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Mpro-P0157.pdb
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REMARK --------------------- added by autoBUSTER ---------------------------------START
REMARK run at = Fri May 7 15:43:49 BST 2021
REMARK in = /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_building/Mpro-P0157
REMARK user = ill13029
REMARK cmd = \
REMARK /dls_sw/apps/GPhL/BUSTER/20210420/autoBUSTER/bin/linux64/refine \
REMARK -p \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_building/Mpro-P0157/cootOut/Refine_11/in.pdb \
REMARK -m \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_building/Mpro-P0157/Mpro-P0157.free.mtz \
REMARK -l \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_building/Mpro-P0157/PET-UNK-29afea89-2.cif \
REMARK -autoncs -M TLSbasic -d Refine_11
REMARK Files used:
REMARK PDB = Refine_11/pdbchk.pdb
REMARK MTZ = /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_building/Mpro-P0157/Mpro-P0157.free.mtz
REMARK output written to subdirectory = Refine_11
REMARK best refinement for F,SIGF with R/Rfree 0.2190/0.2570
REMARK header records are copied from input PDB file (apart from REMARK 3!)
REMARK --------------------- added by autoBUSTER -----------------------------------END
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK run at = Fri Mar 5 17:49:51 GMT 2021
REMARK in = /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK user = ill13029
REMARK cmd = \
REMARK /dls_sw/apps/GPhL/BUSTER/20200918/autoBUSTER/bin/linux64/refin
REMARK -p \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -m \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -l \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -autoncs -M TLSbasic -d Refine_7
REMARK Files used:
REMARK PDB = Refine_7/pdbchk.pdb
REMARK MTZ = /dls/labxchem/data/2021/lb27963-12/processing/analys
REMARK output written to subdirectory = Refine_7
REMARK best refinement for F,SIGF with R/Rfree 0.2037/0.2232
REMARK header records are copied from input PDB file (apart from REMARK 3!)
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK run at = Tue Mar 2 20:22:44 GMT 2021
REMARK in = /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK user = ill13029
REMARK cmd = \
REMARK /dls_sw/apps/GPhL/BUSTER/20200918/autoBUSTER/bin/linux64/refin
REMARK -p \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -m \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -l \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -autoncs -M TLSbasic -d Refine_6
REMARK Files used:
REMARK PDB = Refine_6/pdbchk.pdb
REMARK MTZ = /dls/labxchem/data/2021/lb27963-12/processing/analys
REMARK output written to subdirectory = Refine_6
REMARK best refinement for F,SIGF with R/Rfree 0.2044/0.2230
REMARK header records are copied from input PDB file (apart from REMARK 3!)
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK run at = Tue Mar 2 19:48:20 GMT 2021
REMARK in = /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK user = ill13029
REMARK cmd = \
REMARK /dls_sw/apps/GPhL/BUSTER/20200918/autoBUSTER/bin/linux64/refin
REMARK -p \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -m \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -l \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -autoncs -M TLSbasic -d Refine_5
REMARK Files used:
REMARK PDB = Refine_5/pdbchk.pdb
REMARK MTZ = /dls/labxchem/data/2021/lb27963-12/processing/analys
REMARK output written to subdirectory = Refine_5
REMARK best refinement for F,SIGF with R/Rfree 0.2040/0.2223
REMARK header records are copied from input PDB file (apart from REMARK 3!)
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK run at = Thu Feb 25 10:20:45 GMT 2021
REMARK in = /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK user = ill13029
REMARK cmd = \
REMARK /dls_sw/apps/GPhL/BUSTER/20200918/autoBUSTER/bin/linux64/refin
REMARK -p \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -m \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -l \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -autoncs -M TLSbasic -d Refine_4
REMARK Files used:
REMARK PDB = Refine_4/pdbchk.pdb
REMARK MTZ = /dls/labxchem/data/2021/lb27963-12/processing/analys
REMARK output written to subdirectory = Refine_4
REMARK best refinement for F,SIGF with R/Rfree 0.2056/0.2240
REMARK header records are copied from input PDB file (apart from REMARK 3!)
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK run at = Thu Feb 25 09:37:56 GMT 2021
REMARK in = /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK user = ill13029
REMARK cmd = \
REMARK /dls_sw/apps/GPhL/BUSTER/20200918/autoBUSTER/bin/linux64/refin
REMARK -p \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -m \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -l \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -autoncs -M TLSbasic -d Refine_3
REMARK Files used:
REMARK PDB = Refine_3/pdbchk.pdb
REMARK MTZ = /dls/labxchem/data/2021/lb27963-12/processing/analys
REMARK output written to subdirectory = Refine_3
REMARK best refinement for F,SIGF with R/Rfree 0.2092/0.2267
REMARK header records are copied from input PDB file (apart from REMARK 3!)
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK run at = Wed Feb 24 20:27:05 GMT 2021
REMARK in = /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK user = ill13029
REMARK cmd = \
REMARK /dls_sw/apps/GPhL/BUSTER/20200918/autoBUSTER/bin/linux64/refin
REMARK -p \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -m \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -l \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -autoncs -M TLSbasic -B user -Gelly gelly.dat -d Refine_2
REMARK Files used:
REMARK PDB = Refine_2/pdbchk.pdb
REMARK MTZ = /dls/labxchem/data/2021/lb27963-12/processing/analys
REMARK Gelly commands = /dls/labxchem/data/2021/lb27963-12/processing/an
REMARK output written to subdirectory = Refine_2
REMARK best refinement for F,SIGF with R/Rfree 0.2111/0.2282
REMARK header records are copied from input PDB file (apart from REMARK 3!)
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK --------------------- added by autoBUSTER -------------------------------
REMARK run at = Tue Feb 23 22:55:33 GMT 2021
REMARK in = /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK user = ill13029
REMARK cmd = \
REMARK /dls_sw/apps/GPhL/BUSTER/20200918/autoBUSTER/bin/linux64/refin
REMARK -p \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -m \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -l \
REMARK /dls/labxchem/data/2021/lb27963-12/processing/analysis/model_b
REMARK -autoncs -M TLSbasic -d Refine_1
REMARK Files used:
REMARK PDB = Refine_1/pdbchk.pdb
REMARK MTZ = /dls/labxchem/data/2021/lb27963-12/processing/analys
REMARK output written to subdirectory = Refine_1
REMARK best refinement for F,SIGF with R/Rfree 0.2141/0.2288
REMARK header records are copied from input PDB file (apart from REMARK 3!)
REMARK --------------------- added by autoBUSTER -------------------------------
HEADER HYDROLASE 03-FEB-21
TITLE ---
COMPND ---
EXPDTA X-RAY DIFFRACTION
REMARK 2
REMARK 2 RESOLUTION. 1.92 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : BUSTER 2.10.4 (20-APR-2021)
REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER,
REMARK 3 : PACIOREK,ROVERSI,SHARFF,SMART,VONRHEIN,WOMACK;
REMARK 3 : MATTHEWS,TEN EYCK,TRONRUD
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.924
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 37.78
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 90.5
REMARK 3 NUMBER OF REFLECTIONS : 47713
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING + TEST SET) : 0.2207
REMARK 3 R VALUE (WORKING SET) : 0.2190
REMARK 3 FREE R VALUE : 0.2570
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.680
REMARK 3 FREE R VALUE TEST SET COUNT : 2232
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 : 51
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.92
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.94
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.35
REMARK 3 REFLECTIONS IN BIN (WORKING+TEST) : 955
REMARK 3 BIN R VALUE (WORKING+TEST) : 0.3939
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 913
REMARK 3 BIN R VALUE (WORKING SET) : 0.3949
REMARK 3 BIN FREE R VALUE : 0.3711
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.40
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 42
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 : 4681
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 102
REMARK 3 SOLVENT ATOMS : 296
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 36.12
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 42.45
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 6.43370
REMARK 3 B22 (A**2) : -3.68070
REMARK 3 B33 (A**2) : -2.75300
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.28
REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : 0.194
REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : 0.168
REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : 0.186
REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : 0.166
REMARK 3
REMARK 3 REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797
REMARK 3 CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601
REMARK 3
REMARK 3 CORRELATION COEFFICIENTS.
REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.944
REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.926
REMARK 3
REMARK 3 X-RAY WEIGHT : 5.99
REMARK 3
REMARK 3 GEOMETRY FUNCTION.
REMARK 3 RESTRAINT LIBRARIES.
REMARK 3 NUMBER OF LIBRARIES USED : 9
REMARK 3 LIBRARY 1 : protgeo_eh99.dat (V1.6.4.17) 20191001 STANDARD
REMARK 3 AMINO ACID DICTIONARY. BONDS AND ANGLES FROM
REMARK 3 ENGH AND HUBER EH99. OTHER VALUES BASED ON
REMARK 3 PREVIOUS TNT OR TAKEN FROM CCP4. INCLUDES
REMARK 3 HYDROGEN ATOMS.
REMARK 3 LIBRARY 2 : exoticaa.dat (V1.3.4.15) 20200327 COLLECTION
REMARK 3 OF NON-STANDARD AMINO ACIDS, MAINLY EH91
REMARK 3 WITHOUT IDEAL DISTANCE INFO
REMARK 3 LIBRARY 3 : nuclgeo.dat (V1.13.4.8) 20190909
REMARK 3 LIBRARY 4 : bcorrel.dat (V1.15.10.2) 20190616
REMARK 3 LIBRARY 5 : contact.dat (V1.15.12.10) 20191121
REMARK 3 LIBRARY 6 : idealdist_contact.dat (V1.3.4.12) 20191001
REMARK 3 IDEAL-DISTANCE CONTACT TERM DATA AS USED IN
REMARK 3 PROLSQ. VALUES USED HERE ARE BASED ON DATA
REMARK 3 HARVESTING OF PDB AS OF 20190109.
REMARK 3 LIBRARY 7 : restraints for LIG (unknown) from cif
REMARK 3 dictionary PET-UNK-29afea89-2.cif; generated by
REMARK 3 GRADE 1.2.19 (Nov 11 2019) from SMILES
REMARK 3 CO[C@]1(CCOC=2C=CC(Cl)=CC21)C(=O)NC=3C=NC=C4C=CC
REMARK 3 =CC34 using MOGUL 1.8.5(274361), CSD as541be,
REMARK 3 with quantum mechanics RM1
REMARK 3 LIBRARY 8 : restraints for DMS (DIMETHYL SULFOXIDE) from
REMARK 3 cif dictionary DMS.cif; buster common-compounds
REMARK 3 v 2.0 (19 Dec 2011)
REMARK 3 LIBRARY 9 : assume.dat (V1.9.4.2) 20180705
REMARK 3
REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15
REMARK 3 TERM COUNT WEIGHT FUNCTION.
REMARK 3 BOND LENGTHS : 4880 ; 2.00 ; HARMONIC
REMARK 3 BOND ANGLES : 6625 ; 2.00 ; HARMONIC
REMARK 3 TORSION ANGLES : 1630 ; 2.00 ; SINUSOIDAL
REMARK 3 TRIGONAL CARBON PLANES : NULL ; NULL ; NULL
REMARK 3 GENERAL PLANES : 868 ; 5.00 ; HARMONIC
REMARK 3 ISOTROPIC THERMAL FACTORS : 4880 ; 10.00 ; HARMONIC
REMARK 3 BAD NON-BONDED CONTACTS : NULL ; NULL ; NULL
REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL
REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL
REMARK 3 CHIRAL IMPROPER TORSION : 625 ; 5.00 ; SEMIHARMONIC
REMARK 3 SUM OF OCCUPANCIES : NULL ; NULL ; NULL
REMARK 3 UTILITY DISTANCES : NULL ; NULL ; NULL
REMARK 3 UTILITY ANGLES : NULL ; NULL ; NULL
REMARK 3 UTILITY TORSION : NULL ; NULL ; NULL
REMARK 3 IDEAL-DIST CONTACT TERM : 4459 ; 4.00 ; SEMIHARMONIC
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.008
REMARK 3 BOND ANGLES (DEGREES) : 1.00
REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 3.87
REMARK 3 OTHER TORSION ANGLES (DEGREES) : 16.20
REMARK 3
REMARK 3 SIMILARITY.
REMARK 3 NCS.
REMARK 3 NCS METHOD: RESTRAINT LSSR (-AUTONCS)
REMARK 3 TARGET RESTRAINTS.
REMARK 3 TARGET REPRESENTATION : NONE
REMARK 3 TARGET STRUCTURE : NULL
REMARK 3
REMARK 3 TLS DETAILS.
REMARK 3 NUMBER OF TLS GROUPS : 2
REMARK 3
REMARK 3 TLS GROUP : 1
REMARK 3 SET : { A|* }
REMARK 3 ORIGIN FOR THE GROUP (A): -8.6534 -5.8926 27.2933
REMARK 3 T TENSOR
REMARK 3 T11: -0.0916 T22: 0.0912
REMARK 3 T33: -0.0894 T12: -0.0251
REMARK 3 T13: 0.0038 T23: -0.0014
REMARK 3 L TENSOR
REMARK 3 L11: 2.5274 L22: 0.1918
REMARK 3 L33: 0.8149 L12: 0.1811
REMARK 3 L13: 0.4535 L23: -0.1058
REMARK 3 S TENSOR
REMARK 3 S11: -0.0085 S12: -0.0173 S13: 0.0624
REMARK 3 S21: 0.0254 S22: -0.0298 S23: -0.0253
REMARK 3 S31: 0.0398 S32: -0.1086 S33: 0.0383
REMARK 3
REMARK 3 TLS GROUP : 2
REMARK 3 SET : { B|* }
REMARK 3 ORIGIN FOR THE GROUP (A): 4.4385 1.0607 5.7552
REMARK 3 T TENSOR
REMARK 3 T11: -0.0519 T22: 0.0824
REMARK 3 T33: -0.0820 T12: 0.0047
REMARK 3 T13: 0.0282 T23: 0.0243
REMARK 3 L TENSOR
REMARK 3 L11: 0.1948 L22: 1.2130
REMARK 3 L33: 1.6772 L12: 0.0108
REMARK 3 L13: -0.0441 L23: 1.0935
REMARK 3 S TENSOR
REMARK 3 S11: -0.0223 S12: 0.0468 S13: -0.0039
REMARK 3 S21: -0.0555 S22: -0.0256 S23: -0.0785
REMARK 3 S31: -0.0049 S32: 0.0160 S33: 0.0478
REMARK 3
REMARK 3 REFINEMENT NOTES.
REMARK 3 NUMBER OF REFINEMENT NOTES : 1
REMARK 3 NOTE 1 : IDEAL-DIST CONTACT TERM CONTACT SETUP. ALL ATOMS
REMARK 3 HAVE CCP4 ATOM TYPE FROM LIBRARY
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 3
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 1/2-X,-Y,1/2+Z
REMARK 290 3555 -X,1/2+Y,1/2-Z
REMARK 290 4555 1/2+X,1/2-Y,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 33.65050
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 51.50100
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 49.29900
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 51.50100
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 33.65050
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 49.29900
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
CRYST1 67.301 98.598 103.002 90.00 90.00 90.00 P 21 21 21
ATOM 1 N SER A 1 13.554 -10.006 13.375 1.00 46.54 N
ANISOU 1 N SER A 1 4272 8618 4794 175 253 -165 N
ATOM 2 CA SER A 1 13.899 -9.003 14.369 1.00 47.11 C
ANISOU 2 CA SER A 1 4400 8573 4927 126 222 1 C
ATOM 3 CB SER A 1 15.367 -8.593 14.218 1.00 49.37 C
ANISOU 3 CB SER A 1 4596 8987 5174 130 225 73 C
ATOM 4 OG SER A 1 15.617 -7.204 14.347 1.00 53.62 O
ANISOU 4 OG SER A 1 5119 9553 5703 52 199 261 O
ATOM 5 C SER A 1 12.880 -7.803 14.369 1.00 46.80 C
ANISOU 5 C SER A 1 4399 8503 4879 44 199 137 C
ATOM 6 O SER A 1 11.968 -7.747 13.540 1.00 46.82 O
ANISOU 6 O SER A 1 4376 8595 4818 25 210 118 O
ATOM 7 N GLY A 2 13.014 -6.909 15.341 1.00 46.01 N
ANISOU 7 N GLY A 2 4358 8271 4854 1 167 261 N
ATOM 8 CA GLY A 2 12.093 -5.802 15.552 1.00 45.80 C
ANISOU 8 CA GLY A 2 4374 8173 4856 -65 138 375 C
ATOM 9 C GLY A 2 11.052 -6.178 16.586 1.00 45.34 C
ANISOU 9 C GLY A 2 4438 7905 4884 -57 127 315 C
ATOM 10 O GLY A 2 10.783 -7.366 16.794 1.00 46.05 O
ANISOU 10 O GLY A 2 4568 7938 4991 -8 144 186 O
ATOM 11 N PHE A 3 10.471 -5.186 17.260 1.00 44.11 N
ANISOU 11 N PHE A 3 4336 7634 4789 -105 95 405 N
ATOM 12 CA PHE A 3 9.444 -5.458 18.261 1.00 43.46 C
ANISOU 12 CA PHE A 3 4358 7378 4775 -101 84 354 C
ATOM 13 CB PHE A 3 10.027 -5.558 19.665 1.00 42.81 C
ANISOU 13 CB PHE A 3 4338 7159 4770 -92 66 352 C
ATOM 14 CG PHE A 3 9.205 -6.447 20.562 1.00 42.66 C
ANISOU 14 CG PHE A 3 4405 7010 4795 -69 68 267 C
ATOM 15 CD1 PHE A 3 9.134 -7.801 20.336 1.00 42.86 C
ANISOU 15 CD1 PHE A 3 4436 7036 4813 -22 91 163 C
ATOM 16 CE1 PHE A 3 8.379 -8.611 21.154 1.00 43.39 C
ANISOU 16 CE1 PHE A 3 4573 6983 4930 -11 87 107 C
ATOM 17 CZ PHE A 3 7.678 -8.078 22.197 1.00 43.30 C
ANISOU 17 CZ PHE A 3 4623 6874 4955 -44 65 147 C
ATOM 18 CD2 PHE A 3 8.500 -5.923 21.629 1.00 42.92 C
ANISOU 18 CD2 PHE A 3 4504 6924 4880 -97 44 291 C
ATOM 19 CE2 PHE A 3 7.752 -6.743 22.454 1.00 43.45 C
ANISOU 19 CE2 PHE A 3 4638 6895 4977 -83 45 228 C
ATOM 20 C PHE A 3 8.374 -4.403 18.187 1.00 43.21 C
ANISOU 20 C PHE A 3 4342 7312 4762 -148 62 430 C
ATOM 21 O PHE A 3 8.645 -3.220 18.340 1.00 44.19 O
ANISOU 21 O PHE A 3 4446 7419 4925 -189 31 540 O
ATOM 22 N ARG A 4 7.168 -4.829 17.897 1.00 41.72 N
ANISOU 22 N ARG A 4 4182 7115 4554 -143 75 372 N
ATOM 23 CA ARG A 4 6.053 -3.932 17.745 1.00 41.02 C
ANISOU 23 CA ARG A 4 4101 7002 4481 -179 56 435 C
ATOM 24 CB ARG A 4 5.570 -4.003 16.290 1.00 42.00 C
ANISOU 24 CB ARG A 4 4150 7296 4513 -188 74 445 C
ATOM 25 CG ARG A 4 6.375 -3.160 15.341 1.00 45.41 C
ANISOU 25 CG ARG A 4 4475 7880 4897 -219 65 568 C
ATOM 26 CD ARG A 4 5.942 -1.735 15.519 1.00 49.03 C
ANISOU 26 CD ARG A 4 4928 8272 5430 -267 21 710 C
ATOM 27 NE ARG A 4 6.559 -0.838 14.556 1.00 52.32 N
ANISOU 27 NE ARG A 4 5234 8833 5814 -309 3 860 N
ATOM 28 CZ ARG A 4 6.376 0.478 14.534 1.00 54.57 C
ANISOU 28 CZ ARG A 4 5487 9070 6178 -357 -44 1009 C
ATOM 29 NH1 ARG A 4 5.588 1.063 15.430 1.00 54.85 N
ANISOU 29 NH1 ARG A 4 5595 8918 6329 -360 -75 1008 N
ATOM 30 NH2 ARG A 4 6.984 1.221 13.621 1.00 53.60 N
ANISOU 30 NH2 ARG A 4 5251 9088 6024 -402 -64 1162 N
ATOM 31 C ARG A 4 4.919 -4.346 18.636 1.00 39.95 C
ANISOU 31 C ARG A 4 4056 6733 4392 -170 54 364 C
ATOM 32 O ARG A 4 4.707 -5.538 18.869 1.00 39.50 O
ANISOU 32 O ARG A 4 4036 6647 4324 -139 75 260 O
ATOM 33 N LYS A 5 4.082 -3.369 19.021 1.00 39.28 N
ANISOU 33 N LYS A 5 3993 6575 4357 -197 28 419 N
ATOM 34 CA LYS A 5 2.833 -3.675 19.687 1.00 39.56 C
ANISOU 34 CA LYS A 5 4096 6519 4418 -192 29 358 C
ATOM 35 CB LYS A 5 2.222 -2.454 20.365 1.00 40.97 C
ANISOU 35 CB LYS A 5 4291 6603 4671 -213 -5 412 C
ATOM 36 CG LYS A 5 1.044 -2.855 21.229 1.00 44.79 C
ANISOU 36 CG LYS A 5 4840 7006 5172 -204 -1 339 C
ATOM 37 CD LYS A 5 0.907 -1.956 22.402 1.00 48.37 C
ANISOU 37 CD LYS A 5 5321 7355 5703 -210 -32 345 C
ATOM 38 CE LYS A 5 2.028 -2.117 23.383 1.00 50.46 C
ANISOU 38 CE LYS A 5 5607 7575 5990 -207 -40 327 C
ATOM 39 NZ LYS A 5 2.025 -0.986 24.333 1.00 52.61 N
ANISOU 39 NZ LYS A 5 5884 7765 6340 -218 -76 334 N
ATOM 40 C LYS A 5 1.945 -4.180 18.533 1.00 40.04 C
ANISOU 40 C LYS A 5 4125 6682 4405 -191 52 328 C
ATOM 41 O LYS A 5 1.830 -3.524 17.483 1.00 41.04 O
ANISOU 41 O LYS A 5 4182 6916 4493 -211 47 402 O
ATOM 42 N MET A 6 1.544 -5.421 18.646 1.00 38.41 N
ANISOU 42 N MET A 6 3955 6462 4176 -170 74 223 N
ATOM 43 CA MET A 6 0.889 -6.091 17.552 1.00 37.57 C
ANISOU 43 CA MET A 6 3814 6461 3999 -168 96 166 C
ATOM 44 CB MET A 6 1.811 -7.230 17.129 1.00 38.88 C
ANISOU 44 CB MET A 6 3956 6684 4132 -135 119 77 C
ATOM 45 CG MET A 6 1.525 -7.773 15.809 1.00 43.63 C
ANISOU 45 CG MET A 6 4492 7436 4648 -131 140 14 C
ATOM 46 SD MET A 6 2.737 -9.092 15.571 1.00 52.21 S
ANISOU 46 SD MET A 6 5553 8556 5730 -80 161 -112 S
ATOM 47 CE MET A 6 4.121 -8.177 15.149 1.00 51.13 C
ANISOU 47 CE MET A 6 5339 8537 5551 -81 162 -10 C
ATOM 48 C MET A 6 -0.447 -6.621 17.970 1.00 35.01 C
ANISOU 48 C MET A 6 3544 6068 3689 -173 98 106 C
ATOM 49 O MET A 6 -0.535 -7.337 18.951 1.00 34.86 O
ANISOU 49 O MET A 6 3586 5942 3717 -162 97 52 O
ATOM 50 N ALA A 7 -1.474 -6.287 17.223 1.00 33.09 N
ANISOU 50 N ALA A 7 3271 5896 3405 -192 99 124 N
ATOM 51 CA ALA A 7 -2.803 -6.813 17.460 1.00 32.37 C
ANISOU 51 CA ALA A 7 3220 5764 3316 -201 102 68 C
ATOM 52 CB ALA A 7 -3.855 -5.780 17.047 1.00 32.05 C
ANISOU 52 CB ALA A 7 3149 5766 3261 -223 89 144 C
ATOM 53 C ALA A 7 -2.980 -8.106 16.629 1.00 31.59 C
ANISOU 53 C ALA A 7 3099 5740 3164 -194 123 -46 C
ATOM 54 O ALA A 7 -2.234 -8.349 15.676 1.00 31.48 O
ANISOU 54 O ALA A 7 3025 5843 3095 -182 137 -73 O
ATOM 55 N PHE A 8 -3.968 -8.922 16.979 1.00 31.11 N
ANISOU 55 N PHE A 8 3081 5619 3122 -203 125 -117 N
ATOM 56 CA PHE A 8 -4.310 -10.091 16.171 1.00 30.98 C
ANISOU 56 CA PHE A 8 3040 5662 3070 -202 137 -234 C
ATOM 57 CB PHE A 8 -5.240 -11.033 16.944 1.00 31.34 C
ANISOU 57 CB PHE A 8 3146 5590 3174 -217 129 -295 C
ATOM 58 CG PHE A 8 -4.473 -11.909 17.895 1.00 31.89 C
ANISOU 58 CG PHE A 8 3261 5527 3327 -197 122 -330 C
ATOM 59 CD1 PHE A 8 -3.755 -13.000 17.429 1.00 32.39 C
ANISOU 59 CD1 PHE A 8 3303 5588 3416 -170 126 -434 C
ATOM 60 CE1 PHE A 8 -2.984 -13.771 18.294 1.00 32.95 C
ANISOU 60 CE1 PHE A 8 3408 5534 3578 -147 114 -450 C
ATOM 61 CZ PHE A 8 -2.950 -13.465 19.624 1.00 33.12 C
ANISOU 61 CZ PHE A 8 3484 5452 3648 -158 100 -360 C
ATOM 62 CD2 PHE A 8 -4.412 -11.605 19.243 1.00 33.23 C
ANISOU 62 CD2 PHE A 8 3486 5586 3554 -201 109 -259 C
ATOM 63 CE2 PHE A 8 -3.634 -12.375 20.100 1.00 33.76 C
ANISOU 63 CE2 PHE A 8 3586 5549 3694 -185 99 -273 C
ATOM 64 C PHE A 8 -5.027 -9.608 14.931 1.00 30.34 C
ANISOU 64 C PHE A 8 2890 5743 2897 -224 143 -218 C
ATOM 65 O PHE A 8 -5.727 -8.597 14.966 1.00 29.38 O
ANISOU 65 O PHE A 8 2762 5638 2764 -243 133 -122 O
ATOM 66 N PRO A 9 -4.922 -10.354 13.816 1.00 30.49 N
ANISOU 66 N PRO A 9 2849 5888 2849 -219 157 -319 N
ATOM 67 CA PRO A 9 -5.689 -9.984 12.615 1.00 30.87 C
ANISOU 67 CA PRO A 9 2820 6114 2794 -245 162 -307 C
ATOM 68 CB PRO A 9 -5.267 -11.056 11.585 1.00 31.36 C
ANISOU 68 CB PRO A 9 2819 6303 2795 -231 179 -461 C
ATOM 69 CG PRO A 9 -3.940 -11.582 12.118 1.00 32.38 C
ANISOU 69 CG PRO A 9 2974 6340 2990 -188 184 -510 C
ATOM 70 CD PRO A 9 -4.131 -11.581 13.600 1.00 30.29 C
ANISOU 70 CD PRO A 9 2812 5853 2842 -189 167 -457 C
ATOM 71 C PRO A 9 -7.186 -9.996 12.947 1.00 31.15 C
ANISOU 71 C PRO A 9 2893 6096 2846 -276 151 -300 C
ATOM 72 O PRO A 9 -7.650 -10.910 13.632 1.00 31.82 O
ANISOU 72 O PRO A 9 3037 6057 2995 -280 147 -380 O
ATOM 73 N SER A 10 -7.902 -8.924 12.623 1.00 30.50 N
ANISOU 73 N SER A 10 2777 6087 2724 -297 143 -188 N
ATOM 74 CA SER A 10 -9.286 -8.747 13.071 1.00 31.01 C
ANISOU 74 CA SER A 10 2874 6095 2812 -320 132 -163 C
ATOM 75 CB SER A 10 -9.573 -7.265 13.261 1.00 32.22 C
ANISOU 75 CB SER A 10 3012 6245 2983 -321 115 -7 C
ATOM 76 OG SER A 10 -9.373 -6.611 12.012 1.00 34.63 O
ANISOU 76 OG SER A 10 3220 6731 3205 -332 113 68 O
ATOM 77 C SER A 10 -10.399 -9.319 12.205 1.00 31.41 C
ANISOU 77 C SER A 10 2881 6262 2790 -350 135 -234 C
ATOM 78 O SER A 10 -11.563 -9.201 12.573 1.00 31.52 O
ANISOU 78 O SER A 10 2919 6238 2821 -369 126 -214 O
ATOM 79 N GLY A 11 -10.062 -9.873 11.061 1.00 31.10 N
ANISOU 79 N GLY A 11 2772 6378 2665 -353 147 -318 N
ATOM 80 CA GLY A 11 -11.023 -10.421 10.106 1.00 31.25 C
ANISOU 80 CA GLY A 11 2734 6538 2601 -385 148 -402 C
ATOM 81 C GLY A 11 -12.095 -11.328 10.682 1.00 31.60 C
ANISOU 81 C GLY A 11 2836 6468 2702 -409 140 -491 C
ATOM 82 O GLY A 11 -13.270 -11.158 10.368 1.00 31.21 O
ANISOU 82 O GLY A 11 2762 6488 2611 -441 133 -471 O
ATOM 83 N LYS A 12 -11.706 -12.294 11.524 1.00 31.70 N
ANISOU 83 N LYS A 12 2920 6311 2814 -397 138 -580 N
ATOM 84 CA LYS A 12 -12.676 -13.220 12.117 1.00 33.07 C
ANISOU 84 CA LYS A 12 3143 6368 3053 -428 124 -651 C
ATOM 85 CB LYS A 12 -11.973 -14.352 12.887 1.00 35.36 C
ANISOU 85 CB LYS A 12 3492 6484 3460 -412 116 -741 C
ATOM 86 CG LYS A 12 -11.389 -15.418 11.952 1.00 38.45 C
ANISOU 86 CG LYS A 12 3833 6932 3844 -400 117 -914 C
ATOM 87 CD LYS A 12 -10.576 -16.445 12.731 1.00 44.00 C
ANISOU 87 CD LYS A 12 4587 7447 4683 -374 105 -985 C
ATOM 88 CE LYS A 12 -10.126 -17.583 11.846 1.00 49.40 C
ANISOU 88 CE LYS A 12 5218 8166 5386 -358 100 -1181 C
ATOM 89 NZ LYS A 12 -9.284 -17.095 10.722 1.00 53.68 N
ANISOU 89 NZ LYS A 12 5676 8913 5807 -322 126 -1221 N
ATOM 90 C LYS A 12 -13.683 -12.506 13.008 1.00 33.60 C
ANISOU 90 C LYS A 12 3253 6365 3147 -446 116 -532 C
ATOM 91 O LYS A 12 -14.815 -12.951 13.086 1.00 34.53 O
ANISOU 91 O LYS A 12 3374 6477 3267 -484 107 -563 O
ATOM 92 N VAL A 13 -13.303 -11.368 13.614 1.00 33.24 N
ANISOU 92 N VAL A 13 3230 6282 3120 -420 118 -403 N
ATOM 93 CA VAL A 13 -14.194 -10.592 14.454 1.00 34.17 C
ANISOU 93 CA VAL A 13 3376 6343 3265 -426 110 -305 C
ATOM 94 CB VAL A 13 -13.407 -9.891 15.593 1.00 35.64 C
ANISOU 94 CB VAL A 13 3615 6406 3521 -393 108 -227 C
ATOM 95 CG1 VAL A 13 -14.355 -9.118 16.505 1.00 36.12 C
ANISOU 95 CG1 VAL A 13 3696 6416 3611 -394 100 -153 C
ATOM 96 CG2 VAL A 13 -12.600 -10.909 16.387 1.00 36.10 C
ANISOU 96 CG2 VAL A 13 3730 6336 3649 -386 108 -292 C
ATOM 97 C VAL A 13 -15.030 -9.608 13.625 1.00 33.61 C
ANISOU 97 C VAL A 13 3236 6414 3118 -435 107 -227 C
ATOM 98 O VAL A 13 -16.193 -9.404 13.938 1.00 32.88 O
ANISOU 98 O VAL A 13 3146 6319 3028 -452 100 -198 O
ATOM 99 N GLU A 14 -14.451 -9.014 12.557 1.00 32.74 N
ANISOU 99 N GLU A 14 3057 6441 2942 -425 110 -184 N
ATOM 100 CA GLU A 14 -15.177 -8.084 11.688 1.00 32.70 C
ANISOU 100 CA GLU A 14 2973 6584 2867 -435 101 -89 C
ATOM 101 CB GLU A 14 -14.287 -7.621 10.533 1.00 33.46 C
ANISOU 101 CB GLU A 14 2987 6841 2886 -430 104 -41 C
ATOM 102 CG GLU A 14 -13.175 -6.687 10.917 1.00 34.61 C
ANISOU 102 CG GLU A 14 3142 6920 3087 -400 98 65 C
ATOM 103 CD GLU A 14 -12.193 -6.549 9.767 1.00 41.40 C
ANISOU 103 CD GLU A 14 3917 7955 3860 -402 105 90 C
ATOM 104 OE1 GLU A 14 -12.613 -6.178 8.645 1.00 41.37 O
ANISOU 104 OE1 GLU A 14 3814 8145 3758 -426 99 149 O
ATOM 105 OE2 GLU A 14 -10.996 -6.833 9.986 1.00 43.52 O
ANISOU 105 OE2 GLU A 14 4207 8179 4148 -382 115 51 O
ATOM 106 C GLU A 14 -16.444 -8.727 11.089 1.00 33.43 C
ANISOU 106 C GLU A 14 3029 6778 2894 -476 100 -156 C
ATOM 107 O GLU A 14 -17.492 -8.081 10.999 1.00 34.08 O
ANISOU 107 O GLU A 14 3080 6908 2962 -485 89 -78 O
ATOM 108 N GLY A 15 -16.345 -9.996 10.719 1.00 32.92 N
ANISOU 108 N GLY A 15 2966 6738 2804 -498 108 -303 N
ATOM 109 CA GLY A 15 -17.477 -10.731 10.178 1.00 33.78 C
ANISOU 109 CA GLY A 15 3042 6933 2861 -542 103 -388 C
ATOM 110 C GLY A 15 -18.597 -10.980 11.171 1.00 34.31 C
ANISOU 110 C GLY A 15 3165 6879 2993 -564 94 -383 C
ATOM 111 O GLY A 15 -19.652 -11.494 10.786 1.00 34.22 O
ANISOU 111 O GLY A 15 3123 6936 2942 -606 87 -436 O
ATOM 112 N CYS A 16 -18.391 -10.581 12.456 1.00 34.19 N
ANISOU 112 N CYS A 16 3223 6698 3069 -538 93 -316 N
ATOM 113 CA CYS A 16 -19.352 -10.714 13.539 1.00 34.22 C
ANISOU 113 CA CYS A 16 3273 6601 3128 -554 87 -298 C
ATOM 114 CB CYS A 16 -18.731 -11.449 14.721 1.00 35.31 C
ANISOU 114 CB CYS A 16 3492 6564 3359 -550 87 -338 C
ATOM 115 SG CYS A 16 -18.061 -13.070 14.313 1.00 39.87 S
ANISOU 115 SG CYS A 16 4083 7096 3968 -575 82 -491 S
ATOM 116 C CYS A 16 -19.939 -9.394 13.995 1.00 34.16 C
ANISOU 116 C CYS A 16 3254 6597 3130 -526 83 -173 C
ATOM 117 O CYS A 16 -20.852 -9.425 14.813 1.00 34.75 O
ANISOU 117 O CYS A 16 3349 6622 3233 -538 80 -160 O
ATOM 118 N MET A 17 -19.408 -8.243 13.545 1.00 33.31 N
ANISOU 118 N MET A 17 3108 6537 3010 -489 81 -80 N
ATOM 119 CA MET A 17 -19.911 -6.963 14.037 1.00 33.05 C
ANISOU 119 CA MET A 17 3062 6478 3019 -456 70 30 C
ATOM 120 CB MET A 17 -18.844 -5.861 13.955 1.00 32.96 C
ANISOU 120 CB MET A 17 3038 6437 3047 -414 62 121 C
ATOM 121 CG MET A 17 -17.574 -6.184 14.742 1.00 34.12 C
ANISOU 121 CG MET A 17 3255 6458 3249 -397 71 80 C
ATOM 122 SD MET A 17 -17.796 -6.859 16.419 1.00 33.23 S
ANISOU 122 SD MET A 17 3233 6189 3205 -397 78 12 S
ATOM 123 CE MET A 17 -18.631 -5.495 17.266 1.00 32.84 C
ANISOU 123 CE MET A 17 3168 6096 3213 -359 63 88 C
ATOM 124 C MET A 17 -21.190 -6.527 13.382 1.00 32.88 C
ANISOU 124 C MET A 17 2968 6579 2947 -469 60 80 C
ATOM 125 O MET A 17 -21.299 -6.523 12.150 1.00 32.98 O
ANISOU 125 O MET A 17 2910 6742 2878 -490 56 97 O
ATOM 126 N VAL A 18 -22.183 -6.196 14.216 1.00 32.91 N
ANISOU 126 N VAL A 18 2981 6533 2989 -458 55 100 N
ATOM 127 CA VAL A 18 -23.497 -5.723 13.765 1.00 33.39 C
ANISOU 127 CA VAL A 18 2972 6698 3015 -463 44 152 C
ATOM 128 CB VAL A 18 -24.603 -6.803 13.871 1.00 33.22 C
ANISOU 128 CB VAL A 18 2954 6723 2946 -517 51 71 C
ATOM 129 CG1 VAL A 18 -24.284 -8.009 12.995 1.00 33.56 C
ANISOU 129 CG1 VAL A 18 2994 6837 2920 -572 56 -23 C
ATOM 130 CG2 VAL A 18 -24.849 -7.204 15.328 1.00 33.33 C
ANISOU 130 CG2 VAL A 18 3035 6611 3018 -517 59 28 C
ATOM 131 C VAL A 18 -23.867 -4.473 14.559 1.00 34.09 C
ANISOU 131 C VAL A 18 3052 6711 3189 -406 31 230 C
ATOM 132 O VAL A 18 -23.212 -4.148 15.559 1.00 33.57 O
ANISOU 132 O VAL A 18 3040 6516 3201 -372 33 221 O
ATOM 133 N GLN A 19 -24.866 -3.740 14.074 1.00 34.69 N
ANISOU 133 N GLN A 19 3052 6871 3257 -392 14 305 N
ATOM 134 CA GLN A 19 -25.378 -2.540 14.710 1.00 36.28 C
ANISOU 134 CA GLN A 19 3226 7008 3550 -331 -4 368 C
ATOM 135 CB GLN A 19 -25.737 -1.523 13.617 1.00 38.72 C
ANISOU 135 CB GLN A 19 3436 7410 3866 -312 -34 499 C
ATOM 136 CG GLN A 19 -26.067 -0.148 14.146 1.00 43.28 C
ANISOU 136 CG GLN A 19 3975 7896 4573 -240 -63 572 C
ATOM 137 CD GLN A 19 -26.505 0.743 13.030 1.00 51.02 C
ANISOU 137 CD GLN A 19 4849 8971 5565 -228 -98 717 C
ATOM 138 OE1 GLN A 19 -27.318 0.370 12.184 1.00 53.41 O
ANISOU 138 OE1 GLN A 19 5092 9429 5771 -264 -98 745 O
ATOM 139 NE2 GLN A 19 -25.976 1.941 12.990 1.00 52.89 N
ANISOU 139 NE2 GLN A 19 5052 9120 5925 -181 -134 821 N
ATOM 140 C GLN A 19 -26.633 -2.911 15.483 1.00 36.55 C
ANISOU 140 C GLN A 19 3262 7054 3572 -337 7 310 C
ATOM 141 O GLN A 19 -27.510 -3.574 14.935 1.00 37.00 O
ANISOU 141 O GLN A 19 3285 7225 3546 -383 11 293 O
ATOM 142 N VAL A 20 -26.745 -2.486 16.735 1.00 36.57 N
ANISOU 142 N VAL A 20 3292 6955 3647 -293 9 278 N
ATOM 143 CA VAL A 20 -27.929 -2.741 17.550 1.00 37.10 C
ANISOU 143 CA VAL A 20 3347 7050 3698 -294 19 229 C
ATOM 144 CB VAL A 20 -27.642 -3.618 18.787 1.00 36.92 C
ANISOU 144 CB VAL A 20 3399 6965 3665 -320 42 141 C
ATOM 145 CG1 VAL A 20 -28.888 -3.766 19.645 1.00 36.72 C
ANISOU 145 CG1 VAL A 20 3343 6992 3617 -321 52 105 C
ATOM 146 CG2 VAL A 20 -27.089 -4.985 18.384 1.00 36.83 C
ANISOU 146 CG2 VAL A 20 3440 6962 3591 -395 55 100 C
ATOM 147 C VAL A 20 -28.551 -1.409 17.961 1.00 38.90 C
ANISOU 147 C VAL A 20 3515 7251 4015 -214 0 266 C
ATOM 148 O VAL A 20 -27.884 -0.558 18.565 1.00 39.29 O
ANISOU 148 O VAL A 20 3578 7189 4162 -157 -12 265 O
ATOM 149 N THR A 21 -29.818 -1.211 17.608 1.00 39.38 N
ANISOU 149 N THR A 21 3502 7411 4050 -208 -7 295 N
ATOM 150 CA THR A 21 -30.515 0.021 17.931 1.00 40.88 C
ANISOU 150 CA THR A 21 3622 7579 4333 -126 -29 325 C
ATOM 151 CB THR A 21 -30.908 0.756 16.657 1.00 42.10 C
ANISOU 151 CB THR A 21 3689 7798 4508 -109 -62 447 C
ATOM 152 OG1 THR A 21 -29.728 1.107 15.927 1.00 42.26 O
ANISOU 152 OG1 THR A 21 3725 7769 4565 -115 -80 522 O
ATOM 153 CG2 THR A 21 -31.751 1.995 16.926 1.00 42.32 C
ANISOU 153 CG2 THR A 21 3631 7799 4650 -21 -91 482 C
ATOM 154 C THR A 21 -31.721 -0.268 18.784 1.00 42.48 C
ANISOU 154 C THR A 21 3796 7846 4498 -121 -12 256 C
ATOM 155 O THR A 21 -32.444 -1.233 18.547 1.00 42.91 O
ANISOU 155 O THR A 21 3845 8010 4449 -186 5 242 O
ATOM 156 N CYS A 22 -31.930 0.553 19.793 1.00 43.34 N
ANISOU 156 N CYS A 22 3882 7893 4692 -45 -17 207 N
ATOM 157 CA CYS A 22 -33.070 0.420 20.674 1.00 45.12 C
ANISOU 157 CA CYS A 22 4064 8196 4882 -28 1 139 C
ATOM 158 CB CYS A 22 -32.701 -0.434 21.881 1.00 47.17 C
ANISOU 158 CB CYS A 22 4390 8449 5083 -68 32 47 C
ATOM 159 SG CYS A 22 -33.892 -0.362 23.223 1.00 56.91 S
ANISOU 159 SG CYS A 22 5557 9784 6280 -34 52 -44 S
ATOM 160 C CYS A 22 -33.431 1.845 21.059 1.00 46.21 C
ANISOU 160 C CYS A 22 4128 8275 5153 84 -26 126 C
ATOM 161 O CYS A 22 -32.631 2.541 21.682 1.00 46.52 O
ANISOU 161 O CYS A 22 4190 8193 5293 138 -38 81 O
ATOM 162 N GLY A 23 -34.577 2.311 20.584 1.00 46.90 N
ANISOU 162 N GLY A 23 4123 8442 5256 120 -41 169 N
ATOM 163 CA GLY A 23 -34.990 3.687 20.806 1.00 47.99 C
ANISOU 163 CA GLY A 23 4177 8515 5543 233 -75 162 C
ATOM 164 C GLY A 23 -34.061 4.634 20.070 1.00 49.06 C
ANISOU 164 C GLY A 23 4312 8509 5819 269 -120 256 C
ATOM 165 O GLY A 23 -33.821 4.470 18.873 1.00 49.08 O
ANISOU 165 O GLY A 23 4314 8543 5791 221 -135 380 O
ATOM 166 N THR A 24 -33.470 5.587 20.795 1.00 49.37 N
ANISOU 166 N THR A 24 4351 8401 6007 347 -143 195 N
ATOM 167 CA THR A 24 -32.516 6.525 20.203 1.00 49.58 C
ANISOU 167 CA THR A 24 4375 8277 6184 376 -192 287 C
ATOM 168 CB THR A 24 -32.695 7.927 20.804 1.00 51.85 C
ANISOU 168 CB THR A 24 4591 8426 6685 495 -237 233 C
ATOM 169 OG1 THR A 24 -32.392 7.901 22.202 1.00 53.06 O
ANISOU 169 OG1 THR A 24 4781 8536 6843 526 -214 54 O
ATOM 170 CG2 THR A 24 -34.090 8.497 20.581 1.00 52.89 C
ANISOU 170 CG2 THR A 24 4604 8618 6873 565 -259 254 C
ATOM 171 C THR A 24 -31.049 6.059 20.368 1.00 48.87 C
ANISOU 171 C THR A 24 4393 8112 6065 319 -178 274 C
ATOM 172 O THR A 24 -30.144 6.717 19.843 1.00 48.80 O
ANISOU 172 O THR A 24 4388 7990 6162 327 -215 360 O
ATOM 173 N THR A 25 -30.803 4.945 21.086 1.00 47.65 N
ANISOU 173 N THR A 25 4318 8017 5771 261 -128 178 N
ATOM 174 CA THR A 25 -29.445 4.461 21.294 1.00 46.74 C
ANISOU 174 CA THR A 25 4299 7833 5628 211 -114 162 C
ATOM 175 CB THR A 25 -29.282 3.896 22.704 1.00 48.04 C
ANISOU 175 CB THR A 25 4514 8008 5731 205 -78 17 C
ATOM 176 OG1 THR A 25 -29.582 4.931 23.638 1.00 49.36 O
ANISOU 176 OG1 THR A 25 4625 8112 6016 298 -97 -81 O
ATOM 177 CG2 THR A 25 -27.860 3.362 22.973 1.00 48.28 C
ANISOU 177 CG2 THR A 25 4641 7969 5735 156 -65 4 C
ATOM 178 C THR A 25 -29.026 3.450 20.262 1.00 45.33 C
ANISOU 178 C THR A 25 4167 7728 5326 119 -97 248 C
ATOM 179 O THR A 25 -29.752 2.498 19.991 1.00 44.95 O
ANISOU 179 O THR A 25 4120 7807 5151 64 -69 245 O
ATOM 180 N THR A 26 -27.829 3.649 19.709 1.00 44.35 N
ANISOU 180 N THR A 26 4079 7528 5244 100 -114 315 N
ATOM 181 CA THR A 26 -27.238 2.748 18.745 1.00 44.43 C
ANISOU 181 CA THR A 26 4129 7606 5145 20 -98 378 C
ATOM 182 CB THR A 26 -27.197 3.403 17.350 1.00 47.21 C
ANISOU 182 CB THR A 26 4412 7992 5534 19 -135 532 C
ATOM 183 OG1 THR A 26 -28.507 3.403 16.798 1.00 49.96 O
ANISOU 183 OG1 THR A 26 4685 8458 5840 21 -139 574 O
ATOM 184 CG2 THR A 26 -26.286 2.681 16.395 1.00 47.78 C
ANISOU 184 CG2 THR A 26 4518 8127 5509 -52 -123 586 C
ATOM 185 C THR A 26 -25.836 2.385 19.254 1.00 42.96 C
ANISOU 185 C THR A 26 4031 7331 4960 -3 -85 331 C
ATOM 186 O THR A 26 -25.068 3.258 19.667 1.00 44.22 O
ANISOU 186 O THR A 26 4195 7367 5238 40 -110 332 O
ATOM 187 N LEU A 27 -25.546 1.095 19.303 1.00 39.69 N
ANISOU 187 N LEU A 27 3682 6973 4425 -69 -48 284 N
ATOM 188 CA LEU A 27 -24.241 0.591 19.676 1.00 37.49 C
ANISOU 188 CA LEU A 27 3482 6627 4136 -96 -35 248 C
ATOM 189 CB LEU A 27 -24.054 0.434 21.194 1.00 36.99 C
ANISOU 189 CB LEU A 27 3465 6501 4089 -78 -19 141 C
ATOM 190 CG LEU A 27 -25.192 -0.180 21.982 1.00 36.39 C
ANISOU 190 CG LEU A 27 3379 6504 3944 -90 5 70 C
ATOM 191 CD1 LEU A 27 -25.407 -1.631 21.613 1.00 36.09 C
ANISOU 191 CD1 LEU A 27 3378 6548 3788 -170 31 66 C
ATOM 192 CD2 LEU A 27 -24.911 -0.086 23.448 1.00 35.91 C
ANISOU 192 CD2 LEU A 27 3343 6397 3903 -65 14 -22 C
ATOM 193 C LEU A 27 -23.924 -0.677 18.852 1.00 35.70 C
ANISOU 193 C LEU A 27 3291 6483 3791 -171 -12 256 C
ATOM 194 O LEU A 27 -24.648 -0.990 17.891 1.00 35.68 O
ANISOU 194 O LEU A 27 3244 6591 3723 -201 -11 296 O
ATOM 195 N ASN A 28 -22.844 -1.368 19.184 1.00 33.21 N
ANISOU 195 N ASN A 28 3045 6118 3456 -199 4 214 N
ATOM 196 CA ASN A 28 -22.415 -2.527 18.442 1.00 32.24 C
ANISOU 196 CA ASN A 28 2951 6053 3244 -259 22 202 C
ATOM 197 CB ASN A 28 -20.876 -2.509 18.299 1.00 32.29 C
ANISOU 197 CB ASN A 28 2998 5995 3277 -258 20 214 C
ATOM 198 CG ASN A 28 -20.375 -1.197 17.779 1.00 33.93 C
ANISOU 198 CG ASN A 28 3158 6173 3560 -219 -9 310 C
ATOM 199 OD1 ASN A 28 -20.441 -0.933 16.588 1.00 35.53 O
ANISOU 199 OD1 ASN A 28 3304 6461 3735 -232 -22 390 O
ATOM 200 ND2 ASN A 28 -19.892 -0.343 18.658 1.00 32.19 N
ANISOU 200 ND2 ASN A 28 2952 5837 3440 -176 -25 307 N
ATOM 201 C ASN A 28 -22.839 -3.798 19.136 1.00 31.61 C
ANISOU 201 C ASN A 28 2917 5988 3106 -304 46 119 C
ATOM 202 O ASN A 28 -22.922 -3.853 20.359 1.00 30.83 O
ANISOU 202 O ASN A 28 2847 5836 3031 -292 53 75 O
ATOM 203 N GLY A 29 -23.042 -4.825 18.332 1.00 31.58 N
ANISOU 203 N GLY A 29 2913 6058 3028 -359 55 100 N
ATOM 204 CA GLY A 29 -23.350 -6.162 18.795 1.00 31.24 C
ANISOU 204 CA GLY A 29 2908 6016 2945 -414 69 31 C
ATOM 205 C GLY A 29 -22.400 -7.164 18.162 1.00 31.50 C
ANISOU 205 C GLY A 29 2976 6036 2955 -451 74 -9 C
ATOM 206 O GLY A 29 -21.790 -6.905 17.116 1.00 30.79 O
ANISOU 206 O GLY A 29 2863 5989 2847 -443 71 12 O
ATOM 207 N LEU A 30 -22.263 -8.307 18.799 1.00 31.62 N
ANISOU 207 N LEU A 30 3039 5999 2977 -490 80 -65 N
ATOM 208 CA LEU A 30 -21.405 -9.380 18.338 1.00 32.02 C
ANISOU 208 CA LEU A 30 3121 6017 3028 -521 81 -121 C
ATOM 209 CB LEU A 30 -20.473 -9.801 19.493 1.00 31.77 C
ANISOU 209 CB LEU A 30 3153 5863 3055 -514 83 -133 C
ATOM 210 CG LEU A 30 -19.462 -10.884 19.177 1.00 32.33 C
ANISOU 210 CG LEU A 30 3258 5876 3152 -533 81 -190 C
ATOM 211 CD1 LEU A 30 -18.406 -10.390 18.157 1.00 32.30 C
ANISOU 211 CD1 LEU A 30 3237 5904 3131 -497 86 -193 C
ATOM 212 CD2 LEU A 30 -18.794 -11.375 20.444 1.00 32.38 C
ANISOU 212 CD2 LEU A 30 3316 5769 3217 -535 78 -184 C
ATOM 213 C LEU A 30 -22.347 -10.517 17.924 1.00 32.58 C
ANISOU 213 C LEU A 30 3175 6138 3066 -586 76 -176 C
ATOM 214 O LEU A 30 -23.005 -11.118 18.757 1.00 32.75 O
ANISOU 214 O LEU A 30 3211 6128 3104 -623 73 -182 O
ATOM 215 N TRP A 31 -22.436 -10.781 16.627 1.00 33.48 N
ANISOU 215 N TRP A 31 3248 6342 3130 -605 74 -213 N
ATOM 216 CA TRP A 31 -23.333 -11.775 16.039 1.00 34.32 C
ANISOU 216 CA TRP A 31 3327 6511 3203 -669 65 -278 C
ATOM 217 CB TRP A 31 -23.827 -11.245 14.680 1.00 35.02 C
ANISOU 217 CB TRP A 31 3338 6761 3205 -669 64 -269 C
ATOM 218 CG TRP A 31 -24.826 -12.099 13.957 1.00 35.91 C
ANISOU 218 CG TRP A 31 3407 6968 3268 -734 53 -337 C
ATOM 219 CD1 TRP A 31 -25.679 -13.012 14.500 1.00 37.00 C
ANISOU 219 CD1 TRP A 31 3558 7066 3435 -792 41 -376 C
ATOM 220 NE1 TRP A 31 -26.452 -13.580 13.511 1.00 37.43 N
ANISOU 220 NE1 TRP A 31 3556 7235 3432 -846 29 -441 N
ATOM 221 CE2 TRP A 31 -26.133 -13.001 12.310 1.00 37.75 C
ANISOU 221 CE2 TRP A 31 3540 7411 3392 -821 35 -442 C
ATOM 222 CD2 TRP A 31 -25.122 -12.051 12.559 1.00 36.66 C
ANISOU 222 CD2 TRP A 31 3426 7228 3273 -752 49 -368 C
ATOM 223 CE3 TRP A 31 -24.568 -11.353 11.469 1.00 37.59 C
ANISOU 223 CE3 TRP A 31 3489 7472 3321 -722 54 -339 C
ATOM 224 CZ3 TRP A 31 -25.065 -11.593 10.200 1.00 38.39 C
ANISOU 224 CZ3 TRP A 31 3508 7754 3323 -759 47 -385 C
ATOM 225 CH2 TRP A 31 -26.085 -12.523 9.985 1.00 38.92 C
ANISOU 225 CH2 TRP A 31 3553 7867 3368 -824 34 -472 C
ATOM 226 CZ2 TRP A 31 -26.644 -13.229 11.025 1.00 38.91 C
ANISOU 226 CZ2 TRP A 31 3609 7729 3447 -858 27 -499 C
ATOM 227 C TRP A 31 -22.578 -13.086 15.877 1.00 34.27 C
ANISOU 227 C TRP A 31 3353 6428 3241 -700 57 -377 C
ATOM 228 O TRP A 31 -21.681 -13.204 15.038 1.00 33.49 O
ANISOU 228 O TRP A 31 3244 6356 3126 -682 61 -429 O
ATOM 229 N LEU A 32 -22.908 -14.056 16.723 1.00 34.50 N
ANISOU 229 N LEU A 32 3415 6361 3331 -746 44 -399 N
ATOM 230 CA LEU A 32 -22.264 -15.371 16.717 1.00 34.80 C
ANISOU 230 CA LEU A 32 3483 6295 3445 -776 27 -486 C
ATOM 231 CB LEU A 32 -21.471 -15.588 18.013 1.00 34.14 C
ANISOU 231 CB LEU A 32 3460 6065 3446 -760 25 -438 C
ATOM 232 CG LEU A 32 -20.331 -14.604 18.265 1.00 33.88 C
ANISOU 232 CG LEU A 32 3452 6014 3405 -687 44 -391 C
ATOM 233 CD1 LEU A 32 -19.788 -14.754 19.670 1.00 33.47 C
ANISOU 233 CD1 LEU A 32 3450 5846 3420 -679 40 -334 C
ATOM 234 CD2 LEU A 32 -19.235 -14.787 17.249 1.00 33.39 C
ANISOU 234 CD2 LEU A 32 3383 5964 3341 -656 49 -466 C
ATOM 235 C LEU A 32 -23.373 -16.385 16.635 1.00 36.36 C
ANISOU 235 C LEU A 32 3657 6494 3662 -855 4 -532 C
ATOM 236 O LEU A 32 -24.294 -16.342 17.455 1.00 36.18 O
ANISOU 236 O LEU A 32 3634 6470 3642 -888 -1 -463 O
ATOM 237 N ASP A 33 -23.363 -17.243 15.595 1.00 37.51 N
ANISOU 237 N ASP A 33 3774 6664 3813 -887 -12 -654 N
ATOM 238 CA ASP A 33 -24.442 -18.209 15.359 1.00 39.34 C
ANISOU 238 CA ASP A 33 3976 6904 4069 -969 -41 -713 C
ATOM 239 CB ASP A 33 -24.454 -19.328 16.440 1.00 44.04 C
ANISOU 239 CB ASP A 33 4610 7322 4800 -1021 -73 -697 C
ATOM 240 CG ASP A 33 -23.140 -20.077 16.596 1.00 53.03 C
ANISOU 240 CG ASP A 33 5789 8308 6053 -994 -86 -758 C
ATOM 241 OD1 ASP A 33 -22.658 -20.660 15.586 1.00 54.60 O
ANISOU 241 OD1 ASP A 33 5965 8507 6273 -988 -97 -900 O
ATOM 242 OD2 ASP A 33 -22.598 -20.100 17.731 1.00 56.47 O
ANISOU 242 OD2 ASP A 33 6270 8632 6554 -979 -88 -669 O
ATOM 243 C ASP A 33 -25.783 -17.414 15.219 1.00 39.00 C
ANISOU 243 C ASP A 33 3884 7010 3922 -988 -30 -641 C
ATOM 244 O ASP A 33 -25.763 -16.403 14.513 1.00 39.08 O
ANISOU 244 O ASP A 33 3861 7150 3837 -943 -9 -617 O
ATOM 245 N ASP A 34 -26.859 -17.737 15.959 1.00 38.31 N
ANISOU 245 N ASP A 34 3791 6908 3857 -1047 -45 -586 N
ATOM 246 CA ASP A 34 -28.100 -16.964 15.861 1.00 38.63 C
ANISOU 246 CA ASP A 34 3782 7093 3803 -1057 -34 -520 C
ATOM 247 CB ASP A 34 -29.307 -17.889 15.639 1.00 40.97 C
ANISOU 247 CB ASP A 34 4035 7425 4107 -1153 -64 -560 C
ATOM 248 CG ASP A 34 -29.543 -18.892 16.761 1.00 47.20 C
ANISOU 248 CG ASP A 34 4852 8077 5003 -1221 -91 -525 C
ATOM 249 OD1 ASP A 34 -28.634 -19.074 17.601 1.00 46.56 O
ANISOU 249 OD1 ASP A 34 4826 7865 4999 -1195 -91 -490 O
ATOM 250 OD2 ASP A 34 -30.638 -19.507 16.789 1.00 51.52 O
ANISOU 250 OD2 ASP A 34 5361 8656 5558 -1303 -116 -524 O
ATOM 251 C ASP A 34 -28.312 -16.061 17.074 1.00 38.11 C
ANISOU 251 C ASP A 34 3734 7018 3727 -1018 -15 -394 C
ATOM 252 O ASP A 34 -29.453 -15.848 17.472 1.00 39.10 O
ANISOU 252 O ASP A 34 3824 7216 3817 -1046 -15 -339 O
ATOM 253 N VAL A 35 -27.226 -15.557 17.688 1.00 36.33 N
ANISOU 253 N VAL A 35 3558 6710 3534 -953 1 -358 N
ATOM 254 CA VAL A 35 -27.352 -14.689 18.860 1.00 34.77 C
ANISOU 254 CA VAL A 35 3373 6509 3328 -912 18 -262 C
ATOM 255 CB VAL A 35 -27.024 -15.421 20.199 1.00 35.11 C
ANISOU 255 CB VAL A 35 3459 6437 3446 -944 7 -224 C
ATOM 256 CG1 VAL A 35 -26.983 -14.442 21.379 1.00 34.67 C
ANISOU 256 CG1 VAL A 35 3408 6397 3367 -892 28 -146 C
ATOM 257 CG2 VAL A 35 -28.041 -16.527 20.490 1.00 36.09 C
ANISOU 257 CG2 VAL A 35 3556 6561 3597 -1042 -20 -216 C
ATOM 258 C VAL A 35 -26.505 -13.440 18.679 1.00 33.80 C
ANISOU 258 C VAL A 35 3262 6396 3183 -821 40 -236 C
ATOM 259 O VAL A 35 -25.370 -13.521 18.225 1.00 34.06 O
ANISOU 259 O VAL A 35 3324 6375 3240 -793 42 -273 O
ATOM 260 N VAL A 36 -27.060 -12.288 19.013 1.00 32.78 N
ANISOU 260 N VAL A 36 3104 6335 3016 -776 54 -175 N
ATOM 261 CA VAL A 36 -26.347 -11.024 19.012 1.00 32.34 C
ANISOU 261 CA VAL A 36 3054 6271 2963 -692 67 -139 C
ATOM 262 CB VAL A 36 -27.109 -9.931 18.240 1.00 32.62 C
ANISOU 262 CB VAL A 36 3023 6422 2948 -656 68 -99 C
ATOM 263 CG1 VAL A 36 -26.433 -8.573 18.419 1.00 33.11 C
ANISOU 263 CG1 VAL A 36 3087 6451 3043 -572 73 -49 C
ATOM 264 CG2 VAL A 36 -27.202 -10.292 16.754 1.00 32.95 C
ANISOU 264 CG2 VAL A 36 3028 6553 2940 -687 60 -132 C
ATOM 265 C VAL A 36 -26.123 -10.629 20.469 1.00 32.36 C
ANISOU 265 C VAL A 36 3085 6210 3000 -662 74 -103 C
ATOM 266 O VAL A 36 -27.080 -10.525 21.235 1.00 32.77 O
ANISOU 266 O VAL A 36 3108 6310 3032 -674 77 -80 O
ATOM 267 N TYR A 37 -24.858 -10.453 20.867 1.00 32.12 N
ANISOU 267 N TYR A 37 3103 6087 3013 -626 78 -104 N
ATOM 268 CA TYR A 37 -24.515 -10.074 22.232 1.00 32.10 C
ANISOU 268 CA TYR A 37 3123 6036 3037 -597 83 -81 C
ATOM 269 CB TYR A 37 -23.247 -10.829 22.682 1.00 32.23 C
ANISOU 269 CB TYR A 37 3200 5944 3103 -610 79 -92 C
ATOM 270 CG TYR A 37 -23.399 -12.333 22.694 1.00 33.23 C
ANISOU 270 CG TYR A 37 3342 6032 3252 -687 64 -109 C
ATOM 271 CD1 TYR A 37 -23.208 -13.080 21.543 1.00 33.73 C
ANISOU 271 CD1 TYR A 37 3408 6079 3328 -715 55 -162 C
ATOM 272 CE1 TYR A 37 -23.358 -14.455 21.543 1.00 34.84 C
ANISOU 272 CE1 TYR A 37 3559 6165 3515 -784 34 -189 C
ATOM 273 CZ TYR A 37 -23.716 -15.105 22.706 1.00 36.27 C
ANISOU 273 CZ TYR A 37 3743 6310 3727 -833 21 -138 C
ATOM 274 OH TYR A 37 -23.898 -16.468 22.701 1.00 37.67 O
ANISOU 274 OH TYR A 37 3923 6419 3971 -908 -9 -151 O
ATOM 275 CE2 TYR A 37 -23.910 -14.383 23.865 1.00 35.94 C
ANISOU 275 CE2 TYR A 37 3694 6310 3652 -810 34 -74 C
ATOM 276 CD2 TYR A 37 -23.751 -13.005 23.853 1.00 35.04 C
ANISOU 276 CD2 TYR A 37 3572 6248 3493 -734 56 -72 C
ATOM 277 C TYR A 37 -24.230 -8.597 22.219 1.00 32.23 C
ANISOU 277 C TYR A 37 3122 6057 3065 -517 89 -61 C
ATOM 278 O TYR A 37 -23.492 -8.147 21.350 1.00 32.61 O
ANISOU 278 O TYR A 37 3177 6085 3129 -487 86 -56 O
ATOM 279 N CYS A 38 -24.730 -7.848 23.199 1.00 31.33 N
ANISOU 279 N CYS A 38 2984 5969 2952 -482 93 -53 N
ATOM 280 CA CYS A 38 -24.424 -6.419 23.273 1.00 32.27 C
ANISOU 280 CA CYS A 38 3083 6067 3110 -403 91 -46 C
ATOM 281 CB CYS A 38 -25.298 -5.630 22.289 1.00 33.10 C
ANISOU 281 CB CYS A 38 3127 6240 3209 -375 83 -19 C
ATOM 282 SG CYS A 38 -27.011 -5.410 22.827 1.00 37.15 S
ANISOU 282 SG CYS A 38 3569 6864 3683 -372 88 -27 S
ATOM 283 C CYS A 38 -24.558 -5.912 24.727 1.00 32.51 C
ANISOU 283 C CYS A 38 3103 6101 3150 -370 96 -71 C
ATOM 284 O CYS A 38 -25.103 -6.633 25.561 1.00 33.04 O
ANISOU 284 O CYS A 38 3161 6219 3172 -413 103 -79 O
ATOM 285 N PRO A 39 -24.070 -4.703 25.082 1.00 32.34 N
ANISOU 285 N PRO A 39 3071 6034 3184 -300 88 -86 N
ATOM 286 CA PRO A 39 -24.247 -4.238 26.468 1.00 32.15 C
ANISOU 286 CA PRO A 39 3023 6033 3159 -268 93 -135 C
ATOM 287 CB PRO A 39 -23.510 -2.891 26.484 1.00 32.48 C
ANISOU 287 CB PRO A 39 3058 5991 3290 -192 76 -156 C
ATOM 288 CG PRO A 39 -22.525 -2.981 25.322 1.00 32.83 C
ANISOU 288 CG PRO A 39 3147 5958 3370 -204 66 -101 C
ATOM 289 CD PRO A 39 -23.318 -3.713 24.279 1.00 31.72 C
ANISOU 289 CD PRO A 39 2993 5884 3175 -250 72 -62 C
ATOM 290 C PRO A 39 -25.734 -4.060 26.758 1.00 32.58 C
ANISOU 290 C PRO A 39 3007 6202 3171 -260 100 -153 C
ATOM 291 O PRO A 39 -26.460 -3.568 25.890 1.00 32.87 O
ANISOU 291 O PRO A 39 3004 6263 3224 -237 93 -134 O
ATOM 292 N ARG A 40 -26.191 -4.463 27.950 1.00 32.28 N
ANISOU 292 N ARG A 40 2944 6247 3074 -282 113 -183 N
ATOM 293 CA ARG A 40 -27.605 -4.322 28.260 1.00 32.71 C
ANISOU 293 CA ARG A 40 2922 6429 3079 -275 122 -202 C
ATOM 294 CB ARG A 40 -28.024 -5.151 29.470 1.00 32.56 C
ANISOU 294 CB ARG A 40 2878 6523 2970 -331 137 -205 C
ATOM 295 CG ARG A 40 -27.386 -4.678 30.762 1.00 31.93 C
ANISOU 295 CG ARG A 40 2786 6461 2884 -295 141 -265 C
ATOM 296 CD ARG A 40 -27.823 -5.518 31.931 1.00 33.47 C
ANISOU 296 CD ARG A 40 2943 6798 2978 -358 154 -247 C
ATOM 297 NE ARG A 40 -27.260 -4.983 33.172 1.00 36.03 N
ANISOU 297 NE ARG A 40 3240 7170 3280 -320 158 -315 N
ATOM 298 CZ ARG A 40 -27.523 -5.457 34.387 1.00 36.25 C
ANISOU 298 CZ ARG A 40 3213 7351 3208 -361 169 -311 C
ATOM 299 NH1 ARG A 40 -28.344 -6.486 34.542 1.00 36.12 N
ANISOU 299 NH1 ARG A 40 3166 7443 3116 -444 174 -230 N
ATOM 300 NH2 ARG A 40 -26.999 -4.881 35.456 1.00 35.29 N
ANISOU 300 NH2 ARG A 40 3059 7288 3061 -321 171 -388 N
ATOM 301 C ARG A 40 -28.023 -2.858 28.381 1.00 34.57 C
ANISOU 301 C ARG A 40 3094 6668 3373 -176 114 -263 C
ATOM 302 O ARG A 40 -29.197 -2.563 28.157 1.00 34.75 O
ANISOU 302 O ARG A 40 3051 6773 3380 -155 116 -268 O
ATOM 303 N HIS A 41 -27.067 -1.927 28.626 1.00 35.71 N
ANISOU 303 N HIS A 41 3255 6711 3600 -114 100 -305 N
ATOM 304 CA HIS A 41 -27.432 -0.515 28.753 1.00 36.80 C
ANISOU 304 CA HIS A 41 3329 6828 3827 -16 83 -371 C
ATOM 305 CB HIS A 41 -26.302 0.359 29.321 1.00 36.76 C
ANISOU 305 CB HIS A 41 3341 6715 3910 38 65 -434 C
ATOM 306 CG HIS A 41 -25.112 0.536 28.425 1.00 38.11 C
ANISOU 306 CG HIS A 41 3579 6742 4161 30 45 -367 C
ATOM 307 ND1 HIS A 41 -25.186 1.286 27.267 1.00 39.90 N
ANISOU 307 ND1 HIS A 41 3788 6891 4480 64 19 -306 N
ATOM 308 CE1 HIS A 41 -23.963 1.284 26.758 1.00 40.35 C
ANISOU 308 CE1 HIS A 41 3903 6848 4580 45 7 -254 C
ATOM 309 NE2 HIS A 41 -23.118 0.599 27.528 1.00 40.50 N
ANISOU 309 NE2 HIS A 41 3977 6865 4545 6 22 -284 N
ATOM 310 CD2 HIS A 41 -23.833 0.140 28.608 1.00 39.04 C
ANISOU 310 CD2 HIS A 41 3765 6792 4276 -4 45 -351 C
ATOM 311 C HIS A 41 -28.009 0.090 27.470 1.00 37.37 C
ANISOU 311 C HIS A 41 3370 6863 3965 17 64 -313 C
ATOM 312 O HIS A 41 -28.448 1.239 27.508 1.00 37.79 O
ANISOU 312 O HIS A 41 3359 6892 4108 99 45 -356 O
ATOM 313 N VAL A 42 -28.042 -0.658 26.352 1.00 37.52 N
ANISOU 313 N VAL A 42 3424 6885 3947 -45 66 -221 N
ATOM 314 CA VAL A 42 -28.680 -0.170 25.134 1.00 38.80 C