SUMMARY OF PM6 CALCULATION, Site No: 13048 MOPAC2012 (Version: 12.112M) Thu Apr 26 09:57:22 2012 No. of days left = 361 Empirical Formula: C371 H710 N88 O215 = 1384 atoms CUTOFF=5 XENO(0,0,1,0,HYDROXYPROLINE) START_RES(1 31 61 201) SETUP LET NOOPT OPT-H PM6 LET GNORM=5 PDBOUT PL MOZYME NOOPT OPT-H 1CAG HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -10521.20930 KCAL/MOL = -44020.73971 KJ/MOL TOTAL ENERGY = -133647.63129 EV ELECTRONIC ENERGY = -6818041.42172 EV CORE-CORE REPULSION = 6684393.79043 EV GRADIENT NORM = 4.49972 DIPOLE = 163.31139 DEBYE NO. OF FILLED LEVELS = 1962 MOLECULAR WEIGHT = 9844.151 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 851 O 183 87.76722 H 1196 H 1380 21.27406 H 1357 H 1351 19.24406 SCF CALCULATIONS = 47 COMPUTATION TIME = 16 MINUTES AND 39.301 SECONDS FINAL GEOMETRY OBTAINED CHARGE *HEADER COLLAGEN 29-MAR-94 1CAG *TITLE CRYSTAL AND MOLECULAR STRUCTURE OF A COLLAGEN-LIKE PEPTIDE *TITLE 2 AT 1.9 ANGSTROM RESOLUTION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: COLLAGEN-LIKE PEPTIDE; *COMPND 3 CHAIN: A, B, C; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1 *KEYWDS COLLAGEN *EXPDTA X-RAY DIFFRACTION *AUTHOR J.BELLA,M.EATON,B.BRODSKY,H.M.BERMAN *REVDAT 2 01-APR-03 1CAG 1 JRNL *REVDAT 1 01-NOV-94 1CAG 0 *JRNL AUTH J.BELLA,M.EATON,B.BRODSKY,H.M.BERMAN *JRNL TITL CRYSTAL AND MOLECULAR STRUCTURE OF A COLLAGEN-LIKE *JRNL TITL 2 PEPTIDE AT 1.9 A RESOLUTION. *JRNL REF SCIENCE V. 266 75 1994 *JRNL REFN ASTM SCIEAS US ISSN 0036-8075 *REMARK 1 *REMARK 2 *REMARK 2 RESOLUTION. 1.85 ANGSTROMS. *REMARK 3 *REMARK 3 REFINEMENT. *REMARK 3 PROGRAM : X-PLOR *REMARK 3 AUTHORS : BRUNGER *REMARK 3 *REMARK 3 DATA USED IN REFINEMENT. *REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 *REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 *REMARK 3 DATA CUTOFF (SIGMA(F)) : 3.000 *REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL *REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL *REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL *REMARK 3 NUMBER OF REFLECTIONS : 3393 *REMARK 3 *REMARK 3 FIT TO DATA USED IN REFINEMENT. *REMARK 3 CROSS-VALIDATION METHOD : NULL *REMARK 3 FREE R VALUE TEST SET SELECTION : NULL *REMARK 3 R VALUE (WORKING SET) : 0.197 *REMARK 3 FREE R VALUE : NULL *REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL *REMARK 3 FREE R VALUE TEST SET COUNT : NULL *REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL *REMARK 3 *REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. *REMARK 3 TOTAL NUMBER OF BINS USED : NULL *REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL *REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL *REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL *REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL *REMARK 3 BIN R VALUE (WORKING SET) : NULL *REMARK 3 BIN FREE R VALUE : NULL *REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL *REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL *REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL *REMARK 3 *REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. *REMARK 3 PROTEIN ATOMS : 565 *REMARK 3 NUCLEIC ACID ATOMS : 0 *REMARK 3 HETEROGEN ATOMS : 0 *REMARK 3 SOLVENT ATOMS : 109 *REMARK 3 *REMARK 3 B VALUES. *REMARK 3 FROM WILSON PLOT (A**2) : NULL *REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL *REMARK 3 OVERALL ANISOTROPIC B VALUE. *REMARK 3 B11 (A**2) : NULL *REMARK 3 B22 (A**2) : NULL *REMARK 3 B33 (A**2) : NULL *REMARK 3 B12 (A**2) : NULL *REMARK 3 B13 (A**2) : NULL *REMARK 3 B23 (A**2) : NULL *REMARK 3 *REMARK 3 ESTIMATED COORDINATE ERROR. *REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL *REMARK 3 ESD FROM SIGMAA (A) : NULL *REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL *REMARK 3 *REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. *REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL *REMARK 3 ESD FROM C-V SIGMAA (A) : NULL *REMARK 3 *REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. *REMARK 3 BOND LENGTHS (A) : 0.016 *REMARK 3 BOND ANGLES (DEGREES) : 2.30 *REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL *REMARK 3 IMPROPER ANGLES (DEGREES) : 1.70 *REMARK 3 *REMARK 3 ISOTROPIC THERMAL MODEL : NULL *REMARK 3 *REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA *REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL *REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL *REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL *REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL *REMARK 3 *REMARK 3 NCS MODEL : NULL *REMARK 3 *REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT *REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL *REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL *REMARK 3 *REMARK 3 PARAMETER FILE 1 : NULL *REMARK 3 TOPOLOGY FILE 1 : NULL *REMARK 3 *REMARK 3 OTHER REFINEMENT REMARKS: NULL *REMARK 4 *REMARK 4 1CAG COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 *REMARK 4 *REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. *REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-16) *REMARK 200 *REMARK 200 EXPERIMENTAL DETAILS *REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION *REMARK 200 DATE OF DATA COLLECTION : NULL *REMARK 200 TEMPERATURE (KELVIN) : NULL *REMARK 200 PH : NULL *REMARK 200 NUMBER OF CRYSTALS USED : NULL *REMARK 200 *REMARK 200 SYNCHROTRON (Y/N) : NULL *REMARK 200 RADIATION SOURCE : NULL *REMARK 200 BEAMLINE : NULL *REMARK 200 X-RAY GENERATOR MODEL : NULL *REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL *REMARK 200 WAVELENGTH OR RANGE (A) : NULL *REMARK 200 MONOCHROMATOR : NULL *REMARK 200 OPTICS : NULL *REMARK 200 *REMARK 200 DETECTOR TYPE : NULL *REMARK 200 DETECTOR MANUFACTURER : NULL *REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL *REMARK 200 DATA SCALING SOFTWARE : NULL *REMARK 200 *REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL *REMARK 200 RESOLUTION RANGE HIGH (A) : NULL *REMARK 200 RESOLUTION RANGE LOW (A) : NULL *REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL *REMARK 200 *REMARK 200 OVERALL. *REMARK 200 COMPLETENESS FOR RANGE (%) : NULL *REMARK 200 DATA REDUNDANCY : NULL *REMARK 200 R MERGE (I) : NULL *REMARK 200 R SYM (I) : NULL *REMARK 200 FOR THE DATA SET : NULL *REMARK 200 *REMARK 200 IN THE HIGHEST RESOLUTION SHELL. *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL *REMARK 200 COMPLETENESS FOR SHELL (%) : NULL *REMARK 200 DATA REDUNDANCY IN SHELL : NULL *REMARK 200 R MERGE FOR SHELL (I) : NULL *REMARK 200 R SYM FOR SHELL (I) : NULL *REMARK 200 FOR SHELL : NULL *REMARK 200 *REMARK 200 DIFFRACTION PROTOCOL: NULL *REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL *REMARK 200 SOFTWARE USED: X-PLOR *REMARK 200 STARTING MODEL: NULL *REMARK 200 *REMARK 200 REMARK: NULL *REMARK 280 *REMARK 280 CRYSTAL *REMARK 280 SOLVENT CONTENT, VS (%): 34.73 *REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.88 *REMARK 280 *REMARK 280 CRYSTALLIZATION CONDITIONS: NULL *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY *REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 *REMARK 290 *REMARK 290 SYMOP SYMMETRY *REMARK 290 NNNMMM OPERATOR *REMARK 290 1555 X,Y,Z *REMARK 290 2555 -X,Y,-Z *REMARK 290 3555 1/2+X,1/2+Y,Z *REMARK 290 4555 1/2-X,1/2+Y,-Z *REMARK 290 *REMARK 290 WHERE NNN -> OPERATOR NUMBER *REMARK 290 MMM -> TRANSLATION VECTOR *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS *REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM *REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY *REMARK 290 RELATED MOLECULES. *REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 *REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 *REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 86.73000 *REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 7.02850 *REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 *REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 86.73000 *REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 7.02850 *REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 *REMARK 290 *REMARK 290 REMARK: NULL *REMARK 300 *REMARK 300 BIOMOLECULE: 1 *REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT *REMARK 300 WHICH CONSISTS OF 3 CHAIN(S). SEE REMARK 350 FOR *REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). *REMARK 350 *REMARK 350 GENERATING THE BIOMOLECULE *REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN *REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE *REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS *REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND *REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. *REMARK 350 *REMARK 350 BIOMOLECULE: 1 *REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C *REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 *REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 *REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 *REMARK 465 *REMARK 465 MISSING RESIDUES *REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE *REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN *REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) *REMARK 465 *REMARK 465 M RES C SSSEQI *REMARK 465 GLY A 30 *REMARK 465 GLY C 90 *REMARK 525 *REMARK 525 SOLVENT *REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED *REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE *REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL *REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE *REMARK 525 NUMBER; I=INSERTION CODE): *REMARK 525 *REMARK 525 M RES CSSEQI *REMARK 525 HOH 178 DISTANCE = 5.78 ANGSTROMS *REMARK 525 HOH 183 DISTANCE = 5.20 ANGSTROMS *SEQRES 1 A 30 PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO *SEQRES 2 A 30 HYP ALA PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO HYP *SEQRES 3 A 30 GLY PRO HYP GLY *SEQRES 1 B 30 PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO *SEQRES 2 B 30 HYP ALA PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO HYP *SEQRES 3 B 30 GLY PRO HYP GLY *SEQRES 1 C 30 PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO *SEQRES 2 C 30 HYP ALA PRO HYP GLY PRO HYP GLY PRO HYP GLY PRO HYP *SEQRES 3 C 30 GLY PRO HYP GLY *MODRES 1CAG HYP A 2 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP A 5 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP A 8 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP A 11 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP A 14 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP A 17 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP A 20 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP A 23 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP A 26 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP A 29 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 32 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 35 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 38 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 41 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 44 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 47 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 50 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 53 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 56 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP B 59 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 62 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 65 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 68 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 71 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 74 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 77 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 80 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 83 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 86 PRO 4-HYDROXYPROLINE *MODRES 1CAG HYP C 89 PRO 4-HYDROXYPROLINE *FTNOTE 1 CIS HYDROXYPROLINE - HYP B 32 *FTNOTE 2 CIS HYDROXYPROLINE - HYP C 62 *HET HYP A 2 8 *HET HYP A 5 8 *HET HYP A 8 8 *HET HYP A 11 8 *HET HYP A 14 8 *HET HYP A 17 8 *HET HYP A 20 8 *HET HYP A 23 8 *HET HYP A 26 8 *HET HYP A 29 8 *HET HYP B 32 8 *HET HYP B 35 8 *HET HYP B 38 8 *HET HYP B 41 8 *HET HYP B 44 8 *HET HYP B 47 8 *HET HYP B 50 8 *HET HYP B 53 8 *HET HYP B 56 8 *HET HYP B 59 8 *HET HYP C 62 8 *HET HYP C 65 8 *HET HYP C 68 8 *HET HYP C 71 8 *HET HYP C 74 8 *HET HYP C 77 8 *HET HYP C 80 8 *HET HYP C 83 8 *HET HYP C 86 8 *HET HYP C 89 8 *HET ACY 201 4 *HET ACY 202 4 *HET ACY 203 4 *HET ACY 204 4 *HET ACY 205 4 *HET ACY 206 4 *HETNAM HYP 4-HYDROXYPROLINE *HETNAM ACY ACETIC ACID *HETSYN HYP HYDROXYPROLINE *FORMUL 1 HYP 30(C5 H9 N O3) *FORMUL 4 ACY 6(C2 H4 O2) *FORMUL 10 HOH *85(H2 O) *HELIX 1 H1 PRO A 1 HYP A 29 10COILED-COIL IN TRIPLE HELIX 29 *HELIX 2 H2 GLY B 33 GLY B 60 10COILED-COIL IN TRIPLE HELIX 28 *HELIX 3 H3 GLY C 63 HYP C 89 10COILED-COIL IN TRIPLE HELIX 27 *CISPEP 1 PRO B 31 HYP B 32 0 1.33 *CISPEP 2 PRO C 61 HYP C 62 0 -0.17 *CRYST1 173.460 14.057 25.308 90.00 95.82 90.00 C 1 2 1 12 *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 0.005765 0.000000 0.000588 0.00000 *SCALE2 0.000000 0.071139 0.000000 0.00000 *SCALE3 0.000000 0.000000 0.039718 0.00000 CUTOFF=5 XENO(0,0,1,0,HYDROXYPROLINE) START_RES(1 31 61 201) SETUP LET NOOPT OPT-H PM6 LET GNORM=5 PDBOUT PL MOZYME NOOPT OPT-H 1CAG N( 1 PRO* 1) 3.42800000 +0 3.10200000 +0 7.94800000 +0 -0.4141 C( 2 PRO* 1) 4.71500000 +0 3.66400000 +0 8.50300000 +0 -0.1050 C( 3 PRO* 1) 5.88600000 +0 2.83600000 +0 7.96900000 +0 0.5759 O( 4 PRO* 1) 5.79500000 +0 1.60000000 +0 7.93500000 +0 -0.6502 C( 5 PRO 1) 4.65200000 +0 3.58300000 +0 10.03900000 +0 -0.3082 C( 6 PRO 1) 3.59400000 +0 2.54700000 +0 10.28800000 +0 -0.2587 C( 7 PRO 1) 2.61300000 +0 2.73200000 +0 9.14300000 +0 -0.1607 N( 8 PRO* 2) 6.97400000 +0 3.50200000 +0 7.51000000 +0 -0.3897 C( 9 PRO* 2) 8.24900000 +0 2.95200000 +0 6.95900000 +0 -0.0430 C( 10 PRO* 2) 9.01000000 +0 2.00600000 +0 7.89500000 +0 0.5355 O( 11 PRO* 2) 9.10200000 +0 2.24000000 +0 9.09200000 +0 -0.6000 C( 12 PRO 2) 9.12300000 +0 4.18400000 +0 6.62300000 +0 -0.3685 C( 13 PRO 2) 8.26500000 +0 5.44000000 +0 6.84100000 +0 0.2196 C( 14 PRO 2) 6.93300000 +0 4.97500000 +0 7.44200000 +0 -0.1642 O( 15 PRO 2) 8.05300000 +0 6.08500000 +0 5.57700000 +0 -0.6074 N( 16 GLY* 3) 9.56400000 +0 0.95400000 +0 7.32200000 +0 -0.3805 C( 17 GLY* 3) 10.27100000 +0 -0.01000000 +0 8.13300000 +0 -0.2255 C( 18 GLY* 3) 11.58200000 +0 0.51600000 +0 8.69200000 +0 0.5840 O( 19 GLY* 3) 11.98200000 +0 1.65900000 +0 8.42900000 +0 -0.6439 N( 20 PRO* 4) 12.28000000 +0 -0.32500000 +0 9.48000000 +0 -0.3455 C( 21 PRO* 4) 13.55200000 +0 -0.11600000 +0 10.17100000 +0 -0.0471 C( 22 PRO* 4) 14.67600000 +0 0.30400000 +0 9.24300000 +0 0.6091 O( 23 PRO* 4) 14.58500000 +0 0.10600000 +0 7.99200000 +0 -0.6583 C( 24 PRO 4) 13.83500000 +0 -1.46900000 +0 10.83500000 +0 -0.2974 C( 25 PRO 4) 12.51300000 +0 -2.16800000 +0 10.90300000 +0 -0.2788 C( 26 PRO 4) 11.81000000 +0 -1.71600000 +0 9.65600000 +0 -0.1384 N( 27 PRO* 5) 15.73900000 +0 0.90800000 +0 9.82800000 +0 -0.3434 C( 28 PRO* 5) 16.93300100 +0 1.35200000 +0 9.09100000 +0 0.0092 C( 29 PRO* 5) 17.54700100 +0 0.11700000 +0 8.47800000 +0 0.5624 O( 30 PRO* 5) 17.37700100 +0 -0.97700000 +0 9.03900000 +0 -0.6633 C( 31 PRO 5) 17.83499900 +0 1.91100000 +0 10.15200000 +0 -0.3886 C( 32 PRO 5) 16.91600000 +0 2.37100000 +0 11.26200000 +0 0.2431 C( 33 PRO 5) 15.85200000 +0 1.27700000 +0 11.25000000 +0 -0.1917 O( 34 PRO 5) 16.40200000 +0 3.66500000 +0 10.87600000 +0 -0.5813 N( 35 GLY* 6) 18.23399900 +0 0.31700000 +0 7.35400000 +0 -0.3882 C( 36 GLY* 6) 18.91300000 +0 -0.75100000 +0 6.65000000 +0 -0.3064 C( 37 GLY* 6) 20.15000000 +0 -1.22200000 +0 7.36000000 +0 0.6119 O( 38 GLY* 6) 20.64600000 +0 -0.51900000 +0 8.23800000 +0 -0.6762 N( 39 PRO* 7) 20.71100000 +0 -2.38200000 +0 6.99700000 +0 -0.3490 C( 40 PRO* 7) 21.89600000 +0 -2.78100000 +0 7.76800000 +0 -0.0382 C( 41 PRO* 7) 23.16300000 +0 -1.93300000 +0 7.52400000 +0 0.6209 O( 42 PRO* 7) 23.16400000 +0 -1.01200000 +0 6.63700000 +0 -0.6689 C( 43 PRO 7) 22.04000100 +0 -4.25600000 +0 7.43100000 +0 -0.2960 C( 44 PRO 7) 21.60100000 +0 -4.26700000 +0 6.01000000 +0 -0.2835 C( 45 PRO 7) 20.39600000 +0 -3.37000000 +0 5.95600000 +0 -0.0834 N( 46 PRO* 8) 24.23800100 +0 -2.16700000 +0 8.35000000 +0 -0.3951 C( 47 PRO* 8) 25.47800100 +0 -1.40500000 +0 8.19900000 +0 -0.0297 C( 48 PRO* 8) 25.97699900 +0 -1.64600000 +0 6.82400000 +0 0.5960 O( 49 PRO* 8) 25.76600100 +0 -2.76900000 +0 6.31900000 +0 -0.6653 C( 50 PRO 8) 26.41000000 +0 -1.97700000 +0 9.26400000 +0 -0.3705 C( 51 PRO 8) 25.45700100 +0 -2.45900000 +0 10.35500000 +0 0.2134 C( 52 PRO 8) 24.32900000 +0 -3.06600000 +0 9.51700000 +0 -0.1237 O( 53 PRO 8) 24.95000100 +0 -1.35800000 +0 11.14500000 +0 -0.5649 N( 54 GLY* 9) 26.61000100 +0 -0.62300000 +0 6.23200000 +0 -0.4018 C( 55 GLY* 9) 27.17700000 +0 -0.75500000 +0 4.90400000 +0 -0.2526 C( 56 GLY* 9) 28.45100000 +0 -1.60800000 +0 4.97300000 +0 0.5957 O( 57 GLY* 9) 28.94300100 +0 -1.94500000 +0 6.05600000 +0 -0.6760 N( 58 PRO* 10) 29.01600100 +0 -1.98600000 +0 3.83500000 +0 -0.3258 C( 59 PRO* 10) 30.23600000 +0 -2.79500000 +0 3.92600000 +0 -0.0640 C( 60 PRO* 10) 31.52000000 +0 -2.10500000 +0 4.37500000 +0 0.6013 O( 61 PRO* 10) 31.62800000 +0 -0.87600000 +0 4.40700000 +0 -0.6079 C( 62 PRO 10) 30.37900000 +0 -3.35600000 +0 2.52700000 +0 -0.3126 C( 63 PRO 10) 29.86000100 +0 -2.22000000 +0 1.69400000 +0 -0.2532 C( 64 PRO 10) 28.62900000 +0 -1.76700000 +0 2.43300000 +0 -0.1014 N( 65 PRO* 11) 32.50500100 +0 -2.92300000 +0 4.76200000 +0 -0.3758 C( 66 PRO* 11) 33.83599900 +0 -2.45500000 +0 5.12500000 +0 -0.0114 C( 67 PRO* 11) 34.32000000 +0 -1.26600000 +0 4.26600000 +0 0.5628 O( 68 PRO* 11) 34.03900100 +0 -1.18000000 +0 3.07200000 +0 -0.6122 C( 69 PRO 11) 34.69800200 +0 -3.68000000 +0 4.87500000 +0 -0.3798 C( 70 PRO 11) 33.82300200 +0 -4.85500000 +0 5.29100000 +0 0.1967 C( 71 PRO 11) 32.39799900 +0 -4.37800000 +0 4.97000000 +0 -0.1515 O( 72 PRO 11) 34.03599900 +0 -5.06400000 +0 6.71200000 +0 -0.6269 N( 73 GLY* 12) 35.05899800 +0 -0.37300000 +0 4.88100000 +0 -0.3869 C( 74 GLY* 12) 35.66600000 +0 0.66700000 +0 4.10200000 +0 -0.2262 C( 75 GLY* 12) 36.81700100 +0 0.20000000 +0 3.24500000 +0 0.5627 O( 76 GLY* 12) 37.22499800 +0 -0.98100000 +0 3.17700000 +0 -0.6359 N( 77 PRO* 13) 37.41500100 +0 1.17100000 +0 2.57000000 +0 -0.3774 C( 78 PRO* 13) 38.54800000 +0 0.92900000 +0 1.68200000 +0 -0.0590 C( 79 PRO* 13) 39.73300200 +0 0.35500000 +0 2.44400000 +0 0.5208 O( 80 PRO* 13) 39.94100200 +0 0.67200000 +0 3.61900000 +0 -0.6324 C( 81 PRO 13) 38.84500100 +0 2.30000000 +0 1.10100000 +0 -0.2497 C( 82 PRO 13) 37.63800000 +0 3.11400000 +0 1.42000000 +0 -0.3039 C( 83 PRO 13) 37.10300100 +0 2.59400000 +0 2.68500000 +0 -0.0867 N( 84 PRO* 14) 40.49900100 +0 -0.54200000 +0 1.81500000 +0 -0.3444 C( 85 PRO* 14) 41.69599900 +0 -1.09300000 +0 2.49900000 +0 -0.0352 C( 86 PRO* 14) 42.60100200 +0 0.01900000 +0 3.05400000 +0 0.5585 O( 87 PRO* 14) 42.92200100 +0 0.99800000 +0 2.39200000 +0 -0.6381 C( 88 PRO 14) 42.33300000 +0 -1.95900000 +0 1.42000000 +0 -0.3762 C( 89 PRO 14) 41.13900000 +0 -2.45000000 +0 0.60100000 +0 0.2151 C( 90 PRO 14) 40.25099900 +0 -1.23400000 +0 0.54800000 +0 -0.1926 O( 91 PRO 14) 40.40599800 +0 -3.51600000 +0 1.24700000 +0 -0.5645 N( 92 ALA* 15) 42.95900000 +0 -0.14600000 +0 4.32300000 +0 -0.4512 C( 93 ALA* 15) 43.84600100 +0 0.76600000 +0 5.06700000 +0 0.0404 C( 94 ALA* 15) 45.17699800 +0 0.73600000 +0 4.28800000 +0 0.5807 O( 95 ALA* 15) 45.73199800 +0 -0.34500000 +0 4.00300000 +0 -0.6541 C( 96 ALA 15) 44.02800000 +0 0.22500000 +0 6.43900000 +0 -0.5413 N( 97 PRO* 16) 45.74200100 +0 1.90500000 +0 3.97500000 +0 -0.3287 C( 98 PRO* 16) 46.95200000 +0 1.81000000 +0 3.16800000 +0 -0.0918 C( 99 PRO* 16) 48.12699900 +0 1.12700000 +0 3.83500000 +0 0.6137 O( 100 PRO* 16) 48.08499900 +0 0.82900000 +0 5.00800000 +0 -0.6285 C( 101 PRO 16) 47.21500000 +0 3.28300000 +0 2.76300000 +0 -0.2292 C( 102 PRO 16) 46.70500200 +0 4.03700000 +0 3.92400000 +0 -0.2821 C( 103 PRO 16) 45.46600000 +0 3.29900000 +0 4.38200000 +0 -0.0811 N( 104 PRO* 17) 49.17900100 +0 0.81500000 +0 3.06800000 +0 -0.3748 C( 105 PRO* 17) 50.39199800 +0 0.20500000 +0 3.63500000 +0 -0.0278 C( 106 PRO* 17) 51.09899900 +0 1.27000000 +0 4.44800000 +0 0.5647 O( 107 PRO* 17) 50.87200200 +0 2.47500000 +0 4.22000000 +0 -0.6427 C( 108 PRO 17) 51.20999900 +0 -0.22000000 +0 2.43800000 +0 -0.3852 C( 109 PRO 17) 50.30899800 +0 -0.04000000 +0 1.21300000 +0 0.2103 C( 110 PRO 17) 49.24599800 +0 0.96400000 +0 1.61500000 +0 -0.1559 O( 111 PRO 17) 49.67800100 +0 -1.28400000 +0 0.86300000 +0 -0.5924 N( 112 GLY* 18) 51.94200100 +0 0.87500000 +0 5.39200000 +0 -0.3883 C( 113 GLY* 18) 52.60900100 +0 1.90000000 +0 6.16600000 +0 -0.2213 C( 114 GLY* 18) 53.69900100 +0 2.75900000 +0 5.52200000 +0 0.5634 O( 115 GLY* 18) 54.05199800 +0 2.61900000 +0 4.31100000 +0 -0.6287 N( 116 PRO* 19) 54.24100100 +0 3.69400000 +0 6.33400000 +0 -0.3468 C( 117 PRO* 19) 55.32199900 +0 4.54600000 +0 5.85600000 +0 -0.0498 C( 118 PRO* 19) 56.59199900 +0 3.64900000 +0 5.71600000 +0 0.6102 O( 119 PRO* 19) 56.68100000 +0 2.55400000 +0 6.31500000 +0 -0.6630 C( 120 PRO 19) 55.45999900 +0 5.62700000 +0 6.91800000 +0 -0.2794 C( 121 PRO 19) 54.38100100 +0 5.39300000 +0 7.93900000 +0 -0.2803 C( 122 PRO 19) 53.85100200 +0 4.00200000 +0 7.72500000 +0 -0.1050 N( 123 PRO* 20) 57.56700100 +0 4.07300000 +0 4.88400000 +0 -0.3544 C( 124 PRO* 20) 58.77899900 +0 3.26900000 +0 4.70400000 +0 -0.0142 C( 125 PRO* 20) 59.44300100 +0 3.02700000 +0 6.09000000 +0 0.5598 O( 126 PRO* 20) 59.21699900 +0 3.79700000 +0 7.03200000 +0 -0.6118 C( 127 PRO 20) 59.64500000 +0 4.13200000 +0 3.83200000 +0 -0.3861 C( 128 PRO 20) 58.67800100 +0 5.05600000 +0 3.11100000 +0 0.2232 C( 129 PRO 20) 57.65300000 +0 5.35500000 +0 4.16700000 +0 -0.1562 O( 130 PRO 20) 58.03400000 +0 4.38600000 +0 2.06800000 +0 -0.5916 N( 131 GLY* 21) 60.25000000 +0 1.97000000 +0 6.18400000 +0 -0.4217 C( 132 GLY* 21) 60.98899800 +0 1.75700000 +0 7.39000000 +0 -0.2261 C( 133 GLY* 21) 62.10200100 +0 2.77800000 +0 7.51600000 +0 0.5960 O( 134 GLY* 21) 62.26699800 +0 3.67500000 +0 6.68100000 +0 -0.6728 N( 135 PRO* 22) 62.93700000 +0 2.62600000 +0 8.54700000 +0 -0.3558 C( 136 PRO* 22) 64.05100300 +0 3.53500000 +0 8.78800000 +0 -0.0500 C( 137 PRO* 22) 65.26799800 +0 3.10500000 +0 7.98100000 +0 0.6175 O( 138 PRO* 22) 65.29699700 +0 2.01600000 +0 7.39400000 +0 -0.6694 C( 139 PRO 22) 64.27100400 +0 3.43800000 +0 10.29400000 +0 -0.2700 C( 140 PRO 22) 63.78300100 +0 2.05900000 +0 10.66000000 +0 -0.2763 C( 141 PRO 22) 62.94100200 +0 1.50700000 +0 9.51700000 +0 -0.1011 N( 142 PRO* 23) 66.28500400 +0 3.96100000 +0 7.95200000 +0 -0.3460 C( 143 PRO* 23) 67.54499800 +0 3.69500000 +0 7.25400000 +0 0.0085 C( 144 PRO* 23) 68.10199700 +0 2.42200000 +0 7.88900000 +0 0.5610 O( 145 PRO* 23) 67.75900300 +0 2.09200000 +0 9.04800000 +0 -0.6592 C( 146 PRO 23) 68.39900200 +0 4.90700000 +0 7.57800000 +0 -0.3820 C( 147 PRO 23) 67.36399800 +0 5.97100000 +0 7.92200000 +0 0.2238 C( 148 PRO 23) 66.35600300 +0 5.20500000 +0 8.72900000 +0 -0.1572 O( 149 PRO 23) 66.72399900 +0 6.37000000 +0 6.78500000 +0 -0.5821 N( 150 GLY* 24) 68.92900100 +0 1.71400000 +0 7.13900000 +0 -0.4044 C( 151 GLY* 24) 69.58000200 +0 0.55100000 +0 7.69700000 +0 -0.2440 C( 152 GLY* 24) 70.75099900 +0 0.88500000 +0 8.61000000 +0 0.5920 O( 153 GLY* 24) 71.06400300 +0 2.07600000 +0 8.92700000 +0 -0.7214 N( 154 PRO* 25) 71.42500300 +0 -0.15600000 +0 9.07800000 +0 -0.2999 C( 155 PRO* 25) 72.59100300 +0 0.02500000 +0 9.96000000 +0 -0.0279 C( 156 PRO* 25) 73.86200000 +0 0.33200000 +0 9.13500000 +0 0.5962 O( 157 PRO* 25) 73.89700300 +0 -0.04500000 +0 7.95000000 +0 -0.6463 C( 158 PRO 25) 72.67600300 +0 -1.30600000 +0 10.68600000 +0 -0.2957 C( 159 PRO 25) 72.14499700 +0 -2.27500000 +0 9.69900000 +0 -0.2565 C( 160 PRO 25) 71.09300200 +0 -1.57600000 +0 8.88500000 +0 -0.1323 N( 161 PRO* 26) 74.88600200 +0 1.04100000 +0 9.71300000 +0 -0.3833 C( 162 PRO* 26) 76.14099900 +0 1.31600000 +0 8.98200000 +0 -0.0347 C( 163 PRO* 26) 76.76000200 +0 0.11900000 +0 8.29200000 +0 0.5697 O( 164 PRO* 26) 76.55999800 +0 -1.05500000 +0 8.69900000 +0 -0.6318 C( 165 PRO 26) 77.07099900 +0 1.87300000 +0 10.03600000 +0 -0.4103 C( 166 PRO 26) 76.13999900 +0 2.62900000 +0 10.96500000 +0 0.2204 C( 167 PRO 26) 74.86299900 +0 1.78500000 +0 10.98700000 +0 -0.1847 O( 168 PRO 26) 75.94200100 +0 3.91000000 +0 10.36900000 +0 -0.5897 N( 169 GLY* 27) 77.52200300 +0 0.42200000 +0 7.25100000 +0 -0.3802 C( 170 GLY* 27) 78.15200000 +0 -0.62600000 +0 6.48000000 +0 -0.2374 C( 171 GLY* 27) 79.43699600 +0 -1.08400000 +0 7.11100000 +0 0.5990 O( 172 GLY* 27) 79.88999900 +0 -0.49700000 +0 8.08100000 +0 -0.6412 N( 173 PRO* 28) 80.05500000 +0 -2.13800000 +0 6.57200000 +0 -0.3982 C( 174 PRO* 28) 81.32000000 +0 -2.68500000 +0 7.06600000 +0 -0.0331 C( 175 PRO* 28) 82.30400100 +0 -1.52700000 +0 7.25000000 +0 0.5902 O( 176 PRO* 28) 82.26100200 +0 -0.57900000 +0 6.47600000 +0 -0.5954 C( 177 PRO 28) 81.75000000 +0 -3.62200000 +0 5.95600000 +0 -0.2907 C( 178 PRO 28) 80.47100100 +0 -4.07100000 +0 5.33600000 +0 -0.2763 C( 179 PRO 28) 79.58100100 +0 -2.86100000 +0 5.37300000 +0 -0.0919 N( 180 PRO* 29) 83.19400000 +0 -1.59500000 +0 8.26200000 +0 -0.3940 C( 181 PRO 29) 84.23000300 +0 -0.59300000 +0 8.60900000 +0 -0.0066 C( 182 PRO 29) 85.23100300 +0 -0.30400000 +0 7.46700000 +0 0.3513 O( 183 PRO 29) 86.09600100 +0 -1.13200000 +0 7.11100000 +0 -0.4626 C( 184 PRO 29) 84.90100100 +0 -1.20200000 +0 9.82900000 +0 -0.3833 C( 185 PRO* 29) 84.76200100 +0 -2.69100000 +0 9.53200000 +0 0.1986 C( 186 PRO* 29) 83.29100000 +0 -2.76300000 +0 9.15400000 +0 -0.1634 O( 187+PRO* 29) 85.01999700 +0 -3.47900000 +0 10.70900000 +0 -0.5611 N( 188 PRO* 31) 1.39400000 +0 -2.73100000 +0 1.98700000 +0 -0.4304 C( 189 PRO* 31) 1.69200000 +0 -3.28300000 +0 3.34100000 +0 -0.1136 C( 190 PRO* 31) 2.74400000 +0 -4.35200000 +0 3.11500000 +0 0.5304 O( 191 PRO* 31) 2.58000000 +0 -5.19700000 +0 2.21100000 +0 -0.5734 C( 192 PRO 31) 0.41700000 +0 -3.89300000 +0 3.95300000 +0 -0.2551 C( 193 PRO 31) -0.45300000 +0 -4.17100000 +0 2.75100000 +0 -0.2844 C( 194 PRO 31) 0.02300000 +0 -3.25500000 +0 1.64100000 +0 -0.1148 N( 195 PRO* 32) 3.82700000 +0 -4.36300000 +0 3.94100000 +0 -0.4187 C( 196 PRO* 32) 4.22100000 +0 -3.52500000 +0 5.10000000 +0 0.0005 C( 197 PRO* 32) 3.95000000 +0 -1.97000000 +0 5.05900000 +0 0.5030 O( 198 PRO* 32) 2.97000000 +0 -1.49800000 +0 5.65200000 +0 -0.5734 C( 199 PRO 32) 5.70600000 +0 -3.86700000 +0 5.28700000 +0 -0.4168 C( 200 PRO 32) 5.88700000 +0 -5.28600000 +0 4.76100000 +0 0.2117 C( 201 PRO 32) 4.90600000 +0 -5.32700000 +0 3.59400000 +0 -0.2075 O( 202 PRO 32) 5.50400000 +0 -6.24900000 +0 5.74300000 +0 -0.5550 N( 203 GLY* 33) 4.80800000 +0 -1.21000000 +0 4.37800000 +0 -0.3987 C( 204 GLY* 33) 4.65800000 +0 0.23200000 +0 4.21500000 +0 -0.2534 C( 205 GLY* 33) 5.78100000 +0 0.65800000 +0 3.27300000 +0 0.5698 O( 206 GLY* 33) 6.18000000 +0 -0.11800000 +0 2.41300000 +0 -0.6410 N( 207 PRO* 34) 6.27400000 +0 1.90000000 +0 3.37300000 +0 -0.3394 C( 208 PRO* 34) 7.40400000 +0 2.28100000 +0 2.52500000 +0 -0.0352 C( 209 PRO* 34) 8.68400000 +0 1.71100000 +0 3.18900000 +0 0.5901 O( 210 PRO* 34) 8.75100000 +0 1.47900000 +0 4.42200000 +0 -0.6926 C( 211 PRO 34) 7.38100000 +0 3.82300000 +0 2.52900000 +0 -0.3081 C( 212 PRO 34) 6.10900000 +0 4.19500000 +0 3.20200000 +0 -0.2787 C( 213 PRO 34) 5.78700000 +0 3.05700000 +0 4.14100000 +0 -0.0800 N( 214 PRO* 35) 9.70600000 +0 1.44500000 +0 2.37700000 +0 -0.3401 C( 215 PRO* 35) 10.97600000 +0 0.93500000 +0 2.90500000 +0 -0.0233 C( 216 PRO* 35) 11.63400000 +0 1.97500000 +0 3.82900000 +0 0.5701 O( 217 PRO* 35) 11.49000000 +0 3.21700000 +0 3.62100000 +0 -0.6686 C( 218 PRO 35) 11.79700000 +0 0.68500000 +0 1.65600000 +0 -0.3913 C( 219 PRO 35) 10.73800000 +0 0.45400000 +0 0.59100000 +0 0.2168 C( 220 PRO 35) 9.72900000 +0 1.53900000 +0 0.90400000 +0 -0.1563 O( 221 PRO 35) 10.12800000 +0 -0.76600000 +0 0.83200000 +0 -0.5574 N( 222 GLY* 36) 12.32900000 +0 1.47900000 +0 4.84600000 +0 -0.3701 C( 223 GLY* 36) 13.08500000 +0 2.38400000 +0 5.71800000 +0 -0.2170 C( 224 GLY* 36) 14.31600000 +0 3.05700000 +0 5.07600000 +0 0.5534 O( 225 GLY* 36) 14.67000000 +0 2.78300000 +0 3.93100000 +0 -0.5959 N( 226 PRO* 37) 14.99000000 +0 3.95500000 +0 5.82300000 +0 -0.3619 C( 227 PRO* 37) 16.17900100 +0 4.65400000 +0 5.36600000 +0 -0.0389 C( 228 PRO* 37) 17.37000100 +0 3.69500000 +0 5.17400000 +0 0.5884 O( 229 PRO* 37) 17.41500100 +0 2.59800000 +0 5.73200000 +0 -0.6424 C( 230 PRO 37) 16.45500000 +0 5.66700000 +0 6.48200000 +0 -0.2776 C( 231 PRO 37) 15.15500000 +0 5.80100000 +0 7.18300000 +0 -0.2816 C( 232 PRO 37) 14.64200000 +0 4.39700000 +0 7.18500000 +0 -0.0632 N( 233 PRO* 38) 18.35199900 +0 4.11600000 +0 4.38600000 +0 -0.3340 C( 234 PRO* 38) 19.51100000 +0 3.25900000 +0 4.19300000 +0 -0.0393 C( 235 PRO* 38) 20.14900000 +0 3.03800000 +0 5.54400000 +0 0.5566 O( 236 PRO* 38) 19.88299900 +0 3.76700000 +0 6.49900000 +0 -0.6320 C( 237 PRO 38) 20.37999900 +0 4.06000000 +0 3.22900000 +0 -0.3743 C( 238 PRO 38) 19.35899900 +0 4.91600000 +0 2.47200000 +0 0.2315 C( 239 PRO 38) 18.47500000 +0 5.36100000 +0 3.62100000 +0 -0.1688 O( 240 PRO 38) 18.55900000 +0 4.14700000 +0 1.57200000 +0 -0.5625 N( 241 GLY* 39) 20.98000000 +0 2.01100000 +0 5.61300000 +0 -0.4102 C( 242 GLY* 39) 21.73700000 +0 1.74100000 +0 6.81100000 +0 -0.2442 C( 243 GLY* 39) 22.88200000 +0 2.68500000 +0 7.08000000 +0 0.5923 O( 244 GLY* 39) 23.20299900 +0 3.55100000 +0 6.28700000 +0 -0.6973 N( 245 PRO* 40) 23.54000100 +0 2.51800000 +0 8.22000000 +0 -0.3505 C( 246 PRO* 40) 24.66700000 +0 3.35600000 +0 8.65300000 +0 -0.0318 C( 247 PRO* 40) 25.95700100 +0 3.04700000 +0 7.86400000 +0 0.5806 O( 248 PRO* 40) 26.04500000 +0 1.99900000 +0 7.23100000 +0 -0.6333 C( 249 PRO 40) 24.78500000 +0 3.04500000 +0 10.15000000 +0 -0.2168 C( 250 PRO 40) 23.71200000 +0 2.03900000 +0 10.45500000 +0 -0.3210 C( 251 PRO 40) 23.23900000 +0 1.44300000 +0 9.16700000 +0 -0.0877 N( 252 PRO* 41) 26.95800000 +0 3.94800000 +0 7.89900000 +0 -0.3814 C( 253 PRO* 41) 28.21100000 +0 3.69800000 +0 7.18100000 +0 -0.0426 C( 254 PRO* 41) 28.85899900 +0 2.43900000 +0 7.72600000 +0 0.5713 O( 255 PRO* 41) 28.80500000 +0 2.19800000 +0 8.95000000 +0 -0.6408 C( 256 PRO 41) 29.04999900 +0 4.93700000 +0 7.44600000 +0 -0.3656 C( 257 PRO 41) 28.02700000 +0 6.00600000 +0 7.79100000 +0 0.2321 C( 258 PRO 41) 27.02199900 +0 5.22700000 +0 8.62900000 +0 -0.1422 O( 259 PRO 41) 27.44700100 +0 6.45700000 +0 6.57100000 +0 -0.5854 N( 260 GLY* 42) 29.44700100 +0 1.63000000 +0 6.85300000 +0 -0.3992 C( 261 GLY* 42) 30.11700100 +0 0.43600000 +0 7.36100000 +0 -0.2282 C( 262 GLY* 42) 31.26499900 +0 0.72600000 +0 8.34800000 +0 0.5890 O( 263 GLY* 42) 31.50900100 +0 1.89700000 +0 8.73600000 +0 -0.6110 N( 264 PRO* 43) 31.96100000 +0 -0.32400000 +0 8.82200000 +0 -0.4042 C( 265 PRO* 43) 33.12799800 +0 -0.14900000 +0 9.69500000 +0 -0.0108 C( 266 PRO* 43) 34.40800100 +0 0.12500000 +0 8.79900000 +0 0.6043 O( 267 PRO* 43) 34.30699900 +0 0.16400000 +0 7.58500000 +0 -0.6248 C( 268 PRO 43) 33.20200000 +0 -1.47800000 +0 10.40300000 +0 -0.3002 C( 269 PRO 43) 32.74399900 +0 -2.46900000 +0 9.39400000 +0 -0.2708 C( 270 PRO 43) 31.60300100 +0 -1.76100000 +0 8.69500000 +0 -0.0562 N( 271 PRO* 44) 35.59100000 +0 0.37500000 +0 9.40400000 +0 -0.3900 C( 272 PRO* 44) 36.90200000 +0 0.55000000 +0 8.73600000 +0 -0.0058 C( 273 PRO* 44) 37.39799900 +0 -0.88700000 +0 8.28200000 +0 0.5496 O( 274 PRO* 44) 36.92400000 +0 -1.86800000 +0 8.81100000 +0 -0.6434 C( 275 PRO 44) 37.82300200 +0 1.12900000 +0 9.83200000 +0 -0.3673 C( 276 PRO 44) 36.91999800 +0 1.73400000 +0 10.88100000 +0 0.2155 C( 277 PRO 44) 35.66600000 +0 0.85000000 +0 10.80600000 +0 -0.1571 O( 278 PRO 44) 36.63600200 +0 3.10400000 +0 10.52600000 +0 -0.6018 N( 279 ALA* 45) 38.34000000 +0 -0.96800000 +0 7.34400000 +0 -0.4520 C( 280 ALA* 45) 38.92699800 +0 -2.22000000 +0 6.83700000 +0 0.0258 C( 281 ALA* 45) 39.95000100 +0 -2.52900000 +0 7.91400000 +0 0.5639 O( 282 ALA* 45) 40.36600100 +0 -1.62000000 +0 8.56700000 +0 -0.5466 C( 283 ALA 45) 39.62699900 +0 -1.96900000 +0 5.43500000 +0 -0.4666 N( 284 PRO* 46) 40.40100100 +0 -3.79900000 +0 8.09000000 +0 -0.4268 C( 285 PRO* 46) 41.34800000 +0 -4.02800000 +0 9.20400000 +0 -0.0239 C( 286 PRO* 46) 42.69400000 +0 -3.23500000 +0 9.16200000 +0 0.5477 O( 287 PRO* 46) 42.93000000 +0 -2.41100000 +0 8.26200000 +0 -0.6169 C( 288 PRO 46) 41.52199900 +0 -5.57100000 +0 9.22600000 +0 -0.2631 C( 289 PRO 46) 40.56000100 +0 -6.12700000 +0 8.20100000 +0 -0.2721 C( 290 PRO 46) 40.18700000 +0 -5.01300000 +0 7.27200000 +0 -0.0538 N( 291 PRO* 47) 43.55899800 +0 -3.42100000 +0 10.17600000 +0 -0.3794 C( 292 PRO* 47) 44.86100000 +0 -2.76100000 +0 10.23300000 +0 -0.0134 C( 293 PRO* 47) 45.67900100 +0 -3.04900000 +0 8.98700000 +0 0.5526 O( 294 PRO* 47) 45.88200000 +0 -4.22300000 +0 8.63200000 +0 -0.6460 C( 295 PRO 47) 45.50000000 +0 -3.35600000 +0 11.47500000 +0 -0.4207 C( 296 PRO 47) 44.32400100 +0 -3.65500000 +0 12.39300000 +0 0.2552 C( 297 PRO 47) 43.32199900 +0 -4.21200000 +0 11.39600000 +0 -0.1961 O( 298 PRO 47) 43.85500000 +0 -2.44300000 +0 12.96000000 +0 -0.5622 N( 299 GLY* 48) 46.15100100 +0 -1.97600000 +0 8.34600000 +0 -0.3693 C( 300 GLY* 48) 46.98799900 +0 -2.04900000 +0 7.14200000 +0 -0.2860 C( 301 GLY* 48) 48.36899900 +0 -2.73400000 +0 7.19000000 +0 0.6071 O( 302 GLY* 48) 48.96099900 +0 -2.88600000 +0 8.28000000 +0 -0.6695 N( 303 PRO* 49) 48.90700100 +0 -3.17400000 +0 6.02000000 +0 -0.3560 C( 304 PRO* 49) 50.20600100 +0 -3.85700000 +0 5.93300000 +0 -0.0353 C( 305 PRO* 49) 51.37699900 +0 -2.95400000 +0 6.22400000 +0 0.6097 O( 306 PRO* 49) 51.29999900 +0 -1.75400000 +0 6.06800000 +0 -0.6468 C( 307 PRO 49) 50.20800000 +0 -4.42600000 +0 4.51600000 +0 -0.2645 C( 308 PRO 49) 49.39500000 +0 -3.44800000 +0 3.73800000 +0 -0.2989 C( 309 PRO 49) 48.28699900 +0 -3.04800000 +0 4.68400000 +0 -0.0734 N( 310 PRO* 50) 52.48300200 +0 -3.51000000 +0 6.68300000 +0 -0.3705 C( 311 PRO* 50) 53.53500000 +0 -2.52300000 +0 6.90700000 +0 -0.0648 C( 312 PRO* 50) 54.11000100 +0 -1.92500000 +0 5.61100000 +0 0.5548 O( 313 PRO* 50) 53.97900000 +0 -2.46200000 +0 4.48300000 +0 -0.6297 C( 314 PRO 50) 54.57500100 +0 -3.25500000 +0 7.77500000 +0 -0.3896 C( 315 PRO 50) 54.22399900 +0 -4.74200000 +0 7.73600000 +0 0.2275 C( 316 PRO 50) 52.84500100 +0 -4.86500000 +0 7.11800000 +0 -0.1491 O( 317 PRO 50) 54.21799900 +0 -5.30800000 +0 9.09800000 +0 -0.5886 N( 318 GLY* 51) 54.75000000 +0 -0.78400000 +0 5.75700000 +0 -0.3864 C( 319 GLY* 51) 55.33100100 +0 -0.19900000 +0 4.56300000 +0 -0.2295 C( 320 GLY* 51) 56.50400200 +0 -1.00600000 +0 4.02800000 +0 0.5888 O( 321 GLY* 51) 56.85200100 +0 -2.10200000 +0 4.52200000 +0 -0.6688 N( 322 PRO* 52) 57.14199800 +0 -0.47800000 +0 2.99900000 +0 -0.3323 C( 323 PRO* 52) 58.29900000 +0 -1.09300000 +0 2.32700000 +0 -0.0645 C( 324 PRO* 52) 59.55400100 +0 -0.82900000 +0 3.14400000 +0 0.6317 O( 325 PRO* 52) 59.50099900 +0 -0.09600000 +0 4.12500000 +0 -0.6251 C( 326 PRO 52) 58.30300100 +0 -0.40300000 +0 0.97400000 +0 -0.2794 C( 327 PRO 52) 57.88800000 +0 0.96500000 +0 1.37800000 +0 -0.2451 C( 328 PRO 52) 56.71500000 +0 0.73400000 +0 2.29100000 +0 -0.1283 N( 329 PRO* 53) 60.70100000 +0 -1.44400000 +0 2.75900000 +0 -0.3935 C( 330 PRO* 53) 61.94200100 +0 -1.19100000 +0 3.53700000 +0 -0.0237 C( 331 PRO* 53) 62.42599900 +0 0.24300000 +0 3.54800000 +0 0.5813 O( 332 PRO* 53) 62.17400000 +0 0.95000000 +0 2.61300000 +0 -0.6551 C( 333 PRO 53) 62.97800100 +0 -2.11800000 +0 2.89800000 +0 -0.4168 C( 334 PRO 53) 62.14699900 +0 -3.22900000 +0 2.27900000 +0 0.2367 C( 335 PRO 53) 60.93100000 +0 -2.47700000 +0 1.72300000 +0 -0.1471 O( 336 PRO 53) 61.77299900 +0 -4.11100000 +0 3.32000000 +0 -0.5791 N( 337 GLY* 54) 63.13999900 +0 0.63700000 +0 4.59300000 +0 -0.4094 C( 338 GLY* 54) 63.71099900 +0 1.96900000 +0 4.62900000 +0 -0.2124 C( 339 GLY* 54) 64.90000200 +0 2.05400000 +0 3.68500000 +0 0.5664 O( 340 GLY* 54) 65.30799900 +0 1.06900000 +0 3.06600000 +0 -0.6826 N( 341 PRO* 55) 65.50099900 +0 3.22700000 +0 3.54300000 +0 -0.3302 C( 342 PRO* 55) 66.64800300 +0 3.29600000 +0 2.61000000 +0 -0.0302 C( 343 PRO* 55) 67.95500200 +0 2.63900000 +0 3.24000000 +0 0.5962 O( 344 PRO* 55) 67.96499600 +0 2.16500000 +0 4.38100000 +0 -0.6396 C( 345 PRO 55) 66.75599700 +0 4.79200000 +0 2.32400000 +0 -0.2805 C( 346 PRO 55) 66.28700300 +0 5.42600000 +0 3.60500000 +0 -0.2624 C( 347 PRO 55) 65.22799700 +0 4.51300000 +0 4.21100000 +0 -0.0860 N( 348 PRO* 56) 69.05600000 +0 2.59100000 +0 2.47400000 +0 -0.3626 C( 349 PRO* 56) 70.25900300 +0 1.99100000 +0 3.05600000 +0 -0.0227 C( 350 PRO* 56) 70.80400100 +0 2.72800000 +0 4.27900000 +0 0.5668 O( 351 PRO* 56) 70.48999800 +0 3.92300000 +0 4.50800000 +0 -0.6870 C( 352 PRO 56) 71.25599700 +0 1.95500000 +0 1.89800000 +0 -0.3811 C( 353 PRO 56) 70.39600400 +0 2.08600000 +0 0.65900000 +0 0.2301 C( 354 PRO 56) 69.26000200 +0 3.00000000 +0 1.08300000 +0 -0.1526 O( 355 PRO 56) 69.87000300 +0 0.83400000 +0 0.29600000 +0 -0.5780 N( 356 GLY* 57) 71.60500300 +0 2.00000000 +0 5.05700000 +0 -0.3728 C( 357 GLY* 57) 72.30000300 +0 2.58900000 +0 6.18800000 +0 -0.2217 C( 358 GLY* 57) 73.48200200 +0 3.46300000 +0 5.82000000 +0 0.5795 O( 359 GLY* 57) 73.90100100 +0 3.56300000 +0 4.66000000 +0 -0.6805 N( 360 PRO* 58) 74.03800200 +0 4.13900000 +0 6.81400000 +0 -0.3107 C( 361 PRO* 58) 75.19400000 +0 5.01600000 +0 6.65200000 +0 -0.0452 C( 362 PRO* 58) 76.55200200 +0 4.32100000 +0 6.34500000 +0 0.5727 O( 363 PRO* 58) 76.75900300 +0 3.11000000 +0 6.61500000 +0 -0.6694 C( 364 PRO 58) 75.20500200 +0 5.81800000 +0 7.96000000 +0 -0.3018 C( 365 PRO 58) 73.80899800 +0 5.64200000 +0 8.51700000 +0 -0.2541 C( 366 PRO 58) 73.48000300 +0 4.22900000 +0 8.16900000 +0 -0.1610 N( 367 PRO* 59) 77.49099700 +0 5.09400000 +0 5.75200000 +0 -0.3152 C( 368 PRO* 59) 78.84999800 +0 4.66000000 +0 5.36200000 +0 -0.0467 C( 369 PRO* 59) 79.78399700 +0 4.03000000 +0 6.44900000 +0 0.5559 O( 370 PRO* 59) 79.65499900 +0 4.30600000 +0 7.66100000 +0 -0.5674 C( 371 PRO 59) 79.44500000 +0 5.92600000 +0 4.72500000 +0 -0.3589 C( 372 PRO 59) 78.23300200 +0 6.68800000 +0 4.18000000 +0 0.1940 C( 373 PRO 59) 77.22899600 +0 6.48800000 +0 5.31700000 +0 -0.2008 O( 374 PRO 59) 77.74500300 +0 6.06600000 +0 2.92400000 +0 -0.5759 N( 375 GLY* 60) 80.68299900 +0 3.15800000 +0 5.96300000 +0 -0.4460 C( 376 GLY* 60) 81.68000000 +0 2.48300000 +0 6.77300000 +0 -0.2731 C( 377 GLY* 60) 83.05899800 +0 2.55700000 +0 6.13400000 +0 0.3856 O( 378+GLY* 60) 83.70200300 +0 1.54200000 +0 5.79400000 +0 -0.4828 N( 379 PRO* 61) 2.66900000 +0 -3.24300000 +0 7.81400000 +0 -0.3853 C( 380 PRO* 61) 3.62500000 +0 -2.32500000 +0 8.48000000 +0 -0.0662 C( 381 PRO* 61) 4.26000000 +0 -2.96500000 +0 9.69100000 +0 0.5788 O( 382 PRO* 61) 3.71800000 +0 -3.89200000 +0 10.30500000 +0 -0.5720 C( 383 PRO 61) 2.92600000 +0 -1.05400000 +0 8.92200000 +0 -0.2878 C( 384 PRO 61) 1.56500000 +0 -1.17500000 +0 8.31000000 +0 -0.3072 C( 385 PRO 61) 1.34700000 +0 -2.64700000 +0 8.10100000 +0 -0.1083 N( 386 PRO* 62) 5.44800000 +0 -2.48500000 +0 10.04900000 +0 -0.3817 C( 387 PRO* 62) 6.22000000 +0 -1.39700000 +0 9.39300000 +0 -0.0461 C( 388 PRO* 62) 6.55000000 +0 -1.79100000 +0 7.95800000 +0 0.5671 O( 389 PRO* 62) 6.39800000 +0 -2.97100000 +0 7.61500000 +0 -0.6091 C( 390 PRO 62) 7.46800000 +0 -1.27300000 +0 10.26000000 +0 -0.3353 C( 391 PRO 62) 7.60500000 +0 -2.64600000 +0 10.93800000 +0 0.1891 C( 392 PRO 62) 6.17000000 +0 -3.07200000 +0 11.18600000 +0 -0.1784 O( 393 PRO 62) 8.21400000 +0 -2.53100000 +0 12.20300000 +0 -0.5978 N( 394 GLY* 63) 6.96900000 +0 -0.83100000 +0 7.13700000 +0 -0.3829 C( 395 GLY* 63) 7.43000000 +0 -1.15600000 +0 5.80500000 +0 -0.2472 C( 396 GLY* 63) 8.64700000 +0 -2.06900000 +0 5.89900000 +0 0.5785 O( 397 GLY* 63) 9.10200000 +0 -2.37200000 +0 7.00200000 +0 -0.6165 N( 398 PRO* 64) 9.20900000 +0 -2.53100000 +0 4.76800000 +0 -0.3740 C( 399 PRO* 64) 10.38900000 +0 -3.39800000 +0 4.89200000 +0 -0.0499 C( 400 PRO* 64) 11.62400000 +0 -2.55300000 +0 5.25800000 +0 0.6097 O( 401 PRO* 64) 11.63800000 +0 -1.33200000 +0 5.01600000 +0 -0.6620 C( 402 PRO 64) 10.49300000 +0 -4.02300000 +0 3.51300000 +0 -0.2622 C( 403 PRO 64) 10.07200000 +0 -2.88700000 +0 2.63900000 +0 -0.2661 C( 404 PRO 64) 8.87800000 +0 -2.29800000 +0 3.35200000 +0 -0.0916 N( 405 PRO* 65) 12.68200000 +0 -3.19200000 +0 5.81700000 +0 -0.3608 C( 406 PRO* 65) 13.91500000 +0 -2.48400000 +0 6.19800000 +0 0.0012 C( 407 PRO* 65) 14.49700000 +0 -1.86700000 +0 4.95900000 +0 0.6116 O( 408 PRO* 65) 14.35200000 +0 -2.43600000 +0 3.90100000 +0 -0.6867 C( 409 PRO 65) 14.83300000 +0 -3.57900000 +0 6.72900000 +0 -0.4230 C( 410 PRO 65) 13.85700000 +0 -4.63600000 +0 7.18200000 +0 0.2365 C( 411 PRO 65) 12.81100000 +0 -4.63000000 +0 6.09100000 +0 -0.1534 O( 412 PRO 65) 13.28400000 +0 -4.19600000 +0 8.32100000 +0 -0.5917 N( 413 GLY* 66) 15.17700000 +0 -0.73600000 +0 5.15000000 +0 -0.4066 C( 414 GLY* 66) 15.88400000 +0 -0.06300000 +0 4.07400000 +0 -0.2588 C( 415 GLY* 66) 17.08099900 +0 -0.88700000 +0 3.61600000 +0 0.5890 O( 416 GLY* 66) 17.44599900 +0 -1.90300000 +0 4.23400000 +0 -0.6219 N( 417 PRO* 67) 17.73100100 +0 -0.46600000 +0 2.52800000 +0 -0.3683 C( 418 PRO* 67) 18.90200000 +0 -1.15000000 +0 1.95700000 +0 -0.0162 C( 419 PRO* 67) 20.20800000 +0 -0.93100000 +0 2.77900000 +0 0.5995 O( 420 PRO* 67) 20.24200100 +0 -0.17000000 +0 3.74000000 +0 -0.6480 C( 421 PRO 67) 18.96999900 +0 -0.56200000 +0 0.55200000 +0 -0.3245 C( 422 PRO 67) 18.52700000 +0 0.84700000 +0 0.77100000 +0 -0.2322 C( 423 PRO 67) 17.40399900 +0 0.75800000 +0 1.77400000 +0 -0.1154 N( 424 PRO* 68) 21.28800000 +0 -1.59200000 +0 2.39800000 +0 -0.3520 C( 425 PRO* 68) 22.53400000 +0 -1.39400000 +0 3.12400000 +0 -0.0486 C( 426 PRO* 68) 23.03300100 +0 0.04500000 +0 3.01800000 +0 0.5729 O( 427 PRO* 68) 22.89100100 +0 0.72500000 +0 1.99300000 +0 -0.6826 C( 428 PRO 68) 23.50400000 +0 -2.40000000 +0 2.49100000 +0 -0.3922 C( 429 PRO 68) 22.63600000 +0 -3.39900000 +0 1.72200000 +0 0.2217 C( 430 PRO 68) 21.43499900 +0 -2.57500000 +0 1.32000000 +0 -0.1326 O( 431 PRO 68) 22.13600000 +0 -4.46300000 +0 2.52600000 +0 -0.5510 N( 432 GLY* 69) 23.61000100 +0 0.48500000 +0 4.11300000 +0 -0.3738 C( 433 GLY* 69) 24.17200100 +0 1.79300000 +0 4.15400000 +0 -0.2669 C( 434 GLY* 69) 25.41000000 +0 1.84000000 +0 3.28700000 +0 0.5895 O( 435 GLY* 69) 25.79800000 +0 0.85400000 +0 2.67100000 +0 -0.7015 N( 436 PRO* 70) 26.04500000 +0 3.00600000 +0 3.23000000 +0 -0.3207 C( 437 PRO* 70) 27.24700000 +0 3.17800000 +0 2.42200000 +0 -0.0481 C( 438 PRO* 70) 28.54000100 +0 2.53300000 +0 3.00000000 +0 0.6025 O( 439 PRO* 70) 28.59800000 +0 2.14100000 +0 4.17100000 +0 -0.6509 C( 440 PRO 70) 27.30299900 +0 4.69800000 +0 2.21400000 +0 -0.2644 C( 441 PRO 70) 26.59199900 +0 5.27800000 +0 3.40700000 +0 -0.2631 C( 442 PRO 70) 25.62100000 +0 4.24100000 +0 3.89600000 +0 -0.1072 N( 443 PRO* 71) 29.56300000 +0 2.37600000 +0 2.14500000 +0 -0.3543 C( 444 PRO* 71) 30.86100000 +0 1.80400000 +0 2.50000000 +0 -0.0055 C( 445 PRO* 71) 31.48300000 +0 2.59100000 +0 3.64700000 +0 0.5688 O( 446 PRO* 71) 31.29400100 +0 3.81200000 +0 3.75600000 +0 -0.6434 C( 447 PRO 71) 31.66200100 +0 1.88700000 +0 1.19400000 +0 -0.4052 C( 448 PRO 71) 30.60899900 +0 1.86000000 +0 0.09700000 +0 0.2289 C( 449 PRO 71) 29.46900000 +0 2.66300000 +0 0.69100000 +0 -0.1767 O( 450 PRO 71) 30.22900000 +0 0.54000000 +0 -0.09300000 +0 -0.6067 N( 451 GLY* 72) 32.20500200 +0 1.88100000 +0 4.48900000 +0 -0.3961 C( 452 GLY* 72) 32.86600100 +0 2.51900000 +0 5.60200000 +0 -0.2960 C( 453 GLY* 72) 33.91299800 +0 3.57200000 +0 5.30700000 +0 0.6140 O( 454 GLY* 72) 34.32300200 +0 3.71300000 +0 4.20100000 +0 -0.6577 N( 455 PRO* 73) 34.36100000 +0 4.32400000 +0 6.33400000 +0 -0.3634 C( 456 PRO* 73) 35.36899900 +0 5.33600000 +0 6.09800000 +0 -0.0574 C( 457 PRO* 73) 36.72300000 +0 4.71200000 +0 5.86000000 +0 0.5864 O( 458 PRO* 73) 36.88600200 +0 3.50400000 +0 6.09200000 +0 -0.6071 C( 459 PRO 73) 35.30400100 +0 6.18400000 +0 7.36000000 +0 -0.2602 C( 460 PRO 73) 34.94900100 +0 5.18000000 +0 8.40500000 +0 -0.2776 C( 461 PRO 73) 33.95800000 +0 4.28300000 +0 7.75000000 +0 -0.0666 N( 462 PRO* 74) 37.68899900 +0 5.50900000 +0 5.32900000 +0 -0.4001 C( 463 PRO* 74) 39.10800200 +0 5.19900000 +0 5.05400000 +0 0.0661 C( 464 PRO* 74) 39.69100200 +0 4.85700000 +0 6.45100000 +0 0.5226 O( 465 PRO* 74) 39.26100200 +0 5.39000000 +0 7.46300000 +0 -0.6281 C( 466 PRO 74) 39.68700000 +0 6.50600000 +0 4.56400000 +0 -0.4080 C( 467 PRO 74) 38.53200100 +0 7.26600000 +0 3.92900000 +0 0.2214 C( 468 PRO 74) 37.34000000 +0 6.83000000 +0 4.77100000 +0 -0.1753 O( 469 PRO 74) 38.32000000 +0 6.86000000 +0 2.58200000 +0 -0.5880 N( 470 ALA* 75) 40.66400100 +0 3.98900000 +0 6.45000000 +0 -0.4490 C( 471 ALA* 75) 41.34100000 +0 3.49500000 +0 7.56700000 +0 0.0083 C( 472 ALA* 75) 42.70000100 +0 4.22400000 +0 7.59100000 +0 0.5482 O( 473 ALA* 75) 43.07000000 +0 4.91400000 +0 6.61500000 +0 -0.6400 C( 474 ALA 75) 41.51499900 +0 1.98500000 +0 7.36000000 +0 -0.4722 N( 475 PRO* 76) 43.47000100 +0 4.09800000 +0 8.71100000 +0 -0.3617 C( 476 PRO* 76) 44.79999900 +0 4.70300000 +0 8.86700000 +0 -0.0371 C( 477 PRO* 76) 45.88900000 +0 3.90300000 +0 8.14300000 +0 0.5843 O( 478 PRO* 76) 45.68700000 +0 2.74900000 +0 7.81600000 +0 -0.6458 C( 479 PRO 76) 45.03900100 +0 4.69100000 +0 10.37500000 +0 -0.2902 C( 480 PRO 76) 43.76300000 +0 4.19800000 +0 10.98600000 +0 -0.2768 C( 481 PRO 76) 43.09500100 +0 3.37900000 +0 9.93100000 +0 -0.0965 N( 482 PRO* 77) 47.03900100 +0 4.52600000 +0 7.82300000 +0 -0.3897 C( 483 PRO* 77) 48.10300100 +0 3.70200000 +0 7.20800000 +0 -0.0503 C( 484 PRO* 77) 48.56100100 +0 2.57700000 +0 8.13600000 +0 0.5871 O( 485 PRO* 77) 48.52999900 +0 2.71900000 +0 9.35800000 +0 -0.6397 C( 486 PRO 77) 49.29399900 +0 4.65200000 +0 7.01300000 +0 -0.3633 C( 487 PRO 77) 48.69100200 +0 6.03900000 +0 6.94400000 +0 0.2188 C( 488 PRO 77) 47.40100100 +0 5.95900000 +0 7.78700000 +0 -0.0880 O( 489 PRO 77) 48.50099900 +0 6.31700000 +0 5.49900000 +0 -0.6102 N( 490 GLY* 78) 49.03799800 +0 1.51600000 +0 7.51400000 +0 -0.4064 C( 491 GLY* 78) 49.74399900 +0 0.44700000 +0 8.20500000 +0 -0.2489 C( 492 GLY* 78) 50.96600000 +0 0.96600000 +0 8.97100000 +0 0.6060 O( 493 GLY* 78) 51.28900100 +0 2.17400000 +0 8.98700000 +0 -0.6884 N( 494 PRO* 79) 51.68100000 +0 0.07300000 +0 9.61800000 +0 -0.3163 C( 495 PRO* 79) 52.84600100 +0 0.41800000 +0 10.44200000 +0 -0.0715 C( 496 PRO* 79) 54.07799900 +0 0.59600000 +0 9.59000000 +0 0.6267 O( 497 PRO* 79) 54.04200000 +0 0.23800000 +0 8.42400000 +0 -0.6526 C( 498 PRO 79) 52.91999800 +0 -0.73800000 +0 11.40300000 +0 -0.2873 C( 499 PRO 79) 52.52700000 +0 -1.90000000 +0 10.54800000 +0 -0.2736 C( 500 PRO 79) 51.48300200 +0 -1.38800000 +0 9.55600000 +0 -0.1001 N( 501 PRO* 80) 55.13800000 +0 1.21800000 +0 10.13000000 +0 -0.3824 C( 502 PRO* 80) 56.35599900 +0 1.40500000 +0 9.34700000 +0 -0.0463 C( 503 PRO* 80) 56.91700000 +0 0.09300000 +0 8.82900000 +0 0.5562 O( 504 PRO* 80) 56.71900200 +0 -0.98100000 +0 9.46100000 +0 -0.6420 C( 505 PRO 80) 57.32600000 +0 2.04300000 +0 10.31400000 +0 -0.4008 C( 506 PRO 80) 56.48199800 +0 2.78100000 +0 11.31700000 +0 0.2329 C( 507 PRO 80) 55.26599900 +0 1.86200000 +0 11.45300000 +0 -0.1833 O( 508 PRO 80) 56.16099900 +0 4.05900000 +0 10.73700000 +0 -0.5768 N( 509 GLY* 81) 57.61899900 +0 0.18600000 +0 7.68700000 +0 -0.3876 C( 510 GLY* 81) 58.30500000 +0 -0.95900000 +0 7.13200000 +0 -0.2311 C( 511 GLY* 81) 59.61800000 +0 -1.28400000 +0 7.82400000 +0 0.5855 O( 512 GLY* 81) 60.06399900 +0 -0.58000000 +0 8.72600000 +0 -0.6524 N( 513 PRO* 82) 60.26599900 +0 -2.39200000 +0 7.44300000 +0 -0.3557 C( 514 PRO* 82) 61.55400100 +0 -2.78000000 +0 8.02600000 +0 -0.0233 C( 515 PRO* 82) 62.69599900 +0 -1.83100000 +0 7.68800000 +0 0.5952 O( 516 PRO* 82) 62.66799900 +0 -1.11900000 +0 6.66200000 +0 -0.6499 C( 517 PRO 82) 61.79299900 +0 -4.18000000 +0 7.47700000 +0 -0.2751 C( 518 PRO 82) 60.47399900 +0 -4.64000000 +0 7.01200000 +0 -0.2876 C( 519 PRO 82) 59.74200100 +0 -3.44000000 +0 6.56200000 +0 -0.0912 N( 520 PRO* 83) 63.72000100 +0 -1.78900000 +0 8.55400000 +0 -0.3638 C( 521 PRO* 83) 64.87999700 +0 -0.93300000 +0 8.26100000 +0 -0.0106 C( 522 PRO* 83) 65.43499800 +0 -1.44200000 +0 6.94000000 +0 0.5631 O( 523 PRO* 83) 65.23200200 +0 -2.63700000 +0 6.63500000 +0 -0.6542 C( 524 PRO 83) 65.85800200 +0 -1.20100000 +0 9.38600000 +0 -0.4278 C( 525 PRO 83) 65.00800300 +0 -1.73900000 +0 10.52500000 +0 0.2482 C( 526 PRO 83) 63.85200100 +0 -2.46600000 +0 9.84400000 +0 -0.1562 O( 527 PRO 83) 64.57800300 +0 -0.64600000 +0 11.21000000 +0 -0.6148 N( 528 GLY* 84) 66.11799600 +0 -0.57700000 +0 6.19600000 +0 -0.3898 C( 529 GLY* 84) 66.70200300 +0 -0.97600000 +0 4.91200000 +0 -0.2276 C( 530 GLY* 84) 68.03600300 +0 -1.71700000 +0 5.03700000 +0 0.5846 O( 531 GLY* 84) 68.45099600 +0 -2.02800000 +0 6.14100000 +0 -0.6330 N( 532 PRO* 85) 68.74900100 +0 -2.00500000 +0 3.92400000 +0 -0.3611 C( 533 PRO* 85) 70.02100400 +0 -2.73300000 +0 4.04000000 +0 -0.0304 C( 534 PRO* 85) 71.14700300 +0 -1.93200000 +0 4.72500000 +0 0.5926 O( 535 PRO* 85) 71.04200000 +0 -0.70300000 +0 4.91600000 +0 -0.6605 C( 536 PRO 85) 70.37100200 +0 -3.09500000 +0 2.61100000 +0 -0.2841 C( 537 PRO 85) 69.80200200 +0 -1.94200000 +0 1.86400000 +0 -0.2556 C( 538 PRO 85) 68.49500300 +0 -1.59700000 +0 2.53400000 +0 -0.0943 N( 539 PRO* 86) 72.23799900 +0 -2.63600000 +0 5.11000000 +0 -0.3784 C( 540 PRO* 86) 73.38500200 +0 -1.98500000 +0 5.76100000 +0 -0.0469 C( 541 PRO* 86) 73.98799900 +0 -0.99300000 +0 4.78700000 +0 0.5515 O( 542 PRO* 86) 73.99700200 +0 -1.22200000 +0 3.57700000 +0 -0.5910 C( 543 PRO 86) 74.32000000 +0 -3.14900000 +0 6.13100000 +0 -0.3829 C( 544 PRO 86) 73.40799700 +0 -4.37600000 +0 6.18000000 +0 0.2343 C( 545 PRO 86) 72.43000000 +0 -4.09400000 +0 5.03500000 +0 -0.1936 O( 546 PRO 86) 72.74600200 +0 -4.42300000 +0 7.44200000 +0 -0.5869 N( 547 GLY* 87) 74.44000200 +0 0.11600000 +0 5.33000000 +0 -0.3847 C( 548 GLY* 87) 75.00000000 +0 1.12700000 +0 4.50200000 +0 -0.2749 C( 549 GLY* 87) 76.21299700 +0 0.63600000 +0 3.78900000 +0 0.5829 O( 550 GLY* 87) 76.62999700 +0 -0.54700000 +0 3.88400000 +0 -0.6417 N( 551 PRO* 88) 76.83699800 +0 1.55900000 +0 3.07100000 +0 -0.3436 C( 552 PRO* 88) 78.03199800 +0 1.22000000 +0 2.31800000 +0 -0.0553 C( 553 PRO* 88) 79.23400100 +0 1.14100000 +0 3.25600000 +0 0.5806 O( 554 PRO* 88) 79.36499800 +0 1.93200000 +0 4.19600000 +0 -0.6517 C( 555 PRO 88) 78.16300200 +0 2.34900000 +0 1.31300000 +0 -0.2571 C( 556 PRO 88) 77.01499900 +0 3.28600000 +0 1.56700000 +0 -0.2871 C( 557 PRO 88) 76.52200300 +0 2.98600000 +0 2.95700000 +0 -0.1016 N( 558 PRO* 89) 80.08899700 +0 0.14900000 +0 3.03500000 +0 -0.3387 C( 559 PRO 89) 81.35399600 +0 -0.16400000 +0 3.70300000 +0 -0.0487 C( 560 PRO 89) 82.42199700 +0 0.82700000 +0 3.22100000 +0 0.3425 O( 561 PRO 89) 82.39900200 +0 1.28100000 +0 2.05400000 +0 -0.4686 C( 562 PRO 89) 81.64499700 +0 -1.61000000 +0 3.28200000 +0 -0.3893 C( 563 PRO* 89) 80.95099600 +0 -1.75500000 +0 1.92600000 +0 0.1919 C( 564 PRO* 89) 79.69500000 +0 -0.91200000 +0 2.10000000 +0 -0.1828 O( 565 PRO* 89) 80.52100400 +0 -3.11500000 +0 1.65100000 +0 -0.5681 C( 566 C ) 14.64700000 +0 -6.02600000 +0 3.45200000 +0 0.6801 O( 567 O ) 15.71300000 +0 -5.93100000 +0 4.05700000 +0 -0.6069 O( 568 O ) 14.26600000 +0 -5.08800000 +0 2.63200000 +0 -0.4879 C( 569 C ) 13.66200000 +0 -7.17300000 +0 3.57700000 +0 -0.5764 C( 570 C ) 25.56100100 +0 3.82500000 +0 14.24000000 +0 0.6750 O( 571 O ) 26.55699900 +0 3.75700000 +0 14.97200000 +0 -0.5687 O( 572 O ) 25.15200000 +0 2.80000000 +0 13.54200000 +0 -0.5737 C( 573 C ) 24.70299900 +0 5.05100000 +0 14.04600000 +0 -0.5681 C( 574 C ) 19.21999900 +0 7.46100000 +0 7.51900000 +0 0.7261 O( 575 O ) 19.62100000 +0 7.43800000 +0 8.67800000 +0 -0.5954 O( 576 O ) 19.60600100 +0 6.56800000 +0 6.65200000 +0 -0.5241 C( 577 C ) 18.24900100 +0 8.47100000 +0 6.96100000 +0 -0.5904 C( 578 C ) 34.67599900 +0 2.61000000 +0 -0.95800000 +0 0.6944 O( 579 O ) 34.56700100 +0 3.03300000 +0 -2.10100000 +0 -0.4775 O( 580 O ) 34.38399900 +0 3.35700000 +0 0.07100000 +0 -0.5112 C( 581 C ) 35.11600100 +0 1.22100000 +0 -0.60900000 +0 -0.6864 C( 582 C ) 32.10800200 +0 6.14400000 +0 -0.04100000 +0 0.7037 O( 583 O ) 31.24099900 +0 5.88400000 +0 0.79900000 +0 -0.5990 O( 584 O ) 32.47900000 +0 5.26900000 +0 -0.95200000 +0 -0.4739 C( 585 C ) 32.82799900 +0 7.46500000 +0 -0.14000000 +0 -0.5639 C( 586 C ) 14.99600000 +0 3.32600000 +0 13.93600000 +0 0.6543 O( 587 O ) 15.49900000 +0 4.41700000 +0 13.67200000 +0 -0.5910 O( 588 O ) 15.58400000 +0 2.45200000 +0 14.70400000 +0 -0.4924 C( 589 C ) 13.66700000 +0 2.86200000 +0 13.42100000 +0 -0.5707 O( 590 HOH 201) 11.40900000 +0 -6.02100000 +0 0.48000000 +0 -0.6600 O( 591 HOH 202) 14.84400000 +0 -2.11300000 +0 1.02400000 +0 -0.6779 O( 592 HOH 203) 9.42700000 +0 -0.11400000 +0 12.84100000 +0 -0.6787 O( 593 HOH 204) 12.56300000 +0 -3.58800000 +0 -0.03900000 +0 -0.6554 O( 594 HOH 205) 15.70700000 +0 -4.53200000 +0 9.79100000 +0 -0.6618 O( 595 HOH 206) 80.14399700 +0 0.54500000 +0 10.39500000 +0 -0.6485 O( 596 HOH 207) 12.56900000 +0 2.82000000 +0 10.98800000 +0 -0.6748 O( 597 HOH 208) 42.75199900 +0 -2.77900000 +0 5.46000000 +0 -0.6858 O( 598 HOH 209) 62.08400000 +0 0.32000000 +0 15.19300000 +0 -0.6442 O( 599 HOH 210) 17.94800000 +0 -4.79000000 +0 3.85300000 +0 -0.6658 O( 600 HOH 211) 23.07000000 +0 3.45100000 +0 1.01100000 +0 -0.6800 O( 601 HOH 212) 41.67699800 +0 3.63800000 +0 1.53100000 +0 -0.6991 O( 602 HOH 213) 26.06600000 +0 -4.82500000 +0 4.58000000 +0 -0.6665 O( 603 HOH 214) 56.48400100 +0 -1.09300000 +0 12.33500000 +0 -0.6758 O( 604 HOH 215) 31.93199900 +0 -6.37900000 +0 7.99000000 +0 -0.6669 O( 605 HOH 216) 31.88100100 +0 6.34500000 +0 4.80200000 +0 -0.6698 O( 606 HOH 217) 54.58700200 +0 -5.23800000 +0 3.13000000 +0 -0.6858 O( 607 HOH 218) 28.36500000 +0 -4.40900000 +0 10.03100000 +0 -0.6913 O( 608 HOH 219) 41.40000200 +0 -5.16500000 +0 3.99400000 +0 -0.6466 O( 609 HOH 220) 34.25700000 +0 5.28800000 +0 1.81600000 +0 -0.6532 O( 610 HOH 221) 51.21600000 +0 5.69600000 +0 4.96000000 +0 -0.6623 O( 611 HOH 222) 57.01599900 +0 -5.04100000 +0 4.27800000 +0 -0.6681 O( 612 HOH 223) 32.28699900 +0 -0.72900000 +0 -1.17900000 +0 -0.6189 O( 613 HOH 224) 28.14100100 +0 1.31300000 +0 -1.68100000 +0 -0.6653 O( 614 HOH 225) 28.71200000 +0 3.41200000 +0 11.80700000 +0 -0.6603 O( 615 HOH 226) 26.35600100 +0 0.74500000 +0 12.78800000 +0 -0.6049 O( 616 HOH 227) 51.48899800 +0 4.00600000 +0 11.02500000 +0 -0.6860 O( 617 HOH 228) 59.70200000 +0 1.90300000 +0 -1.69900000 +0 -0.6315 O( 618 HOH 229) 69.63700100 +0 7.42100000 +0 2.67000000 +0 -0.6486 O( 619 HOH 230) 53.78599900 +0 5.30800000 +0 11.69500000 +0 -0.6708 O( 620 HOH 231) 20.59300000 +0 3.07900000 +0 11.30100000 +0 -0.6401 O( 621 HOH 232) 23.13200000 +0 6.04100000 +0 5.89400000 +0 -0.6558 O( 622 HOH 233) 62.43899900 +0 -0.96200000 +0 12.97800000 +0 -0.6730 O( 623 HOH 234) 29.55100100 +0 -4.46500000 +0 7.41000000 +0 -0.6682 O( 624 HOH 235) 45.33400000 +0 1.74600000 +0 13.39700000 +0 -0.6299 O( 625 HOH 236) 36.03099800 +0 -4.30900000 +0 8.25100000 +0 -0.6614 O( 626 HOH 237) 71.53299700 +0 3.34100000 +0 11.37700000 +0 -0.6691 O( 627 HOH 238) 45.84299900 +0 -6.22600000 +0 10.69500000 +0 -0.6697 O( 628 HOH 239) 4.86800000 +0 -1.19500000 +0 -0.05500000 +0 -0.6476 O( 629 HOH 240) 49.14799900 +0 -5.37300000 +0 9.33700000 +0 -0.6732 O( 630 HOH 241) 66.39700300 +0 0.63400000 +0 13.02800000 +0 -0.6634 O( 631 HOH 242) 11.57300000 +0 6.67800000 +0 5.95600000 +0 -0.6258 O( 632 HOH 243) 65.72200000 +0 -0.40300000 +0 0.66100000 +0 -0.6570 O( 633 HOH 244) 70.52100400 +0 -6.18700000 +0 7.83500000 +0 -0.6426 O( 634 HOH 245) 48.61700100 +0 4.64700000 +0 12.03800000 +0 -0.6515 O( 635 HOH 246) 10.35400000 +0 5.98300000 +0 3.42300000 +0 -0.6712 O( 636 HOH 247) 74.77600100 +0 5.78200000 +0 3.33800000 +0 -0.6855 O( 637 HOH 248) 76.63700100 +0 -1.87800000 +0 11.68800000 +0 -0.6495 O( 638 HOH 249) 23.27199900 +0 6.08800000 +0 1.48700000 +0 -0.6657 O( 639 HOH 250) 43.46400100 +0 5.88700000 +0 3.72700000 +0 -0.6677 O( 640 HOH 251) 34.50999800 +0 3.85500000 +0 12.17100000 +0 -0.6345 O( 641 HOH 252) 41.13200000 +0 3.28700000 +0 3.97500000 +0 -0.6369 O( 642 HOH 253) 17.94800000 +0 -3.68700000 +0 8.80100000 +0 -0.6913 O( 643 HOH 254) 61.65700100 +0 6.17700000 +0 6.13100000 +0 -0.6628 O( 644 HOH 255) 17.49000000 +0 5.90000000 +0 9.60300000 +0 -0.6754 O( 645 HOH 256) 20.69000100 +0 -1.09300000 +0 10.88800000 +0 -0.6635 O( 646 HOH 257) 22.04999900 +0 0.31800000 +0 -0.63500000 +0 -0.6998 O( 647 HOH 258) 24.19400000 +0 -0.55900000 +0 -2.22600000 +0 -0.6403 O( 648 HOH 259) 62.91400100 +0 2.92800000 +0 0.97800000 +0 -0.6789 O( 649 HOH 260) 25.97100100 +0 -0.12200000 +0 0.23000000 +0 -0.6747 O( 650 HOH 261) 45.43700000 +0 -4.04300000 +0 2.12700000 +0 -0.6598 O( 651 HOH 262) 26.40000000 +0 -5.85000000 +0 10.17100000 +0 -0.6472 O( 652 HOH 263) 40.54999900 +0 6.04700000 +0 0.81200000 +0 -0.6602 O( 653 HOH 264) 29.39900000 +0 7.83400000 +0 5.09000000 +0 -0.6588 O( 654 HOH 265) 28.77100000 +0 -1.49400000 +0 10.90700000 +0 -0.6466 O( 655 HOH 266) 57.58200100 +0 -5.98100000 +0 7.21700000 +0 -0.6375 O( 656 HOH 267) 64.44300100 +0 -4.92400000 +0 4.81000000 +0 -0.6658 O( 657 HOH 268) 22.00499900 +0 1.40200000 +0 14.16000000 +0 -0.6471 O( 658 HOH 269) 77.25000000 +0 9.69000000 +0 2.54400000 +0 -0.6385 O( 659 HOH 270) 45.41400100 +0 0.54600000 +0 9.52700000 +0 -0.6860 O( 660 HOH 271) 38.12699900 +0 5.61100000 +0 10.29100000 +0 -0.6602 O( 661 HOH 272) 51.81700100 +0 -6.47100000 +0 10.73100000 +0 -0.6491 O( 662 HOH 273) 38.47200000 +0 1.43400000 +0 5.64400000 +0 -0.7259 O( 663 HOH 274) 47.17599900 +0 -2.17400000 +0 1.67900000 +0 -0.6891 O( 664 HOH 275) 12.06400000 +0 0.55700000 +0 13.05100000 +0 -0.6681 O( 665 HOH 276) 70.53600300 +0 -0.00700000 +0 14.81600000 +0 -0.6292 O( 666 HOH 277) 68.96099900 +0 5.66200000 +0 11.27000000 +0 -0.6410 O( 667 HOH 278) 2.93600000 +0 0.36200000 +0 14.40200000 +0 -0.6227 O( 668 HOH 279) 59.91500100 +0 4.08100000 +0 0.14200000 +0 -0.6557 O( 669 HOH 280) 71.67800100 +0 6.26400000 +0 5.35600000 +0 -0.6928 O( 670 HOH 281) 69.00000000 +0 6.97000000 +0 5.32300000 +0 -0.6699 O( 671 HOH 282) 70.99900100 +0 -1.50300000 +0 -1.50200000 +0 -0.6421 O( 672 HOH 283) 72.47200000 +0 -4.88400000 +0 0.20900000 +0 -0.6369 O( 673 HOH 284) 71.43900300 +0 0.93500000 +0 12.46700000 +0 -0.6991 O( 674 HOH 285) 68.58899700 +0 0.91400000 +0 11.29100000 +0 -0.7115 H( 675 PRO* 1) 3.62725138 +1 2.24448135 +1 7.40448879 +1 0.2363 H( 676 PRO* 1) 4.72780543 +1 4.73133803 +1 8.17161670 +1 0.1543 H( 677 PRO 1) 5.62946349 +1 3.32389807 +1 10.48667138 +1 0.1543 H( 678 PRO 1) 4.38267985 +1 4.56709110 +1 10.46636089 +1 0.1484 H( 679 PRO 1) 4.02639765 +1 1.52326090 +1 10.28141305 +1 0.1570 H( 680 PRO 1) 3.11212604 +1 2.65941338 +1 11.27765152 +1 0.1440 H( 681 PRO 1) 1.99431287 +1 1.83282067 +1 8.94822480 +1 0.1414 H( 682 PRO 1) 1.90397187 +1 3.56611071 +1 9.34245959 +1 0.1424 H( 683 PRO* 2) 7.97322037 +1 2.40909282 +1 5.99516389 +1 0.2021 H( 684 PRO 2) 10.03237064 +1 4.20963874 +1 7.25802141 +1 0.1858 H( 685 PRO 2) 9.48473767 +1 4.11569265 +1 5.57500129 +1 0.1845 H( 686 PRO 2) 8.76599120 +1 6.19496021 +1 7.48913561 +1 0.1310 H( 687 PRO 2) 6.80161371 +1 5.41263063 +1 8.45802419 +1 0.1492 H( 688 PRO 2) 6.08865784 +1 5.32378072 +1 6.79793843 +1 0.1655 H( 689 PRO 2) 8.83383757 +1 5.97725172 +1 4.96962671 +1 0.3527 H( 690 GLY* 3) 9.68893328 +1 0.88084290 +1 6.29613272 +1 0.3094 H( 691 GLY* 3) 10.46495263 +1 -0.93116776 +1 7.49773642 +1 0.2318 H( 692 GLY* 3) 9.59932187 +1 -0.35870695 +1 8.97380129 +1 0.1711 H( 693 PRO* 4) 13.37876099 +1 0.68661933 +1 10.96285863 +1 0.1809 H( 694 PRO 4) 14.57245539 +1 -2.05445298 +1 10.24278475 +1 0.1575 H( 695 PRO 4) 14.29455947 +1 -1.33591145 +1 11.83375344 +1 0.1568 H( 696 PRO 4) 12.62252610 +1 -3.27040759 +1 10.94893664 +1 0.1526 H( 697 PRO 4) 11.95532725 +1 -1.88572395 +1 11.82191732 +1 0.1517 H( 698 PRO 4) 12.09658278 +1 -2.34958045 +1 8.77127524 +1 0.1849 H( 699 PRO 4) 10.70249415 +1 -1.77829254 +1 9.75893699 +1 0.1549 H( 700 PRO* 5) 16.64732714 +1 2.12432577 +1 8.31414773 +1 0.1908 H( 701 PRO 5) 18.58826419 +1 1.18290946 +1 10.52850911 +1 0.1905 H( 702 PRO 5) 18.46346390 +1 2.74620392 +1 9.76307894 +1 0.1931 H( 703 PRO 5) 17.40888511 +1 2.47658467 +1 12.25098939 +1 0.1079 H( 704 PRO 5) 16.15369759 +1 0.39676182 +1 11.86251306 +1 0.1599 H( 705 PRO 5) 14.85984149 +1 1.62925532 +1 11.64346525 +1 0.1554 H( 706 PRO 5) 15.91159316 +1 4.09859769 +1 11.62275382 +1 0.3432 H( 707 GLY* 6) 18.34275045 +1 1.26473243 +1 6.92916396 +1 0.3364 H( 708 GLY* 6) 19.19767256 +1 -0.39960360 +1 5.60298656 +1 0.2537 H( 709 GLY* 6) 18.20019381 +1 -1.60146950 +1 6.43694417 +1 0.2180 H( 710 PRO* 7) 21.66421769 +1 -2.64295008 +1 8.87268897 +1 0.1533 H( 711 PRO 7) 23.07131620 +1 -4.63831530 +1 7.56100599 +1 0.1550 H( 712 PRO 7) 21.40130653 +1 -4.88839538 +1 8.08059715 +1 0.1582 H( 713 PRO 7) 22.40445903 +1 -3.90708741 +1 5.32978854 +1 0.1414 H( 714 PRO 7) 21.36768850 +1 -5.28615372 +1 5.63048701 +1 0.1699 H( 715 PRO 7) 20.23603391 +1 -2.88587871 +1 4.96076465 +1 0.1805 H( 716 PRO 7) 19.44040196 +1 -3.90351730 +1 6.18796546 +1 0.1689 H( 717 PRO* 8) 25.26007116 +1 -0.30275955 +1 8.40217526 +1 0.1901 H( 718 PRO 8) 27.12277738 +1 -1.20865335 +1 9.63862466 +1 0.1906 H( 719 PRO 8) 27.04645302 +1 -2.79922654 +1 8.88166804 +1 0.1729 H( 720 PRO 8) 25.91946963 +1 -3.19800639 +1 11.04700788 +1 0.1138 H( 721 PRO 8) 24.56064772 +1 -4.10698903 +1 9.20004901 +1 0.1500 H( 722 PRO 8) 23.36562812 +1 -3.08484882 +1 10.07967583 +1 0.1578 H( 723 PRO 8) 25.64631857 +1 -1.05711995 +1 11.78011682 +1 0.3317 H( 724 GLY* 9) 26.79527521 +1 0.28524359 +1 6.71061847 +1 0.3437 H( 725 GLY* 9) 27.42697125 +1 0.27075410 +1 4.49176647 +1 0.2372 H( 726 GLY* 9) 26.44057386 +1 -1.19269782 +1 4.18700145 +1 0.1827 H( 727 PRO* 10) 30.01166245 +1 -3.62397118 +1 4.67343452 +1 0.1648 H( 728 PRO 10) 31.41784155 +1 -3.63158872 +1 2.26011411 +1 0.1554 H( 729 PRO 10) 29.77590462 +1 -4.27867989 +1 2.39067848 +1 0.1685 H( 730 PRO 10) 30.60115998 +1 -1.39242653 +1 1.60715431 +1 0.1542 H( 731 PRO 10) 29.63338623 +1 -2.51468027 +1 0.65056128 +1 0.1452 H( 732 PRO 10) 28.37514074 +1 -0.69405888 +1 2.25055021 +1 0.1648 H( 733 PRO 10) 27.72372667 +1 -2.36902347 +1 2.18529231 +1 0.1466 H( 734 PRO* 11) 33.83913934 +1 -2.16071810 +1 6.21896307 +1 0.1752 H( 735 PRO 11) 35.64609826 +1 -3.63724924 +1 5.44849186 +1 0.1735 H( 736 PRO 11) 35.00512222 +1 -3.74476353 +1 3.80653445 +1 0.1915 H( 737 PRO 11) 34.06439555 +1 -5.81517304 +1 4.79186506 +1 0.1201 H( 738 PRO 11) 32.01618522 +1 -4.89214001 +1 4.06094479 +1 0.1490 H( 739 PRO 11) 31.70104935 +1 -4.61360096 +1 5.81357594 +1 0.1697 H( 740 PRO 11) 35.00959426 +1 -5.03419935 +1 6.93975677 +1 0.3647 H( 741 GLY* 12) 35.30178438 +1 -0.39658909 +1 5.88888003 +1 0.3203 H( 742 GLY* 12) 36.03956668 +1 1.47057227 +1 4.81623653 +1 0.2214 H( 743 GLY* 12) 34.88945946 +1 1.16212733 +1 3.44590705 +1 0.2018 H( 744 PRO* 13) 38.21794504 +1 0.19636395 +1 0.88782701 +1 0.1646 H( 745 PRO 13) 39.77322094 +1 2.74484240 +1 1.53485803 +1 0.1634 H( 746 PRO 13) 39.05470754 +1 2.24937896 +1 0.01385772 +1 0.1519 H( 747 PRO 13) 37.87653262 +1 4.20696732 +1 1.47842566 +1 0.1861 H( 748 PRO 13) 36.88705964 +1 3.07214428 +1 0.59647815 +1 0.1624 H( 749 PRO 13) 37.58065661 +1 3.03579848 +1 3.59704180 +1 0.1365 H( 750 PRO 13) 36.00538665 +1 2.78470656 +1 2.82586077 +1 0.1669 H( 751 PRO* 14) 41.34430139 +1 -1.74505595 +1 3.35599171 +1 0.1717 H( 752 PRO 14) 43.05124853 +1 -1.38884303 +1 0.79518854 +1 0.1879 H( 753 PRO 14) 42.92825938 +1 -2.79318455 +1 1.84534474 +1 0.1860 H( 754 PRO 14) 41.40691231 +1 -2.90115015 +1 -0.37604721 +1 0.1528 H( 755 PRO 14) 40.49440016 +1 -0.57151772 +1 -0.31691249 +1 0.1640 H( 756 PRO 14) 39.17113541 +1 -1.51115222 +1 0.44831244 +1 0.1686 H( 757 PRO 14) 40.01313812 +1 -3.21345986 +1 2.09537670 +1 0.3209 H( 758 ALA* 15) 42.75243780 +1 -1.05476727 +1 4.82355569 +1 0.3370 H( 759 ALA* 15) 43.39255260 +1 1.79852260 +1 5.07744640 +1 0.1555 H( 760 ALA 15) 44.64950600 +1 -0.69078664 +1 6.44531322 +1 0.2022 H( 761 ALA 15) 43.08876401 +1 -0.07164680 +1 6.93821109 +1 0.1957 H( 762 ALA 15) 44.52505496 +1 0.95408013 +1 7.10976967 +1 0.1882 H( 763 PRO* 16) 46.70070870 +1 1.20023743 +1 2.24240924 +1 0.1552 H( 764 PRO 16) 48.28784596 +1 3.47591658 +1 2.55865536 +1 0.1583 H( 765 PRO 16) 46.67086427 +1 3.51950974 +1 1.82704160 +1 0.1412 H( 766 PRO 16) 47.46239132 +1 4.09478124 +1 4.74720196 +1 0.1533 H( 767 PRO 16) 46.49852131 +1 5.10445244 +1 3.70124340 +1 0.1548 H( 768 PRO 16) 45.29500175 +1 3.36361401 +1 5.48499922 +1 0.1727 H( 769 PRO 16) 44.54325788 +1 3.67090938 +1 3.87563635 +1 0.1479 H( 770 PRO* 17) 50.11136777 +1 -0.67509504 +1 4.29301569 +1 0.1849 H( 771 PRO 17) 52.13582743 +1 0.38898663 +1 2.33212418 +1 0.1861 H( 772 PRO 17) 51.57879290 +1 -1.26184728 +1 2.54124394 +1 0.1802 H( 773 PRO 17) 50.87732320 +1 0.28709367 +1 0.31135189 +1 0.1170 H( 774 PRO 17) 49.54322466 +1 2.00317652 +1 1.33321718 +1 0.1674 H( 775 PRO 17) 48.26423873 +1 0.75075164 +1 1.12801411 +1 0.1607 H( 776 PRO 17) 50.34120280 +1 -1.98363800 +1 0.70305148 +1 0.3317 H( 777 GLY* 18) 52.22117777 +1 -0.10995602 +1 5.54281485 +1 0.3252 H( 778 GLY* 18) 53.06559629 +1 1.39398243 +1 7.07490649 +1 0.2134 H( 779 GLY* 18) 51.82485120 +1 2.59917638 +1 6.58837485 +1 0.1953 H( 780 PRO* 19) 55.06435635 +1 4.96601241 +1 4.84603442 +1 0.1522 H( 781 PRO 19) 56.47083798 +1 5.59978316 +1 7.38498352 +1 0.1623 H( 782 PRO 19) 55.38764671 +1 6.63732586 +1 6.47072399 +1 0.1444 H( 783 PRO 19) 54.75285542 +1 5.53521268 +1 8.97851226 +1 0.1590 H( 784 PRO 19) 53.56735472 +1 6.14517622 +1 7.83801925 +1 0.1637 H( 785 PRO 19) 54.29417699 +1 3.25021269 +1 8.42058883 +1 0.1462 H( 786 PRO 19) 52.74538763 +1 3.92858087 +1 7.86380600 +1 0.1543 H( 787 PRO* 20) 58.51597851 +1 2.28008090 +1 4.22336492 +1 0.1880 H( 788 PRO 20) 60.39729251 +1 4.71444461 +1 4.41557498 +1 0.1870 H( 789 PRO 20) 60.24310627 +1 3.52759335 +1 3.12107988 +1 0.1643 H( 790 PRO 20) 59.17918310 +1 5.97282113 +1 2.71817939 +1 0.1063 H( 791 PRO 20) 57.96892233 +1 6.17662151 +1 4.85066833 +1 0.1563 H( 792 PRO 20) 56.66385849 +1 5.62954189 +1 3.72713214 +1 0.1651 H( 793 PRO 20) 58.60968990 +1 4.36923810 +1 1.23802936 +1 0.3492 H( 794 GLY* 21) 60.46164439 +1 1.34964396 +1 5.37914854 +1 0.3253 H( 795 GLY* 21) 61.41318193 +1 0.70601354 +1 7.39137296 +1 0.2204 H( 796 GLY* 21) 60.31432266 +1 1.80330528 +1 8.29300277 +1 0.2090 H( 797 PRO* 22) 63.75014568 +1 4.57914139 +1 8.47527754 +1 0.1634 H( 798 PRO 22) 65.32785610 +1 3.58148318 +1 10.59144596 +1 0.1503 H( 799 PRO 22) 63.69840257 +1 4.22556737 +1 10.82333635 +1 0.1485 H( 800 PRO 22) 64.65012889 +1 1.38688137 +1 10.85042858 +1 0.1515 H( 801 PRO 22) 63.21039752 +1 2.06787161 +1 11.60932806 +1 0.1576 H( 802 PRO 22) 63.40126164 +1 0.60639850 +1 9.05517057 +1 0.1662 H( 803 PRO 22) 61.90782559 +1 1.24093353 +1 9.83226888 +1 0.1515 H( 804 PRO* 23) 67.36780380 +1 3.56054058 +1 6.14436071 +1 0.1980 H( 805 PRO 23) 69.09771926 +1 4.73121711 +1 8.42223539 +1 0.1808 H( 806 PRO 23) 69.03902805 +1 5.19649716 +1 6.71884325 +1 0.1541 H( 807 PRO 23) 67.80523222 +1 6.83958753 +1 8.46963948 +1 0.1135 H( 808 PRO 23) 66.69710781 +1 5.02030635 +1 9.77751210 +1 0.1691 H( 809 PRO 23) 65.37091397 +1 5.72571873 +1 8.77667955 +1 0.1585 H( 810 PRO 23) 67.27159191 +1 6.99174224 +1 6.22834199 +1 0.3517 H( 811 GLY* 24) 69.07099872 +1 1.89709342 +1 6.12539677 +1 0.3312 H( 812 GLY* 24) 69.91441421 +1 -0.12520449 +1 6.84625413 +1 0.2297 H( 813 GLY* 24) 68.83170837 +1 -0.07025046 +1 8.27095878 +1 0.1967 H( 814 PRO* 25) 72.38630066 +1 0.87517539 +1 10.67834478 +1 0.1816 H( 815 PRO 25) 73.70485726 +1 -1.54438050 +1 11.03209072 +1 0.1719 H( 816 PRO 25) 72.07188762 +1 -1.26316712 +1 11.62034210 +1 0.1676 H( 817 PRO 25) 72.96906415 +1 -2.65777342 +1 9.04259942 +1 0.1405 H( 818 PRO 25) 71.74643745 +1 -3.18858715 +1 10.19761046 +1 0.1631 H( 819 PRO 25) 71.10133507 +1 -1.84528644 +1 7.79977313 +1 0.1690 H( 820 PRO 25) 70.05929164 +1 -1.79023187 +1 9.25591894 +1 0.1648 H( 821 PRO* 26) 75.90938316 +1 2.10939941 +1 8.19054122 +1 0.1929 H( 822 PRO 26) 77.85631361 +1 2.53690347 +1 9.60813076 +1 0.2002 H( 823 PRO 26) 77.65691228 +1 1.08448996 +1 10.56359122 +1 0.2024 H( 824 PRO 26) 76.53245283 +1 2.86821849 +1 11.97509521 +1 0.1554 H( 825 PRO 26) 74.86039927 +1 1.07886149 +1 11.85221184 +1 0.1742 H( 826 PRO 26) 73.94787870 +1 2.41045902 +1 11.07468876 +1 0.1440 H( 827 PRO 26) 75.95627624 +1 3.88144090 +1 9.38221709 +1 0.3258 H( 828 GLY* 27) 77.77439008 +1 1.39514709 +1 6.99101267 +1 0.3209 H( 829 GLY* 27) 78.32649451 +1 -0.25837864 +1 5.42887970 +1 0.2032 H( 830 GLY* 27) 77.43366876 +1 -1.48897767 +1 6.36063547 +1 0.2064 H( 831 PRO* 28) 81.12120895 +1 -3.22883825 +1 8.03057829 +1 0.1590 H( 832 PRO 28) 82.41760789 +1 -3.10869289 +1 5.22721930 +1 0.1619 H( 833 PRO 28) 82.35955553 +1 -4.46660508 +1 6.33844440 +1 0.1549 H( 834 PRO 28) 80.60525273 +1 -4.45540336 +1 4.30072557 +1 0.1608 H( 835 PRO 28) 80.02019815 +1 -4.92081038 +1 5.89676132 +1 0.1641 H( 836 PRO 28) 79.63664198 +1 -2.22091822 +1 4.46285906 +1 0.1585 H( 837 PRO 28) 78.50106736 +1 -3.12652819 +1 5.47808422 +1 0.1448 H( 838 PRO 29) 83.70852499 +1 0.37387581 +1 8.85906933 +1 0.1567 H( 839 PRO 29) 85.13847512 +1 0.67386986 +1 6.97482437 +1 0.1509 H( 840 PRO 29) 85.95225863 +1 -0.88535869 +1 9.94807886 +1 0.1624 H( 841 PRO 29) 84.40115999 +1 -0.92692260 +1 10.78048735 +1 0.1889 H( 842 PRO* 29) 85.44223716 +1 -3.03747089 +1 8.71945503 +1 0.1334 H( 843 PRO* 29) 83.02887333 +1 -3.71923663 +1 8.65775684 +1 0.1457 H( 844 PRO* 29) 82.62430094 +1 -2.66378755 +1 10.04462594 +1 0.1790 H( 845+PRO* 29) 85.98263036 +1 -3.59617855 +1 10.82796435 +1 0.3207 H( 846 PRO* 31) 2.07240697 +1 -3.07368914 +1 1.28993302 +1 0.2304 H( 847 PRO* 31) 2.01723052 +1 -2.41755230 +1 3.96771869 +1 0.1732 H( 848 PRO 31) 0.63237141 +1 -4.79930048 +1 4.54607035 +1 0.1472 H( 849 PRO 31) -0.05098563 +1 -3.16875207 +1 4.64673823 +1 0.1511 H( 850 PRO 31) -0.34939808 +1 -5.23347022 +1 2.44172644 +1 0.1480 H( 851 PRO 31) -1.52583005 +1 -4.02444463 +1 2.97181921 +1 0.1350 H( 852 PRO 31) 0.02426422 +1 -3.76483032 +1 0.65741950 +1 0.1206 H( 853 PRO 31) -0.63426645 +1 -2.36160994 +1 1.54471715 +1 0.1337 H( 854 PRO* 32) 3.63162189 +1 -3.93370659 +1 5.97256785 +1 0.1804 H( 855 PRO 32) 6.40028397 +1 -3.16331755 +1 4.80952936 +1 0.1540 H( 856 PRO 32) 5.96209733 +1 -3.92578995 +1 6.37741004 +1 0.2580 H( 857 PRO 32) 6.92535706 +1 -5.57210847 +1 4.51070142 +1 0.1363 H( 858 PRO 32) 5.37253435 +1 -5.05413396 +1 2.62276144 +1 0.1601 H( 859 PRO 32) 4.46719402 +1 -6.34403268 +1 3.45019647 +1 0.1796 H( 860 PRO 32) 4.65840894 +1 -6.01162039 +1 6.18422188 +1 0.3287 H( 861 GLY* 33) 5.43198693 +1 -1.65100621 +1 3.66803510 +1 0.3026 H( 862 GLY* 33) 4.70391782 +1 0.73008157 +1 5.22056114 +1 0.2119 H( 863 GLY* 33) 3.66353683 +1 0.50684645 +1 3.78302466 +1 0.1813 H( 864 PRO* 34) 7.27896022 +1 1.85916190 +1 1.48845407 +1 0.1681 H( 865 PRO 34) 8.26867737 +1 4.24116547 +1 3.05891001 +1 0.1778 H( 866 PRO 34) 7.45843843 +1 4.22752635 +1 1.50170973 +1 0.1578 H( 867 PRO 34) 6.21433128 +1 5.15679388 +1 3.75906778 +1 0.1711 H( 868 PRO 34) 5.28831186 +1 4.36866515 +1 2.47432753 +1 0.1513 H( 869 PRO 34) 6.35037424 +1 3.13452620 +1 5.10321970 +1 0.1664 H( 870 PRO 34) 4.70753382 +1 2.97743046 +1 4.38490920 +1 0.1432 H( 871 PRO* 35) 10.78594257 +1 -0.03278981 +1 3.47874321 +1 0.2131 H( 872 PRO 35) 12.47281560 +1 -0.18504953 +1 1.77574176 +1 0.1751 H( 873 PRO 35) 12.46299540 +1 1.53945425 +1 1.41065152 +1 0.1816 H( 874 PRO 35) 11.13740295 +1 0.50889122 +1 -0.44833968 +1 0.1157 H( 875 PRO 35) 10.05606042 +1 2.54969855 +1 0.57070637 +1 0.1649 H( 876 PRO 35) 8.72309031 +1 1.33195553 +1 0.46806005 +1 0.1633 H( 877 PRO 35) 10.48390374 +1 -1.48085688 +1 0.25877039 +1 0.3271 H( 878 GLY* 36) 12.51039987 +1 0.46763180 +1 4.96940288 +1 0.3145 H( 879 GLY* 36) 13.40679242 +1 1.80064537 +1 6.63585955 +1 0.2281 H( 880 GLY* 36) 12.38917581 +1 3.17743371 +1 6.09588979 +1 0.1725 H( 881 PRO* 37) 15.95695637 +1 5.15715880 +1 4.38292517 +1 0.1428 H( 882 PRO 37) 17.25925132 +1 5.31406113 +1 7.17490079 +1 0.1854 H( 883 PRO 37) 16.84162065 +1 6.61300953 +1 6.06435788 +1 0.1339 H( 884 PRO 37) 15.29583652 +1 6.19485942 +1 8.22016418 +1 0.1780 H( 885 PRO 37) 14.47113240 +1 6.51370153 +1 6.68428718 +1 0.1196 H( 886 PRO 37) 15.14630735 +1 3.75388462 +1 7.95236091 +1 0.1701 H( 887 PRO 37) 13.55366785 +1 4.31168936 +1 7.38731019 +1 0.1191 H( 888 PRO* 38) 19.20031377 +1 2.26782460 +1 3.73583216 +1 0.1901 H( 889 PRO 38) 21.12593296 +1 4.69539130 +1 3.74922392 +1 0.1827 H( 890 PRO 38) 20.96936866 +1 3.40685145 +1 2.55548645 +1 0.1758 H( 891 PRO 38) 19.82444934 +1 5.75665371 +1 1.91349115 +1 0.1159 H( 892 PRO 38) 18.93894492 +1 6.16311732 +1 4.24816374 +1 0.1801 H( 893 PRO 38) 17.48276890 +1 5.73418463 +1 3.28267723 +1 0.1473 H( 894 PRO 38) 19.03664215 +1 4.00023228 +1 0.73114995 +1 0.3186 H( 895 GLY* 39) 21.15560716 +1 1.37323307 +1 4.81223345 +1 0.3230 H( 896 GLY* 39) 22.12293699 +1 0.67081719 +1 6.76855901 +1 0.2351 H( 897 GLY* 39) 21.03737297 +1 1.73666264 +1 7.70416573 +1 0.2090 H( 898 PRO* 40) 24.39474274 +1 4.43423558 +1 8.47430114 +1 0.1467 H( 899 PRO 40) 25.79585661 +1 2.66096358 +1 10.39921826 +1 0.1363 H( 900 PRO 40) 24.66908770 +1 3.96356497 +1 10.75718116 +1 0.1414 H( 901 PRO 40) 24.06140815 +1 1.25013090 +1 11.15681107 +1 0.1620 H( 902 PRO 40) 22.85071045 +1 2.52141261 +1 10.98384423 +1 0.1800 H( 903 PRO 40) 23.80395406 +1 0.51370865 +1 8.88616434 +1 0.1520 H( 904 PRO 40) 22.15016213 +1 1.18132292 +1 9.18465281 +1 0.1700 H( 905 PRO* 41) 27.98202140 +1 3.58550185 +1 6.07164612 +1 0.2027 H( 906 PRO 41) 29.78236477 +1 4.77243753 +1 8.26474866 +1 0.1755 H( 907 PRO 41) 29.65258569 +1 5.20821977 +1 6.55790823 +1 0.1589 H( 908 PRO 41) 28.45443926 +1 6.87416688 +1 8.33680433 +1 0.1053 H( 909 PRO 41) 27.37666394 +1 5.07122884 +1 9.67640381 +1 0.1775 H( 910 PRO 41) 26.02628101 +1 5.72132291 +1 8.66680156 +1 0.1501 H( 911 PRO 41) 28.04401579 +1 7.14324389 +1 6.14009909 +1 0.3477 H( 912 GLY* 42) 29.52119743 +1 1.81416079 +1 5.83608650 +1 0.3298 H( 913 GLY* 42) 30.49991595 +1 -0.16705197 +1 6.49204035 +1 0.1994 H( 914 GLY* 42) 29.36481371 +1 -0.22728819 +1 7.86713542 +1 0.1884 H( 915 PRO* 43) 32.98532957 +1 0.73305956 +1 10.37237098 +1 0.1525 H( 916 PRO 43) 34.22407005 +1 -1.70373639 +1 10.77944241 +1 0.1640 H( 917 PRO 43) 32.56213992 +1 -1.47805832 +1 11.31264942 +1 0.1600 H( 918 PRO 43) 33.54856565 +1 -2.74408042 +1 8.67766820 +1 0.1507 H( 919 PRO 43) 32.43075476 +1 -3.43548817 +1 9.83926059 +1 0.1572 H( 920 PRO 43) 31.50368274 +1 -2.04086696 +1 7.62082332 +1 0.1475 H( 921 PRO 43) 30.61609939 +1 -1.95538171 +1 9.17203310 +1 0.1196 H( 922 PRO* 44) 36.80827054 +1 1.22934083 +1 7.84632627 +1 0.1900 H( 923 PRO 44) 38.51004654 +1 1.87674714 +1 9.38863898 +1 0.1723 H( 924 PRO 44) 38.47864622 +1 0.33830955 +1 10.25515565 +1 0.1793 H( 925 PRO 44) 37.35353619 +1 1.74050432 +1 11.90471273 +1 0.1123 H( 926 PRO 44) 35.75962135 +1 -0.01656228 +1 11.49968605 +1 0.1603 H( 927 PRO 44) 34.74964884 +1 1.41753447 +1 11.09523400 +1 0.1629 H( 928 PRO 44) 37.44589340 +1 3.67883831 +1 10.59048738 +1 0.3491 H( 929 ALA* 45) 38.68021201 +1 -0.10349177 +1 6.85582133 +1 0.3347 H( 930 ALA* 45) 38.14512972 +1 -3.00993927 +1 6.72586312 +1 0.1430 H( 931 ALA 45) 40.37211205 +1 -1.16701440 +1 5.50076031 +1 0.1765 H( 932 ALA 45) 40.09768648 +1 -2.88413401 +1 5.07355634 +1 0.1480 H( 933 ALA 45) 38.87231436 +1 -1.64315992 +1 4.69825193 +1 0.1871 H( 934 PRO* 46) 40.84095821 +1 -3.67143735 +1 10.14856727 +1 0.1548 H( 935 PRO 46) 42.56834672 +1 -5.84746813 +1 8.98414776 +1 0.1508 H( 936 PRO 46) 41.32969148 +1 -5.97472496 +1 10.23548289 +1 0.1471 H( 937 PRO 46) 41.01064418 +1 -6.98107478 +1 7.65197959 +1 0.1604 H( 938 PRO 46) 39.66042555 +1 -6.54740937 +1 8.70135622 +1 0.1489 H( 939 PRO 46) 40.82727667 +1 -4.98115002 +1 6.35290090 +1 0.1559 H( 940 PRO 46) 39.13250625 +1 -5.06475188 +1 6.92392804 +1 0.1255 H( 941 PRO* 47) 44.70578979 +1 -1.64152338 +1 10.34724905 +1 0.1719 H( 942 PRO 47) 46.23599779 +1 -2.67275327 +1 11.93759106 +1 0.1765 H( 943 PRO 47) 46.07834234 +1 -4.28675142 +1 11.25282810 +1 0.2001 H( 944 PRO 47) 44.54133501 +1 -4.29951024 +1 13.26622760 +1 0.1507 H( 945 PRO 47) 43.51022940 +1 -5.29930469 +1 11.20592624 +1 0.1773 H( 946 PRO 47) 42.27280744 +1 -4.11060397 +1 11.74844086 +1 0.1490 H( 947 PRO 47) 43.59745452 +1 -1.78161004 +1 12.28310572 +1 0.3260 H( 948 GLY* 48) 46.00791989 +1 -1.00770331 +1 8.72295464 +1 0.3237 H( 949 GLY* 48) 47.14847061 +1 -0.99692867 +1 6.75100005 +1 0.2477 H( 950 GLY* 48) 46.37316062 +1 -2.56750671 +1 6.35145949 +1 0.1897 H( 951 PRO* 49) 50.19715505 +1 -4.69901404 +1 6.69166868 +1 0.1479 H( 952 PRO 49) 51.23569750 +1 -4.54244453 +1 4.11005710 +1 0.1624 H( 953 PRO 49) 49.77102150 +1 -5.44597459 +1 4.49484760 +1 0.1587 H( 954 PRO 49) 49.99607826 +1 -2.56569109 +1 3.42744090 +1 0.1496 H( 955 PRO 49) 48.98848077 +1 -3.86690430 +1 2.79309066 +1 0.1669 H( 956 PRO 49) 47.92029115 +1 -2.00721806 +1 4.50719573 +1 0.1576 H( 957 PRO 49) 47.40246702 +1 -3.72315785 +1 4.60427849 +1 0.1423 H( 958 PRO* 50) 53.11036927 +1 -1.65057536 +1 7.51480408 +1 0.1865 H( 959 PRO 50) 55.61060183 +1 -3.06195655 +1 7.43567083 +1 0.1819 H( 960 PRO 50) 54.55714633 +1 -2.86141988 +1 8.81981257 +1 0.1929 H( 961 PRO 50) 55.00047762 +1 -5.36441425 +1 7.24670062 +1 0.1323 H( 962 PRO 50) 52.84634219 +1 -5.55891687 +1 6.24090980 +1 0.1697 H( 963 PRO 50) 52.09511276 +1 -5.26120531 +1 7.84679960 +1 0.1702 H( 964 PRO 50) 53.44250137 +1 -5.00350283 +1 9.62281253 +1 0.3332 H( 965 GLY* 51) 54.96540112 +1 -0.33875061 +1 6.66719840 +1 0.3220 H( 966 GLY* 51) 55.64189431 +1 0.86527699 +1 4.79539390 +1 0.2202 H( 967 GLY* 51) 54.54650698 +1 -0.10914801 +1 3.76232303 +1 0.1879 H( 968 PRO* 52) 58.13863604 +1 -2.20553540 +1 2.24981107 +1 0.1548 H( 969 PRO 52) 59.29032585 +1 -0.42952571 +1 0.47362332 +1 0.1520 H( 970 PRO 52) 57.59788100 +1 -0.88280437 +1 0.26552944 +1 0.1582 H( 971 PRO 52) 58.70263740 +1 1.52286530 +1 1.89604130 +1 0.1573 H( 972 PRO 52) 57.62500054 +1 1.61571751 +1 0.51593722 +1 0.1590 H( 973 PRO 52) 56.53462288 +1 1.58977097 +1 2.99016349 +1 0.1751 H( 974 PRO 52) 55.75904170 +1 0.56944301 +1 1.74427019 +1 0.1421 H( 975 PRO* 53) 61.74360778 +1 -1.52664637 +1 4.61369668 +1 0.2128 H( 976 PRO 53) 63.69638170 +1 -2.50235550 +1 3.64895130 +1 0.1756 H( 977 PRO 53) 63.60157083 +1 -1.59664539 +1 2.14249147 +1 0.1768 H( 978 PRO 53) 62.67361668 +1 -3.80867224 +1 1.48907204 +1 0.1107 H( 979 PRO 53) 61.15095022 +1 -2.00684389 +1 0.74065094 +1 0.1591 H( 980 PRO 53) 60.04277556 +1 -3.13638084 +1 1.61294227 +1 0.1598 H( 981 PRO 53) 62.57955868 +1 -4.46773427 +1 3.78448964 +1 0.3503 H( 982 GLY* 54) 63.46596383 +1 -0.01768138 +1 5.33447692 +1 0.3336 H( 983 GLY* 54) 64.04144937 +1 2.20115531 +1 5.68853009 +1 0.2319 H( 984 GLY* 54) 62.94316900 +1 2.74571659 +1 4.38528894 +1 0.1775 H( 985 PRO* 55) 66.41970043 +1 2.70146866 +1 1.68798977 +1 0.1386 H( 986 PRO 55) 67.77596973 +1 5.11717704 +1 2.05059504 +1 0.1450 H( 987 PRO 55) 66.10575086 +1 5.06854697 +1 1.46677477 +1 0.1675 H( 988 PRO 55) 67.12856432 +1 5.55922208 +1 4.31887800 +1 0.1385 H( 989 PRO 55) 65.88665628 +1 6.44830923 +1 3.43960302 +1 0.1650 H( 990 PRO 55) 65.32307347 +1 4.42591351 +1 5.31895601 +1 0.1671 H( 991 PRO 55) 64.19095351 +1 4.85498624 +1 3.99011279 +1 0.1564 H( 992 PRO* 56) 70.00473636 +1 0.92348420 +1 3.37889836 +1 0.2007 H( 993 PRO 56) 72.01113076 +1 2.76457782 +1 1.96379009 +1 0.1776 H( 994 PRO 56) 71.83668686 +1 1.00943364 +1 1.89622753 +1 0.1762 H( 995 PRO 56) 70.95783895 +1 2.51145662 +1 -0.20769350 +1 0.1035 H( 996 PRO 56) 69.53387895 +1 4.07786936 +1 1.01426386 +1 0.1569 H( 997 PRO 56) 68.33914415 +1 2.85038149 +1 0.47483587 +1 0.1609 H( 998 PRO 56) 70.45989459 +1 0.33438067 +1 -0.32074087 +1 0.3437 H( 999 GLY* 57) 71.84794217 +1 1.00453001 +1 4.84931552 +1 0.3351 H( 1000 GLY* 57) 72.66558552 +1 1.74752223 +1 6.85485564 +1 0.2172 H( 1001 GLY* 57) 71.56700784 +1 3.16967655 +1 6.82566646 +1 0.1978 H( 1002 PRO* 58) 74.96967882 +1 5.70444153 +1 5.76868966 +1 0.1725 H( 1003 PRO 58) 75.97880056 +1 5.43866613 +1 8.66748928 +1 0.1597 H( 1004 PRO 58) 75.47105694 +1 6.87743063 +1 7.79943932 +1 0.1541 H( 1005 PRO 58) 73.77772734 +1 5.83563526 +1 9.60933990 +1 0.1582 H( 1006 PRO 58) 73.08896843 +1 6.36116100 +1 8.06370119 +1 0.1778 H( 1007 PRO 58) 73.96043572 +1 3.48488667 +1 8.84913045 +1 0.1512 H( 1008 PRO 58) 72.38005985 +1 4.00191445 +1 8.19705499 +1 0.1863 H( 1009 PRO* 59) 78.69610763 +1 3.85681053 +1 4.55743708 +1 0.2008 H( 1010 PRO 59) 80.15683124 +1 5.66257272 +1 3.91874532 +1 0.1807 H( 1011 PRO 59) 79.99864668 +1 6.53958609 +1 5.46121606 +1 0.1734 H( 1012 PRO 59) 78.43917239 +1 7.75472421 +1 3.95175591 +1 0.1386 H( 1013 PRO 59) 77.40450892 +1 7.20725901 +1 6.14645498 +1 0.1645 H( 1014 PRO 59) 76.17016919 +1 6.61067601 +1 4.96110164 +1 0.1844 H( 1015 PRO 59) 77.53574697 +1 6.79551179 +1 2.29555456 +1 0.3220 H( 1016 GLY* 60) 80.62032272 +1 2.80715113 +1 4.98545403 +1 0.3171 H( 1017 GLY* 60) 81.71051798 +1 2.90644096 +1 7.81181462 +1 0.1973 H( 1018 GLY* 60) 81.39383994 +1 1.39519550 +1 6.91897676 +1 0.2121 H( 1019 GLY* 60) 83.47445563 +1 3.56107957 +1 5.96703483 +1 0.1212 H( 1020 PRO* 61) 2.79631446 +1 -3.19531244 +1 6.79550893 +1 0.2176 H( 1021 PRO* 61) 4.39646070 +1 -2.07123866 +1 7.70521406 +1 0.1364 H( 1022 PRO 61) 3.46591420 +1 -0.14991273 +1 8.57812679 +1 0.1383 H( 1023 PRO 61) 2.86571717 +1 -0.96512376 +1 10.02597808 +1 0.1390 H( 1024 PRO 61) 1.52320732 +1 -0.63385239 +1 7.33513556 +1 0.1649 H( 1025 PRO 61) 0.77583607 +1 -0.71881555 +1 8.93408209 +1 0.1197 H( 1026 PRO 61) 0.94820809 +1 -3.13370266 +1 9.02383813 +1 0.1335 H( 1027 PRO 61) 0.61976745 +1 -2.87195209 +1 7.29471439 +1 0.1234 H( 1028 PRO* 62) 5.62282955 +1 -0.44005439 +1 9.40889625 +1 0.1693 H( 1029 PRO 62) 8.37396988 +1 -1.00415307 +1 9.66756131 +1 0.1720 H( 1030 PRO 62) 7.34436551 +1 -0.47217694 +1 11.01604134 +1 0.1745 H( 1031 PRO 62) 8.17753727 +1 -3.36078144 +1 10.30423904 +1 0.1279 H( 1032 PRO 62) 6.01634542 +1 -4.17664318 +1 11.21571456 +1 0.1735 H( 1033 PRO 62) 5.78211006 +1 -2.68165922 +1 12.15455775 +1 0.1555 H( 1034 PRO 62) 8.67201096 +1 -3.34941163 +1 12.46592555 +1 0.3322 H( 1035 GLY* 63) 7.01356953 +1 0.16800803 +1 7.41901616 +1 0.3238 H( 1036 GLY* 63) 7.68980558 +1 -0.21687387 +1 5.23990295 +1 0.2080 H( 1037 GLY* 63) 6.65760577 +1 -1.70104311 +1 5.21480543 +1 0.1824 H( 1038 PRO* 64) 10.21283580 +1 -4.15694562 +1 5.70592209 +1 0.1528 H( 1039 PRO 64) 11.51142569 +1 -4.39595638 +1 3.28060517 +1 0.1550 H( 1040 PRO 64) 9.82943102 +1 -4.90652685 +1 3.41419274 +1 0.1610 H( 1041 PRO 64) 10.87734466 +1 -2.12264200 +1 2.53315707 +1 0.1622 H( 1042 PRO 64) 9.81809395 +1 -3.19832539 +1 1.60543793 +1 0.1563 H( 1043 PRO 64) 8.73616183 +1 -1.21300354 +1 3.13245355 +1 0.1568 H( 1044 PRO 64) 7.92080645 +1 -2.80005278 +1 3.08630495 +1 0.1366 H( 1045 PRO* 65) 13.68606692 +1 -1.71936473 +1 7.00445318 +1 0.1933 H( 1046 PRO 65) 15.54255452 +1 -3.95491042 +1 5.95968202 +1 0.1881 H( 1047 PRO 65) 15.47514142 +1 -3.21170550 +1 7.55670515 +1 0.1855 H( 1048 PRO 65) 14.32797985 +1 -5.64278992 +1 7.31919577 +1 0.1082 H( 1049 PRO 65) 13.12530508 +1 -5.18631567 +1 5.18523135 +1 0.1460 H( 1050 PRO 65) 11.84204113 +1 -5.06219321 +1 6.43767522 +1 0.1573 H( 1051 PRO 65) 13.91814050 +1 -4.23575978 +1 9.10466913 +1 0.3624 H( 1052 GLY* 66) 15.29872266 +1 -0.32052573 +1 6.09721292 +1 0.3267 H( 1053 GLY* 66) 16.22463243 +1 0.95868795 +1 4.43315550 +1 0.2349 H( 1054 GLY* 66) 15.18636915 +1 0.16424145 +1 3.22925133 +1 0.1772 H( 1055 PRO* 67) 18.70697695 +1 -2.26057509 +1 1.95881117 +1 0.1539 H( 1056 PRO 67) 19.98850849 +1 -0.60084782 +1 0.09796729 +1 0.1871 H( 1057 PRO 67) 18.31552299 +1 -1.11339460 +1 -0.14970001 +1 0.1530 H( 1058 PRO 67) 19.35860475 +1 1.47911044 +1 1.15896480 +1 0.1542 H( 1059 PRO 67) 18.20506918 +1 1.34506766 +1 -0.16654785 +1 0.1481 H( 1060 PRO 67) 17.35017112 +1 1.65427258 +1 2.44003778 +1 0.1642 H( 1061 PRO 67) 16.40095777 +1 0.66851721 +1 1.29940649 +1 0.1379 H( 1062 PRO* 68) 22.36256921 +1 -1.65280340 +1 4.22238287 +1 0.2036 H( 1063 PRO 68) 24.23086371 +1 -1.89842770 +1 1.81862697 +1 0.1810 H( 1064 PRO 68) 24.12095597 +1 -2.89253825 +1 3.26612406 +1 0.1637 H( 1065 PRO 68) 23.17641756 +1 -3.84760143 +1 0.85781370 +1 0.1171 H( 1066 PRO 68) 21.57665703 +1 -2.05513571 +1 0.33762048 +1 0.1722 H( 1067 PRO 68) 20.52256396 +1 -3.21386519 +1 1.22947422 +1 0.1565 H( 1068 PRO 68) 22.86260080 +1 -4.93302867 +1 2.98789004 +1 0.3234 H( 1069 GLY* 69) 23.77077957 +1 -0.11181914 +1 4.95901835 +1 0.3382 H( 1070 GLY* 69) 24.45051588 +1 2.07080331 +1 5.22240617 +1 0.2456 H( 1071 GLY* 69) 23.42822050 +1 2.57972654 +1 3.84612444 +1 0.2001 H( 1072 PRO* 70) 27.07003690 +1 2.66102603 +1 1.42590615 +1 0.1496 H( 1073 PRO 70) 28.34290553 +1 5.07154014 +1 2.12712801 +1 0.1517 H( 1074 PRO 70) 26.80878830 +1 4.97789488 +1 1.26224300 +1 0.1550 H( 1075 PRO 70) 27.31294874 +1 5.53648831 +1 4.21969692 +1 0.1588 H( 1076 PRO 70) 26.08245083 +1 6.23493289 +1 3.16512446 +1 0.1646 H( 1077 PRO 70) 25.64655997 +1 4.11832983 +1 5.01006149 +1 0.1721 H( 1078 PRO 70) 24.56281757 +1 4.48443382 +1 3.63651654 +1 0.1426 H( 1079 PRO* 71) 30.72002423 +1 0.71466757 +1 2.80149240 +1 0.1974 H( 1080 PRO 71) 32.37339535 +1 1.04589852 +1 1.11081875 +1 0.1648 H( 1081 PRO 71) 32.26778896 +1 2.81839691 +1 1.15390519 +1 0.1772 H( 1082 PRO 71) 30.96776019 +1 2.29412078 +1 -0.86676015 +1 0.1065 H( 1083 PRO 71) 29.61275072 +1 3.75971974 +1 0.51097402 +1 0.1836 H( 1084 PRO 71) 28.47563671 +1 2.37405694 +1 0.26795180 +1 0.1778 H( 1085 PRO 71) 30.85421412 +1 0.06594167 +1 -0.72952970 +1 0.3473 H( 1086 GLY* 72) 32.39139529 +1 0.86104252 +1 4.37932022 +1 0.3388 H( 1087 GLY* 72) 33.35052342 +1 1.71211898 +1 6.24555459 +1 0.2447 H( 1088 GLY* 72) 32.08264265 +1 2.96209711 +1 6.28725625 +1 0.2017 H( 1089 PRO* 73) 35.07277475 +1 5.93750388 +1 5.18403613 +1 0.1498 H( 1090 PRO 73) 36.25810009 +1 6.70686462 +1 7.56973948 +1 0.1484 H( 1091 PRO 73) 34.53346933 +1 6.97875777 +1 7.25722099 +1 0.1644 H( 1092 PRO 73) 35.84462032 +1 4.60363576 +1 8.74833206 +1 0.1653 H( 1093 PRO 73) 34.54056659 +1 5.64596894 +1 9.32772219 +1 0.1566 H( 1094 PRO 73) 33.97583721 +1 3.23643695 +1 8.14244221 +1 0.1537 H( 1095 PRO 73) 32.90220248 +1 4.63305841 +1 7.85933105 +1 0.1465 H( 1096 PRO* 74) 39.19914078 +1 4.36261087 +1 4.31834897 +1 0.1299 H( 1097 PRO 74) 40.52926298 +1 6.35195884 +1 3.85732151 +1 0.1800 H( 1098 PRO 74) 40.13308417 +1 7.09833459 +1 5.39414977 +1 0.1824 H( 1099 PRO 74) 38.66896721 +1 8.37042765 +1 3.92459798 +1 0.1233 H( 1100 PRO 74) 37.14451673 +1 7.56223534 +1 5.58702192 +1 0.1504 H( 1101 PRO 74) 36.41228526 +1 6.77162083 +1 4.14981955 +1 0.1648 H( 1102 PRO 74) 39.17212464 +1 6.75056644 +1 2.07647771 +1 0.3536 H( 1103 ALA* 75) 41.11098028 +1 3.70031733 +1 5.52010690 +1 0.3435 H( 1104 ALA* 75) 40.79250663 +1 3.70473144 +1 8.53308639 +1 0.1522 H( 1105 ALA 75) 42.07530916 +1 1.51065471 +1 8.17242109 +1 0.1554 H( 1106 ALA 75) 40.53287307 +1 1.47900958 +1 7.32767930 +1 0.1917 H( 1107 ALA 75) 42.01690359 +1 1.75838065 +1 6.40798672 +1 0.1933 H( 1108 PRO* 76) 44.76489590 +1 5.75055813 +1 8.45240252 +1 0.1690 H( 1109 PRO 76) 45.89856015 +1 4.04029630 +1 10.65084854 +1 0.1634 H( 1110 PRO 76) 45.32622441 +1 5.69284062 +1 10.75113902 +1 0.1576 H( 1111 PRO 76) 43.95827937 +1 3.60211770 +1 11.90937505 +1 0.1726 H( 1112 PRO 76) 43.11811669 +1 5.04177876 +1 11.31667536 +1 0.1567 H( 1113 PRO 76) 43.47846842 +1 2.32653322 +1 9.89990121 +1 0.1541 H( 1114 PRO 76) 41.99020878 +1 3.31457187 +1 10.05692981 +1 0.1436 H( 1115 PRO* 77) 47.73008229 +1 3.30556258 +1 6.21323817 +1 0.1814 H( 1116 PRO 77) 50.02745228 +1 4.55809694 +1 7.84205596 +1 0.1754 H( 1117 PRO 77) 49.85754729 +1 4.38765991 +1 6.09180988 +1 0.1842 H( 1118 PRO 77) 49.35520987 +1 6.84780182 +1 7.31727407 +1 0.1211 H( 1119 PRO 77) 47.58516721 +1 6.33271596 +1 8.81947493 +1 0.1545 H( 1120 PRO 77) 46.58193001 +1 6.56033891 +1 7.33586773 +1 0.1421 H( 1121 PRO 77) 49.40306894 +1 6.36321635 +1 5.08282055 +1 0.3430 H( 1122 GLY* 78) 48.96917184 +1 1.39413940 +1 6.48318536 +1 0.3190 H( 1123 GLY* 78) 50.06687541 +1 -0.32765186 +1 7.44621210 +1 0.2291 H( 1124 GLY* 78) 49.05889544 +1 -0.07285571 +1 8.92632002 +1 0.1874 H( 1125 PRO* 79) 52.62493198 +1 1.39527744 +1 10.97887463 +1 0.1795 H( 1126 PRO 79) 53.92789389 +1 -0.86655654 +1 11.85917050 +1 0.1691 H( 1127 PRO 79) 52.23523929 +1 -0.59239469 +1 12.26475108 +1 0.1598 H( 1128 PRO 79) 53.41255016 +1 -2.31094342 +1 10.00406653 +1 0.1473 H( 1129 PRO 79) 52.13829968 +1 -2.75055456 +1 11.14519839 +1 0.1640 H( 1130 PRO 79) 51.65473504 +1 -1.75926900 +1 8.51831009 +1 0.1580 H( 1131 PRO 79) 50.44415659 +1 -1.67698608 +1 9.83453009 +1 0.1534 H( 1132 PRO* 80) 56.13463906 +1 2.09172411 +1 8.45909910 +1 0.2032 H( 1133 PRO 80) 58.05087087 +1 2.71542315 +1 9.79731922 +1 0.2009 H( 1134 PRO 80) 57.97818272 +1 1.28676311 +1 10.80541796 +1 0.1761 H( 1135 PRO 80) 56.95715677 +1 3.04989635 +1 12.28058720 +1 0.1484 H( 1136 PRO 80) 55.44078735 +1 1.08454129 +1 12.24223087 +1 0.1815 H( 1137 PRO 80) 54.33798491 +1 2.40711751 +1 11.72812998 +1 0.1504 H( 1138 PRO 80) 55.94684656 +1 3.99082485 +1 9.78032739 +1 0.3286 H( 1139 GLY* 81) 57.78205385 +1 1.09855851 +1 7.21240062 +1 0.3292 H( 1140 GLY* 81) 58.50455755 +1 -0.76947572 +1 6.02872558 +1 0.2296 H( 1141 GLY* 81) 57.62739217 +1 -1.86002043 +1 7.16083801 +1 0.1983 H( 1142 PRO* 82) 61.42363423 +1 -2.80409022 +1 9.15115307 +1 0.1501 H( 1143 PRO 82) 62.53968395 +1 -4.16112103 +1 6.64589147 +1 0.1633 H( 1144 PRO 82) 62.24411302 +1 -4.84583538 +1 8.23754886 +1 0.1329 H( 1145 PRO 82) 60.55901335 +1 -5.39503649 +1 6.19357626 +1 0.1580 H( 1146 PRO 82) 59.91006405 +1 -5.18583809 +1 7.80639765 +1 0.1552 H( 1147 PRO 82) 59.94648255 +1 -3.18159368 +1 5.48645706 +1 0.1807 H( 1148 PRO 82) 58.63292034 +1 -3.54285728 +1 6.65547066 +1 0.1474 H( 1149 PRO* 83) 64.57083566 +1 0.16146886 +1 8.20113009 +1 0.2058 H( 1150 PRO 83) 66.65123281 +1 -1.91704760 +1 9.08280487 +1 0.1825 H( 1151 PRO 83) 66.40050427 +1 -0.27083308 +1 9.67385807 +1 0.1992 H( 1152 PRO 83) 65.57598865 +1 -2.42867136 +1 11.19902295 +1 0.1039 H( 1153 PRO 83) 64.08836183 +1 -3.54689572 +1 9.70748101 +1 0.1562 H( 1154 PRO 83) 62.90694477 +1 -2.40170085 +1 10.43384819 +1 0.1601 H( 1155 PRO 83) 65.28831180 +1 -0.22630493 +1 11.80627991 +1 0.3727 H( 1156 GLY* 84) 66.33124837 +1 0.38768271 +1 6.51569478 +1 0.3275 H( 1157 GLY* 84) 66.81786695 +1 -0.04308021 +1 4.28078392 +1 0.2281 H( 1158 GLY* 84) 65.98206929 +1 -1.63065363 +1 4.35601891 +1 0.1810 H( 1159 PRO* 85) 69.83279319 +1 -3.64934032 +1 4.67668299 +1 0.1513 H( 1160 PRO 85) 71.45882746 +1 -3.22614103 +1 2.43969795 +1 0.1609 H( 1161 PRO 85) 69.91376381 +1 -4.06270499 +1 2.31652735 +1 0.1582 H( 1162 PRO 85) 70.49248957 +1 -1.06638385 +1 1.87533068 +1 0.1484 H( 1163 PRO 85) 69.66494822 +1 -2.15519781 +1 0.78219140 +1 0.1511 H( 1164 PRO 85) 68.24763711 +1 -0.51346327 +1 2.45937334 +1 0.1437 H( 1165 PRO 85) 67.62308801 +1 -2.15315137 +1 2.11508190 +1 0.1622 H( 1166 PRO* 86) 73.03290990 +1 -1.44437103 +1 6.69854047 +1 0.1988 H( 1167 PRO 86) 75.12885441 +1 -3.26937917 +1 5.38309920 +1 0.1763 H( 1168 PRO 86) 74.84208420 +1 -2.95846351 +1 7.09175720 +1 0.1916 H( 1169 PRO 86) 73.91512166 +1 -5.35962881 +1 6.11440747 +1 0.1482 H( 1170 PRO 86) 72.85420781 +1 -4.38628552 +1 4.04795588 +1 0.1603 H( 1171 PRO 86) 71.47001748 +1 -4.64446662 +1 5.15136826 +1 0.1552 H( 1172 PRO 86) 72.49517584 +1 -3.52010368 +1 7.75749355 +1 0.3301 H( 1173 GLY* 87) 74.72090613 +1 0.15304675 +1 6.33567294 +1 0.3163 H( 1174 GLY* 87) 75.30540284 +1 2.00544895 +1 5.15297298 +1 0.2154 H( 1175 GLY* 87) 74.23696428 +1 1.51952668 +1 3.77082061 +1 0.2084 H( 1176 PRO* 88) 77.81975754 +1 0.24142259 +1 1.78887610 +1 0.1791 H( 1177 PRO 88) 79.13843407 +1 2.87444530 +1 1.40825527 +1 0.1535 H( 1178 PRO 88) 78.15897529 +1 1.96467927 +1 0.27399588 +1 0.1438 H( 1179 PRO 88) 77.33132141 +1 4.34955929 +1 1.47677683 +1 0.1615 H( 1180 PRO 88) 76.20905034 +1 3.15600773 +1 0.81552100 +1 0.1494 H( 1181 PRO 88) 77.08813796 +1 3.56158500 +1 3.73552663 +1 0.1669 H( 1182 PRO 88) 75.43833280 +1 3.19812903 +1 3.09904730 +1 0.1487 H( 1183 PRO 89) 81.25491991 +1 -0.07673412 +1 4.83054499 +1 0.2093 H( 1184 PRO 89) 83.23203294 +1 1.06414323 +1 3.92118805 +1 0.1481 H( 1185 PRO 89) 82.73321141 +1 -1.79819220 +1 3.21951601 +1 0.1588 H( 1186 PRO 89) 81.27015982 +1 -2.33673592 +1 4.01126455 +1 0.2009 H( 1187 PRO* 89) 81.58934001 +1 -1.41785474 +1 1.07815099 +1 0.1432 H( 1188 PRO* 89) 79.35541516 +1 -0.51419067 +1 1.11589292 +1 0.1539 H( 1189 PRO* 89) 78.85041922 +1 -1.52987852 +1 2.51019278 +1 0.1905 H( 1190 PRO* 89) 81.27341664 +1 -3.64182177 +1 1.32349786 +1 0.3162 H( 1191 O ) 14.79984184 +1 -4.22433705 +1 2.68429757 +1 0.3756 H( 1192 C ) 13.56534613 +1 -7.48509865 +1 4.62459452 +1 0.1966 H( 1193 C ) 14.02311399 +1 -8.04302622 +1 3.00575273 +1 0.2053 H( 1194 C ) 12.67007613 +1 -6.90788863 +1 3.17373735 +1 0.2172 H( 1195 O ) 25.71519080 +1 1.91832114 +1 13.67152524 +1 0.3803 H( 1196 C ) 25.26555218 +1 5.95405219 +1 14.32544166 +1 0.1986 H( 1197 C ) 24.36948967 +1 5.15147737 +1 13.00466319 +1 0.1920 H( 1198 C ) 23.80768698 +1 4.99532597 +1 14.68350401 +1 0.1988 H( 1199 O ) 20.08905550 +1 5.74404621 +1 6.99477028 +1 0.3914 H( 1200 C ) 18.64040883 +1 9.49009957 +1 7.09548518 +1 0.1932 H( 1201 C ) 18.04078388 +1 8.32198647 +1 5.89420858 +1 0.1948 H( 1202 C ) 17.30321784 +1 8.41852331 +1 7.52510769 +1 0.2039 H( 1203 O ) 34.60018343 +1 3.08689995 +1 0.99220371 +1 0.3653 H( 1204 C ) 36.20763457 +1 1.11509244 +1 -0.67541096 +1 0.2023 H( 1205 C ) 34.68347848 +1 0.49060986 +1 -1.31556157 +1 0.2208 H( 1206 C ) 34.82517975 +1 0.89303317 +1 0.39675750 +1 0.1890 H( 1207 O ) 32.16650797 +1 4.33812058 +1 -0.80944585 +1 0.3425 H( 1208 C ) 33.70770281 +1 7.43420747 +1 0.52894842 +1 0.2107 H( 1209 C ) 33.20106456 +1 7.66357326 +1 -1.15359690 +1 0.1910 H( 1210 C ) 32.17749666 +1 8.29087398 +1 0.17067495 +1 0.1873 H( 1211 O ) 16.45381269 +1 2.74273611 +1 15.10318667 +1 0.3463 H( 1212 C ) 13.75662821 +1 2.06200843 +1 12.64916419 +1 0.2325 H( 1213 C ) 13.02698901 +1 2.44450351 +1 14.21002061 +1 0.2064 H( 1214 C ) 13.13181397 +1 3.69439846 +1 12.92640309 +1 0.2233 H( 1215 HOH 201) 12.04503290 +1 -5.44936856 +1 0.01486809 +1 0.3387 H( 1216 HOH 201) 10.74788124 +1 -6.26222895 +1 -0.15282489 +1 0.3095 H( 1217 HOH 202) 15.78749378 +1 -2.10746121 +1 0.91725423 +1 0.3206 H( 1218 HOH 202) 14.67123933 +1 -2.03377233 +1 1.98844336 +1 0.3515 H( 1219 HOH 203) 8.84554095 +1 0.54088840 +1 12.47139241 +1 0.3199 H( 1220 HOH 203) 9.03658484 +1 -0.98630367 +1 12.64427870 +1 0.3492 H( 1221 HOH 204) 13.45266303 +1 -3.19322771 +1 -0.09196415 +1 0.3405 H( 1222 HOH 204) 12.35681094 +1 -3.59218183 +1 0.90306074 +1 0.3207 H( 1223 HOH 205) 16.18993083 +1 -3.77767981 +1 10.15655944 +1 0.3300 H( 1224 HOH 205) 16.33373299 +1 -4.91221860 +1 9.15165907 +1 0.3379 H( 1225 HOH 206) 80.19793630 +1 1.08125729 +1 9.59919961 +1 0.3176 H( 1226 HOH 206) 80.01673231 +1 -0.35333000 +1 10.06091309 +1 0.3260 H( 1227 HOH 207) 12.50676213 +1 2.75497560 +1 10.00916613 +1 0.3474 H( 1228 HOH 207) 11.72266110 +1 2.50975075 +1 11.31141395 +1 0.3192 H( 1229 HOH 208) 42.90280116 +1 -2.69125991 +1 6.43256344 +1 0.3650 H( 1230 HOH 208) 42.03650203 +1 -3.40561961 +1 5.35745432 +1 0.3206 H( 1231 HOH 209) 62.55329258 +1 0.53020326 +1 14.37906107 +1 0.3208 H( 1232 HOH 209) 61.86128660 +1 -0.60816675 +1 15.10846387 +1 0.3160 H( 1233 HOH 210) 17.59809990 +1 -5.67485635 +1 3.90831370 +1 0.3244 H( 1234 HOH 210) 17.23870925 +1 -4.18810907 +1 4.08813031 +1 0.3330 H( 1235 HOH 211) 22.77753762 +1 3.29223568 +1 0.11850411 +1 0.3283 H( 1236 HOH 211) 23.11862294 +1 2.57419033 +1 1.44236482 +1 0.3519 H( 1237 HOH 212) 42.16128000 +1 4.00566548 +1 2.29960774 +1 0.3544 H( 1238 HOH 212) 42.09966839 +1 2.77222891 +1 1.37828567 +1 0.3492 H( 1239 HOH 213) 25.82990539 +1 -3.92115991 +1 4.86038034 +1 0.3398 H( 1240 HOH 213) 26.53649235 +1 -5.19384978 +1 5.32165681 +1 0.3143 H( 1241 HOH 214) 56.47973891 +1 -1.01314699 +1 11.35557175 +1 0.3468 H( 1242 HOH 214) 57.11994486 +1 -1.76634388 +1 12.53721680 +1 0.3149 H( 1243 HOH 215) 32.80950097 +1 -6.03158966 +1 7.76061770 +1 0.3411 H( 1244 HOH 215) 31.95858437 +1 -7.31635901 +1 7.86757399 +1 0.3156 H( 1245 HOH 216) 31.97423852 +1 6.43980189 +1 3.84287493 +1 0.3290 H( 1246 HOH 216) 31.69299634 +1 5.38463844 +1 4.90657175 +1 0.3453 H( 1247 HOH 217) 54.44560490 +1 -4.35636729 +1 3.49234651 +1 0.3292 H( 1248 HOH 217) 55.49091909 +1 -5.48937644 +1 3.38180670 +1 0.3359 H( 1249 HOH 218) 28.69137723 +1 -4.44745033 +1 9.10117837 +1 0.3487 H( 1250 HOH 218) 28.53670813 +1 -5.28247141 +1 10.40275143 +1 0.3363 H( 1251 HOH 219) 42.33098032 +1 -5.18361638 +1 3.75848908 +1 0.3277 H( 1252 HOH 219) 40.92237018 +1 -5.39690957 +1 3.20055320 +1 0.3208 H( 1253 HOH 220) 35.10226967 +1 5.51667257 +1 2.18965344 +1 0.3104 H( 1254 HOH 220) 33.73714049 +1 4.90628059 +1 2.54445385 +1 0.3427 H( 1255 HOH 221) 51.93395809 +1 6.02374438 +1 4.42751832 +1 0.3194 H( 1256 HOH 221) 51.15039226 +1 4.73777746 +1 4.76527396 +1 0.3502 H( 1257 HOH 222) 57.02544422 +1 -4.06642427 +1 4.20056297 +1 0.3480 H( 1258 HOH 222) 57.16919639 +1 -5.23312107 +1 5.20861946 +1 0.3273 H( 1259 HOH 223) 32.62151530 +1 -1.06696747 +1 -0.34040637 +1 0.3303 H( 1260 HOH 223) 32.16958893 +1 -1.48125427 +1 -1.75879512 +1 0.3234 H( 1261 HOH 224) 28.82942222 +1 0.73042345 +1 -1.32554518 +1 0.3264 H( 1262 HOH 224) 27.31372475 +1 0.99156973 +1 -1.30750313 +1 0.3207 H( 1263 HOH 225) 29.58896746 +1 3.54211254 +1 12.14799709 +1 0.3164 H( 1264 HOH 225) 28.82005734 +1 3.05321374 +1 10.90723741 +1 0.3398 H( 1265 HOH 226) 26.31136609 +1 1.21822838 +1 11.93205826 +1 0.3362 H( 1266 HOH 226) 27.30149669 +1 0.75411142 +1 13.02128419 +1 0.3377 H( 1267 HOH 227) 51.55653562 +1 4.79595137 +1 10.49201314 +1 0.3251 H( 1268 HOH 227) 51.16241821 +1 3.29896782 +1 10.42326669 +1 0.3546 H( 1269 HOH 228) 60.56849627 +1 1.50227385 +1 -1.74502459 +1 0.3245 H( 1270 HOH 228) 59.56416778 +1 2.37768114 +1 -2.51450594 +1 0.3211 H( 1271 HOH 229) 70.05507011 +1 6.58069747 +1 2.82493755 +1 0.3061 H( 1272 HOH 229) 69.08293540 +1 7.58485615 +1 3.45193089 +1 0.3307 H( 1273 HOH 230) 54.68198479 +1 4.96376144 +1 11.61735345 +1 0.3266 H( 1274 HOH 230) 53.19813638 +1 4.56093615 +1 11.83186463 +1 0.3246 H( 1275 HOH 231) 20.44478050 +1 4.01377251 +1 11.21027269 +1 0.3159 H( 1276 HOH 231) 20.65939344 +1 2.88201711 +1 12.23588502 +1 0.3252 H( 1277 HOH 232) 23.94342615 +1 5.59104788 +1 6.13638941 +1 0.3187 H( 1278 HOH 232) 22.44728629 +1 5.36386550 +1 5.99110762 +1 0.3287 H( 1279 HOH 233) 63.24184353 +1 -0.89574258 +1 12.42588495 +1 0.3363 H( 1280 HOH 233) 61.70001171 +1 -0.83912556 +1 12.38559616 +1 0.3227 H( 1281 HOH 234) 30.47580978 +1 -4.69786868 +1 7.47051404 +1 0.3279 H( 1282 HOH 234) 29.46374704 +1 -3.59989472 +1 6.97707761 +1 0.3445 H( 1283 HOH 235) 46.10948731 +1 2.24586661 +1 13.63425379 +1 0.3187 H( 1284 HOH 235) 45.32261442 +1 0.96434841 +1 13.93596913 +1 0.3113 H( 1285 HOH 236) 35.60358138 +1 -3.46582955 +1 8.48891917 +1 0.3416 H( 1286 HOH 236) 36.95225869 +1 -4.16695161 +1 8.49675532 +1 0.3303 H( 1287 HOH 237) 72.33196477 +1 3.77775476 +1 11.09149861 +1 0.3146 H( 1288 HOH 237) 71.19680455 +1 2.84971753 +1 10.58479437 +1 0.3526 H( 1289 HOH 238) 45.68652902 +1 -5.68501106 +1 9.88805269 +1 0.3457 H( 1290 HOH 238) 46.70413039 +1 -6.61703844 +1 10.59136963 +1 0.3158 H( 1291 HOH 239) 4.03827868 +1 -0.97588916 +1 0.34786858 +1 0.3106 H( 1292 HOH 239) 5.55364842 +1 -0.91288371 +1 0.55924696 +1 0.3336 H( 1293 HOH 240) 49.35366664 +1 -4.41978863 +1 9.29200911 +1 0.3422 H( 1294 HOH 240) 48.25827131 +1 -5.43500234 +1 8.98833319 +1 0.3197 H( 1295 HOH 241) 67.12274036 +1 0.96642933 +1 12.44441604 +1 0.3564 H( 1296 HOH 241) 66.81362266 +1 0.17566486 +1 13.74365856 +1 0.3118 H( 1297 HOH 242) 11.85624600 +1 7.55832209 +1 6.18003271 +1 0.3155 H( 1298 HOH 242) 12.30747915 +1 6.08894266 +1 6.12541122 +1 0.3175 H( 1299 HOH 243) 65.30731207 +1 0.00370373 +1 1.44281218 +1 0.3415 H( 1300 HOH 243) 66.55402721 +1 0.03934516 +1 0.54970888 +1 0.3074 H( 1301 HOH 244) 69.91520131 +1 -5.49210529 +1 7.61237004 +1 0.3087 H( 1302 HOH 244) 71.40837906 +1 -5.81270294 +1 7.78738660 +1 0.3251 H( 1303 HOH 245) 49.56989781 +1 4.54216138 +1 12.16068873 +1 0.3241 H( 1304 HOH 245) 48.41017668 +1 4.08618483 +1 11.27692289 +1 0.3226 H( 1305 HOH 246) 10.94506481 +1 6.36875975 +1 4.08517727 +1 0.3255 H( 1306 HOH 246) 10.71118459 +1 5.09172420 +1 3.25610418 +1 0.3398 H( 1307 HOH 247) 75.67812404 +1 5.53578859 +1 3.11428493 +1 0.3235 H( 1308 HOH 247) 74.31796203 +1 4.96665426 +1 3.60207979 +1 0.3401 H( 1309 HOH 248) 76.41657317 +1 -1.72380980 +1 10.75429922 +1 0.3333 H( 1310 HOH 248) 77.57055183 +1 -1.70560237 +1 11.76237682 +1 0.3118 H( 1311 HOH 249) 23.57264521 +1 5.18230605 +1 1.34411110 +1 0.3375 H( 1312 HOH 249) 23.39867505 +1 6.28558866 +1 2.40652097 +1 0.3160 H( 1313 HOH 250) 44.24580925 +1 6.40280469 +1 3.88640121 +1 0.3166 H( 1314 HOH 250) 43.18712884 +1 5.54346118 +1 4.59832343 +1 0.3483 H( 1315 HOH 251) 34.81294452 +1 3.63907708 +1 11.27825567 +1 0.3231 H( 1316 HOH 251) 35.29668570 +1 4.08320875 +1 12.65540317 +1 0.3043 H( 1317 HOH 252) 41.08147815 +1 2.29758817 +1 3.93972321 +1 0.3571 H( 1318 HOH 252) 40.39478259 +1 3.58584932 +1 3.41874102 +1 0.3194 H( 1319 HOH 253) 17.73871429 +1 -2.72685176 +1 8.68493182 +1 0.3585 H( 1320 HOH 253) 18.86407703 +1 -3.73570313 +1 9.03361049 +1 0.3187 H( 1321 HOH 254) 62.40288172 +1 5.56360903 +1 6.21052993 +1 0.3343 H( 1322 HOH 254) 60.91856068 +1 5.69639514 +1 6.52453841 +1 0.3216 H( 1323 HOH 255) 18.32188778 +1 6.29646880 +1 9.85384007 +1 0.3266 H( 1324 HOH 255) 17.41048114 +1 5.05175745 +1 10.04902065 +1 0.3327 H( 1325 HOH 256) 21.20510554 +1 -0.68868885 +1 10.17259788 +1 0.3347 H( 1326 HOH 256) 19.78980663 +1 -1.10877125 +1 10.55480928 +1 0.3215 H( 1327 HOH 257) 22.40269968 +1 0.28836238 +1 0.26538906 +1 0.3368 H( 1328 HOH 257) 22.73145457 +1 -0.01615250 +1 -1.22925660 +1 0.3332 H( 1329 HOH 258) 24.94069248 +1 -0.65030672 +1 -1.61722291 +1 0.3360 H( 1330 HOH 258) 24.46553298 +1 0.04432349 +1 -2.91113697 +1 0.3178 H( 1331 HOH 259) 63.37225151 +1 2.18886802 +1 0.58469481 +1 0.3170 H( 1332 HOH 259) 62.60549989 +1 2.57889435 +1 1.84482192 +1 0.3480 H( 1333 HOH 260) 25.26441482 +1 0.40535883 +1 0.65728236 +1 0.3424 H( 1334 HOH 260) 26.59284374 +1 -0.25721375 +1 0.96001925 +1 0.3298 H( 1335 HOH 261) 45.46932982 +1 -3.33919319 +1 2.77523270 +1 0.3183 H( 1336 HOH 261) 46.11996737 +1 -3.81982531 +1 1.47829175 +1 0.3351 H( 1337 HOH 262) 26.40940252 +1 -5.87548898 +1 9.21848565 +1 0.3128 H( 1338 HOH 262) 26.51892172 +1 -4.92048723 +1 10.41874944 +1 0.3250 H( 1339 HOH 263) 41.44396666 +1 6.36915195 +1 0.90697008 +1 0.3213 H( 1340 HOH 263) 40.62983840 +1 5.08774470 +1 0.68095971 +1 0.3415 H( 1341 HOH 264) 30.26591891 +1 7.38293066 +1 5.20627309 +1 0.3462 H( 1342 HOH 264) 29.16055989 +1 7.69373256 +1 4.17538926 +1 0.3192 H( 1343 HOH 265) 29.56748359 +1 -1.02768505 +1 10.68820676 +1 0.3096 H( 1344 HOH 265) 28.93182790 +1 -2.43983680 +1 10.77718181 +1 0.3346 H( 1345 HOH 266) 57.62364177 +1 -6.93133031 +1 7.15938387 +1 0.3176 H( 1346 HOH 266) 57.12761839 +1 -5.76781700 +1 8.03272283 +1 0.3235 H( 1347 HOH 267) 64.70770370 +1 -4.13796286 +1 5.32937566 +1 0.3482 H( 1348 HOH 267) 64.72763383 +1 -5.67732319 +1 5.31017689 +1 0.3160 H( 1349 HOH 268) 22.93367210 +1 1.60570552 +1 14.05350071 +1 0.3212 H( 1350 HOH 268) 21.86365418 +1 0.53542006 +1 13.78079385 +1 0.3255 H( 1351 HOH 269) 77.62962342 +1 10.45836848 +1 2.12724563 +1 0.3185 H( 1352 HOH 269) 76.30300133 +1 9.80285148 +1 2.53237698 +1 0.3203 H( 1353 HOH 270) 45.16666899 +1 1.12665109 +1 8.76454721 +1 0.3595 H( 1354 HOH 270) 46.06024850 +1 1.05859030 +1 10.02399486 +1 0.3357 H( 1355 HOH 271) 37.40214740 +1 6.19815764 +1 10.09577502 +1 0.3170 H( 1356 HOH 271) 38.63250984 +1 5.53274088 +1 9.45798969 +1 0.3482 H( 1357 HOH 272) 52.05806036 +1 -7.35651450 +1 10.50179187 +1 0.3142 H( 1358 HOH 272) 50.89289599 +1 -6.34838985 +1 10.48345136 +1 0.3346 H( 1359 HOH 273) 38.15433194 +1 2.31917723 +1 5.85493921 +1 0.3460 H( 1360 HOH 273) 38.80006734 +1 1.41139519 +1 4.74539093 +1 0.3467 H( 1361 HOH 274) 46.80669972 +1 -1.52506249 +1 2.29167438 +1 0.3352 H( 1362 HOH 274) 48.06684589 +1 -1.86838273 +1 1.45587068 +1 0.3418 H( 1363 HOH 275) 11.78122938 +1 0.35794234 +1 13.94138914 +1 0.3178 H( 1364 HOH 275) 11.30245599 +1 0.30292369 +1 12.49179323 +1 0.3402 H( 1365 HOH 276) 70.84575905 +1 -0.53332770 +1 15.54988049 +1 0.3253 H( 1366 HOH 276) 69.77699399 +1 -0.44728951 +1 14.44545178 +1 0.3197 H( 1367 HOH 277) 69.54033721 +1 4.89871207 +1 11.21941270 +1 0.3238 H( 1368 HOH 277) 68.67119157 +1 5.72487096 +1 12.17385347 +1 0.3163 H( 1369 HOH 278) 3.73079061 +1 -0.13688244 +1 14.55533701 +1 0.3118 H( 1370 HOH 278) 2.20535169 +1 -0.23971414 +1 14.48903417 +1 0.3109 H( 1371 HOH 279) 60.79138345 +1 3.91449716 +1 0.52205063 +1 0.3355 H( 1372 HOH 279) 59.68641056 +1 3.26338015 +1 -0.34160730 +1 0.3357 H( 1373 HOH 280) 72.28754090 +1 6.58218414 +1 4.69386510 +1 0.3283 H( 1374 HOH 280) 71.47865877 +1 5.32971073 +1 5.12014287 +1 0.3514 H( 1375 HOH 281) 69.86750427 +1 7.34985148 +1 5.57063675 +1 0.3424 H( 1376 HOH 281) 69.17070426 +1 6.00081483 +1 5.30547369 +1 0.3384 H( 1377 HOH 282) 71.39888366 +1 -2.27900822 +1 -1.11129510 +1 0.3264 H( 1378 HOH 282) 70.36726547 +1 -1.80490977 +1 -2.14579755 +1 0.3187 H( 1379 HOH 283) 73.28710955 +1 -4.50291168 +1 0.52469495 +1 0.3218 H( 1380 HOH 283) 72.66611281 +1 -5.76020798 +1 -0.10128159 +1 0.3150 H( 1381 HOH 284) 71.50944489 +1 1.90354952 +1 12.57609186 +1 0.3411 H( 1382 HOH 284) 71.49013292 +1 0.56343413 +1 13.36278085 +1 0.3364 H( 1383 HOH 285) 69.50714711 +1 0.97733903 +1 11.56226765 +1 0.3323 H( 1384 HOH 285) 68.48475376 +1 1.43397553 +1 10.46521207 +1 0.3634