAL 56) 8.78700000 +0 33.53599900 +0 21.95500000 +0 -0.0752 C( 440 VAL 56) 8.20500000 +0 32.41400100 +0 21.09900100 +0 -0.4654 C( 441 VAL 56) 9.62000000 +0 32.96699900 +0 23.08700000 +0 -0.4659 N( 442 LEU* 57) 9.09200000 +0 36.69699900 +0 22.01400000 +0 -0.5444 C( 443 LEU* 57) 9.28000000 +0 37.89400100 +0 22.81200000 +0 0.0009 C( 444 LEU* 57) 8.01600000 +0 38.15100100 +0 23.61300100 +0 0.5701 O( 445 LEU* 57) 6.93200000 +0 38.30400100 +0 23.04800000 +0 -0.6467 C( 446 LEU 57) 9.60500000 +0 39.09299900 +0 21.91500100 +0 -0.3267 C( 447 LEU 57) 9.71900000 +0 40.48300200 +0 22.54700100 +0 -0.0544 C( 448 LEU 57) 10.83800000 +0 40.56200000 +0 23.58700000 +0 -0.4699 C( 449 LEU 57) 9.93000000 +0 41.51599900 +0 21.45400000 +0 -0.4567 N( 450 GLU* 58) 8.16000000 +0 38.17900100 +0 24.93199900 +0 -0.5432 C( 451 GLU* 58) 7.05300000 +0 38.49200100 +0 25.82300000 +0 -0.0144 C( 452 GLU* 58) 7.39400000 +0 39.77100000 +0 26.56300000 +0 0.5830 O( 453 GLU* 58) 8.24000000 +0 39.76400000 +0 27.45000100 +0 -0.6416 C( 454 GLU 58) 6.80900000 +0 37.34500100 +0 26.80299900 +0 -0.2619 C( 455 GLU 58) 6.26500000 +0 36.08100100 +0 26.15900000 +0 -0.4052 C( 456 GLU 58) 4.79300000 +0 36.18299900 +0 25.78000100 +0 0.6422 O( 457 GLU 58) 4.05700000 +0 37.00000000 +0 26.38200000 +0 -0.4919 O( 458 GLU 58) 4.37500000 +0 35.43299900 +0 24.87299900 +0 -0.5258 N( 459 SER* 59) 6.74700000 +0 40.86999900 +0 26.17700000 +0 -0.5559 C( 460 SER* 59) 7.05500000 +0 42.19300100 +0 26.72400100 +0 -0.0571 C( 461 SER* 59) 6.36300000 +0 42.48500100 +0 28.05699900 +0 0.5642 O( 462 SER* 59) 6.79600000 +0 43.36899900 +0 28.80400100 +0 -0.5709 C( 463 SER 59) 6.72600000 +0 43.28699900 +0 25.70200000 +0 -0.0125 O( 464 SER 59) 5.39100000 +0 43.17599900 +0 25.24399900 +0 -0.5664 N( 465 ASP* 60) 5.29500000 +0 41.74300000 +0 28.34499900 +0 -0.5408 C( 466 ASP* 60) 4.56500000 +0 41.86299900 +0 29.60899900 +0 0.0049 C( 467 ASP* 60) 4.17100000 +0 40.46799900 +0 30.10600100 +0 0.5176 O( 468 ASP* 60) 3.00800000 +0 40.06100100 +0 30.02100000 +0 -0.5256 C( 469 ASP 60) 3.33600000 +0 42.77199900 +0 29.44300100 +0 -0.3720 C( 470 ASP 60) 2.70000000 +0 43.16299800 +0 30.77300100 +0 0.7292 O( 471 ASP 60) 3.43500000 +0 43.45600100 +0 31.74500100 +0 -0.6806 O( 472 ASP 60) 1.45000000 +0 43.19400000 +0 30.83799900 +0 -0.5459 N( 473 ALA* 61) 5.16200000 +0 39.74399900 +0 30.62000100 +0 -0.5585 C( 474 ALA* 61) 4.99500000 +0 38.34299900 +0 31.01100000 +0 0.0293 C( 475 ALA* 61) 4.22400000 +0 38.15700100 +0 32.31800100 +0 0.5500 O( 476 ALA* 61) 3.43500000 +0 37.21300100 +0 32.44300100 +0 -0.5879 C( 477 ALA 61) 6.35400000 +0 37.65300000 +0 31.09199900 +0 -0.4657 N( 478 LYS* 62) 4.46200000 +0 39.05500000 +0 33.27700000 +0 -0.5362 C( 479 LYS* 62) 3.92100000 +0 38.98400100 +0 34.64899800 +0 0.0202 C( 480 LYS* 62) 4.54300000 +0 37.83300000 +0 35.43600100 +0 0.5875 O( 481 LYS* 62) 5.11500000 +0 38.03599900 +0 36.50999800 +0 -0.6759 C( 482 LYS 62) 2.38700000 +0 38.89400100 +0 34.66600000 +0 -0.3051 C( 483 LYS 62) 1.68200000 +0 40.00500100 +0 33.90700100 +0 -0.2614 C( 484 LYS 62) 0.17600000 +0 39.81600200 +0 33.92800100 +0 -0.2973 C( 485 LYS 62) -0.50400000 +0 40.64099900 +0 32.84400200 +0 -0.1142 N( 486 LYS 62) -0.23400000 +0 42.10500000 +0 32.97200000 +0 -0.6535 N( 487 SER* 63) 4.42000000 +0 36.62799800 +0 34.88700100 +0 -0.5433 C( 488 SER* 63) 5.01600000 +0 35.43600100 +0 35.47000100 +0 -0.0665 C( 489 SER* 63) 5.46300000 +0 34.48899800 +0 34.36399800 +0 0.5384 O( 490 SER* 63) 4.85600000 +0 34.43700000 +0 33.29200000 +0 -0.5392 C( 491 SER 63) 4.02600000 +0 34.73899800 +0 36.40599800 +0 0.0097 O( 492 SER 63) 4.65600000 +0 33.68899900 +0 37.11600100 +0 -0.6342 N( 493 VAL* 64) 6.53500000 +0 33.74800100 +0 34.63000100 +0 -0.5454 C( 494 VAL* 64) 7.05200000 +0 32.77800000 +0 33.67100100 +0 -0.0163 C( 495 VAL* 64) 7.67800000 +0 31.60500000 +0 34.40900000 +0 0.6021 O( 496 VAL* 64) 8.19300000 +0 31.76300000 +0 35.51599900 +0 -0.6560 C( 497 VAL 64) 8.10000000 +0 33.41199900 +0 32.70200000 +0 -0.0608 C( 498 VAL 64) 9.39700000 +0 33.74499900 +0 33.42400000 +0 -0.4642 C( 499 VAL 64) 8.38400000 +0 32.48799900 +0 31.53400000 +0 -0.4809 N( 500 GLN* 65) 7.61900000 +0 30.43400000 +0 33.78799800 +0 -0.5287 C( 501 GLN* 65) 8.44100000 +0 29.31699900 +0 34.21300100 +0 -0.0137 C( 502 GLN* 65) 9.63500000 +0 29.20900000 +0 33.28300100 +0 0.5693 O( 503 GLN* 65) 9.47500000 +0 28.97800100 +0 32.07799900 +0 -0.6624 C( 504 GLN 65) 7.65300000 +0 28.01499900 +0 34.19900100 +0 -0.2628 C( 505 GLN 65) 6.52900000 +0 27.96200000 +0 35.21200200 +0 -0.3554 C( 506 GLN 65) 5.92100000 +0 26.57900000 +0 35.33000200 +0 0.6328 O( 507 GLN 65) 6.35400000 +0 25.62900000 +0 34.66999800 +0 -0.7070 N( 508 GLN 65) 4.90000000 +0 26.45900000 +0 36.17300000 +0 -0.6244 N( 509 LEU* 66) 10.82200000 +0 29.40099900 +0 33.84700000 +0 -0.5508 C( 510 LEU* 66) 12.07600000 +0 29.14500000 +0 33.14300200 +0 -0.0096 C( 511 LEU* 66) 12.58000000 +0 27.76700000 +0 33.54600100 +0 0.5460 O( 512 LEU* 66) 13.02800000 +0 26.98300000 +0 32.70700100 +0 -0.5748 C( 513 LEU 66) 13.11200000 +0 30.21800000 +0 33.47100100 +0 -0.3091 C( 514 LEU 66) 12.73800000 +0 31.64300000 +0 33.04999900 +0 -0.0461 C( 515 LEU 66) 13.77900000 +0 32.63000100 +0 33.54399900 +0 -0.4673 C( 516 LEU 66) 12.54500000 +0 31.75099900 +0 31.53599900 +0 -0.4530 N( 517 VAL* 67) 12.47600000 +0 27.48600000 +0 34.84000000 +0 -0.5473 C( 518 VAL* 67) 12.73600000 +0 26.15800100 +0 35.39199800 +0 -0.0192 C( 519 VAL* 67) 11.37700000 +0 25.49200100 +0 35.51900100 +0 0.5702 O( 520 VAL* 67) 10.42600000 +0 26.11400000 +0 35.99399900 +0 -0.6505 C( 521 VAL 67) 13.42400000 +0 26.25400000 +0 36.77600100 +0 -0.0762 C( 522 VAL 67) 13.60400000 +0 24.86500000 +0 37.41000000 +0 -0.4713 C( 523 VAL 67) 14.76600000 +0 26.95599900 +0 36.64400100 +0 -0.4428 N( 524 ASN* 68) 11.27300000 +0 24.23700000 +0 35.08800100 +0 -0.5445 C( 525 ASN* 68) 9.97000000 +0 23.57600000 +0 35.05300100 +0 0.0203 C( 526 ASN* 68) 9.26100000 +0 23.57799900 +0 36.39600000 +0 0.5685 O( 527 ASN* 68) 9.85900000 +0 23.26300000 +0 37.42400000 +0 -0.6179 C( 528 ASN 68) 10.06400000 +0 22.15099900 +0 34.50899900 +0 -0.4061 C( 529 ASN 68) 8.74900000 +0 21.67700000 +0 33.91899900 +0 0.6333 O( 530 ASN 68) 8.00200000 +0 22.46400100 +0 33.32700000 +0 -0.6685 N( 531 ASN 68) 8.45800000 +0 20.39100100 +0 34.07099900 +0 -0.5934 N( 532 GLY* 69) 7.98900000 +0 23.95800000 +0 36.36899900 +0 -0.5355 C( 533 GLY* 69) 7.17000000 +0 24.03200000 +0 37.57799900 +0 -0.1614 C( 534 GLY* 69) 7.42700000 +0 25.23900000 +0 38.46600000 +0 0.5825 O( 535 GLY* 69) 6.68100000 +0 25.47800100 +0 39.41899900 +0 -0.6585 N( 536 ILE* 70) 8.47300000 +0 26.00600100 +0 38.16899900 +0 -0.5116 C( 537 ILE* 70) 8.83000000 +0 27.14500000 +0 39.01100200 +0 -0.0393 C( 538 ILE* 70) 8.26000000 +0 28.44400000 +0 38.44800200 +0 0.5693 O( 539 ILE* 70) 8.82700000 +0 29.04400100 +0 37.52999900 +0 -0.6066 C( 540 ILE 70) 10.36800000 +0 27.26300000 +0 39.23300200 +0 -0.0902 C( 541 ILE 70) 10.93900000 +0 25.96999900 +0 39.83800100 +0 -0.2715 C( 542 ILE 70) 10.70500000 +0 28.48200000 +0 40.10300100 +0 -0.4604 C( 543 ILE 70) 10.42200000 +0 25.63999900 +0 41.23300200 +0 -0.4310 N( 544 ASP* 71) 7.12900000 +0 28.86700100 +0 39.00299800 +0 -0.5379 C( 545 ASP* 71) 6.55600000 +0 30.16200100 +0 38.66500100 +0 0.0226 C( 546 ASP* 71) 7.44900000 +0 31.26800000 +0 39.20200000 +0 0.5561 O( 547 ASP* 71) 7.75700000 +0 31.31300000 +0 40.39600000 +0 -0.6273 C( 548 ASP 71) 5.14000000 +0 30.30200000 +0 39.23000000 +0 -0.4448 C( 549 ASP 71) 4.14700000 +0 29.37800000 +0 38.55099900 +0 0.6890 O( 550 ASP 71) 4.19500000 +0 29.23700000 +0 37.30799900 +0 -0.5535 O( 551 ASP 71) 3.30200000 +0 28.79400100 +0 39.26499900 +0 -0.4839 N( 552 GLU* 72) 7.87800000 +0 32.13999900 +0 38.29900000 +0 -0.5124 C( 553 GLU* 72) 8.72000000 +0 33.26499900 +0 38.64600000 +0 -0.0057 C( 554 GLU* 72) 8.06400000 +0 34.54700100 +0 38.19200100 +0 0.5655 O( 555 GLU* 72) 7.64700000 +0 34.65499900 +0 37.03799800 +0 -0.5926 C( 556 GLU 72) 10.07200000 +0 33.14899800 +0 37.95399900 +0 -0.2947 C( 557 GLU 72) 11.06500000 +0 32.27999900 +0 38.66000000 +0 -0.3399 C( 558 GLU 72) 12.43100000 +0 32.40800100 +0 38.04299900 +0 0.6694 O( 559 GLU 72) 13.02700000 +0 33.50199900 +0 38.15700100 +0 -0.5911 O( 560 GLU 72) 12.90600000 +0 31.42400000 +0 37.44200100 +0 -0.5509 N( 561 ASP* 73) 7.97100000 +0 35.51200100 +0 39.10300100 +0 -0.5459 C( 562 ASP* 73) 7.58600000 +0 36.86600100 +0 38.73799900 +0 0.0255 C( 563 ASP* 73) 8.59600000 +0 37.36700100 +0 37.71099900 +0 0.5646 O( 564 ASP* 73) 9.80900000 +0 37.23799900 +0 37.90100100 +0 -0.6319 C( 565 ASP 73) 7.57400000 +0 37.78300100 +0 39.96300100 +0 -0.4343 C( 566 ASP 73) 6.45100000 +0 37.45900000 +0 40.93399800 +0 0.6759 O( 567 ASP 73) 5.52700000 +0 36.69300100 +0 40.57700000 +0 -0.5367 O( 568 ASP 73) 6.49600000 +0 37.98899800 +0 42.06600200 +0 -0.5109 N( 569 MET* 74) 8.08500000 +0 37.91099900 +0 36.61299900 +0 -0.5129 C( 570 MET* 74) 8.92500000 +0 38.31200000 +0 35.49499900 +0 -0.0073 C( 571 MET* 74) 8.27700000 +0 39.45800000 +0 34.74800100 +0 0.5543 O( 572 MET* 74) 7.10300000 +0 39.37699900 +0 34.39699900 +0 -0.5535 C( 573 MET 74) 9.10900000 +0 37.13499800 +0 34.53300100 +0 -0.3023 C( 574 MET 74) 10.28200000 +0 37.28599900 +0 33.58100100 +0 -0.3254 S( 575 MET 74) 11.81500000 +0 37.49499900 +0 34.48199800 +0 -0.0342 C( 576 MET 74) 12.00400000 +0 35.87500000 +0 35.23799900 +0 -0.5040 N( 577 ASN* 75) 9.04300000 +0 40.51400000 +0 34.48799900 +0 -0.5563 C( 578 ASN* 75) 8.52900000 +0 41.60500000 +0 33.67100100 +0 0.0148 C( 579 ASN* 75) 8.42200000 +0 41.16400100 +0 32.22200000 +0 0.5787 O( 580 ASN* 75) 7.36700000 +0 41.27399800 +0 31.60899900 +0 -0.6404 C( 581 ASN 75) 9.38800000 +0 42.86700100 +0 33.79100000 +0 -0.4196 C( 582 ASN 75) 8.67800000 +0 44.11200000 +0 33.25999800 +0 0.6131 O( 583 ASN 75) 9.21600000 +0 44.83700200 +0 32.42400000 +0 -0.6387 N( 584 ASN 75) 7.46400000 +0 44.35699800 +0 33.74399900 +0 -0.6309 N( 585 SER* 76) 9.51700000 +0 40.63299900 +0 31.68499900 +0 -0.5323 C( 586 SER* 76) 9.54700000 +0 40.21799900 +0 30.29200000 +0 -0.0547 C( 587 SER* 76) 10.68800000 +0 39.25700000 +0 30.02700000 +0 0.5802 O( 588 SER* 76) 11.62500000 +0 39.14799900 +0 30.82300000 +0 -0.6446 C( 589 SER 76) 9.68100000 +0 41.43199900 +0 29.36599900 +0 0.0017 O( 590 SER 76) 10.79600000 +0 42.20299900 +0 29.71999900 +0 -0.6452 N( 591 TYR* 77) 10.60400000 +0 38.56900000 +0 28.89600000 +0 -0.5379 C( 592 TYR* 77) 11.65500000 +0 37.65100100 +0 28.49099900 +0 -0.0011 C( 593 TYR* 77) 11.61100000 +0 37.43000000 +0 26.99600000 +0 0.5731 O( 594 TYR* 77) 10.60300000 +0 37.69300100 +0 26.33700000 +0 -0.6503 C( 595 TYR 77) 11.53100000 +0 36.30899800 +0 29.23600000 +0 -0.2892 C( 596 TYR 77) 10.31600000 +0 35.49399900 +0 28.85600100 +0 -0.0653 C( 597 TYR 77) 10.38200000 +0 34.54499800 +0 27.83600000 +0 -0.1093 C( 598 TYR 77) 9.10000000 +0 35.66500100 +0 29.51899900 +0 -0.1088 C( 599 TYR 77) 9.27200000 +0 33.80199800 +0 27.47300000 +0 -0.2937 C( 600 TYR 77) 7.98400000 +0 34.91899900 +0 29.16600000 +0 -0.2505 C( 601 TYR 77) 8.07900000 +0 33.98400100 +0 28.14800100 +0 0.2766 O( 602 TYR 77) 6.97500000 +0 33.23899800 +0 27.78900000 +0 -0.5085 N( 603 THR* 78) 12.71300000 +0 36.92499900 +0 26.46600000 +0 -0.5216 C( 604 THR* 78) 12.78000000 +0 36.56900000 +0 25.06800100 +0 -0.0850 C( 605 THR* 78) 13.58500000 +0 35.27800000 +0 24.92400000 +0 0.5747 O( 606 THR* 78) 14.51500000 +0 35.02700000 +0 25.70500000 +0 -0.6602 C( 607 THR 78) 13.32300000 +0 37.74100100 +0 24.21500000 +0 0.1621 O( 608 THR 78) 13.27500000 +0 37.38600200 +0 22.83099900 +0 -0.5003 C( 609 THR 78) 14.74600000 +0 38.13299900 +0 24.62100000 +0 -0.5165 N( 610 VAL* 79) 13.20300000 +0 34.45000100 +0 23.95599900 +0 -0.5285 C( 611 VAL* 79) 13.82100000 +0 33.14199800 +0 23.76600100 +0 -0.0608 C( 612 VAL* 79) 14.17600000 +0 32.91799900 +0 22.30500000 +0 0.5810 O( 613 VAL* 79) 13.34600000 +0 33.12400100 +0 21.42400000 +0 -0.6502 C( 614 VAL 79) 12.91200000 +0 31.96600000 +0 24.25200100 +0 -0.0793 C( 615 VAL 79) 13.63300000 +0 30.62400100 +0 24.12200000 +0 -0.4662 C( 616 VAL 79) 12.44700000 +0 32.18100000 +0 25.68800000 +0 -0.4521 N( 617 GLY* 80) 15.40800000 +0 32.47900000 +0 22.07600000 +0 -0.5219 C( 618 GLY* 80) 15.87800000 +0 32.12500000 +0 20.74600000 +0 -0.1705 C( 619 GLY* 80) 16.28800000 +0 30.66900100 +0 20.71500000 +0 0.5837 O( 620 GLY* 80) 17.35199900 +0 30.32099900 +0 21.21299900 +0 -0.6573 N( 621 PRO* 81) 15.42800000 +0 29.79600000 +0 20.16400000 +0 -0.4416 C( 622 PRO* 81) 15.80500000 +0 28.39300000 +0 20.00400000 +0 -0.0054 C( 623 PRO* 81) 17.05999900 +0 28.22100100 +0 19.15800100 +0 0.5581 O( 624 PRO* 81) 17.22100100 +0 28.89900000 +0 18.13900000 +0 -0.6160 C( 625 PRO 81) 14.59300000 +0 27.78700100 +0 19.28400000 +0 -0.2897 C( 626 PRO 81) 13.46300000 +0 28.64300000 +0 19.69199900 +0 -0.2831 C( 627 PRO 81) 14.04300000 +0 30.03800000 +0 19.72600000 +0 -0.0583 N( 628 ILE* 82) 17.94100000 +0 27.32900000 +0 19.60199900 +0 -0.5510 C( 629 ILE* 82) 19.13900000 +0 26.97400100 +0 18.85899900 +0 -0.0153 C( 630 ILE* 82) 18.78200000 +0 25.76899900 +0 18.00499900 +0 0.5867 O( 631 ILE* 82) 18.52599900 +0 24.68300100 +0 18.52700000 +0 -0.6514 C( 632 ILE 82) 20.31800100 +0 26.62800000 +0 19.79700100 +0 -0.0887 C( 633 ILE 82) 20.58900100 +0 27.78100000 +0 20.77300100 +0 -0.2584 C( 634 ILE 82) 21.56900000 +0 26.30999900 +0 18.99099900 +0 -0.4660 C( 635 ILE 82) 21.57700000 +0 27.44199900 +0 21.88400100 +0 -0.4363 N( 636 VAL* 83) 18.73800100 +0 25.97900000 +0 16.69500000 +0 -0.5354 C( 637 VAL* 83) 18.30699900 +0 24.94199900 +0 15.76200000 +0 -0.0332 C( 638 VAL* 83) 19.45299900 +0 24.60500000 +0 14.80800000 +0 0.5999 O( 639 VAL* 83) 19.86400000 +0 25.43400000 +0 13.99500000 +0 -0.7195 C( 640 VAL 83) 17.02100000 +0 25.36000100 +0 14.99100000 +0 -0.0726 C( 641 VAL 83) 16.57900000 +0 24.26300000 +0 14.02500000 +0 -0.4622 C( 642 VAL 83) 15.89000000 +0 25.69300100 +0 15.96200000 +0 -0.4518 N( 643 ALA* 84) 19.97800100 +0 23.38900000 +0 14.93900000 +0 -0.5199 C( 644 ALA* 84) 21.07600000 +0 22.92100000 +0 14.10100000 +0 0.0002 C( 645 ALA* 84) 20.61100000 +0 21.76300000 +0 13.22800000 +0 0.5406 O( 646 ALA* 84) 20.12599900 +0 20.74600000 +0 13.73500000 +0 -0.5716 C( 647 ALA 84) 22.26600100 +0 22.51000000 +0 14.95500000 +0 -0.4504 N( 648 ASN* 85) 20.75900100 +0 21.93100000 +0 11.91400000 +0 -0.5744 C( 649 ASN* 85) 20.29500000 +0 20.94700100 +0 10.92900000 +0 0.0309 C( 650 ASN* 85) 18.80699900 +0 20.60800000 +0 11.10100000 +0 0.5308 O( 651 ASN* 85) 18.40800100 +0 19.44000100 +0 11.02300000 +0 -0.5339 C( 652 ASN 85) 21.16000000 +0 19.67499900 +0 10.97300000 +0 -0.3840 C( 653 ASN 85) 22.64900000 +0 19.96900000 +0 10.84500000 +0 0.5921 O( 654 ASN 85) 23.07799900 +0 20.71299900 +0 9.95900000 +0 -0.5722 N( 655 ASN 85) 23.44400000 +0 19.37700100 +0 11.73000000 +0 -0.6402 N( 656 GLY* 86) 17.99700000 +0 21.63600000 +0 11.35100000 +0 -0.5549 C( 657 GLY* 86) 16.55200000 +0 21.47300000 +0 11.52700000 +0 -0.1555 C( 658 GLY* 86) 16.11200000 +0 20.95100000 +0 12.88700000 +0 0.5775 O( 659 GLY* 86) 14.91200000 +0 20.87299900 +0 13.16400000 +0 -0.6210 N( 660 ASP* 87) 17.08099900 +0 20.61100000 +0 13.73600000 +0 -0.5278 C( 661 ASP* 87) 16.81800100 +0 20.02199900 +0 15.04900000 +0 0.0252 C( 662 ASP* 87) 17.10199900 +0 21.02899900 +0 16.17300000 +0 0.5713 O( 663 ASP* 87) 18.20500000 +0 21.57399900 +0 16.24300000 +0 -0.6738 C( 664 ASP 87) 17.68499900 +0 18.76899900 +0 15.22700000 +0 -0.3706 C( 665 ASP 87) 17.36700100 +0 17.99799900 +0 16.50000000 +0 0.6648 O( 666 ASP 87) 16.17200100 +0 17.83000000 +0 16.83400000 +0 -0.5903 O( 667 ASP 87) 18.32600000 +0 17.54200000 +0 17.16000000 +0 -0.5344 N( 668 PRO* 88) 16.10800000 +0 21.27800000 +0 17.05200000 +0 -0.4293 C( 669 PRO* 88) 16.34800000 +0 22.12000100 +0 18.22800100 +0 0.0057 C( 670 PRO* 88) 17.28599900 +0 21.42100000 +0 19.20100000 +0 0.5635 O( 671 PRO* 88) 17.03599900 +0 20.27800000 +0 19.59600100 +0 -0.5963 C( 672 PRO 88) 14.95400000 +0 22.28100000 +0 18.85100000 +0 -0.2653 C( 673 PRO 88) 13.99300000 +0 21.85000000 +0 17.78900000 +0 -0.2825 C( 674 PRO 88) 14.71300000 +0 20.81399900 +0 16.99700000 +0 -0.0776 N( 675 ILE* 89) 18.37000100 +0 22.09800000 +0 19.55999900 +0 -0.5617 C( 676 ILE* 89) 19.39399900 +0 21.51499900 +0 20.41900100 +0 -0.0320 C( 677 ILE* 89) 19.58300000 +0 22.32700000 +0 21.70200000 +0 0.5775 O( 678 ILE* 89) 20.37100000 +0 21.95800000 +0 22.57600000 +0 -0.7110 C( 679 ILE 89) 20.75000000 +0 21.35300100 +0 19.67900100 +0 -0.0942 C( 680 ILE 89) 21.28100000 +0 22.70800000 +0 19.19700100 +0 -0.2716 C( 681 ILE 89) 20.61300100 +0 20.37599900 +0 18.50799900 +0 -0.4730 C( 682 ILE 89) 22.76100000 +0 22.70500000 +0 18.85100000 +0 -0.4354 N( 683 GLY* 90) 18.86000100 +0 23.43800000 +0 21.79500000 +0 -0.4830 C( 684 GLY* 90) 18.94000100 +0 24.31399900 +0 22.95400000 +0 -0.1943 C( 685 GLY* 90) 18.20599900 +0 25.62100000 +0 22.74399900 +0 0.6086 O( 686 GLY* 90) 17.40500100 +0 25.75900100 +0 21.82200100 +0 -0.6788 N( 687 ALA* 91) 18.46800000 +0 26.58600000 +0 23.62100000 +0 -0.5077 C( 688 ALA* 91) 17.86100000 +0 27.90900000 +0 23.50700000 +0 0.0310 C( 689 ALA* 91) 18.67200100 +0 28.93800000 +0 24.26499900 +0 0.5879 O( 690 ALA* 91) 19.41700000 +0 28.60700000 +0 25.19100000 +0 -0.6346 C( 691 ALA 91) 16.42100000 +0 27.90099900 +0 24.01199900 +0 -0.4828 N( 692 VAL* 92) 18.53800000 +0 30.18400000 +0 23.83099900 +0 -0.5448 C( 693 VAL* 92) 19.13200000 +0 31.31699900 +0 24.51100000 +0 -0.0149 C( 694 VAL* 92) 17.97400100 +0 32.14099900 +0 25.05500000 +0 0.5891 O( 695 VAL* 92) 17.01600100 +0 32.43600100 +0 24.33000000 +0 -0.6848 C( 696 VAL 92) 19.98500100 +0 32.16799900 +0 23.54900000 +0 -0.0827 C( 697 VAL 92) 20.61000100 +0 33.35100200 +0 24.28200000 +0 -0.4660 C( 698 VAL 92) 21.07500100 +0 31.32300000 +0 22.88999900 +0 -0.4500 N( 699 VAL* 93) 18.04600000 +0 32.48199800 +0 26.33799900 +0 -0.5229 C( 700 VAL* 93) 16.98399900 +0 33.21400100 +0 27.00600100 +0 -0.0383 C( 701 VAL* 93) 17.56600000 +0 34.47800100 +0 27.60199900 +0 0.5809 O( 702 VAL* 93) 18.62599900 +0 34.44200100 +0 28.22800100 +0 -0.6550 C( 703 VAL 93) 16.36100000 +0 32.39500000 +0 28.15000000 +0 -0.0793 C( 704 VAL 93) 15.21500000 +0 33.16000000 +0 28.81300000 +0 -0.4680 C( 705 VAL 93) 15.89200000 +0 31.03500000 +0 27.65300000 +0 -0.4514 N( 706 ILE* 94) 16.88900000 +0 35.60300100 +0 27.38600000 +0 -0.5429 C( 707 ILE* 94) 17.22800100 +0 36.83800100 +0 28.08099900 +0 -0.0460 C( 708 ILE* 94) 15.97400000 +0 37.29600100 +0 28.78200000 +0 0.6020 O( 709 ILE* 94) 14.89800000 +0 37.26599900 +0 28.19800000 +0 -0.6844 C( 710 ILE 94) 17.77199900 +0 37.92800100 +0 27.12599900 +0 -0.0841 C( 711 ILE 94) 19.04100000 +0 37.42800100 +0 26.42100000 +0 -0.2692 C( 712 ILE 94) 18.10199900 +0 39.19800200 +0 27.90000000 +0 -0.4658 C( 713 ILE 94) 19.61100000 +0 38.34800000 +0 25.34300000 +0 -0.4472 N( 714 PHE* 95) 16.10100000 +0 37.68000000 +0 30.04800000 +0 -0.5211 C( 715 PHE* 95) 14.92400000 +0 38.02399800 +0 30.83799900 +0 0.0071 C( 716 PHE* 95) 15.22300000 +0 39.11800000 +0 31.84400000 +0 0.5962 O( 717 PHE* 95) 16.38800000 +0 39.41700000 +0 32.13100100 +0 -0.6517 C( 718 PHE 95) 14.33500000 +0 36.78200100 +0 31.53000100 +0 -0.3142 C( 719 PHE 95) 15.18700000 +0 36.22300000 +0 32.64799900 +0 -0.0034 C( 720 PHE 95) 15.08100000 +0 36.72399900 +0 33.94699900 +0 -0.1701 C( 721 PHE 95) 16.07399900 +0 35.18000000 +0 32.40900000 +0 -0.1621 C( 722 PHE 95) 15.85500000 +0 36.20000100 +0 34.98799900 +0 -0.1418 C( 723 PHE 95) 16.85500000 +0 34.65300000 +0 33.44200100 +0 -0.1605 C( 724 PHE 95) 16.74000000 +0 35.15800100 +0 34.73000000 +0 -0.1540 N( 725 SER* 96) 14.15600000 +0 39.70700100 +0 32.38200000 +0 -0.5319 C( 726 SER* 96) 14.28900000 +0 40.75199900 +0 33.38499800 +0 -0.0507 C( 727 SER* 96) 13.07500000 +0 40.78699900 +0 34.28200100 +0 0.6026 O( 728 SER* 96) 11.94000000 +0 40.65900000 +0 33.82300200 +0 -0.6303 C( 729 SER 96) 14.46800000 +0 42.12300100 +0 32.73500100 +0 -0.0124 O( 730 SER 96) 14.71600000 +0 43.10500000 +0 33.72399900 +0 -0.6503 N( 731 LYS* 97) 13.33700000 +0 40.97499800 +0 35.56700100 +0 -0.5455 C( 732 LYS* 97) 12.27100000 +0 41.09600100 +0 36.54399900 +0 -0.0013 C( 733 LYS* 97) 11.67800000 +0 42.50199900 +0 36.55500000 +0 0.5569 O( 734 LYS* 97) 10.54200000 +0 42.68700000 +0 36.99200100 +0 -0.5945 C( 735 LYS 97) 12.77900000 +0 40.72499800 +0 37.93700000 +0 -0.3115 C( 736 LYS 97) 13.14800000 +0 39.25700000 +0 38.08800100 +0 -0.2482 C( 737 LYS 97) 12.70800000 +0 38.72600200 +0 39.43999900 +0 -0.3202 C( 738 LYS 97) 13.07100000 +0 37.25400200 +0 39.62500000 +0 -0.1160 N( 739 LYS 97) 12.38100000 +0 36.33200100 +0 38.67100100 +0 -0.6494 N( 740 ASP* 98) 12.43700000 +0 43.48099900 +0 36.06200000 +0 -0.5442 C( 741 ASP* 98) 12.02300000 +0 44.88600200 +0 36.15499900 +0 0.0007 C( 742 ASP* 98) 12.09300000 +0 45.69500000 +0 34.85500000 +0 0.5698 O( 743 ASP* 98) 11.46800000 +0 46.75600100 +0 34.75199900 +0 -0.6354 C( 744 ASP 98) 12.77800000 +0 45.60699800 +0 37.28799800 +0 -0.3566 C( 745 ASP 98) 14.28900000 +0 45.68600100 +0 37.05799900 +0 0.6353 O( 746 ASP 98) 14.82900000 +0 45.01300000 +0 36.15300000 +0 -0.5866 O( 747 ASP 98) 14.95300000 +0 46.43600100 +0 37.80500000 +0 -0.5081 N( 748 GLN* 99) 12.85200000 +0 45.20900000 +0 33.87599900 +0 -0.4929 C( 749 GLN* 99) 12.98700000 +0 45.91899900 +0 32.60300100 +0 -0.0049 C( 750 GLN* 99) 12.24500000 +0 45.19900100 +0 31.49200100 +0 0.5716 O( 751 GLN* 99) 11.91500000 +0 44.01900100 +0 31.61800000 +0 -0.5882 C( 752 GLN 99) 14.45900000 +0 46.13600200 +0 32.23899800 +0 -0.2756 C( 753 GLN 99) 15.17400000 +0 47.08499900 +0 33.18500100 +0 -0.3753 C( 754 GLN 99) 16.59900100 +0 47.38100100 +0 32.77600100 +0 0.5789 O( 755 GLN 99) 17.53599900 +0 47.10400000 +0 33.52800000 +0 -0.5311 N( 756 GLN 99) 16.77800000 +0 47.93700000 +0 31.58099900 +0 -0.6557 N( 757 THR*100) 11.96600000 +0 45.92400000 +0 30.41300000 +0 -0.5292 C( 758 THR*100) 11.22000000 +0 45.38499800 +0 29.29100000 +0 -0.0790 C( 759 THR*100) 12.16600000 +0 44.94300100 +0 28.18199900 +0 0.5769 O( 760 THR*100) 12.96600000 +0 45.73199800 +0 27.68899900 +0 -0.6725 C( 761 THR 100) 10.21300000 +0 46.41899900 +0 28.73600000 +0 0.1774 O( 762 THR 100) 9.37600000 +0 46.88100100 +0 29.80299900 +0 -0.5789 C( 763 THR 100) 9.34800000 +0 45.79900000 +0 27.64800100 +0 -0.5158 N( 764 MET*101) 12.07300000 +0 43.66899900 +0 27.81600000 +0 -0.5267 C( 765 MET*101) 12.81000000 +0 43.13800000 +0 26.68100000 +0 -0.0057 C( 766 MET*101) 12.16300000 +0 43.67800100 +0 25.42300000 +0 0.5715 O( 767 MET*101) 10.93700000 +0 43.70500200 +0 25.30500000 +0 -0.6446 C( 768 MET 101) 12.80200000 +0 41.60400000 +0 26.69100000 +0 -0.2820 C( 769 MET 101) 13.34500000 +0 40.98400100 +0 27.98200000 +0 -0.3407 S( 770 MET 101) 15.08100000 +0 41.33300000 +0 28.32399900 +0 -0.0101 C( 771 MET 101) 15.00200000 +0 42.88200000 +0 29.21699900 +0 -0.5310 N( 772 GLY*102) 13.00000000 +0 44.14500000 +0 24.50799900 +0 -0.4953 C( 773 GLY*102) 12.53300000 +0 44.66600000 +0 23.23100100 +0 -0.1810 C( 774 GLY*102) 13.25300000 +0 43.99300000 +0 22.08200100 +0 0.5858 O( 775 GLY*102) 13.82900000 +0 42.91400100 +0 22.23300000 +0 -0.6189 N( 776 GLU*103) 13.22400000 +0 44.63600200 +0 20.92200100 +0 -0.5485 C( 777 GLU*103) 13.84900000 +0 44.06000100 +0 19.73200000 +0 0.0005 C( 778 GLU*103) 15.36400000 +0 43.85800200 +0 19.88400100 +0 0.5696 O( 779 GLU*103) 15.93100000 +0 42.92800100 +0 19.31200000 +0 -0.6238 C( 780 GLU 103) 13.52500000 +0 44.88999900 +0 18.49000000 +0 -0.2652 C( 781 GLU 103) 13.86200000 +0 44.18700000 +0 17.18000000 +0 -0.4004 C( 782 GLU 103) 13.02700000 +0 42.93600100 +0 16.89500000 +0 0.6778 O( 783 GLU 103) 12.20800000 +0 42.50799900 +0 17.74099900 +0 -0.5473 O( 784 GLU 103) 13.18800000 +0 42.37900200 +0 15.78800000 +0 -0.5540 N( 785 VAL*104) 16.00700000 +0 44.72200000 +0 20.65900000 +0 -0.5557 C( 786 VAL*104) 17.43100000 +0 44.56300000 +0 20.94800000 +0 -0.0229 C( 787 VAL*104) 17.71800000 +0 43.15499900 +0 21.48200000 +0 0.5822 O( 788 VAL*104) 18.56699900 +0 42.44100200 +0 20.94700100 +0 -0.6172 C( 789 VAL 104) 17.91400000 +0 45.61500200 +0 21.96699900 +0 -0.0900 C( 790 VAL 104) 19.31600000 +0 45.28099800 +0 22.48800100 +0 -0.4582 C( 791 VAL 104) 17.88100100 +0 47.00700000 +0 21.33900100 +0 -0.4669 N( 792 GLU*105) 17.00700000 +0 42.77100000 +0 22.53800000 +0 -0.5731 C( 793 GLU*105) 17.20299900 +0 41.47399900 +0 23.17700000 +0 -0.0044 C( 794 GLU*105) 16.63699900 +0 40.33900100 +0 22.33400000 +0 0.5540 O( 795 GLU*105) 17.20200000 +0 39.23899800 +0 22.29500000 +0 -0.6454 C( 796 GLU 105) 16.55999900 +0 41.46699900 +0 24.56300000 +0 -0.2666 C( 797 GLU 105) 17.21500000 +0 42.41799900 +0 25.55800100 +0 -0.3852 C( 798 GLU 105) 16.75400000 +0 43.86200000 +0 25.41200100 +0 0.7765 O( 799 GLU 105) 15.78500000 +0 44.13100100 +0 24.66300000 +0 -0.6956 O( 800 GLU 105) 17.36000100 +0 44.73199800 +0 26.05400100 +0 -0.6262 N( 801 HIS*106) 15.51200000 +0 40.60699800 +0 21.66799900 +0 -0.5310 C( 802 HIS*106) 14.86100000 +0 39.63000100 +0 20.80699900 +0 0.0079 C( 803 HIS*106) 15.80100000 +0 39.22000100 +0 19.67600100 +0 0.5728 O( 804 HIS*106) 16.00200100 +0 38.03400000 +0 19.41600000 +0 -0.6048 C( 805 HIS 106) 13.55100000 +0 40.23199800 +0 20.28300100 +0 -0.2683 C( 806 HIS 106) 12.78300000 +0 39.35900100 +0 19.34000000 +0 0.0517 N( 807 HIS 106) 12.61100000 +0 38.00400200 +0 19.52400000 +0 -0.4159 C( 808 HIS 106) 12.10300000 +0 39.67300000 +0 18.21299900 +0 -0.1800 C( 809 HIS 106) 11.86400000 +0 37.52100000 +0 18.54600000 +0 0.0611 N( 810 HIS 106) 11.54700000 +0 38.51300000 +0 17.73500100 +0 -0.2931 N( 811 LYS*107) 16.40399900 +0 40.20399900 +0 19.02500000 +0 -0.5631 C( 812 LYS*107) 17.37200000 +0 39.89600000 +0 17.98100100 +0 0.0047 C( 813 LYS*107) 18.65900000 +0 39.31600200 +0 18.54400100 +0 0.5876 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 -0.2888 C( 816 LYS 107) 16.44199900 +0 41.51499900 +0 16.23399900 +0 -0.2511 C( 817 LYS 107) 15.81200000 +0 40.33000200 +0 15.51600000 +0 -0.3065 C( 818 LYS 107) 16.62200000 +0 39.89099900 +0 14.33100000 +0 -0.1086 N( 819 LYS 107) 15.79500000 +0 39.05799900 +0 13.40000000 +0 -0.6756 N( 820 ALA*108) 19.03500000 +0 39.74800100 +0 19.74399900 +0 -0.5395 C( 821 ALA*108) 20.22400100 +0 39.20800000 +0 20.40500100 +0 0.0323 C( 822 ALA*108) 20.10600100 +0 37.70000100 +0 20.60400000 +0 0.5910 O( 823 ALA*108) 21.06100100 +0 36.96900200 +0 20.34000000 +0 -0.7123 C( 824 ALA 108) 20.47900000 +0 39.90000200 +0 21.72900000 +0 -0.4819 N( 825 VAL*109) 18.94199900 +0 37.22700100 +0 21.04500000 +0 -0.5117 C( 826 VAL*109) 18.79700100 +0 35.77999900 +0 21.24399900 +0 -0.0413 C( 827 VAL*109) 18.79600000 +0 35.02100000 +0 19.92400000 +0 0.5724 O( 828 VAL*109) 19.31100100 +0 33.90599800 +0 19.86000100 +0 -0.6356 C( 829 VAL 109) 17.59000000 +0 35.36399800 +0 22.14100100 +0 -0.0631 C( 830 VAL 109) 17.75900100 +0 35.88499800 +0 23.56399900 +0 -0.4643 C( 831 VAL 109) 16.25799900 +0 35.81100100 +0 21.54700100 +0 -0.4620 N( 832 GLU*110) 18.23100100 +0 35.62599900 +0 18.87400100 +0 -0.5382 C( 833 GLU*110) 19.66900100 +0 34.93399800 +0 17.02100000 +0 0.5796 O( 834 GLU*110) 20.09700000 +0 33.89799900 +0 16.52100000 +0 -0.6909 C( 835 GLU*110) 18.24300000 +0 35.00000000 +0 17.55800100 +0 0.0077 C( 836 GLU 110) 17.32900000 +0 35.73500100 +0 16.57900000 +0 -0.2686 C( 837 GLU 110) 17.23300000 +0 35.04100000 +0 15.22700000 +0 -0.4027 C( 838 GLU 110) 16.45200000 +0 35.82700000 +0 14.19800000 +0 0.6971 O( 839 GLU 110) 15.61700000 +0 36.66999800 +0 14.58700000 +0 -0.5943 O( 840 GLU 110) 16.67100000 +0 35.59000000 +0 12.98900000 +0 -0.5387 N( 841 THR*111) 20.40200000 +0 36.03500000 +0 17.15099900 +0 -0.5256 C( 842 THR*111) 21.79000100 +0 36.07300200 +0 16.71500000 +0 -0.0755 C( 843 THR*111) 22.62999900 +0 35.05099900 +0 17.47300000 +0 0.5652 O( 844 THR*111) 23.39600000 +0 34.29299900 +0 16.86599900 +0 -0.6200 C( 845 THR 111) 22.38500000 +0 37.47399900 +0 16.90000000 +0 0.1636 O( 846 THR 111) 21.65200000 +0 38.40000200 +0 16.09499900 +0 -0.5478 C( 847 THR 111) 23.84000000 +0 37.48799900 +0 16.46999900 +0 -0.5058 N( 848 ALA*112) 22.48200000 +0 35.04700100 +0 18.79600000 +0 -0.5591 C( 849 ALA*112) 23.18800000 +0 34.10599900 +0 19.66000000 +0 0.0240 C( 850 ALA*112) 22.86800000 +0 32.67499900 +0 19.26400000 +0 0.5654 O( 851 ALA*112) 23.77800000 +0 31.86100000 +0 19.10300100 +0 -0.6354 C( 852 ALA 112) 22.82200100 +0 34.34899900 +0 21.11200000 +0 -0.4721 N( 853 ALA*113) 21.57900000 +0 32.38000100 +0 19.10100000 +0 -0.5507 C( 854 ALA*113) 21.14500000 +0 31.03100000 +0 18.73200000 +0 0.0270 C( 855 ALA*113) 21.73300000 +0 30.60400000 +0 17.38900000 +0 0.5658 O( 856 ALA*113) 22.16700000 +0 29.46100000 +0 17.23600000 +0 -0.6314 C( 857 ALA 113) 19.63699900 +0 30.93600100 +0 18.70900000 +0 -0.4821 N( 858 GLY*114) 21.74900100 +0 31.52599900 +0 16.42799900 +0 -0.5444 C( 859 GLY*114) 22.28599900 +0 31.24900100 +0 15.09400000 +0 -0.1595 C( 860 GLY*114) 23.76800000 +0 30.94500000 +0 15.12100000 +0 0.5523 O( 861 GLY*114) 24.23399900 +0 30.00799900 +0 14.46000000 +0 -0.5696 N( 862 PHE*115) 24.51000000 +0 31.72200000 +0 15.90200000 +0 -0.5510 C( 863 PHE*115) 25.94199900 +0 31.51700000 +0 16.04200000 +0 0.0123 C( 864 PHE*115) 26.26899900 +0 30.21800000 +0 16.77899900 +0 0.5437 O( 865 PHE*115) 27.15200000 +0 29.46299900 +0 16.36100000 +0 -0.5488 C( 866 PHE 115) 26.58499900 +0 32.70399900 +0 16.75099900 +0 -0.3230 C( 867 PHE 115) 28.05200000 +0 32.54200000 +0 16.97100100 +0 0.0262 C( 868 PHE 115) 28.95000100 +0 32.68500100 +0 15.91700000 +0 -0.1607 C( 869 PHE 115) 28.54100000 +0 32.24200100 +0 18.23000000 +0 -0.1719 C( 870 PHE 115) 30.31200000 +0 32.53200100 +0 16.12200000 +0 -0.1325 C( 871 PHE 115) 29.89699900 +0 32.08900100 +0 18.43800000 +0 -0.1472 C( 872 PHE 115) 30.78599900 +0 32.23799900 +0 17.38600000 +0 -0.1630 N( 873 LEU*116) 25.54900000 +0 29.95999900 +0 17.86700100 +0 -0.5735 C( 874 LEU*116) 25.78100000 +0 28.75900100 +0 18.67200100 +0 0.0069 C( 875 LEU*116) 25.39699900 +0 27.48200000 +0 17.93300100 +0 0.5537 O( 876 LEU*116) 25.99399900 +0 26.42900100 +0 18.17400000 +0 -0.6045 C( 877 LEU 116) 25.05600000 +0 28.85100000 +0 20.01600100 +0 -0.3130 C( 878 LEU 116) 25.55600000 +0 29.92400000 +0 20.99300000 +0 -0.0388 C( 879 LEU 116) 24.61400000 +0 30.04600000 +0 22.17300000 +0 -0.4607 C( 880 LEU 116) 26.99000000 +0 29.65500100 +0 21.46500000 +0 -0.4572 N( 881 ALA*117) 24.41300000 +0 27.57799900 +0 17.03800000 +0 -0.5448 C( 882 ALA*117) 23.99900100 +0 26.44700100 +0 16.20299900 +0 0.0033 C( 883 ALA*117) 25.08799900 +0 26.08499900 +0 15.19800000 +0 0.3620 O( 884 ALA*117) 25.41799900 +0 24.91000000 +0 15.03100000 +0 -0.5037 C( 885 ALA 117) 22.70700100 +0 26.76199900 +0 15.48100000 +0 -0.4722 O( 886 HOH 118) 27.95999900 +0 25.35199900 +0 29.09400000 +0 -0.7499 O( 887 HOH 119) 29.56800100 +0 25.39300000 +0 25.26600100 +0 -0.7158 O( 888 HOH 120) 33.07799900 +0 36.57600000 +0 27.23100100 +0 -0.7123 O( 889 HOH 121) 33.75799900 +0 35.07500100 +0 29.55900000 +0 -0.7385 O( 890 HOH 122) 30.03599900 +0 42.10599900 +0 25.67600100 +0 -0.7195 O( 891 HOH 123) 32.16000000 +0 41.36999900 +0 27.16500100 +0 -0.7226 O( 892 HOH 124) 19.83300000 +0 46.13299900 +0 27.02400000 +0 -0.7428 O( 893 HOH 125) 21.84499900 +0 40.64500000 +0 28.78300100 +0 -0.7529 O( 894 HOH 126) 24.74300000 +0 20.01800000 +0 26.58000000 +0 -0.6799 O( 895 HOH 127) 23.45900000 +0 18.83600000 +0 29.98300000 +0 -0.7301 O( 896 HOH 128) 21.09400000 +0 18.75000000 +0 23.88699900 +0 -0.7503 O( 897 HOH 129) 14.01200000 +0 19.47100100 +0 24.75700000 +0 -0.7278 O( 898 HOH 130) 21.35300100 +0 17.21500000 +0 27.05500000 +0 -0.6420 O( 899 HOH 131) 16.23900000 +0 14.61200000 +0 29.76899900 +0 -0.6960 O( 900 HOH 132) 14.77800000 +0 18.61200000 +0 31.61899900 +0 -0.6975 O( 901 HOH 133) 28.41500100 +0 27.25200100 +0 32.23400100 +0 -0.7382 O( 902 HOH 134) 22.02300100 +0 17.25799900 +0 31.93899900 +0 -0.7181 O( 903 HOH 135) 14.72000000 +0 18.36000100 +0 21.92900100 +0 -0.6948 O( 904 HOH 136) 27.32099900 +0 29.35800000 +0 34.15100100 +0 -0.6984 O( 905 HOH 137) 27.29100000 +0 36.75999800 +0 35.81000100 +0 -0.6952 O( 906 HOH 138) 26.03700100 +0 33.89799900 +0 36.86500200 +0 -0.7333 O( 907 HOH 139) 17.66200100 +0 35.71099900 +0 38.74800100 +0 -0.7575 O( 908 HOH 140) 26.50099900 +0 32.84700000 +0 40.55300100 +0 -0.7086 O( 909 HOH 141) 25.20000100 +0 30.73300000 +0 42.64400100 +0 -0.7122 O( 910 HOH 142) 18.66200100 +0 26.09900100 +0 43.74900100 +0 -0.6750 O( 911 HOH 143) 14.66900000 +0 28.60400000 +0 40.04999900 +0 -0.6999 O( 912 HOH 144) 15.17400000 +0 35.14400100 +0 38.37200200 +0 -0.7072 O( 913 HOH 145) 24.52400000 +0 22.43000000 +0 32.84400200 +0 -0.6869 O( 914 HOH 146) 22.54500000 +0 18.40700000 +0 34.30899800 +0 -0.7525 O( 915 HOH 147) 17.92799900 +0 19.87700100 +0 38.13600200 +0 -0.7302 O( 916 HOH 148) 20.61300100 +0 18.26499900 +0 35.99200100 +0 -0.7015 O( 917 HOH 149) 14.25700000 +0 25.52500000 +0 41.43299900 +0 -0.7345 O( 918 HOH 150) 16.27899900 +0 18.11500000 +0 37.09899900 +0 -0.7265 O( 919 HOH 151) 14.82100000 +0 21.69000100 +0 37.91199900 +0 -0.7333 O( 920 HOH 152) 12.39500000 +0 19.68300100 +0 31.18199900 +0 -0.7456 O( 921 HOH 153) 3.59600000 +0 30.84800000 +0 33.39899800 +0 -0.7185 O( 922 HOH 154) 10.66900000 +0 38.49200100 +0 42.11399800 +0 -0.7013 O( 923 HOH 155) 13.79200000 +0 18.37999900 +0 28.29800000 +0 -0.6793 O( 924 HOH 156) 6.45900000 +0 29.65200000 +0 19.61100000 +0 -0.7487 O( 925 HOH 157) 9.92900000 +0 40.90599800 +0 40.83200100 +0 -0.7080 O( 926 HOH 158) 9.29100000 +0 45.21099900 +0 21.48200000 +0 -0.7516 O( 927 HOH 159) 14.00000000 +0 25.12000100 +0 11.53800000 +0 -0.6596 O( 928 HOH 160) 9.03000000 +0 28.85600100 +0 19.16000000 +0 -0.8013 O( 929 HOH 161) 23.60700000 +0 40.32000000 +0 19.33300000 +0 -0.7260 O( 930 HOH 162) 13.65700000 +0 32.83400000 +0 14.55500000 +0 -0.7105 O( 931 HOH 163) 11.17100000 +0 33.81100100 +0 14.79900000 +0 -0.7169 O( 932 HOH 164) 4.40200000 +0 38.15000200 +0 22.28500000 +0 -0.6962 O( 933 HOH 165) 26.98700000 +0 22.00900100 +0 18.94000100 +0 -0.6725 O( 934 HOH 166) 4.46900000 +0 40.80799900 +0 24.45100000 +0 -0.7381 O( 935 HOH 167) 5.01900000 +0 41.70800000 +0 33.01300000 +0 -0.7479 O( 936 HOH 168) 6.23300000 +0 40.91600000 +0 37.49900100 +0 -0.7137 O( 937 HOH 169) 4.86500000 +0 34.22800100 +0 39.61000100 +0 -0.6897 O( 938 HOH 170) 6.22600000 +0 25.94899900 +0 31.71800000 +0 -0.7201 O( 939 HOH 171) 5.69200000 +0 30.07000000 +0 31.42300000 +0 -0.7014 O( 940 HOH 172) 5.44400000 +0 22.33400000 +0 34.11399800 +0 -0.6978 O( 941 HOH 173) 12.03700000 +0 21.84000000 +0 38.23000000 +0 -0.7269 O( 942 HOH 174) 4.08000000 +0 25.23100100 +0 39.69400000 +0 -0.7146 O( 943 HOH 175) 4.80500000 +0 31.26000000 +0 35.68899900 +0 -0.7446 O( 944 HOH 176) 10.29600000 +0 31.65200000 +0 42.31800100 +0 -0.7030 O( 945 HOH 177) 11.33400000 +0 29.43899900 +0 36.56100100 +0 -0.7846 O( 946 HOH 178) 9.13800000 +0 35.28799800 +0 41.90300000 +0 -0.7121 O( 947 HOH 179) 5.49500000 +0 45.76800200 +0 32.33700200 +0 -0.7019 O( 948 HOH 180) 6.81200000 +0 32.31499900 +0 25.07500100 +0 -0.7037 O( 949 HOH 181) 16.42100000 +0 31.58099900 +0 17.39399900 +0 -0.7435 O( 950 HOH 182) 19.29999900 +0 28.61700100 +0 15.60200000 +0 -0.6723 O( 951 HOH 183) 21.17000000 +0 26.83799900 +0 11.98600000 +0 -0.7089 O( 952 HOH 184) 22.37500000 +0 24.33300000 +0 11.25000000 +0 -0.7257 O( 953 HOH 185) 18.54200000 +0 24.65399900 +0 11.19600000 +0 -0.7108 O( 954 HOH 186) 22.95200000 +0 20.43600100 +0 22.86800000 +0 -0.7281 O( 955 HOH 187) 17.76000000 +0 40.72499800 +0 34.05600000 +0 -0.7482 O( 956 HOH 188) 17.39500000 +0 43.48000000 +0 33.68199900 +0 -0.7389 O( 957 HOH 189) 16.23000000 +0 40.51699800 +0 36.51800200 +0 -0.7086 O( 958 HOH 190) 8.94200000 +0 40.73500100 +0 38.11899900 +0 -0.7389 O( 959 HOH 191) 8.73800000 +0 46.68600100 +0 35.99399900 +0 -0.6873 O( 960 HOH 192) 9.28700000 +0 47.86500200 +0 33.06900000 +0 -0.6914 O( 961 HOH 193) 19.13600000 +0 46.05099900 +0 37.20399900 +0 -0.6882 O( 962 HOH 194) 18.29600000 +0 47.89099900 +0 28.87299900 +0 -0.6848 O( 963 HOH 195) 12.91600000 +0 47.87599900 +0 25.87200000 +0 -0.7001 O( 964 HOH 196) 7.16700000 +0 48.68500100 +0 29.35400000 +0 -0.6865 O( 965 HOH 197) 14.59400000 +0 45.91999800 +0 26.07099900 +0 -0.7207 O( 966 HOH 198) 8.92800000 +0 44.87400100 +0 24.06500100 +0 -0.7269 O( 967 HOH 199) 14.22500000 +0 43.72700100 +0 13.67700000 +0 -0.7200 O( 968 HOH 200) 11.83800000 +0 47.55400100 +0 20.91099900 +0 -0.7172 O( 969 HOH 201) 14.72800000 +0 47.31200000 +0 21.87299900 +0 -0.7620 O( 970 HOH 202) 20.85500000 +0 43.07300200 +0 19.33400000 +0 -0.7217 O( 971 HOH 203) 15.52400000 +0 47.12799800 +0 24.37800000 +0 -0.6966 O( 972 HOH 204) 17.31600000 +0 48.00400200 +0 25.91700000 +0 -0.7405 O( 973 HOH 205) 17.74900100 +0 46.29499800 +0 27.40600000 +0 -0.7026 O( 974 HOH 206) 13.49600000 +0 39.60300100 +0 11.99000000 +0 -0.7290 O( 975 HOH 207) 15.97500000 +0 42.29900000 +0 12.18100000 +0 -0.7014 O( 976 HOH 208) 23.60400000 +0 37.86299900 +0 20.49300000 +0 -0.7616 O( 977 HOH 209) 18.46100000 +0 32.02899900 +0 15.38600000 +0 -0.7370 O( 978 HOH 210) 19.08300000 +0 33.88299900 +0 12.48000000 +0 -0.6981 O( 979 HOH 211) 12.33500000 +0 37.70100000 +0 14.28700000 +0 -0.6865 O( 980 HOH 212) 21.60899900 +0 40.79499800 +0 17.54700100 +0 -0.7502 O( 981 HOH 213) 24.75499900 +0 25.35600100 +0 22.58000000 +0 -0.6777 O( 982 HOH 214) 26.67400000 +0 22.01499900 +0 13.68400000 +0 -0.6834 O( 983 HOH 215) 27.94899900 +0 23.77300100 +0 15.87000000 +0 -0.7012 H( 984 ASP* 1) 34.83962806 +1 27.84355663 +1 27.81858847 +1 0.2679 H( 985 ASP* 1) 34.86955550 +1 26.42827262 +1 28.66647234 +1 0.2609 H( 986 ASP* 1) 32.67462041 +1 25.87225569 +1 27.55615937 +1 0.1738 H( 987 ASP 1) 33.11171726 +1 26.54048799 +1 30.04862647 +1 0.1712 H( 988 ASP 1) 32.56456386 +1 28.17521800 +1 29.61897611 +1 0.1965 H( 989 ASP 1) 31.15729167 +1 26.65259922 +1 31.47633789 +1 0.3876 H( 990 PHE* 2) 31.80479123 +1 26.50749698 +1 25.65058683 +1 0.3410 H( 991 PHE* 2) 32.35288865 +1 29.16615294 +1 24.53815531 +1 0.2006 H( 992 PHE 2) 32.24979463 +1 26.73336668 +1 23.43144531 +1 0.1705 H( 993 PHE 2) 30.49977834 +1 26.90720636 +1 23.46691877 +1 0.1757 H( 994 PHE 2) 33.66367625 +1 28.50913782 +1 22.27077196 +1 0.1455 H( 995 PHE 2) 29.41366746 +1 28.21253553 +1 21.78245720 +1 0.1554 H( 996 PHE 2) 33.82285930 +1 29.77141812 +1 20.16251098 +1 0.1492 H( 997 PHE 2) 29.57005003 +1 29.46751720 +1 19.65479482 +1 0.1669 H( 998 PHE 2) 31.78298116 +1 30.23637575 +1 18.83705939 +1 0.1591 H( 999 ALA* 3) 29.35263049 +1 27.38615522 +1 25.63474217 +1 0.3518 H( 1000 ALA* 3) 27.56781110 +1 29.55515452 +1 24.92998759 +1 0.1932 H( 1001 ALA 3) 27.32568457 +1 27.26584177 +1 27.05362096 +1 0.1762 H( 1002 ALA 3) 26.77297772 +1 27.20786895 +1 25.37027366 +1 0.1786 H( 1003 ALA 3) 26.00892356 +1 28.31568504 +1 26.50924237 +1 0.1830 H( 1004 LYS* 4) 29.54285323 +1 28.79298743 +1 27.88959471 +1 0.3391 H( 1005 LYS* 4) 28.27335219 +1 30.80230155 +1 29.54733151 +1 0.1980 H( 1006 LYS 4) 31.16393062 +1 29.65650523 +1 29.59775314 +1 0.1464 H( 1007 LYS 4) 29.74049972 +1 28.88472368 +1 30.35411477 +1 0.1712 H( 1008 LYS 4) 30.75856476 +1 31.70135400 +1 31.08873138 +1 0.1565 H( 1009 LYS 4) 29.43321239 +1 30.85173974 +1 31.86071693 +1 0.1533 H( 1010 LYS 4) 32.34775654 +1 29.81311909 +1 31.77707550 +1 0.1279 H( 1011 LYS 4) 30.99587071 +1 28.99583346 +1 32.57320954 +1 0.1400 H( 1012 LYS 4) 32.20612637 +1 30.25616399 +1 34.29627134 +1 0.1363 H( 1013 LYS 4) 30.65605414 +1 31.09275834 +1 34.03943993 +1 0.1399 H( 1014 LYS 4) 33.22780829 +1 31.92561166 +1 32.81399967 +1 0.2407 H( 1015 LYS 4) 31.81190368 +1 32.72417530 +1 32.69810708 +1 0.2646 H( 1016 GLU* 5) 31.17152285 +1 30.89780566 +1 27.30057556 +1 0.3588 H( 1017 GLU* 5) 31.92728287 +1 33.57588446 +1 27.95416175 +1 0.1828 H( 1018 GLU 5) 32.80625471 +1 33.47551748 +1 25.46434361 +1 0.1829 H( 1019 GLU 5) 32.13743797 +1 31.85864969 +1 25.36002832 +1 0.1930 H( 1020 GLU 5) 34.44962772 +1 32.86394360 +1 27.12577547 +1 0.1789 H( 1021 GLU 5) 33.56073055 +1 31.41063635 +1 27.61655197 +1 0.1819 H( 1022 GLU 5) 35.97015223 +1 29.81579895 +1 25.60683140 +1 0.3845 H( 1023 TYR* 6) 29.52935554 +1 32.29187045 +1 25.50507570 +1 0.3595 H( 1024 TYR* 6) 29.03658386 +1 34.94787188 +1 24.41692929 +1 0.1946 H( 1025 TYR 6) 28.48138344 +1 32.45826785 +1 23.49199638 +1 0.1816 H( 1026 TYR 6) 26.96432739 +1 32.65216379 +1 24.36369944 +1 0.1710 H( 1027 TYR 6) 28.45151311 +1 33.13440302 +1 21.23635133 +1 0.1578 H( 1028 TYR 6) 25.88577640 +1 35.21028068 +1 23.99613932 +1 0.1705 H( 1029 TYR 6) 27.56260852 +1 34.49566624 +1 19.39317252 +1 0.1694 H( 1030 TYR 6) 25.02033568 +1 36.59578432 +1 22.14645238 +1 0.1893 H( 1031 TYR 6) 26.10344012 +1 36.12534239 +1 18.76049581 +1 0.3488 H( 1032 ALA* 7) 27.38835816 +1 32.92557656 +1 27.00523772 +1 0.3655 H( 1033 ALA* 7) 25.23715749 +1 34.78844303 +1 27.42120803 +1 0.1819 H( 1034 ALA 7) 26.66422132 +1 32.89418445 +1 29.44816657 +1 0.1733 H( 1035 ALA 7) 25.32090431 +1 32.43146920 +1 28.37292802 +1 0.1687 H( 1036 ALA 7) 25.09079804 +1 33.64223179 +1 29.65990916 +1 0.1868 H( 1037 ASP* 8) 28.64913406 +1 34.63213764 +1 28.75720724 +1 0.3583 H( 1038 ASP* 8) 28.21166374 +1 36.82857165 +1 30.58959494 +1 0.2103 H( 1039 ASP 8) 30.81408388 +1 37.02233238 +1 30.32316691 +1 0.1925 H( 1040 ASP 8) 30.73515009 +1 35.66229153 +1 29.18023010 +1 0.1907 H( 1041 ASP 8) 32.05045482 +1 34.59708427 +1 30.82856048 +1 0.4102 H( 1042 ALA* 9) 29.24135823 +1 36.67925700 +1 27.09494607 +1 0.3610 H( 1043 ALA* 9) 29.91415228 +1 39.50639351 +1 26.95665237 +1 0.1873 H( 1044 ALA 9) 30.65176837 +1 37.79595227 +1 25.24012148 +1 0.1639 H( 1045 ALA 9) 28.97607323 +1 37.51195811 +1 24.75093442 +1 0.1797 H( 1046 ALA 9) 29.72698043 +1 39.09475935 +1 24.47559271 +1 0.1704 H( 1047 LEU* 10) 26.84420969 +1 37.59841288 +1 26.45531360 +1 0.3664 H( 1048 LEU* 10) 25.36738395 +1 39.91228586 +1 25.49937029 +1 0.1944 H( 1049 LEU 10) 24.66901898 +1 37.17171250 +1 26.73812791 +1 0.1665 H( 1050 LEU 10) 23.40735521 +1 38.38701316 +1 26.52704793 +1 0.1704 H( 1051 LEU 10) 25.19953320 +1 37.48330068 +1 24.19937099 +1 0.1404 H( 1052 LEU 10) 24.00473353 +1 35.50909832 +1 25.16342998 +1 0.1400 H( 1053 LEU 10) 22.46625202 +1 36.38039377 +1 25.14155994 +1 0.1520 H( 1054 LEU 10) 23.26010516 +1 35.96012631 +1 23.62565063 +1 0.1472 H( 1055 LEU 10) 23.93496853 +1 39.65691728 +1 23.89824580 +1 0.1442 H( 1056 LEU 10) 23.36392912 +1 38.39471476 +1 22.80480140 +1 0.1669 H( 1057 LEU 10) 22.41193421 +1 38.82544030 +1 24.24206495 +1 0.1443 H( 1058 TYR* 11) 25.96258987 +1 38.52255711 +1 28.83695926 +1 0.3615 H( 1059 TYR* 11) 24.11151151 +1 40.38017581 +1 30.09185428 +1 0.1906 H( 1060 TYR 11) 26.59646760 +1 38.83467151 +1 31.12637952 +1 0.1624 H( 1061 TYR 11) 24.89208261 +1 38.37193889 +1 31.28061211 +1 0.1711 H( 1062 TYR 11) 23.33489315 +1 40.33605216 +1 32.37770169 +1 0.1823 H( 1063 TYR 11) 27.57911577 +1 39.94494768 +1 32.98602882 +1 0.1563 H( 1064 TYR 11) 23.15636430 +1 41.63295068 +1 34.48405386 +1 0.1901 H( 1065 TYR 11) 27.39003695 +1 41.20714053 +1 35.09028455 +1 0.1537 H( 1066 TYR 11) 26.00759567 +1 42.35093111 +1 36.50636364 +1 0.3212 H( 1067 ASP* 12) 27.73619823 +1 40.49136850 +1 29.47358864 +1 0.3532 H( 1068 ASP* 12) 28.15889519 +1 42.95572442 +1 30.81093278 +1 0.2112 H( 1069 ASP 12) 30.10870180 +1 43.16087673 +1 29.08424797 +1 0.2022 H( 1070 ASP 12) 29.52166676 +1 41.68038908 +1 28.30213622 +1 0.1918 H( 1071 ASP 12) 31.94674434 +1 40.39391688 +1 30.59973387 +1 0.3847 H( 1072 SER* 13) 26.89925878 +1 42.31007868 +1 27.46660585 +1 0.3381 H( 1073 SER* 13) 27.23063965 +1 45.17102427 +1 26.75940830 +1 0.1992 H( 1074 SER 13) 27.67027341 +1 43.40488552 +1 25.02208614 +1 0.1387 H( 1075 SER 13) 26.01455642 +1 42.71321788 +1 25.21682441 +1 0.1516 H( 1076 SER 13) 26.20597041 +1 45.44162418 +1 24.58676532 +1 0.3293 H( 1077 LEU* 14) 24.44215263 +1 42.83584941 +1 27.27426123 +1 0.3485 H( 1078 LEU* 14) 22.66663653 +1 45.18598067 +1 26.96259969 +1 0.1817 H( 1079 LEU 14) 21.92426706 +1 42.21257990 +1 27.43340612 +1 0.1877 H( 1080 LEU 14) 20.87857289 +1 43.50809732 +1 26.86126926 +1 0.1412 H( 1081 LEU 14) 23.31328446 +1 42.33107500 +1 25.36927834 +1 0.1399 H( 1082 LEU 14) 21.60184863 +1 41.33256971 +1 23.89473738 +1 0.1406 H( 1083 LEU 14) 21.31202829 +1 40.82588487 +1 25.56439591 +1 0.1516 H( 1084 LEU 14) 20.29081731 +1 42.06655281 +1 24.81694819 +1 0.1287 H( 1085 LEU 14) 23.06200014 +1 44.67400179 +1 24.69859528 +1 0.1584 H( 1086 LEU 14) 22.40577718 +1 43.68062063 +1 23.40807845 +1 0.1492 H( 1087 LEU 14) 21.30656314 +1 44.51590252 +1 24.51004236 +1 0.1335 H( 1088 GLY* 15) 23.94055121 +1 43.28885080 +1 29.67531752 +1 0.3647 H( 1089 GLY* 15) 23.73241014 +1 43.77008973 +1 31.88807482 +1 0.1955 H( 1090 GLY* 15) 22.65285807 +1 45.15246945 +1 31.48678392 +1 0.1929 H( 1091 HIS* 16) 21.54639016 +1 42.04548102 +1 30.21667341 +1 0.3447 H( 1092 HIS* 16) 19.65571276 +1 41.93231431 +1 32.55983739 +1 0.2153 H( 1093 HIS 16) 19.24386704 +1 40.84085636 +1 29.67538005 +1 0.1767 H( 1094 HIS 16) 18.03934477 +1 40.90956065 +1 30.98065424 +1 0.1793 H( 1095 HIS 16) 18.89875594 +1 42.97688796 +1 27.92828966 +1 0.1668 H( 1096 HIS 16) 17.34105427 +1 45.77021313 +1 30.67417560 +1 0.1979 H( 1097 HIS 16) 18.34985743 +1 45.39783137 +1 28.35505836 +1 0.3686 H( 1098 SER* 17) 18.84413031 +1 39.64222586 +1 32.93622407 +1 0.3468 H( 1099 SER* 17) 21.11478518 +1 37.85776414 +1 33.35821597 +1 0.1997 H( 1100 SER 17) 19.24556478 +1 36.29367701 +1 34.14163793 +1 0.1619 H( 1101 SER 17) 18.01457488 +1 37.49896962 +1 33.60603504 +1 0.1585 H( 1102 SER 17) 19.33751785 +1 38.97020258 +1 35.08477109 +1 0.3575 H( 1103 VAL* 18) 21.63849101 +1 36.02683641 +1 32.17576196 +1 0.3597 H( 1104 VAL* 18) 20.09542775 +1 35.57021096 +1 29.62981456 +1 0.2086 H( 1105 VAL 18) 23.17465540 +1 35.50862453 +1 30.07165850 +1 0.1473 H( 1106 VAL 18) 23.10108759 +1 35.30191231 +1 27.49342039 +1 0.1452 H( 1107 VAL 18) 22.51212423 +1 33.87521952 +1 28.35979114 +1 0.1475 H( 1108 VAL 18) 21.36537758 +1 34.99333897 +1 27.61652399 +1 0.1619 H( 1109 VAL 18) 23.23627435 +1 37.51382408 +1 28.62157506 +1 0.1474 H( 1110 VAL 18) 21.46470525 +1 37.54903848 +1 28.49415573 +1 0.1508 H( 1111 VAL 18) 22.24748602 +1 37.86126274 +1 30.04079796 +1 0.1752 H( 1112 LEU* 19) 19.62606501 +1 33.39970873 +1 29.34968073 +1 0.3720 H( 1113 LEU* 19) 21.24518632 +1 31.41730016 +1 30.95049606 +1 0.1981 H( 1114 LEU 19) 19.25549082 +1 29.98892518 +1 31.06962396 +1 0.1648 H( 1115 LEU 19) 18.27432190 +1 31.12200663 +1 30.13459715 +1 0.1610 H( 1116 LEU 19) 18.44124030 +1 32.81752771 +1 31.97841886 +1 0.1374 H( 1117 LEU 19) 17.34384004 +1 30.01100460 +1 32.67894564 +1 0.1620 H( 1118 LEU 19) 16.48523569 +1 31.30876747 +1 31.84798569 +1 0.1459 H( 1119 LEU 19) 16.92720426 +1 31.48296718 +1 33.55067491 +1 0.1463 H( 1120 LEU 19) 20.53982621 +1 32.15008175 +1 33.05218858 +1 0.1577 H( 1121 LEU 19) 19.90908921 +1 30.54383946 +1 33.45880695 +1 0.1401 H( 1122 LEU 19) 19.23859891 +1 31.97417296 +1 34.24484717 +1 0.1432 H( 1123 ILE* 20) 21.90739629 +1 29.62542104 +1 29.71203346 +1 0.3588 H( 1124 ILE* 20) 20.67146434 +1 29.41351672 +1 26.96388059 +1 0.2205 H( 1125 ILE 20) 23.64834781 +1 28.94667658 +1 27.71866503 +1 0.1281 H( 1126 ILE 20) 22.92182341 +1 31.34896440 +1 27.42001622 +1 0.1393 H( 1127 ILE 20) 22.21427479 +1 30.95388994 +1 25.85687173 +1 0.1497 H( 1128 ILE 20) 23.81122582 +1 28.39747561 +1 25.22223809 +1 0.1396 H( 1129 ILE 20) 22.85696201 +1 27.21345424 +1 26.11796518 +1 0.1600 H( 1130 ILE 20) 22.04340046 +1 28.41875070 +1 25.12509181 +1 0.1773 H( 1131 ILE 20) 25.22251462 +1 30.74142151 +1 26.53142110 +1 0.1517 H( 1132 ILE 20) 24.50476102 +1 30.39838829 +1 24.95250604 +1 0.1420 H( 1133 ILE 20) 24.45147258 +1 32.03452464 +1 25.61038037 +1 0.1374 H( 1134 CYS* 21) 19.79913874 +1 27.37905981 +1 26.66111872 +1 0.3918 H( 1135 CYS* 21) 20.68159656 +1 25.27776578 +1 28.66262810 +1 0.1649 H( 1136 CYS 21) 18.40727279 +1 24.33420643 +1 28.39082149 +1 0.1613 H( 1137 CYS 21) 18.35666013 +1 25.98040630 +1 29.06935607 +1 0.1414 H( 1138 ASP* 22) 20.34258017 +1 23.06824409 +1 27.83677385 +1 0.3537 H( 1139 ASP* 22) 20.75000540 +1 22.88701674 +1 24.84447896 +1 0.2147 H( 1140 ASP 22) 22.60725724 +1 21.79693275 +1 26.04501126 +1 0.1887 H( 1141 ASP 22) 21.60460233 +1 20.58937859 +1 25.24713675 +1 0.1874 H( 1142 ASP 22) 23.33496035 +1 19.92891142 +1 27.33973412 +1 0.4324 H( 1143 ARG* 23) 19.66744864 +1 20.01395112 +1 25.08626536 +1 0.3184 H( 1144 ARG* 23) 16.89117396 +1 20.81310962 +1 24.81461648 +1 0.2055 H( 1145 ARG 23) 18.28949590 +1 18.03083816 +1 25.00702042 +1 0.1493 H( 1146 ARG 23) 16.58841424 +1 18.25831132 +1 24.62155575 +1 0.1833 H( 1147 ARG 23) 18.82279052 +1 19.49641378 +1 22.87007373 +1 0.1345 H( 1148 ARG 23) 17.10724178 +1 19.40876400 +1 22.49947984 +1 0.1793 H( 1149 ARG 23) 18.78396944 +1 16.85836255 +1 23.08702925 +1 0.1319 H( 1150 ARG 23) 17.10529102 +1 16.93430195 +1 22.50290963 +1 0.1792 H( 1151 ARG 23) 17.83168098 +1 17.87934933 +1 20.42104675 +1 0.3447 H( 1152 ARG 23) 21.70749029 +1 17.18279011 +1 21.20712623 +1 0.3004 H( 1153 ARG 23) 20.66931515 +1 17.41726931 +1 22.50360391 +1 0.3122 H( 1154 ARG 23) 20.97117868 +1 17.27618271 +1 19.01104711 +1 0.2842 H( 1155 ASP* 24) 18.67776509 +1 20.27879530 +1 27.68253201 +1 0.3542 H( 1156 ASP* 24) 16.26707016 +1 19.00593471 +1 29.01480149 +1 0.2333 H( 1157 ASP 24) 19.28615591 +1 18.40334653 +1 29.53372310 +1 0.1728 H( 1158 ASP 24) 17.90615129 +1 17.71160648 +1 30.39559681 +1 0.2040 H( 1159 ASP 24) 19.96500124 +1 17.14591604 +1 27.73569219 +1 0.4218 H( 1160 VAL* 25) 19.36150248 +1 20.93776094 +1 29.62210965 +1 0.3575 H( 1161 VAL* 25) 17.93268228 +1 22.11200283 +1 31.99244434 +1 0.2093 H( 1162 VAL 25) 19.96360597 +1 21.81035711 +1 33.34762229 +1 0.1376 H( 1163 VAL 25) 19.70492858 +1 19.42632301 +1 33.84482117 +1 0.1324 H( 1164 VAL 25) 19.07951557 +1 19.07106995 +1 32.23368904 +1 0.1501 H( 1165 VAL 25) 18.12545001 +1 20.05264589 +1 33.35911956 +1 0.1605 H( 1166 VAL 25) 21.81758072 +1 20.23040736 +1 32.57584634 +1 0.1511 H( 1167 VAL 25) 21.09874389 +1 20.15316080 +1 30.98089432 +1 0.1583 H( 1168 VAL 25) 21.73108738 +1 21.68688605 +1 31.57292997 +1 0.1554 H( 1169 TYR* 26) 19.16559590 +1 24.05261089 +1 32.84731679 +1 0.3538 H( 1170 TYR* 26) 20.27612745 +1 25.60942439 +1 30.61829338 +1 0.2009 H( 1171 TYR 26) 20.76976991 +1 27.29663347 +1 32.49318952 +1 0.1569 H( 1172 TYR 26) 20.10883737 +1 26.16149494 +1 33.67403587 +1 0.1831 H( 1173 TYR 26) 19.28216336 +1 27.77080372 +1 30.35593888 +1 0.1606 H( 1174 TYR 26) 17.73009148 +1 26.05861533 +1 33.98265227 +1 0.1628 H( 1175 TYR 26) 17.00491275 +1 28.41849260 +1 29.67228661 +1 0.1755 H( 1176 TYR 26) 15.43130499 +1 26.74742738 +1 33.31102488 +1 0.1825 H( 1177 TYR 26) 14.75036736 +1 28.16849383 +1 30.13948441 +1 0.3300 H( 1178 ILE* 27) 22.33450112 +1 25.80814995 +1 30.01461331 +1 0.3741 H( 1179 ILE* 27) 24.42414283 +1 24.32266692 +1 31.64558751 +1 0.2139 H( 1180 ILE 27) 25.60732148 +1 24.04985086 +1 29.50403855 +1 0.1609 H( 1181 ILE 27) 24.61324432 +1 26.17780370 +1 28.41791589 +1 0.1268 H( 1182 ILE 27) 23.13728304 +1 25.26071151 +1 28.08940032 +1 0.1564 H( 1183 ILE 27) 24.02438966 +1 22.38581641 +1 28.49211968 +1 0.1456 H( 1184 ILE 27) 23.98224642 +1 22.29931657 +1 30.25170777 +1 0.1654 H( 1185 ILE 27) 22.65907029 +1 23.09056977 +1 29.37503992 +1 0.1708 H( 1186 ILE 27) 25.93897246 +1 24.55708736 +1 27.01450798 +1 0.1396 H( 1187 ILE 27) 24.46516102 +1 23.64271425 +1 26.67499384 +1 0.1475 H( 1188 ILE 27) 24.61729689 +1 25.30367433 +1 26.09646160 +1 0.1438 H( 1189 ALA* 28) 23.45392870 +1 27.52878717 +1 30.56733308 +1 0.3751 H( 1190 ALA* 28) 25.99493418 +1 28.48921474 +1 31.82190494 +1 0.1650 H( 1191 ALA 28) 26.43424761 +1 28.50883153 +1 29.37728642 +1 0.1650 H( 1192 ALA 28) 24.92925552 +1 29.38080595 +1 29.04670847 +1 0.1741 H( 1193 ALA 28) 26.22239504 +1 30.17896042 +1 29.94461845 +1 0.1617 H( 1194 VAL* 29) 25.61304509 +1 30.27177309 +1 33.08040487 +1 0.3355 H( 1195 VAL* 29) 22.98013179 +1 31.69955451 +1 32.80523380 +1 0.2107 H( 1196 VAL 29) 24.40102369 +1 30.81046664 +1 35.42758293 +1 0.1406 H( 1197 VAL 29) 23.08186213 +1 32.87670518 +1 35.72325521 +1 0.1479 H( 1198 VAL 29) 22.20384543 +1 31.54878292 +1 36.46972101 +1 0.1577 H( 1199 VAL 29) 21.67561758 +1 32.17618360 +1 34.89958759 +1 0.1602 H( 1200 VAL 29) 23.49189767 +1 28.78112860 +1 34.37059166 +1 0.1486 H( 1201 VAL 29) 22.41037040 +1 29.23333513 +1 35.68425098 +1 0.1473 H( 1202 VAL 29) 21.95813344 +1 29.57199575 +1 33.99932057 +1 0.1638 H( 1203 SER* 30) 23.43538622 +1 33.90842081 +1 32.64221616 +1 0.3767 H( 1204 SER* 30) 25.84012566 +1 34.87112554 +1 34.19198833 +1 0.1869 H( 1205 SER 30) 26.23622651 +1 36.52460305 +1 32.30586787 +1 0.1279 H( 1206 SER 30) 25.01757739 +1 35.65364409 +1 31.30117086 +1 0.1607 H( 1207 SER 30) 27.56060770 +1 34.79382181 +1 31.91691484 +1 0.3494 H( 1208 GLY* 31) 25.49103271 +1 36.92643342 +1 35.20113116 +1 0.3583 H( 1209 GLY* 31) 24.34600105 +1 38.84844644 +1 35.78643102 +1 0.2001 H( 1210 GLY* 31) 23.05503353 +1 38.48485094 +1 34.60829800 +1 0.2007 H( 1211 SER* 32) 22.88186235 +1 35.61467952 +1 35.93525083 +1 0.3300 H( 1212 SER* 32) 21.27098531 +1 36.50768663 +1 38.30239422 +1 0.2143 H( 1213 SER 32) 20.69721505 +1 34.45374097 +1 36.05307680 +1 0.1448 H( 1214 SER 32) 19.98953715 +1 34.21451219 +1 37.70232165 +1 0.1478 H( 1215 SER 32) 19.63660288 +1 36.64821649 +1 36.25615155 +1 0.3801 H( 1216 SER* 33) 20.97393598 +1 34.38403234 +1 39.75187482 +1 0.3314 H( 1217 SER* 33) 23.71349291 +1 33.63888450 +1 40.50719583 +1 0.1686 H( 1218 SER 33) 22.18399454 +1 34.08717431 +1 42.35487107 +1 0.1390 H( 1219 SER 33) 20.88196599 +1 33.03396173 +1 41.66230824 +1 0.1727 H( 1220 SER 33) 23.35391775 +1 32.03488837 +1 42.64243060 +1 0.3323 H( 1221 LYS* 34) 24.72647536 +1 31.83533241 +1 39.80817218 +1 0.3382 H( 1222 LYS* 34) 23.61591610 +1 30.00287205 +1 37.94045837 +1 0.1911 H( 1223 LYS 34) 26.03493353 +1 29.86395799 +1 39.88119530 +1 0.1496 H( 1224 LYS 34) 25.65085256 +1 28.56264376 +1 38.75754706 +1 0.1742 H( 1225 LYS 34) 26.04263411 +1 29.90640916 +1 36.80583226 +1 0.1631 H( 1226 LYS 34) 25.90371818 +1 31.42877569 +1 37.66954740 +1 0.1622 H( 1227 LYS 34) 28.13650616 +1 29.38201277 +1 38.27627015 +1 0.1396 H( 1228 LYS 34) 28.03682230 +1 31.04505474 +1 38.86391296 +1 0.1238 H( 1229 LYS 34) 29.61818967 +1 30.93252676 +1 37.00976285 +1 0.1252 H( 1230 LYS 34) 28.44551566 +1 30.07142590 +1 35.97619126 +1 0.1428 H( 1231 LYS 34) 28.85645482 +1 32.70266278 +1 35.85021501 +1 0.2542 H( 1232 LYS 34) 27.40653932 +1 32.05556928 +1 35.47723325 +1 0.2824 H( 1233 LYS* 35) 23.63473218 +1 29.92990954 +1 41.55219634 +1 0.3444 H( 1234 LYS* 35) 22.79218749 +1 27.22107128 +1 41.87394885 +1 0.2003 H( 1235 LYS 35) 22.52287155 +1 29.88257577 +1 43.43520415 +1 0.1685 H( 1236 LYS 35) 21.49483400 +1 28.55392629 +1 43.91679531 +1 0.1728 H( 1237 LYS 35) 24.56630822 +1 28.40626084 +1 43.74672517 +1 0.1318 H( 1238 LYS 35) 23.52957901 +1 27.05700977 +1 44.19844651 +1 0.1507 H( 1239 LYS 35) 24.53040729 +1 28.44634012 +1 46.14427238 +1 0.1351 H( 1240 LYS 35) 23.48577511 +1 29.77843000 +1 45.68014030 +1 0.1526 H( 1241 LYS 35) 22.37775191 +1 26.96294147 +1 46.28481707 +1 0.1147 H( 1242 LYS 35) 21.44629123 +1 28.47862784 +1 46.10549012 +1 0.1479 H( 1243 LYS 35) 23.38043071 +1 28.05374220 +1 48.30889289 +1 0.2408 H( 1244 LYS 35) 21.74881580 +1 27.99605064 +1 48.42385581 +1 0.2521 H( 1245 ASP* 36) 20.94684860 +1 30.15173341 +1 40.90286876 +1 0.3433 H( 1246 ASP* 36) 18.37877117 +1 28.85452947 +1 41.50572730 +1 0.2136 H( 1247 ASP 36) 19.10982530 +1 31.40523702 +1 39.85163552 +1 0.1987 H( 1248 ASP 36) 17.46270219 +1 30.87305971 +1 40.22197745 +1 0.2135 H( 1249 ASP 36) 18.62966225 +1 33.23790584 +1 42.85676524 +1 0.3842 H( 1250 TYR* 37) 20.56918788 +1 28.95122841 +1 38.67539046 +1 0.3317 H( 1251 TYR* 37) 18.33810208 +1 27.58245724 +1 37.16354689 +1 0.2156 H( 1252 TYR 37) 20.35400636 +1 29.69029886 +1 36.08577162 +1 0.1558 H( 1253 TYR 37) 19.20380373 +1 28.77592946 +1 35.10759855 +1 0.1799 H( 1254 TYR 37) 16.67881295 +1 28.95437002 +1 35.72076211 +1 0.1649 H( 1255 TYR 37) 19.65666437 +1 31.66404054 +1 37.21385533 +1 0.1508 H( 1256 TYR 37) 14.91945975 +1 30.60620345 +1 36.22418964 +1 0.1557 H( 1257 TYR 37) 17.89207324 +1 33.32570473 +1 37.71992274 +1 0.1792 H( 1258 TYR 37) 15.65920185 +1 33.88085974 +1 37.64205663 +1 0.3969 H( 1259 LEU* 38) 21.92086173 +1 27.41643965 +1 37.74320924 +1 0.3562 H( 1260 LEU* 38) 22.39605681 +1 26.15390259 +1 35.14987089 +1 0.1714 H( 1261 LEU 38) 24.11794155 +1 27.36568233 +1 36.65644977 +1 0.1523 H( 1262 LEU 38) 24.03662831 +1 25.99933216 +1 37.76854996 +1 0.1766 H( 1263 LEU 38) 24.77941573 +1 24.45909557 +1 35.85960399 +1 0.1467 H( 1264 LEU 38) 25.86657399 +1 25.57225951 +1 33.87501028 +1 0.1462 H( 1265 LEU 38) 24.13534960 +1 25.90067473 +1 33.91376450 +1 0.1529 H( 1266 LEU 38) 25.29026638 +1 27.15047192 +1 34.41784811 +1 0.1439 H( 1267 LEU 38) 27.15260185 +1 25.22127869 +1 36.02493511 +1 0.1414 H( 1268 LEU 38) 26.35235767 +1 25.35220861 +1 37.58547781 +1 0.1492 H( 1269 LEU 38) 26.64065385 +1 26.80599273 +1 36.61417109 +1 0.1399 H( 1270 ASN* 39) 22.05719838 +1 24.01750054 +1 34.64356363 +1 0.3647 H( 1271 ASN* 39) 21.70376835 +1 21.84297480 +1 34.75537700 +1 0.1821 H( 1272 ASN 39) 22.69848318 +1 22.19047377 +1 37.69407149 +1 0.2215 H( 1273 ASN 39) 22.06708752 +1 20.64009355 +1 37.15140826 +1 0.1858 H( 1274 ASN 39) 24.73072782 +1 20.65039052 +1 34.40246035 +1 0.3157 H( 1275 ASN 39) 23.07482607 +1 20.36232639 +1 34.47601986 +1 0.3294 H( 1276 LYS* 40) 19.71245699 +1 24.10142888 +1 36.05932908 +1 0.3645 H( 1277 LYS* 40) 17.76281294 +1 22.26341934 +1 37.28298723 +1 0.1812 H( 1278 LYS 40) 17.61390330 +1 25.17714498 +1 36.23756606 +1 0.1694 H( 1279 LYS 40) 16.27593414 +1 24.32589019 +1 37.02267932 +1 0.1733 H( 1280 LYS 40) 19.01635146 +1 24.72634971 +1 38.39684719 +1 0.1550 H( 1281 LYS 40) 17.71710219 +1 25.91764481 +1 38.46377851 +1 0.1546 H( 1282 LYS 40) 17.58219197 +1 23.00876396 +1 39.49401687 +1 0.1414 H( 1283 LYS 40) 16.16641216 +1 24.05414216 +1 39.38927017 +1 0.1515 H( 1284 LYS 40) 18.75718881 +1 24.76629497 +1 40.92230210 +1 0.1291 H( 1285 LYS 40) 17.31677140 +1 24.03376521 +1 41.67615141 +1 0.1386 H( 1286 LYS 40) 17.22897765 +1 26.68088031 +1 40.34946705 +1 0.2683 H( 1287 LYS 40) 17.38108168 +1 26.40515428 +1 41.95304448 +1 0.2646 H( 1288 SER* 41) 15.68806898 +1 21.75209322 +1 36.24966209 +1 0.3549 H( 1289 SER* 41) 16.13331352 +1 20.97162713 +1 33.43834719 +1 0.1947 H( 1290 SER 41) 13.75943825 +1 20.59756519 +1 35.41921170 +1 0.1318 H( 1291 SER 41) 13.80449646 +1 19.95677299 +1 33.72739330 +1 0.1703 H( 1292 SER 41) 15.54076738 +1 19.11433886 +1 35.83314118 +1 0.3636 H( 1293 ILE* 42) 15.31291036 +1 22.04003325 +1 31.65772061 +1 0.3564 H( 1294 ILE* 42) 14.25182891 +1 24.70217165 +1 31.98926821 +1 0.1873 H( 1295 ILE 42) 13.94686637 +1 24.66881494 +1 29.55436295 +1 0.1458 H( 1296 ILE 42) 14.69306359 +1 21.66798848 +1 29.61197667 +1 0.1422 H( 1297 ILE 42) 13.05743510 +1 22.28417285 +1 29.38300191 +1 0.1422 H( 1298 ILE 42) 16.60008378 +1 23.23384416 +1 30.22367299 +1 0.1412 H( 1299 ILE 42) 16.26736596 +1 24.37487076 +1 28.91986852 +1 0.2109 H( 1300 ILE 42) 16.27091718 +1 24.93607041 +1 30.59345304 +1 0.1427 H( 1301 ILE 42) 15.40730185 +1 23.03590876 +1 27.51196283 +1 0.1777 H( 1302 ILE 42) 14.30187057 +1 21.69615650 +1 27.21237119 +1 0.1464 H( 1303 ILE 42) 13.70221328 +1 23.36266967 +1 27.23586223 +1 0.1445 H( 1304 SER* 43) 12.11953797 +1 25.49788602 +1 31.34926761 +1 0.3582 H( 1305 SER* 43) 10.05144689 +1 23.76768734 +1 32.49287275 +1 0.1786 H( 1306 SER 43) 10.22306279 +1 26.29141537 +1 32.83954454 +1 0.1377 H( 1307 SER 43) 8.63981688 +1 25.81679344 +1 32.11641883 +1 0.1332 H( 1308 SER 43) 9.90423063 +1 27.65483898 +1 31.15196422 +1 0.3745 H( 1309 GLU* 44) 7.94435448 +1 23.44683732 +1 31.43932482 +1 0.3446 H( 1310 GLU* 44) 8.11329474 +1 22.22209544 +1 28.84870423 +1 0.2206 H( 1311 GLU 44) 5.66066279 +1 23.45377966 +1 30.35238441 +1 0.1478 H( 1312 GLU 44) 5.57024196 +1 22.44825507 +1 28.91592015 +1 0.1930 H( 1313 GLU 44) 7.13418256 +1 20.79406222 +1 30.46170556 +1 0.1818 H( 1314 GLU 44) 6.28776848 +1 21.65817921 +1 31.76230595 +1 0.1782 H( 1315 GLU 44) 5.91480045 +1 18.89119465 +1 31.04104394 +1 0.3699 H( 1316 MET* 45) 7.44776096 +1 25.66777495 +1 29.85274697 +1 0.3538 H( 1317 MET* 45) 6.52433733 +1 26.53431996 +1 27.27038414 +1 0.1806 H( 1318 MET 45) 8.14611928 +1 27.99964934 +1 29.49439267 +1 0.1768 H( 1319 MET 45) 6.39554538 +1 27.87696776 +1 29.39493635 +1 0.1544 H( 1320 MET 45) 6.69900021 +1 29.99772666 +1 28.44362032 +1 0.1562 H( 1321 MET 45) 6.64893463 +1 29.00772818 +1 26.97712642 +1 0.1772 H( 1322 MET 45) 10.53324144 +1 30.78371230 +1 28.74804266 +1 0.1715 H( 1323 MET 45) 9.40588033 +1 29.85538597 +1 29.73857199 +1 0.1846 H( 1324 MET 45) 8.94456197 +1 31.45788276 +1 29.13817281 +1 0.1689 H( 1325 LEU* 46) 9.90141120 +1 26.29323944 +1 28.68328759 +1 0.3578 H( 1326 LEU* 46) 11.18765792 +1 27.31619002 +1 26.32567835 +1 0.1873 H( 1327 LEU 46) 12.92052260 +1 25.35423029 +1 27.48666937 +1 0.1862 H( 1328 LEU 46) 11.92379101 +1 25.83506926 +1 28.85336598 +1 0.1629 H( 1329 LEU 46) 14.03780201 +1 27.04631010 +1 28.74566451 +1 0.1380 H( 1330 LEU 46) 14.54285991 +1 28.69109516 +1 26.92649117 +1 0.1352 H( 1331 LEU 46) 14.42929780 +1 27.04989469 +1 26.30566731 +1 0.1858 H( 1332 LEU 46) 13.09912103 +1 28.18825024 +1 26.02991862 +1 0.1366 H( 1333 LEU 46) 13.10750835 +1 29.38994780 +1 28.95637420 +1 0.1288 H( 1334 LEU 46) 12.02167637 +1 28.21097062 +1 29.70425787 +1 0.1488 H( 1335 LEU 46) 11.63547199 +1 28.89168151 +1 28.12577751 +1 0.1492 H( 1336 GLU* 47) 10.25919041 +1 23.93105264 +1 27.32143497 +1 0.3598 H( 1337 GLU* 47) 11.52667182 +1 22.67908927 +1 25.06498094 +1 0.2095 H( 1338 GLU 47) 9.72435081 +1 20.86121880 +1 25.54769485 +1 0.1644 H( 1339 GLU 47) 9.04725834 +1 21.89558277 +1 26.79548518 +1 0.1725 H( 1340 GLU 47) 11.94779043 +1 20.81346084 +1 26.72108645 +1 0.1843 H( 1341 GLU 47) 11.34506148 +1 21.92832419 +1 27.96084093 +1 0.1901 H( 1342 GLU 47) 12.31747591 +1 19.20536594 +1 28.59000777 +1 0.4398 H( 1343 ARG* 48) 8.15975958 +1 24.08965524 +1 25.43639971 +1 0.3647 H( 1344 ARG* 48) 7.30612957 +1 23.16201925 +1 22.81918266 +1 0.1777 H( 1345 ARG 48) 6.35648133 +1 25.56818867 +1 24.55042215 +1 0.1703 H( 1346 ARG 48) 5.52538295 +1 24.92979685 +1 23.12647957 +1 0.1459 H( 1347 ARG 48) 5.97669233 +1 23.47893284 +1 25.82055935 +1 0.1944 H( 1348 ARG 48) 5.36700567 +1 22.65235135 +1 24.40844190 +1 0.1422 H( 1349 ARG 48) 3.93945934 +1 25.27210742 +1 24.99036243 +1 0.1440 H( 1350 ARG 48) 3.25330414 +1 23.71461717 +1 24.50390631 +1 0.1434 H( 1351 ARG 48) 4.16591468 +1 24.53152451 +1 27.22227880 +1 0.3100 H( 1352 ARG 48) 3.42393203 +1 21.58413587 +1 25.50666798 +1 0.2905 H( 1353 ARG 48) 2.31566592 +1 21.02955986 +1 26.65967060 +1 0.3220 H( 1354 ARG 48) 2.84253316 +1 23.55904927 +1 28.93181797 +1 0.2715 H( 1355 THR* 49) 8.85649711 +1 26.20706390 +1 24.06882220 +1 0.3593 H( 1356 THR* 49) 8.56043175 +1 27.68588558 +1 21.60044659 +1 0.2130 H( 1357 THR 49) 10.76205354 +1 27.86457048 +1 23.81051201 +1 0.1304 H( 1358 THR 49) 8.84368923 +1 28.18829941 +1 24.78334482 +1 0.3537 H( 1359 THR 49) 11.27360427 +1 29.09847229 +1 21.59953282 +1 0.1636 H( 1360 THR 49) 9.72995013 +1 29.94163825 +1 21.73970324 +1 0.1807 H( 1361 THR 49) 10.97886853 +1 30.20783903 +1 22.95997377 +1 0.1525 H( 1362 MET* 50) 11.17762778 +1 25.43784889 +1 22.87486828 +1 0.3691 H( 1363 MET* 50) 12.91315110 +1 25.84401764 +1 20.58845324 +1 0.1857 H( 1364 MET 50) 13.70524500 +1 23.45068556 +1 21.40476038 +1 0.1598 H( 1365 MET 50) 12.52493346 +1 23.60471847 +1 22.70568936 +1 0.1837 H( 1366 MET 50) 14.97893974 +1 25.41841282 +1 22.16400232 +1 0.1649 H( 1367 MET 50) 13.67854810 +1 25.90872677 +1 23.28130748 +1 0.1703 H( 1368 MET 50) 16.45773871 +1 22.34666713 +1 23.98375221 +1 0.1625 H( 1369 MET 50) 14.95397066 +1 21.93440285 +1 23.12708207 +1 0.1669 H( 1370 MET 50) 16.13458496 +1 23.05053047 +1 22.39439442 +1 0.1633 H( 1371 ASP* 51) 10.32842012 +1 23.34726497 +1 21.32552043 +1 0.3601 H( 1372 ASP* 51) 10.68674125 +1 21.85104765 +1 18.92846022 +1 0.2149 H( 1373 ASP 51) 8.24388227 +1 22.43286855 +1 20.77355865 +1 0.1941 H( 1374 ASP 51) 8.10487673 +1 21.39341206 +1 19.34164571 +1 0.1902 H( 1375 ASP 51) 9.06432346 +1 19.35137713 +1 22.31095982 +1 0.3893 H( 1376 GLN* 52) 8.82830915 +1 24.93848565 +1 19.50673777 +1 0.3637 H( 1377 GLN* 52) 7.71090974 +1 24.76468446 +1 16.76382859 +1 0.1909 H( 1378 GLN 52) 7.58913063 +1 26.88269687 +1 19.04799917 +1 0.1844 H( 1379 GLN 52) 6.85003528 +1 27.12305253 +1 17.47223903 +1 0.1862 H( 1380 GLN 52) 6.24341400 +1 24.58226719 +1 19.09826811 +1 0.1663 H( 1381 GLN 52) 5.28938288 +1 25.28133187 +1 17.77235518 +1 0.1658 H( 1382 GLN 52) 4.78364038 +1 24.67722823 +1 20.83029313 +1 0.3055 H( 1383 GLN 52) 3.90594773 +1 26.05361899 +1 21.29959756 +1 0.3033 H( 1384 ARG* 53) 10.72692146 +1 25.73400827 +1 18.07958430 +1 0.3576 H( 1385 ARG* 53) 12.57315793 +1 26.39469681 +1 17.09434810 +1 0.1858 H( 1386 ARG 53) 12.55185522 +1 26.58914042 +1 14.47061994 +1 0.1575 H( 1387 ARG 53) 10.86232388 +1 26.08380658 +1 14.54234792 +1 0.1738 H( 1388 ARG 53) 13.36845056 +1 24.49193971 +1 15.36209866 +1 0.1458 H( 1389 ARG 53) 11.81650943 +1 24.07147847 +1 16.07041651 +1 0.1727 H( 1390 ARG 53) 12.25082634 +1 24.31103920 +1 13.00819403 +1 0.1219 H( 1391 ARG 53) 10.79364357 +1 23.70862415 +1 13.82160455 +1 0.1566 H( 1392 ARG 53) 13.41967145 +1 22.33182369 +1 13.54262175 +1 0.3293 H( 1393 ARG 53) 10.43111342 +1 20.63649259 +1 15.63829609 +1 0.3176 H( 1394 ARG 53) 10.55967958 +1 22.31549904 +1 15.70140586 +1 0.3266 H( 1395 ARG 53) 13.31805648 +1 20.05283601 +1 13.82086259 +1 0.3020 H( 1396 SER* 54) 9.77409116 +1 28.49196686 +1 16.67263106 +1 0.3533 H( 1397 SER* 54) 11.30284361 +1 30.65795393 +1 15.39166483 +1 0.1824 H( 1398 SER 54) 9.11921450 +1 31.94830589 +1 15.88147542 +1 0.1448 H( 1399 SER 54) 8.44940647 +1 30.46681964 +1 16.65111855 +1 0.1646 H( 1400 SER 54) 8.82659367 +1 29.45342658 +1 14.56512275 +1 0.3394 H( 1401 SER* 55) 11.70006641 +1 32.73574989 +1 16.50839919 +1 0.3354 H( 1402 SER* 55) 12.50424847 +1 32.37369204 +1 19.33753781 +1 0.1999 H( 1403 SER 55) 13.93409776 +1 33.72968126 +1 17.80233795 +1 0.1510 H( 1404 SER 55) 13.21278517 +1 34.78158729 +1 19.08659968 +1 0.1628 H( 1405 SER 55) 13.13226588 +1 35.36038876 +1 16.63272167 +1 0.3432 H( 1406 VAL* 56) 11.60014457 +1 33.84240345 +1 21.00230241 +1 0.3552 H( 1407 VAL* 56) 8.89974992 +1 34.87473669 +1 20.25331560 +1 0.1881 H( 1408 VAL 56) 7.93340487 +1 34.11929553 +1 22.38835939 +1 0.1200 H( 1409 VAL 56) 8.98950914 +1 31.80571792 +1 20.62236020 +1 0.1759 H( 1410 VAL 56) 7.57822365 +1 31.72295057 +1 21.67347905 +1 0.1615 H( 1411 VAL 56) 7.58752500 +1 32.79127275 +1 20.27228440 +1 0.1682 H( 1412 VAL 56) 10.51990281 +1 32.46558364 +1 22.69148029 +1 0.1661 H( 1413 VAL 56) 9.08365734 +1 32.19502295 +1 23.65291062 +1 0.1482 H( 1414 VAL 56) 9.96125835 +1 33.74030443 +1 23.78371926 +1 0.1403 H( 1415 LEU* 57) 8.21401870 +1 36.66845459 +1 21.49297022 +1 0.3273 H( 1416 LEU* 57) 10.17090424 +1 37.72983772 +1 23.50138962 +1 0.1939 H( 1417 LEU 57) 10.57016859 +1 38.86164623 +1 21.39222579 +1 0.1932 H( 1418 LEU 57) 8.84622818 +1 39.14509135 +1 21.10233123 +1 0.1588 H( 1419 LEU 57) 8.75098890 +1 40.71272842 +1 23.06716194 +1 0.1291 H( 1420 LEU 57) 11.81462861 +1 40.34482238 +1 23.13537897 +1 0.1574 H( 1421 LEU 57) 10.67724714 +1 39.85347455 +1 24.40644682 +1 0.1382 H( 1422 LEU 57) 10.89196140 +1 41.56575915 +1 24.02744071 +1 0.1520 H( 1423 LEU 57) 10.84597705 +1 41.32298535 +1 20.87772906 +1 0.1576 H( 1424 LEU 57) 9.10223454 +1 41.52717477 +1 20.73534079 +1 0.1452 H( 1425 LEU 57) 10.01781508 +1 42.52886647 +1 21.86476964 +1 0.1431 H( 1426 GLU* 58) 9.07219821 +1 38.08468109 +1 25.39704251 +1 0.3653 H( 1427 GLU* 58) 6.10621735 +1 38.62574164 +1 25.20692165 +1 0.1920 H( 1428 GLU 58) 7.75634626 +1 37.10724699 +1 27.34180963 +1 0.1672 H( 1429 GLU 58) 6.10198175 +1 37.68781707 +1 27.59725234 +1 0.1817 H( 1430 GLU 58) 6.88530063 +1 35.79966385 +1 25.28566924 +1 0.1641 H( 1431 GLU 58) 6.35709635 +1 35.23464481 +1 26.88320426 +1 0.1985 H( 1432 GLU 58) 4.92005242 +1 34.65598173 +1 24.58449699 +1 0.3868 H( 1433 SER* 59) 6.00871444 +1 40.83245715 +1 25.46468674 +1 0.3521 H( 1434 SER* 59) 8.17074310 +1 42.23880535 +1 26.93973981 +1 0.1925 H( 1435 SER 59) 7.41559675 +1 43.26146620 +1 24.83506556 +1 0.1514 H( 1436 SER 59) 6.75321196 +1 44.29514545 +1 26.16284651 +1 0.1637 H( 1437 SER 59) 5.22735899 +1 42.37487565 +1 24.71004226 +1 0.3424 H( 1438 ASP* 60) 4.88569951 +1 41.10468283 +1 27.66384175 +1 0.3266 H( 1439 ASP* 60) 5.25985159 +1 42.35325615 +1 30.36893327 +1 0.2046 H( 1440 ASP 60) 3.62614259 +1 43.70044075 +1 28.90266707 +1 0.1904 H( 1441 ASP 60) 2.57255299 +1 42.26678437 +1 28.80490711 +1 0.2000 H( 1442 ASP 60) 0.97051133 +1 42.96918748 +1 31.73451804 +1 0.4416 H( 1443 ALA* 61) 6.10673577 +1 40.11995317 +1 30.74314751 +1 0.3448 H( 1444 ALA* 61) 4.35961498 +1 37.83275430 +1 30.21338861 +1 0.1988 H( 1445 ALA 61) 6.99969517 +1 38.11110466 +1 31.85455823 +1 0.1605 H( 1446 ALA 61) 6.87469077 +1 37.67469417 +1 30.12830789 +1 0.1523 H( 1447 ALA 61) 6.22153629 +1 36.59541224 +1 31.37829191 +1 0.1804 H( 1448 LYS* 62) 5.07707529 +1 39.86109225 +1 33.12635822 +1 0.3647 H( 1449 LYS* 62) 4.23907985 +1 39.94832303 +1 35.15894058 +1 0.1964 H( 1450 LYS 62) 2.07511456 +1 37.91397613 +1 34.23162387 +1 0.1765 H( 1451 LYS 62) 2.04774912 +1 38.88128818 +1 35.72222151 +1 0.1437 H( 1452 LYS 62) 2.04725996 +1 40.01805642 +1 32.85186133 +1 0.1737 H( 1453 LYS 62) 1.97134668 +1 40.99375709 +1 34.31364998 +1 0.1416 H( 1454 LYS 62) -0.07306582 +1 38.74395004 +1 33.76389064 +1 0.1562 H( 1455 LYS 62) -0.23312688 +1 40.06002534 +1 34.92698396 +1 0.1326 H( 1456 LYS 62) -0.11492145 +1 40.34045841 +1 31.83747310 +1 0.1679 H( 1457 LYS 62) -1.59500104 +1 40.44002147 +1 32.82986332 +1 0.1187 H( 1458 LYS 62) 0.17517722 +1 42.32197639 +1 33.87207994 +1 0.2551 H( 1459 LYS 62) -1.08894567 +1 42.63570108 +1 32.88769329 +1 0.2440 H( 1460 SER* 63) 3.92206364 +1 36.46983052 +1 33.97764617 +1 0.3878 H( 1461 SER* 63) 5.91886680 +1 35.74239812 +1 36.08963121 +1 0.1923 H( 1462 SER 63) 3.57663923 +1 35.45482123 +1 37.11732731 +1 0.1290 H( 1463 SER 63) 3.22178302 +1 34.21960326 +1 35.84356623 +1 0.1560 H( 1464 SER 63) 5.10962487 +1 34.00136524 +1 37.93049151 +1 0.3671 H( 1465 VAL* 64) 6.98301423 +1 33.73610682 +1 35.55093707 +1 0.3573 H( 1466 VAL* 64) 6.17703410 +1 32.42189747 +1 33.03688764 +1 0.1935 H( 1467 VAL 64) 7.63712830 +1 34.35892286 +1 32.31585783 +1 0.1555 H( 1468 VAL 64) 10.09798322 +1 34.26967978 +1 32.76764993 +1 0.1368 H( 1469 VAL 64) 9.90642177 +1 32.84246449 +1 33.78762535 +1 0.1509 H( 1470 VAL 64) 9.21289273 +1 34.37038882 +1 34.30846962 +1 0.1580 H( 1471 VAL 64) 8.99420772 +1 32.99868362 +1 30.77666884 +1 0.1520 H( 1472 VAL 64) 8.93996042 +1 31.58773204 +1 31.82669179 +1 0.1575 H( 1473 VAL 64) 7.46415965 +1 32.16099574 +1 31.03276789 +1 0.1536 H( 1474 GLN* 65) 7.10866275 +1 30.30062454 +1 32.90622953 +1 0.3523 H( 1475 GLN* 65) 8.78332316 +1 29.50938646 +1 35.28760788 +1 0.2137 H( 1476 GLN 65) 8.35932402 +1 27.16999885 +1 34.39645034 +1 0.1712 H( 1477 GLN 65) 7.25441119 +1 27.82508860 +1 33.17488921 +1 0.1670 H( 1478 GLN 65) 6.90439079 +1 28.29006197 +1 36.20967591 +1 0.1850 H( 1479 GLN 65) 5.73966767 +1 28.71122460 +1 34.95548253 +1 0.1995 H( 1480 GLN 65) 4.50988297 +1 27.25462567 +1 36.66873497 +1 0.3410 H( 1481 GLN 65) 4.39354195 +1 25.59940277 +1 36.29675871 +1 0.3125 H( 1482 LEU* 66) 10.91392696 +1 29.66163045 +1 34.84563096 +1 0.3642 H( 1483 LEU* 66) 11.89129697 +1 29.12869302 +1 32.02496436 +1 0.1982 H( 1484 LEU 66) 14.07047625 +1 29.92994183 +1 32.97597538 +1 0.1750 H( 1485 LEU 66) 13.33125820 +1 30.20841199 +1 34.55935785 +1 0.1452 H( 1486 LEU 66) 11.75687398 +1 31.90084008 +1 33.53499556 +1 0.1331 H( 1487 LEU 66) 14.77370767 +1 32.42647496 +1 33.12716426 +1 0.1511 H( 1488 LEU 66) 13.87961844 +1 32.61797331 +1 34.63607727 +1 0.1464 H( 1489 LEU 66) 13.52960416 +1 33.66091033 +1 33.26371271 +1 0.1460 H( 1490 LEU 66) 13.42587108 +1 31.39176831 +1 30.99206586 +1 0.1468 H( 1491 LEU 66) 11.68374630 +1 31.16096897 +1 31.19967421 +1 0.1452 H( 1492 LEU 66) 12.36238585 +1 32.78660026 +1 31.23065596 +1 0.1400 H( 1493 VAL* 67) 12.07214583 +1 28.13388953 +1 35.52978707 +1 0.3581 H( 1494 VAL* 67) 13.41356436 +1 25.58043345 +1 34.68663955 +1 0.2116 H( 1495 VAL 67) 12.76615647 +1 26.86361787 +1 37.45235086 +1 0.1498 H( 1496 VAL 67) 14.07881475 +1 24.15921441 +1 36.71150505 +1 0.1729 H( 1497 VAL 67) 12.64540107 +1 24.42519907 +1 37.70736164 +1 0.1468 H( 1498 VAL 67) 14.23078228 +1 24.92062799 +1 38.30646034 +1 0.1551 H( 1499 VAL 67) 15.45457762 +1 26.39926639 +1 35.99631994 +1 0.1484 H( 1500 VAL 67) 14.65677798 +1 27.96355152 +1 36.22582817 +1 0.1442 H( 1501 VAL 67) 15.25147060 +1 27.07162429 +1 37.62460476 +1 0.1615 H( 1502 ASN* 68) 12.08535849 +1 23.71295512 +1 34.72387596 +1 0.3737 H( 1503 ASN* 68) 9.33237616 +1 24.18638004 +1 34.32130689 +1 0.1820 H( 1504 ASN 68) 10.83926373 +1 22.09097700 +1 33.68527420 +1 0.2414 H( 1505 ASN 68) 10.45327960 +1 21.46544734 +1 35.29198288 +1 0.1875 H( 1506 ASN 68) 9.09049558 +1 19.72608781 +1 34.48217366 +1 0.3213 H( 1507 ASN 68) 7.60735585 +1 20.00091806 +1 33.69455226 +1 0.3163 H( 1508 GLY* 69) 7.51664724 +1 24.29578498 +1 35.51551873 +1 0.3656 H( 1509 GLY* 69) 7.34292059 +1 23.11790977 +1 38.21133504 +1 0.1948 H( 1510 GLY* 69) 6.08835855 +1 24.00885884 +1 37.29509758 +1 0.1858 H( 1511 ILE* 70) 9.11245639 +1 25.84306064 +1 37.37549431 +1 0.3727 H( 1512 ILE* 70) 8.38452013 +1 26.96575967 +1 40.04311789 +1 0.1815 H( 1513 ILE 70) 10.84146158 +1 27.40764324 +1 38.22100305 +1 0.1679 H( 1514 ILE 70) 12.04849379 +1 26.06048488 +1 39.87638826 +1 0.1635 H( 1515 ILE 70) 10.73575940 +1 25.11953568 +1 39.15437523 +1 0.1469 H( 1516 ILE 70) 11.79615810 +1 28.54895442 +1 40.25045981 +1 0.1809 H( 1517 ILE 70) 10.24663564 +1 28.41712900 +1 41.09335498 +1 0.1402 H( 1518 ILE 70) 10.37936766 +1 29.41704286 +1 39.63702957 +1 0.1389 H( 1519 ILE 70) 10.89370315 +1 24.72485158 +1 41.61360780 +1 0.1457 H( 1520 ILE 70) 9.33981266 +1 25.47455320 +1 41.24422253 +1 0.1355 H( 1521 ILE 70) 10.65597217 +1 26.43411103 +1 41.95103718 +1 0.1456 H( 1522 ASP* 71) 6.67733513 +1 28.33808210 +1 39.74687972 +1 0.3299 H( 1523 ASP* 71) 6.50081865 +1 30.22754668 +1 37.52277538 +1 0.2109 H( 1524 ASP 71) 5.15402245 +1 30.19169797 +1 40.33388120 +1 0.1820 H( 1525 ASP 71) 4.79369093 +1 31.36197813 +1 39.07398874 +1 0.2267 H( 1526 ASP 71) 3.33572179 +1 28.84530257 +1 40.25313268 +1 0.3879 H( 1527 GLU* 72) 7.69648189 +1 32.03981848 +1 37.27923346 +1 0.3801 H( 1528 GLU* 72) 8.87549142 +1 33.26852092 +1 39.77044608 +1 0.1754 H( 1529 GLU 72) 10.50539975 +1 34.17120813 +1 37.80752203 +1 0.1722 H( 1530 GLU 72) 9.90898835 +1 32.78223689 +1 36.90291471 +1 0.2012 H( 1531 GLU 72) 11.15804865 +1 32.55340962 +1 39.73983942 +1 0.1823 H( 1532 GLU 72) 10.71788047 +1 31.21892897 +1 38.66848798 +1 0.1785 H( 1533 GLU 72) 13.85515732 +1 31.55981528 +1 37.07756522 +1 0.4180 H( 1534 ASP* 73) 8.39669979 +1 35.40979963 +1 40.02989543 +1 0.3351 H( 1535 ASP* 73) 6.53659740 +1 36.83702123 +1 38.28946704 +1 0.2148 H( 1536 ASP 73) 8.56482708 +1 37.77509004 +1 40.46306536 +1 0.1802 H( 1537 ASP 73) 7.44532004 +1 38.84133557 +1 39.60400406 +1 0.2231 H( 1538 ASP 73) 7.21232495 +1 38.64403748 +1 42.27271190 +1 0.3848 H( 1539 MET* 74) 7.06303002 +1 37.93936782 +1 36.42723469 +1 0.3672 H( 1540 MET* 74) 9.92615928 +1 38.62659330 +1 35.92837807 +1 0.1912 H( 1541 MET 74) 9.20457447 +1 36.19494921 +1 35.12849450 +1 0.1766 H( 1542 MET 74) 8.16896273 +1 36.98138092 +1 33.95110848 +1 0.1707 H( 1543 MET 74) 10.33331023 +1 36.42058322 +1 32.89074041 +1 0.1616 H( 1544 MET 74) 10.16546421 +1 38.17667391 +1 32.92459099 +1 0.1736 H( 1545 MET 74) 13.00332581 +1 35.80045306 +1 35.69470714 +1 0.1804 H( 1546 MET 74) 11.91508096 +1 35.05310801 +1 34.51946518 +1 0.1661 H( 1547 MET 74) 11.27732592 +1 35.70742521 +1 36.04608397 +1 0.1756 H( 1548 ASN* 75) 10.05915070 +1 40.52430955 +1 34.62082585 +1 0.3423 H( 1549 ASN* 75) 7.46141223 +1 41.81228930 +1 34.02916818 +1 0.2175 H( 1550 ASN 75) 10.36650616 +1 42.76274635 +1 33.26626114 +1 0.2034 H( 1551 ASN 75) 9.66043045 +1 43.04283215 +1 34.86011938 +1 0.2081 H( 1552 ASN 75) 7.00926611 +1 43.74167300 +1 34.40061347 +1 0.3212 H( 1553 ASN 75) 6.85194817 +1 45.05726166 +1 33.31872622 +1 0.3521 H( 1554 SER* 76) 10.41459814 +1 40.56726176 +1 32.18890287 +1 0.3626 H( 1555 SER* 76) 8.55709402 +1 39.71158864 +1 30.04148105 +1 0.1990 H( 1556 SER 76) 9.87093651 +1 41.14752954 +1 28.31153511 +1 0.1616 H( 1557 SER 76) 8.76782072 +1 42.07027284 +1 29.42081519 +1 0.1713 H( 1558 SER 76) 10.75643494 +1 42.62012069 +1 30.61507306 +1 0.3887 H( 1559 TYR* 77) 9.82366840 +1 38.68600418 +1 28.22331373 +1 0.3722 H( 1560 TYR* 77) 12.66216101 +1 38.10028217 +1 28.77975676 +1 0.1857 H( 1561 TYR 77) 12.45425166 +1 35.71334826 +1 29.06112910 +1 0.1647 H( 1562 TYR 77) 11.51967114 +1 36.51407948 +1 30.33092306 +1 0.1729 H( 1563 TYR 77) 11.32652423 +1 34.39224640 +1 27.30745746 +1 0.1564 H( 1564 TYR 77) 9.02088311 +1 36.39809856 +1 30.32311208 +1 0.1539 H( 1565 TYR 77) 9.34674584 +1 33.07155022 +1 26.66597782 +1 0.1746 H( 1566 TYR 77) 7.03394162 +1 35.04945622 +1 29.69211743 +1 0.1909 H( 1567 TYR 77) 7.11296618 +1 32.75590529 +1 26.92383930 +1 0.3666 H( 1568 THR* 78) 13.59892592 +1 36.81320527 +1 26.98858774 +1 0.3758 H( 1569 THR* 78) 11.72282928 +1 36.37551041 +1 24.67717382 +1 0.2069 H( 1570 THR 78) 12.62012208 +1 38.60411912 +1 24.25297559 +1 0.1553 H( 1571 THR 78) 13.90769379 +1 36.67074528 +1 22.61102955 +1 0.3140 H( 1572 THR 78) 15.40903776 +1 37.25923843 +1 24.67906652 +1 0.1648 H( 1573 THR 78) 14.76763176 +1 38.62405013 +1 25.59897729 +1 0.1567 H( 1574 THR 78) 15.18254925 +1 38.81221540 +1 23.87731287 +1 0.1687 H( 1575 VAL* 79) 12.49098850 +1 34.72286910 +1 23.25230048 +1 0.3718 H( 1576 VAL* 79) 14.76547028 +1 33.10540691 +1 24.40632137 +1 0.2068 H( 1577 VAL 79) 12.00785810 +1 31.94818130 +1 23.58492346 +1 0.1513 H( 1578 VAL 79) 14.58554653 +1 30.61960704 +1 24.66815577 +1 0.1564 H( 1579 VAL 79) 13.02056497 +1 29.80666695 +1 24.52844621 +1 0.1691 H( 1580 VAL 79) 13.85100051 +1 30.37253137 +1 23.07686620 +1 0.1538 H( 1581 VAL 79) 13.29339818 +1 32.33530741 +1 26.36979842 +1 0.1527 H( 1582 VAL 79) 11.88460647 +1 31.31251489 +1 26.05508098 +1 0.1579 H( 1583 VAL 79) 11.79280693 +1 33.05509823 +1 25.77364975 +1 0.1382 H( 1584 GLY* 80) 16.10092209 +1 32.34754265 +1 22.82975266 +1 0.3696 H( 1585 GLY* 80) 16.78551103 +1 32.74127286 +1 20.48849680 +1 0.1889 H( 1586 GLY* 80) 15.12583579 +1 32.38143156 +1 19.95835816 +1 0.1956 H( 1587 PRO* 81) 15.94527008 +1 27.93036393 +1 21.02512829 +1 0.1787 H( 1588 PRO 81) 14.73754057 +1 27.81040933 +1 18.17495140 +1 0.1821 H( 1589 PRO 81) 14.46157743 +1 26.71500309 +1 19.53120701 +1 0.1646 H( 1590 PRO 81) 13.03639113 +1 28.35061028 +1 20.67519570 +1 0.1524 H( 1591 PRO 81) 12.59489258 +1 28.58647913 +1 18.99062122 +1 0.1905 H( 1592 PRO 81) 14.03921727 +1 30.51317501 +1 18.71410253 +1 0.1639 H( 1593 PRO 81) 13.51291093 +1 30.71661935 +1 20.42869302 +1 0.1512 H( 1594 ILE* 82) 17.76904832 +1 26.76542901 +1 20.45810736 +1 0.3722 H( 1595 ILE* 82) 19.44461622 +1 27.85193330 +1 18.21250990 +1 0.1769 H( 1596 ILE 82) 20.02831256 +1 25.71862989 +1 20.38983232 +1 0.1554 H( 1597 ILE 82) 20.95829136 +1 28.66048267 +1 20.20525048 +1 0.1354 H( 1598 ILE 82) 19.63696230 +1 28.12059479 +1 21.23361648 +1 0.1503 H( 1599 ILE 82) 22.38271736 +1 25.96571872 +1 19.63802720 +1 0.1451 H( 1600 ILE 82) 21.39279848 +1 25.51843028 +1 18.25230356 +1 0.1476 H( 1601 ILE 82) 21.94298871 +1 27.19395045 +1 18.45051819 +1 0.1690 H( 1602 ILE 82) 22.57083115 +1 27.20861549 +1 21.49211317 +1 0.1285 H( 1603 ILE 82) 21.23424846 +1 26.58512805 +1 22.47921543 +1 0.1533 H( 1604 ILE 82) 21.68735964 +1 28.28263990 +1 22.58066123 +1 0.1410 H( 1605 VAL* 83) 18.84589962 +1 26.92113267 +1 16.29846700 +1 0.3501 H( 1606 VAL* 83) 18.04018220 +1 24.00868067 +1 16.36329604 +1 0.2061 H( 1607 VAL 83) 17.26340338 +1 26.28146441 +1 14.40040170 +1 0.1426 H( 1608 VAL 83) 17.30099397 +1 24.11652015 +1 13.21320027 +1 0.1478 H( 1609 VAL 83) 16.45743604 +1 23.29775173 +1 14.53914316 +1 0.1662 H( 1610 VAL 83) 15.60944471 +1 24.50936429 +1 13.57723404 +1 0.1408 H( 1611 VAL 83) 16.16856784 +1 26.50070399 +1 16.65267470 +1 0.1583 H( 1612 VAL 83) 15.59540261 +1 24.82665244 +1 16.56727529 +1 0.1585 H( 1613 VAL 83) 14.99858783 +1 26.04734364 +1 15.42709665 +1 0.1594 H( 1614 ALA* 84) 19.51892731 +1 22.63021266 +1 15.48278265 +1 0.3797 H( 1615 ALA* 84) 21.41746444 +1 23.78433170 +1 13.44036131 +1 0.1857 H( 1616 ALA 84) 23.13232475 +1 22.24177756 +1 14.33587096 +1 0.1650 H( 1617 ALA 84) 22.02967112 +1 21.63895800 +1 15.58680280 +1 0.1729 H( 1618 ALA 84) 22.58165933 +1 23.32192506 +1 15.62370746 +1 0.1628 H( 1619 ASN* 85) 21.27966710 +1 22.73465974 +1 11.53015695 +1 0.3617 H( 1620 ASN* 85) 20.42248764 +1 21.41554058 +1 9.90460208 +1 0.1796 H( 1621 ASN 85) 20.91612395 +1 19.11252888 +1 11.90360870 +1 0.1939 H( 1622 ASN 85) 20.85335267 +1 18.99528256 +1 10.14655647 +1 0.1915 H( 1623 ASN 85) 24.43158314 +1 19.58205895 +1 11.75283066 +1 0.3139 H( 1624 ASN 85) 23.09894225 +1 18.85638722 +1 12.51486615 +1 0.3090 H( 1625 GLY* 86) 18.32595247 +1 22.60444062 +1 11.36477097 +1 0.3464 H( 1626 GLY* 86) 16.15713568 +1 20.74571380 +1 10.76325565 +1 0.1935 H( 1627 GLY* 86) 16.04317791 +1 22.44379904 +1 11.32271547 +1 0.1700 H( 1628 ASP* 87) 18.07532953 +1 20.69508007 +1 13.49853142 +1 0.3515 H( 1629 ASP* 87) 15.72616348 +1 19.68952130 +1 15.07883540 +1 0.2170 H( 1630 ASP 87) 18.76788343 +1 19.04908999 +1 15.20541276 +1 0.2039 H( 1631 ASP 87) 17.53731660 +1 18.08310717 +1 14.36247697 +1 0.1929 H( 1632 ASP 87) 18.25192955 +1 17.17472721 +1 18.09074090 +1 0.4258 H( 1633 PRO* 88) 16.76701207 +1 23.11334345 +1 17.90144686 +1 0.1725 H( 1634 PRO 88) 14.85081393 +1 21.65873328 +1 19.76420328 +1 0.1554 H( 1635 PRO 88) 14.77362093 +1 23.32485567 +1 19.17696151 +1 0.1582 H( 1636 PRO 88) 13.66563983 +1 22.70914342 +1 17.16086572 +1 0.1599 H( 1637 PRO 88) 13.04166052 +1 21.46305334 +1 18.21586869 +1 0.1692 H( 1638 PRO 88) 14.63991889 +1 19.78377929 +1 17.43252127 +1 0.1816 H( 1639 PRO 88) 14.34772611 +1 20.73292725 +1 15.94351943 +1 0.1800 H( 1640 ILE* 89) 18.68574214 +1 22.88570485 +1 18.97050705 +1 0.3574 H( 1641 ILE* 89) 19.05574327 +1 20.47978676 +1 20.73889959 +1 0.1883 H( 1642 ILE 89) 21.46890587 +1 20.92325350 +1 20.41917971 +1 0.1250 H( 1643 ILE 89) 21.09152886 +1 23.48418705 +1 19.96784694 +1 0.1360 H( 1644 ILE 89) 20.70029872 +1 23.03931467 +1 18.30699663 +1 0.1558 H( 1645 ILE 89) 21.57674365 +1 19.96588109 +1 18.20366628 +1 0.1399 H( 1646 ILE 89) 19.94412636 +1 19.53373152 +1 18.73848672 +1 0.1870 H( 1647 ILE 89) 20.16168499 +1 20.85515109 +1 17.62423817 +1 0.1772 H( 1648 ILE 89) 23.38490006 +1 22.44674580 +1 19.71214308 +1 0.1298 H( 1649 ILE 89) 22.98543365 +1 21.97715013 +1 18.05913116 +1 0.1546 H( 1650 ILE 89) 23.08889889 +1 23.68742324 +1 18.49022310 +1 0.1405 H( 1651 GLY* 90) 18.26131017 +1 23.78292207 +1 21.03181434 +1 0.3621 H( 1652 GLY* 90) 20.00891019 +1 24.49191089 +1 23.24449626 +1 0.1897 H( 1653 GLY* 90) 18.48916515 +1 23.80717267 +1 23.86173326 +1 0.2178 H( 1654 ALA* 91) 18.94198927 +1 26.38786313 +1 24.52913888 +1 0.3838 H( 1655 ALA* 91) 17.84601265 +1 28.18706580 +1 22.40287460 +1 0.1725 H( 1656 ALA 91) 16.37800534 +1 27.66074714 +1 25.09219417 +1 0.2089 H( 1657 ALA 91) 15.83729761 +1 27.11549054 +1 23.51116430 +1 0.1794 H( 1658 ALA 91) 15.92116790 +1 28.85948511 +1 23.85721242 +1 0.1432 H( 1659 VAL* 92) 18.02619139 +1 30.42379012 +1 22.96632957 +1 0.3638 H( 1660 VAL* 92) 19.79274323 +1 30.94729000 +1 25.35613328 +1 0.1933 H( 1661 VAL 92) 19.31206784 +1 32.56149597 +1 22.73726614 +1 0.1625 H( 1662 VAL 92) 21.20611228 +1 33.96963043 +1 23.60207941 +1 0.1453 H( 1663 VAL 92) 21.27199867 +1 33.02254636 +1 25.09296585 +1 0.1497 H( 1664 VAL 92) 19.84947576 +1 34.00036219 +1 24.73376170 +1 0.1497 H( 1665 VAL 92) 21.75150200 +1 30.87926128 +1 23.62826855 +1 0.1416 H( 1666 VAL 92) 20.64191935 +1 30.49951628 +1 22.30397266 +1 0.1624 H( 1667 VAL 92) 21.67618238 +1 31.92307375 +1 22.19784134 +1 0.1452 H( 1668 VAL* 93) 18.82955950 +1 32.21286212 +1 26.94845262 +1 0.3738 H( 1669 VAL* 93) 16.16948484 +1 33.45804964 +1 26.24891816 +1 0.2057 H( 1670 VAL 93) 17.16054085 +1 32.22398906 +1 28.92543136 +1 0.1515 H( 1671 VAL 93) 15.56609025 +1 34.06228734 +1 29.32469048 +1 0.1410 H( 1672 VAL 93) 14.70458000 +1 32.54007364 +1 29.55999404 +1 0.1546 H( 1673 VAL 93) 14.46193390 +1 33.47479173 +1 28.07736983 +1 0.1576 H( 1674 VAL 93) 16.73131244 +1 30.41473376 +1 27.30225742 +1 0.1712 H( 1675 VAL 93) 15.38722637 +1 30.46911437 +1 28.44446044 +1 0.1468 H( 1676 VAL 93) 15.19062711 +1 31.12576723 +1 26.81351587 +1 0.1520 H( 1677 ILE* 94) 16.00457112 +1 35.61587074 +1 26.85297174 +1 0.3651 H( 1678 ILE* 94) 18.05638940 +1 36.61959789 +1 28.83729652 +1 0.2141 H( 1679 ILE 94) 16.98981658 +1 38.14954941 +1 26.35784333 +1 0.1444 H( 1680 ILE 94) 19.82566481 +1 37.23417117 +1 27.18441893 +1 0.1456 H( 1681 ILE 94) 18.83743751 +1 36.43266315 +1 25.97155684 +1 0.1444 H( 1682 ILE 94) 18.91698924 +1 39.02078738 +1 28.62082690 +1 0.1670 H( 1683 ILE 94) 17.24911915 +1 39.57136028 +1 28.47506151 +1 0.1549 H( 1684 ILE 94) 18.43014284 +1 39.99966882 +1 27.22973863 +1 0.1522 H( 1685 ILE 94) 20.42940739 +1 37.85754574 +1 24.80507133 +1 0.1360 H( 1686 ILE 94) 18.84855370 +1 38.62030710 +1 24.60124954 +1 0.1515 H( 1687 ILE 94) 20.00376027 +1 39.27512594 +1 25.77797715 +1 0.1493 H( 1688 PHE* 95) 17.00866097 +1 37.71972495 +1 30.53890067 +1 0.3704 H( 1689 PHE* 95) 14.12543729 +1 38.41829085 +1 30.12218126 +1 0.1934 H( 1690 PHE 95) 14.16346249 +1 35.99669969 +1 30.76125212 +1 0.1676 H( 1691 PHE 95) 13.32119562 +1 37.02887028 +1 31.91942840 +1 0.1797 H( 1692 PHE 95) 14.42243358 +1 37.56536228 +1 34.15010959 +1 0.1619 H( 1693 PHE 95) 16.17940809 +1 34.77023226 +1 31.40451695 +1 0.1539 H( 1694 PHE 95) 15.75428980 +1 36.59687575 +1 35.99515986 +1 0.1488 H( 1695 PHE 95) 17.55308287 +1 33.84157936 +1 33.23510764 +1 0.1603 H( 1696 PHE 95) 17.34638028 +1 34.74420600 +1 35.53790813 +1 0.1607 H( 1697 SER* 96) 13.18194065 +1 39.49772625 +1 32.10124503 +1 0.3729 H( 1698 SER* 96) 15.22032571 +1 40.53906122 +1 34.00255223 +1 0.1797 H( 1699 SER 96) 15.29405676 +1 42.11052028 +1 31.99786826 +1 0.1474 H( 1700 SER 96) 13.53302539 +1 42.46147117 +1 32.23400828 +1 0.1662 H( 1701 SER 96) 15.71350052 +1 43.33154043 +1 33.76095844 +1 0.4088 H( 1702 LYS* 97) 14.29539715 +1 40.98067728 +1 35.93240138 +1 0.3480 H( 1703 LYS* 97) 11.42568580 +1 40.38586550 +1 36.26956428 +1 0.1958 H( 1704 LYS 97) 13.63286383 +1 41.36880513 +1 38.22737930 +1 0.1449 H( 1705 LYS 97) 11.97223032 +1 40.98697798 +1 38.66730744 +1 0.1773 H( 1706 LYS 97) 14.23568079 +1 39.10836151 +1 37.94320612 +1 0.1378 H( 1707 LYS 97) 12.67071164 +1 38.65490008 +1 37.28124376 +1 0.1684 H( 1708 LYS 97) 13.15836396 +1 39.32667338 +1 40.25279304 +1 0.1297 H( 1709 LYS 97) 11.60540707 +1 38.85137499 +1 39.54662133 +1 0.1620 H( 1710 LYS 97) 14.16566590 +1 37.11404294 +1 39.45070736 +1 0.1488 H( 1711 LYS 97) 12.88043908 +1 36.93697446 +1 40.66887775 +1 0.1033 H( 1712 LYS 97) 11.72661127 +1 35.72893918 +1 39.14244548 +1 0.2512 H( 1713 LYS 97) 11.84833233 +1 36.86232858 +1 37.98245348 +1 0.2829 H( 1714 ASP* 98) 13.39020926 +1 43.33986622 +1 35.70566446 +1 0.3570 H( 1715 ASP* 98) 10.90964527 +1 44.90244209 +1 36.44448173 +1 0.2255 H( 1716 ASP 98) 12.58389794 +1 45.10216853 +1 38.25740769 +1 0.1865 H( 1717 ASP 98) 12.36566432 +1 46.63804489 +1 37.40372815 +1 0.2049 H( 1718 ASP 98) 15.94829352 +1 46.48909054 +1 37.62088182 +1 0.4064 H( 1719 GLN* 99) 13.40935993 +1 44.35106582 +1 33.94312092 +1 0.3668 H( 1720 GLN* 99) 12.49957926 +1 46.94277097 +1 32.73446176 +1 0.1888 H( 1721 GLN 99) 14.99011330 +1 45.14979168 +1 32.25273629 +1 0.1822 H( 1722 GLN 99) 14.52992555 +1 46.48864693 +1 31.19095572 +1 0.1416 H( 1723 GLN 99) 15.20651219 +1 46.62440335 +1 34.20782462 +1 0.2028 H( 1724 GLN 99) 14.61191596 +1 48.03045071 +1 33.31915294 +1 0.1631 H( 1725 GLN 99) 17.68876077 +1 48.03141860 +1 31.15785669 +1 0.3186 H( 1726 GLN 99) 16.02586719 +1 48.10093726 +1 30.94013727 +1 0.2973 H( 1727 THR*100) 12.16005232 +1 46.92200962 +1 30.35785013 +1 0.3268 H( 1728 THR*100) 10.61178314 +1 44.49521516 +1 29.66883490 +1 0.2110 H( 1729 THR 100) 10.71200670 +1 47.35741258 +1 28.40474411 +1 0.1489 H( 1730 THR 100) 9.11481225 +1 46.14816191 +1 30.41006032 +1 0.3551 H( 1731 THR 100) 9.93746630 +1 45.35651218 +1 26.83700950 +1 0.1634 H( 1732 THR 100) 8.68991724 +1 45.01076866 +1 28.05485977 +1 0.1878 H( 1733 THR 100) 8.67755500 +1 46.55379468 +1 27.21361563 +1 0.1709 H( 1734 MET*101) 11.45787908 +1 43.00754016 +1 28.31676000 +1 0.3716 H( 1735 MET*101) 13.88624111 +1 43.49066452 +1 26.74398770 +1 0.1665 H( 1736 MET 101) 13.37191949 +1 41.23235022 +1 25.81140398 +1 0.1660 H( 1737 MET 101) 11.76061705 +1 41.23785097 +1 26.52447069 +1 0.1737 H( 1738 MET 101) 13.26458176 +1 39.87621503 +1 27.90848181 +1 0.1712 H( 1739 MET 101) 12.70936777 +1 41.25879379 +1 28.85288126 +1 0.1894 H( 1740 MET 101) 15.85319359 +1 42.93221280 +1 29.91895020 +1 0.1979 H( 1741 MET 101) 14.08869532 +1 42.98800637 +1 29.81868220 +1 0.1770 H( 1742 MET 101) 15.07221877 +1 43.75915993 +1 28.56583903 +1 0.1611 H( 1743 GLY*102) 14.02336721 +1 44.08387178 +1 24.58719787 +1 0.3666 H( 1744 GLY*102) 12.68113570 +1 45.77630582 +1 23.21467305 +1 0.1733 H( 1745 GLY*102) 11.42428728 +1 44.49834681 +1 23.10990975 +1 0.2065 H( 1746 GLU*103) 12.79238988 +1 45.55570460 +1 20.81154286 +1 0.3418 H( 1747 GLU*103) 13.40523627 +1 43.01243161 +1 19.58537730 +1 0.2219 H( 1748 GLU 103) 14.04788220 +1 45.86788969 +1 18.52987659 +1 0.1482 H( 1749 GLU 103) 12.43351347 +1 45.12564445 +1 18.49411579 +1 0.1714 H( 1750 GLU 103) 14.93942727 +1 43.89120556 +1 17.17816626 +1 0.1922 H( 1751 GLU 103) 13.75398405 +1 44.89670172 +1 16.33343350 +1 0.1717 H( 1752 GLU 103) 13.68918588 +1 42.84767727 +1 15.02326586 +1 0.4206 H( 1753 VAL*104) 15.54700491 +1 45.53466328 +1 21.08824162 +1 0.3544 H( 1754 VAL*104) 18.01604009 +1 44.66952053 +1 19.98206855 +1 0.2010 H( 1755 VAL 104) 17.21365155 +1 45.60106081 +1 22.84498094 +1 0.1318 H( 1756 VAL 104) 20.03411101 +1 45.15634256 +1 21.66201302 +1 0.1773 H( 1757 VAL 104) 19.33392228 +1 44.35328101 +1 23.07028822 +1 0.1482 H( 1758 VAL 104) 19.69821977 +1 46.08138453 +1 23.13174346 +1 0.1549 H( 1759 VAL 104) 18.52021860 +1 47.06326096 +1 20.44840923 +1 0.1593 H( 1760 VAL 104) 16.86876197 +1 47.30577424 +1 21.03253210 +1 0.1673 H( 1761 VAL 104) 18.24269539 +1 47.77036720 +1 22.03825758 +1 0.1529 H( 1762 GLU*105) 16.27085432 +1 43.35747685 +1 22.95563062 +1 0.3611 H( 1763 GLU*105) 18.31793852 +1 41.28459866 +1 23.26837455 +1 0.1798 H( 1764 GLU 105) 16.60365038 +1 40.42899902 +1 24.97202342 +1 0.1748 H( 1765 GLU 105) 15.47157800 +1 41.69622785 +1 24.47884457 +1 0.1753 H( 1766 GLU 105) 18.32211554 +1 42.37209001 +1 25.47093858 +1 0.1748 H( 1767 GLU 105) 16.99761500 +1 42.08462822 +1 26.59989575 +1 0.2028 H( 1768 GLU 105) 18.20871635 +1 44.88201599 +1 26.59538144 +1 0.4838 H( 1769 HIS*106) 15.05080284 +1 41.52086418 +1 21.73729586 +1 0.3558 H( 1770 HIS*106) 14.61194559 +1 38.68597102 +1 21.39653330 +1 0.2237 H( 1771 HIS 106) 13.74517663 +1 41.20753971 +1 19.77947759 +1 0.1563 H( 1772 HIS 106) 12.89157006 +1 40.46440652 +1 21.15681991 +1 0.1772 H( 1773 HIS 106) 11.96044816 +1 40.60885892 +1 17.69214013 +1 0.2175 H( 1774 HIS 106) 11.55252250 +1 36.48376335 +1 18.45195073 +1 0.2150 H( 1775 HIS 106) 11.08462957 +1 38.45198567 +1 16.84169725 +1 0.3141 H( 1776 LYS*107) 16.14763852 +1 41.18579598 +1 19.14039788 +1 0.3627 H( 1777 LYS*107) 16.93775018 +1 39.05872766 +1 17.33284766 +1 0.1952 H( 1778 LYS 107) 18.52163030 +1 40.89852881 +1 16.44987849 +1 0.1640 H( 1779 LYS 107) 17.95354171 +1 41.97955557 +1 17.72466926 +1 0.1649 H( 1780 LYS 107) 16.75275411 +1 42.29465602 +1 15.51309860 +1 0.1379 H( 1781 LYS 107) 15.67993329 +1 41.99224682 +1 16.88743355 +1 0.1452 H( 1782 LYS 107) 15.62271898 +1 39.48349709 +1 16.21207797 +1 0.1614 H( 1783 LYS 107) 14.78154937 +1 40.61530352 +1 15.19211563 +1 0.1603 H( 1784 LYS 107) 17.53206588 +1 39.34024042 +1 14.66316477 +1 0.1290 H( 1785 LYS 107) 17.00019437 +1 40.76038559 +1 13.74408579 +1 0.1353 H( 1786 LYS 107) 16.36516958 +1 38.34070830 +1 12.96448744 +1 0.2532 H( 1787 LYS 107) 15.09193686 +1 38.54133402 +1 13.92740475 +1 0.2733 H( 1788 ALA*108) 18.53555824 +1 40.48294830 +1 20.25544460 +1 0.3601 H( 1789 ALA*108) 21.11290296 +1 39.38217839 +1 19.71252543 +1 0.1920 H( 1790 ALA 108) 21.42942393 +1 39.57494578 +1 22.17310067 +1 0.1649 H( 1791 ALA 108) 19.67974971 +1 39.69785469 +1 22.45949755 +1 0.1692 H( 1792 ALA 108) 20.53027298 +1 40.99658055 +1 21.60103874 +1 0.1884 H( 1793 VAL*109) 18.12054515 +1 37.81215682 +1 21.25800900 +1 0.3780 H( 1794 VAL*109) 19.73001318 +1 35.42232963 +1 21.79141530 +1 0.1786 H( 1795 VAL 109) 17.60855427 +1 34.23884250 +1 22.17778564 +1 0.1602 H( 1796 VAL 109) 18.74675833 +1 35.64976281 +1 23.97311382 +1 0.1410 H( 1797 VAL 109) 17.01201258 +1 35.43352393 +1 24.23282007 +1 0.1626 H( 1798 VAL 109) 17.62985798 +1 36.97540797 +1 23.61341749 +1 0.1616 H( 1799 VAL 109) 16.14371397 +1 36.90624519 +1 21.55252280 +1 0.1714 H( 1800 VAL 109) 16.12560484 +1 35.49838272 +1 20.50362541 +1 0.1686 H( 1801 VAL 109) 15.41644555 +1 35.39404780 +1 22.11202244 +1 0.1464 H( 1802 GLU*110) 17.78735939 +1 36.54945244 +1 18.93784323 +1 0.3610 H( 1803 GLU*110) 17.87904479 +1 33.92210348 +1 17.67028701 +1 0.2129 H( 1804 GLU 110) 17.67326603 +1 36.78694660 +1 16.44385560 +1 0.1698 H( 1805 GLU 110) 16.30763917 +1 35.83893168 +1 17.01977876 +1 0.1906 H( 1806 GLU 110) 18.24838314 +1 34.79765612 +1 14.84412392 +1 0.1708 H( 1807 GLU 110) 16.73435047 +1 34.04073875 +1 15.34937201 +1 0.2167 H( 1808 GLU 110) 17.39242438 +1 34.93412496 +1 12.72436358 +1 0.4162 H( 1809 THR*111) 20.05103572 +1 36.91862813 +1 17.56427625 +1 0.3861 H( 1810 THR*111) 21.83133918 +1 35.78614535 +1 15.61803588 +1 0.1940 H( 1811 THR 111) 22.21969522 +1 37.87475650 +1 17.93000795 +1 0.1661 H( 1812 THR 111) 21.88279038 +1 38.31755910 +1 15.15044484 +1 0.3223 H( 1813 THR 111) 24.47958386 +1 36.92801939 +1 17.16442790 +1 0.1623 H( 1814 THR 111) 23.99024207 +1 37.05583860 +1 15.47330015 +1 0.1610 H( 1815 THR 111) 24.22497237 +1 38.52039160 +1 16.44653756 +1 0.1778 H( 1816 ALA*112) 21.71680714 +1 35.56956914 +1 19.25455727 +1 0.3630 H( 1817 ALA*112) 24.30251011 +1 34.25398418 +1 19.51336766 +1 0.1807 H( 1818 ALA 112) 23.41740637 +1 33.71515154 +1 21.78323060 +1 0.1662 H( 1819 ALA 112) 21.75727863 +1 34.14213276 +1 21.31270282 +1 0.1763 H( 1820 ALA 112) 23.00114425 +1 35.39594379 +1 21.40491315 +1 0.1726 H( 1821 ALA*113) 20.81784775 +1 33.07058933 +1 19.17217957 +1 0.3679 H( 1822 ALA*113) 21.56239117 +1 30.30643027 +1 19.50363533 +1 0.1822 H( 1823 ALA 113) 19.27851650 +1 29.96541857 +1 18.32940117 +1 0.1903 H( 1824 ALA 113) 19.20234173 +1 31.04388131 +1 19.72157014 +1 0.1991 H( 1825 ALA 113) 19.16050220 +1 31.71820105 +1 18.09964216 +1 0.1682 H( 1826 GLY*114) 21.47142610 +1 32.50141671 +1 16.59110084 +1 0.3583 H( 1827 GLY*114) 22.09016645 +1 32.12032445 +1 14.42474327 +1 0.1709 H( 1828 GLY*114) 21.75554109 +1 30.37126291 +1 14.64487813 +1 0.1766 H( 1829 PHE*115) 24.11077359 +1 32.47967007 +1 16.46938675 +1 0.3550 H( 1830 PHE*115) 26.39232710 +1 31.40018667 +1 15.00402618 +1 0.1919 H( 1831 PHE 115) 26.38662116 +1 33.63050237 +1 16.16310475 +1 0.1677 H( 1832 PHE 115) 26.06055551 +1 32.87691236 +1 17.72345850 +1 0.1724 H( 1833 PHE 115) 28.57683423 +1 32.90428659 +1 14.91622925 +1 0.1515 H( 1834 PHE 115) 27.84593053 +1 32.09491764 +1 19.06108044 +1 0.1578 H( 1835 PHE 115) 31.00244246 +1 32.63733743 +1 15.28604494 +1 0.1448 H( 1836 PHE 115) 30.26980115 +1 31.86892052 +1 19.43971886 +1 0.1491 H( 1837 PHE 115) 31.85662431 +1 32.12610804 +1 17.55298958 +1 0.1425 H( 1838 LEU*116) 24.77831842 +1 30.55562086 +1 18.18338024 +1 0.3575 H( 1839 LEU*116) 26.90037527 +1 28.67503908 +1 18.85290103 +1 0.1872 H( 1840 LEU 116) 25.11312119 +1 27.85727073 +1 20.50944896 +1 0.1513 H( 1841 LEU 116) 23.97034064 +1 29.02259836 +1 19.82833344 +1 0.1630 H( 1842 LEU 116) 25.55396412 +1 30.90806395 +1 20.44386026 +1 0.1555 H( 1843 LEU 116) 24.92203751 +1 30.85409564 +1 22.84644746 +1 0.1347 H( 1844 LEU 116) 24.56725251 +1 29.12194409 +1 22.76110672 +1 0.1403 H( 1845 LEU 116) 23.58971114 +1 30.27672619 +1 21.84772609 +1 0.1517 H( 1846 LEU 116) 27.68755226 +1 29.64621272 +1 20.61997343 +1 0.1451 H( 1847 LEU 116) 27.06826873 +1 28.68787075 +1 21.97213517 +1 0.1393 H( 1848 LEU 116) 27.32957775 +1 30.42716678 +1 22.16202957 +1 0.1341 H( 1849 ALA*117) 23.93472991 +1 28.46473290 +1 16.83975444 +1 0.3556 H( 1850 ALA*117) 23.84664408 +1 25.55266878 +1 16.88454607 +1 0.1768 H( 1851 ALA*117) 25.57524091 +1 26.89227674 +1 14.64183162 +1 0.1421 H( 1852 ALA 117) 22.82752767 +1 27.59689085 +1 14.77420533 +1 0.1606 H( 1853 ALA 117) 22.32458878 +1 25.89262209 +1 14.92547372 +1 0.1730 H( 1854 ALA 117) 21.91899821 +1 27.06294381 +1 16.19120495 +1 0.1753 H( 1855 HOH 118) 28.71819744 +1 25.90454735 +1 29.14633615 +1 0.3499 H( 1856 HOH 118) 27.38830056 +1 25.51986256 +1 29.83692498 +1 0.3693 H( 1857 HOH 119) 28.98253106 +1 24.94645782 +1 24.65052474 +1 0.3591 H( 1858 HOH 119) 29.30903851 +1 25.08266898 +1 26.14194231 +1 0.3632 H( 1859 HOH 120) 32.21874037 +1 36.20202881 +1 26.98201318 +1 0.3667 H( 1860 HOH 120) 32.94585697 +1 37.52475199 +1 27.21288501 +1 0.3525 H( 1861 HOH 121) 33.54693421 +1 35.58152265 +1 28.75658527 +1 0.3789 H( 1862 HOH 121) 34.63658482 +1 35.34554315 +1 29.80828763 +1 0.3505 H( 1863 HOH 122) 30.08296319 +1 41.98812371 +1 24.73346701 +1 0.3446 H( 1864 HOH 122) 29.20135325 +1 41.69409533 +1 25.95798908 +1 0.3754 H( 1865 HOH 123) 31.42030831 +1 41.68129974 +1 26.63411919 +1 0.3647 H( 1866 HOH 123) 31.90795198 +1 41.48049805 +1 28.07047028 +1 0.3343 H( 1867 HOH 124) 20.37897881 +1 46.61703405 +1 26.40747874 +1 0.3481 H( 1868 HOH 124) 20.45716917 +1 45.77451006 +1 27.70312712 +1 0.3888 H( 1869 HOH 125) 22.77077953 +1 40.66760406 +1 28.53327242 +1 0.3579 H( 1870 HOH 125) 21.77599111 +1 40.12342448 +1 29.59575438 +1 0.3728 H( 1871 HOH 126) 25.33596718 +1 19.41769589 +1 27.04459432 +1 0.3677 H( 1872 HOH 126) 24.73170707 +1 19.75857458 +1 25.65472509 +1 0.3632 H( 1873 HOH 127) 22.94030648 +1 18.37915873 +1 30.65013032 +1 0.3629 H( 1874 HOH 127) 22.85691359 +1 19.12921055 +1 29.31959499 +1 0.3467 H( 1875 HOH 128) 20.44747791 +1 19.26012825 +1 23.36115115 +1 0.3603 H( 1876 HOH 128) 21.93661002 +1 19.14892776 +1 23.59404507 +1 0.3739 H( 1877 HOH 129) 14.66953954 +1 19.53030923 +1 25.44768130 +1 0.3589 H( 1878 HOH 129) 14.42888189 +1 19.12683435 +1 23.97391459 +1 0.3447 H( 1879 HOH 130) 21.49592541 +1 16.28294152 +1 26.83529396 +1 0.3512 H( 1880 HOH 130) 21.22481271 +1 17.65598951 +1 26.19689853 +1 0.3560 H( 1881 HOH 131) 16.69663921 +1 14.66529079 +1 28.92841579 +1 0.3405 H( 1882 HOH 131) 15.74049587 +1 15.43282022 +1 29.80902724 +1 0.3484 H( 1883 HOH 132) 15.42296037 +1 19.25223077 +1 31.30372558 +1 0.3550 H( 1884 HOH 132) 14.93900329 +1 18.53173383 +1 32.56045789 +1 0.3404 H( 1885 HOH 133) 28.62909772 +1 26.47752090 +1 32.74835740 +1 0.3374 H( 1886 HOH 133) 27.63133840 +1 26.95597812 +1 31.72740028 +1 0.3847 H( 1887 HOH 134) 22.16304296 +1 17.72343426 +1 32.77810738 +1 0.3714 H( 1888 HOH 134) 22.42505539 +1 16.40410404 +1 32.04309669 +1 0.3327 H( 1889 HOH 135) 15.10374915 +1 18.82740534 +1 21.17865865 +1 0.3503 H( 1890 HOH 135) 13.77386560 +1 18.37291781 +1 21.76709514 +1 0.3467 H( 1891 HOH 136) 27.71969762 +1 30.16353227 +1 33.81993399 +1 0.3355 H( 1892 HOH 136) 27.68177766 +1 28.64328469 +1 33.60370887 +1 0.3600 H( 1893 HOH 137) 28.06198144 +1 36.59974356 +1 35.26737802 +1 0.3441 H( 1894 HOH 137) 27.10954284 +1 35.92197149 +1 36.26243257 +1 0.3602 H( 1895 HOH 138) 26.80033291 +1 33.31590335 +1 36.98531075 +1 0.3608 H( 1896 HOH 138) 25.60695714 +1 33.59033752 +1 36.07071483 +1 0.3438 H( 1897 HOH 139) 18.21256806 +1 35.89861986 +1 37.99425721 +1 0.3645 H( 1898 HOH 139) 16.75651504 +1 35.74963840 +1 38.48368013 +1 0.3595 H( 1899 HOH 140) 26.18070513 +1 33.71593922 +1 40.28051830 +1 0.3564 H( 1900 HOH 140) 27.04435415 +1 32.57147300 +1 39.80010239 +1 0.3549 H( 1901 HOH 141) 25.79204742 +1 31.30109044 +1 42.14032993 +1 0.3595 H( 1902 HOH 141) 25.71878255 +1 30.34898409 +1 43.34840489 +1 0.3556 H( 1903 HOH 142) 18.70225804 +1 27.05021700 +1 43.87179769 +1 0.3264 H( 1904 HOH 142) 19.37833116 +1 25.92455837 +1 43.12171320 +1 0.3475 H( 1905 HOH 143) 15.57976502 +1 28.54579506 +1 39.75119543 +1 0.3464 H( 1906 HOH 143) 14.52152598 +1 27.76426408 +1 40.49905627 +1 0.3477 H( 1907 HOH 144) 15.01471442 +1 34.69669428 +1 39.22357266 +1 0.3592 H( 1908 HOH 144) 14.23380845 +1 35.30659882 +1 38.06821799 +1 0.4146 H( 1909 HOH 145) 24.80164223 +1 22.82556343 +1 33.67269679 +1 0.3293 H( 1910 HOH 145) 23.62758055 +1 22.77915306 +1 32.72656577 +1 0.3518 H( 1911 HOH 146) 23.24684997 +1 17.95161155 +1 34.76742869 +1 0.3471 H( 1912 HOH 146) 21.76794014 +1 18.35519794 +1 34.91371695 +1 0.3865 H( 1913 HOH 147) 18.48939067 +1 20.34883215 +1 37.49042594 +1 0.3862 H( 1914 HOH 147) 18.49229787 +1 19.68439336 +1 38.87846919 +1 0.3475 H( 1915 HOH 148) 19.82377243 +1 17.87550106 +1 35.60535324 +1 0.3492 H( 1916 HOH 148) 20.35043987 +1 19.19642436 +1 36.16777170 +1 0.3842 H( 1917 HOH 149) 15.22088767 +1 25.71056743 +1 41.45949699 +1 0.3777 H( 1918 HOH 149) 14.16823434 +1 24.82404322 +1 40.80192719 +1 0.3224 H( 1919 HOH 150) 16.94662387 +1 18.68635883 +1 37.49876662 +1 0.3747 H( 1920 HOH 150) 16.64649086 +1 17.25302847 +1 36.98001081 +1 0.3429 H( 1921 HOH 151) 13.86043761 +1 21.81665453 +1 37.93936673 +1 0.3820 H( 1922 HOH 151) 14.99224175 +1 20.81756845 +1 38.26040399 +1 0.3518 H( 1923 HOH 152) 12.41418792 +1 20.61377138 +1 31.33755883 +1 0.3487 H( 1924 HOH 152) 13.27770115 +1 19.32664966 +1 31.24164601 +1 0.3643 H( 1925 HOH 153) 3.98372754 +1 31.07876911 +1 34.24917177 +1 0.3603 H( 1926 HOH 153) 4.33510268 +1 30.60047499 +1 32.85397773 +1 0.3291 H( 1927 HOH 154) 11.60725440 +1 38.44413171 +1 42.29746213 +1 0.3489 H( 1928 HOH 154) 10.41464286 +1 37.60607962 +1 41.83130508 +1 0.3607 H( 1929 HOH 155) 14.51484458 +1 18.91266051 +1 27.94058122 +1 0.3608 H( 1930 HOH 155) 13.59765779 +1 17.77237002 +1 27.58225297 +1 0.3400 H( 1931 HOH 156) 7.35750468 +1 29.35003317 +1 19.47293678 +1 0.3620 H( 1932 HOH 156) 5.89215879 +1 28.90270297 +1 19.46540731 +1 0.3586 H( 1933 HOH 157) 9.75293289 +1 41.48596510 +1 41.56504498 +1 0.3425 H( 1934 HOH 157) 10.19852409 +1 40.06385641 +1 41.20707369 +1 0.3607 H( 1935 HOH 158) 8.61800531 +1 44.71775527 +1 21.02806080 +1 0.3464 H( 1936 HOH 158) 9.12000483 +1 45.07329335 +1 22.42828244 +1 0.3749 H( 1937 HOH 159) 14.78371913 +1 24.91324110 +1 12.05018045 +1 0.3209 H( 1938 HOH 159) 13.38929057 +1 24.39965548 +1 11.72421210 +1 0.3298 H( 1939 HOH 160) 9.69035810 +1 29.53301184 +1 19.01256730 +1 0.3807 H( 1940 HOH 160) 9.49334591 +1 28.08534985 +1 19.49186379 +1 0.3762 H( 1941 HOH 161) 23.47096504 +1 40.94356734 +1 20.04027405 +1 0.3456 H( 1942 HOH 161) 23.64994845 +1 39.43945918 +1 19.74374586 +1 0.3747 H( 1943 HOH 162) 13.75034181 +1 31.98961903 +1 14.98736572 +1 0.3433 H( 1944 HOH 162) 12.72917542 +1 33.03550548 +1 14.51560921 +1 0.3559 H( 1945 HOH 163) 10.26250595 +1 33.57103890 +1 14.61694916 +1 0.3596 H( 1946 HOH 163) 11.16110977 +1 34.42254580 +1 15.54785006 +1 0.3703 H( 1947 HOH 164) 5.33402990 +1 38.28893313 +1 22.08112773 +1 0.3566 H( 1948 HOH 164) 4.39532944 +1 37.39505709 +1 22.87247052 +1 0.3355 H( 1949 HOH 165) 26.66156950 +1 22.90206721 +1 19.07287200 +1 0.3305 H( 1950 HOH 165) 27.29807357 +1 22.02562575 +1 18.02787323 +1 0.3418 H( 1951 HOH 166) 4.53505468 +1 40.12893631 +1 23.75620501 +1 0.3905 H( 1952 HOH 166) 3.55303014 +1 40.80307299 +1 24.73700713 +1 0.3706 H( 1953 HOH 167) 5.80147305 +1 41.69382194 +1 32.46219461 +1 0.3533 H( 1954 HOH 167) 4.39434665 +1 42.29661056 +1 32.58598179 +1 0.3732 H( 1955 HOH 168) 7.18391635 +1 40.87200573 +1 37.62344861 +1 0.3532 H( 1956 HOH 168) 5.99375195 +1 40.09373388 +1 37.06778794 +1 0.3446 H( 1957 HOH 169) 5.52090057 +1 34.89346123 +1 39.86353507 +1 0.3606 H( 1958 HOH 169) 4.02927709 +1 34.69742840 +1 39.70334367 +1 0.3478 H( 1959 HOH 170) 6.47116919 +1 25.93940388 +1 32.65871253 +1 0.3691 H( 1960 HOH 170) 5.46096051 +1 25.37483807 +1 31.67562346 +1 0.3440 H( 1961 HOH 171) 5.43905008 +1 30.60330439 +1 30.67082790 +1 0.3556 H( 1962 HOH 171) 5.68113551 +1 29.15677423 +1 31.13783450 +1 0.3526 H( 1963 HOH 172) 5.41527755 +1 23.22060453 +1 34.46203295 +1 0.3291 H( 1964 HOH 172) 6.33021063 +1 22.27188407 +1 33.75706439 +1 0.3467 H( 1965 HOH 173) 11.68952085 +1 21.88780511 +1 39.11669473 +1 0.3442 H( 1966 HOH 173) 11.41198165 +1 22.36729610 +1 37.70682670 +1 0.3792 H( 1967 HOH 174) 5.01465043 +1 25.35078105 +1 39.50061697 +1 0.3627 H( 1968 HOH 174) 4.06132294 +1 24.65007538 +1 40.44346522 +1 0.3284 H( 1969 HOH 175) 4.72327307 +1 32.11167237 +1 36.12631111 +1 0.3768 H( 1970 HOH 175) 4.52532733 +1 30.57843364 +1 36.29423742 +1 0.3632 H( 1971 HOH 176) 10.68784367 +1 30.83016065 +1 42.59890102 +1 0.3419 H( 1972 HOH 176) 9.49542299 +1 31.42094133 +1 41.83198884 +1 0.3590 H( 1973 HOH 177) 11.83298970 +1 30.10324923 +1 37.01337227 +1 0.3786 H( 1974 HOH 177) 10.49641772 +1 29.26870773 +1 37.01543047 +1 0.4029 H( 1975 HOH 178) 9.54756810 +1 34.42555467 +1 42.06450176 +1 0.3677 H( 1976 HOH 178) 8.34882971 +1 35.29467282 +1 42.45208704 +1 0.3512 H( 1977 HOH 179) 5.73416116 +1 46.11123943 +1 31.47666820 +1 0.3472 H( 1978 HOH 179) 4.88758839 +1 45.03349093 +1 32.16542864 +1 0.3679 H( 1979 HOH 180) 7.43860019 +1 32.72008982 +1 24.46690421 +1 0.3450 H( 1980 HOH 180) 6.89981780 +1 31.36862881 +1 24.91018349 +1 0.3643 H( 1981 HOH 181) 16.99770798 +1 31.62564767 +1 16.63169620 +1 0.3548 H( 1982 HOH 181) 16.49908851 +1 30.67583104 +1 17.72134062 +1 0.3707 H( 1983 HOH 182) 20.15802733 +1 28.88736749 +1 15.95345005 +1 0.3424 H( 1984 HOH 182) 19.49324899 +1 28.19025974 +1 14.76045164 +1 0.3407 H( 1985 HOH 183) 21.91107400 +1 27.30026147 +1 12.37535403 +1 0.3391 H( 1986 HOH 183) 20.74001164 +1 26.37870317 +1 12.72208551 +1 0.3707 H( 1987 HOH 184) 21.96002314 +1 25.20393429 +1 11.29672883 +1 0.3686 H( 1988 HOH 184) 22.85647948 +1 24.29410409 +1 10.42808712 +1 0.3537 H( 1989 HOH 185) 19.12645625 +1 24.97919486 +1 11.89187645 +1 0.3621 H( 1990 HOH 185) 18.06590380 +1 25.41784705 +1 10.87794320 +1 0.3496 H( 1991 HOH 186) 23.38501412 +1 20.34185682 +1 22.02053145 +1 0.3548 H( 1992 HOH 186) 22.26218609 +1 21.11620221 +1 22.73293710 +1 0.3852 H( 1993 HOH 187) 17.33381617 +1 40.59510818 +1 34.90571005 +1 0.3603 H( 1994 HOH 187) 17.15271039 +1 40.34443721 +1 33.39018502 +1 0.3769 H( 1995 HOH 188) 17.78563113 +1 43.80868121 +1 32.85131354 +1 0.3921 H( 1996 HOH 188) 17.73263333 +1 42.58801971 +1 33.77730278 +1 0.3533 H( 1997 HOH 189) 16.65167461 +1 41.26445394 +1 36.95436163 +1 0.3626 H( 1998 HOH 189) 16.47064278 +1 39.73474404 +1 37.02009348 +1 0.3588 H( 1999 HOH 190) 9.41525473 +1 41.42225079 +1 37.63329102 +1 0.3721 H( 2000 HOH 190) 9.16685187 +1 40.87733090 +1 39.03874129 +1 0.3591 H( 2001 HOH 191) 9.59202144 +1 46.92547817 +1 35.61902521 +1 0.3449 H( 2002 HOH 191) 8.17400142 +1 46.56820914 +1 35.22915070 +1 0.3360 H( 2003 HOH 192) 10.12945054 +1 47.71232173 +1 33.50780295 +1 0.3426 H( 2004 HOH 192) 9.02863887 +1 46.98576838 +1 32.77004136 +1 0.3419 H( 2005 HOH 193) 20.06667962 +1 46.21152036 +1 37.05860863 +1 0.3350 H( 2006 HOH 193) 18.78773504 +1 45.83302097 +1 36.33093690 +1 0.3532 H( 2007 HOH 194) 18.70200630 +1 48.75559976 +1 28.83487728 +1 0.3219 H( 2008 HOH 194) 19.03353541 +1 47.27484593 +1 28.75798277 +1 0.3604 H( 2009 HOH 195) 13.30821695 +1 47.22342107 +1 25.28624172 +1 0.3492 H( 2010 HOH 195) 12.58900953 +1 47.36622552 +1 26.61696945 +1 0.3448 H( 2011 HOH 196) 7.36284809 +1 49.15428085 +1 30.16502016 +1 0.3314 H( 2012 HOH 196) 7.84059326 +1 47.99499167 +1 29.32967393 +1 0.3477 H( 2013 HOH 197) 14.48200887 +1 46.69871527 +1 26.63563564 +1 0.3650 H( 2014 HOH 197) 14.39398252 +1 45.16607370 +1 26.63359475 +1 0.3538 H( 2015 HOH 198) 8.87140195 +1 45.71289080 +1 24.51516977 +1 0.3453 H( 2016 HOH 198) 9.68019879 +1 44.41204626 +1 24.47808948 +1 0.3856 H( 2017 HOH 199) 14.92852472 +1 43.23196912 +1 13.19760870 +1 0.3891 H( 2018 HOH 199) 13.47814518 +1 43.70225149 +1 13.07618554 +1 0.3458 H( 2019 HOH 200) 11.58133404 +1 48.25985319 +1 20.32157386 +1 0.3526 H( 2020 HOH 200) 11.01494822 +1 47.12062597 +1 21.17744215 +1 0.3686 H( 2021 HOH 201) 13.84787524 +1 47.63965560 +1 21.68739517 +1 0.3646 H( 2022 HOH 201) 14.81852130 +1 47.28489679 +1 22.83430243 +1 0.3706 H( 2023 HOH 202) 21.06317885 +1 42.39396663 +1 18.68712958 +1 0.3613 H( 2024 HOH 202) 20.01368817 +1 42.82657177 +1 19.71106836 +1 0.3483 H( 2025 HOH 203) 16.34156165 +1 47.24765933 +1 23.85998460 +1 0.3406 H( 2026 HOH 203) 15.52648601 +1 46.15000805 +1 24.59809664 +1 0.4003 H( 2027 HOH 204) 16.47411234 +1 47.60311595 +1 25.61454168 +1 0.3838 H( 2028 HOH 204) 17.10063207 +1 48.88105344 +1 26.21891690 +1 0.3470 H( 2029 HOH 205) 18.17507249 +1 47.03655783 +1 26.90026279 +1 0.4148 H( 2030 HOH 205) 16.80369251 +1 46.43196696 +1 27.36002453 +1 0.3603 H( 2031 HOH 206) 14.42493546 +1 39.41704580 +1 12.14039941 +1 0.3556 H( 2032 HOH 206) 13.03869877 +1 39.19491312 +1 12.72666901 +1 0.3486 H( 2033 HOH 207) 15.79614739 +1 42.32161475 +1 11.24114138 +1 0.3457 H( 2034 HOH 207) 15.80730204 +1 41.37261054 +1 12.44495446 +1 0.3749 H( 2035 HOH 208) 24.22595988 +1 37.26831045 +1 20.09476314 +1 0.3684 H( 2036 HOH 208) 22.71745870 +1 37.48615825 +1 20.39472073 +1 0.3820 H( 2037 HOH 209) 19.05559843 +1 32.62108358 +1 15.86536834 +1 0.3697 H( 2038 HOH 209) 18.77669217 +1 31.13715676 +1 15.53704042 +1 0.3556 H( 2039 HOH 210) 19.09320039 +1 33.27478270 +1 11.74078292 +1 0.3471 H( 2040 HOH 210) 19.14166773 +1 33.32826301 +1 13.27119514 +1 0.3601 H( 2041 HOH 211) 13.15832987 +1 37.21405238 +1 14.40696540 +1 0.3493 H( 2042 HOH 211) 11.82282467 +1 37.17155946 +1 13.67505972 +1 0.3392 H( 2043 HOH 212) 22.38234286 +1 40.58659475 +1 18.07991116 +1 0.3651 H( 2044 HOH 212) 21.34924822 +1 39.97966674 +1 17.12212278 +1 0.3647 H( 2045 HOH 213) 24.78472395 +1 25.55402155 +1 21.64468741 +1 0.3382 H( 2046 HOH 213) 23.83884610 +1 25.15779974 +1 22.77756369 +1 0.3389 H( 2047 HOH 214) 26.01590190 +1 22.71469860 +1 13.68095469 +1 0.3346 H( 2048 HOH 214) 27.32109368 +1 22.33762473 +1 14.32389553 +1 0.3462 H( 2049 HOH 215) 27.15891507 +1 24.32529743 +1 15.85796590 +1 0.3601 H( 2050 HOH 215) 28.67573063 +1 24.39189968 +1 15.90006641 +1 0.3380