REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.QUILEZ,S.DE LAUZON,B.DESFOSSES,D.MANSUY,J.P.MAHY REMARK 1 TITL ARTIFICIAL PEROXIDASE-LIKE HEMOPROTEINS BASED ON ANTIBODIES REMARK 1 TITL 2 CONSTRUCTED FROM A SPECIFICALLY DESIGNED ORTHO-CARBOXY REMARK 1 TITL 3 SUBSTITUTED TETRAARYLPORPHYRIN HAPTEN AND EXHIBITING A HIGH REMARK 1 TITL 4 AFFINITY FOR IRON-PORPHYRINS. REMARK 1 REF FEBS LETT. V. 395 73 1996 REMARK 1 REFN ISSN 0014-5793 REMARK 1 PMID 8849692 REMARK 1 REMARK 1 REFERENCE 2 REMARK 1 AUTH S.DE LAUZON,B.DESFOSSES,D.MANSUY,J.P.MAHY REMARK 1 TITL STUDIES OF THE REACTIVITY OF ARTIFICIAL PEROXIDASE-LIKE REMARK 1 TITL 2 HEMOPROTEINS BASED ON ANTIBODIES ELICITED AGAINST A REMARK 1 TITL 3 SPECIFICALLY DESIGNED ORTHO-CARBOXY SUBSTITUTED REMARK 1 TITL 4 TETRAARYLPORPHYRIN. REMARK 1 REF FEBS LETT. V. 443 229 1999 REMARK 1 REFN ISSN 0014-5793 REMARK 1 PMID 9989611 REMARK 2 REMARK 2 RESOLUTION. 2.55 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : TWIN_LSQ_F REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.549 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 16.652 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.38 REMARK 3 COMPLETENESS FOR RANGE (%) : 93.45 REMARK 3 NUMBER OF REFLECTIONS : 111576 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.2813 REMARK 3 R VALUE (WORKING SET) : 0.2791 REMARK 3 FREE R VALUE : 0.3281 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.7 REMARK 3 FREE R VALUE TEST SET COUNT : 5292 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 8.1269 - 5.9600 0.93 5375 248 0.2937 0.3637 REMARK 3 2 5.9600 - 5.0899 0.94 5285 254 0.2515 0.3492 REMARK 3 3 5.0899 - 4.5748 0.93 5343 251 0.2330 0.3021 REMARK 3 4 4.5748 - 4.2202 0.93 5328 260 0.2283 0.2973 REMARK 3 5 4.2202 - 3.9550 0.94 5299 260 0.2374 0.2982 REMARK 3 6 3.9550 - 3.7459 0.93 5255 261 0.2481 0.3086 REMARK 3 7 3.7459 - 3.5750 0.93 5300 253 0.2582 0.3458 REMARK 3 8 3.5750 - 3.4316 0.92 5227 253 0.2723 0.3117 REMARK 3 9 3.4316 - 3.3088 0.91 5126 254 0.2766 0.3058 REMARK 3 10 3.3088 - 3.2018 0.91 5223 260 0.2805 0.2929 REMARK 3 11 3.2018 - 3.1074 0.89 5022 250 0.2892 0.3550 REMARK 3 12 3.1074 - 3.0233 0.90 5091 256 0.2893 0.3800 REMARK 3 13 3.0233 - 2.9476 0.89 5010 252 0.2940 0.3177 REMARK 3 14 2.9476 - 2.8790 0.88 5038 249 0.2954 0.3262 REMARK 3 15 2.8790 - 2.8163 0.87 4887 251 0.3032 0.3647 REMARK 3 16 2.8163 - 2.7587 0.87 4950 248 0.3025 0.3733 REMARK 3 17 2.7587 - 2.7056 0.85 4816 241 0.3184 0.3753 REMARK 3 18 2.7056 - 2.6564 0.85 4789 233 0.3193 0.3645 REMARK 3 19 2.6564 - 2.6105 0.85 4863 240 0.3076 0.3456 REMARK 3 20 2.6105 - 2.5677 0.84 4671 235 0.3157 0.3431 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.00 REMARK 3 SHRINKAGE RADIUS : 0.73 REMARK 3 K_SOL : 0.487 REMARK 3 B_SOL : 70.775 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : NULL REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 40.46 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 45.5 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 46.5 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -8.7717 REMARK 3 B22 (A**2) : -0.4619 REMARK 3 B33 (A**2) : 9.2336 REMARK 3 B12 (A**2) : 0.0000 REMARK 3 B13 (A**2) : 1.9074 REMARK 3 B23 (A**2) : 0.0000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: 0.499 REMARK 3 OPERATOR: H,-K,-L REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.003 25526 REMARK 3 ANGLE : 0.747 34932 REMARK 3 CHIRALITY : 0.050 4115 REMARK 3 PLANARITY : 0.005 4433 REMARK 3 DIHEDRAL : 10.903 8803 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: ALL REMARK 3 ORIGIN FOR THE GROUP (A): 39.2178 224.0761 109.6263 REMARK 3 T TENSOR REMARK 3 T11: 0.2550 T22: 0.3288 REMARK 3 T33: 0.2505 T12: 0.0355 REMARK 3 T13: -0.0345 T23: -0.0015 REMARK 3 L TENSOR REMARK 3 L11: 0.0089 L22: 0.0239 REMARK 3 L33: -0.0140 L12: 0.0181 REMARK 3 L13: -0.0001 L23: -0.0168 REMARK 3 S TENSOR REMARK 3 S11: -0.0237 S12: 0.0029 S13: 0.0162 REMARK 3 S21: 0.0188 S22: 0.0451 S23: 0.0329 REMARK 3 S31: -0.0079 S32: 0.0003 S33: -0.0172 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: RESIDUES H1-H6, A1-A5, C1-C8, E1-E8, REMARK 3 G1-G5, J1-J5, M1-M7, O1-O7, G23-G29, J24-J28, M23-M29, O23-28 REMARK 3 THAT ARE DISORDERED WERE NOT MODELED. REMARK 4 REMARK 4 4AT6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 30-APR-12. REMARK 100 THE PDBE ID CODE IS EBI-52315. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-MAY-98 REMARK 200 TEMPERATURE (KELVIN) : 277 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SOLEIL REMARK 200 BEAMLINE : DW32 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 112207 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.55 REMARK 200 RESOLUTION RANGE LOW (A) : 20.00 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.0 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.7 REMARK 200 DATA REDUNDANCY : 1.19 REMARK 200 R MERGE (I) : 0.11 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.36 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.55 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.64 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.8 REMARK 200 DATA REDUNDANCY IN SHELL : 1.17 REMARK 200 R MERGE FOR SHELL (I) : 0.51 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.09 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRIES 1MFA AND 1MF REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.7 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.35 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG 4000, 0.1 M AMMONIUM ACETATE, REMARK 280 0.1 M SODIUM CACODYLATE PH 6.5 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 114.08000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5, 6, 7, 8 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3680 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19890 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.7 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3700 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19990 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -24.8 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3590 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 20140 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.2 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3530 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19740 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -27.2 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 5 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3660 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 20020 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.8 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 350 REMARK 350 BIOMOLECULE: 6 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3530 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19650 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.7 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: J, K REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 7 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3510 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19690 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.4 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: M, N REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 8 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3490 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19830 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.5 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: O, P 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 GLN A 1 REMARK 465 VAL A 2 REMARK 465 GLN A 3 REMARK 465 LEU A 4 REMARK 465 GLN A 5 REMARK 465 GLN C 1 REMARK 465 VAL C 2 REMARK 465 GLN C 3 REMARK 465 LEU C 4 REMARK 465 GLN C 5 REMARK 465 GLN C 6 REMARK 465 PRO C 7 REMARK 465 GLY C 8 REMARK 465 GLN E 1 REMARK 465 VAL E 2 REMARK 465 GLN E 3 REMARK 465 LEU E 4 REMARK 465 GLN E 5 REMARK 465 GLN E 6 REMARK 465 PRO E 7 REMARK 465 GLY E 8 REMARK 465 GLN G 1 REMARK 465 VAL G 2 REMARK 465 GLN G 3 REMARK 465 LEU G 4 REMARK 465 GLN G 5 REMARK 465 THR G 23 REMARK 465 ALA G 24 REMARK 465 SER G 25 REMARK 465 GLY G 26 REMARK 465 TYR G 27 REMARK 465 SER G 28 REMARK 465 PHE G 29 REMARK 465 GLN H 1 REMARK 465 VAL H 2 REMARK 465 GLN H 3 REMARK 465 LEU H 4 REMARK 465 GLN H 5 REMARK 465 GLN H 6 REMARK 465 GLN J 1 REMARK 465 VAL J 2 REMARK 465 GLN J 3 REMARK 465 LEU J 4 REMARK 465 GLN J 5 REMARK 465 ALA J 24 REMARK 465 SER J 25 REMARK 465 GLY J 26 REMARK 465 TYR J 27 REMARK 465 SER J 28 REMARK 465 GLN M 1 REMARK 465 VAL M 2 REMARK 465 GLN M 3 REMARK 465 LEU M 4 REMARK 465 GLN M 5 REMARK 465 GLN M 6 REMARK 465 PRO M 7 REMARK 465 THR M 23 REMARK 465 ALA M 24 REMARK 465 SER M 25 REMARK 465 GLY M 26 REMARK 465 TYR M 27 REMARK 465 SER M 28 REMARK 465 PHE M 29 REMARK 465 GLN O 1 REMARK 465 VAL O 2 REMARK 465 GLN O 3 REMARK 465 LEU O 4 REMARK 465 GLN O 5 REMARK 465 GLN O 6 REMARK 465 PRO O 7 REMARK 465 THR O 23 REMARK 465 ALA O 24 REMARK 465 SER O 25 REMARK 465 GLY O 26 REMARK 465 TYR O 27 REMARK 465 SER O 28 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLN A 6 CG CD OE1 NE2 REMARK 470 THR A 23 OG1 CG2 REMARK 470 LYS A 74 CG CD CE NZ REMARK 470 SER A 75 OG REMARK 470 SER A 118 OG REMARK 470 SER A 133 OG REMARK 470 LYS A 214 CG CD CE NZ REMARK 470 SER C 75 OG REMARK 470 SER C 77 OG REMARK 470 SER C 102 OG REMARK 470 SER C 118 OG REMARK 470 ASN C 138 CG OD1 ND2 REMARK 470 MET C 140 CG SD CE REMARK 470 LYS C 214 CG CD CE NZ REMARK 470 THR D 26 OG1 CG2 REMARK 470 SER E 25 OG REMARK 470 TYR E 27 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 SER E 118 OG REMARK 470 SER E 133 OG REMARK 470 ASN E 138 CG OD1 ND2 REMARK 470 MET E 140 CG SD CE REMARK 470 LYS E 214 CG CD CE NZ REMARK 470 GLN G 6 CG CD OE1 NE2 REMARK 470 LYS G 74 CG CD CE NZ REMARK 470 SER G 75 OG REMARK 470 SER G 77 OG REMARK 470 SER G 118 OG REMARK 470 ASN G 138 CB CG OD1 ND2 REMARK 470 MET G 140 CG SD CE REMARK 470 SER G 163 OG REMARK 470 LYS G 214 CG CD CE NZ REMARK 470 ILE G 215 CG1 CG2 CD1 REMARK 470 VAL G 216 CG1 CG2 REMARK 470 SER H 25 OG REMARK 470 LYS H 74 CG CD CE NZ REMARK 470 SER H 75 OG REMARK 470 SER H 76 OG REMARK 470 SER H 77 OG REMARK 470 SER H 133 OG REMARK 470 GLN J 6 CG CD OE1 NE2 REMARK 470 THR J 13 OG1 CG2 REMARK 470 THR J 23 OG1 CG2 REMARK 470 PHE J 29 CG CD1 CD2 CE1 CE2 CZ REMARK 470 THR J 78 OG1 CG2 REMARK 470 VAL J 93 CG1 CG2 REMARK 470 SER J 102 OG REMARK 470 SER J 118 OG REMARK 470 SER J 133 OG REMARK 470 ASN J 138 CG OD1 ND2 REMARK 470 SER J 161 OG REMARK 470 SER J 163 OG REMARK 470 THR J 197 OG1 CG2 REMARK 470 LYS J 214 CG CD CE NZ REMARK 470 SER L 25 OG REMARK 470 LYS L 152 CG CD CE NZ REMARK 470 SER M 21 OG REMARK 470 LYS M 74 CG CD CE NZ REMARK 470 SER M 75 OG REMARK 470 SER M 77 OG REMARK 470 SER M 102 OG REMARK 470 SER M 118 OG REMARK 470 MET M 140 CG SD CE REMARK 470 ARG M 218 CG CD NE CZ NH1 NH2 REMARK 470 LEU O 11 CG CD1 CD2 REMARK 470 SER O 21 OG REMARK 470 PHE O 29 CG CD1 CD2 CE1 CE2 CZ REMARK 470 GLN O 43 CG CD OE1 NE2 REMARK 470 LYS O 74 CG CD CE NZ REMARK 470 SER O 76 OG REMARK 470 SER O 77 OG REMARK 470 LEU O 113 CG CD1 CD2 REMARK 470 MET O 140 CG SD CE REMARK 470 ARG O 218 CG CD NE CZ NH1 NH2