USER MOD reduce.3.24.130724 H: found=0, std=0, add=1063, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1048 hydrogens (8 hets) HEADER PEPTIDE BINDING PROTEIN 06-JAN-16 5HF4 TITLE THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 (H372A MUTANT) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DISKS LARGE HOMOLOG 4; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDZ-3 DOMAIN (UNP RESIDUES 302-402); COMPND 5 SYNONYM: POSTSYNAPTIC DENSITY PROTEIN 95,PSD-95,SYNAPSE-ASSOCIATED COMPND 6 PROTEIN 90,SAP90; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 GENE: DLG4, DLGH4, PSD95; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-1 KEYWDS PDZ, GLGF, DHR, ADHESION, SYNAPSE, SYNAPTIC DENSITY, PEPTIDE-BINDING KEYWDS 2 DOMAIN, PEPTIDE BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR K.I.WHITE,A.S.RAMAN,R.RANGANATHAN REVDAT 1 11-JAN-17 5HF4 0 JRNL AUTH K.I.WHITE,A.S.RAMAN,R.RANGANATHAN JRNL TITL THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 (H372A JRNL TITL 2 MUTANT) JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX DEV_2026 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT 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 : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.92 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.470 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 3 NUMBER OF REFLECTIONS : 12757 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.186 REMARK 3 R VALUE (WORKING SET) : 0.182 REMARK 3 FREE R VALUE : 0.221 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.030 REMARK 3 FREE R VALUE TEST SET COUNT : 1279 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 39.9260 - 3.6395 1.00 1412 157 0.1638 0.1808 REMARK 3 2 3.6395 - 2.8890 1.00 1310 147 0.1713 0.2058 REMARK 3 3 2.8890 - 2.5239 1.00 1278 141 0.1860 0.2297 REMARK 3 4 2.5239 - 2.2932 1.00 1269 141 0.1847 0.2431 REMARK 3 5 2.2932 - 2.1288 1.00 1264 140 0.1770 0.2416 REMARK 3 6 2.1288 - 2.0033 1.00 1242 139 0.1927 0.2068 REMARK 3 7 2.0033 - 1.9030 1.00 1259 139 0.2045 0.2847 REMARK 3 8 1.9030 - 1.8201 1.00 1238 138 0.2265 0.2911 REMARK 3 9 1.8201 - 1.7501 0.97 1206 137 0.2576 0.2870 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.180 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.060 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 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.005 1071 REMARK 3 ANGLE : 0.928 1459 REMARK 3 CHIRALITY : 0.047 155 REMARK 3 PLANARITY : 0.004 206 REMARK 3 DIHEDRAL : 13.841 420 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 4 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: (CHAIN A AND RESID 298:304) REMARK 3 ORIGIN FOR THE GROUP (A): 60.3951 66.3300 47.7709 REMARK 3 T TENSOR REMARK 3 T11: 0.5107 T22: 0.5918 REMARK 3 T33: 0.7834 T12: -0.0840 REMARK 3 T13: 0.0843 T23: -0.1016 REMARK 3 L TENSOR REMARK 3 L11: 6.4644 L22: 6.3937 REMARK 3 L33: 6.2814 L12: 0.8377 REMARK 3 L13: 2.8961 L23: 1.7636 REMARK 3 S TENSOR REMARK 3 S11: 0.1981 S12: -0.7613 S13: -0.5778 REMARK 3 S21: 0.8089 S22: 0.0297 S23: -0.2990 REMARK 3 S31: 0.0289 S32: 0.4890 S33: -0.1884 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: (CHAIN A AND RESID 305:321) REMARK 3 ORIGIN FOR THE GROUP (A): 40.4423 67.2517 34.7661 REMARK 3 T TENSOR REMARK 3 T11: 0.1502 T22: 0.1263 REMARK 3 T33: 0.1900 T12: -0.0513 REMARK 3 T13: -0.0014 T23: 0.0613 REMARK 3 L TENSOR REMARK 3 L11: 2.9052 L22: 4.2966 REMARK 3 L33: 5.1059 L12: -0.5118 REMARK 3 L13: 0.0514 L23: -1.3380 REMARK 3 S TENSOR REMARK 3 S11: -0.3113 S12: 0.0873 S13: 0.2559 REMARK 3 S21: 0.3679 S22: 0.0220 S23: 0.3240 REMARK 3 S31: -0.7478 S32: 0.2191 S33: -0.0802 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: (CHAIN A AND RESID 322:352) REMARK 3 ORIGIN FOR THE GROUP (A): 42.0755 60.8776 28.7387 REMARK 3 T TENSOR REMARK 3 T11: 0.0724 T22: 0.0981 REMARK 3 T33: 0.1971 T12: -0.0308 REMARK 3 T13: -0.0294 T23: 0.0265 REMARK 3 L TENSOR REMARK 3 L11: 3.0481 L22: 3.3091 REMARK 3 L33: 3.4282 L12: 0.7436 REMARK 3 L13: -0.5601 L23: 0.0988 REMARK 3 S TENSOR REMARK 3 S11: -0.0600 S12: 0.0623 S13: -0.1337 REMARK 3 S21: -0.2136 S22: -0.0612 S23: 0.5274 REMARK 3 S31: 0.0643 S32: -0.1111 S33: -0.0865 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: (CHAIN A AND RESID 353:415) REMARK 3 ORIGIN FOR THE GROUP (A): 41.0833 57.2411 33.5911 REMARK 3 T TENSOR REMARK 3 T11: 0.0812 T22: 0.1052 REMARK 3 T33: 0.1966 T12: -0.0315 REMARK 3 T13: 0.0229 T23: 0.0664 REMARK 3 L TENSOR REMARK 3 L11: 1.4935 L22: 3.4125 REMARK 3 L33: 2.6130 L12: -0.3057 REMARK 3 L13: -0.9821 L23: 0.8031 REMARK 3 S TENSOR REMARK 3 S11: -0.2236 S12: 0.0226 S13: -0.0455 REMARK 3 S21: 0.2279 S22: 0.2247 S23: 0.5587 REMARK 3 S31: 0.2055 S32: -0.1321 S33: 0.0583 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5HF4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-JAN-16. REMARK 100 THE DEPOSITION ID IS D_1000216943. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-MAR-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9792062 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12757 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.750 REMARK 200 RESOLUTION RANGE LOW (A) : 39.916 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 200 DATA REDUNDANCY : 11.40 REMARK 200 R MERGE (I) : 0.04500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 48.9170 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.82 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : 11.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.286 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: 1BFE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.39 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.34 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: RESERVOIR SOLUTION CONTAINED 0.95 M REMARK 280 SODIUM CITRATE, PH 7.0. EQUAL AMOUNTS (1.5 MICROLITERS) OF REMARK 280 PROTEIN (9 MG/ML) AND RESERVOIR SOLUTION WERE MIXED AND REMARK 280 EQUILLIBRATED AGAINST 500 MICROLITERS OF CRYSTALLIZATION BUFFER., REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z+1/2,-X+1/2,-Y REMARK 290 7555 -Z+1/2,-X,Y+1/2 REMARK 290 8555 -Z,X+1/2,-Y+1/2 REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z+1/2,-X+1/2 REMARK 290 11555 Y+1/2,-Z+1/2,-X REMARK 290 12555 -Y+1/2,-Z,X+1/2 REMARK 290 13555 Y+3/4,X+1/4,-Z+1/4 REMARK 290 14555 -Y+3/4,-X+3/4,-Z+3/4 REMARK 290 15555 Y+1/4,-X+1/4,Z+3/4 REMARK 290 16555 -Y+1/4,X+3/4,Z+1/4 REMARK 290 17555 X+3/4,Z+1/4,-Y+1/4 REMARK 290 18555 -X+1/4,Z+3/4,Y+1/4 REMARK 290 19555 -X+3/4,-Z+3/4,-Y+3/4 REMARK 290 20555 X+1/4,-Z+1/4,Y+3/4 REMARK 290 21555 Z+3/4,Y+1/4,-X+1/4 REMARK 290 22555 Z+1/4,-Y+1/4,X+3/4 REMARK 290 23555 -Z+1/4,Y+3/4,X+1/4 REMARK 290 24555 -Z+3/4,-Y+3/4,-X+3/4 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 44.62700 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 44.62700 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.62700 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 44.62700 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 44.62700 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.62700 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 44.62700 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 44.62700 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 44.62700 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 44.62700 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 44.62700 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 44.62700 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 44.62700 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 44.62700 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 44.62700 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 44.62700 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 44.62700 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 44.62700 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 66.94050 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 22.31350 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 22.31350 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 66.94050 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 66.94050 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 66.94050 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 22.31350 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 22.31350 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 66.94050 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 22.31350 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 66.94050 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 22.31350 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 66.94050 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 22.31350 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 22.31350 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 22.31350 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 66.94050 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 22.31350 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 66.94050 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 66.94050 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 66.94050 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 22.31350 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 22.31350 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 66.94050 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 66.94050 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 22.31350 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 22.31350 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 22.31350 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 22.31350 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 66.94050 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 22.31350 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 66.94050 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 22.31350 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 66.94050 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 66.94050 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 66.94050 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: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 615 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 683 LIES ON A SPECIAL POSITION. 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 297 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 HH22 ARG A 318 O LEU A 379 1.55 REMARK 500 O HOH A 710 O HOH A 711 1.97 REMARK 500 O HOH A 651 O HOH A 681 2.06 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 652 O HOH A 652 22564 2.16 REMARK 500 O HOH A 629 O HOH A 671 22564 2.16 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 SER A 320 -136.99 -95.73 REMARK 500 THR A 321 -14.92 -143.69 REMARK 500 THR A 321 -55.64 63.25 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 A 711 DISTANCE = 6.94 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 501 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BFE RELATED DB: PDB REMARK 900 RELATED ID: 5HDY RELATED DB: PDB REMARK 900 RELATED ID: 5HEB RELATED DB: PDB REMARK 900 RELATED ID: 5HED RELATED DB: PDB REMARK 900 RELATED ID: 5HET RELATED DB: PDB REMARK 900 RELATED ID: 5HEY RELATED DB: PDB REMARK 900 RELATED ID: 5HF1 RELATED DB: PDB REMARK 900 RELATED ID: 5HFB RELATED DB: PDB REMARK 900 RELATED ID: 5HFC RELATED DB: PDB REMARK 900 RELATED ID: 5FHD RELATED DB: PDB REMARK 900 RELATED ID: 5HFE RELATED DB: PDB REMARK 900 RELATED ID: 5HFF RELATED DB: PDB DBREF 5HF4 A 302 402 UNP P31016 DLG4_RAT 302 402 SEQADV 5HF4 GLY A 297 UNP P31016 EXPRESSION TAG SEQADV 5HF4 SER A 298 UNP P31016 EXPRESSION TAG SEQADV 5HF4 PRO A 299 UNP P31016 EXPRESSION TAG SEQADV 5HF4 GLU A 300 UNP P31016 EXPRESSION TAG SEQADV 5HF4 PHE A 301 UNP P31016 EXPRESSION TAG SEQADV 5HF4 ALA A 372 UNP P31016 HIS 372 ENGINEERED MUTATION SEQADV 5HF4 ASN A 403 UNP P31016 EXPRESSION TAG SEQADV 5HF4 SER A 404 UNP P31016 EXPRESSION TAG SEQADV 5HF4 ARG A 405 UNP P31016 EXPRESSION TAG SEQADV 5HF4 VAL A 406 UNP P31016 EXPRESSION TAG SEQADV 5HF4 ASP A 407 UNP P31016 EXPRESSION TAG SEQADV 5HF4 SER A 408 UNP P31016 EXPRESSION TAG SEQADV 5HF4 SER A 409 UNP P31016 EXPRESSION TAG SEQADV 5HF4 GLY A 410 UNP P31016 EXPRESSION TAG SEQADV 5HF4 ARG A 411 UNP P31016 EXPRESSION TAG SEQADV 5HF4 ILE A 412 UNP P31016 EXPRESSION TAG SEQADV 5HF4 VAL A 413 UNP P31016 EXPRESSION TAG SEQADV 5HF4 THR A 414 UNP P31016 EXPRESSION TAG SEQADV 5HF4 ASP A 415 UNP P31016 EXPRESSION TAG SEQRES 1 A 119 GLY SER PRO GLU PHE LEU GLY GLU GLU ASP ILE PRO ARG SEQRES 2 A 119 GLU PRO ARG ARG ILE VAL ILE HIS ARG GLY SER THR GLY SEQRES 3 A 119 LEU GLY PHE ASN ILE VAL GLY GLY GLU ASP GLY GLU GLY SEQRES 4 A 119 ILE PHE ILE SER PHE ILE LEU ALA GLY GLY PRO ALA ASP SEQRES 5 A 119 LEU SER GLY GLU LEU ARG LYS GLY ASP GLN ILE LEU SER SEQRES 6 A 119 VAL ASN GLY VAL ASP LEU ARG ASN ALA SER ALA GLU GLN SEQRES 7 A 119 ALA ALA ILE ALA LEU LYS ASN ALA GLY GLN THR VAL THR SEQRES 8 A 119 ILE ILE ALA GLN TYR LYS PRO GLU GLU TYR SER ARG PHE SEQRES 9 A 119 GLU ALA ASN SER ARG VAL ASP SER SER GLY ARG ILE VAL SEQRES 10 A 119 THR ASP HET GOL A 501 14 HETNAM GOL GLYCEROL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 2 GOL C3 H8 O3 FORMUL 3 HOH *111(H2 O) HELIX 1 AA1 PHE A 301 GLU A 305 5 5 HELIX 2 AA2 GLY A 345 GLY A 351 1 7 HELIX 3 AA3 SER A 371 ASN A 381 1 11 HELIX 4 AA4 LYS A 393 ARG A 399 1 7 SHEET 1 AA1 4 ARG A 312 HIS A 317 0 SHEET 2 AA1 4 THR A 385 TYR A 392 -1 O ILE A 388 N ILE A 314 SHEET 3 AA1 4 ASP A 357 VAL A 362 -1 N GLN A 358 O GLN A 391 SHEET 4 AA1 4 VAL A 365 ASP A 366 -1 O VAL A 365 N VAL A 362 SHEET 1 AA2 2 PHE A 325 GLY A 329 0 SHEET 2 AA2 2 ILE A 336 ILE A 341 -1 O PHE A 337 N VAL A 328 SHEET 1 AA3 2 SER A 404 VAL A 406 0 SHEET 2 AA3 2 ILE A 412 THR A 414 -1 O VAL A 413 N ARG A 405 SITE *** AC1 5 LEU A 323 PHE A 325 HOH A 605 HOH A 636 SITE *** AC1 5 HOH A 644 CRYST1 89.254 89.254 89.254 90.00 90.00 90.00 P 41 3 2 24 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 0.011204 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011204 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011204 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 404 SER OG B: rot -78:sc= -0.208 USER MOD Set 1.2: A 414 THR OG1 : rot 180:sc= 0.33 USER MOD Set 2.1: A 355 LYS NZ B:NH3+ -172:sc= 1.24 (180deg=1.16) USER MOD Set 2.2: A 397 TYR OH : rot -155:sc= -0.255 USER MOD Set 3.1: A 358 GLN : amide:sc= 0.616 K(o=1.7,f=-17!) USER MOD Set 3.2: A 393 LYS NZ :NH3+ -166:sc= 1.08 (180deg=0) USER MOD Single : A 298 SER OG : rot 34:sc= 0.0276 USER MOD Single : A 317 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 320 SER OG A: rot 180:sc= 0.0027 USER MOD Single : A 320 SER OG B: rot 180:sc= -1.26 USER MOD Single : A 321 THR OG1A: rot 180:sc= 0 USER MOD Single : A 321 THR OG1B: rot -58:sc= -0.984! USER MOD Single : A 326 ASN A: amide:sc= 1.16 K(o=1.2,f=0.24) USER MOD Single : A 326 ASN B: amide:sc= 0.57 X(o=0.57,f=0.15) USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG A: rot -69:sc= 1.28 USER MOD Single : A 350 SER OG B: rot 130:sc= 0 USER MOD Single : A 355 LYS NZ A:NH3+ -139:sc= 0.315 (180deg=-0.00868) USER MOD Single : A 361 SER OG : rot -114:sc= 2.36 USER MOD Single : A 363 ASN : amide:sc= 1.17 K(o=1.2,f=-4.8!) USER MOD Single : A 369 ASN : amide:sc= 1.06 K(o=1.1,f=-0.67) USER MOD Single : A 371 SER OG : rot -164:sc= 1.35 USER MOD Single : A 374 GLN : amide:sc= -0.0294 K(o=-0.029,f=-1.3!) USER MOD Single : A 380 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 380 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= -0.0046 K(o=-0.0046,f=-1) USER MOD Single : A 384 GLN A: amide:sc= -0.061 X(o=-0.061,f=-0.15) USER MOD Single : A 384 GLN B: amide:sc= -0.599 K(o=-0.6,f=-9.8!) USER MOD Single : A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 THR OG1 : rot 79:sc= 1.34 USER MOD Single : A 391 GLN : amide:sc= 0.51 K(o=0.51,f=-0.24) USER MOD Single : A 392 TYR OH : rot -169:sc= 2.02 USER MOD Single : A 398 SER OG : rot -54:sc= 0.501 USER MOD Single : A 403 ASN : amide:sc= 0.182 X(o=0.18,f=0.0089) USER MOD Single : A 404 SER OG A: rot -85:sc= 0.798 USER MOD Single : A 408 SER OG A: rot 180:sc= 0 USER MOD Single : A 408 SER OG B: rot 180:sc= 0.00269 USER MOD Single : A 409 SER OG : rot -131:sc= 0.118 USER MOD Single : A 501 GOL O1 : rot 80:sc= 1.46 USER MOD Single : A 501 GOL O2 : rot -64:sc= 1.15 USER MOD Single : A 501 GOL O3 : rot -44:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 298 67.434 70.626 51.973 1.00 79.77 N ANISOU 1 N SER A 298 8643 10900 10766 -1600 -581 -1759 N ATOM 2 CA SER A 298 66.640 69.417 51.785 1.00 87.67 C ANISOU 2 CA SER A 298 9690 11791 11831 -1356 -456 -1522 C ATOM 3 C SER A 298 65.525 69.662 50.768 1.00 77.67 C ANISOU 3 C SER A 298 8522 10323 10664 -1366 -70 -1535 C ATOM 4 O SER A 298 64.592 70.414 51.047 1.00 80.82 O ANISOU 4 O SER A 298 9205 10641 10862 -1427 94 -1589 O ATOM 5 CB SER A 298 66.046 68.952 53.117 1.00 85.77 C ANISOU 5 CB SER A 298 9774 11592 11224 -1263 -573 -1319 C ATOM 6 OG SER A 298 67.067 68.632 54.047 1.00 81.70 O ANISOU 6 OG SER A 298 9202 11247 10592 -1229 -999 -1270 O ATOM 0 HA SER A 298 67.223 68.720 51.445 1.00 87.67 H new ATOM 0 HB2 SER A 298 65.479 69.649 53.482 1.00 85.77 H new ATOM 0 HB3 SER A 298 65.483 68.176 52.970 1.00 85.77 H new ATOM 0 HG SER A 298 67.722 69.145 53.932 1.00 81.70 H new ATOM 11 N PRO A 299 65.616 69.032 49.582 1.00 73.18 N ANISOU 11 N PRO A 299 7714 9682 10409 -1282 52 -1521 N ATOM 12 CA PRO A 299 64.597 69.274 48.553 1.00 81.89 C ANISOU 12 CA PRO A 299 8917 10602 11597 -1293 359 -1540 C ATOM 13 C PRO A 299 63.286 68.541 48.819 1.00 78.13 C ANISOU 13 C PRO A 299 8630 9978 11076 -1133 483 -1360 C ATOM 14 O PRO A 299 63.290 67.336 49.072 1.00 94.73 O ANISOU 14 O PRO A 299 10670 12053 13270 -978 378 -1184 O ATOM 15 CB PRO A 299 65.261 68.749 47.279 1.00 86.89 C ANISOU 15 CB PRO A 299 9224 11270 12522 -1257 417 -1612 C ATOM 16 CG PRO A 299 66.155 67.664 47.756 1.00 89.67 C ANISOU 16 CG PRO A 299 9324 11735 13010 -1072 157 -1564 C ATOM 17 CD PRO A 299 66.654 68.095 49.111 1.00 78.81 C ANISOU 17 CD PRO A 299 8046 10490 11409 -1148 -105 -1535 C ATOM 0 HA PRO A 299 64.343 70.209 48.513 1.00 81.89 H new ATOM 0 HB2 PRO A 299 64.604 68.415 46.648 1.00 86.89 H new ATOM 0 HB3 PRO A 299 65.760 69.446 46.826 1.00 86.89 H new ATOM 0 HG2 PRO A 299 65.677 66.822 47.815 1.00 89.67 H new ATOM 0 HG3 PRO A 299 66.894 67.529 47.142 1.00 89.67 H new ATOM 0 HD2 PRO A 299 66.752 67.340 49.712 1.00 78.81 H new ATOM 0 HD3 PRO A 299 67.522 68.524 49.052 1.00 78.81 H new ATOM 25 N GLU A 300 62.177 69.272 48.752 1.00 51.77 N ANISOU 25 N GLU A 300 5507 6532 7632 -1179 684 -1411 N ATOM 26 CA GLU A 300 60.857 68.702 48.999 1.00 51.05 C ANISOU 26 CA GLU A 300 5535 6347 7513 -1072 842 -1276 C ATOM 27 C GLU A 300 60.219 68.218 47.697 1.00 48.72 C ANISOU 27 C GLU A 300 5136 5869 7507 -995 978 -1267 C ATOM 28 O GLU A 300 59.486 68.956 47.038 1.00 47.35 O ANISOU 28 O GLU A 300 5036 5583 7374 -1016 1113 -1384 O ATOM 29 CB GLU A 300 59.956 69.736 49.682 1.00 51.63 C ANISOU 29 CB GLU A 300 5835 6442 7341 -1117 981 -1401 C ATOM 30 CG GLU A 300 58.534 69.268 49.940 1.00 51.58 C ANISOU 30 CG GLU A 300 5878 6407 7312 -1037 1200 -1307 C ATOM 31 CD GLU A 300 57.715 70.290 50.709 1.00 53.13 C ANISOU 31 CD GLU A 300 6239 6688 7258 -1036 1350 -1507 C ATOM 32 OE1 GLU A 300 56.512 70.041 50.931 1.00 54.38 O ANISOU 32 OE1 GLU A 300 6377 6881 7403 -981 1572 -1486 O ATOM 33 OE2 GLU A 300 58.272 71.343 51.089 1.00 57.50 O ANISOU 33 OE2 GLU A 300 6921 7277 7650 -1091 1243 -1716 O ATOM 0 H GLU A 300 62.169 70.111 48.562 1.00 51.77 H new ATOM 0 HA GLU A 300 60.960 67.937 49.587 1.00 51.05 H new ATOM 0 HB2 GLU A 300 60.358 69.989 50.527 1.00 51.63 H new ATOM 0 HB3 GLU A 300 59.926 70.534 49.132 1.00 51.63 H new ATOM 0 HG2 GLU A 300 58.100 69.081 49.093 1.00 51.58 H new ATOM 0 HG3 GLU A 300 58.556 68.435 50.437 1.00 51.58 H new ATOM 40 N PHE A 301 60.506 66.973 47.331 1.00 53.75 N ANISOU 40 N PHE A 301 5618 6453 8351 -886 895 -1145 N ATOM 41 CA PHE A 301 59.944 66.383 46.122 1.00 49.98 C ANISOU 41 CA PHE A 301 5050 5803 8136 -802 982 -1167 C ATOM 42 C PHE A 301 58.443 66.169 46.286 1.00 71.00 C ANISOU 42 C PHE A 301 7814 8340 10820 -786 1130 -1072 C ATOM 43 O PHE A 301 57.965 65.842 47.373 1.00 53.73 O ANISOU 43 O PHE A 301 5712 6204 8500 -815 1156 -905 O ATOM 44 CB PHE A 301 60.623 65.049 45.800 1.00 53.62 C ANISOU 44 CB PHE A 301 5330 6206 8838 -656 817 -1109 C ATOM 45 CG PHE A 301 62.108 65.149 45.611 1.00 55.66 C ANISOU 45 CG PHE A 301 5384 6635 9131 -638 681 -1247 C ATOM 46 CD1 PHE A 301 62.659 66.168 44.855 1.00 66.42 C ANISOU 46 CD1 PHE A 301 6671 8136 10430 -775 791 -1447 C ATOM 47 CD2 PHE A 301 62.955 64.219 46.191 1.00 72.44 C ANISOU 47 CD2 PHE A 301 7378 8779 11368 -496 426 -1169 C ATOM 48 CE1 PHE A 301 64.028 66.261 44.679 1.00 66.55 C ANISOU 48 CE1 PHE A 301 6428 8365 10495 -803 704 -1588 C ATOM 49 CE2 PHE A 301 64.325 64.306 46.019 1.00 78.30 C ANISOU 49 CE2 PHE A 301 7846 9715 12188 -457 293 -1341 C ATOM 50 CZ PHE A 301 64.861 65.329 45.262 1.00 70.11 C ANISOU 50 CZ PHE A 301 6679 8873 11089 -627 461 -1561 C ATOM 0 H PHE A 301 61.027 66.451 47.772 1.00 53.75 H new ATOM 0 HA PHE A 301 60.101 66.997 45.387 1.00 49.98 H new ATOM 0 HB2 PHE A 301 60.439 64.422 46.517 1.00 53.62 H new ATOM 0 HB3 PHE A 301 60.228 64.682 44.994 1.00 53.62 H new ATOM 0 HD1 PHE A 301 62.102 66.799 44.460 1.00 66.42 H new ATOM 0 HD2 PHE A 301 62.599 63.528 46.702 1.00 72.44 H new ATOM 0 HE1 PHE A 301 64.386 66.951 44.168 1.00 66.55 H new ATOM 0 HE2 PHE A 301 64.884 63.676 46.413 1.00 78.30 H new ATOM 0 HZ PHE A 301 65.782 65.389 45.146 1.00 70.11 H new ATOM 60 N LEU A 302 57.700 66.363 45.203 1.00 66.94 N ANISOU 60 N LEU A 302 7282 7694 10459 -760 1224 -1179 N ATOM 61 CA LEU A 302 56.287 66.018 45.189 1.00 70.17 C ANISOU 61 CA LEU A 302 7693 7987 10981 -736 1336 -1118 C ATOM 62 C LEU A 302 56.157 64.505 45.132 1.00 62.54 C ANISOU 62 C LEU A 302 6635 6884 10243 -691 1250 -944 C ATOM 63 O LEU A 302 55.152 63.938 45.555 1.00 73.83 O ANISOU 63 O LEU A 302 8051 8249 11751 -740 1325 -798 O ATOM 64 CB LEU A 302 55.574 66.661 44.000 1.00 54.09 C ANISOU 64 CB LEU A 302 5663 5829 9059 -701 1378 -1291 C ATOM 65 CG LEU A 302 55.739 68.173 43.860 1.00 60.88 C ANISOU 65 CG LEU A 302 6664 6719 9749 -746 1392 -1450 C ATOM 66 CD1 LEU A 302 54.950 68.676 42.663 1.00 64.66 C ANISOU 66 CD1 LEU A 302 7190 7029 10350 -696 1363 -1563 C ATOM 67 CD2 LEU A 302 55.302 68.882 45.129 1.00 75.37 C ANISOU 67 CD2 LEU A 302 8581 8656 11400 -762 1483 -1479 C ATOM 0 H LEU A 302 57.996 66.693 44.466 1.00 66.94 H new ATOM 0 HA LEU A 302 55.867 66.356 45.996 1.00 70.17 H new ATOM 0 HB2 LEU A 302 55.896 66.241 43.187 1.00 54.09 H new ATOM 0 HB3 LEU A 302 54.627 66.461 44.067 1.00 54.09 H new ATOM 0 HG LEU A 302 56.678 68.370 43.717 1.00 60.88 H new ATOM 0 HD11 LEU A 302 55.061 69.636 42.582 1.00 64.66 H new ATOM 0 HD12 LEU A 302 55.274 68.245 41.857 1.00 64.66 H new ATOM 0 HD13 LEU A 302 54.010 68.469 42.784 1.00 64.66 H new ATOM 0 HD21 LEU A 302 55.414 69.839 45.020 1.00 75.37 H new ATOM 0 HD22 LEU A 302 54.369 68.684 45.305 1.00 75.37 H new ATOM 0 HD23 LEU A 302 55.843 68.576 45.874 1.00 75.37 H new ATOM 79 N GLY A 303 57.191 63.858 44.603 1.00 54.03 N ANISOU 79 N GLY A 303 5479 5758 9291 -606 1088 -977 N ATOM 80 CA GLY A 303 57.218 62.413 44.492 1.00 66.73 C ANISOU 80 CA GLY A 303 7023 7164 11166 -522 933 -854 C ATOM 81 C GLY A 303 56.946 61.710 45.806 1.00 68.56 C ANISOU 81 C GLY A 303 7351 7358 11343 -603 877 -530 C ATOM 82 O GLY A 303 56.374 60.623 45.818 1.00 79.93 O ANISOU 82 O GLY A 303 8795 8564 13009 -624 800 -358 O ATOM 0 H GLY A 303 57.895 64.249 44.300 1.00 54.03 H new ATOM 0 HA2 GLY A 303 56.558 62.132 43.839 1.00 66.73 H new ATOM 0 HA3 GLY A 303 58.085 62.136 44.157 1.00 66.73 H new ATOM 86 N GLU A 304 57.352 62.326 46.913 1.00 79.95 N ANISOU 86 N GLU A 304 8894 9021 12463 -679 901 -437 N ATOM 87 CA GLU A 304 57.129 61.737 48.233 1.00 90.82 C ANISOU 87 CA GLU A 304 10417 10422 13670 -792 857 -99 C ATOM 88 C GLU A 304 55.762 62.155 48.777 1.00 90.72 C ANISOU 88 C GLU A 304 10456 10533 13480 -971 1164 -25 C ATOM 89 O GLU A 304 55.440 61.898 49.938 1.00 91.66 O ANISOU 89 O GLU A 304 10710 10776 13340 -1125 1229 238 O ATOM 90 CB GLU A 304 58.224 62.148 49.228 1.00 89.89 C ANISOU 90 CB GLU A 304 10398 10519 13238 -787 703 -49 C ATOM 91 CG GLU A 304 59.543 62.623 48.625 1.00 87.54 C ANISOU 91 CG GLU A 304 9950 10295 13016 -647 545 -315 C ATOM 92 CD GLU A 304 60.243 61.571 47.783 1.00 86.66 C ANISOU 92 CD GLU A 304 9665 9969 13294 -449 314 -368 C ATOM 93 OE1 GLU A 304 59.553 60.724 47.179 1.00 96.17 O ANISOU 93 OE1 GLU A 304 10854 10914 14771 -408 323 -319 O ATOM 94 OE2 GLU A 304 61.491 61.595 47.729 1.00 74.89 O ANISOU 94 OE2 GLU A 304 8028 8576 11853 -328 114 -497 O ATOM 0 H GLU A 304 57.758 63.084 46.923 1.00 79.95 H new ATOM 0 HA GLU A 304 57.158 60.773 48.130 1.00 90.82 H new ATOM 0 HB2 GLU A 304 57.874 62.857 49.790 1.00 89.89 H new ATOM 0 HB3 GLU A 304 58.409 61.392 49.807 1.00 89.89 H new ATOM 0 HG2 GLU A 304 59.376 63.406 48.077 1.00 87.54 H new ATOM 0 HG3 GLU A 304 60.136 62.900 49.341 1.00 87.54 H new ATOM 101 N GLU A 305 54.964 62.798 47.929 1.00 61.01 N ANISOU 101 N GLU A 305 7423 9535 6222 -820 -1500 1384 N ATOM 102 CA GLU A 305 53.662 63.316 48.328 1.00 63.02 C ANISOU 102 CA GLU A 305 8089 9517 6340 -783 -1439 1212 C ATOM 103 C GLU A 305 52.546 62.516 47.662 1.00 56.68 C ANISOU 103 C GLU A 305 7283 8614 5639 -563 -1107 1219 C ATOM 104 O GLU A 305 52.615 62.219 46.472 1.00 49.82 O ANISOU 104 O GLU A 305 6130 7815 4986 -584 -976 1286 O ATOM 105 CB GLU A 305 53.557 64.797 47.958 1.00 81.10 C ANISOU 105 CB GLU A 305 10511 11641 8661 -1103 -1594 1096 C ATOM 106 CG GLU A 305 52.292 65.484 48.421 1.00 82.34 C ANISOU 106 CG GLU A 305 11120 11501 8666 -1071 -1544 907 C ATOM 107 CD GLU A 305 52.265 66.945 48.027 1.00 79.52 C ANISOU 107 CD GLU A 305 10919 10935 8361 -1379 -1704 803 C ATOM 108 OE1 GLU A 305 51.739 67.259 46.938 1.00 79.70 O ANISOU 108 OE1 GLU A 305 10882 10852 8549 -1445 -1595 804 O ATOM 109 OE2 GLU A 305 52.778 67.781 48.800 1.00 73.61 O ANISOU 109 OE2 GLU A 305 10368 10116 7486 -1551 -1941 730 O ATOM 0 H GLU A 305 55.164 62.946 47.106 1.00 61.01 H new ATOM 0 HA GLU A 305 53.567 63.227 49.289 1.00 63.02 H new ATOM 0 HB2 GLU A 305 54.319 65.265 48.334 1.00 81.10 H new ATOM 0 HB3 GLU A 305 53.620 64.881 46.994 1.00 81.10 H new ATOM 0 HG2 GLU A 305 51.522 65.033 48.041 1.00 82.34 H new ATOM 0 HG3 GLU A 305 52.218 65.408 49.385 1.00 82.34 H new ATOM 116 N ASP A 306 51.518 62.169 48.429 1.00 56.55 N ANISOU 116 N ASP A 306 7588 8435 5462 -353 -948 1153 N ATOM 117 CA ASP A 306 50.430 61.347 47.910 1.00 43.01 C ANISOU 117 CA ASP A 306 5873 6603 3865 -153 -603 1168 C ATOM 118 C ASP A 306 49.555 62.106 46.909 1.00 27.16 C ANISOU 118 C ASP A 306 3885 4447 1986 -280 -514 1081 C ATOM 119 O ASP A 306 49.230 63.277 47.107 1.00 35.80 O ANISOU 119 O ASP A 306 5224 5401 2978 -441 -650 961 O ATOM 120 CB ASP A 306 49.566 60.827 49.058 1.00 49.68 C ANISOU 120 CB ASP A 306 7060 7298 4520 69 -421 1140 C ATOM 121 CG ASP A 306 50.274 59.776 49.894 1.00 72.86 C ANISOU 121 CG ASP A 306 9962 10340 7380 215 -451 1255 C ATOM 122 OD1 ASP A 306 51.260 59.181 49.403 1.00 65.58 O ANISOU 122 OD1 ASP A 306 8705 9609 6603 231 -515 1370 O ATOM 123 OD2 ASP A 306 49.837 59.540 51.040 1.00 67.14 O ANISOU 123 OD2 ASP A 306 9523 9528 6460 294 -397 1245 O ATOM 0 H ASP A 306 51.431 62.399 49.253 1.00 56.55 H new ATOM 0 HA ASP A 306 50.836 60.602 47.440 1.00 43.01 H new ATOM 0 HB2 ASP A 306 49.310 61.569 49.627 1.00 49.68 H new ATOM 0 HB3 ASP A 306 48.748 60.451 48.697 1.00 49.68 H new ATOM 128 N ILE A 307 49.181 61.428 45.828 1.00 30.90 N ANISOU 128 N ILE A 307 4127 4921 2693 -200 -292 1123 N ATOM 129 CA ILE A 307 48.247 61.987 44.860 1.00 26.29 C ANISOU 129 CA ILE A 307 3554 4175 2260 -274 -178 1035 C ATOM 130 C ILE A 307 46.843 61.853 45.442 1.00 21.61 C ANISOU 130 C ILE A 307 3219 3331 1660 -93 76 918 C ATOM 131 O ILE A 307 46.475 60.775 45.911 1.00 26.15 O ANISOU 131 O ILE A 307 3802 3899 2235 112 293 974 O ATOM 132 CB ILE A 307 48.367 61.283 43.501 1.00 20.20 C ANISOU 132 CB ILE A 307 2455 3484 1734 -244 -40 1090 C ATOM 133 CG1 ILE A 307 49.763 61.521 42.913 1.00 28.33 C ANISOU 133 CG1 ILE A 307 3207 4766 2791 -410 -251 1194 C ATOM 134 CG2 ILE A 307 47.300 61.773 42.546 1.00 24.48 C ANISOU 134 CG2 ILE A 307 3022 3840 2439 -291 76 982 C ATOM 135 CD1 ILE A 307 50.154 60.539 41.833 1.00 26.39 C ANISOU 135 CD1 ILE A 307 2655 4649 2722 -294 -101 1257 C ATOM 0 H ILE A 307 49.460 60.637 45.637 1.00 30.90 H new ATOM 0 HA ILE A 307 48.449 62.922 44.698 1.00 26.29 H new ATOM 0 HB ILE A 307 48.238 60.331 43.632 1.00 20.20 H new ATOM 0 HG12 ILE A 307 49.801 62.419 42.549 1.00 28.33 H new ATOM 0 HG13 ILE A 307 50.416 61.477 43.629 1.00 28.33 H new ATOM 0 HG21 ILE A 307 47.393 61.317 41.695 1.00 24.48 H new ATOM 0 HG22 ILE A 307 46.423 61.588 42.917 1.00 24.48 H new ATOM 0 HG23 ILE A 307 47.399 62.729 42.413 1.00 24.48 H new ATOM 0 HD11 ILE A 307 51.044 60.750 41.510 1.00 26.39 H new ATOM 0 HD12 ILE A 307 50.147 59.639 42.196 1.00 26.39 H new ATOM 0 HD13 ILE A 307 49.522 60.596 41.099 1.00 26.39 H new ATOM 147 N PRO A 308 46.059 62.943 45.439 1.00 24.87 N ANISOU 147 N PRO A 308 3842 3536 2071 -158 63 771 N ATOM 148 CA PRO A 308 44.717 62.842 46.025 1.00 20.22 C ANISOU 148 CA PRO A 308 3459 2743 1481 40 332 678 C ATOM 149 C PRO A 308 43.860 61.761 45.378 1.00 22.49 C ANISOU 149 C PRO A 308 3531 2999 2016 179 630 719 C ATOM 150 O PRO A 308 43.856 61.624 44.148 1.00 19.60 O ANISOU 150 O PRO A 308 2926 2663 1859 100 624 729 O ATOM 151 CB PRO A 308 44.123 64.228 45.776 1.00 21.09 C ANISOU 151 CB PRO A 308 3754 2650 1608 -45 255 532 C ATOM 152 CG PRO A 308 45.296 65.132 45.715 1.00 30.43 C ANISOU 152 CG PRO A 308 4994 3901 2667 -302 -103 535 C ATOM 153 CD PRO A 308 46.403 64.334 45.097 1.00 22.69 C ANISOU 153 CD PRO A 308 3663 3195 1764 -397 -196 698 C ATOM 0 HA PRO A 308 44.752 62.590 46.961 1.00 20.22 H new ATOM 0 HB2 PRO A 308 43.616 64.251 44.949 1.00 21.09 H new ATOM 0 HB3 PRO A 308 43.516 64.485 46.488 1.00 21.09 H new ATOM 0 HG2 PRO A 308 45.099 65.920 45.185 1.00 30.43 H new ATOM 0 HG3 PRO A 308 45.543 65.440 46.601 1.00 30.43 H new ATOM 0 HD2 PRO A 308 46.445 64.466 44.137 1.00 22.69 H new ATOM 0 HD3 PRO A 308 47.268 64.586 45.456 1.00 22.69 H new ATOM 161 N AARG A 309 43.129 61.011 46.202 0.63 20.94 N ANISOU 161 N AARG A 309 3389 2732 1835 348 834 699 N ATOM 162 N BARG A 309 43.132 61.028 46.217 0.37 18.74 N ANISOU 162 N BARG A 309 3116 2453 1552 348 832 699 N ATOM 163 CA AARG A 309 42.339 59.882 45.722 0.63 17.55 C ANISOU 163 CA AARG A 309 2731 2238 1699 419 987 673 C ATOM 164 CA BARG A 309 42.349 59.874 45.793 0.37 17.64 C ANISOU 164 CA BARG A 309 2753 2251 1700 424 988 675 C ATOM 165 C AARG A 309 40.844 60.178 45.735 0.63 17.62 C ANISOU 165 C AARG A 309 2765 2074 1856 495 1150 592 C ATOM 166 C BARG A 309 40.856 60.184 45.730 0.37 17.62 C ANISOU 166 C BARG A 309 2765 2075 1854 494 1148 592 C ATOM 167 O AARG A 309 40.041 59.347 45.313 0.63 17.03 O ANISOU 167 O AARG A 309 2536 1928 2008 512 1207 581 O ATOM 168 O BARG A 309 40.069 59.373 45.245 0.37 25.23 O ANISOU 168 O BARG A 309 3567 2969 3049 506 1200 579 O ATOM 169 CB AARG A 309 42.615 58.641 46.572 0.63 20.19 C ANISOU 169 CB AARG A 309 3068 2599 2005 526 1039 739 C ATOM 170 CB BARG A 309 42.585 58.705 46.752 0.37 18.84 C ANISOU 170 CB BARG A 309 2931 2424 1805 537 1047 739 C ATOM 171 CG AARG A 309 44.062 58.181 46.567 0.63 21.94 C ANISOU 171 CG AARG A 309 3226 2997 2112 498 894 845 C ATOM 172 CG BARG A 309 43.403 57.560 46.184 0.37 37.00 C ANISOU 172 CG BARG A 309 5046 4807 4206 537 993 808 C ATOM 173 CD AARG A 309 44.523 57.753 45.185 0.63 19.64 C ANISOU 173 CD AARG A 309 2690 2760 2010 434 837 850 C ATOM 174 CD BARG A 309 44.876 57.902 46.045 0.37 43.38 C ANISOU 174 CD BARG A 309 5816 5819 4848 464 805 900 C ATOM 175 NE AARG A 309 45.826 57.082 45.237 0.63 31.33 N ANISOU 175 NE AARG A 309 4073 4408 3423 484 752 973 N ATOM 176 NE BARG A 309 45.681 56.696 45.855 0.37 36.67 N ANISOU 176 NE BARG A 309 4822 5049 4062 557 805 992 N ATOM 177 CZ AARG A 309 46.009 55.762 45.263 0.63 20.86 C ANISOU 177 CZ AARG A 309 2681 3054 2190 629 840 1028 C ATOM 178 CZ BARG A 309 46.989 56.691 45.621 0.37 36.79 C ANISOU 178 CZ BARG A 309 4710 5270 3997 542 658 1103 C ATOM 179 NH1AARG A 309 44.979 54.925 45.224 0.63 22.89 N ANISOU 179 NH1AARG A 309 2977 3109 2609 697 987 971 N ATOM 180 NH1BARG A 309 47.663 57.832 45.542 0.37 19.81 N ANISOU 180 NH1BARG A 309 2554 3267 1704 389 454 1133 N ATOM 181 NH2AARG A 309 47.239 55.271 45.315 0.63 32.56 N ANISOU 181 NH2AARG A 309 4053 4716 3603 710 770 1163 N ATOM 182 NH2BARG A 309 47.626 55.539 45.464 0.37 34.54 N ANISOU 182 NH2BARG A 309 4293 5048 3781 688 704 1197 N ATOM 0 H AARG A 309 43.078 61.143 47.050 0.63 18.74 H new ATOM 0 H BARG A 309 43.079 61.191 47.060 0.37 18.74 H new ATOM 0 HA AARG A 309 42.605 59.721 44.803 0.63 17.64 H new ATOM 0 HA BARG A 309 42.642 59.638 44.899 0.37 17.64 H new ATOM 0 HB2AARG A 309 42.349 58.824 47.487 0.63 18.84 H new ATOM 0 HB2BARG A 309 43.032 59.041 47.545 0.37 18.84 H new ATOM 0 HB3AARG A 309 42.056 57.915 46.254 0.63 18.84 H new ATOM 0 HB3BARG A 309 41.724 58.359 47.036 0.37 18.84 H new ATOM 0 HG2AARG A 309 44.629 58.900 46.887 0.63 37.00 H new ATOM 0 HG2BARG A 309 43.308 56.784 46.758 0.37 37.00 H new ATOM 0 HG3AARG A 309 44.166 57.440 47.185 0.63 37.00 H new ATOM 0 HG3BARG A 309 43.049 57.315 45.315 0.37 37.00 H new ATOM 0 HD2AARG A 309 43.866 57.156 44.794 0.63 43.38 H new ATOM 0 HD2BARG A 309 45.002 58.501 45.292 0.37 43.38 H new ATOM 0 HD3AARG A 309 44.581 58.530 44.607 0.63 43.38 H new ATOM 0 HD3BARG A 309 45.178 58.374 46.837 0.37 43.38 H new ATOM 0 HE AARG A 309 46.527 57.579 45.252 0.63 36.67 H new ATOM 0 HE BARG A 309 45.280 55.937 45.898 0.37 36.67 H new ATOM 0 HH11AARG A 309 44.177 55.232 45.181 0.63 19.81 H new ATOM 0 HH11BARG A 309 47.253 58.581 45.643 0.37 19.81 H new ATOM 0 HH12AARG A 309 45.114 54.076 45.242 0.63 19.81 H new ATOM 0 HH12BARG A 309 48.509 57.822 45.390 0.37 19.81 H new ATOM 0 HH21AARG A 309 47.914 55.803 45.332 0.63 34.54 H new ATOM 0 HH21BARG A 309 47.193 54.798 45.514 0.37 34.54 H new ATOM 0 HH22AARG A 309 47.362 54.420 45.332 0.63 34.54 H new ATOM 0 HH22BARG A 309 48.473 55.533 45.312 0.37 34.54 H new ATOM 209 N GLU A 310 40.467 61.351 46.233 1.00 19.96 N ANISOU 209 N GLU A 310 3292 2292 2000 538 1200 542 N ATOM 210 CA GLU A 310 39.055 61.741 46.257 1.00 23.39 C ANISOU 210 CA GLU A 310 3733 2576 2578 638 1364 488 C ATOM 211 C GLU A 310 38.661 62.207 44.864 1.00 22.51 C ANISOU 211 C GLU A 310 3438 2440 2676 552 1326 459 C ATOM 212 O GLU A 310 39.521 62.584 44.085 1.00 18.62 O ANISOU 212 O GLU A 310 2919 2017 2140 422 1197 476 O ATOM 213 CB GLU A 310 38.778 62.842 47.289 1.00 33.41 C ANISOU 213 CB GLU A 310 5353 3746 3597 760 1439 418 C ATOM 214 CG GLU A 310 39.897 63.854 47.487 1.00 53.40 C ANISOU 214 CG GLU A 310 8212 6290 5788 673 1245 362 C ATOM 215 CD GLU A 310 40.926 63.392 48.504 1.00 72.51 C ANISOU 215 CD GLU A 310 10763 8830 7959 646 1102 408 C ATOM 216 OE1 GLU A 310 40.527 62.845 49.555 1.00 75.55 O ANISOU 216 OE1 GLU A 310 11202 9202 8301 785 1233 420 O ATOM 217 OE2 GLU A 310 42.135 63.564 48.250 1.00 69.49 O ANISOU 217 OE2 GLU A 310 10390 8561 7451 471 828 449 O ATOM 0 H AGLU A 310 41.007 61.934 46.561 0.63 19.96 H new ATOM 0 H BGLU A 310 41.004 61.934 46.567 0.37 19.96 H new ATOM 0 HA GLU A 310 38.524 60.973 46.520 1.00 23.39 H new ATOM 0 HB2 GLU A 310 37.976 63.318 47.023 1.00 33.41 H new ATOM 0 HB3 GLU A 310 38.588 62.422 48.143 1.00 33.41 H new ATOM 0 HG2 GLU A 310 40.336 64.016 46.638 1.00 53.40 H new ATOM 0 HG3 GLU A 310 39.518 64.699 47.776 1.00 53.40 H new ATOM 224 N PRO A 311 37.358 62.168 44.542 1.00 22.13 N ANISOU 224 N PRO A 311 3256 2310 2843 593 1404 450 N ATOM 225 CA PRO A 311 36.947 62.673 43.228 1.00 19.59 C ANISOU 225 CA PRO A 311 2765 1975 2703 524 1344 425 C ATOM 226 C PRO A 311 37.147 64.171 43.113 1.00 20.65 C ANISOU 226 C PRO A 311 3093 2024 2729 579 1350 356 C ATOM 227 O PRO A 311 37.040 64.882 44.117 1.00 21.98 O ANISOU 227 O PRO A 311 3547 2093 2711 703 1399 295 O ATOM 228 CB PRO A 311 35.453 62.323 43.157 1.00 19.14 C ANISOU 228 CB PRO A 311 2561 1881 2830 551 1404 444 C ATOM 229 CG PRO A 311 35.246 61.278 44.210 1.00 32.53 C ANISOU 229 CG PRO A 311 4300 3577 4484 588 1490 494 C ATOM 230 CD PRO A 311 36.223 61.608 45.290 1.00 25.41 C ANISOU 230 CD PRO A 311 3647 2677 3331 671 1530 491 C ATOM 0 HA PRO A 311 37.469 62.286 42.508 1.00 19.59 H new ATOM 0 HB2 PRO A 311 34.902 63.103 43.324 1.00 19.14 H new ATOM 0 HB3 PRO A 311 35.212 61.989 42.279 1.00 19.14 H new ATOM 0 HG2 PRO A 311 34.336 61.294 44.545 1.00 32.53 H new ATOM 0 HG3 PRO A 311 35.403 60.389 43.856 1.00 32.53 H new ATOM 0 HD2 PRO A 311 35.858 62.247 45.922 1.00 25.41 H new ATOM 0 HD3 PRO A 311 36.479 60.821 45.797 1.00 25.41 H new ATOM 238 N ARG A 312 37.422 64.626 41.896 1.00 18.40 N ANISOU 238 N ARG A 312 2690 1751 2551 437 1136 351 N ATOM 239 CA ARG A 312 37.610 66.034 41.601 1.00 17.11 C ANISOU 239 CA ARG A 312 2711 1465 2323 398 934 294 C ATOM 240 C ARG A 312 36.780 66.423 40.398 1.00 16.80 C ANISOU 240 C ARG A 312 2480 1390 2514 410 891 307 C ATOM 241 O ARG A 312 36.482 65.586 39.533 1.00 17.06 O ANISOU 241 O ARG A 312 2225 1536 2720 354 917 355 O ATOM 242 CB ARG A 312 39.080 66.359 41.297 1.00 26.14 C ANISOU 242 CB ARG A 312 3939 2677 3318 162 657 317 C ATOM 243 CG ARG A 312 40.078 65.889 42.331 1.00 25.28 C ANISOU 243 CG ARG A 312 3958 2660 2986 118 630 334 C ATOM 244 CD ARG A 312 40.863 64.690 41.834 1.00 20.26 C ANISOU 244 CD ARG A 312 3064 2238 2395 21 620 434 C ATOM 245 NE ARG A 312 41.514 64.947 40.553 1.00 16.28 N ANISOU 245 NE ARG A 312 2396 1822 1968 -165 435 482 N ATOM 246 CZ ARG A 312 41.898 63.990 39.714 1.00 18.77 C ANISOU 246 CZ ARG A 312 2464 2294 2375 -210 463 550 C ATOM 247 NH1 ARG A 312 41.711 62.707 40.014 1.00 14.62 N ANISOU 247 NH1 ARG A 312 1835 1824 1894 -98 648 575 N ATOM 248 NH2 ARG A 312 42.467 64.316 38.575 1.00 15.35 N ANISOU 248 NH2 ARG A 312 1911 1945 1974 -361 318 595 N ATOM 0 H ARG A 312 37.505 64.115 41.210 1.00 18.40 H new ATOM 0 HA ARG A 312 37.333 66.532 42.386 1.00 17.11 H new ATOM 0 HB2 ARG A 312 39.312 65.963 40.443 1.00 26.14 H new ATOM 0 HB3 ARG A 312 39.169 67.320 41.198 1.00 26.14 H new ATOM 0 HG2 ARG A 312 40.689 66.611 42.546 1.00 25.28 H new ATOM 0 HG3 ARG A 312 39.613 65.657 43.150 1.00 25.28 H new ATOM 0 HD2 ARG A 312 41.533 64.449 42.493 1.00 20.26 H new ATOM 0 HD3 ARG A 312 40.267 63.930 41.745 1.00 20.26 H new ATOM 0 HE ARG A 312 41.657 65.765 40.328 1.00 16.28 H new ATOM 0 HH11 ARG A 312 41.338 62.489 40.758 1.00 14.62 H new ATOM 0 HH12 ARG A 312 41.963 62.096 39.464 1.00 14.62 H new ATOM 0 HH21 ARG A 312 42.589 65.144 38.377 1.00 15.35 H new ATOM 0 HH22 ARG A 312 42.718 63.701 38.028 1.00 15.35 H new ATOM 262 N AARG A 313 36.405 67.697 40.345 0.39 17.61 N ANISOU 262 N AARG A 313 2765 1320 2606 490 812 262 N ATOM 263 N BARG A 313 36.428 67.702 40.335 0.61 17.59 N ANISOU 263 N BARG A 313 2764 1318 2602 486 807 262 N ATOM 264 CA AARG A 313 35.762 68.258 39.169 0.39 17.70 C ANISOU 264 CA AARG A 313 2636 1290 2800 504 712 295 C ATOM 265 CA BARG A 313 35.754 68.268 39.178 0.61 17.73 C ANISOU 265 CA BARG A 313 2641 1291 2803 506 713 294 C ATOM 266 C AARG A 313 36.800 68.990 38.332 0.39 17.17 C ANISOU 266 C AARG A 313 2678 1199 2648 276 425 329 C ATOM 267 C BARG A 313 36.758 69.031 38.325 0.61 17.34 C ANISOU 267 C BARG A 313 2702 1212 2673 283 425 328 C ATOM 268 O AARG A 313 37.580 69.790 38.851 0.39 25.77 O ANISOU 268 O AARG A 313 4062 2168 3562 190 300 294 O ATOM 269 O BARG A 313 37.473 69.899 38.830 0.61 20.25 O ANISOU 269 O BARG A 313 3375 1446 2873 209 301 292 O ATOM 270 CB AARG A 313 34.630 69.210 39.558 0.39 21.68 C ANISOU 270 CB AARG A 313 3262 1607 3370 777 820 254 C ATOM 271 CB BARG A 313 34.620 69.194 39.616 0.61 20.44 C ANISOU 271 CB BARG A 313 3109 1448 3208 784 831 252 C ATOM 272 CG AARG A 313 33.938 69.861 38.363 0.39 29.58 C ANISOU 272 CG AARG A 313 4123 2562 4556 827 693 312 C ATOM 273 CG BARG A 313 33.809 69.786 38.470 0.61 30.99 C ANISOU 273 CG BARG A 313 4284 2745 4746 856 730 309 C ATOM 274 CD AARG A 313 32.832 70.818 38.787 0.39 43.34 C ANISOU 274 CD AARG A 313 5950 4199 6318 1083 761 266 C ATOM 275 CD BARG A 313 32.852 70.862 38.963 0.61 46.36 C ANISOU 275 CD BARG A 313 6369 4570 6675 1095 776 253 C ATOM 276 NE AARG A 313 31.840 70.169 39.641 0.39 45.62 N ANISOU 276 NE AARG A 313 6061 4641 6630 1212 1001 245 N ATOM 277 NE BARG A 313 32.196 70.484 40.213 0.61 44.11 N ANISOU 277 NE BARG A 313 6073 4369 6317 1232 1017 198 N ATOM 278 CZ AARG A 313 31.854 70.188 40.972 0.39 51.17 C ANISOU 278 CZ AARG A 313 6963 5319 7159 1296 1161 180 C ATOM 279 CZ BARG A 313 31.114 69.715 40.296 0.61 56.35 C ANISOU 279 CZ BARG A 313 7309 6104 7999 1287 1171 246 C ATOM 280 NH1AARG A 313 32.810 70.830 41.635 0.39 42.97 N ANISOU 280 NH1AARG A 313 6316 4112 5899 1272 1098 98 N ATOM 281 NH1BARG A 313 30.547 69.226 39.200 0.61 58.04 N ANISOU 281 NH1BARG A 313 7192 6444 8418 1221 1101 322 N ATOM 282 NH2AARG A 313 30.901 69.561 41.646 0.39 57.42 N ANISOU 282 NH2AARG A 313 7581 6250 7988 1378 1366 209 N ATOM 283 NH2BARG A 313 30.597 69.432 41.485 0.61 58.97 N ANISOU 283 NH2BARG A 313 7680 6485 8243 1384 1377 230 N ATOM 0 H AARG A 313 36.517 68.256 40.988 0.39 17.59 H new ATOM 0 H BARG A 313 36.575 68.267 40.966 0.61 17.59 H new ATOM 0 HA AARG A 313 35.374 67.535 38.652 0.39 17.73 H new ATOM 0 HA BARG A 313 35.371 67.547 38.654 0.61 17.73 H new ATOM 0 HB2AARG A 313 33.971 68.722 40.077 0.39 20.44 H new ATOM 0 HB2BARG A 313 34.022 68.701 40.199 0.61 20.44 H new ATOM 0 HB3AARG A 313 34.986 69.905 40.134 0.39 20.44 H new ATOM 0 HB3BARG A 313 34.994 69.919 40.141 0.61 20.44 H new ATOM 0 HG2AARG A 313 34.594 70.342 37.834 0.39 30.99 H new ATOM 0 HG2BARG A 313 34.409 70.164 37.808 0.61 30.99 H new ATOM 0 HG3AARG A 313 33.565 69.171 37.793 0.39 30.99 H new ATOM 0 HG3BARG A 313 33.308 69.082 38.029 0.61 30.99 H new ATOM 0 HD2AARG A 313 33.221 71.571 39.260 0.39 46.36 H new ATOM 0 HD2BARG A 313 33.339 71.691 39.092 0.61 46.36 H new ATOM 0 HD3AARG A 313 32.394 71.174 37.998 0.39 46.36 H new ATOM 0 HD3BARG A 313 32.180 71.031 38.284 0.61 46.36 H new ATOM 0 HE AARG A 313 31.200 69.743 39.255 0.39 44.11 H new ATOM 0 HE BARG A 313 32.533 70.780 40.947 0.61 44.11 H new ATOM 0 HH11AARG A 313 33.431 71.241 41.204 0.39 58.04 H new ATOM 0 HH11BARG A 313 30.879 69.406 38.427 0.61 58.04 H new ATOM 0 HH12AARG A 313 32.808 70.835 42.495 0.39 58.04 H new ATOM 0 HH12BARG A 313 29.848 68.730 39.263 0.61 58.04 H new ATOM 0 HH21AARG A 313 30.278 69.145 41.224 0.39 58.97 H new ATOM 0 HH21BARG A 313 30.962 69.746 42.198 0.61 58.97 H new ATOM 0 HH22AARG A 313 30.905 69.570 42.506 0.39 58.97 H new ATOM 0 HH22BARG A 313 29.897 68.935 41.542 0.61 58.97 H new ATOM 310 N ILE A 314 36.802 68.705 37.036 1.00 16.84 N ANISOU 310 N ILE A 314 2403 1273 2721 163 320 401 N ATOM 311 CA ILE A 314 37.720 69.337 36.104 1.00 17.84 C ANISOU 311 CA ILE A 314 2595 1409 2775 -53 84 468 C ATOM 312 C ILE A 314 36.936 69.866 34.909 1.00 21.85 C ANISOU 312 C ILE A 314 3007 1877 3418 -2 -13 529 C ATOM 313 O ILE A 314 36.118 69.154 34.329 1.00 19.31 O ANISOU 313 O ILE A 314 2426 1669 3242 74 49 539 O ATOM 314 CB ILE A 314 38.824 68.356 35.633 1.00 17.75 C ANISOU 314 CB ILE A 314 2413 1636 2696 -259 47 520 C ATOM 315 CG1 ILE A 314 39.631 67.818 36.814 1.00 25.49 C ANISOU 315 CG1 ILE A 314 3470 2674 3540 -289 116 487 C ATOM 316 CG2 ILE A 314 39.760 69.043 34.660 1.00 26.67 C ANISOU 316 CG2 ILE A 314 3584 2801 3748 -480 -160 617 C ATOM 317 CD1 ILE A 314 39.132 66.507 37.339 1.00 30.18 C ANISOU 317 CD1 ILE A 314 3907 3360 4202 -155 337 455 C ATOM 0 H AILE A 314 36.268 68.137 36.673 0.39 16.84 H new ATOM 0 H BILE A 314 36.296 68.108 36.679 0.61 16.84 H new ATOM 0 HA ILE A 314 38.162 70.071 36.559 1.00 17.84 H new ATOM 0 HB ILE A 314 38.384 67.612 35.193 1.00 17.75 H new ATOM 0 HG12 ILE A 314 40.557 67.717 36.543 1.00 25.49 H new ATOM 0 HG13 ILE A 314 39.615 68.471 37.531 1.00 25.49 H new ATOM 0 HG21 ILE A 314 40.445 68.419 34.374 1.00 26.67 H new ATOM 0 HG22 ILE A 314 39.258 69.348 33.888 1.00 26.67 H new ATOM 0 HG23 ILE A 314 40.177 69.803 35.094 1.00 26.67 H new ATOM 0 HD11 ILE A 314 39.686 66.224 38.083 1.00 30.18 H new ATOM 0 HD12 ILE A 314 38.215 66.606 37.638 1.00 30.18 H new ATOM 0 HD13 ILE A 314 39.172 65.840 36.636 1.00 30.18 H new ATOM 329 N VAL A 315 37.192 71.116 34.535 1.00 18.45 N ANISOU 329 N VAL A 315 2798 1277 2935 -57 -183 578 N ATOM 330 CA VAL A 315 36.587 71.683 33.337 1.00 19.91 C ANISOU 330 CA VAL A 315 2923 1426 3214 -17 -308 670 C ATOM 331 C VAL A 315 37.631 71.759 32.231 1.00 20.56 C ANISOU 331 C VAL A 315 2989 1632 3193 -290 -476 784 C ATOM 332 O VAL A 315 38.717 72.326 32.418 1.00 24.70 O ANISOU 332 O VAL A 315 3689 2119 3579 -481 -559 807 O ATOM 333 CB VAL A 315 35.982 73.072 33.602 1.00 28.25 C ANISOU 333 CB VAL A 315 4259 2175 4301 163 -361 675 C ATOM 334 CG1 VAL A 315 35.374 73.636 32.326 1.00 31.20 C ANISOU 334 CG1 VAL A 315 4566 2524 4766 222 -508 801 C ATOM 335 CG2 VAL A 315 34.932 72.991 34.695 1.00 35.74 C ANISOU 335 CG2 VAL A 315 5212 3028 5339 473 -147 568 C ATOM 0 H VAL A 315 37.713 71.651 34.961 1.00 18.45 H new ATOM 0 HA VAL A 315 35.860 71.103 33.061 1.00 19.91 H new ATOM 0 HB VAL A 315 36.690 73.666 33.897 1.00 28.25 H new ATOM 0 HG11 VAL A 315 34.996 74.511 32.507 1.00 31.20 H new ATOM 0 HG12 VAL A 315 36.062 73.715 31.647 1.00 31.20 H new ATOM 0 HG13 VAL A 315 34.675 73.042 32.010 1.00 31.20 H new ATOM 0 HG21 VAL A 315 34.559 73.873 34.852 1.00 35.74 H new ATOM 0 HG22 VAL A 315 34.225 72.386 34.421 1.00 35.74 H new ATOM 0 HG23 VAL A 315 35.340 72.663 35.512 1.00 35.74 H new ATOM 345 N AILE A 316 37.309 71.158 31.089 0.71 21.26 N ANISOU 345 N AILE A 316 2846 1903 3328 -305 -511 838 N ATOM 346 N BILE A 316 37.282 71.204 31.076 0.29 17.59 N ANISOU 346 N BILE A 316 2387 1431 2866 -301 -516 840 N ATOM 347 CA AILE A 316 38.161 71.213 29.906 0.71 21.97 C ANISOU 347 CA AILE A 316 2916 2131 3299 -520 -638 957 C ATOM 348 CA BILE A 316 38.156 71.202 29.912 0.29 20.85 C ANISOU 348 CA BILE A 316 2773 1991 3159 -519 -637 956 C ATOM 349 C AILE A 316 37.500 72.097 28.870 0.71 19.05 C ANISOU 349 C AILE A 316 2611 1669 2957 -456 -794 1072 C ATOM 350 C BILE A 316 37.513 72.019 28.803 0.29 18.96 C ANISOU 350 C BILE A 316 2583 1678 2942 -463 -794 1073 C ATOM 351 O AILE A 316 36.279 72.094 28.733 0.71 23.39 O ANISOU 351 O AILE A 316 3063 2181 3644 -242 -800 1049 O ATOM 352 O BILE A 316 36.316 71.894 28.547 0.29 19.57 O ANISOU 352 O BILE A 316 2536 1751 3150 -265 -804 1051 O ATOM 353 CB AILE A 316 38.416 69.820 29.301 0.71 25.68 C ANISOU 353 CB AILE A 316 3134 2883 3739 -584 -565 925 C ATOM 354 CB BILE A 316 38.440 69.769 29.431 0.29 22.71 C ANISOU 354 CB BILE A 316 2758 2506 3367 -581 -550 914 C ATOM 355 CG1AILE A 316 39.164 68.916 30.279 0.71 29.46 C ANISOU 355 CG1AILE A 316 3557 3455 4183 -631 -415 843 C ATOM 356 CG1BILE A 316 38.920 68.896 30.594 0.29 21.26 C ANISOU 356 CG1BILE A 316 2523 2375 3179 -581 -387 813 C ATOM 357 CG2AILE A 316 39.202 69.942 27.988 0.71 29.82 C ANISOU 357 CG2AILE A 316 3656 3563 4111 -758 -668 1048 C ATOM 358 CG2BILE A 316 39.465 69.773 28.303 0.29 25.97 C ANISOU 358 CG2BILE A 316 3160 3100 3609 -763 -624 1009 C ATOM 359 CD1AILE A 316 39.295 67.489 29.766 0.71 23.15 C ANISOU 359 CD1AILE A 316 2559 2880 3358 -618 -317 771 C ATOM 360 CD1BILE A 316 40.138 69.428 31.305 0.29 15.89 C ANISOU 360 CD1BILE A 316 1996 1685 2354 -692 -406 806 C ATOM 0 H AILE A 316 36.586 70.705 30.979 0.71 17.59 H new ATOM 0 H BILE A 316 36.526 70.816 30.946 0.29 17.59 H new ATOM 0 HA AILE A 316 39.021 71.573 30.174 0.71 20.85 H new ATOM 0 HA BILE A 316 39.006 71.600 30.158 0.29 20.85 H new ATOM 0 HB AILE A 316 37.554 69.415 29.118 0.71 22.71 H new ATOM 0 HB BILE A 316 37.614 69.393 29.089 0.29 22.71 H new ATOM 0 HG12AILE A 316 40.048 69.281 30.442 0.71 21.26 H new ATOM 0 HG12BILE A 316 38.198 68.804 31.235 0.29 21.26 H new ATOM 0 HG13AILE A 316 38.699 68.910 31.130 0.71 21.26 H new ATOM 0 HG13BILE A 316 39.116 68.007 30.258 0.29 21.26 H new ATOM 0 HG21AILE A 316 39.355 69.058 27.619 0.71 25.97 H new ATOM 0 HG21BILE A 316 39.631 68.862 28.013 0.29 25.97 H new ATOM 0 HG22AILE A 316 38.694 70.473 27.355 0.71 25.97 H new ATOM 0 HG22BILE A 316 39.124 70.292 27.558 0.29 25.97 H new ATOM 0 HG23AILE A 316 40.054 70.372 28.160 0.71 25.97 H new ATOM 0 HG23BILE A 316 40.293 70.167 28.619 0.29 25.97 H new ATOM 0 HD11AILE A 316 39.775 66.954 30.417 0.71 15.89 H new ATOM 0 HD11BILE A 316 40.381 68.826 32.025 0.29 15.89 H new ATOM 0 HD12AILE A 316 38.412 67.113 29.626 0.71 15.89 H new ATOM 0 HD12BILE A 316 40.875 69.496 30.678 0.29 15.89 H new ATOM 0 HD13AILE A 316 39.782 67.490 28.927 0.71 15.89 H new ATOM 0 HD13BILE A 316 39.942 70.305 31.670 0.29 15.89 H new ATOM 383 N HIS A 317 38.316 72.843 28.139 1.00 20.35 N ANISOU 383 N HIS A 317 2891 1867 2972 -615 -883 1141 N ATOM 384 CA HIS A 317 37.832 73.650 27.035 1.00 21.82 C ANISOU 384 CA HIS A 317 3145 2003 3142 -572 -1015 1251 C ATOM 385 C HIS A 317 38.323 73.054 25.726 1.00 26.49 C ANISOU 385 C HIS A 317 3607 2856 3603 -715 -1057 1329 C ATOM 386 O HIS A 317 39.517 72.987 25.460 1.00 21.24 O ANISOU 386 O HIS A 317 2933 2333 2804 -896 -1012 1331 O ATOM 387 CB HIS A 317 38.275 75.101 27.216 1.00 23.96 C ANISOU 387 CB HIS A 317 3680 2069 3354 -619 -1058 1270 C ATOM 388 CG HIS A 317 37.799 75.692 28.503 1.00 39.17 C ANISOU 388 CG HIS A 317 5782 3731 5369 -461 -1000 1174 C ATOM 389 ND1 HIS A 317 36.490 76.075 28.702 1.00 36.76 N ANISOU 389 ND1 HIS A 317 5520 3247 5199 -170 -994 1172 N ATOM 390 CD2 HIS A 317 38.438 75.915 29.676 1.00 39.44 C ANISOU 390 CD2 HIS A 317 5951 3670 5364 -530 -939 1069 C ATOM 391 CE1 HIS A 317 36.348 76.528 29.934 1.00 35.76 C ANISOU 391 CE1 HIS A 317 5569 2912 5105 -57 -898 1064 C ATOM 392 NE2 HIS A 317 37.518 76.445 30.545 1.00 50.81 N ANISOU 392 NE2 HIS A 317 7551 4856 6897 -288 -881 998 N ATOM 0 H AHIS A 317 39.164 72.895 28.270 0.71 20.35 H new ATOM 0 H BHIS A 317 39.151 72.947 28.317 0.29 20.35 H new ATOM 0 HA HIS A 317 36.862 73.649 27.016 1.00 21.82 H new ATOM 0 HB2 HIS A 317 39.243 75.146 27.182 1.00 23.96 H new ATOM 0 HB3 HIS A 317 37.940 75.632 26.477 1.00 23.96 H new ATOM 0 HD2 HIS A 317 39.333 75.741 29.858 1.00 39.44 H new ATOM 0 HE1 HIS A 317 35.560 76.850 30.308 1.00 35.76 H new ATOM 0 HE2 HIS A 317 37.676 76.684 31.356 1.00 50.81 H new ATOM 400 N AARG A 318 37.380 72.601 24.910 0.58 21.83 N ANISOU 400 N AARG A 318 2899 2349 3047 -606 -1143 1378 N ATOM 401 N BARG A 318 37.368 72.635 24.907 0.42 21.88 N ANISOU 401 N BARG A 318 2910 2350 3055 -603 -1146 1379 N ATOM 402 CA AARG A 318 37.709 71.884 23.687 0.58 21.76 C ANISOU 402 CA AARG A 318 2792 2594 2881 -710 -1169 1412 C ATOM 403 CA BARG A 318 37.655 71.946 23.661 0.42 21.89 C ANISOU 403 CA BARG A 318 2814 2601 2901 -702 -1178 1416 C ATOM 404 C AARG A 318 38.510 72.756 22.736 0.58 23.50 C ANISOU 404 C AARG A 318 3154 2838 2936 -840 -1190 1506 C ATOM 405 C BARG A 318 38.435 72.826 22.694 0.42 23.66 C ANISOU 405 C BARG A 318 3183 2847 2960 -830 -1201 1512 C ATOM 406 O AARG A 318 38.208 73.934 22.538 0.58 25.49 O ANISOU 406 O AARG A 318 3562 2915 3206 -787 -1273 1582 O ATOM 407 O BARG A 318 39.406 72.376 22.087 0.42 25.79 O ANISOU 407 O BARG A 318 3410 3309 3079 -972 -1124 1521 O ATOM 408 CB AARG A 318 36.434 71.389 22.999 0.58 22.74 C ANISOU 408 CB AARG A 318 2776 2801 3064 -556 -1294 1393 C ATOM 409 CB BARG A 318 36.346 71.483 23.014 0.42 26.55 C ANISOU 409 CB BARG A 318 3265 3265 3559 -541 -1303 1397 C ATOM 410 CG AARG A 318 36.680 70.494 21.790 0.58 28.13 C ANISOU 410 CG AARG A 318 3394 3736 3557 -646 -1306 1357 C ATOM 411 CG BARG A 318 36.523 70.491 21.880 0.42 26.77 C ANISOU 411 CG BARG A 318 3207 3549 3415 -624 -1315 1350 C ATOM 412 CD AARG A 318 35.381 70.150 21.074 0.58 24.18 C ANISOU 412 CD AARG A 318 2778 3300 3108 -516 -1449 1297 C ATOM 413 CD BARG A 318 35.202 69.846 21.474 0.42 28.32 C ANISOU 413 CD BARG A 318 3232 3818 3711 -495 -1424 1248 C ATOM 414 NE AARG A 318 34.393 69.581 21.988 0.58 23.43 N ANISOU 414 NE AARG A 318 2472 3162 3270 -397 -1433 1180 N ATOM 415 NE BARG A 318 35.259 68.398 21.663 0.42 33.54 N ANISOU 415 NE BARG A 318 3741 4615 4389 -550 -1327 1075 N ATOM 416 CZ AARG A 318 34.347 68.302 22.349 0.58 30.68 C ANISOU 416 CZ AARG A 318 3234 4173 4248 -442 -1328 1017 C ATOM 417 CZ BARG A 318 34.577 67.711 22.575 0.42 27.58 C ANISOU 417 CZ BARG A 318 2802 3817 3859 -484 -1250 946 C ATOM 418 NH1AARG A 318 35.234 67.437 21.879 0.58 21.15 N ANISOU 418 NH1AARG A 318 2075 3107 2855 -576 -1250 949 N ATOM 419 NH1BARG A 318 33.731 68.309 23.407 0.42 22.83 N ANISOU 419 NH1BARG A 318 2112 3075 3490 -336 -1261 978 N ATOM 420 NH2AARG A 318 33.410 67.886 23.189 0.58 22.80 N ANISOU 420 NH2AARG A 318 2047 3119 3497 -340 -1266 920 N ATOM 421 NH2BARG A 318 34.738 66.401 22.647 0.42 76.24 N ANISOU 421 NH2BARG A 318 8887 10067 10012 -548 -1134 784 N ATOM 0 H AARG A 318 36.537 72.700 25.048 0.58 21.88 H new ATOM 0 H BARG A 318 36.529 72.744 25.061 0.42 21.88 H new ATOM 0 HA AARG A 318 38.255 71.120 23.929 0.58 21.89 H new ATOM 0 HA BARG A 318 38.209 71.176 23.866 0.42 21.89 H new ATOM 0 HB2AARG A 318 35.899 70.902 23.645 0.58 26.55 H new ATOM 0 HB2BARG A 318 35.786 71.081 23.696 0.42 26.55 H new ATOM 0 HB3AARG A 318 35.911 72.157 22.719 0.58 26.55 H new ATOM 0 HB3BARG A 318 35.872 72.260 22.678 0.42 26.55 H new ATOM 0 HG2AARG A 318 37.282 70.940 21.174 0.58 26.77 H new ATOM 0 HG2BARG A 318 36.910 70.942 21.114 0.42 26.77 H new ATOM 0 HG3AARG A 318 37.119 69.677 22.075 0.58 26.77 H new ATOM 0 HG3BARG A 318 37.149 69.801 22.150 0.42 26.77 H new ATOM 0 HD2AARG A 318 35.018 70.949 20.661 0.58 28.32 H new ATOM 0 HD2BARG A 318 34.478 70.218 22.002 0.42 28.32 H new ATOM 0 HD3AARG A 318 35.562 69.519 20.360 0.58 28.32 H new ATOM 0 HD3BARG A 318 35.009 70.049 20.545 0.42 28.32 H new ATOM 0 HE AARG A 318 33.800 70.110 22.315 0.58 33.54 H new ATOM 0 HE BARG A 318 35.777 67.953 21.141 0.42 33.54 H new ATOM 0 HH11AARG A 318 35.846 67.701 21.336 0.58 22.83 H new ATOM 0 HH11BARG A 318 33.614 69.160 23.363 0.42 22.83 H new ATOM 0 HH12AARG A 318 35.198 66.611 22.117 0.58 22.83 H new ATOM 0 HH12BARG A 318 33.300 67.845 23.989 0.42 22.83 H new ATOM 0 HH21AARG A 318 32.833 68.443 23.500 0.58 76.24 H new ATOM 0 HH21BARG A 318 35.278 66.004 22.108 0.42 76.24 H new ATOM 0 HH22AARG A 318 33.379 67.059 23.423 0.58 76.24 H new ATOM 0 HH22BARG A 318 34.303 65.946 23.233 0.42 76.24 H new ATOM 448 N AGLY A 319 39.541 72.166 22.145 0.58 23.08 N ANISOU 448 N AGLY A 319 3041 3000 2728 -987 -1100 1505 N ATOM 449 N BGLY A 319 38.021 74.083 22.565 0.42 25.75 N ANISOU 449 N BGLY A 319 3614 2912 3260 -755 -1291 1589 N ATOM 450 CA AGLY A 319 40.351 72.869 21.173 0.58 25.02 C ANISOU 450 CA AGLY A 319 3377 3303 2825 -1100 -1097 1607 C ATOM 451 CA BGLY A 319 38.550 74.948 21.528 0.42 34.95 C ANISOU 451 CA BGLY A 319 4914 4082 4282 -849 -1331 1712 C ATOM 452 C AGLY A 319 39.790 72.695 19.781 0.58 36.46 C ANISOU 452 C AGLY A 319 4855 4865 4133 -1040 -1172 1670 C ATOM 453 C BGLY A 319 38.390 74.260 20.188 0.42 36.52 C ANISOU 453 C BGLY A 319 5036 4516 4326 -850 -1367 1753 C ATOM 454 O AGLY A 319 38.657 72.248 19.607 0.58 26.54 O ANISOU 454 O AGLY A 319 3554 3613 2918 -903 -1274 1627 O ATOM 455 O BGLY A 319 37.290 73.829 19.834 0.42 28.88 O ANISOU 455 O BGLY A 319 3992 3593 3389 -698 -1469 1727 O ATOM 0 H AGLY A 319 39.786 71.356 22.296 0.58 25.75 H new ATOM 0 H BGLY A 319 37.432 74.451 23.072 0.42 25.75 H new ATOM 0 HA2AGLY A 319 40.386 73.812 21.397 0.58 34.95 H new ATOM 0 HA2BGLY A 319 38.081 75.797 21.528 0.42 34.95 H new ATOM 0 HA3AGLY A 319 41.262 72.536 21.203 0.58 34.95 H new ATOM 0 HA3BGLY A 319 39.486 75.141 21.697 0.42 34.95 H new ATOM 462 N ASER A 320 40.587 73.060 18.787 0.58 46.66 N ANISOU 462 N ASER A 320 6214 6258 5256 -1132 -1131 1768 N ATOM 463 N BSER A 320 39.485 74.157 19.444 0.42 46.85 N ANISOU 463 N BSER A 320 6355 5983 5462 -1009 -1282 1803 N ATOM 464 CA ASER A 320 40.243 72.798 17.401 0.58 39.52 C ANISOU 464 CA ASER A 320 5362 5497 4155 -1075 -1181 1816 C ATOM 465 CA BSER A 320 39.545 73.264 18.293 0.42 41.10 C ANISOU 465 CA BSER A 320 5569 5501 4546 -1010 -1263 1797 C ATOM 466 C ASER A 320 40.871 71.474 16.978 0.58 34.70 C ANISOU 466 C ASER A 320 4652 5140 3392 -1104 -1043 1722 C ATOM 467 C BSER A 320 40.182 71.954 18.762 0.42 40.57 C ANISOU 467 C BSER A 320 5340 5608 4466 -1071 -1116 1667 C ATOM 468 O ASER A 320 41.177 71.267 15.808 0.58 33.58 O ANISOU 468 O ASER A 320 4580 5151 3027 -1097 -1011 1763 O ATOM 469 O BSER A 320 39.845 71.449 19.829 0.42 44.27 O ANISOU 469 O BSER A 320 5714 6020 5087 -1034 -1100 1570 O ATOM 470 CB ASER A 320 40.719 73.942 16.506 0.58 53.29 C ANISOU 470 CB ASER A 320 7266 7203 5777 -1132 -1196 1994 C ATOM 471 CB BSER A 320 40.341 73.894 17.147 0.42 54.59 C ANISOU 471 CB BSER A 320 7396 7287 6060 -1099 -1228 1940 C ATOM 472 OG ASER A 320 42.088 74.236 16.735 0.58 47.85 O ANISOU 472 OG ASER A 320 6546 6555 5079 -1297 -1053 2042 O ATOM 473 OG BSER A 320 41.734 73.862 17.407 0.42 65.58 O ANISOU 473 OG BSER A 320 8728 8763 7428 -1260 -1069 1950 O ATOM 0 H ASER A 320 41.338 73.464 18.897 0.58 46.85 H new ATOM 0 H BSER A 320 40.208 74.598 19.590 0.42 46.85 H new ATOM 0 HA ASER A 320 39.279 72.737 17.309 0.58 41.10 H new ATOM 0 HA BSER A 320 38.654 73.097 17.947 0.42 41.10 H new ATOM 0 HB2ASER A 320 40.588 73.704 15.575 0.58 54.59 H new ATOM 0 HB2BSER A 320 40.153 73.420 16.322 0.42 54.59 H new ATOM 0 HB3ASER A 320 40.183 74.733 16.675 0.58 54.59 H new ATOM 0 HB3BSER A 320 40.055 74.812 17.019 0.42 54.59 H new ATOM 0 HG ASER A 320 42.328 74.865 16.233 0.58 65.58 H new ATOM 0 HG BSER A 320 42.147 74.211 16.765 0.42 65.58 H new ATOM 484 N ATHR A 321 41.061 70.581 17.949 0.58 49.75 N ANISOU 484 N ATHR A 321 6418 7081 5405 -1114 -954 1597 N ATOM 485 N BTHR A 321 41.089 71.399 17.965 0.42 50.35 N ANISOU 485 N BTHR A 321 6556 7058 5518 -1138 -996 1674 N ATOM 486 CA ATHR A 321 41.708 69.293 17.704 0.58 54.11 C ANISOU 486 CA ATHR A 321 6884 7848 5826 -1114 -803 1499 C ATOM 487 CA BTHR A 321 41.962 70.312 18.419 0.42 40.50 C ANISOU 487 CA BTHR A 321 5165 5969 4254 -1179 -825 1572 C ATOM 488 C ATHR A 321 41.097 68.159 18.538 0.58 45.44 C ANISOU 488 C ATHR A 321 5680 6757 4829 -1057 -803 1348 C ATOM 489 C BTHR A 321 41.253 69.009 18.811 0.42 42.91 C ANISOU 489 C BTHR A 321 5382 6335 4589 -1095 -825 1425 C ATOM 490 O ATHR A 321 41.325 66.983 18.255 0.58 61.75 O ANISOU 490 O ATHR A 321 7714 8980 6768 -1026 -713 1241 O ATOM 491 O BTHR A 321 41.570 67.944 18.283 0.42 55.91 O ANISOU 491 O BTHR A 321 7003 8161 6080 -1069 -732 1346 O ATOM 492 CB ATHR A 321 43.221 69.373 18.011 0.58 42.29 C ANISOU 492 CB ATHR A 321 5299 6438 4331 -1199 -621 1531 C ATOM 493 CB BTHR A 321 42.809 70.762 19.641 0.42 37.23 C ANISOU 493 CB BTHR A 321 4675 5471 3999 -1263 -763 1563 C ATOM 494 OG1ATHR A 321 43.788 70.505 17.340 0.58 67.33 O ANISOU 494 OG1ATHR A 321 8558 9589 7435 -1276 -631 1686 O ATOM 495 OG1BTHR A 321 41.966 70.953 20.786 0.42 24.07 O ANISOU 495 OG1BTHR A 321 3015 3610 2519 -1213 -847 1506 O ATOM 496 CG2ATHR A 321 43.942 68.112 17.553 0.58 35.21 C ANISOU 496 CG2ATHR A 321 4339 5761 3279 -1141 -444 1447 C ATOM 497 CG2BTHR A 321 43.545 72.061 19.336 0.42 37.24 C ANISOU 497 CG2BTHR A 321 4765 5405 3978 -1372 -787 1699 C ATOM 0 H ATHR A 321 40.819 70.704 18.765 0.58 50.35 H new ATOM 0 H BTHR A 321 41.218 71.638 17.149 0.42 50.35 H new ATOM 0 HA ATHR A 321 41.566 69.093 16.766 0.58 40.50 H new ATOM 0 HA BTHR A 321 42.507 70.119 17.640 0.42 40.50 H new ATOM 0 HB ATHR A 321 43.330 69.462 18.971 0.58 37.23 H new ATOM 0 HB BTHR A 321 43.458 70.067 19.830 0.42 37.23 H new ATOM 0 HG1ATHR A 321 44.610 70.548 17.509 0.58 24.07 H new ATOM 0 HG1BTHR A 321 41.375 71.523 20.607 0.42 24.07 H new ATOM 0 HG21ATHR A 321 44.887 68.187 17.757 0.58 37.24 H new ATOM 0 HG21BTHR A 321 44.068 72.326 20.109 0.42 37.24 H new ATOM 0 HG22ATHR A 321 43.573 67.342 18.014 0.58 37.24 H new ATOM 0 HG22BTHR A 321 44.135 71.929 18.577 0.42 37.24 H new ATOM 0 HG23ATHR A 321 43.826 68.002 16.596 0.58 37.24 H new ATOM 0 HG23BTHR A 321 42.902 72.756 19.127 0.42 37.24 H new ATOM 512 N AGLY A 322 40.318 68.510 19.556 0.58 47.81 N ANISOU 512 N AGLY A 322 6288 5718 6159 -117 -1427 664 N ATOM 513 N BGLY A 322 40.305 69.098 19.738 0.42 47.02 N ANISOU 513 N BGLY A 322 6198 5571 6094 -87 -1420 701 N ATOM 514 CA AGLY A 322 39.786 67.525 20.483 0.58 39.09 C ANISOU 514 CA AGLY A 322 5000 4632 5221 -110 -1387 562 C ATOM 515 CA BGLY A 322 39.765 67.926 20.413 0.42 47.07 C ANISOU 515 CA BGLY A 322 6032 5621 6231 -92 -1400 591 C ATOM 516 C AGLY A 322 40.325 67.742 21.885 0.58 31.12 C ANISOU 516 C AGLY A 322 3933 3566 4326 -102 -1240 551 C ATOM 517 C BGLY A 322 39.854 68.155 21.912 0.42 17.51 C ANISOU 517 C BGLY A 322 2177 1809 2666 -58 -1274 567 C ATOM 518 O AGLY A 322 41.157 68.625 22.102 0.58 17.84 O ANISOU 518 O AGLY A 322 2361 1835 2584 -114 -1175 615 O ATOM 519 O BGLY A 322 39.775 69.296 22.351 0.42 19.49 O ANISOU 519 O BGLY A 322 2441 1966 2999 7 -1253 620 O ATOM 0 H AGLY A 322 40.086 69.320 19.726 0.58 47.02 H new ATOM 0 H BGLY A 322 39.957 69.842 19.993 0.42 47.02 H new ATOM 0 HA2AGLY A 322 38.818 67.578 20.494 0.58 47.07 H new ATOM 0 HA2BGLY A 322 38.844 67.778 20.148 0.42 47.07 H new ATOM 0 HA3AGLY A 322 40.018 66.633 20.179 0.58 47.07 H new ATOM 0 HA3BGLY A 322 40.263 67.132 20.162 0.42 47.07 H new ATOM 525 N ALEU A 323 39.867 66.934 22.837 0.58 15.64 N ANISOU 525 N ALEU A 323 1806 1617 2519 -97 -1176 470 N ATOM 526 N BLEU A 323 40.028 67.096 22.699 0.42 33.43 N ANISOU 526 N BLEU A 323 4094 3867 4740 -100 -1182 486 N ATOM 527 CA ALEU A 323 40.158 67.200 24.246 0.58 14.36 C ANISOU 527 CA ALEU A 323 1563 1410 2482 -78 -1043 460 C ATOM 528 CA BLEU A 323 40.179 67.256 24.148 0.42 14.44 C ANISOU 528 CA BLEU A 323 1587 1420 2480 -78 -1052 466 C ATOM 529 C ALEU A 323 41.567 66.796 24.678 0.58 14.37 C ANISOU 529 C ALEU A 323 1653 1465 2342 -163 -890 451 C ATOM 530 C BLEU A 323 41.570 66.853 24.635 0.42 13.74 C ANISOU 530 C BLEU A 323 1580 1383 2259 -161 -896 455 C ATOM 531 O ALEU A 323 41.978 67.089 25.801 0.58 18.31 O ANISOU 531 O ALEU A 323 2126 1951 2881 -170 -743 432 O ATOM 532 O BLEU A 323 41.964 67.191 25.753 0.42 11.92 O ANISOU 532 O BLEU A 323 1323 1135 2070 -167 -751 437 O ATOM 533 CB ALEU A 323 39.135 66.489 25.130 0.58 14.38 C ANISOU 533 CB ALEU A 323 1365 1422 2678 -56 -977 372 C ATOM 534 CB BLEU A 323 39.118 66.444 24.891 0.42 14.54 C ANISOU 534 CB BLEU A 323 1401 1448 2676 -60 -1001 375 C ATOM 535 CG ALEU A 323 37.679 66.894 24.908 0.58 16.31 C ANISOU 535 CG ALEU A 323 1491 1637 3068 26 -1058 356 C ATOM 536 CG BLEU A 323 37.665 66.877 24.691 0.42 16.47 C ANISOU 536 CG BLEU A 323 1526 1663 3068 23 -1083 362 C ATOM 537 CD1ALEU A 323 36.769 66.037 25.769 0.58 16.45 C ANISOU 537 CD1ALEU A 323 1331 1683 3236 13 -957 267 C ATOM 538 CD1BLEU A 323 36.738 65.934 25.438 0.42 26.50 C ANISOU 538 CD1BLEU A 323 2621 2968 4482 6 -995 271 C ATOM 539 CD2ALEU A 323 37.458 68.372 25.200 0.58 17.23 C ANISOU 539 CD2ALEU A 323 1614 1653 3278 131 -1065 409 C ATOM 540 CD2BLEU A 323 37.440 68.315 25.144 0.42 18.26 C ANISOU 540 CD2BLEU A 323 1745 1789 3403 128 -1071 408 C ATOM 0 H ALEU A 323 39.391 66.233 22.692 0.58 33.43 H new ATOM 0 H BLEU A 323 40.062 66.283 22.420 0.42 33.43 H new ATOM 0 HA ALEU A 323 40.102 68.162 24.353 0.58 14.44 H new ATOM 0 HA BLEU A 323 40.061 68.199 24.340 0.42 14.44 H new ATOM 0 HB2ALEU A 323 39.214 65.533 24.985 0.58 14.54 H new ATOM 0 HB2BLEU A 323 39.199 65.517 24.618 0.42 14.54 H new ATOM 0 HB3ALEU A 323 39.362 66.655 26.058 0.58 14.54 H new ATOM 0 HB3BLEU A 323 39.318 66.479 25.840 0.42 14.54 H new ATOM 0 HG ALEU A 323 37.464 66.748 23.974 0.58 16.47 H new ATOM 0 HG BLEU A 323 37.467 66.836 23.742 0.42 16.47 H new ATOM 0 HD11ALEU A 323 35.846 66.298 25.624 0.58 26.50 H new ATOM 0 HD11BLEU A 323 35.818 66.213 25.308 0.42 26.50 H new ATOM 0 HD12ALEU A 323 36.882 65.104 25.530 0.58 26.50 H new ATOM 0 HD12BLEU A 323 36.853 65.032 25.100 0.42 26.50 H new ATOM 0 HD13ALEU A 323 36.997 66.161 26.704 0.58 26.50 H new ATOM 0 HD13BLEU A 323 36.950 65.953 26.384 0.42 26.50 H new ATOM 0 HD21ALEU A 323 36.526 68.596 25.050 0.58 18.26 H new ATOM 0 HD21BLEU A 323 36.511 68.557 25.004 0.42 18.26 H new ATOM 0 HD22ALEU A 323 37.690 68.558 26.123 0.58 18.26 H new ATOM 0 HD22BLEU A 323 37.656 68.395 26.086 0.42 18.26 H new ATOM 0 HD23ALEU A 323 38.017 68.905 24.613 0.58 18.26 H new ATOM 0 HD23BLEU A 323 38.009 68.909 24.631 0.42 18.26 H new ATOM 563 N GLY A 324 42.312 66.133 23.804 1.00 13.29 N ANISOU 563 N GLY A 324 1621 1400 2030 -227 -905 450 N ATOM 564 CA GLY A 324 43.702 65.835 24.097 1.00 12.40 C ANISOU 564 CA GLY A 324 1575 1350 1787 -289 -749 444 C ATOM 565 C GLY A 324 43.994 64.731 25.102 1.00 12.74 C ANISOU 565 C GLY A 324 1517 1435 1890 -297 -613 384 C ATOM 566 O GLY A 324 44.967 64.800 25.846 1.00 13.80 O ANISOU 566 O GLY A 324 1650 1615 1977 -320 -488 397 O ATOM 0 H AGLY A 324 42.033 65.849 23.042 0.58 13.29 H new ATOM 0 H BGLY A 324 42.026 65.807 23.062 0.42 13.29 H new ATOM 0 HA2 GLY A 324 44.139 65.602 23.263 1.00 12.40 H new ATOM 0 HA3 GLY A 324 44.120 66.649 24.419 1.00 12.40 H new ATOM 570 N PHE A 325 43.165 63.700 25.130 1.00 10.73 N ANISOU 570 N PHE A 325 1177 1164 1737 -286 -644 326 N ATOM 571 CA PHE A 325 43.519 62.522 25.908 1.00 10.06 C ANISOU 571 CA PHE A 325 1037 1096 1690 -296 -517 292 C ATOM 572 C PHE A 325 42.909 61.275 25.301 1.00 10.82 C ANISOU 572 C PHE A 325 1120 1158 1832 -319 -566 221 C ATOM 573 O PHE A 325 41.980 61.353 24.490 1.00 12.35 O ANISOU 573 O PHE A 325 1304 1334 2056 -336 -712 188 O ATOM 574 CB PHE A 325 43.101 62.682 27.381 1.00 9.59 C ANISOU 574 CB PHE A 325 866 1021 1756 -281 -423 302 C ATOM 575 CG PHE A 325 41.614 62.758 27.602 1.00 10.64 C ANISOU 575 CG PHE A 325 878 1100 2066 -267 -479 266 C ATOM 576 CD1 PHE A 325 40.958 63.973 27.603 1.00 11.54 C ANISOU 576 CD1 PHE A 325 955 1179 2250 -221 -543 277 C ATOM 577 CD2 PHE A 325 40.888 61.612 27.840 1.00 10.84 C ANISOU 577 CD2 PHE A 325 842 1104 2174 -282 -439 219 C ATOM 578 CE1 PHE A 325 39.599 64.054 27.825 1.00 12.01 C ANISOU 578 CE1 PHE A 325 895 1204 2463 -178 -563 238 C ATOM 579 CE2 PHE A 325 39.522 61.674 28.051 1.00 11.86 C ANISOU 579 CE2 PHE A 325 871 1211 2425 -261 -452 177 C ATOM 580 CZ PHE A 325 38.872 62.898 28.053 1.00 12.46 C ANISOU 580 CZ PHE A 325 890 1271 2573 -204 -509 185 C ATOM 0 H PHE A 325 42.411 63.659 24.718 1.00 10.73 H new ATOM 0 HA PHE A 325 44.484 62.427 25.885 1.00 10.06 H new ATOM 0 HB2 PHE A 325 43.454 61.935 27.889 1.00 9.59 H new ATOM 0 HB3 PHE A 325 43.511 63.486 27.736 1.00 9.59 H new ATOM 0 HD1 PHE A 325 41.442 64.752 27.451 1.00 11.54 H new ATOM 0 HD2 PHE A 325 41.320 60.789 27.859 1.00 10.84 H new ATOM 0 HE1 PHE A 325 39.173 64.881 27.822 1.00 12.01 H new ATOM 0 HE2 PHE A 325 39.039 60.892 28.192 1.00 11.86 H new ATOM 0 HZ PHE A 325 37.956 62.942 28.206 1.00 12.46 H new ATOM 590 N AASN A 326 43.436 60.123 25.696 0.49 10.57 N ANISOU 590 N AASN A 326 1093 1113 1811 -322 -452 199 N ATOM 591 N BASN A 326 43.467 60.126 25.679 0.51 10.48 N ANISOU 591 N BASN A 326 1085 1103 1795 -322 -451 200 N ATOM 592 CA AASN A 326 42.900 58.851 25.245 0.49 11.43 C ANISOU 592 CA AASN A 326 1208 1153 1982 -361 -469 118 C ATOM 593 CA BASN A 326 42.964 58.825 25.256 0.51 11.40 C ANISOU 593 CA BASN A 326 1209 1150 1975 -359 -462 119 C ATOM 594 C AASN A 326 42.409 58.049 26.437 0.49 13.10 C ANISOU 594 C AASN A 326 1325 1298 2353 -372 -368 130 C ATOM 595 C BASN A 326 42.371 58.086 26.450 0.51 13.21 C ANISOU 595 C BASN A 326 1334 1313 2370 -373 -371 131 C ATOM 596 O AASN A 326 42.872 58.246 27.561 0.49 10.97 O ANISOU 596 O AASN A 326 1020 1056 2091 -337 -262 207 O ATOM 597 O BASN A 326 42.737 58.356 27.593 0.51 10.60 O ANISOU 597 O BASN A 326 961 1011 2054 -340 -270 206 O ATOM 598 CB AASN A 326 43.952 58.069 24.466 0.49 11.80 C ANISOU 598 CB AASN A 326 1382 1197 1905 -350 -408 73 C ATOM 599 CB BASN A 326 44.077 57.983 24.629 0.51 11.69 C ANISOU 599 CB BASN A 326 1363 1180 1898 -342 -383 81 C ATOM 600 CG AASN A 326 44.423 58.812 23.241 0.49 12.23 C ANISOU 600 CG AASN A 326 1546 1327 1774 -362 -485 61 C ATOM 601 CG BASN A 326 44.690 58.640 23.415 0.51 21.86 C ANISOU 601 CG BASN A 326 2764 2545 2997 -349 -442 65 C ATOM 602 OD1AASN A 326 45.495 59.426 23.245 0.49 11.61 O ANISOU 602 OD1AASN A 326 1505 1323 1585 -333 -417 118 O ATOM 603 OD1BASN A 326 44.083 59.515 22.800 0.51 16.89 O ANISOU 603 OD1BASN A 326 2152 1945 2319 -380 -582 77 O ATOM 604 ND2AASN A 326 43.613 58.786 22.189 0.49 16.90 N ANISOU 604 ND2AASN A 326 2188 1911 2322 -420 -634 -7 N ATOM 605 ND2BASN A 326 45.903 58.222 23.061 0.51 13.18 N ANISOU 605 ND2BASN A 326 1739 1477 1791 -315 -328 49 N ATOM 0 H AASN A 326 44.108 60.058 26.228 0.49 10.48 H new ATOM 0 H BASN A 326 44.155 60.082 26.193 0.51 10.48 H new ATOM 0 HA AASN A 326 42.152 59.019 24.650 0.49 11.40 H new ATOM 0 HA BASN A 326 42.276 58.969 24.588 0.51 11.40 H new ATOM 0 HB2AASN A 326 44.710 57.887 25.043 0.49 11.69 H new ATOM 0 HB2BASN A 326 44.769 57.824 25.290 0.51 11.69 H new ATOM 0 HB3AASN A 326 43.585 57.211 24.201 0.49 11.69 H new ATOM 0 HB3BASN A 326 43.720 57.117 24.378 0.51 11.69 H new ATOM 0 HD21AASN A 326 43.827 59.209 21.471 0.49 13.18 H new ATOM 0 HD21BASN A 326 46.294 58.567 22.377 0.51 13.18 H new ATOM 0 HD22AASN A 326 42.875 58.347 22.226 0.49 13.18 H new ATOM 0 HD22BASN A 326 46.296 57.607 23.516 0.51 13.18 H new ATOM 618 N ILE A 327 41.465 57.151 26.175 1.00 14.15 N ANISOU 618 N ILE A 327 1425 1352 2600 -441 -404 56 N ATOM 619 CA ILE A 327 40.840 56.357 27.223 1.00 13.17 C ANISOU 619 CA ILE A 327 1227 1163 2615 -473 -297 70 C ATOM 620 C ILE A 327 40.960 54.865 26.931 1.00 14.28 C ANISOU 620 C ILE A 327 1447 1166 2813 -528 -242 13 C ATOM 621 O ILE A 327 41.034 54.429 25.771 1.00 15.16 O ANISOU 621 O ILE A 327 1649 1237 2877 -566 -317 -90 O ATOM 622 CB ILE A 327 39.345 56.739 27.411 1.00 15.99 C ANISOU 622 CB ILE A 327 1470 1569 3035 -488 -341 36 C ATOM 623 CG1 ILE A 327 38.584 56.616 26.088 1.00 18.63 C ANISOU 623 CG1 ILE A 327 1799 1911 3368 -546 -503 -59 C ATOM 624 CG2 ILE A 327 39.221 58.151 27.971 1.00 13.86 C ANISOU 624 CG2 ILE A 327 1142 1381 2744 -411 -343 89 C ATOM 625 CD1 ILE A 327 37.063 56.696 26.242 1.00 22.10 C ANISOU 625 CD1 ILE A 327 2101 2391 3906 -576 -537 -92 C ATOM 0 H AILE A 327 41.170 56.986 25.384 0.49 14.15 H new ATOM 0 H BILE A 327 41.198 56.961 25.380 0.51 14.15 H new ATOM 0 HA ILE A 327 41.313 56.552 28.047 1.00 13.17 H new ATOM 0 HB ILE A 327 38.951 56.121 28.046 1.00 15.99 H new ATOM 0 HG12 ILE A 327 38.878 57.320 25.489 1.00 18.63 H new ATOM 0 HG13 ILE A 327 38.815 55.772 25.669 1.00 18.63 H new ATOM 0 HG21 ILE A 327 38.284 58.374 28.082 1.00 13.86 H new ATOM 0 HG22 ILE A 327 39.669 58.199 28.830 1.00 13.86 H new ATOM 0 HG23 ILE A 327 39.632 58.780 27.357 1.00 13.86 H new ATOM 0 HD11 ILE A 327 36.644 56.612 25.371 1.00 22.10 H new ATOM 0 HD12 ILE A 327 36.758 55.978 26.818 1.00 22.10 H new ATOM 0 HD13 ILE A 327 36.822 57.549 26.635 1.00 22.10 H new ATOM 637 N VAL A 328 40.984 54.087 28.006 1.00 14.13 N ANISOU 637 N VAL A 328 1431 1090 2850 -517 -99 78 N ATOM 638 CA VAL A 328 40.951 52.639 27.919 1.00 15.56 C ANISOU 638 CA VAL A 328 1700 1114 3097 -560 -24 41 C ATOM 639 C VAL A 328 39.890 52.142 28.895 1.00 16.50 C ANISOU 639 C VAL A 328 1760 1233 3277 -619 45 72 C ATOM 640 O VAL A 328 39.352 52.923 29.695 1.00 15.94 O ANISOU 640 O VAL A 328 1587 1277 3193 -605 58 118 O ATOM 641 CB VAL A 328 42.331 52.002 28.215 1.00 15.40 C ANISOU 641 CB VAL A 328 1786 991 3073 -460 93 124 C ATOM 642 CG1 VAL A 328 43.368 52.486 27.203 1.00 17.23 C ANISOU 642 CG1 VAL A 328 2087 1306 3153 -371 45 73 C ATOM 643 CG2 VAL A 328 42.786 52.317 29.636 1.00 15.75 C ANISOU 643 CG2 VAL A 328 1784 1123 3077 -381 181 291 C ATOM 0 H VAL A 328 41.020 54.389 28.810 1.00 14.13 H new ATOM 0 HA VAL A 328 40.729 52.374 27.013 1.00 15.56 H new ATOM 0 HB VAL A 328 42.242 51.039 28.134 1.00 15.40 H new ATOM 0 HG11 VAL A 328 44.227 52.080 27.400 1.00 17.23 H new ATOM 0 HG12 VAL A 328 43.089 52.235 26.309 1.00 17.23 H new ATOM 0 HG13 VAL A 328 43.447 53.451 27.257 1.00 17.23 H new ATOM 0 HG21 VAL A 328 43.651 51.908 29.797 1.00 15.75 H new ATOM 0 HG22 VAL A 328 42.857 53.278 29.748 1.00 15.75 H new ATOM 0 HG23 VAL A 328 42.140 51.966 30.268 1.00 15.75 H new ATOM 653 N GLY A 329 39.591 50.847 28.823 1.00 18.27 N ANISOU 653 N GLY A 329 2061 1314 3565 -691 99 37 N ATOM 654 CA GLY A 329 38.603 50.235 29.689 1.00 19.60 C ANISOU 654 CA GLY A 329 2191 1461 3796 -776 171 68 C ATOM 655 C GLY A 329 37.252 50.066 29.013 1.00 23.88 C ANISOU 655 C GLY A 329 2656 2021 4397 -919 85 -52 C ATOM 656 O GLY A 329 37.159 49.926 27.791 1.00 23.66 O ANISOU 656 O GLY A 329 2665 1967 4359 -973 -23 -170 O ATOM 0 H GLY A 329 39.959 50.302 28.268 1.00 18.27 H new ATOM 0 HA2 GLY A 329 38.926 49.367 29.979 1.00 19.60 H new ATOM 0 HA3 GLY A 329 38.496 50.778 30.485 1.00 19.60 H new ATOM 660 N GLY A 330 36.196 50.070 29.815 1.00 26.88 N ANISOU 660 N GLY A 330 2928 2456 4830 -989 132 -24 N ATOM 661 CA GLY A 330 34.843 50.111 29.285 1.00 23.88 C ANISOU 661 CA GLY A 330 2421 2137 4515 -1115 46 -120 C ATOM 662 C GLY A 330 34.176 48.760 29.129 1.00 26.49 C ANISOU 662 C GLY A 330 2802 2338 4925 -1288 73 -168 C ATOM 663 O GLY A 330 32.986 48.692 28.817 1.00 29.37 O ANISOU 663 O GLY A 330 3043 2763 5353 -1417 10 -236 O ATOM 0 H GLY A 330 36.243 50.049 30.673 1.00 26.88 H new ATOM 0 HA2 GLY A 330 34.298 50.660 29.869 1.00 23.88 H new ATOM 0 HA3 GLY A 330 34.862 50.549 28.420 1.00 23.88 H new ATOM 667 N GLU A 331 34.931 47.687 29.354 1.00 26.84 N ANISOU 667 N GLU A 331 3024 2201 4973 -1288 164 -127 N ATOM 668 CA GLU A 331 34.395 46.330 29.239 1.00 29.60 C ANISOU 668 CA GLU A 331 3459 2384 5405 -1451 197 -164 C ATOM 669 C GLU A 331 33.777 45.870 30.560 1.00 30.89 C ANISOU 669 C GLU A 331 3579 2527 5630 -1522 332 -51 C ATOM 670 O GLU A 331 34.440 45.876 31.597 1.00 34.05 O ANISOU 670 O GLU A 331 4038 2909 5991 -1420 444 83 O ATOM 671 CB GLU A 331 35.505 45.358 28.821 1.00 31.70 C ANISOU 671 CB GLU A 331 3952 2432 5660 -1395 235 -175 C ATOM 672 CG GLU A 331 35.112 44.357 27.755 1.00 64.03 C ANISOU 672 CG GLU A 331 8152 6375 9800 -1546 164 -321 C ATOM 673 CD GLU A 331 36.081 43.190 27.680 1.00 81.60 C ANISOU 673 CD GLU A 331 10605 8342 12056 -1479 253 -314 C ATOM 674 OE1 GLU A 331 35.621 42.048 27.472 1.00 73.25 O ANISOU 674 OE1 GLU A 331 9645 7101 11083 -1615 266 -371 O ATOM 675 OE2 GLU A 331 37.301 43.416 27.832 1.00 79.29 O ANISOU 675 OE2 GLU A 331 10386 8028 11712 -1286 310 -250 O ATOM 0 H GLU A 331 35.761 47.723 29.576 1.00 26.84 H new ATOM 0 HA GLU A 331 33.701 46.338 28.561 1.00 29.60 H new ATOM 0 HB2 GLU A 331 36.262 45.872 28.499 1.00 31.70 H new ATOM 0 HB3 GLU A 331 35.804 44.873 29.606 1.00 31.70 H new ATOM 0 HG2 GLU A 331 34.220 44.024 27.940 1.00 64.03 H new ATOM 0 HG3 GLU A 331 35.076 44.801 26.894 1.00 64.03 H new ATOM 682 N ASP A 332 32.507 45.475 30.519 1.00 39.09 N ANISOU 682 N ASP A 332 4515 3581 6758 -1709 316 -101 N ATOM 683 CA ASP A 332 31.850 44.863 31.672 1.00 35.56 C ANISOU 683 CA ASP A 332 4041 3093 6378 -1818 451 -3 C ATOM 684 C ASP A 332 31.922 45.727 32.930 1.00 35.39 C ANISOU 684 C ASP A 332 3933 3218 6297 -1711 555 116 C ATOM 685 O ASP A 332 32.148 45.216 34.028 1.00 34.76 O ANISOU 685 O ASP A 332 3939 3070 6199 -1718 688 246 O ATOM 686 CB ASP A 332 32.469 43.492 31.961 1.00 42.95 C ANISOU 686 CB ASP A 332 5205 3770 7344 -1848 543 69 C ATOM 687 CG ASP A 332 32.144 42.463 30.892 1.00 62.05 C ANISOU 687 CG ASP A 332 7715 6013 9846 -2001 465 -58 C ATOM 688 OD1 ASP A 332 30.965 42.373 30.488 1.00 58.99 O ANISOU 688 OD1 ASP A 332 7194 5686 9533 -2189 396 -147 O ATOM 689 OD2 ASP A 332 33.066 41.743 30.455 1.00 67.70 O ANISOU 689 OD2 ASP A 332 8634 6532 10557 -1932 471 -74 O ATOM 0 H ASP A 332 32.004 45.553 29.826 1.00 39.09 H new ATOM 0 HA ASP A 332 30.913 44.770 31.440 1.00 35.56 H new ATOM 0 HB2 ASP A 332 33.432 43.585 32.033 1.00 42.95 H new ATOM 0 HB3 ASP A 332 32.150 43.172 32.820 1.00 42.95 H new ATOM 694 N GLY A 333 31.731 47.035 32.767 1.00 33.50 N ANISOU 694 N GLY A 333 3537 3172 6019 -1615 489 71 N ATOM 695 CA GLY A 333 31.683 47.946 33.900 1.00 38.04 C ANISOU 695 CA GLY A 333 4027 3888 6540 -1526 581 151 C ATOM 696 C GLY A 333 32.991 48.108 34.656 1.00 49.54 C ANISOU 696 C GLY A 333 5635 5316 7871 -1379 650 268 C ATOM 697 O GLY A 333 33.008 48.519 35.817 1.00 29.79 O ANISOU 697 O GLY A 333 3117 2898 5304 -1348 751 355 O ATOM 0 H GLY A 333 31.627 47.414 32.002 1.00 33.50 H new ATOM 0 HA2 GLY A 333 31.399 48.818 33.584 1.00 38.04 H new ATOM 0 HA3 GLY A 333 31.005 47.634 34.519 1.00 38.04 H new ATOM 701 N GLU A 334 34.101 47.798 33.998 1.00 29.36 N ANISOU 701 N GLU A 334 3222 2655 5279 -1291 593 269 N ATOM 702 CA GLU A 334 35.405 47.908 34.635 1.00 37.32 C ANISOU 702 CA GLU A 334 4356 3645 6179 -1148 642 386 C ATOM 703 C GLU A 334 35.811 49.370 34.798 1.00 30.81 C ANISOU 703 C GLU A 334 3447 2996 5262 -1018 602 380 C ATOM 704 O GLU A 334 36.682 49.692 35.600 1.00 23.00 O ANISOU 704 O GLU A 334 2521 2051 4166 -925 648 480 O ATOM 705 CB GLU A 334 36.458 47.159 33.825 1.00 32.01 C ANISOU 705 CB GLU A 334 3840 2808 5515 -1080 602 382 C ATOM 706 CG GLU A 334 36.682 47.725 32.425 1.00 26.11 C ANISOU 706 CG GLU A 334 3055 2091 4773 -1037 470 246 C ATOM 707 CD GLU A 334 37.484 46.789 31.547 1.00 28.63 C ANISOU 707 CD GLU A 334 3535 2225 5120 -1008 450 207 C ATOM 708 OE1 GLU A 334 37.942 45.746 32.060 1.00 28.11 O ANISOU 708 OE1 GLU A 334 3603 1999 5077 -991 538 297 O ATOM 709 OE2 GLU A 334 37.646 47.088 30.343 1.00 25.01 O ANISOU 709 OE2 GLU A 334 3076 1774 4653 -1000 348 84 O ATOM 0 H GLU A 334 34.121 47.523 33.184 1.00 29.36 H new ATOM 0 HA GLU A 334 35.343 47.508 35.516 1.00 37.32 H new ATOM 0 HB2 GLU A 334 37.298 47.177 34.309 1.00 32.01 H new ATOM 0 HB3 GLU A 334 36.194 46.229 33.749 1.00 32.01 H new ATOM 0 HG2 GLU A 334 35.824 47.900 32.008 1.00 26.11 H new ATOM 0 HG3 GLU A 334 37.143 48.576 32.493 1.00 26.11 H new ATOM 716 N GLY A 335 35.182 50.246 34.020 1.00 23.06 N ANISOU 716 N GLY A 335 2329 2113 4319 -1016 505 265 N ATOM 717 CA GLY A 335 35.439 51.673 34.113 1.00 21.16 C ANISOU 717 CA GLY A 335 2014 2015 4011 -900 463 252 C ATOM 718 C GLY A 335 36.235 52.228 32.949 1.00 19.47 C ANISOU 718 C GLY A 335 1827 1803 3769 -807 334 201 C ATOM 719 O GLY A 335 36.878 51.482 32.213 1.00 19.52 O ANISOU 719 O GLY A 335 1932 1701 3783 -809 300 191 O ATOM 0 H GLY A 335 34.598 50.029 33.427 1.00 23.06 H new ATOM 0 HA2 GLY A 335 34.592 52.143 34.168 1.00 21.16 H new ATOM 0 HA3 GLY A 335 35.918 51.854 34.937 1.00 21.16 H new ATOM 723 N ILE A 336 36.178 53.552 32.811 1.00 18.26 N ANISOU 723 N ILE A 336 1592 1764 3583 -729 273 171 N ATOM 724 CA ILE A 336 36.849 54.305 31.760 1.00 16.83 C ANISOU 724 CA ILE A 336 1427 1606 3364 -649 149 136 C ATOM 725 C ILE A 336 38.014 55.052 32.390 1.00 15.14 C ANISOU 725 C ILE A 336 1274 1444 3036 -550 187 213 C ATOM 726 O ILE A 336 37.812 55.820 33.321 1.00 14.92 O ANISOU 726 O ILE A 336 1208 1494 2967 -526 245 234 O ATOM 727 CB ILE A 336 35.884 55.294 31.072 1.00 17.18 C ANISOU 727 CB ILE A 336 1340 1725 3462 -637 35 59 C ATOM 728 CG1 ILE A 336 34.691 54.555 30.459 1.00 19.24 C ANISOU 728 CG1 ILE A 336 1517 1965 3828 -751 -19 -17 C ATOM 729 CG2 ILE A 336 36.620 56.142 30.026 1.00 15.91 C ANISOU 729 CG2 ILE A 336 1218 1586 3239 -560 -98 45 C ATOM 730 CD1 ILE A 336 35.031 53.644 29.288 1.00 19.76 C ANISOU 730 CD1 ILE A 336 1674 1949 3886 -821 -107 -75 C ATOM 0 H ILE A 336 35.730 54.052 33.348 1.00 18.26 H new ATOM 0 HA ILE A 336 37.166 53.695 31.076 1.00 16.83 H new ATOM 0 HB ILE A 336 35.539 55.899 31.747 1.00 17.18 H new ATOM 0 HG12 ILE A 336 34.266 54.025 31.151 1.00 19.24 H new ATOM 0 HG13 ILE A 336 34.039 55.210 30.163 1.00 19.24 H new ATOM 0 HG21 ILE A 336 35.995 56.755 29.608 1.00 15.91 H new ATOM 0 HG22 ILE A 336 37.327 56.647 30.458 1.00 15.91 H new ATOM 0 HG23 ILE A 336 37.004 55.561 29.350 1.00 15.91 H new ATOM 0 HD11 ILE A 336 34.222 53.219 28.963 1.00 19.76 H new ATOM 0 HD12 ILE A 336 35.429 54.168 28.575 1.00 19.76 H new ATOM 0 HD13 ILE A 336 35.659 52.964 29.578 1.00 19.76 H new ATOM 742 N PHE A 337 39.222 54.835 31.876 1.00 14.24 N ANISOU 742 N PHE A 337 1249 1291 2869 -504 157 247 N ATOM 743 CA PHE A 337 40.425 55.407 32.468 1.00 12.97 C ANISOU 743 CA PHE A 337 1138 1193 2598 -426 189 330 C ATOM 744 C PHE A 337 41.215 56.197 31.441 1.00 11.85 C ANISOU 744 C PHE A 337 1007 1082 2412 -380 89 311 C ATOM 745 O PHE A 337 41.273 55.825 30.272 1.00 13.17 O ANISOU 745 O PHE A 337 1197 1185 2622 -402 14 258 O ATOM 746 CB PHE A 337 41.323 54.314 33.048 1.00 14.49 C ANISOU 746 CB PHE A 337 1419 1322 2765 -404 273 434 C ATOM 747 CG PHE A 337 40.698 53.551 34.178 1.00 16.39 C ANISOU 747 CG PHE A 337 1677 1532 3018 -458 374 483 C ATOM 748 CD1 PHE A 337 39.832 52.503 33.924 1.00 17.45 C ANISOU 748 CD1 PHE A 337 1820 1552 3258 -543 400 446 C ATOM 749 CD2 PHE A 337 40.990 53.872 35.492 1.00 16.90 C ANISOU 749 CD2 PHE A 337 1761 1688 2974 -445 441 566 C ATOM 750 CE1 PHE A 337 39.257 51.805 34.954 1.00 21.04 C ANISOU 750 CE1 PHE A 337 2297 1978 3719 -612 499 504 C ATOM 751 CE2 PHE A 337 40.417 53.174 36.524 1.00 17.12 C ANISOU 751 CE2 PHE A 337 1818 1692 2994 -513 536 620 C ATOM 752 CZ PHE A 337 39.548 52.142 36.257 1.00 17.70 C ANISOU 752 CZ PHE A 337 1896 1646 3183 -596 569 597 C ATOM 0 H PHE A 337 39.366 54.354 31.178 1.00 14.24 H new ATOM 0 HA PHE A 337 40.139 56.001 33.180 1.00 12.97 H new ATOM 0 HB2 PHE A 337 41.559 53.693 32.341 1.00 14.49 H new ATOM 0 HB3 PHE A 337 42.149 54.717 33.359 1.00 14.49 H new ATOM 0 HD1 PHE A 337 39.638 52.269 33.045 1.00 17.45 H new ATOM 0 HD2 PHE A 337 41.580 54.567 35.677 1.00 16.90 H new ATOM 0 HE1 PHE A 337 38.672 51.105 34.773 1.00 21.04 H new ATOM 0 HE2 PHE A 337 40.616 53.398 37.404 1.00 17.12 H new ATOM 0 HZ PHE A 337 39.157 51.671 36.957 1.00 17.70 H new ATOM 762 N ILE A 338 41.823 57.287 31.883 1.00 10.91 N ANISOU 762 N ILE A 338 888 1062 2196 -334 88 346 N ATOM 763 CA ILE A 338 42.736 58.039 31.033 1.00 10.04 C ANISOU 763 CA ILE A 338 800 990 2023 -307 11 352 C ATOM 764 C ILE A 338 44.055 57.288 30.937 1.00 9.93 C ANISOU 764 C ILE A 338 836 965 1972 -278 54 434 C ATOM 765 O ILE A 338 44.683 56.990 31.955 1.00 9.99 O ANISOU 765 O ILE A 338 857 1019 1920 -240 128 520 O ATOM 766 CB ILE A 338 42.960 59.469 31.559 1.00 9.35 C ANISOU 766 CB ILE A 338 706 999 1847 -286 8 355 C ATOM 767 CG1 ILE A 338 41.640 60.234 31.581 1.00 11.69 C ANISOU 767 CG1 ILE A 338 940 1277 2225 -290 -20 287 C ATOM 768 CG2 ILE A 338 43.972 60.197 30.700 1.00 9.25 C ANISOU 768 CG2 ILE A 338 727 1030 1756 -280 -61 375 C ATOM 769 CD1 ILE A 338 41.751 61.641 32.141 1.00 13.33 C ANISOU 769 CD1 ILE A 338 1144 1530 2393 -278 -2 280 C ATOM 0 H ILE A 338 41.721 57.610 32.674 1.00 10.91 H new ATOM 0 HA ILE A 338 42.341 58.122 30.151 1.00 10.04 H new ATOM 0 HB ILE A 338 43.306 59.415 32.464 1.00 9.35 H new ATOM 0 HG12 ILE A 338 41.290 60.282 30.678 1.00 11.69 H new ATOM 0 HG13 ILE A 338 40.997 59.736 32.109 1.00 11.69 H new ATOM 0 HG21 ILE A 338 44.102 61.095 31.043 1.00 9.25 H new ATOM 0 HG22 ILE A 338 44.816 59.719 30.718 1.00 9.25 H new ATOM 0 HG23 ILE A 338 43.647 60.244 29.787 1.00 9.25 H new ATOM 0 HD11 ILE A 338 40.879 62.066 32.125 1.00 13.33 H new ATOM 0 HD12 ILE A 338 42.074 61.601 33.055 1.00 13.33 H new ATOM 0 HD13 ILE A 338 42.371 62.156 31.602 1.00 13.33 H new ATOM 781 N SER A 339 44.479 57.003 29.708 1.00 10.13 N ANISOU 781 N SER A 339 924 960 1965 -254 -2 376 N ATOM 782 CA SER A 339 45.723 56.290 29.451 1.00 10.38 C ANISOU 782 CA SER A 339 1017 993 1935 -176 50 408 C ATOM 783 C SER A 339 46.820 57.190 28.909 1.00 9.79 C ANISOU 783 C SER A 339 953 1048 1718 -143 24 411 C ATOM 784 O SER A 339 47.982 56.801 28.860 1.00 11.53 O ANISOU 784 O SER A 339 1179 1315 1887 -69 79 448 O ATOM 785 CB SER A 339 45.482 55.170 28.449 1.00 15.11 C ANISOU 785 CB SER A 339 1693 1453 2596 -181 51 317 C ATOM 786 OG SER A 339 45.090 55.709 27.196 1.00 12.79 O ANISOU 786 OG SER A 339 1433 1179 2247 -232 -54 208 O ATOM 0 H SER A 339 44.048 57.220 28.996 1.00 10.13 H new ATOM 0 HA SER A 339 46.018 55.938 30.305 1.00 10.38 H new ATOM 0 HB2 SER A 339 46.289 54.642 28.343 1.00 15.11 H new ATOM 0 HB3 SER A 339 44.794 54.572 28.781 1.00 15.11 H new ATOM 0 HG SER A 339 44.961 55.084 26.650 1.00 12.79 H new ATOM 792 N PHE A 340 46.444 58.376 28.456 1.00 11.18 N ANISOU 792 N PHE A 340 1129 1275 1844 -195 -56 374 N ATOM 793 CA PHE A 340 47.394 59.263 27.782 1.00 12.69 C ANISOU 793 CA PHE A 340 1354 1569 1901 -196 -76 375 C ATOM 794 C PHE A 340 46.846 60.673 27.770 1.00 13.32 C ANISOU 794 C PHE A 340 1433 1671 1958 -252 -152 374 C ATOM 795 O PHE A 340 45.675 60.878 27.467 1.00 10.84 O ANISOU 795 O PHE A 340 1115 1284 1718 -273 -231 336 O ATOM 796 CB PHE A 340 47.657 58.763 26.356 1.00 10.16 C ANISOU 796 CB PHE A 340 1120 1219 1520 -188 -89 298 C ATOM 797 CG PHE A 340 48.492 59.683 25.513 1.00 10.22 C ANISOU 797 CG PHE A 340 1179 1328 1378 -215 -96 299 C ATOM 798 CD1 PHE A 340 47.899 60.694 24.774 1.00 12.23 C ANISOU 798 CD1 PHE A 340 1498 1579 1569 -278 -202 288 C ATOM 799 CD2 PHE A 340 49.863 59.516 25.424 1.00 10.56 C ANISOU 799 CD2 PHE A 340 1199 1468 1347 -176 5 320 C ATOM 800 CE1 PHE A 340 48.656 61.531 23.984 1.00 15.53 C ANISOU 800 CE1 PHE A 340 1988 2074 1839 -321 -196 308 C ATOM 801 CE2 PHE A 340 50.629 60.356 24.623 1.00 10.91 C ANISOU 801 CE2 PHE A 340 1285 1610 1250 -227 22 321 C ATOM 802 CZ PHE A 340 50.022 61.368 23.912 1.00 12.25 C ANISOU 802 CZ PHE A 340 1549 1760 1343 -309 -74 320 C ATOM 0 H PHE A 340 45.647 58.690 28.526 1.00 11.18 H new ATOM 0 HA PHE A 340 48.237 59.263 28.261 1.00 12.69 H new ATOM 0 HB2 PHE A 340 48.097 57.900 26.405 1.00 10.16 H new ATOM 0 HB3 PHE A 340 46.805 58.622 25.913 1.00 10.16 H new ATOM 0 HD1 PHE A 340 46.977 60.809 24.812 1.00 12.23 H new ATOM 0 HD2 PHE A 340 50.276 58.835 25.905 1.00 10.56 H new ATOM 0 HE1 PHE A 340 48.244 62.208 23.498 1.00 15.53 H new ATOM 0 HE2 PHE A 340 51.549 60.235 24.567 1.00 10.91 H new ATOM 0 HZ PHE A 340 50.533 61.939 23.385 1.00 12.25 H new ATOM 812 N ILE A 341 47.693 61.640 28.113 1.00 8.86 N ANISOU 812 N ILE A 341 864 1199 1305 -276 -129 417 N ATOM 813 CA ILE A 341 47.349 63.042 27.985 1.00 9.86 C ANISOU 813 CA ILE A 341 1025 1313 1408 -326 -187 417 C ATOM 814 C ILE A 341 48.320 63.681 27.013 1.00 9.10 C ANISOU 814 C ILE A 341 1005 1275 1177 -368 -192 433 C ATOM 815 O ILE A 341 49.533 63.602 27.184 1.00 10.69 O ANISOU 815 O ILE A 341 1177 1583 1302 -385 -119 457 O ATOM 816 CB ILE A 341 47.378 63.747 29.337 1.00 12.33 C ANISOU 816 CB ILE A 341 1291 1657 1738 -355 -141 436 C ATOM 817 CG1 ILE A 341 46.269 63.177 30.224 1.00 16.56 C ANISOU 817 CG1 ILE A 341 1761 2135 2397 -327 -117 419 C ATOM 818 CG2 ILE A 341 47.226 65.273 29.160 1.00 14.40 C ANISOU 818 CG2 ILE A 341 1615 1877 1979 -405 -180 428 C ATOM 819 CD1 ILE A 341 46.319 63.671 31.613 1.00 19.38 C ANISOU 819 CD1 ILE A 341 2107 2536 2722 -338 -47 404 C ATOM 0 H ILE A 341 48.481 61.497 28.426 1.00 8.86 H new ATOM 0 HA ILE A 341 46.443 63.126 27.648 1.00 9.86 H new ATOM 0 HB ILE A 341 48.234 63.591 29.765 1.00 12.33 H new ATOM 0 HG12 ILE A 341 45.408 63.402 29.838 1.00 16.56 H new ATOM 0 HG13 ILE A 341 46.333 62.209 30.229 1.00 16.56 H new ATOM 0 HG21 ILE A 341 47.247 65.703 30.029 1.00 14.40 H new ATOM 0 HG22 ILE A 341 47.954 65.610 28.615 1.00 14.40 H new ATOM 0 HG23 ILE A 341 46.381 65.466 28.724 1.00 14.40 H new ATOM 0 HD11 ILE A 341 45.595 63.276 32.123 1.00 19.38 H new ATOM 0 HD12 ILE A 341 47.168 63.426 32.014 1.00 19.38 H new ATOM 0 HD13 ILE A 341 46.228 64.637 31.617 1.00 19.38 H new ATOM 831 N LEU A 342 47.772 64.313 25.987 1.00 9.79 N ANISOU 831 N LEU A 342 1183 1301 1234 -387 -281 429 N ATOM 832 CA LEU A 342 48.576 64.934 24.950 1.00 12.12 C ANISOU 832 CA LEU A 342 1580 1641 1382 -445 -279 457 C ATOM 833 C LEU A 342 49.210 66.232 25.433 1.00 10.42 C ANISOU 833 C LEU A 342 1387 1445 1129 -524 -243 504 C ATOM 834 O LEU A 342 48.517 67.136 25.899 1.00 14.39 O ANISOU 834 O LEU A 342 1910 1853 1705 -528 -290 514 O ATOM 835 CB LEU A 342 47.707 65.202 23.723 1.00 11.52 C ANISOU 835 CB LEU A 342 1616 1493 1268 -443 -408 460 C ATOM 836 CG LEU A 342 48.403 65.865 22.537 1.00 17.09 C ANISOU 836 CG LEU A 342 2467 2238 1790 -515 -409 508 C ATOM 837 CD1 LEU A 342 49.416 64.921 21.925 1.00 20.25 C ANISOU 837 CD1 LEU A 342 2877 2748 2070 -529 -297 459 C ATOM 838 CD2 LEU A 342 47.362 66.295 21.512 1.00 24.33 C ANISOU 838 CD2 LEU A 342 3498 3080 2669 -504 -578 543 C ATOM 0 H LEU A 342 46.923 64.394 25.873 1.00 9.79 H new ATOM 0 HA LEU A 342 49.294 64.324 24.718 1.00 12.12 H new ATOM 0 HB2 LEU A 342 47.333 64.359 23.424 1.00 11.52 H new ATOM 0 HB3 LEU A 342 46.963 65.763 23.993 1.00 11.52 H new ATOM 0 HG LEU A 342 48.881 66.652 22.842 1.00 17.09 H new ATOM 0 HD11 LEU A 342 49.850 65.355 21.174 1.00 20.25 H new ATOM 0 HD12 LEU A 342 50.081 64.685 22.590 1.00 20.25 H new ATOM 0 HD13 LEU A 342 48.966 64.118 21.619 1.00 20.25 H new ATOM 0 HD21 LEU A 342 47.804 66.716 20.758 1.00 24.33 H new ATOM 0 HD22 LEU A 342 46.870 65.518 21.204 1.00 24.33 H new ATOM 0 HD23 LEU A 342 46.748 66.925 21.919 1.00 24.33 H new ATOM 850 N ALA A 343 50.527 66.337 25.287 1.00 11.64 N ANISOU 850 N ALA A 343 1531 1715 1177 -592 -153 522 N ATOM 851 CA ALA A 343 51.223 67.562 25.646 1.00 12.08 C ANISOU 851 CA ALA A 343 1601 1780 1210 -660 -122 508 C ATOM 852 C ALA A 343 50.649 68.751 24.878 1.00 13.35 C ANISOU 852 C ALA A 343 1913 1811 1350 -700 -188 546 C ATOM 853 O ALA A 343 50.554 68.731 23.651 1.00 16.10 O ANISOU 853 O ALA A 343 2359 2142 1615 -705 -220 578 O ATOM 854 CB ALA A 343 52.709 67.424 25.380 1.00 16.26 C ANISOU 854 CB ALA A 343 2072 2444 1663 -693 -32 485 C ATOM 0 H ALA A 343 51.033 65.711 24.983 1.00 11.64 H new ATOM 0 HA ALA A 343 51.094 67.721 26.594 1.00 12.08 H new ATOM 0 HB1 ALA A 343 53.159 68.248 25.624 1.00 16.26 H new ATOM 0 HB2 ALA A 343 53.066 66.692 25.908 1.00 16.26 H new ATOM 0 HB3 ALA A 343 52.854 67.243 24.438 1.00 16.26 H new ATOM 860 N GLY A 344 50.229 69.773 25.615 1.00 17.51 N ANISOU 860 N GLY A 344 2467 2237 1948 -717 -206 542 N ATOM 861 CA GLY A 344 49.753 70.996 24.998 1.00 17.47 C ANISOU 861 CA GLY A 344 2607 2085 1947 -735 -260 590 C ATOM 862 C GLY A 344 48.284 70.998 24.630 1.00 16.59 C ANISOU 862 C GLY A 344 2544 1833 1926 -637 -390 640 C ATOM 863 O GLY A 344 47.747 72.030 24.217 1.00 17.73 O ANISOU 863 O GLY A 344 2794 1838 2105 -609 -450 687 O ATOM 0 H GLY A 344 50.213 69.775 26.475 1.00 17.51 H new ATOM 0 HA2 GLY A 344 49.922 71.735 25.604 1.00 17.47 H new ATOM 0 HA3 GLY A 344 50.274 71.162 24.196 1.00 17.47 H new ATOM 867 N GLY A 345 47.640 69.845 24.774 1.00 14.33 N ANISOU 867 N GLY A 345 2171 1581 1695 -572 -440 630 N ATOM 868 CA GLY A 345 46.230 69.695 24.468 1.00 17.48 C ANISOU 868 CA GLY A 345 2547 1886 2208 -455 -574 635 C ATOM 869 C GLY A 345 45.348 70.202 25.593 1.00 13.57 C ANISOU 869 C GLY A 345 1969 1285 1904 -384 -562 591 C ATOM 870 O GLY A 345 45.843 70.563 26.647 1.00 12.36 O ANISOU 870 O GLY A 345 1793 1137 1768 -436 -448 545 O ATOM 0 H GLY A 345 48.015 69.124 25.055 1.00 14.33 H new ATOM 0 HA2 GLY A 345 46.023 70.179 23.653 1.00 17.48 H new ATOM 0 HA3 GLY A 345 46.034 68.760 24.300 1.00 17.48 H new ATOM 874 N PRO A 346 44.026 70.255 25.365 1.00 15.36 N ANISOU 874 N PRO A 346 2141 1425 2269 -269 -678 597 N ATOM 875 CA PRO A 346 43.101 70.812 26.360 1.00 13.46 C ANISOU 875 CA PRO A 346 1809 1077 2228 -183 -646 546 C ATOM 876 C PRO A 346 43.172 70.158 27.744 1.00 12.29 C ANISOU 876 C PRO A 346 1534 1007 2130 -209 -498 443 C ATOM 877 O PRO A 346 43.189 70.893 28.739 1.00 12.57 O ANISOU 877 O PRO A 346 1576 980 2220 -218 -395 390 O ATOM 878 CB PRO A 346 41.740 70.590 25.703 1.00 14.57 C ANISOU 878 CB PRO A 346 1857 1180 2500 -59 -810 570 C ATOM 879 CG PRO A 346 42.046 70.771 24.249 1.00 15.44 C ANISOU 879 CG PRO A 346 2114 1305 2448 -84 -946 670 C ATOM 880 CD PRO A 346 43.364 70.066 24.062 1.00 23.51 C ANISOU 880 CD PRO A 346 3212 2450 3269 -216 -856 661 C ATOM 0 HA PRO A 346 43.310 71.738 26.559 1.00 13.46 H new ATOM 0 HB2 PRO A 346 41.389 69.705 25.890 1.00 14.57 H new ATOM 0 HB3 PRO A 346 41.080 71.229 26.015 1.00 14.57 H new ATOM 0 HG2 PRO A 346 41.354 70.384 23.690 1.00 15.44 H new ATOM 0 HG3 PRO A 346 42.109 71.710 24.014 1.00 15.44 H new ATOM 0 HD2 PRO A 346 43.243 69.127 23.853 1.00 23.51 H new ATOM 0 HD3 PRO A 346 43.879 70.453 23.337 1.00 23.51 H new ATOM 888 N ALA A 347 43.216 68.830 27.815 1.00 11.60 N ANISOU 888 N ALA A 347 1353 1040 2014 -225 -483 416 N ATOM 889 CA ALA A 347 43.358 68.150 29.110 1.00 12.96 C ANISOU 889 CA ALA A 347 1431 1289 2206 -255 -348 353 C ATOM 890 C ALA A 347 44.650 68.563 29.811 1.00 13.05 C ANISOU 890 C ALA A 347 1513 1365 2081 -353 -245 349 C ATOM 891 O ALA A 347 44.663 68.824 31.013 1.00 11.80 O ANISOU 891 O ALA A 347 1327 1220 1935 -381 -144 295 O ATOM 892 CB ALA A 347 43.318 66.639 28.934 1.00 11.33 C ANISOU 892 CB ALA A 347 1149 1169 1987 -259 -353 349 C ATOM 0 H ALA A 347 43.166 68.305 27.135 1.00 11.60 H new ATOM 0 HA ALA A 347 42.610 68.419 29.666 1.00 12.96 H new ATOM 0 HB1 ALA A 347 43.413 66.210 29.799 1.00 11.33 H new ATOM 0 HB2 ALA A 347 42.471 66.382 28.537 1.00 11.33 H new ATOM 0 HB3 ALA A 347 44.044 66.361 28.354 1.00 11.33 H new ATOM 898 N ASP A 348 45.740 68.624 29.057 1.00 10.35 N ANISOU 898 N ASP A 348 1254 1079 1599 -417 -268 400 N ATOM 899 CA ASP A 348 47.022 69.062 29.602 1.00 10.07 C ANISOU 899 CA ASP A 348 1257 1126 1441 -529 -189 399 C ATOM 900 C ASP A 348 46.934 70.499 30.115 1.00 13.80 C ANISOU 900 C ASP A 348 1816 1482 1945 -580 -156 362 C ATOM 901 O ASP A 348 47.386 70.804 31.220 1.00 14.94 O ANISOU 901 O ASP A 348 1951 1676 2048 -659 -75 303 O ATOM 902 CB ASP A 348 48.128 68.963 28.551 1.00 10.06 C ANISOU 902 CB ASP A 348 1313 1203 1306 -592 -207 458 C ATOM 903 CG ASP A 348 49.510 69.222 29.126 1.00 11.37 C ANISOU 903 CG ASP A 348 1460 1501 1359 -657 -128 418 C ATOM 904 OD1 ASP A 348 49.725 68.976 30.341 1.00 11.07 O ANISOU 904 OD1 ASP A 348 1352 1536 1318 -653 -82 372 O ATOM 905 OD2 ASP A 348 50.383 69.675 28.360 1.00 13.72 O ANISOU 905 OD2 ASP A 348 1810 1832 1572 -710 -122 434 O ATOM 0 H ASP A 348 45.760 68.415 28.223 1.00 10.35 H new ATOM 0 HA ASP A 348 47.239 68.474 30.343 1.00 10.07 H new ATOM 0 HB2 ASP A 348 48.109 68.080 28.150 1.00 10.06 H new ATOM 0 HB3 ASP A 348 47.953 69.601 27.842 1.00 10.06 H new ATOM 910 N LEU A 349 46.359 71.383 29.304 1.00 13.90 N ANISOU 910 N LEU A 349 1924 1332 2023 -537 -224 397 N ATOM 911 CA LEU A 349 46.269 72.795 29.663 1.00 14.87 C ANISOU 911 CA LEU A 349 2161 1291 2200 -572 -186 365 C ATOM 912 C LEU A 349 45.472 73.001 30.961 1.00 14.36 C ANISOU 912 C LEU A 349 2033 1171 2252 -520 -98 250 C ATOM 913 O LEU A 349 45.717 73.954 31.687 1.00 18.77 O ANISOU 913 O LEU A 349 2676 1647 2810 -594 -15 173 O ATOM 914 CB LEU A 349 45.655 73.598 28.511 1.00 16.22 C ANISOU 914 CB LEU A 349 2445 1277 2441 -492 -292 455 C ATOM 915 CG LEU A 349 46.488 73.595 27.222 1.00 21.96 C ANISOU 915 CG LEU A 349 3268 2069 3007 -557 -345 556 C ATOM 916 CD1 LEU A 349 45.753 74.268 26.069 1.00 21.88 C ANISOU 916 CD1 LEU A 349 3357 1923 3034 -453 -461 649 C ATOM 917 CD2 LEU A 349 47.840 74.255 27.437 1.00 26.43 C ANISOU 917 CD2 LEU A 349 3893 2702 3448 -704 -236 521 C ATOM 0 H LEU A 349 46.015 71.185 28.541 1.00 13.90 H new ATOM 0 HA LEU A 349 47.169 73.120 29.824 1.00 14.87 H new ATOM 0 HB2 LEU A 349 44.775 73.241 28.315 1.00 16.22 H new ATOM 0 HB3 LEU A 349 45.531 74.515 28.801 1.00 16.22 H new ATOM 0 HG LEU A 349 46.631 72.666 26.984 1.00 21.96 H new ATOM 0 HD11 LEU A 349 46.309 74.247 25.274 1.00 21.88 H new ATOM 0 HD12 LEU A 349 44.923 73.797 25.895 1.00 21.88 H new ATOM 0 HD13 LEU A 349 45.559 75.189 26.303 1.00 21.88 H new ATOM 0 HD21 LEU A 349 48.344 74.239 26.608 1.00 26.43 H new ATOM 0 HD22 LEU A 349 47.710 75.174 27.718 1.00 26.43 H new ATOM 0 HD23 LEU A 349 48.330 73.774 28.122 1.00 26.43 H new ATOM 929 N ASER A 350 44.529 72.104 31.251 0.75 12.82 N ANISOU 929 N ASER A 350 1697 1024 2150 -412 -101 227 N ATOM 930 N BSER A 350 44.534 72.106 31.244 0.25 14.78 N ANISOU 930 N BSER A 350 1945 1271 2398 -412 -102 228 N ATOM 931 CA ASER A 350 43.767 72.161 32.507 0.75 16.05 C ANISOU 931 CA ASER A 350 2033 1414 2653 -373 14 115 C ATOM 932 CA BSER A 350 43.778 72.174 32.487 0.25 17.76 C ANISOU 932 CA BSER A 350 2251 1627 2868 -374 12 117 C ATOM 933 C ASER A 350 44.691 71.926 33.692 0.75 16.27 C ANISOU 933 C ASER A 350 2070 1590 2519 -513 120 54 C ATOM 934 C BSER A 350 44.689 71.923 33.686 0.25 16.39 C ANISOU 934 C BSER A 350 2086 1606 2536 -512 120 54 C ATOM 935 O ASER A 350 44.491 72.488 34.772 0.75 19.70 O ANISOU 935 O ASER A 350 2535 1994 2957 -548 235 -58 O ATOM 936 O BSER A 350 44.484 72.483 34.764 0.25 17.48 O ANISOU 936 O BSER A 350 2253 1712 2676 -546 234 -58 O ATOM 937 CB ASER A 350 42.634 71.124 32.539 0.75 16.64 C ANISOU 937 CB ASER A 350 1939 1531 2851 -262 0 116 C ATOM 938 CB BSER A 350 42.638 71.162 32.474 0.25 19.82 C ANISOU 938 CB BSER A 350 2346 1928 3255 -260 -6 120 C ATOM 939 OG ASER A 350 43.100 69.837 32.951 0.75 16.37 O ANISOU 939 OG ASER A 350 1836 1673 2710 -323 30 137 O ATOM 940 OG BSER A 350 41.976 71.143 33.719 0.25 13.66 O ANISOU 940 OG BSER A 350 1491 1155 2542 -244 136 15 O ATOM 0 H ASER A 350 44.313 71.452 30.734 0.75 14.78 H new ATOM 0 H BSER A 350 44.320 71.451 30.729 0.25 14.78 H new ATOM 0 HA ASER A 350 43.372 73.045 32.562 0.75 17.76 H new ATOM 0 HA BSER A 350 43.403 73.065 32.565 0.25 17.76 H new ATOM 0 HB2ASER A 350 41.938 71.425 33.144 0.75 19.82 H new ATOM 0 HB2BSER A 350 42.008 71.386 31.771 0.25 19.82 H new ATOM 0 HB3ASER A 350 42.234 71.056 31.658 0.75 19.82 H new ATOM 0 HB3BSER A 350 42.985 70.279 32.273 0.25 19.82 H new ATOM 0 HG ASER A 350 43.589 69.511 32.351 0.75 13.66 H new ATOM 0 HG BSER A 350 41.148 71.213 33.597 0.25 13.66 H new ATOM 951 N GLY A 351 45.692 71.074 33.485 1.00 14.59 N ANISOU 951 N GLY A 351 1831 1548 2165 -584 80 124 N ATOM 952 CA GLY A 351 46.650 70.741 34.527 1.00 18.58 C ANISOU 952 CA GLY A 351 2322 2230 2509 -703 139 99 C ATOM 953 C GLY A 351 46.069 69.953 35.691 1.00 20.63 C ANISOU 953 C GLY A 351 2501 2575 2763 -676 222 63 C ATOM 954 O GLY A 351 46.682 69.869 36.754 1.00 26.99 O ANISOU 954 O GLY A 351 3316 3516 3423 -774 273 34 O ATOM 0 H AGLY A 351 45.832 70.675 32.736 0.75 14.59 H new ATOM 0 H BGLY A 351 45.835 70.675 32.737 0.25 14.59 H new ATOM 0 HA2 GLY A 351 47.373 70.228 34.133 1.00 18.58 H new ATOM 0 HA3 GLY A 351 47.037 71.562 34.869 1.00 18.58 H new ATOM 958 N GLU A 352 44.897 69.361 35.500 1.00 12.82 N ANISOU 958 N GLU A 352 1431 1521 1919 -559 233 72 N ATOM 959 CA GLU A 352 44.191 68.722 36.614 1.00 18.42 C ANISOU 959 CA GLU A 352 2072 2288 2637 -548 344 36 C ATOM 960 C GLU A 352 43.787 67.271 36.344 1.00 24.59 C ANISOU 960 C GLU A 352 2751 3119 3474 -491 320 125 C ATOM 961 O GLU A 352 43.053 66.677 37.130 1.00 28.58 O ANISOU 961 O GLU A 352 3197 3649 4013 -486 418 112 O ATOM 962 CB GLU A 352 42.954 69.556 36.976 1.00 19.91 C ANISOU 962 CB GLU A 352 2248 2336 2982 -485 442 -81 C ATOM 963 CG GLU A 352 43.341 70.927 37.536 1.00 22.23 C ANISOU 963 CG GLU A 352 2672 2563 3213 -557 509 -198 C ATOM 964 CD GLU A 352 42.167 71.875 37.700 1.00 63.56 C ANISOU 964 CD GLU A 352 7902 7611 8639 -456 608 -318 C ATOM 965 OE1 GLU A 352 41.023 71.396 37.825 1.00 55.95 O ANISOU 965 OE1 GLU A 352 6802 6632 7824 -355 669 -333 O ATOM 966 OE2 GLU A 352 42.392 73.105 37.706 1.00 80.56 O ANISOU 966 OE2 GLU A 352 10180 9624 10806 -478 633 -401 O ATOM 0 H GLU A 352 44.493 69.316 34.742 1.00 12.82 H new ATOM 0 HA GLU A 352 44.814 68.689 37.357 1.00 18.42 H new ATOM 0 HB2 GLU A 352 42.400 69.672 36.188 1.00 19.91 H new ATOM 0 HB3 GLU A 352 42.421 69.078 37.630 1.00 19.91 H new ATOM 0 HG2 GLU A 352 43.771 70.806 38.397 1.00 22.23 H new ATOM 0 HG3 GLU A 352 43.995 71.335 36.947 1.00 22.23 H new ATOM 973 N LEU A 353 44.262 66.710 35.237 1.00 14.59 N ANISOU 973 N LEU A 353 1541 1628 2376 -124 168 398 N ATOM 974 CA LEU A 353 43.993 65.312 34.892 1.00 12.28 C ANISOU 974 CA LEU A 353 1202 1386 2079 -130 130 449 C ATOM 975 C LEU A 353 45.290 64.560 34.735 1.00 18.67 C ANISOU 975 C LEU A 353 2036 2284 2773 -163 67 358 C ATOM 976 O LEU A 353 46.321 65.153 34.411 1.00 17.73 O ANISOU 976 O LEU A 353 1929 2197 2612 -218 31 270 O ATOM 977 CB LEU A 353 43.184 65.215 33.598 1.00 13.39 C ANISOU 977 CB LEU A 353 1265 1509 2314 -188 67 551 C ATOM 978 CG LEU A 353 41.775 65.781 33.655 1.00 19.17 C ANISOU 978 CG LEU A 353 1934 2174 3178 -130 104 640 C ATOM 979 CD1 LEU A 353 41.233 65.936 32.261 1.00 25.16 C ANISOU 979 CD1 LEU A 353 2647 2944 3969 -160 -12 694 C ATOM 980 CD2 LEU A 353 40.860 64.873 34.485 1.00 20.95 C ANISOU 980 CD2 LEU A 353 2112 2390 3456 -72 185 666 C ATOM 0 H LEU A 353 44.749 67.126 34.663 1.00 14.59 H new ATOM 0 HA LEU A 353 43.475 64.918 35.611 1.00 12.28 H new ATOM 0 HB2 LEU A 353 43.671 65.675 32.897 1.00 13.39 H new ATOM 0 HB3 LEU A 353 43.129 64.282 33.340 1.00 13.39 H new ATOM 0 HG LEU A 353 41.805 66.651 34.082 1.00 19.17 H new ATOM 0 HD11 LEU A 353 40.334 66.297 32.302 1.00 25.16 H new ATOM 0 HD12 LEU A 353 41.801 66.540 31.758 1.00 25.16 H new ATOM 0 HD13 LEU A 353 41.214 65.071 31.823 1.00 25.16 H new ATOM 0 HD21 LEU A 353 39.966 65.250 34.510 1.00 20.95 H new ATOM 0 HD22 LEU A 353 40.827 63.991 34.082 1.00 20.95 H new ATOM 0 HD23 LEU A 353 41.206 64.803 35.388 1.00 20.95 H new ATOM 992 N AARG A 354 45.259 63.251 34.962 0.61 10.09 N ANISOU 992 N AARG A 354 957 1230 1648 -128 65 373 N ATOM 993 N BARG A 354 45.249 63.252 34.956 0.39 11.36 N ANISOU 993 N BARG A 354 1117 1391 1810 -128 65 374 N ATOM 994 CA AARG A 354 46.448 62.442 34.749 0.61 16.70 C ANISOU 994 CA AARG A 354 1809 2147 2390 -135 5 295 C ATOM 995 CA BARG A 354 46.439 62.445 34.768 0.39 16.13 C ANISOU 995 CA BARG A 354 1737 2073 2317 -134 6 295 C ATOM 996 C AARG A 354 46.090 61.036 34.312 0.61 9.65 C ANISOU 996 C AARG A 354 915 1250 1502 -141 2 353 C ATOM 997 C BARG A 354 46.109 61.012 34.403 0.39 8.44 C ANISOU 997 C BARG A 354 766 1097 1343 -133 5 351 C ATOM 998 O AARG A 354 44.965 60.568 34.516 0.61 8.66 O ANISOU 998 O AARG A 354 783 1066 1442 -129 60 438 O ATOM 999 O BARG A 354 45.024 60.502 34.691 0.39 14.68 O ANISOU 999 O BARG A 354 1558 1829 2192 -113 67 433 O ATOM 1000 CB AARG A 354 47.311 62.389 36.009 0.61 30.26 C ANISOU 1000 CB AARG A 354 3589 3914 3996 -34 7 196 C ATOM 1001 CB BARG A 354 47.309 62.472 36.021 0.39 28.36 C ANISOU 1001 CB BARG A 354 3346 3671 3756 -35 7 194 C ATOM 1002 CG AARG A 354 46.640 61.754 37.202 0.61 31.58 C ANISOU 1002 CG AARG A 354 3840 4039 4118 84 83 248 C ATOM 1003 CG BARG A 354 46.675 61.862 37.247 0.39 30.61 C ANISOU 1003 CG BARG A 354 3718 3918 3993 85 82 241 C ATOM 1004 CD AARG A 354 47.631 61.478 38.328 0.61 31.61 C ANISOU 1004 CD AARG A 354 3931 4110 3968 204 46 152 C ATOM 1005 CD BARG A 354 47.484 62.223 38.481 0.39 26.57 C ANISOU 1005 CD BARG A 354 3287 3457 3353 184 62 134 C ATOM 1006 NE AARG A 354 48.389 62.664 38.724 0.61 23.45 N ANISOU 1006 NE AARG A 354 2885 3126 2899 192 -3 27 N ATOM 1007 NE BARG A 354 48.889 61.855 38.327 0.39 30.87 N ANISOU 1007 NE BARG A 354 3802 4112 3816 201 -52 21 N ATOM 1008 CZ AARG A 354 49.711 62.798 38.630 0.61 36.02 C ANISOU 1008 CZ AARG A 354 4427 4822 4438 182 -107 -108 C ATOM 1009 CZ BARG A 354 49.896 62.446 38.965 0.39 39.16 C ANISOU 1009 CZ BARG A 354 4851 5242 4786 236 -125 -119 C ATOM 1010 NH1AARG A 354 50.475 61.816 38.152 0.61 29.75 N ANISOU 1010 NH1AARG A 354 3590 4098 3616 204 -175 -131 N ATOM 1011 NH1BARG A 354 51.141 62.036 38.755 0.39 31.46 N ANISOU 1011 NH1BARG A 354 3810 4377 3766 255 -230 -226 N ATOM 1012 NH2AARG A 354 50.280 63.929 39.026 0.61 37.54 N ANISOU 1012 NH2AARG A 354 4602 5044 4616 146 -136 -232 N ATOM 1013 NH2BARG A 354 49.666 63.446 39.807 0.39 29.17 N ANISOU 1013 NH2BARG A 354 3641 3949 3494 250 -92 -165 N ATOM 0 H AARG A 354 44.568 62.818 35.236 0.61 11.36 H new ATOM 0 H BARG A 354 44.551 62.820 35.212 0.39 11.36 H new ATOM 0 HA AARG A 354 46.957 62.864 34.039 0.61 16.13 H new ATOM 0 HA BARG A 354 46.928 62.833 34.026 0.39 16.13 H new ATOM 0 HB2AARG A 354 48.124 61.898 35.810 0.61 28.36 H new ATOM 0 HB2BARG A 354 48.137 62.003 35.834 0.39 28.36 H new ATOM 0 HB3AARG A 354 47.576 63.292 36.244 0.61 28.36 H new ATOM 0 HB3BARG A 354 47.542 63.393 36.217 0.39 28.36 H new ATOM 0 HG2AARG A 354 45.936 62.338 37.526 0.61 30.61 H new ATOM 0 HG2BARG A 354 45.764 62.181 37.343 0.39 30.61 H new ATOM 0 HG3AARG A 354 46.218 60.924 36.932 0.61 30.61 H new ATOM 0 HG3BARG A 354 46.629 60.898 37.151 0.39 30.61 H new ATOM 0 HD2AARG A 354 47.151 61.135 39.098 0.61 26.57 H new ATOM 0 HD2BARG A 354 47.414 63.176 38.647 0.39 26.57 H new ATOM 0 HD3AARG A 354 48.248 60.785 38.046 0.61 26.57 H new ATOM 0 HD3BARG A 354 47.113 61.772 39.256 0.39 26.57 H new ATOM 0 HE AARG A 354 47.946 63.328 39.043 0.61 30.87 H new ATOM 0 HE BARG A 354 49.078 61.213 37.787 0.39 30.87 H new ATOM 0 HH11AARG A 354 50.116 61.077 37.897 0.61 31.46 H new ATOM 0 HH11BARG A 354 51.295 61.390 38.208 0.39 31.46 H new ATOM 0 HH12AARG A 354 51.327 61.921 38.099 0.61 31.46 H new ATOM 0 HH12BARG A 354 51.794 62.416 39.166 0.39 31.46 H new ATOM 0 HH21AARG A 354 49.796 64.567 39.340 0.61 29.17 H new ATOM 0 HH21BARG A 354 48.861 63.717 39.944 0.39 29.17 H new ATOM 0 HH22AARG A 354 51.133 64.024 38.969 0.61 29.17 H new ATOM 0 HH22BARG A 354 50.322 63.823 40.216 0.39 29.17 H new ATOM 1040 N ALYS A 355 47.060 60.392 33.672 0.61 12.81 N ANISOU 1040 N ALYS A 355 1314 1707 1845 -171 -53 296 N ATOM 1041 N BLYS A 355 47.069 60.393 33.730 0.39 12.37 N ANISOU 1041 N BLYS A 355 1261 1652 1788 -166 -51 295 N ATOM 1042 CA ALYS A 355 47.011 58.963 33.410 0.61 9.79 C ANISOU 1042 CA ALYS A 355 962 1316 1442 -160 -46 321 C ATOM 1043 CA BLYS A 355 47.044 58.975 33.426 0.39 11.09 C ANISOU 1043 CA BLYS A 355 1127 1482 1605 -158 -47 319 C ATOM 1044 C ALYS A 355 46.661 58.259 34.703 0.61 12.38 C ANISOU 1044 C ALYS A 355 1370 1604 1728 -36 27 353 C ATOM 1045 C BLYS A 355 46.728 58.190 34.689 0.39 10.34 C ANISOU 1045 C BLYS A 355 1115 1348 1464 -34 25 349 C ATOM 1046 O ALYS A 355 47.241 58.545 35.750 0.61 9.44 O ANISOU 1046 O ALYS A 355 1049 1265 1272 70 28 301 O ATOM 1047 O BLYS A 355 47.415 58.337 35.700 0.39 11.53 O ANISOU 1047 O BLYS A 355 1320 1538 1523 77 20 294 O ATOM 1048 CB ALYS A 355 48.358 58.476 32.869 0.61 14.50 C ANISOU 1048 CB ALYS A 355 1556 1983 1970 -163 -97 229 C ATOM 1049 CB BLYS A 355 48.397 58.569 32.845 0.39 19.89 C ANISOU 1049 CB BLYS A 355 2235 2670 2654 -167 -100 225 C ATOM 1050 CG ALYS A 355 48.459 56.991 32.556 0.61 22.22 C ANISOU 1050 CG ALYS A 355 2584 2938 2919 -141 -81 242 C ATOM 1051 CG BLYS A 355 48.487 57.181 32.284 0.39 14.61 C ANISOU 1051 CG BLYS A 355 1603 1981 1966 -172 -91 237 C ATOM 1052 CD ALYS A 355 49.929 56.543 32.469 0.61 18.26 C ANISOU 1052 CD ALYS A 355 2077 2513 2347 -78 -117 136 C ATOM 1053 CD BLYS A 355 49.860 56.985 31.651 0.39 31.36 C ANISOU 1053 CD BLYS A 355 3699 4177 4040 -179 -128 133 C ATOM 1054 CE ALYS A 355 50.761 57.434 31.546 0.61 28.55 C ANISOU 1054 CE ALYS A 355 3297 3884 3668 -181 -152 52 C ATOM 1055 CE BLYS A 355 50.060 55.561 31.205 0.39 28.94 C ANISOU 1055 CE BLYS A 355 3448 3840 3708 -157 -105 134 C ATOM 1056 NZ ALYS A 355 52.225 57.143 31.631 0.61 24.20 N ANISOU 1056 NZ ALYS A 355 2696 3422 3076 -113 -178 -72 N ATOM 1057 NZ BLYS A 355 50.187 55.396 29.723 0.39 16.39 N ANISOU 1057 NZ BLYS A 355 1850 2246 2132 -293 -110 115 N ATOM 0 H ALYS A 355 47.770 60.777 33.376 0.61 12.37 H new ATOM 0 H BLYS A 355 47.768 60.796 33.432 0.39 12.37 H new ATOM 0 HA ALYS A 355 46.339 58.766 32.739 0.61 11.09 H new ATOM 0 HA BLYS A 355 46.355 58.781 32.772 0.39 11.09 H new ATOM 0 HB2ALYS A 355 48.559 58.972 32.060 0.61 19.89 H new ATOM 0 HB2BLYS A 355 48.628 59.197 32.143 0.39 19.89 H new ATOM 0 HB3ALYS A 355 49.045 58.698 33.517 0.61 19.89 H new ATOM 0 HB3BLYS A 355 49.067 58.661 33.540 0.39 19.89 H new ATOM 0 HG2ALYS A 355 48.002 56.481 33.243 0.61 14.61 H new ATOM 0 HG2BLYS A 355 48.346 56.527 32.986 0.39 14.61 H new ATOM 0 HG3ALYS A 355 48.010 56.803 31.717 0.61 14.61 H new ATOM 0 HG3BLYS A 355 47.791 57.042 31.623 0.39 14.61 H new ATOM 0 HD2ALYS A 355 50.319 56.550 33.357 0.61 31.36 H new ATOM 0 HD2BLYS A 355 49.956 57.580 30.891 0.39 31.36 H new ATOM 0 HD3ALYS A 355 49.966 55.628 32.150 0.61 31.36 H new ATOM 0 HD3BLYS A 355 50.550 57.226 32.289 0.39 31.36 H new ATOM 0 HE2ALYS A 355 50.463 57.313 30.631 0.61 28.94 H new ATOM 0 HE2BLYS A 355 50.858 55.209 31.629 0.39 28.94 H new ATOM 0 HE3ALYS A 355 50.606 58.364 31.774 0.61 28.94 H new ATOM 0 HE3BLYS A 355 49.313 55.027 31.517 0.39 28.94 H new ATOM 0 HZ1ALYS A 355 52.681 57.907 31.622 0.61 16.39 H new ATOM 0 HZ1BLYS A 355 50.186 54.530 29.519 0.39 16.39 H new ATOM 0 HZ2ALYS A 355 52.397 56.704 32.386 0.61 16.39 H new ATOM 0 HZ2BLYS A 355 49.502 55.796 29.320 0.39 16.39 H new ATOM 0 HZ3ALYS A 355 52.470 56.644 30.936 0.61 16.39 H new ATOM 0 HZ3BLYS A 355 50.949 55.764 29.447 0.39 16.39 H new ATOM 1084 N GLY A 356 45.690 57.360 34.631 1.00 9.01 N ANISOU 1084 N GLY A 356 966 1103 1356 -57 94 432 N ATOM 1085 CA GLY A 356 45.254 56.611 35.797 1.00 9.48 C ANISOU 1085 CA GLY A 356 1130 1095 1377 45 203 478 C ATOM 1086 C GLY A 356 43.980 57.129 36.439 1.00 9.95 C ANISOU 1086 C GLY A 356 1169 1086 1526 41 309 546 C ATOM 1087 O GLY A 356 43.393 56.456 37.298 1.00 10.77 O ANISOU 1087 O GLY A 356 1362 1110 1620 97 440 597 O ATOM 0 H AGLY A 356 45.267 57.168 33.907 0.61 9.01 H new ATOM 0 H BGLY A 356 45.225 57.218 33.921 0.39 9.01 H new ATOM 0 HA2 GLY A 356 45.120 55.685 35.541 1.00 9.48 H new ATOM 0 HA3 GLY A 356 45.964 56.622 36.458 1.00 9.48 H new ATOM 1091 N ASP A 357 43.552 58.322 36.037 1.00 9.95 N ANISOU 1091 N ASP A 357 1061 1104 1614 -19 272 550 N ATOM 1092 CA ASP A 357 42.252 58.843 36.441 1.00 10.56 C ANISOU 1092 CA ASP A 357 1080 1117 1815 -26 371 614 C ATOM 1093 C ASP A 357 41.139 58.032 35.786 1.00 11.05 C ANISOU 1093 C ASP A 357 1073 1153 1971 -98 369 613 C ATOM 1094 O ASP A 357 41.180 57.781 34.580 1.00 10.71 O ANISOU 1094 O ASP A 357 982 1149 1936 -177 255 583 O ATOM 1095 CB ASP A 357 42.085 60.316 36.047 1.00 10.86 C ANISOU 1095 CB ASP A 357 1028 1177 1921 -51 312 608 C ATOM 1096 CG ASP A 357 42.784 61.284 36.993 1.00 13.47 C ANISOU 1096 CG ASP A 357 1441 1523 2153 35 329 544 C ATOM 1097 OD1 ASP A 357 43.072 60.928 38.156 1.00 11.88 O ANISOU 1097 OD1 ASP A 357 1360 1312 1843 132 400 520 O ATOM 1098 OD2 ASP A 357 43.012 62.440 36.572 1.00 12.68 O ANISOU 1098 OD2 ASP A 357 1301 1437 2081 4 272 517 O ATOM 0 H ASP A 357 44.003 58.848 35.527 1.00 9.95 H new ATOM 0 HA ASP A 357 42.199 58.772 37.407 1.00 10.56 H new ATOM 0 HB2 ASP A 357 42.432 60.444 35.150 1.00 10.86 H new ATOM 0 HB3 ASP A 357 41.139 60.530 36.018 1.00 10.86 H new ATOM 1103 N GLN A 358 40.135 57.651 36.574 1.00 11.49 N ANISOU 1103 N GLN A 358 1139 1145 2080 -69 496 631 N ATOM 1104 CA GLN A 358 38.896 57.124 36.011 1.00 13.86 C ANISOU 1104 CA GLN A 358 1347 1427 2492 -141 493 621 C ATOM 1105 C GLN A 358 37.937 58.284 35.753 1.00 12.79 C ANISOU 1105 C GLN A 358 1079 1299 2481 -134 460 638 C ATOM 1106 O GLN A 358 37.819 59.190 36.572 1.00 14.40 O ANISOU 1106 O GLN A 358 1286 1474 2712 -59 538 663 O ATOM 1107 CB GLN A 358 38.248 56.098 36.945 1.00 17.74 C ANISOU 1107 CB GLN A 358 1907 1836 2998 -126 658 629 C ATOM 1108 CG GLN A 358 37.054 55.399 36.315 1.00 19.46 C ANISOU 1108 CG GLN A 358 2024 2037 3332 -228 658 608 C ATOM 1109 CD GLN A 358 36.250 54.577 37.297 1.00 24.94 C ANISOU 1109 CD GLN A 358 2766 2637 4071 -221 845 615 C ATOM 1110 OE1 GLN A 358 36.647 54.388 38.446 1.00 16.52 O ANISOU 1110 OE1 GLN A 358 1844 1511 2920 -128 977 636 O ATOM 1111 NE2 GLN A 358 35.102 54.090 36.847 1.00 17.81 N ANISOU 1111 NE2 GLN A 358 1751 1721 3294 -317 861 594 N ATOM 0 H GLN A 358 40.152 57.690 37.433 1.00 11.49 H new ATOM 0 HA GLN A 358 39.100 56.670 35.178 1.00 13.86 H new ATOM 0 HB2 GLN A 358 38.909 55.435 37.198 1.00 17.74 H new ATOM 0 HB3 GLN A 358 37.965 56.542 37.760 1.00 17.74 H new ATOM 0 HG2 GLN A 358 36.475 56.064 35.911 1.00 19.46 H new ATOM 0 HG3 GLN A 358 37.366 54.822 35.600 1.00 19.46 H new ATOM 0 HE21 GLN A 358 34.858 54.244 36.037 1.00 17.81 H new ATOM 0 HE22 GLN A 358 34.601 53.621 37.365 1.00 17.81 H new ATOM 1120 N ILE A 359 37.267 58.268 34.607 1.00 13.14 N ANISOU 1120 N ILE A 359 1021 1376 2596 -204 349 629 N ATOM 1121 CA ILE A 359 36.270 59.283 34.307 1.00 13.95 C ANISOU 1121 CA ILE A 359 998 1475 2829 -184 312 663 C ATOM 1122 C ILE A 359 34.943 58.784 34.851 1.00 15.63 C ANISOU 1122 C ILE A 359 1127 1636 3174 -197 431 663 C ATOM 1123 O ILE A 359 34.385 57.818 34.333 1.00 17.37 O ANISOU 1123 O ILE A 359 1303 1870 3428 -284 414 630 O ATOM 1124 CB ILE A 359 36.184 59.578 32.803 1.00 13.96 C ANISOU 1124 CB ILE A 359 941 1533 2829 -239 132 664 C ATOM 1125 CG1 ILE A 359 37.525 60.111 32.291 1.00 16.96 C ANISOU 1125 CG1 ILE A 359 1416 1952 3078 -232 41 660 C ATOM 1126 CG2 ILE A 359 35.067 60.574 32.525 1.00 16.61 C ANISOU 1126 CG2 ILE A 359 1143 1855 3315 -208 95 717 C ATOM 1127 CD1 ILE A 359 37.561 60.379 30.799 1.00 29.17 C ANISOU 1127 CD1 ILE A 359 2949 3541 4594 -283 -116 669 C ATOM 0 H ILE A 359 37.376 57.678 33.991 1.00 13.14 H new ATOM 0 HA ILE A 359 36.516 60.123 34.725 1.00 13.95 H new ATOM 0 HB ILE A 359 35.983 58.754 32.332 1.00 13.96 H new ATOM 0 HG12 ILE A 359 37.736 60.933 32.762 1.00 16.96 H new ATOM 0 HG13 ILE A 359 38.221 59.472 32.511 1.00 16.96 H new ATOM 0 HG21 ILE A 359 35.022 60.753 31.573 1.00 16.61 H new ATOM 0 HG22 ILE A 359 34.222 60.204 32.824 1.00 16.61 H new ATOM 0 HG23 ILE A 359 35.244 61.401 33.001 1.00 16.61 H new ATOM 0 HD11 ILE A 359 38.437 60.713 30.551 1.00 29.17 H new ATOM 0 HD12 ILE A 359 37.380 59.556 30.318 1.00 29.17 H new ATOM 0 HD13 ILE A 359 36.888 61.040 30.572 1.00 29.17 H new ATOM 1139 N LEU A 360 34.440 59.429 35.900 1.00 17.33 N ANISOU 1139 N LEU A 360 1326 1791 3469 -120 567 692 N ATOM 1140 CA LEU A 360 33.187 58.992 36.518 1.00 19.33 C ANISOU 1140 CA LEU A 360 1505 1985 3856 -131 710 687 C ATOM 1141 C LEU A 360 31.970 59.590 35.817 1.00 23.40 C ANISOU 1141 C LEU A 360 1826 2520 4544 -149 637 699 C ATOM 1142 O LEU A 360 30.927 58.952 35.717 1.00 21.32 O ANISOU 1142 O LEU A 360 1450 2255 4395 -213 678 669 O ATOM 1143 CB LEU A 360 33.151 59.365 38.000 1.00 20.05 C ANISOU 1143 CB LEU A 360 1686 1989 3944 -35 914 705 C ATOM 1144 CG LEU A 360 34.360 58.985 38.853 1.00 17.58 C ANISOU 1144 CG LEU A 360 1575 1658 3445 16 989 698 C ATOM 1145 CD1 LEU A 360 34.104 59.395 40.284 1.00 20.19 C ANISOU 1145 CD1 LEU A 360 2005 1898 3768 112 1196 711 C ATOM 1146 CD2 LEU A 360 34.659 57.497 38.767 1.00 23.27 C ANISOU 1146 CD2 LEU A 360 2379 2377 4085 -49 1004 672 C ATOM 0 H LEU A 360 34.803 60.116 36.268 1.00 17.33 H new ATOM 0 HA LEU A 360 33.151 58.027 36.427 1.00 19.33 H new ATOM 0 HB2 LEU A 360 33.030 60.325 38.064 1.00 20.05 H new ATOM 0 HB3 LEU A 360 32.366 58.953 38.393 1.00 20.05 H new ATOM 0 HG LEU A 360 35.139 59.453 38.514 1.00 17.58 H new ATOM 0 HD11 LEU A 360 34.869 59.156 40.831 1.00 20.19 H new ATOM 0 HD12 LEU A 360 33.964 60.354 40.326 1.00 20.19 H new ATOM 0 HD13 LEU A 360 33.315 58.939 40.615 1.00 20.19 H new ATOM 0 HD21 LEU A 360 35.430 57.289 39.318 1.00 23.27 H new ATOM 0 HD22 LEU A 360 33.892 56.994 39.082 1.00 23.27 H new ATOM 0 HD23 LEU A 360 34.847 57.257 37.846 1.00 23.27 H new ATOM 1158 N SER A 361 32.099 60.820 35.339 1.00 19.24 N ANISOU 1158 N SER A 361 1256 2014 4041 -94 533 742 N ATOM 1159 CA SER A 361 31.014 61.443 34.592 1.00 20.79 C ANISOU 1159 CA SER A 361 1274 2236 4389 -95 441 761 C ATOM 1160 C SER A 361 31.513 62.543 33.664 1.00 20.03 C ANISOU 1160 C SER A 361 1182 2174 4254 -59 273 813 C ATOM 1161 O SER A 361 32.586 63.120 33.878 1.00 18.77 O ANISOU 1161 O SER A 361 1147 1995 3989 -20 276 838 O ATOM 1162 CB SER A 361 29.973 62.015 35.546 1.00 22.54 C ANISOU 1162 CB SER A 361 1405 2388 4772 -27 604 777 C ATOM 1163 OG SER A 361 30.545 63.013 36.369 1.00 21.76 O ANISOU 1163 OG SER A 361 1412 2223 4633 69 700 817 O ATOM 0 H SER A 361 32.800 61.309 35.434 1.00 19.24 H new ATOM 0 HA SER A 361 30.612 60.750 34.045 1.00 20.79 H new ATOM 0 HB2 SER A 361 29.235 62.390 35.040 1.00 22.54 H new ATOM 0 HB3 SER A 361 29.607 61.305 36.097 1.00 22.54 H new ATOM 0 HG SER A 361 30.546 62.752 37.167 1.00 21.76 H new ATOM 1169 N VAL A 362 30.724 62.794 32.622 1.00 21.37 N ANISOU 1169 N VAL A 362 1214 2399 4507 -76 128 821 N ATOM 1170 CA VAL A 362 30.980 63.840 31.639 1.00 21.27 C ANISOU 1170 CA VAL A 362 1199 2414 4467 -38 -34 878 C ATOM 1171 C VAL A 362 29.702 64.671 31.543 1.00 23.59 C ANISOU 1171 C VAL A 362 1317 2712 4935 40 -54 905 C ATOM 1172 O VAL A 362 28.659 64.167 31.128 1.00 25.46 O ANISOU 1172 O VAL A 362 1395 3008 5270 10 -112 863 O ATOM 1173 CB VAL A 362 31.382 63.252 30.264 1.00 21.84 C ANISOU 1173 CB VAL A 362 1306 2567 4425 -123 -224 857 C ATOM 1174 CG1 VAL A 362 31.424 64.337 29.189 1.00 27.30 C ANISOU 1174 CG1 VAL A 362 1991 3284 5097 -77 -392 920 C ATOM 1175 CG2 VAL A 362 32.737 62.566 30.353 1.00 26.12 C ANISOU 1175 CG2 VAL A 362 2026 3106 4793 -179 -198 829 C ATOM 0 H VAL A 362 30.006 62.348 32.464 1.00 21.37 H new ATOM 0 HA VAL A 362 31.729 64.391 31.914 1.00 21.27 H new ATOM 0 HB VAL A 362 30.709 62.599 30.016 1.00 21.84 H new ATOM 0 HG11 VAL A 362 31.678 63.942 28.340 1.00 27.30 H new ATOM 0 HG12 VAL A 362 30.548 64.745 29.106 1.00 27.30 H new ATOM 0 HG13 VAL A 362 32.073 65.014 29.437 1.00 27.30 H new ATOM 0 HG21 VAL A 362 32.974 62.204 29.485 1.00 26.12 H new ATOM 0 HG22 VAL A 362 33.408 63.210 30.628 1.00 26.12 H new ATOM 0 HG23 VAL A 362 32.694 61.847 31.002 1.00 26.12 H new ATOM 1185 N ASN A 363 29.788 65.935 31.949 1.00 23.69 N ANISOU 1185 N ASN A 363 1352 2665 4983 143 1 963 N ATOM 1186 CA ASN A 363 28.630 66.825 31.985 1.00 26.02 C ANISOU 1186 CA ASN A 363 1494 2955 5437 247 3 987 C ATOM 1187 C ASN A 363 27.461 66.195 32.747 1.00 27.81 C ANISOU 1187 C ASN A 363 1566 3178 5824 236 136 933 C ATOM 1188 O ASN A 363 26.305 66.277 32.325 1.00 30.23 O ANISOU 1188 O ASN A 363 1676 3543 6266 269 65 914 O ATOM 1189 CB ASN A 363 28.209 67.201 30.563 1.00 27.39 C ANISOU 1189 CB ASN A 363 1586 3214 5607 279 -236 1010 C ATOM 1190 CG ASN A 363 29.203 68.137 29.890 1.00 26.25 C ANISOU 1190 CG ASN A 363 1600 3049 5326 320 -334 1077 C ATOM 1191 OD1 ASN A 363 30.216 68.513 30.480 1.00 25.81 O ANISOU 1191 OD1 ASN A 363 1691 2923 5192 315 -225 1096 O ATOM 1192 ND2 ASN A 363 28.918 68.515 28.650 1.00 30.25 N ANISOU 1192 ND2 ASN A 363 2081 3618 5795 365 -540 1105 N ATOM 0 H ASN A 363 30.520 66.301 32.212 1.00 23.69 H new ATOM 0 HA ASN A 363 28.886 67.631 32.460 1.00 26.02 H new ATOM 0 HB2 ASN A 363 28.118 66.395 30.032 1.00 27.39 H new ATOM 0 HB3 ASN A 363 27.337 67.624 30.588 1.00 27.39 H new ATOM 0 HD21 ASN A 363 29.450 69.042 28.228 1.00 30.25 H new ATOM 0 HD22 ASN A 363 28.201 68.233 28.268 1.00 30.25 H new ATOM 1199 N GLY A 364 27.767 65.577 33.881 1.00 26.88 N ANISOU 1199 N GLY A 364 1536 2994 5685 197 331 904 N ATOM 1200 CA GLY A 364 26.743 64.981 34.720 1.00 30.09 C ANISOU 1200 CA GLY A 364 1828 3373 6231 180 497 855 C ATOM 1201 C GLY A 364 26.210 63.628 34.282 1.00 37.86 C ANISOU 1201 C GLY A 364 2708 4428 7248 59 451 784 C ATOM 1202 O GLY A 364 25.376 63.051 34.972 1.00 37.41 O ANISOU 1202 O GLY A 364 2558 4346 7310 26 604 738 O ATOM 0 H GLY A 364 28.568 65.493 34.182 1.00 26.88 H new ATOM 0 HA2 GLY A 364 27.101 64.890 35.617 1.00 30.09 H new ATOM 0 HA3 GLY A 364 25.997 65.598 34.773 1.00 30.09 H new ATOM 1206 N VAL A 365 26.677 63.114 33.149 1.00 29.02 N ANISOU 1206 N VAL A 365 1611 3394 6023 -14 257 768 N ATOM 1207 CA VAL A 365 26.274 61.784 32.707 1.00 29.85 C ANISOU 1207 CA VAL A 365 1640 3565 6136 -144 220 689 C ATOM 1208 C VAL A 365 27.232 60.757 33.277 1.00 30.00 C ANISOU 1208 C VAL A 365 1855 3532 6011 -218 334 666 C ATOM 1209 O VAL A 365 28.428 60.813 33.028 1.00 28.09 O ANISOU 1209 O VAL A 365 1786 3286 5603 -213 271 693 O ATOM 1210 CB VAL A 365 26.221 61.675 31.173 1.00 34.51 C ANISOU 1210 CB VAL A 365 2161 4275 6675 -189 -40 670 C ATOM 1211 CG1 VAL A 365 25.780 60.277 30.754 1.00 37.02 C ANISOU 1211 CG1 VAL A 365 2401 4661 7003 -339 -61 574 C ATOM 1212 CG2 VAL A 365 25.282 62.710 30.609 1.00 37.16 C ANISOU 1212 CG2 VAL A 365 2310 4671 7138 -88 -169 695 C ATOM 0 H VAL A 365 27.226 63.517 32.624 1.00 29.02 H new ATOM 0 HA VAL A 365 25.376 61.616 33.033 1.00 29.85 H new ATOM 0 HB VAL A 365 27.110 61.836 30.821 1.00 34.51 H new ATOM 0 HG11 VAL A 365 25.751 60.223 29.786 1.00 37.02 H new ATOM 0 HG12 VAL A 365 26.410 59.623 31.095 1.00 37.02 H new ATOM 0 HG13 VAL A 365 24.898 60.094 31.114 1.00 37.02 H new ATOM 0 HG21 VAL A 365 25.257 62.632 29.642 1.00 37.16 H new ATOM 0 HG22 VAL A 365 24.392 62.569 30.968 1.00 37.16 H new ATOM 0 HG23 VAL A 365 25.592 63.596 30.853 1.00 37.16 H new ATOM 1222 N ASP A 366 26.683 59.818 34.036 1.00 29.24 N ANISOU 1222 N ASP A 366 1729 3397 5983 -284 506 617 N ATOM 1223 CA ASP A 366 27.457 58.774 34.694 1.00 27.75 C ANISOU 1223 CA ASP A 366 1727 3150 5668 -339 635 598 C ATOM 1224 C ASP A 366 28.111 57.863 33.658 1.00 26.82 C ANISOU 1224 C ASP A 366 1673 3103 5413 -445 486 558 C ATOM 1225 O ASP A 366 27.436 57.290 32.812 1.00 28.21 O ANISOU 1225 O ASP A 366 1716 3354 5648 -546 390 503 O ATOM 1226 CB ASP A 366 26.532 57.988 35.635 1.00 32.09 C ANISOU 1226 CB ASP A 366 2218 3632 6342 -392 856 557 C ATOM 1227 CG ASP A 366 27.232 56.865 36.360 1.00 32.85 C ANISOU 1227 CG ASP A 366 2518 3654 6311 -437 1003 545 C ATOM 1228 OD1 ASP A 366 28.474 56.802 36.328 1.00 34.49 O ANISOU 1228 OD1 ASP A 366 2908 3860 6336 -405 949 569 O ATOM 1229 OD2 ASP A 366 26.524 56.044 36.987 1.00 32.51 O ANISOU 1229 OD2 ASP A 366 2451 3547 6354 -500 1180 511 O ATOM 0 H ASP A 366 25.838 59.768 34.186 1.00 29.24 H new ATOM 0 HA ASP A 366 28.171 59.170 35.218 1.00 27.75 H new ATOM 0 HB2 ASP A 366 26.151 58.597 36.287 1.00 32.09 H new ATOM 0 HB3 ASP A 366 25.794 57.623 35.122 1.00 32.09 H new ATOM 1234 N LEU A 367 29.435 57.744 33.711 1.00 29.53 N ANISOU 1234 N LEU A 367 2217 3429 5574 -423 466 580 N ATOM 1235 CA LEU A 367 30.165 56.918 32.751 1.00 23.43 C ANISOU 1235 CA LEU A 367 1526 2712 4663 -514 342 541 C ATOM 1236 C LEU A 367 30.865 55.739 33.410 1.00 24.59 C ANISOU 1236 C LEU A 367 1842 2801 4699 -559 474 519 C ATOM 1237 O LEU A 367 31.659 55.044 32.770 1.00 22.43 O ANISOU 1237 O LEU A 367 1671 2555 4297 -620 400 491 O ATOM 1238 CB LEU A 367 31.208 57.761 32.000 1.00 22.57 C ANISOU 1238 CB LEU A 367 1504 2643 4429 -454 180 580 C ATOM 1239 CG LEU A 367 30.721 58.740 30.926 1.00 32.21 C ANISOU 1239 CG LEU A 367 2602 3927 5708 -427 -3 606 C ATOM 1240 CD1 LEU A 367 31.911 59.311 30.191 1.00 31.20 C ANISOU 1240 CD1 LEU A 367 2609 3818 5427 -397 -131 644 C ATOM 1241 CD2 LEU A 367 29.758 58.080 29.943 1.00 31.68 C ANISOU 1241 CD2 LEU A 367 2386 3940 5711 -530 -110 540 C ATOM 0 H LEU A 367 29.931 58.134 34.296 1.00 29.53 H new ATOM 0 HA LEU A 367 29.506 56.569 32.131 1.00 23.43 H new ATOM 0 HB2 LEU A 367 31.706 58.270 32.659 1.00 22.57 H new ATOM 0 HB3 LEU A 367 31.834 57.150 31.581 1.00 22.57 H new ATOM 0 HG LEU A 367 30.233 59.453 31.368 1.00 32.21 H new ATOM 0 HD11 LEU A 367 31.604 59.931 29.511 1.00 31.20 H new ATOM 0 HD12 LEU A 367 32.485 59.778 30.818 1.00 31.20 H new ATOM 0 HD13 LEU A 367 32.408 58.591 29.772 1.00 31.20 H new ATOM 0 HD21 LEU A 367 29.474 58.730 29.282 1.00 31.68 H new ATOM 0 HD22 LEU A 367 30.204 57.342 29.499 1.00 31.68 H new ATOM 0 HD23 LEU A 367 28.983 57.748 30.423 1.00 31.68 H new ATOM 1253 N ARG A 368 30.576 55.498 34.683 1.00 23.85 N ANISOU 1253 N ARG A 368 1790 2618 4653 -522 677 534 N ATOM 1254 CA ARG A 368 31.318 54.485 35.426 1.00 37.83 C ANISOU 1254 CA ARG A 368 3750 4317 6307 -529 807 532 C ATOM 1255 C ARG A 368 31.196 53.095 34.799 1.00 42.10 C ANISOU 1255 C ARG A 368 4308 4861 6827 -673 793 482 C ATOM 1256 O ARG A 368 32.119 52.284 34.896 1.00 34.46 O ANISOU 1256 O ARG A 368 3508 3858 5727 -682 816 483 O ATOM 1257 CB ARG A 368 30.846 54.446 36.876 1.00 25.48 C ANISOU 1257 CB ARG A 368 2236 2644 4803 -463 1042 554 C ATOM 1258 CG ARG A 368 31.306 55.629 37.706 1.00 27.89 C ANISOU 1258 CG ARG A 368 2605 2922 5069 -318 1089 602 C ATOM 1259 CD ARG A 368 30.687 55.598 39.082 1.00 28.06 C ANISOU 1259 CD ARG A 368 2681 2831 5151 -259 1334 613 C ATOM 1260 NE ARG A 368 29.231 55.571 38.978 1.00 26.40 N ANISOU 1260 NE ARG A 368 2277 2605 5150 -324 1400 588 N ATOM 1261 CZ ARG A 368 28.412 54.981 39.848 1.00 28.46 C ANISOU 1261 CZ ARG A 368 2550 2765 5499 -347 1621 571 C ATOM 1262 NH1 ARG A 368 28.879 54.381 40.933 1.00 28.59 N ANISOU 1262 NH1 ARG A 368 2788 2675 5398 -296 1803 584 N ATOM 1263 NH2 ARG A 368 27.114 55.007 39.632 1.00 30.73 N ANISOU 1263 NH2 ARG A 368 2626 3057 5991 -416 1662 539 N ATOM 0 H ARG A 368 29.963 55.903 35.131 1.00 23.85 H new ATOM 0 HA ARG A 368 32.255 54.735 35.393 1.00 37.83 H new ATOM 0 HB2 ARG A 368 29.877 54.410 36.890 1.00 25.48 H new ATOM 0 HB3 ARG A 368 31.166 53.629 37.289 1.00 25.48 H new ATOM 0 HG2 ARG A 368 32.273 55.618 37.782 1.00 27.89 H new ATOM 0 HG3 ARG A 368 31.066 56.455 37.258 1.00 27.89 H new ATOM 0 HD2 ARG A 368 30.998 54.817 39.567 1.00 28.06 H new ATOM 0 HD3 ARG A 368 30.968 56.376 39.588 1.00 28.06 H new ATOM 0 HE ARG A 368 28.874 55.967 38.303 1.00 26.40 H new ATOM 0 HH11 ARG A 368 29.725 54.367 41.086 1.00 28.59 H new ATOM 0 HH12 ARG A 368 28.336 54.005 41.484 1.00 28.59 H new ATOM 0 HH21 ARG A 368 26.802 55.402 38.935 1.00 30.73 H new ATOM 0 HH22 ARG A 368 26.578 54.629 40.188 1.00 30.73 H new ATOM 1277 N ASN A 369 30.071 52.825 34.145 1.00 24.88 N ANISOU 1277 N ASN A 369 1951 2722 4780 -784 752 437 N ATOM 1278 CA ASN A 369 29.833 51.508 33.564 1.00 26.05 C ANISOU 1278 CA ASN A 369 2106 2867 4926 -939 749 385 C ATOM 1279 C ASN A 369 29.639 51.578 32.054 1.00 39.72 C ANISOU 1279 C ASN A 369 3721 4721 6650 -1039 531 332 C ATOM 1280 O ASN A 369 29.135 50.645 31.444 1.00 31.32 O ANISOU 1280 O ASN A 369 2606 3674 5620 -1188 507 277 O ATOM 1281 CB ASN A 369 28.616 50.850 34.216 1.00 43.70 C ANISOU 1281 CB ASN A 369 4245 5029 7329 -1014 928 360 C ATOM 1282 CG ASN A 369 28.878 50.449 35.656 1.00 66.71 C ANISOU 1282 CG ASN A 369 7331 7797 10217 -931 1171 398 C ATOM 1283 OD1 ASN A 369 29.562 49.458 35.919 1.00 39.90 O ANISOU 1283 OD1 ASN A 369 4124 4322 6716 -943 1247 404 O ATOM 1284 ND2 ASN A 369 28.340 51.220 36.596 1.00 37.92 N ANISOU 1284 ND2 ASN A 369 3636 4108 6663 -836 1300 423 N ATOM 0 H ASN A 369 29.433 53.390 34.026 1.00 24.88 H new ATOM 0 HA ASN A 369 30.622 50.970 33.737 1.00 26.05 H new ATOM 0 HB2 ASN A 369 27.865 51.463 34.185 1.00 43.70 H new ATOM 0 HB3 ASN A 369 28.363 50.065 33.705 1.00 43.70 H new ATOM 0 HD21 ASN A 369 28.464 51.035 37.427 1.00 37.92 H new ATOM 0 HD22 ASN A 369 27.868 51.904 36.373 1.00 37.92 H new ATOM 1291 N ALA A 370 30.061 52.681 31.450 1.00 27.27 N ANISOU 1291 N ALA A 370 2117 3220 5023 -953 377 348 N ATOM 1292 CA ALA A 370 29.928 52.854 30.006 1.00 28.74 C ANISOU 1292 CA ALA A 370 2217 3515 5188 -1017 172 297 C ATOM 1293 C ALA A 370 31.005 52.088 29.258 1.00 27.50 C ANISOU 1293 C ALA A 370 2229 3361 4859 -1083 115 259 C ATOM 1294 O ALA A 370 32.083 51.850 29.794 1.00 29.37 O ANISOU 1294 O ALA A 370 2645 3533 4981 -1030 190 293 O ATOM 1295 CB ALA A 370 29.995 54.328 29.650 1.00 37.33 C ANISOU 1295 CB ALA A 370 3238 4653 6292 -883 39 346 C ATOM 0 H ALA A 370 30.428 53.344 31.857 1.00 27.27 H new ATOM 0 HA ALA A 370 29.066 52.498 29.739 1.00 28.74 H new ATOM 0 HB1 ALA A 370 29.906 54.434 28.690 1.00 37.33 H new ATOM 0 HB2 ALA A 370 29.275 54.802 30.095 1.00 37.33 H new ATOM 0 HB3 ALA A 370 30.847 54.692 29.937 1.00 37.33 H new ATOM 1301 N SER A 371 30.716 51.720 28.011 1.00 26.95 N ANISOU 1301 N SER A 371 2098 3366 4775 -1192 -19 182 N ATOM 1302 CA SER A 371 31.744 51.201 27.114 1.00 31.74 C ANISOU 1302 CA SER A 371 2855 3973 5231 -1236 -82 131 C ATOM 1303 C SER A 371 32.632 52.348 26.637 1.00 28.30 C ANISOU 1303 C SER A 371 2475 3561 4718 -1090 -202 180 C ATOM 1304 O SER A 371 32.276 53.515 26.787 1.00 24.03 O ANISOU 1304 O SER A 371 1844 3050 4236 -987 -267 247 O ATOM 1305 CB SER A 371 31.114 50.499 25.915 1.00 45.64 C ANISOU 1305 CB SER A 371 4532 5800 7008 -1394 -185 20 C ATOM 1306 OG SER A 371 30.522 51.444 25.042 1.00 27.25 O ANISOU 1306 OG SER A 371 2048 3571 4734 -1341 -375 10 O ATOM 0 H SER A 371 29.930 51.763 27.666 1.00 26.95 H new ATOM 0 HA SER A 371 32.280 50.554 27.598 1.00 31.74 H new ATOM 0 HB2 SER A 371 31.789 49.990 25.440 1.00 45.64 H new ATOM 0 HB3 SER A 371 30.444 49.867 26.219 1.00 45.64 H new ATOM 0 HG SER A 371 29.998 51.050 24.517 1.00 27.25 H new ATOM 1312 N ALA A 372 33.780 52.016 26.057 1.00 21.10 N ANISOU 1312 N ALA A 372 1714 2625 3678 -1086 -227 158 N ATOM 1313 CA ALA A 372 34.679 53.027 25.521 1.00 20.88 C ANISOU 1313 CA ALA A 372 1756 2621 3557 -975 -343 220 C ATOM 1314 C ALA A 372 34.017 53.806 24.388 1.00 22.87 C ANISOU 1314 C ALA A 372 1908 2952 3830 -972 -540 233 C ATOM 1315 O ALA A 372 34.196 55.019 24.257 1.00 25.64 O ANISOU 1315 O ALA A 372 2262 3323 4158 -876 -625 323 O ATOM 1316 CB ALA A 372 35.964 52.378 25.034 1.00 27.70 C ANISOU 1316 CB ALA A 372 2783 3447 4293 -987 -327 188 C ATOM 0 H ALA A 372 34.057 51.207 25.964 1.00 21.10 H new ATOM 0 HA ALA A 372 34.890 53.653 26.232 1.00 20.88 H new ATOM 0 HB1 ALA A 372 36.556 53.059 24.679 1.00 27.70 H new ATOM 0 HB2 ALA A 372 36.399 51.926 25.774 1.00 27.70 H new ATOM 0 HB3 ALA A 372 35.758 51.734 24.338 1.00 27.70 H new ATOM 1322 N GLU A 373 33.258 53.099 23.562 1.00 22.45 N ANISOU 1322 N GLU A 373 1773 2941 3815 -1084 -614 142 N ATOM 1323 CA GLU A 373 32.559 53.722 22.444 1.00 24.14 C ANISOU 1323 CA GLU A 373 1891 3244 4038 -1083 -824 143 C ATOM 1324 C GLU A 373 31.560 54.737 22.989 1.00 27.26 C ANISOU 1324 C GLU A 373 2116 3678 4565 -1004 -855 208 C ATOM 1325 O GLU A 373 31.425 55.844 22.475 1.00 25.42 O ANISOU 1325 O GLU A 373 1861 3482 4316 -916 -998 284 O ATOM 1326 CB GLU A 373 31.855 52.658 21.598 1.00 26.44 C ANISOU 1326 CB GLU A 373 2106 3582 4358 -1229 -890 5 C ATOM 1327 CG GLU A 373 31.083 53.198 20.409 1.00 39.54 C ANISOU 1327 CG GLU A 373 3663 5353 6010 -1228 -1131 -11 C ATOM 1328 CD GLU A 373 30.172 52.151 19.797 1.00 66.03 C ANISOU 1328 CD GLU A 373 6890 8773 9424 -1384 -1187 -172 C ATOM 1329 OE1 GLU A 373 30.212 50.990 20.257 1.00 72.55 O ANISOU 1329 OE1 GLU A 373 7731 9538 10295 -1506 -1021 -266 O ATOM 1330 OE2 GLU A 373 29.413 52.489 18.865 1.00 74.13 O ANISOU 1330 OE2 GLU A 373 7806 9914 10447 -1388 -1395 -207 O ATOM 0 H GLU A 373 33.133 52.251 23.631 1.00 22.45 H new ATOM 0 HA GLU A 373 33.195 54.179 21.872 1.00 24.14 H new ATOM 0 HB2 GLU A 373 32.518 52.027 21.277 1.00 26.44 H new ATOM 0 HB3 GLU A 373 31.244 52.163 22.166 1.00 26.44 H new ATOM 0 HG2 GLU A 373 30.554 53.962 20.688 1.00 39.54 H new ATOM 0 HG3 GLU A 373 31.707 53.515 19.737 1.00 39.54 H new ATOM 1337 N GLN A 374 30.867 54.339 24.048 1.00 25.66 N ANISOU 1337 N GLN A 374 1804 3454 4490 -1036 -707 184 N ATOM 1338 CA GLN A 374 29.892 55.194 24.701 1.00 26.72 C ANISOU 1338 CA GLN A 374 1768 3610 4774 -959 -699 239 C ATOM 1339 C GLN A 374 30.553 56.430 25.267 1.00 24.82 C ANISOU 1339 C GLN A 374 1613 3312 4505 -807 -676 362 C ATOM 1340 O GLN A 374 30.027 57.539 25.151 1.00 25.63 O ANISOU 1340 O GLN A 374 1621 3440 4678 -712 -766 426 O ATOM 1341 CB GLN A 374 29.195 54.421 25.815 1.00 27.61 C ANISOU 1341 CB GLN A 374 1793 3689 5010 -1034 -508 201 C ATOM 1342 CG GLN A 374 28.077 55.164 26.515 1.00 37.98 C ANISOU 1342 CG GLN A 374 2910 5016 6504 -965 -473 242 C ATOM 1343 CD GLN A 374 27.298 54.255 27.448 1.00 75.15 C ANISOU 1343 CD GLN A 374 7529 9689 11334 -1067 -287 200 C ATOM 1344 OE1 GLN A 374 27.360 53.027 27.329 1.00 44.39 O ANISOU 1344 OE1 GLN A 374 3687 5782 7396 -1217 -227 134 O ATOM 1345 NE2 GLN A 374 26.570 54.849 28.388 1.00 67.96 N ANISOU 1345 NE2 GLN A 374 6499 8747 10578 -989 -182 245 N ATOM 0 H GLN A 374 30.951 53.562 24.408 1.00 25.66 H new ATOM 0 HA GLN A 374 29.237 55.474 24.042 1.00 26.72 H new ATOM 0 HB2 GLN A 374 28.835 53.600 25.443 1.00 27.61 H new ATOM 0 HB3 GLN A 374 29.858 54.166 26.476 1.00 27.61 H new ATOM 0 HG2 GLN A 374 28.447 55.906 27.019 1.00 37.98 H new ATOM 0 HG3 GLN A 374 27.476 55.542 25.854 1.00 37.98 H new ATOM 0 HE21 GLN A 374 26.552 55.707 28.439 1.00 67.96 H new ATOM 0 HE22 GLN A 374 26.117 54.375 28.945 1.00 67.96 H new ATOM 1354 N ALA A 375 31.706 56.230 25.894 1.00 22.53 N ANISOU 1354 N ALA A 375 1500 2948 4114 -784 -554 388 N ATOM 1355 CA ALA A 375 32.460 57.337 26.475 1.00 20.77 C ANISOU 1355 CA ALA A 375 1366 2675 3851 -662 -522 488 C ATOM 1356 C ALA A 375 32.923 58.300 25.390 1.00 20.52 C ANISOU 1356 C ALA A 375 1394 2672 3730 -618 -692 550 C ATOM 1357 O ALA A 375 32.815 59.522 25.540 1.00 20.53 O ANISOU 1357 O ALA A 375 1369 2657 3772 -528 -727 635 O ATOM 1358 CB ALA A 375 33.645 56.808 27.261 1.00 23.35 C ANISOU 1358 CB ALA A 375 1857 2943 4071 -655 -381 481 C ATOM 0 H ALA A 375 32.071 55.458 25.995 1.00 22.53 H new ATOM 0 HA ALA A 375 31.878 57.822 27.081 1.00 20.77 H new ATOM 0 HB1 ALA A 375 34.138 57.551 27.642 1.00 23.35 H new ATOM 0 HB2 ALA A 375 33.329 56.231 27.974 1.00 23.35 H new ATOM 0 HB3 ALA A 375 34.226 56.304 26.670 1.00 23.35 H new ATOM 1364 N ALA A 376 33.428 57.745 24.293 1.00 20.49 N ANISOU 1364 N ALA A 376 1479 2701 3604 -689 -787 509 N ATOM 1365 CA ALA A 376 33.907 58.557 23.184 1.00 27.52 C ANISOU 1365 CA ALA A 376 2458 3614 4387 -667 -940 569 C ATOM 1366 C ALA A 376 32.777 59.419 22.625 1.00 25.16 C ANISOU 1366 C ALA A 376 2020 3367 4174 -615 -1096 608 C ATOM 1367 O ALA A 376 32.982 60.590 22.284 1.00 25.91 O ANISOU 1367 O ALA A 376 2160 3450 4234 -540 -1175 699 O ATOM 1368 CB ALA A 376 34.493 57.673 22.099 1.00 25.58 C ANISOU 1368 CB ALA A 376 2326 3392 4002 -760 -1004 505 C ATOM 0 H ALA A 376 33.502 56.897 24.172 1.00 20.49 H new ATOM 0 HA ALA A 376 34.605 59.146 23.510 1.00 27.52 H new ATOM 0 HB1 ALA A 376 34.808 58.225 21.367 1.00 25.58 H new ATOM 0 HB2 ALA A 376 35.235 57.164 22.462 1.00 25.58 H new ATOM 0 HB3 ALA A 376 33.811 57.064 21.774 1.00 25.58 H new ATOM 1374 N ILE A 377 31.581 58.844 22.548 1.00 24.71 N ANISOU 1374 N ILE A 377 1787 3370 4231 -651 -1136 533 N ATOM 1375 CA ILE A 377 30.419 59.551 22.023 1.00 27.23 C ANISOU 1375 CA ILE A 377 1942 3765 4640 -588 -1296 549 C ATOM 1376 C ILE A 377 30.037 60.693 22.958 1.00 27.16 C ANISOU 1376 C ILE A 377 1850 3710 4759 -462 -1226 637 C ATOM 1377 O ILE A 377 29.805 61.820 22.516 1.00 28.12 O ANISOU 1377 O ILE A 377 1960 3846 4879 -355 -1342 713 O ATOM 1378 CB ILE A 377 29.237 58.575 21.813 1.00 29.68 C ANISOU 1378 CB ILE A 377 2055 4168 5057 -676 -1340 425 C ATOM 1379 CG1 ILE A 377 29.528 57.667 20.613 1.00 30.36 C ANISOU 1379 CG1 ILE A 377 2224 4307 5004 -788 -1459 337 C ATOM 1380 CG2 ILE A 377 27.930 59.331 21.608 1.00 32.50 C ANISOU 1380 CG2 ILE A 377 2190 4614 5547 -587 -1473 437 C ATOM 1381 CD1 ILE A 377 28.642 56.449 20.523 1.00 32.38 C ANISOU 1381 CD1 ILE A 377 2320 4635 5349 -925 -1451 190 C ATOM 0 H ILE A 377 31.421 58.037 22.798 1.00 24.71 H new ATOM 0 HA ILE A 377 30.644 59.929 21.159 1.00 27.23 H new ATOM 0 HB ILE A 377 29.139 58.030 22.610 1.00 29.68 H new ATOM 0 HG12 ILE A 377 29.431 58.185 19.799 1.00 30.36 H new ATOM 0 HG13 ILE A 377 30.453 57.378 20.657 1.00 30.36 H new ATOM 0 HG21 ILE A 377 27.207 58.698 21.479 1.00 32.50 H new ATOM 0 HG22 ILE A 377 27.746 59.877 22.388 1.00 32.50 H new ATOM 0 HG23 ILE A 377 28.004 59.900 20.826 1.00 32.50 H new ATOM 0 HD11 ILE A 377 28.886 55.928 19.742 1.00 32.38 H new ATOM 0 HD12 ILE A 377 28.754 55.908 21.320 1.00 32.38 H new ATOM 0 HD13 ILE A 377 27.716 56.727 20.449 1.00 32.38 H new ATOM 1393 N ALA A 378 29.980 60.393 24.252 1.00 26.19 N ANISOU 1393 N ALA A 378 1686 3528 4738 -468 -1027 624 N ATOM 1394 CA ALA A 378 29.652 61.392 25.263 1.00 26.13 C ANISOU 1394 CA ALA A 378 1611 3463 4853 -356 -927 696 C ATOM 1395 C ALA A 378 30.639 62.547 25.223 1.00 24.53 C ANISOU 1395 C ALA A 378 1567 3197 4557 -276 -937 800 C ATOM 1396 O ALA A 378 30.260 63.714 25.339 1.00 25.37 O ANISOU 1396 O ALA A 378 1622 3284 4732 -163 -963 871 O ATOM 1397 CB ALA A 378 29.644 60.768 26.643 1.00 25.21 C ANISOU 1397 CB ALA A 378 1482 3283 4815 -385 -701 664 C ATOM 0 H ALA A 378 30.130 59.607 24.568 1.00 26.19 H new ATOM 0 HA ALA A 378 28.766 61.735 25.068 1.00 26.13 H new ATOM 0 HB1 ALA A 378 29.425 61.444 27.303 1.00 25.21 H new ATOM 0 HB2 ALA A 378 28.982 60.060 26.674 1.00 25.21 H new ATOM 0 HB3 ALA A 378 30.520 60.400 26.837 1.00 25.21 H new ATOM 1403 N LEU A 379 31.912 62.223 25.056 1.00 25.22 N ANISOU 1403 N LEU A 379 1841 3253 4488 -336 -908 804 N ATOM 1404 CA LEU A 379 32.947 63.243 25.097 1.00 22.20 C ANISOU 1404 CA LEU A 379 1601 2814 4021 -289 -894 888 C ATOM 1405 C LEU A 379 32.885 64.101 23.842 1.00 27.51 C ANISOU 1405 C LEU A 379 2316 3517 4620 -248 -1078 945 C ATOM 1406 O LEU A 379 33.061 65.313 23.916 1.00 29.88 O ANISOU 1406 O LEU A 379 2654 3773 4925 -160 -1081 1024 O ATOM 1407 CB LEU A 379 34.329 62.601 25.265 1.00 19.25 C ANISOU 1407 CB LEU A 379 1394 2415 3505 -364 -811 859 C ATOM 1408 CG LEU A 379 34.598 62.069 26.676 1.00 17.97 C ANISOU 1408 CG LEU A 379 1235 2211 3382 -354 -623 820 C ATOM 1409 CD1 LEU A 379 35.772 61.094 26.719 1.00 17.12 C ANISOU 1409 CD1 LEU A 379 1269 2110 3127 -414 -566 757 C ATOM 1410 CD2 LEU A 379 34.864 63.226 27.629 1.00 22.14 C ANISOU 1410 CD2 LEU A 379 1768 2677 3968 -268 -530 885 C ATOM 0 H LEU A 379 32.197 61.423 24.918 1.00 25.22 H new ATOM 0 HA LEU A 379 32.794 63.817 25.864 1.00 22.20 H new ATOM 0 HB2 LEU A 379 34.416 61.872 24.632 1.00 19.25 H new ATOM 0 HB3 LEU A 379 35.009 63.255 25.040 1.00 19.25 H new ATOM 0 HG LEU A 379 33.804 61.585 26.952 1.00 17.97 H new ATOM 0 HD11 LEU A 379 35.903 60.785 27.629 1.00 17.12 H new ATOM 0 HD12 LEU A 379 35.584 60.335 26.145 1.00 17.12 H new ATOM 0 HD13 LEU A 379 36.576 61.541 26.410 1.00 17.12 H new ATOM 0 HD21 LEU A 379 35.033 62.880 28.519 1.00 22.14 H new ATOM 0 HD22 LEU A 379 35.638 63.725 27.324 1.00 22.14 H new ATOM 0 HD23 LEU A 379 34.091 63.811 27.652 1.00 22.14 H new ATOM 1422 N ALYS A 380 32.650 63.458 22.698 0.69 23.70 N ANISOU 1422 N ALYS A 380 1844 3107 4055 -306 -1224 901 N ATOM 1423 N BLYS A 380 32.603 63.493 22.698 0.31 23.79 N ANISOU 1423 N BLYS A 380 1849 3119 4071 -301 -1227 902 N ATOM 1424 CA ALYS A 380 32.500 64.153 21.417 0.69 30.08 C ANISOU 1424 CA ALYS A 380 2713 3953 4761 -254 -1416 948 C ATOM 1425 CA BLYS A 380 32.575 64.251 21.454 0.31 27.24 C ANISOU 1425 CA BLYS A 380 2366 3587 4399 -249 -1409 956 C ATOM 1426 C ALYS A 380 31.331 65.118 21.456 0.69 27.64 C ANISOU 1426 C ALYS A 380 2260 3668 4572 -104 -1496 994 C ATOM 1427 C BLYS A 380 31.270 65.041 21.316 0.31 30.09 C ANISOU 1427 C BLYS A 380 2568 3991 4874 -109 -1518 987 C ATOM 1428 O ALYS A 380 31.398 66.225 20.917 0.69 29.94 O ANISOU 1428 O ALYS A 380 2639 3941 4796 6 -1580 1076 O ATOM 1429 O BLYS A 380 31.186 65.964 20.504 0.31 38.05 O ANISOU 1429 O BLYS A 380 3652 5008 5797 -7 -1648 1055 O ATOM 1430 CB ALYS A 380 32.280 63.155 20.273 0.69 30.18 C ANISOU 1430 CB ALYS A 380 2742 4051 4674 -340 -1557 870 C ATOM 1431 CB BLYS A 380 32.789 63.318 20.257 0.31 36.32 C ANISOU 1431 CB BLYS A 380 3599 4800 5402 -350 -1530 893 C ATOM 1432 CG ALYS A 380 33.498 62.900 19.408 0.69 39.41 C ANISOU 1432 CG ALYS A 380 4140 5201 5635 -426 -1580 874 C ATOM 1433 CG BLYS A 380 31.536 62.889 19.518 0.31 28.63 C ANISOU 1433 CG BLYS A 380 2475 3933 4468 -335 -1700 831 C ATOM 1434 CD ALYS A 380 33.323 61.645 18.558 0.69 42.41 C ANISOU 1434 CD ALYS A 380 4527 5649 5939 -532 -1663 771 C ATOM 1435 CD BLYS A 380 31.838 61.776 18.512 0.31 41.71 C ANISOU 1435 CD BLYS A 380 4220 5642 5985 -459 -1782 745 C ATOM 1436 CE ALYS A 380 32.116 61.742 17.631 0.69 55.71 C ANISOU 1436 CE ALYS A 380 6102 7437 7627 -478 -1877 745 C ATOM 1437 CE BLYS A 380 33.138 62.029 17.752 0.31 43.94 C ANISOU 1437 CE BLYS A 380 4767 5875 6054 -497 -1789 794 C ATOM 1438 NZ ALYS A 380 31.980 60.535 16.765 0.69 58.44 N ANISOU 1438 NZ ALYS A 380 6462 7852 7891 -592 -1963 631 N ATOM 1439 NZ BLYS A 380 33.286 61.179 16.538 0.31 39.61 N ANISOU 1439 NZ BLYS A 380 4319 5381 5350 -588 -1903 721 N ATOM 0 H ALYS A 380 32.573 62.603 22.642 0.69 23.79 H new ATOM 0 H BLYS A 380 32.427 62.655 22.619 0.31 23.79 H new ATOM 0 HA ALYS A 380 33.320 64.647 21.261 0.69 27.24 H new ATOM 0 HA BLYS A 380 33.301 64.894 21.472 0.31 27.24 H new ATOM 0 HB2ALYS A 380 31.984 62.311 20.649 0.69 36.32 H new ATOM 0 HB2BLYS A 380 33.380 63.759 19.627 0.31 36.32 H new ATOM 0 HB3ALYS A 380 31.561 63.482 19.709 0.69 36.32 H new ATOM 0 HB3BLYS A 380 33.249 62.522 20.568 0.31 36.32 H new ATOM 0 HG2ALYS A 380 33.653 63.664 18.831 0.69 28.63 H new ATOM 0 HG2BLYS A 380 30.872 62.581 20.154 0.31 28.63 H new ATOM 0 HG3ALYS A 380 34.282 62.805 19.971 0.69 28.63 H new ATOM 0 HG3BLYS A 380 31.154 63.651 19.055 0.31 28.63 H new ATOM 0 HD2ALYS A 380 34.124 61.500 18.030 0.69 41.71 H new ATOM 0 HD2BLYS A 380 31.897 60.927 18.978 0.31 41.71 H new ATOM 0 HD3ALYS A 380 33.222 60.874 19.138 0.69 41.71 H new ATOM 0 HD3BLYS A 380 31.105 61.703 17.881 0.31 41.71 H new ATOM 0 HE2ALYS A 380 31.311 61.852 18.160 0.69 43.94 H new ATOM 0 HE2BLYS A 380 33.177 62.963 17.492 0.31 43.94 H new ATOM 0 HE3ALYS A 380 32.199 62.532 17.074 0.69 43.94 H new ATOM 0 HE3BLYS A 380 33.889 61.868 18.345 0.31 43.94 H new ATOM 0 HZ1ALYS A 380 31.268 60.626 16.239 0.69 39.61 H new ATOM 0 HZ1BLYS A 380 34.057 61.367 16.136 0.31 39.61 H new ATOM 0 HZ2ALYS A 380 32.710 60.446 16.263 0.69 39.61 H new ATOM 0 HZ2BLYS A 380 33.276 60.321 16.773 0.31 39.61 H new ATOM 0 HZ3ALYS A 380 31.881 59.813 17.275 0.69 39.61 H new ATOM 0 HZ3BLYS A 380 32.613 61.341 15.978 0.31 39.61 H new ATOM 1466 N ASN A 381 30.259 64.685 22.106 1.00 29.85 N ANISOU 1466 N ASN A 381 2327 3988 5028 -93 -1457 938 N ATOM 1467 CA ASN A 381 28.993 65.420 22.107 1.00 31.74 C ANISOU 1467 CA ASN A 381 2385 4275 5401 49 -1540 959 C ATOM 1468 C ASN A 381 28.881 66.394 23.277 1.00 37.74 C ANISOU 1468 C ASN A 381 3104 4944 6293 156 -1381 1022 C ATOM 1469 O ASN A 381 27.818 66.970 23.502 1.00 35.37 O ANISOU 1469 O ASN A 381 2638 4670 6131 280 -1405 1033 O ATOM 1470 CB ASN A 381 27.808 64.456 22.169 1.00 33.70 C ANISOU 1470 CB ASN A 381 2395 4626 5785 -4 -1575 852 C ATOM 1471 CG ASN A 381 27.578 63.706 20.869 1.00 35.33 C ANISOU 1471 CG ASN A 381 2597 4949 5878 -75 -1778 781 C ATOM 1472 OD1 ASN A 381 28.221 63.966 19.853 1.00 36.36 O ANISOU 1472 OD1 ASN A 381 2909 5084 5821 -65 -1904 822 O ATOM 1473 ND2 ASN A 381 26.634 62.776 20.895 1.00 37.22 N ANISOU 1473 ND2 ASN A 381 2631 5284 6228 -152 -1801 670 N ATOM 0 H AASN A 381 30.241 63.955 22.561 0.69 29.85 H new ATOM 0 H BASN A 381 30.285 64.020 22.650 0.31 29.85 H new ATOM 0 HA ASN A 381 28.976 65.927 21.280 1.00 31.74 H new ATOM 0 HB2 ASN A 381 27.956 63.816 22.883 1.00 33.70 H new ATOM 0 HB3 ASN A 381 27.006 64.953 22.395 1.00 33.70 H new ATOM 0 HD21 ASN A 381 26.452 62.328 20.184 1.00 37.22 H new ATOM 0 HD22 ASN A 381 26.204 62.620 21.623 1.00 37.22 H new ATOM 1480 N ALA A 382 29.965 66.577 24.020 1.00 32.74 N ANISOU 1480 N ALA A 382 2614 4209 5616 115 -1217 1054 N ATOM 1481 CA ALA A 382 29.902 67.300 25.288 1.00 31.34 C ANISOU 1481 CA ALA A 382 2401 3944 5562 191 -1035 1089 C ATOM 1482 C ALA A 382 29.989 68.815 25.119 1.00 33.06 C ANISOU 1482 C ALA A 382 2701 4102 5760 346 -1058 1181 C ATOM 1483 O ALA A 382 29.938 69.554 26.103 1.00 34.86 O ANISOU 1483 O ALA A 382 2917 4249 6080 422 -907 1207 O ATOM 1484 CB ALA A 382 31.012 66.817 26.217 1.00 26.10 C ANISOU 1484 CB ALA A 382 1851 3212 4855 90 -854 1071 C ATOM 0 H ALA A 382 30.748 66.291 23.810 1.00 32.74 H new ATOM 0 HA ALA A 382 29.034 67.110 25.676 1.00 31.34 H new ATOM 0 HB1 ALA A 382 30.965 67.301 27.057 1.00 26.10 H new ATOM 0 HB2 ALA A 382 30.904 65.868 26.385 1.00 26.10 H new ATOM 0 HB3 ALA A 382 31.874 66.975 25.801 1.00 26.10 H new ATOM 1490 N GLY A 383 30.127 69.278 23.881 1.00 34.91 N ANISOU 1490 N GLY A 383 3041 4364 5858 399 -1236 1227 N ATOM 1491 CA GLY A 383 30.193 70.704 23.617 1.00 33.69 C ANISOU 1491 CA GLY A 383 3006 4137 5657 563 -1257 1317 C ATOM 1492 C GLY A 383 31.570 71.309 23.825 1.00 30.00 C ANISOU 1492 C GLY A 383 2773 3559 5068 524 -1137 1357 C ATOM 1493 O GLY A 383 32.566 70.598 23.938 1.00 27.78 O ANISOU 1493 O GLY A 383 2566 3280 4710 371 -1081 1319 O ATOM 0 H GLY A 383 30.184 68.780 23.182 1.00 34.91 H new ATOM 0 HA2 GLY A 383 29.913 70.867 22.703 1.00 33.69 H new ATOM 0 HA3 GLY A 383 29.560 71.160 24.193 1.00 33.69 H new ATOM 1497 N AGLN A 384 31.619 72.634 23.886 0.54 31.83 N ANISOU 1497 N AGLN A 384 3124 3688 5282 669 -1091 1425 N ATOM 1498 N BGLN A 384 31.616 72.637 23.877 0.46 31.02 N ANISOU 1498 N BGLN A 384 3022 3586 5179 670 -1092 1425 N ATOM 1499 CA AGLN A 384 32.882 73.351 24.008 0.54 28.52 C ANISOU 1499 CA AGLN A 384 2944 3149 4742 639 -970 1452 C ATOM 1500 CA BGLN A 384 32.872 73.369 24.009 0.46 28.56 C ANISOU 1500 CA BGLN A 384 2950 3153 4747 642 -970 1453 C ATOM 1501 C AGLN A 384 33.452 73.278 25.418 0.54 29.31 C ANISOU 1501 C AGLN A 384 3009 3194 4933 566 -757 1397 C ATOM 1502 C BGLN A 384 33.448 73.250 25.414 0.46 26.54 C ANISOU 1502 C BGLN A 384 2655 2846 4583 564 -759 1396 C ATOM 1503 O AGLN A 384 34.668 73.224 25.604 0.54 24.59 O ANISOU 1503 O AGLN A 384 2549 2554 4239 460 -669 1369 O ATOM 1504 O BGLN A 384 34.661 73.138 25.593 0.46 24.91 O ANISOU 1504 O BGLN A 384 2580 2603 4280 453 -674 1367 O ATOM 1505 CB AGLN A 384 32.690 74.812 23.598 0.54 32.50 C ANISOU 1505 CB AGLN A 384 3621 3537 5191 822 -976 1536 C ATOM 1506 CB BGLN A 384 32.657 74.846 23.662 0.46 31.84 C ANISOU 1506 CB BGLN A 384 3531 3449 5117 827 -969 1536 C ATOM 1507 CG AGLN A 384 32.937 75.061 22.126 0.54 40.97 C ANISOU 1507 CG AGLN A 384 4897 4611 6058 861 -1125 1604 C ATOM 1508 CG BGLN A 384 33.885 75.735 23.856 0.46 36.64 C ANISOU 1508 CG BGLN A 384 4406 3902 5615 793 -811 1549 C ATOM 1509 CD AGLN A 384 34.406 74.971 21.773 0.54 55.90 C ANISOU 1509 CD AGLN A 384 7019 6445 7776 707 -1039 1593 C ATOM 1510 CD BGLN A 384 35.083 75.306 23.024 0.46 42.79 C ANISOU 1510 CD BGLN A 384 5369 4691 6201 643 -829 1542 C ATOM 1511 OE1AGLN A 384 35.246 75.620 22.398 0.54 59.77 O ANISOU 1511 OE1AGLN A 384 7645 6810 8256 669 -861 1579 O ATOM 1512 OE1BGLN A 384 36.231 75.556 23.403 0.46 33.23 O ANISOU 1512 OE1BGLN A 384 4301 3397 4930 538 -678 1503 O ATOM 1513 NE2AGLN A 384 34.729 74.152 20.779 0.54 40.77 N ANISOU 1513 NE2AGLN A 384 5147 4621 5724 609 -1158 1585 N ATOM 1514 NE2BGLN A 384 34.826 74.670 21.883 0.46 53.72 N ANISOU 1514 NE2BGLN A 384 6750 6178 7484 630 -1007 1566 N ATOM 0 H AGLN A 384 30.925 73.141 23.858 0.54 31.02 H new ATOM 0 H BGLN A 384 30.919 73.139 23.837 0.46 31.02 H new ATOM 0 HA AGLN A 384 33.519 72.923 23.415 0.54 28.56 H new ATOM 0 HA BGLN A 384 33.508 72.977 23.391 0.46 28.56 H new ATOM 0 HB2AGLN A 384 31.786 75.087 23.818 0.54 31.84 H new ATOM 0 HB2BGLN A 384 32.370 74.910 22.738 0.46 31.84 H new ATOM 0 HB3AGLN A 384 33.290 75.368 24.118 0.54 31.84 H new ATOM 0 HB3BGLN A 384 31.934 75.192 24.208 0.46 31.84 H new ATOM 0 HG2AGLN A 384 32.439 74.414 21.602 0.54 36.64 H new ATOM 0 HG2BGLN A 384 33.653 76.649 23.628 0.46 36.64 H new ATOM 0 HG3AGLN A 384 32.601 75.939 21.887 0.54 36.64 H new ATOM 0 HG3BGLN A 384 34.133 75.731 24.794 0.46 36.64 H new ATOM 0 HE21AGLN A 384 34.115 73.715 20.365 0.54 53.72 H new ATOM 0 HE21BGLN A 384 34.013 74.513 21.652 0.46 53.72 H new ATOM 0 HE22AGLN A 384 35.552 74.059 20.549 0.54 53.72 H new ATOM 0 HE22BGLN A 384 35.473 74.416 21.377 0.46 53.72 H new ATOM 1531 N THR A 385 32.569 73.288 26.409 1.00 34.85 N ANISOU 1531 N THR A 385 3532 3897 5812 629 -671 1375 N ATOM 1532 CA THR A 385 32.987 73.267 27.803 1.00 25.28 C ANISOU 1532 CA THR A 385 2301 2631 4675 586 -462 1323 C ATOM 1533 C THR A 385 32.608 71.923 28.397 1.00 24.40 C ANISOU 1533 C THR A 385 2007 2610 4656 486 -433 1265 C ATOM 1534 O THR A 385 31.431 71.603 28.519 1.00 25.89 O ANISOU 1534 O THR A 385 2020 2843 4972 530 -459 1258 O ATOM 1535 CB THR A 385 32.339 74.407 28.594 1.00 30.79 C ANISOU 1535 CB THR A 385 2987 3229 5483 736 -336 1338 C ATOM 1536 OG1 THR A 385 32.518 75.633 27.877 1.00 31.37 O ANISOU 1536 OG1 THR A 385 3246 3205 5468 843 -382 1400 O ATOM 1537 CG2 THR A 385 32.966 74.538 29.952 1.00 29.11 C ANISOU 1537 CG2 THR A 385 2820 2947 5293 693 -117 1277 C ATOM 0 H ATHR A 385 31.717 73.307 26.293 0.54 34.85 H new ATOM 0 H BTHR A 385 31.717 73.327 26.295 0.46 34.85 H new ATOM 0 HA THR A 385 33.947 73.394 27.853 1.00 25.28 H new ATOM 0 HB THR A 385 31.395 74.212 28.704 1.00 30.79 H new ATOM 0 HG1 THR A 385 32.163 76.263 28.305 1.00 31.37 H new ATOM 0 HG21 THR A 385 32.542 75.264 30.436 1.00 29.11 H new ATOM 0 HG22 THR A 385 32.849 73.710 30.444 1.00 29.11 H new ATOM 0 HG23 THR A 385 33.913 74.724 29.855 1.00 29.11 H new ATOM 1545 N VAL A 386 33.621 71.138 28.747 1.00 23.85 N ANISOU 1545 N VAL A 386 1991 2558 4514 357 -376 1220 N ATOM 1546 CA VAL A 386 33.426 69.758 29.164 1.00 21.16 C ANISOU 1546 CA VAL A 386 1538 2284 4218 255 -354 1169 C ATOM 1547 C VAL A 386 33.747 69.611 30.644 1.00 20.08 C ANISOU 1547 C VAL A 386 1406 2095 4126 252 -146 1127 C ATOM 1548 O VAL A 386 34.890 69.824 31.072 1.00 21.99 O ANISOU 1548 O VAL A 386 1770 2304 4281 228 -73 1104 O ATOM 1549 CB VAL A 386 34.288 68.805 28.317 1.00 24.98 C ANISOU 1549 CB VAL A 386 2095 2834 4564 123 -467 1149 C ATOM 1550 CG1 VAL A 386 34.067 67.357 28.739 1.00 25.84 C ANISOU 1550 CG1 VAL A 386 2130 2989 4698 32 -430 1087 C ATOM 1551 CG2 VAL A 386 33.976 68.979 26.839 1.00 21.15 C ANISOU 1551 CG2 VAL A 386 1637 2395 4005 132 -666 1185 C ATOM 0 H VAL A 386 34.442 71.393 28.749 1.00 23.85 H new ATOM 0 HA VAL A 386 32.496 69.519 29.025 1.00 21.16 H new ATOM 0 HB VAL A 386 35.221 69.027 28.465 1.00 24.98 H new ATOM 0 HG11 VAL A 386 34.618 66.773 28.194 1.00 25.84 H new ATOM 0 HG12 VAL A 386 34.309 67.251 29.672 1.00 25.84 H new ATOM 0 HG13 VAL A 386 33.133 67.124 28.619 1.00 25.84 H new ATOM 0 HG21 VAL A 386 34.526 68.373 26.318 1.00 21.15 H new ATOM 0 HG22 VAL A 386 33.040 68.782 26.680 1.00 21.15 H new ATOM 0 HG23 VAL A 386 34.163 69.893 26.574 1.00 21.15 H new ATOM 1561 N THR A 387 32.739 69.228 31.420 1.00 22.97 N ANISOU 1561 N THR A 387 1652 2456 4620 280 -50 1107 N ATOM 1562 CA THR A 387 32.913 69.065 32.861 1.00 20.63 C ANISOU 1562 CA THR A 387 1386 2103 4350 290 159 1068 C ATOM 1563 C THR A 387 33.050 67.599 33.220 1.00 19.71 C ANISOU 1563 C THR A 387 1268 2023 4199 199 189 1019 C ATOM 1564 O THR A 387 32.116 66.809 33.059 1.00 22.81 O ANISOU 1564 O THR A 387 1555 2448 4663 171 163 999 O ATOM 1565 CB THR A 387 31.744 69.695 33.636 1.00 25.87 C ANISOU 1565 CB THR A 387 1959 2709 5159 392 288 1073 C ATOM 1566 OG1 THR A 387 31.743 71.106 33.405 1.00 30.71 O ANISOU 1566 OG1 THR A 387 2620 3271 5779 496 279 1109 O ATOM 1567 CG2 THR A 387 31.879 69.447 35.132 1.00 26.10 C ANISOU 1567 CG2 THR A 387 2051 2677 5191 399 513 1029 C ATOM 0 H THR A 387 31.946 69.057 31.133 1.00 22.97 H new ATOM 0 HA THR A 387 33.728 69.526 33.115 1.00 20.63 H new ATOM 0 HB THR A 387 30.918 69.292 33.327 1.00 25.87 H new ATOM 0 HG1 THR A 387 31.403 71.267 32.654 1.00 30.71 H new ATOM 0 HG21 THR A 387 31.131 69.854 35.596 1.00 26.10 H new ATOM 0 HG22 THR A 387 31.885 68.492 35.303 1.00 26.10 H new ATOM 0 HG23 THR A 387 32.708 69.837 35.451 1.00 26.10 H new ATOM 1575 N ILE A 388 34.232 67.246 33.711 1.00 18.05 N ANISOU 1575 N ILE A 388 1180 1807 3869 164 245 988 N ATOM 1576 CA ILE A 388 34.553 65.869 34.045 1.00 18.03 C ANISOU 1576 CA ILE A 388 1223 1839 3787 103 268 931 C ATOM 1577 C ILE A 388 34.665 65.714 35.553 1.00 16.65 C ANISOU 1577 C ILE A 388 1118 1610 3599 155 472 895 C ATOM 1578 O ILE A 388 35.250 66.551 36.231 1.00 21.54 O ANISOU 1578 O ILE A 388 1811 2186 4187 210 567 891 O ATOM 1579 CB ILE A 388 35.860 65.437 33.353 1.00 16.95 C ANISOU 1579 CB ILE A 388 1186 1764 3490 33 153 905 C ATOM 1580 CG1 ILE A 388 35.638 65.301 31.845 1.00 21.16 C ANISOU 1580 CG1 ILE A 388 1680 2351 4011 -31 -35 933 C ATOM 1581 CG2 ILE A 388 36.392 64.138 33.935 1.00 20.99 C ANISOU 1581 CG2 ILE A 388 1778 2310 3887 -2 207 829 C ATOM 1582 CD1 ILE A 388 36.924 65.280 31.053 1.00 30.04 C ANISOU 1582 CD1 ILE A 388 2910 3518 4987 -92 -136 921 C ATOM 0 H ILE A 388 34.871 67.802 33.860 1.00 18.05 H new ATOM 0 HA ILE A 388 33.840 65.294 33.727 1.00 18.03 H new ATOM 0 HB ILE A 388 36.526 66.124 33.512 1.00 16.95 H new ATOM 0 HG12 ILE A 388 35.144 64.485 31.669 1.00 21.16 H new ATOM 0 HG13 ILE A 388 35.088 66.038 31.537 1.00 21.16 H new ATOM 0 HG21 ILE A 388 37.213 63.892 33.481 1.00 20.99 H new ATOM 0 HG22 ILE A 388 36.569 64.256 34.881 1.00 20.99 H new ATOM 0 HG23 ILE A 388 35.734 63.436 33.815 1.00 20.99 H new ATOM 0 HD11 ILE A 388 36.721 65.193 30.108 1.00 30.04 H new ATOM 0 HD12 ILE A 388 37.411 66.105 31.204 1.00 30.04 H new ATOM 0 HD13 ILE A 388 37.467 64.528 31.338 1.00 30.04 H new ATOM 1594 N ILE A 389 34.099 64.636 36.074 1.00 18.90 N ANISOU 1594 N ILE A 389 1390 1891 3899 135 548 860 N ATOM 1595 CA ILE A 389 34.414 64.214 37.425 1.00 17.05 C ANISOU 1595 CA ILE A 389 1268 1613 3595 173 728 823 C ATOM 1596 C ILE A 389 35.369 63.045 37.281 1.00 15.78 C ANISOU 1596 C ILE A 389 1200 1516 3280 115 673 778 C ATOM 1597 O ILE A 389 35.038 62.047 36.631 1.00 17.80 O ANISOU 1597 O ILE A 389 1410 1809 3545 43 600 761 O ATOM 1598 CB ILE A 389 33.172 63.826 38.226 1.00 18.79 C ANISOU 1598 CB ILE A 389 1439 1769 3933 193 888 820 C ATOM 1599 CG1 ILE A 389 32.165 64.979 38.263 1.00 26.31 C ANISOU 1599 CG1 ILE A 389 2280 2668 5046 248 932 859 C ATOM 1600 CG2 ILE A 389 33.577 63.399 39.635 1.00 19.74 C ANISOU 1600 CG2 ILE A 389 1724 1832 3943 240 1080 789 C ATOM 1601 CD1 ILE A 389 32.694 66.254 38.886 1.00 76.12 C ANISOU 1601 CD1 ILE A 389 8685 8923 11312 327 1018 871 C ATOM 0 H ILE A 389 33.532 64.137 35.662 1.00 18.90 H new ATOM 0 HA ILE A 389 34.812 64.944 37.925 1.00 17.05 H new ATOM 0 HB ILE A 389 32.738 63.076 37.790 1.00 18.79 H new ATOM 0 HG12 ILE A 389 31.876 65.171 37.357 1.00 26.31 H new ATOM 0 HG13 ILE A 389 31.380 64.693 38.756 1.00 26.31 H new ATOM 0 HG21 ILE A 389 32.785 63.154 40.139 1.00 19.74 H new ATOM 0 HG22 ILE A 389 34.175 62.637 39.583 1.00 19.74 H new ATOM 0 HG23 ILE A 389 34.028 64.134 40.079 1.00 19.74 H new ATOM 0 HD11 ILE A 389 32.001 66.933 38.872 1.00 76.12 H new ATOM 0 HD12 ILE A 389 32.958 66.081 39.803 1.00 76.12 H new ATOM 0 HD13 ILE A 389 33.462 66.566 38.382 1.00 76.12 H new ATOM 1613 N ALA A 390 36.552 63.178 37.877 1.00 15.38 N ANISOU 1613 N ALA A 390 1281 1478 3084 142 712 752 N ATOM 1614 CA ALA A 390 37.595 62.174 37.752 1.00 14.36 C ANISOU 1614 CA ALA A 390 1247 1407 2803 96 655 715 C ATOM 1615 C ALA A 390 38.096 61.729 39.110 1.00 13.95 C ANISOU 1615 C ALA A 390 1357 1319 2627 159 813 701 C ATOM 1616 O ALA A 390 38.025 62.476 40.088 1.00 17.07 O ANISOU 1616 O ALA A 390 1821 1662 3002 236 944 704 O ATOM 1617 CB ALA A 390 38.751 62.714 36.933 1.00 15.87 C ANISOU 1617 CB ALA A 390 1455 1661 2912 55 508 700 C ATOM 0 H ALA A 390 36.769 63.853 38.364 1.00 15.38 H new ATOM 0 HA ALA A 390 37.212 61.406 37.301 1.00 14.36 H new ATOM 0 HB1 ALA A 390 39.439 62.035 36.857 1.00 15.87 H new ATOM 0 HB2 ALA A 390 38.436 62.955 36.048 1.00 15.87 H new ATOM 0 HB3 ALA A 390 39.118 63.499 37.369 1.00 15.87 H new ATOM 1623 N GLN A 391 38.625 60.513 39.155 1.00 15.41 N ANISOU 1623 N GLN A 391 1625 1522 2707 138 803 687 N ATOM 1624 CA GLN A 391 39.144 59.951 40.393 1.00 14.30 C ANISOU 1624 CA GLN A 391 1679 1344 2410 221 932 685 C ATOM 1625 C GLN A 391 40.355 59.068 40.106 1.00 13.59 C ANISOU 1625 C GLN A 391 1690 1301 2173 218 841 678 C ATOM 1626 O GLN A 391 40.307 58.179 39.262 1.00 13.17 O ANISOU 1626 O GLN A 391 1578 1265 2159 142 768 671 O ATOM 1627 CB GLN A 391 38.062 59.154 41.116 1.00 16.03 C ANISOU 1627 CB GLN A 391 1930 1479 2682 239 1089 691 C ATOM 1628 CG GLN A 391 38.506 58.629 42.456 1.00 16.56 C ANISOU 1628 CG GLN A 391 2234 1493 2566 346 1224 690 C ATOM 1629 CD GLN A 391 37.339 58.121 43.286 1.00 19.23 C ANISOU 1629 CD GLN A 391 2611 1721 2973 365 1413 696 C ATOM 1630 OE1 GLN A 391 36.342 57.648 42.742 1.00 24.12 O ANISOU 1630 OE1 GLN A 391 3087 2315 3762 279 1429 697 O ATOM 1631 NE2 GLN A 391 37.447 58.242 44.603 1.00 21.46 N ANISOU 1631 NE2 GLN A 391 3098 1935 3121 476 1551 694 N ATOM 0 H GLN A 391 38.693 59.993 38.473 1.00 15.41 H new ATOM 0 HA GLN A 391 39.422 60.680 40.969 1.00 14.30 H new ATOM 0 HB2 GLN A 391 37.282 59.717 41.238 1.00 16.03 H new ATOM 0 HB3 GLN A 391 37.790 58.409 40.558 1.00 16.03 H new ATOM 0 HG2 GLN A 391 39.145 57.911 42.325 1.00 16.56 H new ATOM 0 HG3 GLN A 391 38.965 59.332 42.942 1.00 16.56 H new ATOM 0 HE21 GLN A 391 38.160 58.578 44.947 1.00 21.46 H new ATOM 0 HE22 GLN A 391 36.804 57.985 45.113 1.00 21.46 H new ATOM 1640 N TYR A 392 41.441 59.335 40.818 1.00 14.94 N ANISOU 1640 N TYR A 392 2013 1506 2158 316 812 642 N ATOM 1641 CA TYR A 392 42.714 58.677 40.561 1.00 15.46 C ANISOU 1641 CA TYR A 392 2149 1645 2080 347 672 591 C ATOM 1642 C TYR A 392 42.688 57.259 41.112 1.00 16.48 C ANISOU 1642 C TYR A 392 2435 1707 2118 413 772 642 C ATOM 1643 O TYR A 392 42.564 57.060 42.322 1.00 16.45 O ANISOU 1643 O TYR A 392 2608 1649 1994 526 892 661 O ATOM 1644 CB TYR A 392 43.853 59.487 41.179 1.00 14.94 C ANISOU 1644 CB TYR A 392 2159 1663 1854 435 567 489 C ATOM 1645 CG TYR A 392 45.237 58.978 40.836 1.00 12.71 C ANISOU 1645 CG TYR A 392 1893 1481 1456 469 405 415 C ATOM 1646 CD1 TYR A 392 45.658 58.891 39.518 1.00 13.51 C ANISOU 1646 CD1 TYR A 392 1855 1635 1643 361 296 394 C ATOM 1647 CD2 TYR A 392 46.129 58.623 41.830 1.00 18.63 C ANISOU 1647 CD2 TYR A 392 2794 2276 2007 618 358 362 C ATOM 1648 CE1 TYR A 392 46.927 58.430 39.205 1.00 15.46 C ANISOU 1648 CE1 TYR A 392 2101 1971 1803 396 172 318 C ATOM 1649 CE2 TYR A 392 47.399 58.164 41.521 1.00 17.00 C ANISOU 1649 CE2 TYR A 392 2570 2171 1718 666 204 287 C ATOM 1650 CZ TYR A 392 47.791 58.075 40.213 1.00 18.17 C ANISOU 1650 CZ TYR A 392 2563 2364 1976 552 124 262 C ATOM 1651 OH TYR A 392 49.060 57.618 39.913 1.00 20.64 O ANISOU 1651 OH TYR A 392 2843 2775 2223 604 -5 179 O ATOM 0 H TYR A 392 41.461 59.903 41.464 1.00 14.94 H new ATOM 0 HA TYR A 392 42.862 58.626 39.604 1.00 15.46 H new ATOM 0 HB2 TYR A 392 43.777 60.408 40.886 1.00 14.94 H new ATOM 0 HB3 TYR A 392 43.750 59.487 42.143 1.00 14.94 H new ATOM 0 HD1 TYR A 392 45.081 59.145 38.834 1.00 13.51 H new ATOM 0 HD2 TYR A 392 45.872 58.693 42.721 1.00 18.63 H new ATOM 0 HE1 TYR A 392 47.193 58.361 38.316 1.00 15.46 H new ATOM 0 HE2 TYR A 392 47.984 57.917 42.201 1.00 17.00 H new ATOM 0 HH TYR A 392 49.413 57.297 40.604 1.00 20.64 H new ATOM 1661 N LYS A 393 42.798 56.284 40.212 1.00 13.89 N ANISOU 1661 N LYS A 393 2063 1374 1840 343 730 661 N ATOM 1662 CA LYS A 393 42.725 54.866 40.561 1.00 15.75 C ANISOU 1662 CA LYS A 393 2421 1545 2018 380 802 666 C ATOM 1663 C LYS A 393 43.849 54.106 39.857 1.00 16.73 C ANISOU 1663 C LYS A 393 2583 1709 2066 403 685 653 C ATOM 1664 O LYS A 393 43.607 53.331 38.939 1.00 13.34 O ANISOU 1664 O LYS A 393 2091 1251 1728 298 677 652 O ATOM 1665 CB LYS A 393 41.363 54.282 40.177 1.00 17.77 C ANISOU 1665 CB LYS A 393 2572 1732 2450 251 895 671 C ATOM 1666 CG LYS A 393 40.192 54.894 40.920 1.00 17.14 C ANISOU 1666 CG LYS A 393 2452 1603 2458 252 1026 678 C ATOM 1667 CD LYS A 393 38.865 54.225 40.559 1.00 39.27 C ANISOU 1667 CD LYS A 393 5148 4346 5429 142 1103 673 C ATOM 1668 CE LYS A 393 37.711 54.829 41.360 1.00 67.55 C ANISOU 1668 CE LYS A 393 8690 7868 9108 163 1249 681 C ATOM 1669 NZ LYS A 393 36.357 54.425 40.886 1.00 45.98 N ANISOU 1669 NZ LYS A 393 5806 5098 6567 51 1297 669 N ATOM 0 H LYS A 393 42.918 56.428 39.373 1.00 13.89 H new ATOM 0 HA LYS A 393 42.831 54.774 41.521 1.00 15.75 H new ATOM 0 HB2 LYS A 393 41.227 54.403 39.224 1.00 17.77 H new ATOM 0 HB3 LYS A 393 41.374 53.326 40.342 1.00 17.77 H new ATOM 0 HG2 LYS A 393 40.342 54.817 41.875 1.00 17.14 H new ATOM 0 HG3 LYS A 393 40.141 55.841 40.716 1.00 17.14 H new ATOM 0 HD2 LYS A 393 38.694 54.329 39.610 1.00 39.27 H new ATOM 0 HD3 LYS A 393 38.921 53.273 40.734 1.00 39.27 H new ATOM 0 HE2 LYS A 393 37.807 54.571 42.290 1.00 67.55 H new ATOM 0 HE3 LYS A 393 37.779 55.796 41.326 1.00 67.55 H new ATOM 0 HZ1 LYS A 393 35.744 54.957 41.251 1.00 45.98 H new ATOM 0 HZ2 LYS A 393 36.320 54.494 40.000 1.00 45.98 H new ATOM 0 HZ3 LYS A 393 36.198 53.582 41.124 1.00 45.98 H new ATOM 1683 N PRO A 394 45.097 54.347 40.274 1.00 19.17 N ANISOU 1683 N PRO A 394 2972 2102 2208 543 569 606 N ATOM 1684 CA PRO A 394 46.242 53.793 39.544 1.00 18.44 C ANISOU 1684 CA PRO A 394 2855 2083 2070 568 430 547 C ATOM 1685 C PRO A 394 46.337 52.269 39.578 1.00 14.20 C ANISOU 1685 C PRO A 394 2466 1445 1482 632 506 598 C ATOM 1686 O PRO A 394 46.795 51.677 38.605 1.00 16.37 O ANISOU 1686 O PRO A 394 2690 1731 1797 584 450 572 O ATOM 1687 CB PRO A 394 47.444 54.423 40.257 1.00 20.64 C ANISOU 1687 CB PRO A 394 3162 2485 2194 714 292 456 C ATOM 1688 CG PRO A 394 46.948 54.744 41.614 1.00 18.86 C ANISOU 1688 CG PRO A 394 3091 2212 1865 817 387 494 C ATOM 1689 CD PRO A 394 45.528 55.188 41.401 1.00 19.00 C ANISOU 1689 CD PRO A 394 3035 2137 2048 671 538 562 C ATOM 0 HA PRO A 394 46.179 53.994 38.597 1.00 18.44 H new ATOM 0 HB2 PRO A 394 48.195 53.810 40.292 1.00 20.64 H new ATOM 0 HB3 PRO A 394 47.750 55.220 39.796 1.00 20.64 H new ATOM 0 HG2 PRO A 394 46.992 53.971 42.198 1.00 18.86 H new ATOM 0 HG3 PRO A 394 47.478 55.443 42.028 1.00 18.86 H new ATOM 0 HD2 PRO A 394 44.982 55.043 42.190 1.00 19.00 H new ATOM 0 HD3 PRO A 394 45.473 56.133 41.188 1.00 19.00 H new ATOM 1697 N GLU A 395 45.920 51.645 40.671 1.00 18.81 N ANISOU 1697 N GLU A 395 3194 1955 1997 706 623 609 N ATOM 1698 CA GLU A 395 45.995 50.196 40.766 1.00 21.55 C ANISOU 1698 CA GLU A 395 3664 2215 2307 749 696 617 C ATOM 1699 C GLU A 395 45.079 49.584 39.719 1.00 20.73 C ANISOU 1699 C GLU A 395 3470 2026 2379 557 776 638 C ATOM 1700 O GLU A 395 45.481 48.690 38.976 1.00 18.97 O ANISOU 1700 O GLU A 395 3269 1770 2167 538 759 629 O ATOM 1701 CB GLU A 395 45.615 49.718 42.167 1.00 32.11 C ANISOU 1701 CB GLU A 395 5186 3476 3538 862 827 632 C ATOM 1702 CG GLU A 395 46.613 50.120 43.247 1.00 22.19 C ANISOU 1702 CG GLU A 395 4048 2301 2081 1066 728 593 C ATOM 1703 CD GLU A 395 46.440 51.549 43.740 1.00 32.19 C ANISOU 1703 CD GLU A 395 5263 3636 3330 1066 687 574 C ATOM 1704 OE1 GLU A 395 45.450 52.219 43.361 1.00 25.66 O ANISOU 1704 OE1 GLU A 395 4323 2780 2647 920 766 606 O ATOM 1705 OE2 GLU A 395 47.308 52.006 44.515 1.00 32.57 O ANISOU 1705 OE2 GLU A 395 5382 3769 3224 1216 570 519 O ATOM 0 H GLU A 395 45.593 52.038 41.363 1.00 18.81 H new ATOM 0 HA GLU A 395 46.908 49.912 40.602 1.00 21.55 H new ATOM 0 HB2 GLU A 395 44.743 50.075 42.396 1.00 32.11 H new ATOM 0 HB3 GLU A 395 45.533 48.752 42.158 1.00 32.11 H new ATOM 0 HG2 GLU A 395 46.525 49.514 43.999 1.00 22.19 H new ATOM 0 HG3 GLU A 395 47.513 50.013 42.901 1.00 22.19 H new ATOM 1712 N GLU A 396 43.850 50.082 39.653 1.00 17.72 N ANISOU 1712 N GLU A 396 2979 1619 2136 420 851 652 N ATOM 1713 CA GLU A 396 42.889 49.608 38.664 1.00 15.38 C ANISOU 1713 CA GLU A 396 2561 1273 2009 231 885 645 C ATOM 1714 C GLU A 396 43.394 49.909 37.259 1.00 14.01 C ANISOU 1714 C GLU A 396 2263 1168 1894 130 743 625 C ATOM 1715 O GLU A 396 43.294 49.069 36.370 1.00 14.99 O ANISOU 1715 O GLU A 396 2375 1251 2071 33 737 604 O ATOM 1716 CB GLU A 396 41.518 50.244 38.896 1.00 15.71 C ANISOU 1716 CB GLU A 396 2479 1305 2185 134 956 649 C ATOM 1717 CG GLU A 396 40.864 49.752 40.183 1.00 21.49 C ANISOU 1717 CG GLU A 396 3344 1938 2881 209 1138 665 C ATOM 1718 CD GLU A 396 39.422 50.161 40.310 1.00 47.71 C ANISOU 1718 CD GLU A 396 6535 5231 6363 109 1230 662 C ATOM 1719 OE1 GLU A 396 38.690 50.084 39.301 1.00 39.11 O ANISOU 1719 OE1 GLU A 396 5278 4161 5421 -42 1178 640 O ATOM 1720 OE2 GLU A 396 39.019 50.554 41.425 1.00 41.83 O ANISOU 1720 OE2 GLU A 396 5861 4444 5589 190 1352 677 O ATOM 0 H GLU A 396 43.551 50.698 40.174 1.00 17.72 H new ATOM 0 HA GLU A 396 42.793 48.647 38.759 1.00 15.38 H new ATOM 0 HB2 GLU A 396 41.613 51.209 38.932 1.00 15.71 H new ATOM 0 HB3 GLU A 396 40.939 50.044 38.144 1.00 15.71 H new ATOM 0 HG2 GLU A 396 40.924 48.785 40.220 1.00 21.49 H new ATOM 0 HG3 GLU A 396 41.360 50.096 40.943 1.00 21.49 H new ATOM 1727 N TYR A 397 43.952 51.099 37.064 1.00 15.88 N ANISOU 1727 N TYR A 397 2420 1500 2114 153 639 628 N ATOM 1728 CA TYR A 397 44.459 51.465 35.759 1.00 13.69 C ANISOU 1728 CA TYR A 397 2028 1289 1887 58 518 606 C ATOM 1729 C TYR A 397 45.588 50.544 35.313 1.00 16.35 C ANISOU 1729 C TYR A 397 2452 1631 2131 123 468 559 C ATOM 1730 O TYR A 397 45.654 50.148 34.145 1.00 12.78 O ANISOU 1730 O TYR A 397 1946 1178 1731 5 425 522 O ATOM 1731 CB TYR A 397 44.975 52.912 35.729 1.00 15.43 C ANISOU 1731 CB TYR A 397 2133 1646 2085 79 388 558 C ATOM 1732 CG TYR A 397 45.691 53.152 34.433 1.00 11.98 C ANISOU 1732 CG TYR A 397 1597 1296 1661 -8 253 489 C ATOM 1733 CD1 TYR A 397 44.979 53.417 33.268 1.00 16.55 C ANISOU 1733 CD1 TYR A 397 2059 1876 2351 -177 210 496 C ATOM 1734 CD2 TYR A 397 47.066 53.032 34.347 1.00 14.17 C ANISOU 1734 CD2 TYR A 397 1900 1649 1835 83 175 415 C ATOM 1735 CE1 TYR A 397 45.624 53.594 32.070 1.00 9.51 C ANISOU 1735 CE1 TYR A 397 1117 1050 1444 -255 107 439 C ATOM 1736 CE2 TYR A 397 47.718 53.204 33.155 1.00 9.91 C ANISOU 1736 CE2 TYR A 397 1281 1175 1309 -3 91 350 C ATOM 1737 CZ TYR A 397 46.997 53.476 32.019 1.00 9.38 C ANISOU 1737 CZ TYR A 397 1138 1097 1330 -173 66 366 C ATOM 1738 OH TYR A 397 47.669 53.639 30.837 1.00 13.55 O ANISOU 1738 OH TYR A 397 1624 1681 1844 -255 -2 305 O ATOM 0 H TYR A 397 44.044 51.701 37.672 1.00 15.88 H new ATOM 0 HA TYR A 397 43.709 51.378 35.150 1.00 13.69 H new ATOM 0 HB2 TYR A 397 44.236 53.533 35.823 1.00 15.43 H new ATOM 0 HB3 TYR A 397 45.574 53.069 36.476 1.00 15.43 H new ATOM 0 HD1 TYR A 397 44.051 53.475 33.302 1.00 16.55 H new ATOM 0 HD2 TYR A 397 47.556 52.831 35.111 1.00 14.17 H new ATOM 0 HE1 TYR A 397 45.140 53.791 31.301 1.00 9.51 H new ATOM 0 HE2 TYR A 397 48.645 53.137 33.115 1.00 9.91 H new ATOM 0 HH TYR A 397 48.398 53.224 30.870 1.00 13.55 H new ATOM 1748 N SER A 398 46.487 50.220 36.235 1.00 16.61 N ANISOU 1748 N SER A 398 2621 1671 2020 323 468 557 N ATOM 1749 CA SER A 398 47.711 49.506 35.869 1.00 18.24 C ANISOU 1749 CA SER A 398 2879 1907 2144 425 401 502 C ATOM 1750 C SER A 398 47.404 48.118 35.309 1.00 18.83 C ANISOU 1750 C SER A 398 3064 1835 2255 371 509 528 C ATOM 1751 O SER A 398 48.210 47.551 34.576 1.00 21.59 O ANISOU 1751 O SER A 398 3420 2197 2587 391 466 472 O ATOM 1752 CB SER A 398 48.657 49.396 37.068 1.00 21.70 C ANISOU 1752 CB SER A 398 3440 2385 2419 678 362 499 C ATOM 1753 OG SER A 398 48.197 48.428 37.996 1.00 34.41 O ANISOU 1753 OG SER A 398 5240 3869 3966 763 496 560 O ATOM 0 H SER A 398 46.411 50.401 37.072 1.00 16.61 H new ATOM 0 HA SER A 398 48.149 50.020 35.173 1.00 18.24 H new ATOM 0 HB2 SER A 398 49.546 49.157 36.761 1.00 21.70 H new ATOM 0 HB3 SER A 398 48.730 50.258 37.506 1.00 21.70 H new ATOM 0 HG SER A 398 47.404 48.601 38.211 1.00 34.41 H new ATOM 1759 N AARG A 399 46.236 47.593 35.663 0.52 14.18 N ANISOU 1759 N AARG A 399 2534 1125 1730 288 647 580 N ATOM 1760 N BARG A 399 46.243 47.563 35.637 0.48 14.19 N ANISOU 1760 N BARG A 399 2537 1124 1732 287 648 579 N ATOM 1761 CA AARG A 399 45.764 46.319 35.142 0.52 15.75 C ANISOU 1761 CA AARG A 399 2792 1209 1984 192 738 560 C ATOM 1762 CA BARG A 399 45.876 46.258 35.096 0.48 16.86 C ANISOU 1762 CA BARG A 399 2942 1347 2117 201 735 558 C ATOM 1763 C AARG A 399 45.720 46.327 33.613 0.52 18.11 C ANISOU 1763 C AARG A 399 2991 1516 2375 7 676 515 C ATOM 1764 C BARG A 399 45.695 46.307 33.582 0.48 17.90 C ANISOU 1764 C BARG A 399 2962 1488 2352 0 677 513 C ATOM 1765 O AARG A 399 45.938 45.299 32.975 0.52 16.52 O ANISOU 1765 O AARG A 399 2869 1233 2173 -28 717 479 O ATOM 1766 O BARG A 399 45.770 45.276 32.915 0.48 20.25 O ANISOU 1766 O BARG A 399 3328 1703 2661 -55 719 475 O ATOM 1767 CB AARG A 399 44.369 46.006 35.698 0.52 23.13 C ANISOU 1767 CB AARG A 399 3708 2082 2999 97 850 569 C ATOM 1768 CB BARG A 399 44.591 45.736 35.739 0.48 16.53 C ANISOU 1768 CB BARG A 399 2916 1227 2136 130 862 569 C ATOM 1769 CG AARG A 399 44.174 44.583 36.204 0.52 47.33 C ANISOU 1769 CG AARG A 399 6945 5014 6026 147 998 572 C ATOM 1770 CG BARG A 399 44.702 45.475 37.225 0.48 24.47 C ANISOU 1770 CG BARG A 399 4075 2198 3024 311 955 604 C ATOM 1771 CD AARG A 399 43.137 43.838 35.380 0.52 54.42 C ANISOU 1771 CD AARG A 399 7782 5840 7057 -56 1053 532 C ATOM 1772 CD BARG A 399 43.362 45.048 37.786 0.48 37.14 C ANISOU 1772 CD BARG A 399 5691 3715 4707 224 1106 613 C ATOM 1773 NE AARG A 399 41.858 44.544 35.330 0.52 30.35 N ANISOU 1773 NE AARG A 399 4556 2838 4136 -201 1037 528 N ATOM 1774 NE BARG A 399 43.185 45.510 39.160 0.48 36.54 N ANISOU 1774 NE BARG A 399 5692 3644 4549 349 1174 645 N ATOM 1775 CZ AARG A 399 40.936 44.360 34.390 0.52 37.92 C ANISOU 1775 CZ AARG A 399 5384 3803 5220 -392 998 487 C ATOM 1776 CZ BARG A 399 42.047 45.983 39.660 0.48 19.85 C ANISOU 1776 CZ BARG A 399 3509 1513 2521 277 1260 653 C ATOM 1777 NH1AARG A 399 41.141 43.488 33.410 0.52 30.49 N ANISOU 1777 NH1AARG A 399 4477 2815 4292 -476 980 440 N ATOM 1778 NH1BARG A 399 40.955 46.065 38.910 0.48 20.15 N ANISOU 1778 NH1BARG A 399 3379 1545 2734 86 1267 631 N ATOM 1779 NH2AARG A 399 39.805 45.051 34.428 0.52 26.33 N ANISOU 1779 NH2AARG A 399 3756 2390 3857 -489 973 487 N ATOM 1780 NH2BARG A 399 42.003 46.377 40.925 0.48 31.89 N ANISOU 1780 NH2BARG A 399 5137 3030 3951 405 1332 676 N ATOM 0 H AARG A 399 45.694 47.969 36.215 0.52 14.19 H new ATOM 0 H BARG A 399 45.661 47.917 36.162 0.48 14.19 H new ATOM 0 HA AARG A 399 46.387 45.632 35.425 0.52 16.86 H new ATOM 0 HA BARG A 399 46.606 45.654 35.304 0.48 16.86 H new ATOM 0 HB2AARG A 399 44.181 46.620 36.425 0.52 16.53 H new ATOM 0 HB2BARG A 399 43.881 46.379 35.586 0.48 16.53 H new ATOM 0 HB3AARG A 399 43.714 46.179 35.004 0.52 16.53 H new ATOM 0 HB3BARG A 399 44.330 44.914 35.295 0.48 16.53 H new ATOM 0 HG2AARG A 399 45.019 44.107 36.170 0.52 24.47 H new ATOM 0 HG2BARG A 399 45.363 44.785 37.390 0.48 24.47 H new ATOM 0 HG3AARG A 399 43.897 44.604 37.133 0.52 24.47 H new ATOM 0 HG3BARG A 399 45.009 46.276 37.678 0.48 24.47 H new ATOM 0 HD2AARG A 399 43.471 43.714 34.478 0.52 37.14 H new ATOM 0 HD2BARG A 399 42.650 45.402 37.230 0.48 37.14 H new ATOM 0 HD3AARG A 399 43.002 42.954 35.756 0.52 37.14 H new ATOM 0 HD3BARG A 399 43.291 44.081 37.757 0.48 37.14 H new ATOM 0 HE AARG A 399 41.691 45.116 35.950 0.52 36.54 H new ATOM 0 HE BARG A 399 43.866 45.474 39.684 0.48 36.54 H new ATOM 0 HH11AARG A 399 41.873 43.038 33.381 0.52 20.15 H new ATOM 0 HH11BARG A 399 40.977 45.810 38.089 0.48 20.15 H new ATOM 0 HH12AARG A 399 40.541 43.373 32.804 0.52 20.15 H new ATOM 0 HH12BARG A 399 40.225 46.373 39.245 0.48 20.15 H new ATOM 0 HH21AARG A 399 39.668 45.618 35.060 0.52 31.89 H new ATOM 0 HH21BARG A 399 42.707 46.326 41.416 0.48 31.89 H new ATOM 0 HH22AARG A 399 39.208 44.933 33.820 0.52 31.89 H new ATOM 0 HH22BARG A 399 41.270 46.684 41.255 0.48 31.89 H new ATOM 1807 N PHE A 400 45.444 47.495 33.036 1.00 13.20 N ANISOU 1807 N PHE A 400 2200 994 1821 -110 580 507 N ATOM 1808 CA PHE A 400 45.213 47.611 31.596 1.00 12.76 C ANISOU 1808 CA PHE A 400 2030 982 1838 -302 492 445 C ATOM 1809 C PHE A 400 46.480 47.800 30.790 1.00 12.12 C ANISOU 1809 C PHE A 400 1928 1002 1676 -261 382 367 C ATOM 1810 O PHE A 400 46.545 47.386 29.634 1.00 12.29 O ANISOU 1810 O PHE A 400 1949 1011 1709 -382 356 309 O ATOM 1811 CB PHE A 400 44.278 48.776 31.290 1.00 12.13 C ANISOU 1811 CB PHE A 400 1761 1000 1848 -424 397 451 C ATOM 1812 CG PHE A 400 42.891 48.597 31.824 1.00 14.22 C ANISOU 1812 CG PHE A 400 1981 1243 2181 -472 438 464 C ATOM 1813 CD1 PHE A 400 42.001 47.734 31.202 1.00 19.66 C ANISOU 1813 CD1 PHE A 400 2649 1893 2929 -601 437 433 C ATOM 1814 CD2 PHE A 400 42.472 49.292 32.942 1.00 15.73 C ANISOU 1814 CD2 PHE A 400 2148 1449 2381 -388 487 505 C ATOM 1815 CE1 PHE A 400 40.725 47.569 31.695 1.00 23.25 C ANISOU 1815 CE1 PHE A 400 3052 2324 3458 -649 495 442 C ATOM 1816 CE2 PHE A 400 41.187 49.127 33.436 1.00 15.96 C ANISOU 1816 CE2 PHE A 400 2133 1447 2483 -433 556 510 C ATOM 1817 CZ PHE A 400 40.322 48.271 32.814 1.00 23.80 C ANISOU 1817 CZ PHE A 400 3096 2403 3543 -564 563 479 C ATOM 0 H APHE A 400 45.386 48.238 33.464 0.52 13.20 H new ATOM 0 H BPHE A 400 45.403 48.235 33.472 0.48 13.20 H new ATOM 0 HA PHE A 400 44.815 46.766 31.334 1.00 12.76 H new ATOM 0 HB2 PHE A 400 44.656 49.589 31.661 1.00 12.13 H new ATOM 0 HB3 PHE A 400 44.232 48.898 30.329 1.00 12.13 H new ATOM 0 HD1 PHE A 400 42.268 47.263 30.446 1.00 19.66 H new ATOM 0 HD2 PHE A 400 43.057 49.876 33.367 1.00 15.73 H new ATOM 0 HE1 PHE A 400 40.136 46.985 31.275 1.00 23.25 H new ATOM 0 HE2 PHE A 400 40.914 49.598 34.190 1.00 15.96 H new ATOM 0 HZ PHE A 400 39.460 48.161 33.145 1.00 23.80 H new ATOM 1827 N GLU A 401 47.477 48.444 31.379 1.00 11.75 N ANISOU 1827 N GLU A 401 1857 1056 1549 -102 323 353 N ATOM 1828 CA GLU A 401 48.688 48.752 30.646 1.00 11.32 C ANISOU 1828 CA GLU A 401 1746 1109 1445 -76 236 266 C ATOM 1829 C GLU A 401 49.764 47.710 30.918 1.00 14.25 C ANISOU 1829 C GLU A 401 2231 1442 1742 100 280 232 C ATOM 1830 O GLU A 401 50.153 47.481 32.068 1.00 12.79 O ANISOU 1830 O GLU A 401 2119 1247 1494 295 297 265 O ATOM 1831 CB GLU A 401 49.216 50.148 30.994 1.00 10.47 C ANISOU 1831 CB GLU A 401 1513 1147 1320 -31 139 241 C ATOM 1832 CG GLU A 401 50.433 50.515 30.127 1.00 10.26 C ANISOU 1832 CG GLU A 401 1408 1223 1265 -43 77 140 C ATOM 1833 CD GLU A 401 50.860 51.977 30.196 1.00 20.44 C ANISOU 1833 CD GLU A 401 2567 2638 2562 -66 -1 101 C ATOM 1834 OE1 GLU A 401 50.273 52.785 30.947 1.00 15.62 O ANISOU 1834 OE1 GLU A 401 1927 2040 1969 -57 -21 148 O ATOM 1835 OE2 GLU A 401 51.819 52.312 29.478 1.00 17.16 O ANISOU 1835 OE2 GLU A 401 2085 2297 2137 -97 -25 14 O ATOM 0 H GLU A 401 47.471 48.709 32.197 1.00 11.75 H new ATOM 0 HA GLU A 401 48.465 48.738 29.702 1.00 11.32 H new ATOM 0 HB2 GLU A 401 48.513 50.804 30.864 1.00 10.47 H new ATOM 0 HB3 GLU A 401 49.463 50.179 31.932 1.00 10.47 H new ATOM 0 HG2 GLU A 401 51.182 49.961 30.395 1.00 10.26 H new ATOM 0 HG3 GLU A 401 50.233 50.294 29.204 1.00 10.26 H new ATOM 1842 N ALA A 402 50.245 47.095 29.847 1.00 12.41 N ANISOU 1842 N ALA A 402 2021 1186 1508 42 295 165 N ATOM 1843 CA ALA A 402 51.256 46.055 29.937 1.00 13.49 C ANISOU 1843 CA ALA A 402 2258 1274 1592 211 346 126 C ATOM 1844 C ALA A 402 52.482 46.553 30.686 1.00 13.61 C ANISOU 1844 C ALA A 402 2192 1424 1556 424 266 85 C ATOM 1845 O ALA A 402 52.908 47.703 30.519 1.00 13.55 O ANISOU 1845 O ALA A 402 2024 1563 1562 379 176 32 O ATOM 1846 CB ALA A 402 51.642 45.574 28.545 1.00 13.78 C ANISOU 1846 CB ALA A 402 2307 1289 1640 98 375 39 C ATOM 0 H ALA A 402 49.992 47.271 29.044 1.00 12.41 H new ATOM 0 HA ALA A 402 50.883 45.309 30.433 1.00 13.49 H new ATOM 0 HB1 ALA A 402 52.317 44.881 28.617 1.00 13.78 H new ATOM 0 HB2 ALA A 402 50.859 45.217 28.097 1.00 13.78 H new ATOM 0 HB3 ALA A 402 51.997 46.317 28.032 1.00 13.78 H new ATOM 1852 N ASN A 403 53.028 45.665 31.512 1.00 16.27 N ANISOU 1852 N ASN A 403 2648 1701 1832 656 299 109 N ATOM 1853 CA ASN A 403 54.250 45.893 32.277 1.00 24.29 C ANISOU 1853 CA ASN A 403 3595 2843 2791 897 203 61 C ATOM 1854 C ASN A 403 54.212 47.141 33.149 1.00 29.16 C ANISOU 1854 C ASN A 403 4101 3596 3382 917 93 63 C ATOM 1855 O ASN A 403 55.245 47.750 33.397 1.00 26.14 O ANISOU 1855 O ASN A 403 3575 3370 2988 1017 -17 -28 O ATOM 1856 CB ASN A 403 55.452 45.972 31.335 1.00 25.19 C ANISOU 1856 CB ASN A 403 3562 3062 2947 903 172 -71 C ATOM 1857 CG ASN A 403 55.593 44.734 30.451 1.00 27.95 C ANISOU 1857 CG ASN A 403 4032 3273 3314 896 292 -91 C ATOM 1858 OD1 ASN A 403 55.934 44.844 29.273 1.00 73.78 O ANISOU 1858 OD1 ASN A 403 9762 9107 9164 760 325 -177 O ATOM 1859 ND2 ASN A 403 55.317 43.551 31.016 1.00 25.32 N ANISOU 1859 ND2 ASN A 403 3911 2773 2937 1041 375 -11 N ATOM 0 H ASN A 403 52.686 44.888 31.647 1.00 16.27 H new ATOM 0 HA ASN A 403 54.331 45.136 32.878 1.00 24.29 H new ATOM 0 HB2 ASN A 403 55.366 46.758 30.773 1.00 25.19 H new ATOM 0 HB3 ASN A 403 56.261 46.085 31.858 1.00 25.19 H new ATOM 0 HD21 ASN A 403 55.375 42.829 30.552 1.00 25.32 H new ATOM 0 HD22 ASN A 403 55.082 43.514 31.842 1.00 25.32 H new ATOM 1866 N ASER A 404 53.026 47.524 33.613 0.64 19.98 N ANISOU 1866 N ASER A 404 2998 2372 2221 816 129 154 N ATOM 1867 N BSER A 404 53.028 47.497 33.634 0.36 21.02 N ANISOU 1867 N BSER A 404 3134 2502 2351 821 131 156 N ATOM 1868 CA ASER A 404 52.900 48.687 34.477 0.64 24.94 C ANISOU 1868 CA ASER A 404 3550 3105 2820 835 47 157 C ATOM 1869 CA BSER A 404 52.878 48.673 34.476 0.36 23.45 C ANISOU 1869 CA BSER A 404 3365 2913 2632 833 50 159 C ATOM 1870 C ASER A 404 52.581 48.259 35.902 0.64 20.38 C ANISOU 1870 C ASER A 404 3156 2455 2131 1025 77 249 C ATOM 1871 C BSER A 404 52.534 48.273 35.902 0.36 19.82 C ANISOU 1871 C BSER A 404 3086 2382 2063 1019 81 252 C ATOM 1872 O ASER A 404 52.117 47.141 36.150 0.64 21.65 O ANISOU 1872 O ASER A 404 3511 2456 2261 1088 195 336 O ATOM 1873 O BSER A 404 51.994 47.192 36.150 0.36 21.65 O ANISOU 1873 O BSER A 404 3510 2449 2266 1069 202 342 O ATOM 1874 CB ASER A 404 51.822 49.644 33.964 0.64 17.44 C ANISOU 1874 CB ASER A 404 2517 2152 1957 592 67 185 C ATOM 1875 CB BSER A 404 51.805 49.601 33.910 0.36 20.54 C ANISOU 1875 CB BSER A 404 2912 2540 2353 586 71 185 C ATOM 1876 OG ASER A 404 50.526 49.162 34.265 0.64 18.09 O ANISOU 1876 OG ASER A 404 2723 2089 2062 530 180 294 O ATOM 1877 OG BSER A 404 52.120 49.958 32.577 0.36 18.61 O ANISOU 1877 OG BSER A 404 2543 2351 2179 425 45 111 O ATOM 0 H ASER A 404 52.285 47.124 33.439 0.64 21.02 H new ATOM 0 H BSER A 404 52.297 47.068 33.486 0.36 21.02 H new ATOM 0 HA ASER A 404 53.750 49.155 34.470 0.64 23.45 H new ATOM 0 HA BSER A 404 53.723 49.148 34.488 0.36 23.45 H new ATOM 0 HB2ASER A 404 51.946 50.519 34.364 0.64 20.54 H new ATOM 0 HB2BSER A 404 50.941 49.162 33.938 0.36 20.54 H new ATOM 0 HB3ASER A 404 51.914 49.755 33.005 0.64 20.54 H new ATOM 0 HB3BSER A 404 51.736 50.399 34.458 0.36 20.54 H new ATOM 0 HG ASER A 404 50.279 48.628 33.665 0.64 18.61 H new ATOM 0 HG BSER A 404 52.714 50.552 32.579 0.36 18.61 H new ATOM 1888 N ARG A 405 52.853 49.155 36.840 1.00 16.51 N ANISOU 1888 N ARG A 405 2623 2078 1573 1115 -19 224 N ATOM 1889 CA ARG A 405 52.621 48.888 38.243 1.00 17.46 C ANISOU 1889 CA ARG A 405 2916 2155 1563 1263 7 284 C ATOM 1890 C ARG A 405 52.604 50.222 38.959 1.00 17.16 C ANISOU 1890 C ARG A 405 2796 2234 1491 1248 -80 237 C ATOM 1891 O ARG A 405 52.899 51.258 38.362 1.00 16.38 O ANISOU 1891 O ARG A 405 2509 2249 1466 1152 -169 160 O ATOM 1892 CB ARG A 405 53.702 47.970 38.816 1.00 28.14 C ANISOU 1892 CB ARG A 405 4342 3542 2808 1452 -41 237 C ATOM 1893 CG ARG A 405 55.093 48.537 38.671 1.00 19.26 C ANISOU 1893 CG ARG A 405 3023 2608 1686 1523 -217 94 C ATOM 1894 CD ARG A 405 56.173 47.510 38.947 1.00 24.29 C ANISOU 1894 CD ARG A 405 3708 3268 2253 1702 -262 56 C ATOM 1895 NE ARG A 405 57.479 48.008 38.530 1.00 30.88 N ANISOU 1895 NE ARG A 405 4313 4274 3144 1726 -403 -92 N ATOM 1896 CZ ARG A 405 58.226 48.837 39.249 1.00 26.29 C ANISOU 1896 CZ ARG A 405 3622 3840 2526 1764 -534 -203 C ATOM 1897 NH1 ARG A 405 57.805 49.262 40.427 1.00 23.25 N ANISOU 1897 NH1 ARG A 405 3349 3451 2033 1807 -551 -182 N ATOM 1898 NH2 ARG A 405 59.404 49.235 38.789 1.00 31.40 N ANISOU 1898 NH2 ARG A 405 4049 4628 3253 1753 -633 -346 N ATOM 0 H AARG A 405 53.177 49.935 36.677 0.64 16.51 H new ATOM 0 H BARG A 405 53.209 49.921 36.678 0.36 16.51 H new ATOM 0 HA ARG A 405 51.775 48.428 38.364 1.00 17.46 H new ATOM 0 HB2 ARG A 405 53.519 47.810 39.755 1.00 28.14 H new ATOM 0 HB3 ARG A 405 53.660 47.110 38.369 1.00 28.14 H new ATOM 0 HG2 ARG A 405 55.205 48.885 37.773 1.00 19.26 H new ATOM 0 HG3 ARG A 405 55.199 49.284 39.280 1.00 19.26 H new ATOM 0 HD2 ARG A 405 56.190 47.298 39.893 1.00 24.29 H new ATOM 0 HD3 ARG A 405 55.970 46.687 38.476 1.00 24.29 H new ATOM 0 HE ARG A 405 57.785 47.748 37.769 1.00 30.88 H new ATOM 0 HH11 ARG A 405 57.044 49.002 40.731 1.00 23.25 H new ATOM 0 HH12 ARG A 405 58.292 49.799 40.890 1.00 23.25 H new ATOM 0 HH21 ARG A 405 59.684 48.956 38.025 1.00 31.40 H new ATOM 0 HH22 ARG A 405 59.888 49.772 39.254 1.00 31.40 H new ATOM 1912 N VAL A 406 52.259 50.185 40.238 1.00 19.82 N ANISOU 1912 N VAL A 406 3276 2535 1719 1324 -35 266 N ATOM 1913 CA VAL A 406 52.144 51.388 41.044 1.00 17.61 C ANISOU 1913 CA VAL A 406 2966 2334 1393 1323 -92 225 C ATOM 1914 C VAL A 406 53.264 51.342 42.081 1.00 19.41 C ANISOU 1914 C VAL A 406 3227 2662 1487 1501 -213 124 C ATOM 1915 O VAL A 406 53.465 50.313 42.729 1.00 21.02 O ANISOU 1915 O VAL A 406 3590 2807 1590 1640 -175 153 O ATOM 1916 CB VAL A 406 50.763 51.482 41.715 1.00 23.15 C ANISOU 1916 CB VAL A 406 3809 2902 2086 1269 74 331 C ATOM 1917 CG1 VAL A 406 50.597 52.821 42.423 1.00 28.92 C ANISOU 1917 CG1 VAL A 406 4512 3703 2773 1266 26 292 C ATOM 1918 CG2 VAL A 406 49.654 51.265 40.694 1.00 20.79 C ANISOU 1918 CG2 VAL A 406 3471 2487 1942 1088 206 427 C ATOM 0 H VAL A 406 52.085 49.458 40.664 1.00 19.82 H new ATOM 0 HA VAL A 406 52.228 52.179 40.488 1.00 17.61 H new ATOM 0 HB VAL A 406 50.700 50.781 42.382 1.00 23.15 H new ATOM 0 HG11 VAL A 406 49.722 52.861 42.839 1.00 28.92 H new ATOM 0 HG12 VAL A 406 51.282 52.915 43.103 1.00 28.92 H new ATOM 0 HG13 VAL A 406 50.681 53.541 41.778 1.00 28.92 H new ATOM 0 HG21 VAL A 406 48.792 51.328 41.134 1.00 20.79 H new ATOM 0 HG22 VAL A 406 49.713 51.943 40.002 1.00 20.79 H new ATOM 0 HG23 VAL A 406 49.749 50.386 40.294 1.00 20.79 H new ATOM 1928 N ASP A 407 54.004 52.436 42.243 1.00 26.78 N ANISOU 1928 N ASP A 407 4010 3742 2423 1494 -357 -1 N ATOM 1929 CA ASP A 407 55.090 52.425 43.223 1.00 27.20 C ANISOU 1929 CA ASP A 407 4075 3890 2369 1654 -483 -109 C ATOM 1930 C ASP A 407 54.592 52.879 44.592 1.00 34.11 C ANISOU 1930 C ASP A 407 5112 4728 3120 1733 -464 -91 C ATOM 1931 O ASP A 407 53.412 53.210 44.766 1.00 21.91 O ANISOU 1931 O ASP A 407 3663 3084 1576 1658 -339 3 O ATOM 1932 CB ASP A 407 56.280 53.283 42.750 1.00 30.01 C ANISOU 1932 CB ASP A 407 4176 4415 2810 1596 -635 -277 C ATOM 1933 CG ASP A 407 55.978 54.772 42.697 1.00 33.56 C ANISOU 1933 CG ASP A 407 4512 4919 3321 1445 -661 -337 C ATOM 1934 OD1 ASP A 407 54.997 55.235 43.319 1.00 32.30 O ANISOU 1934 OD1 ASP A 407 4478 4691 3102 1434 -599 -267 O ATOM 1935 OD2 ASP A 407 56.757 55.489 42.030 1.00 29.60 O ANISOU 1935 OD2 ASP A 407 3797 4521 2930 1333 -729 -461 O ATOM 0 H ASP A 407 53.901 53.173 41.812 1.00 26.78 H new ATOM 0 HA ASP A 407 55.405 51.511 43.307 1.00 27.20 H new ATOM 0 HB2 ASP A 407 57.032 53.135 43.345 1.00 30.01 H new ATOM 0 HB3 ASP A 407 56.553 52.985 41.868 1.00 30.01 H new ATOM 1940 N ASER A 408 55.497 52.885 45.564 0.75 31.40 N ANISOU 1940 N ASER A 408 4798 4462 2670 1887 -586 -180 N ATOM 1941 N BSER A 408 55.501 52.887 45.561 0.25 32.41 N ANISOU 1941 N BSER A 408 4926 4591 2799 1887 -587 -181 N ATOM 1942 CA ASER A 408 55.143 53.207 46.944 0.75 44.66 C ANISOU 1942 CA ASER A 408 6657 6102 4209 1990 -581 -167 C ATOM 1943 CA BSER A 408 55.163 53.214 46.942 0.25 42.33 C ANISOU 1943 CA BSER A 408 6359 5810 3915 1991 -584 -170 C ATOM 1944 C ASER A 408 54.592 54.624 47.078 0.75 57.28 C ANISOU 1944 C ASER A 408 8195 7726 5842 1858 -583 -198 C ATOM 1945 C BSER A 408 54.572 54.615 47.062 0.25 52.30 C ANISOU 1945 C BSER A 408 7565 7094 5213 1856 -580 -196 C ATOM 1946 O ASER A 408 53.900 54.938 48.046 0.75 53.72 O ANISOU 1946 O ASER A 408 7916 7202 5292 1899 -519 -151 O ATOM 1947 O BSER A 408 53.831 54.907 48.000 0.25 51.49 O ANISOU 1947 O BSER A 408 7637 6912 5015 1893 -507 -142 O ATOM 1948 CB ASER A 408 56.361 53.034 47.852 0.75 39.62 C ANISOU 1948 CB ASER A 408 6030 5567 3458 2177 -751 -275 C ATOM 1949 CB BSER A 408 56.404 53.096 47.829 0.25 40.94 C ANISOU 1949 CB BSER A 408 6182 5743 3631 2171 -759 -283 C ATOM 1950 OG ASER A 408 57.444 53.822 47.395 0.75 44.69 O ANISOU 1950 OG ASER A 408 6408 6376 4196 2108 -911 -432 O ATOM 1951 OG BSER A 408 57.118 51.905 47.547 0.25 45.20 O ANISOU 1951 OG BSER A 408 6734 6291 4151 2291 -786 -279 O ATOM 0 H ASER A 408 56.329 52.704 45.445 0.75 32.41 H new ATOM 0 H BSER A 408 56.332 52.703 45.437 0.25 32.41 H new ATOM 0 HA ASER A 408 54.443 52.593 47.216 0.75 42.33 H new ATOM 0 HA BSER A 408 54.491 52.581 47.238 0.25 42.33 H new ATOM 0 HB2ASER A 408 56.132 53.287 48.760 0.75 40.94 H new ATOM 0 HB2BSER A 408 56.980 53.864 47.689 0.25 40.94 H new ATOM 0 HB3ASER A 408 56.622 52.100 47.876 0.75 40.94 H new ATOM 0 HB3BSER A 408 56.141 53.106 48.763 0.25 40.94 H new ATOM 0 HG ASER A 408 58.103 53.716 47.905 0.75 45.20 H new ATOM 0 HG BSER A 408 57.795 51.860 48.042 0.25 45.20 H new ATOM 1962 N SER A 409 54.904 55.476 46.106 1.00 43.90 N ANISOU 1962 N SER A 409 6269 6129 4284 1698 -644 -280 N ATOM 1963 CA SER A 409 54.430 56.852 46.114 1.00 32.79 C ANISOU 1963 CA SER A 409 4800 4748 2910 1560 -643 -322 C ATOM 1964 C SER A 409 53.060 56.987 45.457 1.00 37.95 C ANISOU 1964 C SER A 409 5505 5292 3621 1440 -478 -189 C ATOM 1965 O SER A 409 52.474 58.066 45.455 1.00 37.64 O ANISOU 1965 O SER A 409 5454 5253 3594 1338 -444 -204 O ATOM 1966 CB SER A 409 55.431 57.757 45.398 1.00 46.82 C ANISOU 1966 CB SER A 409 6310 6667 4812 1430 -767 -485 C ATOM 1967 OG SER A 409 56.704 57.689 46.016 1.00 73.40 O ANISOU 1967 OG SER A 409 9610 10140 8140 1532 -911 -612 O ATOM 0 H ASER A 409 55.393 55.273 45.428 0.75 43.90 H new ATOM 0 H BSER A 409 55.408 55.279 45.438 0.25 43.90 H new ATOM 0 HA SER A 409 54.345 57.123 47.041 1.00 32.79 H new ATOM 0 HB2 SER A 409 55.504 57.493 44.468 1.00 46.82 H new ATOM 0 HB3 SER A 409 55.110 58.672 45.408 1.00 46.82 H new ATOM 0 HG SER A 409 56.995 58.466 46.145 1.00 73.40 H new ATOM 1973 N GLY A 410 52.553 55.895 44.896 1.00 34.26 N ANISOU 1973 N GLY A 410 5098 4727 3193 1447 -367 -64 N ATOM 1974 CA GLY A 410 51.283 55.928 44.193 1.00 26.05 C ANISOU 1974 CA GLY A 410 4082 3581 2237 1324 -207 69 C ATOM 1975 C GLY A 410 51.395 56.314 42.728 1.00 21.18 C ANISOU 1975 C GLY A 410 3246 3019 1785 1158 -247 46 C ATOM 1976 O GLY A 410 50.383 56.501 42.057 1.00 26.05 O ANISOU 1976 O GLY A 410 3813 3536 2547 997 -115 126 O ATOM 0 H GLY A 410 52.932 55.123 44.913 1.00 34.26 H new ATOM 0 HA2 GLY A 410 50.866 55.054 44.256 1.00 26.05 H new ATOM 0 HA3 GLY A 410 50.694 56.556 44.639 1.00 26.05 H new ATOM 1980 N ARG A 411 52.619 56.430 42.220 1.00 20.50 N ANISOU 1980 N ARG A 411 2993 3068 1727 1160 -403 -85 N ATOM 1981 CA ARG A 411 52.824 56.772 40.818 1.00 18.46 C ANISOU 1981 CA ARG A 411 2524 2839 1650 971 -407 -128 C ATOM 1982 C ARG A 411 52.791 55.525 39.940 1.00 15.45 C ANISOU 1982 C ARG A 411 2150 2395 1324 974 -354 -49 C ATOM 1983 O ARG A 411 53.183 54.452 40.370 1.00 18.62 O ANISOU 1983 O ARG A 411 2661 2781 1631 1143 -371 -21 O ATOM 1984 CB ARG A 411 54.153 57.501 40.622 1.00 27.38 C ANISOU 1984 CB ARG A 411 3466 4133 2806 945 -560 -316 C ATOM 1985 CG ARG A 411 54.060 59.013 40.725 1.00 30.90 C ANISOU 1985 CG ARG A 411 3831 4610 3301 803 -569 -408 C ATOM 1986 CD ARG A 411 53.751 59.471 42.127 1.00 46.32 C ANISOU 1986 CD ARG A 411 5937 6559 5105 910 -587 -423 C ATOM 1987 NE ARG A 411 53.798 60.929 42.236 1.00 44.22 N ANISOU 1987 NE ARG A 411 5597 6315 4890 773 -594 -537 N ATOM 1988 CZ ARG A 411 53.567 61.602 43.358 1.00 46.96 C ANISOU 1988 CZ ARG A 411 6063 6656 5122 824 -602 -585 C ATOM 1989 NH1 ARG A 411 53.274 60.951 44.475 1.00 38.48 N ANISOU 1989 NH1 ARG A 411 5191 5552 3877 1006 -596 -517 N ATOM 1990 NH2 ARG A 411 53.629 62.926 43.363 1.00 53.16 N ANISOU 1990 NH2 ARG A 411 6786 7443 5971 686 -593 -696 N ATOM 0 H ARG A 411 53.342 56.315 42.671 1.00 20.50 H new ATOM 0 HA ARG A 411 52.100 57.361 40.554 1.00 18.46 H new ATOM 0 HB2 ARG A 411 54.786 57.181 41.284 1.00 27.38 H new ATOM 0 HB3 ARG A 411 54.512 57.268 39.751 1.00 27.38 H new ATOM 0 HG2 ARG A 411 54.897 59.407 40.435 1.00 30.90 H new ATOM 0 HG3 ARG A 411 53.371 59.335 40.122 1.00 30.90 H new ATOM 0 HD2 ARG A 411 52.872 59.154 42.386 1.00 46.32 H new ATOM 0 HD3 ARG A 411 54.387 59.078 42.745 1.00 46.32 H new ATOM 0 HE ARG A 411 53.987 61.379 41.528 1.00 44.22 H new ATOM 0 HH11 ARG A 411 53.233 60.092 44.474 1.00 38.48 H new ATOM 0 HH12 ARG A 411 53.125 61.388 45.201 1.00 38.48 H new ATOM 0 HH21 ARG A 411 53.819 63.350 42.639 1.00 53.16 H new ATOM 0 HH22 ARG A 411 53.479 63.361 44.090 1.00 53.16 H new ATOM 2004 N ILE A 412 52.315 55.686 38.714 1.00 18.47 N ANISOU 2004 N ILE A 412 2430 2729 1858 781 -284 -18 N ATOM 2005 CA ILE A 412 52.307 54.595 37.745 1.00 18.11 C ANISOU 2005 CA ILE A 412 2386 2627 1870 751 -236 31 C ATOM 2006 C ILE A 412 53.640 54.522 37.025 1.00 21.44 C ANISOU 2006 C ILE A 412 2659 3165 2321 758 -331 -96 C ATOM 2007 O ILE A 412 54.086 55.501 36.417 1.00 20.70 O ANISOU 2007 O ILE A 412 2410 3150 2304 625 -369 -191 O ATOM 2008 CB ILE A 412 51.165 54.758 36.732 1.00 16.25 C ANISOU 2008 CB ILE A 412 2116 2292 1764 545 -134 114 C ATOM 2009 CG1 ILE A 412 49.821 54.712 37.447 1.00 14.69 C ANISOU 2009 CG1 ILE A 412 2036 1979 1567 543 -21 232 C ATOM 2010 CG2 ILE A 412 51.232 53.665 35.671 1.00 20.50 C ANISOU 2010 CG2 ILE A 412 2662 2779 2350 496 -96 137 C ATOM 2011 CD1 ILE A 412 48.719 55.377 36.678 1.00 15.84 C ANISOU 2011 CD1 ILE A 412 2094 2073 1850 355 34 284 C ATOM 0 H ILE A 412 51.989 56.425 38.419 1.00 18.47 H new ATOM 0 HA ILE A 412 52.163 53.767 38.229 1.00 18.11 H new ATOM 0 HB ILE A 412 51.260 55.619 36.295 1.00 16.25 H new ATOM 0 HG12 ILE A 412 49.580 53.787 37.611 1.00 14.69 H new ATOM 0 HG13 ILE A 412 49.907 55.140 38.313 1.00 14.69 H new ATOM 0 HG21 ILE A 412 50.505 53.782 35.040 1.00 20.50 H new ATOM 0 HG22 ILE A 412 52.079 53.721 35.202 1.00 20.50 H new ATOM 0 HG23 ILE A 412 51.154 52.796 36.096 1.00 20.50 H new ATOM 0 HD11 ILE A 412 47.891 55.316 37.180 1.00 15.84 H new ATOM 0 HD12 ILE A 412 48.942 56.310 36.534 1.00 15.84 H new ATOM 0 HD13 ILE A 412 48.610 54.935 35.821 1.00 15.84 H new ATOM 2023 N AVAL A 413 54.234 53.333 37.070 0.59 14.89 N ANISOU 2023 N AVAL A 413 1888 2329 1440 912 -346 -92 N ATOM 2024 N BVAL A 413 54.291 53.364 37.090 0.41 18.12 N ANISOU 2024 N BVAL A 413 2291 2746 1848 916 -353 -99 N ATOM 2025 CA AVAL A 413 55.537 53.060 36.485 0.59 20.71 C ANISOU 2025 CA AVAL A 413 2486 3172 2210 961 -421 -214 C ATOM 2026 CA BVAL A 413 55.564 53.180 36.403 0.41 14.94 C ANISOU 2026 CA BVAL A 413 1735 2450 1491 940 -422 -224 C ATOM 2027 C AVAL A 413 55.358 51.988 35.416 0.59 18.83 C ANISOU 2027 C AVAL A 413 2294 2831 2028 911 -320 -160 C ATOM 2028 C BVAL A 413 55.496 51.961 35.492 0.41 23.53 C ANISOU 2028 C BVAL A 413 2884 3440 2617 935 -332 -170 C ATOM 2029 O AVAL A 413 54.557 51.070 35.586 0.59 22.22 O ANISOU 2029 O AVAL A 413 2899 3120 2423 950 -230 -40 O ATOM 2030 O BVAL A 413 54.927 50.924 35.841 0.41 17.51 O ANISOU 2030 O BVAL A 413 2304 2551 1797 1032 -262 -60 O ATOM 2031 CB AVAL A 413 56.549 52.604 37.572 0.59 19.02 C ANISOU 2031 CB AVAL A 413 2309 3026 1890 1174 -514 -278 C ATOM 2032 CB BVAL A 413 56.740 53.052 37.396 0.41 27.13 C ANISOU 2032 CB BVAL A 413 3261 4096 2951 1118 -533 -325 C ATOM 2033 CG1AVAL A 413 57.901 52.223 36.958 0.59 18.44 C ANISOU 2033 CG1AVAL A 413 2089 3042 1876 1206 -560 -401 C ATOM 2034 CG1BVAL A 413 56.890 54.328 38.211 0.41 24.25 C ANISOU 2034 CG1BVAL A 413 2843 3805 2567 1064 -595 -407 C ATOM 2035 CG2AVAL A 413 56.692 53.681 38.652 0.59 35.96 C ANISOU 2035 CG2AVAL A 413 4440 5241 3981 1169 -582 -347 C ATOM 2036 CG2BVAL A 413 56.556 51.847 38.300 0.41 17.95 C ANISOU 2036 CG2BVAL A 413 2317 2842 1662 1312 -506 -228 C ATOM 0 H AVAL A 413 53.880 52.648 37.451 0.59 18.12 H new ATOM 0 H BVAL A 413 54.014 52.676 37.525 0.41 18.12 H new ATOM 0 HA AVAL A 413 55.898 53.867 36.085 0.59 14.94 H new ATOM 0 HA BVAL A 413 55.727 53.970 35.864 0.41 14.94 H new ATOM 0 HB AVAL A 413 56.202 51.803 37.995 0.59 27.13 H new ATOM 0 HB BVAL A 413 57.556 52.919 36.888 0.41 27.13 H new ATOM 0 HG11AVAL A 413 58.509 51.944 37.661 0.59 24.25 H new ATOM 0 HG11BVAL A 413 57.631 54.232 38.829 0.41 24.25 H new ATOM 0 HG12AVAL A 413 57.777 51.495 36.330 0.59 24.25 H new ATOM 0 HG12BVAL A 413 57.060 55.074 37.615 0.41 24.25 H new ATOM 0 HG13AVAL A 413 58.274 52.989 36.495 0.59 24.25 H new ATOM 0 HG13BVAL A 413 56.074 54.492 38.709 0.41 24.25 H new ATOM 0 HG21AVAL A 413 57.326 53.384 39.324 0.59 17.95 H new ATOM 0 HG21BVAL A 413 57.304 51.786 38.914 0.41 17.95 H new ATOM 0 HG22AVAL A 413 57.011 54.504 38.249 0.59 17.95 H new ATOM 0 HG22BVAL A 413 55.732 51.942 38.803 0.41 17.95 H new ATOM 0 HG23AVAL A 413 55.830 53.838 39.069 0.59 17.95 H new ATOM 0 HG23BVAL A 413 56.514 51.041 37.761 0.41 17.95 H new ATOM 2055 N THR A 414 56.093 52.106 34.317 1.00 28.22 N ANISOU 2055 N THR A 414 3338 4081 3304 814 -317 -256 N ATOM 2056 CA THR A 414 56.095 51.061 33.305 1.00 27.79 C ANISOU 2056 CA THR A 414 3335 3937 3286 781 -226 -232 C ATOM 2057 C THR A 414 57.525 50.584 33.149 1.00 31.88 C ANISOU 2057 C THR A 414 3740 4552 3818 932 -272 -355 C ATOM 2058 O THR A 414 58.449 51.395 33.098 1.00 41.64 O ANISOU 2058 O THR A 414 4783 5936 5103 914 -343 -487 O ATOM 2059 CB THR A 414 55.526 51.560 31.962 1.00 44.71 C ANISOU 2059 CB THR A 414 5438 6039 5510 515 -152 -226 C ATOM 2060 OG1 THR A 414 54.189 52.034 32.165 1.00 42.55 O ANISOU 2060 OG1 THR A 414 5238 5689 5239 401 -128 -117 O ATOM 2061 CG2 THR A 414 55.495 50.444 30.933 1.00 37.76 C ANISOU 2061 CG2 THR A 414 4638 5062 4647 476 -60 -214 C ATOM 0 H ATHR A 414 56.595 52.781 34.139 0.59 28.22 H new ATOM 0 H BTHR A 414 56.512 52.820 34.083 0.41 28.22 H new ATOM 0 HA THR A 414 55.520 50.331 33.584 1.00 27.79 H new ATOM 0 HB THR A 414 56.097 52.272 31.634 1.00 44.71 H new ATOM 0 HG1 THR A 414 53.875 52.308 31.436 1.00 42.55 H new ATOM 0 HG21 THR A 414 55.134 50.783 30.099 1.00 37.76 H new ATOM 0 HG22 THR A 414 56.395 50.115 30.785 1.00 37.76 H new ATOM 0 HG23 THR A 414 54.936 49.720 31.257 1.00 37.76 H new ATOM 2069 N ASP A 415 57.710 49.267 33.113 1.00 37.75 N ANISOU 2069 N ASP A 415 4602 5209 4532 1085 -225 -316 N ATOM 2070 CA ASP A 415 59.044 48.689 32.997 1.00 36.34 C ANISOU 2070 CA ASP A 415 4317 5112 4377 1267 -262 -425 C ATOM 2071 C ASP A 415 59.370 48.393 31.532 1.00 50.43 C ANISOU 2071 C ASP A 415 6044 6864 6254 1121 -143 -490 C ATOM 2072 O ASP A 415 60.536 48.393 31.137 1.00 66.38 O ANISOU 2072 O ASP A 415 7891 8989 8342 1181 -152 -622 O ATOM 2073 CB ASP A 415 59.162 47.404 33.830 1.00 24.29 C ANISOU 2073 CB ASP A 415 2983 3492 2756 1510 -268 -339 C ATOM 2074 CG ASP A 415 59.040 47.653 35.321 1.00 31.41 C ANISOU 2074 CG ASP A 415 3976 4427 3532 1597 -368 -284 C ATOM 2075 OD1 ASP A 415 59.899 48.358 35.891 1.00 34.31 O ANISOU 2075 OD1 ASP A 415 4204 4945 3887 1617 -490 -388 O ATOM 2076 OD2 ASP A 415 58.088 47.122 35.928 1.00 25.05 O ANISOU 2076 OD2 ASP A 415 3394 3486 2639 1636 -304 -150 O ATOM 2077 OXT ASP A 415 58.479 48.150 30.712 1.00 32.11 O ANISOU 2077 OXT ASP A 415 3847 4415 3940 940 -34 -420 O ATOM 0 H ASP A 415 57.074 48.690 33.155 1.00 37.75 H new ATOM 0 HA ASP A 415 59.681 49.335 33.339 1.00 36.34 H new ATOM 0 HB2 ASP A 415 58.472 46.780 33.554 1.00 24.29 H new ATOM 0 HB3 ASP A 415 60.016 46.982 33.646 1.00 24.29 H new TER 2082 ASP A 415 HETATM 2083 C1 GOL A 501 38.385 61.049 23.982 1.00 55.26 C HETATM 2084 O1 GOL A 501 37.430 60.108 23.528 1.00 36.85 O HETATM 2085 C2 GOL A 501 39.020 61.771 22.796 1.00 68.93 C HETATM 2086 O2 GOL A 501 40.163 61.059 22.375 1.00 94.66 O HETATM 2087 C3 GOL A 501 39.415 63.200 23.170 1.00 56.62 C HETATM 2088 O3 GOL A 501 38.715 64.144 22.377 1.00 37.66 O HETATM 0 HO3 GOL A 501 38.717 63.893 21.575 1.00 37.66 H new HETATM 0 HO2 GOL A 501 40.736 61.060 22.989 1.00 94.66 H new HETATM 0 HO1 GOL A 501 37.823 59.413 23.267 1.00 36.85 H new HETATM 0 H32 GOL A 501 39.225 63.357 24.108 1.00 56.62 H new HETATM 0 H31 GOL A 501 40.370 63.317 23.050 1.00 56.62 H new HETATM 0 H2 GOL A 501 38.371 61.814 22.077 1.00 68.93 H new HETATM 0 H12 GOL A 501 37.960 61.692 24.571 1.00 55.26 H new HETATM 0 H11 GOL A 501 39.071 60.599 24.500 1.00 55.26 H new HETATM 2097 O HOH A 601 54.242 57.255 30.612 1.00 45.82 O HETATM 2098 O HOH A 602 62.264 48.950 32.531 1.00 35.55 O HETATM 2099 O HOH A 603 57.908 47.168 28.634 1.00 36.09 O HETATM 2100 O HOH A 604 32.912 51.597 37.091 1.00 32.21 O HETATM 2101 O HOH A 605 36.005 64.380 21.980 1.00 17.76 O HETATM 2102 O HOH A 606 27.912 64.373 25.794 1.00 36.77 O HETATM 2103 O HOH A 607 49.977 58.667 45.928 1.00 31.84 O HETATM 2104 O HOH A 608 49.263 50.809 45.535 1.00 33.71 O HETATM 2105 O HOH A 609 30.191 68.448 21.089 1.00 28.15 O HETATM 2106 O HOH A 610 46.224 74.853 34.015 1.00 23.45 O HETATM 2107 O HOH A 611 52.312 50.882 27.397 1.00 15.18 O HETATM 2108 O HOH A 612 58.330 64.967 42.579 1.00 38.53 O HETATM 2109 O HOH A 613 30.236 61.614 38.511 1.00 29.23 O HETATM 2110 O HOH A 614 40.104 69.917 39.729 1.00 32.24 O HETATM 2111 O HOH A 615 49.059 55.784 26.746 0.50 30.69 O HETATM 2112 O HOH A 616 47.041 43.085 33.757 1.00 32.13 O HETATM 2113 O HOH A 617 41.509 61.580 42.751 1.00 15.04 O HETATM 2114 O HOH A 618 46.206 57.525 20.567 1.00 33.05 O HETATM 2115 O HOH A 619 29.436 72.235 26.957 1.00 34.71 O HETATM 2116 O HOH A 620 30.232 71.616 31.328 1.00 32.97 O HETATM 2117 O HOH A 621 41.066 47.306 36.597 1.00 23.41 O HETATM 2118 O HOH A 622 41.427 74.594 24.559 1.00 34.39 O HETATM 2119 O HOH A 623 49.140 74.218 23.581 1.00 32.16 O HETATM 2120 O HOH A 624 40.729 56.759 44.240 1.00 16.28 O HETATM 2121 O HOH A 625 30.928 48.621 30.522 1.00 32.76 O HETATM 2122 O HOH A 626 53.020 69.329 28.737 1.00 29.77 O HETATM 2123 O HOH A 627 55.411 48.525 42.243 1.00 19.44 O HETATM 2124 O HOH A 628 28.914 49.947 23.494 1.00 35.07 O HETATM 2125 O HOH A 629 53.854 48.578 28.159 1.00 24.98 O HETATM 2126 O HOH A 630 39.576 44.040 30.775 1.00 36.84 O HETATM 2127 O HOH A 631 34.252 55.135 34.156 1.00 18.94 O HETATM 2128 O HOH A 632 49.752 59.524 36.331 1.00 22.67 O HETATM 2129 O HOH A 633 32.688 50.875 32.245 1.00 29.19 O HETATM 2130 O HOH A 634 45.873 67.358 26.452 1.00 11.94 O HETATM 2131 O HOH A 635 48.880 67.899 32.686 1.00 18.56 O HETATM 2132 O HOH A 636 35.455 61.688 21.961 1.00 22.88 O HETATM 2133 O HOH A 637 46.152 67.766 33.059 1.00 14.62 O HETATM 2134 O HOH A 638 28.883 50.694 39.251 1.00 37.92 O HETATM 2135 O HOH A 639 45.205 62.123 22.630 1.00 26.20 O HETATM 2136 O HOH A 640 41.383 73.011 28.881 1.00 20.71 O HETATM 2137 O HOH A 641 41.133 50.578 43.245 1.00 51.67 O HETATM 2138 O HOH A 642 50.236 45.663 34.215 1.00 24.41 O HETATM 2139 O HOH A 643 51.224 58.208 38.197 1.00 20.41 O HETATM 2140 O HOH A 644 38.283 57.608 22.603 1.00 25.99 O HETATM 2141 O HOH A 645 42.213 54.983 45.769 1.00 23.15 O HETATM 2142 O HOH A 646 38.871 48.346 37.079 1.00 28.58 O HETATM 2143 O HOH A 647 38.954 50.127 25.609 1.00 27.24 O HETATM 2144 O HOH A 648 30.470 65.553 35.016 1.00 28.89 O HETATM 2145 O HOH A 649 43.604 61.206 49.024 1.00 26.42 O HETATM 2146 O HOH A 650 39.161 53.150 24.035 1.00 40.03 O HETATM 2147 O HOH A 651 41.974 67.628 39.600 1.00 25.68 O HETATM 2148 O HOH A 652 54.132 55.866 33.341 1.00 38.14 O HETATM 2149 O HOH A 653 48.966 64.906 33.342 1.00 26.01 O HETATM 2150 O HOH A 654 44.341 63.567 42.099 1.00 24.27 O HETATM 2151 O HOH A 655 48.988 69.806 21.504 1.00 29.62 O HETATM 2152 O HOH A 656 44.888 62.676 39.548 1.00 21.66 O HETATM 2153 O HOH A 657 57.366 58.298 42.239 1.00 44.16 O HETATM 2154 O HOH A 658 33.105 67.362 18.869 1.00 27.70 O HETATM 2155 O HOH A 659 51.105 52.832 46.467 1.00 40.62 O HETATM 2156 O HOH A 660 52.177 67.170 21.821 1.00 32.21 O HETATM 2157 O HOH A 661 51.299 47.723 41.447 1.00 25.93 O HETATM 2158 O HOH A 662 42.956 51.880 41.901 1.00 24.93 O HETATM 2159 O HOH A 663 60.562 65.169 49.617 1.00 49.79 O HETATM 2160 O HOH A 664 39.160 72.747 36.023 1.00 29.96 O HETATM 2161 O HOH A 665 40.751 48.834 27.039 1.00 27.81 O HETATM 2162 O HOH A 666 45.389 74.430 36.774 1.00 36.30 O HETATM 2163 O HOH A 667 54.139 45.017 36.072 1.00 27.89 O HETATM 2164 O HOH A 668 27.721 54.388 33.152 1.00 37.30 O HETATM 2165 O HOH A 669 45.209 72.823 22.945 1.00 30.72 O HETATM 2166 O HOH A 670 56.491 56.859 35.378 1.00 41.20 O HETATM 2167 O HOH A 671 49.571 61.881 33.165 1.00 27.47 O HETATM 2168 O HOH A 672 29.263 59.183 38.172 1.00 34.04 O HETATM 2169 O HOH A 673 33.211 50.124 23.210 1.00 37.91 O HETATM 2170 O HOH A 674 29.168 73.849 22.642 1.00 37.75 O HETATM 2171 O HOH A 675 56.087 45.086 34.989 1.00 28.10 O HETATM 2172 O HOH A 676 49.419 45.674 37.605 1.00 40.68 O HETATM 2173 O HOH A 677 31.467 73.356 35.429 1.00 41.52 O HETATM 2174 O HOH A 678 34.941 49.182 25.847 1.00 33.94 O HETATM 2175 O HOH A 679 40.865 57.269 23.166 1.00 15.10 O HETATM 2176 O HOH A 680 50.042 55.565 47.386 1.00 50.46 O HETATM 2177 O HOH A 681 43.976 67.359 40.022 1.00 33.17 O HETATM 2178 O HOH A 682 42.607 62.917 21.867 1.00 33.88 O HETATM 2179 O HOH A 683 47.056 55.784 24.743 0.50 20.75 O HETATM 2180 O HOH A 684 42.642 65.432 20.740 1.00 39.69 O HETATM 2181 O HOH A 685 39.880 46.488 28.159 1.00 35.22 O HETATM 2182 O HOH A 686 45.516 65.261 38.708 1.00 27.83 O HETATM 2183 O HOH A 687 29.523 74.324 25.642 1.00 43.15 O HETATM 2184 O HOH A 688 57.293 42.405 27.625 1.00 29.54 O HETATM 2185 O HOH A 689 29.314 67.475 36.739 1.00 35.74 O HETATM 2186 O HOH A 690 42.387 75.230 20.496 1.00 37.85 O HETATM 2187 O HOH A 691 44.202 68.085 21.027 1.00 59.56 O HETATM 2188 O HOH A 692 27.091 58.077 26.677 1.00 29.23 O HETATM 2189 O HOH A 693 39.986 63.982 19.224 1.00 43.28 O HETATM 2190 O HOH A 694 44.123 56.190 19.873 1.00 33.60 O HETATM 2191 O HOH A 695 42.578 48.512 43.797 1.00 41.92 O HETATM 2192 O HOH A 696 44.564 66.081 42.423 1.00 35.51 O HETATM 2193 O HOH A 697 48.838 65.756 42.931 1.00 41.15 O HETATM 2194 O HOH A 698 46.348 69.978 20.956 1.00 35.35 O HETATM 2195 O HOH A 699 43.376 74.413 22.633 1.00 46.30 O HETATM 2196 O HOH A 700 39.086 54.396 44.112 1.00 37.95 O HETATM 2197 O HOH A 701 60.805 74.428 52.841 1.00 56.17 O HETATM 2198 O HOH A 702 41.504 44.637 29.209 1.00 28.24 O HETATM 2199 O HOH A 703 41.552 42.808 26.945 1.00 41.50 O HETATM 2200 O HOH A 704 46.652 62.383 20.143 1.00 33.74 O HETATM 2201 O HOH A 705 41.122 52.533 45.448 1.00 38.96 O HETATM 2202 O HOH A 706 46.620 67.199 43.611 1.00 42.09 O HETATM 2203 O HOH A 707 26.069 60.932 27.162 1.00 38.30 O HETATM 2204 O HOH A 708 45.817 64.631 18.581 1.00 34.43 O HETATM 2205 O HOH A 709 30.746 62.179 41.464 1.00 46.08 O HETATM 2206 O HOH A 710 41.781 78.218 21.927 1.00 39.97 O HETATM 2207 O HOH A 711 43.522 79.117 22.131 1.00 37.71 O CONECT 2083 2084 2085 2089 2090 CONECT 2084 2083 2091 CONECT 2085 2083 2086 2087 2092 CONECT 2086 2085 2093 CONECT 2087 2085 2088 2094 2095 CONECT 2088 2087 2096 CONECT 2089 2083 CONECT 2090 2083 CONECT 2091 2084 CONECT 2092 2085 CONECT 2093 2086 CONECT 2094 2087 CONECT 2095 2087 CONECT 2096 2088 END