REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 3.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL 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 : 10561 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) : 0.259 REMARK 3 FREE R VALUE : 0.321 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1087 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 : 3980 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 254 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 38.67 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) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 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 2R29 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-OCT-07. REMARK 100 THE RCSB ID CODE IS RCSB044334. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 29-OCT-05 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.4 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 23-ID-D REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97857 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL REMARK 200 DATA SCALING SOFTWARE : HKL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15759 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.2 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.12300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 9.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.90 REMARK 200 COMPLETENESS FOR SHELL (%) : 39.2 REMARK 200 DATA REDUNDANCY IN SHELL : 1.70 REMARK 200 R MERGE FOR SHELL (I) : 0.47000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 59.38 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.03 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 11-13% PEG 2000, PH 5.4, HANGING REMARK 280 DROP, TEMPERATURE 298K 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 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-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 84.06000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.33000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 84.06000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 29.33000 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 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, H, L 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 GLU L 127 REMARK 465 GLN L 128 REMARK 465 GLY L 156 REMARK 465 SER L 157 REMARK 465 GLU L 158 REMARK 465 LYS L 173 REMARK 465 ASP L 174 REMARK 465 SER L 175 REMARK 465 HIS L 201A REMARK 465 LYS L 201B REMARK 465 THR L 201C REMARK 465 SER L 201D REMARK 465 THR L 201E REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O TYR H 33 O ARG H 98 2.09 REMARK 500 O ASP H 73 O SER H 76 2.13 REMARK 500 NH2 ARG A 345 O HOH A 452 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLU A 343 N - CA - C ANGL. DEV. = -16.3 DEGREES REMARK 500 HIS A 346 N - CA - C ANGL. DEV. = 18.5 DEGREES REMARK 500 ILE A 352 O - C - N ANGL. DEV. = -9.8 DEGREES REMARK 500 LEU L 4 CA - CB - CG ANGL. DEV. = -16.9 DEGREES REMARK 500 PRO L 8 C - N - CA ANGL. DEV. = -14.6 DEGREES REMARK 500 PHE L 66 N - CA - C ANGL. DEV. = -17.7 DEGREES REMARK 500 PRO L 99 C - N - CA ANGL. DEV. = -15.8 DEGREES REMARK 500 ALA L 115 N - CA - C ANGL. DEV. = 18.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 TYR A 299 -98.56 -72.72 REMARK 500 LYS A 310 -142.06 -149.48 REMARK 500 ILE A 312 75.61 -110.53 REMARK 500 ALA A 313 160.13 -48.22 REMARK 500 ASP A 329 -78.49 -32.96 REMARK 500 CYS A 333 -167.56 -64.07 REMARK 500 GLU A 338 64.92 -153.07 REMARK 500 GLU A 343 -162.85 -101.85 REMARK 500 LEU A 348 95.18 -179.41 REMARK 500 VAL A 354 22.41 -68.85 REMARK 500 PRO A 356 159.92 -38.12 REMARK 500 PHE A 373 36.54 -63.59 REMARK 500 ASP A 375 121.25 -36.25 REMARK 500 VAL A 382 173.76 -46.76 REMARK 500 GLN H 3 150.85 158.78 REMARK 500 ALA H 9 104.79 177.97 REMARK 500 PHE H 27 143.09 -171.30 REMARK 500 HIS H 35 -159.71 -115.03 REMARK 500 TRP H 36 108.91 -161.04 REMARK 500 PRO H 41 -79.36 -7.27 REMARK 500 GLN H 43 81.50 -69.75 REMARK 500 LEU H 45 146.05 -19.84 REMARK 500 ALA H 54 -78.48 -65.63 REMARK 500 PRO H 62 -63.76 -14.85 REMARK 500 LYS H 63 14.52 -60.51 REMARK 500 LYS H 67 -80.75 -83.64 REMARK 500 ALA H 68 178.98 -58.22 REMARK 500 THR H 69 103.15 -177.48 REMARK 500 TYR H 80 -158.91 -95.13 REMARK 500 LEU H 81 95.75 -170.08 REMARK 500 SER H 88 -36.30 -38.06 REMARK 500 ASP H 90 45.88 -68.58 REMARK 500 ALA H 92 -174.79 -171.03 REMARK 500 ALA H 97 -164.68 -119.46 REMARK 500 ARG H 98 -64.46 -122.78 REMARK 500 ASP H 99 -164.87 -57.15 REMARK 500 GLN H 108 89.53 -51.37 REMARK 500 ALA H 131 78.01 -64.95 REMARK 500 PHE H 149 -78.84 -95.42 REMARK 500 SER H 161 -14.18 -146.82 REMARK 500 LEU H 162 -156.47 -126.55 REMARK 500 SER H 163 81.32 -64.72 REMARK 500 PRO H 170 157.50 -41.06 REMARK 500 SER H 175 -85.40 -112.56 REMARK 500 ASP H 176 17.15 -143.38 REMARK 500 TYR H 178 163.96 -41.37 REMARK 500 SER H 182 -166.47 -102.13 REMARK 500 SER H 183 126.22 171.36 REMARK 500 VAL H 186 -177.94 -64.56 REMARK 500 SER H 189 0.98 -67.79 REMARK 500 TRP H 191 -86.08 -102.04 REMARK 500 PRO H 192 -28.00 -36.99 REMARK 500 ILE H 213 53.75 -98.67 REMARK 500 SER L 10 118.68 -170.60 REMARK 500 SER L 14 -152.88 -73.32 REMARK 500 ARG L 18 100.74 -52.66 REMARK 500 ARG L 31 -94.86 -91.79 REMARK 500 TYR L 32 47.10 -77.91 REMARK 500 LEU L 51 -71.88 -86.22 REMARK 500 TYR L 53 -80.53 -83.67 REMARK 500 ALA L 55 -23.72 -27.43 REMARK 500 GLU L 59 173.94 -50.12 REMARK 500 SER L 60 -72.35 -38.86 REMARK 500 PHE L 66 108.66 -172.12 REMARK 500 SER L 71 -158.98 -107.33 REMARK 500 THR L 73 31.33 -160.44 REMARK 500 PHE L 75 -164.57 -129.50 REMARK 500 THR L 76 131.52 178.47 REMARK 500 ASN L 80 -72.86 -83.36 REMARK 500 PRO L 81 79.16 -61.46 REMARK 500 ALA L 84 22.24 -67.41 REMARK 500 ASP L 86 49.68 -78.87 REMARK 500 THR L 95 16.67 -140.27 REMARK 500 ASN L 96 -69.10 -91.32 REMARK 500 ASP L 98 -34.80 -23.78 REMARK 500 CYS L 138 59.92 -149.32 REMARK 500 ASN L 142 71.78 57.24 REMARK 500 TYR L 144 -73.54 -86.07 REMARK 500 LYS L 153 105.04 -59.23 REMARK 500 GLN L 160 -53.44 -121.61 REMARK 500 ASP L 169 -176.31 -52.83 REMARK 500 ARG L 192 21.93 -62.95 REMARK 500 ASN L 194 -39.40 -142.58 REMARK 500 PHE L 209 129.54 -177.79 REMARK 500 ARG L 211 -33.56 -27.63 REMARK 500 ASN L 212 -95.91 -67.80 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 TYR L 144 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH L 224 DISTANCE = 5.76 ANGSTROMS REMARK 525 HOH H 231 DISTANCE = 6.64 ANGSTROMS REMARK 525 HOH L 232 DISTANCE = 6.65 ANGSTROMS REMARK 525 HOH A 419 DISTANCE = 6.59 ANGSTROMS REMARK 525 HOH H 242 DISTANCE = 7.64 ANGSTROMS REMARK 525 HOH H 250 DISTANCE = 5.58 ANGSTROMS REMARK 525 HOH L 251 DISTANCE = 6.60 ANGSTROMS REMARK 525 HOH H 257 DISTANCE = 5.26 ANGSTROMS REMARK 525 HOH L 260 DISTANCE = 5.09 ANGSTROMS REMARK 525 HOH A 446 DISTANCE = 6.81 ANGSTROMS REMARK 525 HOH L 265 DISTANCE = 6.57 ANGSTROMS REMARK 525 HOH A 448 DISTANCE = 5.19 ANGSTROMS REMARK 525 HOH H 272 DISTANCE = 5.58 ANGSTROMS REMARK 525 HOH L 274 DISTANCE = 5.03 ANGSTROMS REMARK 525 HOH H 282 DISTANCE = 8.77 ANGSTROMS REMARK 525 HOH H 291 DISTANCE = 5.83 ANGSTROMS REMARK 525 HOH L 290 DISTANCE = 5.27 ANGSTROMS REMARK 525 HOH L 292 DISTANCE = 5.82 ANGSTROMS REMARK 525 HOH L 293 DISTANCE = 5.96 ANGSTROMS REMARK 525 HOH L 294 DISTANCE = 5.52 ANGSTROMS REMARK 525 HOH H 304 DISTANCE = 5.19 ANGSTROMS REMARK 525 HOH L 305 DISTANCE = 8.65 ANGSTROMS