USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1028 hydrogens (16 hets) HEADER PEPTIDE BINDING PROTEIN 06-JAN-16 5HFF TITLE THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 (G330T, H372A TITLE 2 DOUBLE MUTANT) IN COMPLEX WITH A MUTANT C-TERMINAL PEPTIDE DERIVED TITLE 3 FROM CRIPT (T-2F) 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; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: CYSTEINE-RICH PDZ-BINDING PROTEIN; COMPND 1 CHAIN: B; COMPND 2 FRAGMENT: PDZ3-BINDING DOMAIN (UNP RESIDUES 93-101); COMPND 3 SYNONYM: CYSTEINE-RICH INTERACTOR OF PDZ THREE,CYSTEINE-RICH COMPND 4 INTERACTOR OF PDZ3; COMPND 5 ENGINEERED: YES; COMPND 6 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; SOURCE 1 MOL_ID: 2; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 4 ORGANISM_COMMON: RAT; SOURCE 5 ORGANISM_TAXID: 10116 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 16-NOV-16 5HFF 0 JRNL AUTH A.S.RAMAN,K.I.WHITE,R.RANGANATHAN JRNL TITL ORIGINS OF ALLOSTERY AND EVOLVABILITY IN PROTEINS: A CASE JRNL TITL 2 STUDY. JRNL REF CELL(CAMBRIDGE,MASS.) V. 166 468 2016 JRNL REFN ISSN 0092-8674 JRNL PMID 27321669 JRNL DOI 10.1016/J.CELL.2016.05.047 REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.10PRE_2104: ???) 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) : 36.57 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.490 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 3 NUMBER OF REFLECTIONS : 12880 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.179 REMARK 3 R VALUE (WORKING SET) : 0.174 REMARK 3 FREE R VALUE : 0.221 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.980 REMARK 3 FREE R VALUE TEST SET COUNT : 1285 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 36.5768 - 3.6377 1.00 1430 160 0.1823 0.2119 REMARK 3 2 3.6377 - 2.8877 1.00 1313 146 0.1661 0.2151 REMARK 3 3 2.8877 - 2.5228 1.00 1308 145 0.1624 0.2061 REMARK 3 4 2.5228 - 2.2922 1.00 1284 142 0.1547 0.2239 REMARK 3 5 2.2922 - 2.1279 1.00 1279 143 0.1606 0.2527 REMARK 3 6 2.1279 - 2.0024 1.00 1272 141 0.1705 0.2046 REMARK 3 7 2.0024 - 1.9022 1.00 1258 140 0.1798 0.2390 REMARK 3 8 1.9022 - 1.8194 1.00 1258 140 0.2088 0.2285 REMARK 3 9 1.8194 - 1.7493 0.94 1193 128 0.2295 0.2835 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) : 0.190 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.220 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 : 0.013 1088 REMARK 3 ANGLE : 1.396 1482 REMARK 3 CHIRALITY : 0.412 166 REMARK 3 PLANARITY : 0.008 202 REMARK 3 DIHEDRAL : 19.354 402 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 7 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: (CHAIN A AND RESID 298:301) REMARK 3 ORIGIN FOR THE GROUP (A): 56.6047 68.5424 44.1257 REMARK 3 T TENSOR REMARK 3 T11: 0.1387 T22: 0.1339 REMARK 3 T33: 0.4072 T12: -0.2113 REMARK 3 T13: -0.0782 T23: 0.2226 REMARK 3 L TENSOR REMARK 3 L11: 0.6973 L22: 1.9118 REMARK 3 L33: 1.1048 L12: 0.4494 REMARK 3 L13: -0.8719 L23: -0.4007 REMARK 3 S TENSOR REMARK 3 S11: 0.0259 S12: -0.3079 S13: -0.2170 REMARK 3 S21: 0.1931 S22: -0.0906 S23: -0.1942 REMARK 3 S31: 0.1530 S32: 0.1384 S33: 0.1535 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: (CHAIN A AND RESID 302:306) REMARK 3 ORIGIN FOR THE GROUP (A): 55.0353 62.8422 45.8861 REMARK 3 T TENSOR REMARK 3 T11: 0.4072 T22: 0.4737 REMARK 3 T33: 0.6148 T12: 0.0614 REMARK 3 T13: -0.1325 T23: 0.0297 REMARK 3 L TENSOR REMARK 3 L11: 3.7907 L22: 3.0405 REMARK 3 L33: 3.8109 L12: 2.8941 REMARK 3 L13: -3.5902 L23: -2.1623 REMARK 3 S TENSOR REMARK 3 S11: 0.2326 S12: -0.9682 S13: -0.8226 REMARK 3 S21: 0.3943 S22: 0.2922 S23: -0.8510 REMARK 3 S31: 0.7028 S32: 0.8934 S33: -0.4744 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: (CHAIN A AND RESID 307:334) REMARK 3 ORIGIN FOR THE GROUP (A): 37.6869 61.4417 31.2387 REMARK 3 T TENSOR REMARK 3 T11: 0.0849 T22: 0.1529 REMARK 3 T33: 0.1408 T12: -0.0380 REMARK 3 T13: -0.0159 T23: 0.0278 REMARK 3 L TENSOR REMARK 3 L11: 1.8194 L22: 1.6967 REMARK 3 L33: 3.5424 L12: -0.7980 REMARK 3 L13: -0.1226 L23: -0.3335 REMARK 3 S TENSOR REMARK 3 S11: 0.0285 S12: 0.1087 S13: -0.0935 REMARK 3 S21: 0.0453 S22: 0.0300 S23: 0.0670 REMARK 3 S31: 0.0233 S32: -0.2635 S33: 0.0273 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: (CHAIN A AND RESID 335:351) REMARK 3 ORIGIN FOR THE GROUP (A): 43.8000 64.0887 28.9351 REMARK 3 T TENSOR REMARK 3 T11: 0.1041 T22: 0.1249 REMARK 3 T33: 0.0834 T12: -0.0123 REMARK 3 T13: -0.0248 T23: 0.0074 REMARK 3 L TENSOR REMARK 3 L11: 3.2180 L22: 5.0584 REMARK 3 L33: 3.9718 L12: 0.5496 REMARK 3 L13: -1.9898 L23: -1.9708 REMARK 3 S TENSOR REMARK 3 S11: 0.1032 S12: -0.1561 S13: 0.1517 REMARK 3 S21: 0.2477 S22: -0.1178 S23: -0.2976 REMARK 3 S31: -0.1479 S32: 0.0999 S33: -0.0036 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: (CHAIN A AND RESID 352:387) REMARK 3 ORIGIN FOR THE GROUP (A): 32.9819 61.4100 30.7416 REMARK 3 T TENSOR REMARK 3 T11: 0.1082 T22: 0.2043 REMARK 3 T33: 0.1153 T12: -0.0007 REMARK 3 T13: 0.0006 T23: 0.0341 REMARK 3 L TENSOR REMARK 3 L11: 1.7399 L22: 3.3377 REMARK 3 L33: 2.5912 L12: -0.4878 REMARK 3 L13: 0.1320 L23: -0.8952 REMARK 3 S TENSOR REMARK 3 S11: 0.0548 S12: 0.1822 S13: 0.0378 REMARK 3 S21: 0.0385 S22: 0.0313 S23: 0.2152 REMARK 3 S31: -0.0317 S32: -0.4241 S33: -0.0834 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: (CHAIN A AND RESID 388:415) REMARK 3 ORIGIN FOR THE GROUP (A): 48.0972 52.5603 36.8844 REMARK 3 T TENSOR REMARK 3 T11: 0.2034 T22: 0.1551 REMARK 3 T33: 0.1362 T12: 0.0181 REMARK 3 T13: -0.0261 T23: -0.0038 REMARK 3 L TENSOR REMARK 3 L11: 2.3526 L22: 3.0590 REMARK 3 L33: 1.9976 L12: -1.8212 REMARK 3 L13: -0.3662 L23: 0.2710 REMARK 3 S TENSOR REMARK 3 S11: -0.1934 S12: -0.1188 S13: 0.0608 REMARK 3 S21: 0.1239 S22: 0.2655 S23: -0.2516 REMARK 3 S31: 0.3957 S32: 0.1710 S33: -0.0799 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: (CHAIN B AND RESID 2:9) REMARK 3 ORIGIN FOR THE GROUP (A): 38.7590 51.8838 22.7840 REMARK 3 T TENSOR REMARK 3 T11: 0.2912 T22: 0.2356 REMARK 3 T33: 0.2657 T12: -0.0348 REMARK 3 T13: 0.0179 T23: -0.0593 REMARK 3 L TENSOR REMARK 3 L11: 7.5620 L22: 1.0138 REMARK 3 L33: 5.7020 L12: -0.6182 REMARK 3 L13: 0.2124 L23: -0.6404 REMARK 3 S TENSOR REMARK 3 S11: 0.0853 S12: 0.2641 S13: -0.9177 REMARK 3 S21: -0.3326 S22: -0.2864 S23: 0.2300 REMARK 3 S31: 0.9889 S32: -0.1546 S33: 0.1066 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 5HFF 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_1000216949. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-NOV-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.75 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) : 0.9791833 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 : 12880 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.749 REMARK 200 RESOLUTION RANGE LOW (A) : 36.569 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 200 DATA REDUNDANCY : 20.30 REMARK 200 R MERGE (I) : 0.06300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 50.2220 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 (%) : 94.0 REMARK 200 DATA REDUNDANCY IN SHELL : 20.10 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.826 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: 1BE9 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.16 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEPTIDE WAS INCLUDED IN PROTEIN BUFFER REMARK 280 TO A FINAL MOLAR RATIO OF 2:1 RELATIVE TO PROTEIN. RESERVOIR REMARK 280 SOLUTION CONTAINED 1.2 M SODIUM CITRATE, PH 6.75. EQUAL AMOUNTS REMARK 280 (1.5 MICROLITERS) OF PROTEIN (7 MG/ML) AND RESERVOIR SOLUTION REMARK 280 WERE MIXED AND EQUILLIBRATED AGAINST 500 MICROLITERS OF REMARK 280 CRYSTALLIZATION BUFFER., VAPOR DIFFUSION, HANGING DROP, REMARK 280 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 44.78750 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 44.78750 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.78750 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 44.78750 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 44.78750 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.78750 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 44.78750 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 44.78750 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 44.78750 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 44.78750 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 44.78750 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 44.78750 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 44.78750 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 44.78750 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 44.78750 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 44.78750 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 44.78750 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 44.78750 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 67.18125 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 22.39375 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 22.39375 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 67.18125 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 67.18125 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 67.18125 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 22.39375 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 22.39375 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 67.18125 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 22.39375 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 67.18125 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 22.39375 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 67.18125 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 22.39375 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 22.39375 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 22.39375 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 67.18125 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 22.39375 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 67.18125 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 67.18125 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 67.18125 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 22.39375 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 22.39375 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 67.18125 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 67.18125 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 22.39375 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 22.39375 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 22.39375 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 22.39375 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 67.18125 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 22.39375 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 67.18125 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 22.39375 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 67.18125 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 67.18125 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 67.18125 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1280 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7210 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -6.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 657 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 674 LIES ON A SPECIAL POSITION. REMARK 375 HOH B 101 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 465 THR B 1 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASP A 332 CG OD1 OD2 REMARK 470 ARG A 399 CD NE CZ NH1 NH2 REMARK 470 LYS B 2 CG CD CE NZ REMARK 470 ASN B 3 CG OD1 ND2 REMARK 470 LYS B 5 CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 602 O HOH A 672 2.03 REMARK 500 OE1 GLU A 396 O HOH A 601 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLY A 333 N - CA - C ANGL. DEV. = 15.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 LEU A 302 GLY A 303 -130.50 REMARK 500 REMARK 500 REMARK: NULL 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 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 502 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BE9 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: 5HF4 RELATED DB: PDB REMARK 900 RELATED ID: 5HFB RELATED DB: PDB REMARK 900 RELATED ID: 5HFC RELATED DB: PDB REMARK 900 RELATED ID: 5HFD RELATED DB: PDB REMARK 900 RELATED ID: 5HFE RELATED DB: PDB DBREF 5HFF A 302 402 UNP P31016 DLG4_RAT 302 402 DBREF 5HFF B 1 9 UNP Q792Q4 CRIPT_RAT 93 101 SEQADV 5HFF GLY A 297 UNP P31016 EXPRESSION TAG SEQADV 5HFF SER A 298 UNP P31016 EXPRESSION TAG SEQADV 5HFF PRO A 299 UNP P31016 EXPRESSION TAG SEQADV 5HFF GLU A 300 UNP P31016 EXPRESSION TAG SEQADV 5HFF PHE A 301 UNP P31016 EXPRESSION TAG SEQADV 5HFF THR A 330 UNP P31016 GLY 330 ENGINEERED MUTATION SEQADV 5HFF ALA A 372 UNP P31016 HIS 372 ENGINEERED MUTATION SEQADV 5HFF ASN A 403 UNP P31016 EXPRESSION TAG SEQADV 5HFF SER A 404 UNP P31016 EXPRESSION TAG SEQADV 5HFF ARG A 405 UNP P31016 EXPRESSION TAG SEQADV 5HFF VAL A 406 UNP P31016 EXPRESSION TAG SEQADV 5HFF ASP A 407 UNP P31016 EXPRESSION TAG SEQADV 5HFF SER A 408 UNP P31016 EXPRESSION TAG SEQADV 5HFF SER A 409 UNP P31016 EXPRESSION TAG SEQADV 5HFF GLY A 410 UNP P31016 EXPRESSION TAG SEQADV 5HFF ARG A 411 UNP P31016 EXPRESSION TAG SEQADV 5HFF ILE A 412 UNP P31016 EXPRESSION TAG SEQADV 5HFF VAL A 413 UNP P31016 EXPRESSION TAG SEQADV 5HFF THR A 414 UNP P31016 EXPRESSION TAG SEQADV 5HFF ASP A 415 UNP P31016 EXPRESSION TAG SEQADV 5HFF PHE B 7 UNP Q792Q4 THR 99 ENGINEERED MUTATION 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 THR 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 SEQRES 1 B 9 THR LYS ASN TYR LYS GLN PHE SER VAL HET GOL A 501 14 HET GOL A 502 14 HETNAM GOL GLYCEROL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 3 GOL 2(C3 H8 O3) FORMUL 5 HOH *98(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 3 PHE A 337 ILE A 341 0 SHEET 2 AA2 3 PHE A 325 THR A 330 -1 N VAL A 328 O PHE A 337 SHEET 3 AA2 3 TYR B 4 SER B 8 -1 O PHE B 7 N ILE A 327 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 6 ARG A 354 LYS A 355 TYR A 392 ARG A 411 SITE *** AC1 6 ILE A 412 THR A 414 SITE *** AC2 3 VAL A 406 HOH A 607 HOH A 662 CRYST1 89.575 89.575 89.575 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 0.011164 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011164 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011164 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 326 ASN A: amide:sc= -1.37 K(o=2.2,f=1.5!) USER MOD Set 1.2: A 326 ASN B: amide:sc= 1.1 K(o=2.2,f=-2.7!) USER MOD Set 1.3: A 339 SER OG : rot 156:sc= 1.05 USER MOD Set 1.4: B 4 TYR OH : rot 30:sc= 0.57 USER MOD Set 1.5: B 6 GLN : amide:sc= 0.258 K(o=2.2,f=-6!) USER MOD Set 1.6: B 8 SER OG : rot -129:sc= 0.616 USER MOD Set 2.1: A 404 SER OG B: rot -156:sc= -1.5 USER MOD Set 2.2: A 414 THR OG1A: rot -172:sc= 0.00673 USER MOD Set 3.1: A 392 TYR OH : rot -171:sc= 1.38 USER MOD Set 3.2: A 501 GOL O1 : rot -132:sc= 1.46 USER MOD Set 3.3: A 501 GOL O2 : rot -49:sc= 0.899 USER MOD Set 4.1: A 317 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.85) USER MOD Set 4.2: A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 298 SER OG B: rot -19:sc= 0.188 USER MOD Single : A 320 SER OG : rot 75:sc= 1.86 USER MOD Single : A 321 THR OG1A: rot -51:sc= 1.19 USER MOD Single : A 321 THR OG1B: rot 180:sc= -0.114 USER MOD Single : A 330 THR OG1A: rot 180:sc= 0 USER MOD Single : A 330 THR OG1B: rot 61:sc= -0.467 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ -168:sc= -0.0687 (180deg=-0.163) USER MOD Single : A 358 GLN : amide:sc= 0.503 X(o=0.5,f=0.62) USER MOD Single : A 361 SER OG : rot -178:sc= 2.41 USER MOD Single : A 363 ASN : amide:sc= 1.24 K(o=1.2,f=-3.3!) USER MOD Single : A 369 ASN : amide:sc= 0.86 X(o=0.86,f=0.63) USER MOD Single : A 371 SER OG : rot 126:sc= 1.3 USER MOD Single : A 374 GLN : amide:sc= 1.75 K(o=1.7,f=0.51) USER MOD Single : A 380 LYS NZ :NH3+ -144:sc= 1.21 (180deg=0.206) USER MOD Single : A 381 ASN : amide:sc= 0.616 K(o=0.62,f=0) USER MOD Single : A 384 GLN : amide:sc= 2.7 K(o=2.7,f=2.1) USER MOD Single : A 387 THR OG1 : rot 89:sc= 2.07 USER MOD Single : A 391 GLN : amide:sc= 0.218 X(o=0.22,f=-0.22) USER MOD Single : A 393 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.18) USER MOD Single : A 397 TYR OH : rot -169:sc= 0.905 USER MOD Single : A 398 SER OG : rot -54:sc= 0.9 USER MOD Single : A 403 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 404 SER OG A: rot -101:sc= 0.723 USER MOD Single : A 408 SER OG : rot 180:sc= 0.00676 USER MOD Single : A 409 SER OG A: rot -39:sc= 1.14 USER MOD Single : A 409 SER OG B: rot 180:sc= 0 USER MOD Single : A 414 THR OG1B: rot -93:sc=-0.00416 USER MOD Single : A 501 GOL O3 : rot -110:sc= 0.255 USER MOD Single : A 502 GOL O1 : rot -26:sc= 1.29 USER MOD Single : A 502 GOL O2 : rot 180:sc= 0.159 USER MOD Single : A 502 GOL O3 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N BSER A 298 49.053 71.485 36.024 0.49 18.62 N ANISOU 1 N BSER A 298 1877 1983 3215 -828 -606 1036 N ATOM 2 CA BSER A 298 50.479 71.225 36.238 0.49 21.92 C ANISOU 2 CA BSER A 298 2300 2389 3639 -811 -598 1029 C ATOM 3 C BSER A 298 50.642 70.126 37.300 0.49 18.80 C ANISOU 3 C BSER A 298 1897 1991 3253 -825 -600 1055 C ATOM 4 O BSER A 298 49.704 69.828 38.039 0.49 19.05 O ANISOU 4 O BSER A 298 1923 2035 3281 -845 -600 1072 O ATOM 5 CB BSER A 298 51.213 72.512 36.640 0.49 18.08 C ANISOU 5 CB BSER A 298 1806 1920 3143 -787 -588 1018 C ATOM 6 OG BSER A 298 50.504 73.207 37.646 0.49 26.90 O ANISOU 6 OG BSER A 298 2913 3063 4245 -794 -581 1027 O ATOM 0 HA BSER A 298 50.878 70.916 35.410 0.49 21.92 H new ATOM 0 HB2BSER A 298 52.103 72.295 36.959 0.49 18.08 H new ATOM 0 HB3BSER A 298 51.321 73.083 35.863 0.49 18.08 H new ATOM 0 HG BSER A 298 49.707 72.943 37.660 0.49 26.90 H new ATOM 7 N APRO A 299 65.609 69.428 48.576 0.51 41.45 N ANISOU 7 N APRO A 299 4343 5104 6302 -1027 -1234 1890 N ATOM 8 N BPRO A 299 51.822 69.490 37.355 0.49 18.88 N ANISOU 8 N BPRO A 299 1905 1982 3285 -816 -596 1062 N ATOM 9 CA APRO A 299 64.509 69.327 47.607 0.51 35.77 C ANISOU 9 CA APRO A 299 3666 4346 5581 -972 -1138 1776 C ATOM 10 CA BPRO A 299 52.049 68.505 38.424 0.49 23.94 C ANISOU 10 CA BPRO A 299 2536 2622 3939 -827 -600 1096 C ATOM 11 C APRO A 299 63.306 68.549 48.118 0.51 31.87 C ANISOU 11 C APRO A 299 3207 3862 5040 -984 -1127 1763 C ATOM 12 C BPRO A 299 51.777 69.095 39.815 0.49 23.55 C ANISOU 12 C BPRO A 299 2477 2610 3863 -835 -615 1118 C ATOM 13 O APRO A 299 63.475 67.542 48.803 0.51 41.64 O ANISOU 13 O APRO A 299 4407 5110 6305 -995 -1170 1844 O ATOM 14 O BPRO A 299 52.174 70.223 40.066 0.49 18.94 O ANISOU 14 O BPRO A 299 1889 2048 3260 -825 -620 1110 O ATOM 15 CB APRO A 299 65.148 68.598 46.419 0.51 39.99 C ANISOU 15 CB APRO A 299 4126 4816 6253 -889 -1096 1787 C ATOM 16 CB BPRO A 299 53.521 68.129 38.245 0.49 25.10 C ANISOU 16 CB BPRO A 299 2669 2745 4123 -808 -597 1107 C ATOM 17 CG APRO A 299 66.277 67.829 47.009 0.51 38.14 C ANISOU 17 CG APRO A 299 3800 4587 6104 -890 -1169 1925 C ATOM 18 CG BPRO A 299 53.803 68.417 36.780 0.49 19.14 C ANISOU 18 CG BPRO A 299 1933 1961 3377 -799 -571 1065 C ATOM 19 CD APRO A 299 66.803 68.688 48.127 0.51 47.88 C ANISOU 19 CD APRO A 299 5040 5881 7272 -980 -1280 2015 C ATOM 20 CD BPRO A 299 52.976 69.624 36.446 0.49 18.74 C ANISOU 20 CD BPRO A 299 1892 1939 3288 -797 -581 1042 C ATOM 0 HA APRO A 299 64.151 70.204 47.396 0.51 23.94 H new ATOM 0 HA BPRO A 299 51.453 67.742 38.365 0.49 23.94 H new ATOM 0 HB2APRO A 299 64.511 68.010 45.983 0.51 25.10 H new ATOM 0 HB2BPRO A 299 54.094 68.653 38.826 0.49 25.10 H new ATOM 0 HB3APRO A 299 65.461 69.225 45.748 0.51 25.10 H new ATOM 0 HB3BPRO A 299 53.677 67.196 38.459 0.49 25.10 H new ATOM 0 HG2APRO A 299 65.978 66.968 47.340 0.51 19.14 H new ATOM 0 HG2BPRO A 299 54.746 68.588 36.632 0.49 19.14 H new ATOM 0 HG3APRO A 299 66.965 67.655 46.348 0.51 19.14 H new ATOM 0 HG3BPRO A 299 53.561 67.662 36.222 0.49 19.14 H new ATOM 0 HD2APRO A 299 67.182 68.153 48.842 0.51 18.74 H new ATOM 0 HD2BPRO A 299 53.463 70.448 36.601 0.49 18.74 H new ATOM 0 HD3APRO A 299 67.501 69.287 47.820 0.51 18.74 H new ATOM 0 HD3BPRO A 299 52.703 69.627 35.515 0.49 18.74 H new ATOM 28 N AGLU A 300 62.107 69.021 47.784 0.51 23.29 N ANISOU 28 N AGLU A 300 2190 2769 3889 -983 -1064 1664 N ATOM 29 N BGLU A 300 51.101 68.340 40.685 0.49 19.62 N ANISOU 29 N BGLU A 300 1981 2114 3361 -862 -610 1139 N ATOM 30 CA AGLU A 300 60.869 68.324 48.135 0.51 35.70 C ANISOU 30 CA AGLU A 300 3800 4338 5426 -993 -1034 1641 C ATOM 31 CA BGLU A 300 50.666 68.824 42.005 0.49 19.75 C ANISOU 31 CA BGLU A 300 1998 2157 3346 -883 -608 1153 C ATOM 32 C AGLU A 300 60.170 67.842 46.866 0.51 32.93 C ANISOU 32 C AGLU A 300 3451 3933 5126 -930 -957 1576 C ATOM 33 C BGLU A 300 51.166 67.935 43.158 0.49 20.20 C ANISOU 33 C BGLU A 300 2056 2215 3405 -904 -619 1194 C ATOM 34 O AGLU A 300 59.501 68.614 46.189 0.51 21.86 O ANISOU 34 O AGLU A 300 2089 2523 3692 -918 -909 1496 O ATOM 35 O BGLU A 300 51.543 68.434 44.219 0.49 20.31 O ANISOU 35 O BGLU A 300 2073 2254 3388 -922 -631 1212 O ATOM 36 CB AGLU A 300 59.960 69.248 48.941 0.51 25.98 C ANISOU 36 CB AGLU A 300 2647 3144 4080 -1056 -1021 1590 C ATOM 37 CB BGLU A 300 49.133 68.898 42.074 0.49 40.24 C ANISOU 37 CB BGLU A 300 4600 4753 5938 -904 -580 1139 C ATOM 38 CG AGLU A 300 58.606 68.690 49.281 0.51 22.89 C ANISOU 38 CG AGLU A 300 2300 2741 3656 -1068 -975 1558 C ATOM 39 CG BGLU A 300 48.475 69.761 41.006 0.49 42.93 C ANISOU 39 CG BGLU A 300 4934 5095 6282 -888 -575 1112 C ATOM 40 CD AGLU A 300 57.897 69.564 50.297 0.51 37.41 C ANISOU 40 CD AGLU A 300 4210 4613 5392 -1140 -960 1523 C ATOM 41 CD BGLU A 300 47.050 69.315 40.679 0.49 43.33 C ANISOU 41 CD BGLU A 300 4978 5134 6350 -911 -561 1112 C ATOM 42 OE1AGLU A 300 58.452 69.774 51.396 0.51 52.66 O ANISOU 42 OE1AGLU A 300 6156 6583 7269 -1208 -1017 1572 O ATOM 43 OE1BGLU A 300 46.579 69.588 39.552 0.49 54.56 O ANISOU 43 OE1BGLU A 300 6394 6552 7782 -904 -572 1102 O ATOM 44 OE2AGLU A 300 56.803 70.064 49.994 0.51 23.95 O ANISOU 44 OE2AGLU A 300 2545 2892 3662 -1134 -890 1448 O ATOM 45 OE2BGLU A 300 46.398 68.697 41.548 0.49 47.47 O ANISOU 45 OE2BGLU A 300 5503 5654 6880 -940 -538 1125 O ATOM 0 H AGLU A 300 61.987 69.753 47.348 0.51 19.62 H new ATOM 0 H BGLU A 300 50.879 67.525 40.526 0.49 19.62 H new ATOM 0 HA AGLU A 300 61.078 67.551 48.683 0.51 19.75 H new ATOM 0 HA BGLU A 300 51.054 69.707 42.111 0.49 19.75 H new ATOM 0 HB2AGLU A 300 60.413 69.482 49.766 0.51 40.24 H new ATOM 0 HB2BGLU A 300 48.777 67.998 42.006 0.49 40.24 H new ATOM 0 HB3AGLU A 300 59.837 70.071 48.442 0.51 40.24 H new ATOM 0 HB3BGLU A 300 48.879 69.239 42.946 0.49 40.24 H new ATOM 0 HG2AGLU A 300 58.069 68.623 48.476 0.51 42.93 H new ATOM 0 HG2BGLU A 300 48.460 70.683 41.305 0.49 42.93 H new ATOM 0 HG3AGLU A 300 58.702 67.791 49.633 0.51 42.93 H new ATOM 0 HG3BGLU A 300 49.011 69.734 40.198 0.49 42.93 H new ATOM 58 N APHE A 301 60.324 66.570 46.512 0.51 22.85 N ANISOU 58 N APHE A 301 2133 2619 3928 -898 -942 1613 N ATOM 59 N BPHE A 301 51.101 66.621 42.967 0.49 20.57 N ANISOU 59 N BPHE A 301 2103 2230 3483 -909 -609 1210 N ATOM 60 CA APHE A 301 59.806 66.002 45.267 0.51 26.31 C ANISOU 60 CA APHE A 301 2578 3003 4417 -851 -868 1557 C ATOM 61 CA BPHE A 301 51.520 65.686 43.992 0.49 21.11 C ANISOU 61 CA BPHE A 301 2171 2290 3558 -929 -612 1255 C ATOM 62 C APHE A 301 58.362 65.505 45.348 0.51 27.36 C ANISOU 62 C APHE A 301 2768 3126 4502 -869 -823 1513 C ATOM 63 C BPHE A 301 52.813 65.115 43.472 0.49 39.38 C ANISOU 63 C BPHE A 301 4462 4581 5919 -903 -626 1281 C ATOM 64 O APHE A 301 57.999 64.831 46.285 0.51 36.57 O ANISOU 64 O APHE A 301 3945 4298 5653 -899 -831 1552 O ATOM 65 O BPHE A 301 52.838 64.392 42.481 0.49 35.17 O ANISOU 65 O BPHE A 301 3934 4005 5422 -894 -596 1264 O ATOM 66 CB APHE A 301 60.694 64.850 44.825 0.51 23.28 C ANISOU 66 CB APHE A 301 2132 2571 4143 -814 -849 1612 C ATOM 67 CB BPHE A 301 50.411 64.660 44.235 0.49 21.59 C ANISOU 67 CB BPHE A 301 2255 2324 3626 -960 -569 1254 C ATOM 68 CG APHE A 301 62.070 65.261 44.511 0.51 31.06 C ANISOU 68 CG APHE A 301 3051 3553 5199 -788 -878 1655 C ATOM 69 CG BPHE A 301 49.070 65.302 44.368 0.49 28.84 C ANISOU 69 CG BPHE A 301 3184 3256 4517 -981 -545 1225 C ATOM 70 CD1APHE A 301 62.317 65.939 43.377 0.51 22.80 C ANISOU 70 CD1APHE A 301 2008 2480 4174 -756 -839 1594 C ATOM 71 CD1BPHE A 301 48.675 65.875 45.560 0.49 28.27 C ANISOU 71 CD1BPHE A 301 3126 3205 4412 -1008 -533 1235 C ATOM 72 CD2APHE A 301 63.114 64.957 45.346 0.51 33.08 C ANISOU 72 CD2APHE A 301 3237 3831 5501 -799 -944 1761 C ATOM 73 CD2BPHE A 301 48.247 65.426 43.267 0.49 21.35 C ANISOU 73 CD2BPHE A 301 2232 2299 3581 -977 -531 1190 C ATOM 74 CE1APHE A 301 63.576 66.305 43.042 0.51 23.58 C ANISOU 74 CE1APHE A 301 2047 2567 4346 -733 -854 1630 C ATOM 75 CE1BPHE A 301 47.464 66.505 45.669 0.49 24.98 C ANISOU 75 CE1BPHE A 301 2715 2793 3984 -1026 -494 1208 C ATOM 76 CE2APHE A 301 64.400 65.321 45.015 0.51 41.60 C ANISOU 76 CE2APHE A 301 4246 4903 6656 -774 -970 1808 C ATOM 77 CE2BPHE A 301 47.031 66.062 43.371 0.49 21.39 C ANISOU 77 CE2BPHE A 301 2234 2316 3577 -993 -508 1174 C ATOM 78 CZ APHE A 301 64.615 66.025 43.871 0.51 23.94 C ANISOU 78 CZ APHE A 301 2019 2632 4445 -740 -919 1739 C ATOM 79 CZ BPHE A 301 46.642 66.601 44.572 0.49 25.71 C ANISOU 79 CZ BPHE A 301 2790 2877 4100 -1015 -483 1181 C ATOM 0 H APHE A 301 60.742 65.998 46.999 0.51 20.57 H new ATOM 0 H BPHE A 301 50.815 66.253 42.244 0.49 20.57 H new ATOM 0 HA APHE A 301 59.812 66.729 44.625 0.51 21.11 H new ATOM 0 HA BPHE A 301 51.672 66.081 44.865 0.49 21.11 H new ATOM 0 HB2APHE A 301 60.716 64.180 45.526 0.51 21.59 H new ATOM 0 HB2BPHE A 301 50.393 64.025 43.502 0.49 21.59 H new ATOM 0 HB3APHE A 301 60.303 64.430 44.043 0.51 21.59 H new ATOM 0 HB3BPHE A 301 50.609 64.157 45.040 0.49 21.59 H new ATOM 0 HD1APHE A 301 61.611 66.160 42.813 0.51 28.27 H new ATOM 0 HD1BPHE A 301 49.239 65.833 46.299 0.49 28.27 H new ATOM 0 HD2APHE A 301 62.953 64.502 46.141 0.51 21.35 H new ATOM 0 HD2BPHE A 301 48.516 65.077 42.448 0.49 21.35 H new ATOM 0 HE1APHE A 301 63.731 66.750 42.240 0.51 24.98 H new ATOM 0 HE1BPHE A 301 47.199 66.867 46.483 0.49 24.98 H new ATOM 0 HE2APHE A 301 65.112 65.089 45.566 0.51 21.39 H new ATOM 0 HE2BPHE A 301 46.474 66.126 42.629 0.49 21.39 H new ATOM 0 HZ APHE A 301 65.472 66.314 43.657 0.51 25.71 H new ATOM 0 HZ BPHE A 301 45.821 67.032 44.643 0.49 25.71 H new ATOM 98 N ALEU A 302 57.559 65.885 44.362 0.51 37.63 N ANISOU 98 N ALEU A 302 3187 5065 6046 391 -830 -820 N ATOM 99 N BLEU A 302 53.905 65.566 44.088 0.49 32.53 N ANISOU 99 N BLEU A 302 3251 3885 5222 104 -619 -117 N ATOM 100 CA ALEU A 302 56.137 65.579 44.349 0.51 35.83 C ANISOU 100 CA ALEU A 302 3259 4607 5747 313 -787 -528 C ATOM 101 CA BLEU A 302 55.285 65.284 43.678 0.49 33.96 C ANISOU 101 CA BLEU A 302 3228 4075 5600 264 -678 -404 C ATOM 102 C ALEU A 302 55.940 64.087 44.300 0.51 37.20 C ANISOU 102 C ALEU A 302 3557 4486 6091 520 -976 -288 C ATOM 103 C BLEU A 302 55.800 63.968 44.223 0.49 37.07 C ANISOU 103 C BLEU A 302 3588 4383 6114 532 -969 -259 C ATOM 104 O ALEU A 302 55.134 63.533 45.015 0.51 36.78 O ANISOU 104 O ALEU A 302 3737 4289 5949 485 -1039 13 O ATOM 105 O BLEU A 302 55.217 63.437 45.139 0.49 42.67 O ANISOU 105 O BLEU A 302 4335 5194 6683 599 -1186 1 O ATOM 106 CB ALEU A 302 55.447 66.258 43.201 0.51 33.04 C ANISOU 106 CB ALEU A 302 3008 4113 5433 121 -458 -631 C ATOM 107 CB BLEU A 302 56.164 66.418 44.119 0.49 34.37 C ANISOU 107 CB BLEU A 302 3042 4450 5567 200 -591 -703 C ATOM 108 CG ALEU A 302 55.128 67.732 43.453 0.51 31.08 C ANISOU 108 CG ALEU A 302 2724 4058 5027 -100 -166 -765 C ATOM 109 CG BLEU A 302 55.965 67.680 43.268 0.49 31.90 C ANISOU 109 CG BLEU A 302 2702 4165 5255 -5 -225 -947 C ATOM 110 CD1ALEU A 302 56.327 68.610 43.721 0.51 33.26 C ANISOU 110 CD1ALEU A 302 2758 4595 5283 -122 -108 -1141 C ATOM 111 CD1BLEU A 302 54.550 68.005 42.928 0.49 30.81 C ANISOU 111 CD1BLEU A 302 2769 3890 5048 -171 -14 -701 C ATOM 112 CD2ALEU A 302 54.333 68.286 42.310 0.51 35.07 C ANISOU 112 CD2ALEU A 302 3303 4402 5621 -238 136 -744 C ATOM 113 CD2BLEU A 302 56.611 68.888 43.886 0.49 32.64 C ANISOU 113 CD2BLEU A 302 2643 4577 5183 -129 -116 -1188 C ATOM 0 H ALEU A 302 57.827 66.331 43.677 0.51 32.53 H new ATOM 0 H BLEU A 302 53.862 66.066 44.786 0.49 32.53 H new ATOM 0 HA ALEU A 302 55.736 65.919 45.164 0.51 33.96 H new ATOM 0 HA BLEU A 302 55.301 65.202 42.712 0.49 33.96 H new ATOM 0 HB2ALEU A 302 56.007 66.188 42.412 0.51 34.37 H new ATOM 0 HB2BLEU A 302 55.978 66.625 45.048 0.49 34.37 H new ATOM 0 HB3ALEU A 302 54.622 65.786 43.007 0.51 34.37 H new ATOM 0 HB3BLEU A 302 57.093 66.142 44.070 0.49 34.37 H new ATOM 0 HG ALEU A 302 54.611 67.746 44.274 0.51 31.90 H new ATOM 0 HG BLEU A 302 56.405 67.454 42.434 0.49 31.90 H new ATOM 0 HD11ALEU A 302 56.033 69.523 43.869 0.51 30.81 H new ATOM 0 HD11BLEU A 302 54.523 68.813 42.392 0.49 30.81 H new ATOM 0 HD12ALEU A 302 56.794 68.289 44.509 0.51 30.81 H new ATOM 0 HD12BLEU A 302 54.161 67.272 42.426 0.49 30.81 H new ATOM 0 HD13ALEU A 302 56.925 68.583 42.958 0.51 30.81 H new ATOM 0 HD13BLEU A 302 54.044 68.142 43.744 0.49 30.81 H new ATOM 0 HD21ALEU A 302 54.134 69.221 42.477 0.51 32.64 H new ATOM 0 HD21BLEU A 302 56.462 69.661 43.319 0.49 32.64 H new ATOM 0 HD22ALEU A 302 54.845 68.206 41.490 0.51 32.64 H new ATOM 0 HD22BLEU A 302 56.224 69.050 44.761 0.49 32.64 H new ATOM 0 HD23ALEU A 302 53.504 67.790 42.222 0.51 32.64 H new ATOM 0 HD23BLEU A 302 57.564 68.734 43.978 0.49 32.64 H new ATOM 135 N GLY A 303 56.882 63.442 43.653 1.00 39.16 N ANISOU 135 N GLY A 303 3651 4630 6597 732 -1031 -422 N ATOM 136 CA GLY A 303 57.025 62.083 43.195 1.00 44.91 C ANISOU 136 CA GLY A 303 4520 4992 7550 916 -1085 -264 C ATOM 137 C GLY A 303 56.792 61.107 44.330 1.00 45.46 C ANISOU 137 C GLY A 303 4668 5021 7583 1098 -1342 123 C ATOM 138 O GLY A 303 56.332 60.029 44.125 1.00 50.67 O ANISOU 138 O GLY A 303 5527 5327 8398 1204 -1333 290 O ATOM 0 H AGLY A 303 57.587 63.882 43.432 0.51 39.16 H new ATOM 0 H BGLY A 303 57.593 63.907 43.519 0.49 39.16 H new ATOM 0 HA2 GLY A 303 56.394 61.910 42.479 1.00 44.91 H new ATOM 0 HA3 GLY A 303 57.913 61.953 42.828 1.00 44.91 H new ATOM 139 N GLU A 304 57.172 61.492 45.526 1.00 48.28 N ANISOU 139 N GLU A 304 4887 5735 7722 1107 -1552 265 N ATOM 140 CA GLU A 304 56.939 60.695 46.723 1.00 54.90 C ANISOU 140 CA GLU A 304 5794 6569 8497 1265 -1811 666 C ATOM 141 C GLU A 304 55.454 60.615 47.134 1.00 58.86 C ANISOU 141 C GLU A 304 6589 7070 8705 1044 -1820 877 C ATOM 142 O GLU A 304 55.026 59.636 47.723 1.00 47.89 O ANISOU 142 O GLU A 304 5364 5553 7278 1139 -1975 1213 O ATOM 143 CB GLU A 304 57.783 61.175 47.911 1.00 70.21 C ANISOU 143 CB GLU A 304 7389 8938 10348 1388 -2075 759 C ATOM 144 CG GLU A 304 59.041 61.942 47.577 1.00 69.14 C ANISOU 144 CG GLU A 304 6906 9050 10314 1392 -2008 415 C ATOM 145 CD GLU A 304 60.288 61.089 47.533 1.00 81.39 C ANISOU 145 CD GLU A 304 8059 10911 11954 1632 -2279 597 C ATOM 146 OE1 GLU A 304 61.049 61.219 46.555 1.00 87.10 O ANISOU 146 OE1 GLU A 304 8468 11797 12829 1687 -2229 356 O ATOM 147 OE2 GLU A 304 60.525 60.302 48.479 1.00 83.77 O ANISOU 147 OE2 GLU A 304 8340 11312 12178 1765 -2543 1008 O ATOM 0 H GLU A 304 57.580 62.234 45.676 1.00 48.28 H new ATOM 0 HA GLU A 304 57.219 59.799 46.480 1.00 54.90 H new ATOM 0 HB2 GLU A 304 57.225 61.736 48.473 1.00 70.21 H new ATOM 0 HB3 GLU A 304 58.031 60.401 48.440 1.00 70.21 H new ATOM 0 HG2 GLU A 304 58.926 62.375 46.717 1.00 69.14 H new ATOM 0 HG3 GLU A 304 59.164 62.645 48.234 1.00 69.14 H new ATOM 154 N GLU A 305 54.747 61.737 47.046 1.00 41.98 N ANISOU 154 N GLU A 305 4513 5048 6389 764 -1620 700 N ATOM 155 CA GLU A 305 53.482 62.026 47.686 1.00 40.35 C ANISOU 155 CA GLU A 305 4538 4865 5928 561 -1581 909 C ATOM 156 C GLU A 305 52.391 61.225 47.031 1.00 39.01 C ANISOU 156 C GLU A 305 4645 4330 5846 533 -1515 1105 C ATOM 157 O GLU A 305 52.370 61.074 45.815 1.00 37.86 O ANISOU 157 O GLU A 305 4534 3969 5882 504 -1362 961 O ATOM 158 CB GLU A 305 53.164 63.524 47.608 1.00 37.86 C ANISOU 158 CB GLU A 305 4190 4740 5456 293 -1308 690 C ATOM 159 CG GLU A 305 54.181 64.340 48.372 1.00 39.59 C ANISOU 159 CG GLU A 305 4179 5344 5519 235 -1352 479 C ATOM 160 CD GLU A 305 54.236 65.797 47.961 1.00 38.16 C ANISOU 160 CD GLU A 305 3930 5285 5285 10 -1007 154 C ATOM 161 OE1 GLU A 305 53.356 66.237 47.191 1.00 34.79 O ANISOU 161 OE1 GLU A 305 3627 4659 4934 -91 -731 160 O ATOM 162 OE2 GLU A 305 55.186 66.490 48.400 1.00 39.11 O ANISOU 162 OE2 GLU A 305 3857 5715 5289 -75 -1007 -89 O ATOM 0 H GLU A 305 55.022 62.399 46.571 1.00 41.98 H new ATOM 0 HA GLU A 305 53.541 61.780 48.622 1.00 40.35 H new ATOM 0 HB2 GLU A 305 53.150 63.806 46.680 1.00 37.86 H new ATOM 0 HB3 GLU A 305 52.278 63.688 47.967 1.00 37.86 H new ATOM 0 HG2 GLU A 305 53.978 64.288 49.319 1.00 39.59 H new ATOM 0 HG3 GLU A 305 55.058 63.945 48.248 1.00 39.59 H new ATOM 169 N ASP A 306 51.477 60.725 47.845 1.00 39.37 N ANISOU 169 N ASP A 306 4894 4328 5735 498 -1624 1431 N ATOM 170 CA ASP A 306 50.376 59.927 47.331 1.00 38.45 C ANISOU 170 CA ASP A 306 5049 3901 5660 426 -1576 1645 C ATOM 171 C ASP A 306 49.499 60.774 46.420 1.00 35.28 C ANISOU 171 C ASP A 306 4691 3485 5228 159 -1308 1576 C ATOM 172 O ASP A 306 49.224 61.946 46.694 1.00 33.72 O ANISOU 172 O ASP A 306 4409 3495 4909 22 -1152 1525 O ATOM 173 CB ASP A 306 49.544 59.346 48.474 1.00 39.45 C ANISOU 173 CB ASP A 306 5371 4016 5602 423 -1735 2010 C ATOM 174 CG ASP A 306 50.343 58.395 49.359 1.00 54.12 C ANISOU 174 CG ASP A 306 7180 5887 7496 696 -2012 2167 C ATOM 175 OD1 ASP A 306 51.283 57.729 48.857 1.00 51.54 O ANISOU 175 OD1 ASP A 306 6745 5417 7420 921 -2055 2082 O ATOM 176 OD2 ASP A 306 50.022 58.313 50.563 1.00 63.97 O ANISOU 176 OD2 ASP A 306 8480 7327 8500 670 -2068 2300 O ATOM 0 H ASP A 306 51.475 60.835 48.698 1.00 39.37 H new ATOM 0 HA ASP A 306 50.745 59.190 46.820 1.00 38.45 H new ATOM 0 HB2 ASP A 306 49.196 60.071 49.016 1.00 39.45 H new ATOM 0 HB3 ASP A 306 48.780 58.875 48.106 1.00 39.45 H new ATOM 181 N ILE A 307 49.073 60.168 45.321 1.00 24.22 N ANISOU 181 N ILE A 307 3008 3485 2712 94 -873 155 N ATOM 182 CA ILE A 307 48.119 60.797 44.446 1.00 20.07 C ANISOU 182 CA ILE A 307 2500 2861 2265 -4 -781 146 C ATOM 183 C ILE A 307 46.758 60.659 45.124 1.00 17.69 C ANISOU 183 C ILE A 307 2333 2495 1892 46 -697 190 C ATOM 184 O ILE A 307 46.374 59.550 45.487 1.00 18.69 O ANISOU 184 O ILE A 307 2510 2609 1984 127 -645 272 O ATOM 185 CB ILE A 307 48.134 60.152 43.071 1.00 19.66 C ANISOU 185 CB ILE A 307 2369 2777 2325 -28 -710 186 C ATOM 186 CG1 ILE A 307 49.484 60.397 42.373 1.00 26.00 C ANISOU 186 CG1 ILE A 307 3021 3667 3191 -72 -775 149 C ATOM 187 CG2 ILE A 307 46.960 60.673 42.207 1.00 15.78 C ANISOU 187 CG2 ILE A 307 1906 2197 1895 -106 -613 189 C ATOM 188 CD1 ILE A 307 49.648 59.624 41.112 1.00 31.93 C ANISOU 188 CD1 ILE A 307 3704 4408 4021 -54 -709 186 C ATOM 0 H ILE A 307 49.330 59.387 45.069 1.00 24.22 H new ATOM 0 HA ILE A 307 48.334 61.732 44.302 1.00 20.07 H new ATOM 0 HB ILE A 307 48.021 59.195 43.182 1.00 19.66 H new ATOM 0 HG12 ILE A 307 49.572 61.343 42.178 1.00 26.00 H new ATOM 0 HG13 ILE A 307 50.202 60.165 42.982 1.00 26.00 H new ATOM 0 HG21 ILE A 307 46.987 60.250 41.335 1.00 15.78 H new ATOM 0 HG22 ILE A 307 46.119 60.462 42.642 1.00 15.78 H new ATOM 0 HG23 ILE A 307 47.037 61.634 42.102 1.00 15.78 H new ATOM 0 HD11 ILE A 307 50.514 59.821 40.722 1.00 31.93 H new ATOM 0 HD12 ILE A 307 49.588 58.675 41.304 1.00 31.93 H new ATOM 0 HD13 ILE A 307 48.949 59.872 40.487 1.00 31.93 H new ATOM 200 N PRO A 308 46.020 61.764 45.309 1.00 15.37 N ANISOU 200 N PRO A 308 2102 2163 1575 4 -675 145 N ATOM 201 CA PRO A 308 44.695 61.667 45.929 1.00 15.34 C ANISOU 201 CA PRO A 308 2202 2130 1498 64 -580 195 C ATOM 202 C PRO A 308 43.701 60.770 45.215 1.00 15.50 C ANISOU 202 C PRO A 308 2196 2107 1585 54 -460 287 C ATOM 203 O PRO A 308 43.632 60.793 43.982 1.00 13.62 O ANISOU 203 O PRO A 308 1882 1836 1456 -20 -434 281 O ATOM 204 CB PRO A 308 44.176 63.102 45.897 1.00 30.09 C ANISOU 204 CB PRO A 308 4123 3958 3353 27 -574 121 C ATOM 205 CG PRO A 308 45.393 63.932 45.864 1.00 32.40 C ANISOU 205 CG PRO A 308 4389 4258 3664 -46 -699 23 C ATOM 206 CD PRO A 308 46.372 63.167 45.026 1.00 43.73 C ANISOU 206 CD PRO A 308 5685 5733 5197 -92 -731 50 C ATOM 0 HA PRO A 308 44.783 61.268 46.809 1.00 15.34 H new ATOM 0 HB2 PRO A 308 43.620 63.259 45.118 1.00 30.09 H new ATOM 0 HB3 PRO A 308 43.634 63.300 46.677 1.00 30.09 H new ATOM 0 HG2 PRO A 308 45.211 64.804 45.481 1.00 32.40 H new ATOM 0 HG3 PRO A 308 45.739 64.081 46.758 1.00 32.40 H new ATOM 0 HD2 PRO A 308 46.281 63.378 44.084 1.00 43.73 H new ATOM 0 HD3 PRO A 308 47.289 63.365 45.273 1.00 43.73 H new ATOM 214 N ARG A 309 42.966 59.990 46.007 1.00 15.00 N ANISOU 214 N ARG A 309 2200 2050 1450 120 -392 371 N ATOM 215 CA ARG A 309 42.081 58.950 45.476 1.00 14.65 C ANISOU 215 CA ARG A 309 2137 1963 1467 88 -288 464 C ATOM 216 C ARG A 309 40.592 59.286 45.594 1.00 14.67 C ANISOU 216 C ARG A 309 2145 1981 1449 74 -179 508 C ATOM 217 O ARG A 309 39.738 58.534 45.125 1.00 14.58 O ANISOU 217 O ARG A 309 2098 1949 1494 17 -96 579 O ATOM 218 CB ARG A 309 42.394 57.621 46.164 1.00 16.63 C ANISOU 218 CB ARG A 309 2450 2197 1671 153 -280 551 C ATOM 219 CG ARG A 309 43.640 56.984 45.538 1.00 20.22 C ANISOU 219 CG ARG A 309 2864 2629 2190 164 -357 527 C ATOM 220 CD ARG A 309 44.003 55.700 46.192 1.00 35.12 C ANISOU 220 CD ARG A 309 4833 4485 4025 257 -351 616 C ATOM 221 NE ARG A 309 45.252 55.178 45.655 1.00 33.74 N ANISOU 221 NE ARG A 309 4616 4311 3892 306 -426 589 N ATOM 222 CZ ARG A 309 45.357 54.243 44.721 1.00 33.35 C ANISOU 222 CZ ARG A 309 4566 4176 3931 293 -394 610 C ATOM 223 NH1 ARG A 309 44.283 53.678 44.170 1.00 16.15 N ANISOU 223 NH1 ARG A 309 2427 1891 1817 203 -300 653 N ATOM 224 NH2 ARG A 309 46.563 53.844 44.368 1.00 18.90 N ANISOU 224 NH2 ARG A 309 2695 2373 2113 376 -460 586 N ATOM 0 H ARG A 309 42.965 60.048 46.865 1.00 15.00 H new ATOM 0 HA ARG A 309 42.256 58.886 44.524 1.00 14.65 H new ATOM 0 HB2 ARG A 309 42.538 57.766 47.112 1.00 16.63 H new ATOM 0 HB3 ARG A 309 41.638 57.019 46.080 1.00 16.63 H new ATOM 0 HG2 ARG A 309 43.483 56.831 44.593 1.00 20.22 H new ATOM 0 HG3 ARG A 309 44.385 57.601 45.605 1.00 20.22 H new ATOM 0 HD2 ARG A 309 44.089 55.833 47.149 1.00 35.12 H new ATOM 0 HD3 ARG A 309 43.293 55.052 46.058 1.00 35.12 H new ATOM 0 HE ARG A 309 45.983 55.504 45.970 1.00 33.74 H new ATOM 0 HH11 ARG A 309 43.496 53.918 44.419 1.00 16.15 H new ATOM 0 HH12 ARG A 309 44.377 53.073 43.566 1.00 16.15 H new ATOM 0 HH21 ARG A 309 47.257 54.189 44.741 1.00 18.90 H new ATOM 0 HH22 ARG A 309 46.656 53.239 43.764 1.00 18.90 H new ATOM 238 N GLU A 310 40.275 60.440 46.160 1.00 14.98 N ANISOU 238 N GLU A 310 2224 2060 1407 124 -180 460 N ATOM 239 CA GLU A 310 38.872 60.820 46.272 1.00 15.22 C ANISOU 239 CA GLU A 310 2245 2130 1406 143 -70 504 C ATOM 240 C GLU A 310 38.409 61.450 44.960 1.00 14.29 C ANISOU 240 C GLU A 310 2039 1998 1393 74 -55 467 C ATOM 241 O GLU A 310 39.240 61.919 44.178 1.00 13.60 O ANISOU 241 O GLU A 310 1930 1864 1373 28 -132 394 O ATOM 242 CB GLU A 310 38.619 61.792 47.432 1.00 33.06 C ANISOU 242 CB GLU A 310 4606 4438 3517 261 -63 467 C ATOM 243 CG GLU A 310 39.694 62.801 47.672 1.00 46.02 C ANISOU 243 CG GLU A 310 6319 6046 5121 280 -188 340 C ATOM 244 CD GLU A 310 40.837 62.228 48.507 1.00 48.55 C ANISOU 244 CD GLU A 310 6690 6384 5374 311 -286 328 C ATOM 245 OE1 GLU A 310 40.617 61.830 49.674 1.00 70.20 O ANISOU 245 OE1 GLU A 310 9513 9179 7980 411 -258 379 O ATOM 246 OE2 GLU A 310 41.955 62.156 47.977 1.00 37.18 O ANISOU 246 OE2 GLU A 310 5199 4917 4010 246 -387 277 O ATOM 0 H GLU A 310 40.838 61.006 46.479 1.00 14.98 H new ATOM 0 HA GLU A 310 38.365 60.014 46.457 1.00 15.22 H new ATOM 0 HB2 GLU A 310 37.787 62.262 47.264 1.00 33.06 H new ATOM 0 HB3 GLU A 310 38.494 61.276 48.244 1.00 33.06 H new ATOM 0 HG2 GLU A 310 40.040 63.113 46.821 1.00 46.02 H new ATOM 0 HG3 GLU A 310 39.318 63.572 48.125 1.00 46.02 H new ATOM 253 N PRO A 311 37.091 61.473 44.726 1.00 14.96 N ANISOU 253 N PRO A 311 2063 2138 1483 73 45 526 N ATOM 254 CA PRO A 311 36.562 62.082 43.495 1.00 13.83 C ANISOU 254 CA PRO A 311 1834 2003 1418 32 56 499 C ATOM 255 C PRO A 311 36.808 63.584 43.452 1.00 13.82 C ANISOU 255 C PRO A 311 1898 1973 1379 102 19 414 C ATOM 256 O PRO A 311 36.757 64.235 44.484 1.00 14.69 O ANISOU 256 O PRO A 311 2109 2092 1381 201 25 388 O ATOM 257 CB PRO A 311 35.072 61.780 43.555 1.00 16.54 C ANISOU 257 CB PRO A 311 2091 2449 1746 38 169 589 C ATOM 258 CG PRO A 311 34.903 60.749 44.597 1.00 21.24 C ANISOU 258 CG PRO A 311 2716 3065 2290 34 222 675 C ATOM 259 CD PRO A 311 36.010 60.924 45.568 1.00 17.97 C ANISOU 259 CD PRO A 311 2437 2598 1792 110 156 630 C ATOM 0 HA PRO A 311 36.992 61.731 42.700 1.00 13.83 H new ATOM 0 HB2 PRO A 311 34.565 62.578 43.772 1.00 16.54 H new ATOM 0 HB3 PRO A 311 34.748 61.462 42.698 1.00 16.54 H new ATOM 0 HG2 PRO A 311 34.043 60.844 45.037 1.00 21.24 H new ATOM 0 HG3 PRO A 311 34.926 59.861 44.207 1.00 21.24 H new ATOM 0 HD2 PRO A 311 35.768 61.530 46.286 1.00 17.97 H new ATOM 0 HD3 PRO A 311 36.265 60.084 45.980 1.00 17.97 H new ATOM 267 N ARG A 312 37.081 64.104 42.269 1.00 13.09 N ANISOU 267 N ARG A 312 1766 1839 1368 52 -17 373 N ATOM 268 CA ARG A 312 37.348 65.521 42.058 1.00 13.23 C ANISOU 268 CA ARG A 312 1861 1797 1369 96 -48 302 C ATOM 269 C ARG A 312 36.434 66.036 40.967 1.00 13.07 C ANISOU 269 C ARG A 312 1773 1807 1384 117 3 329 C ATOM 270 O ARG A 312 36.082 65.280 40.073 1.00 12.54 O ANISOU 270 O ARG A 312 1588 1791 1385 50 18 371 O ATOM 271 CB ARG A 312 38.772 65.769 41.608 1.00 13.86 C ANISOU 271 CB ARG A 312 1964 1790 1511 9 -145 236 C ATOM 272 CG ARG A 312 39.858 65.259 42.504 1.00 25.71 C ANISOU 272 CG ARG A 312 3503 3281 2984 -15 -220 205 C ATOM 273 CD ARG A 312 40.659 64.160 41.846 1.00 18.44 C ANISOU 273 CD ARG A 312 2487 2369 2149 -97 -255 227 C ATOM 274 NE ARG A 312 41.217 64.472 40.537 1.00 13.50 N ANISOU 274 NE ARG A 312 1798 1713 1618 -173 -277 206 N ATOM 275 CZ ARG A 312 41.515 63.544 39.640 1.00 12.45 C ANISOU 275 CZ ARG A 312 1579 1597 1555 -220 -274 232 C ATOM 276 NH1 ARG A 312 41.353 62.276 39.937 1.00 14.71 N ANISOU 276 NH1 ARG A 312 1847 1904 1838 -209 -258 274 N ATOM 277 NH2 ARG A 312 42.022 63.870 38.450 1.00 13.72 N ANISOU 277 NH2 ARG A 312 1685 1745 1782 -274 -284 217 N ATOM 0 H ARG A 312 37.118 63.636 41.548 1.00 13.09 H new ATOM 0 HA ARG A 312 37.199 65.974 42.903 1.00 13.23 H new ATOM 0 HB2 ARG A 312 38.888 65.367 40.733 1.00 13.86 H new ATOM 0 HB3 ARG A 312 38.893 66.725 41.499 1.00 13.86 H new ATOM 0 HG2 ARG A 312 40.449 65.990 42.745 1.00 25.71 H new ATOM 0 HG3 ARG A 312 39.468 64.926 43.328 1.00 25.71 H new ATOM 0 HD2 ARG A 312 41.387 63.916 42.438 1.00 18.44 H new ATOM 0 HD3 ARG A 312 40.091 63.379 41.758 1.00 18.44 H new ATOM 0 HE ARG A 312 41.359 65.296 40.338 1.00 13.50 H new ATOM 0 HH11 ARG A 312 41.054 62.050 40.711 1.00 14.71 H new ATOM 0 HH12 ARG A 312 41.545 61.671 39.357 1.00 14.71 H new ATOM 0 HH21 ARG A 312 42.161 64.696 38.253 1.00 13.72 H new ATOM 0 HH22 ARG A 312 42.210 63.255 37.879 1.00 13.72 H new ATOM 291 N ARG A 313 36.106 67.324 41.050 1.00 13.70 N ANISOU 291 N ARG A 313 1944 1851 1412 215 20 298 N ATOM 292 CA ARG A 313 35.354 68.007 39.979 1.00 13.76 C ANISOU 292 CA ARG A 313 1910 1879 1440 265 59 324 C ATOM 293 C ARG A 313 36.360 68.764 39.112 1.00 13.41 C ANISOU 293 C ARG A 313 1930 1707 1459 198 -1 277 C ATOM 294 O ARG A 313 37.153 69.566 39.616 1.00 13.89 O ANISOU 294 O ARG A 313 2128 1649 1501 190 -46 213 O ATOM 295 CB ARG A 313 34.312 68.956 40.535 1.00 14.97 C ANISOU 295 CB ARG A 313 2132 2065 1490 444 130 335 C ATOM 296 CG ARG A 313 33.483 69.667 39.432 1.00 15.27 C ANISOU 296 CG ARG A 313 2125 2142 1536 529 170 374 C ATOM 297 CD ARG A 313 32.420 70.597 39.993 1.00 23.11 C ANISOU 297 CD ARG A 313 3185 3180 2415 746 248 390 C ATOM 298 NE ARG A 313 31.504 69.903 40.877 1.00 28.38 N ANISOU 298 NE ARG A 313 3752 4016 3017 807 321 443 N ATOM 299 CZ ARG A 313 31.573 69.907 42.210 1.00 33.09 C ANISOU 299 CZ ARG A 313 4446 4604 3522 872 347 418 C ATOM 300 NH1 ARG A 313 32.525 70.583 42.849 1.00 39.08 N ANISOU 300 NH1 ARG A 313 5412 5193 4242 881 288 323 N ATOM 301 NH2 ARG A 313 30.679 69.216 42.907 1.00 33.11 N ANISOU 301 NH2 ARG A 313 4335 4779 3467 920 431 491 N ATOM 0 H ARG A 313 36.307 67.827 41.718 1.00 13.70 H new ATOM 0 HA ARG A 313 34.874 67.348 39.453 1.00 13.76 H new ATOM 0 HB2 ARG A 313 33.711 68.463 41.116 1.00 14.97 H new ATOM 0 HB3 ARG A 313 34.752 69.625 41.083 1.00 14.97 H new ATOM 0 HG2 ARG A 313 34.081 70.175 38.862 1.00 15.27 H new ATOM 0 HG3 ARG A 313 33.058 68.998 38.873 1.00 15.27 H new ATOM 0 HD2 ARG A 313 32.847 71.322 40.476 1.00 23.11 H new ATOM 0 HD3 ARG A 313 31.923 70.997 39.262 1.00 23.11 H new ATOM 0 HE ARG A 313 30.867 69.454 40.514 1.00 28.38 H new ATOM 0 HH11 ARG A 313 33.110 71.028 42.402 1.00 39.08 H new ATOM 0 HH12 ARG A 313 32.555 70.575 43.708 1.00 39.08 H new ATOM 0 HH21 ARG A 313 30.065 68.773 42.499 1.00 33.11 H new ATOM 0 HH22 ARG A 313 30.714 69.211 43.766 1.00 33.11 H new ATOM 315 N ILE A 314 36.276 68.550 37.815 1.00 12.82 N ANISOU 315 N ILE A 314 1759 1663 1450 148 1 311 N ATOM 316 CA ILE A 314 37.120 69.246 36.849 1.00 12.66 C ANISOU 316 CA ILE A 314 1783 1543 1484 89 -33 294 C ATOM 317 C ILE A 314 36.208 69.962 35.859 1.00 13.08 C ANISOU 317 C ILE A 314 1826 1626 1516 187 16 343 C ATOM 318 O ILE A 314 35.309 69.338 35.318 1.00 13.89 O ANISOU 318 O ILE A 314 1799 1865 1615 215 42 389 O ATOM 319 CB ILE A 314 38.016 68.267 36.127 1.00 13.24 C ANISOU 319 CB ILE A 314 1754 1638 1637 -44 -75 293 C ATOM 320 CG1 ILE A 314 39.048 67.662 37.090 1.00 21.70 C ANISOU 320 CG1 ILE A 314 2843 2681 2722 -117 -130 248 C ATOM 321 CG2 ILE A 314 38.748 68.938 35.007 1.00 16.56 C ANISOU 321 CG2 ILE A 314 2195 1993 2105 -96 -86 297 C ATOM 322 CD1 ILE A 314 38.643 66.335 37.655 1.00 21.80 C ANISOU 322 CD1 ILE A 314 2783 2778 2723 -118 -121 271 C ATOM 0 H ILE A 314 35.725 67.993 37.461 1.00 12.82 H new ATOM 0 HA ILE A 314 37.690 69.886 37.303 1.00 12.66 H new ATOM 0 HB ILE A 314 37.449 67.565 35.771 1.00 13.24 H new ATOM 0 HG12 ILE A 314 39.893 67.561 36.624 1.00 21.70 H new ATOM 0 HG13 ILE A 314 39.199 68.282 37.820 1.00 21.70 H new ATOM 0 HG21 ILE A 314 39.316 68.292 34.559 1.00 16.56 H new ATOM 0 HG22 ILE A 314 38.109 69.301 34.374 1.00 16.56 H new ATOM 0 HG23 ILE A 314 39.294 69.657 35.362 1.00 16.56 H new ATOM 0 HD11 ILE A 314 39.336 66.012 38.252 1.00 21.80 H new ATOM 0 HD12 ILE A 314 37.813 66.432 38.147 1.00 21.80 H new ATOM 0 HD13 ILE A 314 38.517 65.700 36.932 1.00 21.80 H new ATOM 334 N VAL A 315 36.475 71.228 35.569 1.00 13.80 N ANISOU 334 N VAL A 315 2054 1592 1597 229 22 337 N ATOM 335 CA VAL A 315 35.695 71.919 34.534 1.00 14.35 C ANISOU 335 CA VAL A 315 2126 1685 1640 340 67 398 C ATOM 336 C VAL A 315 36.623 72.297 33.410 1.00 14.21 C ANISOU 336 C VAL A 315 2138 1581 1681 245 50 416 C ATOM 337 O VAL A 315 37.612 72.998 33.623 1.00 15.47 O ANISOU 337 O VAL A 315 2424 1582 1873 165 30 386 O ATOM 338 CB VAL A 315 34.976 73.148 35.103 1.00 22.56 C ANISOU 338 CB VAL A 315 3326 2649 2595 521 113 399 C ATOM 339 CG1 VAL A 315 34.127 73.808 34.012 1.00 24.63 C ANISOU 339 CG1 VAL A 315 3585 2956 2819 666 159 476 C ATOM 340 CG2 VAL A 315 34.113 72.731 36.284 1.00 17.60 C ANISOU 340 CG2 VAL A 315 2659 2131 1898 620 143 386 C ATOM 0 H VAL A 315 37.087 71.701 35.946 1.00 13.80 H new ATOM 0 HA VAL A 315 35.004 71.326 34.199 1.00 14.35 H new ATOM 0 HB VAL A 315 35.630 73.795 35.411 1.00 22.56 H new ATOM 0 HG11 VAL A 315 33.675 74.584 34.378 1.00 24.63 H new ATOM 0 HG12 VAL A 315 34.699 74.084 33.279 1.00 24.63 H new ATOM 0 HG13 VAL A 315 33.468 73.175 33.687 1.00 24.63 H new ATOM 0 HG21 VAL A 315 33.658 73.509 36.644 1.00 17.60 H new ATOM 0 HG22 VAL A 315 33.456 72.080 35.991 1.00 17.60 H new ATOM 0 HG23 VAL A 315 34.673 72.338 36.972 1.00 17.60 H new ATOM 350 N ILE A 316 36.319 71.832 32.212 1.00 14.95 N ANISOU 350 N ILE A 316 2113 1785 1782 246 58 467 N ATOM 351 CA ILE A 316 37.145 72.123 31.049 1.00 15.39 C ANISOU 351 CA ILE A 316 2185 1788 1876 172 59 499 C ATOM 352 C ILE A 316 36.347 72.995 30.118 1.00 15.11 C ANISOU 352 C ILE A 316 2199 1763 1777 319 104 575 C ATOM 353 O ILE A 316 35.239 72.667 29.769 1.00 16.03 O ANISOU 353 O ILE A 316 2217 2035 1840 430 110 604 O ATOM 354 CB ILE A 316 37.582 70.844 30.354 1.00 15.10 C ANISOU 354 CB ILE A 316 1990 1867 1879 67 28 490 C ATOM 355 CG1 ILE A 316 38.494 70.021 31.267 1.00 18.60 C ANISOU 355 CG1 ILE A 316 2401 2287 2380 -57 -15 426 C ATOM 356 CG2 ILE A 316 38.258 71.146 29.036 1.00 16.89 C ANISOU 356 CG2 ILE A 316 2223 2079 2118 29 46 537 C ATOM 357 CD1 ILE A 316 38.702 68.614 30.744 1.00 26.86 C ANISOU 357 CD1 ILE A 316 3309 3444 3453 -122 -40 410 C ATOM 0 H ILE A 316 35.632 71.341 32.047 1.00 14.95 H new ATOM 0 HA ILE A 316 37.953 72.584 31.325 1.00 15.39 H new ATOM 0 HB ILE A 316 36.791 70.316 30.163 1.00 15.10 H new ATOM 0 HG12 ILE A 316 39.353 70.465 31.350 1.00 18.60 H new ATOM 0 HG13 ILE A 316 38.109 69.981 32.156 1.00 18.60 H new ATOM 0 HG21 ILE A 316 38.527 70.316 28.612 1.00 16.89 H new ATOM 0 HG22 ILE A 316 37.641 71.619 28.456 1.00 16.89 H new ATOM 0 HG23 ILE A 316 39.041 71.697 29.192 1.00 16.89 H new ATOM 0 HD11 ILE A 316 39.283 68.127 31.348 1.00 26.86 H new ATOM 0 HD12 ILE A 316 37.846 68.161 30.684 1.00 26.86 H new ATOM 0 HD13 ILE A 316 39.110 68.652 29.865 1.00 26.86 H new ATOM 369 N HIS A 317 36.932 74.109 29.688 1.00 15.69 N ANISOU 369 N HIS A 317 2426 1678 1858 314 133 615 N ATOM 370 CA HIS A 317 36.267 74.986 28.741 1.00 18.13 C ANISOU 370 CA HIS A 317 2809 1980 2099 468 181 704 C ATOM 371 C HIS A 317 36.929 74.795 27.400 1.00 23.12 C ANISOU 371 C HIS A 317 3390 2648 2746 391 192 762 C ATOM 372 O HIS A 317 38.089 75.171 27.229 1.00 27.58 O ANISOU 372 O HIS A 317 4027 3082 3371 254 207 774 O ATOM 373 CB HIS A 317 36.353 76.441 29.190 1.00 38.05 C ANISOU 373 CB HIS A 317 5579 4271 4605 539 221 723 C ATOM 374 CG HIS A 317 35.892 76.648 30.595 1.00 36.45 C ANISOU 374 CG HIS A 317 5452 4016 4379 610 211 649 C ATOM 375 ND1 HIS A 317 34.553 76.735 30.925 1.00 46.78 N ANISOU 375 ND1 HIS A 317 6737 5439 5599 829 237 664 N ATOM 376 CD2 HIS A 317 36.571 76.744 31.753 1.00 33.07 C ANISOU 376 CD2 HIS A 317 5113 3463 3992 502 177 559 C ATOM 377 CE1 HIS A 317 34.435 76.888 32.229 1.00 46.65 C ANISOU 377 CE1 HIS A 317 6802 5360 5565 859 233 590 C ATOM 378 NE2 HIS A 317 35.655 76.906 32.761 1.00 41.36 N ANISOU 378 NE2 HIS A 317 6211 4536 4968 662 190 521 N ATOM 0 H HIS A 317 37.713 74.372 29.934 1.00 15.69 H new ATOM 0 HA HIS A 317 35.324 74.765 28.684 1.00 18.13 H new ATOM 0 HB2 HIS A 317 37.270 76.746 29.108 1.00 38.05 H new ATOM 0 HB3 HIS A 317 35.818 76.990 28.595 1.00 38.05 H new ATOM 0 HD2 HIS A 317 37.495 76.707 31.852 1.00 33.07 H new ATOM 0 HE1 HIS A 317 33.636 76.969 32.697 1.00 46.65 H new ATOM 0 HE2 HIS A 317 35.838 77.003 33.596 1.00 41.36 H new ATOM 386 N ARG A 318 36.243 74.154 26.455 1.00 19.55 N ANISOU 386 N ARG A 318 2802 2391 2237 467 181 793 N ATOM 387 CA ARG A 318 36.917 73.804 25.206 1.00 16.58 C ANISOU 387 CA ARG A 318 2370 2071 1857 398 189 832 C ATOM 388 C ARG A 318 36.258 74.369 23.968 1.00 22.85 C ANISOU 388 C ARG A 318 3196 2940 2547 559 220 931 C ATOM 389 O ARG A 318 36.671 74.064 22.848 1.00 26.12 O ANISOU 389 O ARG A 318 3565 3432 2929 534 229 968 O ATOM 390 CB ARG A 318 37.042 72.282 25.062 1.00 15.77 C ANISOU 390 CB ARG A 318 2082 2131 1778 303 132 757 C ATOM 391 CG ARG A 318 35.768 71.488 25.312 1.00 19.76 C ANISOU 391 CG ARG A 318 2457 2807 2244 377 83 715 C ATOM 392 CD ARG A 318 34.829 71.502 24.163 1.00 18.14 C ANISOU 392 CD ARG A 318 2189 2768 1937 507 70 762 C ATOM 393 NE ARG A 318 33.733 70.565 24.409 1.00 18.61 N ANISOU 393 NE ARG A 318 2087 3007 1977 520 11 710 N ATOM 394 CZ ARG A 318 33.679 69.305 23.980 1.00 16.89 C ANISOU 394 CZ ARG A 318 1743 2909 1766 423 -49 644 C ATOM 395 NH1 ARG A 318 34.632 68.808 23.212 1.00 15.74 N ANISOU 395 NH1 ARG A 318 1611 2741 1629 341 -56 620 N ATOM 396 NH2 ARG A 318 32.642 68.534 24.297 1.00 15.32 N ANISOU 396 NH2 ARG A 318 1404 2855 1562 410 -98 604 N ATOM 0 H ARG A 318 35.417 73.920 26.512 1.00 19.55 H new ATOM 0 HA ARG A 318 37.795 74.212 25.269 1.00 16.58 H new ATOM 0 HB2 ARG A 318 37.357 72.083 24.166 1.00 15.77 H new ATOM 0 HB3 ARG A 318 37.724 71.970 25.678 1.00 15.77 H new ATOM 0 HG2 ARG A 318 36.003 70.570 25.518 1.00 19.76 H new ATOM 0 HG3 ARG A 318 35.319 71.848 26.093 1.00 19.76 H new ATOM 0 HD2 ARG A 318 34.478 72.397 24.032 1.00 18.14 H new ATOM 0 HD3 ARG A 318 35.297 71.259 23.349 1.00 18.14 H new ATOM 0 HE ARG A 318 33.066 70.852 24.870 1.00 18.61 H new ATOM 0 HH11 ARG A 318 35.299 69.300 22.982 1.00 15.74 H new ATOM 0 HH12 ARG A 318 34.585 67.993 22.942 1.00 15.74 H new ATOM 0 HH21 ARG A 318 32.004 68.849 24.780 1.00 15.32 H new ATOM 0 HH22 ARG A 318 32.610 67.721 24.019 1.00 15.32 H new ATOM 410 N GLY A 319 35.240 75.198 24.142 1.00 21.24 N ANISOU 410 N GLY A 319 3072 2723 2276 745 239 979 N ATOM 411 CA GLY A 319 34.556 75.745 22.981 1.00 24.94 C ANISOU 411 CA GLY A 319 3569 3280 2628 930 262 1082 C ATOM 412 C GLY A 319 34.080 74.650 22.033 1.00 23.29 C ANISOU 412 C GLY A 319 3159 3335 2353 942 200 1058 C ATOM 413 O GLY A 319 33.327 73.765 22.454 1.00 29.60 O ANISOU 413 O GLY A 319 3797 4294 3156 936 137 982 O ATOM 0 H GLY A 319 34.935 75.452 24.905 1.00 21.24 H new ATOM 0 HA2 GLY A 319 33.796 76.273 23.273 1.00 24.94 H new ATOM 0 HA3 GLY A 319 35.153 76.345 22.507 1.00 24.94 H new ATOM 417 N SER A 320 34.518 74.712 20.773 1.00 21.85 N ANISOU 417 N SER A 320 2997 3195 2109 953 220 1123 N ATOM 418 CA SER A 320 34.176 73.696 19.753 1.00 19.85 C ANISOU 418 CA SER A 320 2584 3182 1777 963 154 1088 C ATOM 419 C SER A 320 35.399 72.973 19.168 1.00 19.14 C ANISOU 419 C SER A 320 2469 3082 1720 801 166 1055 C ATOM 420 O SER A 320 35.543 72.837 17.944 1.00 19.85 O ANISOU 420 O SER A 320 2553 3281 1710 853 170 1095 O ATOM 421 CB SER A 320 33.371 74.327 18.633 1.00 24.95 C ANISOU 421 CB SER A 320 3245 3928 2308 1137 161 1133 C ATOM 422 OG SER A 320 32.106 74.763 19.118 1.00 25.94 O ANISOU 422 OG SER A 320 3333 4113 2410 1276 145 1117 O ATOM 0 H SER A 320 35.023 75.343 20.479 1.00 21.85 H new ATOM 0 HA SER A 320 33.648 73.023 20.210 1.00 19.85 H new ATOM 0 HB2 SER A 320 33.858 75.079 18.260 1.00 24.95 H new ATOM 0 HB3 SER A 320 33.246 73.686 17.916 1.00 24.95 H new ATOM 0 HG SER A 320 32.205 75.465 19.569 1.00 25.94 H new ATOM 428 N ATHR A 321 36.273 72.529 20.065 0.51 17.91 N ANISOU 428 N ATHR A 321 2302 2808 1694 624 172 984 N ATOM 429 N BTHR A 321 36.284 72.527 20.049 0.49 17.91 N ANISOU 429 N BTHR A 321 2303 2809 1694 624 172 985 N ATOM 430 CA ATHR A 321 37.401 71.663 19.720 0.51 17.20 C ANISOU 430 CA ATHR A 321 2157 2730 1646 480 175 934 C ATOM 431 CA BTHR A 321 37.358 71.620 19.654 0.49 17.22 C ANISOU 431 CA BTHR A 321 2155 2746 1642 486 172 933 C ATOM 432 C ATHR A 321 37.292 70.394 20.563 0.51 15.86 C ANISOU 432 C ATHR A 321 1867 2606 1552 374 100 801 C ATOM 433 C BTHR A 321 37.308 70.403 20.568 0.49 15.86 C ANISOU 433 C BTHR A 321 1868 2604 1553 373 101 801 C ATOM 434 O ATHR A 321 36.504 70.353 21.501 0.51 17.67 O ANISOU 434 O ATHR A 321 2068 2831 1816 387 64 765 O ATOM 435 O BTHR A 321 36.590 70.412 21.563 0.49 17.35 O ANISOU 435 O BTHR A 321 2037 2774 1783 381 69 767 O ATOM 436 CB ATHR A 321 38.763 72.339 20.000 0.51 24.82 C ANISOU 436 CB ATHR A 321 3220 3511 2700 361 260 990 C ATOM 437 CB BTHR A 321 38.749 72.278 19.747 0.49 25.02 C ANISOU 437 CB BTHR A 321 3238 3564 2704 375 261 996 C ATOM 438 OG1ATHR A 321 38.917 72.536 21.413 0.51 29.83 O ANISOU 438 OG1ATHR A 321 3882 4004 3446 273 245 939 O ATOM 439 OG1BTHR A 321 39.723 71.404 19.177 0.49 27.46 O ANISOU 439 OG1BTHR A 321 3469 3945 3018 288 271 961 O ATOM 440 CG2ATHR A 321 38.838 73.683 19.311 0.51 22.33 C ANISOU 440 CG2ATHR A 321 3054 3105 2324 447 346 1137 C ATOM 441 CG2BTHR A 321 39.120 72.564 21.196 0.49 28.37 C ANISOU 441 CG2BTHR A 321 3701 3820 3257 264 257 953 C ATOM 0 H ATHR A 321 36.229 72.723 20.902 0.51 17.91 H new ATOM 0 H BTHR A 321 36.282 72.737 20.883 0.49 17.91 H new ATOM 0 HA ATHR A 321 37.363 71.469 18.770 0.51 17.22 H new ATOM 0 HA BTHR A 321 37.224 71.372 18.726 0.49 17.22 H new ATOM 0 HB ATHR A 321 39.468 71.766 19.661 0.51 25.02 H new ATOM 0 HB BTHR A 321 38.726 73.118 19.262 0.49 25.02 H new ATOM 0 HG1ATHR A 321 38.238 72.925 21.717 0.51 27.46 H new ATOM 0 HG1BTHR A 321 40.482 71.761 19.225 0.49 27.46 H new ATOM 0 HG21ATHR A 321 39.697 74.094 19.496 0.51 28.37 H new ATOM 0 HG21BTHR A 321 39.997 72.977 21.230 0.49 28.37 H new ATOM 0 HG22ATHR A 321 38.737 73.562 18.354 0.51 28.37 H new ATOM 0 HG22BTHR A 321 38.465 73.164 21.586 0.49 28.37 H new ATOM 0 HG23ATHR A 321 38.128 74.256 19.641 0.51 28.37 H new ATOM 0 HG23BTHR A 321 39.135 71.733 21.697 0.49 28.37 H new ATOM 456 N GLY A 322 38.090 69.391 20.241 1.00 15.32 N ANISOU 456 N GLY A 322 1740 2577 1505 281 86 737 N ATOM 457 CA GLY A 322 38.176 68.188 21.052 1.00 14.24 C ANISOU 457 CA GLY A 322 1521 2444 1445 177 27 624 C ATOM 458 C GLY A 322 38.712 68.430 22.452 1.00 14.07 C ANISOU 458 C GLY A 322 1529 2275 1541 86 43 612 C ATOM 459 O GLY A 322 39.414 69.383 22.693 1.00 16.17 O ANISOU 459 O GLY A 322 1874 2425 1844 60 99 673 O ATOM 0 H AGLY A 322 38.598 69.387 19.547 0.51 15.32 H new ATOM 0 H BGLY A 322 38.589 69.380 19.540 0.49 15.32 H new ATOM 0 HA2 GLY A 322 37.295 67.788 21.117 1.00 14.24 H new ATOM 0 HA3 GLY A 322 38.747 67.545 20.603 1.00 14.24 H new ATOM 463 N LEU A 323 38.388 67.559 23.394 1.00 13.22 N ANISOU 463 N LEU A 323 1365 2170 1488 29 -8 534 N ATOM 464 CA LEU A 323 38.858 67.744 24.763 1.00 12.12 C ANISOU 464 CA LEU A 323 1258 1908 1438 -42 -2 517 C ATOM 465 C LEU A 323 40.345 67.437 24.904 1.00 11.82 C ANISOU 465 C LEU A 323 1218 1810 1463 -138 14 500 C ATOM 466 O LEU A 323 41.021 67.926 25.814 1.00 14.65 O ANISOU 466 O LEU A 323 1615 2067 1884 -200 23 503 O ATOM 467 CB LEU A 323 38.058 66.857 25.706 1.00 11.58 C ANISOU 467 CB LEU A 323 1131 1874 1395 -65 -52 455 C ATOM 468 CG LEU A 323 36.627 67.289 25.938 1.00 12.60 C ANISOU 468 CG LEU A 323 1239 2070 1477 24 -58 481 C ATOM 469 CD1 LEU A 323 35.744 66.088 26.214 1.00 15.41 C ANISOU 469 CD1 LEU A 323 1489 2527 1838 -18 -108 427 C ATOM 470 CD2 LEU A 323 36.565 68.270 27.081 1.00 17.61 C ANISOU 470 CD2 LEU A 323 1958 2598 2135 59 -25 507 C ATOM 0 H LEU A 323 37.903 66.860 23.267 1.00 13.22 H new ATOM 0 HA LEU A 323 38.728 68.677 24.995 1.00 12.12 H new ATOM 0 HB2 LEU A 323 38.055 65.954 25.352 1.00 11.58 H new ATOM 0 HB3 LEU A 323 38.514 66.825 26.562 1.00 11.58 H new ATOM 0 HG LEU A 323 36.298 67.724 25.136 1.00 12.60 H new ATOM 0 HD11 LEU A 323 34.832 66.384 26.360 1.00 15.41 H new ATOM 0 HD12 LEU A 323 35.770 65.485 25.454 1.00 15.41 H new ATOM 0 HD13 LEU A 323 36.064 65.626 27.004 1.00 15.41 H new ATOM 0 HD21 LEU A 323 35.645 68.543 27.224 1.00 17.61 H new ATOM 0 HD22 LEU A 323 36.907 67.851 27.886 1.00 17.61 H new ATOM 0 HD23 LEU A 323 37.103 69.049 26.869 1.00 17.61 H new ATOM 482 N GLY A 324 40.866 66.593 24.025 1.00 11.86 N ANISOU 482 N GLY A 324 1173 1890 1444 -145 12 475 N ATOM 483 CA GLY A 324 42.284 66.288 24.063 1.00 11.85 C ANISOU 483 CA GLY A 324 1145 1867 1490 -209 36 468 C ATOM 484 C GLY A 324 42.690 65.180 25.015 1.00 11.20 C ANISOU 484 C GLY A 324 1024 1766 1466 -257 -10 393 C ATOM 485 O GLY A 324 43.736 65.252 25.679 1.00 11.19 O ANISOU 485 O GLY A 324 1003 1724 1523 -313 -6 394 O ATOM 0 H GLY A 324 40.422 66.192 23.407 1.00 11.86 H new ATOM 0 HA2 GLY A 324 42.570 66.045 23.169 1.00 11.85 H new ATOM 0 HA3 GLY A 324 42.766 67.094 24.306 1.00 11.85 H new ATOM 489 N PHE A 325 41.886 64.126 25.064 1.00 10.89 N ANISOU 489 N PHE A 325 970 1759 1408 -238 -58 332 N ATOM 490 CA PHE A 325 42.311 62.924 25.787 1.00 10.54 C ANISOU 490 CA PHE A 325 911 1687 1407 -268 -93 271 C ATOM 491 C PHE A 325 41.633 61.708 25.204 1.00 10.73 C ANISOU 491 C PHE A 325 937 1747 1393 -251 -130 206 C ATOM 492 O PHE A 325 40.650 61.815 24.448 1.00 11.05 O ANISOU 492 O PHE A 325 973 1849 1378 -231 -147 200 O ATOM 493 CB PHE A 325 42.093 63.022 27.324 1.00 10.53 C ANISOU 493 CB PHE A 325 927 1612 1460 -309 -117 270 C ATOM 494 CG PHE A 325 40.666 63.131 27.795 1.00 9.92 C ANISOU 494 CG PHE A 325 861 1539 1369 -304 -134 272 C ATOM 495 CD1 PHE A 325 39.925 62.006 28.082 1.00 10.70 C ANISOU 495 CD1 PHE A 325 947 1648 1472 -327 -165 235 C ATOM 496 CD2 PHE A 325 40.091 64.372 28.034 1.00 10.15 C ANISOU 496 CD2 PHE A 325 916 1557 1382 -276 -112 318 C ATOM 497 CE1 PHE A 325 38.633 62.104 28.542 1.00 14.12 C ANISOU 497 CE1 PHE A 325 1359 2111 1893 -332 -170 249 C ATOM 498 CE2 PHE A 325 38.820 64.466 28.521 1.00 10.10 C ANISOU 498 CE2 PHE A 325 901 1580 1356 -250 -118 327 C ATOM 499 CZ PHE A 325 38.079 63.354 28.765 1.00 10.10 C ANISOU 499 CZ PHE A 325 856 1621 1361 -282 -144 296 C ATOM 0 H PHE A 325 41.109 64.080 24.697 1.00 10.89 H new ATOM 0 HA PHE A 325 43.270 62.839 25.669 1.00 10.54 H new ATOM 0 HB2 PHE A 325 42.490 62.240 27.737 1.00 10.53 H new ATOM 0 HB3 PHE A 325 42.581 63.794 27.651 1.00 10.53 H new ATOM 0 HD1 PHE A 325 40.305 61.166 27.963 1.00 10.70 H new ATOM 0 HD2 PHE A 325 40.577 65.146 27.861 1.00 10.15 H new ATOM 0 HE1 PHE A 325 38.134 61.336 28.702 1.00 14.12 H new ATOM 0 HE2 PHE A 325 38.455 65.305 28.689 1.00 10.10 H new ATOM 0 HZ PHE A 325 37.207 63.431 29.079 1.00 10.10 H new ATOM 509 N AASN A 326 42.195 60.539 25.506 0.47 10.76 N ANISOU 509 N AASN A 326 955 1713 1421 -257 -149 154 N ATOM 510 N BASN A 326 42.192 60.555 25.545 0.53 10.75 N ANISOU 510 N BASN A 326 952 1710 1421 -258 -149 155 N ATOM 511 CA AASN A 326 41.683 59.252 25.044 0.47 11.21 C ANISOU 511 CA AASN A 326 1046 1762 1452 -258 -190 78 C ATOM 512 CA BASN A 326 41.686 59.266 25.125 0.53 11.18 C ANISOU 512 CA BASN A 326 1041 1754 1452 -261 -190 81 C ATOM 513 C AASN A 326 41.072 58.537 26.234 0.47 11.01 C ANISOU 513 C AASN A 326 1043 1657 1482 -322 -223 65 C ATOM 514 C BASN A 326 41.023 58.578 26.285 0.53 11.17 C ANISOU 514 C BASN A 326 1063 1678 1504 -325 -223 68 C ATOM 515 O AASN A 326 41.560 58.673 27.356 0.47 10.58 O ANISOU 515 O AASN A 326 992 1554 1475 -329 -211 99 O ATOM 516 O BASN A 326 41.443 58.742 27.433 0.53 10.54 O ANISOU 516 O BASN A 326 985 1549 1472 -335 -212 103 O ATOM 517 CB AASN A 326 42.787 58.374 24.441 0.47 11.78 C ANISOU 517 CB AASN A 326 1149 1828 1499 -194 -177 31 C ATOM 518 CB BASN A 326 42.790 58.357 24.638 0.53 11.70 C ANISOU 518 CB BASN A 326 1139 1807 1500 -201 -179 35 C ATOM 519 CG AASN A 326 42.690 58.228 22.921 0.47 12.60 C ANISOU 519 CG AASN A 326 1271 2010 1508 -136 -174 -11 C ATOM 520 CG BASN A 326 43.367 58.774 23.329 0.53 14.35 C ANISOU 520 CG BASN A 326 1456 2235 1762 -128 -137 42 C ATOM 521 OD1AASN A 326 42.744 57.113 22.383 0.47 14.33 O ANISOU 521 OD1AASN A 326 1556 2203 1687 -103 -200 -96 O ATOM 522 OD1BASN A 326 43.166 59.892 22.850 0.53 18.26 O ANISOU 522 OD1BASN A 326 1916 2794 2229 -127 -108 101 O ATOM 523 ND2AASN A 326 42.585 59.341 22.228 0.47 12.59 N ANISOU 523 ND2AASN A 326 1229 2096 1460 -113 -140 46 N ATOM 524 ND2BASN A 326 44.103 57.857 22.733 0.53 16.54 N ANISOU 524 ND2BASN A 326 1770 2517 1999 -53 -127 -14 N ATOM 0 H AASN A 326 42.899 60.472 25.995 0.47 10.75 H new ATOM 0 H BASN A 326 42.894 60.503 26.040 0.53 10.75 H new ATOM 0 HA AASN A 326 41.027 59.412 24.348 0.47 11.18 H new ATOM 0 HA BASN A 326 41.061 59.431 24.402 0.53 11.18 H new ATOM 0 HB2AASN A 326 43.651 58.752 24.668 0.47 11.70 H new ATOM 0 HB2BASN A 326 43.497 58.333 25.302 0.53 11.70 H new ATOM 0 HB3AASN A 326 42.748 57.494 24.846 0.47 11.70 H new ATOM 0 HB3BASN A 326 42.445 57.454 24.559 0.53 11.70 H new ATOM 0 HD21AASN A 326 42.551 59.311 21.369 0.47 16.54 H new ATOM 0 HD21BASN A 326 44.469 58.026 21.974 0.53 16.54 H new ATOM 0 HD22AASN A 326 42.550 60.098 22.634 0.47 16.54 H new ATOM 0 HD22BASN A 326 44.217 57.089 23.104 0.53 16.54 H new ATOM 537 N ILE A 327 39.995 57.793 25.972 1.00 11.51 N ANISOU 537 N ILE A 327 1121 1718 1533 -376 -264 19 N ATOM 538 CA ILE A 327 39.368 56.943 26.965 1.00 11.68 C ANISOU 538 CA ILE A 327 1170 1662 1605 -455 -284 14 C ATOM 539 C ILE A 327 39.456 55.490 26.514 1.00 13.20 C ANISOU 539 C ILE A 327 1451 1770 1795 -482 -319 -67 C ATOM 540 O ILE A 327 39.472 55.185 25.329 1.00 13.27 O ANISOU 540 O ILE A 327 1484 1809 1749 -460 -346 -136 O ATOM 541 CB ILE A 327 37.910 57.329 27.186 1.00 11.84 C ANISOU 541 CB ILE A 327 1119 1753 1626 -525 -299 41 C ATOM 542 CG1 ILE A 327 37.102 57.254 25.906 1.00 12.63 C ANISOU 542 CG1 ILE A 327 1180 1948 1669 -545 -346 -11 C ATOM 543 CG2 ILE A 327 37.839 58.721 27.778 1.00 12.02 C ANISOU 543 CG2 ILE A 327 1092 1827 1647 -475 -258 117 C ATOM 544 CD1 ILE A 327 35.626 57.406 26.119 1.00 13.17 C ANISOU 544 CD1 ILE A 327 1154 2111 1740 -620 -370 11 C ATOM 0 H AILE A 327 39.610 57.773 25.203 0.47 11.51 H new ATOM 0 H BILE A 327 39.648 57.742 25.187 0.53 11.51 H new ATOM 0 HA ILE A 327 39.837 57.058 27.806 1.00 11.68 H new ATOM 0 HB ILE A 327 37.521 56.692 27.805 1.00 11.84 H new ATOM 0 HG12 ILE A 327 37.407 57.947 25.299 1.00 12.63 H new ATOM 0 HG13 ILE A 327 37.273 56.403 25.474 1.00 12.63 H new ATOM 0 HG21 ILE A 327 36.911 58.966 27.918 1.00 12.02 H new ATOM 0 HG22 ILE A 327 38.309 58.736 28.626 1.00 12.02 H new ATOM 0 HG23 ILE A 327 38.251 59.353 27.169 1.00 12.02 H new ATOM 0 HD11 ILE A 327 35.168 57.349 25.266 1.00 13.17 H new ATOM 0 HD12 ILE A 327 35.309 56.700 26.703 1.00 13.17 H new ATOM 0 HD13 ILE A 327 35.445 58.268 26.526 1.00 13.17 H new ATOM 556 N AVAL A 328 39.511 54.577 27.491 0.77 12.89 N ANISOU 556 N AVAL A 328 1479 1612 1807 -523 -318 -59 N ATOM 557 N BVAL A 328 39.497 54.603 27.506 0.23 12.87 N ANISOU 557 N BVAL A 328 1474 1611 1805 -523 -317 -57 N ATOM 558 CA AVAL A 328 39.467 53.165 27.216 0.77 14.05 C ANISOU 558 CA AVAL A 328 1743 1636 1961 -561 -349 -130 C ATOM 559 CA BVAL A 328 39.476 53.183 27.262 0.23 14.02 C ANISOU 559 CA BVAL A 328 1737 1632 1958 -561 -347 -127 C ATOM 560 C AVAL A 328 38.358 52.563 28.074 0.77 14.66 C ANISOU 560 C AVAL A 328 1830 1646 2092 -706 -357 -100 C ATOM 561 C BVAL A 328 38.368 52.570 28.103 0.23 14.64 C ANISOU 561 C BVAL A 328 1828 1643 2091 -705 -356 -98 C ATOM 562 O AVAL A 328 38.072 53.039 29.166 0.77 14.08 O ANISOU 562 O AVAL A 328 1704 1597 2049 -726 -322 -14 O ATOM 563 O BVAL A 328 38.073 53.031 29.204 0.23 14.08 O ANISOU 563 O BVAL A 328 1704 1594 2050 -726 -321 -12 O ATOM 564 CB AVAL A 328 40.831 52.486 27.499 0.77 14.24 C ANISOU 564 CB AVAL A 328 1868 1557 1985 -443 -325 -138 C ATOM 565 CB BVAL A 328 40.831 52.543 27.577 0.23 14.17 C ANISOU 565 CB BVAL A 328 1853 1551 1979 -444 -323 -131 C ATOM 566 CG1AVAL A 328 41.875 53.038 26.597 0.77 23.86 C ANISOU 566 CG1AVAL A 328 3050 2867 3149 -313 -306 -160 C ATOM 567 CG1BVAL A 328 40.769 51.062 27.327 0.23 15.61 C ANISOU 567 CG1BVAL A 328 2195 1572 2165 -466 -350 -204 C ATOM 568 CG2AVAL A 328 41.249 52.705 28.938 0.77 13.61 C ANISOU 568 CG2AVAL A 328 1775 1448 1947 -419 -293 -47 C ATOM 569 CG2BVAL A 328 41.908 53.169 26.727 0.23 17.12 C ANISOU 569 CG2BVAL A 328 2184 2022 2300 -313 -301 -147 C ATOM 0 H AVAL A 328 39.575 54.773 28.326 0.77 12.87 H new ATOM 0 H BVAL A 328 39.538 54.818 28.338 0.23 12.87 H new ATOM 0 HA AVAL A 328 39.282 53.016 26.276 0.77 14.02 H new ATOM 0 HA BVAL A 328 39.303 53.017 26.322 0.23 14.02 H new ATOM 0 HB AVAL A 328 40.733 51.534 27.339 0.77 14.17 H new ATOM 0 HB BVAL A 328 41.043 52.695 28.511 0.23 14.17 H new ATOM 0 HG11AVAL A 328 42.724 52.607 26.782 0.77 15.61 H new ATOM 0 HG11BVAL A 328 41.630 50.663 27.528 0.23 15.61 H new ATOM 0 HG12AVAL A 328 41.625 52.875 25.674 0.77 15.61 H new ATOM 0 HG12BVAL A 328 40.089 50.666 27.894 0.23 15.61 H new ATOM 0 HG13AVAL A 328 41.959 53.993 26.745 0.77 15.61 H new ATOM 0 HG13BVAL A 328 40.548 50.900 26.397 0.23 15.61 H new ATOM 0 HG21AVAL A 328 42.103 52.274 29.096 0.77 17.12 H new ATOM 0 HG21BVAL A 328 42.762 52.758 26.933 0.23 17.12 H new ATOM 0 HG22AVAL A 328 41.331 53.656 29.110 0.77 17.12 H new ATOM 0 HG22BVAL A 328 41.701 53.032 25.789 0.23 17.12 H new ATOM 0 HG23AVAL A 328 40.581 52.326 29.530 0.77 17.12 H new ATOM 0 HG23BVAL A 328 41.954 54.120 26.912 0.23 17.12 H new ATOM 588 N AGLY A 329 37.733 51.523 27.564 0.77 16.02 N ANISOU 588 N AGLY A 329 2077 1738 2273 -813 -403 -172 N ATOM 589 N BGLY A 329 37.753 51.531 27.565 0.23 16.01 N ANISOU 589 N BGLY A 329 2075 1737 2271 -810 -402 -172 N ATOM 590 CA AGLY A 329 36.805 50.750 28.364 0.77 17.01 C ANISOU 590 CA AGLY A 329 2229 1775 2461 -972 -402 -137 C ATOM 591 CA BGLY A 329 36.733 50.794 28.277 0.23 17.03 C ANISOU 591 CA BGLY A 329 2221 1789 2460 -977 -406 -142 C ATOM 592 C AGLY A 329 36.429 49.498 27.614 0.77 21.73 C ANISOU 592 C AGLY A 329 2950 2242 3065 -1086 -463 -243 C ATOM 593 C BGLY A 329 36.213 49.708 27.369 0.23 24.93 C ANISOU 593 C BGLY A 329 3315 2698 3460 -1100 -476 -254 C ATOM 594 O AGLY A 329 37.229 48.967 26.848 0.77 20.21 O ANISOU 594 O AGLY A 329 2886 1963 2832 -994 -487 -333 O ATOM 595 O BGLY A 329 36.698 49.550 26.252 0.23 19.13 O ANISOU 595 O BGLY A 329 2642 1961 2665 -1026 -518 -357 O ATOM 0 H AGLY A 329 37.831 51.246 26.756 0.77 16.01 H new ATOM 0 H BGLY A 329 37.917 51.234 26.775 0.23 16.01 H new ATOM 0 HA2AGLY A 329 37.208 50.521 29.216 0.77 17.03 H new ATOM 0 HA2BGLY A 329 37.099 50.409 29.089 0.23 17.03 H new ATOM 0 HA3AGLY A 329 36.012 51.275 28.557 0.77 17.03 H new ATOM 0 HA3BGLY A 329 36.012 51.386 28.543 0.23 17.03 H new ATOM 602 N ATHR A 330 35.205 49.037 27.829 0.77 34.78 N ANISOU 602 N ATHR A 330 4557 3892 4765 -1267 -478 -234 N ATOM 603 N BTHR A 330 35.225 48.962 27.839 0.23 32.85 N ANISOU 603 N BTHR A 330 4324 3635 4523 -1269 -478 -236 N ATOM 604 CA ATHR A 330 34.644 47.937 27.042 0.77 37.63 C ANISOU 604 CA ATHR A 330 4997 4163 5138 -1366 -531 -344 C ATOM 605 CA BTHR A 330 34.641 47.901 27.031 0.23 39.83 C ANISOU 605 CA BTHR A 330 5280 4436 5417 -1368 -532 -347 C ATOM 606 C ATHR A 330 33.254 48.317 26.532 0.77 48.84 C ANISOU 606 C ATHR A 330 6224 5773 6562 -1456 -566 -362 C ATOM 607 C BTHR A 330 33.273 48.320 26.514 0.23 45.92 C ANISOU 607 C BTHR A 330 5855 5401 6189 -1454 -567 -364 C ATOM 608 O ATHR A 330 32.716 49.367 26.890 0.77 37.28 O ANISOU 608 O ATHR A 330 4584 4489 5090 -1424 -534 -280 O ATOM 609 O BTHR A 330 32.774 49.396 26.846 0.23 41.68 O ANISOU 609 O BTHR A 330 5145 5047 5643 -1418 -536 -283 O ATOM 610 CB ATHR A 330 34.558 46.654 27.872 0.77 39.40 C ANISOU 610 CB ATHR A 330 5365 4170 5437 -1441 -486 -310 C ATOM 611 CB BTHR A 330 34.508 46.593 27.824 0.23 39.32 C ANISOU 611 CB BTHR A 330 5356 4156 5427 -1448 -489 -317 C ATOM 612 OG1ATHR A 330 33.620 46.840 28.932 0.77 34.35 O ANISOU 612 OG1ATHR A 330 4590 3606 4854 -1519 -419 -190 O ATOM 613 OG1BTHR A 330 33.804 45.628 27.036 0.23 42.49 O ANISOU 613 OG1BTHR A 330 5806 4488 5851 -1567 -548 -425 O ATOM 614 CG2ATHR A 330 35.916 46.333 28.469 0.77 36.11 C ANISOU 614 CG2ATHR A 330 5138 3574 5009 -1314 -450 -273 C ATOM 615 CG2BTHR A 330 33.761 46.826 29.126 0.23 37.59 C ANISOU 615 CG2BTHR A 330 5018 3998 5267 -1506 -407 -173 C ATOM 0 H ATHR A 330 34.675 49.348 28.431 0.77 32.85 H new ATOM 0 H BTHR A 330 34.878 49.052 28.621 0.23 32.85 H new ATOM 0 HA ATHR A 330 35.232 47.774 26.288 0.77 39.83 H new ATOM 0 HA BTHR A 330 35.239 47.745 26.283 0.23 39.83 H new ATOM 0 HB ATHR A 330 34.275 45.924 27.300 0.77 39.32 H new ATOM 0 HB BTHR A 330 35.397 46.265 28.032 0.23 39.32 H new ATOM 0 HG1ATHR A 330 33.570 46.137 29.388 0.77 42.49 H new ATOM 0 HG1BTHR A 330 34.237 45.469 26.334 0.23 42.49 H new ATOM 0 HG21ATHR A 330 35.855 45.519 28.994 0.77 37.59 H new ATOM 0 HG21BTHR A 330 33.688 45.989 29.611 0.23 37.59 H new ATOM 0 HG22ATHR A 330 36.562 46.210 27.756 0.77 37.59 H new ATOM 0 HG22BTHR A 330 34.244 47.471 29.666 0.23 37.59 H new ATOM 0 HG23ATHR A 330 36.200 47.064 29.039 0.77 37.59 H new ATOM 0 HG23BTHR A 330 32.873 47.167 28.934 0.23 37.59 H new ATOM 630 N GLU A 331 32.681 47.476 25.669 1.00 51.61 N ANISOU 630 N GLU A 331 6615 6077 6919 -1554 -637 -473 N ATOM 631 CA GLU A 331 31.332 47.851 25.273 1.00 67.65 C ANISOU 631 CA GLU A 331 8464 8283 8956 -1641 -688 -492 C ATOM 632 C GLU A 331 30.265 47.285 26.203 1.00 59.31 C ANISOU 632 C GLU A 331 7338 7198 8000 -1788 -640 -414 C ATOM 633 O GLU A 331 29.112 47.359 25.915 1.00 61.24 O ANISOU 633 O GLU A 331 7446 7556 8267 -1891 -686 -434 O ATOM 634 CB GLU A 331 31.021 47.544 23.807 1.00 71.37 C ANISOU 634 CB GLU A 331 8994 8746 9375 -1677 -806 -658 C ATOM 635 CG GLU A 331 30.601 48.792 22.999 1.00 76.87 C ANISOU 635 CG GLU A 331 9519 9695 9993 -1628 -880 -685 C ATOM 636 CD GLU A 331 31.557 49.954 23.161 1.00 76.95 C ANISOU 636 CD GLU A 331 9470 9845 9922 -1457 -841 -617 C ATOM 637 OE1 GLU A 331 32.596 49.812 23.796 1.00 72.77 O ANISOU 637 OE1 GLU A 331 9036 9220 9393 -1383 -773 -571 O ATOM 638 OE2 GLU A 331 31.262 51.013 22.679 1.00 79.82 O ANISOU 638 OE2 GLU A 331 9694 10413 10221 -1396 -878 -603 O ATOM 0 H AGLU A 331 33.015 46.758 25.333 0.77 51.61 H new ATOM 0 H BGLU A 331 33.006 46.750 25.341 0.23 51.61 H new ATOM 0 HA GLU A 331 31.304 48.817 25.362 1.00 67.65 H new ATOM 0 HB2 GLU A 331 31.803 47.146 23.393 1.00 71.37 H new ATOM 0 HB3 GLU A 331 30.311 46.884 23.764 1.00 71.37 H new ATOM 0 HG2 GLU A 331 30.542 48.558 22.060 1.00 76.87 H new ATOM 0 HG3 GLU A 331 29.714 49.068 23.279 1.00 76.87 H new ATOM 645 N ASP A 332 30.682 46.748 27.324 1.00 68.09 N ANISOU 645 N ASP A 332 8538 8168 9164 -1792 -548 -319 N ATOM 646 CA ASP A 332 29.760 46.231 28.329 1.00 75.04 C ANISOU 646 CA ASP A 332 9361 9023 10129 -1921 -483 -225 C ATOM 647 C ASP A 332 30.051 46.836 29.715 1.00 66.76 C ANISOU 647 C ASP A 332 8282 8002 9080 -1836 -369 -74 C ATOM 648 O ASP A 332 29.768 46.226 30.743 1.00 67.63 O ANISOU 648 O ASP A 332 8427 8021 9248 -1908 -294 16 O ATOM 649 CB ASP A 332 29.842 44.701 28.376 1.00 85.36 C ANISOU 649 CB ASP A 332 10853 10074 11505 -2046 -491 -271 C ATOM 0 H ASP A 332 31.512 46.668 27.534 1.00 68.09 H new ATOM 0 HA ASP A 332 28.859 46.489 28.080 1.00 75.04 H new ATOM 652 N GLY A 333 30.615 48.040 29.744 1.00 48.42 N ANISOU 652 N GLY A 333 5904 5803 6689 -1684 -359 -48 N ATOM 653 CA GLY A 333 30.664 48.878 30.943 1.00 45.93 C ANISOU 653 CA GLY A 333 5526 5568 6357 -1596 -269 78 C ATOM 654 C GLY A 333 31.233 48.535 32.309 1.00 57.09 C ANISOU 654 C GLY A 333 7062 6833 7799 -1589 -183 179 C ATOM 655 O GLY A 333 30.458 48.479 33.247 1.00 69.35 O ANISOU 655 O GLY A 333 8580 8376 9394 -1678 -118 257 O ATOM 0 H GLY A 333 30.987 48.400 29.057 1.00 48.42 H new ATOM 0 HA2 GLY A 333 31.134 49.681 30.669 1.00 45.93 H new ATOM 0 HA3 GLY A 333 29.743 49.131 31.111 1.00 45.93 H new ATOM 659 N GLU A 334 32.541 48.284 32.437 1.00 57.77 N ANISOU 659 N GLU A 334 7284 6811 7854 -1478 -183 184 N ATOM 660 CA GLU A 334 33.205 48.119 33.759 1.00 52.61 C ANISOU 660 CA GLU A 334 6741 6047 7202 -1425 -108 294 C ATOM 661 C GLU A 334 34.140 49.293 34.160 1.00 47.98 C ANISOU 661 C GLU A 334 6139 5535 6555 -1273 -109 332 C ATOM 662 O GLU A 334 35.139 49.105 34.853 1.00 39.58 O ANISOU 662 O GLU A 334 5205 4357 5475 -1189 -96 383 O ATOM 663 CB GLU A 334 33.991 46.825 33.836 1.00 60.65 C ANISOU 663 CB GLU A 334 7983 6809 8253 -1441 -116 274 C ATOM 664 CG GLU A 334 34.765 46.515 32.582 1.00 64.09 C ANISOU 664 CG GLU A 334 8537 7148 8665 -1380 -200 150 C ATOM 665 CD GLU A 334 35.010 45.023 32.374 1.00 66.06 C ANISOU 665 CD GLU A 334 8986 7161 8953 -1430 -215 92 C ATOM 666 OE1 GLU A 334 36.177 44.593 32.404 1.00 68.63 O ANISOU 666 OE1 GLU A 334 9505 7315 9257 -1309 -216 88 O ATOM 667 OE2 GLU A 334 34.042 44.282 32.150 1.00 73.34 O ANISOU 667 OE2 GLU A 334 9873 8068 9927 -1581 -230 50 O ATOM 0 H GLU A 334 33.075 48.203 31.767 1.00 57.77 H new ATOM 0 HA GLU A 334 32.469 48.105 34.391 1.00 52.61 H new ATOM 0 HB2 GLU A 334 34.607 46.873 34.584 1.00 60.65 H new ATOM 0 HB3 GLU A 334 33.380 46.094 34.019 1.00 60.65 H new ATOM 0 HG2 GLU A 334 34.283 46.866 31.817 1.00 64.09 H new ATOM 0 HG3 GLU A 334 35.619 46.975 32.615 1.00 64.09 H new ATOM 674 N GLY A 335 33.817 50.476 33.692 1.00 27.25 N ANISOU 674 N GLY A 335 3831 3281 3242 -816 657 418 N ATOM 675 CA GLY A 335 34.657 51.662 33.871 1.00 21.02 C ANISOU 675 CA GLY A 335 3035 2604 2349 -634 546 409 C ATOM 676 C GLY A 335 35.132 52.281 32.575 1.00 19.58 C ANISOU 676 C GLY A 335 2796 2477 2165 -645 400 298 C ATOM 677 O GLY A 335 35.408 51.597 31.603 1.00 20.66 O ANISOU 677 O GLY A 335 2994 2522 2335 -736 389 226 O ATOM 0 H GLY A 335 33.094 50.627 33.252 1.00 27.25 H new ATOM 0 HA2 GLY A 335 34.160 52.327 34.373 1.00 21.02 H new ATOM 0 HA3 GLY A 335 35.430 51.422 34.406 1.00 21.02 H new ATOM 681 N ILE A 336 35.201 53.608 32.563 1.00 14.84 N ANISOU 681 N ILE A 336 2107 2011 1519 -553 315 282 N ATOM 682 CA ILE A 336 35.763 54.377 31.469 1.00 11.98 C ANISOU 682 CA ILE A 336 1703 1705 1144 -528 194 207 C ATOM 683 C ILE A 336 36.947 55.091 32.046 1.00 11.00 C ANISOU 683 C ILE A 336 1638 1585 957 -374 150 225 C ATOM 684 O ILE A 336 36.758 55.832 32.995 1.00 11.68 O ANISOU 684 O ILE A 336 1726 1724 987 -311 167 254 O ATOM 685 CB ILE A 336 34.763 55.401 30.923 1.00 18.96 C ANISOU 685 CB ILE A 336 2414 2735 2054 -559 140 202 C ATOM 686 CG1 ILE A 336 33.481 54.720 30.437 1.00 25.65 C ANISOU 686 CG1 ILE A 336 3146 3625 2975 -747 143 216 C ATOM 687 CG2 ILE A 336 35.384 56.228 29.827 1.00 23.07 C ANISOU 687 CG2 ILE A 336 2915 3305 2547 -518 30 150 C ATOM 688 CD1 ILE A 336 33.709 53.727 29.363 1.00 27.93 C ANISOU 688 CD1 ILE A 336 3528 3839 3246 -911 88 125 C ATOM 0 H ILE A 336 34.913 54.096 33.210 1.00 14.84 H new ATOM 0 HA ILE A 336 35.999 53.796 30.729 1.00 11.98 H new ATOM 0 HB ILE A 336 34.523 55.997 31.650 1.00 18.96 H new ATOM 0 HG12 ILE A 336 33.052 54.281 31.188 1.00 25.65 H new ATOM 0 HG13 ILE A 336 32.866 55.397 30.116 1.00 25.65 H new ATOM 0 HG21 ILE A 336 34.734 56.868 29.497 1.00 23.07 H new ATOM 0 HG22 ILE A 336 36.155 56.701 30.176 1.00 23.07 H new ATOM 0 HG23 ILE A 336 35.663 55.647 29.102 1.00 23.07 H new ATOM 0 HD11 ILE A 336 32.862 53.334 29.101 1.00 27.93 H new ATOM 0 HD12 ILE A 336 34.112 54.165 28.597 1.00 27.93 H new ATOM 0 HD13 ILE A 336 34.302 53.031 29.686 1.00 27.93 H new ATOM 700 N PHE A 337 38.139 54.866 31.502 1.00 10.56 N ANISOU 700 N PHE A 337 1633 1468 911 -328 108 210 N ATOM 701 CA PHE A 337 39.369 55.435 32.056 1.00 10.13 C ANISOU 701 CA PHE A 337 1596 1430 824 -212 40 251 C ATOM 702 C PHE A 337 40.134 56.275 31.048 1.00 10.14 C ANISOU 702 C PHE A 337 1537 1457 857 -182 -30 202 C ATOM 703 O PHE A 337 40.101 55.991 29.850 1.00 9.20 O ANISOU 703 O PHE A 337 1419 1303 775 -221 -3 152 O ATOM 704 CB PHE A 337 40.291 54.318 32.580 1.00 11.05 C ANISOU 704 CB PHE A 337 1784 1450 963 -148 74 356 C ATOM 705 CG PHE A 337 39.644 53.428 33.591 1.00 12.16 C ANISOU 705 CG PHE A 337 2006 1545 1070 -165 163 434 C ATOM 706 CD1 PHE A 337 38.847 52.371 33.185 1.00 12.90 C ANISOU 706 CD1 PHE A 337 2145 1527 1229 -259 289 414 C ATOM 707 CD2 PHE A 337 39.826 53.631 34.942 1.00 13.03 C ANISOU 707 CD2 PHE A 337 2168 1716 1067 -109 127 526 C ATOM 708 CE1 PHE A 337 38.247 51.549 34.108 1.00 18.42 C ANISOU 708 CE1 PHE A 337 2916 2164 1917 -283 399 501 C ATOM 709 CE2 PHE A 337 39.220 52.822 35.859 1.00 21.05 C ANISOU 709 CE2 PHE A 337 3276 2686 2037 -117 234 616 C ATOM 710 CZ PHE A 337 38.434 51.791 35.451 1.00 16.46 C ANISOU 710 CZ PHE A 337 2716 1982 1556 -196 381 612 C ATOM 0 H PHE A 337 38.260 54.380 30.803 1.00 10.56 H new ATOM 0 HA PHE A 337 39.097 56.016 32.783 1.00 10.13 H new ATOM 0 HB2 PHE A 337 40.590 53.779 31.831 1.00 11.05 H new ATOM 0 HB3 PHE A 337 41.081 54.720 32.974 1.00 11.05 H new ATOM 0 HD1 PHE A 337 38.716 52.216 32.277 1.00 12.90 H new ATOM 0 HD2 PHE A 337 40.369 54.328 35.232 1.00 13.03 H new ATOM 0 HE1 PHE A 337 37.720 50.836 33.829 1.00 18.42 H new ATOM 0 HE2 PHE A 337 39.345 52.977 36.767 1.00 21.05 H new ATOM 0 HZ PHE A 337 38.021 51.246 36.081 1.00 16.46 H new ATOM 720 N ILE A 338 40.819 57.293 31.545 1.00 9.40 N ANISOU 720 N ILE A 338 1416 1417 736 -131 -111 212 N ATOM 721 CA ILE A 338 41.686 58.113 30.716 1.00 10.66 C ANISOU 721 CA ILE A 338 1514 1587 950 -104 -160 189 C ATOM 722 C ILE A 338 43.007 57.379 30.483 1.00 10.05 C ANISOU 722 C ILE A 338 1412 1449 957 -44 -155 268 C ATOM 723 O ILE A 338 43.706 57.031 31.422 1.00 10.17 O ANISOU 723 O ILE A 338 1415 1476 973 -4 -210 366 O ATOM 724 CB ILE A 338 41.957 59.471 31.343 1.00 12.39 C ANISOU 724 CB ILE A 338 1722 1858 1129 -107 -236 163 C ATOM 725 CG1 ILE A 338 40.658 60.269 31.527 1.00 16.60 C ANISOU 725 CG1 ILE A 338 2279 2418 1611 -123 -180 106 C ATOM 726 CG2 ILE A 338 42.971 60.237 30.459 1.00 8.54 C ANISOU 726 CG2 ILE A 338 1158 1359 729 -93 -270 159 C ATOM 727 CD1 ILE A 338 40.876 61.702 32.128 1.00 17.76 C ANISOU 727 CD1 ILE A 338 2475 2558 1715 -129 -200 55 C ATOM 0 H ILE A 338 40.795 57.528 32.372 1.00 9.40 H new ATOM 0 HA ILE A 338 41.233 58.266 29.872 1.00 10.66 H new ATOM 0 HB ILE A 338 42.335 59.347 32.228 1.00 12.39 H new ATOM 0 HG12 ILE A 338 40.214 60.351 30.668 1.00 16.60 H new ATOM 0 HG13 ILE A 338 40.062 59.771 32.108 1.00 16.60 H new ATOM 0 HG21 ILE A 338 43.151 61.106 30.851 1.00 8.54 H new ATOM 0 HG22 ILE A 338 43.797 59.732 30.401 1.00 8.54 H new ATOM 0 HG23 ILE A 338 42.602 60.354 29.570 1.00 8.54 H new ATOM 0 HD11 ILE A 338 40.020 62.149 32.218 1.00 17.76 H new ATOM 0 HD12 ILE A 338 41.294 61.627 33.000 1.00 17.76 H new ATOM 0 HD13 ILE A 338 41.449 62.217 31.538 1.00 17.76 H new ATOM 739 N SER A 339 43.363 57.181 29.231 1.00 9.88 N ANISOU 739 N SER A 339 1382 1370 1002 -27 -81 247 N ATOM 740 CA SER A 339 44.596 56.458 28.882 1.00 11.28 C ANISOU 740 CA SER A 339 1532 1461 1294 62 -6 338 C ATOM 741 C SER A 339 45.717 57.343 28.393 1.00 12.77 C ANISOU 741 C SER A 339 1600 1676 1577 106 -31 379 C ATOM 742 O SER A 339 46.865 56.889 28.283 1.00 14.25 O ANISOU 742 O SER A 339 1702 1814 1898 198 28 499 O ATOM 743 CB SER A 339 44.327 55.456 27.794 1.00 12.88 C ANISOU 743 CB SER A 339 1857 1535 1502 54 160 283 C ATOM 744 OG SER A 339 43.784 56.153 26.669 1.00 12.41 O ANISOU 744 OG SER A 339 1831 1515 1369 -17 159 172 O ATOM 0 H SER A 339 42.909 57.455 28.554 1.00 9.88 H new ATOM 0 HA SER A 339 44.876 56.038 29.710 1.00 11.28 H new ATOM 0 HB2 SER A 339 45.145 54.998 27.546 1.00 12.88 H new ATOM 0 HB3 SER A 339 43.706 54.778 28.104 1.00 12.88 H new ATOM 0 HG SER A 339 43.931 55.713 25.969 1.00 12.41 H new ATOM 750 N PHE A 340 45.379 58.563 28.008 1.00 11.66 N ANISOU 750 N PHE A 340 1441 1596 1394 50 -85 300 N ATOM 751 CA PHE A 340 46.315 59.441 27.289 1.00 9.70 C ANISOU 751 CA PHE A 340 1098 1344 1242 72 -65 329 C ATOM 752 C PHE A 340 45.756 60.868 27.332 1.00 8.90 C ANISOU 752 C PHE A 340 998 1299 1084 4 -141 254 C ATOM 753 O PHE A 340 44.584 61.070 27.069 1.00 9.63 O ANISOU 753 O PHE A 340 1170 1413 1077 -22 -130 184 O ATOM 754 CB PHE A 340 46.486 58.975 25.839 1.00 11.46 C ANISOU 754 CB PHE A 340 1390 1481 1482 120 114 314 C ATOM 755 CG PHE A 340 47.315 59.893 24.965 1.00 10.32 C ANISOU 755 CG PHE A 340 1172 1325 1425 147 180 351 C ATOM 756 CD1 PHE A 340 46.738 60.987 24.351 1.00 10.18 C ANISOU 756 CD1 PHE A 340 1193 1346 1330 101 160 292 C ATOM 757 CD2 PHE A 340 48.656 59.624 24.718 1.00 15.61 C ANISOU 757 CD2 PHE A 340 1724 1937 2271 233 291 473 C ATOM 758 CE1 PHE A 340 47.465 61.817 23.549 1.00 12.79 C ANISOU 758 CE1 PHE A 340 1473 1650 1739 126 244 341 C ATOM 759 CE2 PHE A 340 49.399 60.446 23.914 1.00 16.70 C ANISOU 759 CE2 PHE A 340 1786 2055 2503 252 381 521 C ATOM 760 CZ PHE A 340 48.814 61.558 23.335 1.00 12.97 C ANISOU 760 CZ PHE A 340 1380 1613 1936 191 359 448 C ATOM 0 H PHE A 340 44.606 58.912 28.151 1.00 11.66 H new ATOM 0 HA PHE A 340 47.188 59.412 27.710 1.00 9.70 H new ATOM 0 HB2 PHE A 340 46.896 58.096 25.842 1.00 11.46 H new ATOM 0 HB3 PHE A 340 45.608 58.876 25.439 1.00 11.46 H new ATOM 0 HD1 PHE A 340 45.835 61.162 24.487 1.00 10.18 H new ATOM 0 HD2 PHE A 340 49.053 58.877 25.103 1.00 15.61 H new ATOM 0 HE1 PHE A 340 47.061 62.552 23.148 1.00 12.79 H new ATOM 0 HE2 PHE A 340 50.296 60.257 23.757 1.00 16.70 H new ATOM 0 HZ PHE A 340 49.321 62.130 22.805 1.00 12.97 H new ATOM 770 N ILE A 341 46.590 61.836 27.665 1.00 9.15 N ANISOU 770 N ILE A 341 935 1344 1196 -30 -209 284 N ATOM 771 CA ILE A 341 46.223 63.240 27.566 1.00 8.91 C ANISOU 771 CA ILE A 341 930 1308 1146 -84 -225 220 C ATOM 772 C ILE A 341 47.156 63.936 26.603 1.00 9.49 C ANISOU 772 C ILE A 341 920 1334 1350 -76 -150 271 C ATOM 773 O ILE A 341 48.361 63.813 26.686 1.00 10.53 O ANISOU 773 O ILE A 341 918 1463 1619 -85 -165 355 O ATOM 774 CB ILE A 341 46.262 63.889 28.928 1.00 9.51 C ANISOU 774 CB ILE A 341 1030 1408 1175 -177 -353 175 C ATOM 775 CG1 ILE A 341 45.274 63.170 29.849 1.00 12.31 C ANISOU 775 CG1 ILE A 341 1487 1803 1386 -169 -382 140 C ATOM 776 CG2 ILE A 341 45.987 65.393 28.866 1.00 13.18 C ANISOU 776 CG2 ILE A 341 1554 1810 1644 -233 -323 102 C ATOM 777 CD1 ILE A 341 45.364 63.558 31.244 1.00 16.55 C ANISOU 777 CD1 ILE A 341 2096 2368 1825 -257 -494 101 C ATOM 0 H ILE A 341 47.388 61.700 27.956 1.00 9.15 H new ATOM 0 HA ILE A 341 45.317 63.315 27.229 1.00 8.91 H new ATOM 0 HB ILE A 341 47.159 63.802 29.287 1.00 9.51 H new ATOM 0 HG12 ILE A 341 44.372 63.341 29.535 1.00 12.31 H new ATOM 0 HG13 ILE A 341 45.422 62.214 29.780 1.00 12.31 H new ATOM 0 HG21 ILE A 341 46.022 65.766 29.761 1.00 13.18 H new ATOM 0 HG22 ILE A 341 46.657 65.822 28.311 1.00 13.18 H new ATOM 0 HG23 ILE A 341 45.107 65.546 28.487 1.00 13.18 H new ATOM 0 HD11 ILE A 341 44.710 63.062 31.761 1.00 16.55 H new ATOM 0 HD12 ILE A 341 46.254 63.364 31.577 1.00 16.55 H new ATOM 0 HD13 ILE A 341 45.188 64.508 31.328 1.00 16.55 H new ATOM 789 N LEU A 342 46.560 64.642 25.660 1.00 10.40 N ANISOU 789 N LEU A 342 1099 1420 1431 -49 -59 248 N ATOM 790 CA LEU A 342 47.315 65.333 24.638 1.00 11.69 C ANISOU 790 CA LEU A 342 1215 1527 1699 -31 50 309 C ATOM 791 C LEU A 342 47.988 66.578 25.180 1.00 11.58 C ANISOU 791 C LEU A 342 1134 1460 1807 -129 6 309 C ATOM 792 O LEU A 342 47.329 67.434 25.771 1.00 12.64 O ANISOU 792 O LEU A 342 1352 1562 1889 -179 -33 236 O ATOM 793 CB LEU A 342 46.380 65.695 23.498 1.00 9.96 C ANISOU 793 CB LEU A 342 1104 1311 1370 29 140 310 C ATOM 794 CG LEU A 342 47.005 66.498 22.349 1.00 13.27 C ANISOU 794 CG LEU A 342 1516 1668 1856 63 281 391 C ATOM 795 CD1 LEU A 342 48.052 65.651 21.645 1.00 18.81 C ANISOU 795 CD1 LEU A 342 2183 2344 2619 107 405 450 C ATOM 796 CD2 LEU A 342 45.927 66.978 21.401 1.00 18.88 C ANISOU 796 CD2 LEU A 342 2337 2414 2424 121 321 420 C ATOM 0 H LEU A 342 45.707 64.734 25.595 1.00 10.40 H new ATOM 0 HA LEU A 342 48.017 64.744 24.321 1.00 11.69 H new ATOM 0 HB2 LEU A 342 46.010 64.876 23.133 1.00 9.96 H new ATOM 0 HB3 LEU A 342 45.638 66.205 23.860 1.00 9.96 H new ATOM 0 HG LEU A 342 47.449 67.285 22.701 1.00 13.27 H new ATOM 0 HD11 LEU A 342 48.446 66.160 20.919 1.00 18.81 H new ATOM 0 HD12 LEU A 342 48.744 65.401 22.277 1.00 18.81 H new ATOM 0 HD13 LEU A 342 47.635 64.851 21.289 1.00 18.81 H new ATOM 0 HD21 LEU A 342 46.332 67.484 20.679 1.00 18.88 H new ATOM 0 HD22 LEU A 342 45.455 66.214 21.034 1.00 18.88 H new ATOM 0 HD23 LEU A 342 45.302 67.544 21.881 1.00 18.88 H new ATOM 808 N ALA A 343 49.294 66.705 24.907 1.00 12.54 N ANISOU 808 N ALA A 343 1109 1552 2102 -160 43 396 N ATOM 809 CA ALA A 343 50.061 67.880 25.284 1.00 15.36 C ANISOU 809 CA ALA A 343 1386 1849 2603 -299 4 400 C ATOM 810 C ALA A 343 49.469 69.101 24.588 1.00 16.53 C ANISOU 810 C ALA A 343 1658 1886 2736 -285 135 376 C ATOM 811 O ALA A 343 49.308 69.110 23.366 1.00 17.96 O ANISOU 811 O ALA A 343 1875 2046 2904 -171 294 449 O ATOM 812 CB ALA A 343 51.566 67.723 24.903 1.00 15.35 C ANISOU 812 CB ALA A 343 1151 1847 2834 -324 51 543 C ATOM 0 H ALA A 343 49.753 66.105 24.496 1.00 12.54 H new ATOM 0 HA ALA A 343 50.012 67.989 26.247 1.00 15.36 H new ATOM 0 HB1 ALA A 343 52.051 68.520 25.166 1.00 15.35 H new ATOM 0 HB2 ALA A 343 51.937 66.953 25.361 1.00 15.35 H new ATOM 0 HB3 ALA A 343 51.646 67.598 23.944 1.00 15.35 H new ATOM 818 N GLY A 344 49.138 70.115 25.366 1.00 16.62 N ANISOU 818 N GLY A 344 1761 1820 2736 -394 85 282 N ATOM 819 CA GLY A 344 48.621 71.350 24.802 1.00 17.93 C ANISOU 819 CA GLY A 344 2044 1844 2922 -366 237 285 C ATOM 820 C GLY A 344 47.138 71.389 24.518 1.00 19.60 C ANISOU 820 C GLY A 344 2394 2072 2980 -210 300 279 C ATOM 821 O GLY A 344 46.598 72.445 24.144 1.00 15.42 O ANISOU 821 O GLY A 344 1958 1425 2476 -155 432 313 O ATOM 0 H GLY A 344 49.204 70.110 26.223 1.00 16.62 H new ATOM 0 HA2 GLY A 344 48.833 72.075 25.411 1.00 17.93 H new ATOM 0 HA3 GLY A 344 49.094 71.528 23.974 1.00 17.93 H new ATOM 825 N GLY A 345 46.459 70.261 24.693 1.00 12.92 N ANISOU 825 N GLY A 345 1547 1366 1995 -138 215 260 N ATOM 826 CA GLY A 345 45.015 70.220 24.488 1.00 16.71 C ANISOU 826 CA GLY A 345 2104 1894 2350 -16 246 274 C ATOM 827 C GLY A 345 44.218 70.814 25.646 1.00 17.53 C ANISOU 827 C GLY A 345 2306 1930 2425 -34 250 186 C ATOM 828 O GLY A 345 44.752 71.111 26.694 1.00 12.29 O ANISOU 828 O GLY A 345 1695 1195 1780 -165 201 79 O ATOM 0 H GLY A 345 46.812 69.513 24.929 1.00 12.92 H new ATOM 0 HA2 GLY A 345 44.797 70.701 23.675 1.00 16.71 H new ATOM 0 HA3 GLY A 345 44.741 69.299 24.355 1.00 16.71 H new ATOM 832 N PRO A 346 42.914 70.980 25.465 1.00 12.29 N ANISOU 832 N PRO A 346 1669 1294 1705 93 315 238 N ATOM 833 CA PRO A 346 42.126 71.573 26.560 1.00 12.43 C ANISOU 833 CA PRO A 346 1793 1219 1711 107 387 167 C ATOM 834 C PRO A 346 42.193 70.804 27.885 1.00 11.88 C ANISOU 834 C PRO A 346 1774 1199 1541 3 280 34 C ATOM 835 O PRO A 346 42.272 71.479 28.907 1.00 16.15 O ANISOU 835 O PRO A 346 2464 1609 2062 -74 332 -78 O ATOM 836 CB PRO A 346 40.696 71.575 25.993 1.00 17.70 C ANISOU 836 CB PRO A 346 2396 1969 2360 285 457 306 C ATOM 837 CG PRO A 346 40.908 71.700 24.528 1.00 16.98 C ANISOU 837 CG PRO A 346 2230 1935 2288 349 455 450 C ATOM 838 CD PRO A 346 42.130 70.849 24.227 1.00 12.60 C ANISOU 838 CD PRO A 346 1650 1436 1703 229 344 386 C ATOM 0 HA PRO A 346 42.467 72.449 26.800 1.00 12.43 H new ATOM 0 HB2 PRO A 346 40.221 70.760 26.217 1.00 17.70 H new ATOM 0 HB3 PRO A 346 40.173 72.313 26.343 1.00 17.70 H new ATOM 0 HG2 PRO A 346 40.134 71.388 24.034 1.00 16.98 H new ATOM 0 HG3 PRO A 346 41.053 72.624 24.273 1.00 16.98 H new ATOM 0 HD2 PRO A 346 41.893 69.926 24.045 1.00 12.60 H new ATOM 0 HD3 PRO A 346 42.617 71.175 23.454 1.00 12.60 H new ATOM 846 N ALA A 347 42.152 69.472 27.892 1.00 11.62 N ANISOU 846 N ALA A 347 1656 1327 1432 -5 154 44 N ATOM 847 CA ALA A 347 42.263 68.709 29.138 1.00 14.61 C ANISOU 847 CA ALA A 347 2089 1753 1710 -90 58 -46 C ATOM 848 C ALA A 347 43.618 68.990 29.794 1.00 18.14 C ANISOU 848 C ALA A 347 2575 2150 2168 -252 -48 -123 C ATOM 849 O ALA A 347 43.693 69.210 30.988 1.00 18.74 O ANISOU 849 O ALA A 347 2785 2190 2147 -352 -87 -223 O ATOM 850 CB ALA A 347 42.094 67.232 28.899 1.00 11.45 C ANISOU 850 CB ALA A 347 1593 1498 1258 -68 -32 1 C ATOM 0 H ALA A 347 42.060 68.990 27.186 1.00 11.62 H new ATOM 0 HA ALA A 347 41.550 68.992 29.732 1.00 14.61 H new ATOM 0 HB1 ALA A 347 42.173 66.757 29.741 1.00 11.45 H new ATOM 0 HB2 ALA A 347 41.220 67.064 28.514 1.00 11.45 H new ATOM 0 HB3 ALA A 347 42.781 66.922 28.288 1.00 11.45 H new ATOM 856 N ASP A 348 44.681 69.014 29.011 1.00 15.57 N ANISOU 856 N ASP A 348 2133 1828 1955 -290 -93 -68 N ATOM 857 CA ASP A 348 45.999 69.375 29.564 1.00 15.80 C ANISOU 857 CA ASP A 348 2139 1826 2039 -466 -210 -108 C ATOM 858 C ASP A 348 46.030 70.786 30.118 1.00 17.18 C ANISOU 858 C ASP A 348 2480 1829 2219 -590 -147 -223 C ATOM 859 O ASP A 348 46.552 71.004 31.228 1.00 20.06 O ANISOU 859 O ASP A 348 2939 2182 2501 -776 -274 -327 O ATOM 860 CB ASP A 348 47.090 69.215 28.509 1.00 13.79 C ANISOU 860 CB ASP A 348 1698 1591 1950 -464 -213 3 C ATOM 861 CG ASP A 348 48.491 69.457 29.066 1.00 16.73 C ANISOU 861 CG ASP A 348 1965 1972 2421 -656 -359 6 C ATOM 862 OD1 ASP A 348 48.699 69.238 30.288 1.00 17.95 O ANISOU 862 OD1 ASP A 348 2163 2189 2468 -782 -531 -55 O ATOM 863 OD2 ASP A 348 49.379 69.881 28.288 1.00 17.66 O ANISOU 863 OD2 ASP A 348 1949 2043 2719 -691 -307 83 O ATOM 0 H ASP A 348 44.675 68.830 28.171 1.00 15.57 H new ATOM 0 HA ASP A 348 46.166 68.765 30.300 1.00 15.80 H new ATOM 0 HB2 ASP A 348 47.045 68.321 28.136 1.00 13.79 H new ATOM 0 HB3 ASP A 348 46.924 69.835 27.781 1.00 13.79 H new ATOM 868 N LEU A 349 45.512 71.751 29.358 1.00 18.68 N ANISOU 868 N LEU A 349 2725 1878 2495 -500 46 -199 N ATOM 869 CA LEU A 349 45.548 73.151 29.770 1.00 17.50 C ANISOU 869 CA LEU A 349 2763 1504 2381 -606 166 -305 C ATOM 870 C LEU A 349 44.815 73.329 31.093 1.00 36.33 C ANISOU 870 C LEU A 349 5388 3826 4590 -649 200 -454 C ATOM 871 O LEU A 349 45.122 74.227 31.859 1.00 40.61 O ANISOU 871 O LEU A 349 6141 4199 5091 -826 233 -604 O ATOM 872 CB LEU A 349 44.963 74.056 28.693 1.00 18.46 C ANISOU 872 CB LEU A 349 2900 1482 2631 -442 402 -204 C ATOM 873 CG LEU A 349 45.743 74.079 27.383 1.00 36.43 C ANISOU 873 CG LEU A 349 5001 3785 5057 -415 412 -61 C ATOM 874 CD1 LEU A 349 44.999 74.865 26.321 1.00 43.87 C ANISOU 874 CD1 LEU A 349 5971 4623 6075 -220 630 78 C ATOM 875 CD2 LEU A 349 47.120 74.653 27.598 1.00 33.73 C ANISOU 875 CD2 LEU A 349 4633 3344 4839 -657 352 -118 C ATOM 0 H LEU A 349 45.134 71.613 28.598 1.00 18.68 H new ATOM 0 HA LEU A 349 46.475 73.409 29.895 1.00 17.50 H new ATOM 0 HB2 LEU A 349 44.054 73.772 28.508 1.00 18.46 H new ATOM 0 HB3 LEU A 349 44.913 74.960 29.041 1.00 18.46 H new ATOM 0 HG LEU A 349 45.835 73.165 27.071 1.00 36.43 H new ATOM 0 HD11 LEU A 349 45.514 74.866 25.499 1.00 43.87 H new ATOM 0 HD12 LEU A 349 44.135 74.455 26.161 1.00 43.87 H new ATOM 0 HD13 LEU A 349 44.872 75.778 26.623 1.00 43.87 H new ATOM 0 HD21 LEU A 349 47.603 74.661 26.757 1.00 33.73 H new ATOM 0 HD22 LEU A 349 47.044 75.559 27.935 1.00 33.73 H new ATOM 0 HD23 LEU A 349 47.601 74.109 28.241 1.00 33.73 H new ATOM 887 N SER A 350 43.871 72.440 31.362 1.00 29.48 N ANISOU 887 N SER A 350 4504 3088 3610 -505 203 -419 N ATOM 888 CA SER A 350 43.177 72.397 32.642 1.00 31.98 C ANISOU 888 CA SER A 350 5037 3372 3740 -528 252 -537 C ATOM 889 C SER A 350 44.062 71.909 33.802 1.00 26.05 C ANISOU 889 C SER A 350 4370 2715 2812 -757 12 -645 C ATOM 890 O SER A 350 44.002 72.456 34.911 1.00 28.90 O ANISOU 890 O SER A 350 4964 2994 3024 -866 42 -776 O ATOM 891 CB SER A 350 41.966 71.514 32.485 1.00 16.45 C ANISOU 891 CB SER A 350 2976 1531 1742 -320 322 -432 C ATOM 892 OG SER A 350 41.697 70.777 33.631 1.00 18.57 O ANISOU 892 OG SER A 350 3350 1882 1824 -365 263 -494 O ATOM 0 H SER A 350 43.612 71.839 30.804 1.00 29.48 H new ATOM 0 HA SER A 350 42.920 73.302 32.879 1.00 31.98 H new ATOM 0 HB2 SER A 350 41.196 72.062 32.267 1.00 16.45 H new ATOM 0 HB3 SER A 350 42.104 70.909 31.739 1.00 16.45 H new ATOM 0 HG SER A 350 41.017 70.300 33.505 1.00 18.57 H new ATOM 898 N GLY A 351 44.856 70.877 33.535 1.00 28.34 N ANISOU 898 N GLY A 351 4432 3202 3133 -787 -214 -544 N ATOM 899 CA GLY A 351 45.922 70.435 34.421 1.00 23.44 C ANISOU 899 CA GLY A 351 3785 2710 2413 -973 -474 -560 C ATOM 900 C GLY A 351 45.442 69.599 35.593 1.00 35.91 C ANISOU 900 C GLY A 351 5445 4407 3794 -915 -515 -551 C ATOM 901 O GLY A 351 46.165 69.427 36.568 1.00 44.14 O ANISOU 901 O GLY A 351 6485 5538 4747 -1012 -670 -547 O ATOM 0 H GLY A 351 44.787 70.406 32.819 1.00 28.34 H new ATOM 0 HA2 GLY A 351 46.563 69.919 33.908 1.00 23.44 H new ATOM 0 HA3 GLY A 351 46.391 71.213 34.761 1.00 23.44 H new ATOM 905 N GLU A 352 44.225 69.072 35.509 1.00 23.63 N ANISOU 905 N GLU A 352 3272 2298 3409 -299 -560 429 N ATOM 906 CA GLU A 352 43.655 68.389 36.660 1.00 14.44 C ANISOU 906 CA GLU A 352 2231 1148 2108 -265 -598 333 C ATOM 907 C GLU A 352 43.153 66.963 36.411 1.00 13.17 C ANISOU 907 C GLU A 352 1988 1144 1872 -218 -512 324 C ATOM 908 O GLU A 352 42.552 66.366 37.295 1.00 16.48 O ANISOU 908 O GLU A 352 2505 1583 2175 -189 -515 262 O ATOM 909 CB GLU A 352 42.520 69.202 37.211 1.00 15.36 C ANISOU 909 CB GLU A 352 2530 1205 2102 -182 -553 269 C ATOM 910 CG GLU A 352 42.915 70.614 37.647 1.00 19.28 C ANISOU 910 CG GLU A 352 3172 1505 2647 -221 -650 251 C ATOM 911 CD GLU A 352 41.788 71.595 37.437 1.00 38.78 C ANISOU 911 CD GLU A 352 5750 3935 5049 -104 -538 238 C ATOM 912 OE1 GLU A 352 42.076 72.758 37.071 1.00 40.52 O ANISOU 912 OE1 GLU A 352 6016 4021 5357 -127 -563 274 O ATOM 913 OE2 GLU A 352 40.615 71.201 37.641 1.00 28.14 O ANISOU 913 OE2 GLU A 352 4434 2686 3573 11 -423 203 O ATOM 0 H GLU A 352 43.724 69.098 34.811 1.00 23.63 H new ATOM 0 HA GLU A 352 44.392 68.303 37.285 1.00 14.44 H new ATOM 0 HB2 GLU A 352 41.824 69.265 36.538 1.00 15.36 H new ATOM 0 HB3 GLU A 352 42.139 68.734 37.971 1.00 15.36 H new ATOM 0 HG2 GLU A 352 43.168 70.606 38.584 1.00 19.28 H new ATOM 0 HG3 GLU A 352 43.694 70.902 37.146 1.00 19.28 H new ATOM 920 N LEU A 353 43.359 66.458 35.205 1.00 13.42 N ANISOU 920 N LEU A 353 1861 1278 1962 -210 -429 386 N ATOM 921 CA LEU A 353 43.082 65.065 34.861 1.00 11.97 C ANISOU 921 CA LEU A 353 1605 1216 1728 -183 -368 374 C ATOM 922 C LEU A 353 44.394 64.363 34.683 1.00 15.79 C ANISOU 922 C LEU A 353 1977 1697 2325 -229 -420 415 C ATOM 923 O LEU A 353 45.386 65.000 34.315 1.00 16.73 O ANISOU 923 O LEU A 353 2013 1768 2575 -273 -451 481 O ATOM 924 CB LEU A 353 42.234 64.978 33.574 1.00 10.86 C ANISOU 924 CB LEU A 353 1396 1191 1541 -122 -238 400 C ATOM 925 CG LEU A 353 40.821 65.528 33.651 1.00 17.73 C ANISOU 925 CG LEU A 353 2334 2091 2311 -57 -180 375 C ATOM 926 CD1 LEU A 353 40.151 65.502 32.283 1.00 23.48 C ANISOU 926 CD1 LEU A 353 2980 2935 3008 -6 -92 416 C ATOM 927 CD2 LEU A 353 40.007 64.724 34.639 1.00 15.75 C ANISOU 927 CD2 LEU A 353 2149 1871 1965 -47 -178 311 C ATOM 0 H LEU A 353 43.669 66.920 34.549 1.00 13.42 H new ATOM 0 HA LEU A 353 42.572 64.642 35.570 1.00 11.97 H new ATOM 0 HB2 LEU A 353 42.705 65.449 32.869 1.00 10.86 H new ATOM 0 HB3 LEU A 353 42.183 64.047 33.307 1.00 10.86 H new ATOM 0 HG LEU A 353 40.869 66.450 33.949 1.00 17.73 H new ATOM 0 HD11 LEU A 353 39.251 65.857 32.356 1.00 23.48 H new ATOM 0 HD12 LEU A 353 40.662 66.044 31.662 1.00 23.48 H new ATOM 0 HD13 LEU A 353 40.112 64.589 31.959 1.00 23.48 H new ATOM 0 HD21 LEU A 353 39.106 65.081 34.683 1.00 15.75 H new ATOM 0 HD22 LEU A 353 39.974 63.798 34.353 1.00 15.75 H new ATOM 0 HD23 LEU A 353 40.418 64.777 35.516 1.00 15.75 H new ATOM 939 N ARG A 354 44.397 63.055 34.913 1.00 11.25 N ANISOU 939 N ARG A 354 1392 1171 1712 -215 -420 387 N ATOM 940 CA ARG A 354 45.587 62.247 34.754 1.00 11.71 C ANISOU 940 CA ARG A 354 1342 1230 1877 -227 -455 427 C ATOM 941 C ARG A 354 45.273 60.908 34.092 1.00 11.05 C ANISOU 941 C ARG A 354 1228 1229 1742 -174 -362 408 C ATOM 942 O ARG A 354 44.177 60.362 34.212 1.00 10.42 O ANISOU 942 O ARG A 354 1228 1187 1543 -158 -322 354 O ATOM 943 CB ARG A 354 46.231 61.982 36.136 1.00 16.53 C ANISOU 943 CB ARG A 354 2012 1757 2510 -270 -618 411 C ATOM 944 CG ARG A 354 45.258 61.437 37.138 1.00 35.55 C ANISOU 944 CG ARG A 354 4583 4160 4762 -255 -635 341 C ATOM 945 CD ARG A 354 45.897 61.110 38.476 1.00 47.64 C ANISOU 945 CD ARG A 354 6201 5615 6286 -286 -799 333 C ATOM 946 NE ARG A 354 46.459 62.271 39.154 1.00 51.34 N ANISOU 946 NE ARG A 354 6725 5987 6793 -345 -942 330 N ATOM 947 CZ ARG A 354 47.746 62.617 39.143 1.00 62.18 C ANISOU 947 CZ ARG A 354 7986 7312 8330 -404 -1073 385 C ATOM 948 NH1 ARG A 354 48.649 61.904 38.470 1.00 61.86 N ANISOU 948 NH1 ARG A 354 7751 7319 8432 -390 -1054 457 N ATOM 949 NH2 ARG A 354 48.132 63.696 39.816 1.00 42.84 N ANISOU 949 NH2 ARG A 354 5617 4757 5905 -477 -1223 369 N ATOM 0 H ARG A 354 43.704 62.614 35.167 1.00 11.25 H new ATOM 0 HA ARG A 354 46.200 62.738 34.184 1.00 11.71 H new ATOM 0 HB2 ARG A 354 46.965 61.356 36.031 1.00 16.53 H new ATOM 0 HB3 ARG A 354 46.609 62.808 36.475 1.00 16.53 H new ATOM 0 HG2 ARG A 354 44.548 62.083 37.275 1.00 35.55 H new ATOM 0 HG3 ARG A 354 44.847 60.636 36.778 1.00 35.55 H new ATOM 0 HD2 ARG A 354 45.233 60.699 39.051 1.00 47.64 H new ATOM 0 HD3 ARG A 354 46.598 60.454 38.339 1.00 47.64 H new ATOM 0 HE ARG A 354 45.918 62.772 39.596 1.00 51.34 H new ATOM 0 HH11 ARG A 354 48.405 61.205 38.031 1.00 61.86 H new ATOM 0 HH12 ARG A 354 49.475 62.143 38.474 1.00 61.86 H new ATOM 0 HH21 ARG A 354 47.554 64.161 40.251 1.00 42.84 H new ATOM 0 HH22 ARG A 354 48.960 63.929 39.816 1.00 42.84 H new ATOM 963 N LYS A 355 46.263 60.326 33.442 1.00 11.52 N ANISOU 963 N LYS A 355 1173 1307 1898 -146 -330 454 N ATOM 964 CA LYS A 355 46.123 58.938 33.003 1.00 11.32 C ANISOU 964 CA LYS A 355 1154 1320 1825 -91 -265 421 C ATOM 965 C LYS A 355 45.810 58.070 34.217 1.00 11.16 C ANISOU 965 C LYS A 355 1239 1250 1750 -110 -355 376 C ATOM 966 O LYS A 355 46.484 58.179 35.255 1.00 11.70 O ANISOU 966 O LYS A 355 1316 1255 1875 -137 -477 398 O ATOM 967 CB LYS A 355 47.405 58.471 32.331 1.00 16.35 C ANISOU 967 CB LYS A 355 1660 1965 2587 -37 -217 482 C ATOM 968 CG LYS A 355 47.441 57.058 31.897 1.00 17.15 C ANISOU 968 CG LYS A 355 1788 2077 2652 37 -153 445 C ATOM 969 CD LYS A 355 48.870 56.785 31.427 1.00 36.14 C ANISOU 969 CD LYS A 355 4044 4481 5207 110 -102 523 C ATOM 970 CE LYS A 355 49.079 55.399 30.898 1.00 52.32 C ANISOU 970 CE LYS A 355 6127 6523 7232 215 -18 488 C ATOM 971 NZ LYS A 355 50.545 55.072 30.777 1.00 44.81 N ANISOU 971 NZ LYS A 355 5012 5560 6453 303 15 576 N ATOM 0 H LYS A 355 47.011 60.701 33.245 1.00 11.52 H new ATOM 0 HA LYS A 355 45.401 58.866 32.359 1.00 11.32 H new ATOM 0 HB2 LYS A 355 47.564 59.032 31.556 1.00 16.35 H new ATOM 0 HB3 LYS A 355 48.142 58.620 32.944 1.00 16.35 H new ATOM 0 HG2 LYS A 355 47.199 56.466 32.626 1.00 17.15 H new ATOM 0 HG3 LYS A 355 46.806 56.900 31.181 1.00 17.15 H new ATOM 0 HD2 LYS A 355 49.102 57.424 30.735 1.00 36.14 H new ATOM 0 HD3 LYS A 355 49.479 56.935 32.167 1.00 36.14 H new ATOM 0 HE2 LYS A 355 48.650 54.758 31.487 1.00 52.32 H new ATOM 0 HE3 LYS A 355 48.654 55.315 30.030 1.00 52.32 H new ATOM 0 HZ1 LYS A 355 50.645 54.324 30.305 1.00 44.81 H new ATOM 0 HZ2 LYS A 355 50.965 55.740 30.366 1.00 44.81 H new ATOM 0 HZ3 LYS A 355 50.892 54.958 31.589 1.00 44.81 H new ATOM 985 N GLY A 356 44.833 57.188 34.077 1.00 10.66 N ANISOU 985 N GLY A 356 1257 1212 1581 -101 -303 320 N ATOM 986 CA GLY A 356 44.417 56.328 35.176 1.00 10.66 C ANISOU 986 CA GLY A 356 1366 1164 1520 -124 -363 293 C ATOM 987 C GLY A 356 43.202 56.835 35.941 1.00 10.25 C ANISOU 987 C GLY A 356 1411 1125 1359 -169 -365 265 C ATOM 988 O GLY A 356 42.661 56.099 36.763 1.00 10.36 O ANISOU 988 O GLY A 356 1521 1112 1305 -191 -379 252 O ATOM 0 H GLY A 356 44.393 57.070 33.347 1.00 10.66 H new ATOM 0 HA2 GLY A 356 44.221 55.445 34.826 1.00 10.66 H new ATOM 0 HA3 GLY A 356 45.158 56.229 35.794 1.00 10.66 H new ATOM 992 N ASP A 357 42.746 58.044 35.629 1.00 10.07 N ANISOU 992 N ASP A 357 1366 1141 1320 -172 -334 264 N ATOM 993 CA ASP A 357 41.469 58.542 36.153 1.00 9.87 C ANISOU 993 CA ASP A 357 1414 1143 1194 -184 -299 241 C ATOM 994 C ASP A 357 40.341 57.750 35.560 1.00 9.62 C ANISOU 994 C ASP A 357 1365 1183 1107 -195 -218 219 C ATOM 995 O ASP A 357 40.307 57.515 34.346 1.00 11.37 O ANISOU 995 O ASP A 357 1517 1455 1347 -184 -179 213 O ATOM 996 CB ASP A 357 41.246 60.035 35.846 1.00 9.84 C ANISOU 996 CB ASP A 357 1390 1152 1198 -165 -279 250 C ATOM 997 CG ASP A 357 41.970 60.964 36.827 1.00 17.20 C ANISOU 997 CG ASP A 357 2394 1987 2154 -178 -378 254 C ATOM 998 OD1 ASP A 357 42.286 60.547 37.966 1.00 13.27 O ANISOU 998 OD1 ASP A 357 1990 1431 1621 -197 -459 241 O ATOM 999 OD2 ASP A 357 42.257 62.129 36.451 1.00 13.47 O ANISOU 999 OD2 ASP A 357 1895 1488 1734 -176 -387 273 O ATOM 0 H ASP A 357 43.159 58.596 35.115 1.00 10.07 H new ATOM 0 HA ASP A 357 41.496 58.439 37.117 1.00 9.87 H new ATOM 0 HB2 ASP A 357 41.551 60.224 34.945 1.00 9.84 H new ATOM 0 HB3 ASP A 357 40.295 60.226 35.869 1.00 9.84 H new ATOM 1004 N GLN A 358 39.379 57.374 36.389 1.00 9.91 N ANISOU 1004 N GLN A 358 1467 1226 1071 -221 -193 212 N ATOM 1005 CA GLN A 358 38.068 56.918 35.913 1.00 9.75 C ANISOU 1005 CA GLN A 358 1406 1286 1014 -250 -123 205 C ATOM 1006 C GLN A 358 37.158 58.132 35.767 1.00 9.78 C ANISOU 1006 C GLN A 358 1365 1360 989 -212 -69 216 C ATOM 1007 O GLN A 358 37.083 58.973 36.660 1.00 10.01 O ANISOU 1007 O GLN A 358 1458 1359 985 -175 -59 222 O ATOM 1008 CB GLN A 358 37.436 55.907 36.867 1.00 10.27 C ANISOU 1008 CB GLN A 358 1540 1328 1035 -303 -101 216 C ATOM 1009 CG GLN A 358 36.162 55.322 36.319 1.00 11.57 C ANISOU 1009 CG GLN A 358 1633 1568 1195 -361 -47 218 C ATOM 1010 CD GLN A 358 35.480 54.330 37.247 1.00 12.16 C ANISOU 1010 CD GLN A 358 1761 1616 1244 -432 -9 251 C ATOM 1011 OE1 GLN A 358 36.014 53.965 38.295 1.00 15.25 O ANISOU 1011 OE1 GLN A 358 2267 1926 1602 -428 -23 272 O ATOM 1012 NE2 GLN A 358 34.311 53.854 36.837 1.00 13.39 N ANISOU 1012 NE2 GLN A 358 1832 1838 1419 -505 31 266 N ATOM 0 H GLN A 358 39.461 57.374 37.245 1.00 9.91 H new ATOM 0 HA GLN A 358 38.186 56.473 35.059 1.00 9.75 H new ATOM 0 HB2 GLN A 358 38.068 55.192 37.043 1.00 10.27 H new ATOM 0 HB3 GLN A 358 37.252 56.338 37.716 1.00 10.27 H new ATOM 0 HG2 GLN A 358 35.544 56.044 36.124 1.00 11.57 H new ATOM 0 HG3 GLN A 358 36.357 54.881 35.477 1.00 11.57 H new ATOM 0 HE21 GLN A 358 33.968 54.132 36.099 1.00 13.39 H new ATOM 0 HE22 GLN A 358 33.896 53.267 37.309 1.00 13.39 H new ATOM 1021 N AILE A 359 36.445 58.209 34.648 0.46 9.76 N ANISOU 1021 N AILE A 359 1267 1447 994 -211 -42 217 N ATOM 1022 N BILE A 359 36.437 58.212 34.657 0.54 9.76 N ANISOU 1022 N BILE A 359 1267 1447 994 -211 -41 217 N ATOM 1023 CA AILE A 359 35.471 59.265 34.450 0.46 10.01 C ANISOU 1023 CA AILE A 359 1240 1553 1009 -161 7 240 C ATOM 1024 CA BILE A 359 35.482 59.287 34.482 0.54 10.01 C ANISOU 1024 CA BILE A 359 1243 1551 1009 -159 7 240 C ATOM 1025 C AILE A 359 34.164 58.797 35.079 0.46 10.96 C ANISOU 1025 C AILE A 359 1328 1732 1104 -191 67 260 C ATOM 1026 C BILE A 359 34.157 58.823 35.066 0.54 10.70 C ANISOU 1026 C BILE A 359 1293 1700 1071 -189 68 260 C ATOM 1027 O AILE A 359 33.557 57.852 34.588 0.46 11.03 O ANISOU 1027 O AILE A 359 1270 1793 1127 -263 58 260 O ATOM 1028 O BILE A 359 33.528 57.924 34.524 0.54 11.03 O ANISOU 1028 O BILE A 359 1263 1798 1128 -258 58 260 O ATOM 1029 CB AILE A 359 35.271 59.604 32.951 0.46 9.97 C ANISOU 1029 CB AILE A 359 1145 1627 1015 -138 -6 248 C ATOM 1030 CB BILE A 359 35.335 59.687 33.009 0.54 9.94 C ANISOU 1030 CB BILE A 359 1147 1617 1013 -133 -5 249 C ATOM 1031 CG1AILE A 359 36.590 59.974 32.266 0.46 9.55 C ANISOU 1031 CG1AILE A 359 1114 1523 991 -111 -35 248 C ATOM 1032 CG1BILE A 359 36.627 60.327 32.504 0.54 12.08 C ANISOU 1032 CG1BILE A 359 1446 1830 1316 -97 -31 255 C ATOM 1033 CG2AILE A 359 34.258 60.742 32.802 0.46 13.82 C ANISOU 1033 CG2AILE A 359 1571 2186 1494 -67 36 287 C ATOM 1034 CG2BILE A 359 34.145 60.654 32.841 0.54 13.76 C ANISOU 1034 CG2BILE A 359 1557 2185 1485 -72 38 287 C ATOM 1035 CD1AILE A 359 37.318 61.106 32.907 0.46 10.17 C ANISOU 1035 CD1AILE A 359 1243 1520 1102 -71 -40 268 C ATOM 1036 CD1BILE A 359 36.622 60.575 31.059 0.54 13.32 C ANISOU 1036 CD1BILE A 359 1546 2053 1462 -69 -30 272 C ATOM 0 H AILE A 359 36.513 57.657 33.992 0.46 9.76 H new ATOM 0 H BILE A 359 36.487 57.658 34.001 0.54 9.76 H new ATOM 0 HA AILE A 359 35.786 60.082 34.868 0.46 10.01 H new ATOM 0 HA BILE A 359 35.793 60.082 34.943 0.54 10.01 H new ATOM 0 HB AILE A 359 34.930 58.809 32.512 0.46 9.94 H new ATOM 0 HB BILE A 359 35.163 58.892 32.481 0.54 9.94 H new ATOM 0 HG12AILE A 359 37.168 59.195 32.258 0.46 12.08 H new ATOM 0 HG12BILE A 359 36.769 61.166 32.970 0.54 12.08 H new ATOM 0 HG13AILE A 359 36.409 60.202 31.341 0.46 12.08 H new ATOM 0 HG13BILE A 359 37.375 59.750 32.725 0.54 12.08 H new ATOM 0 HG21AILE A 359 34.138 60.948 31.862 0.46 13.76 H new ATOM 0 HG21BILE A 359 34.059 60.902 31.907 0.54 13.76 H new ATOM 0 HG22AILE A 359 33.408 60.471 33.184 0.46 13.76 H new ATOM 0 HG22BILE A 359 33.330 60.219 33.136 0.54 13.76 H new ATOM 0 HG23AILE A 359 34.584 61.529 33.266 0.46 13.76 H new ATOM 0 HG23BILE A 359 34.297 61.450 33.374 0.54 13.76 H new ATOM 0 HD11AILE A 359 38.138 61.281 32.420 0.46 13.32 H new ATOM 0 HD11BILE A 359 37.463 60.980 30.797 0.54 13.32 H new ATOM 0 HD12AILE A 359 36.760 61.899 32.894 0.46 13.32 H new ATOM 0 HD12BILE A 359 36.507 59.736 30.587 0.54 13.32 H new ATOM 0 HD13AILE A 359 37.530 60.876 33.825 0.46 13.32 H new ATOM 0 HD13BILE A 359 35.892 61.174 30.836 0.54 13.32 H new ATOM 1059 N LEU A 360 33.735 59.434 36.160 1.00 11.16 N ANISOU 1059 N LEU A 360 1403 1744 1092 -140 133 278 N ATOM 1060 CA LEU A 360 32.534 58.995 36.849 1.00 12.09 C ANISOU 1060 CA LEU A 360 1482 1923 1191 -160 224 316 C ATOM 1061 C LEU A 360 31.313 59.596 36.227 1.00 12.77 C ANISOU 1061 C LEU A 360 1413 2130 1309 -113 277 356 C ATOM 1062 O LEU A 360 30.262 58.974 36.226 1.00 13.65 O ANISOU 1062 O LEU A 360 1408 2327 1451 -167 322 398 O ATOM 1063 CB LEU A 360 32.552 59.370 38.334 1.00 12.67 C ANISOU 1063 CB LEU A 360 1696 1934 1185 -105 296 322 C ATOM 1064 CG LEU A 360 33.754 58.850 39.138 1.00 12.32 C ANISOU 1064 CG LEU A 360 1817 1768 1096 -141 222 293 C ATOM 1065 CD1 LEU A 360 33.600 59.148 40.635 1.00 15.31 C ANISOU 1065 CD1 LEU A 360 2361 2097 1361 -88 291 301 C ATOM 1066 CD2 LEU A 360 34.002 57.363 38.942 1.00 12.15 C ANISOU 1066 CD2 LEU A 360 1779 1729 1108 -250 177 302 C ATOM 0 H ALEU A 360 34.123 60.118 36.508 0.46 11.16 H new ATOM 0 H BLEU A 360 34.130 60.107 36.521 0.54 11.16 H new ATOM 0 HA LEU A 360 32.511 58.029 36.768 1.00 12.09 H new ATOM 0 HB2 LEU A 360 32.529 60.337 38.407 1.00 12.67 H new ATOM 0 HB3 LEU A 360 31.740 59.035 38.745 1.00 12.67 H new ATOM 0 HG LEU A 360 34.524 59.327 38.791 1.00 12.32 H new ATOM 0 HD11 LEU A 360 34.372 58.808 41.114 1.00 15.31 H new ATOM 0 HD12 LEU A 360 33.533 60.106 40.769 1.00 15.31 H new ATOM 0 HD13 LEU A 360 32.798 58.718 40.970 1.00 15.31 H new ATOM 0 HD21 LEU A 360 34.769 57.090 39.470 1.00 12.15 H new ATOM 0 HD22 LEU A 360 33.220 56.864 39.226 1.00 12.15 H new ATOM 0 HD23 LEU A 360 34.176 57.185 38.005 1.00 12.15 H new ATOM 1078 N SER A 361 31.429 60.839 35.783 1.00 12.63 N ANISOU 1078 N SER A 361 1391 2115 1293 -10 273 355 N ATOM 1079 CA SER A 361 30.305 61.518 35.128 1.00 13.43 C ANISOU 1079 CA SER A 361 1342 2331 1430 61 311 404 C ATOM 1080 C SER A 361 30.741 62.700 34.267 1.00 13.07 C ANISOU 1080 C SER A 361 1310 2265 1392 151 266 404 C ATOM 1081 O SER A 361 31.823 63.257 34.461 1.00 12.52 O ANISOU 1081 O SER A 361 1372 2080 1304 173 237 371 O ATOM 1082 CB SER A 361 29.287 62.000 36.166 1.00 16.54 C ANISOU 1082 CB SER A 361 1715 2760 1807 152 454 448 C ATOM 1083 OG SER A 361 29.854 62.946 37.060 1.00 14.69 O ANISOU 1083 OG SER A 361 1663 2411 1508 253 501 414 O ATOM 0 H SER A 361 32.145 61.311 35.848 1.00 12.63 H new ATOM 0 HA SER A 361 29.899 60.861 34.541 1.00 13.43 H new ATOM 0 HB2 SER A 361 28.527 62.398 35.713 1.00 16.54 H new ATOM 0 HB3 SER A 361 28.952 61.240 36.668 1.00 16.54 H new ATOM 0 HG SER A 361 29.281 63.169 37.632 1.00 14.69 H new ATOM 1089 N VAL A 362 29.871 63.079 33.332 1.00 13.72 N ANISOU 1089 N VAL A 362 1249 2458 1506 198 254 454 N ATOM 1090 CA VAL A 362 30.090 64.250 32.485 1.00 13.73 C ANISOU 1090 CA VAL A 362 1258 2447 1511 297 224 479 C ATOM 1091 C VAL A 362 28.797 65.036 32.459 1.00 15.12 C ANISOU 1091 C VAL A 362 1313 2713 1717 424 288 549 C ATOM 1092 O VAL A 362 27.742 64.484 32.098 1.00 16.01 O ANISOU 1092 O VAL A 362 1250 2965 1868 395 274 593 O ATOM 1093 CB VAL A 362 30.556 63.874 31.046 1.00 14.01 C ANISOU 1093 CB VAL A 362 1261 2525 1536 237 115 477 C ATOM 1094 CG1 VAL A 362 29.563 63.048 30.320 1.00 20.00 C ANISOU 1094 CG1 VAL A 362 1870 3424 2304 175 54 497 C ATOM 1095 CG2 VAL A 362 30.836 65.128 30.258 1.00 17.94 C ANISOU 1095 CG2 VAL A 362 1788 2998 2029 342 102 523 C ATOM 0 H VAL A 362 29.136 62.663 33.171 1.00 13.72 H new ATOM 0 HA VAL A 362 30.811 64.784 32.854 1.00 13.73 H new ATOM 0 HB VAL A 362 31.363 63.343 31.138 1.00 14.01 H new ATOM 0 HG11 VAL A 362 29.899 62.842 29.434 1.00 20.00 H new ATOM 0 HG12 VAL A 362 29.410 62.223 30.807 1.00 20.00 H new ATOM 0 HG13 VAL A 362 28.729 63.537 30.243 1.00 20.00 H new ATOM 0 HG21 VAL A 362 31.126 64.890 29.363 1.00 17.94 H new ATOM 0 HG22 VAL A 362 30.029 65.664 30.205 1.00 17.94 H new ATOM 0 HG23 VAL A 362 31.534 65.638 30.698 1.00 17.94 H new ATOM 1105 N ASN A 363 28.862 66.300 32.878 1.00 15.54 N ANISOU 1105 N ASN A 363 1457 2683 1766 563 354 562 N ATOM 1106 CA ASN A 363 27.684 67.166 33.012 1.00 17.11 C ANISOU 1106 CA ASN A 363 1561 2942 1997 725 441 630 C ATOM 1107 C ASN A 363 26.516 66.449 33.691 1.00 18.71 C ANISOU 1107 C ASN A 363 1610 3267 2230 718 535 664 C ATOM 1108 O ASN A 363 25.366 66.587 33.267 1.00 19.60 O ANISOU 1108 O ASN A 363 1521 3517 2408 786 552 746 O ATOM 1109 CB ASN A 363 27.266 67.692 31.641 1.00 17.86 C ANISOU 1109 CB ASN A 363 1539 3124 2125 787 359 704 C ATOM 1110 CG ASN A 363 28.303 68.610 31.034 1.00 20.30 C ANISOU 1110 CG ASN A 363 1999 3304 2409 821 307 700 C ATOM 1111 OD1 ASN A 363 29.183 69.106 31.712 1.00 19.59 O ANISOU 1111 OD1 ASN A 363 2086 3054 2302 825 340 650 O ATOM 1112 ND2 ASN A 363 28.190 68.846 29.743 1.00 20.05 N ANISOU 1112 ND2 ASN A 363 1900 3342 2375 841 221 762 N ATOM 0 H ASN A 363 29.599 66.685 33.096 1.00 15.54 H new ATOM 0 HA ASN A 363 27.930 67.912 33.582 1.00 17.11 H new ATOM 0 HB2 ASN A 363 27.111 66.943 31.044 1.00 17.86 H new ATOM 0 HB3 ASN A 363 26.425 68.168 31.723 1.00 17.86 H new ATOM 0 HD21 ASN A 363 28.750 69.367 29.350 1.00 20.05 H new ATOM 0 HD22 ASN A 363 27.556 68.479 29.293 1.00 20.05 H new ATOM 1119 N GLY A 364 26.812 65.741 34.774 1.00 17.84 N ANISOU 1119 N GLY A 364 1592 3107 2080 641 598 615 N ATOM 1120 CA GLY A 364 25.788 65.073 35.573 1.00 19.08 C ANISOU 1120 CA GLY A 364 1627 3361 2260 629 720 661 C ATOM 1121 C GLY A 364 25.342 63.710 35.060 1.00 26.53 C ANISOU 1121 C GLY A 364 2389 4424 3265 448 643 690 C ATOM 1122 O GLY A 364 24.523 63.028 35.698 1.00 25.09 O ANISOU 1122 O GLY A 364 2091 4320 3121 401 740 742 O ATOM 0 H GLY A 364 27.613 65.633 35.068 1.00 17.84 H new ATOM 0 HA2 GLY A 364 26.123 64.967 36.477 1.00 19.08 H new ATOM 0 HA3 GLY A 364 25.011 65.652 35.624 1.00 19.08 H new ATOM 1126 N VAL A 365 25.844 63.326 33.896 1.00 18.69 N ANISOU 1126 N VAL A 365 1378 3442 2280 348 476 662 N ATOM 1127 CA VAL A 365 25.511 62.039 33.300 1.00 19.10 C ANISOU 1127 CA VAL A 365 1302 3578 2379 170 373 667 C ATOM 1128 C VAL A 365 26.482 60.990 33.843 1.00 17.09 C ANISOU 1128 C VAL A 365 1211 3209 2074 32 355 593 C ATOM 1129 O VAL A 365 27.691 61.066 33.626 1.00 15.67 O ANISOU 1129 O VAL A 365 1197 2920 1836 24 293 524 O ATOM 1130 CB VAL A 365 25.525 62.121 31.769 1.00 20.70 C ANISOU 1130 CB VAL A 365 1434 3844 2586 147 204 666 C ATOM 1131 CG1 VAL A 365 25.224 60.776 31.172 1.00 39.64 C ANISOU 1131 CG1 VAL A 365 3744 6303 5015 -42 80 649 C ATOM 1132 CG2 VAL A 365 24.508 63.142 31.297 1.00 33.58 C ANISOU 1132 CG2 VAL A 365 2897 5591 4271 295 212 757 C ATOM 0 H VAL A 365 26.387 63.802 33.429 1.00 18.69 H new ATOM 0 HA VAL A 365 24.608 61.780 33.542 1.00 19.10 H new ATOM 0 HB VAL A 365 26.408 62.398 31.478 1.00 20.70 H new ATOM 0 HG11 VAL A 365 25.236 60.841 30.204 1.00 39.64 H new ATOM 0 HG12 VAL A 365 25.894 60.136 31.461 1.00 39.64 H new ATOM 0 HG13 VAL A 365 24.348 60.480 31.465 1.00 39.64 H new ATOM 0 HG21 VAL A 365 24.522 63.189 30.328 1.00 33.58 H new ATOM 0 HG22 VAL A 365 23.623 62.879 31.595 1.00 33.58 H new ATOM 0 HG23 VAL A 365 24.728 64.012 31.666 1.00 33.58 H new ATOM 1142 N ASP A 366 25.937 60.060 34.613 1.00 17.89 N ANISOU 1142 N ASP A 366 1257 3333 2207 -64 424 624 N ATOM 1143 CA ASP A 366 26.711 58.975 35.228 1.00 25.80 C ANISOU 1143 CA ASP A 366 2407 4226 3168 -189 415 575 C ATOM 1144 C ASP A 366 27.339 58.074 34.155 1.00 18.48 C ANISOU 1144 C ASP A 366 1510 3265 2246 -320 247 511 C ATOM 1145 O ASP A 366 26.610 57.516 33.320 1.00 18.22 O ANISOU 1145 O ASP A 366 1332 3318 2273 -416 158 528 O ATOM 1146 CB ASP A 366 25.777 58.198 36.153 1.00 21.20 C ANISOU 1146 CB ASP A 366 1732 3690 2631 -267 534 651 C ATOM 1147 CG ASP A 366 26.438 57.044 36.891 1.00 19.97 C ANISOU 1147 CG ASP A 366 1733 3420 2436 -390 537 625 C ATOM 1148 OD1 ASP A 366 27.669 56.876 36.876 1.00 16.73 O ANISOU 1148 OD1 ASP A 366 1507 2888 1960 -395 460 547 O ATOM 1149 OD2 ASP A 366 25.678 56.273 37.533 1.00 29.37 O ANISOU 1149 OD2 ASP A 366 2847 4642 3671 -481 627 701 O ATOM 0 H ASP A 366 25.098 60.035 34.799 1.00 17.89 H new ATOM 0 HA ASP A 366 27.448 59.335 35.745 1.00 25.80 H new ATOM 0 HB2 ASP A 366 25.402 58.811 36.804 1.00 21.20 H new ATOM 0 HB3 ASP A 366 25.037 57.851 35.630 1.00 21.20 H new ATOM 1154 N LEU A 367 28.670 57.944 34.166 1.00 14.87 N ANISOU 1154 N LEU A 367 1239 2685 1728 -319 201 438 N ATOM 1155 CA LEU A 367 29.361 57.103 33.189 1.00 14.29 C ANISOU 1155 CA LEU A 367 1217 2566 1646 -410 72 373 C ATOM 1156 C LEU A 367 30.049 55.922 33.843 1.00 13.97 C ANISOU 1156 C LEU A 367 1305 2406 1596 -504 69 339 C ATOM 1157 O LEU A 367 30.802 55.231 33.207 1.00 13.52 O ANISOU 1157 O LEU A 367 1326 2283 1526 -551 -13 280 O ATOM 1158 CB LEU A 367 30.382 57.914 32.384 1.00 13.20 C ANISOU 1158 CB LEU A 367 1158 2395 1462 -317 22 331 C ATOM 1159 CG LEU A 367 29.890 59.105 31.562 1.00 14.12 C ANISOU 1159 CG LEU A 367 1182 2606 1577 -213 8 368 C ATOM 1160 CD1 LEU A 367 31.051 59.748 30.837 1.00 17.20 C ANISOU 1160 CD1 LEU A 367 1672 2939 1925 -145 -26 339 C ATOM 1161 CD2 LEU A 367 28.812 58.661 30.560 1.00 18.14 C ANISOU 1161 CD2 LEU A 367 1543 3240 2112 -279 -83 388 C ATOM 0 H LEU A 367 29.188 58.335 34.731 1.00 14.87 H new ATOM 0 HA LEU A 367 28.681 56.762 32.587 1.00 14.29 H new ATOM 0 HB2 LEU A 367 31.052 58.241 33.004 1.00 13.20 H new ATOM 0 HB3 LEU A 367 30.830 57.304 31.778 1.00 13.20 H new ATOM 0 HG LEU A 367 29.496 59.756 32.163 1.00 14.12 H new ATOM 0 HD11 LEU A 367 30.731 60.502 30.318 1.00 17.20 H new ATOM 0 HD12 LEU A 367 31.706 60.055 31.483 1.00 17.20 H new ATOM 0 HD13 LEU A 367 31.462 59.099 30.244 1.00 17.20 H new ATOM 0 HD21 LEU A 367 28.511 59.427 30.047 1.00 18.14 H new ATOM 0 HD22 LEU A 367 29.183 57.996 29.959 1.00 18.14 H new ATOM 0 HD23 LEU A 367 28.061 58.279 31.041 1.00 18.14 H new ATOM 1173 N ARG A 368 29.780 55.668 35.118 1.00 14.47 N ANISOU 1173 N ARG A 368 1402 2440 1658 -521 167 384 N ATOM 1174 CA ARG A 368 30.448 54.569 35.805 1.00 18.07 C ANISOU 1174 CA ARG A 368 1996 2774 2098 -598 161 369 C ATOM 1175 C ARG A 368 30.202 53.236 35.128 1.00 18.95 C ANISOU 1175 C ARG A 368 2084 2855 2261 -747 77 347 C ATOM 1176 O ARG A 368 31.070 52.378 35.160 1.00 17.57 O ANISOU 1176 O ARG A 368 2041 2560 2074 -783 28 304 O ATOM 1177 CB ARG A 368 29.996 54.481 37.269 1.00 15.14 C ANISOU 1177 CB ARG A 368 1665 2389 1699 -595 291 440 C ATOM 1178 CG ARG A 368 30.488 55.653 38.102 1.00 14.84 C ANISOU 1178 CG ARG A 368 1731 2328 1579 -449 355 435 C ATOM 1179 CD ARG A 368 29.906 55.663 39.521 1.00 18.85 C ANISOU 1179 CD ARG A 368 2298 2839 2025 -423 503 503 C ATOM 1180 NE ARG A 368 28.458 55.546 39.437 1.00 18.68 N ANISOU 1180 NE ARG A 368 2084 2942 2072 -462 609 585 N ATOM 1181 CZ ARG A 368 27.685 54.829 40.237 1.00 18.74 C ANISOU 1181 CZ ARG A 368 2061 2970 2089 -533 729 674 C ATOM 1182 NH1 ARG A 368 28.163 54.185 41.291 1.00 19.55 N ANISOU 1182 NH1 ARG A 368 2345 2974 2110 -560 771 697 N ATOM 1183 NH2 ARG A 368 26.396 54.790 39.984 1.00 20.35 N ANISOU 1183 NH2 ARG A 368 2040 3301 2390 -574 808 754 N ATOM 0 H ARG A 368 29.222 56.113 35.598 1.00 14.47 H new ATOM 0 HA ARG A 368 31.398 54.759 35.768 1.00 18.07 H new ATOM 0 HB2 ARG A 368 29.027 54.448 37.304 1.00 15.14 H new ATOM 0 HB3 ARG A 368 30.322 53.654 37.656 1.00 15.14 H new ATOM 0 HG2 ARG A 368 31.456 55.623 38.155 1.00 14.84 H new ATOM 0 HG3 ARG A 368 30.254 56.482 37.656 1.00 14.84 H new ATOM 0 HD2 ARG A 368 30.272 54.929 40.039 1.00 18.85 H new ATOM 0 HD3 ARG A 368 30.150 56.483 39.978 1.00 18.85 H new ATOM 0 HE ARG A 368 28.068 55.984 38.808 1.00 18.68 H new ATOM 0 HH11 ARG A 368 29.002 54.225 41.475 1.00 19.55 H new ATOM 0 HH12 ARG A 368 27.634 53.727 41.792 1.00 19.55 H new ATOM 0 HH21 ARG A 368 26.076 55.223 39.313 1.00 20.35 H new ATOM 0 HH22 ARG A 368 25.872 54.331 40.489 1.00 20.35 H new ATOM 1197 N ASN A 369 29.038 53.065 34.504 1.00 16.12 N ANISOU 1197 N ASN A 369 1562 2597 1964 -829 49 375 N ATOM 1198 CA ASN A 369 28.702 51.789 33.856 1.00 17.15 C ANISOU 1198 CA ASN A 369 1683 2685 2146 -995 -54 347 C ATOM 1199 C ASN A 369 28.458 51.961 32.354 1.00 17.41 C ANISOU 1199 C ASN A 369 1647 2791 2176 -1008 -191 287 C ATOM 1200 O ASN A 369 27.720 51.203 31.741 1.00 18.82 O ANISOU 1200 O ASN A 369 1759 2987 2407 -1150 -291 276 O ATOM 1201 CB ASN A 369 27.487 51.170 34.540 1.00 18.92 C ANISOU 1201 CB ASN A 369 1782 2947 2460 -1132 9 444 C ATOM 1202 CG ASN A 369 27.787 50.850 35.991 1.00 33.33 C ANISOU 1202 CG ASN A 369 3719 4685 4258 -1121 144 506 C ATOM 1203 OD1 ASN A 369 28.528 49.911 36.274 1.00 28.79 O ANISOU 1203 OD1 ASN A 369 3311 3964 3665 -1173 114 478 O ATOM 1204 ND2 ASN A 369 27.282 51.664 36.906 1.00 31.50 N ANISOU 1204 ND2 ASN A 369 3422 4539 4009 -1033 293 588 N ATOM 0 H ASN A 369 28.429 53.669 34.442 1.00 16.12 H new ATOM 0 HA ASN A 369 29.459 51.191 33.951 1.00 17.15 H new ATOM 0 HB2 ASN A 369 26.736 51.782 34.488 1.00 18.92 H new ATOM 0 HB3 ASN A 369 27.226 50.360 34.074 1.00 18.92 H new ATOM 0 HD21 ASN A 369 27.469 51.546 37.737 1.00 31.50 H new ATOM 0 HD22 ASN A 369 26.767 52.311 36.669 1.00 31.50 H new ATOM 1211 N ALA A 370 29.118 52.951 31.778 1.00 16.23 N ANISOU 1211 N ALA A 370 1530 2676 1960 -865 -201 250 N ATOM 1212 CA ALA A 370 28.969 53.262 30.366 1.00 17.91 C ANISOU 1212 CA ALA A 370 1705 2964 2135 -847 -317 205 C ATOM 1213 C ALA A 370 29.751 52.299 29.476 1.00 17.47 C ANISOU 1213 C ALA A 370 1812 2803 2022 -895 -416 98 C ATOM 1214 O ALA A 370 30.795 51.768 29.882 1.00 16.05 O ANISOU 1214 O ALA A 370 1781 2493 1825 -872 -375 59 O ATOM 1215 CB ALA A 370 29.433 54.692 30.107 1.00 15.42 C ANISOU 1215 CB ALA A 370 1382 2709 1769 -674 -271 222 C ATOM 0 H ALA A 370 29.667 53.464 32.195 1.00 16.23 H new ATOM 0 HA ALA A 370 28.030 53.167 30.142 1.00 17.91 H new ATOM 0 HB1 ALA A 370 29.333 54.899 29.165 1.00 15.42 H new ATOM 0 HB2 ALA A 370 28.896 55.307 30.631 1.00 15.42 H new ATOM 0 HB3 ALA A 370 30.365 54.781 30.360 1.00 15.42 H new ATOM 1221 N SER A 371 29.254 52.106 28.262 1.00 17.68 N ANISOU 1221 N SER A 371 1817 2888 2013 -945 -548 53 N ATOM 1222 CA SER A 371 30.057 51.526 27.221 1.00 17.82 C ANISOU 1222 CA SER A 371 2012 2825 1933 -932 -624 -55 C ATOM 1223 C SER A 371 31.001 52.610 26.701 1.00 20.27 C ANISOU 1223 C SER A 371 2370 3174 2157 -752 -561 -55 C ATOM 1224 O SER A 371 30.704 53.809 26.790 1.00 16.07 O ANISOU 1224 O SER A 371 1723 2748 1634 -667 -520 20 O ATOM 1225 CB SER A 371 29.187 50.972 26.103 1.00 26.87 C ANISOU 1225 CB SER A 371 3149 4016 3044 -1049 -802 -111 C ATOM 1226 OG SER A 371 28.480 52.021 25.491 1.00 27.72 O ANISOU 1226 OG SER A 371 3114 4292 3128 -993 -856 -55 O ATOM 0 H SER A 371 28.451 52.307 28.028 1.00 17.68 H new ATOM 0 HA SER A 371 30.569 50.780 27.571 1.00 17.82 H new ATOM 0 HB2 SER A 371 29.738 50.516 25.448 1.00 26.87 H new ATOM 0 HB3 SER A 371 28.567 50.316 26.458 1.00 26.87 H new ATOM 0 HG SER A 371 28.625 52.011 24.664 1.00 27.72 H new ATOM 1232 N ALA A 372 32.143 52.188 26.187 1.00 17.57 N ANISOU 1232 N ALA A 372 2197 2737 1742 -690 -542 -129 N ATOM 1233 CA ALA A 372 33.151 53.112 25.677 1.00 18.45 C ANISOU 1233 CA ALA A 372 2351 2873 1787 -533 -467 -115 C ATOM 1234 C ALA A 372 32.598 54.000 24.574 1.00 15.96 C ANISOU 1234 C ALA A 372 1986 2693 1385 -482 -527 -91 C ATOM 1235 O ALA A 372 32.830 55.223 24.565 1.00 15.21 O ANISOU 1235 O ALA A 372 1829 2660 1289 -377 -461 -16 O ATOM 1236 CB ALA A 372 34.350 52.335 25.167 1.00 15.47 C ANISOU 1236 CB ALA A 372 2148 2381 1349 -478 -432 -196 C ATOM 0 H ALA A 372 32.360 51.358 26.122 1.00 17.57 H new ATOM 0 HA ALA A 372 33.422 53.688 26.409 1.00 18.45 H new ATOM 0 HB1 ALA A 372 35.017 52.953 24.829 1.00 15.47 H new ATOM 0 HB2 ALA A 372 34.730 51.814 25.892 1.00 15.47 H new ATOM 0 HB3 ALA A 372 34.071 51.740 24.454 1.00 15.47 H new ATOM 1242 N GLU A 373 31.872 53.410 23.627 1.00 17.84 N ANISOU 1242 N GLU A 373 2264 2968 1545 -557 -665 -151 N ATOM 1243 CA GLU A 373 31.387 54.195 22.499 1.00 24.31 C ANISOU 1243 CA GLU A 373 3062 3918 2258 -500 -744 -125 C ATOM 1244 C GLU A 373 30.372 55.221 22.955 1.00 19.82 C ANISOU 1244 C GLU A 373 2280 3474 1777 -492 -758 -12 C ATOM 1245 O GLU A 373 30.431 56.366 22.530 1.00 19.79 O ANISOU 1245 O GLU A 373 2241 3548 1730 -374 -729 59 O ATOM 1246 CB GLU A 373 30.782 53.335 21.400 1.00 29.45 C ANISOU 1246 CB GLU A 373 3815 4582 2794 -590 -924 -220 C ATOM 1247 CG GLU A 373 30.165 54.179 20.291 1.00 39.69 C ANISOU 1247 CG GLU A 373 5082 6025 3974 -531 -1032 -177 C ATOM 1248 CD GLU A 373 29.972 53.403 18.993 1.00 47.92 C ANISOU 1248 CD GLU A 373 6304 7024 4879 -539 -1164 -291 C ATOM 1249 OE1 GLU A 373 30.712 52.412 18.785 1.00 47.39 O ANISOU 1249 OE1 GLU A 373 6430 6837 4741 -553 -1137 -406 O ATOM 1250 OE2 GLU A 373 29.096 53.794 18.186 1.00 63.45 O ANISOU 1250 OE2 GLU A 373 8225 9074 6809 -517 -1291 -270 O ATOM 0 H GLU A 373 31.654 52.578 23.618 1.00 17.84 H new ATOM 0 HA GLU A 373 32.162 54.644 22.127 1.00 24.31 H new ATOM 0 HB2 GLU A 373 31.468 52.761 21.025 1.00 29.45 H new ATOM 0 HB3 GLU A 373 30.103 52.755 21.780 1.00 29.45 H new ATOM 0 HG2 GLU A 373 29.307 54.520 20.589 1.00 39.69 H new ATOM 0 HG3 GLU A 373 30.732 54.947 20.122 1.00 39.69 H new ATOM 1257 N GLN A 374 29.467 54.833 23.847 1.00 19.41 N ANISOU 1257 N GLN A 374 2089 3433 1854 -606 -785 15 N ATOM 1258 CA GLN A 374 28.455 55.739 24.320 1.00 18.83 C ANISOU 1258 CA GLN A 374 1804 3479 1873 -581 -776 125 C ATOM 1259 C GLN A 374 29.065 56.827 25.226 1.00 17.24 C ANISOU 1259 C GLN A 374 1582 3251 1719 -447 -602 194 C ATOM 1260 O GLN A 374 28.608 57.965 25.255 1.00 17.22 O ANISOU 1260 O GLN A 374 1473 3331 1738 -347 -573 279 O ATOM 1261 CB GLN A 374 27.374 54.928 25.022 1.00 40.40 C ANISOU 1261 CB GLN A 374 4392 6226 4732 -743 -827 143 C ATOM 1262 CG GLN A 374 26.010 55.531 25.026 1.00 39.11 C ANISOU 1262 CG GLN A 374 4009 6189 4663 -731 -865 239 C ATOM 1263 CD GLN A 374 25.432 55.885 23.642 1.00 22.87 C ANISOU 1263 CD GLN A 374 1953 4200 2539 -683 -1013 232 C ATOM 1264 OE1 GLN A 374 25.383 55.081 22.681 1.00 24.14 O ANISOU 1264 OE1 GLN A 374 2229 4316 2627 -756 -1155 140 O ATOM 1265 NE2 GLN A 374 24.968 57.109 23.549 1.00 23.03 N ANISOU 1265 NE2 GLN A 374 1855 4317 2579 -549 -981 327 N ATOM 0 H GLN A 374 29.430 54.044 24.187 1.00 19.41 H new ATOM 0 HA GLN A 374 28.052 56.212 23.575 1.00 18.83 H new ATOM 0 HB2 GLN A 374 27.322 54.056 24.600 1.00 40.40 H new ATOM 0 HB3 GLN A 374 27.648 54.783 25.941 1.00 40.40 H new ATOM 0 HG2 GLN A 374 25.403 54.914 25.464 1.00 39.11 H new ATOM 0 HG3 GLN A 374 26.032 56.337 25.565 1.00 39.11 H new ATOM 0 HE21 GLN A 374 25.015 57.639 24.225 1.00 23.03 H new ATOM 0 HE22 GLN A 374 24.617 57.381 22.812 1.00 23.03 H new ATOM 1274 N ALA A 375 30.118 56.489 25.957 1.00 15.84 N ANISOU 1274 N ALA A 375 1515 2947 1557 -441 -498 157 N ATOM 1275 CA ALA A 375 30.824 57.486 26.738 1.00 14.49 C ANISOU 1275 CA ALA A 375 1355 2732 1417 -329 -366 206 C ATOM 1276 C ALA A 375 31.472 58.543 25.819 1.00 14.62 C ANISOU 1276 C ALA A 375 1424 2772 1360 -203 -351 235 C ATOM 1277 O ALA A 375 31.488 59.744 26.134 1.00 13.82 O ANISOU 1277 O ALA A 375 1281 2682 1288 -107 -287 305 O ATOM 1278 CB ALA A 375 31.894 56.835 27.586 1.00 13.45 C ANISOU 1278 CB ALA A 375 1334 2464 1312 -355 -296 162 C ATOM 0 H ALA A 375 30.437 55.692 26.013 1.00 15.84 H new ATOM 0 HA ALA A 375 30.179 57.922 27.316 1.00 14.49 H new ATOM 0 HB1 ALA A 375 32.356 57.514 28.102 1.00 13.45 H new ATOM 0 HB2 ALA A 375 31.484 56.195 28.189 1.00 13.45 H new ATOM 0 HB3 ALA A 375 32.528 56.378 27.012 1.00 13.45 H new ATOM 1284 N ALA A 376 32.061 58.076 24.728 1.00 14.58 N ANISOU 1284 N ALA A 376 1529 2756 1255 -202 -394 182 N ATOM 1285 CA ALA A 376 32.685 58.964 23.773 1.00 14.63 C ANISOU 1285 CA ALA A 376 1595 2787 1178 -90 -364 222 C ATOM 1286 C ALA A 376 31.630 59.920 23.227 1.00 15.57 C ANISOU 1286 C ALA A 376 1617 3027 1271 -34 -430 302 C ATOM 1287 O ALA A 376 31.848 61.122 23.083 1.00 15.38 O ANISOU 1287 O ALA A 376 1585 3012 1249 71 -373 384 O ATOM 1288 CB ALA A 376 33.330 58.185 22.681 1.00 15.29 C ANISOU 1288 CB ALA A 376 1822 2852 1137 -91 -389 150 C ATOM 0 H ALA A 376 32.108 57.242 24.525 1.00 14.58 H new ATOM 0 HA ALA A 376 33.382 59.480 24.208 1.00 14.63 H new ATOM 0 HB1 ALA A 376 33.743 58.794 22.049 1.00 15.29 H new ATOM 0 HB2 ALA A 376 34.007 57.601 23.056 1.00 15.29 H new ATOM 0 HB3 ALA A 376 32.660 57.652 22.224 1.00 15.29 H new ATOM 1294 N ILE A 377 30.464 59.373 22.910 1.00 16.81 N ANISOU 1294 N ILE A 377 1697 3273 1417 -108 -561 284 N ATOM 1295 CA ILE A 377 29.383 60.191 22.389 1.00 18.02 C ANISOU 1295 CA ILE A 377 1733 3555 1560 -52 -646 369 C ATOM 1296 C ILE A 377 29.030 61.285 23.372 1.00 17.45 C ANISOU 1296 C ILE A 377 1539 3485 1608 34 -546 461 C ATOM 1297 O ILE A 377 28.845 62.438 22.990 1.00 17.86 O ANISOU 1297 O ILE A 377 1565 3576 1644 156 -535 549 O ATOM 1298 CB ILE A 377 28.151 59.324 22.061 1.00 19.69 C ANISOU 1298 CB ILE A 377 1844 3854 1781 -173 -818 338 C ATOM 1299 CG1 ILE A 377 28.489 58.432 20.867 1.00 21.46 C ANISOU 1299 CG1 ILE A 377 2248 4045 1860 -226 -925 235 C ATOM 1300 CG2 ILE A 377 26.893 60.226 21.757 1.00 21.78 C ANISOU 1300 CG2 ILE A 377 1957 4205 2112 -101 -873 432 C ATOM 1301 CD1 ILE A 377 27.476 57.351 20.572 1.00 34.19 C ANISOU 1301 CD1 ILE A 377 3827 5655 3510 -367 -1086 166 C ATOM 0 H ILE A 377 30.280 58.537 22.989 1.00 16.81 H new ATOM 0 HA ILE A 377 29.681 60.607 21.565 1.00 18.02 H new ATOM 0 HB ILE A 377 27.927 58.771 22.826 1.00 19.69 H new ATOM 0 HG12 ILE A 377 28.585 58.991 20.080 1.00 21.46 H new ATOM 0 HG13 ILE A 377 29.350 58.015 21.025 1.00 21.46 H new ATOM 0 HG21 ILE A 377 26.131 59.661 21.554 1.00 21.78 H new ATOM 0 HG22 ILE A 377 26.692 60.773 22.532 1.00 21.78 H new ATOM 0 HG23 ILE A 377 27.082 60.799 20.998 1.00 21.78 H new ATOM 0 HD11 ILE A 377 27.767 56.835 19.804 1.00 34.19 H new ATOM 0 HD12 ILE A 377 27.393 56.766 21.341 1.00 34.19 H new ATOM 0 HD13 ILE A 377 26.616 57.757 20.381 1.00 34.19 H new ATOM 1313 N ALA A 378 28.898 60.897 24.632 1.00 16.76 N ANISOU 1313 N ALA A 378 1393 3346 1630 -25 -472 441 N ATOM 1314 CA ALA A 378 28.519 61.818 25.695 1.00 16.74 C ANISOU 1314 CA ALA A 378 1301 3333 1725 59 -364 509 C ATOM 1315 C ALA A 378 29.522 62.934 25.850 1.00 15.47 C ANISOU 1315 C ALA A 378 1254 3074 1551 173 -264 537 C ATOM 1316 O ALA A 378 29.154 64.090 25.999 1.00 15.86 O ANISOU 1316 O ALA A 378 1264 3132 1632 292 -221 612 O ATOM 1317 CB ALA A 378 28.394 61.092 26.993 1.00 19.59 C ANISOU 1317 CB ALA A 378 1633 3643 2168 -27 -292 475 C ATOM 0 H ALA A 378 29.026 60.089 24.897 1.00 16.76 H new ATOM 0 HA ALA A 378 27.664 62.203 25.448 1.00 16.74 H new ATOM 0 HB1 ALA A 378 28.142 61.717 27.691 1.00 19.59 H new ATOM 0 HB2 ALA A 378 27.715 60.404 26.915 1.00 19.59 H new ATOM 0 HB3 ALA A 378 29.244 60.683 27.218 1.00 19.59 H new ATOM 1323 N LEU A 379 30.801 62.562 25.813 1.00 14.40 N ANISOU 1323 N LEU A 379 1255 2837 1380 135 -230 480 N ATOM 1324 CA LEU A 379 31.863 63.551 25.935 1.00 13.67 C ANISOU 1324 CA LEU A 379 1256 2643 1295 212 -149 512 C ATOM 1325 C LEU A 379 31.911 64.476 24.728 1.00 14.43 C ANISOU 1325 C LEU A 379 1376 2780 1325 305 -170 590 C ATOM 1326 O LEU A 379 32.035 65.692 24.866 1.00 14.54 O ANISOU 1326 O LEU A 379 1409 2743 1375 397 -118 661 O ATOM 1327 CB LEU A 379 33.207 62.840 26.137 1.00 12.67 C ANISOU 1327 CB LEU A 379 1232 2416 1167 146 -114 448 C ATOM 1328 CG LEU A 379 33.349 62.205 27.527 1.00 11.93 C ANISOU 1328 CG LEU A 379 1143 2250 1141 78 -83 395 C ATOM 1329 CD1 LEU A 379 34.386 61.084 27.594 1.00 11.35 C ANISOU 1329 CD1 LEU A 379 1143 2107 1062 5 -85 328 C ATOM 1330 CD2 LEU A 379 33.728 63.287 28.507 1.00 12.54 C ANISOU 1330 CD2 LEU A 379 1254 2233 1276 136 -19 426 C ATOM 0 H LEU A 379 31.070 61.751 25.719 1.00 14.40 H new ATOM 0 HA LEU A 379 31.678 64.106 26.709 1.00 13.67 H new ATOM 0 HB2 LEU A 379 33.307 62.152 25.461 1.00 12.67 H new ATOM 0 HB3 LEU A 379 33.927 63.476 26.003 1.00 12.67 H new ATOM 0 HG LEU A 379 32.495 61.799 27.743 1.00 11.93 H new ATOM 0 HD11 LEU A 379 34.423 60.730 28.497 1.00 11.35 H new ATOM 0 HD12 LEU A 379 34.137 60.376 26.980 1.00 11.35 H new ATOM 0 HD13 LEU A 379 35.257 61.433 27.348 1.00 11.35 H new ATOM 0 HD21 LEU A 379 33.822 62.903 29.393 1.00 12.54 H new ATOM 0 HD22 LEU A 379 34.569 63.688 28.238 1.00 12.54 H new ATOM 0 HD23 LEU A 379 33.037 63.967 28.522 1.00 12.54 H new ATOM 1342 N LYS A 380 31.787 63.905 23.536 1.00 15.17 N ANISOU 1342 N LYS A 380 1492 2958 1314 284 -250 577 N ATOM 1343 CA LYS A 380 31.900 64.717 22.333 1.00 18.14 C ANISOU 1343 CA LYS A 380 1919 3375 1597 376 -267 659 C ATOM 1344 C LYS A 380 30.738 65.710 22.219 1.00 21.88 C ANISOU 1344 C LYS A 380 2295 3923 2095 476 -314 755 C ATOM 1345 O LYS A 380 30.876 66.777 21.613 1.00 18.87 O ANISOU 1345 O LYS A 380 1964 3515 1691 571 -287 840 O ATOM 1346 CB LYS A 380 31.972 63.813 21.094 1.00 18.08 C ANISOU 1346 CB LYS A 380 1988 3444 1438 338 -350 611 C ATOM 1347 CG LYS A 380 33.295 63.131 20.911 1.00 23.44 C ANISOU 1347 CG LYS A 380 2788 4043 2076 300 -269 548 C ATOM 1348 CD LYS A 380 33.257 62.254 19.696 1.00 27.98 C ANISOU 1348 CD LYS A 380 3469 4685 2479 283 -346 489 C ATOM 1349 CE LYS A 380 34.611 61.887 19.225 1.00 42.15 C ANISOU 1349 CE LYS A 380 5393 6414 4208 306 -229 463 C ATOM 1350 NZ LYS A 380 34.511 61.161 17.942 1.00 46.24 N ANISOU 1350 NZ LYS A 380 6053 6996 4520 320 -296 404 N ATOM 0 H LYS A 380 31.641 63.068 23.403 1.00 15.17 H new ATOM 0 HA LYS A 380 32.718 65.234 22.390 1.00 18.14 H new ATOM 0 HB2 LYS A 380 31.277 63.139 21.156 1.00 18.08 H new ATOM 0 HB3 LYS A 380 31.781 64.345 20.306 1.00 18.08 H new ATOM 0 HG2 LYS A 380 33.998 63.793 20.819 1.00 23.44 H new ATOM 0 HG3 LYS A 380 33.505 62.600 21.695 1.00 23.44 H new ATOM 0 HD2 LYS A 380 32.757 61.447 19.898 1.00 27.98 H new ATOM 0 HD3 LYS A 380 32.782 62.711 18.984 1.00 27.98 H new ATOM 0 HE2 LYS A 380 35.152 62.685 19.114 1.00 42.15 H new ATOM 0 HE3 LYS A 380 35.054 61.333 19.887 1.00 42.15 H new ATOM 0 HZ1 LYS A 380 35.136 60.528 17.909 1.00 46.24 H new ATOM 0 HZ2 LYS A 380 33.706 60.787 17.874 1.00 46.24 H new ATOM 0 HZ3 LYS A 380 34.631 61.730 17.268 1.00 46.24 H new ATOM 1364 N ASN A 381 29.593 65.359 22.800 1.00 17.59 N ANISOU 1364 N ASN A 381 1612 3453 1619 450 -369 740 N ATOM 1365 CA ASN A 381 28.384 66.175 22.712 1.00 18.94 C ANISOU 1365 CA ASN A 381 1670 3683 1844 542 -399 815 C ATOM 1366 C ASN A 381 28.070 66.969 23.997 1.00 18.64 C ANISOU 1366 C ASN A 381 1563 3593 1926 630 -291 858 C ATOM 1367 O ASN A 381 26.954 67.468 24.185 1.00 19.86 O ANISOU 1367 O ASN A 381 1606 3792 2150 701 -288 903 O ATOM 1368 CB ASN A 381 27.201 65.279 22.355 1.00 27.98 C ANISOU 1368 CB ASN A 381 2692 4942 2997 456 -529 780 C ATOM 1369 CG ASN A 381 27.218 64.852 20.900 1.00 38.40 C ANISOU 1369 CG ASN A 381 4101 6301 4187 418 -659 751 C ATOM 1370 OD1 ASN A 381 26.775 65.597 20.022 1.00 57.94 O ANISOU 1370 OD1 ASN A 381 6590 8801 6623 500 -713 813 O ATOM 1371 ND2 ASN A 381 27.744 63.658 20.632 1.00 45.17 N ANISOU 1371 ND2 ASN A 381 5041 7154 4967 301 -709 655 N ATOM 0 H ASN A 381 29.495 64.638 23.258 1.00 17.59 H new ATOM 0 HA ASN A 381 28.543 66.837 22.021 1.00 18.94 H new ATOM 0 HB2 ASN A 381 27.213 64.491 22.921 1.00 27.98 H new ATOM 0 HB3 ASN A 381 26.374 65.750 22.542 1.00 27.98 H new ATOM 0 HD21 ASN A 381 27.785 63.379 19.820 1.00 45.17 H new ATOM 0 HD22 ASN A 381 28.043 63.166 21.271 1.00 45.17 H new ATOM 1378 N ALA A 382 29.072 67.135 24.852 1.00 17.27 N ANISOU 1378 N ALA A 382 1494 3283 1785 614 -184 819 N ATOM 1379 CA ALA A 382 28.876 67.713 26.165 1.00 17.05 C ANISOU 1379 CA ALA A 382 1459 3171 1849 674 -77 816 C ATOM 1380 C ALA A 382 28.796 69.240 26.178 1.00 24.87 C ANISOU 1380 C ALA A 382 2500 4079 2869 838 -21 901 C ATOM 1381 O ALA A 382 28.491 69.836 27.214 1.00 32.96 O ANISOU 1381 O ALA A 382 3538 5030 3955 918 69 897 O ATOM 1382 CB ALA A 382 29.999 67.248 27.092 1.00 17.89 C ANISOU 1382 CB ALA A 382 1682 3145 1970 576 -12 725 C ATOM 0 H ALA A 382 29.886 66.914 24.682 1.00 17.27 H new ATOM 0 HA ALA A 382 28.011 67.401 26.474 1.00 17.05 H new ATOM 0 HB1 ALA A 382 29.872 67.633 27.973 1.00 17.89 H new ATOM 0 HB2 ALA A 382 29.985 66.280 27.157 1.00 17.89 H new ATOM 0 HB3 ALA A 382 30.854 67.535 26.735 1.00 17.89 H new ATOM 1388 N GLY A 383 29.059 69.879 25.047 1.00 22.88 N ANISOU 1388 N GLY A 383 2301 3828 2566 893 -66 977 N ATOM 1389 CA GLY A 383 28.984 71.324 24.978 1.00 24.11 C ANISOU 1389 CA GLY A 383 2533 3871 2758 1018 -12 1042 C ATOM 1390 C GLY A 383 30.336 71.940 25.219 1.00 19.83 C ANISOU 1390 C GLY A 383 2157 3148 2230 1001 47 1049 C ATOM 1391 O GLY A 383 31.336 71.230 25.366 1.00 19.29 O ANISOU 1391 O GLY A 383 2136 3047 2147 876 51 989 O ATOM 0 H GLY A 383 29.282 69.493 24.311 1.00 22.88 H new ATOM 0 HA2 GLY A 383 28.651 71.594 24.108 1.00 24.11 H new ATOM 0 HA3 GLY A 383 28.352 71.651 25.637 1.00 24.11 H new ATOM 1395 N GLN A 384 30.368 73.263 25.281 1.00 19.49 N ANISOU 1395 N GLN A 384 2205 2967 2232 1094 95 1098 N ATOM 1396 CA GLN A 384 31.626 73.995 25.290 1.00 20.70 C ANISOU 1396 CA GLN A 384 2512 2936 2418 1053 132 1120 C ATOM 1397 C GLN A 384 32.258 73.930 26.669 1.00 20.71 C ANISOU 1397 C GLN A 384 2592 2797 2480 1008 173 1044 C ATOM 1398 O GLN A 384 33.471 73.982 26.815 1.00 19.25 O ANISOU 1398 O GLN A 384 2492 2494 2329 897 177 1024 O ATOM 1399 CB GLN A 384 31.385 75.446 24.869 1.00 20.86 C ANISOU 1399 CB GLN A 384 2611 2843 2470 1151 153 1191 C ATOM 1400 CG GLN A 384 30.684 75.539 23.508 1.00 31.84 C ANISOU 1400 CG GLN A 384 3937 4370 3792 1197 99 1261 C ATOM 1401 CD GLN A 384 30.056 76.900 23.235 1.00 36.42 C ANISOU 1401 CD GLN A 384 4566 4865 4406 1328 111 1334 C ATOM 1402 OE1 GLN A 384 30.677 77.763 22.614 1.00 40.49 O ANISOU 1402 OE1 GLN A 384 5189 5268 4926 1323 123 1402 O ATOM 1403 NE2 GLN A 384 28.806 77.094 23.693 1.00 32.77 N ANISOU 1403 NE2 GLN A 384 4017 4459 3974 1447 114 1327 N ATOM 0 H GLN A 384 29.667 73.760 25.319 1.00 19.49 H new ATOM 0 HA GLN A 384 32.238 73.588 24.657 1.00 20.70 H new ATOM 0 HB2 GLN A 384 30.846 75.892 25.541 1.00 20.86 H new ATOM 0 HB3 GLN A 384 32.233 75.915 24.828 1.00 20.86 H new ATOM 0 HG2 GLN A 384 31.326 75.342 22.808 1.00 31.84 H new ATOM 0 HG3 GLN A 384 29.995 74.858 23.461 1.00 31.84 H new ATOM 0 HE21 GLN A 384 28.404 76.467 24.123 1.00 32.77 H new ATOM 0 HE22 GLN A 384 28.409 77.845 23.556 1.00 32.77 H new ATOM 1412 N THR A 385 31.410 73.853 27.683 1.00 18.74 N ANISOU 1412 N THR A 385 2313 2561 2248 1075 207 982 N ATOM 1413 CA THR A 385 31.883 73.759 29.050 1.00 18.17 C ANISOU 1413 CA THR A 385 2340 2362 2203 1018 242 873 C ATOM 1414 C THR A 385 31.587 72.364 29.575 1.00 17.14 C ANISOU 1414 C THR A 385 2104 2370 2037 929 237 790 C ATOM 1415 O THR A 385 30.444 71.947 29.635 1.00 20.46 O ANISOU 1415 O THR A 385 2397 2932 2445 992 258 799 O ATOM 1416 CB THR A 385 31.224 74.807 29.939 1.00 32.80 C ANISOU 1416 CB THR A 385 4292 4089 4082 1176 311 862 C ATOM 1417 OG1 THR A 385 31.468 76.109 29.392 1.00 32.53 O ANISOU 1417 OG1 THR A 385 4367 3904 4088 1260 310 947 O ATOM 1418 CG2 THR A 385 31.773 74.728 31.346 1.00 26.09 C ANISOU 1418 CG2 THR A 385 3586 3099 3227 1116 333 741 C ATOM 0 H THR A 385 30.554 73.854 27.599 1.00 18.74 H new ATOM 0 HA THR A 385 32.839 73.925 29.064 1.00 18.17 H new ATOM 0 HB THR A 385 30.269 74.640 29.973 1.00 32.80 H new ATOM 0 HG1 THR A 385 31.105 76.690 29.878 1.00 32.53 H new ATOM 0 HG21 THR A 385 31.345 75.400 31.899 1.00 26.09 H new ATOM 0 HG22 THR A 385 31.597 73.848 31.713 1.00 26.09 H new ATOM 0 HG23 THR A 385 32.730 74.886 31.329 1.00 26.09 H new ATOM 1426 N VAL A 386 32.637 71.624 29.930 1.00 15.73 N ANISOU 1426 N VAL A 386 1969 2150 1857 779 206 720 N ATOM 1427 CA VAL A 386 32.486 70.207 30.263 1.00 14.79 C ANISOU 1427 CA VAL A 386 1763 2150 1706 681 193 654 C ATOM 1428 C VAL A 386 32.851 69.983 31.740 1.00 17.10 C ANISOU 1428 C VAL A 386 2162 2339 1997 638 218 564 C ATOM 1429 O VAL A 386 33.978 70.252 32.161 1.00 16.95 O ANISOU 1429 O VAL A 386 2260 2178 2000 571 182 530 O ATOM 1430 CB VAL A 386 33.336 69.360 29.322 1.00 14.49 C ANISOU 1430 CB VAL A 386 1685 2170 1652 563 135 657 C ATOM 1431 CG1 VAL A 386 33.120 67.883 29.572 1.00 24.06 C ANISOU 1431 CG1 VAL A 386 2822 3486 2834 468 114 592 C ATOM 1432 CG2 VAL A 386 32.987 69.740 27.882 1.00 15.33 C ANISOU 1432 CG2 VAL A 386 1734 2365 1728 624 111 750 C ATOM 0 H VAL A 386 33.442 71.921 29.984 1.00 15.73 H new ATOM 0 HA VAL A 386 31.563 69.932 30.144 1.00 14.79 H new ATOM 0 HB VAL A 386 34.276 69.534 29.483 1.00 14.49 H new ATOM 0 HG11 VAL A 386 33.671 67.367 28.962 1.00 24.06 H new ATOM 0 HG12 VAL A 386 33.364 67.670 30.486 1.00 24.06 H new ATOM 0 HG13 VAL A 386 32.186 67.663 29.428 1.00 24.06 H new ATOM 0 HG21 VAL A 386 33.520 69.210 27.269 1.00 15.33 H new ATOM 0 HG22 VAL A 386 32.046 69.570 27.722 1.00 15.33 H new ATOM 0 HG23 VAL A 386 33.174 70.681 27.741 1.00 15.33 H new ATOM 1442 N THR A 387 31.888 69.506 32.526 1.00 14.79 N ANISOU 1442 N THR A 387 1824 2120 1675 677 276 535 N ATOM 1443 CA THR A 387 32.107 69.284 33.953 1.00 14.78 C ANISOU 1443 CA THR A 387 1944 2032 1638 655 311 457 C ATOM 1444 C THR A 387 32.253 67.777 34.174 1.00 13.83 C ANISOU 1444 C THR A 387 1757 2002 1498 524 286 423 C ATOM 1445 O THR A 387 31.292 67.022 34.031 1.00 16.18 O ANISOU 1445 O THR A 387 1917 2438 1791 518 321 446 O ATOM 1446 CB THR A 387 30.949 69.876 34.789 1.00 16.19 C ANISOU 1446 CB THR A 387 2149 2213 1788 811 431 460 C ATOM 1447 OG1 THR A 387 30.900 71.288 34.571 1.00 18.40 O ANISOU 1447 OG1 THR A 387 2520 2379 2092 941 449 487 O ATOM 1448 CG2 THR A 387 31.147 69.615 36.248 1.00 20.32 C ANISOU 1448 CG2 THR A 387 2827 2654 2239 797 477 381 C ATOM 0 H THR A 387 31.099 69.304 32.251 1.00 14.79 H new ATOM 0 HA THR A 387 32.914 69.736 34.246 1.00 14.78 H new ATOM 0 HB THR A 387 30.120 69.455 34.513 1.00 16.19 H new ATOM 0 HG1 THR A 387 30.405 71.453 33.913 1.00 18.40 H new ATOM 0 HG21 THR A 387 30.408 69.996 36.748 1.00 20.32 H new ATOM 0 HG22 THR A 387 31.183 68.658 36.404 1.00 20.32 H new ATOM 0 HG23 THR A 387 31.978 70.021 36.540 1.00 20.32 H new ATOM 1456 N ILE A 388 33.474 67.366 34.493 1.00 12.85 N ANISOU 1456 N ILE A 388 1331 1999 1553 -45 -216 667 N ATOM 1457 CA ILE A 388 33.807 65.971 34.724 1.00 12.33 C ANISOU 1457 CA ILE A 388 1274 1954 1457 -129 -225 631 C ATOM 1458 C ILE A 388 33.991 65.725 36.211 1.00 13.06 C ANISOU 1458 C ILE A 388 1376 2033 1555 -90 -204 581 C ATOM 1459 O ILE A 388 34.665 66.491 36.872 1.00 12.14 O ANISOU 1459 O ILE A 388 1291 1847 1474 -24 -203 525 O ATOM 1460 CB ILE A 388 35.084 65.619 33.946 1.00 11.91 C ANISOU 1460 CB ILE A 388 1285 1830 1411 -186 -220 602 C ATOM 1461 CG1 ILE A 388 34.739 65.572 32.453 1.00 12.40 C ANISOU 1461 CG1 ILE A 388 1359 1934 1418 -205 -239 658 C ATOM 1462 CG2 ILE A 388 35.664 64.300 34.377 1.00 12.41 C ANISOU 1462 CG2 ILE A 388 1376 1886 1454 -247 -224 551 C ATOM 1463 CD1 ILE A 388 35.958 65.586 31.544 1.00 18.44 C ANISOU 1463 CD1 ILE A 388 2195 2629 2185 -222 -199 658 C ATOM 0 H ILE A 388 34.142 67.900 34.582 1.00 12.85 H new ATOM 0 HA ILE A 388 33.086 65.403 34.411 1.00 12.33 H new ATOM 0 HB ILE A 388 35.754 66.297 34.127 1.00 11.91 H new ATOM 0 HG12 ILE A 388 34.221 64.772 32.274 1.00 12.40 H new ATOM 0 HG13 ILE A 388 34.174 66.330 32.236 1.00 12.40 H new ATOM 0 HG21 ILE A 388 36.466 64.116 33.863 1.00 12.41 H new ATOM 0 HG22 ILE A 388 35.886 64.337 35.321 1.00 12.41 H new ATOM 0 HG23 ILE A 388 35.015 63.596 34.225 1.00 12.41 H new ATOM 0 HD11 ILE A 388 35.672 65.555 30.618 1.00 18.44 H new ATOM 0 HD12 ILE A 388 36.467 66.397 31.697 1.00 18.44 H new ATOM 0 HD13 ILE A 388 36.514 64.815 31.736 1.00 18.44 H new ATOM 1475 N ILE A 389 33.399 64.660 36.727 1.00 12.25 N ANISOU 1475 N ILE A 389 1250 1987 1417 -121 -186 600 N ATOM 1476 CA ILE A 389 33.813 64.101 38.018 1.00 12.18 C ANISOU 1476 CA ILE A 389 1290 1960 1379 -77 -155 564 C ATOM 1477 C ILE A 389 34.725 62.922 37.721 1.00 11.70 C ANISOU 1477 C ILE A 389 1285 1856 1306 -156 -166 533 C ATOM 1478 O ILE A 389 34.333 62.026 37.016 1.00 11.78 O ANISOU 1478 O ILE A 389 1276 1884 1316 -251 -167 566 O ATOM 1479 CB ILE A 389 32.634 63.646 38.881 1.00 12.92 C ANISOU 1479 CB ILE A 389 1338 2126 1446 -43 -88 629 C ATOM 1480 CG1 ILE A 389 31.617 64.767 39.029 1.00 18.12 C ANISOU 1480 CG1 ILE A 389 1925 2841 2118 42 -72 666 C ATOM 1481 CG2 ILE A 389 33.143 63.114 40.234 1.00 13.10 C ANISOU 1481 CG2 ILE A 389 1445 2127 1404 44 -43 605 C ATOM 1482 CD1 ILE A 389 32.133 65.992 39.552 1.00 21.38 C ANISOU 1482 CD1 ILE A 389 2390 3207 2525 161 -94 605 C ATOM 0 H ILE A 389 32.751 64.239 36.348 1.00 12.25 H new ATOM 0 HA ILE A 389 34.265 64.791 38.529 1.00 12.18 H new ATOM 0 HB ILE A 389 32.174 62.913 38.443 1.00 12.92 H new ATOM 0 HG12 ILE A 389 31.223 64.943 38.160 1.00 18.12 H new ATOM 0 HG13 ILE A 389 30.902 64.461 39.608 1.00 18.12 H new ATOM 0 HG21 ILE A 389 32.389 62.828 40.774 1.00 13.10 H new ATOM 0 HG22 ILE A 389 33.736 62.361 40.084 1.00 13.10 H new ATOM 0 HG23 ILE A 389 33.624 63.817 40.698 1.00 13.10 H new ATOM 0 HD11 ILE A 389 31.418 66.645 39.611 1.00 21.38 H new ATOM 0 HD12 ILE A 389 32.503 65.837 40.435 1.00 21.38 H new ATOM 0 HD13 ILE A 389 32.829 66.327 38.965 1.00 21.38 H new ATOM 1494 N ALA A 390 35.943 62.958 38.263 1.00 11.40 N ANISOU 1494 N ALA A 390 1310 1758 1264 -108 -185 458 N ATOM 1495 CA ALA A 390 36.956 61.938 37.988 1.00 11.04 C ANISOU 1495 CA ALA A 390 1316 1669 1210 -159 -198 421 C ATOM 1496 C ALA A 390 37.503 61.394 39.294 1.00 11.28 C ANISOU 1496 C ALA A 390 1412 1686 1186 -64 -195 379 C ATOM 1497 O ALA A 390 37.483 62.076 40.312 1.00 11.67 O ANISOU 1497 O ALA A 390 1475 1748 1210 52 -207 342 O ATOM 1498 CB ALA A 390 38.075 62.529 37.168 1.00 11.88 C ANISOU 1498 CB ALA A 390 1418 1718 1380 -183 -228 367 C ATOM 0 H ALA A 390 36.205 63.575 38.801 1.00 11.40 H new ATOM 0 HA ALA A 390 36.549 61.214 37.487 1.00 11.04 H new ATOM 0 HB1 ALA A 390 38.741 61.847 36.990 1.00 11.88 H new ATOM 0 HB2 ALA A 390 37.721 62.861 36.328 1.00 11.88 H new ATOM 0 HB3 ALA A 390 38.484 63.260 37.657 1.00 11.88 H new ATOM 1504 N GLN A 391 37.999 60.160 39.246 1.00 11.22 N ANISOU 1504 N GLN A 391 1461 1654 1149 -96 -183 380 N ATOM 1505 CA GLN A 391 38.519 59.501 40.451 1.00 11.66 C ANISOU 1505 CA GLN A 391 1601 1701 1131 17 -177 355 C ATOM 1506 C GLN A 391 39.669 58.620 40.020 1.00 11.44 C ANISOU 1506 C GLN A 391 1617 1622 1109 -8 -205 309 C ATOM 1507 O GLN A 391 39.553 57.839 39.070 1.00 11.23 O ANISOU 1507 O GLN A 391 1595 1569 1103 -119 -180 344 O ATOM 1508 CB GLN A 391 37.443 58.692 41.176 1.00 12.38 C ANISOU 1508 CB GLN A 391 1730 1814 1159 39 -80 462 C ATOM 1509 CG GLN A 391 37.907 58.119 42.474 1.00 13.12 C ANISOU 1509 CG GLN A 391 1936 1904 1146 196 -57 459 C ATOM 1510 CD GLN A 391 36.771 57.534 43.298 1.00 20.25 C ANISOU 1510 CD GLN A 391 2877 2826 1992 240 78 590 C ATOM 1511 OE1 GLN A 391 35.751 57.096 42.756 1.00 14.84 O ANISOU 1511 OE1 GLN A 391 2126 2132 1382 106 157 681 O ATOM 1512 NE2 GLN A 391 36.928 57.543 44.614 1.00 20.71 N ANISOU 1512 NE2 GLN A 391 3036 2911 1921 436 109 597 N ATOM 0 H GLN A 391 38.045 59.686 38.530 1.00 11.22 H new ATOM 0 HA GLN A 391 38.818 60.169 41.087 1.00 11.66 H new ATOM 0 HB2 GLN A 391 36.674 59.261 41.338 1.00 12.38 H new ATOM 0 HB3 GLN A 391 37.146 57.971 40.599 1.00 12.38 H new ATOM 0 HG2 GLN A 391 38.565 57.428 42.301 1.00 13.12 H new ATOM 0 HG3 GLN A 391 38.351 58.811 42.988 1.00 13.12 H new ATOM 0 HE21 GLN A 391 37.651 57.855 44.959 1.00 20.71 H new ATOM 0 HE22 GLN A 391 36.307 57.236 45.123 1.00 20.71 H new ATOM 1521 N TYR A 392 40.804 58.770 40.690 1.00 11.67 N ANISOU 1521 N TYR A 392 1672 1639 1123 104 -268 214 N ATOM 1522 CA TYR A 392 42.035 58.086 40.257 1.00 11.59 C ANISOU 1522 CA TYR A 392 1678 1589 1137 97 -301 156 C ATOM 1523 C TYR A 392 42.004 56.585 40.643 1.00 12.02 C ANISOU 1523 C TYR A 392 1846 1620 1102 133 -252 213 C ATOM 1524 O TYR A 392 41.896 56.254 41.833 1.00 12.75 O ANISOU 1524 O TYR A 392 2019 1727 1098 269 -241 232 O ATOM 1525 CB TYR A 392 43.225 58.791 40.890 1.00 12.01 C ANISOU 1525 CB TYR A 392 1691 1642 1229 209 -401 21 C ATOM 1526 CG TYR A 392 44.547 58.266 40.442 1.00 12.12 C ANISOU 1526 CG TYR A 392 1683 1626 1298 211 -436 -48 C ATOM 1527 CD1 TYR A 392 44.852 58.168 39.086 1.00 11.63 C ANISOU 1527 CD1 TYR A 392 1571 1532 1318 84 -388 -23 C ATOM 1528 CD2 TYR A 392 45.510 57.892 41.376 1.00 12.94 C ANISOU 1528 CD2 TYR A 392 1814 1743 1361 363 -519 -141 C ATOM 1529 CE1 TYR A 392 46.075 57.729 38.673 1.00 14.76 C ANISOU 1529 CE1 TYR A 392 1935 1905 1768 99 -401 -83 C ATOM 1530 CE2 TYR A 392 46.735 57.414 40.962 1.00 13.22 C ANISOU 1530 CE2 TYR A 392 1806 1757 1458 375 -550 -207 C ATOM 1531 CZ TYR A 392 47.009 57.351 39.621 1.00 14.49 C ANISOU 1531 CZ TYR A 392 1907 1883 1715 238 -482 -175 C ATOM 1532 OH TYR A 392 48.220 56.869 39.206 1.00 14.97 O ANISOU 1532 OH TYR A 392 1921 1929 1839 263 -493 -233 O ATOM 0 H TYR A 392 40.891 59.257 41.393 1.00 11.67 H new ATOM 0 HA TYR A 392 42.109 58.127 39.291 1.00 11.59 H new ATOM 0 HB2 TYR A 392 43.176 59.738 40.684 1.00 12.01 H new ATOM 0 HB3 TYR A 392 43.164 58.707 41.854 1.00 12.01 H new ATOM 0 HD1 TYR A 392 44.213 58.405 38.454 1.00 11.63 H new ATOM 0 HD2 TYR A 392 45.326 57.965 42.285 1.00 12.94 H new ATOM 0 HE1 TYR A 392 46.278 57.684 37.767 1.00 14.76 H new ATOM 0 HE2 TYR A 392 47.368 57.138 41.585 1.00 13.22 H new ATOM 0 HH TYR A 392 48.641 56.564 39.866 1.00 14.97 H new ATOM 1542 N LYS A 393 42.074 55.700 39.640 1.00 11.79 N ANISOU 1542 N LYS A 393 1836 1544 1099 26 -216 244 N ATOM 1543 CA LYS A 393 41.912 54.263 39.848 1.00 12.35 C ANISOU 1543 CA LYS A 393 2019 1560 1116 33 -156 306 C ATOM 1544 C LYS A 393 43.003 53.536 39.103 1.00 12.32 C ANISOU 1544 C LYS A 393 2044 1507 1129 24 -178 250 C ATOM 1545 O LYS A 393 42.756 52.873 38.097 1.00 12.26 O ANISOU 1545 O LYS A 393 2057 1452 1148 -87 -148 269 O ATOM 1546 CB LYS A 393 40.537 53.803 39.374 1.00 12.50 C ANISOU 1546 CB LYS A 393 2032 1553 1164 -106 -81 401 C ATOM 1547 CG LYS A 393 39.392 54.303 40.252 1.00 13.53 C ANISOU 1547 CG LYS A 393 2135 1730 1276 -78 -26 478 C ATOM 1548 CD LYS A 393 39.159 53.427 41.416 1.00 29.58 C ANISOU 1548 CD LYS A 393 4278 3726 3237 24 65 562 C ATOM 1549 CE LYS A 393 37.911 53.851 42.178 1.00 39.44 C ANISOU 1549 CE LYS A 393 5492 5021 4474 47 155 659 C ATOM 1550 NZ LYS A 393 37.379 52.724 42.976 1.00 49.70 N ANISOU 1550 NZ LYS A 393 6888 6252 5744 86 302 788 N ATOM 0 H LYS A 393 42.217 55.921 38.821 1.00 11.79 H new ATOM 0 HA LYS A 393 41.979 54.063 40.795 1.00 12.35 H new ATOM 0 HB2 LYS A 393 40.396 54.111 38.465 1.00 12.50 H new ATOM 0 HB3 LYS A 393 40.518 52.833 39.351 1.00 12.50 H new ATOM 0 HG2 LYS A 393 39.591 55.201 40.560 1.00 13.53 H new ATOM 0 HG3 LYS A 393 38.581 54.358 39.723 1.00 13.53 H new ATOM 0 HD2 LYS A 393 39.064 52.508 41.120 1.00 29.58 H new ATOM 0 HD3 LYS A 393 39.928 53.457 42.006 1.00 29.58 H new ATOM 0 HE2 LYS A 393 38.120 54.597 42.762 1.00 39.44 H new ATOM 0 HE3 LYS A 393 37.235 54.160 41.555 1.00 39.44 H new ATOM 0 HZ1 LYS A 393 36.619 52.970 43.368 1.00 49.70 H new ATOM 0 HZ2 LYS A 393 37.225 52.029 42.442 1.00 49.70 H new ATOM 0 HZ3 LYS A 393 37.973 52.494 43.598 1.00 49.70 H new ATOM 1564 N PRO A 394 44.245 53.705 39.548 1.00 12.52 N ANISOU 1564 N PRO A 394 2060 1550 1147 149 -242 165 N ATOM 1565 CA PRO A 394 45.345 53.191 38.737 1.00 12.56 C ANISOU 1565 CA PRO A 394 2060 1523 1188 145 -256 107 C ATOM 1566 C PRO A 394 45.410 51.672 38.658 1.00 13.15 C ANISOU 1566 C PRO A 394 2271 1520 1207 165 -206 149 C ATOM 1567 O PRO A 394 45.874 51.146 37.622 1.00 13.22 O ANISOU 1567 O PRO A 394 2291 1490 1242 113 -189 124 O ATOM 1568 CB PRO A 394 46.596 53.776 39.439 1.00 12.97 C ANISOU 1568 CB PRO A 394 2042 1620 1268 287 -347 -3 C ATOM 1569 CG PRO A 394 46.142 54.051 40.827 1.00 13.43 C ANISOU 1569 CG PRO A 394 2148 1716 1241 409 -384 5 C ATOM 1570 CD PRO A 394 44.720 54.525 40.682 1.00 12.87 C ANISOU 1570 CD PRO A 394 2073 1651 1168 295 -319 96 C ATOM 0 HA PRO A 394 45.251 53.452 37.807 1.00 12.56 H new ATOM 0 HB2 PRO A 394 47.335 53.148 39.426 1.00 12.97 H new ATOM 0 HB3 PRO A 394 46.903 54.585 39.000 1.00 12.97 H new ATOM 0 HG2 PRO A 394 46.193 53.254 41.378 1.00 13.43 H new ATOM 0 HG3 PRO A 394 46.696 54.725 41.251 1.00 13.43 H new ATOM 0 HD2 PRO A 394 44.201 54.370 41.486 1.00 12.87 H new ATOM 0 HD3 PRO A 394 44.670 55.475 40.491 1.00 12.87 H new ATOM 1578 N GLU A 395 44.986 50.975 39.723 1.00 13.88 N ANISOU 1578 N GLU A 395 2474 1580 1218 254 -170 216 N ATOM 1579 CA GLU A 395 44.988 49.516 39.714 1.00 15.18 C ANISOU 1579 CA GLU A 395 2782 1639 1346 273 -105 271 C ATOM 1580 C GLU A 395 44.067 48.996 38.617 1.00 20.64 C ANISOU 1580 C GLU A 395 3485 2255 2103 79 -49 309 C ATOM 1581 O GLU A 395 44.460 48.138 37.837 1.00 15.81 O ANISOU 1581 O GLU A 395 2935 1568 1506 47 -40 279 O ATOM 1582 CB GLU A 395 44.565 48.948 41.076 1.00 16.26 C ANISOU 1582 CB GLU A 395 3045 1745 1389 405 -45 367 C ATOM 1583 CG GLU A 395 45.573 49.201 42.156 1.00 22.54 C ANISOU 1583 CG GLU A 395 3866 2610 2087 641 -125 311 C ATOM 1584 CD GLU A 395 45.515 50.609 42.702 1.00 33.39 C ANISOU 1584 CD GLU A 395 5129 4104 3455 684 -208 247 C ATOM 1585 OE1 GLU A 395 44.518 51.327 42.471 1.00 21.44 O ANISOU 1585 OE1 GLU A 395 3545 2613 1988 556 -173 284 O ATOM 1586 OE2 GLU A 395 46.477 51.017 43.371 1.00 20.84 O ANISOU 1586 OE2 GLU A 395 3516 2582 1821 856 -320 146 O ATOM 0 H GLU A 395 44.697 51.330 40.451 1.00 13.88 H new ATOM 0 HA GLU A 395 45.894 49.219 39.536 1.00 15.18 H new ATOM 0 HB2 GLU A 395 43.716 49.340 41.335 1.00 16.26 H new ATOM 0 HB3 GLU A 395 44.422 47.992 40.992 1.00 16.26 H new ATOM 0 HG2 GLU A 395 45.428 48.573 42.880 1.00 22.54 H new ATOM 0 HG3 GLU A 395 46.462 49.031 41.807 1.00 22.54 H new ATOM 1593 N GLU A 396 42.868 49.562 38.504 1.00 16.92 N ANISOU 1593 N GLU A 396 2946 1812 1672 -43 -27 357 N ATOM 1594 CA GLU A 396 41.919 49.115 37.498 1.00 17.17 C ANISOU 1594 CA GLU A 396 2967 1785 1774 -222 -3 372 C ATOM 1595 C GLU A 396 42.415 49.505 36.115 1.00 15.89 C ANISOU 1595 C GLU A 396 2750 1659 1627 -283 -68 281 C ATOM 1596 O GLU A 396 42.297 48.743 35.144 1.00 17.01 O ANISOU 1596 O GLU A 396 2943 1732 1786 -362 -74 246 O ATOM 1597 CB GLU A 396 40.531 49.730 37.724 1.00 21.71 C ANISOU 1597 CB GLU A 396 3451 2403 2396 -319 25 439 C ATOM 1598 CG GLU A 396 39.745 49.183 38.894 1.00 28.31 C ANISOU 1598 CG GLU A 396 4338 3184 3234 -289 133 556 C ATOM 1599 CD GLU A 396 40.129 49.808 40.216 1.00 38.94 C ANISOU 1599 CD GLU A 396 5709 4606 4479 -104 148 590 C ATOM 1600 OE1 GLU A 396 41.102 50.608 40.267 1.00 23.96 O ANISOU 1600 OE1 GLU A 396 3782 2791 2532 -4 56 502 O ATOM 1601 OE2 GLU A 396 39.455 49.501 41.222 1.00 59.76 O ANISOU 1601 OE2 GLU A 396 8395 7218 7091 -50 256 701 O ATOM 0 H GLU A 396 42.588 50.205 39.001 1.00 16.92 H new ATOM 0 HA GLU A 396 41.844 48.150 37.568 1.00 17.17 H new ATOM 0 HB2 GLU A 396 40.637 50.686 37.847 1.00 21.71 H new ATOM 0 HB3 GLU A 396 40.006 49.604 36.918 1.00 21.71 H new ATOM 0 HG2 GLU A 396 38.799 49.329 38.737 1.00 28.31 H new ATOM 0 HG3 GLU A 396 39.879 48.224 38.946 1.00 28.31 H new ATOM 1608 N TYR A 397 42.990 50.695 36.006 1.00 15.83 N ANISOU 1608 N TYR A 397 2647 1752 1615 -238 -111 242 N ATOM 1609 CA TYR A 397 43.503 51.119 34.709 1.00 17.54 C ANISOU 1609 CA TYR A 397 2821 2001 1843 -277 -138 183 C ATOM 1610 C TYR A 397 44.630 50.205 34.212 1.00 15.93 C ANISOU 1610 C TYR A 397 2698 1742 1614 -211 -127 128 C ATOM 1611 O TYR A 397 44.685 49.886 33.020 1.00 14.88 O ANISOU 1611 O TYR A 397 2599 1591 1463 -257 -125 93 O ATOM 1612 CB TYR A 397 43.998 52.572 34.743 1.00 13.87 C ANISOU 1612 CB TYR A 397 2235 1625 1411 -241 -160 164 C ATOM 1613 CG TYR A 397 44.692 52.884 33.463 1.00 12.02 C ANISOU 1613 CG TYR A 397 1974 1407 1187 -255 -147 127 C ATOM 1614 CD1 TYR A 397 43.976 53.219 32.331 1.00 12.61 C ANISOU 1614 CD1 TYR A 397 2044 1507 1242 -337 -146 146 C ATOM 1615 CD2 TYR A 397 46.075 52.771 33.365 1.00 12.43 C ANISOU 1615 CD2 TYR A 397 2009 1453 1262 -169 -129 77 C ATOM 1616 CE1 TYR A 397 44.600 53.441 31.122 1.00 13.54 C ANISOU 1616 CE1 TYR A 397 2166 1641 1339 -323 -112 129 C ATOM 1617 CE2 TYR A 397 46.711 52.987 32.170 1.00 14.99 C ANISOU 1617 CE2 TYR A 397 2313 1789 1593 -170 -83 62 C ATOM 1618 CZ TYR A 397 45.973 53.325 31.054 1.00 16.11 C ANISOU 1618 CZ TYR A 397 2476 1953 1692 -242 -66 95 C ATOM 1619 OH TYR A 397 46.605 53.533 29.869 1.00 17.62 O ANISOU 1619 OH TYR A 397 2671 2160 1863 -215 -1 95 O ATOM 0 H TYR A 397 43.092 51.258 36.648 1.00 15.83 H new ATOM 0 HA TYR A 397 42.759 51.056 34.089 1.00 17.54 H new ATOM 0 HB2 TYR A 397 43.251 53.176 34.874 1.00 13.87 H new ATOM 0 HB3 TYR A 397 44.602 52.702 35.491 1.00 13.87 H new ATOM 0 HD1 TYR A 397 43.051 53.297 32.385 1.00 12.61 H new ATOM 0 HD2 TYR A 397 46.573 52.547 34.118 1.00 12.43 H new ATOM 0 HE1 TYR A 397 44.105 53.665 30.367 1.00 13.54 H new ATOM 0 HE2 TYR A 397 47.636 52.906 32.112 1.00 14.99 H new ATOM 0 HH TYR A 397 47.407 53.292 29.933 1.00 17.62 H new ATOM 1629 N SER A 398 45.504 49.777 35.109 1.00 16.06 N ANISOU 1629 N SER A 398 2751 1738 1615 -85 -123 117 N ATOM 1630 CA SER A 398 46.735 49.084 34.732 1.00 20.01 C ANISOU 1630 CA SER A 398 3299 2205 2098 10 -115 61 C ATOM 1631 C SER A 398 46.461 47.757 34.013 1.00 24.23 C ANISOU 1631 C SER A 398 3976 2628 2602 -32 -86 53 C ATOM 1632 O SER A 398 47.326 47.249 33.310 1.00 35.04 O ANISOU 1632 O SER A 398 5389 3975 3951 27 -71 -1 O ATOM 1633 CB SER A 398 47.619 48.820 35.960 1.00 19.08 C ANISOU 1633 CB SER A 398 3196 2091 1961 176 -137 48 C ATOM 1634 OG SER A 398 46.982 47.900 36.818 1.00 29.88 O ANISOU 1634 OG SER A 398 4696 3379 3280 206 -109 116 O ATOM 0 H SER A 398 45.404 49.878 35.957 1.00 16.06 H new ATOM 0 HA SER A 398 47.200 49.672 34.117 1.00 20.01 H new ATOM 0 HB2 SER A 398 48.480 48.472 35.680 1.00 19.08 H new ATOM 0 HB3 SER A 398 47.789 49.651 36.431 1.00 19.08 H new ATOM 0 HG SER A 398 46.212 48.178 37.005 1.00 29.88 H new ATOM 1640 N AARG A 399 45.261 47.206 34.158 0.41 20.70 N ANISOU 1640 N AARG A 399 3593 2106 2166 -134 -75 98 N ATOM 1641 N BARG A 399 45.253 47.227 34.181 0.59 20.52 N ANISOU 1641 N BARG A 399 3568 2085 2143 -134 -75 99 N ATOM 1642 CA AARG A 399 44.960 45.937 33.504 0.41 26.10 C ANISOU 1642 CA AARG A 399 4408 2657 2851 -188 -61 70 C ATOM 1643 CA BARG A 399 44.871 45.976 33.537 0.59 25.88 C ANISOU 1643 CA BARG A 399 4375 2632 2827 -196 -62 74 C ATOM 1644 C AARG A 399 44.754 46.126 32.001 0.41 20.77 C ANISOU 1644 C AARG A 399 3722 2012 2159 -269 -100 -5 C ATOM 1645 C BARG A 399 44.779 46.138 32.023 0.59 21.35 C ANISOU 1645 C BARG A 399 3793 2086 2232 -266 -100 -4 C ATOM 1646 O AARG A 399 44.761 45.161 31.253 0.41 20.11 O ANISOU 1646 O AARG A 399 3750 1832 2059 -285 -110 -68 O ATOM 1647 O BARG A 399 44.913 45.174 31.295 0.59 18.45 O ANISOU 1647 O BARG A 399 3540 1627 1844 -267 -105 -67 O ATOM 1648 CB AARG A 399 43.727 45.285 34.120 0.41 29.07 C ANISOU 1648 CB AARG A 399 4832 2926 3287 -288 -30 138 C ATOM 1649 CB BARG A 399 43.540 45.476 34.096 0.59 26.41 C ANISOU 1649 CB BARG A 399 4470 2607 2956 -310 -35 142 C ATOM 1650 CG AARG A 399 42.426 45.889 33.664 0.41 18.65 C ANISOU 1650 CG AARG A 399 3410 1652 2023 -451 -64 145 C ATOM 1651 CG BARG A 399 43.609 45.109 35.576 0.59 30.15 C ANISOU 1651 CG BARG A 399 5000 3033 3422 -211 32 239 C ATOM 0 H AARG A 399 44.619 47.542 34.621 0.41 20.52 H new ATOM 0 H BARG A 399 44.637 47.579 34.667 0.59 20.52 H new ATOM 0 HA AARG A 399 45.722 45.352 33.639 0.41 25.88 H new ATOM 0 HA BARG A 399 45.560 45.320 33.727 0.59 25.88 H new ATOM 0 HB2AARG A 399 43.729 44.340 33.902 0.41 26.41 H new ATOM 0 HB2BARG A 399 42.865 46.161 33.970 0.59 26.41 H new ATOM 0 HB3AARG A 399 43.784 45.353 35.086 0.41 26.41 H new ATOM 0 HB3BARG A 399 43.254 44.700 33.589 0.59 26.41 H new ATOM 1664 N PHE A 400 44.563 47.370 31.564 1.00 15.26 N ANISOU 1664 N PHE A 400 2903 1440 1455 -304 -124 2 N ATOM 1665 CA PHE A 400 44.434 47.665 30.123 1.00 15.49 C ANISOU 1665 CA PHE A 400 2935 1517 1432 -339 -154 -54 C ATOM 1666 C PHE A 400 45.775 47.772 29.396 1.00 15.65 C ANISOU 1666 C PHE A 400 2975 1575 1395 -218 -107 -93 C ATOM 1667 O PHE A 400 45.887 47.453 28.194 1.00 16.43 O ANISOU 1667 O PHE A 400 3153 1673 1417 -198 -110 -151 O ATOM 1668 CB PHE A 400 43.677 48.994 29.924 1.00 14.85 C ANISOU 1668 CB PHE A 400 2729 1549 1362 -404 -181 -12 C ATOM 1669 CG PHE A 400 42.190 48.919 30.209 1.00 20.44 C ANISOU 1669 CG PHE A 400 3403 2240 2124 -531 -233 11 C ATOM 1670 CD1 PHE A 400 41.311 48.467 29.242 1.00 30.74 C ANISOU 1670 CD1 PHE A 400 4742 3522 3415 -614 -307 -53 C ATOM 1671 CD2 PHE A 400 41.673 49.371 31.414 1.00 21.42 C ANISOU 1671 CD2 PHE A 400 3446 2381 2311 -554 -210 88 C ATOM 1672 CE1 PHE A 400 39.947 48.414 29.479 1.00 42.77 C ANISOU 1672 CE1 PHE A 400 6197 5034 5020 -737 -357 -40 C ATOM 1673 CE2 PHE A 400 40.304 49.323 31.659 1.00 28.26 C ANISOU 1673 CE2 PHE A 400 4258 3238 3243 -666 -235 119 C ATOM 1674 CZ PHE A 400 39.444 48.848 30.687 1.00 40.38 C ANISOU 1674 CZ PHE A 400 5801 4746 4795 -766 -308 55 C ATOM 0 H APHE A 400 44.505 48.058 32.077 0.41 15.26 H new ATOM 0 H BPHE A 400 44.486 48.060 32.072 0.59 15.26 H new ATOM 0 HA PHE A 400 43.949 46.916 29.743 1.00 15.49 H new ATOM 0 HB2 PHE A 400 44.072 49.667 30.500 1.00 14.85 H new ATOM 0 HB3 PHE A 400 43.805 49.292 29.010 1.00 14.85 H new ATOM 0 HD1 PHE A 400 41.642 48.193 28.417 1.00 30.74 H new ATOM 0 HD2 PHE A 400 42.246 49.709 32.064 1.00 21.42 H new ATOM 0 HE1 PHE A 400 39.372 48.087 28.825 1.00 42.77 H new ATOM 0 HE2 PHE A 400 39.968 49.611 32.477 1.00 28.26 H new ATOM 0 HZ PHE A 400 38.528 48.821 30.847 1.00 40.38 H new ATOM 1684 N GLU A 401 46.778 48.323 30.066 1.00 15.34 N ANISOU 1684 N GLU A 401 2850 1584 1394 -130 -63 -65 N ATOM 1685 CA GLU A 401 48.023 48.677 29.390 1.00 15.60 C ANISOU 1685 CA GLU A 401 2844 1670 1415 -30 3 -85 C ATOM 1686 C GLU A 401 49.104 47.628 29.665 1.00 16.37 C ANISOU 1686 C GLU A 401 3008 1705 1505 93 32 -129 C ATOM 1687 O GLU A 401 49.375 47.286 30.826 1.00 17.78 O ANISOU 1687 O GLU A 401 3181 1853 1724 144 10 -119 O ATOM 1688 CB GLU A 401 48.520 50.074 29.839 1.00 14.87 C ANISOU 1688 CB GLU A 401 2574 1664 1411 -20 29 -44 C ATOM 1689 CG GLU A 401 49.683 50.545 29.027 1.00 15.43 C ANISOU 1689 CG GLU A 401 2577 1780 1506 56 123 -49 C ATOM 1690 CD GLU A 401 50.005 52.050 29.157 1.00 15.94 C ANISOU 1690 CD GLU A 401 2465 1905 1687 30 163 -6 C ATOM 1691 OE1 GLU A 401 49.273 52.786 29.852 1.00 19.29 O ANISOU 1691 OE1 GLU A 401 2832 2343 2155 -40 104 19 O ATOM 1692 OE2 GLU A 401 51.023 52.488 28.562 1.00 18.50 O ANISOU 1692 OE2 GLU A 401 2706 2252 2072 84 266 3 O ATOM 0 H GLU A 401 46.761 48.500 30.907 1.00 15.34 H new ATOM 0 HA GLU A 401 47.845 48.703 28.437 1.00 15.60 H new ATOM 0 HB2 GLU A 401 47.795 50.714 29.764 1.00 14.87 H new ATOM 0 HB3 GLU A 401 48.773 50.041 30.775 1.00 14.87 H new ATOM 0 HG2 GLU A 401 50.468 50.037 29.286 1.00 15.43 H new ATOM 0 HG3 GLU A 401 49.511 50.345 28.094 1.00 15.43 H new ATOM 1699 N ALA A 402 49.736 47.145 28.614 1.00 17.05 N ANISOU 1699 N ALA A 402 3166 1782 1528 166 85 -172 N ATOM 1700 CA ALA A 402 50.758 46.103 28.702 1.00 18.00 C ANISOU 1700 CA ALA A 402 3363 1845 1633 302 120 -219 C ATOM 1701 C ALA A 402 51.938 46.489 29.610 1.00 17.90 C ANISOU 1701 C ALA A 402 3203 1885 1714 408 141 -209 C ATOM 1702 O ALA A 402 52.433 47.622 29.554 1.00 18.97 O ANISOU 1702 O ALA A 402 3167 2113 1929 403 177 -188 O ATOM 1703 CB ALA A 402 51.255 45.782 27.324 1.00 26.08 C ANISOU 1703 CB ALA A 402 4466 2876 2565 376 190 -263 C ATOM 0 H ALA A 402 49.586 47.414 27.811 1.00 17.05 H new ATOM 0 HA ALA A 402 50.343 45.325 29.106 1.00 18.00 H new ATOM 0 HB1 ALA A 402 51.934 45.091 27.377 1.00 26.08 H new ATOM 0 HB2 ALA A 402 50.517 45.468 26.778 1.00 26.08 H new ATOM 0 HB3 ALA A 402 51.637 46.579 26.924 1.00 26.08 H new ATOM 1709 N ASN A 403 52.367 45.510 30.408 1.00 20.03 N ANISOU 1709 N ASN A 403 3545 2086 1978 510 115 -230 N ATOM 1710 CA ASN A 403 53.503 45.595 31.311 1.00 19.45 C ANISOU 1710 CA ASN A 403 3358 2058 1974 650 103 -246 C ATOM 1711 C ASN A 403 53.400 46.801 32.274 1.00 24.19 C ANISOU 1711 C ASN A 403 3784 2744 2665 604 41 -226 C ATOM 1712 O ASN A 403 54.419 47.414 32.618 1.00 24.88 O ANISOU 1712 O ASN A 403 3696 2906 2850 682 31 -263 O ATOM 1713 CB ASN A 403 54.819 45.656 30.541 1.00 20.96 C ANISOU 1713 CB ASN A 403 3455 2306 2202 765 188 -286 C ATOM 1714 CG ASN A 403 55.123 44.378 29.739 1.00 23.04 C ANISOU 1714 CG ASN A 403 3901 2487 2366 865 245 -324 C ATOM 1715 OD1 ASN A 403 55.089 43.235 30.262 1.00 28.55 O ANISOU 1715 OD1 ASN A 403 4751 3082 3013 945 208 -340 O ATOM 1716 ND2 ASN A 403 55.510 44.574 28.487 1.00 37.83 N ANISOU 1716 ND2 ASN A 403 5762 4400 4210 884 347 -335 N ATOM 0 H ASN A 403 51.981 44.742 30.435 1.00 20.03 H new ATOM 0 HA ASN A 403 53.488 44.786 31.846 1.00 19.45 H new ATOM 0 HB2 ASN A 403 54.795 46.412 29.934 1.00 20.96 H new ATOM 0 HB3 ASN A 403 55.543 45.817 31.166 1.00 20.96 H new ATOM 0 HD21 ASN A 403 55.750 43.906 28.001 1.00 37.83 H new ATOM 0 HD22 ASN A 403 55.522 45.369 28.160 1.00 37.83 H new ATOM 1723 N ASER A 404 52.183 47.136 32.684 0.41 18.56 N ANISOU 1723 N ASER A 404 3110 2013 1929 482 -2 -179 N ATOM 1724 N BSER A 404 52.197 47.098 32.734 0.59 16.99 N ANISOU 1724 N BSER A 404 2914 1812 1728 488 -4 -179 N ATOM 1725 CA ASER A 404 51.959 48.265 33.583 0.41 16.71 C ANISOU 1725 CA ASER A 404 2739 1849 1762 447 -61 -166 C ATOM 1726 CA BSER A 404 51.986 48.256 33.592 0.59 17.17 C ANISOU 1726 CA BSER A 404 2797 1908 1820 450 -62 -167 C ATOM 1727 C ASER A 404 51.719 47.742 34.991 0.41 19.85 C ANISOU 1727 C ASER A 404 3215 2217 2111 534 -129 -150 C ATOM 1728 C BSER A 404 51.584 47.799 34.984 0.59 16.29 C ANISOU 1728 C BSER A 404 2767 1766 1659 518 -129 -144 C ATOM 1729 O ASER A 404 51.373 46.569 35.183 0.41 16.92 O ANISOU 1729 O ASER A 404 3017 1750 1662 570 -111 -118 O ATOM 1730 O BSER A 404 51.033 46.712 35.159 0.59 22.12 O ANISOU 1730 O BSER A 404 3677 2408 2321 526 -110 -103 O ATOM 1731 CB ASER A 404 50.777 49.131 33.128 0.41 15.40 C ANISOU 1731 CB ASER A 404 2551 1702 1598 279 -53 -117 C ATOM 1732 CB BSER A 404 50.949 49.190 32.988 0.59 18.85 C ANISOU 1732 CB BSER A 404 2973 2146 2044 286 -45 -123 C ATOM 1733 OG ASER A 404 49.546 48.448 33.279 0.41 15.02 O ANISOU 1733 OG ASER A 404 2646 1582 1477 203 -66 -72 O ATOM 1734 OG BSER A 404 51.394 49.574 31.690 0.59 24.55 O ANISOU 1734 OG BSER A 404 3644 2896 2786 260 35 -129 O ATOM 0 H ASER A 404 51.467 46.720 32.452 0.41 16.99 H new ATOM 0 H BSER A 404 51.487 46.643 32.563 0.59 16.99 H new ATOM 0 HA ASER A 404 52.749 48.828 33.569 0.41 17.17 H new ATOM 0 HA BSER A 404 52.815 48.754 33.664 0.59 17.17 H new ATOM 0 HB2ASER A 404 50.758 49.952 33.644 0.41 18.85 H new ATOM 0 HB2BSER A 404 50.088 48.748 32.933 0.59 18.85 H new ATOM 0 HB3ASER A 404 50.897 49.382 32.199 0.41 18.85 H new ATOM 0 HB3BSER A 404 50.831 49.972 33.550 0.59 18.85 H new ATOM 0 HG ASER A 404 49.297 48.151 32.534 0.41 24.55 H new ATOM 0 HG BSER A 404 51.039 50.305 31.477 0.59 24.55 H new ATOM 1745 N ARG A 405 51.936 48.605 35.966 1.00 16.22 N ANISOU 1745 N ARG A 405 2638 1830 1697 581 -202 -174 N ATOM 1746 CA ARG A 405 51.722 48.268 37.357 1.00 16.61 C ANISOU 1746 CA ARG A 405 2765 1873 1671 697 -266 -156 C ATOM 1747 C ARG A 405 51.669 49.577 38.119 1.00 16.23 C ANISOU 1747 C ARG A 405 2574 1914 1677 697 -349 -196 C ATOM 1748 O ARG A 405 51.970 50.613 37.569 1.00 15.84 O ANISOU 1748 O ARG A 405 2362 1911 1744 614 -353 -242 O ATOM 1749 CB ARG A 405 52.828 47.360 37.891 1.00 19.21 C ANISOU 1749 CB ARG A 405 3144 2194 1962 909 -303 -199 C ATOM 1750 CG ARG A 405 54.187 48.007 37.814 1.00 18.50 C ANISOU 1750 CG ARG A 405 2845 2198 1987 995 -366 -313 C ATOM 1751 CD ARG A 405 55.291 47.047 38.220 1.00 19.98 C ANISOU 1751 CD ARG A 405 3067 2385 2137 1217 -406 -361 C ATOM 1752 NE ARG A 405 56.590 47.602 37.851 1.00 20.79 N ANISOU 1752 NE ARG A 405 2936 2571 2393 1267 -439 -470 N ATOM 1753 CZ ARG A 405 57.298 48.444 38.600 1.00 21.46 C ANISOU 1753 CZ ARG A 405 2826 2750 2580 1345 -568 -578 C ATOM 1754 NH1 ARG A 405 56.867 48.825 39.784 1.00 21.43 N ANISOU 1754 NH1 ARG A 405 2857 2780 2506 1410 -687 -598 N ATOM 1755 NH2 ARG A 405 58.469 48.891 38.150 1.00 25.67 N ANISOU 1755 NH2 ARG A 405 3122 3339 3293 1365 -576 -672 N ATOM 0 H AARG A 405 52.214 49.409 35.838 0.41 16.22 H new ATOM 0 H BARG A 405 52.309 49.370 35.843 0.59 16.22 H new ATOM 0 HA ARG A 405 50.895 47.772 37.464 1.00 16.61 H new ATOM 0 HB2 ARG A 405 52.635 47.127 38.813 1.00 19.21 H new ATOM 0 HB3 ARG A 405 52.837 46.533 37.385 1.00 19.21 H new ATOM 0 HG2 ARG A 405 54.346 48.319 36.910 1.00 18.50 H new ATOM 0 HG3 ARG A 405 54.208 48.787 38.391 1.00 18.50 H new ATOM 0 HD2 ARG A 405 55.258 46.889 39.176 1.00 19.98 H new ATOM 0 HD3 ARG A 405 55.161 46.189 37.786 1.00 19.98 H new ATOM 0 HE ARG A 405 56.922 47.367 37.093 1.00 20.79 H new ATOM 0 HH11 ARG A 405 56.117 48.529 40.084 1.00 21.43 H new ATOM 0 HH12 ARG A 405 57.335 49.370 40.257 1.00 21.43 H new ATOM 0 HH21 ARG A 405 58.761 48.635 37.382 1.00 25.67 H new ATOM 0 HH22 ARG A 405 58.934 49.435 38.627 1.00 25.67 H new ATOM 1769 N VAL A 406 51.288 49.504 39.371 1.00 16.56 N ANISOU 1769 N VAL A 406 2691 1969 1631 801 -404 -176 N ATOM 1770 CA VAL A 406 51.171 50.682 40.214 1.00 16.44 C ANISOU 1770 CA VAL A 406 2573 2033 1642 828 -495 -229 C ATOM 1771 C VAL A 406 52.257 50.620 41.269 1.00 17.79 C ANISOU 1771 C VAL A 406 2708 2265 1785 1058 -627 -335 C ATOM 1772 O VAL A 406 52.405 49.581 41.920 1.00 18.71 O ANISOU 1772 O VAL A 406 2979 2360 1771 1224 -632 -297 O ATOM 1773 CB VAL A 406 49.796 50.728 40.860 1.00 16.03 C ANISOU 1773 CB VAL A 406 2639 1963 1489 792 -455 -126 C ATOM 1774 CG1 VAL A 406 49.646 51.977 41.694 1.00 16.02 C ANISOU 1774 CG1 VAL A 406 2545 2040 1501 834 -547 -190 C ATOM 1775 CG2 VAL A 406 48.696 50.651 39.800 1.00 40.42 C ANISOU 1775 CG2 VAL A 406 5754 4994 4610 575 -344 -33 C ATOM 0 H VAL A 406 51.087 48.767 39.766 1.00 16.56 H new ATOM 0 HA VAL A 406 51.276 51.487 39.683 1.00 16.44 H new ATOM 0 HB VAL A 406 49.707 49.958 41.443 1.00 16.03 H new ATOM 0 HG11 VAL A 406 48.765 51.992 42.099 1.00 16.02 H new ATOM 0 HG12 VAL A 406 50.322 51.985 42.390 1.00 16.02 H new ATOM 0 HG13 VAL A 406 49.755 52.758 41.130 1.00 16.02 H new ATOM 0 HG21 VAL A 406 47.828 50.682 40.232 1.00 40.42 H new ATOM 0 HG22 VAL A 406 48.780 51.401 39.191 1.00 40.42 H new ATOM 0 HG23 VAL A 406 48.781 49.821 39.305 1.00 40.42 H new ATOM 1785 N ASP A 407 53.013 51.699 41.465 1.00 19.63 N ANISOU 1785 N ASP A 407 2745 2569 2146 1079 -741 -470 N ATOM 1786 CA ASP A 407 54.055 51.669 42.511 1.00 26.12 C ANISOU 1786 CA ASP A 407 3513 3462 2948 1311 -906 -604 C ATOM 1787 C ASP A 407 53.541 52.169 43.875 1.00 28.67 C ANISOU 1787 C ASP A 407 3910 3840 3144 1447 -1018 -638 C ATOM 1788 O ASP A 407 52.356 52.342 44.070 1.00 19.48 O ANISOU 1788 O ASP A 407 2859 2652 1891 1376 -941 -533 O ATOM 1789 CB ASP A 407 55.298 52.454 42.057 1.00 23.05 C ANISOU 1789 CB ASP A 407 2850 3113 2794 1280 -986 -760 C ATOM 1790 CG ASP A 407 55.097 53.960 42.043 1.00 27.24 C ANISOU 1790 CG ASP A 407 3212 3653 3486 1146 -1034 -838 C ATOM 1791 OD1 ASP A 407 54.133 54.479 42.642 1.00 30.70 O ANISOU 1791 OD1 ASP A 407 3738 4094 3834 1132 -1056 -809 O ATOM 1792 OD2 ASP A 407 55.964 54.638 41.444 1.00 28.14 O ANISOU 1792 OD2 ASP A 407 3096 3763 3833 1063 -1043 -929 O ATOM 0 H ASP A 407 52.949 52.435 41.025 1.00 19.63 H new ATOM 0 HA ASP A 407 54.306 50.741 42.639 1.00 26.12 H new ATOM 0 HB2 ASP A 407 56.039 52.240 42.645 1.00 23.05 H new ATOM 0 HB3 ASP A 407 55.549 52.161 41.167 1.00 23.05 H new ATOM 1797 N SER A 408 54.433 52.361 44.843 1.00 30.80 N ANISOU 1797 N SER A 408 4133 4167 3403 1576 -1128 -787 N ATOM 1798 CA SER A 408 53.994 52.653 46.209 1.00 31.72 C ANISOU 1798 CA SER A 408 4369 4313 3371 1685 -1156 -823 C ATOM 1799 C SER A 408 53.317 54.020 46.394 1.00 40.81 C ANISOU 1799 C SER A 408 5444 5464 4597 1583 -1182 -869 C ATOM 1800 O SER A 408 52.545 54.229 47.339 1.00 36.17 O ANISOU 1800 O SER A 408 4982 4886 3875 1661 -1155 -843 O ATOM 1801 CB SER A 408 55.193 52.540 47.148 1.00 53.65 C ANISOU 1801 CB SER A 408 7120 7146 6117 1856 -1279 -994 C ATOM 1802 OG SER A 408 56.312 53.230 46.624 1.00 59.81 O ANISOU 1802 OG SER A 408 7656 7940 7130 1777 -1382 -1150 O ATOM 0 H SER A 408 55.286 52.328 44.735 1.00 30.80 H new ATOM 0 HA SER A 408 53.310 51.999 46.419 1.00 31.72 H new ATOM 0 HB2 SER A 408 54.963 52.903 48.018 1.00 53.65 H new ATOM 0 HB3 SER A 408 55.418 51.606 47.281 1.00 53.65 H new ATOM 0 HG SER A 408 56.960 53.158 47.154 1.00 59.81 H new ATOM 1808 N ASER A 409 53.597 54.960 45.495 0.52 31.72 N ANISOU 1808 N ASER A 409 4087 4295 3671 1417 -1218 -933 N ATOM 1809 N BSER A 409 53.605 54.939 45.478 0.48 32.16 N ANISOU 1809 N BSER A 409 4143 4350 3727 1417 -1217 -931 N ATOM 1810 CA ASER A 409 52.997 56.289 45.582 0.52 33.70 C ANISOU 1810 CA ASER A 409 4265 4527 4013 1313 -1236 -975 C ATOM 1811 CA BSER A 409 53.041 56.282 45.517 0.48 33.95 C ANISOU 1811 CA BSER A 409 4288 4558 4055 1307 -1236 -976 C ATOM 1812 C ASER A 409 51.666 56.310 44.867 0.52 28.54 C ANISOU 1812 C ASER A 409 3679 3854 3312 1186 -1128 -800 C ATOM 1813 C BSER A 409 51.660 56.289 44.906 0.48 28.85 C ANISOU 1813 C BSER A 409 3723 3893 3344 1192 -1128 -799 C ATOM 1814 O ASER A 409 50.960 57.317 44.855 0.52 34.71 O ANISOU 1814 O ASER A 409 4424 4622 4141 1098 -1122 -801 O ATOM 1815 O BSER A 409 50.912 57.261 45.014 0.48 37.89 O ANISOU 1815 O BSER A 409 4849 5028 4517 1120 -1122 -799 O ATOM 1816 CB ASER A 409 53.919 57.348 44.980 0.52 37.62 C ANISOU 1816 CB ASER A 409 4511 4988 4794 1184 -1299 -1118 C ATOM 1817 CB BSER A 409 53.941 57.252 44.761 0.48 39.50 C ANISOU 1817 CB BSER A 409 4737 5225 5046 1165 -1286 -1101 C ATOM 1818 OG ASER A 409 54.025 57.185 43.576 0.52 39.19 O ANISOU 1818 OG ASER A 409 4590 5164 5137 1034 -1222 -1037 O ATOM 1819 OG BSER A 409 55.292 56.837 44.830 0.48 43.74 O ANISOU 1819 OG BSER A 409 5177 5778 5663 1235 -1351 -1214 O ATOM 0 H ASER A 409 54.130 54.849 44.829 0.52 32.16 H new ATOM 0 H BSER A 409 54.135 54.800 44.815 0.48 32.16 H new ATOM 0 HA ASER A 409 52.862 56.494 46.520 0.52 33.95 H new ATOM 0 HA BSER A 409 52.978 56.562 46.443 0.48 33.95 H new ATOM 0 HB2ASER A 409 53.577 58.233 45.182 0.52 39.50 H new ATOM 0 HB2BSER A 409 53.661 57.305 43.834 0.48 39.50 H new ATOM 0 HB3ASER A 409 54.798 57.285 45.384 0.52 39.50 H new ATOM 0 HB3BSER A 409 53.852 58.142 45.135 0.48 39.50 H new ATOM 0 HG ASER A 409 54.052 56.366 43.390 0.52 43.74 H new ATOM 0 HG BSER A 409 55.774 57.380 44.408 0.48 43.74 H new ATOM 1830 N GLY A 410 51.321 55.184 44.246 1.00 28.39 N ANISOU 1830 N GLY A 410 3768 3816 3203 1162 -1023 -648 N ATOM 1831 CA GLY A 410 50.131 55.126 43.456 1.00 18.86 C ANISOU 1831 CA GLY A 410 2625 2556 1985 972 -854 -485 C ATOM 1832 C GLY A 410 50.353 55.513 42.011 1.00 16.52 C ANISOU 1832 C GLY A 410 2190 2212 1876 757 -774 -471 C ATOM 1833 O GLY A 410 49.403 55.589 41.231 1.00 20.55 O ANISOU 1833 O GLY A 410 2734 2688 2387 600 -656 -355 O ATOM 0 H AGLY A 410 51.771 54.452 44.278 0.52 28.39 H new ATOM 0 H BGLY A 410 51.782 54.458 44.253 0.48 28.39 H new ATOM 0 HA2 GLY A 410 49.770 54.226 43.492 1.00 18.86 H new ATOM 0 HA3 GLY A 410 49.464 55.715 43.843 1.00 18.86 H new ATOM 1837 N ARG A 411 51.612 55.655 41.589 1.00 16.63 N ANISOU 1837 N ARG A 411 2051 2227 2041 762 -824 -578 N ATOM 1838 CA ARG A 411 51.866 56.007 40.189 1.00 16.03 C ANISOU 1838 CA ARG A 411 1856 2106 2128 583 -715 -544 C ATOM 1839 C ARG A 411 51.878 54.788 39.262 1.00 15.61 C ANISOU 1839 C ARG A 411 1904 2023 2004 548 -595 -441 C ATOM 1840 O ARG A 411 52.291 53.714 39.629 1.00 16.62 O ANISOU 1840 O ARG A 411 2122 2157 2037 675 -616 -445 O ATOM 1841 CB ARG A 411 53.180 56.781 40.073 1.00 25.99 C ANISOU 1841 CB ARG A 411 2885 3368 3620 586 -788 -690 C ATOM 1842 CG ARG A 411 52.963 58.191 40.595 1.00 40.44 C ANISOU 1842 CG ARG A 411 4611 5186 5568 548 -874 -781 C ATOM 1843 CD ARG A 411 54.181 59.022 40.660 1.00 33.11 C ANISOU 1843 CD ARG A 411 3440 4238 4903 543 -965 -947 C ATOM 1844 NE ARG A 411 53.851 60.405 41.030 1.00 44.05 N ANISOU 1844 NE ARG A 411 4743 5577 6417 481 -1030 -1027 N ATOM 1845 CZ ARG A 411 53.462 60.798 42.243 1.00 50.78 C ANISOU 1845 CZ ARG A 411 5698 6444 7154 587 -1139 -1105 C ATOM 1846 NH1 ARG A 411 53.330 59.930 43.231 1.00 50.38 N ANISOU 1846 NH1 ARG A 411 5807 6467 6869 767 -1210 -1117 N ATOM 1847 NH2 ARG A 411 53.198 62.074 42.473 1.00 47.39 N ANISOU 1847 NH2 ARG A 411 5225 5944 6838 526 -1151 -1159 N ATOM 0 H ARG A 411 52.312 55.556 42.079 1.00 16.63 H new ATOM 0 HA ARG A 411 51.131 56.569 39.899 1.00 16.03 H new ATOM 0 HB2 ARG A 411 53.877 56.338 40.581 1.00 25.99 H new ATOM 0 HB3 ARG A 411 53.475 56.806 39.149 1.00 25.99 H new ATOM 0 HG2 ARG A 411 52.313 58.636 40.028 1.00 40.44 H new ATOM 0 HG3 ARG A 411 52.576 58.138 41.483 1.00 40.44 H new ATOM 0 HD2 ARG A 411 54.798 58.648 41.308 1.00 33.11 H new ATOM 0 HD3 ARG A 411 54.631 59.011 39.801 1.00 33.11 H new ATOM 0 HE ARG A 411 53.913 61.006 40.418 1.00 44.05 H new ATOM 0 HH11 ARG A 411 53.496 59.097 43.097 1.00 50.38 H new ATOM 0 HH12 ARG A 411 53.078 60.198 44.008 1.00 50.38 H new ATOM 0 HH21 ARG A 411 53.277 62.650 41.840 1.00 47.39 H new ATOM 0 HH22 ARG A 411 52.947 62.327 43.256 1.00 47.39 H new ATOM 1861 N ILE A 412 51.325 54.962 38.079 1.00 15.25 N ANISOU 1861 N ILE A 412 1865 1943 1988 389 -473 -350 N ATOM 1862 CA ILE A 412 51.371 53.943 37.048 1.00 15.79 C ANISOU 1862 CA ILE A 412 2021 1979 2002 352 -368 -280 C ATOM 1863 C ILE A 412 52.752 53.908 36.392 1.00 22.11 C ANISOU 1863 C ILE A 412 2688 2784 2931 385 -336 -342 C ATOM 1864 O ILE A 412 53.240 54.908 35.876 1.00 18.86 O ANISOU 1864 O ILE A 412 2112 2372 2683 316 -300 -369 O ATOM 1865 CB ILE A 412 50.284 54.200 36.001 1.00 15.69 C ANISOU 1865 CB ILE A 412 2062 1942 1959 195 -272 -178 C ATOM 1866 CG1 ILE A 412 48.899 54.150 36.656 1.00 15.05 C ANISOU 1866 CG1 ILE A 412 2087 1859 1770 164 -294 -114 C ATOM 1867 CG2 ILE A 412 50.415 53.211 34.826 1.00 17.56 C ANISOU 1867 CG2 ILE A 412 2388 2145 2138 169 -181 -136 C ATOM 1868 CD1 ILE A 412 47.837 54.875 35.853 1.00 19.65 C ANISOU 1868 CD1 ILE A 412 2659 2444 2363 24 -243 -43 C ATOM 0 H ILE A 412 50.909 55.678 37.848 1.00 15.25 H new ATOM 0 HA ILE A 412 51.207 53.079 37.458 1.00 15.79 H new ATOM 0 HB ILE A 412 50.399 55.090 35.632 1.00 15.69 H new ATOM 0 HG12 ILE A 412 48.634 53.224 36.771 1.00 15.05 H new ATOM 0 HG13 ILE A 412 48.951 54.542 37.542 1.00 15.05 H new ATOM 0 HG21 ILE A 412 49.719 53.389 34.174 1.00 17.56 H new ATOM 0 HG22 ILE A 412 51.284 53.318 34.408 1.00 17.56 H new ATOM 0 HG23 ILE A 412 50.324 52.303 35.155 1.00 17.56 H new ATOM 0 HD11 ILE A 412 46.985 54.812 36.312 1.00 19.65 H new ATOM 0 HD12 ILE A 412 48.084 55.808 35.758 1.00 19.65 H new ATOM 0 HD13 ILE A 412 47.762 54.470 34.975 1.00 19.65 H new ATOM 1880 N AVAL A 413 53.389 52.748 36.407 0.45 16.07 N ANISOU 1880 N AVAL A 413 1990 2014 2103 496 -333 -358 N ATOM 1881 N BVAL A 413 53.367 52.736 36.428 0.55 16.06 N ANISOU 1881 N BVAL A 413 1993 2012 2098 497 -335 -357 N ATOM 1882 CA AVAL A 413 54.673 52.602 35.748 0.45 22.64 C ANISOU 1882 CA AVAL A 413 2695 2856 3050 543 -284 -408 C ATOM 1883 CA BVAL A 413 54.670 52.520 35.838 0.55 21.10 C ANISOU 1883 CA BVAL A 413 2511 2662 2845 555 -292 -411 C ATOM 1884 C AVAL A 413 54.590 51.493 34.723 0.45 17.05 C ANISOU 1884 C AVAL A 413 2135 2108 2234 542 -170 -341 C ATOM 1885 C BVAL A 413 54.522 51.521 34.714 0.55 16.98 C ANISOU 1885 C BVAL A 413 2131 2099 2223 535 -169 -337 C ATOM 1886 O AVAL A 413 53.976 50.446 34.953 0.45 16.80 O ANISOU 1886 O AVAL A 413 2298 2034 2050 578 -180 -301 O ATOM 1887 O BVAL A 413 53.745 50.573 34.812 0.55 18.97 O ANISOU 1887 O BVAL A 413 2580 2305 2321 543 -168 -286 O ATOM 1888 CB AVAL A 413 55.807 52.328 36.759 0.45 19.61 C ANISOU 1888 CB AVAL A 413 2213 2517 2720 721 -410 -528 C ATOM 1889 CB BVAL A 413 55.688 52.019 36.891 0.55 18.36 C ANISOU 1889 CB BVAL A 413 2111 2356 2511 747 -417 -517 C ATOM 1890 CG1AVAL A 413 55.937 53.492 37.720 0.45 30.00 C ANISOU 1890 CG1AVAL A 413 3375 3870 4153 726 -545 -629 C ATOM 1891 CG1BVAL A 413 57.007 51.690 36.253 0.55 23.55 C ANISOU 1891 CG1BVAL A 413 2633 3029 3284 816 -363 -568 C ATOM 1892 CG2AVAL A 413 55.541 51.067 37.515 0.45 30.52 C ANISOU 1892 CG2AVAL A 413 3801 3887 3908 865 -463 -505 C ATOM 1893 CG2BVAL A 413 55.873 53.065 37.968 0.55 23.54 C ANISOU 1893 CG2BVAL A 413 2624 3056 3265 779 -565 -623 C ATOM 0 H AVAL A 413 53.096 52.037 36.791 0.45 16.06 H new ATOM 0 H BVAL A 413 53.033 52.037 36.801 0.55 16.06 H new ATOM 0 HA AVAL A 413 54.885 53.437 35.303 0.45 21.10 H new ATOM 0 HA BVAL A 413 55.013 53.359 35.492 0.55 21.10 H new ATOM 0 HB AVAL A 413 56.639 52.226 36.271 0.45 18.36 H new ATOM 0 HB BVAL A 413 55.338 51.208 37.292 0.55 18.36 H new ATOM 0 HG11AVAL A 413 56.651 53.312 38.352 0.45 23.55 H new ATOM 0 HG11BVAL A 413 57.626 51.379 36.932 0.55 23.55 H new ATOM 0 HG12AVAL A 413 56.141 54.300 37.224 0.45 23.55 H new ATOM 0 HG12BVAL A 413 56.881 50.995 35.588 0.55 23.55 H new ATOM 0 HG13AVAL A 413 55.103 53.610 38.201 0.45 23.55 H new ATOM 0 HG13BVAL A 413 57.367 52.483 35.826 0.55 23.55 H new ATOM 0 HG21AVAL A 413 56.261 50.909 38.145 0.45 23.54 H new ATOM 0 HG21BVAL A 413 56.512 52.745 38.624 0.55 23.54 H new ATOM 0 HG22AVAL A 413 54.703 51.149 37.997 0.45 23.54 H new ATOM 0 HG22BVAL A 413 56.203 53.885 37.569 0.55 23.54 H new ATOM 0 HG23AVAL A 413 55.486 50.323 36.895 0.45 23.54 H new ATOM 0 HG23BVAL A 413 55.023 53.237 38.402 0.55 23.54 H new ATOM 1912 N ATHR A 414 55.268 51.704 33.609 0.45 17.82 N ANISOU 1912 N ATHR A 414 2141 2211 2420 514 -55 -333 N ATOM 1913 N BTHR A 414 55.325 51.691 33.677 0.55 17.88 N ANISOU 1913 N BTHR A 414 2141 2220 2431 523 -62 -339 N ATOM 1914 CA ATHR A 414 55.324 50.696 32.566 0.45 21.57 C ANISOU 1914 CA ATHR A 414 2754 2653 2787 541 51 -292 C ATOM 1915 CA BTHR A 414 55.359 50.717 32.597 0.55 21.89 C ANISOU 1915 CA BTHR A 414 2787 2695 2833 543 49 -295 C ATOM 1916 C ATHR A 414 56.761 50.251 32.415 0.45 29.73 C ANISOU 1916 C ATHR A 414 3678 3713 3907 680 90 -352 C ATOM 1917 C BTHR A 414 56.780 50.250 32.438 0.55 30.16 C ANISOU 1917 C BTHR A 414 3730 3768 3963 682 88 -354 C ATOM 1918 O ATHR A 414 57.681 51.067 32.345 0.45 38.63 O ANISOU 1918 O ATHR A 414 4575 4881 5222 682 121 -391 O ATOM 1919 O BTHR A 414 57.713 51.053 32.375 0.55 38.96 O ANISOU 1919 O BTHR A 414 4614 4924 5266 687 118 -394 O ATOM 1920 CB ATHR A 414 54.780 51.232 31.233 0.45 34.41 C ANISOU 1920 CB ATHR A 414 4409 4272 4391 422 176 -216 C ATOM 1921 CB BTHR A 414 54.863 51.302 31.277 0.55 35.40 C ANISOU 1921 CB BTHR A 414 4517 4402 4533 424 175 -219 C ATOM 1922 OG1ATHR A 414 53.424 51.661 31.414 0.45 22.39 O ANISOU 1922 OG1ATHR A 414 2970 2737 2801 304 125 -167 O ATOM 1923 OG1BTHR A 414 55.775 52.314 30.844 0.55 43.14 O ANISOU 1923 OG1BTHR A 414 5282 5413 5697 409 266 -221 O ATOM 1924 CG2ATHR A 414 54.824 50.159 30.170 0.45 26.58 C ANISOU 1924 CG2ATHR A 414 3584 3252 3265 473 264 -198 C ATOM 1925 CG2BTHR A 414 53.481 51.906 31.458 0.55 23.95 C ANISOU 1925 CG2BTHR A 414 3133 2941 3027 295 125 -167 C ATOM 0 H ATHR A 414 55.704 52.425 33.436 0.45 17.88 H new ATOM 0 H BTHR A 414 55.857 52.360 33.578 0.55 17.88 H new ATOM 0 HA ATHR A 414 54.764 49.944 32.816 0.45 21.89 H new ATOM 0 HA BTHR A 414 54.768 49.982 32.823 0.55 21.89 H new ATOM 0 HB ATHR A 414 55.332 51.977 30.948 0.45 35.40 H new ATOM 0 HB BTHR A 414 54.811 50.597 30.613 0.55 35.40 H new ATOM 0 HG1ATHR A 414 53.089 51.853 30.668 0.45 43.14 H new ATOM 0 HG1BTHR A 414 55.515 53.063 31.121 0.55 43.14 H new ATOM 0 HG21ATHR A 414 54.477 50.514 29.337 0.45 23.95 H new ATOM 0 HG21BTHR A 414 53.176 52.274 30.614 0.55 23.95 H new ATOM 0 HG22ATHR A 414 55.740 49.869 30.041 0.45 23.95 H new ATOM 0 HG22BTHR A 414 52.863 51.219 31.753 0.55 23.95 H new ATOM 0 HG23ATHR A 414 54.282 49.404 30.449 0.45 23.95 H new ATOM 0 HG23BTHR A 414 53.520 52.611 32.123 0.55 23.95 H new ATOM 1940 N ASP A 415 56.945 48.940 32.375 1.00 20.73 N ANISOU 1940 N ASP A 415 2695 2538 2644 796 92 -361 N ATOM 1941 CA ASP A 415 58.251 48.369 32.264 1.00 24.31 C ANISOU 1941 CA ASP A 415 3064 3018 3156 955 125 -417 C ATOM 1942 C ASP A 415 58.568 48.069 30.804 1.00 43.32 C ANISOU 1942 C ASP A 415 5514 5414 5531 960 300 -378 C ATOM 1943 O ASP A 415 59.720 47.814 30.455 1.00 58.57 O ANISOU 1943 O ASP A 415 7333 7379 7540 1080 377 -410 O ATOM 1944 CB ASP A 415 58.327 47.095 33.093 1.00 24.69 C ANISOU 1944 CB ASP A 415 3275 3026 3081 1112 34 -445 C ATOM 1945 CG ASP A 415 58.093 47.345 34.563 1.00 24.82 C ANISOU 1945 CG ASP A 415 3269 3065 3096 1156 -128 -477 C ATOM 1946 OD1 ASP A 415 58.819 48.159 35.177 1.00 29.33 O ANISOU 1946 OD1 ASP A 415 3617 3716 3813 1196 -213 -555 O ATOM 1947 OD2 ASP A 415 57.145 46.734 35.097 1.00 26.87 O ANISOU 1947 OD2 ASP A 415 3739 3260 3212 1151 -167 -425 O ATOM 1948 OXT ASP A 415 57.669 48.061 29.954 1.00 44.32 O ANISOU 1948 OXT ASP A 415 5791 5505 5544 861 364 -318 O ATOM 0 H AASP A 415 56.307 48.364 32.412 0.45 20.73 H new ATOM 0 H BASP A 415 56.303 48.369 32.396 0.55 20.73 H new ATOM 0 HA ASP A 415 58.905 49.002 32.599 1.00 24.31 H new ATOM 0 HB2 ASP A 415 57.669 46.461 32.767 1.00 24.69 H new ATOM 0 HB3 ASP A 415 59.198 46.686 32.972 1.00 24.69 H new TER 1953 ASP A 415 ATOM 1954 N LYS B 2 39.970 42.332 23.257 1.00 96.61 N ANISOU 1954 N LYS B 2 14006 8731 13969 -244 434 -700 N ATOM 1955 CA LYS B 2 39.451 41.815 24.535 1.00 89.83 C ANISOU 1955 CA LYS B 2 13141 7596 13394 -514 471 -289 C ATOM 1956 C LYS B 2 38.121 42.459 24.911 1.00 82.01 C ANISOU 1956 C LYS B 2 11924 6902 12335 -981 389 -252 C ATOM 1957 O LYS B 2 37.776 42.604 26.073 1.00 79.01 O ANISOU 1957 O LYS B 2 11371 6681 11967 -1153 435 165 O ATOM 1958 CB LYS B 2 40.479 42.085 25.635 1.00 82.63 C ANISOU 1958 CB LYS B 2 12117 6870 12407 -256 600 234 C ATOM 0 HA LYS B 2 39.298 40.862 24.437 1.00 89.83 H new ATOM 1961 N ASN B 3 37.384 42.848 23.898 1.00 76.12 N ANISOU 1961 N ASN B 3 11154 6281 11488 -1162 267 -690 N ATOM 1962 CA ASN B 3 36.201 43.655 24.065 1.00 60.35 C ANISOU 1962 CA ASN B 3 8891 4710 9328 -1505 185 -707 C ATOM 1963 C ASN B 3 36.570 45.083 24.447 1.00 52.60 C ANISOU 1963 C ASN B 3 7665 4325 7995 -1305 223 -542 C ATOM 1964 O ASN B 3 35.717 45.870 24.771 1.00 44.30 O ANISOU 1964 O ASN B 3 6372 3671 6789 -1495 177 -503 O ATOM 1965 CB ASN B 3 35.296 43.074 25.113 1.00 61.60 C ANISOU 1965 CB ASN B 3 8955 4746 9703 -1891 176 -375 C ATOM 0 H ASN B 3 37.558 42.648 23.080 1.00 76.12 H new ATOM 0 HA ASN B 3 35.732 43.665 23.216 1.00 60.35 H new ATOM 1968 N TYR B 4 37.853 45.381 24.346 1.00 36.77 N ANISOU 1968 N TYR B 4 5721 2372 5878 -916 303 -460 N ATOM 1969 CA TYR B 4 38.380 46.665 24.700 1.00 32.25 C ANISOU 1969 CA TYR B 4 4946 2292 5015 -729 337 -321 C ATOM 1970 C TYR B 4 38.088 47.618 23.567 1.00 30.15 C ANISOU 1970 C TYR B 4 4603 2340 4514 -677 250 -636 C ATOM 1971 O TYR B 4 38.134 47.243 22.436 1.00 31.90 O ANISOU 1971 O TYR B 4 4958 2435 4727 -613 197 -959 O ATOM 1972 CB TYR B 4 39.857 46.541 25.012 1.00 32.08 C ANISOU 1972 CB TYR B 4 4997 2225 4966 -365 447 -118 C ATOM 1973 CG TYR B 4 40.778 47.575 24.432 1.00 29.16 C ANISOU 1973 CG TYR B 4 4537 2223 4318 -96 455 -198 C ATOM 1974 CD1 TYR B 4 41.262 47.452 23.170 1.00 34.76 C ANISOU 1974 CD1 TYR B 4 5368 2893 4946 124 438 -484 C ATOM 1975 CD2 TYR B 4 41.107 48.679 25.141 1.00 36.88 C ANISOU 1975 CD2 TYR B 4 5297 3598 5117 -66 481 16 C ATOM 1976 CE1 TYR B 4 42.106 48.390 22.644 1.00 27.80 C ANISOU 1976 CE1 TYR B 4 4374 2382 3807 347 454 -492 C ATOM 1977 CE2 TYR B 4 41.947 49.615 24.632 1.00 28.42 C ANISOU 1977 CE2 TYR B 4 4139 2828 3832 133 486 -22 C ATOM 1978 CZ TYR B 4 42.461 49.458 23.386 1.00 24.80 C ANISOU 1978 CZ TYR B 4 3787 2341 3295 334 477 -240 C ATOM 1979 OH TYR B 4 43.247 50.398 22.935 1.00 23.34 O ANISOU 1979 OH TYR B 4 3483 2489 2897 496 486 -216 O ATOM 0 H TYR B 4 38.447 44.827 24.064 1.00 36.77 H new ATOM 0 HA TYR B 4 37.961 47.016 25.502 1.00 32.25 H new ATOM 0 HB2 TYR B 4 39.961 46.555 25.976 1.00 32.08 H new ATOM 0 HB3 TYR B 4 40.155 45.670 24.707 1.00 32.08 H new ATOM 0 HD1 TYR B 4 41.016 46.718 22.655 1.00 34.76 H new ATOM 0 HD2 TYR B 4 40.751 48.798 25.992 1.00 36.88 H new ATOM 0 HE1 TYR B 4 42.433 48.292 21.779 1.00 27.80 H new ATOM 0 HE2 TYR B 4 42.170 50.364 25.137 1.00 28.42 H new ATOM 0 HH TYR B 4 43.151 50.469 22.103 1.00 23.34 H new ATOM 1989 N LYS B 5 37.867 48.870 23.908 1.00 26.93 N ANISOU 1989 N LYS B 5 3971 2345 3916 -701 231 -545 N ATOM 1990 CA LYS B 5 37.718 49.925 22.900 1.00 38.08 C ANISOU 1990 CA LYS B 5 5287 4067 5114 -623 157 -745 C ATOM 1991 C LYS B 5 38.423 51.174 23.392 1.00 32.57 C ANISOU 1991 C LYS B 5 4437 3671 4267 -468 199 -547 C ATOM 1992 O LYS B 5 38.429 51.432 24.599 1.00 25.63 O ANISOU 1992 O LYS B 5 3451 2868 3417 -531 244 -331 O ATOM 1993 CB LYS B 5 36.242 50.229 22.638 1.00 26.69 C ANISOU 1993 CB LYS B 5 3712 2778 3650 -890 49 -898 C ATOM 1994 CG LYS B 5 35.437 49.080 22.160 1.00 31.27 C ANISOU 1994 CG LYS B 5 4404 3098 4379 -1120 -16 -1122 C ATOM 1995 CD LYS B 5 35.566 48.907 20.645 1.00 54.18 C ANISOU 1995 CD LYS B 5 7403 6021 7161 -1006 -90 -1478 C ATOM 0 H LYS B 5 37.798 49.142 24.721 1.00 26.93 H new ATOM 0 HA LYS B 5 38.113 49.624 22.067 1.00 38.08 H new ATOM 0 HB2 LYS B 5 35.845 50.565 23.457 1.00 26.69 H new ATOM 0 HB3 LYS B 5 36.185 50.941 21.982 1.00 26.69 H new ATOM 0 HG2 LYS B 5 35.728 48.270 22.607 1.00 31.27 H new ATOM 0 HG3 LYS B 5 34.505 49.214 22.395 1.00 31.27 H new ATOM 2004 N GLN B 6 39.035 51.933 22.480 1.00 21.66 N ANISOU 2004 N GLN B 6 3033 2475 2722 -279 182 -616 N ATOM 2005 CA GLN B 6 39.648 53.216 22.839 1.00 19.23 C ANISOU 2005 CA GLN B 6 2579 2419 2309 -183 202 -447 C ATOM 2006 C GLN B 6 39.254 54.313 21.844 1.00 19.63 C ANISOU 2006 C GLN B 6 2531 2693 2233 -156 120 -535 C ATOM 2007 O GLN B 6 39.246 54.093 20.623 1.00 21.38 O ANISOU 2007 O GLN B 6 2806 2967 2353 -75 82 -683 O ATOM 2008 CB GLN B 6 41.182 53.080 22.927 1.00 19.99 C ANISOU 2008 CB GLN B 6 2719 2524 2352 42 293 -300 C ATOM 2009 CG GLN B 6 41.878 54.365 23.351 1.00 20.95 C ANISOU 2009 CG GLN B 6 2682 2888 2391 84 305 -135 C ATOM 2010 CD GLN B 6 43.298 54.173 23.892 1.00 19.36 C ANISOU 2010 CD GLN B 6 2461 2751 2146 239 396 55 C ATOM 2011 OE1 GLN B 6 43.989 55.159 24.197 1.00 20.67 O ANISOU 2011 OE1 GLN B 6 2491 3117 2247 246 401 173 O ATOM 2012 NE2 GLN B 6 43.786 52.924 23.896 1.00 22.53 N ANISOU 2012 NE2 GLN B 6 2992 2983 2584 377 464 76 N ATOM 0 H GLN B 6 39.106 51.724 21.649 1.00 21.66 H new ATOM 0 HA GLN B 6 39.315 53.474 23.713 1.00 19.23 H new ATOM 0 HB2 GLN B 6 41.402 52.377 23.558 1.00 19.99 H new ATOM 0 HB3 GLN B 6 41.526 52.803 22.063 1.00 19.99 H new ATOM 0 HG2 GLN B 6 41.913 54.966 22.590 1.00 20.95 H new ATOM 0 HG3 GLN B 6 41.341 54.800 24.032 1.00 20.95 H new ATOM 0 HE21 GLN B 6 43.279 52.264 23.679 1.00 22.53 H new ATOM 0 HE22 GLN B 6 44.606 52.783 24.115 1.00 22.53 H new ATOM 2021 N PHE B 7 38.893 55.476 22.385 1.00 16.11 N ANISOU 2021 N PHE B 7 1938 2389 1795 -211 91 -447 N ATOM 2022 CA PHE B 7 38.382 56.625 21.614 1.00 15.74 C ANISOU 2022 CA PHE B 7 1784 2517 1680 -180 12 -468 C ATOM 2023 C PHE B 7 39.076 57.913 22.013 1.00 14.49 C ANISOU 2023 C PHE B 7 1535 2426 1545 -115 26 -303 C ATOM 2024 O PHE B 7 39.349 58.157 23.171 1.00 13.72 O ANISOU 2024 O PHE B 7 1395 2297 1522 -165 64 -245 O ATOM 2025 CB PHE B 7 36.873 56.828 21.829 1.00 16.09 C ANISOU 2025 CB PHE B 7 1725 2626 1764 -321 -63 -572 C ATOM 2026 CG PHE B 7 36.038 55.729 21.266 1.00 17.87 C ANISOU 2026 CG PHE B 7 2002 2819 1968 -441 -109 -756 C ATOM 2027 CD1 PHE B 7 35.606 55.793 19.970 1.00 19.11 C ANISOU 2027 CD1 PHE B 7 2136 3129 1994 -400 -189 -884 C ATOM 2028 CD2 PHE B 7 35.698 54.628 22.028 1.00 18.78 C ANISOU 2028 CD2 PHE B 7 2177 2764 2195 -612 -77 -792 C ATOM 2029 CE1 PHE B 7 34.843 54.769 19.416 1.00 39.30 C ANISOU 2029 CE1 PHE B 7 4732 5672 4528 -542 -248 -1111 C ATOM 2030 CE2 PHE B 7 34.924 53.601 21.486 1.00 26.54 C ANISOU 2030 CE2 PHE B 7 3216 3668 3202 -773 -131 -982 C ATOM 2031 CZ PHE B 7 34.504 53.677 20.184 1.00 37.28 C ANISOU 2031 CZ PHE B 7 4556 5183 4428 -745 -222 -1172 C ATOM 0 H PHE B 7 38.937 55.628 23.230 1.00 16.11 H new ATOM 0 HA PHE B 7 38.560 56.421 20.683 1.00 15.74 H new ATOM 0 HB2 PHE B 7 36.697 56.904 22.780 1.00 16.09 H new ATOM 0 HB3 PHE B 7 36.606 57.668 21.423 1.00 16.09 H new ATOM 0 HD1 PHE B 7 35.826 56.532 19.451 1.00 19.11 H new ATOM 0 HD2 PHE B 7 35.987 54.571 22.910 1.00 18.78 H new ATOM 0 HE1 PHE B 7 34.563 54.822 18.531 1.00 39.30 H new ATOM 0 HE2 PHE B 7 34.694 52.866 22.008 1.00 26.54 H new ATOM 0 HZ PHE B 7 33.991 52.992 19.819 1.00 37.28 H new ATOM 2041 N SER B 8 39.329 58.758 21.017 1.00 14.77 N ANISOU 2041 N SER B 8 1529 2569 1515 -17 -10 -226 N ATOM 2042 CA SER B 8 39.804 60.115 21.251 1.00 16.66 C ANISOU 2042 CA SER B 8 1683 2816 1833 4 -21 -69 C ATOM 2043 C SER B 8 38.597 61.022 21.405 1.00 17.11 C ANISOU 2043 C SER B 8 1651 2862 1987 -19 -99 -118 C ATOM 2044 O SER B 8 37.642 60.950 20.618 1.00 19.72 O ANISOU 2044 O SER B 8 1949 3292 2252 12 -160 -174 O ATOM 2045 CB SER B 8 40.665 60.595 20.071 1.00 19.51 C ANISOU 2045 CB SER B 8 2024 3298 2090 112 -17 108 C ATOM 2046 OG SER B 8 41.793 59.776 19.876 1.00 19.05 O ANISOU 2046 OG SER B 8 2021 3303 1916 180 62 141 O ATOM 0 H SER B 8 39.229 58.559 20.186 1.00 14.77 H new ATOM 0 HA SER B 8 40.349 60.136 22.053 1.00 16.66 H new ATOM 0 HB2 SER B 8 40.129 60.604 19.263 1.00 19.51 H new ATOM 0 HB3 SER B 8 40.952 61.508 20.231 1.00 19.51 H new ATOM 0 HG SER B 8 42.483 60.254 19.834 1.00 19.05 H new ATOM 2052 N VAL B 9 38.612 61.876 22.415 1.00 15.30 N ANISOU 2052 N VAL B 9 1367 2543 1904 -56 -102 -120 N ATOM 2053 CA VAL B 9 37.540 62.824 22.601 1.00 18.07 C ANISOU 2053 CA VAL B 9 1632 2868 2366 -21 -169 -182 C ATOM 2054 C VAL B 9 38.118 64.253 22.711 1.00 18.68 C ANISOU 2054 C VAL B 9 1686 2786 2624 17 -193 -73 C ATOM 2055 O VAL B 9 37.327 65.206 22.710 1.00 19.25 O ANISOU 2055 O VAL B 9 1704 2779 2831 100 -253 -99 O ATOM 2056 CB VAL B 9 36.665 62.461 23.833 1.00 16.47 C ANISOU 2056 CB VAL B 9 1366 2713 2181 -94 -158 -373 C ATOM 2057 CG1 VAL B 9 36.029 61.088 23.693 1.00 17.47 C ANISOU 2057 CG1 VAL B 9 1511 2945 2182 -181 -143 -445 C ATOM 2058 CG2 VAL B 9 37.484 62.481 25.088 1.00 14.86 C ANISOU 2058 CG2 VAL B 9 1157 2474 2014 -165 -100 -407 C ATOM 2059 OXT VAL B 9 39.337 64.521 22.782 1.00 19.93 O ANISOU 2059 OXT VAL B 9 1873 2880 2819 -34 -161 44 O ATOM 0 H VAL B 9 39.238 61.920 23.004 1.00 15.30 H new ATOM 0 HA VAL B 9 36.957 62.788 21.827 1.00 18.07 H new ATOM 0 HB VAL B 9 35.963 63.128 23.881 1.00 16.47 H new ATOM 0 HG11 VAL B 9 35.493 60.898 24.479 1.00 17.47 H new ATOM 0 HG12 VAL B 9 35.464 61.072 22.905 1.00 17.47 H new ATOM 0 HG13 VAL B 9 36.724 60.417 23.606 1.00 17.47 H new ATOM 0 HG21 VAL B 9 36.922 62.252 25.845 1.00 14.86 H new ATOM 0 HG22 VAL B 9 38.205 61.836 25.015 1.00 14.86 H new ATOM 0 HG23 VAL B 9 37.856 63.367 25.218 1.00 14.86 H new TER 2069 VAL B 9 HETATM 2070 C1 GOL A 501 49.895 58.926 35.611 1.00 41.57 C HETATM 2071 O1 GOL A 501 48.687 59.122 36.292 1.00 26.67 O HETATM 2072 C2 GOL A 501 50.900 58.658 36.718 1.00 44.49 C HETATM 2073 O2 GOL A 501 50.376 57.553 37.400 1.00 21.42 O HETATM 2074 C3 GOL A 501 52.288 58.371 36.174 1.00 61.31 C HETATM 2075 O3 GOL A 501 52.180 57.561 35.028 1.00 78.69 O HETATM 0 HO3 GOL A 501 52.467 56.791 35.201 1.00 78.69 H new HETATM 0 HO2 GOL A 501 49.566 57.689 37.574 1.00 21.42 H new HETATM 0 HO1 GOL A 501 48.084 58.661 35.932 1.00 26.67 H new HETATM 0 H32 GOL A 501 52.739 59.201 35.955 1.00 61.31 H new HETATM 0 H31 GOL A 501 52.825 57.926 36.848 1.00 61.31 H new HETATM 0 H2 GOL A 501 51.017 59.429 37.295 1.00 44.49 H new HETATM 0 H12 GOL A 501 49.838 58.180 34.994 1.00 41.57 H new HETATM 0 H11 GOL A 501 50.140 59.707 35.090 1.00 41.57 H new HETATM 2084 C1 GOL A 502 51.055 47.032 43.560 1.00 61.92 C HETATM 2085 O1 GOL A 502 49.886 47.754 43.240 1.00 61.02 O HETATM 2086 C2 GOL A 502 51.362 47.119 45.048 1.00 67.88 C HETATM 2087 O2 GOL A 502 50.156 47.118 45.782 1.00 76.58 O HETATM 2088 C3 GOL A 502 52.197 48.366 45.341 1.00 68.97 C HETATM 2089 O3 GOL A 502 52.581 48.370 46.702 1.00 76.48 O HETATM 0 HO3 GOL A 502 53.041 49.055 46.862 1.00 76.48 H new HETATM 0 HO2 GOL A 502 50.327 47.165 46.603 1.00 76.58 H new HETATM 0 HO1 GOL A 502 49.388 47.794 43.915 1.00 61.02 H new HETATM 0 H32 GOL A 502 52.983 48.381 44.773 1.00 68.97 H new HETATM 0 H31 GOL A 502 51.685 49.164 45.137 1.00 68.97 H new HETATM 0 H2 GOL A 502 51.882 46.346 45.319 1.00 67.88 H new HETATM 0 H12 GOL A 502 50.946 46.103 43.303 1.00 61.92 H new HETATM 0 H11 GOL A 502 51.804 47.381 43.051 1.00 61.92 H new HETATM 2098 O HOH A 601 41.857 50.848 42.278 1.00 48.21 O HETATM 2099 O HOH A 602 39.151 74.327 34.732 1.00 37.34 O HETATM 2100 O HOH A 603 27.870 51.422 23.230 1.00 36.08 O HETATM 2101 O HOH A 604 29.015 62.406 39.287 1.00 31.51 O HETATM 2102 O HOH A 605 32.002 51.415 32.270 1.00 34.91 O HETATM 2103 O HOH A 606 38.653 72.570 36.933 1.00 21.06 O HETATM 2104 O HOH A 607 48.393 49.747 44.354 1.00 26.43 O HETATM 2105 O HOH A 608 43.597 62.355 22.647 1.00 16.71 O HETATM 2106 O HOH A 609 45.153 75.011 34.274 1.00 23.96 O HETATM 2107 O HOH A 610 32.114 77.086 20.603 1.00 22.45 O HETATM 2108 O HOH A 611 52.741 54.218 29.424 1.00 34.70 O HETATM 2109 O HOH A 612 60.829 49.646 34.516 1.00 44.29 O HETATM 2110 O HOH A 613 44.816 74.018 36.814 1.00 36.32 O HETATM 2111 O HOH A 614 41.090 60.882 42.657 1.00 10.80 O HETATM 2112 O HOH A 615 26.872 64.921 26.959 1.00 34.46 O HETATM 2113 O HOH A 616 49.425 63.809 48.514 1.00 38.42 O HETATM 2114 O HOH A 617 29.583 79.953 21.686 1.00 24.15 O HETATM 2115 O HOH A 618 47.883 74.596 23.315 1.00 26.70 O HETATM 2116 O HOH A 619 44.768 67.741 26.378 1.00 10.86 O HETATM 2117 O HOH A 620 48.054 67.830 32.449 1.00 28.49 O HETATM 2118 O HOH A 621 50.246 51.572 45.494 1.00 39.83 O HETATM 2119 O HOH A 622 29.224 69.083 39.749 1.00 38.24 O HETATM 2120 O HOH A 623 33.400 55.189 34.314 1.00 12.80 O HETATM 2121 O HOH A 624 55.688 44.668 34.185 1.00 29.11 O HETATM 2122 O HOH A 625 36.592 59.557 18.513 1.00 36.24 O HETATM 2123 O HOH A 626 51.732 50.961 26.456 1.00 14.49 O HETATM 2124 O HOH A 627 40.154 56.098 43.887 1.00 11.14 O HETATM 2125 O HOH A 628 51.899 69.072 28.820 1.00 24.35 O HETATM 2126 O HOH A 629 35.283 53.365 44.555 1.00 33.18 O HETATM 2127 O HOH A 630 50.668 72.251 28.433 1.00 33.56 O HETATM 2128 O HOH A 631 36.155 64.131 47.130 1.00 28.64 O HETATM 2129 O HOH A 632 47.620 57.129 45.495 1.00 32.61 O HETATM 2130 O HOH A 633 39.819 69.599 40.199 1.00 30.20 O HETATM 2131 O HOH A 634 25.671 59.079 25.318 1.00 26.24 O HETATM 2132 O HOH A 635 29.310 71.981 32.448 1.00 28.14 O HETATM 2133 O HOH A 636 45.597 42.585 31.948 1.00 32.76 O HETATM 2134 O HOH A 637 53.314 48.925 27.286 1.00 29.31 O HETATM 2135 O HOH A 638 36.060 76.675 19.593 1.00 23.12 O HETATM 2136 O HOH A 639 43.927 62.813 42.121 1.00 20.45 O HETATM 2137 O HOH A 640 54.540 47.883 41.435 1.00 17.59 O HETATM 2138 O HOH A 641 25.605 53.817 36.241 1.00 27.55 O HETATM 2139 O HOH A 642 49.370 45.388 32.854 1.00 26.78 O HETATM 2140 O HOH A 643 30.084 73.166 36.449 1.00 30.89 O HETATM 2141 O HOH A 644 26.525 52.972 21.274 1.00 30.46 O HETATM 2142 O HOH A 645 58.403 53.380 40.990 1.00 38.81 O HETATM 2143 O AHOH A 646 39.484 74.694 30.656 0.51 32.88 O HETATM 2144 O BHOH A 646 40.914 73.823 29.806 0.49 32.88 O HETATM 2145 O HOH A 647 39.722 74.969 22.603 1.00 33.09 O HETATM 2146 O HOH A 648 29.851 69.304 22.371 1.00 19.34 O HETATM 2147 O HOH A 649 41.669 67.236 39.992 1.00 23.66 O HETATM 2148 O HOH A 650 60.721 64.674 48.633 1.00 38.68 O HETATM 2149 O HOH A 651 26.618 54.691 33.908 1.00 22.38 O HETATM 2150 O HOH A 652 45.267 67.573 33.006 1.00 25.46 O HETATM 2151 O HOH A 653 33.335 50.408 29.617 1.00 36.31 O HETATM 2152 O HOH A 654 56.655 54.260 33.533 1.00 27.70 O HETATM 2153 O HOH A 655 30.339 72.635 19.980 1.00 21.16 O HETATM 2154 O HOH A 656 29.523 65.625 36.005 1.00 13.60 O HETATM 2155 O HOH A 657 42.161 55.984 19.768 0.50 28.11 O HETATM 2156 O HOH A 658 44.034 73.720 23.491 1.00 40.56 O HETATM 2157 O HOH A 659 48.920 61.509 33.021 1.00 25.08 O HETATM 2158 O HOH A 660 51.751 61.400 50.693 1.00 38.27 O HETATM 2159 O HOH A 661 43.564 59.705 48.873 0.96 25.37 O HETATM 2160 O HOH A 662 50.326 46.879 40.320 1.00 23.53 O HETATM 2161 O HOH A 663 27.062 79.466 23.183 1.00 37.76 O HETATM 2162 O HOH A 664 48.818 53.967 46.357 1.00 32.57 O HETATM 2163 O HOH A 665 32.613 51.478 37.622 1.00 29.65 O HETATM 2164 O HOH A 666 41.105 75.375 27.352 1.00 35.37 O HETATM 2165 O HOH A 667 34.454 77.221 26.290 1.00 44.67 O HETATM 2166 O HOH A 668 27.565 74.448 24.644 1.00 43.28 O HETATM 2167 O HOH A 669 41.358 53.994 45.084 1.00 18.71 O HETATM 2168 O HOH A 670 25.720 67.534 28.439 1.00 37.82 O HETATM 2169 O HOH A 671 27.234 70.295 33.794 1.00 46.48 O HETATM 2170 O HOH A 672 40.688 73.723 33.560 1.00 43.89 O HETATM 2171 O HOH A 673 45.483 77.204 30.829 1.00 36.14 O HETATM 2172 O HOH A 674 27.045 62.530 17.742 0.33 37.97 O HETATM 2173 O HOH A 675 55.507 46.907 26.256 1.00 46.17 O HETATM 2174 O HOH A 676 28.497 75.300 27.600 1.00 33.71 O HETATM 2175 O HOH A 677 38.496 76.619 34.447 1.00 42.22 O HETATM 2176 O HOH A 678 31.188 71.214 21.969 1.00 41.86 O HETATM 2177 O HOH A 679 22.298 65.400 34.166 1.00 43.84 O HETATM 2178 O HOH A 680 40.268 51.649 44.682 1.00 20.88 O HETATM 2179 O HOH A 681 33.854 79.261 22.044 1.00 35.88 O HETATM 2180 O HOH A 682 57.156 49.951 43.227 1.00 37.57 O HETATM 2181 O HOH A 683 43.432 65.225 49.390 1.00 50.29 O HETATM 2182 O HOH A 684 27.923 69.234 20.085 1.00 35.08 O HETATM 2183 O HOH A 685 41.981 47.759 43.508 1.00 40.93 O HETATM 2184 O HOH A 686 28.473 67.369 37.835 1.00 26.04 O HETATM 2185 O HOH A 687 44.455 65.471 42.544 1.00 35.74 O HETATM 2186 O HOH A 688 27.190 69.493 35.968 1.00 38.96 O HETATM 2187 O HOH A 689 31.846 57.938 18.096 1.00 58.87 O HETATM 2188 O HOH A 690 27.015 65.147 39.209 1.00 47.49 O HETATM 2189 O HOH A 691 46.685 45.645 41.129 1.00 46.99 O HETATM 2190 O HOH A 692 26.660 73.063 22.515 1.00 35.50 O HETATM 2191 O HOH B 101 46.515 55.984 24.122 0.50 22.04 O HETATM 2192 O HOH B 102 34.838 66.187 21.994 1.00 16.64 O HETATM 2193 O HOH B 103 41.734 63.841 21.510 1.00 16.13 O HETATM 2194 O HOH B 104 39.514 50.659 19.923 1.00 34.44 O HETATM 2195 O HOH B 105 38.836 57.766 18.261 1.00 29.46 O HETATM 2196 O HOH B 106 38.363 63.841 18.772 1.00 48.07 O CONECT 2070 2071 2072 2076 2077 CONECT 2071 2070 2078 CONECT 2072 2070 2073 2074 2079 CONECT 2073 2072 2080 CONECT 2074 2072 2075 2081 2082 CONECT 2075 2074 2083 CONECT 2076 2070 CONECT 2077 2070 CONECT 2078 2071 CONECT 2079 2072 CONECT 2080 2073 CONECT 2081 2074 CONECT 2082 2074 CONECT 2083 2075 CONECT 2084 2085 2086 2090 2091 CONECT 2085 2084 2092 CONECT 2086 2084 2087 2088 2093 CONECT 2087 2086 2094 CONECT 2088 2086 2089 2095 2096 CONECT 2089 2088 2097 CONECT 2090 2084 CONECT 2091 2084 CONECT 2092 2085 CONECT 2093 2086 CONECT 2094 2087 CONECT 2095 2088 CONECT 2096 2088 CONECT 2097 2089 END