SUMMARY OF PM7 CALCULATION, Site No: 9705 MOPAC2012 BETA VERSION(Version: 12.151M) Sat Jun 2 16:40:13 2012 No. of days left = 98 Empirical Formula: C371 H710 N88 O215 = 1384 atoms CUTOFF=5 XENO(0,0,1,0,HYDROXYPROLINE) START_RES(1 31 61 201) SETUP LET GNORM=5 PDBOUT PL MOZYME NOOPT OPT-H 1CAG HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -11562.57517 KCAL/MOL = -48377.81453 KJ/MOL TOTAL ENERGY = -135100.00943 EV ELECTRONIC ENERGY = -6857942.70091 EV CORE-CORE REPULSION = 6722842.69148 EV GRADIENT NORM = 3.74488 DIPOLE = 172.45549 DEBYE NO. OF FILLED LEVELS = 1962 MOLECULAR WEIGHT = 9844.151 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 851 O 183 87.76655 H 1380 H 1196 21.20722 H 1351 H 1358 19.43881 SCF CALCULATIONS = 6 COMPUTATION TIME = 1 MINUTES AND 26.657 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 GNORM=5 PDBOUT PL MOZYME NOOPT OPT-H 1CAG N( 1 PRO* 1) 3.42800000 +0 3.10200000 +0 7.94800000 +0 -0.5176 C( 2 PRO* 1) 4.71500000 +0 3.66400000 +0 8.50300000 +0 -0.0601 C( 3 PRO* 1) 5.88600000 +0 2.83600000 +0 7.96900000 +0 0.5775 O( 4 PRO* 1) 5.79500000 +0 1.60000000 +0 7.93500000 +0 -0.6352 C( 5 PRO 1) 4.65200000 +0 3.58300000 +0 10.03900000 +0 -0.3042 C( 6 PRO 1) 3.59400000 +0 2.54700000 +0 10.28800000 +0 -0.2825 C( 7 PRO 1) 2.61300000 +0 2.73200000 +0 9.14300000 +0 -0.1259 N( 8 PRO* 2) 6.97400000 +0 3.50200000 +0 7.51000000 +0 -0.4927 C( 9 PRO* 2) 8.24900000 +0 2.95200000 +0 6.95900000 +0 0.0085 C( 10 PRO* 2) 9.01000000 +0 2.00600000 +0 7.89500000 +0 0.5393 O( 11 PRO* 2) 9.10200000 +0 2.24000000 +0 9.09200000 +0 -0.5752 C( 12 PRO 2) 9.12300000 +0 4.18400000 +0 6.62300000 +0 -0.3370 C( 13 PRO 2) 8.26500000 +0 5.44000000 +0 6.84100000 +0 0.1744 C( 14 PRO 2) 6.93300000 +0 4.97500000 +0 7.44200000 +0 -0.1097 O( 15 PRO 2) 8.05300000 +0 6.08500000 +0 5.57700000 +0 -0.6053 N( 16 GLY* 3) 9.56400000 +0 0.95400000 +0 7.32200000 +0 -0.4971 C( 17 GLY* 3) 10.27100000 +0 -0.01000000 +0 8.13300000 +0 -0.1413 C( 18 GLY* 3) 11.58200000 +0 0.51600000 +0 8.69200000 +0 0.5819 O( 19 GLY* 3) 11.98200000 +0 1.65900000 +0 8.42900000 +0 -0.6209 N( 20 PRO* 4) 12.28000000 +0 -0.32500000 +0 9.48000000 +0 -0.4681 C( 21 PRO* 4) 13.55200000 +0 -0.11600000 +0 10.17100000 +0 0.0061 C( 22 PRO* 4) 14.67600000 +0 0.30400000 +0 9.24300000 +0 0.5986 O( 23 PRO* 4) 14.58500000 +0 0.10600000 +0 7.99200000 +0 -0.6303 C( 24 PRO 4) 13.83500000 +0 -1.46900000 +0 10.83500000 +0 -0.2943 C( 25 PRO 4) 12.51300000 +0 -2.16800000 +0 10.90300000 +0 -0.2854 C( 26 PRO 4) 11.81000000 +0 -1.71600000 +0 9.65600000 +0 -0.0894 N( 27 PRO* 5) 15.73900000 +0 0.90800000 +0 9.82800000 +0 -0.4620 C( 28 PRO* 5) 16.93300100 +0 1.35200000 +0 9.09100000 +0 0.0458 C( 29 PRO* 5) 17.54700100 +0 0.11700000 +0 8.47800000 +0 0.5886 O( 30 PRO* 5) 17.37700100 +0 -0.97700000 +0 9.03900000 +0 -0.6650 C( 31 PRO 5) 17.83499900 +0 1.91100000 +0 10.15200000 +0 -0.3532 C( 32 PRO 5) 16.91600000 +0 2.37100000 +0 11.26200000 +0 0.1940 C( 33 PRO 5) 15.85200000 +0 1.27700000 +0 11.25000000 +0 -0.1279 O( 34 PRO 5) 16.40200000 +0 3.66500000 +0 10.87600000 +0 -0.5841 N( 35 GLY* 6) 18.23399900 +0 0.31700000 +0 7.35400000 +0 -0.5061 C( 36 GLY* 6) 18.91300000 +0 -0.75100000 +0 6.65000000 +0 -0.1857 C( 37 GLY* 6) 20.15000000 +0 -1.22200000 +0 7.36000000 +0 0.6035 O( 38 GLY* 6) 20.64600000 +0 -0.51900000 +0 8.23800000 +0 -0.6521 N( 39 PRO* 7) 20.71100000 +0 -2.38200000 +0 6.99700000 +0 -0.4694 C( 40 PRO* 7) 21.89600000 +0 -2.78100000 +0 7.76800000 +0 0.0041 C( 41 PRO* 7) 23.16300000 +0 -1.93300000 +0 7.52400000 +0 0.6183 O( 42 PRO* 7) 23.16400000 +0 -1.01200000 +0 6.63700000 +0 -0.6528 C( 43 PRO 7) 22.04000100 +0 -4.25600000 +0 7.43100000 +0 -0.3010 C( 44 PRO 7) 21.60100000 +0 -4.26700000 +0 6.01000000 +0 -0.2800 C( 45 PRO 7) 20.39600000 +0 -3.37000000 +0 5.95600000 +0 -0.0483 N( 46 PRO* 8) 24.23800100 +0 -2.16700000 +0 8.35000000 +0 -0.4854 C( 47 PRO* 8) 25.47800100 +0 -1.40500000 +0 8.19900000 +0 0.0099 C( 48 PRO* 8) 25.97699900 +0 -1.64600000 +0 6.82400000 +0 0.5919 O( 49 PRO* 8) 25.76600100 +0 -2.76900000 +0 6.31900000 +0 -0.6500 C( 50 PRO 8) 26.41000000 +0 -1.97700000 +0 9.26400000 +0 -0.3415 C( 51 PRO 8) 25.45700100 +0 -2.45900000 +0 10.35500000 +0 0.1626 C( 52 PRO 8) 24.32900000 +0 -3.06600000 +0 9.51700000 +0 -0.0820 O( 53 PRO 8) 24.95000100 +0 -1.35800000 +0 11.14500000 +0 -0.5542 N( 54 GLY* 9) 26.61000100 +0 -0.62300000 +0 6.23200000 +0 -0.5090 C( 55 GLY* 9) 27.17700000 +0 -0.75500000 +0 4.90400000 +0 -0.1500 C( 56 GLY* 9) 28.45100000 +0 -1.60800000 +0 4.97300000 +0 0.6016 O( 57 GLY* 9) 28.94300100 +0 -1.94500000 +0 6.05600000 +0 -0.6725 N( 58 PRO* 10) 29.01600100 +0 -1.98600000 +0 3.83500000 +0 -0.4476 C( 59 PRO* 10) 30.23600000 +0 -2.79500000 +0 3.92600000 +0 -0.0070 C( 60 PRO* 10) 31.52000000 +0 -2.10500000 +0 4.37500000 +0 0.6019 O( 61 PRO* 10) 31.62800000 +0 -0.87600000 +0 4.40700000 +0 -0.5963 C( 62 PRO 10) 30.37900000 +0 -3.35600000 +0 2.52700000 +0 -0.3180 C( 63 PRO 10) 29.86000100 +0 -2.22000000 +0 1.69400000 +0 -0.2730 C( 64 PRO 10) 28.62900000 +0 -1.76700000 +0 2.43300000 +0 -0.0469 N( 65 PRO* 11) 32.50500100 +0 -2.92300000 +0 4.76200000 +0 -0.4889 C( 66 PRO* 11) 33.83599900 +0 -2.45500000 +0 5.12500000 +0 0.0308 C( 67 PRO* 11) 34.32000000 +0 -1.26600000 +0 4.26600000 +0 0.5643 O( 68 PRO* 11) 34.03900100 +0 -1.18000000 +0 3.07200000 +0 -0.5931 C( 69 PRO 11) 34.69800200 +0 -3.68000000 +0 4.87500000 +0 -0.3577 C( 70 PRO 11) 33.82300200 +0 -4.85500000 +0 5.29100000 +0 0.1873 C( 71 PRO 11) 32.39799900 +0 -4.37800000 +0 4.97000000 +0 -0.1103 O( 72 PRO 11) 34.03599900 +0 -5.06400000 +0 6.71200000 +0 -0.6712 N( 73 GLY* 12) 35.05899800 +0 -0.37300000 +0 4.88100000 +0 -0.5078 C( 74 GLY* 12) 35.66600000 +0 0.66700000 +0 4.10200000 +0 -0.1344 C( 75 GLY* 12) 36.81700100 +0 0.20000000 +0 3.24500000 +0 0.5553 O( 76 GLY* 12) 37.22499800 +0 -0.98100000 +0 3.17700000 +0 -0.6028 N( 77 PRO* 13) 37.41500100 +0 1.17100000 +0 2.57000000 +0 -0.4901 C( 78 PRO* 13) 38.54800000 +0 0.92900000 +0 1.68200000 +0 -0.0008 C( 79 PRO* 13) 39.73300200 +0 0.35500000 +0 2.44400000 +0 0.5520 O( 80 PRO* 13) 39.94100200 +0 0.67200000 +0 3.61900000 +0 -0.6240 C( 81 PRO 13) 38.84500100 +0 2.30000000 +0 1.10100000 +0 -0.2794 C( 82 PRO 13) 37.63800000 +0 3.11400000 +0 1.42000000 +0 -0.2885 C( 83 PRO 13) 37.10300100 +0 2.59400000 +0 2.68500000 +0 -0.0623 N( 84 PRO* 14) 40.49900100 +0 -0.54200000 +0 1.81500000 +0 -0.4689 C( 85 PRO* 14) 41.69599900 +0 -1.09300000 +0 2.49900000 +0 0.0113 C( 86 PRO* 14) 42.60100200 +0 0.01900000 +0 3.05400000 +0 0.5804 O( 87 PRO* 14) 42.92200100 +0 0.99800000 +0 2.39200000 +0 -0.6446 C( 88 PRO 14) 42.33300000 +0 -1.95900000 +0 1.42000000 +0 -0.3478 C( 89 PRO 14) 41.13900000 +0 -2.45000000 +0 0.60100000 +0 0.1607 C( 90 PRO 14) 40.25099900 +0 -1.23400000 +0 0.54800000 +0 -0.1233 O( 91 PRO 14) 40.40599800 +0 -3.51600000 +0 1.24700000 +0 -0.5570 N( 92 ALA* 15) 42.95900000 +0 -0.14600000 +0 4.32300000 +0 -0.5436 C( 93 ALA* 15) 43.84600100 +0 0.76600000 +0 5.06700000 +0 0.0682 C( 94 ALA* 15) 45.17699800 +0 0.73600000 +0 4.28800000 +0 0.5825 O( 95 ALA* 15) 45.73199800 +0 -0.34500000 +0 4.00300000 +0 -0.6333 C( 96 ALA 15) 44.02800000 +0 0.22500000 +0 6.43900000 +0 -0.5004 N( 97 PRO* 16) 45.74200100 +0 1.90500000 +0 3.97500000 +0 -0.4528 C( 98 PRO* 16) 46.95200000 +0 1.81000000 +0 3.16800000 +0 -0.0216 C( 99 PRO* 16) 48.12699900 +0 1.12700000 +0 3.83500000 +0 0.6083 O( 100 PRO* 16) 48.08499900 +0 0.82900000 +0 5.00800000 +0 -0.6064 C( 101 PRO 16) 47.21500000 +0 3.28300000 +0 2.76300000 +0 -0.2536 C( 102 PRO 16) 46.70500200 +0 4.03700000 +0 3.92400000 +0 -0.2880 C( 103 PRO 16) 45.46600000 +0 3.29900000 +0 4.38200000 +0 -0.0442 N( 104 PRO* 17) 49.17900100 +0 0.81500000 +0 3.06800000 +0 -0.4912 C( 105 PRO* 17) 50.39199800 +0 0.20500000 +0 3.63500000 +0 0.0170 C( 106 PRO* 17) 51.09899900 +0 1.27000000 +0 4.44800000 +0 0.5625 O( 107 PRO* 17) 50.87200200 +0 2.47500000 +0 4.22000000 +0 -0.6248 C( 108 PRO 17) 51.20999900 +0 -0.22000000 +0 2.43800000 +0 -0.3529 C( 109 PRO 17) 50.30899800 +0 -0.04000000 +0 1.21300000 +0 0.1739 C( 110 PRO 17) 49.24599800 +0 0.96400000 +0 1.61500000 +0 -0.0978 O( 111 PRO 17) 49.67800100 +0 -1.28400000 +0 0.86300000 +0 -0.6017 N( 112 GLY* 18) 51.94200100 +0 0.87500000 +0 5.39200000 +0 -0.4935 C( 113 GLY* 18) 52.60900100 +0 1.90000000 +0 6.16600000 +0 -0.1479 C( 114 GLY* 18) 53.69900100 +0 2.75900000 +0 5.52200000 +0 0.5543 O( 115 GLY* 18) 54.05199800 +0 2.61900000 +0 4.31100000 +0 -0.6058 N( 116 PRO* 19) 54.24100100 +0 3.69400000 +0 6.33400000 +0 -0.4658 C( 117 PRO* 19) 55.32199900 +0 4.54600000 +0 5.85600000 +0 0.0088 C( 118 PRO* 19) 56.59199900 +0 3.64900000 +0 5.71600000 +0 0.6064 O( 119 PRO* 19) 56.68100000 +0 2.55400000 +0 6.31500000 +0 -0.6445 C( 120 PRO 19) 55.45999900 +0 5.62700000 +0 6.91800000 +0 -0.2892 C( 121 PRO 19) 54.38100100 +0 5.39300000 +0 7.93900000 +0 -0.2859 C( 122 PRO 19) 53.85100200 +0 4.00200000 +0 7.72500000 +0 -0.0584 N( 123 PRO* 20) 57.56700100 +0 4.07300000 +0 4.88400000 +0 -0.4688 C( 124 PRO* 20) 58.77899900 +0 3.26900000 +0 4.70400000 +0 0.0356 C( 125 PRO* 20) 59.44300100 +0 3.02700000 +0 6.09000000 +0 0.5578 O( 126 PRO* 20) 59.21699900 +0 3.79700000 +0 7.03200000 +0 -0.5954 C( 127 PRO 20) 59.64500000 +0 4.13200000 +0 3.83200000 +0 -0.3614 C( 128 PRO 20) 58.67800100 +0 5.05600000 +0 3.11100000 +0 0.1745 C( 129 PRO 20) 57.65300000 +0 5.35500000 +0 4.16700000 +0 -0.0943 O( 130 PRO 20) 58.03400000 +0 4.38600000 +0 2.06800000 +0 -0.5896 N( 131 GLY* 21) 60.25000000 +0 1.97000000 +0 6.18400000 +0 -0.5277 C( 132 GLY* 21) 60.98899800 +0 1.75700000 +0 7.39000000 +0 -0.1417 C( 133 GLY* 21) 62.10200100 +0 2.77800000 +0 7.51600000 +0 0.5977 O( 134 GLY* 21) 62.26699800 +0 3.67500000 +0 6.68100000 +0 -0.6597 N( 135 PRO* 22) 62.93700000 +0 2.62600000 +0 8.54700000 +0 -0.4649 C( 136 PRO* 22) 64.05100300 +0 3.53500000 +0 8.78800000 +0 0.0089 C( 137 PRO* 22) 65.26799800 +0 3.10500000 +0 7.98100000 +0 0.6119 O( 138 PRO* 22) 65.29699700 +0 2.01600000 +0 7.39400000 +0 -0.6527 C( 139 PRO 22) 64.27100400 +0 3.43800000 +0 10.29400000 +0 -0.2835 C( 140 PRO 22) 63.78300100 +0 2.05900000 +0 10.66000000 +0 -0.2887 C( 141 PRO 22) 62.94100200 +0 1.50700000 +0 9.51700000 +0 -0.0616 N( 142 PRO* 23) 66.28500400 +0 3.96100000 +0 7.95200000 +0 -0.4572 C( 143 PRO* 23) 67.54499800 +0 3.69500000 +0 7.25400000 +0 0.0465 C( 144 PRO* 23) 68.10199700 +0 2.42200000 +0 7.88900000 +0 0.5752 O( 145 PRO* 23) 67.75900300 +0 2.09200000 +0 9.04800000 +0 -0.6484 C( 146 PRO 23) 68.39900200 +0 4.90700000 +0 7.57800000 +0 -0.3605 C( 147 PRO 23) 67.36399800 +0 5.97100000 +0 7.92200000 +0 0.1819 C( 148 PRO 23) 66.35600300 +0 5.20500000 +0 8.72900000 +0 -0.1019 O( 149 PRO 23) 66.72399900 +0 6.37000000 +0 6.78500000 +0 -0.5789 N( 150 GLY* 24) 68.92900100 +0 1.71400000 +0 7.13900000 +0 -0.5078 C( 151 GLY* 24) 69.58000200 +0 0.55100000 +0 7.69700000 +0 -0.1590 C( 152 GLY* 24) 70.75099900 +0 0.88500000 +0 8.61000000 +0 0.5957 O( 153 GLY* 24) 71.06400300 +0 2.07600000 +0 8.92700000 +0 -0.7162 N( 154 PRO* 25) 71.42500300 +0 -0.15600000 +0 9.07800000 +0 -0.4174 C( 155 PRO* 25) 72.59100300 +0 0.02500000 +0 9.96000000 +0 0.0211 C( 156 PRO* 25) 73.86200000 +0 0.33200000 +0 9.13500000 +0 0.6033 O( 157 PRO* 25) 73.89700300 +0 -0.04500000 +0 7.95000000 +0 -0.6275 C( 158 PRO 25) 72.67600300 +0 -1.30600000 +0 10.68600000 +0 -0.2952 C( 159 PRO 25) 72.14499700 +0 -2.27500000 +0 9.69900000 +0 -0.2795 C( 160 PRO 25) 71.09300200 +0 -1.57600000 +0 8.88500000 +0 -0.0744 N( 161 PRO* 26) 74.88600200 +0 1.04100000 +0 9.71300000 +0 -0.5044 C( 162 PRO* 26) 76.14099900 +0 1.31600000 +0 8.98200000 +0 0.0034 C( 163 PRO* 26) 76.76000200 +0 0.11900000 +0 8.29200000 +0 0.5620 O( 164 PRO* 26) 76.55999800 +0 -1.05500000 +0 8.69900000 +0 -0.6103 C( 165 PRO 26) 77.07099900 +0 1.87300000 +0 10.03600000 +0 -0.3751 C( 166 PRO 26) 76.13999900 +0 2.62900000 +0 10.96500000 +0 0.1768 C( 167 PRO 26) 74.86299900 +0 1.78500000 +0 10.98700000 +0 -0.1122 O( 168 PRO 26) 75.94200100 +0 3.91000000 +0 10.36900000 +0 -0.5919 N( 169 GLY* 27) 77.52200300 +0 0.42200000 +0 7.25100000 +0 -0.4912 C( 170 GLY* 27) 78.15200000 +0 -0.62600000 +0 6.48000000 +0 -0.1501 C( 171 GLY* 27) 79.43699600 +0 -1.08400000 +0 7.11100000 +0 0.6016 O( 172 GLY* 27) 79.88999900 +0 -0.49700000 +0 8.08100000 +0 -0.6195 N( 173 PRO* 28) 80.05500000 +0 -2.13800000 +0 6.57200000 +0 -0.5011 C( 174 PRO* 28) 81.32000000 +0 -2.68500000 +0 7.06600000 +0 0.0217 C( 175 PRO* 28) 82.30400100 +0 -1.52700000 +0 7.25000000 +0 0.5790 O( 176 PRO* 28) 82.26100200 +0 -0.57900000 +0 6.47600000 +0 -0.5525 C( 177 PRO 28) 81.75000000 +0 -3.62200000 +0 5.95600000 +0 -0.2952 C( 178 PRO 28) 80.47100100 +0 -4.07100000 +0 5.33600000 +0 -0.2841 C( 179 PRO 28) 79.58100100 +0 -2.86100000 +0 5.37300000 +0 -0.0640 N( 180 PRO* 29) 83.19400000 +0 -1.59500000 +0 8.26200000 +0 -0.5159 C( 181 PRO 29) 84.23000300 +0 -0.59300000 +0 8.60900000 +0 0.0270 C( 182 PRO 29) 85.23100300 +0 -0.30400000 +0 7.46700000 +0 0.3127 O( 183 PRO 29) 86.09600100 +0 -1.13200000 +0 7.11100000 +0 -0.4366 C( 184 PRO 29) 84.90100100 +0 -1.20200000 +0 9.82900000 +0 -0.3551 C( 185 PRO* 29) 84.76200100 +0 -2.69100000 +0 9.53200000 +0 0.1558 C( 186 PRO* 29) 83.29100000 +0 -2.76300000 +0 9.15400000 +0 -0.1046 O( 187+PRO* 29) 85.01999700 +0 -3.47900000 +0 10.70900000 +0 -0.5568 N( 188 PRO* 31) 1.39400000 +0 -2.73100000 +0 1.98700000 +0 -0.5337 C( 189 PRO* 31) 1.69200000 +0 -3.28300000 +0 3.34100000 +0 -0.0539 C( 190 PRO* 31) 2.74400000 +0 -4.35200000 +0 3.11500000 +0 0.5320 O( 191 PRO* 31) 2.58000000 +0 -5.19700000 +0 2.21100000 +0 -0.5508 C( 192 PRO 31) 0.41700000 +0 -3.89300000 +0 3.95300000 +0 -0.2652 C( 193 PRO 31) -0.45300000 +0 -4.17100000 +0 2.75100000 +0 -0.2894 C( 194 PRO 31) 0.02300000 +0 -3.25500000 +0 1.64100000 +0 -0.0934 N( 195 PRO* 32) 3.82700000 +0 -4.36300000 +0 3.94100000 +0 -0.5345 C( 196 PRO* 32) 4.22100000 +0 -3.52500000 +0 5.10000000 +0 0.0382 C( 197 PRO* 32) 3.95000000 +0 -1.97000000 +0 5.05900000 +0 0.5193 O( 198 PRO* 32) 2.97000000 +0 -1.49800000 +0 5.65200000 +0 -0.5615 C( 199 PRO 32) 5.70600000 +0 -3.86700000 +0 5.28700000 +0 -0.3789 C( 200 PRO 32) 5.88700000 +0 -5.28600000 +0 4.76100000 +0 0.1630 C( 201 PRO 32) 4.90600000 +0 -5.32700000 +0 3.59400000 +0 -0.1344 O( 202 PRO 32) 5.50400000 +0 -6.24900000 +0 5.74300000 +0 -0.5566 N( 203 GLY* 33) 4.80800000 +0 -1.21000000 +0 4.37800000 +0 -0.5149 C( 204 GLY* 33) 4.65800000 +0 0.23200000 +0 4.21500000 +0 -0.1573 C( 205 GLY* 33) 5.78100000 +0 0.65800000 +0 3.27300000 +0 0.5721 O( 206 GLY* 33) 6.18000000 +0 -0.11800000 +0 2.41300000 +0 -0.6338 N( 207 PRO* 34) 6.27400000 +0 1.90000000 +0 3.37300000 +0 -0.4489 C( 208 PRO* 34) 7.40400000 +0 2.28100000 +0 2.52500000 +0 0.0095 C( 209 PRO* 34) 8.68400000 +0 1.71100000 +0 3.18900000 +0 0.5962 O( 210 PRO* 34) 8.75100000 +0 1.47900000 +0 4.42200000 +0 -0.6680 C( 211 PRO 34) 7.38100000 +0 3.82300000 +0 2.52900000 +0 -0.3010 C( 212 PRO 34) 6.10900000 +0 4.19500000 +0 3.20200000 +0 -0.2883 C( 213 PRO 34) 5.78700000 +0 3.05700000 +0 4.14100000 +0 -0.0510 N( 214 PRO* 35) 9.70600000 +0 1.44500000 +0 2.37700000 +0 -0.4491 C( 215 PRO* 35) 10.97600000 +0 0.93500000 +0 2.90500000 +0 0.0192 C( 216 PRO* 35) 11.63400000 +0 1.97500000 +0 3.82900000 +0 0.5770 O( 217 PRO* 35) 11.49000000 +0 3.21700000 +0 3.62100000 +0 -0.6550 C( 218 PRO 35) 11.79700000 +0 0.68500000 +0 1.65600000 +0 -0.3575 C( 219 PRO 35) 10.73800000 +0 0.45400000 +0 0.59100000 +0 0.1628 C( 220 PRO 35) 9.72900000 +0 1.53900000 +0 0.90400000 +0 -0.0920 O( 221 PRO 35) 10.12800000 +0 -0.76600000 +0 0.83200000 +0 -0.5560 N( 222 GLY* 36) 12.32900000 +0 1.47900000 +0 4.84600000 +0 -0.4843 C( 223 GLY* 36) 13.08500000 +0 2.38400000 +0 5.71800000 +0 -0.1383 C( 224 GLY* 36) 14.31600000 +0 3.05700000 +0 5.07600000 +0 0.5516 O( 225 GLY* 36) 14.67000000 +0 2.78300000 +0 3.93100000 +0 -0.5786 N( 226 PRO* 37) 14.99000000 +0 3.95500000 +0 5.82300000 +0 -0.4789 C( 227 PRO* 37) 16.17900100 +0 4.65400000 +0 5.36600000 +0 0.0131 C( 228 PRO* 37) 17.37000100 +0 3.69500000 +0 5.17400000 +0 0.5948 O( 229 PRO* 37) 17.41500100 +0 2.59800000 +0 5.73200000 +0 -0.6284 C( 230 PRO 37) 16.45500000 +0 5.66700000 +0 6.48200000 +0 -0.2872 C( 231 PRO 37) 15.15500000 +0 5.80100000 +0 7.18300000 +0 -0.2863 C( 232 PRO 37) 14.64200000 +0 4.39700000 +0 7.18500000 +0 -0.0390 N( 233 PRO* 38) 18.35199900 +0 4.11600000 +0 4.38600000 +0 -0.4529 C( 234 PRO* 38) 19.51100000 +0 3.25900000 +0 4.19300000 +0 0.0066 C( 235 PRO* 38) 20.14900000 +0 3.03800000 +0 5.54400000 +0 0.5692 O( 236 PRO* 38) 19.88299900 +0 3.76700000 +0 6.49900000 +0 -0.6154 C( 237 PRO 38) 20.37999900 +0 4.06000000 +0 3.22900000 +0 -0.3612 C( 238 PRO 38) 19.35899900 +0 4.91600000 +0 2.47200000 +0 0.1699 C( 239 PRO 38) 18.47500000 +0 5.36100000 +0 3.62100000 +0 -0.1029 O( 240 PRO 38) 18.55900000 +0 4.14700000 +0 1.57200000 +0 -0.5537 N( 241 GLY* 39) 20.98000000 +0 2.01100000 +0 5.61300000 +0 -0.5128 C( 242 GLY* 39) 21.73700000 +0 1.74100000 +0 6.81100000 +0 -0.1737 C( 243 GLY* 39) 22.88200000 +0 2.68500000 +0 7.08000000 +0 0.6031 O( 244 GLY* 39) 23.20299900 +0 3.55100000 +0 6.28700000 +0 -0.6873 N( 245 PRO* 40) 23.54000100 +0 2.51800000 +0 8.22000000 +0 -0.4577 C( 246 PRO* 40) 24.66700000 +0 3.35600000 +0 8.65300000 +0 0.0173 C( 247 PRO* 40) 25.95700100 +0 3.04700000 +0 7.86400000 +0 0.5890 O( 248 PRO* 40) 26.04500000 +0 1.99900000 +0 7.23100000 +0 -0.6257 C( 249 PRO 40) 24.78500000 +0 3.04500000 +0 10.15000000 +0 -0.2528 C( 250 PRO 40) 23.71200000 +0 2.03900000 +0 10.45500000 +0 -0.2944 C( 251 PRO 40) 23.23900000 +0 1.44300000 +0 9.16700000 +0 -0.0653 N( 252 PRO* 41) 26.95800000 +0 3.94800000 +0 7.89900000 +0 -0.4865 C( 253 PRO* 41) 28.21100000 +0 3.69800000 +0 7.18100000 +0 0.0163 C( 254 PRO* 41) 28.85899900 +0 2.43900000 +0 7.72600000 +0 0.5724 O( 255 PRO* 41) 28.80500000 +0 2.19800000 +0 8.95000000 +0 -0.6313 C( 256 PRO 41) 29.04999900 +0 4.93700000 +0 7.44600000 +0 -0.3426 C( 257 PRO 41) 28.02700000 +0 6.00600000 +0 7.79100000 +0 0.1740 C( 258 PRO 41) 27.02199900 +0 5.22700000 +0 8.62900000 +0 -0.0845 O( 259 PRO 41) 27.44700100 +0 6.45700000 +0 6.57100000 +0 -0.5752 N( 260 GLY* 42) 29.44700100 +0 1.63000000 +0 6.85300000 +0 -0.5125 C( 261 GLY* 42) 30.11700100 +0 0.43600000 +0 7.36100000 +0 -0.1397 C( 262 GLY* 42) 31.26499900 +0 0.72600000 +0 8.34800000 +0 0.5659 O( 263 GLY* 42) 31.50900100 +0 1.89700000 +0 8.73600000 +0 -0.5713 N( 264 PRO* 43) 31.96100000 +0 -0.32400000 +0 8.82200000 +0 -0.5016 C( 265 PRO* 43) 33.12799800 +0 -0.14900000 +0 9.69500000 +0 0.0381 C( 266 PRO* 43) 34.40800100 +0 0.12500000 +0 8.79900000 +0 0.6118 O( 267 PRO* 43) 34.30699900 +0 0.16400000 +0 7.58500000 +0 -0.6237 C( 268 PRO 43) 33.20200000 +0 -1.47800000 +0 10.40300000 +0 -0.2991 C( 269 PRO 43) 32.74399900 +0 -2.46900000 +0 9.39400000 +0 -0.2731 C( 270 PRO 43) 31.60300100 +0 -1.76100000 +0 8.69500000 +0 -0.0382 N( 271 PRO* 44) 35.59100000 +0 0.37500000 +0 9.40400000 +0 -0.4956 C( 272 PRO* 44) 36.90200000 +0 0.55000000 +0 8.73600000 +0 0.0544 C( 273 PRO* 44) 37.39799900 +0 -0.88700000 +0 8.28200000 +0 0.5710 O( 274 PRO* 44) 36.92400000 +0 -1.86800000 +0 8.81100000 +0 -0.6494 C( 275 PRO 44) 37.82300200 +0 1.12900000 +0 9.83200000 +0 -0.3416 C( 276 PRO 44) 36.91999800 +0 1.73400000 +0 10.88100000 +0 0.1734 C( 277 PRO 44) 35.66600000 +0 0.85000000 +0 10.80600000 +0 -0.1043 O( 278 PRO 44) 36.63600200 +0 3.10400000 +0 10.52600000 +0 -0.6098 N( 279 ALA* 45) 38.34000000 +0 -0.96800000 +0 7.34400000 +0 -0.5444 C( 280 ALA* 45) 38.92699800 +0 -2.22000000 +0 6.83700000 +0 0.0494 C( 281 ALA* 45) 39.95000100 +0 -2.52900000 +0 7.91400000 +0 0.5594 O( 282 ALA* 45) 40.36600100 +0 -1.62000000 +0 8.56700000 +0 -0.5141 C( 283 ALA 45) 39.62699900 +0 -1.96900000 +0 5.43500000 +0 -0.4360 N( 284 PRO* 46) 40.40100100 +0 -3.79900000 +0 8.09000000 +0 -0.5375 C( 285 PRO* 46) 41.34800000 +0 -4.02800000 +0 9.20400000 +0 0.0289 C( 286 PRO* 46) 42.69400000 +0 -3.23500000 +0 9.16200000 +0 0.5517 O( 287 PRO* 46) 42.93000000 +0 -2.41100000 +0 8.26200000 +0 -0.5840 C( 288 PRO 46) 41.52199900 +0 -5.57100000 +0 9.22600000 +0 -0.2702 C( 289 PRO 46) 40.56000100 +0 -6.12700000 +0 8.20100000 +0 -0.2791 C( 290 PRO 46) 40.18700000 +0 -5.01300000 +0 7.27200000 +0 -0.0314 N( 291 PRO* 47) 43.55899800 +0 -3.42100000 +0 10.17600000 +0 -0.4904 C( 292 PRO* 47) 44.86100000 +0 -2.76100000 +0 10.23300000 +0 0.0177 C( 293 PRO* 47) 45.67900100 +0 -3.04900000 +0 8.98700000 +0 0.5604 O( 294 PRO* 47) 45.88200000 +0 -4.22300000 +0 8.63200000 +0 -0.5935 C( 295 PRO 47) 45.50000000 +0 -3.35600000 +0 11.47500000 +0 -0.3815 C( 296 PRO 47) 44.32400100 +0 -3.65500000 +0 12.39300000 +0 0.1943 C( 297 PRO 47) 43.32199900 +0 -4.21200000 +0 11.39600000 +0 -0.1261 O( 298 PRO 47) 43.85500000 +0 -2.44300000 +0 12.96000000 +0 -0.5667 N( 299 GLY* 48) 46.15100100 +0 -1.97600000 +0 8.34600000 +0 -0.5029 C( 300 GLY* 48) 46.98799900 +0 -2.04900000 +0 7.14200000 +0 -0.1593 C( 301 GLY* 48) 48.36899900 +0 -2.73400000 +0 7.19000000 +0 0.6035 O( 302 GLY* 48) 48.96099900 +0 -2.88600000 +0 8.28000000 +0 -0.6543 N( 303 PRO* 49) 48.90700100 +0 -3.17400000 +0 6.02000000 +0 -0.4690 C( 304 PRO* 49) 50.20600100 +0 -3.85700000 +0 5.93300000 +0 0.0095 C( 305 PRO* 49) 51.37699900 +0 -2.95400000 +0 6.22400000 +0 0.6132 O( 306 PRO* 49) 51.29999900 +0 -1.75400000 +0 6.06800000 +0 -0.6293 C( 307 PRO 49) 50.20800000 +0 -4.42600000 +0 4.51600000 +0 -0.2817 C( 308 PRO 49) 49.39500000 +0 -3.44800000 +0 3.73800000 +0 -0.2925 C( 309 PRO 49) 48.28699900 +0 -3.04800000 +0 4.68400000 +0 -0.0492 N( 310 PRO* 50) 52.48300200 +0 -3.51000000 +0 6.68300000 +0 -0.4866 C( 311 PRO* 50) 53.53500000 +0 -2.52300000 +0 6.90700000 +0 -0.0153 C( 312 PRO* 50) 54.11000100 +0 -1.92500000 +0 5.61100000 +0 0.5530 O( 313 PRO* 50) 53.97900000 +0 -2.46200000 +0 4.48300000 +0 -0.6038 C( 314 PRO 50) 54.57500100 +0 -3.25500000 +0 7.77500000 +0 -0.3497 C( 315 PRO 50) 54.22399900 +0 -4.74200000 +0 7.73600000 +0 0.1775 C( 316 PRO 50) 52.84500100 +0 -4.86500000 +0 7.11800000 +0 -0.0869 O( 317 PRO 50) 54.21799900 +0 -5.30800000 +0 9.09800000 +0 -0.6060 N( 318 GLY* 51) 54.75000000 +0 -0.78400000 +0 5.75700000 +0 -0.4937 C( 319 GLY* 51) 55.33100100 +0 -0.19900000 +0 4.56300000 +0 -0.1481 C( 320 GLY* 51) 56.50400200 +0 -1.00600000 +0 4.02800000 +0 0.5926 O( 321 GLY* 51) 56.85200100 +0 -2.10200000 +0 4.52200000 +0 -0.6532 N( 322 PRO* 52) 57.14199800 +0 -0.47800000 +0 2.99900000 +0 -0.4507 C( 323 PRO* 52) 58.29900000 +0 -1.09300000 +0 2.32700000 +0 0.0021 C( 324 PRO* 52) 59.55400100 +0 -0.82900000 +0 3.14400000 +0 0.6157 O( 325 PRO* 52) 59.50099900 +0 -0.09600000 +0 4.12500000 +0 -0.5993 C( 326 PRO 52) 58.30300100 +0 -0.40300000 +0 0.97400000 +0 -0.2928 C( 327 PRO 52) 57.88800000 +0 0.96500000 +0 1.37800000 +0 -0.2670 C( 328 PRO 52) 56.71500000 +0 0.73400000 +0 2.29100000 +0 -0.0758 N( 329 PRO* 53) 60.70100000 +0 -1.44400000 +0 2.75900000 +0 -0.5059 C( 330 PRO* 53) 61.94200100 +0 -1.19100000 +0 3.53700000 +0 0.0170 C( 331 PRO* 53) 62.42599900 +0 0.24300000 +0 3.54800000 +0 0.6024 O( 332 PRO* 53) 62.17400000 +0 0.95000000 +0 2.61300000 +0 -0.6622 C( 333 PRO 53) 62.97800100 +0 -2.11800000 +0 2.89800000 +0 -0.3717 C( 334 PRO 53) 62.14699900 +0 -3.22900000 +0 2.27900000 +0 0.1740 C( 335 PRO 53) 60.93100000 +0 -2.47700000 +0 1.72300000 +0 -0.0813 O( 336 PRO 53) 61.77299900 +0 -4.11100000 +0 3.32000000 +0 -0.5685 N( 337 GLY* 54) 63.13999900 +0 0.63700000 +0 4.59300000 +0 -0.5134 C( 338 GLY* 54) 63.71099900 +0 1.96900000 +0 4.62900000 +0 -0.1354 C( 339 GLY* 54) 64.90000200 +0 2.05400000 +0 3.68500000 +0 0.5901 O( 340 GLY* 54) 65.30799900 +0 1.06900000 +0 3.06600000 +0 -0.6805 N( 341 PRO* 55) 65.50099900 +0 3.22700000 +0 3.54300000 +0 -0.4513 C( 342 PRO* 55) 66.64800300 +0 3.29600000 +0 2.61000000 +0 0.0213 C( 343 PRO* 55) 67.95500200 +0 2.63900000 +0 3.24000000 +0 0.5905 O( 344 PRO* 55) 67.96499600 +0 2.16500000 +0 4.38100000 +0 -0.6133 C( 345 PRO 55) 66.75599700 +0 4.79200000 +0 2.32400000 +0 -0.2983 C( 346 PRO 55) 66.28700300 +0 5.42600000 +0 3.60500000 +0 -0.2647 C( 347 PRO 55) 65.22799700 +0 4.51300000 +0 4.21100000 +0 -0.0474 N( 348 PRO* 56) 69.05600000 +0 2.59100000 +0 2.47400000 +0 -0.4781 C( 349 PRO* 56) 70.25900300 +0 1.99100000 +0 3.05600000 +0 0.0181 C( 350 PRO* 56) 70.80400100 +0 2.72800000 +0 4.27900000 +0 0.5939 O( 351 PRO* 56) 70.48999800 +0 3.92300000 +0 4.50800000 +0 -0.6835 C( 352 PRO 56) 71.25599700 +0 1.95500000 +0 1.89800000 +0 -0.3504 C( 353 PRO 56) 70.39600400 +0 2.08600000 +0 0.65900000 +0 0.1775 C( 354 PRO 56) 69.26000200 +0 3.00000000 +0 1.08300000 +0 -0.0874 O( 355 PRO 56) 69.87000300 +0 0.83400000 +0 0.29600000 +0 -0.5806 N( 356 GLY* 57) 71.60500300 +0 2.00000000 +0 5.05700000 +0 -0.4914 C( 357 GLY* 57) 72.30000300 +0 2.58900000 +0 6.18800000 +0 -0.1448 C( 358 GLY* 57) 73.48200200 +0 3.46300000 +0 5.82000000 +0 0.5892 O( 359 GLY* 57) 73.90100100 +0 3.56300000 +0 4.66000000 +0 -0.6730 N( 360 PRO* 58) 74.03800200 +0 4.13900000 +0 6.81400000 +0 -0.4319 C( 361 PRO* 58) 75.19400000 +0 5.01600000 +0 6.65200000 +0 0.0063 C( 362 PRO* 58) 76.55200200 +0 4.32100000 +0 6.34500000 +0 0.5865 O( 363 PRO* 58) 76.75900300 +0 3.11000000 +0 6.61500000 +0 -0.6445 C( 364 PRO 58) 75.20500200 +0 5.81800000 +0 7.96000000 +0 -0.3040 C( 365 PRO 58) 73.80899800 +0 5.64200000 +0 8.51700000 +0 -0.2738 C( 366 PRO 58) 73.48000300 +0 4.22900000 +0 8.16900000 +0 -0.1042 N( 367 PRO* 59) 77.49099700 +0 5.09400000 +0 5.75200000 +0 -0.4419 C( 368 PRO* 59) 78.84999800 +0 4.66000000 +0 5.36200000 +0 0.0109 C( 369 PRO* 59) 79.78399700 +0 4.03000000 +0 6.44900000 +0 0.5477 O( 370 PRO* 59) 79.65499900 +0 4.30600000 +0 7.66100000 +0 -0.5408 C( 371 PRO 59) 79.44500000 +0 5.92600000 +0 4.72500000 +0 -0.3376 C( 372 PRO 59) 78.23300200 +0 6.68800000 +0 4.18000000 +0 0.1507 C( 373 PRO 59) 77.22899600 +0 6.48800000 +0 5.31700000 +0 -0.1317 O( 374 PRO 59) 77.74500300 +0 6.06600000 +0 2.92400000 +0 -0.5690 N( 375 GLY* 60) 80.68299900 +0 3.15800000 +0 5.96300000 +0 -0.5596 C( 376 GLY* 60) 81.68000000 +0 2.48300000 +0 6.77300000 +0 -0.1903 C( 377 GLY* 60) 83.05899800 +0 2.55700000 +0 6.13400000 +0 0.3326 O( 378+GLY* 60) 83.70200300 +0 1.54200000 +0 5.79400000 +0 -0.4587 N( 379 PRO* 61) 2.66900000 +0 -3.24300000 +0 7.81400000 +0 -0.4801 C( 380 PRO* 61) 3.62500000 +0 -2.32500000 +0 8.48000000 +0 -0.0271 C( 381 PRO* 61) 4.26000000 +0 -2.96500000 +0 9.69100000 +0 0.5709 O( 382 PRO* 61) 3.71800000 +0 -3.89200000 +0 10.30500000 +0 -0.5434 C( 383 PRO 61) 2.92600000 +0 -1.05400000 +0 8.92200000 +0 -0.2910 C( 384 PRO 61) 1.56500000 +0 -1.17500000 +0 8.31000000 +0 -0.3111 C( 385 PRO 61) 1.34700000 +0 -2.64700000 +0 8.10100000 +0 -0.0953 N( 386 PRO* 62) 5.44800000 +0 -2.48500000 +0 10.04900000 +0 -0.5048 C( 387 PRO* 62) 6.22000000 +0 -1.39700000 +0 9.39300000 +0 0.0139 C( 388 PRO* 62) 6.55000000 +0 -1.79100000 +0 7.95800000 +0 0.5650 O( 389 PRO* 62) 6.39800000 +0 -2.97100000 +0 7.61500000 +0 -0.5892 C( 390 PRO 62) 7.46800000 +0 -1.27300000 +0 10.26000000 +0 -0.3185 C( 391 PRO 62) 7.60500000 +0 -2.64600000 +0 10.93800000 +0 0.1660 C( 392 PRO 62) 6.17000000 +0 -3.07200000 +0 11.18600000 +0 -0.1147 O( 393 PRO 62) 8.21400000 +0 -2.53100000 +0 12.20300000 +0 -0.6245 N( 394 GLY* 63) 6.96900000 +0 -0.83100000 +0 7.13700000 +0 -0.4929 C( 395 GLY* 63) 7.43000000 +0 -1.15600000 +0 5.80500000 +0 -0.1529 C( 396 GLY* 63) 8.64700000 +0 -2.06900000 +0 5.89900000 +0 0.5668 O( 397 GLY* 63) 9.10200000 +0 -2.37200000 +0 7.00200000 +0 -0.5959 N( 398 PRO* 64) 9.20900000 +0 -2.53100000 +0 4.76800000 +0 -0.4836 C( 399 PRO* 64) 10.38900000 +0 -3.39800000 +0 4.89200000 +0 0.0013 C( 400 PRO* 64) 11.62400000 +0 -2.55300000 +0 5.25800000 +0 0.6109 O( 401 PRO* 64) 11.63800000 +0 -1.33200000 +0 5.01600000 +0 -0.6484 C( 402 PRO 64) 10.49300000 +0 -4.02300000 +0 3.51300000 +0 -0.2813 C( 403 PRO 64) 10.07200000 +0 -2.88700000 +0 2.63900000 +0 -0.2702 C( 404 PRO 64) 8.87800000 +0 -2.29800000 +0 3.35200000 +0 -0.0495 N( 405 PRO* 65) 12.68200000 +0 -3.19200000 +0 5.81700000 +0 -0.4741 C( 406 PRO* 65) 13.91500000 +0 -2.48400000 +0 6.19800000 +0 0.0242 C( 407 PRO* 65) 14.49700000 +0 -1.86700000 +0 4.95900000 +0 0.6303 O( 408 PRO* 65) 14.35200000 +0 -2.43600000 +0 3.90100000 +0 -0.6876 C( 409 PRO 65) 14.83300000 +0 -3.57900000 +0 6.72900000 +0 -0.3668 C( 410 PRO 65) 13.85700000 +0 -4.63600000 +0 7.18200000 +0 0.1930 C( 411 PRO 65) 12.81100000 +0 -4.63000000 +0 6.09100000 +0 -0.0977 O( 412 PRO 65) 13.28400000 +0 -4.19600000 +0 8.32100000 +0 -0.5953 N( 413 GLY* 66) 15.17700000 +0 -0.73600000 +0 5.15000000 +0 -0.5170 C( 414 GLY* 66) 15.88400000 +0 -0.06300000 +0 4.07400000 +0 -0.1578 C( 415 GLY* 66) 17.08099900 +0 -0.88700000 +0 3.61600000 +0 0.5839 O( 416 GLY* 66) 17.44599900 +0 -1.90300000 +0 4.23400000 +0 -0.6168 N( 417 PRO* 67) 17.73100100 +0 -0.46600000 +0 2.52800000 +0 -0.4847 C( 418 PRO* 67) 18.90200000 +0 -1.15000000 +0 1.95700000 +0 0.0282 C( 419 PRO* 67) 20.20800000 +0 -0.93100000 +0 2.77900000 +0 0.5927 O( 420 PRO* 67) 20.24200100 +0 -0.17000000 +0 3.74000000 +0 -0.6255 C( 421 PRO 67) 18.96999900 +0 -0.56200000 +0 0.55200000 +0 -0.3208 C( 422 PRO 67) 18.52700000 +0 0.84700000 +0 0.77100000 +0 -0.2576 C( 423 PRO 67) 17.40399900 +0 0.75800000 +0 1.77400000 +0 -0.0723 N( 424 PRO* 68) 21.28800000 +0 -1.59200000 +0 2.39800000 +0 -0.4632 C( 425 PRO* 68) 22.53400000 +0 -1.39400000 +0 3.12400000 +0 0.0004 C( 426 PRO* 68) 23.03300100 +0 0.04500000 +0 3.01800000 +0 0.5910 O( 427 PRO* 68) 22.89100100 +0 0.72500000 +0 1.99300000 +0 -0.6887 C( 428 PRO 68) 23.50400000 +0 -2.40000000 +0 2.49100000 +0 -0.3596 C( 429 PRO 68) 22.63600000 +0 -3.39900000 +0 1.72200000 +0 0.1653 C( 430 PRO 68) 21.43499900 +0 -2.57500000 +0 1.32000000 +0 -0.0892 O( 431 PRO 68) 22.13600000 +0 -4.46300000 +0 2.52600000 +0 -0.5382 N( 432 GLY* 69) 23.61000100 +0 0.48500000 +0 4.11300000 +0 -0.4824 C( 433 GLY* 69) 24.17200100 +0 1.79300000 +0 4.15400000 +0 -0.1679 C( 434 GLY* 69) 25.41000000 +0 1.84000000 +0 3.28700000 +0 0.5924 O( 435 GLY* 69) 25.79800000 +0 0.85400000 +0 2.67100000 +0 -0.6921 N( 436 PRO* 70) 26.04500000 +0 3.00600000 +0 3.23000000 +0 -0.4331 C( 437 PRO* 70) 27.24700000 +0 3.17800000 +0 2.42200000 +0 -0.0004 C( 438 PRO* 70) 28.54000100 +0 2.53300000 +0 3.00000000 +0 0.6033 O( 439 PRO* 70) 28.59800000 +0 2.14100000 +0 4.17100000 +0 -0.6396 C( 440 PRO 70) 27.30299900 +0 4.69800000 +0 2.21400000 +0 -0.2758 C( 441 PRO 70) 26.59199900 +0 5.27800000 +0 3.40700000 +0 -0.2762 C( 442 PRO 70) 25.62100000 +0 4.24100000 +0 3.89600000 +0 -0.0588 N( 443 PRO* 71) 29.56300000 +0 2.37600000 +0 2.14500000 +0 -0.4686 C( 444 PRO* 71) 30.86100000 +0 1.80400000 +0 2.50000000 +0 0.0451 C( 445 PRO* 71) 31.48300000 +0 2.59100000 +0 3.64700000 +0 0.5664 O( 446 PRO* 71) 31.29400100 +0 3.81200000 +0 3.75600000 +0 -0.6263 C( 447 PRO 71) 31.66200100 +0 1.88700000 +0 1.19400000 +0 -0.3646 C( 448 PRO 71) 30.60899900 +0 1.86000000 +0 0.09700000 +0 0.1838 C( 449 PRO 71) 29.46900000 +0 2.66300000 +0 0.69100000 +0 -0.1140 O( 450 PRO 71) 30.22900000 +0 0.54000000 +0 -0.09300000 +0 -0.6229 N( 451 GLY* 72) 32.20500200 +0 1.88100000 +0 4.48900000 +0 -0.5104 C( 452 GLY* 72) 32.86600100 +0 2.51900000 +0 5.60200000 +0 -0.1866 C( 453 GLY* 72) 33.91299800 +0 3.57200000 +0 5.30700000 +0 0.6280 O( 454 GLY* 72) 34.32300200 +0 3.71300000 +0 4.20100000 +0 -0.6610 N( 455 PRO* 73) 34.36100000 +0 4.32400000 +0 6.33400000 +0 -0.4791 C( 456 PRO* 73) 35.36899900 +0 5.33600000 +0 6.09800000 +0 0.0046 C( 457 PRO* 73) 36.72300000 +0 4.71200000 +0 5.86000000 +0 0.5899 O( 458 PRO* 73) 36.88600200 +0 3.50400000 +0 6.09200000 +0 -0.5967 C( 459 PRO 73) 35.30400100 +0 6.18400000 +0 7.36000000 +0 -0.2812 C( 460 PRO 73) 34.94900100 +0 5.18000000 +0 8.40500000 +0 -0.2875 C( 461 PRO 73) 33.95800000 +0 4.28300000 +0 7.75000000 +0 -0.0320 N( 462 PRO* 74) 37.68899900 +0 5.50900000 +0 5.32900000 +0 -0.5031 C( 463 PRO* 74) 39.10800200 +0 5.19900000 +0 5.05400000 +0 0.0830 C( 464 PRO* 74) 39.69100200 +0 4.85700000 +0 6.45100000 +0 0.5519 O( 465 PRO* 74) 39.26100200 +0 5.39000000 +0 7.46300000 +0 -0.6316 C( 466 PRO 74) 39.68700000 +0 6.50600000 +0 4.56400000 +0 -0.3716 C( 467 PRO 74) 38.53200100 +0 7.26600000 +0 3.92900000 +0 0.1730 C( 468 PRO 74) 37.34000000 +0 6.83000000 +0 4.77100000 +0 -0.1137 O( 469 PRO 74) 38.32000000 +0 6.86000000 +0 2.58200000 +0 -0.5865 N( 470 ALA* 75) 40.66400100 +0 3.98900000 +0 6.45000000 +0 -0.5313 C( 471 ALA* 75) 41.34100000 +0 3.49500000 +0 7.56700000 +0 0.0359 C( 472 ALA* 75) 42.70000100 +0 4.22400000 +0 7.59100000 +0 0.5660 O( 473 ALA* 75) 43.07000000 +0 4.91400000 +0 6.61500000 +0 -0.6251 C( 474 ALA 75) 41.51499900 +0 1.98500000 +0 7.36000000 +0 -0.4491 N( 475 PRO* 76) 43.47000100 +0 4.09800000 +0 8.71100000 +0 -0.4817 C( 476 PRO* 76) 44.79999900 +0 4.70300000 +0 8.86700000 +0 0.0194 C( 477 PRO* 76) 45.88900000 +0 3.90300000 +0 8.14300000 +0 0.5916 O( 478 PRO* 76) 45.68700000 +0 2.74900000 +0 7.81600000 +0 -0.6248 C( 479 PRO 76) 45.03900100 +0 4.69100000 +0 10.37500000 +0 -0.2954 C( 480 PRO 76) 43.76300000 +0 4.19800000 +0 10.98600000 +0 -0.2885 C( 481 PRO 76) 43.09500100 +0 3.37900000 +0 9.93100000 +0 -0.0615 N( 482 PRO* 77) 47.03900100 +0 4.52600000 +0 7.82300000 +0 -0.4956 C( 483 PRO* 77) 48.10300100 +0 3.70200000 +0 7.20800000 +0 0.0045 C( 484 PRO* 77) 48.56100100 +0 2.57700000 +0 8.13600000 +0 0.5907 O( 485 PRO* 77) 48.52999900 +0 2.71900000 +0 9.35800000 +0 -0.6302 C( 486 PRO 77) 49.29399900 +0 4.65200000 +0 7.01300000 +0 -0.3323 C( 487 PRO 77) 48.69100200 +0 6.03900000 +0 6.94400000 +0 0.1622 C( 488 PRO 77) 47.40100100 +0 5.95900000 +0 7.78700000 +0 -0.0553 O( 489 PRO 77) 48.50099900 +0 6.31700000 +0 5.49900000 +0 -0.6011 N( 490 GLY* 78) 49.03799800 +0 1.51600000 +0 7.51400000 +0 -0.5153 C( 491 GLY* 78) 49.74399900 +0 0.44700000 +0 8.20500000 +0 -0.1469 C( 492 GLY* 78) 50.96600000 +0 0.96600000 +0 8.97100000 +0 0.6058 O( 493 GLY* 78) 51.28900100 +0 2.17400000 +0 8.98700000 +0 -0.6819 N( 494 PRO* 79) 51.68100000 +0 0.07300000 +0 9.61800000 +0 -0.4307 C( 495 PRO* 79) 52.84600100 +0 0.41800000 +0 10.44200000 +0 -0.0060 C( 496 PRO* 79) 54.07799900 +0 0.59600000 +0 9.59000000 +0 0.6190 O( 497 PRO* 79) 54.04200000 +0 0.23800000 +0 8.42400000 +0 -0.6302 C( 498 PRO 79) 52.91999800 +0 -0.73800000 +0 11.40300000 +0 -0.2950 C( 499 PRO 79) 52.52700000 +0 -1.90000000 +0 10.54800000 +0 -0.2821 C( 500 PRO 79) 51.48300200 +0 -1.38800000 +0 9.55600000 +0 -0.0687 N( 501 PRO* 80) 55.13800000 +0 1.21800000 +0 10.13000000 +0 -0.4994 C( 502 PRO* 80) 56.35599900 +0 1.40500000 +0 9.34700000 +0 -0.0045 C( 503 PRO* 80) 56.91700000 +0 0.09300000 +0 8.82900000 +0 0.5667 O( 504 PRO* 80) 56.71900200 +0 -0.98100000 +0 9.46100000 +0 -0.6393 C( 505 PRO 80) 57.32600000 +0 2.04300000 +0 10.31400000 +0 -0.3673 C( 506 PRO 80) 56.48199800 +0 2.78100000 +0 11.31700000 +0 0.1823 C( 507 PRO 80) 55.26599900 +0 1.86200000 +0 11.45300000 +0 -0.1225 O( 508 PRO 80) 56.16099900 +0 4.05900000 +0 10.73700000 +0 -0.5697 N( 509 GLY* 81) 57.61899900 +0 0.18600000 +0 7.68700000 +0 -0.4979 C( 510 GLY* 81) 58.30500000 +0 -0.95900000 +0 7.13200000 +0 -0.1497 C( 511 GLY* 81) 59.61800000 +0 -1.28400000 +0 7.82400000 +0 0.5825 O( 512 GLY* 81) 60.06399900 +0 -0.58000000 +0 8.72600000 +0 -0.6319 N( 513 PRO* 82) 60.26599900 +0 -2.39200000 +0 7.44300000 +0 -0.4714 C( 514 PRO* 82) 61.55400100 +0 -2.78000000 +0 8.02600000 +0 0.0248 C( 515 PRO* 82) 62.69599900 +0 -1.83100000 +0 7.68800000 +0 0.6041 O( 516 PRO* 82) 62.66799900 +0 -1.11900000 +0 6.66200000 +0 -0.6361 C( 517 PRO 82) 61.79299900 +0 -4.18000000 +0 7.47700000 +0 -0.2887 C( 518 PRO 82) 60.47399900 +0 -4.64000000 +0 7.01200000 +0 -0.2963 C( 519 PRO 82) 59.74200100 +0 -3.44000000 +0 6.56200000 +0 -0.0498 N( 520 PRO* 83) 63.72000100 +0 -1.78900000 +0 8.55400000 +0 -0.4720 C( 521 PRO* 83) 64.87999700 +0 -0.93300000 +0 8.26100000 +0 0.0247 C( 522 PRO* 83) 65.43499800 +0 -1.44200000 +0 6.94000000 +0 0.5746 O( 523 PRO* 83) 65.23200200 +0 -2.63700000 +0 6.63500000 +0 -0.6464 C( 524 PRO 83) 65.85800200 +0 -1.20100000 +0 9.38600000 +0 -0.3686 C( 525 PRO 83) 65.00800300 +0 -1.73900000 +0 10.52500000 +0 0.2067 C( 526 PRO 83) 63.85200100 +0 -2.46600000 +0 9.84400000 +0 -0.0952 O( 527 PRO 83) 64.57800300 +0 -0.64600000 +0 11.21000000 +0 -0.6365 N( 528 GLY* 84) 66.11799600 +0 -0.57700000 +0 6.19600000 +0 -0.5030 C( 529 GLY* 84) 66.70200300 +0 -0.97600000 +0 4.91200000 +0 -0.1394 C( 530 GLY* 84) 68.03600300 +0 -1.71700000 +0 5.03700000 +0 0.5823 O( 531 GLY* 84) 68.45099600 +0 -2.02800000 +0 6.14100000 +0 -0.6046 N( 532 PRO* 85) 68.74900100 +0 -2.00500000 +0 3.92400000 +0 -0.4893 C( 533 PRO* 85) 70.02100400 +0 -2.73300000 +0 4.04000000 +0 0.0246 C( 534 PRO* 85) 71.14700300 +0 -1.93200000 +0 4.72500000 +0 0.5973 O( 535 PRO* 85) 71.04200000 +0 -0.70300000 +0 4.91600000 +0 -0.6316 C( 536 PRO 85) 70.37100200 +0 -3.09500000 +0 2.61100000 +0 -0.2922 C( 537 PRO 85) 69.80200200 +0 -1.94200000 +0 1.86400000 +0 -0.2777 C( 538 PRO 85) 68.49500300 +0 -1.59700000 +0 2.53400000 +0 -0.0476 N( 539 PRO* 86) 72.23799900 +0 -2.63600000 +0 5.11000000 +0 -0.4999 C( 540 PRO* 86) 73.38500200 +0 -1.98500000 +0 5.76100000 +0 -0.0005 C( 541 PRO* 86) 73.98799900 +0 -0.99300000 +0 4.78700000 +0 0.5478 O( 542 PRO* 86) 73.99700200 +0 -1.22200000 +0 3.57700000 +0 -0.5725 C( 543 PRO 86) 74.32000000 +0 -3.14900000 +0 6.13100000 +0 -0.3498 C( 544 PRO 86) 73.40799700 +0 -4.37600000 +0 6.18000000 +0 0.1884 C( 545 PRO 86) 72.43000000 +0 -4.09400000 +0 5.03500000 +0 -0.1325 O( 546 PRO 86) 72.74600200 +0 -4.42300000 +0 7.44200000 +0 -0.5824 N( 547 GLY* 87) 74.44000200 +0 0.11600000 +0 5.33000000 +0 -0.5034 C( 548 GLY* 87) 75.00000000 +0 1.12700000 +0 4.50200000 +0 -0.1662 C( 549 GLY* 87) 76.21299700 +0 0.63600000 +0 3.78900000 +0 0.5639 O( 550 GLY* 87) 76.62999700 +0 -0.54700000 +0 3.88400000 +0 -0.6124 N( 551 PRO* 88) 76.83699800 +0 1.55900000 +0 3.07100000 +0 -0.4553 C( 552 PRO* 88) 78.03199800 +0 1.22000000 +0 2.31800000 +0 -0.0018 C( 553 PRO* 88) 79.23400100 +0 1.14100000 +0 3.25600000 +0 0.5961 O( 554 PRO* 88) 79.36499800 +0 1.93200000 +0 4.19600000 +0 -0.6459 C( 555 PRO 88) 78.16300200 +0 2.34900000 +0 1.31300000 +0 -0.2771 C( 556 PRO 88) 77.01499900 +0 3.28600000 +0 1.56700000 +0 -0.2817 C( 557 PRO 88) 76.52200300 +0 2.98600000 +0 2.95700000 +0 -0.0645 N( 558 PRO* 89) 80.08899700 +0 0.14900000 +0 3.03500000 +0 -0.4558 C( 559 PRO 89) 81.35399600 +0 -0.16400000 +0 3.70300000 +0 0.0053 C( 560 PRO 89) 82.42199700 +0 0.82700000 +0 3.22100000 +0 0.2988 O( 561 PRO 89) 82.39900200 +0 1.28100000 +0 2.05400000 +0 -0.4413 C( 562 PRO 89) 81.64499700 +0 -1.61000000 +0 3.28200000 +0 -0.3647 C( 563 PRO* 89) 80.95099600 +0 -1.75500000 +0 1.92600000 +0 0.1475 C( 564 PRO* 89) 79.69500000 +0 -0.91200000 +0 2.10000000 +0 -0.1220 O( 565 PRO* 89) 80.52100400 +0 -3.11500000 +0 1.65100000 +0 -0.5637 C( 566 C ) 14.64700000 +0 -6.02600000 +0 3.45200000 +0 0.6813 O( 567 O ) 15.71300000 +0 -5.93100000 +0 4.05700000 +0 -0.5831 O( 568 O ) 14.26600000 +0 -5.08800000 +0 2.63200000 +0 -0.5392 C( 569 C ) 13.66200000 +0 -7.17300000 +0 3.57700000 +0 -0.4953 C( 570 C ) 25.56100100 +0 3.82500000 +0 14.24000000 +0 0.6760 O( 571 O ) 26.55699900 +0 3.75700000 +0 14.97200000 +0 -0.5556 O( 572 O ) 25.15200000 +0 2.80000000 +0 13.54200000 +0 -0.6220 C( 573 C ) 24.70299900 +0 5.05100000 +0 14.04600000 +0 -0.4968 C( 574 C ) 19.21999900 +0 7.46100000 +0 7.51900000 +0 0.7105 O( 575 O ) 19.62100000 +0 7.43800000 +0 8.67800000 +0 -0.5762 O( 576 O ) 19.60600100 +0 6.56800000 +0 6.65200000 +0 -0.5737 C( 577 C ) 18.24900100 +0 8.47100000 +0 6.96100000 +0 -0.5086 C( 578 C ) 34.67599900 +0 2.61000000 +0 -0.95800000 +0 0.6468 O( 579 O ) 34.56700100 +0 3.03300000 +0 -2.10100000 +0 -0.4559 O( 580 O ) 34.38399900 +0 3.35700000 +0 0.07100000 +0 -0.5333 C( 581 C ) 35.11600100 +0 1.22100000 +0 -0.60900000 +0 -0.5858 C( 582 C ) 32.10800200 +0 6.14400000 +0 -0.04100000 +0 0.6858 O( 583 O ) 31.24099900 +0 5.88400000 +0 0.79900000 +0 -0.5813 O( 584 O ) 32.47900000 +0 5.26900000 +0 -0.95200000 +0 -0.5102 C( 585 C ) 32.82799900 +0 7.46500000 +0 -0.14000000 +0 -0.4978 C( 586 C ) 14.99600000 +0 3.32600000 +0 13.93600000 +0 0.6501 O( 587 O ) 15.49900000 +0 4.41700000 +0 13.67200000 +0 -0.5731 O( 588 O ) 15.58400000 +0 2.45200000 +0 14.70400000 +0 -0.5445 C( 589 C ) 13.66700000 +0 2.86200000 +0 13.42100000 +0 -0.5007 O( 590 HOH 201) 11.40900000 +0 -6.02100000 +0 0.48000000 +0 -0.7001 O( 591 HOH 202) 14.84400000 +0 -2.11300000 +0 1.02400000 +0 -0.7214 O( 592 HOH 203) 9.42700000 +0 -0.11400000 +0 12.84100000 +0 -0.7184 O( 593 HOH 204) 12.56300000 +0 -3.58800000 +0 -0.03900000 +0 -0.6932 O( 594 HOH 205) 15.70700000 +0 -4.53200000 +0 9.79100000 +0 -0.7158 O( 595 HOH 206) 80.14399700 +0 0.54500000 +0 10.39500000 +0 -0.6882 O( 596 HOH 207) 12.56900000 +0 2.82000000 +0 10.98800000 +0 -0.7219 O( 597 HOH 208) 42.75199900 +0 -2.77900000 +0 5.46000000 +0 -0.7501 O( 598 HOH 209) 62.08400000 +0 0.32000000 +0 15.19300000 +0 -0.6768 O( 599 HOH 210) 17.94800000 +0 -4.79000000 +0 3.85300000 +0 -0.7424 O( 600 HOH 211) 23.07000000 +0 3.45100000 +0 1.01100000 +0 -0.7275 O( 601 HOH 212) 41.67699800 +0 3.63800000 +0 1.53100000 +0 -0.7439 O( 602 HOH 213) 26.06600000 +0 -4.82500000 +0 4.58000000 +0 -0.7120 O( 603 HOH 214) 56.48400100 +0 -1.09300000 +0 12.33500000 +0 -0.7105 O( 604 HOH 215) 31.93199900 +0 -6.37900000 +0 7.99000000 +0 -0.7129 O( 605 HOH 216) 31.88100100 +0 6.34500000 +0 4.80200000 +0 -0.7201 O( 606 HOH 217) 54.58700200 +0 -5.23800000 +0 3.13000000 +0 -0.7235 O( 607 HOH 218) 28.36500000 +0 -4.40900000 +0 10.03100000 +0 -0.7320 O( 608 HOH 219) 41.40000200 +0 -5.16500000 +0 3.99400000 +0 -0.6879 O( 609 HOH 220) 34.25700000 +0 5.28800000 +0 1.81600000 +0 -0.6839 O( 610 HOH 221) 51.21600000 +0 5.69600000 +0 4.96000000 +0 -0.7086 O( 611 HOH 222) 57.01599900 +0 -5.04100000 +0 4.27800000 +0 -0.7088 O( 612 HOH 223) 32.28699900 +0 -0.72900000 +0 -1.17900000 +0 -0.6750 O( 613 HOH 224) 28.14100100 +0 1.31300000 +0 -1.68100000 +0 -0.7142 O( 614 HOH 225) 28.71200000 +0 3.41200000 +0 11.80700000 +0 -0.7009 O( 615 HOH 226) 26.35600100 +0 0.74500000 +0 12.78800000 +0 -0.6610 O( 616 HOH 227) 51.48899800 +0 4.00600000 +0 11.02500000 +0 -0.7218 O( 617 HOH 228) 59.70200000 +0 1.90300000 +0 -1.69900000 +0 -0.6735 O( 618 HOH 229) 69.63700100 +0 7.42100000 +0 2.67000000 +0 -0.6800 O( 619 HOH 230) 53.78599900 +0 5.30800000 +0 11.69500000 +0 -0.7267 O( 620 HOH 231) 20.59300000 +0 3.07900000 +0 11.30100000 +0 -0.6740 O( 621 HOH 232) 23.13200000 +0 6.04100000 +0 5.89400000 +0 -0.6907 O( 622 HOH 233) 62.43899900 +0 -0.96200000 +0 12.97800000 +0 -0.7148 O( 623 HOH 234) 29.55100100 +0 -4.46500000 +0 7.41000000 +0 -0.7328 O( 624 HOH 235) 45.33400000 +0 1.74600000 +0 13.39700000 +0 -0.6676 O( 625 HOH 236) 36.03099800 +0 -4.30900000 +0 8.25100000 +0 -0.7397 O( 626 HOH 237) 71.53299700 +0 3.34100000 +0 11.37700000 +0 -0.7192 O( 627 HOH 238) 45.84299900 +0 -6.22600000 +0 10.69500000 +0 -0.7169 O( 628 HOH 239) 4.86800000 +0 -1.19500000 +0 -0.05500000 +0 -0.6641 O( 629 HOH 240) 49.14799900 +0 -5.37300000 +0 9.33700000 +0 -0.7248 O( 630 HOH 241) 66.39700300 +0 0.63400000 +0 13.02800000 +0 -0.7229 O( 631 HOH 242) 11.57300000 +0 6.67800000 +0 5.95600000 +0 -0.6669 O( 632 HOH 243) 65.72200000 +0 -0.40300000 +0 0.66100000 +0 -0.6970 O( 633 HOH 244) 70.52100400 +0 -6.18700000 +0 7.83500000 +0 -0.6747 O( 634 HOH 245) 48.61700100 +0 4.64700000 +0 12.03800000 +0 -0.6902 O( 635 HOH 246) 10.35400000 +0 5.98300000 +0 3.42300000 +0 -0.7130 O( 636 HOH 247) 74.77600100 +0 5.78200000 +0 3.33800000 +0 -0.7407 O( 637 HOH 248) 76.63700100 +0 -1.87800000 +0 11.68800000 +0 -0.6855 O( 638 HOH 249) 23.27199900 +0 6.08800000 +0 1.48700000 +0 -0.7045 O( 639 HOH 250) 43.46400100 +0 5.88700000 +0 3.72700000 +0 -0.7055 O( 640 HOH 251) 34.50999800 +0 3.85500000 +0 12.17100000 +0 -0.6857 O( 641 HOH 252) 41.13200000 +0 3.28700000 +0 3.97500000 +0 -0.6875 O( 642 HOH 253) 17.94800000 +0 -3.68700000 +0 8.80100000 +0 -0.7388 O( 643 HOH 254) 61.65700100 +0 6.17700000 +0 6.13100000 +0 -0.7048 O( 644 HOH 255) 17.49000000 +0 5.90000000 +0 9.60300000 +0 -0.7194 O( 645 HOH 256) 20.69000100 +0 -1.09300000 +0 10.88800000 +0 -0.7069 O( 646 HOH 257) 22.04999900 +0 0.31800000 +0 -0.63500000 +0 -0.7466 O( 647 HOH 258) 24.19400000 +0 -0.55900000 +0 -2.22600000 +0 -0.6842 O( 648 HOH 259) 62.91400100 +0 2.92800000 +0 0.97800000 +0 -0.7340 O( 649 HOH 260) 25.97100100 +0 -0.12200000 +0 0.23000000 +0 -0.7240 O( 650 HOH 261) 45.43700000 +0 -4.04300000 +0 2.12700000 +0 -0.7118 O( 651 HOH 262) 26.40000000 +0 -5.85000000 +0 10.17100000 +0 -0.6797 O( 652 HOH 263) 40.54999900 +0 6.04700000 +0 0.81200000 +0 -0.6984 O( 653 HOH 264) 29.39900000 +0 7.83400000 +0 5.09000000 +0 -0.7051 O( 654 HOH 265) 28.77100000 +0 -1.49400000 +0 10.90700000 +0 -0.6964 O( 655 HOH 266) 57.58200100 +0 -5.98100000 +0 7.21700000 +0 -0.6778 O( 656 HOH 267) 64.44300100 +0 -4.92400000 +0 4.81000000 +0 -0.7062 O( 657 HOH 268) 22.00499900 +0 1.40200000 +0 14.16000000 +0 -0.6854 O( 658 HOH 269) 77.25000000 +0 9.69000000 +0 2.54400000 +0 -0.6784 O( 659 HOH 270) 45.41400100 +0 0.54600000 +0 9.52700000 +0 -0.7355 O( 660 HOH 271) 38.12699900 +0 5.61100000 +0 10.29100000 +0 -0.7005 O( 661 HOH 272) 51.81700100 +0 -6.47100000 +0 10.73100000 +0 -0.6818 O( 662 HOH 273) 38.47200000 +0 1.43400000 +0 5.64400000 +0 -0.8010 O( 663 HOH 274) 47.17599900 +0 -2.17400000 +0 1.67900000 +0 -0.7367 O( 664 HOH 275) 12.06400000 +0 0.55700000 +0 13.05100000 +0 -0.7269 O( 665 HOH 276) 70.53600300 +0 -0.00700000 +0 14.81600000 +0 -0.6666 O( 666 HOH 277) 68.96099900 +0 5.66200000 +0 11.27000000 +0 -0.6743 O( 667 HOH 278) 2.93600000 +0 0.36200000 +0 14.40200000 +0 -0.6553 O( 668 HOH 279) 59.91500100 +0 4.08100000 +0 0.14200000 +0 -0.7136 O( 669 HOH 280) 71.67800100 +0 6.26400000 +0 5.35600000 +0 -0.7445 O( 670 HOH 281) 69.00000000 +0 6.97000000 +0 5.32300000 +0 -0.7161 O( 671 HOH 282) 70.99900100 +0 -1.50300000 +0 -1.50200000 +0 -0.6848 O( 672 HOH 283) 72.47200000 +0 -4.88400000 +0 0.20900000 +0 -0.6717 O( 673 HOH 284) 71.43900300 +0 0.93500000 +0 12.46700000 +0 -0.7725 O( 674 HOH 285) 68.58899700 +0 0.91400000 +0 11.29100000 +0 -0.7685 H( 675 PRO* 1) 3.63500979 +1 2.25751238 +1 7.40259851 +1 0.2712 H( 676 PRO* 1) 4.71963539 +1 4.72766473 +1 8.16816997 +1 0.1576 H( 677 PRO 1) 5.62948239 +1 3.31755891 +1 10.48294341 +1 0.1593 H( 678 PRO 1) 4.38516144 +1 4.56471081 +1 10.47134941 +1 0.1501 H( 679 PRO 1) 4.02586368 +1 1.52285122 +1 10.27666602 +1 0.1597 H( 680 PRO 1) 3.11191077 +1 2.65626083 +1 11.27630157 +1 0.1477 H( 681 PRO 1) 2.00005140 +1 1.83251281 +1 8.94065005 +1 0.1416 H( 682 PRO 1) 1.90658016 +1 3.56795731 +1 9.33543858 +1 0.1434 H( 683 PRO* 2) 7.96495178 +1 2.40194524 +1 6.01026758 +1 0.2019 H( 684 PRO 2) 10.02788839 +1 4.20693632 +1 7.26065308 +1 0.1738 H( 685 PRO 2) 9.48194936 +1 4.11510208 +1 5.57427937 +1 0.1836 H( 686 PRO 2) 8.76639345 +1 6.19851209 +1 7.48022968 +1 0.1359 H( 687 PRO 2) 6.79838412 +1 5.40564398 +1 8.45796467 +1 0.1454 H( 688 PRO 2) 6.09411524 +1 5.31691935 +1 6.78914167 +1 0.1650 H( 689 PRO 2) 8.87850896 +1 6.08796295 +1 5.03798613 +1 0.3633 H( 690 GLY* 3) 9.69634872 +1 0.89116523 +1 6.30872374 +1 0.3475 H( 691 GLY* 3) 10.48890785 +1 -0.91634458 +1 7.49035458 +1 0.2204 H( 692 GLY* 3) 9.60007167 +1 -0.34623833 +1 8.96932615 +1 0.1684 H( 693 PRO* 4) 13.37252460 +1 0.68010477 +1 10.95748578 +1 0.1828 H( 694 PRO 4) 14.56627758 +1 -2.05001662 +1 10.22941442 +1 0.1619 H( 695 PRO 4) 14.30811672 +1 -1.34236515 +1 11.82497694 +1 0.1467 H( 696 PRO 4) 12.61669726 +1 -3.27014584 +1 10.94852661 +1 0.1524 H( 697 PRO 4) 11.94807927 +1 -1.88610667 +1 11.81579585 +1 0.1478 H( 698 PRO 4) 12.09149173 +1 -2.33313393 +1 8.76250871 +1 0.1834 H( 699 PRO 4) 10.70524910 +1 -1.77637646 +1 9.75861993 +1 0.1544 H( 700 PRO* 5) 16.63794665 +1 2.11596028 +1 8.31348201 +1 0.1933 H( 701 PRO 5) 18.58704933 +1 1.18229393 +1 10.52644054 +1 0.1848 H( 702 PRO 5) 18.46433343 +1 2.74973341 +1 9.76797835 +1 0.1991 H( 703 PRO 5) 17.41076148 +1 2.49571782 +1 12.24505007 +1 0.1244 H( 704 PRO 5) 16.14767274 +1 0.39656079 +1 11.85914089 +1 0.1502 H( 705 PRO 5) 14.87027181 +1 1.64642592 +1 11.62975631 +1 0.1525 H( 706 PRO 5) 15.78896332 +1 4.01794012 +1 11.55890835 +1 0.3486 H( 707 GLY* 6) 18.30614091 +1 1.23969673 +1 6.89984910 +1 0.3725 H( 708 GLY* 6) 19.19281983 +1 -0.39696875 +1 5.61019808 +1 0.2341 H( 709 GLY* 6) 18.20010538 +1 -1.60248441 +1 6.46550251 +1 0.1945 H( 710 PRO* 7) 21.65651707 +1 -2.64156665 +1 8.87061050 +1 0.1683 H( 711 PRO 7) 23.07230299 +1 -4.63629467 +1 7.56354424 +1 0.1632 H( 712 PRO 7) 21.40746863 +1 -4.88901076 +1 8.08514239 +1 0.1615 H( 713 PRO 7) 22.40469759 +1 -3.90281517 +1 5.33029752 +1 0.1535 H( 714 PRO 7) 21.36858683 +1 -5.28549522 +1 5.63051258 +1 0.1693 H( 715 PRO 7) 20.24968143 +1 -2.87404871 +1 4.96618457 +1 0.1731 H( 716 PRO 7) 19.44041320 +1 -3.89796081 +1 6.17829458 +1 0.1531 H( 717 PRO* 8) 25.26800204 +1 -0.30441704 +1 8.39285395 +1 0.1935 H( 718 PRO 8) 27.09514600 +1 -1.18987167 +1 9.63141177 +1 0.1733 H( 719 PRO 8) 27.04071675 +1 -2.79813892 +1 8.87666229 +1 0.1711 H( 720 PRO 8) 25.91052816 +1 -3.17648680 +1 11.06549601 +1 0.1243 H( 721 PRO 8) 24.56941328 +1 -4.10467728 +1 9.19881113 +1 0.1593 H( 722 PRO 8) 23.36690147 +1 -3.07872834 +1 10.07764536 +1 0.1617 H( 723 PRO 8) 25.69707293 +1 -0.86447472 +1 11.54384763 +1 0.3352 H( 724 GLY* 9) 26.72707523 +1 0.30524083 +1 6.65770109 +1 0.3750 H( 725 GLY* 9) 27.42239275 +1 0.26397215 +1 4.49002849 +1 0.2211 H( 726 GLY* 9) 26.44152468 +1 -1.21022504 +1 4.19658801 +1 0.1786 H( 727 PRO* 10) 30.01390533 +1 -3.62012136 +1 4.67525994 +1 0.1648 H( 728 PRO 10) 31.41731888 +1 -3.63032385 +1 2.26335673 +1 0.1526 H( 729 PRO 10) 29.77968318 +1 -4.27960724 +1 2.39064040 +1 0.1653 H( 730 PRO 10) 30.60447891 +1 -1.39516261 +1 1.61302536 +1 0.1611 H( 731 PRO 10) 29.63954226 +1 -2.51187201 +1 0.65016508 +1 0.1496 H( 732 PRO 10) 28.37846727 +1 -0.69374246 +1 2.25992948 +1 0.1644 H( 733 PRO 10) 27.72268688 +1 -2.36766181 +1 2.18810484 +1 0.1549 H( 734 PRO* 11) 33.83255450 +1 -2.15685121 +1 6.21537693 +1 0.1757 H( 735 PRO 11) 35.65280581 +1 -3.64293121 +1 5.43586916 +1 0.1754 H( 736 PRO 11) 34.99971641 +1 -3.74539156 +1 3.80669161 +1 0.1835 H( 737 PRO 11) 34.07141832 +1 -5.82875181 +1 4.83629791 +1 0.1289 H( 738 PRO 11) 32.01137111 +1 -4.88341280 +1 4.06058601 +1 0.1465 H( 739 PRO 11) 31.70770657 +1 -4.60461501 +1 5.81671338 +1 0.1667 H( 740 PRO 11) 34.79895244 +1 -4.58406570 +1 7.10310820 +1 0.3947 H( 741 GLY* 12) 35.17525425 +1 -0.31598298 +1 5.89971473 +1 0.3648 H( 742 GLY* 12) 36.03041677 +1 1.47344270 +1 4.80985563 +1 0.2060 H( 743 GLY* 12) 34.88500029 +1 1.15042396 +1 3.44359243 +1 0.1898 H( 744 PRO* 13) 38.21223957 +1 0.20092563 +1 0.89056119 +1 0.1597 H( 745 PRO 13) 39.76682179 +1 2.74564246 +1 1.54178985 +1 0.1785 H( 746 PRO 13) 39.06514417 +1 2.25782915 +1 0.01734089 +1 0.1536 H( 747 PRO 13) 37.88259918 +1 4.20449158 +1 1.47861250 +1 0.1785 H( 748 PRO 13) 36.89085711 +1 3.07908230 +1 0.59369353 +1 0.1583 H( 749 PRO 13) 37.58310147 +1 3.02967230 +1 3.59771907 +1 0.1483 H( 750 PRO 13) 36.00740742 +1 2.77810878 +1 2.81827575 +1 0.1669 H( 751 PRO* 14) 41.33657330 +1 -1.73622272 +1 3.35857010 +1 0.1753 H( 752 PRO 14) 43.04691384 +1 -1.38546391 +1 0.79465597 +1 0.1833 H( 753 PRO 14) 42.92823762 +1 -2.79386149 +1 1.83876963 +1 0.1818 H( 754 PRO 14) 41.40326776 +1 -2.90397569 +1 -0.37170274 +1 0.1542 H( 755 PRO 14) 40.49441844 +1 -0.56597629 +1 -0.31140984 +1 0.1614 H( 756 PRO 14) 39.17347748 +1 -1.51808936 +1 0.45668692 +1 0.1659 H( 757 PRO 14) 40.04672729 +1 -3.21659446 +1 2.10826575 +1 0.3283 H( 758 ALA* 15) 42.77459331 +1 -1.04036566 +1 4.81761711 +1 0.3703 H( 759 ALA* 15) 43.40578892 +1 1.79896729 +1 5.06400832 +1 0.1499 H( 760 ALA 15) 44.66247679 +1 -0.68263569 +1 6.45088597 +1 0.1911 H( 761 ALA 15) 43.08871517 +1 -0.08659035 +1 6.93078156 +1 0.1921 H( 762 ALA 15) 44.51486136 +1 0.95431257 +1 7.10916423 +1 0.1882 H( 763 PRO* 16) 46.68988735 +1 1.19980561 +1 2.24826108 +1 0.1565 H( 764 PRO 16) 48.28677022 +1 3.47471591 +1 2.55906492 +1 0.1599 H( 765 PRO 16) 46.67347505 +1 3.52299630 +1 1.82715028 +1 0.1454 H( 766 PRO 16) 47.46357397 +1 4.11918528 +1 4.73612264 +1 0.1613 H( 767 PRO 16) 46.47928668 +1 5.10041045 +1 3.69114230 +1 0.1639 H( 768 PRO 16) 45.29525792 +1 3.35951973 +1 5.48259412 +1 0.1735 H( 769 PRO 16) 44.54644430 +1 3.66419606 +1 3.87189151 +1 0.1476 H( 770 PRO* 17) 50.09928047 +1 -0.66316910 +1 4.29892375 +1 0.1922 H( 771 PRO 17) 52.13311499 +1 0.39286726 +1 2.33342465 +1 0.1804 H( 772 PRO 17) 51.58520953 +1 -1.25892891 +1 2.53670244 +1 0.1756 H( 773 PRO 17) 50.86881215 +1 0.26838267 +1 0.30311026 +1 0.1267 H( 774 PRO 17) 49.53891160 +1 2.00396645 +1 1.33887457 +1 0.1626 H( 775 PRO 17) 48.26692803 +1 0.74142497 +1 1.13115987 +1 0.1612 H( 776 PRO 17) 50.32814434 +1 -2.01232511 +1 0.86426242 +1 0.3381 H( 777 GLY* 18) 52.25834351 +1 -0.08588140 +1 5.51566706 +1 0.3583 H( 778 GLY* 18) 53.05202146 +1 1.40679114 +1 7.07951032 +1 0.2103 H( 779 GLY* 18) 51.81757542 +1 2.60293438 +1 6.56477694 +1 0.1896 H( 780 PRO* 19) 55.05836735 +1 4.95783528 +1 4.84728306 +1 0.1535 H( 781 PRO 19) 56.47077240 +1 5.59382749 +1 7.38510574 +1 0.1672 H( 782 PRO 19) 55.39326216 +1 6.63819140 +1 6.47409548 +1 0.1463 H( 783 PRO 19) 54.74733783 +1 5.54493517 +1 8.97720414 +1 0.1598 H( 784 PRO 19) 53.56618349 +1 6.14335613 +1 7.83418196 +1 0.1598 H( 785 PRO 19) 54.29319298 +1 3.24540471 +1 8.41285322 +1 0.1454 H( 786 PRO 19) 52.74556870 +1 3.93401552 +1 7.85317623 +1 0.1587 H( 787 PRO* 20) 58.50885852 +1 2.28240196 +1 4.23084693 +1 0.1880 H( 788 PRO 20) 60.39770842 +1 4.71207404 +1 4.41413931 +1 0.1846 H( 789 PRO 20) 60.24786929 +1 3.53231292 +1 3.11946586 +1 0.1707 H( 790 PRO 20) 59.17179909 +1 5.96686894 +1 2.70239773 +1 0.1192 H( 791 PRO 20) 57.96679830 +1 6.17235538 +1 4.85372249 +1 0.1513 H( 792 PRO 20) 56.66543427 +1 5.62380841 +1 3.72565386 +1 0.1599 H( 793 PRO 20) 58.66339060 +1 4.23885768 +1 1.31487770 +1 0.3618 H( 794 GLY* 21) 60.45247644 +1 1.34600122 +1 5.39911144 +1 0.3576 H( 795 GLY* 21) 61.41565674 +1 0.71150347 +1 7.39131422 +1 0.2124 H( 796 GLY* 21) 60.31267141 +1 1.81468128 +1 8.28767253 +1 0.1952 H( 797 PRO* 22) 63.74250911 +1 4.57306489 +1 8.46889796 +1 0.1702 H( 798 PRO 22) 65.32794255 +1 3.58086364 +1 10.58871804 +1 0.1546 H( 799 PRO 22) 63.70189287 +1 4.22562064 +1 10.82547918 +1 0.1502 H( 800 PRO 22) 64.66056840 +1 1.40163264 +1 10.84170042 +1 0.1604 H( 801 PRO 22) 63.21978854 +1 2.05975440 +1 11.61243668 +1 0.1582 H( 802 PRO 22) 63.36587026 +1 0.59551784 +1 9.05923211 +1 0.1696 H( 803 PRO 22) 61.90169702 +1 1.26708090 +1 9.83496014 +1 0.1498 H( 804 PRO* 23) 67.35666370 +1 3.56061649 +1 6.15030800 +1 0.2026 H( 805 PRO 23) 69.08285090 +1 4.72751788 +1 8.43410127 +1 0.1737 H( 806 PRO 23) 69.05790143 +1 5.18984747 +1 6.74147442 +1 0.1596 H( 807 PRO 23) 67.79558107 +1 6.84868681 +1 8.45604678 +1 0.1222 H( 808 PRO 23) 66.70059098 +1 5.01631977 +1 9.77319294 +1 0.1636 H( 809 PRO 23) 65.37207241 +1 5.72354094 +1 8.77181935 +1 0.1598 H( 810 PRO 23) 67.33924733 +1 6.85154411 +1 6.18123680 +1 0.3557 H( 811 GLY* 24) 69.13037849 +1 1.92160016 +1 6.15698384 +1 0.3610 H( 812 GLY* 24) 69.91826989 +1 -0.11951191 +1 6.85000060 +1 0.2189 H( 813 GLY* 24) 68.83037875 +1 -0.06426160 +1 8.27146430 +1 0.1906 H( 814 PRO* 25) 72.39375695 +1 0.88250187 +1 10.65825700 +1 0.1831 H( 815 PRO 25) 73.70510713 +1 -1.54455736 +1 11.02992528 +1 0.1727 H( 816 PRO 25) 72.07514473 +1 -1.26564238 +1 11.62211762 +1 0.1729 H( 817 PRO 25) 72.98342546 +1 -2.63916543 +1 9.05271527 +1 0.1524 H( 818 PRO 25) 71.75507780 +1 -3.19583787 +1 10.18509861 +1 0.1604 H( 819 PRO 25) 71.10406082 +1 -1.83320029 +1 7.79936524 +1 0.1608 H( 820 PRO 25) 70.05945288 +1 -1.78163201 +1 9.25627051 +1 0.1617 H( 821 PRO* 26) 75.89373523 +1 2.09984854 +1 8.19263307 +1 0.1973 H( 822 PRO 26) 77.86647642 +1 2.52776963 +1 9.61455708 +1 0.1993 H( 823 PRO 26) 77.63453238 +1 1.07788601 +1 10.57460325 +1 0.1930 H( 824 PRO 26) 76.53697392 +1 2.87287241 +1 11.96850287 +1 0.1565 H( 825 PRO 26) 74.86197437 +1 1.07336920 +1 11.84583616 +1 0.1711 H( 826 PRO 26) 73.95059391 +1 2.40998950 +1 11.06588511 +1 0.1396 H( 827 PRO 26) 75.99385552 +1 3.86956385 +1 9.38876700 +1 0.3321 H( 828 GLY* 27) 77.68584252 +1 1.38384418 +1 6.93695513 +1 0.3597 H( 829 GLY* 27) 78.34546858 +1 -0.24588185 +1 5.43753658 +1 0.1951 H( 830 GLY* 27) 77.43379330 +1 -1.48459401 +1 6.35825153 +1 0.1958 H( 831 PRO* 28) 81.11438642 +1 -3.22022634 +1 8.03133707 +1 0.1600 H( 832 PRO 28) 82.43591466 +1 -3.11993294 +1 5.24008882 +1 0.1638 H( 833 PRO 28) 82.35173742 +1 -4.47069224 +1 6.34365444 +1 0.1551 H( 834 PRO 28) 80.60275034 +1 -4.46345534 +1 4.30548084 +1 0.1577 H( 835 PRO 28) 80.02063302 +1 -4.91893397 +1 5.89832143 +1 0.1603 H( 836 PRO 28) 79.61136259 +1 -2.21264933 +1 4.47179711 +1 0.1610 H( 837 PRO 28) 78.50430268 +1 -3.13389288 +1 5.49505347 +1 0.1495 H( 838 PRO 29) 83.70331305 +1 0.37101730 +1 8.85264432 +1 0.1620 H( 839 PRO 29) 85.18904750 +1 0.67705579 +1 6.99364634 +1 0.1548 H( 840 PRO 29) 85.95145720 +1 -0.88549705 +1 9.94473425 +1 0.1574 H( 841 PRO 29) 84.40030416 +1 -0.92929240 +1 10.77856838 +1 0.1785 H( 842 PRO* 29) 85.44265190 +1 -3.05398656 +1 8.73108174 +1 0.1465 H( 843 PRO* 29) 83.03620774 +1 -3.71399276 +1 8.64660929 +1 0.1460 H( 844 PRO* 29) 82.61869312 +1 -2.66231725 +1 10.03618153 +1 0.1700 H( 845+PRO* 29) 85.96116587 +1 -3.39501870 +1 10.95579484 +1 0.3245 H( 846 PRO* 31) 2.08368890 +1 -3.00847960 +1 1.29120724 +1 0.2719 H( 847 PRO* 31) 2.02424637 +1 -2.41546690 +1 3.95284644 +1 0.1757 H( 848 PRO 31) 0.63486658 +1 -4.79868378 +1 4.54459308 +1 0.1507 H( 849 PRO 31) -0.05333787 +1 -3.17303735 +1 4.64818319 +1 0.1511 H( 850 PRO 31) -0.35129633 +1 -5.23347529 +1 2.44153656 +1 0.1509 H( 851 PRO 31) -1.52508181 +1 -4.02553858 +1 2.97089362 +1 0.1355 H( 852 PRO 31) 0.03196199 +1 -3.76155118 +1 0.65753161 +1 0.1240 H( 853 PRO 31) -0.62577549 +1 -2.35669312 +1 1.54511967 +1 0.1363 H( 854 PRO* 32) 3.63322808 +1 -3.94662533 +1 5.96519912 +1 0.1847 H( 855 PRO 32) 6.39798098 +1 -3.17979838 +1 4.78937924 +1 0.1488 H( 856 PRO 32) 5.97678020 +1 -3.90987923 +1 6.36850893 +1 0.2516 H( 857 PRO 32) 6.92226187 +1 -5.57490807 +1 4.51402220 +1 0.1399 H( 858 PRO 32) 5.37082878 +1 -5.04849628 +1 2.62687514 +1 0.1489 H( 859 PRO 32) 4.46280057 +1 -6.34096569 +1 3.45694338 +1 0.1758 H( 860 PRO 32) 4.72534838 +1 -5.94313839 +1 6.25549240 +1 0.3341 H( 861 GLY* 33) 5.43487750 +1 -1.64032854 +1 3.68050013 +1 0.3369 H( 862 GLY* 33) 4.71681822 +1 0.72554200 +1 5.21936023 +1 0.1976 H( 863 GLY* 33) 3.66281500 +1 0.49766265 +1 3.78354318 +1 0.1747 H( 864 PRO* 34) 7.26555268 +1 1.86017807 +1 1.49571696 +1 0.1661 H( 865 PRO 34) 8.26748680 +1 4.23612819 +1 3.06591069 +1 0.1822 H( 866 PRO 34) 7.46483246 +1 4.23212241 +1 1.50578831 +1 0.1553 H( 867 PRO 34) 6.20901807 +1 5.15810963 +1 3.75584987 +1 0.1731 H( 868 PRO 34) 5.28748585 +1 4.36575596 +1 2.47557804 +1 0.1510 H( 869 PRO 34) 6.34363156 +1 3.13145820 +1 5.10516562 +1 0.1706 H( 870 PRO 34) 4.70738505 +1 2.96793704 +1 4.37603778 +1 0.1452 H( 871 PRO* 35) 10.77237486 +1 -0.02314307 +1 3.47849889 +1 0.2111 H( 872 PRO 35) 12.47807230 +1 -0.17961549 +1 1.77338784 +1 0.1691 H( 873 PRO 35) 12.45677270 +1 1.54330941 +1 1.41103640 +1 0.1756 H( 874 PRO 35) 11.12632299 +1 0.49135608 +1 -0.44965368 +1 0.1212 H( 875 PRO 35) 10.05614113 +1 2.54903055 +1 0.57519232 +1 0.1625 H( 876 PRO 35) 8.72989689 +1 1.32374001 +1 0.46508857 +1 0.1582 H( 877 PRO 35) 10.69868587 +1 -1.51074449 +1 0.52976937 +1 0.3333 H( 878 GLY* 36) 12.47781133 +1 0.48054840 +1 4.99412734 +1 0.3546 H( 879 GLY* 36) 13.42172094 +1 1.79669293 +1 6.62399085 +1 0.2220 H( 880 GLY* 36) 12.38651276 +1 3.17073393 +1 6.09491127 +1 0.1633 H( 881 PRO* 37) 15.94730379 +1 5.15220755 +1 4.38560506 +1 0.1480 H( 882 PRO 37) 17.25833046 +1 5.30608657 +1 7.17248787 +1 0.1941 H( 883 PRO 37) 16.84469840 +1 6.61194672 +1 6.06975770 +1 0.1406 H( 884 PRO 37) 15.28802610 +1 6.19944201 +1 8.21796180 +1 0.1786 H( 885 PRO 37) 14.46941097 +1 6.50877415 +1 6.68065732 +1 0.1228 H( 886 PRO 37) 15.15237505 +1 3.74995900 +1 7.94336750 +1 0.1715 H( 887 PRO 37) 13.55608041 +1 4.30721169 +1 7.38538018 +1 0.1277 H( 888 PRO* 38) 19.19197046 +1 2.27045176 +1 3.74292373 +1 0.1869 H( 889 PRO 38) 21.12004440 +1 4.69594462 +1 3.75668924 +1 0.1826 H( 890 PRO 38) 20.97881512 +1 3.41372209 +1 2.56020698 +1 0.1721 H( 891 PRO 38) 19.80416674 +1 5.74207935 +1 1.88355476 +1 0.1347 H( 892 PRO 38) 18.93952695 +1 6.16176329 +1 4.24555838 +1 0.1775 H( 893 PRO 38) 17.48481575 +1 5.72690810 +1 3.27636606 +1 0.1462 H( 894 PRO 38) 19.12576613 +1 3.49968103 +1 1.10549756 +1 0.3184 H( 895 GLY* 39) 21.16454833 +1 1.37543107 +1 4.83224530 +1 0.3519 H( 896 GLY* 39) 22.11505595 +1 0.67667232 +1 6.77485151 +1 0.2285 H( 897 GLY* 39) 21.02702812 +1 1.76495202 +1 7.69489307 +1 0.2070 H( 898 PRO* 40) 24.38807606 +1 4.42980809 +1 8.47008767 +1 0.1511 H( 899 PRO 40) 25.79356444 +1 2.65278590 +1 10.39609273 +1 0.1512 H( 900 PRO 40) 24.67903414 +1 3.95994352 +1 10.76132181 +1 0.1453 H( 901 PRO 40) 24.07516090 +1 1.25171518 +1 11.15332229 +1 0.1647 H( 902 PRO 40) 22.86263584 +1 2.51824196 +1 10.99248674 +1 0.1624 H( 903 PRO 40) 23.78046571 +1 0.50923596 +1 8.88168558 +1 0.1569 H( 904 PRO 40) 22.14964559 +1 1.19195911 +1 9.19383458 +1 0.1749 H( 905 PRO* 41) 27.97539679 +1 3.58395411 +1 6.07692587 +1 0.2004 H( 906 PRO 41) 29.77907439 +1 4.77501123 +1 8.26641391 +1 0.1717 H( 907 PRO 41) 29.65856257 +1 5.21189649 +1 6.56226269 +1 0.1650 H( 908 PRO 41) 28.44586026 +1 6.88184896 +1 8.32543233 +1 0.1151 H( 909 PRO 41) 27.37506732 +1 5.06904919 +1 9.67347254 +1 0.1664 H( 910 PRO 41) 26.02691878 +1 5.71922884 +1 8.65934176 +1 0.1527 H( 911 PRO 41) 28.10176873 +1 7.01856710 +1 6.08308755 +1 0.3548 H( 912 GLY* 42) 29.43348640 +1 1.75650117 +1 5.84016217 +1 0.3669 H( 913 GLY* 42) 30.51741379 +1 -0.14997794 +1 6.48972763 +1 0.1938 H( 914 GLY* 42) 29.36761321 +1 -0.22847525 +1 7.85910975 +1 0.1694 H( 915 PRO* 43) 32.97457051 +1 0.73303264 +1 10.36731648 +1 0.1644 H( 916 PRO 43) 34.22329797 +1 -1.70384756 +1 10.77798308 +1 0.1612 H( 917 PRO 43) 32.55963486 +1 -1.47900017 +1 11.31156268 +1 0.1631 H( 918 PRO 43) 33.55452365 +1 -2.74221838 +1 8.68221588 +1 0.1592 H( 919 PRO 43) 32.43634944 +1 -3.43539298 +1 9.83817679 +1 0.1544 H( 920 PRO 43) 31.50947059 +1 -2.03314251 +1 7.62002893 +1 0.1485 H( 921 PRO 43) 30.62161970 +1 -1.95240598 +1 9.17668315 +1 0.1252 H( 922 PRO* 44) 36.80334268 +1 1.22428899 +1 7.84576665 +1 0.1943 H( 923 PRO 44) 38.51401441 +1 1.87534917 +1 9.39181322 +1 0.1729 H( 924 PRO 44) 38.47506468 +1 0.33770771 +1 10.25693391 +1 0.1745 H( 925 PRO 44) 37.35128724 +1 1.75938342 +1 11.90216143 +1 0.1204 H( 926 PRO 44) 35.75303791 +1 -0.01693437 +1 11.49592125 +1 0.1549 H( 927 PRO 44) 34.75404020 +1 1.42858313 +1 11.08329732 +1 0.1704 H( 928 PRO 44) 37.44793697 +1 3.65833733 +1 10.50089735 +1 0.3604 H( 929 ALA* 45) 38.62293400 +1 -0.12300178 +1 6.81406609 +1 0.3710 H( 930 ALA* 45) 38.14376079 +1 -3.00521496 +1 6.72975932 +1 0.1468 H( 931 ALA 45) 40.44236009 +1 -1.24333674 +1 5.53228809 +1 0.1670 H( 932 ALA 45) 40.01776964 +1 -2.90410351 +1 5.03401364 +1 0.1482 H( 933 ALA 45) 38.89850271 +1 -1.55162967 +1 4.72314157 +1 0.1837 H( 934 PRO* 46) 40.83203779 +1 -3.66957729 +1 10.14143326 +1 0.1575 H( 935 PRO 46) 42.56928362 +1 -5.84463696 +1 8.98256613 +1 0.1616 H( 936 PRO 46) 41.33193919 +1 -5.97694093 +1 10.23390919 +1 0.1477 H( 937 PRO 46) 41.00992483 +1 -6.98091120 +1 7.65349701 +1 0.1539 H( 938 PRO 46) 39.66193494 +1 -6.54949498 +1 8.69955111 +1 0.1457 H( 939 PRO 46) 40.83122336 +1 -4.97325621 +1 6.35919902 +1 0.1572 H( 940 PRO 46) 39.13390922 +1 -5.05491153 +1 6.92460327 +1 0.1269 H( 941 PRO* 47) 44.69481563 +1 -1.64537986 +1 10.34206483 +1 0.1755 H( 942 PRO 47) 46.22007150 +1 -2.65822207 +1 11.94499880 +1 0.1676 H( 943 PRO 47) 46.10799938 +1 -4.26193155 +1 11.26701249 +1 0.2037 H( 944 PRO 47) 44.53619012 +1 -4.29289924 +1 13.26841144 +1 0.1543 H( 945 PRO 47) 43.50610053 +1 -5.29679641 +1 11.20390355 +1 0.1717 H( 946 PRO 47) 42.27497209 +1 -4.09778930 +1 11.74665402 +1 0.1458 H( 947 PRO 47) 43.69739888 +1 -1.75684062 +1 12.28113175 +1 0.3308 H( 948 GLY* 48) 45.98889755 +1 -1.02066326 +1 8.69286018 +1 0.3582 H( 949 GLY* 48) 47.15446438 +1 -0.99569246 +1 6.76547435 +1 0.2238 H( 950 GLY* 48) 46.37551747 +1 -2.57220147 +1 6.35531457 +1 0.1784 H( 951 PRO* 49) 50.19172434 +1 -4.69401661 +1 6.69716200 +1 0.1622 H( 952 PRO 49) 51.23454353 +1 -4.54609476 +1 4.11255354 +1 0.1633 H( 953 PRO 49) 49.76807888 +1 -5.44477968 +1 4.49686921 +1 0.1629 H( 954 PRO 49) 49.99704023 +1 -2.56974303 +1 3.42478835 +1 0.1475 H( 955 PRO 49) 48.98996663 +1 -3.87017507 +1 2.79448289 +1 0.1655 H( 956 PRO 49) 47.92635245 +1 -2.00488001 +1 4.51714860 +1 0.1598 H( 957 PRO 49) 47.40399725 +1 -3.72550615 +1 4.61254789 +1 0.1531 H( 958 PRO* 50) 53.11296498 +1 -1.64771461 +1 7.50396794 +1 0.1946 H( 959 PRO 50) 55.60560683 +1 -3.06828952 +1 7.40692296 +1 0.1827 H( 960 PRO 50) 54.59743761 +1 -2.84741619 +1 8.80657264 +1 0.1781 H( 961 PRO 50) 54.98631721 +1 -5.37385430 +1 7.24022966 +1 0.1390 H( 962 PRO 50) 52.83978550 +1 -5.55477857 +1 6.24046676 +1 0.1666 H( 963 PRO 50) 52.09696704 +1 -5.25204187 +1 7.85163928 +1 0.1699 H( 964 PRO 50) 54.05009270 +1 -4.60432387 +1 9.75395417 +1 0.3292 H( 965 GLY* 51) 54.97628130 +1 -0.33980991 +1 6.64736413 +1 0.3562 H( 966 GLY* 51) 55.65443181 +1 0.85691153 +1 4.80670392 +1 0.2130 H( 967 GLY* 51) 54.54720863 +1 -0.10368430 +1 3.76596005 +1 0.1802 H( 968 PRO* 52) 58.13257984 +1 -2.20346500 +1 2.25517980 +1 0.1604 H( 969 PRO 52) 59.28886090 +1 -0.43632292 +1 0.47580827 +1 0.1469 H( 970 PRO 52) 57.59665854 +1 -0.88036566 +1 0.26546213 +1 0.1603 H( 971 PRO 52) 58.70283311 +1 1.51964399 +1 1.90075801 +1 0.1661 H( 972 PRO 52) 57.62891410 +1 1.62034769 +1 0.51961457 +1 0.1626 H( 973 PRO 52) 56.53948343 +1 1.58493425 +1 2.99462045 +1 0.1739 H( 974 PRO 52) 55.75957248 +1 0.56364691 +1 1.74849540 +1 0.1405 H( 975 PRO* 53) 61.72808442 +1 -1.52469752 +1 4.60802320 +1 0.2149 H( 976 PRO 53) 63.70115823 +1 -2.49785999 +1 3.64627216 +1 0.1742 H( 977 PRO 53) 63.59519106 +1 -1.59116693 +1 2.14078908 +1 0.1744 H( 978 PRO 53) 62.67063522 +1 -3.81957797 +1 1.50052744 +1 0.1174 H( 979 PRO 53) 61.15271237 +1 -2.00669716 +1 0.74422502 +1 0.1451 H( 980 PRO 53) 60.04187181 +1 -3.13451537 +1 1.62269194 +1 0.1610 H( 981 PRO 53) 62.57540666 +1 -4.41099774 +1 3.81329874 +1 0.3538 H( 982 GLY* 54) 63.37615777 +1 0.01523958 +1 5.37289767 +1 0.3689 H( 983 GLY* 54) 64.03111259 +1 2.21226877 +1 5.68188282 +1 0.2228 H( 984 GLY* 54) 62.94201210 +1 2.73765987 +1 4.36037041 +1 0.1796 H( 985 PRO* 55) 66.41682476 +1 2.70071741 +1 1.69134046 +1 0.1452 H( 986 PRO 55) 67.77593883 +1 5.11493643 +1 2.05033279 +1 0.1513 H( 987 PRO 55) 66.10938215 +1 5.07282517 +1 1.46713679 +1 0.1672 H( 988 PRO 55) 67.12816059 +1 5.55570379 +1 4.31761795 +1 0.1387 H( 989 PRO 55) 65.89129773 +1 6.44936863 +1 3.44369923 +1 0.1649 H( 990 PRO 55) 65.32409150 +1 4.41678822 +1 5.31709606 +1 0.1692 H( 991 PRO 55) 64.18918131 +1 4.84694650 +1 3.99003802 +1 0.1649 H( 992 PRO* 56) 69.99453398 +1 0.92944817 +1 3.37926637 +1 0.1998 H( 993 PRO 56) 72.00469101 +1 2.76994282 +1 1.96612623 +1 0.1742 H( 994 PRO 56) 71.84329088 +1 1.01432482 +1 1.89542106 +1 0.1750 H( 995 PRO 56) 70.95507028 +1 2.49895555 +1 -0.21218775 +1 0.1129 H( 996 PRO 56) 69.53657060 +1 4.07620116 +1 1.01924609 +1 0.1546 H( 997 PRO 56) 68.33843024 +1 2.84553380 +1 0.48081159 +1 0.1567 H( 998 PRO 56) 70.46804336 +1 0.32079247 +1 -0.28950627 +1 0.3510 H( 999 GLY* 57) 71.85680900 +1 1.02010813 +1 4.86165885 +1 0.3704 H( 1000 GLY* 57) 72.65791502 +1 1.75337101 +1 6.86019760 +1 0.2103 H( 1001 GLY* 57) 71.55471740 +1 3.17607858 +1 6.79938388 +1 0.1930 H( 1002 PRO* 58) 74.95431933 +1 5.69830129 +1 5.77660004 +1 0.1704 H( 1003 PRO 58) 75.99232066 +1 5.47182229 +1 8.66048863 +1 0.1675 H( 1004 PRO 58) 75.45320077 +1 6.88127227 +1 7.78735505 +1 0.1533 H( 1005 PRO 58) 73.77134517 +1 5.84028787 +1 9.60646679 +1 0.1584 H( 1006 PRO 58) 73.09032817 +1 6.35974423 +1 8.06140201 +1 0.1762 H( 1007 PRO 58) 73.95793117 +1 3.47705348 +1 8.83937917 +1 0.1527 H( 1008 PRO 58) 72.38254809 +1 4.01523104 +1 8.19793529 +1 0.1818 H( 1009 PRO* 59) 78.70016440 +1 3.86505481 +1 4.55994851 +1 0.2018 H( 1010 PRO 59) 80.15855147 +1 5.66532157 +1 3.92085001 +1 0.1768 H( 1011 PRO 59) 79.99911449 +1 6.53762229 +1 5.45976622 +1 0.1670 H( 1012 PRO 59) 78.44119618 +1 7.75063828 +1 3.95101471 +1 0.1421 H( 1013 PRO 59) 77.41279132 +1 7.19764906 +1 6.15174290 +1 0.1584 H( 1014 PRO 59) 76.18113897 +1 6.62687610 +1 4.96291759 +1 0.1765 H( 1015 PRO 59) 77.56920137 +1 6.79637398 +1 2.29452267 +1 0.3252 H( 1016 GLY* 60) 80.54746675 +1 2.72988632 +1 5.03713385 +1 0.3564 H( 1017 GLY* 60) 81.71657388 +1 2.91364926 +1 7.80676615 +1 0.1880 H( 1018 GLY* 60) 81.38057388 +1 1.40566118 +1 6.92897559 +1 0.2055 H( 1019 GLY* 60) 83.48865111 +1 3.54703211 +1 5.96037625 +1 0.1222 H( 1020 PRO* 61) 2.80122448 +1 -3.20340941 +1 6.80628134 +1 0.2539 H( 1021 PRO* 61) 4.39242661 +1 -2.07118745 +1 7.70319245 +1 0.1522 H( 1022 PRO 61) 3.46381227 +1 -0.14828866 +1 8.58009612 +1 0.1419 H( 1023 PRO 61) 2.86918133 +1 -0.96737374 +1 10.02510546 +1 0.1364 H( 1024 PRO 61) 1.51556361 +1 -0.63012403 +1 7.33906825 +1 0.1657 H( 1025 PRO 61) 0.77600003 +1 -0.72088724 +1 8.93526231 +1 0.1227 H( 1026 PRO 61) 0.95346567 +1 -3.13785579 +1 9.02250093 +1 0.1366 H( 1027 PRO 61) 0.62631783 +1 -2.87599818 +1 7.29144147 +1 0.1295 H( 1028 PRO* 62) 5.61446729 +1 -0.44840691 +1 9.40619266 +1 0.1724 H( 1029 PRO 62) 8.36708465 +1 -1.01522536 +1 9.66431116 +1 0.1659 H( 1030 PRO 62) 7.34957121 +1 -0.47154810 +1 11.01496651 +1 0.1692 H( 1031 PRO 62) 8.18750767 +1 -3.35781302 +1 10.31255621 +1 0.1401 H( 1032 PRO 62) 6.01996410 +1 -4.17513059 +1 11.20761118 +1 0.1681 H( 1033 PRO 62) 5.77624554 +1 -2.67830529 +1 12.14898635 +1 0.1512 H( 1034 PRO 62) 8.59708270 +1 -3.37521495 +1 12.49833156 +1 0.3457 H( 1035 GLY* 63) 7.06608530 +1 0.14258818 +1 7.42705854 +1 0.3530 H( 1036 GLY* 63) 7.68688509 +1 -0.21868378 +1 5.24426783 +1 0.2006 H( 1037 GLY* 63) 6.65073771 +1 -1.68903294 +1 5.23069104 +1 0.1749 H( 1038 PRO* 64) 10.20344979 +1 -4.15188244 +1 5.70502791 +1 0.1599 H( 1039 PRO 64) 11.50989708 +1 -4.39554878 +1 3.27960342 +1 0.1581 H( 1040 PRO 64) 9.83161655 +1 -4.90718514 +1 3.41242077 +1 0.1627 H( 1041 PRO 64) 10.88749842 +1 -2.13221821 +1 2.55008169 +1 0.1616 H( 1042 PRO 64) 9.82663340 +1 -3.19915904 +1 1.60548577 +1 0.1562 H( 1043 PRO 64) 8.73781677 +1 -1.21159780 +1 3.14374914 +1 0.1611 H( 1044 PRO 64) 7.92238017 +1 -2.80243098 +1 3.09242906 +1 0.1376 H( 1045 PRO* 65) 13.67141633 +1 -1.72228656 +1 6.99663776 +1 0.1979 H( 1046 PRO 65) 15.53552627 +1 -3.95618346 +1 5.95507059 +1 0.1812 H( 1047 PRO 65) 15.47858912 +1 -3.21298740 +1 7.55406862 +1 0.1839 H( 1048 PRO 65) 14.32254148 +1 -5.64005686 +1 7.33456294 +1 0.1236 H( 1049 PRO 65) 13.12915313 +1 -5.18003633 +1 5.18324415 +1 0.1437 H( 1050 PRO 65) 11.84423848 +1 -5.05808733 +1 6.44057377 +1 0.1550 H( 1051 PRO 65) 13.93372078 +1 -4.22654975 +1 9.07551999 +1 0.3669 H( 1052 GLY* 66) 15.24079335 +1 -0.28699765 +1 6.07313167 +1 0.3635 H( 1053 GLY* 66) 16.23267046 +1 0.95119417 +1 4.43784287 +1 0.2255 H( 1054 GLY* 66) 15.18739030 +1 0.15225096 +1 3.22788067 +1 0.1677 H( 1055 PRO* 67) 18.69939309 +1 -2.25757822 +1 1.95824138 +1 0.1615 H( 1056 PRO 67) 19.98491660 +1 -0.60735219 +1 0.09758400 +1 0.1879 H( 1057 PRO 67) 18.31635433 +1 -1.11187385 +1 -0.15137716 +1 0.1560 H( 1058 PRO 67) 19.36579695 +1 1.46693751 +1 1.16125190 +1 0.1528 H( 1059 PRO 67) 18.21262911 +1 1.34701931 +1 -0.16684171 +1 0.1548 H( 1060 PRO 67) 17.35072779 +1 1.64644696 +1 2.44851625 +1 0.1661 H( 1061 PRO 67) 16.40271759 +1 0.66399442 +1 1.29940580 +1 0.1398 H( 1062 PRO* 68) 22.35447835 +1 -1.65043175 +1 4.21870234 +1 0.2028 H( 1063 PRO 68) 24.23217930 +1 -1.90202951 +1 1.81975718 +1 0.1775 H( 1064 PRO 68) 24.12625895 +1 -2.89644549 +1 3.26164347 +1 0.1716 H( 1065 PRO 68) 23.16899764 +1 -3.86454110 +1 0.86661532 +1 0.1272 H( 1066 PRO 68) 21.58468259 +1 -2.05854286 +1 0.34051016 +1 0.1631 H( 1067 PRO 68) 20.51939446 +1 -3.20813677 +1 1.23367268 +1 0.1651 H( 1068 PRO 68) 22.85229768 +1 -4.82553656 +1 3.09010239 +1 0.3242 H( 1069 GLY* 69) 23.73616710 +1 -0.08020270 +1 4.97196803 +1 0.3715 H( 1070 GLY* 69) 24.46138379 +1 2.05667842 +1 5.22100344 +1 0.2325 H( 1071 GLY* 69) 23.42721786 +1 2.57482135 +1 3.84729176 +1 0.1885 H( 1072 PRO* 70) 27.05601881 +1 2.65837022 +1 1.43387505 +1 0.1515 H( 1073 PRO 70) 28.34358650 +1 5.06871942 +1 2.12637195 +1 0.1603 H( 1074 PRO 70) 26.80665012 +1 4.97872078 +1 1.26374089 +1 0.1597 H( 1075 PRO 70) 27.31415201 +1 5.54211135 +1 4.21470138 +1 0.1623 H( 1076 PRO 70) 26.08167381 +1 6.23318955 +1 3.16212902 +1 0.1665 H( 1077 PRO 70) 25.65140582 +1 4.11063102 +1 5.00795543 +1 0.1712 H( 1078 PRO 70) 24.56514732 +1 4.48267769 +1 3.62997466 +1 0.1482 H( 1079 PRO* 71) 30.70850230 +1 0.72120729 +1 2.80482478 +1 0.1949 H( 1080 PRO 71) 32.37584126 +1 1.04887086 +1 1.10928381 +1 0.1593 H( 1081 PRO 71) 32.25915968 +1 2.82182284 +1 1.15653872 +1 0.1731 H( 1082 PRO 71) 30.96260131 +1 2.27764656 +1 -0.87362925 +1 0.1209 H( 1083 PRO 71) 29.60976687 +1 3.76030531 +1 0.51493318 +1 0.1866 H( 1084 PRO 71) 28.47895157 +1 2.37297404 +1 0.27929430 +1 0.1684 H( 1085 PRO 71) 30.94016435 +1 0.03070196 +1 -0.55650169 +1 0.3654 H( 1086 GLY* 72) 32.29304351 +1 0.85902164 +1 4.44434073 +1 0.3716 H( 1087 GLY* 72) 33.35179848 +1 1.71613135 +1 6.23949567 +1 0.2240 H( 1088 GLY* 72) 32.08040774 +1 2.97125982 +1 6.27813611 +1 0.1927 H( 1089 PRO* 73) 35.06163151 +1 5.93086860 +1 5.18626951 +1 0.1571 H( 1090 PRO 73) 36.25560102 +1 6.70886217 +1 7.56913685 +1 0.1503 H( 1091 PRO 73) 34.53299668 +1 6.97811676 +1 7.26100530 +1 0.1663 H( 1092 PRO 73) 35.84542325 +1 4.60328548 +1 8.74040477 +1 0.1650 H( 1093 PRO 73) 34.54743500 +1 5.63998244 +1 9.33250972 +1 0.1597 H( 1094 PRO 73) 33.97887125 +1 3.23429488 +1 8.13476371 +1 0.1628 H( 1095 PRO 73) 32.90332785 +1 4.63368966 +1 7.85409193 +1 0.1494 H( 1096 PRO* 74) 39.18477010 +1 4.36569375 +1 4.32204869 +1 0.1552 H( 1097 PRO 74) 40.52610213 +1 6.34567411 +1 3.85596704 +1 0.1753 H( 1098 PRO 74) 40.13315163 +1 7.09486809 +1 5.39435336 +1 0.1728 H( 1099 PRO 74) 38.66984664 +1 8.36566265 +1 3.89736635 +1 0.1301 H( 1100 PRO 74) 37.13855767 +1 7.55439519 +1 5.58940361 +1 0.1460 H( 1101 PRO 74) 36.42569164 +1 6.76403626 +1 4.13280674 +1 0.1646 H( 1102 PRO 74) 39.14970669 +1 6.56421325 +1 2.14003030 +1 0.3596 H( 1103 ALA* 75) 41.00268673 +1 3.59486339 +1 5.53762677 +1 0.3689 H( 1104 ALA* 75) 40.78560744 +1 3.71179684 +1 8.52425981 +1 0.1581 H( 1105 ALA 75) 42.15179177 +1 1.52690184 +1 8.12482812 +1 0.1606 H( 1106 ALA 75) 40.53688955 +1 1.47274837 +1 7.41793012 +1 0.1872 H( 1107 ALA 75) 41.92491460 +1 1.74598250 +1 6.37088866 +1 0.1818 H( 1108 PRO* 76) 44.76168212 +1 5.74571656 +1 8.44701934 +1 0.1690 H( 1109 PRO 76) 45.89943075 +1 4.04084821 +1 10.64587967 +1 0.1641 H( 1110 PRO 76) 45.32646947 +1 5.69124676 +1 10.75280922 +1 0.1577 H( 1111 PRO 76) 43.95062733 +1 3.60904659 +1 11.91183309 +1 0.1694 H( 1112 PRO 76) 43.11711884 +1 5.04333593 +1 11.31565113 +1 0.1565 H( 1113 PRO 76) 43.48089340 +1 2.32764237 +1 9.89220115 +1 0.1623 H( 1114 PRO 76) 41.99302957 +1 3.31532274 +1 10.05582873 +1 0.1443 H( 1115 PRO* 77) 47.72081416 +1 3.28603537 +1 6.23166100 +1 0.1818 H( 1116 PRO 77) 50.02865544 +1 4.56001461 +1 7.83934451 +1 0.1715 H( 1117 PRO 77) 49.85501919 +1 4.37598502 +1 6.09766670 +1 0.1837 H( 1118 PRO 77) 49.35339199 +1 6.85179692 +1 7.30159587 +1 0.1271 H( 1119 PRO 77) 47.58103110 +1 6.32927747 +1 8.81917716 +1 0.1545 H( 1120 PRO 77) 46.58228946 +1 6.55092914 +1 7.32324885 +1 0.1529 H( 1121 PRO 77) 49.38744286 +1 6.24506459 +1 5.07970025 +1 0.3513 H( 1122 GLY* 78) 49.00559342 +1 1.39232407 +1 6.49366536 +1 0.3607 H( 1123 GLY* 78) 50.06098184 +1 -0.32843695 +1 7.45010982 +1 0.2150 H( 1124 GLY* 78) 49.05577056 +1 -0.06525727 +1 8.92615823 +1 0.1743 H( 1125 PRO* 79) 52.62189015 +1 1.39236147 +1 10.97623025 +1 0.1762 H( 1126 PRO 79) 53.92545473 +1 -0.86658951 +1 11.86126163 +1 0.1726 H( 1127 PRO 79) 52.23447789 +1 -0.59623923 +1 12.26464507 +1 0.1628 H( 1128 PRO 79) 53.40708440 +1 -2.30957409 +1 10.00910264 +1 0.1407 H( 1129 PRO 79) 52.13019989 +1 -2.74689315 +1 11.14310751 +1 0.1599 H( 1130 PRO 79) 51.61946812 +1 -1.76628562 +1 8.52192435 +1 0.1641 H( 1131 PRO 79) 50.44422051 +1 -1.65786548 +1 9.85779256 +1 0.1620 H( 1132 PRO* 80) 56.12344474 +1 2.08601189 +1 8.46340129 +1 0.2065 H( 1133 PRO 80) 58.04988369 +1 2.71644181 +1 9.79578861 +1 0.2001 H( 1134 PRO 80) 57.97830061 +1 1.28873424 +1 10.80789558 +1 0.1744 H( 1135 PRO 80) 56.95631808 +1 3.05666291 +1 12.27587808 +1 0.1548 H( 1136 PRO 80) 55.42673211 +1 1.09264110 +1 12.24675940 +1 0.1777 H( 1137 PRO 80) 54.34250728 +1 2.42225272 +1 11.71277698 +1 0.1538 H( 1138 PRO 80) 55.98076513 +1 3.97383918 +1 9.77648678 +1 0.3297 H( 1139 GLY* 81) 57.76224648 +1 1.07626945 +1 7.19572121 +1 0.3659 H( 1140 GLY* 81) 58.50082806 +1 -0.77192043 +1 6.03154835 +1 0.2250 H( 1141 GLY* 81) 57.62497726 +1 -1.85385210 +1 7.17240104 +1 0.1842 H( 1142 PRO* 82) 61.41672442 +1 -2.80062329 +1 9.14736147 +1 0.1497 H( 1143 PRO 82) 62.53946509 +1 -4.15861611 +1 6.64444923 +1 0.1761 H( 1144 PRO 82) 62.24915061 +1 -4.84812660 +1 8.23160659 +1 0.1398 H( 1145 PRO 82) 60.55741139 +1 -5.39992054 +1 6.19892304 +1 0.1610 H( 1146 PRO 82) 59.91261459 +1 -5.18227448 +1 7.81036735 +1 0.1558 H( 1147 PRO 82) 59.95385969 +1 -3.17231688 +1 5.49176734 +1 0.1741 H( 1148 PRO 82) 58.63475539 +1 -3.53676702 +1 6.65143424 +1 0.1501 H( 1149 PRO* 83) 64.57131266 +1 0.15315584 +1 8.18964030 +1 0.2105 H( 1150 PRO 83) 66.64818507 +1 -1.91918547 +1 9.08538278 +1 0.1707 H( 1151 PRO 83) 66.40487199 +1 -0.27516409 +1 9.67770052 +1 0.1923 H( 1152 PRO 83) 65.56976063 +1 -2.41810881 +1 11.20974646 +1 0.1116 H( 1153 PRO 83) 64.08080306 +1 -3.54538775 +1 9.70016435 +1 0.1515 H( 1154 PRO 83) 62.91196268 +1 -2.38687072 +1 10.43742721 +1 0.1586 H( 1155 PRO 83) 65.28220566 +1 -0.23835315 +1 11.79201990 +1 0.3900 H( 1156 GLY* 84) 66.25924420 +1 0.40005263 +1 6.46748178 +1 0.3604 H( 1157 GLY* 84) 66.84102074 +1 -0.04100741 +1 4.29398761 +1 0.2188 H( 1158 GLY* 84) 65.97811646 +1 -1.62156324 +1 4.35552648 +1 0.1727 H( 1159 PRO* 85) 69.82224055 +1 -3.64411720 +1 4.67617563 +1 0.1523 H( 1160 PRO 85) 71.45837962 +1 -3.21877259 +1 2.44553559 +1 0.1531 H( 1161 PRO 85) 69.91668969 +1 -4.06177421 +1 2.31094726 +1 0.1600 H( 1162 PRO 85) 70.49301039 +1 -1.06563233 +1 1.88309312 +1 0.1588 H( 1163 PRO 85) 69.66923998 +1 -2.14733605 +1 0.78170189 +1 0.1550 H( 1164 PRO 85) 68.24952352 +1 -0.51254285 +1 2.47165565 +1 0.1507 H( 1165 PRO 85) 67.62458353 +1 -2.15770179 +1 2.12361165 +1 0.1543 H( 1166 PRO* 86) 73.01651521 +1 -1.45146223 +1 6.68932983 +1 0.2002 H( 1167 PRO 86) 75.12929052 +1 -3.26766555 +1 5.38619136 +1 0.1706 H( 1168 PRO 86) 74.83557082 +1 -2.96254844 +1 7.09639256 +1 0.1922 H( 1169 PRO 86) 73.91656655 +1 -5.35520122 +1 6.12644750 +1 0.1504 H( 1170 PRO 86) 72.85702555 +1 -4.38197188 +1 4.05048131 +1 0.1526 H( 1171 PRO 86) 71.47250832 +1 -4.64200628 +1 5.15822567 +1 0.1557 H( 1172 PRO 86) 72.36756019 +1 -3.54305167 +1 7.66163023 +1 0.3329 H( 1173 GLY* 87) 74.63396768 +1 0.18484652 +1 6.33817570 +1 0.3540 H( 1174 GLY* 87) 75.30281380 +1 2.00302854 +1 5.15130638 +1 0.2072 H( 1175 GLY* 87) 74.23510158 +1 1.49581037 +1 3.76280020 +1 0.1921 H( 1176 PRO* 88) 77.80304433 +1 0.24512980 +1 1.79666086 +1 0.1814 H( 1177 PRO 88) 79.13791314 +1 2.87468290 +1 1.41621799 +1 0.1595 H( 1178 PRO 88) 78.16665836 +1 1.96996894 +1 0.27329529 +1 0.1454 H( 1179 PRO 88) 77.32285158 +1 4.34684027 +1 1.46167248 +1 0.1571 H( 1180 PRO 88) 76.20676588 +1 3.14820649 +1 0.81888775 +1 0.1479 H( 1181 PRO 88) 77.06074230 +1 3.56215079 +1 3.74589738 +1 0.1676 H( 1182 PRO 88) 75.43350672 +1 3.17835176 +1 3.07680580 +1 0.1568 H( 1183 PRO 89) 81.23222793 +1 -0.06424679 +1 4.82176094 +1 0.2136 H( 1184 PRO 89) 83.24523893 +1 1.06827395 +1 3.88945562 +1 0.1560 H( 1185 PRO 89) 82.73471063 +1 -1.78893385 +1 3.21181099 +1 0.1563 H( 1186 PRO 89) 81.28723287 +1 -2.34597913 +1 3.99913351 +1 0.1926 H( 1187 PRO* 89) 81.58376231 +1 -1.43173520 +1 1.07337598 +1 0.1457 H( 1188 PRO* 89) 79.37762173 +1 -0.50699506 +1 1.11289312 +1 0.1500 H( 1189 PRO* 89) 78.84832158 +1 -1.52244037 +1 2.50932446 +1 0.1872 H( 1190 PRO* 89) 81.29991328 +1 -3.66500111 +1 1.45049658 +1 0.3190 H( 1191 O ) 14.77006014 +1 -4.22075911 +1 2.69996680 +1 0.3951 H( 1192 C ) 13.81764305 +1 -7.71121160 +1 4.52110397 +1 0.1818 H( 1193 C ) 13.80730831 +1 -7.88591145 +1 2.74880626 +1 0.1908 H( 1194 C ) 12.62000321 +1 -6.82373401 +1 3.51077922 +1 0.1930 H( 1195 O ) 25.72466589 +1 1.96947604 +1 13.49112511 +1 0.4010 H( 1196 C ) 25.22105235 +1 5.93820590 +1 14.43812320 +1 0.1777 H( 1197 C ) 24.47825084 +1 5.21663446 +1 12.98354724 +1 0.1790 H( 1198 C ) 23.74923733 +1 4.94500473 +1 14.58344060 +1 0.1828 H( 1199 O ) 20.02969226 +1 5.72467224 +1 6.98468650 +1 0.4089 H( 1200 C ) 18.59658532 +1 9.49076205 +1 7.18219319 +1 0.1745 H( 1201 C ) 18.11537563 +1 8.38268718 +1 5.87648315 +1 0.1756 H( 1202 C ) 17.27426363 +1 8.35280651 +1 7.46276484 +1 0.1879 H( 1203 O ) 34.58166520 +1 3.03339677 +1 0.97984806 +1 0.3701 H( 1204 C ) 36.21062981 +1 1.15622095 +1 -0.53244498 +1 0.1804 H( 1205 C ) 34.80834646 +1 0.51051938 +1 -1.39483755 +1 0.1963 H( 1206 C ) 34.69942130 +1 0.84947637 +1 0.33730357 +1 0.1791 H( 1207 O ) 32.29198942 +1 4.32478753 +1 -0.72511433 +1 0.3569 H( 1208 C ) 33.77633058 +1 7.38744074 +1 0.42500124 +1 0.2000 H( 1209 C ) 33.08771726 +1 7.72015148 +1 -1.17509896 +1 0.1735 H( 1210 C ) 32.22735173 +1 8.27383930 +1 0.29161121 +1 0.1715 H( 1211 O ) 16.45105615 +1 2.73511020 +1 15.09757327 +1 0.3619 H( 1212 C ) 13.75368102 +1 1.99491984 +1 12.74337636 +1 0.2066 H( 1213 C ) 12.98967922 +1 2.54351970 +1 14.22826589 +1 0.1950 H( 1214 C ) 13.17106819 +1 3.67949134 +1 12.86160851 +1 0.2147 H( 1215 HOH 201) 11.93703254 +1 -5.26643906 +1 0.19977194 +1 0.3584 H( 1216 HOH 201) 10.74966477 +1 -6.12860098 +1 -0.19658380 +1 0.3270 H( 1217 HOH 202) 15.76578877 +1 -1.86461216 +1 1.07250258 +1 0.3426 H( 1218 HOH 202) 14.54041314 +1 -2.04235170 +1 1.94930446 +1 0.3712 H( 1219 HOH 203) 9.06966365 +1 0.46948739 +1 12.17031698 +1 0.3476 H( 1220 HOH 203) 9.05928090 +1 -0.98615811 +1 12.64506663 +1 0.3747 H( 1221 HOH 204) 13.40970292 +1 -3.26802648 +1 -0.38296186 +1 0.3587 H( 1222 HOH 204) 12.73469198 +1 -3.59901806 +1 0.91636854 +1 0.3476 H( 1223 HOH 205) 15.90910414 +1 -3.77450016 +1 10.34431892 +1 0.3351 H( 1224 HOH 205) 16.49098522 +1 -4.57447385 +1 9.21752407 +1 0.3753 H( 1225 HOH 206) 79.57571269 +1 0.57116246 +1 9.61402327 +1 0.3506 H( 1226 HOH 206) 80.85569880 +1 -0.02352478 +1 10.09984647 +1 0.3296 H( 1227 HOH 207) 12.41532678 +1 2.67066762 +1 10.04153928 +1 0.3679 H( 1228 HOH 207) 11.94840008 +1 2.23420126 +1 11.42544940 +1 0.3422 H( 1229 HOH 208) 42.85220603 +1 -2.67606766 +1 6.42188771 +1 0.3911 H( 1230 HOH 208) 42.25198310 +1 -3.57711790 +1 5.31934385 +1 0.3542 H( 1231 HOH 209) 62.73731818 +1 0.36418228 +1 14.49046437 +1 0.3385 H( 1232 HOH 209) 61.59342152 +1 -0.47268473 +1 14.96760328 +1 0.3324 H( 1233 HOH 210) 17.10511022 +1 -5.20301609 +1 3.94374226 +1 0.3602 H( 1234 HOH 210) 17.80723030 +1 -3.84901053 +1 3.93224269 +1 0.3505 H( 1235 HOH 211) 23.01885207 +1 3.13804585 +1 0.10803201 +1 0.3543 H( 1236 HOH 211) 23.10547913 +1 2.63395371 +1 1.53648438 +1 0.3765 H( 1237 HOH 212) 42.10878346 +1 4.06074022 +1 2.28555346 +1 0.3739 H( 1238 HOH 212) 42.12960565 +1 2.79344670 +1 1.41538169 +1 0.3741 H( 1239 HOH 213) 25.88048858 +1 -4.04921583 +1 5.12760597 +1 0.3698 H( 1240 HOH 213) 26.73421179 +1 -5.28574294 +1 5.07890344 +1 0.3281 H( 1241 HOH 214) 56.42417299 +1 -0.88180455 +1 11.38666863 +1 0.3646 H( 1242 HOH 214) 57.15326026 +1 -1.76928297 +1 12.37962233 +1 0.3344 H( 1243 HOH 215) 32.73088253 +1 -5.90443685 +1 7.72146644 +1 0.3671 H( 1244 HOH 215) 32.10506151 +1 -7.29517456 +1 7.80540364 +1 0.3368 H( 1245 HOH 216) 32.17553844 +1 6.51910620 +1 3.90111887 +1 0.3478 H( 1246 HOH 216) 31.60990936 +1 5.40921568 +1 4.73771765 +1 0.3737 H( 1247 HOH 217) 54.23334947 +1 -4.43723148 +1 3.52508818 +1 0.3421 H( 1248 HOH 217) 55.48525784 +1 -5.28024194 +1 3.47737904 +1 0.3604 H( 1249 HOH 218) 28.70702505 +1 -4.40346307 +1 9.11402056 +1 0.3774 H( 1250 HOH 218) 28.77878346 +1 -5.18031126 +1 10.42635462 +1 0.3519 H( 1251 HOH 219) 42.08012650 +1 -4.99255119 +1 3.33654854 +1 0.3524 H( 1252 HOH 219) 40.99580163 +1 -5.98845829 +1 3.73297700 +1 0.3367 H( 1253 HOH 220) 35.10337364 +1 5.39013332 +1 2.24600413 +1 0.3273 H( 1254 HOH 220) 33.73228347 +1 4.75799479 +1 2.43494463 +1 0.3556 H( 1255 HOH 221) 51.92755859 +1 6.05300869 +1 4.43314022 +1 0.3415 H( 1256 HOH 221) 51.17286057 +1 4.75347646 +1 4.71132438 +1 0.3721 H( 1257 HOH 222) 57.11363297 +1 -4.07549190 +1 4.22836171 +1 0.3713 H( 1258 HOH 222) 57.15719799 +1 -5.25609129 +1 5.20220966 +1 0.3481 H( 1259 HOH 223) 32.71252827 +1 -1.10532278 +1 -0.39945824 +1 0.3537 H( 1260 HOH 223) 32.15216028 +1 -1.45426713 +1 -1.79061970 +1 0.3485 H( 1261 HOH 224) 28.89884731 +1 0.88559331 +1 -1.27243875 +1 0.3538 H( 1262 HOH 224) 27.38149131 +1 0.94075272 +1 -1.22862968 +1 0.3416 H( 1263 HOH 225) 29.62013493 +1 3.47869876 +1 12.09231313 +1 0.3364 H( 1264 HOH 225) 28.76825340 +1 3.10633296 +1 10.88745268 +1 0.3613 H( 1265 HOH 226) 26.91552418 +1 1.25795940 +1 12.16940454 +1 0.3691 H( 1266 HOH 226) 26.99369948 +1 0.33881104 +1 13.39392153 +1 0.3533 H( 1267 HOH 227) 51.03938664 +1 4.71749477 +1 10.56667770 +1 0.3413 H( 1268 HOH 227) 51.43641901 +1 3.25989653 +1 10.39327402 +1 0.3790 H( 1269 HOH 228) 60.25388884 +1 1.38580911 +1 -1.10568868 +1 0.3433 H( 1270 HOH 228) 60.21261850 +1 2.01449459 +1 -2.50072468 +1 0.3397 H( 1271 HOH 229) 70.11694267 +1 6.62931736 +1 2.90714553 +1 0.3226 H( 1272 HOH 229) 69.19192589 +1 7.66651437 +1 3.49128758 +1 0.3481 H( 1273 HOH 230) 54.57562892 +1 4.83644345 +1 11.44825986 +1 0.3441 H( 1274 HOH 230) 53.03721431 +1 4.75427640 +1 11.47543253 +1 0.3557 H( 1275 HOH 231) 20.54112644 +1 4.00870443 +1 11.51032047 +1 0.3306 H( 1276 HOH 231) 20.93777469 +1 2.64764703 +1 12.08799335 +1 0.3431 H( 1277 HOH 232) 23.86536393 +1 5.46655507 +1 6.12548192 +1 0.3425 H( 1278 HOH 232) 22.36401941 +1 5.48418003 +1 6.04948176 +1 0.3411 H( 1279 HOH 233) 63.26123985 +1 -0.86468330 +1 12.47572736 +1 0.3618 H( 1280 HOH 233) 61.75149631 +1 -0.77419946 +1 12.33801325 +1 0.3430 H( 1281 HOH 234) 30.44842773 +1 -4.78399595 +1 7.45479486 +1 0.3590 H( 1282 HOH 234) 29.52372012 +1 -3.61968970 +1 6.94810142 +1 0.3750 H( 1283 HOH 235) 46.09394359 +1 2.31430548 +1 13.26678512 +1 0.3359 H( 1284 HOH 235) 45.43287552 +1 1.37731703 +1 14.27194003 +1 0.3317 H( 1285 HOH 236) 36.31625873 +1 -3.40171120 +1 8.46874290 +1 0.3949 H( 1286 HOH 236) 36.78508480 +1 -4.86017734 +1 8.40855196 +1 0.3413 H( 1287 HOH 237) 72.41981808 +1 3.68792376 +1 11.30574115 +1 0.3381 H( 1288 HOH 237) 71.33038949 +1 2.94055676 +1 10.50326139 +1 0.3854 H( 1289 HOH 238) 45.53442848 +1 -5.64143757 +1 9.97912738 +1 0.3605 H( 1290 HOH 238) 46.77635030 +1 -6.33188650 +1 10.47473402 +1 0.3497 H( 1291 HOH 239) 4.69175884 +1 -0.88208595 +1 0.83782216 +1 0.3358 H( 1292 HOH 239) 5.82510949 +1 -1.24212298 +1 -0.07933155 +1 0.3265 H( 1293 HOH 240) 49.95655247 +1 -5.37914173 +1 9.83970610 +1 0.3372 H( 1294 HOH 240) 49.03682013 +1 -4.47983187 +1 8.99872500 +1 0.3673 H( 1295 HOH 241) 67.11980412 +1 0.90450709 +1 12.42853187 +1 0.3818 H( 1296 HOH 241) 66.83877531 +1 0.31575385 +1 13.80913479 +1 0.3414 H( 1297 HOH 242) 12.29992547 +1 7.13441193 +1 6.37755622 +1 0.3344 H( 1298 HOH 242) 11.80310817 +1 5.74567718 +1 5.97882039 +1 0.3350 H( 1299 HOH 243) 65.51186362 +1 0.10230979 +1 1.45973302 +1 0.3663 H( 1300 HOH 243) 66.63308660 +1 -0.19522644 +1 0.47896507 +1 0.3217 H( 1301 HOH 244) 69.93323182 +1 -5.50074205 +1 7.52792160 +1 0.3246 H( 1302 HOH 244) 71.39637358 +1 -5.79121682 +1 7.79836332 +1 0.3427 H( 1303 HOH 245) 49.52138024 +1 4.36616860 +1 12.21528732 +1 0.3428 H( 1304 HOH 245) 48.41923077 +1 4.21321179 +1 11.19691083 +1 0.3443 H( 1305 HOH 246) 11.00035791 +1 6.38357948 +1 4.00498621 +1 0.3478 H( 1306 HOH 246) 10.67953809 +1 5.08946641 +1 3.25268843 +1 0.3621 H( 1307 HOH 247) 75.69698622 +1 5.65620544 +1 3.11336195 +1 0.3482 H( 1308 HOH 247) 74.46156708 +1 4.95381598 +1 3.72070936 +1 0.3682 H( 1309 HOH 248) 76.37621460 +1 -1.55544884 +1 10.81269291 +1 0.3503 H( 1310 HOH 248) 77.59166334 +1 -1.90981714 +1 11.62549075 +1 0.3312 H( 1311 HOH 249) 23.28213894 +1 5.15236588 +1 1.27662579 +1 0.3598 H( 1312 HOH 249) 23.22797821 +1 6.12541259 +1 2.43917607 +1 0.3313 H( 1313 HOH 250) 43.91778622 +1 6.65673616 +1 4.06110631 +1 0.3366 H( 1314 HOH 250) 43.11034302 +1 5.45443421 +1 4.52033161 +1 0.3666 H( 1315 HOH 251) 35.16122242 +1 3.66655403 +1 11.48541363 +1 0.3513 H( 1316 HOH 251) 34.96424750 +1 4.41732121 +1 12.79012026 +1 0.3213 H( 1317 HOH 252) 41.78087228 +1 2.56395732 +1 3.85092540 +1 0.3644 H( 1318 HOH 252) 40.32226465 +1 2.86594496 +1 3.63262843 +1 0.3551 H( 1319 HOH 253) 17.73099955 +1 -2.73573990 +1 8.88453209 +1 0.3860 H( 1320 HOH 253) 18.61442273 +1 -3.72478888 +1 8.12208839 +1 0.3476 H( 1321 HOH 254) 62.23790047 +1 5.43106252 +1 6.31571388 +1 0.3599 H( 1322 HOH 254) 60.80704049 +1 5.85936497 +1 6.44763135 +1 0.3340 H( 1323 HOH 255) 18.41866438 +1 6.05531747 +1 9.76104664 +1 0.3497 H( 1324 HOH 255) 17.25200866 +1 5.10174255 +1 10.07203182 +1 0.3567 H( 1325 HOH 256) 20.87721111 +1 -0.81926766 +1 9.98019344 +1 0.3602 H( 1326 HOH 256) 19.75006719 +1 -1.26638110 +1 10.86226155 +1 0.3309 H( 1327 HOH 257) 22.31485108 +1 0.29405411 +1 0.28786403 +1 0.3633 H( 1328 HOH 257) 22.76970204 +1 -0.04109035 +1 -1.15195349 +1 0.3593 H( 1329 HOH 258) 24.97499021 +1 -0.47141167 +1 -1.66491139 +1 0.3559 H( 1330 HOH 258) 24.33995116 +1 0.04119918 +1 -2.95633874 +1 0.3387 H( 1331 HOH 259) 63.65666624 +1 2.49143053 +1 0.57722403 +1 0.3316 H( 1332 HOH 259) 62.61930976 +1 2.30073670 +1 1.66324996 +1 0.3826 H( 1333 HOH 260) 25.12991102 +1 0.10178973 +1 0.66324602 +1 0.3616 H( 1334 HOH 260) 26.60443232 +1 0.12209910 +1 0.91823496 +1 0.3585 H( 1335 HOH 261) 45.21292111 +1 -3.50068393 +1 2.88117771 +1 0.3317 H( 1336 HOH 261) 46.14931167 +1 -3.55898536 +1 1.69715325 +1 0.3662 H( 1337 HOH 262) 26.68337019 +1 -5.36479967 +1 9.39287367 +1 0.3402 H( 1338 HOH 262) 26.55422891 +1 -5.24766088 +1 10.89944976 +1 0.3319 H( 1339 HOH 263) 41.37241305 +1 6.45906388 +1 1.07724996 +1 0.3328 H( 1340 HOH 263) 40.75789226 +1 5.10225118 +1 0.83972090 +1 0.3654 H( 1341 HOH 264) 30.24442696 +1 7.34593233 +1 5.11353235 +1 0.3714 H( 1342 HOH 264) 29.14502240 +1 7.80529289 +1 4.16758717 +1 0.3381 H( 1343 HOH 265) 29.06113455 +1 -0.84549319 +1 10.26911585 +1 0.3376 H( 1344 HOH 265) 28.83859899 +1 -2.35985454 +1 10.49509433 +1 0.3547 H( 1345 HOH 266) 57.65870011 +1 -6.93353427 +1 7.18534453 +1 0.3383 H( 1346 HOH 266) 56.96091287 +1 -5.79580590 +1 7.92514481 +1 0.3410 H( 1347 HOH 267) 64.61119377 +1 -4.21632959 +1 5.45497746 +1 0.3701 H( 1348 HOH 267) 65.31289964 +1 -5.21999023 +1 4.55771734 +1 0.3343 H( 1349 HOH 268) 22.93053062 +1 1.63465338 +1 14.04202710 +1 0.3421 H( 1350 HOH 268) 21.89036967 +1 0.60145741 +1 13.64120645 +1 0.3432 H( 1351 HOH 269) 77.53307017 +1 10.46161424 +1 2.05443503 +1 0.3388 H( 1352 HOH 269) 76.29448526 +1 9.74172089 +1 2.57591600 +1 0.3397 H( 1353 HOH 270) 45.35322740 +1 1.28420645 +1 8.89576777 +1 0.3853 H( 1354 HOH 270) 45.96272540 +1 0.87765460 +1 10.23571162 +1 0.3491 H( 1355 HOH 271) 37.35452062 +1 6.10323290 +1 10.01435891 +1 0.3345 H( 1356 HOH 271) 38.65312168 +1 5.54120229 +1 9.47493865 +1 0.3691 H( 1357 HOH 272) 52.61123960 +1 -6.38282114 +1 10.19727077 +1 0.3434 H( 1358 HOH 272) 51.53695339 +1 -7.37856632 +1 10.63686810 +1 0.3369 H( 1359 HOH 273) 37.93638279 +1 2.21468235 +1 5.69169028 +1 0.3830 H( 1360 HOH 273) 38.90525321 +1 1.30243857 +1 4.81613354 +1 0.3836 H( 1361 HOH 274) 46.88272685 +1 -1.57311617 +1 2.37259997 +1 0.3644 H( 1362 HOH 274) 48.05399936 +1 -1.88891391 +1 1.42081061 +1 0.3710 H( 1363 HOH 275) 12.44671410 +1 -0.12658066 +1 13.58767293 +1 0.3328 H( 1364 HOH 275) 11.12437914 +1 0.32094710 +1 12.96906514 +1 0.3754 H( 1365 HOH 276) 71.16497871 +1 -0.13353839 +1 15.52912005 +1 0.3428 H( 1366 HOH 276) 70.30964460 +1 -0.88867189 +1 14.50957064 +1 0.3428 H( 1367 HOH 277) 69.56492143 +1 4.92914691 +1 11.11754312 +1 0.3424 H( 1368 HOH 277) 68.68018708 +1 5.55687035 +1 12.17717491 +1 0.3312 H( 1369 HOH 278) 3.70807707 +1 0.02024857 +1 13.95071421 +1 0.3285 H( 1370 HOH 278) 2.26921346 +1 -0.31550146 +1 14.29338276 +1 0.3268 H( 1371 HOH 279) 60.77326469 +1 3.78332411 +1 0.47103998 +1 0.3640 H( 1372 HOH 279) 59.68085140 +1 3.46966252 +1 -0.56469300 +1 0.3607 H( 1373 HOH 280) 72.42694654 +1 6.40009222 +1 4.77559697 +1 0.3570 H( 1374 HOH 280) 71.35138890 +1 5.36972612 +1 5.14779621 +1 0.3767 H( 1375 HOH 281) 69.91570165 +1 7.15954007 +1 5.59665904 +1 0.3736 H( 1376 HOH 281) 69.05992255 +1 6.04679388 +1 5.02067516 +1 0.3518 H( 1377 HOH 282) 71.38475103 +1 -2.28056810 +1 -1.09230940 +1 0.3463 H( 1378 HOH 282) 70.48936737 +1 -1.83010991 +1 -2.24115672 +1 0.3400 H( 1379 HOH 283) 72.86666292 +1 -4.36530930 +1 0.91136145 +1 0.3368 H( 1380 HOH 283) 73.16890593 +1 -5.44926213 +1 -0.11875984 +1 0.3344 H( 1381 HOH 284) 71.45312768 +1 1.88670153 +1 12.33899131 +1 0.3673 H( 1382 HOH 284) 71.13851445 +1 0.74543932 +1 13.35488646 +1 0.3698 H( 1383 HOH 285) 69.49013958 +1 1.11138905 +1 11.52373950 +1 0.3617 H( 1384 HOH 285) 68.38316975 +1 1.34946636 +1 10.44912194 +1 0.3917